A0A087XLI5_POEFO Loading...

Leucine rich repeat and fibronectin type III domain containing 5

AlphaFold DB , UniProt , Accession A0A087XLI5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 847 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
1M57Low63.5Low204 Ų204124 Ų124100%1.00564%0.638SS**  0-65.80-62.7-53.5-92.400111.9R3 L4 L5M1-R3 PolarHBondContact O-N 2.84Å; M1-L4 WeakPolarHBondContact O-CA 3.4Å; M1-L4 VanDerWaalsContact O-CB 3.26Å; M1-L4 WeakPolarHBondContact O-CB 3.07Å; M1-L4 PolarHBondContact O-N 2.8Å; M1-L5 PolarHBondContact O-N 3.45Å; M1-L5 VanDerWaalsContact O-N 3.14Å
2E63.1Low62.9Low165 Ų165121.3 Ų121.377%0.77163%0.631SS**Hα-helixtrans-52.4-47.4-169.8-60.3168.8146.100115.4L4 L5 L6E2-L4 PolarHBondContact O-N 3.11Å; E2-L5 WeakPolarHBondContact O-CB 3.43Å; E2-L5 PolarHBondContact O-N 3.15Å; E2-L5 VanDerWaalsContact O-N 3.1Å; E2-L6 WeakPolarHBondContact O-CB 3.34Å; E2-L6 PolarHBondContact O-N 2.85Å
3R63.7Low62.1Low223 Ų223117.2 Ų117.284%0.84262%0.619SS**Hα-helixtrans-59.7-31.3176.2-68.8-171.1-180-1670.1113.3M1 C7M1-R3 PolarHBondContact O-N 2.84Å; R3-C7 WeakPolarHBondContact O-CB 3.29Å; R3-C7 PolarHBondContact O-N 3.12Å; R3-C7 PolarHBondContact O-SG 2.85Å
4L64.6Low61.2Low128 Ų128120.2 Ų120.267%0.6763%0.631SS**Hα-helixtrans-72.1-43.4175.4-159.379.9000110.6M1 E2 L6 C7 V8M1-L4 WeakPolarHBondContact O-CA 3.4Å; M1-L4 VanDerWaalsContact O-CB 3.26Å; M1-L4 WeakPolarHBondContact O-CB 3.07Å; M1-L4 PolarHBondContact O-N 2.8Å; E2-L4 PolarHBondContact O-N 3.11Å; L4-L6 VanDerWaalsContact C-N 3.32Å; L4-L6 PolarHBondContact O-N 3.02Å; L4-C7 PolarHBondContact O-N 2.85Å; L4-V8 WeakPolarHBondContact O-CB 3.28Å; L4-V8 WeakPolarHBondContact O-CG2 2.96Å; L4-V8 PolarHBondContact O-N 3.33Å
5L67.6Low60.1Low111 Ų111117.1 Ų117.158%0.58163%0.629SS**Hα-helixtrans-60.4-42175.1-175.766.5000111.4M1 E2 V8 I9M1-L5 PolarHBondContact O-N 3.45Å; M1-L5 VanDerWaalsContact O-N 3.14Å; E2-L5 WeakPolarHBondContact O-CB 3.43Å; E2-L5 PolarHBondContact O-N 3.15Å; E2-L5 VanDerWaalsContact O-N 3.1Å; L5-V8 PolarHBondContact O-N 2.93Å; L5-I9 HydrophobicContact CD1-CD1 4.35Å; L5-I9 HydrophobicContact CG-CD1 3.98Å; L5-I9 WeakPolarHBondContact O-CB 3.09Å; L5-I9 VanDerWaalsContact O-CG1 3.3Å; L5-I9 WeakPolarHBondContact O-CG1 3.23Å; L5-I9 PolarHBondContact O-N 2.86Å
6L65.9Low59.5Low113 Ų113116.5 Ų116.559%0.59263%0.631SS**Hα-helixtrans-69.5-38.8179.7-148.1153.4000111.6E2 L4 I9 L10E2-L6 WeakPolarHBondContact O-CB 3.34Å; E2-L6 PolarHBondContact O-N 2.85Å; L4-L6 VanDerWaalsContact C-N 3.32Å; L4-L6 PolarHBondContact O-N 3.02Å; L6-I9 PolarHBondContact O-N 2.95Å; L6-L10 HydrophobicContact CD2-CD1 3.79Å; L6-L10 HydrophobicContact CD2-CG 4.33Å; L6-L10 WeakPolarHBondContact O-CB 3.22Å; L6-L10 WeakPolarHBondContact O-CG 3.33Å; L6-L10 PolarHBondContact O-N 2.86Å
7C64.8Low59.2Low79 Ų79121.4 Ų121.453%0.53464%0.638SS.*Hα-helixtrans-65-36.9169.5-72.70000113R3 L4 A11R3-C7 WeakPolarHBondContact O-CB 3.29Å; R3-C7 PolarHBondContact O-N 3.12Å; R3-C7 PolarHBondContact O-SG 2.85Å; L4-C7 PolarHBondContact O-N 2.85Å; C7-A11 VanDerWaalsContact O-CB 3.28Å; C7-A11 WeakPolarHBondContact O-CB 3.33Å; C7-A11 PolarHBondContact O-N 3.19Å
8V68.1Low59.2Low78 Ų78119.6 Ų119.647%0.47364%0.643SS.*Hα-helixtrans-68.8-41.4175168.30000111.1L4 L5 A11 V12L4-V8 WeakPolarHBondContact O-CB 3.28Å; L4-V8 WeakPolarHBondContact O-CG2 2.96Å; L4-V8 PolarHBondContact O-N 3.33Å; L5-V8 PolarHBondContact O-N 2.93Å; V8-A11 PolarHBondContact O-N 3.06Å; V8-V12 HydrophobicContact CG1-CG2 4.29Å; V8-V12 WeakPolarHBondContact O-CB 3.12Å; V8-V12 VanDerWaalsContact O-CG2 3.27Å; V8-V12 WeakPolarHBondContact O-CG2 3.29Å; V8-V12 PolarHBondContact O-N 2.9Å
9I65.4Low59.8Low104 Ų104118.8 Ų118.853%0.53364%0.635SS.*Hα-helixtrans-63.7-42.2175-70.6166.8000110.6L5 L6 V12 S13L5-I9 HydrophobicContact CD1-CD1 4.35Å; L5-I9 HydrophobicContact CG-CD1 3.98Å; L5-I9 WeakPolarHBondContact O-CB 3.09Å; L5-I9 VanDerWaalsContact O-CG1 3.3Å; L5-I9 WeakPolarHBondContact O-CG1 3.23Å; L5-I9 PolarHBondContact O-N 2.86Å; L6-I9 PolarHBondContact O-N 2.95Å; I9-V12 PolarHBondContact O-N 2.88Å; I9-S13 WeakPolarHBondContact O-CB 3.48Å; I9-S13 PolarHBondContact O-N 3.5Å; I9-S13 PolarHBondContact O-OG 3.43Å
10L60.2Low60.9Low98 Ų98117.6 Ų117.651%0.51363%0.628SS.*Hα-helixtrans-62.3-45.9172.7-78.3167.4000111.8L6 V12 S13 M14L6-L10 HydrophobicContact CD2-CD1 3.79Å; L6-L10 HydrophobicContact CD2-CG 4.33Å; L6-L10 WeakPolarHBondContact O-CB 3.22Å; L6-L10 WeakPolarHBondContact O-CG 3.33Å; L6-L10 PolarHBondContact O-N 2.86Å; L10-V12 PolarHBondContact O-N 3.03Å; L10-S13 WeakPolarHBondContact CA-OG 3.43Å; L10-S13 PolarHBondContact O-N 3.18Å; L10-S13 PolarHBondContact O-OG 2.87Å; L10-M14 WeakPolarHBondContact O-CB 3.44Å; L10-M14 VanDerWaalsContact O-CG 3.22Å; L10-M14 WeakPolarHBondContact O-CG 3.39Å; L10-M14 PolarHBondContact O-N 3.17Å
11A57.8Low62.3Low61 Ų61114.2 Ų114.250%0.50461%0.613SS.*Hα-helixtrans-62.4-39.2176.700000112.7C7 V8 M14 A15C7-A11 VanDerWaalsContact O-CB 3.28Å; C7-A11 WeakPolarHBondContact O-CB 3.33Å; C7-A11 PolarHBondContact O-N 3.19Å; V8-A11 PolarHBondContact O-N 3.06Å; A11-M14 CarbonylContact O-C 3.59Å; A11-M14 PolarHBondContact O-N 3.45Å; A11-A15 VanDerWaalsContact O-CB 3.3Å; A11-A15 WeakPolarHBondContact O-CB 3.25Å; A11-A15 PolarHBondContact O-N 2.65Å
12V56.9Low64Low91 Ų91104.8 Ų104.855%0.55257%0.567SS**Hα-helixtrans-70.2-40.7176.5169.40000111.3V8 I9 L10 M14 A15 V16V8-V12 HydrophobicContact CG1-CG2 4.29Å; V8-V12 WeakPolarHBondContact O-CB 3.12Å; V8-V12 VanDerWaalsContact O-CG2 3.27Å; V8-V12 WeakPolarHBondContact O-CG2 3.29Å; V8-V12 PolarHBondContact O-N 2.9Å; I9-V12 PolarHBondContact O-N 2.88Å; L10-V12 PolarHBondContact O-N 3.03Å; V12-M14 VanDerWaalsContact C-N 3.31Å; V12-M14 PolarHBondContact O-N 2.79Å; V12-A15 WeakPolarHBondContact O-CB 3.13Å; V12-A15 PolarHBondContact O-N 2.93Å; V12-A15 VanDerWaalsContact O-N 3.11Å; V12-V16 PolarHBondContact O-N 3.05Å
13S52.7Low65.2Low68 Ų68107 Ų10748%0.47657%0.574SS.*Hα-helixtrans-65.9-32.9173.666.10000112.9I9 L10 A15I9-S13 WeakPolarHBondContact O-CB 3.48Å; I9-S13 PolarHBondContact O-N 3.5Å; I9-S13 PolarHBondContact O-OG 3.43Å; L10-S13 WeakPolarHBondContact CA-OG 3.43Å; L10-S13 PolarHBondContact O-N 3.18Å; L10-S13 PolarHBondContact O-OG 2.87Å; S13-A15 VanDerWaalsContact C-N 3.34Å
14M49.6Very low66.5Low160 Ų160104.3 Ų104.379%0.78856%0.564SS**Hα-helixtrans-76.9-19.4172-68-74.6-77.900112.7L10 A11 V12L10-M14 WeakPolarHBondContact O-CB 3.44Å; L10-M14 VanDerWaalsContact O-CG 3.22Å; L10-M14 WeakPolarHBondContact O-CG 3.39Å; L10-M14 PolarHBondContact O-N 3.17Å; A11-M14 CarbonylContact O-C 3.59Å; A11-M14 PolarHBondContact O-N 3.45Å; V12-M14 VanDerWaalsContact C-N 3.31Å; V12-M14 PolarHBondContact O-N 2.79Å
15A45.1Very low67.9Low73 Ų7398.9 Ų98.960%0.60354%0.536SS*.Hα-helixtrans-81-18.5174.700000113A11 V12 S13 R17A11-A15 VanDerWaalsContact O-CB 3.3Å; A11-A15 WeakPolarHBondContact O-CB 3.25Å; A11-A15 PolarHBondContact O-N 2.65Å; V12-A15 WeakPolarHBondContact O-CB 3.13Å; V12-A15 PolarHBondContact O-N 2.93Å; V12-A15 VanDerWaalsContact O-N 3.11Å; S13-A15 VanDerWaalsContact C-N 3.34Å; A15-R17 VanDerWaalsContact C-N 3.25Å; A15-R17 PolarHBondContact O-N 3.16Å
16V49.2Very low69.1Low108 Ų10897 Ų9766%0.65553%0.53SS*.SBendtrans-72.384.6165.5-175.10000108.5V12 A18V12-V16 PolarHBondContact O-N 3.05Å; V16-A18 PolarHBondContact O-N 2.99Å
17R54.7Low70.4Confident199 Ų19993.4 Ų93.475%0.75151%0.513SS*.  trans-54.7111.1168.4-75.8-175.5175.3-179.6-1.4108.6A15 Q19A15-R17 VanDerWaalsContact C-N 3.25Å; A15-R17 PolarHBondContact O-N 3.16Å; R17-Q19 PolarHBondContact O-N 3.13Å
18A59.8Low71.6Confident89 Ų8993.8 Ų93.874%0.73651%0.507SS*.  trans-59.5110.3177.100000109.7V16 I20V16-A18 PolarHBondContact O-N 2.99Å; A18-I20 PolarHBondContact O-N 3.16Å
19Q70.2Confident72.5Confident106 Ų10694.6 Ų94.650%0.49551%0.508SS..  trans-66.4132.1-175.3-69.5177.8-13.900110.7R17 C21 I29R17-Q19 PolarHBondContact O-N 3.13Å; Q19-C21 PolarHBondContact O-N 3.44Å; Q19-C21 VanDerWaalsContact O-N 3.1Å; Q19-I29 VanDerWaalsContact OE1-CD1 3.32Å
20I82.5Confident73.1Confident94 Ų9495.2 Ų95.248%0.48251%0.512SS..  trans-89.888.6-165.6-53.6174.1000109.3A18 N49 D51A18-I20 PolarHBondContact O-N 3.16Å; I20-N49 HydrophobicContact CG2-CB 4.06Å; I20-D51 HydrophobicContact CB-CB 4.31Å; I20-D51 PolarHBondContact N-OD2 2.8Å; I20-D51 PolarHBondContact O-N 3.4Å; I20-D51 VanDerWaalsContact O-N 3.16Å
21C89.6Confident73.6Confident47 Ų4795.7 Ų95.732%0.31852%0.523SS..  trans-96.8134.3179.2-159.80000112.8Q19 C27 N49Q19-C21 PolarHBondContact O-N 3.44Å; Q19-C21 VanDerWaalsContact O-N 3.1Å; C21-C27 WeakPolarHBondContact CA-SG 3.28Å; C21-C27 HydrophobicContact CB-CB 3.88Å; C21-C27 WeakPolarHBondContact CB-SG 3.31Å; C21-C27 WeakPolarHBondContact SG-CB 3.17Å; C21-C27 PolarHBondContact SG-N 2.83Å; C21-C27 VanDerWaalsContact SG-N 3.4Å; C21-C27 CovalentContact SG-SG 2.04Å; C21-C27 PolarHBondContact SG-SG 2.82Å; C21-N49 PolarHBondContact O-ND2 2.97Å
22P92.8Very high74.3Confident5 Ų598.6 Ų98.63%0.03254%0.537CS..  trans-66.7136172.4-18.229.3000112.8R24 C25 T36 P47 N49 I50P22-R24 PolarHBondContact O-N 3.32Å; P22-C25 HydrophobicContact CB-CB 4.11Å; P22-C25 HydrophobicContact CG-CB 4.27Å; P22-C25 PolarHBondContact O-N 2.81Å; P22-T36 HydrophobicContact CG-CG2 4.47Å; P22-P47 HydrophobicContact CB-CB 3.75Å; P22-P47 HydrophobicContact CB-CG 4.25Å; P22-P47 HydrophobicContact CG-CB 3.86Å; P22-P47 HydrophobicContact CG-CG 4.42Å; P22-N49 WeakPolarHBondContact CD-O 3.46Å; P22-N49 WeakPolarHBondContact CG-O 3.26Å; P22-I50 HydrophobicContact CG-CG1 3.8Å
23K88.6Confident75.7Confident212 Ų21298.1 Ų98.192%0.92253%0.531SS*.THydrogen-bonded Turntrans-54.6-16.7-174-67-173.3178.8-174.50116.8
24R90.8Very high77.4Confident166 Ų16695.7 Ų95.763%0.62651%0.513SS*.THydrogen-bonded Turntrans-107.5-8.9179.1-68.6-174.9174.5-132.5-2.5113.6P22 K41 L43P22-R24 PolarHBondContact O-N 3.32Å; R24-K41 HydrophobicContact CB-CB 4.46Å; R24-K41 WeakPolarHBondContact O-CD 3.3Å; R24-K41 WeakPolarHBondContact O-CE 3.31Å; R24-K41 WeakPolarHBondContact O-CG 3.32Å; R24-L43 HydrophobicContact CB-CD2 4.39Å
25C94.3Very high79.5Confident14 Ų1488.4 Ų88.410%0.09548%0.478CS..SBendtrans-103.3166.5-175-53.50000110.9P22 T36 L37 C38P22-C25 HydrophobicContact CB-CB 4.11Å; P22-C25 HydrophobicContact CG-CB 4.27Å; P22-C25 PolarHBondContact O-N 2.81Å; C25-T36 HydrophobicContact CB-CG2 4.48Å; C25-L37 WeakPolarHBondContact CA-O 3.49Å; C25-L37 WeakPolarHBondContact CB-O 3.26Å; C25-C38 HydrophobicContact CB-CB 4.04Å; C25-C38 WeakPolarHBondContact CB-SG 3.49Å; C25-C38 WeakPolarHBondContact SG-CA 3.23Å; C25-C38 WeakPolarHBondContact SG-CB 3.43Å; C25-C38 CovalentContact SG-SG 2.03Å; C25-C38 PolarHBondContact SG-SG 2.84Å
26V93.3Very high81.9Confident73 Ų7385 Ų8544%0.44245%0.45SS..EExtended strand (participates in β ladder)trans-113.3123.6172.9-178.40000107.5Q28 L37V26-Q28 HydrophobicContact CG1-CG 4.18Å; V26-L37 PolarHBondContact N-O 3.04Å; V26-L37 WeakPolarHBondContact O-CA 3.07Å; V26-L37 WeakPolarHBondContact O-CB 3.07Å; V26-L37 PolarHBondContact O-N 3Å
27C92.6Very high84.1Confident37 Ų3781.8 Ų81.825%0.2543%0.429CS..EExtended strand (participates in β ladder)trans-103.7129.9176.4-54.90000109.1C21 A35C21-C27 WeakPolarHBondContact CA-SG 3.28Å; C21-C27 HydrophobicContact CB-CB 3.88Å; C21-C27 WeakPolarHBondContact CB-SG 3.31Å; C21-C27 WeakPolarHBondContact SG-CB 3.17Å; C21-C27 PolarHBondContact SG-N 2.83Å; C21-C27 VanDerWaalsContact SG-N 3.4Å; C21-C27 CovalentContact SG-SG 2.04Å; C21-C27 PolarHBondContact SG-SG 2.82Å; C27-A35 CarbonylContact C-O 3.19Å; C27-A35 WeakPolarHBondContact CA-O 3.43Å
28Q90.4Very high86.1Confident87 Ų8772.3 Ų72.341%0.40739%0.393SS..EExtended strand (participates in β ladder)trans-122.3136.4-175.4-65.7-175.7-20.500110.2V26 L30 A35 L37V26-Q28 HydrophobicContact CG1-CG 4.18Å; Q28-L30 HydrophobicContact CB-CD1 3.99Å; Q28-A35 PolarHBondContact N-O 2.88Å; Q28-A35 PolarHBondContact O-N 2.62Å; Q28-L37 HydrophobicContact CG-CD1 4.29Å
29I86.4Confident87.7Confident94 Ų9469.7 Ų69.748%0.48237%0.372SS..EExtended strand (participates in β ladder)trans-104.3105.3173.9-43.4166.8000107.5Q19 L34Q19-I29 VanDerWaalsContact OE1-CD1 3.32Å; I29-L34 HydrophobicContact CG1-CD1 4.41Å
30L77.1Confident89Confident118 Ų11872.1 Ų72.162%0.61838%0.38SS*.EExtended strand (participates in β ladder)trans-106.880.5167.5-84.272000106.5Q28 N33Q28-L30 HydrophobicContact CB-CD1 3.99Å; L30-N33 CarbonylContact C-O 3.53Å; L30-N33 PolarHBondContact N-O 2.83Å; L30-N33 PolarHBondContact O-N 2.82Å
31S70.4Confident89.6Confident108 Ų10871.6 Ų71.676%0.75538%0.375SS*.THydrogen-bonded Turntrans-42.4121.7-169.6-63.20000112.8
32P74.5Confident89.8Confident121 Ų12171 Ų7179%0.78638%0.376SS*.THydrogen-bonded Turncis-90.4-0.413.636.3-37.1000116
33N85.3Confident90Very high81 Ų8171.6 Ų71.643%0.43338%0.379SS..EExtended strand (participates in β ladder)trans-89.7140.8-167.7-64.9-17.9000113.1L30 V55L30-N33 CarbonylContact C-O 3.53Å; L30-N33 PolarHBondContact N-O 2.83Å; L30-N33 PolarHBondContact O-N 2.82Å; N33-V55 HydrophobicContact CB-CB 4.26Å; N33-V55 HydrophobicContact CB-CG1 4.43Å; N33-V55 HydrophobicContact CB-CG2 4.3Å
34L89.1Confident90.3Very high17 Ų1767 Ų679%0.08936%0.364CS..EExtended strand (participates in β ladder)trans-105.9118170.7176.663.9000109.2I29 D51 T54 V55 E56I29-L34 HydrophobicContact CG1-CD1 4.41Å; L34-D51 HydrophobicContact CD2-CB 3.84Å; L34-T54 WeakPolarHBondContact O-CA 3.38Å; L34-V55 PolarHBondContact O-N 2.82Å; L34-E56 PolarHBondContact O-N 2.93Å
35A93.4Very high90.5Very high8 Ų865.1 Ų65.17%0.06636%0.361CS..EExtended strand (participates in β ladder)trans-107132.117600000110.6C27 Q28 L37 E56C27-A35 CarbonylContact C-O 3.19Å; C27-A35 WeakPolarHBondContact CA-O 3.43Å; Q28-A35 PolarHBondContact N-O 2.88Å; Q28-A35 PolarHBondContact O-N 2.62Å; A35-L37 HydrophobicContact CB-CD2 4.46Å; A35-E56 CarbonylContact C-O 3.54Å; A35-E56 WeakPolarHBondContact CA-O 3.23Å; A35-E56 HydrophobicContact CB-CB 4.05Å; A35-E56 HydrophobicContact CB-CG 4.46Å
36T94.7Very high90.6Very high1 Ų164.6 Ų64.61%0.00636%0.357CS..EExtended strand (participates in β ladder)trans-111108.3176.2-66.90000109.6P22 C25 I50 T54 E56 L57 R58P22-T36 HydrophobicContact CG-CG2 4.47Å; C25-T36 HydrophobicContact CB-CG2 4.48Å; T36-I50 HydrophobicContact CG2-CG2 4.39Å; T36-T54 PolarHBondContact OG1-OG1 3.5Å; T36-T54 VanDerWaalsContact OG1-OG1 3.1Å; T36-E56 PolarHBondContact N-O 2.93Å; T36-L57 HydrophobicContact CG2-CD1 3.73Å; T36-R58 PolarHBondContact O-N 2.91Å
37L95.8Very high90.7Very high40 Ų4061.6 Ų61.621%0.20934%0.339CS..EExtended strand (participates in β ladder)trans-10399.8-173-53-179.7000110.6C25 V26 Q28 A35 R58C25-L37 WeakPolarHBondContact CA-O 3.49Å; C25-L37 WeakPolarHBondContact CB-O 3.26Å; V26-L37 PolarHBondContact N-O 3.04Å; V26-L37 WeakPolarHBondContact O-CA 3.07Å; V26-L37 WeakPolarHBondContact O-CB 3.07Å; V26-L37 PolarHBondContact O-N 3Å; Q28-L37 HydrophobicContact CG-CD1 4.29Å; A35-L37 HydrophobicContact CB-CD2 4.46Å; L37-R58 HydrophobicContact CD2-CB 4.11Å; L37-R58 HydrophobicContact CD2-CG 3.88Å
38C96.1Very high90.7Very high0 Ų064.7 Ų64.70%036%0.359CS..  trans-109.713.3-178.5-69.60000113.3C25 K41 L43 R58 L59 N62C25-C38 HydrophobicContact CB-CB 4.04Å; C25-C38 WeakPolarHBondContact CB-SG 3.49Å; C25-C38 WeakPolarHBondContact SG-CA 3.23Å; C25-C38 WeakPolarHBondContact SG-CB 3.43Å; C25-C38 CovalentContact SG-SG 2.03Å; C25-C38 PolarHBondContact SG-SG 2.84Å; C38-K41 VanDerWaalsContact O-CG 3.28Å; C38-K41 WeakPolarHBondContact O-CG 3.42Å; C38-L43 HydrophobicContact CB-CD1 3.86Å; C38-R58 CarbonylContact C-O 3.58Å; C38-R58 VanDerWaalsContact CA-O 3.28Å; C38-R58 WeakPolarHBondContact CA-O 3.39Å; C38-R58 WeakPolarHBondContact CB-O 3.15Å; C38-R58 PolarHBondContact N-O 2.83Å; C38-L59 HydrophobicContact CB-CD2 3.55Å; C38-L59 HydrophobicContact CB-CG 4.25Å; C38-N62 PolarHBondContact O-ND2 2.95Å
39A94.9Very high90.7Very high35 Ų3563.6 Ų63.629%0.28936%0.356SS..THydrogen-bonded Turntrans-71.7144.9-174.600000113.6K41 R58 A60A39-K41 WeakPolarHBondContact O-CG 3.38Å; A39-K41 PolarHBondContact O-N 2.87Å; A39-R58 PolarHBondContact N-O 2.89Å; A39-A60 WeakPolarHBondContact CA-O 3.48Å; A39-A60 WeakPolarHBondContact CB-O 3.36Å
40K95.8Very high91Very high157 Ų15759.4 Ų59.468%0.68333%0.334SS*.THydrogen-bonded Turntrans56.641.9179.4-62.1-177.6178.7-1780113.7A60 D61K40-A60 PolarHBondContact N-O 2.84Å; K40-D61 VanDerWaalsContact CA-O 3.27Å; K40-D61 WeakPolarHBondContact CA-O 3.41Å; K40-D61 HydrophobicContact CB-CB 4.38Å; K40-D61 HydrophobicContact CD-CB 4.34Å; K40-D61 VanDerWaalsContact CE-CG 3.42Å; K40-D61 WeakPolarHBondContact CE-OD2 3.45Å; K40-D61 HydrophobicContact CG-CB 3.36Å; K40-D61 PolarHBondContact N-O 2.88Å
41K95.4Very high91.7Very high82 Ų8254.7 Ų54.736%0.35731%0.31SS..SBendtrans-111.41-176.1-60-54-178.5178.40115.1R24 C38 A39 L43 N62R24-K41 HydrophobicContact CB-CB 4.46Å; R24-K41 WeakPolarHBondContact O-CD 3.3Å; R24-K41 WeakPolarHBondContact O-CE 3.31Å; R24-K41 WeakPolarHBondContact O-CG 3.32Å; C38-K41 VanDerWaalsContact O-CG 3.28Å; C38-K41 WeakPolarHBondContact O-CG 3.42Å; A39-K41 WeakPolarHBondContact O-CG 3.38Å; A39-K41 PolarHBondContact O-N 2.87Å; K41-L43 VanDerWaalsContact C-N 3.33Å; K41-L43 HydrophobicContact CB-CD1 4.21Å; K41-L43 HydrophobicContact CB-CD2 4.32Å; K41-L43 HydrophobicContact CB-CG 3.91Å; K41-N62 PolarHBondContact N-OD1 3.04Å; K41-N62 VanDerWaalsContact N-OD1 3.12Å
42G95.1Very high92.8Very high34 Ų3453.3 Ų53.335%0.35129%0.288SS..  trans65.434.1179.900000113.3N62G42-N62 PolarHBondContact N-OD1 3.01Å
43L95.8Very high93.5Very high18 Ų1851.6 Ų51.69%0.09427%0.269CS..  trans-76.4125.8-176.8-59.4171.7000110.9R24 C38 K41 P47 L59 N62 F63 V64R24-L43 HydrophobicContact CB-CD2 4.39Å; C38-L43 HydrophobicContact CB-CD1 3.86Å; K41-L43 VanDerWaalsContact C-N 3.33Å; K41-L43 HydrophobicContact CB-CD1 4.21Å; K41-L43 HydrophobicContact CB-CD2 4.32Å; K41-L43 HydrophobicContact CB-CG 3.91Å; L43-P47 HydrophobicContact CD1-CG 3.83Å; L43-P47 HydrophobicContact CD2-CG 4.42Å; L43-L59 HydrophobicContact CD1-CD2 4Å; L43-N62 HydrophobicContact CB-CB 4.18Å; L43-N62 PolarHBondContact N-OD1 3.24Å; L43-F63 CarbonylContact O-C 3.51Å; L43-F63 WeakPolarHBondContact O-CA 3.48Å; L43-F63 PolarHBondContact O-N 3.06Å; L43-V64 PolarHBondContact O-N 3.37Å
44L95.1Very high93.9Very high117 Ų11747.7 Ų47.761%0.61325%0.248SC*.SBendtrans-83.5-13.9176.2-59.1174.6000113.1F63L44-F63 HydrophobicContact CD2-CB 4.06Å
45F96Very high94.2Very high125 Ų12548 Ų4855%0.54825%0.251SS..SBendtrans-156.2158.5-176.852.5-95000110
46V96.6Very high94.3Very high4 Ų450.1 Ų50.12%0.02426%0.259CS..  trans-62.8127.2174.8-176.30000109.5I50 L59 V64 D71 F72V46-I50 HydrophobicContact CG1-CD1 3.84Å; V46-L59 HydrophobicContact CG1-CD1 3.93Å; V46-L59 HydrophobicContact CG2-CD1 4.39Å; V46-V64 HydrophobicContact CG2-CG1 4.19Å; V46-D71 HydrophobicContact CB-CB 3.89Å; V46-D71 HydrophobicContact CG1-CB 3.99Å; V46-D71 HydrophobicContact CG2-CB 4.18Å; V46-F72 HydrophobicContact CG1-CE1 3.83Å; V46-F72 HydrophobicContact CG1-CZ 4.13Å; V46-F72 HydrophobicContact CG2-CE1 4.42Å; V46-F72 HydrophobicContact CG2-CZ 3.86Å
47P95Very high94.3Very high10 Ų1050.1 Ų50.17%0.06526%0.259CS..  trans-58.4131.6-179.3-25.934000112.4P22 L43 N49 I50 L59P22-P47 HydrophobicContact CB-CB 3.75Å; P22-P47 HydrophobicContact CB-CG 4.25Å; P22-P47 HydrophobicContact CG-CB 3.86Å; P22-P47 HydrophobicContact CG-CG 4.42Å; L43-P47 HydrophobicContact CD1-CG 3.83Å; L43-P47 HydrophobicContact CD2-CG 4.42Å; P47-N49 VanDerWaalsContact C-N 3.27Å; P47-N49 PolarHBondContact O-N 3.16Å; P47-I50 HydrophobicContact CB-CD1 4.35Å; P47-I50 HydrophobicContact CB-CG1 4.21Å; P47-I50 VanDerWaalsContact O-CD1 3.32Å; P47-I50 WeakPolarHBondContact O-CD1 3.08Å; P47-I50 WeakPolarHBondContact O-CG1 3.4Å; P47-L59 HydrophobicContact CG-CD2 4.5Å
48P91.3Very high94.4Very high101 Ų10153.8 Ų53.866%0.65627%0.27SS*.SBendtrans-75.9-13.8-174.430.7-36.7000113.8
49N90.8Very high94.5Very high65 Ų6553.8 Ų53.835%0.34827%0.27SS..  trans-112.856.7-17676.4-60.1000111.8I20 C21 P22 P47I20-N49 HydrophobicContact CG2-CB 4.06Å; C21-N49 PolarHBondContact O-ND2 2.97Å; P22-N49 WeakPolarHBondContact CD-O 3.46Å; P22-N49 WeakPolarHBondContact CG-O 3.26Å; P47-N49 VanDerWaalsContact C-N 3.27Å; P47-N49 PolarHBondContact O-N 3.16Å
50I92.9Very high94.5Very high6 Ų652.5 Ų52.53%0.03126%0.259CS..  trans-94.7133.8171.4-62.7164.5000108.7P22 T36 V46 P47 R52 L57 M75P22-I50 HydrophobicContact CG-CG1 3.8Å; T36-I50 HydrophobicContact CG2-CG2 4.39Å; V46-I50 HydrophobicContact CG1-CD1 3.84Å; P47-I50 HydrophobicContact CB-CD1 4.35Å; P47-I50 HydrophobicContact CB-CG1 4.21Å; P47-I50 VanDerWaalsContact O-CD1 3.32Å; P47-I50 WeakPolarHBondContact O-CD1 3.08Å; P47-I50 WeakPolarHBondContact O-CG1 3.4Å; I50-R52 PolarHBondContact O-N 2.78Å; I50-L57 HydrophobicContact CD1-CD1 4.1Å; I50-L57 HydrophobicContact CD1-CD2 4.02Å; I50-L57 HydrophobicContact CG2-CD1 4.42Å; I50-L57 HydrophobicContact CG2-CD2 4.48Å; I50-M75 HydrophobicContact CG2-CE 3.83Å; I50-M75 HydrophobicContact CG2-SD 4.4Å
51D91.9Very high94.6Very high19 Ų1947.2 Ų47.210%0.10224%0.239CC..  trans-62.4127.2173.8-159.4-47.4000111.3I20 L34 H53 T54I20-D51 HydrophobicContact CB-CB 4.31Å; I20-D51 PolarHBondContact N-OD2 2.8Å; I20-D51 PolarHBondContact O-N 3.4Å; I20-D51 VanDerWaalsContact O-N 3.16Å; L34-D51 HydrophobicContact CD2-CB 3.84Å; D51-H53 PolarHBondContact O-N 2.98Å; D51-H53 IonicContact OD1-CE1 3.85Å; D51-H53 IonicContact OD1-CG 3.5Å; D51-H53 PolarHBondContact OD1-N 2.04Å; D51-H53 IonicContact OD1-ND1 2.75Å; D51-H53 PolarHBondContact OD1-ND1 2.88Å; D51-T54 VanDerWaalsContact O-CB 3.24Å; D51-T54 WeakPolarHBondContact O-CB 3.39Å; D51-T54 PolarHBondContact O-N 2.94Å; D51-T54 VanDerWaalsContact O-N 3.11Å; D51-T54 PolarHBondContact O-OG1 2.79Å
52R92.4Very high94.7Very high78 Ų7843.4 Ų43.429%0.29422%0.222SC..THydrogen-bonded Turntrans-71.8-10.5-177.1-57.1-55.5-172.1-176.38.8113.5I50 T54 K70 D71 A73 M75I50-R52 PolarHBondContact O-N 2.78Å; R52-T54 VanDerWaalsContact C-N 3.32Å; R52-K70 PolarHBondContact NH2-O 3.04Å; R52-D71 PolarHBondContact NH1-O 3.49Å; R52-A73 WeakPolarHBondContact CD-O 3.17Å; R52-A73 PolarHBondContact NE-O 2.87Å; R52-A73 VanDerWaalsContact NE-O 3.15Å; R52-A73 PolarHBondContact NH1-O 3.09Å; R52-M75 VanDerWaalsContact CD-CG 3.48Å; R52-M75 PolarHBondContact NH1-SD 3.1Å
53H91.2Very high94.9Very high85 Ų8547.6 Ų47.639%0.39423%0.231SC..THydrogen-bonded Turntrans-86.50.1172-49.587.2000113.5D51 V55D51-H53 PolarHBondContact O-N 2.98Å; D51-H53 IonicContact OD1-CE1 3.85Å; D51-H53 IonicContact OD1-CG 3.5Å; D51-H53 PolarHBondContact OD1-N 2.04Å; D51-H53 IonicContact OD1-ND1 2.75Å; D51-H53 PolarHBondContact OD1-ND1 2.88Å; H53-V55 PolarHBondContact O-N 3.18Å
54T92.6Very high95Very high0 Ų046.7 Ų46.70%023%0.227CC..  trans-55129.7175-64.30000111L34 T36 D51 R52 E56 L57 M75 L78L34-T54 WeakPolarHBondContact O-CA 3.38Å; T36-T54 PolarHBondContact OG1-OG1 3.5Å; T36-T54 VanDerWaalsContact OG1-OG1 3.1Å; D51-T54 VanDerWaalsContact O-CB 3.24Å; D51-T54 WeakPolarHBondContact O-CB 3.39Å; D51-T54 PolarHBondContact O-N 2.94Å; D51-T54 VanDerWaalsContact O-N 3.11Å; D51-T54 PolarHBondContact O-OG1 2.79Å; R52-T54 VanDerWaalsContact C-N 3.32Å; T54-E56 WeakPolarHBondContact CG2-O 3.44Å; T54-L57 HydrophobicContact CG2-CB 4.13Å; T54-M75 HydrophobicContact CG2-CE 4.35Å; T54-L78 HydrophobicContact CG2-CD1 4.09Å; T54-L78 WeakPolarHBondContact O-CA 3.43Å; T54-L78 PolarHBondContact O-N 3.1Å
55V94.9Very high95Very high23 Ų2344.6 Ų44.614%0.13922%0.219CC..SBendtrans-95.2-29.2177.7-179.40000111.4N33 L34 H53 R77 V79 D80N33-V55 HydrophobicContact CB-CB 4.26Å; N33-V55 HydrophobicContact CB-CG1 4.43Å; N33-V55 HydrophobicContact CB-CG2 4.3Å; L34-V55 PolarHBondContact O-N 2.82Å; H53-V55 PolarHBondContact O-N 3.18Å; V55-R77 WeakPolarHBondContact CA-O 3.3Å; V55-V79 HydrophobicContact CG1-CB 4.1Å; V55-V79 HydrophobicContact CG1-CG2 3.88Å; V55-V79 PolarHBondContact O-N 3Å; V55-D80 PolarHBondContact O-N 2.6Å
56E95.4Very high95.1Very high53 Ų5340.1 Ų40.125%0.24820%0.203CC..EExtended strand (participates in β ladder)trans-136122.6-177.4179.3-173.9167.400109.9L34 A35 T36 T54 R58 D80L34-E56 PolarHBondContact O-N 2.93Å; A35-E56 CarbonylContact C-O 3.54Å; A35-E56 WeakPolarHBondContact CA-O 3.23Å; A35-E56 HydrophobicContact CB-CB 4.05Å; A35-E56 HydrophobicContact CB-CG 4.46Å; T36-E56 PolarHBondContact N-O 2.93Å; T54-E56 WeakPolarHBondContact CG2-O 3.44Å; E56-R58 HydrophobicContact CG-CG 4.42Å; E56-R58 IonicContact OE1-CZ 2.68Å; E56-R58 IonicContact OE1-NE 2.64Å; E56-R58 PolarHBondContact OE1-NE 2.69Å; E56-R58 IonicContact OE1-NH2 2.7Å; E56-R58 PolarHBondContact OE1-NH2 2.57Å; E56-D80 HydrophobicContact CG-CB 4.28Å
57L96.4Very high95.1Very high0 Ų040 Ų400%020%0.202CC..EExtended strand (participates in β ladder)trans-125.9102.3-177.217955.6000111.4T36 I50 T54 L59 F72 M75 L78 D80 L81 T82T36-L57 HydrophobicContact CG2-CD1 3.73Å; I50-L57 HydrophobicContact CD1-CD1 4.1Å; I50-L57 HydrophobicContact CD1-CD2 4.02Å; I50-L57 HydrophobicContact CG2-CD1 4.42Å; I50-L57 HydrophobicContact CG2-CD2 4.48Å; T54-L57 HydrophobicContact CG2-CB 4.13Å; L57-L59 HydrophobicContact CD1-CD1 4.11Å; L57-L59 HydrophobicContact CD1-CG 4.07Å; L57-L59 HydrophobicContact CD2-CD1 3.88Å; L57-L59 HydrophobicContact CG-CD1 3.83Å; L57-L59 HydrophobicContact CG-CG 4.15Å; L57-F72 HydrophobicContact CD2-CD1 4.01Å; L57-F72 HydrophobicContact CD2-CE1 3.7Å; L57-M75 HydrophobicContact CD2-CE 4.12Å; L57-M75 HydrophobicContact CD2-SD 4.45Å; L57-L78 HydrophobicContact CB-CD1 3.67Å; L57-D80 PolarHBondContact N-O 3.03Å; L57-L81 HydrophobicContact CB-CD1 4.15Å; L57-L81 HydrophobicContact CD2-CD1 3.96Å; L57-L81 HydrophobicContact CG-CD1 4.03Å; L57-T82 PolarHBondContact O-N 3.02Å
58R97.1Very high95.1Very high118 Ų11844.2 Ų44.245%0.44522%0.219SC..EExtended strand (participates in β ladder)trans-96.6102.9178.3-57-160.6-168.3-152.5-1.7111.4T36 L37 C38 A39 E56T36-R58 PolarHBondContact O-N 2.91Å; L37-R58 HydrophobicContact CD2-CB 4.11Å; L37-R58 HydrophobicContact CD2-CG 3.88Å; C38-R58 CarbonylContact C-O 3.58Å; C38-R58 VanDerWaalsContact CA-O 3.28Å; C38-R58 WeakPolarHBondContact CA-O 3.39Å; C38-R58 WeakPolarHBondContact CB-O 3.15Å; C38-R58 PolarHBondContact N-O 2.83Å; A39-R58 PolarHBondContact N-O 2.89Å; E56-R58 HydrophobicContact CG-CG 4.42Å; E56-R58 IonicContact OE1-CZ 2.68Å; E56-R58 IonicContact OE1-NE 2.64Å; E56-R58 PolarHBondContact OE1-NE 2.69Å; E56-R58 IonicContact OE1-NH2 2.7Å; E56-R58 PolarHBondContact OE1-NH2 2.57Å
59L97Very high95.3Very high0 Ų043.3 Ų43.30%020%0.203CC..  trans-106.411.8175.7-76.4160.1000113C38 L43 V46 P47 L57 N62 F72 T82 L83 N86C38-L59 HydrophobicContact CB-CD2 3.55Å; C38-L59 HydrophobicContact CB-CG 4.25Å; L43-L59 HydrophobicContact CD1-CD2 4Å; V46-L59 HydrophobicContact CG1-CD1 3.93Å; V46-L59 HydrophobicContact CG2-CD1 4.39Å; P47-L59 HydrophobicContact CG-CD2 4.5Å; L57-L59 HydrophobicContact CD1-CD1 4.11Å; L57-L59 HydrophobicContact CD1-CG 4.07Å; L57-L59 HydrophobicContact CD2-CD1 3.88Å; L57-L59 HydrophobicContact CG-CD1 3.83Å; L57-L59 HydrophobicContact CG-CG 4.15Å; L59-N62 PolarHBondContact O-ND2 2.8Å; L59-F72 HydrophobicContact CD1-CE1 3.9Å; L59-F72 HydrophobicContact CD1-CZ 4.09Å; L59-T82 CarbonylContact C-O 3.22Å; L59-T82 WeakPolarHBondContact CA-O 3.42Å; L59-T82 PolarHBondContact N-O 3.46Å; L59-L83 HydrophobicContact CB-CD2 3.78Å; L59-L83 HydrophobicContact CD1-CD2 3.92Å; L59-N86 PolarHBondContact O-ND2 2.92Å
60A96.8Very high95.5Very high7 Ų747.3 Ų47.36%0.05822%0.217CC..  trans-62.9158-177.600000114.6A39 K40 N62 T82 S84A39-A60 WeakPolarHBondContact CA-O 3.48Å; A39-A60 WeakPolarHBondContact CB-O 3.36Å; K40-A60 PolarHBondContact N-O 2.84Å; A60-N62 PolarHBondContact O-ND2 3.06Å; A60-N62 VanDerWaalsContact O-ND2 3.17Å; A60-T82 HydrophobicContact CB-CG2 4.15Å; A60-T82 PolarHBondContact N-O 2.97Å; A60-S84 CarbonylContact C-O 3.19Å; A60-S84 WeakPolarHBondContact CA-O 3.29Å; A60-S84 WeakPolarHBondContact CB-O 3.47Å
61D97.7Very high95.6Very high46 Ų4647.7 Ų47.725%0.24622%0.219CC..SBendtrans55.557.7-179.2-58.2-76.5000112.6K40 S84 R85K40-D61 VanDerWaalsContact CA-O 3.27Å; K40-D61 WeakPolarHBondContact CA-O 3.41Å; K40-D61 HydrophobicContact CB-CB 4.38Å; K40-D61 HydrophobicContact CD-CB 4.34Å; K40-D61 VanDerWaalsContact CE-CG 3.42Å; K40-D61 WeakPolarHBondContact CE-OD2 3.45Å; K40-D61 HydrophobicContact CG-CB 3.36Å; K40-D61 PolarHBondContact N-O 2.88Å; D61-S84 PolarHBondContact N-O 2.84Å; D61-R85 VanDerWaalsContact CA-O 3.27Å; D61-R85 WeakPolarHBondContact CA-O 3.46Å; D61-R85 PolarHBondContact N-O 3.11Å; D61-R85 IonicContact OD1-CZ 3.77Å; D61-R85 IonicContact OD1-NE 3.79Å; D61-R85 PolarHBondContact OD1-NE 3.28Å; D61-R85 IonicContact OD1-NH2 2.72Å; D61-R85 PolarHBondContact OD1-NH2 2.67Å; D61-R85 IonicContact OD2-CZ 3.95Å; D61-R85 IonicContact OD2-NE 3.1Å; D61-R85 IonicContact OD2-NH2 3.59Å; D61-R85 PolarHBondContact OD2-NH2 2.83Å
62N97.8Very high95.8Very high3 Ų346.9 Ų46.92%0.01622%0.215CC..SBendtrans-137.7-170.7178-78.2-65.9000110.2C38 K41 G42 L43 L59 A60 V64 R85 N86C38-N62 PolarHBondContact O-ND2 2.95Å; K41-N62 PolarHBondContact N-OD1 3.04Å; K41-N62 VanDerWaalsContact N-OD1 3.12Å; G42-N62 PolarHBondContact N-OD1 3.01Å; L43-N62 HydrophobicContact CB-CB 4.18Å; L43-N62 PolarHBondContact N-OD1 3.24Å; L59-N62 PolarHBondContact O-ND2 2.8Å; A60-N62 PolarHBondContact O-ND2 3.06Å; A60-N62 VanDerWaalsContact O-ND2 3.17Å; N62-V64 HydrophobicContact CB-CG2 4.46Å; N62-R85 PolarHBondContact N-O 3.06Å; N62-N86 WeakPolarHBondContact CA-OD1 3.28Å; N62-N86 WeakPolarHBondContact CB-OD1 3.44Å; N62-N86 WeakPolarHBondContact O-CA 3.19Å; N62-N86 PolarHBondContact O-OD1 2.97Å
63F97.7Very high95.9Very high121 Ų12144 Ų4453%0.53121%0.208SC..  trans-122.535.3-176.7-54.9-62000111.2L43 L44 T65 N86 T87L43-F63 CarbonylContact O-C 3.51Å; L43-F63 WeakPolarHBondContact O-CA 3.48Å; L43-F63 PolarHBondContact O-N 3.06Å; L44-F63 HydrophobicContact CD2-CB 4.06Å; F63-T65 PolarHBondContact O-N 2.72Å; F63-N86 PolarHBondContact N-OD1 3.38Å; F63-T87 VanDerWaalsContact C-OG1 3.29Å; F63-T87 PolarHBondContact O-OG1 3.35Å
64V97.7Very high96Very high0 Ų045.5 Ų45.50%022%0.218CC..  trans-67.6126.1176.5-178.60000108.4L43 V46 N62 N86 T87 I88L43-V64 PolarHBondContact O-N 3.37Å; V46-V64 HydrophobicContact CG2-CG1 4.19Å; N62-V64 HydrophobicContact CB-CG2 4.46Å; V64-N86 WeakPolarHBondContact CB-OD1 3.44Å; V64-N86 WeakPolarHBondContact CG2-OD1 3.28Å; V64-N86 PolarHBondContact N-OD1 3.35Å; V64-T87 CarbonylContact O-C 3.6Å; V64-T87 WeakPolarHBondContact O-CA 3.5Å; V64-T87 PolarHBondContact O-N 3.48Å; V64-T87 PolarHBondContact O-OG1 3.46Å; V64-I88 HydrophobicContact CB-CG1 4.29Å; V64-I88 HydrophobicContact CG1-CG1 4.18Å; V64-I88 WeakPolarHBondContact O-CG1 3.48Å; V64-I88 PolarHBondContact O-N 2.97Å
65T96.6Very high96.1Very high73 Ų7345.5 Ų45.545%0.44822%0.218SC..  trans-100.1-24.1-176.853.20000113.9F63 I88 S89F63-T65 PolarHBondContact O-N 2.72Å; T65-I88 WeakPolarHBondContact O-CA 3.29Å; T65-S89 PolarHBondContact O-N 2.79Å
66S96.8Very high96Very high31 Ų3147.5 Ų47.522%0.21723%0.231CC..EExtended strand (participates in β ladder)trans-151145.4-178.852.30000111.9Y90S66-Y90 VanDerWaalsContact CA-O 3.28Å; S66-Y90 WeakPolarHBondContact CA-O 3.44Å
67V97.1Very high95.8Very high0 Ų052 Ų520%025%0.246CC..EExtended strand (participates in β ladder)trans-103.4126.9172.6173.30000109.5F72 L83 I88 Y90 I91 T92 A95 F96V67-F72 HydrophobicContact CG1-CD2 3.84Å; V67-F72 HydrophobicContact CG1-CE2 3.51Å; V67-F72 HydrophobicContact CG2-CE2 4.26Å; V67-L83 HydrophobicContact CG2-CD1 4.35Å; V67-I88 HydrophobicContact CG2-CD1 4.05Å; V67-I88 HydrophobicContact CG2-CG2 4.21Å; V67-Y90 PolarHBondContact N-O 2.99Å; V67-I91 HydrophobicContact CB-CG1 4.26Å; V67-I91 HydrophobicContact CB-CG2 4.26Å; V67-I91 HydrophobicContact CG1-CG2 4.33Å; V67-I91 HydrophobicContact CG2-CG1 4.45Å; V67-T92 WeakPolarHBondContact O-CB 3.4Å; V67-T92 PolarHBondContact O-N 2.8Å; V67-T92 PolarHBondContact O-OG1 2.89Å; V67-A95 HydrophobicContact CG1-CB 3.86Å; V67-F96 HydrophobicContact CG1-CE1 4.19Å; V67-F96 HydrophobicContact CG1-CZ 4.38Å
68K95.9Very high95.8Very high99 Ų9952 Ų5243%0.4325%0.246SC..  trans-110.5147.5-176.1-56.4169.7-175.2174.30110.7K70 D71 T92K68-K70 HydrophobicContact CB-CG 4.45Å; K68-K70 PolarHBondContact O-N 2.89Å; K68-D71 WeakPolarHBondContact CB-OD2 3.26Å; K68-D71 PolarHBondContact N-OD2 3.07Å; K68-D71 VanDerWaalsContact O-CB 3.29Å; K68-D71 WeakPolarHBondContact O-CB 3.38Å; K68-D71 PolarHBondContact O-N 2.98Å; K68-T92 WeakPolarHBondContact CA-OG1 3.4Å
69R94.5Very high95.7Very high83 Ų8348.6 Ų48.631%0.31324%0.238SC..THydrogen-bonded Turntrans-51.9-29.8-176-179.958.8-177.190.1-5.1115.2T92 H94 S97 D98R69-T92 HydrophobicContact CB-CG2 4.21Å; R69-H94 WeakPolarHBondContact CD-O 3.36Å; R69-H94 PolarHBondContact NE-O 2.92Å; R69-H94 VanDerWaalsContact NE-O 3.1Å; R69-S97 PolarHBondContact NH2-OG 3.22Å; R69-D98 IonicContact CZ-OD1 3.34Å; R69-D98 IonicContact CZ-OD2 3.49Å; R69-D98 IonicContact NH1-OD1 3.81Å; R69-D98 IonicContact NH1-OD2 3.66Å; R69-D98 PolarHBondContact NH1-OD2 3.02Å; R69-D98 VanDerWaalsContact NH2-CG 3.33Å; R69-D98 IonicContact NH2-OD1 2.72Å; R69-D98 PolarHBondContact NH2-OD1 2.9Å; R69-D98 IonicContact NH2-OD2 2.92Å; R69-D98 PolarHBondContact NH2-OD2 2.82Å
70K94.9Very high95.7Very high148 Ų14850.4 Ų50.464%0.64325%0.248SC*.THydrogen-bonded Turntrans-81.2-16.6179.469177-174.4173.10114.7R52 K68R52-K70 PolarHBondContact NH2-O 3.04Å; K68-K70 HydrophobicContact CB-CG 4.45Å; K68-K70 PolarHBondContact O-N 2.89Å
71D96.1Very high95.8Very high15 Ų1550 Ų508%0.0825%0.245CC..THydrogen-bonded Turntrans-71.1-45.1-168.9-61.1-13.1000109.9V46 R52 K68V46-D71 HydrophobicContact CB-CB 3.89Å; V46-D71 HydrophobicContact CG1-CB 3.99Å; V46-D71 HydrophobicContact CG2-CB 4.18Å; R52-D71 PolarHBondContact NH1-O 3.49Å; K68-D71 WeakPolarHBondContact CB-OD2 3.26Å; K68-D71 PolarHBondContact N-OD2 3.07Å; K68-D71 VanDerWaalsContact O-CB 3.29Å; K68-D71 WeakPolarHBondContact O-CB 3.38Å; K68-D71 PolarHBondContact O-N 2.98Å
72F95.9Very high95.8Very high1 Ų148.6 Ų48.60%0.00424%0.238CC..SBendtrans-105.111.2176.4-52.2-56.3000114.2V46 L57 L59 V67 M75 L81 L83 F96 L99V46-F72 HydrophobicContact CG1-CE1 3.83Å; V46-F72 HydrophobicContact CG1-CZ 4.13Å; V46-F72 HydrophobicContact CG2-CE1 4.42Å; V46-F72 HydrophobicContact CG2-CZ 3.86Å; L57-F72 HydrophobicContact CD2-CD1 4.01Å; L57-F72 HydrophobicContact CD2-CE1 3.7Å; L59-F72 HydrophobicContact CD1-CE1 3.9Å; L59-F72 HydrophobicContact CD1-CZ 4.09Å; V67-F72 HydrophobicContact CG1-CD2 3.84Å; V67-F72 HydrophobicContact CG1-CE2 3.51Å; V67-F72 HydrophobicContact CG2-CE2 4.26Å; F72-M75 HydrophobicContact CD1-SD 4.26Å; F72-M75 WeakPolarHBondContact O-CB 3.28Å; F72-M75 WeakPolarHBondContact O-CG 3.34Å; F72-M75 PolarHBondContact O-N 2.88Å; F72-L81 HydrophobicContact CD1-CD1 4.46Å; F72-L81 HydrophobicContact CD1-CD2 4.27Å; F72-L81 HydrophobicContact CD2-CD2 4.11Å; F72-L81 HydrophobicContact CE1-CD1 3.86Å; F72-L81 HydrophobicContact CE1-CD2 4.21Å; F72-L81 HydrophobicContact CE2-CD2 4.03Å; F72-L81 HydrophobicContact CG-CD2 4.24Å; F72-L81 HydrophobicContact CZ-CD1 4.03Å; F72-L81 HydrophobicContact CZ-CD2 4.09Å; F72-L83 HydrophobicContact CE2-CD1 4.02Å; F72-L83 HydrophobicContact CZ-CD1 4.01Å; F72-L83 HydrophobicContact CZ-CD2 4.13Å; F72-F96 AromaticContact CD2-CD1 3.94Å; F72-F96 HydrophobicContact CD2-CD1 3.94Å; F72-F96 AromaticContact CD2-CE1 3.68Å; F72-F96 HydrophobicContact CD2-CE1 3.68Å; F72-F96 AromaticContact CE2-CE1 3.81Å; F72-F96 HydrophobicContact CE2-CE1 3.81Å; F72-L99 HydrophobicContact CB-CD1 4.26Å; F72-L99 HydrophobicContact CB-CD2 4.27Å
73A94.5Very high95.8Very high18 Ų1848.5 Ų48.515%0.14924%0.237CC..THydrogen-bonded Turntrans-58.3139.7-178.200000113R52 M75 D98R52-A73 WeakPolarHBondContact CD-O 3.17Å; R52-A73 PolarHBondContact NE-O 2.87Å; R52-A73 VanDerWaalsContact NE-O 3.15Å; R52-A73 PolarHBondContact NH1-O 3.09Å; A73-M75 PolarHBondContact O-N 2.99Å; A73-D98 VanDerWaalsContact CA-OD2 3.23Å; A73-D98 WeakPolarHBondContact CA-OD2 3.28Å
74N93.8Very high95.8Very high116 Ų11643 Ų4362%0.6221%0.213SC*.THydrogen-bonded Turntrans56.921.8179.9-57.31000115.3T76 D98N74-T76 PolarHBondContact O-N 2.89Å; N74-T76 VanDerWaalsContact O-N 3.12Å; N74-D98 PolarHBondContact N-OD2 3.4Å
75M93.8Very high95.8Very high0 Ų048.8 Ų48.80%024%0.235CC..  trans-86.752.4178.5-64.9-168.166.200112.8I50 R52 T54 L57 F72 A73 R77 L78 L99I50-M75 HydrophobicContact CG2-CE 3.83Å; I50-M75 HydrophobicContact CG2-SD 4.4Å; R52-M75 VanDerWaalsContact CD-CG 3.48Å; R52-M75 PolarHBondContact NH1-SD 3.1Å; T54-M75 HydrophobicContact CG2-CE 4.35Å; L57-M75 HydrophobicContact CD2-CE 4.12Å; L57-M75 HydrophobicContact CD2-SD 4.45Å; F72-M75 HydrophobicContact CD1-SD 4.26Å; F72-M75 WeakPolarHBondContact O-CB 3.28Å; F72-M75 WeakPolarHBondContact O-CG 3.34Å; F72-M75 PolarHBondContact O-N 2.88Å; A73-M75 PolarHBondContact O-N 2.99Å; M75-R77 PolarHBondContact O-N 2.86Å; M75-L78 HydrophobicContact CB-CB 4.3Å; M75-L78 HydrophobicContact CE-CD1 4.27Å; M75-L78 HydrophobicContact CE-CD2 4.35Å; M75-L78 VanDerWaalsContact O-CB 3.3Å; M75-L78 WeakPolarHBondContact O-CB 3.39Å; M75-L78 PolarHBondContact O-N 3.29Å; M75-L99 HydrophobicContact CB-CD2 3.71Å
76T91.8Very high95.9Very high66 Ų6645.8 Ų45.841%0.40522%0.217SC..THydrogen-bonded Turntrans-63.9-13.6-170.960.60000115N74 N101N74-T76 PolarHBondContact O-N 2.89Å; N74-T76 VanDerWaalsContact O-N 3.12Å; T76-N101 PolarHBondContact O-ND2 3.46Å
77R92.8Very high95.9Very high147 Ų14746.1 Ų46.156%0.55522%0.217SC*.THydrogen-bonded Turntrans-92.2-5.5176-73.6-170.7171.1-157.5-3.9114.6V55 M75V55-R77 WeakPolarHBondContact CA-O 3.3Å; M75-R77 PolarHBondContact O-N 2.86Å
78L95.2Very high96Very high0 Ų046.1 Ų46.10%022%0.217CC..  trans-70.4131.2-175.7-16665.6000110.8T54 L57 M75 D80 L81 L99 N101 L102T54-L78 HydrophobicContact CG2-CD1 4.09Å; T54-L78 WeakPolarHBondContact O-CA 3.43Å; T54-L78 PolarHBondContact O-N 3.1Å; L57-L78 HydrophobicContact CB-CD1 3.67Å; M75-L78 HydrophobicContact CB-CB 4.3Å; M75-L78 HydrophobicContact CE-CD1 4.27Å; M75-L78 HydrophobicContact CE-CD2 4.35Å; M75-L78 VanDerWaalsContact O-CB 3.3Å; M75-L78 WeakPolarHBondContact O-CB 3.39Å; M75-L78 PolarHBondContact O-N 3.29Å; L78-D80 WeakPolarHBondContact CD1-O 3.32Å; L78-L81 HydrophobicContact CD2-CB 4.01Å; L78-L81 HydrophobicContact CD2-CD1 4.4Å; L78-L81 HydrophobicContact CD2-CD2 4.21Å; L78-L81 HydrophobicContact CD2-CG 4.44Å; L78-L99 HydrophobicContact CB-CD2 4.34Å; L78-L99 HydrophobicContact CD2-CD1 4.3Å; L78-L99 HydrophobicContact CD2-CD2 4.1Å; L78-N101 CarbonylContact O-C 3.58Å; L78-L102 HydrophobicContact CB-CD1 4.39Å; L78-L102 HydrophobicContact CD2-CD1 4.13Å; L78-L102 HydrophobicContact CG-CD1 3.88Å; L78-L102 VanDerWaalsContact O-CA 3.32Å; L78-L102 WeakPolarHBondContact O-CA 3.34Å; L78-L102 PolarHBondContact O-N 3.35Å; L78-L102 VanDerWaalsContact O-N 3.15Å
79V96Very high96Very high47 Ų4744.6 Ų44.629%0.28522%0.219SC..  trans-116.9-37.9-177.4175.90000111.5V55 R103 A104V55-V79 HydrophobicContact CG1-CB 4.1Å; V55-V79 HydrophobicContact CG1-CG2 3.88Å; V55-V79 PolarHBondContact O-N 3Å; V79-R103 HydrophobicContact CG1-CB 4.09Å; V79-R103 HydrophobicContact CG1-CG 4Å; V79-R103 PolarHBondContact O-N 2.9Å; V79-A104 PolarHBondContact O-N 3.43Å
80D96.7Very high96.1Very high37 Ų3746.2 Ų46.220%0.19823%0.226CC..EExtended strand (participates in β ladder)trans-122.6125.8173.9177.1-14.6000109.9V55 E56 L57 L78 T82V55-D80 PolarHBondContact O-N 2.6Å; E56-D80 HydrophobicContact CG-CB 4.28Å; L57-D80 PolarHBondContact N-O 3.03Å; L78-D80 WeakPolarHBondContact CD1-O 3.32Å; D80-T82 PolarHBondContact OD1-N 3.29Å; D80-T82 PolarHBondContact OD1-OG1 3.2Å
81L97.7Very high96.2Very high0 Ų039.9 Ų39.90%020%0.199CC..EExtended strand (participates in β ladder)trans-122.4102.5171.2178.451.2000110.5L57 F72 L78 L83 F96 L99 L102 A104 L105 H106L57-L81 HydrophobicContact CB-CD1 4.15Å; L57-L81 HydrophobicContact CD2-CD1 3.96Å; L57-L81 HydrophobicContact CG-CD1 4.03Å; F72-L81 HydrophobicContact CD1-CD1 4.46Å; F72-L81 HydrophobicContact CD1-CD2 4.27Å; F72-L81 HydrophobicContact CD2-CD2 4.11Å; F72-L81 HydrophobicContact CE1-CD1 3.86Å; F72-L81 HydrophobicContact CE1-CD2 4.21Å; F72-L81 HydrophobicContact CE2-CD2 4.03Å; F72-L81 HydrophobicContact CG-CD2 4.24Å; F72-L81 HydrophobicContact CZ-CD1 4.03Å; F72-L81 HydrophobicContact CZ-CD2 4.09Å; L78-L81 HydrophobicContact CD2-CB 4.01Å; L78-L81 HydrophobicContact CD2-CD1 4.4Å; L78-L81 HydrophobicContact CD2-CD2 4.21Å; L78-L81 HydrophobicContact CD2-CG 4.44Å; L81-L83 HydrophobicContact CD1-CD1 4.27Å; L81-L83 HydrophobicContact CD1-CG 4.1Å; L81-L83 HydrophobicContact CD2-CD1 4.14Å; L81-L83 HydrophobicContact CG-CD1 4.06Å; L81-L83 HydrophobicContact CG-CG 4.24Å; L81-F96 HydrophobicContact CD2-CD1 4.24Å; L81-F96 HydrophobicContact CD2-CE1 3.97Å; L81-L99 HydrophobicContact CD2-CD1 4.03Å; L81-L102 HydrophobicContact CB-CD1 3.79Å; L81-L102 HydrophobicContact CB-CD2 4.4Å; L81-A104 PolarHBondContact N-O 3.43Å; L81-L105 HydrophobicContact CB-CD1 4.08Å; L81-L105 HydrophobicContact CD2-CD1 3.93Å; L81-L105 HydrophobicContact CG-CD1 3.95Å; L81-H106 PolarHBondContact O-N 3.49Å
82T98.1Very high96.1Very high16 Ų1641 Ų4110%0.09821%0.206CC..EExtended strand (participates in β ladder)trans-96.3105.3178.8-25.20000111.4L57 L59 A60 D80 S84 H106L57-T82 PolarHBondContact O-N 3.02Å; L59-T82 CarbonylContact C-O 3.22Å; L59-T82 WeakPolarHBondContact CA-O 3.42Å; L59-T82 PolarHBondContact N-O 3.46Å; A60-T82 HydrophobicContact CB-CG2 4.15Å; A60-T82 PolarHBondContact N-O 2.97Å; D80-T82 PolarHBondContact OD1-N 3.29Å; D80-T82 PolarHBondContact OD1-OG1 3.2Å; T82-S84 WeakPolarHBondContact CG2-OG 3.44Å; T82-H106 HydrophobicContact CG2-CB 4.05Å
83L97.9Very high96Very high0 Ų043.7 Ų43.70%022%0.224CC..  trans-109.211.6175-73.2164.4000113.2L59 V67 F72 L81 N86 I88 F96 H106 L107 N110L59-L83 HydrophobicContact CB-CD2 3.78Å; L59-L83 HydrophobicContact CD1-CD2 3.92Å; V67-L83 HydrophobicContact CG2-CD1 4.35Å; F72-L83 HydrophobicContact CE2-CD1 4.02Å; F72-L83 HydrophobicContact CZ-CD1 4.01Å; F72-L83 HydrophobicContact CZ-CD2 4.13Å; L81-L83 HydrophobicContact CD1-CD1 4.27Å; L81-L83 HydrophobicContact CD1-CG 4.1Å; L81-L83 HydrophobicContact CD2-CD1 4.14Å; L81-L83 HydrophobicContact CG-CD1 4.06Å; L81-L83 HydrophobicContact CG-CG 4.24Å; L83-N86 PolarHBondContact O-ND2 3.45Å; L83-I88 HydrophobicContact CB-CD1 4.04Å; L83-I88 HydrophobicContact CD1-CD1 4.41Å; L83-I88 HydrophobicContact CD2-CD1 4.17Å; L83-I88 HydrophobicContact CG-CD1 4.45Å; L83-F96 HydrophobicContact CD1-CE1 4.47Å; L83-H106 CarbonylContact C-O 3.26Å; L83-H106 VanDerWaalsContact CA-O 3.29Å; L83-H106 WeakPolarHBondContact CA-O 3.37Å; L83-H106 WeakPolarHBondContact CB-O 3.38Å; L83-H106 PolarHBondContact N-O 3.02Å; L83-L107 HydrophobicContact CB-CD2 3.97Å; L83-L107 HydrophobicContact CD1-CD2 3.8Å; L83-N110 PolarHBondContact O-ND2 3.02Å; L83-N110 VanDerWaalsContact O-ND2 3.1Å
84S98.1Very high96Very high5 Ų546.5 Ų46.54%0.03523%0.234CC..  trans-50.7145.9-179.3-50.30000114.6A60 D61 T82 N86 H106 N108A60-S84 CarbonylContact C-O 3.19Å; A60-S84 WeakPolarHBondContact CA-O 3.29Å; A60-S84 WeakPolarHBondContact CB-O 3.47Å; D61-S84 PolarHBondContact N-O 2.84Å; T82-S84 WeakPolarHBondContact CG2-OG 3.44Å; S84-N86 PolarHBondContact O-ND2 3.46Å; S84-H106 PolarHBondContact N-O 2.81Å; S84-H106 WeakPolarHBondContact OG-CB 3.26Å; S84-N108 CarbonylContact C-O 3.57Å; S84-N108 VanDerWaalsContact CA-O 3.25Å; S84-N108 WeakPolarHBondContact CA-O 3.24Å; S84-N108 WeakPolarHBondContact CB-OD1 3.48Å; S84-N108 PolarHBondContact OG-OD1 3.5Å
85R97.9Very high96.1Very high123 Ų12341 Ų4146%0.46421%0.205SC..SBendtrans53.661.1174.1-62.7-178.1-58.7-78.5-6.1111.5D61 N62 N108 S109D61-R85 VanDerWaalsContact CA-O 3.27Å; D61-R85 WeakPolarHBondContact CA-O 3.46Å; D61-R85 PolarHBondContact N-O 3.11Å; D61-R85 IonicContact OD1-CZ 3.77Å; D61-R85 IonicContact OD1-NE 3.79Å; D61-R85 PolarHBondContact OD1-NE 3.28Å; D61-R85 IonicContact OD1-NH2 2.72Å; D61-R85 PolarHBondContact OD1-NH2 2.67Å; D61-R85 IonicContact OD2-CZ 3.95Å; D61-R85 IonicContact OD2-NE 3.1Å; D61-R85 IonicContact OD2-NH2 3.59Å; D61-R85 PolarHBondContact OD2-NH2 2.83Å; N62-R85 PolarHBondContact N-O 3.06Å; R85-N108 PolarHBondContact N-O 3.37Å; R85-S109 WeakPolarHBondContact CA-O 3.4Å; R85-S109 PolarHBondContact N-O 2.89Å
86N98.1Very high96.1Very high10 Ų1041.1 Ų41.15%0.05321%0.205CC..SBendtrans-127.1-169.9173.3-89-87.5000109.3L59 N62 F63 V64 L83 S84 I88 S109 N110L59-N86 PolarHBondContact O-ND2 2.92Å; N62-N86 WeakPolarHBondContact CA-OD1 3.28Å; N62-N86 WeakPolarHBondContact CB-OD1 3.44Å; N62-N86 WeakPolarHBondContact O-CA 3.19Å; N62-N86 PolarHBondContact O-OD1 2.97Å; F63-N86 PolarHBondContact N-OD1 3.38Å; V64-N86 WeakPolarHBondContact CB-OD1 3.44Å; V64-N86 WeakPolarHBondContact CG2-OD1 3.28Å; V64-N86 PolarHBondContact N-OD1 3.35Å; L83-N86 PolarHBondContact O-ND2 3.45Å; S84-N86 PolarHBondContact O-ND2 3.46Å; N86-I88 HydrophobicContact CB-CD1 4.16Å; N86-I88 HydrophobicContact CB-CG1 3.98Å; N86-S109 PolarHBondContact N-O 3.43Å; N86-S109 VanDerWaalsContact N-O 3.15Å; N86-N110 WeakPolarHBondContact CA-OD1 3.18Å; N86-N110 WeakPolarHBondContact CB-OD1 3.38Å; N86-N110 PolarHBondContact O-OD1 3.36Å
87T97.6Very high96.2Very high38 Ų3839.5 Ų39.523%0.23320%0.196CC..  trans-114.426.4178.848.90000112.1F63 V64 S89 N110F63-T87 VanDerWaalsContact C-OG1 3.29Å; F63-T87 PolarHBondContact O-OG1 3.35Å; V64-T87 CarbonylContact O-C 3.6Å; V64-T87 WeakPolarHBondContact O-CA 3.5Å; V64-T87 PolarHBondContact O-N 3.48Å; V64-T87 PolarHBondContact O-OG1 3.46Å; T87-S89 PolarHBondContact O-N 2.9Å; T87-S89 VanDerWaalsContact O-N 3.16Å; T87-N110 PolarHBondContact N-OD1 2.85Å
88I98.3Very high96.2Very high0 Ų033.7 Ų33.70%018%0.176CC..  trans-68.3115.1-170.8-55.7166.6000108.9V64 T65 V67 L83 N86 I91 L107 N110 R111 L112V64-I88 HydrophobicContact CB-CG1 4.29Å; V64-I88 HydrophobicContact CG1-CG1 4.18Å; V64-I88 WeakPolarHBondContact O-CG1 3.48Å; V64-I88 PolarHBondContact O-N 2.97Å; T65-I88 WeakPolarHBondContact O-CA 3.29Å; V67-I88 HydrophobicContact CG2-CD1 4.05Å; V67-I88 HydrophobicContact CG2-CG2 4.21Å; L83-I88 HydrophobicContact CB-CD1 4.04Å; L83-I88 HydrophobicContact CD1-CD1 4.41Å; L83-I88 HydrophobicContact CD2-CD1 4.17Å; L83-I88 HydrophobicContact CG-CD1 4.45Å; N86-I88 HydrophobicContact CB-CD1 4.16Å; N86-I88 HydrophobicContact CB-CG1 3.98Å; I88-I91 HydrophobicContact CG2-CG1 4.08Å; I88-L107 HydrophobicContact CD1-CD2 4.36Å; I88-N110 HydrophobicContact CB-CB 4.37Å; I88-N110 VanDerWaalsContact CB-OD1 3.3Å; I88-N110 WeakPolarHBondContact CB-OD1 3.26Å; I88-N110 VanDerWaalsContact CG1-OD1 3.3Å; I88-N110 WeakPolarHBondContact CG1-OD1 3.29Å; I88-N110 PolarHBondContact N-OD1 2.95Å; I88-R111 CarbonylContact O-C 3.34Å; I88-R111 WeakPolarHBondContact O-CA 3.42Å; I88-R111 PolarHBondContact O-N 3.23Å; I88-L112 HydrophobicContact CG2-CD2 3.88Å; I88-L112 PolarHBondContact O-N 3.4Å
89S96.6Very high96.2Very high66 Ų6633.7 Ų33.746%0.46218%0.177SC..  trans-107.7-11.6174.760.90000113.6T65 T87 R111T65-S89 PolarHBondContact O-N 2.79Å; T87-S89 PolarHBondContact O-N 2.9Å; T87-S89 VanDerWaalsContact O-N 3.16Å; S89-R111 WeakPolarHBondContact CA-O 3.43Å
90Y95.8Very high95.9Very high118 Ų11836.5 Ų36.546%0.46319%0.186SC..EExtended strand (participates in β ladder)trans-146.1135.9-179.6-176.8-103.9000112.6S66 V67 P93S66-Y90 VanDerWaalsContact CA-O 3.28Å; S66-Y90 WeakPolarHBondContact CA-O 3.44Å; V67-Y90 PolarHBondContact N-O 2.99Å; Y90-P93 WeakPolarHBondContact OH-CD 3.3Å
91I96.9Very high95.8Very high14 Ų1437.5 Ų37.57%0.07219%0.192CC..EExtended strand (participates in β ladder)trans-118.9130.1171.4-58.9175000106.8V67 I88 A95 F96 L107 L112 T119V67-I91 HydrophobicContact CB-CG1 4.26Å; V67-I91 HydrophobicContact CB-CG2 4.26Å; V67-I91 HydrophobicContact CG1-CG2 4.33Å; V67-I91 HydrophobicContact CG2-CG1 4.45Å; I88-I91 HydrophobicContact CG2-CG1 4.08Å; I91-A95 HydrophobicContact CG2-CB 3.94Å; I91-F96 HydrophobicContact CD1-CE2 4.05Å; I91-F96 HydrophobicContact CD1-CZ 4.17Å; I91-F96 HydrophobicContact CG2-CE2 3.86Å; I91-F96 HydrophobicContact CG2-CZ 4.1Å; I91-L107 HydrophobicContact CD1-CD1 3.91Å; I91-L107 HydrophobicContact CD1-CD2 4.06Å; I91-L112 HydrophobicContact CD1-CD1 4.07Å; I91-L112 HydrophobicContact CD1-CD2 3.9Å; I91-L112 HydrophobicContact CG1-CD2 3.92Å; I91-T119 HydrophobicContact CB-CG2 4.18Å; I91-T119 HydrophobicContact CD1-CG2 4.27Å; I91-T119 HydrophobicContact CG2-CG2 3.98Å
92T95.1Very high95.7Very high39 Ų3937.5 Ų37.524%0.23919%0.192CC..  trans-70.3140.5177.5-52.10000110.1V67 K68 R69 H94 A95V67-T92 WeakPolarHBondContact O-CB 3.4Å; V67-T92 PolarHBondContact O-N 2.8Å; V67-T92 PolarHBondContact O-OG1 2.89Å; K68-T92 WeakPolarHBondContact CA-OG1 3.4Å; R69-T92 HydrophobicContact CB-CG2 4.21Å; T92-H94 PolarHBondContact O-N 2.71Å; T92-A95 WeakPolarHBondContact O-CB 3.21Å; T92-A95 PolarHBondContact O-N 2.7Å; T92-A95 VanDerWaalsContact O-N 3.07Å
93P93.5Very high95.7Very high57 Ų5743.5 Ų43.537%0.3721%0.213SC..THydrogen-bonded Turntrans-46.9140.4170.4-3237.4000113.3Y90 A95 D118Y90-P93 WeakPolarHBondContact OH-CD 3.3Å; P93-A95 PolarHBondContact O-N 2.7Å; P93-A95 VanDerWaalsContact O-N 3.11Å; P93-D118 HydrophobicContact CB-CB 3.92Å
94H94.2Very high95.7Very high78 Ų7844.1 Ų44.136%0.36122%0.218SC..THydrogen-bonded Turntrans56.216.5-175.6-46.8-58.3000115.3R69 T92 F96 S97 D118 S121R69-H94 WeakPolarHBondContact CD-O 3.36Å; R69-H94 PolarHBondContact NE-O 2.92Å; R69-H94 VanDerWaalsContact NE-O 3.1Å; T92-H94 PolarHBondContact O-N 2.71Å; H94-F96 PolarHBondContact O-N 3.33Å; H94-S97 WeakPolarHBondContact O-CB 3.4Å; H94-S97 PolarHBondContact O-N 3.26Å; H94-S97 PolarHBondContact O-OG 2.97Å; H94-D118 WeakPolarHBondContact CA-O 3.49Å; H94-D118 VanDerWaalsContact CE1-CG 3.44Å; H94-D118 IonicContact CE1-OD1 3.62Å; H94-D118 PolarHBondContact CE1-OD1 3.46Å; H94-D118 VanDerWaalsContact CE1-OD1 3.27Å; H94-D118 PolarHBondContact N-O 2.74Å; H94-S121 PolarHBondContact ND1-OG 3.36Å
95A95.1Very high95.7Very high1 Ų143.9 Ų43.91%0.00822%0.216CC..THydrogen-bonded Turntrans-58.7-21.5-177.700000114.7V67 I91 T92 P93V67-A95 HydrophobicContact CG1-CB 3.86Å; I91-A95 HydrophobicContact CG2-CB 3.94Å; T92-A95 WeakPolarHBondContact O-CB 3.21Å; T92-A95 PolarHBondContact O-N 2.7Å; T92-A95 VanDerWaalsContact O-N 3.07Å; P93-A95 PolarHBondContact O-N 2.7Å; P93-A95 VanDerWaalsContact O-N 3.11Å
96F95.6Very high95.7Very high1 Ų140.5 Ų40.50%0.00421%0.206CC..THydrogen-bonded Turntrans-109.17.3177.7-52.5-52000113.9V67 F72 L81 L83 I91 H94 D98 L99 L105 L107 T119 F120 M123V67-F96 HydrophobicContact CG1-CE1 4.19Å; V67-F96 HydrophobicContact CG1-CZ 4.38Å; F72-F96 AromaticContact CD2-CD1 3.94Å; F72-F96 HydrophobicContact CD2-CD1 3.94Å; F72-F96 AromaticContact CD2-CE1 3.68Å; F72-F96 HydrophobicContact CD2-CE1 3.68Å; F72-F96 AromaticContact CE2-CE1 3.81Å; F72-F96 HydrophobicContact CE2-CE1 3.81Å; L81-F96 HydrophobicContact CD2-CD1 4.24Å; L81-F96 HydrophobicContact CD2-CE1 3.97Å; L83-F96 HydrophobicContact CD1-CE1 4.47Å; I91-F96 HydrophobicContact CD1-CE2 4.05Å; I91-F96 HydrophobicContact CD1-CZ 4.17Å; I91-F96 HydrophobicContact CG2-CE2 3.86Å; I91-F96 HydrophobicContact CG2-CZ 4.1Å; H94-F96 PolarHBondContact O-N 3.33Å; F96-D98 PolarHBondContact O-N 3.2Å; F96-D98 VanDerWaalsContact O-N 3.11Å; F96-L99 HydrophobicContact CB-CD1 3.96Å; F96-L99 HydrophobicContact CB-CG 4.42Å; F96-L99 HydrophobicContact CD1-CD1 3.78Å; F96-L99 HydrophobicContact CG-CD1 4.29Å; F96-L99 VanDerWaalsContact O-CB 3.31Å; F96-L99 WeakPolarHBondContact O-CB 3.41Å; F96-L99 WeakPolarHBondContact O-CG 3.31Å; F96-L99 PolarHBondContact O-N 3.15Å; F96-L99 VanDerWaalsContact O-N 3.09Å; F96-L105 HydrophobicContact CD2-CD2 4.17Å; F96-L105 HydrophobicContact CE2-CD2 4.07Å; F96-L105 HydrophobicContact CZ-CD1 4.43Å; F96-L105 HydrophobicContact CZ-CD2 4.47Å; F96-L107 HydrophobicContact CE2-CD1 4.25Å; F96-L107 HydrophobicContact CZ-CD1 4.38Å; F96-T119 VanDerWaalsContact CD2-O 3.32Å; F96-T119 WeakPolarHBondContact CD2-O 3.49Å; F96-F120 HydrophobicContact CD2-CD1 4.1Å; F96-F120 HydrophobicContact CD2-CE1 4.37Å; F96-F120 HydrophobicContact CE2-CD1 4.34Å; F96-F120 HydrophobicContact CE2-CE1 4.15Å; F96-M123 HydrophobicContact CB-CG 4.22Å; F96-M123 HydrophobicContact CB-SD 3.67Å; F96-M123 HydrophobicContact CD2-SD 4.41Å; F96-M123 HydrophobicContact CG-SD 4.23Å
97S93.6Very high95.7Very high32 Ų3240 Ų4022%0.22420%0.203CC..THydrogen-bonded Turntrans-62.4-25.5-17165.60000115R69 H94 L99 S121R69-S97 PolarHBondContact NH2-OG 3.22Å; H94-S97 WeakPolarHBondContact O-CB 3.4Å; H94-S97 PolarHBondContact O-N 3.26Å; H94-S97 PolarHBondContact O-OG 2.97Å; S97-L99 VanDerWaalsContact C-N 3.28Å; S97-S121 WeakPolarHBondContact CA-O 3.24Å
98D92.9Very high95.7Very high25 Ų2539.5 Ų39.513%0.13420%0.199CC..THydrogen-bonded Turntrans-88.92.6-176.7-47.7-18.2000112.1R69 A73 N74 F96 E100R69-D98 IonicContact CZ-OD1 3.34Å; R69-D98 IonicContact CZ-OD2 3.49Å; R69-D98 IonicContact NH1-OD1 3.81Å; R69-D98 IonicContact NH1-OD2 3.66Å; R69-D98 PolarHBondContact NH1-OD2 3.02Å; R69-D98 VanDerWaalsContact NH2-CG 3.33Å; R69-D98 IonicContact NH2-OD1 2.72Å; R69-D98 PolarHBondContact NH2-OD1 2.9Å; R69-D98 IonicContact NH2-OD2 2.92Å; R69-D98 PolarHBondContact NH2-OD2 2.82Å; A73-D98 VanDerWaalsContact CA-OD2 3.23Å; A73-D98 WeakPolarHBondContact CA-OD2 3.28Å; N74-D98 PolarHBondContact N-OD2 3.4Å; F96-D98 PolarHBondContact O-N 3.2Å; F96-D98 VanDerWaalsContact O-N 3.11Å; D98-E100 VanDerWaalsContact C-N 3.29Å; D98-E100 PolarHBondContact O-N 2.91Å
99L94.1Very high95.7Very high1 Ų141.3 Ų41.31%0.00521%0.211CC..  trans-94.746.8-172.6-52.5-173.7000111.6F72 M75 L78 L81 F96 S97 N101 L102F72-L99 HydrophobicContact CB-CD1 4.26Å; F72-L99 HydrophobicContact CB-CD2 4.27Å; M75-L99 HydrophobicContact CB-CD2 3.71Å; L78-L99 HydrophobicContact CB-CD2 4.34Å; L78-L99 HydrophobicContact CD2-CD1 4.3Å; L78-L99 HydrophobicContact CD2-CD2 4.1Å; L81-L99 HydrophobicContact CD2-CD1 4.03Å; F96-L99 HydrophobicContact CB-CD1 3.96Å; F96-L99 HydrophobicContact CB-CG 4.42Å; F96-L99 HydrophobicContact CD1-CD1 3.78Å; F96-L99 HydrophobicContact CG-CD1 4.29Å; F96-L99 VanDerWaalsContact O-CB 3.31Å; F96-L99 WeakPolarHBondContact O-CB 3.41Å; F96-L99 WeakPolarHBondContact O-CG 3.31Å; F96-L99 PolarHBondContact O-N 3.15Å; F96-L99 VanDerWaalsContact O-N 3.09Å; S97-L99 VanDerWaalsContact C-N 3.28Å; L99-N101 PolarHBondContact O-N 3.46Å; L99-L102 HydrophobicContact CB-CB 3.97Å; L99-L102 HydrophobicContact CB-CD2 4.36Å; L99-L102 HydrophobicContact CD1-CD2 4.06Å; L99-L102 VanDerWaalsContact O-CB 3.29Å; L99-L102 WeakPolarHBondContact O-CB 3.11Å; L99-L102 PolarHBondContact O-N 2.9Å
100E90.9Very high95.8Very high105 Ų10538.6 Ų38.649%0.49119%0.192SC..THydrogen-bonded Turntrans-56-16.4-173.9-60.8177.4-171.800115.8D98 K125D98-E100 VanDerWaalsContact C-N 3.29Å; D98-E100 PolarHBondContact O-N 2.91Å; E100-K125 WeakPolarHBondContact O-CD 3.4Å; E100-K125 WeakPolarHBondContact O-CE 3.48Å; E100-K125 WeakPolarHBondContact O-CG 3.27Å; E100-K125 PolarHBondContact O-NZ 3.27Å
101N93.9Very high95.9Very high58 Ų5839.3 Ų39.331%0.3119%0.194SC..THydrogen-bonded Turntrans-115.87.5-178.7-64.5-64.6000113.4T76 L78 L99 R103 K125T76-N101 PolarHBondContact O-ND2 3.46Å; L78-N101 CarbonylContact O-C 3.58Å; L99-N101 PolarHBondContact O-N 3.46Å; N101-R103 PolarHBondContact O-N 3.32Å; N101-K125 PolarHBondContact OD1-NZ 3.38Å
102L96.1Very high95.9Very high0 Ų038.9 Ų38.90%019%0.191CC..  trans-67.5127.7178.3-163.775.2000110.2L78 L81 L99 L105 M123 K125 L126L78-L102 HydrophobicContact CB-CD1 4.39Å; L78-L102 HydrophobicContact CD2-CD1 4.13Å; L78-L102 HydrophobicContact CG-CD1 3.88Å; L78-L102 VanDerWaalsContact O-CA 3.32Å; L78-L102 WeakPolarHBondContact O-CA 3.34Å; L78-L102 PolarHBondContact O-N 3.35Å; L78-L102 VanDerWaalsContact O-N 3.15Å; L81-L102 HydrophobicContact CB-CD1 3.79Å; L81-L102 HydrophobicContact CB-CD2 4.4Å; L99-L102 HydrophobicContact CB-CB 3.97Å; L99-L102 HydrophobicContact CB-CD2 4.36Å; L99-L102 HydrophobicContact CD1-CD2 4.06Å; L99-L102 VanDerWaalsContact O-CB 3.29Å; L99-L102 WeakPolarHBondContact O-CB 3.11Å; L99-L102 PolarHBondContact O-N 2.9Å; L102-L105 HydrophobicContact CD2-CB 3.96Å; L102-L105 HydrophobicContact CD2-CD1 4.33Å; L102-M123 HydrophobicContact CD2-SD 3.81Å; L102-K125 CarbonylContact O-C 3.39Å; L102-L126 HydrophobicContact CB-CD1 4.43Å; L102-L126 HydrophobicContact CD2-CD1 4.01Å; L102-L126 HydrophobicContact CG-CD1 4.06Å; L102-L126 WeakPolarHBondContact O-CA 3.45Å; L102-L126 PolarHBondContact O-N 3.46Å
103R96.8Very high96Very high142 Ų14240 Ų4054%0.53620%0.198SC..  trans-108.8-32.8178-63.7-174.8-172.7-158.7-0.2112.5V79 N101 H127 H128V79-R103 HydrophobicContact CG1-CB 4.09Å; V79-R103 HydrophobicContact CG1-CG 4Å; V79-R103 PolarHBondContact O-N 2.9Å; N101-R103 PolarHBondContact O-N 3.32Å; R103-H127 PolarHBondContact O-N 2.93Å; R103-H128 PolarHBondContact O-N 3.37Å
104A97.9Very high96.1Very high14 Ų1446 Ų4612%0.11621%0.214CC..EExtended strand (participates in β ladder)trans-125.3127.5178.400000111V79 L81 H128V79-A104 PolarHBondContact O-N 3.43Å; L81-A104 PolarHBondContact N-O 3.43Å; A104-H128 HydrophobicContact CB-CB 4.29Å
105L98Very high96.2Very high0 Ų042.5 Ų42.50%020%0.197CC..EExtended strand (participates in β ladder)trans-127.3108.1173.2178.358.6000109.3L81 F96 L102 L107 F120 M123 L126 H128 L129 I130L81-L105 HydrophobicContact CB-CD1 4.08Å; L81-L105 HydrophobicContact CD2-CD1 3.93Å; L81-L105 HydrophobicContact CG-CD1 3.95Å; F96-L105 HydrophobicContact CD2-CD2 4.17Å; F96-L105 HydrophobicContact CE2-CD2 4.07Å; F96-L105 HydrophobicContact CZ-CD1 4.43Å; F96-L105 HydrophobicContact CZ-CD2 4.47Å; L102-L105 HydrophobicContact CD2-CB 3.96Å; L102-L105 HydrophobicContact CD2-CD1 4.33Å; L105-L107 HydrophobicContact CD1-CD1 4.33Å; L105-L107 HydrophobicContact CD1-CG 4.15Å; L105-L107 HydrophobicContact CD2-CD1 3.88Å; L105-L107 HydrophobicContact CG-CD1 4.01Å; L105-L107 HydrophobicContact CG-CG 4.13Å; L105-F120 HydrophobicContact CD2-CD1 4.27Å; L105-F120 HydrophobicContact CD2-CE1 4.01Å; L105-M123 HydrophobicContact CD2-CE 3.72Å; L105-M123 HydrophobicContact CD2-SD 3.96Å; L105-L126 HydrophobicContact CB-CD1 3.88Å; L105-L126 HydrophobicContact CB-CD2 4.39Å; L105-H128 PolarHBondContact N-O 2.93Å; L105-L129 HydrophobicContact CB-CD1 4.32Å; L105-L129 HydrophobicContact CD2-CD1 4.12Å; L105-L129 HydrophobicContact CG-CD1 4.31Å; L105-I130 PolarHBondContact O-N 3.01Å
106H98.4Very high96.2Very high52 Ų5243.8 Ų43.824%0.24121%0.211CC..EExtended strand (participates in β ladder)trans-103.9106.2179.2-58.7-176.5000109.8L81 T82 L83 S84 I130L81-H106 PolarHBondContact O-N 3.49Å; T82-H106 HydrophobicContact CG2-CB 4.05Å; L83-H106 CarbonylContact C-O 3.26Å; L83-H106 VanDerWaalsContact CA-O 3.29Å; L83-H106 WeakPolarHBondContact CA-O 3.37Å; L83-H106 WeakPolarHBondContact CB-O 3.38Å; L83-H106 PolarHBondContact N-O 3.02Å; S84-H106 PolarHBondContact N-O 2.81Å; S84-H106 WeakPolarHBondContact OG-CB 3.26Å; H106-I130 HydrophobicContact CB-CB 4.44Å
107L98Very high96.1Very high0 Ų047.1 Ų47.10%023%0.229CC..  trans-109.911.9178.1-79.4167.8000112.4L83 I88 I91 F96 L105 N110 L112 F120 I130 L131 N134L83-L107 HydrophobicContact CB-CD2 3.97Å; L83-L107 HydrophobicContact CD1-CD2 3.8Å; I88-L107 HydrophobicContact CD1-CD2 4.36Å; I91-L107 HydrophobicContact CD1-CD1 3.91Å; I91-L107 HydrophobicContact CD1-CD2 4.06Å; F96-L107 HydrophobicContact CE2-CD1 4.25Å; F96-L107 HydrophobicContact CZ-CD1 4.38Å; L105-L107 HydrophobicContact CD1-CD1 4.33Å; L105-L107 HydrophobicContact CD1-CG 4.15Å; L105-L107 HydrophobicContact CD2-CD1 3.88Å; L105-L107 HydrophobicContact CG-CD1 4.01Å; L105-L107 HydrophobicContact CG-CG 4.13Å; L107-N110 WeakPolarHBondContact O-CB 3.22Å; L107-N110 PolarHBondContact O-ND2 3.3Å; L107-L112 HydrophobicContact CB-CD1 4.31Å; L107-L112 HydrophobicContact CD1-CD1 4.47Å; L107-F120 HydrophobicContact CD1-CE1 3.93Å; L107-F120 HydrophobicContact CD1-CZ 4.25Å; L107-I130 PolarHBondContact N-O 3.32Å; L107-L131 HydrophobicContact CB-CD2 3.71Å; L107-L131 HydrophobicContact CD1-CD2 4.01Å; L107-N134 PolarHBondContact O-ND2 2.92Å
108N98.1Very high96Very high27 Ų2748.3 Ų48.314%0.14423%0.233CC..  trans-70.9158-174.160-20.8000116.1S84 R85 N110 I130 N132S84-N108 CarbonylContact C-O 3.57Å; S84-N108 VanDerWaalsContact CA-O 3.25Å; S84-N108 WeakPolarHBondContact CA-O 3.24Å; S84-N108 WeakPolarHBondContact CB-OD1 3.48Å; S84-N108 PolarHBondContact OG-OD1 3.5Å; R85-N108 PolarHBondContact N-O 3.37Å; N108-N110 PolarHBondContact O-ND2 2.84Å; N108-I130 HydrophobicContact CB-CG2 4.09Å; N108-I130 PolarHBondContact N-O 3.42Å; N108-N132 CarbonylContact C-O 3.57Å; N108-N132 WeakPolarHBondContact CA-O 3.43Å; N108-N132 WeakPolarHBondContact CB-O 3.44Å; N108-N132 WeakPolarHBondContact CB-OD1 3.16Å; N108-N132 PolarHBondContact ND2-OD1 3.48Å
109S98.3Very high96Very high37 Ų3747.8 Ų47.826%0.25923%0.231SC..SBendtrans52.759.2-173.6-640000111.5R85 N86 N132 N133R85-S109 WeakPolarHBondContact CA-O 3.4Å; R85-S109 PolarHBondContact N-O 2.89Å; N86-S109 PolarHBondContact N-O 3.43Å; N86-S109 VanDerWaalsContact N-O 3.15Å; S109-N132 PolarHBondContact N-O 2.83Å; S109-N133 WeakPolarHBondContact CA-O 3.49Å; S109-N133 PolarHBondContact N-O 3.26Å; S109-N133 PolarHBondContact OG-ND2 2.82Å
110N98.6Very high96Very high9 Ų947.8 Ų47.85%0.04823%0.231CC..SBendtrans-130.7-163.1177.8-88.3-72.6000109.8L83 N86 T87 I88 L107 N108 L112 N133 N134L83-N110 PolarHBondContact O-ND2 3.02Å; L83-N110 VanDerWaalsContact O-ND2 3.1Å; N86-N110 WeakPolarHBondContact CA-OD1 3.18Å; N86-N110 WeakPolarHBondContact CB-OD1 3.38Å; N86-N110 PolarHBondContact O-OD1 3.36Å; T87-N110 PolarHBondContact N-OD1 2.85Å; I88-N110 HydrophobicContact CB-CB 4.37Å; I88-N110 VanDerWaalsContact CB-OD1 3.3Å; I88-N110 WeakPolarHBondContact CB-OD1 3.26Å; I88-N110 VanDerWaalsContact CG1-OD1 3.3Å; I88-N110 WeakPolarHBondContact CG1-OD1 3.29Å; I88-N110 PolarHBondContact N-OD1 2.95Å; L107-N110 WeakPolarHBondContact O-CB 3.22Å; L107-N110 PolarHBondContact O-ND2 3.3Å; N108-N110 PolarHBondContact O-ND2 2.84Å; N110-L112 HydrophobicContact CB-CG 4.48Å; N110-N133 PolarHBondContact N-O 2.88Å; N110-N134 WeakPolarHBondContact CA-OD1 3.31Å; N110-N134 WeakPolarHBondContact CB-OD1 3.37Å; N110-N134 PolarHBondContact O-OD1 3.28Å
111R97.8Very high96Very high134 Ų13443.9 Ų43.951%0.50622%0.215SC..  trans-126.329.1-176.2-62.9-179.7176.7-88-0.7111.7I88 S89 T113 N134I88-R111 CarbonylContact O-C 3.34Å; I88-R111 WeakPolarHBondContact O-CA 3.42Å; I88-R111 PolarHBondContact O-N 3.23Å; S89-R111 WeakPolarHBondContact CA-O 3.43Å; R111-T113 PolarHBondContact O-N 3.02Å; R111-N134 PolarHBondContact N-OD1 3.47Å
112L97.8Very high95.6Very high4 Ų442.6 Ų42.62%0.02122%0.215CC..  trans-68.8130178.7-59.6175.2000109.2I88 I91 L107 N110 I115 L131 N134 Q135 L136I88-L112 HydrophobicContact CG2-CD2 3.88Å; I88-L112 PolarHBondContact O-N 3.4Å; I91-L112 HydrophobicContact CD1-CD1 4.07Å; I91-L112 HydrophobicContact CD1-CD2 3.9Å; I91-L112 HydrophobicContact CG1-CD2 3.92Å; L107-L112 HydrophobicContact CB-CD1 4.31Å; L107-L112 HydrophobicContact CD1-CD1 4.47Å; N110-L112 HydrophobicContact CB-CG 4.48Å; L112-I115 HydrophobicContact CD1-CD1 4.46Å; L112-L131 HydrophobicContact CD1-CD2 4.05Å; L112-N134 WeakPolarHBondContact CB-OD1 3.46Å; L112-N134 WeakPolarHBondContact CG-OD1 3.48Å; L112-N134 PolarHBondContact N-OD1 3.29Å; L112-Q135 CarbonylContact O-C 3.44Å; L112-Q135 WeakPolarHBondContact O-CA 3.38Å; L112-Q135 PolarHBondContact O-N 3.48Å; L112-L136 HydrophobicContact CB-CD2 3.73Å; L112-L136 HydrophobicContact CB-CG 4.49Å; L112-L136 PolarHBondContact O-N 2.62Å; L112-L136 VanDerWaalsContact O-N 3.1Å
113T96.4Very high95.3Very high63 Ų6342.6 Ų42.639%0.38722%0.215SC..  trans-107.4-16-179.753.60000114.2R111 Q135 V137R111-T113 PolarHBondContact O-N 3.02Å; T113-Q135 WeakPolarHBondContact CA-O 3.33Å; T113-Q135 HydrophobicContact CG2-CB 4.18Å; T113-V137 PolarHBondContact O-N 2.63Å
114R96.1Very high95Very high183 Ų18339.1 Ų39.169%0.69121%0.212SC*.EExtended strand (participates in β ladder)trans-158.7148.8-17953.4-177.6167.3-175.2-4.8111.9L138R114-L138 VanDerWaalsContact CA-O 3.27Å; R114-L138 WeakPolarHBondContact CA-O 3.45Å
115I96.3Very high94.8Very high4 Ų442.7 Ų42.72%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-112.8121.9169.3-56.6-57.2000109L112 T119 F120 L131 L136 L138 I139 H140 A143L112-I115 HydrophobicContact CD1-CD1 4.46Å; I115-T119 HydrophobicContact CG2-CG2 4.44Å; I115-F120 HydrophobicContact CB-CE2 4.47Å; I115-F120 HydrophobicContact CD1-CE2 4.09Å; I115-F120 HydrophobicContact CD1-CZ 3.91Å; I115-F120 HydrophobicContact CG1-CE2 4.18Å; I115-F120 HydrophobicContact CG1-CZ 4.49Å; I115-F120 HydrophobicContact CG2-CD2 3.8Å; I115-F120 HydrophobicContact CG2-CE2 3.46Å; I115-F120 VanDerWaalsContact CG2-CE2 3.46Å; I115-F120 HydrophobicContact CG2-CZ 4.22Å; I115-L131 HydrophobicContact CD1-CD2 4.48Å; I115-L136 HydrophobicContact CD1-CD2 3.9Å; I115-L136 HydrophobicContact CG1-CD1 4.18Å; I115-L136 HydrophobicContact CG1-CD2 3.86Å; I115-L138 PolarHBondContact N-O 2.99Å; I115-I139 HydrophobicContact CB-CG1 4.26Å; I115-I139 HydrophobicContact CB-CG2 4.32Å; I115-I139 HydrophobicContact CG1-CG1 4.19Å; I115-H140 WeakPolarHBondContact O-CB 3.28Å; I115-H140 PolarHBondContact O-N 2.92Å; I115-A143 HydrophobicContact CG2-CB 3.77Å
116G93.6Very high94.7Very high29 Ų2942.7 Ų42.730%0.29923%0.225SC..  trans-87.5161.4171.200000112.5D118 T119G116-D118 VanDerWaalsContact C-N 3.29Å; G116-D118 PolarHBondContact O-N 3.26Å; G116-T119 PolarHBondContact N-OG1 2.97Å; G116-T119 WeakPolarHBondContact O-CB 3.26Å; G116-T119 PolarHBondContact O-N 2.92Å; G116-T119 VanDerWaalsContact O-N 3.12Å; G116-T119 PolarHBondContact O-OG1 2.82Å
117N93.4Very high94.7Very high71 Ų7142.6 Ų42.638%0.3823%0.225SC..G310 helixtrans-43.6-52171.957.3-49.4000112.8T119N117-T119 PolarHBondContact O-N 2.91Å
118D92.1Very high94.7Very high56 Ų5645.7 Ų45.730%0.29924%0.239SC..G310 helixtrans-81.36.3-172.6-59.7-45.2000113.9P93 H94 G116P93-D118 HydrophobicContact CB-CB 3.92Å; H94-D118 WeakPolarHBondContact CA-O 3.49Å; H94-D118 VanDerWaalsContact CE1-CG 3.44Å; H94-D118 IonicContact CE1-OD1 3.62Å; H94-D118 PolarHBondContact CE1-OD1 3.46Å; H94-D118 VanDerWaalsContact CE1-OD1 3.27Å; H94-D118 PolarHBondContact N-O 2.74Å; G116-D118 VanDerWaalsContact C-N 3.29Å; G116-D118 PolarHBondContact O-N 3.26Å
119T93.4Very high94.7Very high15 Ų1544.4 Ų44.49%0.09223%0.232CC..G310 helixtrans-70.9-42.8-179.3-41.60000111I91 F96 I115 G116 N117I91-T119 HydrophobicContact CB-CG2 4.18Å; I91-T119 HydrophobicContact CD1-CG2 4.27Å; I91-T119 HydrophobicContact CG2-CG2 3.98Å; F96-T119 VanDerWaalsContact CD2-O 3.32Å; F96-T119 WeakPolarHBondContact CD2-O 3.49Å; I115-T119 HydrophobicContact CG2-CG2 4.44Å; G116-T119 PolarHBondContact N-OG1 2.97Å; G116-T119 WeakPolarHBondContact O-CB 3.26Å; G116-T119 PolarHBondContact O-N 2.92Å; G116-T119 VanDerWaalsContact O-N 3.12Å; G116-T119 PolarHBondContact O-OG1 2.82Å; N117-T119 PolarHBondContact O-N 2.91Å
120F93.9Very high94.7Very high1 Ų143.3 Ų43.30%0.00422%0.223CC..SBendtrans-114.87.7-171-60-41.1000114F96 L105 L107 I115 G122 M123 L129 L131 F144 L147F96-F120 HydrophobicContact CD2-CD1 4.1Å; F96-F120 HydrophobicContact CD2-CE1 4.37Å; F96-F120 HydrophobicContact CE2-CD1 4.34Å; F96-F120 HydrophobicContact CE2-CE1 4.15Å; L105-F120 HydrophobicContact CD2-CD1 4.27Å; L105-F120 HydrophobicContact CD2-CE1 4.01Å; L107-F120 HydrophobicContact CD1-CE1 3.93Å; L107-F120 HydrophobicContact CD1-CZ 4.25Å; I115-F120 HydrophobicContact CB-CE2 4.47Å; I115-F120 HydrophobicContact CD1-CE2 4.09Å; I115-F120 HydrophobicContact CD1-CZ 3.91Å; I115-F120 HydrophobicContact CG1-CE2 4.18Å; I115-F120 HydrophobicContact CG1-CZ 4.49Å; I115-F120 HydrophobicContact CG2-CD2 3.8Å; I115-F120 HydrophobicContact CG2-CE2 3.46Å; I115-F120 VanDerWaalsContact CG2-CE2 3.46Å; I115-F120 HydrophobicContact CG2-CZ 4.22Å; F120-G122 PolarHBondContact O-N 2.8Å; F120-M123 HydrophobicContact CB-CE 3.63Å; F120-M123 HydrophobicContact CD1-CE 3.46Å; F120-M123 VanDerWaalsContact CD1-CE 3.46Å; F120-M123 HydrophobicContact CE1-CE 4.42Å; F120-M123 HydrophobicContact CG-CE 3.84Å; F120-M123 PolarHBondContact O-N 3.3Å; F120-L129 HydrophobicContact CD2-CD2 4.35Å; F120-L129 HydrophobicContact CE1-CD1 4.46Å; F120-L129 HydrophobicContact CE2-CD2 4.1Å; F120-L129 HydrophobicContact CZ-CD1 4.26Å; F120-L129 HydrophobicContact CZ-CD2 4.49Å; F120-L131 HydrophobicContact CE2-CD1 4.08Å; F120-L131 HydrophobicContact CZ-CD1 4.02Å; F120-L131 HydrophobicContact CZ-CD2 4.26Å; F120-F144 HydrophobicContact CD2-CD1 4.24Å; F120-F144 HydrophobicContact CD2-CE1 4.08Å; F120-F144 HydrophobicContact CE2-CE1 4.05Å; F120-L147 HydrophobicContact CB-CD1 4.46Å; F120-L147 HydrophobicContact CD2-CD1 4.48Å
121S90.8Very high94.7Very high23 Ų2342.9 Ų42.916%0.16122%0.221CC..THydrogen-bonded Turntrans-52.6130.3178.662.30000112.4H94 S97 D146H94-S121 PolarHBondContact ND1-OG 3.36Å; S97-S121 WeakPolarHBondContact CA-O 3.24Å; S121-D146 WeakPolarHBondContact CA-OD2 3.44Å
122G85.5Confident94.7Very high30 Ų3038.2 Ų38.231%0.30921%0.206SC..THydrogen-bonded Turntrans93.7-12.3175.100000116.1F120 S124 D146F120-G122 PolarHBondContact O-N 2.8Å; G122-S124 PolarHBondContact O-N 2.91Å; G122-D146 PolarHBondContact N-OD2 2.8Å
123M90.5Very high94.7Very high1 Ų141.9 Ų41.91%0.00523%0.226CC..  trans-79.950-177.4-60.7-165.9-55.700113.7F96 L102 L105 F120 K125 L126 L147F96-M123 HydrophobicContact CB-CG 4.22Å; F96-M123 HydrophobicContact CB-SD 3.67Å; F96-M123 HydrophobicContact CD2-SD 4.41Å; F96-M123 HydrophobicContact CG-SD 4.23Å; L102-M123 HydrophobicContact CD2-SD 3.81Å; L105-M123 HydrophobicContact CD2-CE 3.72Å; L105-M123 HydrophobicContact CD2-SD 3.96Å; F120-M123 HydrophobicContact CB-CE 3.63Å; F120-M123 HydrophobicContact CD1-CE 3.46Å; F120-M123 VanDerWaalsContact CD1-CE 3.46Å; F120-M123 HydrophobicContact CE1-CE 4.42Å; F120-M123 HydrophobicContact CG-CE 3.84Å; F120-M123 PolarHBondContact O-N 3.3Å; M123-K125 PolarHBondContact O-N 3.21Å; M123-L126 HydrophobicContact CB-CB 4.31Å; M123-L126 HydrophobicContact CE-CD2 4.02Å; M123-L126 WeakPolarHBondContact O-CB 3.39Å; M123-L126 PolarHBondContact O-N 3.42Å; M123-L126 VanDerWaalsContact O-N 3.12Å; M123-L147 HydrophobicContact CB-CD2 4.11Å; M123-L147 HydrophobicContact CE-CD2 4.36Å
124S89.3Confident94.8Very high68 Ų6839.5 Ų39.548%0.47621%0.211SC..THydrogen-bonded Turntrans-61.4-13.1-174.157.40000116.2G122 A149G122-S124 PolarHBondContact O-N 2.91Å; S124-A149 WeakPolarHBondContact O-CB 3.45Å
125K94.4Very high94.9Very high90 Ų9034.9 Ų34.939%0.39120%0.197SC..THydrogen-bonded Turntrans-112.716.2179.8-54.2-177.1-153.1161.80113.2E100 N101 L102 M123 H127E100-K125 WeakPolarHBondContact O-CD 3.4Å; E100-K125 WeakPolarHBondContact O-CE 3.48Å; E100-K125 WeakPolarHBondContact O-CG 3.27Å; E100-K125 PolarHBondContact O-NZ 3.27Å; N101-K125 PolarHBondContact OD1-NZ 3.38Å; L102-K125 CarbonylContact O-C 3.39Å; M123-K125 PolarHBondContact O-N 3.21Å; K125-H127 PolarHBondContact O-CD2 2.8Å; K125-H127 VanDerWaalsContact O-CD2 3.27Å; K125-H127 PolarHBondContact O-N 2.81Å
126L96.6Very high95Very high0 Ų034.7 Ų34.70%020%0.196CC..  trans-72.7126.9176.7-161.576.7000110.3L102 L105 M123 L129 L147 A149 L150L102-L126 HydrophobicContact CB-CD1 4.43Å; L102-L126 HydrophobicContact CD2-CD1 4.01Å; L102-L126 HydrophobicContact CG-CD1 4.06Å; L102-L126 WeakPolarHBondContact O-CA 3.45Å; L102-L126 PolarHBondContact O-N 3.46Å; L105-L126 HydrophobicContact CB-CD1 3.88Å; L105-L126 HydrophobicContact CB-CD2 4.39Å; M123-L126 HydrophobicContact CB-CB 4.31Å; M123-L126 HydrophobicContact CE-CD2 4.02Å; M123-L126 WeakPolarHBondContact O-CB 3.39Å; M123-L126 PolarHBondContact O-N 3.42Å; M123-L126 VanDerWaalsContact O-N 3.12Å; L126-L129 HydrophobicContact CD2-CB 3.81Å; L126-L129 HydrophobicContact CD2-CD1 4.17Å; L126-L129 HydrophobicContact CD2-CD2 4.48Å; L126-L129 HydrophobicContact CD2-CG 4.37Å; L126-L147 HydrophobicContact CB-CD2 4.26Å; L126-L147 HydrophobicContact CD2-CD2 4.16Å; L126-A149 CarbonylContact O-C 3.57Å; L126-A149 VanDerWaalsContact O-C 3.26Å; L126-L150 HydrophobicContact CB-CD1 4.36Å; L126-L150 HydrophobicContact CD2-CD1 4.03Å; L126-L150 HydrophobicContact CG-CD1 4.14Å; L126-L150 WeakPolarHBondContact O-CA 3.28Å; L126-L150 PolarHBondContact O-N 3.36Å
127H97.5Very high95.1Very high49 Ų4936.7 Ų36.723%0.22720%0.202CC..  trans-102.7-39.6176.1-74.9-139.1000111R103 K125 L150 E151 E152R103-H127 PolarHBondContact O-N 2.93Å; K125-H127 PolarHBondContact O-CD2 2.8Å; K125-H127 VanDerWaalsContact O-CD2 3.27Å; K125-H127 PolarHBondContact O-N 2.81Å; H127-L150 WeakPolarHBondContact O-CD1 3.06Å; H127-E151 HydrophobicContact CB-CB 4.36Å; H127-E151 HydrophobicContact CB-CG 4.28Å; H127-E151 IonicContact CE1-OE1 2.7Å; H127-E151 IonicContact CE1-OE2 3.25Å; H127-E151 IonicContact CG-OE2 2.74Å; H127-E151 IonicContact ND1-OE1 2.85Å; H127-E151 IonicContact ND1-OE2 3.62Å; H127-E151 PolarHBondContact ND1-OE2 3.19Å; H127-E151 WeakPolarHBondContact O-CA 3.37Å; H127-E151 PolarHBondContact O-N 2.86Å; H127-E152 PolarHBondContact O-N 2.84Å
128H98.1Very high95.2Very high65 Ų6538.4 Ų38.430%0.30121%0.211SC..EExtended strand (participates in β ladder)trans-120.3119.2-177.2-50.7-97000110.8R103 A104 L105 I130 E152R103-H128 PolarHBondContact O-N 3.37Å; A104-H128 HydrophobicContact CB-CB 4.29Å; L105-H128 PolarHBondContact N-O 2.93Å; H128-I130 HydrophobicContact CB-CD1 4.48Å; H128-E152 IonicContact CE1-OE2 2.63Å; H128-E152 IonicContact CG-OE2 3.25Å; H128-E152 IonicContact ND1-OE2 3.41Å; H128-E152 PolarHBondContact ND1-OE2 3.06Å
129L98.1Very high95.4Very high0 Ų036 Ų360%020%0.198CC..EExtended strand (participates in β ladder)trans-119102.5172.5-179.754.1000109.8L105 F120 L126 L131 F144 L147 L150 E152 L153 D154L105-L129 HydrophobicContact CB-CD1 4.32Å; L105-L129 HydrophobicContact CD2-CD1 4.12Å; L105-L129 HydrophobicContact CG-CD1 4.31Å; F120-L129 HydrophobicContact CD2-CD2 4.35Å; F120-L129 HydrophobicContact CE1-CD1 4.46Å; F120-L129 HydrophobicContact CE2-CD2 4.1Å; F120-L129 HydrophobicContact CZ-CD1 4.26Å; F120-L129 HydrophobicContact CZ-CD2 4.49Å; L126-L129 HydrophobicContact CD2-CB 3.81Å; L126-L129 HydrophobicContact CD2-CD1 4.17Å; L126-L129 HydrophobicContact CD2-CD2 4.48Å; L126-L129 HydrophobicContact CD2-CG 4.37Å; L129-L131 HydrophobicContact CD1-CD1 3.98Å; L129-L131 HydrophobicContact CD1-CG 4Å; L129-L131 HydrophobicContact CD2-CD1 3.91Å; L129-L131 HydrophobicContact CG-CD1 3.81Å; L129-L131 HydrophobicContact CG-CG 4.16Å; L129-F144 HydrophobicContact CD2-CE1 4.06Å; L129-L147 HydrophobicContact CD2-CD1 3.7Å; L129-L150 HydrophobicContact CB-CD1 3.89Å; L129-L150 HydrophobicContact CB-CD2 4.33Å; L129-E152 PolarHBondContact N-O 3.1Å; L129-L153 HydrophobicContact CB-CD1 4.14Å; L129-L153 HydrophobicContact CD2-CD1 4.05Å; L129-L153 HydrophobicContact CG-CD1 4.14Å; L129-D154 PolarHBondContact O-N 3.45Å
130I98.4Very high95.5Very high15 Ų1539.8 Ų39.88%0.07722%0.215CC..EExtended strand (participates in β ladder)trans-107101.6-173.8-46.3-57.9000109.3L105 H106 L107 N108 H128 E152 D154L105-I130 PolarHBondContact O-N 3.01Å; H106-I130 HydrophobicContact CB-CB 4.44Å; L107-I130 PolarHBondContact N-O 3.32Å; N108-I130 HydrophobicContact CB-CG2 4.09Å; N108-I130 PolarHBondContact N-O 3.42Å; H128-I130 HydrophobicContact CB-CD1 4.48Å; I130-E152 HydrophobicContact CD1-CG 3.94Å; I130-D154 HydrophobicContact CD1-CB 3.91Å; I130-D154 HydrophobicContact CG2-CB 4.27Å
131L98.1Very high95.5Very high0 Ų044 Ų440%023%0.234CC..  trans-113.84.7-174.4-82165.7000113.2L107 L112 I115 F120 L129 N134 D154 L155 N158L107-L131 HydrophobicContact CB-CD2 3.71Å; L107-L131 HydrophobicContact CD1-CD2 4.01Å; L112-L131 HydrophobicContact CD1-CD2 4.05Å; I115-L131 HydrophobicContact CD1-CD2 4.48Å; F120-L131 HydrophobicContact CE2-CD1 4.08Å; F120-L131 HydrophobicContact CZ-CD1 4.02Å; F120-L131 HydrophobicContact CZ-CD2 4.26Å; L129-L131 HydrophobicContact CD1-CD1 3.98Å; L129-L131 HydrophobicContact CD1-CG 4Å; L129-L131 HydrophobicContact CD2-CD1 3.91Å; L129-L131 HydrophobicContact CG-CD1 3.81Å; L129-L131 HydrophobicContact CG-CG 4.16Å; L131-N134 PolarHBondContact O-ND2 3.32Å; L131-D154 CarbonylContact C-O 3.41Å; L131-D154 WeakPolarHBondContact CA-O 3.29Å; L131-D154 WeakPolarHBondContact CB-O 3.34Å; L131-D154 PolarHBondContact N-O 3.24Å; L131-L155 HydrophobicContact CB-CD2 3.91Å; L131-L155 HydrophobicContact CD1-CD2 3.76Å; L131-L155 HydrophobicContact CG-CD2 4.5Å; L131-N158 PolarHBondContact O-ND2 2.85Å
132N98.1Very high95.6Very high35 Ų3543.9 Ų43.919%0.18724%0.236CC..  trans-62.2159.3-172.668.2-9.7000115.8N108 S109 N134 D154 S156N108-N132 CarbonylContact C-O 3.57Å; N108-N132 WeakPolarHBondContact CA-O 3.43Å; N108-N132 WeakPolarHBondContact CB-O 3.44Å; N108-N132 WeakPolarHBondContact CB-OD1 3.16Å; N108-N132 PolarHBondContact ND2-OD1 3.48Å; S109-N132 PolarHBondContact N-O 2.83Å; N132-N134 PolarHBondContact O-ND2 3.17Å; N132-D154 WeakPolarHBondContact CB-OD1 3.32Å; N132-D154 WeakPolarHBondContact CB-OD2 3.47Å; N132-D154 PolarHBondContact N-O 2.84Å; N132-D154 PolarHBondContact ND2-OD2 3.34Å; N132-D154 PolarHBondContact OD1-OD2 3.1Å; N132-S156 CarbonylContact C-O 3.44Å; N132-S156 WeakPolarHBondContact CA-O 3.45Å; N132-S156 WeakPolarHBondContact CB-O 3.32Å
133N98.3Very high96Very high82 Ų8242.7 Ų42.744%0.43922%0.223SC..SBendtrans57.352.9178.1-153.859.8000111.3S109 N110 S156 Y157S109-N133 WeakPolarHBondContact CA-O 3.49Å; S109-N133 PolarHBondContact N-O 3.26Å; S109-N133 PolarHBondContact OG-ND2 2.82Å; N110-N133 PolarHBondContact N-O 2.88Å; N133-S156 PolarHBondContact N-O 2.95Å; N133-Y157 CarbonylContact C-O 3.25Å; N133-Y157 WeakPolarHBondContact CA-O 3.34Å; N133-Y157 PolarHBondContact N-O 2.81Å
134N98.4Very high96.3Very high13 Ų1342.7 Ų42.77%0.0722%0.223CC..SBendtrans-118.2-156.4176.9-95.9-78.4000109L107 N110 R111 L112 L131 N132 L136 Y157 N158L107-N134 PolarHBondContact O-ND2 2.92Å; N110-N134 WeakPolarHBondContact CA-OD1 3.31Å; N110-N134 WeakPolarHBondContact CB-OD1 3.37Å; N110-N134 PolarHBondContact O-OD1 3.28Å; R111-N134 PolarHBondContact N-OD1 3.47Å; L112-N134 WeakPolarHBondContact CB-OD1 3.46Å; L112-N134 WeakPolarHBondContact CG-OD1 3.48Å; L112-N134 PolarHBondContact N-OD1 3.29Å; L131-N134 PolarHBondContact O-ND2 3.32Å; N132-N134 PolarHBondContact O-ND2 3.17Å; N134-L136 HydrophobicContact CB-CG 4.24Å; N134-Y157 PolarHBondContact N-O 2.93Å; N134-Y157 VanDerWaalsContact N-O 3.08Å; N134-N158 WeakPolarHBondContact CA-OD1 3.48Å; N134-N158 WeakPolarHBondContact CB-OD1 3.35Å
135Q97.5Very high96.4Very high85 Ų8543.2 Ų43.240%0.39722%0.221SC..  trans-131.526.4179.5-58.8-173.3-19.700110.9L112 T113 V137 N158 N159L112-Q135 CarbonylContact O-C 3.44Å; L112-Q135 WeakPolarHBondContact O-CA 3.38Å; L112-Q135 PolarHBondContact O-N 3.48Å; T113-Q135 WeakPolarHBondContact CA-O 3.33Å; T113-Q135 HydrophobicContact CG2-CB 4.18Å; Q135-V137 PolarHBondContact O-N 2.78Å; Q135-N158 PolarHBondContact N-OD1 2.66Å; Q135-N159 PolarHBondContact O-ND2 2.91Å
136L97.9Very high96.2Very high0 Ų042.3 Ų42.30%022%0.22CC..  trans-64.9121.1-172.2-64174.9000110.5L112 I115 N134 L155 N158 N159 L160L112-L136 HydrophobicContact CB-CD2 3.73Å; L112-L136 HydrophobicContact CB-CG 4.49Å; L112-L136 PolarHBondContact O-N 2.62Å; L112-L136 VanDerWaalsContact O-N 3.1Å; I115-L136 HydrophobicContact CD1-CD2 3.9Å; I115-L136 HydrophobicContact CG1-CD1 4.18Å; I115-L136 HydrophobicContact CG1-CD2 3.86Å; N134-L136 HydrophobicContact CB-CG 4.24Å; L136-L155 HydrophobicContact CD1-CD2 4.46Å; L136-N158 HydrophobicContact CB-CB 4.25Å; L136-N158 VanDerWaalsContact CB-OD1 3.31Å; L136-N158 WeakPolarHBondContact CB-OD1 3.32Å; L136-N158 WeakPolarHBondContact CG-OD1 3.19Å; L136-N158 PolarHBondContact N-OD1 2.88Å; L136-N159 CarbonylContact O-C 3.28Å; L136-N159 VanDerWaalsContact O-CA 3.28Å; L136-N159 WeakPolarHBondContact O-CA 3.27Å; L136-N159 WeakPolarHBondContact O-CB 3.33Å; L136-N159 PolarHBondContact O-N 3.4Å; L136-L160 HydrophobicContact CB-CD2 3.84Å; L136-L160 HydrophobicContact CB-CG 4.3Å; L136-L160 PolarHBondContact O-N 3.13Å
137V96.7Very high96Very high71 Ų7142.3 Ų42.343%0.4322%0.22SC..  trans-98.7-35.7172.6-177.10000110.8T113 Q135 N159T113-V137 PolarHBondContact O-N 2.63Å; Q135-V137 PolarHBondContact O-N 2.78Å; V137-N159 HydrophobicContact CG2-CB 4.07Å
138L95.1Very high95.8Very high107 Ų10743.5 Ų43.556%0.5623%0.228SC*.EExtended strand (participates in β ladder)trans-137.5131.6-175-17270.1000112.5R114 I115R114-L138 VanDerWaalsContact CA-O 3.27Å; R114-L138 WeakPolarHBondContact CA-O 3.45Å; I115-L138 PolarHBondContact N-O 2.99Å
139I96.8Very high95.6Very high7 Ų741.6 Ų41.64%0.03622%0.224CC..EExtended strand (participates in β ladder)trans-111122166.2-62.4169.7000107.2I115 A143 F144 L155 L160 I163 P164I115-I139 HydrophobicContact CB-CG1 4.26Å; I115-I139 HydrophobicContact CB-CG2 4.32Å; I115-I139 HydrophobicContact CG1-CG1 4.19Å; I139-A143 HydrophobicContact CG2-CB 4.09Å; I139-F144 HydrophobicContact CD1-CE2 4.42Å; I139-F144 HydrophobicContact CD1-CZ 3.98Å; I139-F144 HydrophobicContact CG2-CE1 4.2Å; I139-F144 HydrophobicContact CG2-CE2 4.28Å; I139-F144 HydrophobicContact CG2-CZ 4.01Å; I139-L155 HydrophobicContact CD1-CD1 4.1Å; I139-L155 HydrophobicContact CD1-CD2 3.88Å; I139-L160 HydrophobicContact CD1-CD1 3.92Å; I139-L160 HydrophobicContact CD1-CD2 3.82Å; I139-L160 HydrophobicContact CG1-CD2 3.84Å; I139-I163 HydrophobicContact CD1-CG2 4.27Å; I139-P164 HydrophobicContact CG2-CG 3.95Å
140H95.9Very high95.6Very high94 Ų9441.6 Ų41.644%0.43522%0.224SC..  trans-66.4139.1179.8-178.1-85.5000111.5I115 G142 A143I115-H140 WeakPolarHBondContact O-CB 3.28Å; I115-H140 PolarHBondContact O-N 2.92Å; H140-G142 VanDerWaalsContact C-N 3.31Å; H140-G142 PolarHBondContact ND1-N 3.2Å; H140-G142 PolarHBondContact O-N 3.25Å; H140-G142 VanDerWaalsContact O-N 3.1Å; H140-A143 HydrophobicContact CB-CB 4.48Å; H140-A143 WeakPolarHBondContact O-CB 3.35Å; H140-A143 PolarHBondContact O-N 2.94Å
141Q93.2Very high95.5Very high90 Ų9043.6 Ų43.642%0.42123%0.233SC..G310 helixtrans-48.5-48.2-171.1-168.268.7-3.600113.8A143 P164 E166Q141-A143 VanDerWaalsContact C-N 3.3Å; Q141-A143 PolarHBondContact O-N 2.89Å; Q141-P164 WeakPolarHBondContact O-CB 3.34Å; Q141-E166 PolarHBondContact NE2-OE2 3.29Å
142G92.9Very high95.5Very high20 Ų2046.4 Ų46.421%0.20625%0.246CC..G310 helixtrans-76.6-1-179.900000116.8H140 F144 N145H140-G142 VanDerWaalsContact C-N 3.31Å; H140-G142 PolarHBondContact ND1-N 3.2Å; H140-G142 PolarHBondContact O-N 3.25Å; H140-G142 VanDerWaalsContact O-N 3.1Å; G142-F144 VanDerWaalsContact C-N 3.26Å; G142-F144 PolarHBondContact O-N 3.28Å; G142-N145 WeakPolarHBondContact CA-ND2 3.42Å; G142-N145 WeakPolarHBondContact O-CB 3.32Å; G142-N145 PolarHBondContact O-N 2.99Å
143A95.2Very high95.5Very high4 Ų444.8 Ų44.83%0.03324%0.237CC..G310 helixtrans-68.7-20.2-171.400000114.8I115 I139 H140 Q141I115-A143 HydrophobicContact CG2-CB 3.77Å; I139-A143 HydrophobicContact CG2-CB 4.09Å; H140-A143 HydrophobicContact CB-CB 4.48Å; H140-A143 WeakPolarHBondContact O-CB 3.35Å; H140-A143 PolarHBondContact O-N 2.94Å; Q141-A143 VanDerWaalsContact C-N 3.3Å; Q141-A143 PolarHBondContact O-N 2.89Å
144F95.4Very high95.5Very high1 Ų141.8 Ų41.80%0.00422%0.221CC..G310 helixtrans-107.87.3178.6-65.4-15000113.3F120 L129 I139 G142 D146 L147 L153 L155 P164 A167 I168 M171F120-F144 HydrophobicContact CD2-CD1 4.24Å; F120-F144 HydrophobicContact CD2-CE1 4.08Å; F120-F144 HydrophobicContact CE2-CE1 4.05Å; L129-F144 HydrophobicContact CD2-CE1 4.06Å; I139-F144 HydrophobicContact CD1-CE2 4.42Å; I139-F144 HydrophobicContact CD1-CZ 3.98Å; I139-F144 HydrophobicContact CG2-CE1 4.2Å; I139-F144 HydrophobicContact CG2-CE2 4.28Å; I139-F144 HydrophobicContact CG2-CZ 4.01Å; G142-F144 VanDerWaalsContact C-N 3.26Å; G142-F144 PolarHBondContact O-N 3.28Å; F144-D146 VanDerWaalsContact C-N 3.25Å; F144-D146 PolarHBondContact O-N 2.77Å; F144-D146 VanDerWaalsContact O-N 3.17Å; F144-L147 HydrophobicContact CB-CD1 4.33Å; F144-L147 HydrophobicContact CD1-CD1 3.68Å; F144-L147 HydrophobicContact CE1-CD1 4.36Å; F144-L147 HydrophobicContact CG-CD1 4.24Å; F144-L147 PolarHBondContact O-N 2.9Å; F144-L147 VanDerWaalsContact O-N 3.09Å; F144-L153 HydrophobicContact CE2-CD2 3.99Å; F144-L153 HydrophobicContact CZ-CD1 4.35Å; F144-L155 HydrophobicContact CE2-CD1 4.32Å; F144-L155 HydrophobicContact CZ-CD1 4.39Å; F144-L155 HydrophobicContact CZ-CD2 4.44Å; F144-P164 HydrophobicContact CB-CG 4.45Å; F144-P164 HydrophobicContact CD2-CG 3.48Å; F144-P164 VanDerWaalsContact CD2-CG 3.48Å; F144-P164 HydrophobicContact CE2-CG 3.93Å; F144-P164 HydrophobicContact CG-CG 4.1Å; F144-A167 HydrophobicContact CB-CB 3.81Å; F144-I168 HydrophobicContact CD2-CG1 4.44Å; F144-M171 HydrophobicContact CB-CE 3.75Å; F144-M171 HydrophobicContact CD2-CE 4.12Å; F144-M171 HydrophobicContact CG-CE 4.16Å
145N91.9Very high95.5Very high79 Ų7941.1 Ų41.142%0.42222%0.218SC..THydrogen-bonded Turntrans-58.6-33.5-172.5-80.4-3.4000114.5G142 L148 R170G142-N145 WeakPolarHBondContact CA-ND2 3.42Å; G142-N145 WeakPolarHBondContact O-CB 3.32Å; G142-N145 PolarHBondContact O-N 2.99Å; N145-L148 WeakPolarHBondContact O-CD2 3.36Å; N145-R170 PolarHBondContact O-NH1 2.85Å
146D90.1Very high95.5Very high72 Ų7237.2 Ų37.239%0.38520%0.199SC..THydrogen-bonded Turntrans-85.8-15.8-178.5-67.3-2.9000113.3S121 G122 F144 L148S121-D146 WeakPolarHBondContact CA-OD2 3.44Å; G122-D146 PolarHBondContact N-OD2 2.8Å; F144-D146 VanDerWaalsContact C-N 3.25Å; F144-D146 PolarHBondContact O-N 2.77Å; F144-D146 VanDerWaalsContact O-N 3.17Å; D146-L148 PolarHBondContact O-N 3.44Å
147L93.1Very high95.6Very high0 Ų042.6 Ų42.60%022%0.221CC..  trans-85.849.7-167.6-56.3-177.1000112.5F120 M123 L126 L129 F144 L150 M171F120-L147 HydrophobicContact CB-CD1 4.46Å; F120-L147 HydrophobicContact CD2-CD1 4.48Å; M123-L147 HydrophobicContact CB-CD2 4.11Å; M123-L147 HydrophobicContact CE-CD2 4.36Å; L126-L147 HydrophobicContact CB-CD2 4.26Å; L126-L147 HydrophobicContact CD2-CD2 4.16Å; L129-L147 HydrophobicContact CD2-CD1 3.7Å; F144-L147 HydrophobicContact CB-CD1 4.33Å; F144-L147 HydrophobicContact CD1-CD1 3.68Å; F144-L147 HydrophobicContact CE1-CD1 4.36Å; F144-L147 HydrophobicContact CG-CD1 4.24Å; F144-L147 PolarHBondContact O-N 2.9Å; F144-L147 VanDerWaalsContact O-N 3.09Å; L147-L150 WeakPolarHBondContact O-CB 3.5Å; L147-M171 HydrophobicContact CB-CE 4.17Å
148L92Very high95.7Very high73 Ų7339.5 Ų39.538%0.38220%0.202SC..THydrogen-bonded Turntrans-79.1-20.7-172.3-52.4-176.7000114N145 D146 L150 R170N145-L148 WeakPolarHBondContact O-CD2 3.36Å; D146-L148 PolarHBondContact O-N 3.44Å; L148-L150 VanDerWaalsContact C-N 3.28Å; L148-R170 HydrophobicContact CD2-CB 4.37Å
149A94.9Very high95.8Very high26 Ų2638 Ų3822%0.21519%0.194CC..THydrogen-bonded Turntrans-85.44.2177.700000113.6S124 L126 E151S124-A149 WeakPolarHBondContact O-CB 3.45Å; L126-A149 CarbonylContact O-C 3.57Å; L126-A149 VanDerWaalsContact O-C 3.26Å; A149-E151 PolarHBondContact O-N 2.92Å
150L96.9Very high95.8Very high0 Ų037.8 Ų37.80%019%0.193CC..  trans-67.8131.2-170.6-15371.5000111.7L126 H127 L129 L147 L148 L153 M171 S173 L174L126-L150 HydrophobicContact CB-CD1 4.36Å; L126-L150 HydrophobicContact CD2-CD1 4.03Å; L126-L150 HydrophobicContact CG-CD1 4.14Å; L126-L150 WeakPolarHBondContact O-CA 3.28Å; L126-L150 PolarHBondContact O-N 3.36Å; H127-L150 WeakPolarHBondContact O-CD1 3.06Å; L129-L150 HydrophobicContact CB-CD1 3.89Å; L129-L150 HydrophobicContact CB-CD2 4.33Å; L147-L150 WeakPolarHBondContact O-CB 3.5Å; L148-L150 VanDerWaalsContact C-N 3.28Å; L150-L153 HydrophobicContact CD2-CB 3.78Å; L150-L153 HydrophobicContact CD2-CD1 4.14Å; L150-L153 HydrophobicContact CD2-CD2 4.39Å; L150-L153 HydrophobicContact CD2-CG 4.32Å; L150-M171 HydrophobicContact CB-SD 4.22Å; L150-M171 HydrophobicContact CD2-CE 4.17Å; L150-M171 HydrophobicContact CD2-SD 3.85Å; L150-S173 CarbonylContact O-C 3.55Å; L150-L174 HydrophobicContact CB-CD1 4.44Å; L150-L174 HydrophobicContact CD2-CD1 4.35Å; L150-L174 HydrophobicContact CG-CD1 4.33Å; L150-L174 WeakPolarHBondContact O-CA 3Å; L150-L174 PolarHBondContact O-N 2.9Å; L150-L174 VanDerWaalsContact O-N 3.11Å
151E97.3Very high95.8Very high56 Ų5637.2 Ų37.226%0.26219%0.193SC..SBendtrans-109.9-26.2179.9-64.6-169.914100111.5H127 A149 H175 T176H127-E151 HydrophobicContact CB-CB 4.36Å; H127-E151 HydrophobicContact CB-CG 4.28Å; H127-E151 IonicContact CE1-OE1 2.7Å; H127-E151 IonicContact CE1-OE2 3.25Å; H127-E151 IonicContact CG-OE2 2.74Å; H127-E151 IonicContact ND1-OE1 2.85Å; H127-E151 IonicContact ND1-OE2 3.62Å; H127-E151 PolarHBondContact ND1-OE2 3.19Å; H127-E151 WeakPolarHBondContact O-CA 3.37Å; H127-E151 PolarHBondContact O-N 2.86Å; A149-E151 PolarHBondContact O-N 2.92Å; E151-H175 PolarHBondContact O-N 3.19Å; E151-H175 IonicContact OE1-CE1 2.9Å; E151-T176 PolarHBondContact O-N 2.87Å
152E98.1Very high95.9Very high60 Ų6035.4 Ų35.428%0.2819%0.191SC..EExtended strand (participates in β ladder)trans-142.3124.4178.5-180168.8-133.700111.2H127 H128 L129 I130 T176H127-E152 PolarHBondContact O-N 2.84Å; H128-E152 IonicContact CE1-OE2 2.63Å; H128-E152 IonicContact CG-OE2 3.25Å; H128-E152 IonicContact ND1-OE2 3.41Å; H128-E152 PolarHBondContact ND1-OE2 3.06Å; L129-E152 PolarHBondContact N-O 3.1Å; I130-E152 HydrophobicContact CD1-CG 3.94Å; E152-T176 HydrophobicContact CG-CG2 4.37Å
153L98.2Very high96Very high0 Ų034.8 Ų34.80%018%0.182CC..EExtended strand (participates in β ladder)trans-123.9116.7173.4179.856.2000109.5L129 F144 L150 L155 I168 L174 T176 L177 S178L129-L153 HydrophobicContact CB-CD1 4.14Å; L129-L153 HydrophobicContact CD2-CD1 4.05Å; L129-L153 HydrophobicContact CG-CD1 4.14Å; F144-L153 HydrophobicContact CE2-CD2 3.99Å; F144-L153 HydrophobicContact CZ-CD1 4.35Å; L150-L153 HydrophobicContact CD2-CB 3.78Å; L150-L153 HydrophobicContact CD2-CD1 4.14Å; L150-L153 HydrophobicContact CD2-CD2 4.39Å; L150-L153 HydrophobicContact CD2-CG 4.32Å; L153-L155 HydrophobicContact CD1-CD1 4.25Å; L153-L155 HydrophobicContact CD1-CD2 4.36Å; L153-L155 HydrophobicContact CD1-CG 3.98Å; L153-L155 HydrophobicContact CD2-CD1 4.08Å; L153-L155 HydrophobicContact CG-CD1 4.13Å; L153-L155 HydrophobicContact CG-CG 4.13Å; L153-I168 HydrophobicContact CD2-CD1 4.38Å; L153-I168 HydrophobicContact CD2-CG1 4.41Å; L153-L174 HydrophobicContact CB-CD1 4.02Å; L153-T176 PolarHBondContact N-O 2.81Å; L153-L177 HydrophobicContact CB-CD1 3.99Å; L153-L177 HydrophobicContact CD2-CD1 3.89Å; L153-L177 HydrophobicContact CG-CD1 4.01Å; L153-S178 PolarHBondContact O-N 2.87Å
154D98.5Very high96.1Very high19 Ų1934.6 Ų34.610%0.10218%0.181CC..EExtended strand (participates in β ladder)trans-119.9105.8-179.7178.815.3000110.1L129 I130 L131 N132 S156L129-D154 PolarHBondContact O-N 3.45Å; I130-D154 HydrophobicContact CD1-CB 3.91Å; I130-D154 HydrophobicContact CG2-CB 4.27Å; L131-D154 CarbonylContact C-O 3.41Å; L131-D154 WeakPolarHBondContact CA-O 3.29Å; L131-D154 WeakPolarHBondContact CB-O 3.34Å; L131-D154 PolarHBondContact N-O 3.24Å; N132-D154 WeakPolarHBondContact CB-OD1 3.32Å; N132-D154 WeakPolarHBondContact CB-OD2 3.47Å; N132-D154 PolarHBondContact N-O 2.84Å; N132-D154 PolarHBondContact ND2-OD2 3.34Å; N132-D154 PolarHBondContact OD1-OD2 3.1Å; D154-S156 WeakPolarHBondContact OD1-CB 3.32Å; D154-S156 PolarHBondContact OD1-N 3.04Å; D154-S156 PolarHBondContact OD1-OG 3.06Å
155L98.3Very high96.1Very high0 Ų035.4 Ų35.40%018%0.184CC..  trans-112.39.8-179.9-68.7169.8000112.2L131 L136 I139 F144 L153 N158 L160 I163 S178 L179 N182L131-L155 HydrophobicContact CB-CD2 3.91Å; L131-L155 HydrophobicContact CD1-CD2 3.76Å; L131-L155 HydrophobicContact CG-CD2 4.5Å; L136-L155 HydrophobicContact CD1-CD2 4.46Å; I139-L155 HydrophobicContact CD1-CD1 4.1Å; I139-L155 HydrophobicContact CD1-CD2 3.88Å; F144-L155 HydrophobicContact CE2-CD1 4.32Å; F144-L155 HydrophobicContact CZ-CD1 4.39Å; F144-L155 HydrophobicContact CZ-CD2 4.44Å; L153-L155 HydrophobicContact CD1-CD1 4.25Å; L153-L155 HydrophobicContact CD1-CD2 4.36Å; L153-L155 HydrophobicContact CD1-CG 3.98Å; L153-L155 HydrophobicContact CD2-CD1 4.08Å; L153-L155 HydrophobicContact CG-CD1 4.13Å; L153-L155 HydrophobicContact CG-CG 4.13Å; L155-N158 PolarHBondContact O-ND2 2.91Å; L155-L160 HydrophobicContact CB-CD1 4.06Å; L155-L160 HydrophobicContact CD1-CD1 4.32Å; L155-L160 HydrophobicContact CD2-CD1 4.38Å; L155-I163 HydrophobicContact CD1-CG2 4.21Å; L155-S178 PolarHBondContact N-O 3.41Å; L155-L179 HydrophobicContact CB-CD2 4.06Å; L155-L179 HydrophobicContact CD1-CD2 3.93Å; L155-N182 PolarHBondContact O-ND2 2.91Å
156S98.4Very high96.1Very high2 Ų237.7 Ų37.71%0.01419%0.192CC..  trans-62.7158.6-171.3-56.80000113.9N132 N133 D154 N158 S178 D180N132-S156 CarbonylContact C-O 3.44Å; N132-S156 WeakPolarHBondContact CA-O 3.45Å; N132-S156 WeakPolarHBondContact CB-O 3.32Å; N133-S156 PolarHBondContact N-O 2.95Å; D154-S156 WeakPolarHBondContact OD1-CB 3.32Å; D154-S156 PolarHBondContact OD1-N 3.04Å; D154-S156 PolarHBondContact OD1-OG 3.06Å; S156-N158 PolarHBondContact O-ND2 3.27Å; S156-S178 VanDerWaalsContact OG-CB 3.25Å; S156-S178 WeakPolarHBondContact OG-CB 3.38Å; S156-D180 CarbonylContact C-O 3.57Å; S156-D180 WeakPolarHBondContact CA-O 3.39Å; S156-D180 WeakPolarHBondContact CB-O 3.31Å; S156-D180 WeakPolarHBondContact CB-OD1 3.19Å; S156-D180 VanDerWaalsContact OG-CG 3.31Å; S156-D180 PolarHBondContact OG-N 2.89Å; S156-D180 PolarHBondContact OG-OD1 2.91Å
157Y98.4Very high96.4Very high114 Ų11434.4 Ų34.445%0.44718%0.175SC..SBendtrans52.563.5-177.4-63.5-101.4000111.7N133 N134 D180 H181N133-Y157 CarbonylContact C-O 3.25Å; N133-Y157 WeakPolarHBondContact CA-O 3.34Å; N133-Y157 PolarHBondContact N-O 2.81Å; N134-Y157 PolarHBondContact N-O 2.93Å; N134-Y157 VanDerWaalsContact N-O 3.08Å; Y157-D180 WeakPolarHBondContact CE2-OD2 3.01Å; Y157-D180 PolarHBondContact N-O 2.96Å; Y157-H181 CarbonylContact C-O 3.54Å; Y157-H181 WeakPolarHBondContact CA-O 3.44Å; Y157-H181 HydrophobicContact CD1-CB 3.85Å; Y157-H181 HydrophobicContact CD2-CB 4.12Å; Y157-H181 HydrophobicContact CE1-CB 4.06Å; Y157-H181 AromaticContact CE1-CG 3.71Å; Y157-H181 AromaticContact CE1-ND1 3.88Å; Y157-H181 HydrophobicContact CE2-CB 4.3Å; Y157-H181 AromaticContact CE2-ND1 3.51Å; Y157-H181 HydrophobicContact CG-CB 3.89Å; Y157-H181 AromaticContact CZ-CE1 3.77Å; Y157-H181 AromaticContact CZ-CG 3.68Å; Y157-H181 AromaticContact CZ-ND1 3.34Å; Y157-H181 VanDerWaalsContact CZ-ND1 3.34Å; Y157-H181 PolarHBondContact N-O 3.34Å; Y157-H181 PolarHBondContact OH-CE1 3.48Å; Y157-H181 PolarHBondContact OH-ND1 2.85Å
158N98.6Very high96.5Very high6 Ų634.4 Ų34.43%0.03218%0.175CC..SBendtrans-139.6-174.1175.5-84.4-75.7000109.6L131 N134 Q135 L136 L155 S156 L160 H181 N182L131-N158 PolarHBondContact O-ND2 2.85Å; N134-N158 WeakPolarHBondContact CA-OD1 3.48Å; N134-N158 WeakPolarHBondContact CB-OD1 3.35Å; Q135-N158 PolarHBondContact N-OD1 2.66Å; L136-N158 HydrophobicContact CB-CB 4.25Å; L136-N158 VanDerWaalsContact CB-OD1 3.31Å; L136-N158 WeakPolarHBondContact CB-OD1 3.32Å; L136-N158 WeakPolarHBondContact CG-OD1 3.19Å; L136-N158 PolarHBondContact N-OD1 2.88Å; L155-N158 PolarHBondContact O-ND2 2.91Å; S156-N158 PolarHBondContact O-ND2 3.27Å; N158-L160 HydrophobicContact CB-CD1 4.2Å; N158-L160 HydrophobicContact CB-CG 4.11Å; N158-H181 PolarHBondContact N-O 2.03Å; N158-H181 VanDerWaalsContact O-O 3.09Å; N158-N182 WeakPolarHBondContact CA-OD1 3.46Å; N158-N182 WeakPolarHBondContact CB-OD1 3.29Å; N158-N182 PolarHBondContact O-OD1 3.5Å
159N97.9Very high96.6Very high76 Ų7634.1 Ų34.141%0.40617%0.171SC..  trans-115.535.8-177.5-52.8-46.9000110.8Q135 L136 V137 D161Q135-N159 PolarHBondContact O-ND2 2.91Å; L136-N159 CarbonylContact O-C 3.28Å; L136-N159 VanDerWaalsContact O-CA 3.28Å; L136-N159 WeakPolarHBondContact O-CA 3.27Å; L136-N159 WeakPolarHBondContact O-CB 3.33Å; L136-N159 PolarHBondContact O-N 3.4Å; V137-N159 HydrophobicContact CG2-CB 4.07Å; N159-D161 PolarHBondContact O-N 2.83Å
160L97.8Very high96.5Very high1 Ų138.4 Ų38.41%0.00518%0.182CC..  trans-80.9114.9-170.5-63.4166.1000111.1L136 I139 L155 N158 I163 N182 M183 L184L136-L160 HydrophobicContact CB-CD2 3.84Å; L136-L160 HydrophobicContact CB-CG 4.3Å; L136-L160 PolarHBondContact O-N 3.13Å; I139-L160 HydrophobicContact CD1-CD1 3.92Å; I139-L160 HydrophobicContact CD1-CD2 3.82Å; I139-L160 HydrophobicContact CG1-CD2 3.84Å; L155-L160 HydrophobicContact CB-CD1 4.06Å; L155-L160 HydrophobicContact CD1-CD1 4.32Å; L155-L160 HydrophobicContact CD2-CD1 4.38Å; N158-L160 HydrophobicContact CB-CD1 4.2Å; N158-L160 HydrophobicContact CB-CG 4.11Å; L160-I163 HydrophobicContact CB-CG2 4.28Å; L160-I163 HydrophobicContact CD1-CG2 3.87Å; L160-I163 HydrophobicContact CG-CG2 4.49Å; L160-N182 VanDerWaalsContact CB-OD1 3.3Å; L160-N182 WeakPolarHBondContact CB-OD1 3.41Å; L160-N182 WeakPolarHBondContact CG-OD1 3.24Å; L160-N182 PolarHBondContact N-OD1 2.99Å; L160-N182 VanDerWaalsContact N-OD1 3.11Å; L160-M183 CarbonylContact O-C 3.09Å; L160-M183 WeakPolarHBondContact O-CA 3.48Å; L160-M183 PolarHBondContact O-N 2.77Å; L160-L184 HydrophobicContact CB-CD2 4.37Å; L160-L184 WeakPolarHBondContact O-CD2 3.43Å; L160-L184 PolarHBondContact O-N 3.49Å
161D94.3Very high96.4Very high83 Ų8338.4 Ų38.444%0.44418%0.182SC..SBendtrans-74.9-30.2171-49.3-39.4000111.2N159 M183N159-D161 PolarHBondContact O-N 2.83Å; D161-M183 WeakPolarHBondContact OD1-CB 3.48Å
162S95.5Very high96.2Very high52 Ų5239.3 Ų39.336%0.36419%0.192SC..  trans-157.2162.917659.70000112.3
163I96.1Very high96Very high6 Ų637.8 Ų37.83%0.03119%0.188CC..  trans-134.1160.7178.662.8-178000110.4I139 L155 L160 W165 I168 L179 L184I139-I163 HydrophobicContact CD1-CG2 4.27Å; L155-I163 HydrophobicContact CD1-CG2 4.21Å; L160-I163 HydrophobicContact CB-CG2 4.28Å; L160-I163 HydrophobicContact CD1-CG2 3.87Å; L160-I163 HydrophobicContact CG-CG2 4.49Å; I163-W165 VanDerWaalsContact C-N 3.29Å; I163-W165 HydrophobicContact CD1-CD2 4.43Å; I163-W165 HydrophobicContact CD1-CE3 3.95Å; I163-W165 HydrophobicContact CD1-CH2 3.66Å; I163-W165 HydrophobicContact CD1-CZ2 4.15Å; I163-W165 HydrophobicContact CD1-CZ3 3.55Å; I163-W165 HydrophobicContact CG1-CD2 3.75Å; I163-W165 HydrophobicContact CG1-CE3 3.77Å; I163-W165 HydrophobicContact CG1-CH2 3.76Å; I163-W165 HydrophobicContact CG1-CZ2 3.72Å; I163-W165 HydrophobicContact CG1-CZ3 3.79Å; I163-W165 PolarHBondContact O-N 2.9Å; I163-I168 HydrophobicContact CB-CD1 4.35Å; I163-I168 HydrophobicContact CD1-CD1 3.42Å; I163-I168 VanDerWaalsContact CD1-CD1 3.42Å; I163-I168 HydrophobicContact CG1-CD1 3.78Å; I163-L179 HydrophobicContact CD1-CD1 3.78Å; I163-L179 HydrophobicContact CD1-CD2 3.58Å; I163-L179 HydrophobicContact CD1-CG 4.36Å; I163-L184 HydrophobicContact CG2-CD2 4.25Å
164P96.1Very high95.9Very high0 Ų037.8 Ų37.80%019%0.188CC..  trans-72.978-177.830-38.1000112.9I139 Q141 F144 E166 A167 I168I139-P164 HydrophobicContact CG2-CG 3.95Å; Q141-P164 WeakPolarHBondContact O-CB 3.34Å; F144-P164 HydrophobicContact CB-CG 4.45Å; F144-P164 HydrophobicContact CD2-CG 3.48Å; F144-P164 VanDerWaalsContact CD2-CG 3.48Å; F144-P164 HydrophobicContact CE2-CG 3.93Å; F144-P164 HydrophobicContact CG-CG 4.1Å; P164-E166 VanDerWaalsContact C-N 3.28Å; P164-E166 PolarHBondContact O-N 3.1Å; P164-A167 HydrophobicContact CB-CB 4.23Å; P164-A167 WeakPolarHBondContact O-CB 3.29Å; P164-A167 PolarHBondContact O-N 2.93Å; P164-I168 PolarHBondContact O-N 3.16Å
165W95.2Very high95.8Very high18 Ų1839.4 Ų39.47%0.06819%0.194CC..Hα-helixtrans-54.4-38.8-176.6-58.2114.3000113.5I163 A167 I168 Q169 L179 L184 Y186 I187 P188 T191I163-W165 VanDerWaalsContact C-N 3.29Å; I163-W165 HydrophobicContact CD1-CD2 4.43Å; I163-W165 HydrophobicContact CD1-CE3 3.95Å; I163-W165 HydrophobicContact CD1-CH2 3.66Å; I163-W165 HydrophobicContact CD1-CZ2 4.15Å; I163-W165 HydrophobicContact CD1-CZ3 3.55Å; I163-W165 HydrophobicContact CG1-CD2 3.75Å; I163-W165 HydrophobicContact CG1-CE3 3.77Å; I163-W165 HydrophobicContact CG1-CH2 3.76Å; I163-W165 HydrophobicContact CG1-CZ2 3.72Å; I163-W165 HydrophobicContact CG1-CZ3 3.79Å; I163-W165 PolarHBondContact O-N 2.9Å; W165-A167 VanDerWaalsContact C-N 3.28Å; W165-A167 PolarHBondContact O-N 3.34Å; W165-I168 HydrophobicContact CE3-CD1 4.43Å; W165-I168 PolarHBondContact O-N 3.49Å; W165-Q169 WeakPolarHBondContact O-CB 3.34Å; W165-Q169 PolarHBondContact O-N 3.34Å; W165-L179 HydrophobicContact CH2-CD1 4.1Å; W165-L179 HydrophobicContact CZ3-CD1 4.23Å; W165-L184 HydrophobicContact CH2-CD1 4.29Å; W165-L184 HydrophobicContact CZ2-CD2 4.42Å; W165-Y186 WeakPolarHBondContact CZ2-O 3.37Å; W165-I187 HydrophobicContact CE3-CG2 4.33Å; W165-I187 HydrophobicContact CH2-CB 4.24Å; W165-I187 HydrophobicContact CH2-CD1 4.34Å; W165-I187 HydrophobicContact CH2-CG1 3.78Å; W165-I187 HydrophobicContact CH2-CG2 3.96Å; W165-I187 HydrophobicContact CZ2-CB 4.45Å; W165-I187 HydrophobicContact CZ2-CG1 4.17Å; W165-I187 HydrophobicContact CZ2-CG2 4.43Å; W165-I187 HydrophobicContact CZ3-CG2 3.9Å; W165-P188 HydrophobicContact CB-CG 3.92Å; W165-P188 VanDerWaalsContact CD1-CG 3.46Å; W165-P188 HydrophobicContact CD2-CG 4.2Å; W165-P188 HydrophobicContact CG-CG 3.61Å; W165-T191 HydrophobicContact CE3-CG2 3.76Å; W165-T191 HydrophobicContact CZ3-CG2 4.39Å
166E93.8Very high95.7Very high128 Ų12840.8 Ų40.860%0.59820%0.203SC*.Hα-helixtrans-60.6-33.6176.2-59.8179.8137.700113.1Q141 P164 R170Q141-E166 PolarHBondContact NE2-OE2 3.29Å; P164-E166 VanDerWaalsContact C-N 3.28Å; P164-E166 PolarHBondContact O-N 3.1Å; E166-R170 WeakPolarHBondContact O-CD 3.12Å; E166-R170 WeakPolarHBondContact O-CG 3.37Å
167A94.4Very high95.6Very high3 Ų340.7 Ų40.73%0.02520%0.202CC..Hα-helixtrans-77-39.8176.300000110.9F144 P164 W165 R170F144-A167 HydrophobicContact CB-CB 3.81Å; P164-A167 HydrophobicContact CB-CB 4.23Å; P164-A167 WeakPolarHBondContact O-CB 3.29Å; P164-A167 PolarHBondContact O-N 2.93Å; W165-A167 VanDerWaalsContact C-N 3.28Å; W165-A167 PolarHBondContact O-N 3.34Å; A167-R170 WeakPolarHBondContact O-CB 3.01Å; A167-R170 PolarHBondContact O-N 2.91Å
168I95.2Very high95.6Very high0 Ų036.1 Ų36.10%019%0.187CC..Hα-helixtrans-65.4-41.9178.4-64.6170.5000111.1F144 L153 I163 P164 W165 R170 M171 L174 L177 L195F144-I168 HydrophobicContact CD2-CG1 4.44Å; L153-I168 HydrophobicContact CD2-CD1 4.38Å; L153-I168 HydrophobicContact CD2-CG1 4.41Å; I163-I168 HydrophobicContact CB-CD1 4.35Å; I163-I168 HydrophobicContact CD1-CD1 3.42Å; I163-I168 VanDerWaalsContact CD1-CD1 3.42Å; I163-I168 HydrophobicContact CG1-CD1 3.78Å; P164-I168 PolarHBondContact O-N 3.16Å; W165-I168 HydrophobicContact CE3-CD1 4.43Å; W165-I168 PolarHBondContact O-N 3.49Å; I168-R170 PolarHBondContact O-N 3.36Å; I168-M171 HydrophobicContact CG1-CE 4.47Å; I168-M171 HydrophobicContact CG1-SD 4.42Å; I168-M171 WeakPolarHBondContact O-CB 3.02Å; I168-M171 PolarHBondContact O-N 3.11Å; I168-L174 HydrophobicContact CG2-CD2 4.39Å; I168-L177 HydrophobicContact CG2-CD2 4.08Å; I168-L195 HydrophobicContact CG2-CD1 4.29Å
169Q94.1Very high95.6Very high66 Ų6635.9 Ų35.931%0.30819%0.186SC..THydrogen-bonded Turntrans-56-24.1175.2-172.1-178.428.300113.1W165 G190 L194W165-Q169 WeakPolarHBondContact O-CB 3.34Å; W165-Q169 PolarHBondContact O-N 3.34Å; Q169-G190 PolarHBondContact NE2-O 2.82Å; Q169-G190 VanDerWaalsContact NE2-O 3.11Å; Q169-L194 HydrophobicContact CG-CD1 4.31Å
170R93.3Very high95.6Very high116 Ų11633.2 Ų33.244%0.43817%0.172SC..THydrogen-bonded Turntrans-88.1-9178.1-65.1168.760.4-115.8-3.2114N145 L148 E166 A167 I168 T172N145-R170 PolarHBondContact O-NH1 2.85Å; L148-R170 HydrophobicContact CD2-CB 4.37Å; E166-R170 WeakPolarHBondContact O-CD 3.12Å; E166-R170 WeakPolarHBondContact O-CG 3.37Å; A167-R170 WeakPolarHBondContact O-CB 3.01Å; A167-R170 PolarHBondContact O-N 2.91Å; I168-R170 PolarHBondContact O-N 3.36Å; R170-T172 VanDerWaalsContact C-N 3.27Å; R170-T172 PolarHBondContact O-N 2.94Å
171M94.6Very high95.6Very high0 Ų036.2 Ų36.20%019%0.185CC..  trans-81.263.1-177.7-61.617817900111.8F144 L147 L150 I168 S173 L174 L195F144-M171 HydrophobicContact CB-CE 3.75Å; F144-M171 HydrophobicContact CD2-CE 4.12Å; F144-M171 HydrophobicContact CG-CE 4.16Å; L147-M171 HydrophobicContact CB-CE 4.17Å; L150-M171 HydrophobicContact CB-SD 4.22Å; L150-M171 HydrophobicContact CD2-CE 4.17Å; L150-M171 HydrophobicContact CD2-SD 3.85Å; I168-M171 HydrophobicContact CG1-CE 4.47Å; I168-M171 HydrophobicContact CG1-SD 4.42Å; I168-M171 WeakPolarHBondContact O-CB 3.02Å; I168-M171 PolarHBondContact O-N 3.11Å; M171-S173 PolarHBondContact O-N 2.94Å; M171-L174 HydrophobicContact CB-CB 4.13Å; M171-L174 VanDerWaalsContact O-CB 3.28Å; M171-L174 WeakPolarHBondContact O-CB 3.11Å; M171-L174 PolarHBondContact O-N 2.83Å; M171-L195 WeakPolarHBondContact O-CD2 3.2Å
172T93.4Very high95.8Very high75 Ų7532.6 Ų32.646%0.4617%0.166SC..THydrogen-bonded Turntrans-63.6-1.9-173.159.20000115.7R170 L194 K197R170-T172 VanDerWaalsContact C-N 3.27Å; R170-T172 PolarHBondContact O-N 2.94Å; T172-L194 HydrophobicContact CG2-CB 4.43Å; T172-K197 WeakPolarHBondContact O-CE 3.23Å
173S94.8Very high95.9Very high28 Ų2833.8 Ų33.820%0.19617%0.167CC..THydrogen-bonded Turntrans-102.60.5171.3-66.50000115.1L150 M171 H175 K197L150-S173 CarbonylContact O-C 3.55Å; M171-S173 PolarHBondContact O-N 2.94Å; S173-H175 PolarHBondContact O-CE1 3.2Å; S173-H175 PolarHBondContact O-N 2.83Å; S173-H175 PolarHBondContact O-ND1 2.03Å; S173-H175 VanDerWaalsContact O-ND1 3.09Å; S173-K197 PolarHBondContact OG-NZ 2.82Å
174L96.2Very high96Very high0 Ų033.6 Ų33.60%017%0.166CC..  trans-67125.8-177.1-160.970.4000111.4L150 L153 I168 M171 L177 L195 K197 L198L150-L174 HydrophobicContact CB-CD1 4.44Å; L150-L174 HydrophobicContact CD2-CD1 4.35Å; L150-L174 HydrophobicContact CG-CD1 4.33Å; L150-L174 WeakPolarHBondContact O-CA 3Å; L150-L174 PolarHBondContact O-N 2.9Å; L150-L174 VanDerWaalsContact O-N 3.11Å; L153-L174 HydrophobicContact CB-CD1 4.02Å; I168-L174 HydrophobicContact CG2-CD2 4.39Å; M171-L174 HydrophobicContact CB-CB 4.13Å; M171-L174 VanDerWaalsContact O-CB 3.28Å; M171-L174 WeakPolarHBondContact O-CB 3.11Å; M171-L174 PolarHBondContact O-N 2.83Å; L174-L177 HydrophobicContact CD2-CB 4.01Å; L174-L177 HydrophobicContact CD2-CD1 4.4Å; L174-L177 HydrophobicContact CD2-CD2 4.26Å; L174-L177 HydrophobicContact CD2-CG 4.46Å; L174-L195 HydrophobicContact CD2-CD1 4.37Å; L174-K197 CarbonylContact O-C 3.55Å; L174-L198 HydrophobicContact CD2-CD1 4.23Å; L174-L198 HydrophobicContact CG-CD1 4.18Å; L174-L198 WeakPolarHBondContact O-CA 3.16Å; L174-L198 PolarHBondContact O-N 2.02Å
175H94.9Very high95.9Very high53 Ų5337.7 Ų37.725%0.24519%0.188CC..  trans-106.7-36.9177.8-56.5101.4000112E151 S173 K197 N199 R200E151-H175 PolarHBondContact O-N 3.19Å; E151-H175 IonicContact OE1-CE1 2.9Å; S173-H175 PolarHBondContact O-CE1 3.2Å; S173-H175 PolarHBondContact O-N 2.83Å; S173-H175 PolarHBondContact O-ND1 2.03Å; S173-H175 VanDerWaalsContact O-ND1 3.09Å; H175-K197 PolarHBondContact CD2-O 3.17Å; H175-K197 WeakPolarHBondContact NE2-CD 3.48Å; H175-N199 PolarHBondContact O-N 2.97Å; H175-R200 PolarHBondContact O-N 2.79Å
176T96.5Very high95.9Very high30 Ų3043.6 Ų43.618%0.18421%0.211CC..EExtended strand (participates in β ladder)trans-125.6127.6180-59.70000110.1E151 E152 L153 R200E151-T176 PolarHBondContact O-N 2.87Å; E152-T176 HydrophobicContact CG-CG2 4.37Å; L153-T176 PolarHBondContact N-O 2.81Å; T176-R200 HydrophobicContact CG2-CB 4.33Å
177L97.6Very high96Very high0 Ų038.1 Ų38.10%019%0.185CC..EExtended strand (participates in β ladder)trans-126.4109.8169.6-179.654.1000109.3L153 I168 L174 L179 F192 L198 R200 L201 D202L153-L177 HydrophobicContact CB-CD1 3.99Å; L153-L177 HydrophobicContact CD2-CD1 3.89Å; L153-L177 HydrophobicContact CG-CD1 4.01Å; I168-L177 HydrophobicContact CG2-CD2 4.08Å; L174-L177 HydrophobicContact CD2-CB 4.01Å; L174-L177 HydrophobicContact CD2-CD1 4.4Å; L174-L177 HydrophobicContact CD2-CD2 4.26Å; L174-L177 HydrophobicContact CD2-CG 4.46Å; L177-L179 HydrophobicContact CD1-CD1 4.42Å; L177-L179 HydrophobicContact CD1-CD2 3.87Å; L177-L179 HydrophobicContact CD1-CG 4.05Å; L177-L179 HydrophobicContact CD2-CD1 4.22Å; L177-L179 HydrophobicContact CG-CD1 4.12Å; L177-L179 HydrophobicContact CG-CD2 4.39Å; L177-L179 HydrophobicContact CG-CG 4.02Å; L177-F192 HydrophobicContact CD2-CE1 4.1Å; L177-L198 HydrophobicContact CB-CD1 4.04Å; L177-R200 PolarHBondContact N-O 3.01Å; L177-L201 HydrophobicContact CB-CD1 4.03Å; L177-L201 HydrophobicContact CD2-CD1 3.91Å; L177-L201 HydrophobicContact CG-CD1 3.91Å; L177-L201 WeakPolarHBondContact O-CA 3.34Å; L177-D202 PolarHBondContact O-N 3.41Å
178S98.3Very high96Very high17 Ų1739.8 Ų39.812%0.11920%0.196CC..EExtended strand (participates in β ladder)trans-108.1118.5178.1-50.20000109.7L153 L155 S156L153-S178 PolarHBondContact O-N 2.87Å; L155-S178 PolarHBondContact N-O 3.41Å; S156-S178 VanDerWaalsContact OG-CB 3.25Å; S156-S178 WeakPolarHBondContact OG-CB 3.38Å
179L98Very high95.8Very high1 Ų146.9 Ų46.91%0.00523%0.229CC..  trans-126.69.3-178.1-58.6176.7000111.6L155 I163 W165 L177 N182 L184 D202 V203 N206L155-L179 HydrophobicContact CB-CD2 4.06Å; L155-L179 HydrophobicContact CD1-CD2 3.93Å; I163-L179 HydrophobicContact CD1-CD1 3.78Å; I163-L179 HydrophobicContact CD1-CD2 3.58Å; I163-L179 HydrophobicContact CD1-CG 4.36Å; W165-L179 HydrophobicContact CH2-CD1 4.1Å; W165-L179 HydrophobicContact CZ3-CD1 4.23Å; L177-L179 HydrophobicContact CD1-CD1 4.42Å; L177-L179 HydrophobicContact CD1-CD2 3.87Å; L177-L179 HydrophobicContact CD1-CG 4.05Å; L177-L179 HydrophobicContact CD2-CD1 4.22Å; L177-L179 HydrophobicContact CG-CD1 4.12Å; L177-L179 HydrophobicContact CG-CD2 4.39Å; L177-L179 HydrophobicContact CG-CG 4.02Å; L179-N182 WeakPolarHBondContact O-CB 3.27Å; L179-N182 PolarHBondContact O-ND2 2.64Å; L179-N182 VanDerWaalsContact O-ND2 3.08Å; L179-L184 HydrophobicContact CB-CD1 3.97Å; L179-L184 HydrophobicContact CD1-CD1 3.92Å; L179-L184 HydrophobicContact CG-CD1 4.39Å; L179-D202 WeakPolarHBondContact CA-O 3Å; L179-D202 WeakPolarHBondContact CB-O 3.33Å; L179-D202 PolarHBondContact N-O 2.76Å; L179-V203 HydrophobicContact CB-CG1 4.26Å; L179-V203 HydrophobicContact CD1-CG1 4.17Å; L179-N206 PolarHBondContact O-ND2 3.46Å
180D97.4Very high95.7Very high21 Ų2145.1 Ų45.111%0.11223%0.229CC..  trans-64.2153.4-173.468.3-84.9000113.1S156 Y157 N182 T204S156-D180 CarbonylContact C-O 3.57Å; S156-D180 WeakPolarHBondContact CA-O 3.39Å; S156-D180 WeakPolarHBondContact CB-O 3.31Å; S156-D180 WeakPolarHBondContact CB-OD1 3.19Å; S156-D180 VanDerWaalsContact OG-CG 3.31Å; S156-D180 PolarHBondContact OG-N 2.89Å; S156-D180 PolarHBondContact OG-OD1 2.91Å; Y157-D180 WeakPolarHBondContact CE2-OD2 3.01Å; Y157-D180 PolarHBondContact N-O 2.96Å; D180-N182 PolarHBondContact O-ND2 3.32Å; D180-T204 CarbonylContact C-O 3.39Å; D180-T204 WeakPolarHBondContact CA-O 3.31Å; D180-T204 WeakPolarHBondContact CB-O 3.46Å
181H98.3Very high95.6Very high64 Ų6439.8 Ų39.830%0.29621%0.209SC..SBendtrans54.462.3-177.3-58.285.6000112.1Y157 N158 T204 S205Y157-H181 CarbonylContact C-O 3.54Å; Y157-H181 WeakPolarHBondContact CA-O 3.44Å; Y157-H181 HydrophobicContact CD1-CB 3.85Å; Y157-H181 HydrophobicContact CD2-CB 4.12Å; Y157-H181 HydrophobicContact CE1-CB 4.06Å; Y157-H181 AromaticContact CE1-CG 3.71Å; Y157-H181 AromaticContact CE1-ND1 3.88Å; Y157-H181 HydrophobicContact CE2-CB 4.3Å; Y157-H181 AromaticContact CE2-ND1 3.51Å; Y157-H181 HydrophobicContact CG-CB 3.89Å; Y157-H181 AromaticContact CZ-CE1 3.77Å; Y157-H181 AromaticContact CZ-CG 3.68Å; Y157-H181 AromaticContact CZ-ND1 3.34Å; Y157-H181 VanDerWaalsContact CZ-ND1 3.34Å; Y157-H181 PolarHBondContact N-O 3.34Å; Y157-H181 PolarHBondContact OH-CE1 3.48Å; Y157-H181 PolarHBondContact OH-ND1 2.85Å; N158-H181 PolarHBondContact N-O 2.03Å; N158-H181 VanDerWaalsContact O-O 3.09Å; H181-T204 PolarHBondContact N-O 2.96Å; H181-S205 WeakPolarHBondContact CA-O 3.33Å; H181-S205 WeakPolarHBondContact CD2-CB 3.39Å; H181-S205 PolarHBondContact CD2-OG 2.93Å; H181-S205 PolarHBondContact N-O 2.84Å; H181-S205 WeakPolarHBondContact NE2-CB 3.47Å; H181-S205 PolarHBondContact NE2-OG 3.39Å
182N98.6Very high95.5Very high7 Ų739.8 Ų39.84%0.03721%0.209CC..SBendtrans-137.1-169.4176.5-87.8-78.2000110.3L155 N158 L160 L179 D180 L184 S205 N206L155-N182 PolarHBondContact O-ND2 2.91Å; N158-N182 WeakPolarHBondContact CA-OD1 3.46Å; N158-N182 WeakPolarHBondContact CB-OD1 3.29Å; N158-N182 PolarHBondContact O-OD1 3.5Å; L160-N182 VanDerWaalsContact CB-OD1 3.3Å; L160-N182 WeakPolarHBondContact CB-OD1 3.41Å; L160-N182 WeakPolarHBondContact CG-OD1 3.24Å; L160-N182 PolarHBondContact N-OD1 2.99Å; L160-N182 VanDerWaalsContact N-OD1 3.11Å; L179-N182 WeakPolarHBondContact O-CB 3.27Å; L179-N182 PolarHBondContact O-ND2 2.64Å; L179-N182 VanDerWaalsContact O-ND2 3.08Å; D180-N182 PolarHBondContact O-ND2 3.32Å; N182-L184 HydrophobicContact CB-CG 4.33Å; N182-S205 PolarHBondContact N-O 2.83Å; N182-N206 WeakPolarHBondContact CA-OD1 3.4Å; N182-N206 WeakPolarHBondContact CB-OD1 3.38Å; N182-N206 PolarHBondContact O-OD1 3.26Å
183M97.5Very high95.3Very high77 Ų7738.5 Ų38.538%0.37920%0.203SC..  trans-116.722.6-175.9-65.9-66-65.100112.6L160 D161 D185 N206 K207L160-M183 CarbonylContact O-C 3.09Å; L160-M183 WeakPolarHBondContact O-CA 3.48Å; L160-M183 PolarHBondContact O-N 2.77Å; D161-M183 WeakPolarHBondContact OD1-CB 3.48Å; M183-D185 PolarHBondContact O-N 3.47Å; M183-N206 PolarHBondContact N-OD1 2.8Å; M183-K207 HydrophobicContact CE-CD 4.4Å; M183-K207 HydrophobicContact CE-CG 4.1Å; M183-K207 VanDerWaalsContact SD-CE 3.6Å; M183-K207 HydrophobicContact SD-CG 4.35Å
184L97.3Very high95Very high1 Ų141.7 Ų41.71%0.00522%0.218CC..  trans-66.9117-172.9-58.5172.5000111.4L160 I163 W165 L179 N182 N206 K207 L208L160-L184 HydrophobicContact CB-CD2 4.37Å; L160-L184 WeakPolarHBondContact O-CD2 3.43Å; L160-L184 PolarHBondContact O-N 3.49Å; I163-L184 HydrophobicContact CG2-CD2 4.25Å; W165-L184 HydrophobicContact CH2-CD1 4.29Å; W165-L184 HydrophobicContact CZ2-CD2 4.42Å; L179-L184 HydrophobicContact CB-CD1 3.97Å; L179-L184 HydrophobicContact CD1-CD1 3.92Å; L179-L184 HydrophobicContact CG-CD1 4.39Å; N182-L184 HydrophobicContact CB-CG 4.33Å; L184-N206 HydrophobicContact CB-CB 4.4Å; L184-N206 VanDerWaalsContact CB-OD1 3.29Å; L184-N206 WeakPolarHBondContact CB-OD1 3.4Å; L184-N206 VanDerWaalsContact CG-OD1 3.29Å; L184-N206 WeakPolarHBondContact CG-OD1 3.47Å; L184-N206 PolarHBondContact N-OD1 3.48Å; L184-K207 CarbonylContact O-C 3.47Å; L184-K207 VanDerWaalsContact O-CA 3.26Å; L184-K207 WeakPolarHBondContact O-CA 3.4Å; L184-K207 WeakPolarHBondContact O-CB 3.37Å; L184-K207 PolarHBondContact O-N 3.48Å; L184-L208 HydrophobicContact CB-CD2 4.2Å; L184-L208 VanDerWaalsContact O-CD2 3.31Å; L184-L208 WeakPolarHBondContact O-CD2 3.48Å; L184-L208 PolarHBondContact O-N 3.43Å; L184-L208 VanDerWaalsContact O-N 3.07Å
185D94.4Very high94.8Very high87 Ų8741.8 Ų41.847%0.46522%0.218SC..  trans-79-33.3179.1-72.9-39.1000113.3M183 K207M183-D185 PolarHBondContact O-N 3.47Å; D185-K207 WeakPolarHBondContact OD1-CB 3.35Å
186Y95.3Very high94.4Very high142 Ų14243.9 Ų43.956%0.55723%0.228SC*.  trans-152.3160.1-177.375.6-77.7000113.3W165 P188W165-Y186 WeakPolarHBondContact CZ2-O 3.37Å; Y186-P188 HydrophobicContact CD2-CG 4.48Å; Y186-P188 HydrophobicContact CE2-CG 4.05Å
187I95.9Very high94.2Very high12 Ų1246.5 Ų46.56%0.06224%0.237CC..  trans-120.7128.6169.5-52.7-177.2000108W165 F192 V203 L208 L211 P212W165-I187 HydrophobicContact CE3-CG2 4.33Å; W165-I187 HydrophobicContact CH2-CB 4.24Å; W165-I187 HydrophobicContact CH2-CD1 4.34Å; W165-I187 HydrophobicContact CH2-CG1 3.78Å; W165-I187 HydrophobicContact CH2-CG2 3.96Å; W165-I187 HydrophobicContact CZ2-CB 4.45Å; W165-I187 HydrophobicContact CZ2-CG1 4.17Å; W165-I187 HydrophobicContact CZ2-CG2 4.43Å; W165-I187 HydrophobicContact CZ3-CG2 3.9Å; I187-F192 HydrophobicContact CD1-CE2 4.42Å; I187-F192 HydrophobicContact CD1-CZ 4.19Å; I187-F192 HydrophobicContact CG2-CE2 3.76Å; I187-F192 HydrophobicContact CG2-CZ 3.71Å; I187-V203 HydrophobicContact CD1-CG1 4.11Å; I187-L208 HydrophobicContact CD1-CD1 3.94Å; I187-L208 HydrophobicContact CD1-CD2 4.38Å; I187-L208 HydrophobicContact CG1-CD1 4.27Å; I187-L208 HydrophobicContact CG1-CD2 3.79Å; I187-L211 HydrophobicContact CD1-CD2 3.9Å; I187-P212 HydrophobicContact CB-CG 4.2Å; I187-P212 HydrophobicContact CG2-CG 4.2Å
188P94.9Very high93.9Very high38 Ų3846.5 Ų46.525%0.24724%0.237CC..  trans-65.2143.5178.1-18.730000112.8W165 Y186 T191W165-P188 HydrophobicContact CB-CG 3.92Å; W165-P188 VanDerWaalsContact CD1-CG 3.46Å; W165-P188 HydrophobicContact CD2-CG 4.2Å; W165-P188 HydrophobicContact CG-CG 3.61Å; Y186-P188 HydrophobicContact CD2-CG 4.48Å; Y186-P188 HydrophobicContact CE2-CG 4.05Å; P188-T191 WeakPolarHBondContact O-CB 3.41Å; P188-T191 PolarHBondContact O-N 3.14Å; P188-T191 PolarHBondContact O-OG1 3.13Å
189E91.6Very high93.6Very high149 Ų14949.7 Ų49.770%0.69625%0.252SS*.THydrogen-bonded Turntrans-59.3146.4170.2-69.6178.8-169.900111.7T191 P212E189-T191 PolarHBondContact O-N 2.84Å; E189-P212 HydrophobicContact CB-CB 4.4Å; E189-P212 HydrophobicContact CG-CB 3.73Å
190G90.1Very high93.4Very high29 Ų2955.6 Ų55.630%0.29928%0.275SS..THydrogen-bonded Turntrans73.9-5.2-179.800000115.9Q169 F192 S193Q169-G190 PolarHBondContact NE2-O 2.82Å; Q169-G190 VanDerWaalsContact NE2-O 3.11Å; G190-F192 VanDerWaalsContact C-N 3.26Å; G190-F192 PolarHBondContact O-N 3.09Å; G190-S193 WeakPolarHBondContact O-CB 3.47Å; G190-S193 PolarHBondContact O-N 2.92Å; G190-S193 PolarHBondContact O-OG 2.72Å
191T92.8Very high93.3Very high4 Ų454.6 Ų54.63%0.02527%0.269CS..THydrogen-bonded Turntrans-50.8-43.3177.5-630000112.7W165 P188 E189W165-T191 HydrophobicContact CE3-CG2 3.76Å; W165-T191 HydrophobicContact CZ3-CG2 4.39Å; P188-T191 WeakPolarHBondContact O-CB 3.41Å; P188-T191 PolarHBondContact O-N 3.14Å; P188-T191 PolarHBondContact O-OG1 3.13Å; E189-T191 PolarHBondContact O-N 2.84Å
192F91.6Very high93.2Very high1 Ų152.8 Ų52.80%0.00426%0.262CS..THydrogen-bonded Turntrans-93.8-8.7-174.6-48.3-59.4000114L177 I187 G190 L194 L195 L198 L201 L216 F217L177-F192 HydrophobicContact CD2-CE1 4.1Å; I187-F192 HydrophobicContact CD1-CE2 4.42Å; I187-F192 HydrophobicContact CD1-CZ 4.19Å; I187-F192 HydrophobicContact CG2-CE2 3.76Å; I187-F192 HydrophobicContact CG2-CZ 3.71Å; G190-F192 VanDerWaalsContact C-N 3.26Å; G190-F192 PolarHBondContact O-N 3.09Å; F192-L194 PolarHBondContact O-N 2.79Å; F192-L195 HydrophobicContact CD1-CD1 4.13Å; F192-L195 WeakPolarHBondContact O-CB 3.35Å; F192-L195 PolarHBondContact O-N 2.89Å; F192-L198 HydrophobicContact CD1-CD2 4.25Å; F192-L201 HydrophobicContact CE1-CD1 4.35Å; F192-L201 HydrophobicContact CE1-CD2 4.17Å; F192-L201 HydrophobicContact CE2-CD2 3.83Å; F192-L201 HydrophobicContact CZ-CD1 4.29Å; F192-L201 HydrophobicContact CZ-CD2 3.61Å; F192-L216 HydrophobicContact CB-CD1 3.68Å; F192-L216 WeakPolarHBondContact O-CD1 3.49Å; F192-F217 HydrophobicContact CD2-CE2 4.2Å; F192-F217 AromaticContact CD2-CZ 3.68Å; F192-F217 HydrophobicContact CD2-CZ 3.68Å; F192-F217 HydrophobicContact CE2-CE2 4.45Å; F192-F217 AromaticContact CE2-CZ 3.78Å; F192-F217 HydrophobicContact CE2-CZ 3.78Å
193S88.8Confident93.2Very high48 Ų4852.5 Ų52.534%0.33626%0.26SS..THydrogen-bonded Turntrans-53.2-32.6-172.661.40000115.4G190 Q196 D214G190-S193 WeakPolarHBondContact O-CB 3.47Å; G190-S193 PolarHBondContact O-N 2.92Å; G190-S193 PolarHBondContact O-OG 2.72Å; S193-Q196 PolarHBondContact O-NE2 2.71Å; S193-D214 PolarHBondContact N-OD2 3Å
194L89.6Confident93.1Very high95 Ų9550.4 Ų50.450%0.49725%0.252SS..THydrogen-bonded Turntrans-91.4-11.8178.2-57.6-176.4000113.6Q169 T172 F192 Q196Q169-L194 HydrophobicContact CG-CD1 4.31Å; T172-L194 HydrophobicContact CG2-CB 4.43Å; F192-L194 PolarHBondContact O-N 2.79Å; L194-Q196 PolarHBondContact O-N 2.87Å
195L91.1Very high93.1Very high1 Ų152.1 Ų52.11%0.00526%0.264CS..  trans-86.754.9-171.6-51.7-167.8000111.5I168 M171 L174 F192 K197 L198I168-L195 HydrophobicContact CG2-CD1 4.29Å; M171-L195 WeakPolarHBondContact O-CD2 3.2Å; L174-L195 HydrophobicContact CD2-CD1 4.37Å; F192-L195 HydrophobicContact CD1-CD1 4.13Å; F192-L195 WeakPolarHBondContact O-CB 3.35Å; F192-L195 PolarHBondContact O-N 2.89Å; L195-K197 PolarHBondContact O-N 3.03Å; L195-L198 HydrophobicContact CB-CB 4.12Å; L195-L198 VanDerWaalsContact O-CB 3.25Å; L195-L198 WeakPolarHBondContact O-CB 3.46Å; L195-L198 PolarHBondContact O-N 2.77Å
196Q87.6Confident93.3Very high97 Ų9748 Ų4845%0.45324%0.242SC..THydrogen-bonded Turntrans-64.3-14.4-170.1-67.5-62.1-38.200115.1S193 L194 R219S193-Q196 PolarHBondContact O-NE2 2.71Å; L194-Q196 PolarHBondContact O-N 2.87Å; Q196-R219 PolarHBondContact O-NH1 3.34Å; Q196-R219 VanDerWaalsContact O-NH1 3.08Å
197K91.4Very high93.4Very high85 Ų8545.4 Ų45.437%0.3723%0.234SC..THydrogen-bonded Turntrans-93.6-4.7173.3-52.4-167-152.9166.90114.6T172 S173 L174 H175 L195 N199T172-K197 WeakPolarHBondContact O-CE 3.23Å; S173-K197 PolarHBondContact OG-NZ 2.82Å; L174-K197 CarbonylContact O-C 3.55Å; H175-K197 PolarHBondContact CD2-O 3.17Å; H175-K197 WeakPolarHBondContact NE2-CD 3.48Å; L195-K197 PolarHBondContact O-N 3.03Å; K197-N199 PolarHBondContact O-N 2.68Å; K197-N199 PolarHBondContact O-OD1 3.36Å
198L92.6Very high93.5Very high1 Ų144.9 Ų44.91%0.00523%0.231CC..  trans-64.4121.2-177.9-167.273.2000108.4L174 L177 F192 L195 L201 F234L174-L198 HydrophobicContact CD2-CD1 4.23Å; L174-L198 HydrophobicContact CG-CD1 4.18Å; L174-L198 WeakPolarHBondContact O-CA 3.16Å; L174-L198 PolarHBondContact O-N 2.02Å; L177-L198 HydrophobicContact CB-CD1 4.04Å; F192-L198 HydrophobicContact CD1-CD2 4.25Å; L195-L198 HydrophobicContact CB-CB 4.12Å; L195-L198 VanDerWaalsContact O-CB 3.25Å; L195-L198 WeakPolarHBondContact O-CB 3.46Å; L195-L198 PolarHBondContact O-N 2.77Å; L198-L201 HydrophobicContact CD2-CB 4.39Å; L198-F234 HydrophobicContact CB-CE2 4.16Å; L198-F234 HydrophobicContact CD2-CE2 3.98Å; L198-F234 HydrophobicContact CD2-CZ 4.09Å; L198-F234 HydrophobicContact CG-CE2 3.92Å; L198-F234 HydrophobicContact CG-CZ 4.39Å; L198-F234 WeakPolarHBondContact O-CD2 3.41Å; L198-F234 VanDerWaalsContact O-CE2 3.28Å; L198-F234 WeakPolarHBondContact O-CE2 3.32Å
199N91.6Very high93.5Very high83 Ų8348 Ų4844%0.44424%0.243SC..  trans-113.8-19.8-178.1-64.3-31.3000111.6H175 K197 F234 A235H175-N199 PolarHBondContact O-N 2.97Å; K197-N199 PolarHBondContact O-N 2.68Å; K197-N199 PolarHBondContact O-OD1 3.36Å; N199-F234 CarbonylContact O-C 3.58Å; N199-F234 WeakPolarHBondContact O-CA 3.32Å; N199-A235 PolarHBondContact O-N 3.35Å
200R93.6Very high93.7Very high125 Ų12544.9 Ų44.947%0.47223%0.227SC..EExtended strand (participates in β ladder)trans-138.2127.6176.7-170.5174.8-150.4139.79.1111.7H175 T176 L177 A235H175-R200 PolarHBondContact O-N 2.79Å; T176-R200 HydrophobicContact CG2-CB 4.33Å; L177-R200 PolarHBondContact N-O 3.01Å; R200-A235 WeakPolarHBondContact CA-O 3.33Å; R200-A235 HydrophobicContact CB-CB 4.47Å; R200-A235 HydrophobicContact CG-CB 4.18Å
201L95.7Very high93.9Very high0 Ų043.7 Ų43.70%021%0.213CC..EExtended strand (participates in β ladder)trans-127.4116.9166178.463.2000108.9L177 F192 L198 V203 F217 F234 A235 L236 S237L177-L201 HydrophobicContact CB-CD1 4.03Å; L177-L201 HydrophobicContact CD2-CD1 3.91Å; L177-L201 HydrophobicContact CG-CD1 3.91Å; L177-L201 WeakPolarHBondContact O-CA 3.34Å; F192-L201 HydrophobicContact CE1-CD1 4.35Å; F192-L201 HydrophobicContact CE1-CD2 4.17Å; F192-L201 HydrophobicContact CE2-CD2 3.83Å; F192-L201 HydrophobicContact CZ-CD1 4.29Å; F192-L201 HydrophobicContact CZ-CD2 3.61Å; L198-L201 HydrophobicContact CD2-CB 4.39Å; L201-V203 HydrophobicContact CD1-CG1 3.94Å; L201-V203 HydrophobicContact CD2-CG1 4.45Å; L201-V203 HydrophobicContact CG-CG1 4.05Å; L201-F217 HydrophobicContact CD2-CE1 3.81Å; L201-F217 HydrophobicContact CD2-CZ 3.9Å; L201-F234 HydrophobicContact CB-CE1 4.06Å; L201-F234 HydrophobicContact CB-CZ 3.7Å; L201-A235 PolarHBondContact N-O 3.41Å; L201-L236 HydrophobicContact CB-CD1 4.19Å; L201-L236 HydrophobicContact CD2-CD1 3.99Å; L201-L236 HydrophobicContact CG-CD1 4.2Å; L201-L236 WeakPolarHBondContact O-CA 3.28Å; L201-S237 PolarHBondContact O-N 3.1Å; L201-S237 VanDerWaalsContact O-N 3.13Å
202D96.3Very high94Very high27 Ų2744 Ų4414%0.14422%0.215CC..EExtended strand (participates in β ladder)trans-111.4121.5171.3-154.9-31.2000109.9L177 L179 T204L177-D202 PolarHBondContact O-N 3.41Å; L179-D202 WeakPolarHBondContact CA-O 3Å; L179-D202 WeakPolarHBondContact CB-O 3.33Å; L179-D202 PolarHBondContact N-O 2.76Å; D202-T204 WeakPolarHBondContact OD1-CB 3.23Å; D202-T204 PolarHBondContact OD1-N 3.49Å; D202-T204 PolarHBondContact OD1-OG1 2.86Å
203V96.7Very high94Very high0 Ų047.7 Ų47.70%024%0.24CC..  trans-128.519.9176.9-63.90000111.3L179 I187 L201 N206 L208 L211 S237 F238 N241L179-V203 HydrophobicContact CB-CG1 4.26Å; L179-V203 HydrophobicContact CD1-CG1 4.17Å; I187-V203 HydrophobicContact CD1-CG1 4.11Å; L201-V203 HydrophobicContact CD1-CG1 3.94Å; L201-V203 HydrophobicContact CD2-CG1 4.45Å; L201-V203 HydrophobicContact CG-CG1 4.05Å; V203-N206 PolarHBondContact O-ND2 2.89Å; V203-N206 VanDerWaalsContact O-ND2 3.11Å; V203-L208 HydrophobicContact CB-CD1 3.77Å; V203-L208 HydrophobicContact CG1-CD1 4.35Å; V203-L208 HydrophobicContact CG2-CD1 3.8Å; V203-L211 HydrophobicContact CG2-CD2 4.32Å; V203-S237 WeakPolarHBondContact CG2-O 3.47Å; V203-S237 PolarHBondContact N-O 3.02Å; V203-F238 HydrophobicContact CG2-CB 3.78Å; V203-N241 PolarHBondContact O-ND2 3.06Å
204T96.8Very high94Very high33 Ų3346 Ų4620%0.20223%0.226CC..  trans-56.3146.2179.9-550000111.6D180 H181 D202 N206 S237 G239D180-T204 CarbonylContact C-O 3.39Å; D180-T204 WeakPolarHBondContact CA-O 3.31Å; D180-T204 WeakPolarHBondContact CB-O 3.46Å; H181-T204 PolarHBondContact N-O 2.96Å; D202-T204 WeakPolarHBondContact OD1-CB 3.23Å; D202-T204 PolarHBondContact OD1-N 3.49Å; D202-T204 PolarHBondContact OD1-OG1 2.86Å; T204-N206 PolarHBondContact O-ND2 3.24Å; T204-S237 WeakPolarHBondContact OG1-CB 3.43Å; T204-G239 CarbonylContact C-O 3.55Å; T204-G239 VanDerWaalsContact CA-O 3.26Å; T204-G239 WeakPolarHBondContact CA-O 3.26Å; T204-G239 WeakPolarHBondContact CG2-O 3.23Å
205S97.2Very high93.8Very high38 Ų3845.5 Ų45.527%0.26623%0.229SC..SBendtrans55.154.3177.5-58.10000114H181 N182 G239H181-S205 WeakPolarHBondContact CA-O 3.33Å; H181-S205 WeakPolarHBondContact CD2-CB 3.39Å; H181-S205 PolarHBondContact CD2-OG 2.93Å; H181-S205 PolarHBondContact N-O 2.84Å; H181-S205 WeakPolarHBondContact NE2-CB 3.47Å; H181-S205 PolarHBondContact NE2-OG 3.39Å; N182-S205 PolarHBondContact N-O 2.83Å; S205-G239 PolarHBondContact N-O 3.21Å
206N98.3Very high93.5Very high1 Ų145.5 Ų45.51%0.00523%0.229CC..SBendtrans-118.2-161.4174.2-88.6-86.2000111.4L179 N182 M183 L184 V203 T204 L208 N241 P242L179-N206 PolarHBondContact O-ND2 3.46Å; N182-N206 WeakPolarHBondContact CA-OD1 3.4Å; N182-N206 WeakPolarHBondContact CB-OD1 3.38Å; N182-N206 PolarHBondContact O-OD1 3.26Å; M183-N206 PolarHBondContact N-OD1 2.8Å; L184-N206 HydrophobicContact CB-CB 4.4Å; L184-N206 VanDerWaalsContact CB-OD1 3.29Å; L184-N206 WeakPolarHBondContact CB-OD1 3.4Å; L184-N206 VanDerWaalsContact CG-OD1 3.29Å; L184-N206 WeakPolarHBondContact CG-OD1 3.47Å; L184-N206 PolarHBondContact N-OD1 3.48Å; V203-N206 PolarHBondContact O-ND2 2.89Å; V203-N206 VanDerWaalsContact O-ND2 3.11Å; T204-N206 PolarHBondContact O-ND2 3.24Å; N206-L208 HydrophobicContact CB-CD1 4.46Å; N206-L208 HydrophobicContact CB-CG 4.11Å; N206-N241 VanDerWaalsContact CA-OD1 3.23Å; N206-N241 WeakPolarHBondContact CA-OD1 3.34Å; N206-N241 WeakPolarHBondContact CB-OD1 3.22Å; N206-N241 PolarHBondContact N-OD1 2.83Å; N206-N241 PolarHBondContact O-OD1 3.37Å; N206-P242 WeakPolarHBondContact O-CD 3.43Å
207K97.6Very high93.4Very high86 Ų8641 Ų4137%0.37421%0.208SC..  trans-110.516.7175.1-59.2-59.1172.1-153.60113.4M183 L184 D185 Q209 N241M183-K207 HydrophobicContact CE-CD 4.4Å; M183-K207 HydrophobicContact CE-CG 4.1Å; M183-K207 VanDerWaalsContact SD-CE 3.6Å; M183-K207 HydrophobicContact SD-CG 4.35Å; L184-K207 CarbonylContact O-C 3.47Å; L184-K207 VanDerWaalsContact O-CA 3.26Å; L184-K207 WeakPolarHBondContact O-CA 3.4Å; L184-K207 WeakPolarHBondContact O-CB 3.37Å; L184-K207 PolarHBondContact O-N 3.48Å; D185-K207 WeakPolarHBondContact OD1-CB 3.35Å; K207-Q209 PolarHBondContact O-N 3.48Å; K207-Q209 VanDerWaalsContact O-N 3.13Å; K207-N241 PolarHBondContact N-OD1 2.95Å
208L97.2Very high92.8Very high1 Ų143.1 Ų43.11%0.00522%0.219CC..  trans-65.1114.3-175.6-58.1175.3000110.8L184 I187 V203 N206 L211 N241L184-L208 HydrophobicContact CB-CD2 4.2Å; L184-L208 VanDerWaalsContact O-CD2 3.31Å; L184-L208 WeakPolarHBondContact O-CD2 3.48Å; L184-L208 PolarHBondContact O-N 3.43Å; L184-L208 VanDerWaalsContact O-N 3.07Å; I187-L208 HydrophobicContact CD1-CD1 3.94Å; I187-L208 HydrophobicContact CD1-CD2 4.38Å; I187-L208 HydrophobicContact CG1-CD1 4.27Å; I187-L208 HydrophobicContact CG1-CD2 3.79Å; V203-L208 HydrophobicContact CB-CD1 3.77Å; V203-L208 HydrophobicContact CG1-CD1 4.35Å; V203-L208 HydrophobicContact CG2-CD1 3.8Å; N206-L208 HydrophobicContact CB-CD1 4.46Å; N206-L208 HydrophobicContact CB-CG 4.11Å; L208-L211 HydrophobicContact CD1-CD2 3.88Å; L208-N241 HydrophobicContact CB-CB 4.4Å; L208-N241 WeakPolarHBondContact CB-OD1 3.35Å; L208-N241 PolarHBondContact N-OD1 2.9Å
209Q96.4Very high92.2Very high105 Ų10547.3 Ų47.349%0.49124%0.235SC..SBendtrans-76.6-32.9171-67.8176.446.300111.2K207 H244K207-Q209 PolarHBondContact O-N 3.48Å; K207-Q209 VanDerWaalsContact O-N 3.13Å; Q209-H244 HydrophobicContact CB-CB 3.96Å; Q209-H244 PolarHBondContact O-N 3.07Å
210K95.1Very high91.4Very high83 Ų8343.5 Ų43.536%0.36122%0.215SC..  trans-147162.5176.964.8-175.4174.1-173.40112.7E248 L249K210-E248 HydrophobicContact CD-CB 4.28Å; K210-E248 WeakPolarHBondContact CD-OE2 3.17Å; K210-E248 IonicContact NZ-OE1 3.11Å; K210-E248 PolarHBondContact NZ-OE1 3.1Å; K210-E248 IonicContact NZ-OE2 3.58Å; K210-E248 PolarHBondContact NZ-OE2 3.49Å; K210-L249 HydrophobicContact CB-CD2 4.03Å; K210-L249 HydrophobicContact CB-CG 4.38Å
211L94.6Very high90.3Very high3 Ų340 Ų402%0.01620%0.204CC..  trans-110.6136.2170.7-71.1175.1000110I187 V203 L208 L236 F238 W251 L252I187-L211 HydrophobicContact CD1-CD2 3.9Å; V203-L211 HydrophobicContact CG2-CD2 4.32Å; L208-L211 HydrophobicContact CD1-CD2 3.88Å; L211-L236 HydrophobicContact CD1-CD2 4.5Å; L211-F238 HydrophobicContact CD1-CB 3.95Å; L211-F238 HydrophobicContact CD1-CD1 4.39Å; L211-F238 HydrophobicContact CD1-CD2 4.26Å; L211-F238 HydrophobicContact CD1-CG 3.95Å; L211-W251 HydrophobicContact CB-CZ2 4.05Å; L211-W251 PolarHBondContact O-NE1 3.1Å; L211-L252 HydrophobicContact CD1-CD2 4.02Å
212P93.6Very high88.8Confident10 Ų1042.4 Ų42.47%0.06522%0.218CC..  trans-68.8141.9175.829.2-34.7000110.6I187 E189 D214 F217 W251I187-P212 HydrophobicContact CB-CG 4.2Å; I187-P212 HydrophobicContact CG2-CG 4.2Å; E189-P212 HydrophobicContact CB-CB 4.4Å; E189-P212 HydrophobicContact CG-CB 3.73Å; P212-D214 PolarHBondContact O-N 3.13Å; P212-F217 WeakPolarHBondContact O-CE2 3.42Å; P212-W251 WeakPolarHBondContact O-CZ2 3.09Å
213P91.6Very high87.1Confident80 Ų8045 Ų4552%0.51923%0.232SC..  trans-69.1124.9174.327.8-33.1000110.9W251P213-W251 HydrophobicContact CB-CD2 4.05Å; P213-W251 HydrophobicContact CB-CG 4.11Å
214D90.2Very high84.9Confident11 Ų1148.3 Ų48.36%0.05926%0.26CS..  trans-136.2140.3176.4-168.3-72.2000110.8S193 P212 L216 F217S193-D214 PolarHBondContact N-OD2 3Å; P212-D214 PolarHBondContact O-N 3.13Å; D214-L216 PolarHBondContact O-N 2.96Å; D214-L216 VanDerWaalsContact O-N 3.11Å; D214-L216 WeakPolarHBondContact OD1-CB 3.4Å; D214-L216 WeakPolarHBondContact OD1-CG 3.42Å; D214-L216 PolarHBondContact OD1-N 3.4Å; D214-F217 HydrophobicContact CB-CD2 3.75Å; D214-F217 HydrophobicContact CB-CE2 3.71Å; D214-F217 PolarHBondContact O-N 2.91Å
215P84.4Confident82.7Confident86 Ų8651.2 Ų51.256%0.55828%0.277SS*.G310 helixtrans-54.1-25175.2-28.136.3000115.4F217 Q218P215-F217 VanDerWaalsContact C-N 3.3Å; P215-F217 PolarHBondContact O-N 2.84Å; P215-Q218 WeakPolarHBondContact O-CB 3.23Å; P215-Q218 PolarHBondContact O-N 3.37Å
216L85.6Confident80.3Confident1 Ų155.5 Ų55.51%0.00531%0.307CS..G310 helixtrans-61.2-37.3174-74166.2000112.2F192 D214 Q218 R219 F234F192-L216 HydrophobicContact CB-CD1 3.68Å; F192-L216 WeakPolarHBondContact O-CD1 3.49Å; D214-L216 PolarHBondContact O-N 2.96Å; D214-L216 VanDerWaalsContact O-N 3.11Å; D214-L216 WeakPolarHBondContact OD1-CB 3.4Å; D214-L216 WeakPolarHBondContact OD1-CG 3.42Å; D214-L216 PolarHBondContact OD1-N 3.4Å; L216-Q218 PolarHBondContact O-N 3.27Å; L216-R219 WeakPolarHBondContact O-CB 3.47Å; L216-R219 PolarHBondContact O-N 2.87Å; L216-F234 HydrophobicContact CB-CE2 4.4Å
217F85.6Confident78.2Confident1 Ų159.3 Ų59.30%0.00435%0.347CS..G310 helixtrans-70.6-18.4-179.5-54.6-44.5000112.9F192 L201 P212 D214 P215 R219 A220 F234 L236 W251 L255F192-F217 HydrophobicContact CD2-CE2 4.2Å; F192-F217 AromaticContact CD2-CZ 3.68Å; F192-F217 HydrophobicContact CD2-CZ 3.68Å; F192-F217 HydrophobicContact CE2-CE2 4.45Å; F192-F217 AromaticContact CE2-CZ 3.78Å; F192-F217 HydrophobicContact CE2-CZ 3.78Å; L201-F217 HydrophobicContact CD2-CE1 3.81Å; L201-F217 HydrophobicContact CD2-CZ 3.9Å; P212-F217 WeakPolarHBondContact O-CE2 3.42Å; D214-F217 HydrophobicContact CB-CD2 3.75Å; D214-F217 HydrophobicContact CB-CE2 3.71Å; D214-F217 PolarHBondContact O-N 2.91Å; P215-F217 VanDerWaalsContact C-N 3.3Å; P215-F217 PolarHBondContact O-N 2.84Å; F217-R219 PolarHBondContact O-N 2.87Å; F217-A220 VanDerWaalsContact O-CB 3.29Å; F217-A220 WeakPolarHBondContact O-CB 3.44Å; F217-A220 PolarHBondContact O-N 3.34Å; F217-F234 AromaticContact CD1-CE1 3.93Å; F217-F234 HydrophobicContact CD1-CE1 3.93Å; F217-F234 HydrophobicContact CD1-CZ 4.28Å; F217-F234 HydrophobicContact CE1-CE1 4Å; F217-F234 HydrophobicContact CE1-CZ 4.05Å; F217-L236 HydrophobicContact CD1-CD1 4.24Å; F217-L236 HydrophobicContact CD1-CD2 3.99Å; F217-L236 HydrophobicContact CE1-CD1 3.89Å; F217-L236 HydrophobicContact CE1-CD2 4.39Å; F217-L236 HydrophobicContact CG-CD2 4.48Å; F217-W251 HydrophobicContact CB-CH2 3.93Å; F217-W251 HydrophobicContact CB-CZ3 3.64Å; F217-W251 AromaticContact CD2-CH2 3.42Å; F217-W251 HydrophobicContact CD2-CH2 3.42Å; F217-W251 VanDerWaalsContact CD2-CH2 3.42Å; F217-W251 HydrophobicContact CD2-CZ2 4.29Å; F217-W251 AromaticContact CD2-CZ3 3.97Å; F217-W251 HydrophobicContact CD2-CZ3 3.97Å; F217-W251 HydrophobicContact CE2-CH2 4.24Å; F217-W251 AromaticContact CG-CH2 3.94Å; F217-W251 HydrophobicContact CG-CH2 3.94Å; F217-W251 HydrophobicContact CG-CZ3 4.18Å; F217-L255 WeakPolarHBondContact O-CD1 3.17Å
218Q78.8Confident76Confident130 Ų13062.7 Ų62.761%0.60736%0.364SS*.G310 helixtrans-67-15.3168.5-56.1-176.83.900112.9P215 L216 Q221P215-Q218 WeakPolarHBondContact O-CB 3.23Å; P215-Q218 PolarHBondContact O-N 3.37Å; L216-Q218 PolarHBondContact O-N 3.27Å; Q218-Q221 WeakPolarHBondContact O-CG 3.38Å; Q218-Q221 PolarHBondContact O-NE2 3.06Å
219R79.2Confident73.9Confident90 Ų9070.2 Ų70.234%0.3440%0.401SS..G310 helixtrans-86.7-9.5172-53.6-177.7-172.3164.36.6113.4Q196 L216 F217 Q221 F234Q196-R219 PolarHBondContact O-NH1 3.34Å; Q196-R219 VanDerWaalsContact O-NH1 3.08Å; L216-R219 WeakPolarHBondContact O-CB 3.47Å; L216-R219 PolarHBondContact O-N 2.87Å; F217-R219 PolarHBondContact O-N 2.87Å; R219-Q221 VanDerWaalsContact C-N 3.34Å; R219-F234 HydrophobicContact CB-CB 3.88Å; R219-F234 PolarHBondContact O-N 3.02Å
220A74.4Confident72.1Confident2 Ų268.3 Ų68.32%0.01740%0.397CS..SBendtrans-881.2-176.800000114F217 F234 L236F217-A220 VanDerWaalsContact O-CB 3.29Å; F217-A220 WeakPolarHBondContact O-CB 3.44Å; F217-A220 PolarHBondContact O-N 3.34Å; A220-F234 WeakPolarHBondContact CA-O 3.44Å; A220-F234 HydrophobicContact CB-CB 4.25Å; A220-F234 HydrophobicContact CB-CD1 3.8Å; A220-F234 HydrophobicContact CB-CG 4.44Å; A220-L236 HydrophobicContact CB-CB 4.18Å
221Q71.3Confident70.6Confident51 Ų5169.9 Ų69.924%0.23842%0.415CS..SBendtrans-93.2148.5175.170.5-172.3-47.100111.2Q218 R219 L223 L255 K256Q218-Q221 WeakPolarHBondContact O-CG 3.38Å; Q218-Q221 PolarHBondContact O-NE2 3.06Å; R219-Q221 VanDerWaalsContact C-N 3.34Å; Q221-L223 HydrophobicContact CG-CD2 3.97Å; Q221-L223 HydrophobicContact CG-CG 4.04Å; Q221-L255 HydrophobicContact CB-CB 4.46Å; Q221-K256 VanDerWaalsContact CA-O 3.3Å; Q221-K256 WeakPolarHBondContact CA-O 3.4Å
222V64.8Low69.2Low51 Ų5172.7 Ų72.731%0.30944%0.436SS..  trans-88.3111173-179.40000109.8K256V222-K256 PolarHBondContact N-O 3.26Å
223L58.9Low68.4Low81 Ų8176 Ų7642%0.42446%0.459SS..  trans-92.6102177.5-67.1-178.3000111Q221 T230Q221-L223 HydrophobicContact CG-CD2 3.97Å; Q221-L223 HydrophobicContact CG-CG 4.04Å; L223-T230 PolarHBondContact O-N 3.11Å; L223-T230 PolarHBondContact O-OG1 2.8Å
224A51.9Low68Low71 Ų7172.3 Ų72.359%0.58744%0.435SS*.EExtended strand (participates in β ladder)trans-95.684.2168.100000110.3M229A224-M229 HydrophobicContact CB-CG 4.31Å
225T49.1Very low67.9Low94 Ų9473.6 Ų73.658%0.57745%0.447SS*.EExtended strand (participates in β ladder)trans-99121.3170.945.80000110.2G227T225-G227 PolarHBondContact O-N 2.7Å
226S48.8Very low68.3Low127 Ų12769.6 Ų69.689%0.88842%0.421SS*.THydrogen-bonded Turntrans51.247.5169.553.30000116.5
227G52.5Low68.7Low82 Ų8271 Ų7185%0.84543%0.43SS*.THydrogen-bonded Turntrans94.8-14.9164.100000116.3T225T225-G227 PolarHBondContact O-N 2.7Å
228E52.5Low69.2Low156 Ų15671 Ų7173%0.72943%0.43SS*.EExtended strand (participates in β ladder)trans-99.6122.9169.3-66.6-173.715500109.7T230E228-T230 PolarHBondContact O-N 2.64Å
229M53.7Low69.9Low159 Ų15965 Ų6578%0.78340%0.404SS*.EExtended strand (participates in β ladder)trans-87.598.9174.7-69.8166.572.300108A224A224-M229 HydrophobicContact CB-CG 4.31Å
230T57.3Low70.7Confident66 Ų6663.5 Ų63.541%0.40542%0.416SS..PPolyproline II helixtrans-71.4128.5176.5610000109.8L223 E228L223-T230 PolarHBondContact O-N 3.11Å; L223-T230 PolarHBondContact O-OG1 2.8Å; E228-T230 PolarHBondContact O-N 2.64Å
231P63.3Low71.8Confident115 Ų11563.8 Ų63.875%0.74742%0.418SS*.PPolyproline II helixtrans-67.4145.2178.128-34.1000110.3S233P231-S233 PolarHBondContact O-N 2.97Å
232S66.5Low73Confident63 Ų6363.4 Ų63.444%0.44142%0.419SS..PPolyproline II helixtrans-60.7119.817641.20000110.2F234S232-F234 PolarHBondContact O-N 3.06Å
233S75.5Confident74.6Confident79 Ų7961 Ų6155%0.55241%0.405SS*.SBendtrans-78.4-5.9178.858.20000113.3P231P231-S233 PolarHBondContact O-N 2.97Å
234F84.4Confident76.4Confident3 Ų358.6 Ų58.61%0.01339%0.391CS..SBendtrans-135129.1176.6-169.3-85.5000110.9L198 N199 L201 L216 F217 R219 A220 S232 L236L198-F234 HydrophobicContact CB-CE2 4.16Å; L198-F234 HydrophobicContact CD2-CE2 3.98Å; L198-F234 HydrophobicContact CD2-CZ 4.09Å; L198-F234 HydrophobicContact CG-CE2 3.92Å; L198-F234 HydrophobicContact CG-CZ 4.39Å; L198-F234 WeakPolarHBondContact O-CD2 3.41Å; L198-F234 VanDerWaalsContact O-CE2 3.28Å; L198-F234 WeakPolarHBondContact O-CE2 3.32Å; N199-F234 CarbonylContact O-C 3.58Å; N199-F234 WeakPolarHBondContact O-CA 3.32Å; L201-F234 HydrophobicContact CB-CE1 4.06Å; L201-F234 HydrophobicContact CB-CZ 3.7Å; L216-F234 HydrophobicContact CB-CE2 4.4Å; F217-F234 AromaticContact CD1-CE1 3.93Å; F217-F234 HydrophobicContact CD1-CE1 3.93Å; F217-F234 HydrophobicContact CD1-CZ 4.28Å; F217-F234 HydrophobicContact CE1-CE1 4Å; F217-F234 HydrophobicContact CE1-CZ 4.05Å; R219-F234 HydrophobicContact CB-CB 3.88Å; R219-F234 PolarHBondContact O-N 3.02Å; A220-F234 WeakPolarHBondContact CA-O 3.44Å; A220-F234 HydrophobicContact CB-CB 4.25Å; A220-F234 HydrophobicContact CB-CD1 3.8Å; A220-F234 HydrophobicContact CB-CG 4.44Å; S232-F234 PolarHBondContact O-N 3.06Å; F234-L236 HydrophobicContact CD1-CB 4.05Å; F234-L236 HydrophobicContact CE1-CB 3.86Å; F234-L236 HydrophobicContact CE1-CD1 4.28Å
235A88.6Confident78.6Confident38 Ų3855.2 Ų55.231%0.31436%0.363SS..EExtended strand (participates in β ladder)trans-96.6110170.700000110N199 R200 L201N199-A235 PolarHBondContact O-N 3.35Å; R200-A235 WeakPolarHBondContact CA-O 3.33Å; R200-A235 HydrophobicContact CB-CB 4.47Å; R200-A235 HydrophobicContact CG-CB 4.18Å; L201-A235 PolarHBondContact N-O 3.41Å
236L92.2Very high80.9Confident2 Ų250.8 Ų50.81%0.0134%0.336CS..EExtended strand (participates in β ladder)trans-104.9136.9167.8-17763.3000109L201 L211 F217 A220 F234 F238 L252 R257L201-L236 HydrophobicContact CB-CD1 4.19Å; L201-L236 HydrophobicContact CD2-CD1 3.99Å; L201-L236 HydrophobicContact CG-CD1 4.2Å; L201-L236 WeakPolarHBondContact O-CA 3.28Å; L211-L236 HydrophobicContact CD1-CD2 4.5Å; F217-L236 HydrophobicContact CD1-CD1 4.24Å; F217-L236 HydrophobicContact CD1-CD2 3.99Å; F217-L236 HydrophobicContact CE1-CD1 3.89Å; F217-L236 HydrophobicContact CE1-CD2 4.39Å; F217-L236 HydrophobicContact CG-CD2 4.48Å; A220-L236 HydrophobicContact CB-CB 4.18Å; F234-L236 HydrophobicContact CD1-CB 4.05Å; F234-L236 HydrophobicContact CE1-CB 3.86Å; F234-L236 HydrophobicContact CE1-CD1 4.28Å; L236-F238 HydrophobicContact CD2-CD1 4.08Å; L236-F238 HydrophobicContact CD2-CE1 4.44Å; L236-F238 HydrophobicContact CG-CD1 4.1Å; L236-L252 HydrophobicContact CD2-CD1 4.28Å; L236-R257 VanDerWaalsContact O-CZ 3.3Å; L236-R257 PolarHBondContact O-NH1 3.4Å; L236-R257 VanDerWaalsContact O-NH1 3.09Å; L236-R257 PolarHBondContact O-NH2 3.34Å
237S93.5Very high83.2Confident29 Ų2946.4 Ų46.420%0.20331%0.305CS..EExtended strand (participates in β ladder)trans-136.9126.4170-64.30000109.7L201 V203 T204L201-S237 PolarHBondContact O-N 3.1Å; L201-S237 VanDerWaalsContact O-N 3.13Å; V203-S237 WeakPolarHBondContact CG2-O 3.47Å; V203-S237 PolarHBondContact N-O 3.02Å; T204-S237 WeakPolarHBondContact OG1-CB 3.43Å
238F95.2Very high85.2Confident1 Ų144.3 Ų44.30%0.00427%0.273CS..  trans-142.214.2-173.168.8-83.4000114.5V203 L211 L236 N241 L243 L252 E262 F275 W276V203-F238 HydrophobicContact CG2-CB 3.78Å; L211-F238 HydrophobicContact CD1-CB 3.95Å; L211-F238 HydrophobicContact CD1-CD1 4.39Å; L211-F238 HydrophobicContact CD1-CD2 4.26Å; L211-F238 HydrophobicContact CD1-CG 3.95Å; L236-F238 HydrophobicContact CD2-CD1 4.08Å; L236-F238 HydrophobicContact CD2-CE1 4.44Å; L236-F238 HydrophobicContact CG-CD1 4.1Å; F238-N241 PolarHBondContact O-ND2 3.01Å; F238-L243 HydrophobicContact CD2-CD1 4.07Å; F238-L243 HydrophobicContact CD2-CD2 4.33Å; F238-L243 HydrophobicContact CE2-CD1 3.83Å; F238-L252 HydrophobicContact CD2-CD2 4.3Å; F238-L252 HydrophobicContact CE1-CD1 4.15Å; F238-L252 HydrophobicContact CE1-CD2 4.22Å; F238-L252 HydrophobicContact CE1-CG 4.49Å; F238-L252 HydrophobicContact CE2-CD2 3.7Å; F238-L252 HydrophobicContact CZ-CD1 4.22Å; F238-L252 HydrophobicContact CZ-CD2 3.66Å; F238-L252 HydrophobicContact CZ-CG 4.07Å; F238-E262 HydrophobicContact CD2-CB 4.42Å; F238-E262 HydrophobicContact CD2-CG 4Å; F238-E262 HydrophobicContact CE1-CG 4.28Å; F238-E262 WeakPolarHBondContact CE1-OE1 3.37Å; F238-E262 HydrophobicContact CE2-CB 3.92Å; F238-E262 HydrophobicContact CE2-CG 3.69Å; F238-E262 HydrophobicContact CG-CG 4.41Å; F238-E262 HydrophobicContact CZ-CB 4.36Å; F238-E262 HydrophobicContact CZ-CG 3.84Å; F238-E262 WeakPolarHBondContact CZ-OE1 3.47Å; F238-F275 HydrophobicContact CZ-CD1 4.35Å; F238-F275 HydrophobicContact CZ-CE1 4.33Å; F238-W276 HydrophobicContact CE1-CZ2 4.14Å; F238-W276 AromaticContact CZ-CZ2 3.84Å; F238-W276 HydrophobicContact CZ-CZ2 3.84Å
239G94.3Very high87.3Confident6 Ų636.9 Ų36.96%0.06224%0.239CC..THydrogen-bonded Turntrans-60.8167.1176.400000113.6T204 S205 N241T204-G239 CarbonylContact C-O 3.55Å; T204-G239 VanDerWaalsContact CA-O 3.26Å; T204-G239 WeakPolarHBondContact CA-O 3.26Å; T204-G239 WeakPolarHBondContact CG2-O 3.23Å; S205-G239 PolarHBondContact N-O 3.21Å; G239-N241 PolarHBondContact O-N 3.37Å; G239-N241 VanDerWaalsContact O-N 3.11Å; G239-N241 PolarHBondContact O-ND2 3.41Å
240G95.3Very high89.3Confident57 Ų5730.8 Ų30.859%0.58821%0.209SC*.THydrogen-bonded Turntrans66.39179.400000116
241N97.7Very high91.1Very high9 Ų930.4 Ų30.45%0.04820%0.2CC..SBendtrans-90.4149.4174.3-81.2-76.9000111.9V203 N206 K207 L208 F238 G239 L243V203-N241 PolarHBondContact O-ND2 3.06Å; N206-N241 VanDerWaalsContact CA-OD1 3.23Å; N206-N241 WeakPolarHBondContact CA-OD1 3.34Å; N206-N241 WeakPolarHBondContact CB-OD1 3.22Å; N206-N241 PolarHBondContact N-OD1 2.83Å; N206-N241 PolarHBondContact O-OD1 3.37Å; K207-N241 PolarHBondContact N-OD1 2.95Å; L208-N241 HydrophobicContact CB-CB 4.4Å; L208-N241 WeakPolarHBondContact CB-OD1 3.35Å; L208-N241 PolarHBondContact N-OD1 2.9Å; F238-N241 PolarHBondContact O-ND2 3.01Å; G239-N241 PolarHBondContact O-N 3.37Å; G239-N241 VanDerWaalsContact O-N 3.11Å; G239-N241 PolarHBondContact O-ND2 3.41Å; N241-L243 HydrophobicContact CB-CD2 3.97Å; N241-L243 HydrophobicContact CB-CG 4.26Å; N241-L243 PolarHBondContact O-N 2.9Å
242P97.4Very high92.5Very high42 Ų4225 Ų2527%0.27317%0.165SC..  trans-80.465.1177.935.8-37.1000111.3N206 H244 A265N206-P242 WeakPolarHBondContact O-CD 3.43Å; P242-H244 PolarHBondContact O-N 2.85Å; P242-A265 HydrophobicContact CB-CB 3.91Å
243L97.7Very high93.8Very high2 Ų224.4 Ų24.41%0.0115%0.153CC..EExtended strand (participates in β ladder)trans-60.8136.8-170.2-61.2174.6000112.7F238 N241 L249 E262 A265 T266 F275F238-L243 HydrophobicContact CD2-CD1 4.07Å; F238-L243 HydrophobicContact CD2-CD2 4.33Å; F238-L243 HydrophobicContact CE2-CD1 3.83Å; N241-L243 HydrophobicContact CB-CD2 3.97Å; N241-L243 HydrophobicContact CB-CG 4.26Å; N241-L243 PolarHBondContact O-N 2.9Å; L243-L249 HydrophobicContact CB-CD1 4.16Å; L243-L249 HydrophobicContact CD2-CD1 4.26Å; L243-E262 HydrophobicContact CD1-CB 4.19Å; L243-A265 PolarHBondContact O-N 3.33Å; L243-T266 PolarHBondContact O-N 3.19Å; L243-F275 HydrophobicContact CD1-CD2 4.01Å; L243-F275 HydrophobicContact CD1-CG 4.45Å
244H97.7Very high94.6Very high30 Ų3027.4 Ų27.414%0.13915%0.152CC..EExtended strand (participates in β ladder)trans-100.296.2173.4-17952.9000108.2Q209 P242 N246 L249 T266 D314Q209-H244 HydrophobicContact CB-CB 3.96Å; Q209-H244 PolarHBondContact O-N 3.07Å; P242-H244 PolarHBondContact O-N 2.85Å; H244-N246 PolarHBondContact CD2-ND2 3.19Å; H244-N246 VanDerWaalsContact CD2-ND2 3.29Å; H244-N246 PolarHBondContact NE2-ND2 3.23Å; H244-N246 VanDerWaalsContact NE2-ND2 3.16Å; H244-N246 PolarHBondContact O-N 2.7Å; H244-L249 WeakPolarHBondContact O-CD1 3.21Å; H244-T266 WeakPolarHBondContact CA-OG1 3.1Å; H244-T266 PolarHBondContact ND1-OG1 2.85Å; H244-D314 IonicContact CE1-OD1 3.54Å; H244-D314 PolarHBondContact CE1-OD1 2.96Å; H244-D314 IonicContact CE1-OD2 3.99Å; H244-D314 PolarHBondContact CE1-OD2 3.02Å; H244-D314 IonicContact NE2-OD1 2.7Å; H244-D314 PolarHBondContact NE2-OD1 2.92Å; H244-D314 VanDerWaalsContact NE2-OD1 3.1Å; H244-D314 IonicContact NE2-OD2 3.52Å
245C97.9Very high94.9Very high0 Ų028.1 Ų28.10%016%0.156CC..  trans-86.556.8-165.3-67.90000112.8C264 T266 L270 F283C245-C264 HydrophobicContact CB-CB 3.78Å; C245-C264 WeakPolarHBondContact CB-SG 3.44Å; C245-C264 VanDerWaalsContact SG-CA 3.59Å; C245-C264 WeakPolarHBondContact SG-CB 3.3Å; C245-C264 CovalentContact SG-SG 2.02Å; C245-C264 PolarHBondContact SG-SG 2.9Å; C245-T266 PolarHBondContact N-O 3.26Å; C245-L270 HydrophobicContact CB-CD1 3.87Å; C245-L270 WeakPolarHBondContact O-CD1 3.46Å; C245-F283 HydrophobicContact CB-CD1 4.06Å; C245-F283 HydrophobicContact CB-CE1 3.61Å; C245-F283 HydrophobicContact CB-CZ 4.41Å; C245-F283 WeakPolarHBondContact O-CD1 3.43Å
246N97Very high94.6Very high1 Ų133.7 Ų33.71%0.00517%0.173CC..SBendtrans-94.1-173.8172.173.45.3000111.3H244 E248 L249 F283 L284 D314H244-N246 PolarHBondContact CD2-ND2 3.19Å; H244-N246 VanDerWaalsContact CD2-ND2 3.29Å; H244-N246 PolarHBondContact NE2-ND2 3.23Å; H244-N246 VanDerWaalsContact NE2-ND2 3.16Å; H244-N246 PolarHBondContact O-N 2.7Å; N246-E248 PolarHBondContact O-N 3.12Å; N246-E248 WeakPolarHBondContact OD1-CB 3.21Å; N246-E248 WeakPolarHBondContact OD1-CG 3.48Å; N246-E248 PolarHBondContact OD1-N 3.03Å; N246-L249 PolarHBondContact O-N 2.96Å; N246-L249 VanDerWaalsContact O-N 3.1Å; N246-F283 WeakPolarHBondContact O-CD1 3.35Å; N246-L284 CarbonylContact C-O 3.46Å; N246-L284 WeakPolarHBondContact CA-O 3.12Å; N246-L284 VanDerWaalsContact CB-O 3.23Å; N246-L284 WeakPolarHBondContact CB-O 3.39Å; N246-D314 WeakPolarHBondContact CB-OD1 3.46Å; N246-D314 PolarHBondContact ND2-OD1 3.04Å
247C96.5Very high94.2Very high35 Ų3536.2 Ų36.224%0.23618%0.183CC..G310 helixtrans-59.4-17.4179.277.10000114.9L249 L250 F283 L284 C285C247-L249 PolarHBondContact O-N 2.86Å; C247-L250 VanDerWaalsContact O-CB 3.23Å; C247-L250 WeakPolarHBondContact O-CB 3.46Å; C247-L250 PolarHBondContact O-N 2.75Å; C247-F283 VanDerWaalsContact CA-O 3.27Å; C247-F283 WeakPolarHBondContact CA-O 3.27Å; C247-F283 WeakPolarHBondContact CB-O 3.45Å; C247-F283 PolarHBondContact N-O 2.9Å; C247-L284 PolarHBondContact N-O 2.95Å; C247-C285 VanDerWaalsContact CA-SG 3.56Å; C247-C285 HydrophobicContact CB-CB 3.83Å; C247-C285 WeakPolarHBondContact CB-SG 3.49Å; C247-C285 PolarHBondContact N-SG 3.22Å; C247-C285 WeakPolarHBondContact SG-CB 3.38Å; C247-C285 CovalentContact SG-SG 2.03Å; C247-C285 PolarHBondContact SG-SG 3.27Å
248E96.3Very high93.6Very high38 Ų3842.3 Ų42.318%0.17821%0.208CC..G310 helixtrans-68.6-22.7176.1-54.9-168.795.300112.7K210 N246 W251 P315 P363K210-E248 HydrophobicContact CD-CB 4.28Å; K210-E248 WeakPolarHBondContact CD-OE2 3.17Å; K210-E248 IonicContact NZ-OE1 3.11Å; K210-E248 PolarHBondContact NZ-OE1 3.1Å; K210-E248 IonicContact NZ-OE2 3.58Å; K210-E248 PolarHBondContact NZ-OE2 3.49Å; N246-E248 PolarHBondContact O-N 3.12Å; N246-E248 WeakPolarHBondContact OD1-CB 3.21Å; N246-E248 WeakPolarHBondContact OD1-CG 3.48Å; N246-E248 PolarHBondContact OD1-N 3.03Å; E248-W251 PolarHBondContact O-NE1 2.94Å; E248-W251 VanDerWaalsContact O-NE1 3.13Å; E248-P315 HydrophobicContact CG-CG 4.23Å; E248-P315 WeakPolarHBondContact OE2-CB 3.28Å; E248-P315 WeakPolarHBondContact OE2-CG 3.49Å; E248-P363 HydrophobicContact CG-CG 4.12Å
249L96.4Very high93Very high0 Ų046.1 Ų46.10%023%0.228CC..G310 helixtrans-96-0.1173.5-68.3-175.3000113.8K210 L243 H244 N246 C247 W251 L252 R253 F275 F283K210-L249 HydrophobicContact CB-CD2 4.03Å; K210-L249 HydrophobicContact CB-CG 4.38Å; L243-L249 HydrophobicContact CB-CD1 4.16Å; L243-L249 HydrophobicContact CD2-CD1 4.26Å; H244-L249 WeakPolarHBondContact O-CD1 3.21Å; N246-L249 PolarHBondContact O-N 2.96Å; N246-L249 VanDerWaalsContact O-N 3.1Å; C247-L249 PolarHBondContact O-N 2.86Å; L249-W251 PolarHBondContact O-N 3.37Å; L249-L252 HydrophobicContact CD2-CD2 4.11Å; L249-L252 WeakPolarHBondContact O-CB 3.1Å; L249-L252 PolarHBondContact O-N 3.33Å; L249-R253 PolarHBondContact O-N 2.7Å; L249-F275 HydrophobicContact CB-CE2 3.94Å; L249-F275 HydrophobicContact CB-CZ 4.24Å; L249-F275 HydrophobicContact CD1-CE2 3.94Å; L249-F283 HydrophobicContact CB-CD1 4.36Å; L249-F283 HydrophobicContact CB-CE1 4.33Å
250L95.6Very high92.5Very high30 Ų3049.5 Ų49.516%0.15725%0.245CC..Hα-helixtrans-61.6-29.9179.8-179.557.7000112.9C247 L252 R254 E280 F283C247-L250 VanDerWaalsContact O-CB 3.23Å; C247-L250 WeakPolarHBondContact O-CB 3.46Å; C247-L250 PolarHBondContact O-N 2.75Å; L250-L252 VanDerWaalsContact C-N 3.34Å; L250-R254 WeakPolarHBondContact O-CG 3.34Å; L250-R254 PolarHBondContact O-N 3.48Å; L250-E280 HydrophobicContact CD1-CB 3.83Å; L250-E280 HydrophobicContact CD1-CG 3.88Å; L250-F283 HydrophobicContact CB-CB 4.3Å; L250-F283 HydrophobicContact CD1-CB 4.26Å
251W93.6Very high92.4Very high59 Ų5951.8 Ų51.822%0.22324%0.243CC..Hα-helixtrans-67.3-35.8174.573.6-95.9000112.2L211 P212 P213 F217 E248 L249 L255L211-W251 HydrophobicContact CB-CZ2 4.05Å; L211-W251 PolarHBondContact O-NE1 3.1Å; P212-W251 WeakPolarHBondContact O-CZ2 3.09Å; P213-W251 HydrophobicContact CB-CD2 4.05Å; P213-W251 HydrophobicContact CB-CG 4.11Å; F217-W251 HydrophobicContact CB-CH2 3.93Å; F217-W251 HydrophobicContact CB-CZ3 3.64Å; F217-W251 AromaticContact CD2-CH2 3.42Å; F217-W251 HydrophobicContact CD2-CH2 3.42Å; F217-W251 VanDerWaalsContact CD2-CH2 3.42Å; F217-W251 HydrophobicContact CD2-CZ2 4.29Å; F217-W251 AromaticContact CD2-CZ3 3.97Å; F217-W251 HydrophobicContact CD2-CZ3 3.97Å; F217-W251 HydrophobicContact CE2-CH2 4.24Å; F217-W251 AromaticContact CG-CH2 3.94Å; F217-W251 HydrophobicContact CG-CH2 3.94Å; F217-W251 HydrophobicContact CG-CZ3 4.18Å; E248-W251 PolarHBondContact O-NE1 2.94Å; E248-W251 VanDerWaalsContact O-NE1 3.13Å; L249-W251 PolarHBondContact O-N 3.37Å; W251-L255 HydrophobicContact CZ3-CD1 4.31Å
252L93.9Very high92.3Very high0 Ų051.4 Ų51.40%024%0.241CC..Hα-helixtrans-74.7-42.2179178.862.3000110L211 L236 F238 L249 L250 R254 L255 F275 W276L211-L252 HydrophobicContact CD1-CD2 4.02Å; L236-L252 HydrophobicContact CD2-CD1 4.28Å; F238-L252 HydrophobicContact CD2-CD2 4.3Å; F238-L252 HydrophobicContact CE1-CD1 4.15Å; F238-L252 HydrophobicContact CE1-CD2 4.22Å; F238-L252 HydrophobicContact CE1-CG 4.49Å; F238-L252 HydrophobicContact CE2-CD2 3.7Å; F238-L252 HydrophobicContact CZ-CD1 4.22Å; F238-L252 HydrophobicContact CZ-CD2 3.66Å; F238-L252 HydrophobicContact CZ-CG 4.07Å; L249-L252 HydrophobicContact CD2-CD2 4.11Å; L249-L252 WeakPolarHBondContact O-CB 3.1Å; L249-L252 PolarHBondContact O-N 3.33Å; L250-L252 VanDerWaalsContact C-N 3.34Å; L252-R254 PolarHBondContact O-N 3.29Å; L252-L255 HydrophobicContact CD1-CD1 4.02Å; L252-L255 WeakPolarHBondContact O-CB 3.29Å; L252-L255 WeakPolarHBondContact O-CG 3.29Å; L252-L255 PolarHBondContact O-N 2.97Å; L252-F275 HydrophobicContact CB-CZ 4.12Å; L252-F275 HydrophobicContact CD2-CE1 4.32Å; L252-F275 HydrophobicContact CD2-CZ 3.95Å; L252-F275 HydrophobicContact CG-CE1 4.02Å; L252-F275 HydrophobicContact CG-CZ 3.9Å; L252-W276 WeakPolarHBondContact O-CH2 3.09Å; L252-W276 WeakPolarHBondContact O-CZ3 3.41Å
253R94Very high92.2Very high51 Ų5151.5 Ų51.519%0.19224%0.241CC..Hα-helixtrans-58.5-27.4175.818059.9-171.287.2-4.7113.6L249 L255 F275 W276 I278 E280 F283L249-R253 PolarHBondContact O-N 2.7Å; R253-L255 VanDerWaalsContact C-N 3.33Å; R253-F275 HydrophobicContact CB-CE1 4.13Å; R253-F275 HydrophobicContact CB-CZ 3.95Å; R253-W276 PolarHBondContact NH2-O 3.05Å; R253-I278 PolarHBondContact NE-O 3.28Å; R253-I278 PolarHBondContact NH2-O 3.38Å; R253-E280 HydrophobicContact CG-CG 4.23Å; R253-F283 HydrophobicContact CB-CD2 4.39Å; R253-F283 HydrophobicContact CB-CE2 4.08Å; R253-F283 HydrophobicContact CB-CZ 4.17Å; R253-F283 HydrophobicContact CG-CD2 3.93Å; R253-F283 HydrophobicContact CG-CE2 3.49Å; R253-F283 VanDerWaalsContact CG-CE2 3.49Å; R253-F283 HydrophobicContact CG-CZ 3.98Å
254R92.4Very high92.3Very high142 Ų14251.5 Ų51.554%0.53624%0.241SC..THydrogen-bonded Turntrans-76.3-12177-80170.6171.8149.812.8114.9L250 L252 E280L250-R254 WeakPolarHBondContact O-CG 3.34Å; L250-R254 PolarHBondContact O-N 3.48Å; L252-R254 PolarHBondContact O-N 3.29Å; R254-E280 HydrophobicContact CG-CG 4.4Å; R254-E280 WeakPolarHBondContact CG-OE2 3.35Å; R254-E280 IonicContact CZ-OE2 2.69Å; R254-E280 VanDerWaalsContact CZ-OE2 3.25Å; R254-E280 IonicContact NE-OE2 3.78Å; R254-E280 PolarHBondContact NE-OE2 2.99Å; R254-E280 IonicContact NH2-OE2 2.76Å; R254-E280 PolarHBondContact NH2-OE2 3.16Å
255L89Confident92.3Very high18 Ų1852.3 Ų52.39%0.09425%0.253CS..SBendtrans-72.6148.2176.9-58-172.7000111.1F217 Q221 W251 L252 R253 R257 W276F217-L255 WeakPolarHBondContact O-CD1 3.17Å; Q221-L255 HydrophobicContact CB-CB 4.46Å; W251-L255 HydrophobicContact CZ3-CD1 4.31Å; L252-L255 HydrophobicContact CD1-CD1 4.02Å; L252-L255 WeakPolarHBondContact O-CB 3.29Å; L252-L255 WeakPolarHBondContact O-CG 3.29Å; L252-L255 PolarHBondContact O-N 2.97Å; R253-L255 VanDerWaalsContact C-N 3.33Å; L255-R257 HydrophobicContact CB-CG 4.34Å; L255-W276 HydrophobicContact CB-CH2 4.48Å; L255-W276 WeakPolarHBondContact O-CZ3 3.36Å
256K83.6Confident92.2Very high156 Ų15654.9 Ų54.968%0.67827%0.269SS*.  trans-93.5104.9170.4-67.7-175.9-179.4-179.50109.6Q221 V222Q221-K256 VanDerWaalsContact CA-O 3.3Å; Q221-K256 WeakPolarHBondContact CA-O 3.4Å; V222-K256 PolarHBondContact N-O 3.26Å
257R83.4Confident92.2Very high55 Ų5556 Ų5621%0.20828%0.276CS..  trans-132169-177.5-76.1-175.851.781.21.8111.2L236 L255 D260 W276L236-R257 VanDerWaalsContact O-CZ 3.3Å; L236-R257 PolarHBondContact O-NH1 3.4Å; L236-R257 VanDerWaalsContact O-NH1 3.09Å; L236-R257 PolarHBondContact O-NH2 3.34Å; L255-R257 HydrophobicContact CB-CG 4.34Å; R257-D260 IonicContact NH2-OD2 3.67Å; R257-D260 PolarHBondContact NH2-OD2 3.34Å; R257-W276 HydrophobicContact CB-CH2 4.12Å; R257-W276 HydrophobicContact CB-CZ2 3.98Å; R257-W276 HydrophobicContact CG-CH2 4.29Å; R257-W276 HydrophobicContact CG-CZ2 4.39Å
258E81.3Confident92.2Very high157 Ų15763.1 Ų63.173%0.73431%0.306SS*.  trans-76.9157.6162.4-65.5173-170.700109.2
259D82.5Confident92.2Very high80 Ų8067.4 Ų67.443%0.42833%0.325SS..  trans-93.9105.4-176.3-168.1-25.9000109.1L261D259-L261 PolarHBondContact O-N 2.58Å; D259-L261 WeakPolarHBondContact OD1-CA 3.19Å; D259-L261 PolarHBondContact OD1-N 3.06Å
260D84.4Confident92.2Very high78 Ų7867.5 Ų67.542%0.41733%0.326SS..  trans-88.418.7179.1-68.1-50.2000111.2R257 E262R257-D260 IonicContact NH2-OD2 3.67Å; R257-D260 PolarHBondContact NH2-OD2 3.34Å; D260-E262 WeakPolarHBondContact CA-OE2 3.13Å; D260-E262 HydrophobicContact CB-CG 4.29Å; D260-E262 PolarHBondContact N-OE2 2.89Å; D260-E262 PolarHBondContact O-N 2.8Å
261L92.1Very high92.3Very high105 Ų10568.4 Ų68.455%0.5534%0.338SS..  trans60.228.9-174.8-53.4177.1000113.7D259 T263 Y274D259-L261 PolarHBondContact O-N 2.58Å; D259-L261 WeakPolarHBondContact OD1-CA 3.19Å; D259-L261 PolarHBondContact OD1-N 3.06Å; L261-T263 PolarHBondContact O-N 3.28Å; L261-T263 PolarHBondContact O-OG1 3.02Å; L261-Y274 HydrophobicContact CB-CD1 4.3Å; L261-Y274 HydrophobicContact CB-CE1 4.09Å; L261-Y274 HydrophobicContact CD2-CD1 4.32Å; L261-Y274 HydrophobicContact CD2-CE1 4.04Å
262E95.6Very high92.4Very high0 Ų068.5 Ų68.50%036%0.357CS..  trans-58.4134.9174.2-49.6100.912100109.9F238 L243 D260 Y274 F275 W276F238-E262 HydrophobicContact CD2-CB 4.42Å; F238-E262 HydrophobicContact CD2-CG 4Å; F238-E262 HydrophobicContact CE1-CG 4.28Å; F238-E262 WeakPolarHBondContact CE1-OE1 3.37Å; F238-E262 HydrophobicContact CE2-CB 3.92Å; F238-E262 HydrophobicContact CE2-CG 3.69Å; F238-E262 HydrophobicContact CG-CG 4.41Å; F238-E262 HydrophobicContact CZ-CB 4.36Å; F238-E262 HydrophobicContact CZ-CG 3.84Å; F238-E262 WeakPolarHBondContact CZ-OE1 3.47Å; L243-E262 HydrophobicContact CD1-CB 4.19Å; D260-E262 WeakPolarHBondContact CA-OE2 3.13Å; D260-E262 HydrophobicContact CB-CG 4.29Å; D260-E262 PolarHBondContact N-OE2 2.89Å; D260-E262 PolarHBondContact O-N 2.8Å; E262-Y274 CarbonylContact O-C 3.49Å; E262-Y274 WeakPolarHBondContact O-CA 3.45Å; E262-F275 HydrophobicContact CB-CB 4.04Å; E262-F275 WeakPolarHBondContact O-CB 3.26Å; E262-F275 PolarHBondContact O-N 2.85Å; E262-W276 PolarHBondContact OE1-NE1 3.08Å; E262-W276 VanDerWaalsContact OE2-CD1 3.26Å; E262-W276 PolarHBondContact OE2-NE1 3.26Å
263T96.6Very high92.5Very high45 Ų4572.8 Ų72.828%0.27637%0.373SS..BIsolated β-bridgetrans-130136.6-166.9-62.70000111L261L261-T263 PolarHBondContact O-N 3.28Å; L261-T263 PolarHBondContact O-OG1 3.02Å
264C98.1Very high92.6Very high2 Ų275.7 Ų75.71%0.01439%0.385CS..EExtended strand (participates in β ladder)trans-76.2130.5175-63.20000110.8C245 L270 A271 G272 R273 I278C245-C264 HydrophobicContact CB-CB 3.78Å; C245-C264 WeakPolarHBondContact CB-SG 3.44Å; C245-C264 VanDerWaalsContact SG-CA 3.59Å; C245-C264 WeakPolarHBondContact SG-CB 3.3Å; C245-C264 CovalentContact SG-SG 2.02Å; C245-C264 PolarHBondContact SG-SG 2.9Å; C264-L270 HydrophobicContact CB-CB 4.2Å; C264-L270 WeakPolarHBondContact CB-O 3.41Å; C264-A271 CarbonylContact O-C 3.57Å; C264-A271 WeakPolarHBondContact O-CA 3.38Å; C264-G272 PolarHBondContact O-N 2.87Å; C264-R273 PolarHBondContact N-O 3.11Å; C264-I278 HydrophobicContact CB-CD1 4.24Å; C264-I278 WeakPolarHBondContact SG-CD1 3.35Å
265A97.9Very high92.8Very high46 Ų4668.9 Ų68.938%0.3836%0.359SS..EExtended strand (participates in β ladder)trans-95.5-29.7172.700000112.3P242 L243 A271P242-A265 HydrophobicContact CB-CB 3.91Å; L243-A265 PolarHBondContact O-N 3.33Å; A265-A271 WeakPolarHBondContact O-CB 3.33Å
266T97Very high93.1Very high55 Ų5569.5 Ų69.534%0.33736%0.36SS..EExtended strand (participates in β ladder)trans-146.4164.9177.155.30000109.8L243 H244 C245L243-T266 PolarHBondContact O-N 3.19Å; H244-T266 WeakPolarHBondContact CA-OG1 3.1Å; H244-T266 PolarHBondContact ND1-OG1 2.85Å; C245-T266 PolarHBondContact N-O 3.26Å
267P96.8Very high93.6Very high23 Ų2365.1 Ų65.115%0.14935%0.35CS..SBendcis-61.9167.2-10.928.5-37.3000112.8H269 L270 A271P267-H269 WeakPolarHBondContact CG-CE1 3.16Å; P267-H269 PolarHBondContact O-N 2.89Å; P267-L270 HydrophobicContact CG-CD1 4.32Å; P267-L270 HydrophobicContact CG-CG 4.39Å; P267-L270 PolarHBondContact O-N 3.21Å; P267-A271 PolarHBondContact O-N 3.11Å; P267-A271 VanDerWaalsContact O-N 3.1Å
268E95.8Very high94.2Very high186 Ų18662.6 Ų62.687%0.86934%0.34SS*.THydrogen-bonded Turntrans-54.3-32.2-172.2-65.2-173.716500114L270 A271E268-L270 VanDerWaalsContact C-N 3.3Å; E268-L270 PolarHBondContact O-N 3.25Å; E268-A271 WeakPolarHBondContact O-CB 3.47Å; E268-A271 PolarHBondContact O-N 3.08Å
269H95.6Very high94.9Very high128 Ų12857.4 Ų57.459%0.59332%0.321SS*.THydrogen-bonded Turntrans-77.2-11.3179.864.7-95.3000114.4P267P267-H269 WeakPolarHBondContact CG-CE1 3.16Å; P267-H269 PolarHBondContact O-N 2.89Å
270L96.9Very high95.6Very high1 Ų157.5 Ų57.51%0.00532%0.319CS..THydrogen-bonded Turntrans-111.3-5.7172.2-60-178.4000112.8C245 C264 P267 E268 G272 R273 I278 E282C245-L270 HydrophobicContact CB-CD1 3.87Å; C245-L270 WeakPolarHBondContact O-CD1 3.46Å; C264-L270 HydrophobicContact CB-CB 4.2Å; C264-L270 WeakPolarHBondContact CB-O 3.41Å; P267-L270 HydrophobicContact CG-CD1 4.32Å; P267-L270 HydrophobicContact CG-CG 4.39Å; P267-L270 PolarHBondContact O-N 3.21Å; E268-L270 VanDerWaalsContact C-N 3.3Å; E268-L270 PolarHBondContact O-N 3.25Å; L270-G272 PolarHBondContact O-N 3.05Å; L270-R273 WeakPolarHBondContact O-CB 3.42Å; L270-R273 PolarHBondContact O-N 3.4Å; L270-R273 VanDerWaalsContact O-N 3.1Å; L270-I278 HydrophobicContact CB-CD1 4.26Å; L270-I278 HydrophobicContact CD1-CD1 4.39Å; L270-I278 HydrophobicContact CD1-CG2 4.27Å; L270-I278 HydrophobicContact CD2-CD1 4.2Å; L270-I278 HydrophobicContact CD2-CG1 4.3Å; L270-I278 HydrophobicContact CD2-CG2 3.96Å; L270-E282 HydrophobicContact CD2-CB 4.26Å
271A97.1Very high96.1Very high50 Ų5061.9 Ų61.941%0.41334%0.337SS..THydrogen-bonded Turntrans-57.8129.2-176.800000112C264 A265 P267 E268 R273C264-A271 CarbonylContact O-C 3.57Å; C264-A271 WeakPolarHBondContact O-CA 3.38Å; A265-A271 WeakPolarHBondContact O-CB 3.33Å; P267-A271 PolarHBondContact O-N 3.11Å; P267-A271 VanDerWaalsContact O-N 3.1Å; E268-A271 WeakPolarHBondContact O-CB 3.47Å; E268-A271 PolarHBondContact O-N 3.08Å; A271-R273 VanDerWaalsContact C-N 3.32Å; A271-R273 PolarHBondContact O-N 3.45Å
272G95.8Very high96.4Very high61 Ų6159.6 Ų59.663%0.62932%0.324SS*.THydrogen-bonded Turntrans79.52.4-178.400000115.4C264 L270C264-G272 PolarHBondContact O-N 2.87Å; L270-G272 PolarHBondContact O-N 3.05Å
273R96.8Very high96.4Very high89 Ų8959.8 Ų59.834%0.33632%0.324SS..  trans-91.6143.3173.7-68.3-175.862.1-165.9-7.9111.9C264 L270 A271 S277 I278 E282C264-R273 PolarHBondContact N-O 3.11Å; L270-R273 WeakPolarHBondContact O-CB 3.42Å; L270-R273 PolarHBondContact O-N 3.4Å; L270-R273 VanDerWaalsContact O-N 3.1Å; A271-R273 VanDerWaalsContact C-N 3.32Å; A271-R273 PolarHBondContact O-N 3.45Å; R273-S277 PolarHBondContact NH2-O 3.13Å; R273-I278 HydrophobicContact CB-CD1 3.94Å; R273-I278 HydrophobicContact CB-CG1 4.04Å; R273-E282 IonicContact CZ-OE2 2.65Å; R273-E282 IonicContact NH1-OE2 3.82Å; R273-E282 PolarHBondContact NH1-OE2 3.02Å; R273-E282 IonicContact NH2-OE1 3.12Å; R273-E282 IonicContact NH2-OE2 2.93Å
274Y96.6Very high96.4Very high112 Ų11263.1 Ų63.144%0.43934%0.34SS..BIsolated β-bridgetrans-66.5132.3174.3-58.4-61.2000111L261 E262 W276 S277 I278L261-Y274 HydrophobicContact CB-CD1 4.3Å; L261-Y274 HydrophobicContact CB-CE1 4.09Å; L261-Y274 HydrophobicContact CD2-CD1 4.32Å; L261-Y274 HydrophobicContact CD2-CE1 4.04Å; E262-Y274 CarbonylContact O-C 3.49Å; E262-Y274 WeakPolarHBondContact O-CA 3.45Å; Y274-W276 PolarHBondContact O-N 3.47Å; Y274-S277 WeakPolarHBondContact O-CB 3.39Å; Y274-S277 PolarHBondContact O-N 2.85Å; Y274-S277 PolarHBondContact O-OG 3.27Å; Y274-I278 PolarHBondContact O-N 2.91Å
275F96.8Very high96.4Very high0 Ų064.1 Ų64.10%035%0.347CS..G310 helixtrans-54-46.9-172.5-178.6-98000112.9F238 L243 L249 L252 R253 E262 S277 I278 F283F238-F275 HydrophobicContact CZ-CD1 4.35Å; F238-F275 HydrophobicContact CZ-CE1 4.33Å; L243-F275 HydrophobicContact CD1-CD2 4.01Å; L243-F275 HydrophobicContact CD1-CG 4.45Å; L249-F275 HydrophobicContact CB-CE2 3.94Å; L249-F275 HydrophobicContact CB-CZ 4.24Å; L249-F275 HydrophobicContact CD1-CE2 3.94Å; L252-F275 HydrophobicContact CB-CZ 4.12Å; L252-F275 HydrophobicContact CD2-CE1 4.32Å; L252-F275 HydrophobicContact CD2-CZ 3.95Å; L252-F275 HydrophobicContact CG-CE1 4.02Å; L252-F275 HydrophobicContact CG-CZ 3.9Å; R253-F275 HydrophobicContact CB-CE1 4.13Å; R253-F275 HydrophobicContact CB-CZ 3.95Å; E262-F275 HydrophobicContact CB-CB 4.04Å; E262-F275 WeakPolarHBondContact O-CB 3.26Å; E262-F275 PolarHBondContact O-N 2.85Å; F275-S277 VanDerWaalsContact C-N 3.31Å; F275-S277 PolarHBondContact O-N 3.18Å; F275-I278 PolarHBondContact O-N 3.04Å; F275-F283 AromaticContact CD2-CE1 3.98Å; F275-F283 HydrophobicContact CD2-CE1 3.98Å; F275-F283 AromaticContact CD2-CZ 3.91Å; F275-F283 HydrophobicContact CD2-CZ 3.91Å; F275-F283 AromaticContact CE2-CE1 3.52Å; F275-F283 HydrophobicContact CE2-CE1 3.52Å; F275-F283 AromaticContact CE2-CZ 3.75Å; F275-F283 HydrophobicContact CE2-CZ 3.75Å; F275-F283 HydrophobicContact CZ-CE1 4.21Å; F275-F283 HydrophobicContact CZ-CZ 4.26Å
276W95Very high96.4Very high30 Ų3068.2 Ų68.211%0.11436%0.358CS..G310 helixtrans-74.7-18.1179.9-54.6107.6000113.7F238 L252 R253 L255 R257 E262 Y274F238-W276 HydrophobicContact CE1-CZ2 4.14Å; F238-W276 AromaticContact CZ-CZ2 3.84Å; F238-W276 HydrophobicContact CZ-CZ2 3.84Å; L252-W276 WeakPolarHBondContact O-CH2 3.09Å; L252-W276 WeakPolarHBondContact O-CZ3 3.41Å; R253-W276 PolarHBondContact NH2-O 3.05Å; L255-W276 HydrophobicContact CB-CH2 4.48Å; L255-W276 WeakPolarHBondContact O-CZ3 3.36Å; R257-W276 HydrophobicContact CB-CH2 4.12Å; R257-W276 HydrophobicContact CB-CZ2 3.98Å; R257-W276 HydrophobicContact CG-CH2 4.29Å; R257-W276 HydrophobicContact CG-CZ2 4.39Å; E262-W276 PolarHBondContact OE1-NE1 3.08Å; E262-W276 VanDerWaalsContact OE2-CD1 3.26Å; E262-W276 PolarHBondContact OE2-NE1 3.26Å; Y274-W276 PolarHBondContact O-N 3.47Å
277S94.4Very high96.4Very high65 Ų6569.5 Ų69.546%0.45537%0.367SS..G310 helixtrans-79.6-16.5177.180.60000114.1R273 Y274 F275R273-S277 PolarHBondContact NH2-O 3.13Å; Y274-S277 WeakPolarHBondContact O-CB 3.39Å; Y274-S277 PolarHBondContact O-N 2.85Å; Y274-S277 PolarHBondContact O-OG 3.27Å; F275-S277 VanDerWaalsContact C-N 3.31Å; F275-S277 PolarHBondContact O-N 3.18Å
278I96Very high96.4Very high1 Ų169 Ų691%0.00536%0.364CS..SBendtrans-82.9142.3178.6-61.6160.6000108.3R253 C264 L270 R273 Y274 F275 E282 F283R253-I278 PolarHBondContact NE-O 3.28Å; R253-I278 PolarHBondContact NH2-O 3.38Å; C264-I278 HydrophobicContact CB-CD1 4.24Å; C264-I278 WeakPolarHBondContact SG-CD1 3.35Å; L270-I278 HydrophobicContact CB-CD1 4.26Å; L270-I278 HydrophobicContact CD1-CD1 4.39Å; L270-I278 HydrophobicContact CD1-CG2 4.27Å; L270-I278 HydrophobicContact CD2-CD1 4.2Å; L270-I278 HydrophobicContact CD2-CG1 4.3Å; L270-I278 HydrophobicContact CD2-CG2 3.96Å; R273-I278 HydrophobicContact CB-CD1 3.94Å; R273-I278 HydrophobicContact CB-CG1 4.04Å; Y274-I278 PolarHBondContact O-N 2.91Å; F275-I278 PolarHBondContact O-N 3.04Å; I278-E282 HydrophobicContact CG2-CB 3.5Å; I278-E282 VanDerWaalsContact CG2-CB 3.5Å; I278-E282 HydrophobicContact CG2-CG 4.28Å; I278-F283 HydrophobicContact CB-CE2 3.79Å; I278-F283 HydrophobicContact CB-CZ 4.19Å; I278-F283 HydrophobicContact CG2-CD2 3.96Å; I278-F283 HydrophobicContact CG2-CE2 3.46Å; I278-F283 VanDerWaalsContact CG2-CE2 3.46Å; I278-F283 HydrophobicContact CG2-CZ 4.1Å
279S96.2Very high96.5Very high48 Ų4865.6 Ų65.634%0.33635%0.351SS..  trans-78155.7177.168.60000111.9E281 E282 F283S279-E281 PolarHBondContact O-N 3.04Å; S279-E281 VanDerWaalsContact O-N 3.13Å; S279-E282 VanDerWaalsContact CB-OE1 3.28Å; S279-E282 WeakPolarHBondContact CB-OE1 3.41Å; S279-E282 PolarHBondContact N-OE1 3.05Å; S279-E282 PolarHBondContact O-N 2.93Å; S279-E282 VanDerWaalsContact O-N 3.14Å; S279-E282 WeakPolarHBondContact OG-CG 3.27Å; S279-E282 PolarHBondContact OG-OE1 3.19Å; S279-F283 VanDerWaalsContact O-CD2 3.29Å; S279-F283 WeakPolarHBondContact O-CD2 3.09Å
280E96.1Very high96.5Very high82 Ų8260.7 Ų60.738%0.38333%0.329SS..G310 helixtrans-58.1-25.5176.2-77.3-171.4-13800113.5L250 R253 R254 E282L250-E280 HydrophobicContact CD1-CB 3.83Å; L250-E280 HydrophobicContact CD1-CG 3.88Å; R253-E280 HydrophobicContact CG-CG 4.23Å; R254-E280 HydrophobicContact CG-CG 4.4Å; R254-E280 WeakPolarHBondContact CG-OE2 3.35Å; R254-E280 IonicContact CZ-OE2 2.69Å; R254-E280 VanDerWaalsContact CZ-OE2 3.25Å; R254-E280 IonicContact NE-OE2 3.78Å; R254-E280 PolarHBondContact NE-OE2 2.99Å; R254-E280 IonicContact NH2-OE2 2.76Å; R254-E280 PolarHBondContact NH2-OE2 3.16Å; E280-E282 VanDerWaalsContact C-N 3.32Å
281E95.8Very high96.4Very high171 Ų17163.8 Ų63.880%0.79935%0.348SS*.G310 helixtrans-77.8-16.8-177.8-64.6170.7-153.800112.8S279 L284S279-E281 PolarHBondContact O-N 3.04Å; S279-E281 VanDerWaalsContact O-N 3.13Å; E281-L284 WeakPolarHBondContact O-CD2 3.14Å
282E96.8Very high96.2Very high56 Ų5669.7 Ų69.726%0.26236%0.36SS..G310 helixtrans-86.4-16.5176.8-72.9164-83.500113.1L270 R273 I278 S279 E280 L284L270-E282 HydrophobicContact CD2-CB 4.26Å; R273-E282 IonicContact CZ-OE2 2.65Å; R273-E282 IonicContact NH1-OE2 3.82Å; R273-E282 PolarHBondContact NH1-OE2 3.02Å; R273-E282 IonicContact NH2-OE1 3.12Å; R273-E282 IonicContact NH2-OE2 2.93Å; I278-E282 HydrophobicContact CG2-CB 3.5Å; I278-E282 VanDerWaalsContact CG2-CB 3.5Å; I278-E282 HydrophobicContact CG2-CG 4.28Å; S279-E282 VanDerWaalsContact CB-OE1 3.28Å; S279-E282 WeakPolarHBondContact CB-OE1 3.41Å; S279-E282 PolarHBondContact N-OE1 3.05Å; S279-E282 PolarHBondContact O-N 2.93Å; S279-E282 VanDerWaalsContact O-N 3.14Å; S279-E282 WeakPolarHBondContact OG-CG 3.27Å; S279-E282 PolarHBondContact OG-OE1 3.19Å; E280-E282 VanDerWaalsContact C-N 3.32Å; E282-L284 PolarHBondContact O-N 3.03Å
283F97.4Very high96.1Very high4 Ų470 Ų702%0.01834%0.344CS..  trans-8069.3176.9-72.8-95000111.2C245 N246 C247 L249 L250 R253 F275 I278 S279C245-F283 HydrophobicContact CB-CD1 4.06Å; C245-F283 HydrophobicContact CB-CE1 3.61Å; C245-F283 HydrophobicContact CB-CZ 4.41Å; C245-F283 WeakPolarHBondContact O-CD1 3.43Å; N246-F283 WeakPolarHBondContact O-CD1 3.35Å; C247-F283 VanDerWaalsContact CA-O 3.27Å; C247-F283 WeakPolarHBondContact CA-O 3.27Å; C247-F283 WeakPolarHBondContact CB-O 3.45Å; C247-F283 PolarHBondContact N-O 2.9Å; L249-F283 HydrophobicContact CB-CD1 4.36Å; L249-F283 HydrophobicContact CB-CE1 4.33Å; L250-F283 HydrophobicContact CB-CB 4.3Å; L250-F283 HydrophobicContact CD1-CB 4.26Å; R253-F283 HydrophobicContact CB-CD2 4.39Å; R253-F283 HydrophobicContact CB-CE2 4.08Å; R253-F283 HydrophobicContact CB-CZ 4.17Å; R253-F283 HydrophobicContact CG-CD2 3.93Å; R253-F283 HydrophobicContact CG-CE2 3.49Å; R253-F283 VanDerWaalsContact CG-CE2 3.49Å; R253-F283 HydrophobicContact CG-CZ 3.98Å; F275-F283 AromaticContact CD2-CE1 3.98Å; F275-F283 HydrophobicContact CD2-CE1 3.98Å; F275-F283 AromaticContact CD2-CZ 3.91Å; F275-F283 HydrophobicContact CD2-CZ 3.91Å; F275-F283 AromaticContact CE2-CE1 3.52Å; F275-F283 HydrophobicContact CE2-CE1 3.52Å; F275-F283 AromaticContact CE2-CZ 3.75Å; F275-F283 HydrophobicContact CE2-CZ 3.75Å; F275-F283 HydrophobicContact CZ-CE1 4.21Å; F275-F283 HydrophobicContact CZ-CZ 4.26Å; I278-F283 HydrophobicContact CB-CE2 3.79Å; I278-F283 HydrophobicContact CB-CZ 4.19Å; I278-F283 HydrophobicContact CG2-CD2 3.96Å; I278-F283 HydrophobicContact CG2-CE2 3.46Å; I278-F283 VanDerWaalsContact CG2-CE2 3.46Å; I278-F283 HydrophobicContact CG2-CZ 4.1Å; S279-F283 VanDerWaalsContact O-CD2 3.29Å; S279-F283 WeakPolarHBondContact O-CD2 3.09Å
284L96.6Very high95.9Very high115 Ų11566.7 Ų66.760%0.60233%0.334SS*.  trans-86.6165.6-178.1-60.4177.8000112.4N246 C247 E281 E282N246-L284 CarbonylContact C-O 3.46Å; N246-L284 WeakPolarHBondContact CA-O 3.12Å; N246-L284 VanDerWaalsContact CB-O 3.23Å; N246-L284 WeakPolarHBondContact CB-O 3.39Å; C247-L284 PolarHBondContact N-O 2.95Å; E281-L284 WeakPolarHBondContact O-CD2 3.14Å; E282-L284 PolarHBondContact O-N 3.03Å
285C97.4Very high95.6Very high24 Ų2467.7 Ų67.716%0.16234%0.343CS..  trans-134.6147.4168.3-81.30000108.3C247 D314 A364C247-C285 VanDerWaalsContact CA-SG 3.56Å; C247-C285 HydrophobicContact CB-CB 3.83Å; C247-C285 WeakPolarHBondContact CB-SG 3.49Å; C247-C285 PolarHBondContact N-SG 3.22Å; C247-C285 WeakPolarHBondContact SG-CB 3.38Å; C247-C285 CovalentContact SG-SG 2.03Å; C247-C285 PolarHBondContact SG-SG 3.27Å; C285-D314 CarbonylContact C-O 3.49Å; C285-D314 WeakPolarHBondContact CA-O 3.3Å; C285-D314 WeakPolarHBondContact CB-O 3.42Å; C285-A364 HydrophobicContact CB-CB 3.73Å
286E97.1Very high95.4Very high131 Ų13172.5 Ų72.561%0.61237%0.365SS*.EExtended strand (participates in β ladder)trans-99.7126.4177.4-61.8-16916000110.6D314 N362E286-D314 HydrophobicContact CB-CB 3.95Å; E286-D314 HydrophobicContact CG-CB 4.08Å; E286-D314 PolarHBondContact N-O 2.61Å; E286-D314 PolarHBondContact O-N 3.17Å; E286-D314 VanDerWaalsContact O-N 3.11Å; E286-N362 PolarHBondContact O-ND2 3.23Å
287P97.3Very high95.1Very high82 Ų8273.5 Ų73.553%0.53237%0.372SS..EExtended strand (participates in β ladder)trans-65.7154.7-179.928.7-35.5000111.9L289 A364P287-L289 PolarHBondContact O-N 3.3Å; P287-A364 HydrophobicContact CB-CB 4.15Å
288P97.6Very high95.1Very high12 Ų1278.5 Ų78.58%0.07838%0.381CS..EExtended strand (participates in β ladder)trans-65134-174.326.1-35000112.6R312 P317 S360 N362 G365 A367P288-R312 CarbonylContact C-O 3.5Å; P288-R312 WeakPolarHBondContact CA-O 3.29Å; P288-P317 HydrophobicContact CB-CB 3.82Å; P288-P317 HydrophobicContact CB-CG 3.95Å; P288-S360 WeakPolarHBondContact CG-O 3.49Å; P288-N362 WeakPolarHBondContact CD-OD1 3.41Å; P288-G365 VanDerWaalsContact CD-O 3.29Å; P288-G365 WeakPolarHBondContact CD-O 3.36Å; P288-G365 WeakPolarHBondContact CG-O 3.42Å; P288-A367 HydrophobicContact CB-CB 4.18Å; P288-A367 HydrophobicContact CG-CB 3.95Å; P288-A367 VanDerWaalsContact O-CB 3.22Å; P288-A367 WeakPolarHBondContact O-CB 3.4Å
289L96.9Very high95Very high116 Ų11679.3 Ų79.361%0.60739%0.386SS*.EExtended strand (participates in β ladder)trans-119.2112.9172.3179.463000109.6P287 T291 A311 R312P287-L289 PolarHBondContact O-N 3.3Å; L289-T291 HydrophobicContact CD2-CG2 4.49Å; L289-T291 HydrophobicContact CG-CG2 4.32Å; L289-T291 PolarHBondContact O-N 3.44Å; L289-A311 CarbonylContact O-C 3.18Å; L289-A311 WeakPolarHBondContact O-CA 3.45Å; L289-A311 WeakPolarHBondContact O-CB 3.37Å; L289-R312 PolarHBondContact N-O 2.67Å; L289-R312 PolarHBondContact O-N 2.9Å
290I96.2Very high94.8Very high24 Ų2480.3 Ų80.312%0.12339%0.387CS..EExtended strand (participates in β ladder)trans-72.5111.2175.5-62.5172.6000108.6F293 A311 A367 Q369I290-F293 HydrophobicContact CG2-CB 4.42Å; I290-F293 HydrophobicContact CG2-CD1 4.09Å; I290-A311 HydrophobicContact CG1-CB 4.16Å; I290-A367 HydrophobicContact CD1-CB 4.27Å; I290-A367 HydrophobicContact CG1-CB 4.27Å; I290-Q369 HydrophobicContact CD1-CB 3.61Å; I290-Q369 HydrophobicContact CG2-CB 4.15Å
291T94.8Very high94.6Very high66 Ų6679.9 Ų79.941%0.40539%0.385SS..EExtended strand (participates in β ladder)trans-98.8-24.1-172.858.50000113.8L289 K310 R312L289-T291 HydrophobicContact CD2-CG2 4.49Å; L289-T291 HydrophobicContact CG-CG2 4.32Å; L289-T291 PolarHBondContact O-N 3.44Å; T291-K310 PolarHBondContact N-O 3.29Å; T291-K310 PolarHBondContact OG1-O 2.83Å; T291-R312 HydrophobicContact CG2-CB 4.39Å; T291-R312 HydrophobicContact CG2-CG 4.17Å
292R93.1Very high94.3Very high175 Ų17574 Ų7466%0.6637%0.37SS*.EExtended strand (participates in β ladder)trans-144.9132.7177.1-58.4179.967174.31.5110.4C309 K310R292-C309 CarbonylContact O-C 3.58Å; R292-C309 WeakPolarHBondContact O-CA 3.36Å; R292-K310 HydrophobicContact CB-CB 4.32Å; R292-K310 PolarHBondContact N-O 3.3Å; R292-K310 VanDerWaalsContact N-O 3.15Å; R292-K310 PolarHBondContact O-N 3.32Å
293F94.5Very high94.1Very high66 Ų6675.8 Ų75.829%0.28938%0.379SS..EExtended strand (participates in β ladder)trans-145.8150.9177.253.9-85.6000111.3I290 H295 R308 Q369I290-F293 HydrophobicContact CG2-CB 4.42Å; I290-F293 HydrophobicContact CG2-CD1 4.09Å; F293-H295 AromaticContact CD2-CE1 3.78Å; F293-H295 AromaticContact CD2-ND1 3.74Å; F293-H295 AromaticContact CE2-CE1 3.24Å; F293-H295 WeakPolarHBondContact CE2-CE1 3.31Å; F293-H295 AromaticContact CE2-ND1 3.57Å; F293-H295 AromaticContact CE2-NE2 3.63Å; F293-H295 AromaticContact CZ-CE1 3.64Å; F293-H295 AromaticContact CZ-NE2 3.93Å; F293-H295 PolarHBondContact O-ND1 3.15Å; F293-R308 CarbonylContact C-O 3.55Å; F293-R308 VanDerWaalsContact CA-O 3.24Å; F293-R308 WeakPolarHBondContact CA-O 3.45Å; F293-Q369 HydrophobicContact CB-CG 4.06Å; F293-Q369 HydrophobicContact CD1-CG 3.85Å; F293-Q369 HydrophobicContact CD2-CG 3.82Å; F293-Q369 HydrophobicContact CE1-CG 4.26Å; F293-Q369 HydrophobicContact CE2-CG 4.24Å; F293-Q369 VanDerWaalsContact CE2-NE2 3.25Å; F293-Q369 HydrophobicContact CG-CG 3.63Å; F293-Q369 HydrophobicContact CZ-CG 4.45Å
294S92.2Very high94Very high20 Ų2082.9 Ų82.914%0.1441%0.405CS..  trans-63.1136.8165.4-69.90000109.6R308 V371S294-R308 PolarHBondContact N-O 3.24Å; S294-R308 PolarHBondContact OG-N 2.81Å; S294-V371 VanDerWaalsContact O-CG1 3.31Å; S294-V371 WeakPolarHBondContact O-CG1 3.47Å; S294-V371 VanDerWaalsContact O-CG2 3.27Å; S294-V371 WeakPolarHBondContact O-CG2 3.04Å
295H89.1Confident93.9Very high133 Ų13377.4 Ų77.462%0.61638%0.377SS*.  trans-88.3-168.9172.7-69.748.6000109.7F293 M297F293-H295 AromaticContact CD2-CE1 3.78Å; F293-H295 AromaticContact CD2-ND1 3.74Å; F293-H295 AromaticContact CE2-CE1 3.24Å; F293-H295 WeakPolarHBondContact CE2-CE1 3.31Å; F293-H295 AromaticContact CE2-ND1 3.57Å; F293-H295 AromaticContact CE2-NE2 3.63Å; F293-H295 AromaticContact CZ-CE1 3.64Å; F293-H295 AromaticContact CZ-NE2 3.93Å; F293-H295 PolarHBondContact O-ND1 3.15Å; H295-M297 PolarHBondContact O-N 3.05Å
296E92.4Very high93.8Very high102 Ų10278 Ų7848%0.47738%0.381SS..SBendtrans-48127.8174.8-167.4-156.3148.100110.9R298 E372E296-R298 IonicContact OE1-CZ 3.53Å; E296-R298 IonicContact OE1-NE 3.15Å; E296-R298 PolarHBondContact OE1-NE 3.4Å; E296-R298 IonicContact OE1-NH2 2.79Å; E296-R298 PolarHBondContact OE1-NH2 3.33Å; E296-R298 IonicContact OE2-NH2 3.45Å; E296-E372 WeakPolarHBondContact CA-O 3.19Å; E296-E372 HydrophobicContact CG-CB 4.19Å; E296-E372 HydrophobicContact CG-CG 4.36Å
297M90.4Very high93.7Very high50 Ų5071.8 Ų71.825%0.24635%0.352CS..EExtended strand (participates in β ladder)trans-131.8129.2-175.4-159.2164.37300111.4H295 V299 V305 L307 E372 L373 V374H295-M297 PolarHBondContact O-N 3.05Å; M297-V299 HydrophobicContact CE-CG2 4.1Å; M297-V299 HydrophobicContact CG-CG2 4Å; M297-V305 HydrophobicContact CE-CB 4.37Å; M297-V305 HydrophobicContact CE-CG1 3.37Å; M297-L307 HydrophobicContact CE-CD2 3.69Å; M297-E372 PolarHBondContact N-O 3.33Å; M297-L373 HydrophobicContact CB-CD1 4.36Å; M297-L373 HydrophobicContact CE-CD1 4.23Å; M297-L373 WeakPolarHBondContact O-CA 3.15Å; M297-V374 PolarHBondContact O-N 3.44Å
298R93.6Very high93.6Very high171 Ų17175.3 Ų75.365%0.64536%0.355SS*.EExtended strand (participates in β ladder)trans-113.3124.6-179.8-54-167.6178.7-173.5-0.1109.3E296 V374 I376E296-R298 IonicContact OE1-CZ 3.53Å; E296-R298 IonicContact OE1-NE 3.15Å; E296-R298 PolarHBondContact OE1-NE 3.4Å; E296-R298 IonicContact OE1-NH2 2.79Å; E296-R298 PolarHBondContact OE1-NH2 3.33Å; E296-R298 IonicContact OE2-NH2 3.45Å; R298-V374 WeakPolarHBondContact CA-O 3.44Å; R298-V374 HydrophobicContact CG-CB 4.23Å; R298-I376 HydrophobicContact CB-CD1 4.2Å
299V93.1Very high93.5Very high17 Ų1774.8 Ų74.810%0.10335%0.351CS..EExtended strand (participates in β ladder)trans-139146.5-169.6-175.20000109.4M297 Q303 V305 L373 V374 I375 I376M297-V299 HydrophobicContact CE-CG2 4.1Å; M297-V299 HydrophobicContact CG-CG2 4Å; V299-Q303 HydrophobicContact CG1-CB 3.71Å; V299-V305 HydrophobicContact CB-CG2 4.38Å; V299-V305 HydrophobicContact CG1-CG2 4.11Å; V299-V305 HydrophobicContact CG2-CG2 4.35Å; V299-L373 HydrophobicContact CG2-CD1 4.13Å; V299-V374 PolarHBondContact N-O 3.48Å; V299-I375 HydrophobicContact CB-CD1 3.98Å; V299-I375 CarbonylContact O-C 3.57Å; V299-I375 WeakPolarHBondContact O-CA 3.12Å; V299-I376 PolarHBondContact O-N 2.86Å
300L92.1Very high93.5Very high69 Ų6973.9 Ų73.936%0.36134%0.342SS..EExtended strand (participates in β ladder)trans-75.6151176-63.4171.5000111.2Q303 S348 I376 L378L300-Q303 HydrophobicContact CB-CG 4.12Å; L300-Q303 VanDerWaalsContact N-OE1 3.13Å; L300-Q303 WeakPolarHBondContact O-CB 3.5Å; L300-Q303 PolarHBondContact O-N 2.85Å; L300-S348 PolarHBondContact O-OG 3.28Å; L300-I376 CarbonylContact C-O 3.13Å; L300-I376 WeakPolarHBondContact CA-O 3.11Å; L300-I376 HydrophobicContact CD2-CB 4.09Å; L300-I376 HydrophobicContact CD2-CG2 3.96Å; L300-L378 HydrophobicContact CB-CD1 3.87Å; L300-L378 HydrophobicContact CD1-CD1 4.31Å; L300-L378 HydrophobicContact CD2-CD1 4.15Å; L300-L378 HydrophobicContact CG-CD1 4.34Å
301E93.1Very high93.5Very high73 Ų7373.2 Ų73.234%0.34134%0.341SS..THydrogen-bonded Turntrans-60135.5173.5-173157.8-13100111.3S348 T349 V350 I375 I376E301-S348 WeakPolarHBondContact CA-OG 3.06Å; E301-T349 WeakPolarHBondContact OE1-CA 3.25Å; E301-V350 VanDerWaalsContact CD-CG2 3.47Å; E301-V350 HydrophobicContact CG-CG2 4.45Å; E301-V350 VanDerWaalsContact OE1-CG2 3.24Å; E301-V350 WeakPolarHBondContact OE1-CG2 3.16Å; E301-V350 PolarHBondContact OE1-N 3.38Å; E301-I375 HydrophobicContact CB-CG2 3.86Å; E301-I375 HydrophobicContact CG-CG2 4.4Å; E301-I376 PolarHBondContact N-O 2.91Å
302G89.3Confident93.5Very high48 Ų4878.8 Ų78.850%0.49535%0.354SS..THydrogen-bonded Turntrans86.5-9.2-175.600000116.1S348G302-S348 PolarHBondContact N-O 3.21Å; G302-S348 PolarHBondContact N-OG 2.88Å
303Q92Very high93.6Very high94 Ų9471.5 Ų71.544%0.43933%0.333SS..SBendtrans-81.7164.4176-68.3-176.9-30.500112.7V299 L300 S348V299-Q303 HydrophobicContact CG1-CB 3.71Å; L300-Q303 HydrophobicContact CB-CG 4.12Å; L300-Q303 VanDerWaalsContact N-OE1 3.13Å; L300-Q303 WeakPolarHBondContact O-CB 3.5Å; L300-Q303 PolarHBondContact O-N 2.85Å; Q303-S348 PolarHBondContact N-OG 3.3Å; Q303-S348 WeakPolarHBondContact O-CB 3.12Å; Q303-S348 PolarHBondContact O-N 3.03Å; Q303-S348 PolarHBondContact O-OG 2.8Å
304R94.3Very high93.8Very high152 Ų15269.6 Ų69.657%0.57433%0.326SS*.  trans-78.9136.2170.3-176.1-173.5-68.2-143.99.7110.6D344 I345R304-D344 WeakPolarHBondContact CD-OD2 3.12Å; R304-D344 IonicContact CZ-OD2 2.7Å; R304-D344 IonicContact NH1-OD2 3.48Å; R304-D344 PolarHBondContact NH1-OD2 3.25Å; R304-I345 WeakPolarHBondContact CA-O 2.89Å; R304-I345 WeakPolarHBondContact CG-O 3.45Å
305V95.2Very high94Very high1 Ų169.3 Ų69.31%0.00632%0.323CS..EExtended strand (participates in β ladder)trans-109.3139.8173.3-178.50000108M297 V299 L307 D344 I345 L373 I375M297-V305 HydrophobicContact CE-CB 4.37Å; M297-V305 HydrophobicContact CE-CG1 3.37Å; V299-V305 HydrophobicContact CB-CG2 4.38Å; V299-V305 HydrophobicContact CG1-CG2 4.11Å; V299-V305 HydrophobicContact CG2-CG2 4.35Å; V305-L307 HydrophobicContact CG1-CD2 3.81Å; V305-L307 HydrophobicContact CG1-CG 3.95Å; V305-D344 CarbonylContact O-C 3.5Å; V305-D344 VanDerWaalsContact O-CA 3.31Å; V305-D344 WeakPolarHBondContact O-CA 3.34Å; V305-I345 HydrophobicContact CB-CB 3.99Å; V305-I345 HydrophobicContact CB-CD1 4.36Å; V305-I345 HydrophobicContact CB-CG1 4.21Å; V305-I345 HydrophobicContact CG1-CD1 4.35Å; V305-I345 HydrophobicContact CG2-CB 4.4Å; V305-I345 PolarHBondContact N-O 2.98Å; V305-I345 PolarHBondContact O-N 3.02Å; V305-L373 HydrophobicContact CG1-CD1 3.69Å; V305-L373 HydrophobicContact CG1-CD2 3.82Å; V305-L373 HydrophobicContact CG1-CG 4.44Å; V305-L373 HydrophobicContact CG2-CD1 4.29Å; V305-L373 HydrophobicContact CG2-CD2 4.26Å; V305-I375 HydrophobicContact CG2-CD1 4.24Å
306S95.5Very high94.3Very high36 Ų3671.1 Ų71.125%0.25233%0.332SS..EExtended strand (participates in β ladder)trans-130.3104.1171.9-165.20000110.3T342 D344S306-T342 WeakPolarHBondContact OG-CG2 3.45Å; S306-D344 WeakPolarHBondContact CB-OD1 3.46Å; S306-D344 PolarHBondContact OG-OD1 3.5Å
307L95.9Very high94.5Very high0 Ų066.9 Ų66.90%031%0.313CS..EExtended strand (participates in β ladder)trans-94.1113.3178.3-56.2-177.2000108.7M297 V305 W321 T342 L343 F356 V371M297-L307 HydrophobicContact CE-CD2 3.69Å; V305-L307 HydrophobicContact CG1-CD2 3.81Å; V305-L307 HydrophobicContact CG1-CG 3.95Å; L307-W321 HydrophobicContact CB-CH2 3.65Å; L307-W321 HydrophobicContact CB-CZ2 3.99Å; L307-W321 HydrophobicContact CB-CZ3 4.11Å; L307-W321 HydrophobicContact CD1-CZ3 4.27Å; L307-W321 WeakPolarHBondContact O-CZ2 3.49Å; L307-T342 CarbonylContact O-C 3.11Å; L307-T342 WeakPolarHBondContact O-CA 3.41Å; L307-L343 HydrophobicContact CB-CB 4.4Å; L307-L343 HydrophobicContact CD1-CD2 4.34Å; L307-L343 PolarHBondContact N-O 3.02Å; L307-L343 PolarHBondContact O-N 3.28Å; L307-F356 HydrophobicContact CD1-CB 3.87Å; L307-F356 HydrophobicContact CD1-CD1 4.04Å; L307-F356 HydrophobicContact CD1-CD2 3.83Å; L307-F356 HydrophobicContact CD1-CE2 4.41Å; L307-F356 HydrophobicContact CD1-CG 3.62Å; L307-V371 HydrophobicContact CD2-CG1 4.03Å
308R94.9Very high94.7Very high157 Ų15766.8 Ų66.859%0.59232%0.321SS*.  trans-94.5137.6-179.2-65.8175.4-179.3175.2-0.6109.4F293 S294 T342F293-R308 CarbonylContact C-O 3.55Å; F293-R308 VanDerWaalsContact CA-O 3.24Å; F293-R308 WeakPolarHBondContact CA-O 3.45Å; S294-R308 PolarHBondContact N-O 3.24Å; S294-R308 PolarHBondContact OG-N 2.81Å; R308-T342 HydrophobicContact CG-CG2 3.98Å
309C95.5Very high94.8Very high0 Ų060.1 Ų60.10%030%0.297CS..EExtended strand (participates in β ladder)trans-139.3136.1165.3-171.40000108.1R292 I319 W321 G341 C358R292-C309 CarbonylContact O-C 3.58Å; R292-C309 WeakPolarHBondContact O-CA 3.36Å; C309-I319 HydrophobicContact CB-CG2 4.31Å; C309-W321 HydrophobicContact CB-CH2 3.96Å; C309-W321 HydrophobicContact CB-CZ2 3.43Å; C309-W321 VanDerWaalsContact CB-CZ2 3.43Å; C309-G341 PolarHBondContact N-O 2.52Å; C309-G341 CarbonylContact O-C 3.58Å; C309-G341 WeakPolarHBondContact O-CA 3.16Å; C309-C358 HydrophobicContact CB-CB 3.67Å; C309-C358 WeakPolarHBondContact CB-SG 3.43Å; C309-C358 WeakPolarHBondContact SG-CB 3.28Å; C309-C358 CovalentContact SG-SG 2.03Å; C309-C358 PolarHBondContact SG-SG 3.18Å
310K95.6Very high94.9Very high98 Ų9863.5 Ų63.543%0.42631%0.312SS..EExtended strand (participates in β ladder)trans-141.3131.2172.4-67-160.7169.5-151.90109.8T291 R292T291-K310 PolarHBondContact N-O 3.29Å; T291-K310 PolarHBondContact OG1-O 2.83Å; R292-K310 HydrophobicContact CB-CB 4.32Å; R292-K310 PolarHBondContact N-O 3.3Å; R292-K310 VanDerWaalsContact N-O 3.15Å; R292-K310 PolarHBondContact O-N 3.32Å
311A95.9Very high95.1Very high10 Ų1060.2 Ų60.28%0.08330%0.295CS..EExtended strand (participates in β ladder)trans-116.317417500000111.4L289 I290 P317 I319 S360L289-A311 CarbonylContact O-C 3.18Å; L289-A311 WeakPolarHBondContact O-CA 3.45Å; L289-A311 WeakPolarHBondContact O-CB 3.37Å; I290-A311 HydrophobicContact CG1-CB 4.16Å; A311-P317 HydrophobicContact CB-CG 3.68Å; A311-I319 HydrophobicContact CB-CD1 4.47Å; A311-S360 WeakPolarHBondContact CB-OG 3.46Å
312R95.9Very high95.3Very high183 Ų18359 Ų5969%0.69129%0.29SS*.EExtended strand (participates in β ladder)trans-137.1158.3166.8-70.9-177.7173.9-93.93.4108.1P288 L289 T291P288-R312 CarbonylContact C-O 3.5Å; P288-R312 WeakPolarHBondContact CA-O 3.29Å; L289-R312 PolarHBondContact N-O 2.67Å; L289-R312 PolarHBondContact O-N 2.9Å; T291-R312 HydrophobicContact CG2-CB 4.39Å; T291-R312 HydrophobicContact CG2-CG 4.17Å
313G96Very high95.5Very high21 Ų2157.4 Ų57.422%0.21627%0.272CS..EExtended strand (participates in β ladder)trans170.1174.2178.200000108.8P315 E316G313-P315 CarbonylContact C-O 3.6Å; G313-P315 VanDerWaalsContact C-O 3.25Å; G313-P315 CarbonylContact O-C 3.55Å; G313-P315 VanDerWaalsContact O-C 3.28Å; G313-E316 PolarHBondContact O-N 3.44Å
314D97.1Very high95.6Very high26 Ų2655.1 Ų55.114%0.13927%0.265CS..EExtended strand (participates in β ladder)trans-123.1112.8174.3-174.4-32.3000107.6H244 N246 C285 E286 N362H244-D314 IonicContact CE1-OD1 3.54Å; H244-D314 PolarHBondContact CE1-OD1 2.96Å; H244-D314 IonicContact CE1-OD2 3.99Å; H244-D314 PolarHBondContact CE1-OD2 3.02Å; H244-D314 IonicContact NE2-OD1 2.7Å; H244-D314 PolarHBondContact NE2-OD1 2.92Å; H244-D314 VanDerWaalsContact NE2-OD1 3.1Å; H244-D314 IonicContact NE2-OD2 3.52Å; N246-D314 WeakPolarHBondContact CB-OD1 3.46Å; N246-D314 PolarHBondContact ND2-OD1 3.04Å; C285-D314 CarbonylContact C-O 3.49Å; C285-D314 WeakPolarHBondContact CA-O 3.3Å; C285-D314 WeakPolarHBondContact CB-O 3.42Å; E286-D314 HydrophobicContact CB-CB 3.95Å; E286-D314 HydrophobicContact CG-CB 4.08Å; E286-D314 PolarHBondContact N-O 2.61Å; E286-D314 PolarHBondContact O-N 3.17Å; E286-D314 VanDerWaalsContact O-N 3.11Å; D314-N362 PolarHBondContact O-ND2 2.98Å
315P96.7Very high95.5Very high14 Ų1453.4 Ų53.49%0.09126%0.263CS..SBendcis-68.8168.1-6.233-39.4000112.4E248 G313 N362 P363E248-P315 HydrophobicContact CG-CG 4.23Å; E248-P315 WeakPolarHBondContact OE2-CB 3.28Å; E248-P315 WeakPolarHBondContact OE2-CG 3.49Å; G313-P315 CarbonylContact C-O 3.6Å; G313-P315 VanDerWaalsContact C-O 3.25Å; G313-P315 CarbonylContact O-C 3.55Å; G313-P315 VanDerWaalsContact O-C 3.28Å; P315-N362 HydrophobicContact CG-CB 4.17Å; P315-N362 PolarHBondContact O-ND2 3.2Å; P315-P363 HydrophobicContact CG-CG 4.24Å
316E94.9Very high95.3Very high172 Ų17256.1 Ų56.180%0.80429%0.291SS*.PPolyproline II helixtrans-57.7121178-172.3169.7-161.100110.5G313G313-E316 PolarHBondContact O-N 3.44Å
317P96.4Very high95.2Very high12 Ų1261 Ų618%0.07831%0.308CS..PPolyproline II helixtrans-80.1143-16431.6-38.4000113.2P288 A311 S360 S361 N362P288-P317 HydrophobicContact CB-CB 3.82Å; P288-P317 HydrophobicContact CB-CG 3.95Å; A311-P317 HydrophobicContact CB-CG 3.68Å; P317-S360 WeakPolarHBondContact CB-OG 3.3Å; P317-S360 VanDerWaalsContact CG-OG 3.29Å; P317-S360 WeakPolarHBondContact CG-OG 3.3Å; P317-S361 CarbonylContact C-O 3.6Å; P317-S361 WeakPolarHBondContact CA-O 3.42Å; P317-S361 WeakPolarHBondContact CB-O 3.37Å; P317-N362 HydrophobicContact CB-CB 3.99Å
318A95Very high95.1Very high48 Ų4866.6 Ų66.640%0.39734%0.337SS..EExtended strand (participates in β ladder)trans-61.7149.3170.800000110.3S360 S361A318-S360 CarbonylContact O-C 3.42Å; A318-S360 WeakPolarHBondContact O-CA 3.44Å; A318-S360 PolarHBondContact O-OG 2.96Å; A318-S361 PolarHBondContact N-O 2.92Å; A318-S361 PolarHBondContact O-N 3.11Å
319I95.7Very high95.1Very high31 Ų3160.1 Ų60.116%0.15932%0.315CS..EExtended strand (participates in β ladder)trans-123.4127.6178-65.4175.2000110C309 A311 I359C309-I319 HydrophobicContact CB-CG2 4.31Å; A311-I319 HydrophobicContact CB-CD1 4.47Å; I319-I359 WeakPolarHBondContact CA-O 3.34Å
320H95.4Very high94.9Very high88 Ų8863.9 Ų63.941%0.40734%0.341SS..EExtended strand (participates in β ladder)trans-130.1154.9-179.4-62.5-45.2000110.2L328 I359H320-L328 HydrophobicContact CB-CD1 3.93Å; H320-I359 PolarHBondContact N-O 3.13Å; H320-I359 PolarHBondContact O-N 3.39Å
321W96.8Very high94.8Very high1 Ų164.3 Ų64.30%0.00435%0.349CS..EExtended strand (participates in β ladder)trans-123.5135.1-179.5-75.492.9000110.6L307 C309 V329 G341 L343 F356 T357 C358 V371L307-W321 HydrophobicContact CB-CH2 3.65Å; L307-W321 HydrophobicContact CB-CZ2 3.99Å; L307-W321 HydrophobicContact CB-CZ3 4.11Å; L307-W321 HydrophobicContact CD1-CZ3 4.27Å; L307-W321 WeakPolarHBondContact O-CZ2 3.49Å; C309-W321 HydrophobicContact CB-CH2 3.96Å; C309-W321 HydrophobicContact CB-CZ2 3.43Å; C309-W321 VanDerWaalsContact CB-CZ2 3.43Å; W321-V329 HydrophobicContact CB-CB 4.08Å; W321-V329 HydrophobicContact CB-CG2 4.28Å; W321-V329 PolarHBondContact O-N 2.93Å; W321-G341 PolarHBondContact NE1-O 2.88Å; W321-L343 HydrophobicContact CB-CD2 3.85Å; W321-L343 HydrophobicContact CD2-CB 3.99Å; W321-L343 HydrophobicContact CD2-CD2 3.95Å; W321-L343 HydrophobicContact CE3-CD2 4.27Å; W321-L343 HydrophobicContact CG-CB 3.91Å; W321-L343 HydrophobicContact CG-CD2 3.79Å; W321-L343 HydrophobicContact CG-CG 4.49Å; W321-L343 HydrophobicContact CZ2-CB 4.39Å; W321-F356 HydrophobicContact CE3-CB 4.11Å; W321-F356 HydrophobicContact CZ3-CB 4.11Å; W321-T357 CarbonylContact C-O 3.17Å; W321-T357 WeakPolarHBondContact CA-O 3.14Å; W321-C358 HydrophobicContact CD2-CB 4.37Å; W321-C358 HydrophobicContact CE3-CB 4.12Å; W321-C358 HydrophobicContact CH2-CB 4Å; W321-C358 HydrophobicContact CZ2-CB 4.24Å; W321-C358 HydrophobicContact CZ3-CB 3.93Å; W321-V371 HydrophobicContact CH2-CG2 4.12Å; W321-V371 HydrophobicContact CZ3-CG2 4.08Å
322I96.7Very high94.7Very high47 Ų4766.5 Ų66.524%0.24136%0.363CS..EExtended strand (participates in β ladder)trans-109.8132.8171.3-64.2-170000109.2K327 F356 T357 I359I322-K327 CarbonylContact C-O 3.49Å; I322-K327 WeakPolarHBondContact CA-O 3.17Å; I322-F356 WeakPolarHBondContact O-CA 3.36Å; I322-T357 PolarHBondContact N-O 3.18Å; I322-T357 PolarHBondContact O-N 2.99Å; I322-I359 HydrophobicContact CD1-CD1 3.52Å; I322-I359 HydrophobicContact CD1-CG1 4.41Å; I322-I359 HydrophobicContact CG1-CD1 4.12Å
323S95.1Very high94.5Very high15 Ų1563.8 Ų63.811%0.10537%0.372CS..  trans-76.8165.9177.277.90000112.3E325 G326 K327S323-E325 VanDerWaalsContact CB-OE2 3.23Å; S323-E325 WeakPolarHBondContact CB-OE2 3.43Å; S323-E325 PolarHBondContact O-N 3.01Å; S323-E325 PolarHBondContact OG-OE2 2.98Å; S323-G326 PolarHBondContact O-N 3.03Å; S323-K327 PolarHBondContact N-O 3.09Å
324P93.6Very high94.3Very high45 Ų4566.4 Ų66.429%0.29238%0.376SS..THydrogen-bonded Turntrans-55.3-25.2176.7-27.336.4000114.7G326 F356P324-G326 VanDerWaalsContact C-N 3.28Å; P324-G326 PolarHBondContact O-N 2.81Å; P324-F356 HydrophobicContact CG-CD2 4.09Å; P324-F356 HydrophobicContact CG-CE2 3.88Å; P324-F356 HydrophobicContact CG-CZ 4.34Å
325E91.1Very high94.2Very high117 Ų11765.9 Ų65.955%0.54737%0.373SS..THydrogen-bonded Turntrans-86.712.6175.3-40.796135.700114.1S323S323-E325 VanDerWaalsContact CB-OE2 3.23Å; S323-E325 WeakPolarHBondContact CB-OE2 3.43Å; S323-E325 PolarHBondContact O-N 3.01Å; S323-E325 PolarHBondContact OG-OE2 2.98Å
326G91.5Very high94.1Very high58 Ų5867.6 Ų67.660%0.59838%0.381SS*.SBendtrans75.321.7176.300000114.9S323 P324S323-G326 PolarHBondContact O-N 3.03Å; P324-G326 VanDerWaalsContact C-N 3.28Å; P324-G326 PolarHBondContact O-N 2.81Å
327K93Very high94.1Very high138 Ų13861 Ų6160%0.635%0.353SS*.  trans-106.1140.4-177.3-64.8176.6-176.4171.70112I322 S323 V329I322-K327 CarbonylContact C-O 3.49Å; I322-K327 WeakPolarHBondContact CA-O 3.17Å; S323-K327 PolarHBondContact N-O 3.09Å; K327-V329 PolarHBondContact O-N 3.23Å
328L94.3Very high94Very high117 Ų11764.9 Ų64.961%0.61337%0.367SS*.BIsolated β-bridgetrans-61.2124.7170.1-176.168.5000110H320H320-L328 HydrophobicContact CB-CD1 3.93Å
329V94.1Very high93.7Very high21 Ų2169.3 Ų69.313%0.12739%0.394CS..  trans-84.9129.6176.7-175.80000109.2W321 K327 T335 V337 L343 F356W321-V329 HydrophobicContact CB-CB 4.08Å; W321-V329 HydrophobicContact CB-CG2 4.28Å; W321-V329 PolarHBondContact O-N 2.93Å; K327-V329 PolarHBondContact O-N 3.23Å; V329-T335 HydrophobicContact CG1-CG2 4.09Å; V329-V337 HydrophobicContact CG1-CG2 4.29Å; V329-L343 HydrophobicContact CB-CD2 4.44Å; V329-L343 HydrophobicContact CG1-CD1 3.76Å; V329-L343 HydrophobicContact CG1-CD2 4.08Å; V329-L343 HydrophobicContact CG2-CD2 4.4Å; V329-F356 HydrophobicContact CG2-CE1 4.37Å
330S92.4Very high93.4Very high79 Ų7971.5 Ų71.555%0.55241%0.407SS*.  trans-126.7175.6178.363.20000111.4S332 T335S330-S332 PolarHBondContact O-N 2.88Å; S330-T335 PolarHBondContact O-OG1 3.34Å
331N93.7Very high93.2Very high108 Ų10867.4 Ų67.458%0.57839%0.388SS*.  trans-68.4123.5176.6-69.3-11.3000110.5T335 V337N331-T335 WeakPolarHBondContact CA-O 3.27Å; N331-V337 PolarHBondContact OD1-N 2.94Å; N331-V337 PolarHBondContact OD1-O 3.01Å
332S92.6Very high93.1Very high56 Ų5668 Ų6839%0.39239%0.391SS..  trans-141.4-178.2-178.478.70000110.6S330 R334 T335S330-S332 PolarHBondContact O-N 2.88Å; S332-R334 PolarHBondContact O-N 2.67Å; S332-R334 VanDerWaalsContact O-N 3.12Å; S332-R334 PolarHBondContact OG-N 2.99Å; S332-R334 VanDerWaalsContact OG-N 3.1Å; S332-T335 PolarHBondContact N-O 3.41Å; S332-T335 PolarHBondContact OG-N 3.32Å; S332-T335 PolarHBondContact OG-OG1 3.1Å
333S91.5Very high93.1Very high125 Ų12565.7 Ų65.787%0.87438%0.38SS*.SBendtrans-64.6-8.8171.553.40000114.3
334R92.7Very high93.2Very high77 Ų7765.6 Ų65.629%0.29138%0.378SS..SBendtrans-126.8-20.5-175.8-161.4-178.970.893.1-2.5114.2S332 I345 L346 I347 D352S332-R334 PolarHBondContact O-N 2.67Å; S332-R334 VanDerWaalsContact O-N 3.12Å; S332-R334 PolarHBondContact OG-N 2.99Å; S332-R334 VanDerWaalsContact OG-N 3.1Å; R334-I345 HydrophobicContact CG-CG2 4.41Å; R334-I345 VanDerWaalsContact NH1-CG2 3.31Å; R334-I345 CarbonylContact O-C 3.15Å; R334-I345 WeakPolarHBondContact O-CA 3.25Å; R334-L346 PolarHBondContact O-N 3.2Å; R334-I347 HydrophobicContact CG-CB 4.49Å; R334-I347 PolarHBondContact NH1-O 2.74Å; R334-I347 VanDerWaalsContact NH1-O 3.09Å; R334-D352 IonicContact CZ-OD1 2.9Å; R334-D352 VanDerWaalsContact CZ-OD1 3.25Å; R334-D352 IonicContact CZ-OD2 3.25Å; R334-D352 IonicContact NH1-OD1 2.66Å; R334-D352 PolarHBondContact NH1-OD1 3.12Å; R334-D352 IonicContact NH1-OD2 3.83Å; R334-D352 PolarHBondContact NH1-OD2 2.86Å; R334-D352 IonicContact NH2-OD1 2.74Å; R334-D352 PolarHBondContact NH2-OD1 2.64Å; R334-D352 IonicContact NH2-OD2 2.67Å
335T94.1Very high93.3Very high14 Ų1463.5 Ų63.59%0.08636%0.364CS..EExtended strand (participates in β ladder)trans-128.3136-175.549.40000110.8V329 S330 N331 S332 L343 D344 I345V329-T335 HydrophobicContact CG1-CG2 4.09Å; S330-T335 PolarHBondContact O-OG1 3.34Å; N331-T335 WeakPolarHBondContact CA-O 3.27Å; S332-T335 PolarHBondContact N-O 3.41Å; S332-T335 PolarHBondContact OG-N 3.32Å; S332-T335 PolarHBondContact OG-OG1 3.1Å; T335-L343 HydrophobicContact CG2-CD1 4.39Å; T335-D344 CarbonylContact C-O 3.55Å; T335-D344 WeakPolarHBondContact CA-O 3.42Å; T335-I345 HydrophobicContact CG2-CG1 4.46Å; T335-I345 HydrophobicContact CG2-CG2 4.3Å
336L95.7Very high93.4Very high51 Ų5160.4 Ų60.427%0.26735%0.351SS..EExtended strand (participates in β ladder)trans-129.1120175.2-62177.2000109.5Y338 L343 D344 L346L336-Y338 HydrophobicContact CB-CE2 4.15Å; L336-L343 CarbonylContact O-C 3.08Å; L336-L343 WeakPolarHBondContact O-CA 3.48Å; L336-D344 HydrophobicContact CB-CB 4.41Å; L336-D344 PolarHBondContact N-O 2.89Å; L336-D344 PolarHBondContact O-N 3.1Å; L336-L346 HydrophobicContact CD1-CD1 4.22Å; L336-L346 HydrophobicContact CD1-CD2 4.09Å; L336-L346 HydrophobicContact CD1-CG 4.46Å; L336-L346 HydrophobicContact CG-CD1 4.35Å
337V94.9Very high93.5Very high34 Ų3462.2 Ų62.221%0.20635%0.346CS..EExtended strand (participates in β ladder)trans-101.1125.7170.8-1770000108.2V329 N331 T342 L343V329-V337 HydrophobicContact CG1-CG2 4.29Å; N331-V337 PolarHBondContact OD1-N 2.94Å; N331-V337 PolarHBondContact OD1-O 3.01Å; V337-T342 WeakPolarHBondContact CA-O 3.11Å; V337-L343 HydrophobicContact CG2-CD1 4.02Å
338Y93.6Very high93.5Very high93 Ų9355.7 Ų55.737%0.36532%0.318SS..  trans-100.6152.1-179.1-62.1-84.2000111.3L336 N340 G341 T342 D344L336-Y338 HydrophobicContact CB-CE2 4.15Å; Y338-N340 WeakPolarHBondContact CB-OD1 3.37Å; Y338-N340 PolarHBondContact O-N 3.12Å; Y338-G341 PolarHBondContact O-N 2.87Å; Y338-T342 HydrophobicContact CD2-CG2 4.42Å; Y338-T342 WeakPolarHBondContact CD2-O 3.21Å; Y338-T342 PolarHBondContact N-O 3.28Å; Y338-D344 HydrophobicContact CE2-CB 4Å
339S88.3Confident93.3Very high140 Ų14052.2 Ų52.298%0.97930%0.302SS*.THydrogen-bonded Turntrans-57-21.9173.851.80000113.9G341S339-G341 PolarHBondContact O-N 3.17Å
340N89.9Confident93.2Very high78 Ų7853.5 Ų53.542%0.41731%0.31SS..THydrogen-bonded Turntrans-80.97.8175.573.220.6000114.6Y338 T342Y338-N340 WeakPolarHBondContact CB-OD1 3.37Å; Y338-N340 PolarHBondContact O-N 3.12Å; N340-T342 WeakPolarHBondContact OD1-CB 3.45Å; N340-T342 PolarHBondContact OD1-N 3.44Å; N340-T342 PolarHBondContact OD1-OG1 3.01Å
341G91.8Very high93.1Very high1 Ų158.1 Ų58.11%0.0132%0.32CS..SBendtrans840.2178.900000116.2C309 W321 Y338 S339C309-G341 PolarHBondContact N-O 2.52Å; C309-G341 CarbonylContact O-C 3.58Å; C309-G341 WeakPolarHBondContact O-CA 3.16Å; W321-G341 PolarHBondContact NE1-O 2.88Å; Y338-G341 PolarHBondContact O-N 2.87Å; S339-G341 PolarHBondContact O-N 3.17Å
342T95.1Very high92.9Very high13 Ų1353.4 Ų53.48%0.0829%0.294CS..  trans-80.7141.4178.8-50.40000111.7S306 L307 R308 V337 Y338 N340S306-T342 WeakPolarHBondContact OG-CG2 3.45Å; L307-T342 CarbonylContact O-C 3.11Å; L307-T342 WeakPolarHBondContact O-CA 3.41Å; R308-T342 HydrophobicContact CG-CG2 3.98Å; V337-T342 WeakPolarHBondContact CA-O 3.11Å; Y338-T342 HydrophobicContact CD2-CG2 4.42Å; Y338-T342 WeakPolarHBondContact CD2-O 3.21Å; Y338-T342 PolarHBondContact N-O 3.28Å; N340-T342 WeakPolarHBondContact OD1-CB 3.45Å; N340-T342 PolarHBondContact OD1-N 3.44Å; N340-T342 PolarHBondContact OD1-OG1 3.01Å
343L96.4Very high93Very high0 Ų053.5 Ų53.50%029%0.293CS..EExtended strand (participates in β ladder)trans-113.3111.5167.9163.658.4000109.6L307 W321 V329 T335 L336 V337 I345 F356L307-L343 HydrophobicContact CB-CB 4.4Å; L307-L343 HydrophobicContact CD1-CD2 4.34Å; L307-L343 PolarHBondContact N-O 3.02Å; L307-L343 PolarHBondContact O-N 3.28Å; W321-L343 HydrophobicContact CB-CD2 3.85Å; W321-L343 HydrophobicContact CD2-CB 3.99Å; W321-L343 HydrophobicContact CD2-CD2 3.95Å; W321-L343 HydrophobicContact CE3-CD2 4.27Å; W321-L343 HydrophobicContact CG-CB 3.91Å; W321-L343 HydrophobicContact CG-CD2 3.79Å; W321-L343 HydrophobicContact CG-CG 4.49Å; W321-L343 HydrophobicContact CZ2-CB 4.39Å; V329-L343 HydrophobicContact CB-CD2 4.44Å; V329-L343 HydrophobicContact CG1-CD1 3.76Å; V329-L343 HydrophobicContact CG1-CD2 4.08Å; V329-L343 HydrophobicContact CG2-CD2 4.4Å; T335-L343 HydrophobicContact CG2-CD1 4.39Å; L336-L343 CarbonylContact O-C 3.08Å; L336-L343 WeakPolarHBondContact O-CA 3.48Å; V337-L343 HydrophobicContact CG2-CD1 4.02Å; L343-I345 HydrophobicContact CG-CG1 4.47Å; L343-F356 HydrophobicContact CD2-CD1 3.97Å; L343-F356 HydrophobicContact CD2-CE1 4.1Å
344D96.1Very high93.2Very high13 Ų1348.4 Ų48.47%0.0726%0.26CS..EExtended strand (participates in β ladder)trans-89.9130.1166.8-92.625.8000109.9R304 V305 S306 T335 L336 Y338R304-D344 WeakPolarHBondContact CD-OD2 3.12Å; R304-D344 IonicContact CZ-OD2 2.7Å; R304-D344 IonicContact NH1-OD2 3.48Å; R304-D344 PolarHBondContact NH1-OD2 3.25Å; V305-D344 CarbonylContact O-C 3.5Å; V305-D344 VanDerWaalsContact O-CA 3.31Å; V305-D344 WeakPolarHBondContact O-CA 3.34Å; S306-D344 WeakPolarHBondContact CB-OD1 3.46Å; S306-D344 PolarHBondContact OG-OD1 3.5Å; T335-D344 CarbonylContact C-O 3.55Å; T335-D344 WeakPolarHBondContact CA-O 3.42Å; L336-D344 HydrophobicContact CB-CB 4.41Å; L336-D344 PolarHBondContact N-O 2.89Å; L336-D344 PolarHBondContact O-N 3.1Å; Y338-D344 HydrophobicContact CE2-CB 4Å
345I96Very high93.3Very high0 Ų047.8 Ų47.80%027%0.268CS..EExtended strand (participates in β ladder)trans-103.9112163.4-42.8178.5000106.7R304 V305 R334 T335 L343 I347 F356 L373R304-I345 WeakPolarHBondContact CA-O 2.89Å; R304-I345 WeakPolarHBondContact CG-O 3.45Å; V305-I345 HydrophobicContact CB-CB 3.99Å; V305-I345 HydrophobicContact CB-CD1 4.36Å; V305-I345 HydrophobicContact CB-CG1 4.21Å; V305-I345 HydrophobicContact CG1-CD1 4.35Å; V305-I345 HydrophobicContact CG2-CB 4.4Å; V305-I345 PolarHBondContact N-O 2.98Å; V305-I345 PolarHBondContact O-N 3.02Å; R334-I345 HydrophobicContact CG-CG2 4.41Å; R334-I345 VanDerWaalsContact NH1-CG2 3.31Å; R334-I345 CarbonylContact O-C 3.15Å; R334-I345 WeakPolarHBondContact O-CA 3.25Å; T335-I345 HydrophobicContact CG2-CG1 4.46Å; T335-I345 HydrophobicContact CG2-CG2 4.3Å; L343-I345 HydrophobicContact CG-CG1 4.47Å; I345-I347 VanDerWaalsContact C-N 3.34Å; I345-I347 PolarHBondContact O-N 2.74Å; I345-F356 HydrophobicContact CD1-CE1 4.25Å; I345-F356 HydrophobicContact CD1-CE2 4.32Å; I345-F356 HydrophobicContact CD1-CZ 3.73Å; I345-L373 HydrophobicContact CD1-CD2 4Å
346L94.5Very high93.4Very high52 Ų5247.3 Ų47.327%0.27227%0.265SS..SBendtrans-69.3-32.2-170.4-62.8178.1000113.1R334 L336R334-L346 PolarHBondContact O-N 3.2Å; L336-L346 HydrophobicContact CD1-CD1 4.22Å; L336-L346 HydrophobicContact CD1-CD2 4.09Å; L336-L346 HydrophobicContact CD1-CG 4.46Å; L336-L346 HydrophobicContact CG-CD1 4.35Å
347I92.1Very high93.5Very high97 Ų9746.4 Ų46.450%0.49726%0.261SS..SBendtrans-138.6110176.8-53.5177.8000107.1R334 I345R334-I347 HydrophobicContact CG-CB 4.49Å; R334-I347 PolarHBondContact NH1-O 2.74Å; R334-I347 VanDerWaalsContact NH1-O 3.09Å; I345-I347 VanDerWaalsContact C-N 3.34Å; I345-I347 PolarHBondContact O-N 2.74Å
348S92.8Very high93.6Very high1 Ų144.8 Ų44.81%0.00725%0.251CS..  trans-68.4144.4172.464.80000111.4L300 E301 G302 Q303L300-S348 PolarHBondContact O-OG 3.28Å; E301-S348 WeakPolarHBondContact CA-OG 3.06Å; G302-S348 PolarHBondContact N-O 3.21Å; G302-S348 PolarHBondContact N-OG 2.88Å; Q303-S348 PolarHBondContact N-OG 3.3Å; Q303-S348 WeakPolarHBondContact O-CB 3.12Å; Q303-S348 PolarHBondContact O-N 3.03Å; Q303-S348 PolarHBondContact O-OG 2.8Å
349T91.8Very high93.7Very high44 Ų4441.6 Ų41.627%0.2724%0.24SC..  trans-133.6155.9171.370.10000108.6E301 K351 D352E301-T349 WeakPolarHBondContact OE1-CA 3.25Å; T349-K351 PolarHBondContact O-N 2.77Å; T349-D352 WeakPolarHBondContact CA-OD2 3.46Å; T349-D352 WeakPolarHBondContact CB-OD2 3.4Å; T349-D352 PolarHBondContact N-OD2 3.26Å; T349-D352 WeakPolarHBondContact O-CB 3.38Å; T349-D352 PolarHBondContact O-N 3.44Å; T349-D352 PolarHBondContact OG1-OD2 3.23Å
350V90.7Very high94.1Very high48 Ų4835 Ų3529%0.29119%0.194SC..G310 helixtrans-60.8-21.3-179.4169.10000113.3E301 D352 T353 I375 K377E301-V350 VanDerWaalsContact CD-CG2 3.47Å; E301-V350 HydrophobicContact CG-CG2 4.45Å; E301-V350 VanDerWaalsContact OE1-CG2 3.24Å; E301-V350 WeakPolarHBondContact OE1-CG2 3.16Å; E301-V350 PolarHBondContact OE1-N 3.38Å; V350-D352 PolarHBondContact O-N 3.05Å; V350-T353 VanDerWaalsContact O-CB 3.27Å; V350-T353 WeakPolarHBondContact O-CB 3.43Å; V350-T353 PolarHBondContact O-N 2.79Å; V350-T353 VanDerWaalsContact O-N 3.17Å; V350-T353 PolarHBondContact O-OG1 3.06Å; V350-I375 HydrophobicContact CG2-CG2 4.13Å; V350-K377 HydrophobicContact CG2-CD 4.1Å; V350-K377 VanDerWaalsContact CG2-CE 3.47Å; V350-K377 HydrophobicContact CG2-CG 3.4Å
351K90Very high94.5Very high175 Ų17532.4 Ų32.476%0.76118%0.182SC*.G310 helixtrans-65.5-22.8172.4-65.2-175.4178.3-178.60113.8T349 T353T349-K351 PolarHBondContact O-N 2.77Å; K351-T353 PolarHBondContact O-N 2.81Å
352D91.1Very high94.7Very high9 Ų933.4 Ų33.45%0.04819%0.187CC..G310 helixtrans-77.10175.2-54.6-74.6000112.7R334 T349 V350 G354 F356 L373 I375R334-D352 IonicContact CZ-OD1 2.9Å; R334-D352 VanDerWaalsContact CZ-OD1 3.25Å; R334-D352 IonicContact CZ-OD2 3.25Å; R334-D352 IonicContact NH1-OD1 2.66Å; R334-D352 PolarHBondContact NH1-OD1 3.12Å; R334-D352 IonicContact NH1-OD2 3.83Å; R334-D352 PolarHBondContact NH1-OD2 2.86Å; R334-D352 IonicContact NH2-OD1 2.74Å; R334-D352 PolarHBondContact NH2-OD1 2.64Å; R334-D352 IonicContact NH2-OD2 2.67Å; T349-D352 WeakPolarHBondContact CA-OD2 3.46Å; T349-D352 WeakPolarHBondContact CB-OD2 3.4Å; T349-D352 PolarHBondContact N-OD2 3.26Å; T349-D352 WeakPolarHBondContact O-CB 3.38Å; T349-D352 PolarHBondContact O-N 3.44Å; T349-D352 PolarHBondContact OG1-OD2 3.23Å; V350-D352 PolarHBondContact O-N 3.05Å; D352-G354 PolarHBondContact O-N 2.9Å; D352-F356 WeakPolarHBondContact O-CE2 3.43Å; D352-L373 HydrophobicContact CB-CD2 4.23Å; D352-I375 HydrophobicContact CB-CG1 4.22Å
353T94.4Very high94.8Very high58 Ų5836.7 Ų36.736%0.35621%0.209SC..  trans-70.1120.6176.7-58.30000110.7V350 K351 L373 I375V350-T353 VanDerWaalsContact O-CB 3.27Å; V350-T353 WeakPolarHBondContact O-CB 3.43Å; V350-T353 PolarHBondContact O-N 2.79Å; V350-T353 VanDerWaalsContact O-N 3.17Å; V350-T353 PolarHBondContact O-OG1 3.06Å; K351-T353 PolarHBondContact O-N 2.81Å; T353-L373 CarbonylContact C-O 3.58Å; T353-L373 VanDerWaalsContact CA-O 3.32Å; T353-L373 WeakPolarHBondContact CA-O 3.32Å; T353-I375 PolarHBondContact OG1-N 3.26Å
354G94.8Very high94.7Very high19 Ų1938.8 Ų38.820%0.19623%0.226CC..EExtended strand (participates in β ladder)trans149.2-167.7175.600000113.6D352 F356 L373D352-G354 PolarHBondContact O-N 2.9Å; G354-F356 PolarHBondContact O-N 3.33Å; G354-L373 PolarHBondContact N-O 2.94Å; G354-L373 PolarHBondContact O-N 3.24Å
355S95.8Very high94.8Very high64 Ų6439.4 Ų39.445%0.44824%0.236SC..EExtended strand (participates in β ladder)trans-85.1108.2-179.956.90000112V371S355-V371 WeakPolarHBondContact CA-O 3.11Å
356F96.8Very high94.8Very high4 Ų445.2 Ų45.22%0.01826%0.263CS..EExtended strand (participates in β ladder)trans-76.6143.6161.2-75.8-98.7000109.3L307 W321 I322 P324 V329 L343 I345 D352 G354 T370 V371 L373L307-F356 HydrophobicContact CD1-CB 3.87Å; L307-F356 HydrophobicContact CD1-CD1 4.04Å; L307-F356 HydrophobicContact CD1-CD2 3.83Å; L307-F356 HydrophobicContact CD1-CE2 4.41Å; L307-F356 HydrophobicContact CD1-CG 3.62Å; W321-F356 HydrophobicContact CE3-CB 4.11Å; W321-F356 HydrophobicContact CZ3-CB 4.11Å; I322-F356 WeakPolarHBondContact O-CA 3.36Å; P324-F356 HydrophobicContact CG-CD2 4.09Å; P324-F356 HydrophobicContact CG-CE2 3.88Å; P324-F356 HydrophobicContact CG-CZ 4.34Å; V329-F356 HydrophobicContact CG2-CE1 4.37Å; L343-F356 HydrophobicContact CD2-CD1 3.97Å; L343-F356 HydrophobicContact CD2-CE1 4.1Å; I345-F356 HydrophobicContact CD1-CE1 4.25Å; I345-F356 HydrophobicContact CD1-CE2 4.32Å; I345-F356 HydrophobicContact CD1-CZ 3.73Å; D352-F356 WeakPolarHBondContact O-CE2 3.43Å; G354-F356 PolarHBondContact O-N 3.33Å; F356-T370 CarbonylContact O-C 3.58Å; F356-T370 WeakPolarHBondContact O-CA 3.29Å; F356-V371 PolarHBondContact N-O 3.05Å; F356-V371 PolarHBondContact O-N 3.48Å; F356-L373 HydrophobicContact CD2-CB 4.1Å; F356-L373 HydrophobicContact CD2-CD2 4.28Å; F356-L373 HydrophobicContact CE2-CB 4.19Å; F356-L373 HydrophobicContact CE2-CD2 3.69Å; F356-L373 HydrophobicContact CZ-CD2 4.45Å
357T96.8Very high94.9Very high32 Ų3243.8 Ų43.820%0.19626%0.259CS..EExtended strand (participates in β ladder)trans-116.8117.3174.6-52.40000109.4W321 I322 I359 H368 T370W321-T357 CarbonylContact C-O 3.17Å; W321-T357 WeakPolarHBondContact CA-O 3.14Å; I322-T357 PolarHBondContact N-O 3.18Å; I322-T357 PolarHBondContact O-N 2.99Å; T357-I359 HydrophobicContact CG2-CG1 4.24Å; T357-H368 HydrophobicContact CG2-CB 4.17Å; T357-T370 HydrophobicContact CG2-CG2 4.33Å
358C96.7Very high95.1Very high0 Ų044.2 Ų44.20%026%0.258CS..EExtended strand (participates in β ladder)trans-73.7128.8161.7176.90000108.2C309 W321 H368 Q369C309-C358 HydrophobicContact CB-CB 3.67Å; C309-C358 WeakPolarHBondContact CB-SG 3.43Å; C309-C358 WeakPolarHBondContact SG-CB 3.28Å; C309-C358 CovalentContact SG-SG 2.03Å; C309-C358 PolarHBondContact SG-SG 3.18Å; W321-C358 HydrophobicContact CD2-CB 4.37Å; W321-C358 HydrophobicContact CE3-CB 4.12Å; W321-C358 HydrophobicContact CH2-CB 4Å; W321-C358 HydrophobicContact CZ2-CB 4.24Å; W321-C358 HydrophobicContact CZ3-CB 3.93Å; C358-H368 CarbonylContact O-C 3.59Å; C358-H368 WeakPolarHBondContact O-CA 3.13Å; C358-Q369 PolarHBondContact N-O 3.38Å; C358-Q369 PolarHBondContact O-N 2.87Å
359I96.6Very high95.3Very high26 Ų2647.1 Ų47.113%0.13327%0.272CS..EExtended strand (participates in β ladder)trans-111.7131.7166.8-56.4-166.8000107.1I319 H320 I322 T357 H368I319-I359 WeakPolarHBondContact CA-O 3.34Å; H320-I359 PolarHBondContact N-O 3.13Å; H320-I359 PolarHBondContact O-N 3.39Å; I322-I359 HydrophobicContact CD1-CD1 3.52Å; I322-I359 HydrophobicContact CD1-CG1 4.41Å; I322-I359 HydrophobicContact CG1-CD1 4.12Å; T357-I359 HydrophobicContact CG2-CG1 4.24Å; I359-H368 WeakPolarHBondContact CG1-ND1 3.34Å
360S97Very high95.5Very high0 Ų049 Ų490%028%0.284CS..EExtended strand (participates in β ladder)trans-120.8130.3170.8-169.20000109.4P288 A311 P317 A318 E366 A367P288-S360 WeakPolarHBondContact CG-O 3.49Å; A311-S360 WeakPolarHBondContact CB-OG 3.46Å; P317-S360 WeakPolarHBondContact CB-OG 3.3Å; P317-S360 VanDerWaalsContact CG-OG 3.29Å; P317-S360 WeakPolarHBondContact CG-OG 3.3Å; A318-S360 CarbonylContact O-C 3.42Å; A318-S360 WeakPolarHBondContact O-CA 3.44Å; A318-S360 PolarHBondContact O-OG 2.96Å; S360-E366 CarbonylContact O-C 3.5Å; S360-E366 WeakPolarHBondContact O-CA 3.22Å; S360-A367 PolarHBondContact N-O 3.03Å; S360-A367 PolarHBondContact O-N 3.24Å
361S96.6Very high95.7Very high24 Ų2446.9 Ų46.917%0.16827%0.27CS..EExtended strand (participates in β ladder)trans-139.2143-17154.90000113.1P317 A318 G365P317-S361 CarbonylContact C-O 3.6Å; P317-S361 WeakPolarHBondContact CA-O 3.42Å; P317-S361 WeakPolarHBondContact CB-O 3.37Å; A318-S361 PolarHBondContact N-O 2.92Å; A318-S361 PolarHBondContact O-N 3.11Å; S361-G365 WeakPolarHBondContact CA-O 3.35Å
362N96.8Very high96Very high22 Ų2243.9 Ų43.912%0.11826%0.259CS..EExtended strand (participates in β ladder)trans-148.2177169.278.75.6000110.2E286 P288 D314 P315 P317 A364 G365E286-N362 PolarHBondContact O-ND2 3.23Å; P288-N362 WeakPolarHBondContact CD-OD1 3.41Å; D314-N362 PolarHBondContact O-ND2 2.98Å; P315-N362 HydrophobicContact CG-CB 4.17Å; P315-N362 PolarHBondContact O-ND2 3.2Å; P317-N362 HydrophobicContact CB-CB 3.99Å; N362-A364 PolarHBondContact O-N 2.67Å; N362-A364 WeakPolarHBondContact OD1-CB 3.46Å; N362-A364 PolarHBondContact OD1-N 2.92Å; N362-G365 PolarHBondContact N-O 2.84Å; N362-G365 PolarHBondContact O-N 3.21Å; N362-G365 PolarHBondContact OD1-N 2.83Å
363P96.1Very high96.2Very high83 Ų8343.4 Ų43.454%0.53926%0.257SS..THydrogen-bonded Turntrans-57.4-17.8179.8-29.838.3000116.6E248 P315E248-P363 HydrophobicContact CG-CG 4.12Å; P315-P363 HydrophobicContact CG-CG 4.24Å
364A96.3Very high96.2Very high43 Ų4342.5 Ų42.536%0.35525%0.251SS..THydrogen-bonded Turntrans-89.9-15.6175.100000114C285 P287 N362C285-A364 HydrophobicContact CB-CB 3.73Å; P287-A364 HydrophobicContact CB-CB 4.15Å; N362-A364 PolarHBondContact O-N 2.67Å; N362-A364 WeakPolarHBondContact OD1-CB 3.46Å; N362-A364 PolarHBondContact OD1-N 2.92Å
365G96.2Very high96.2Very high27 Ų2742 Ų4228%0.27824%0.244SC..EExtended strand (participates in β ladder)trans157.8-167.2173.500000115.1P288 S361 N362P288-G365 VanDerWaalsContact CD-O 3.29Å; P288-G365 WeakPolarHBondContact CD-O 3.36Å; P288-G365 WeakPolarHBondContact CG-O 3.42Å; S361-G365 WeakPolarHBondContact CA-O 3.35Å; N362-G365 PolarHBondContact N-O 2.84Å; N362-G365 PolarHBondContact O-N 3.21Å; N362-G365 PolarHBondContact OD1-N 2.83Å
366E97Very high96Very high122 Ų12242.8 Ų42.857%0.5724%0.242SC*.EExtended strand (participates in β ladder)trans-125.2148.4176.7-53-160.7150.500111.3S360 H368S360-E366 CarbonylContact O-C 3.5Å; S360-E366 WeakPolarHBondContact O-CA 3.22Å; E366-H368 IonicContact OE2-CE1 2.69Å; E366-H368 PolarHBondContact OE2-CE1 3.11Å
367A96.9Very high95.5Very high22 Ų2249.1 Ų49.118%0.18227%0.269CS..EExtended strand (participates in β ladder)trans-130.6143.3171.300000109.7P288 I290 S360P288-A367 HydrophobicContact CB-CB 4.18Å; P288-A367 HydrophobicContact CG-CB 3.95Å; P288-A367 VanDerWaalsContact O-CB 3.22Å; P288-A367 WeakPolarHBondContact O-CB 3.4Å; I290-A367 HydrophobicContact CD1-CB 4.27Å; I290-A367 HydrophobicContact CG1-CB 4.27Å; S360-A367 PolarHBondContact N-O 3.03Å; S360-A367 PolarHBondContact O-N 3.24Å
368H96.4Very high94.4Very high105 Ų10552.4 Ų52.449%0.48629%0.285SS..EExtended strand (participates in β ladder)trans-128.7137.3-174.3-42.8-85.3000109.8T357 C358 I359 E366T357-H368 HydrophobicContact CG2-CB 4.17Å; C358-H368 CarbonylContact O-C 3.59Å; C358-H368 WeakPolarHBondContact O-CA 3.13Å; I359-H368 WeakPolarHBondContact CG1-ND1 3.34Å; E366-H368 IonicContact OE2-CE1 2.69Å; E366-H368 PolarHBondContact OE2-CE1 3.11Å
369Q96.2Very high93.1Very high62 Ų6258 Ų5829%0.2932%0.322SS..EExtended strand (participates in β ladder)trans-137.1127.3174.5-175.662.717.500110.1I290 F293 C358I290-Q369 HydrophobicContact CD1-CB 3.61Å; I290-Q369 HydrophobicContact CG2-CB 4.15Å; F293-Q369 HydrophobicContact CB-CG 4.06Å; F293-Q369 HydrophobicContact CD1-CG 3.85Å; F293-Q369 HydrophobicContact CD2-CG 3.82Å; F293-Q369 HydrophobicContact CE1-CG 4.26Å; F293-Q369 HydrophobicContact CE2-CG 4.24Å; F293-Q369 VanDerWaalsContact CE2-NE2 3.25Å; F293-Q369 HydrophobicContact CG-CG 3.63Å; F293-Q369 HydrophobicContact CZ-CG 4.45Å; C358-Q369 PolarHBondContact N-O 3.38Å; C358-Q369 PolarHBondContact O-N 2.87Å
370T95.6Very high91.1Very high85 Ų8565.6 Ų65.652%0.52136%0.356SS..EExtended strand (participates in β ladder)trans-87.3146.517844.40000112F356 T357F356-T370 CarbonylContact O-C 3.58Å; F356-T370 WeakPolarHBondContact O-CA 3.29Å; T357-T370 HydrophobicContact CG2-CG2 4.33Å
371V95.5Very high89Confident2 Ų271.9 Ų71.91%0.01239%0.394CS..EExtended strand (participates in β ladder)trans-134.7120.2177.1-1750000107.9S294 L307 W321 S355 F356S294-V371 VanDerWaalsContact O-CG1 3.31Å; S294-V371 WeakPolarHBondContact O-CG1 3.47Å; S294-V371 VanDerWaalsContact O-CG2 3.27Å; S294-V371 WeakPolarHBondContact O-CG2 3.04Å; L307-V371 HydrophobicContact CD2-CG1 4.03Å; W321-V371 HydrophobicContact CH2-CG2 4.12Å; W321-V371 HydrophobicContact CZ3-CG2 4.08Å; S355-V371 WeakPolarHBondContact CA-O 3.11Å; F356-V371 PolarHBondContact N-O 3.05Å; F356-V371 PolarHBondContact O-N 3.48Å
372E96Very high86.5Confident112 Ų11275.8 Ų75.852%0.52342%0.421SS..EExtended strand (participates in β ladder)trans-88.5123.3179.3-175165.1-170.600110.8E296 M297 V374E296-E372 WeakPolarHBondContact CA-O 3.19Å; E296-E372 HydrophobicContact CG-CB 4.19Å; E296-E372 HydrophobicContact CG-CG 4.36Å; M297-E372 PolarHBondContact N-O 3.33Å; E372-V374 HydrophobicContact CG-CG2 4.39Å
373L96Very high84.2Confident0 Ų081.7 Ų81.70%045%0.453CS..EExtended strand (participates in β ladder)trans-112.7126.4176.9-179.164.4000109.5M297 V299 V305 I345 D352 T353 G354 F356 I375M297-L373 HydrophobicContact CB-CD1 4.36Å; M297-L373 HydrophobicContact CE-CD1 4.23Å; M297-L373 WeakPolarHBondContact O-CA 3.15Å; V299-L373 HydrophobicContact CG2-CD1 4.13Å; V305-L373 HydrophobicContact CG1-CD1 3.69Å; V305-L373 HydrophobicContact CG1-CD2 3.82Å; V305-L373 HydrophobicContact CG1-CG 4.44Å; V305-L373 HydrophobicContact CG2-CD1 4.29Å; V305-L373 HydrophobicContact CG2-CD2 4.26Å; I345-L373 HydrophobicContact CD1-CD2 4Å; D352-L373 HydrophobicContact CB-CD2 4.23Å; T353-L373 CarbonylContact C-O 3.58Å; T353-L373 VanDerWaalsContact CA-O 3.32Å; T353-L373 WeakPolarHBondContact CA-O 3.32Å; G354-L373 PolarHBondContact N-O 2.94Å; G354-L373 PolarHBondContact O-N 3.24Å; F356-L373 HydrophobicContact CD2-CB 4.1Å; F356-L373 HydrophobicContact CD2-CD2 4.28Å; F356-L373 HydrophobicContact CE2-CB 4.19Å; F356-L373 HydrophobicContact CE2-CD2 3.69Å; F356-L373 HydrophobicContact CZ-CD2 4.45Å; L373-I375 HydrophobicContact CD1-CD1 3.88Å; L373-I375 HydrophobicContact CD2-CD1 4.01Å; L373-I375 HydrophobicContact CD2-CG1 4.49Å; L373-I375 HydrophobicContact CG-CD1 3.8Å; L373-I375 HydrophobicContact CG-CG1 4.34Å
374V95.2Very high81.5Confident38 Ų3885.2 Ų85.223%0.2347%0.467CS..EExtended strand (participates in β ladder)trans-118.1116.4176.7-1750000109.8M297 R298 V299 E372M297-V374 PolarHBondContact O-N 3.44Å; R298-V374 WeakPolarHBondContact CA-O 3.44Å; R298-V374 HydrophobicContact CG-CB 4.23Å; V299-V374 PolarHBondContact N-O 3.48Å; E372-V374 HydrophobicContact CG-CG2 4.39Å
375I94.4Very high79.2Confident10 Ų1088.6 Ų88.65%0.05148%0.484CS..EExtended strand (participates in β ladder)trans-97.1113.1178.6-55.7-51.9000110.4V299 E301 V305 V350 D352 T353 L373V299-I375 HydrophobicContact CB-CD1 3.98Å; V299-I375 CarbonylContact O-C 3.57Å; V299-I375 WeakPolarHBondContact O-CA 3.12Å; E301-I375 HydrophobicContact CB-CG2 3.86Å; E301-I375 HydrophobicContact CG-CG2 4.4Å; V305-I375 HydrophobicContact CG2-CD1 4.24Å; V350-I375 HydrophobicContact CG2-CG2 4.13Å; D352-I375 HydrophobicContact CB-CG1 4.22Å; T353-I375 PolarHBondContact OG1-N 3.26Å; L373-I375 HydrophobicContact CD1-CD1 3.88Å; L373-I375 HydrophobicContact CD2-CD1 4.01Å; L373-I375 HydrophobicContact CD2-CG1 4.49Å; L373-I375 HydrophobicContact CG-CD1 3.8Å; L373-I375 HydrophobicContact CG-CG1 4.34Å
376I90.9Very high76.6Confident80 Ų8095.1 Ų95.141%0.4151%0.512SS..EExtended strand (participates in β ladder)trans-88.4121.8-178.1-61172.2000109.1R298 V299 L300 E301R298-I376 HydrophobicContact CB-CD1 4.2Å; V299-I376 PolarHBondContact O-N 2.86Å; L300-I376 CarbonylContact C-O 3.13Å; L300-I376 WeakPolarHBondContact CA-O 3.11Å; L300-I376 HydrophobicContact CD2-CB 4.09Å; L300-I376 HydrophobicContact CD2-CG2 3.96Å; E301-I376 PolarHBondContact N-O 2.91Å
377K85.7Confident74.1Confident136 Ų13697 Ų9759%0.59153%0.526SS*.PPolyproline II helixtrans-66139.9172.5-71.8-171.9172.8179.10111.1V350V350-K377 HydrophobicContact CG2-CD 4.1Å; V350-K377 VanDerWaalsContact CG2-CE 3.47Å; V350-K377 HydrophobicContact CG2-CG 3.4Å
378L74.3Confident71.3Confident102 Ų102104.2 Ų104.253%0.53456%0.56SS.*PPolyproline II helixtrans-69137.2160.6-83.572.2000109.2L300 H380L300-L378 HydrophobicContact CB-CD1 3.87Å; L300-L378 HydrophobicContact CD1-CD1 4.31Å; L300-L378 HydrophobicContact CD2-CD1 4.15Å; L300-L378 HydrophobicContact CG-CD1 4.34Å; L378-H380 PolarHBondContact O-N 3.27Å
379P69.3Low68.5Low118 Ų118106.6 Ų106.677%0.76657%0.571SS**PPolyproline II helixtrans-69.5116.5172.528-32.7000110V381P379-V381 PolarHBondContact O-N 2.85Å; P379-V381 VanDerWaalsContact O-N 3.13Å
380H54.1Low65.8Low185 Ų185111.1 Ų111.186%0.85659%0.593SS**  trans-70.6105.4168.1-74-77.4000109.4L378 S382L378-H380 PolarHBondContact O-N 3.27Å; H380-S382 PolarHBondContact O-N 2.78Å
381V53.4Low63.6Low132 Ų132112.5 Ų112.580%0.860%0.603SS**  trans-65.3101.5171.6-179.50000108.9P379 N383P379-V381 PolarHBondContact O-N 2.85Å; P379-V381 VanDerWaalsContact O-N 3.13Å; V381-N383 PolarHBondContact O-N 3.36Å
382S44.4Very low60.6Low105 Ų105120.1 Ų120.173%0.73464%0.644SS**  trans-74.9115.5174.142.80000109.6H380 N384H380-S382 PolarHBondContact O-N 2.78Å; S382-N384 VanDerWaalsContact C-N 3.33Å; S382-N384 PolarHBondContact O-N 2.85Å
383N49.4Very low58Low146 Ų146120.2 Ų120.278%0.78165%0.654SS**  trans-79.178.8-171.1-151.717.5000111.5V381V381-N383 PolarHBondContact O-N 3.36Å
384N37.7Very low55.3Low157 Ų157123.5 Ų123.584%0.8469%0.687SS**  trans-12186.1175.3-108.94000109.8S382 N386S382-N384 VanDerWaalsContact C-N 3.33Å; S382-N384 PolarHBondContact O-N 2.85Å; N384-N386 PolarHBondContact O-N 2.89Å
385T48.6Very low52.4Low115 Ų115126.7 Ų126.771%0.70671%0.711SS**  trans-72.1114.8175.149.80000111.4
386N41.1Very low49.7Very low164 Ų164131.5 Ų131.588%0.87775%0.746SS**  trans-159.5136.3149.4-94.7-36.5000109.4N384N384-N386 PolarHBondContact O-N 2.89Å
387N44.3Very low47.1Very low160 Ų160134.3 Ų134.386%0.85676%0.762SS**  trans-84.8137.3-162.5-51.5-51.7000114
388I38.7Very low44.7Very low174 Ų174135 Ų13589%0.89277%0.77SS**  trans-137.2154.7141.9-63.6-170.4000107.7
389Q37.1Very low42.8Very low156 Ų156135.5 Ų135.573%0.72978%0.783SS**  trans-72157.6-163.1-158.176.433.100116.2
390E39.4Very low41.3Very low157 Ų157136.3 Ų136.373%0.73479%0.785SS**  trans-30.1173.4161.7-67173.5113.600119.5
391P51.1Low40.3Very low113 Ų113132.7 Ų132.773%0.73478%0.781SS**  cis-130.6165.68.340.6-25.9000116.9
392D31.6Very low39.3Very low163 Ų163133.5 Ų133.587%0.87279%0.786SS**  trans-163.9160.7142.8-112.6-19.7000111.9
393P41.3Very low39Very low114 Ų114140.5 Ų140.574%0.7480%0.797SS**  trans-98.2157.4-162.137.1-37.3000116.5
394G38.7Very low38.1Very low68 Ų68137.4 Ų137.470%0.70180%0.799SS**  trans76.433.9132.600000120.1S396G394-S396 PolarHBondContact O-N 3.11Å; G394-S396 PolarHBondContact O-OG 3.07Å
395S35.3Very low37.8Very low105 Ų105133.7 Ų133.773%0.73480%0.798SS**  trans-55.3132.5168.2172.40000111.5
396S38.3Very low37Very low111 Ų111133 Ų13378%0.77680%0.804SS**  trans-137.349.5-175.6-64.30000112.1G394G394-S396 PolarHBondContact O-N 3.11Å; G394-S396 PolarHBondContact O-OG 3.07Å
397D35.6Very low36.5Very low139 Ų139133.4 Ų133.474%0.74381%0.806SS**  trans-93.3109.1179.4-69.7-62.4000112.4
398I35.3Very low35.9Very low151 Ų151129.5 Ų129.577%0.77480%0.803SS**  trans-94.697.7166.7-63-179.8000108.9
399S34.9Very low35.5Very low113 Ų113126.8 Ų126.879%0.7980%0.8SS**  trans-84.1131.4168.2-71.50000111
400T36.3Very low35.3Very low134 Ų134127.1 Ų127.182%0.82281%0.807SS**  trans-80122.5177.541.90000112.2
401S33.9Very low34.9Very low110 Ų110126.4 Ų126.477%0.76981%0.813SS**  175.5147.612849.70000112.3
402T33.3Very low34Very low148 Ų148127.8 Ų127.891%0.90882%0.82SS**  trans-158.989.4158-5.70000109.2G404T402-G404 PolarHBondContact O-N 3.5Å
403R37.9Very low33.9Very low252 Ų252123.9 Ų123.995%0.95182%0.818SS**  trans-95.375.6176.1-161.8179.7-165-179.46.8109.9G405R403-G405 PolarHBondContact O-N 2.8Å
404G30.8Very low33.2Very low81 Ų81125.9 Ų125.984%0.83582%0.822SS**  trans-71.6108.7178.800000112T402T402-G404 PolarHBondContact O-N 3.5Å
405G30.2Very low33Very low79 Ų79127.7 Ų127.781%0.81482%0.82SS**  trans-100.2122.3167.800000110.8R403R403-G405 PolarHBondContact O-N 2.8Å
406A31.8Very low32.9Very low101 Ų101132.6 Ų132.684%0.83583%0.827SS**  trans-145.6128.4172.800000110.5
407N31.2Very low32.5Very low173 Ų173130.7 Ų130.793%0.92583%0.825SS**  trans-85.4132.2173.2-86.3-26.9000110.7
408G31.8Very low32.3Very low77 Ų77128.1 Ų128.179%0.79483%0.832SS**  trans51.1100.1142.700000119.8
409S30.3Very low32.5Very low117 Ų117127.3 Ų127.382%0.81883%0.833SS**  trans-141.8133.2137.558.50000110.2
410N31.9Very low33Very low164 Ų164128 Ų12888%0.87783%0.828SS**  trans-93.1119177.8-71.5-18000109.6
411V30.9Very low34Very low141 Ų141129.3 Ų129.386%0.85582%0.823SS**  trans-138.1130155.6-177.10000108.6
412T32Very low35.6Very low143 Ų143130.2 Ų130.288%0.87781%0.809SS**  trans-86.3135.5177.848.40000111.5
413G29.3Very low37.7Very low81 Ų81123.4 Ų123.484%0.83577%0.767SS**  trans-163145.9171.800000109.9
414D26.9Very low39.8Very low155 Ų155114.5 Ų114.583%0.82974%0.741SS**  trans-127.6165-162.6-166.612.1000112.8
415V34.2Very low42.2Very low107 Ų107112.2 Ų112.265%0.64871%0.711SS**SBendtrans77.7114.5165.1-169.60000118.8
416K34.9Very low44.4Very low207 Ų207110.7 Ų110.790%0.969%0.691SS**  trans49.2107.1153.9-69.7178.9173.4179.20119.8
417G29.1Very low46.6Very low71 Ų71110.9 Ų110.973%0.73267%0.674SS**  trans-162.285.7155.500000111.1V419G417-V419 PolarHBondContact O-N 3.28Å; G417-V419 VanDerWaalsContact O-N 3.16Å
418G31.2Very low49Very low85 Ų85104 Ų10488%0.87664%0.642SS**  trans-73.2103.2-177.600000112D420G418-D420 PolarHBondContact O-N 3.27Å
419V40.3Very low51.5Low134 Ų134106.9 Ų106.981%0.81263%0.629SS**  trans-83.5107.1168.7-178.80000108.2G417 K421G417-V419 PolarHBondContact O-N 3.28Å; G417-V419 VanDerWaalsContact O-N 3.16Å; V419-K421 PolarHBondContact O-N 3.29Å
420D45.5Very low54Low128 Ų128102.2 Ų102.268%0.68460%0.596SS**  trans-61105.7179.6-94.9-33000111.5G418 R422G418-D420 PolarHBondContact O-N 3.27Å; D420-R422 PolarHBondContact O-N 3.19Å; D420-R422 VanDerWaalsContact O-N 3.16Å
421K56.6Low56.4Low161 Ų16196.9 Ų96.970%0.757%0.572SS**  trans-68.5107.7164.2-72.3-173.8177.6-176.10107.5V419 V423 V424V419-K421 PolarHBondContact O-N 3.29Å; K421-V423 PolarHBondContact O-N 3.27Å; K421-V423 VanDerWaalsContact O-N 3.13Å; K421-V424 HydrophobicContact CB-CG2 3.89Å; K421-V424 WeakPolarHBondContact O-CG2 3.17Å
422R67.1Low59.1Low129 Ų12992 Ų9249%0.48754%0.542SS..SBendtrans-64.2-18-175.6-60.6-177.7-171.5167.65.6114.2D420 F437 N438D420-R422 PolarHBondContact O-N 3.19Å; D420-R422 VanDerWaalsContact O-N 3.16Å; R422-F437 CarbonylContact O-C 3.56Å; R422-F437 WeakPolarHBondContact O-CA 3.29Å; R422-F437 VanDerWaalsContact O-CB 3.28Å; R422-F437 WeakPolarHBondContact O-CB 3.4Å; R422-N438 PolarHBondContact O-N 3.21Å
423V77.3Confident61.8Low5 Ų585.3 Ų85.33%0.0350%0.501CS..EExtended strand (participates in β ladder)trans-128.4128.5172-175.20000107.6K421 I435 F437 V488 V505 V508K421-V423 PolarHBondContact O-N 3.27Å; K421-V423 VanDerWaalsContact O-N 3.13Å; V423-I435 HydrophobicContact CG1-CG2 3.57Å; V423-F437 HydrophobicContact CB-CB 4.41Å; V423-F437 HydrophobicContact CG1-CB 4.49Å; V423-F437 HydrophobicContact CG2-CB 3.95Å; V423-V488 HydrophobicContact CG1-CG2 3.86Å; V423-V488 HydrophobicContact CG2-CB 4.14Å; V423-V488 HydrophobicContact CG2-CG2 3.88Å; V423-V505 HydrophobicContact CG2-CG1 4.26Å; V423-V508 HydrophobicContact CG1-CB 4.15Å; V423-V508 HydrophobicContact CG1-CG1 3.74Å
424V81.6Confident64.6Low66 Ų6683.4 Ų83.440%0.447%0.472SS..EExtended strand (participates in β ladder)trans-139.7132.6-176.3-169.20000110.2K421 A426 K436K421-V424 HydrophobicContact CB-CG2 3.89Å; K421-V424 WeakPolarHBondContact O-CG2 3.17Å; V424-A426 PolarHBondContact O-N 3.23Å; V424-K436 PolarHBondContact N-O 2.98Å; V424-K436 PolarHBondContact O-N 3.04Å
425T82.4Confident67.6Low32 Ų3276 Ų7620%0.19643%0.432CS..EExtended strand (participates in β ladder)trans-75.3114.3165.5-50.60000108.6A428 A433 I435 F510T425-A428 HydrophobicContact CG2-CB 4.09Å; T425-A433 HydrophobicContact CG2-CB 4.41Å; T425-I435 HydrophobicContact CG2-CD1 4.12Å; T425-I435 WeakPolarHBondContact OG1-CD1 3.15Å; T425-F510 HydrophobicContact CG2-CB 4.15Å; T425-F510 HydrophobicContact CG2-CD2 4.35Å; T425-F510 HydrophobicContact CG2-CG 4.09Å
426A75.3Confident70Confident48 Ų4876 Ų7640%0.39742%0.423SS..EExtended strand (participates in β ladder)trans-84.6-39.8-177.300000112.6V424 L434 K436V424-A426 PolarHBondContact O-N 3.23Å; A426-L434 HydrophobicContact CB-CD2 4.25Å; A426-L434 HydrophobicContact CB-CG 4.35Å; A426-L434 PolarHBondContact N-O 3.24Å; A426-K436 HydrophobicContact CB-CD 3.82Å; A426-K436 HydrophobicContact CB-CG 3.93Å
427E77.9Confident72.3Confident104 Ų10466.6 Ų66.649%0.48638%0.383SS..EExtended strand (participates in β ladder)trans-142.1144.1171-76.6-178.6-142.300108.2R429 A433 L434E427-R429 IonicContact OE2-CZ 3.75Å; E427-R429 IonicContact OE2-NE 3.65Å; E427-R429 IonicContact OE2-NH2 2.95Å; E427-R429 PolarHBondContact OE2-NH2 2.8Å; E427-A433 CarbonylContact O-C 3.53Å; E427-A433 WeakPolarHBondContact O-CA 3.41Å; E427-L434 HydrophobicContact CB-CB 4.46Å; E427-L434 PolarHBondContact O-N 2.79Å
428A82Confident74.2Confident30 Ų3068.2 Ų68.225%0.24837%0.374CS..EExtended strand (participates in β ladder)trans-133.6136.1166.200000108.5T425 A433 F510T425-A428 HydrophobicContact CG2-CB 4.09Å; A428-A433 HydrophobicContact CB-CB 4.24Å; A428-F510 HydrophobicContact CB-CD2 4.24Å
429R83.9Confident75.9Confident137 Ų13766.4 Ų66.452%0.51734%0.342SS..  trans-117.7-166.6175.7-59.1-174.9-171.9-168.41.4108.4E427 T432 T512 E513E427-R429 IonicContact OE2-CZ 3.75Å; E427-R429 IonicContact OE2-NE 3.65Å; E427-R429 IonicContact OE2-NH2 2.95Å; E427-R429 PolarHBondContact OE2-NH2 2.8Å; R429-T432 PolarHBondContact N-O 2.96Å; R429-T512 WeakPolarHBondContact O-CA 3.36Å; R429-T512 VanDerWaalsContact O-CB 3.26Å; R429-T512 WeakPolarHBondContact O-CB 3.28Å; R429-E513 WeakPolarHBondContact CA-OE2 3.45Å; R429-E513 PolarHBondContact O-N 3.38Å; R429-E513 VanDerWaalsContact O-N 3.1Å
430S83.3Confident76.6Confident19 Ų1967.5 Ų67.513%0.13334%0.339CS..SBendtrans-63-41.4174.957.40000114.1A479 A480 T512 E513 E515S430-A479 CarbonylContact O-C 3.53Å; S430-A480 VanDerWaalsContact O-CA 3.26Å; S430-A480 WeakPolarHBondContact O-CA 3.43Å; S430-A480 PolarHBondContact O-N 2.79Å; S430-T512 WeakPolarHBondContact O-CB 3.46Å; S430-E513 WeakPolarHBondContact CA-O 3.3Å; S430-E515 WeakPolarHBondContact CB-OE2 3.06Å; S430-E515 PolarHBondContact OG-OE2 2.91Å
431S83.3Confident77.1Confident52 Ų5269.2 Ų69.236%0.36434%0.335SS..SBendtrans-123.6-1.6-169.352.70000114.9N477 L478S431-N477 PolarHBondContact O-N 3.09Å; S431-L478 WeakPolarHBondContact CA-O 3.28Å; S431-L478 PolarHBondContact O-N 3.17Å
432T87.9Confident76.9Confident39 Ų3969.6 Ų69.624%0.23935%0.345CS..EExtended strand (participates in β ladder)trans-142.2151.7-178.961.70000112.3R429 V475 N476R429-T432 PolarHBondContact N-O 2.96Å; T432-V475 CarbonylContact C-O 3.43Å; T432-V475 VanDerWaalsContact CA-O 3.23Å; T432-V475 WeakPolarHBondContact CA-O 3.36Å; T432-V475 WeakPolarHBondContact CB-O 3.37Å; T432-N476 HydrophobicContact CG2-CB 4.28Å
433A88.3Confident76.6Confident1 Ų165.3 Ų65.31%0.00833%0.331CS..EExtended strand (participates in β ladder)trans-144129.3173.200000111.3T425 E427 A428 V475 L478 F510T425-A433 HydrophobicContact CG2-CB 4.41Å; E427-A433 CarbonylContact O-C 3.53Å; E427-A433 WeakPolarHBondContact O-CA 3.41Å; A428-A433 HydrophobicContact CB-CB 4.24Å; A433-V475 PolarHBondContact N-O 3.43Å; A433-V475 PolarHBondContact O-N 3.04Å; A433-L478 HydrophobicContact CB-CD1 3.75Å; A433-F510 HydrophobicContact CB-CD2 4.09Å; A433-F510 HydrophobicContact CB-CE2 3.38Å; A433-F510 HydrophobicContact CB-CZ 3.69Å
434L87.5Confident75.8Confident41 Ų4169.3 Ų69.322%0.21536%0.358CS..EExtended strand (participates in β ladder)trans-93.3111178.2-179.464.7000109.6A426 E427 L474A426-L434 HydrophobicContact CB-CD2 4.25Å; A426-L434 HydrophobicContact CB-CG 4.35Å; A426-L434 PolarHBondContact N-O 3.24Å; E427-L434 HydrophobicContact CB-CB 4.46Å; E427-L434 PolarHBondContact O-N 2.79Å; L434-L474 HydrophobicContact CB-CD1 4.16Å; L434-L474 HydrophobicContact CD1-CB 4.43Å; L434-L474 HydrophobicContact CD1-CD1 4.47Å
435I89.7Confident75.1Confident0 Ų068.3 Ų68.30%036%0.361CS..EExtended strand (participates in β ladder)trans-94.7132175-49.8-57.2000108.8V423 T425 F437 N472 F473 V475 L486 V508 F510V423-I435 HydrophobicContact CG1-CG2 3.57Å; T425-I435 HydrophobicContact CG2-CD1 4.12Å; T425-I435 WeakPolarHBondContact OG1-CD1 3.15Å; I435-F437 HydrophobicContact CG2-CD1 4.48Å; I435-N472 CarbonylContact O-C 3.58Å; I435-N472 WeakPolarHBondContact O-CA 3.41Å; I435-N472 WeakPolarHBondContact O-CB 3.06Å; I435-F473 PolarHBondContact N-O 2.97Å; I435-F473 PolarHBondContact O-N 3.32Å; I435-V475 HydrophobicContact CG1-CG2 4.02Å; I435-L486 HydrophobicContact CD1-CD1 4.17Å; I435-L486 HydrophobicContact CD1-CD2 4.5Å; I435-L486 HydrophobicContact CG1-CD1 3.84Å; I435-L486 HydrophobicContact CG1-CD2 4.19Å; I435-L486 HydrophobicContact CG2-CD2 4.16Å; I435-V508 HydrophobicContact CD1-CG1 4.2Å; I435-F510 HydrophobicContact CD1-CD1 4.36Å; I435-F510 HydrophobicContact CD1-CE1 4.03Å
436K84Confident74.7Confident107 Ų10768.7 Ų68.747%0.46536%0.362SS..EExtended strand (participates in β ladder)trans-115.6140.2169.4-62.4-173.6179.8178.80108.8V424 A426 N472V424-K436 PolarHBondContact N-O 2.98Å; V424-K436 PolarHBondContact O-N 3.04Å; A426-K436 HydrophobicContact CB-CD 3.82Å; A426-K436 HydrophobicContact CB-CG 3.93Å; K436-N472 HydrophobicContact CB-CB 4.47Å; K436-N472 HydrophobicContact CG-CB 3.93Å
437F83.6Confident74.7Confident10 Ų1072.8 Ų72.84%0.04437%0.367CS..EExtended strand (participates in β ladder)trans-141.3133.8176.854.5-89000111.3R422 V423 I435 F449 I451 S470 E471 V488R422-F437 CarbonylContact O-C 3.56Å; R422-F437 WeakPolarHBondContact O-CA 3.29Å; R422-F437 VanDerWaalsContact O-CB 3.28Å; R422-F437 WeakPolarHBondContact O-CB 3.4Å; V423-F437 HydrophobicContact CB-CB 4.41Å; V423-F437 HydrophobicContact CG1-CB 4.49Å; V423-F437 HydrophobicContact CG2-CB 3.95Å; I435-F437 HydrophobicContact CG2-CD1 4.48Å; F437-F449 HydrophobicContact CE2-CD1 4.34Å; F437-F449 HydrophobicContact CE2-CD2 4.05Å; F437-F449 HydrophobicContact CE2-CE1 4.33Å; F437-F449 HydrophobicContact CE2-CE2 4.03Å; F437-F449 HydrophobicContact CE2-CG 4.21Å; F437-F449 HydrophobicContact CE2-CZ 4.18Å; F437-F449 HydrophobicContact CZ-CD2 4.31Å; F437-F449 HydrophobicContact CZ-CG 4.46Å; F437-I451 HydrophobicContact CE1-CD1 4.45Å; F437-S470 WeakPolarHBondContact CE2-O 3.43Å; F437-S470 WeakPolarHBondContact CZ-O 3.21Å; F437-E471 PolarHBondContact N-O 3.01Å; F437-E471 VanDerWaalsContact O-O 3.1Å; F437-V488 HydrophobicContact CD1-CG1 4.49Å; F437-V488 HydrophobicContact CD1-CG2 4.28Å; F437-V488 HydrophobicContact CD2-CG1 4.33Å; F437-V488 HydrophobicContact CE1-CG1 4.48Å; F437-V488 HydrophobicContact CE2-CG1 4.31Å; F437-V488 HydrophobicContact CG-CG1 4.43Å; F437-V488 HydrophobicContact CZ-CG1 4.38Å
438N69.4Low75Confident105 Ų10570.9 Ų70.956%0.56136%0.358SS*.  trans-115.5123.1-177.1-172.5-17.1000109.4R422R422-N438 PolarHBondContact O-N 3.21Å
439F65.9Low75.2Confident46 Ų4669.8 Ų69.820%0.20235%0.348CS..  trans-116.581.1-171.3-164.9-112.5000112.5R441 I443 I446 V505F439-R441 VanDerWaalsContact CD1-O 3.29Å; F439-R441 WeakPolarHBondContact CD1-O 3.48Å; F439-R441 HydrophobicContact CE1-CB 4.13Å; F439-R441 WeakPolarHBondContact CE1-O 3.44Å; F439-R441 HydrophobicContact CE2-CB 4.36Å; F439-R441 HydrophobicContact CZ-CB 3.9Å; F439-R441 PolarHBondContact O-N 3.06Å; F439-R441 VanDerWaalsContact O-N 3.15Å; F439-I443 HydrophobicContact CE1-CB 4.23Å; F439-I443 HydrophobicContact CE1-CD1 4.02Å; F439-I443 HydrophobicContact CE1-CG1 3.93Å; F439-I443 HydrophobicContact CZ-CD1 3.6Å; F439-I443 HydrophobicContact CZ-CG1 3.89Å; F439-I446 HydrophobicContact CD1-CD1 3.99Å; F439-I446 HydrophobicContact CE1-CD1 3.79Å; F439-V505 HydrophobicContact CD2-CB 4.5Å; F439-V505 HydrophobicContact CD2-CG1 3.85Å; F439-V505 HydrophobicContact CD2-CG2 4.08Å; F439-V505 HydrophobicContact CE2-CG1 4.41Å; F439-V505 HydrophobicContact CE2-CG2 4.04Å
440Q55.1Low75.4Confident157 Ų15764.9 Ų64.973%0.73433%0.331SS*.  trans-74.89-178.6-69.1-178.8-23.700115.7
441R56.6Low75.6Confident164 Ų16464 Ų6462%0.61933%0.325SS*.SBendtrans-101.9120.3173.9-78.7-173171.6-173.5-4.1109.3F439 I443F439-R441 VanDerWaalsContact CD1-O 3.29Å; F439-R441 WeakPolarHBondContact CD1-O 3.48Å; F439-R441 HydrophobicContact CE1-CB 4.13Å; F439-R441 WeakPolarHBondContact CE1-O 3.44Å; F439-R441 HydrophobicContact CE2-CB 4.36Å; F439-R441 HydrophobicContact CZ-CB 3.9Å; F439-R441 PolarHBondContact O-N 3.06Å; F439-R441 VanDerWaalsContact O-N 3.15Å; R441-I443 VanDerWaalsContact C-N 3.26Å; R441-I443 PolarHBondContact O-N 2.91Å
442N53.7Low75.9Confident169 Ų16964 Ų6490%0.90432%0.319SS*.  trans-69.285.6167.1-76.11.8000109.7P444N442-P444 WeakPolarHBondContact O-CD 3.42Å
443I60.5Low75.9Confident39 Ų3962.9 Ų62.920%0.231%0.311CS..  trans-78.4115.6157.5-66.4-174.9000106.5F439 R441 I446 Y492F439-I443 HydrophobicContact CE1-CB 4.23Å; F439-I443 HydrophobicContact CE1-CD1 4.02Å; F439-I443 HydrophobicContact CE1-CG1 3.93Å; F439-I443 HydrophobicContact CZ-CD1 3.6Å; F439-I443 HydrophobicContact CZ-CG1 3.89Å; R441-I443 VanDerWaalsContact C-N 3.26Å; R441-I443 PolarHBondContact O-N 2.91Å; I443-I446 HydrophobicContact CB-CD1 4.18Å; I443-I446 HydrophobicContact CB-CG1 3.97Å; I443-I446 HydrophobicContact CG2-CG1 3.9Å; I443-Y492 HydrophobicContact CD1-CD1 4.36Å; I443-Y492 HydrophobicContact CD1-CE1 4.42Å; I443-Y492 HydrophobicContact CG2-CD1 4.11Å; I443-Y492 HydrophobicContact CG2-CD2 3.6Å; I443-Y492 HydrophobicContact CG2-CE2 4.29Å; I443-Y492 HydrophobicContact CG2-CG 3.5Å
444P59.6Low75.8Confident89 Ų8965.1 Ų65.158%0.57832%0.322SS*.THydrogen-bonded Turntrans-66.5141.3170.729.7-33.6000109.6N442 V495N442-P444 WeakPolarHBondContact O-CD 3.42Å; P444-V495 HydrophobicContact CG-CG2 4.2Å
445G67.9Low75.5Confident46 Ų4663.4 Ų63.447%0.47431%0.314SS..THydrogen-bonded Turntrans7630.4170.900000116.6R447 Y492 D493G445-R447 PolarHBondContact O-N 2.94Å; G445-R447 VanDerWaalsContact O-N 3.17Å; G445-Y492 VanDerWaalsContact O-CA 3.25Å; G445-Y492 WeakPolarHBondContact O-CA 3.4Å; G445-D493 PolarHBondContact O-N 3.11Å
446I73.6Confident75Confident40 Ų4067.1 Ų67.121%0.20534%0.341CS..EExtended strand (participates in β ladder)trans-62.9115.4166.9-54.3175.9000108.9F439 I443 F449 P468F439-I446 HydrophobicContact CD1-CD1 3.99Å; F439-I446 HydrophobicContact CE1-CD1 3.79Å; I443-I446 HydrophobicContact CB-CD1 4.18Å; I443-I446 HydrophobicContact CB-CG1 3.97Å; I443-I446 HydrophobicContact CG2-CG1 3.9Å; I446-F449 HydrophobicContact CD1-CZ 4.31Å; I446-F449 HydrophobicContact CG2-CE1 4.47Å; I446-F449 HydrophobicContact CG2-CZ 4.31Å; I446-P468 HydrophobicContact CG2-CB 4.11Å
447R75.8Confident74.2Confident134 Ų13469.4 Ų69.451%0.50635%0.353SS..EExtended strand (participates in β ladder)trans-79.2-39.5174.9-62.8-165.5-167.61789112.1G445 P468 I491 D493G445-R447 PolarHBondContact O-N 2.94Å; G445-R447 VanDerWaalsContact O-N 3.17Å; R447-P468 VanDerWaalsContact O-CD 3.29Å; R447-P468 WeakPolarHBondContact O-CD 3.25Å; R447-P468 WeakPolarHBondContact O-CG 3.41Å; R447-I491 PolarHBondContact N-O 2.03Å; R447-D493 IonicContact CZ-OD1 3.27Å; R447-D493 IonicContact CZ-OD2 2.77Å; R447-D493 IonicContact NE-OD1 3.44Å; R447-D493 PolarHBondContact NE-OD1 2.8Å; R447-D493 IonicContact NE-OD2 3.44Å; R447-D493 PolarHBondContact NE-OD2 2.9Å; R447-D493 IonicContact NH2-OD1 3.66Å; R447-D493 PolarHBondContact NH2-OD1 3.41Å; R447-D493 IonicContact NH2-OD2 3.53Å; R447-D493 PolarHBondContact NH2-OD2 3.04Å
448M84.1Confident73.2Confident63 Ų6372.6 Ų72.631%0.3137%0.371SS..EExtended strand (participates in β ladder)trans-170.2163.2-170.160.1-155.3-44.800111.5M465 I491M448-M465 HydrophobicContact CE-CB 3.89Å; M448-M465 HydrophobicContact CE-CE 3.61Å; M448-M465 HydrophobicContact CE-CG 4.27Å; M448-M465 HydrophobicContact CG-CE 4.15Å; M448-M465 HydrophobicContact SD-CE 3.93Å; M448-I491 HydrophobicContact CG-CB 3.9Å; M448-I491 HydrophobicContact CG-CD1 4.2Å; M448-I491 HydrophobicContact CG-CG1 4.29Å; M448-I491 HydrophobicContact CG-CG2 4.49Å; M448-I491 PolarHBondContact N-O 2.9Å; M448-I491 PolarHBondContact O-N 3.04Å
449F85.7Confident72.6Confident8 Ų876.1 Ų76.14%0.03539%0.389CS..EExtended strand (participates in β ladder)trans-103.1149.4166.1-63.5-78.5000110.8F437 I446 I466 V488 L489 A490 V505F437-F449 HydrophobicContact CE2-CD1 4.34Å; F437-F449 HydrophobicContact CE2-CD2 4.05Å; F437-F449 HydrophobicContact CE2-CE1 4.33Å; F437-F449 HydrophobicContact CE2-CE2 4.03Å; F437-F449 HydrophobicContact CE2-CG 4.21Å; F437-F449 HydrophobicContact CE2-CZ 4.18Å; F437-F449 HydrophobicContact CZ-CD2 4.31Å; F437-F449 HydrophobicContact CZ-CG 4.46Å; I446-F449 HydrophobicContact CD1-CZ 4.31Å; I446-F449 HydrophobicContact CG2-CE1 4.47Å; I446-F449 HydrophobicContact CG2-CZ 4.31Å; F449-I466 HydrophobicContact CB-CB 4.32Å; F449-I466 PolarHBondContact N-O 3.2Å; F449-I466 PolarHBondContact O-N 3.24Å; F449-V488 HydrophobicContact CD1-CG1 4.28Å; F449-L489 CarbonylContact C-O 3.52Å; F449-L489 VanDerWaalsContact CA-O 3.28Å; F449-L489 WeakPolarHBondContact CA-O 3.03Å; F449-A490 HydrophobicContact CD1-CB 3.95Å; F449-A490 HydrophobicContact CE1-CB 3.79Å; F449-V505 HydrophobicContact CD1-CG2 4.29Å; F449-V505 HydrophobicContact CE1-CG2 4.06Å
450Q87.5Confident72.4Confident34 Ų3477.2 Ų77.216%0.15940%0.403CS..EExtended strand (participates in β ladder)trans-115.6121167.6-179.3178.81.800108.2Q452 M465 L489 I491Q450-Q452 HydrophobicContact CG-CG 4.16Å; Q450-Q452 VanDerWaalsContact NE2-NE2 3.15Å; Q450-M465 HydrophobicContact CB-CE 3.87Å; Q450-M465 HydrophobicContact CB-SD 3.96Å; Q450-M465 HydrophobicContact CG-CE 4.27Å; Q450-M465 HydrophobicContact CG-SD 3.75Å; Q450-L489 HydrophobicContact CB-CB 4.49Å; Q450-L489 PolarHBondContact N-O 3.03Å; Q450-L489 PolarHBondContact O-N 2.74Å; Q450-I491 HydrophobicContact CB-CD1 4.24Å
451I88.1Confident73.4Confident0 Ų074.5 Ų74.50%039%0.393CS..EExtended strand (participates in β ladder)trans-93.7137.6165.8-63.6-168.3000108.1F437 Y453 Y463 R464 I466 F473 L486 C487 V488F437-I451 HydrophobicContact CE1-CD1 4.45Å; I451-Y453 HydrophobicContact CG2-CD1 4.32Å; I451-Y463 CarbonylContact O-C 3.59Å; I451-Y463 WeakPolarHBondContact O-CA 3.28Å; I451-R464 PolarHBondContact N-O 3.28Å; I451-R464 PolarHBondContact O-N 2.83Å; I451-I466 HydrophobicContact CB-CD1 4.41Å; I451-I466 HydrophobicContact CD1-CD1 3.4Å; I451-I466 VanDerWaalsContact CD1-CD1 3.4Å; I451-I466 HydrophobicContact CG1-CD1 3.66Å; I451-F473 HydrophobicContact CD1-CB 4.06Å; I451-F473 HydrophobicContact CD1-CD1 3.94Å; I451-F473 HydrophobicContact CD1-CG 4.19Å; I451-L486 HydrophobicContact CG2-CD1 3.82Å; I451-L486 HydrophobicContact CG2-CD2 3.94Å; I451-L486 HydrophobicContact CG2-CG 3.74Å; I451-C487 WeakPolarHBondContact CA-O 3.35Å; I451-V488 HydrophobicContact CD1-CG2 4.22Å; I451-V488 HydrophobicContact CG1-CG1 4.34Å; I451-V488 HydrophobicContact CG1-CG2 4.12Å
452Q88.5Confident74.5Confident52 Ų5269.4 Ų69.424%0.24338%0.38CS..EExtended strand (participates in β ladder)trans-124.1134.9171.2-60.2178.9-1.200108.1Q450 L461 V462 L486 C487 L489Q450-Q452 HydrophobicContact CG-CG 4.16Å; Q450-Q452 VanDerWaalsContact NE2-NE2 3.15Å; Q452-L461 HydrophobicContact CB-CD1 4.17Å; Q452-L461 HydrophobicContact CB-CG 4.42Å; Q452-V462 CarbonylContact C-O 3.52Å; Q452-V462 WeakPolarHBondContact CA-O 3.37Å; Q452-L486 CarbonylContact O-C 3.51Å; Q452-L486 WeakPolarHBondContact O-CA 3.35Å; Q452-C487 PolarHBondContact N-O 2.67Å; Q452-C487 PolarHBondContact O-N 3.25Å; Q452-L489 HydrophobicContact CG-CD1 3.93Å
453Y88Confident75.9Confident16 Ų1668.8 Ų68.86%0.06337%0.366CS..EExtended strand (participates in β ladder)trans-145.3147.6174.664.7-83.6000112.8I451 V462 V475 L478 Y484 D485 L486I451-Y453 HydrophobicContact CG2-CD1 4.32Å; Y453-V462 HydrophobicContact CD1-CB 4.27Å; Y453-V462 HydrophobicContact CD2-CB 4.4Å; Y453-V462 HydrophobicContact CE1-CB 3.89Å; Y453-V462 HydrophobicContact CE1-CG1 3.71Å; Y453-V462 HydrophobicContact CE2-CB 4.03Å; Y453-V462 HydrophobicContact CE2-CG1 4.38Å; Y453-V462 HydrophobicContact CE2-CG2 4.37Å; Y453-V462 PolarHBondContact N-O 3.03Å; Y453-V462 PolarHBondContact O-N 2.81Å; Y453-V475 HydrophobicContact CE1-CG1 4.03Å; Y453-V475 HydrophobicContact CE2-CG1 4.06Å; Y453-L478 HydrophobicContact CD2-CD2 4.4Å; Y453-L478 HydrophobicContact CE2-CD2 3.92Å; Y453-Y484 HydrophobicContact CD2-CD1 4.18Å; Y453-Y484 HydrophobicContact CD2-CE1 4.46Å; Y453-D485 CarbonylContact C-O 3.45Å; Y453-D485 WeakPolarHBondContact CA-O 3.31Å; Y453-L486 HydrophobicContact CD1-CD1 4.5Å; Y453-L486 HydrophobicContact CG-CD1 4.43Å
454N86.7Confident76.9Confident47 Ų4770.4 Ų70.425%0.25137%0.369SS..EExtended strand (participates in β ladder)trans-132.8149.9172.4-163.548.1000111.3D458 S460 L461 Y484 D485N454-D458 VanDerWaalsContact CG-O 3.3Å; N454-D458 PolarHBondContact ND2-O 2.92Å; N454-D458 PolarHBondContact OD1-O 2.83Å; N454-S460 PolarHBondContact OD1-N 3.41Å; N454-S460 PolarHBondContact OD1-O 3.22Å; N454-S460 VanDerWaalsContact OD1-O 3.11Å; N454-L461 HydrophobicContact CB-CD1 4.12Å; N454-Y484 WeakPolarHBondContact O-CA 3.41Å; N454-Y484 WeakPolarHBondContact O-CD1 3.44Å; N454-D485 PolarHBondContact N-O 3.02Å; N454-D485 PolarHBondContact O-N 3.01Å
455G82.4Confident78.1Confident5 Ų570.2 Ų70.25%0.05236%0.362CS..EExtended strand (participates in β ladder)trans-102.2153.6178.100000112.5Q457 D458 Q483 Y484G455-Q457 PolarHBondContact O-N 2.97Å; G455-D458 PolarHBondContact O-N 3.03Å; G455-Q483 CarbonylContact C-O 3.56Å; G455-Q483 WeakPolarHBondContact CA-O 3.03Å; G455-Y484 VanDerWaalsContact CA-CD1 3.45Å; G455-Y484 VanDerWaalsContact CA-CE1 3.45Å
456S78.5Confident78.8Confident79 Ų7968.3 Ų68.355%0.55234%0.341SS*.THydrogen-bonded Turntrans-70.52.7-178.868.30000115.2Q483S456-Q483 PolarHBondContact N-O 3.1Å; S456-Q483 PolarHBondContact OG-N 2.87Å
457Q66.6Low79.2Confident155 Ų15570.1 Ų70.172%0.72436%0.355SS*.THydrogen-bonded Turntrans-124.2-6.6175.9-63.3-175.1700112.8G455G455-Q457 PolarHBondContact O-N 2.97Å
458D63.3Low79.2Confident77 Ų7766.9 Ų66.941%0.41235%0.351SS..  trans-117.2134.5-178.4-66.6-58.6000109.5N454 G455 S460N454-D458 VanDerWaalsContact CG-O 3.3Å; N454-D458 PolarHBondContact ND2-O 2.92Å; N454-D458 PolarHBondContact OD1-O 2.83Å; G455-D458 PolarHBondContact O-N 3.03Å; D458-S460 VanDerWaalsContact C-N 3.26Å; D458-S460 PolarHBondContact O-N 3.02Å
459D57.1Low78.8Confident178 Ų17869 Ų6995%0.95237%0.372SS*.  trans-89.714.7171.8-75.2-39.1000112.3
460S60.6Low78.5Confident69 Ų6970 Ų7048%0.48338%0.38SS..  trans-110.399.2-172.661.30000112.7N454 D458 V462N454-S460 PolarHBondContact OD1-N 3.41Å; N454-S460 PolarHBondContact OD1-O 3.22Å; N454-S460 VanDerWaalsContact OD1-O 3.11Å; D458-S460 VanDerWaalsContact C-N 3.26Å; D458-S460 PolarHBondContact O-N 3.02Å; S460-V462 PolarHBondContact O-N 2.88Å
461L76.8Confident77.9Confident101 Ų10175.3 Ų75.353%0.52941%0.405SS..  trans-61.1106173-172.571.8000111.1Q452 N454Q452-L461 HydrophobicContact CB-CD1 4.17Å; Q452-L461 HydrophobicContact CB-CG 4.42Å; N454-L461 HydrophobicContact CB-CD1 4.12Å
462V79.4Confident77.7Confident56 Ų5679.4 Ų79.434%0.33943%0.427SS..EExtended strand (participates in β ladder)trans-84.6129.4176.2-177.10000108.8Q452 Y453 S460Q452-V462 CarbonylContact C-O 3.52Å; Q452-V462 WeakPolarHBondContact CA-O 3.37Å; Y453-V462 HydrophobicContact CD1-CB 4.27Å; Y453-V462 HydrophobicContact CD2-CB 4.4Å; Y453-V462 HydrophobicContact CE1-CB 3.89Å; Y453-V462 HydrophobicContact CE1-CG1 3.71Å; Y453-V462 HydrophobicContact CE2-CB 4.03Å; Y453-V462 HydrophobicContact CE2-CG1 4.38Å; Y453-V462 HydrophobicContact CE2-CG2 4.37Å; Y453-V462 PolarHBondContact N-O 3.03Å; Y453-V462 PolarHBondContact O-N 2.81Å; S460-V462 PolarHBondContact O-N 2.88Å
463Y83.1Confident77.6Confident156 Ų15679 Ų7961%0.61242%0.424SS*.EExtended strand (participates in β ladder)trans-117.6148.217266.9-86.8000112.1I451 M465I451-Y463 CarbonylContact O-C 3.59Å; I451-Y463 WeakPolarHBondContact O-CA 3.28Å; Y463-M465 HydrophobicContact CD2-SD 4.31Å
464R82.4Confident77.4Confident74 Ų7482.7 Ų82.728%0.27945%0.445SS..EExtended strand (participates in β ladder)trans-137.3139.3174.5-67.4-172-176.5-179.42.9110.5I451 N476I451-R464 PolarHBondContact N-O 3.28Å; I451-R464 PolarHBondContact O-N 2.83Å; R464-N476 PolarHBondContact NH1-OD1 3.32Å; R464-N476 PolarHBondContact NH2-OD1 2.77Å
465M83.7Confident77.4Confident85 Ų8580.5 Ų80.542%0.41943%0.433SS..EExtended strand (participates in β ladder)trans-94.3138.8177.3-53.5-46.5-69.900110.1M448 Q450 Y463 I491M448-M465 HydrophobicContact CE-CB 3.89Å; M448-M465 HydrophobicContact CE-CE 3.61Å; M448-M465 HydrophobicContact CE-CG 4.27Å; M448-M465 HydrophobicContact CG-CE 4.15Å; M448-M465 HydrophobicContact SD-CE 3.93Å; Q450-M465 HydrophobicContact CB-CE 3.87Å; Q450-M465 HydrophobicContact CB-SD 3.96Å; Q450-M465 HydrophobicContact CG-CE 4.27Å; Q450-M465 HydrophobicContact CG-SD 3.75Å; Y463-M465 HydrophobicContact CD2-SD 4.31Å; M465-I491 HydrophobicContact CE-CD1 3.65Å
466I83.2Confident77.6Confident6 Ų683 Ų833%0.03145%0.445CS..EExtended strand (participates in β ladder)trans-136.2139.2-169.4-63-174.3000110.4F449 I451 S470 F473F449-I466 HydrophobicContact CB-CB 4.32Å; F449-I466 PolarHBondContact N-O 3.2Å; F449-I466 PolarHBondContact O-N 3.24Å; I451-I466 HydrophobicContact CB-CD1 4.41Å; I451-I466 HydrophobicContact CD1-CD1 3.4Å; I451-I466 VanDerWaalsContact CD1-CD1 3.4Å; I451-I466 HydrophobicContact CG1-CD1 3.66Å; I466-S470 VanDerWaalsContact CG2-OG 3.23Å; I466-S470 WeakPolarHBondContact CG2-OG 3.32Å; I466-F473 HydrophobicContact CD1-CB 3.86Å; I466-F473 HydrophobicContact CD1-CD1 3.95Å; I466-F473 HydrophobicContact CD1-CD2 3.43Å; I466-F473 VanDerWaalsContact CD1-CD2 3.43Å; I466-F473 HydrophobicContact CD1-CE1 4.33Å; I466-F473 HydrophobicContact CD1-CE2 3.86Å; I466-F473 HydrophobicContact CD1-CG 3.46Å; I466-F473 VanDerWaalsContact CD1-CG 3.46Å; I466-F473 HydrophobicContact CD1-CZ 4.28Å; I466-F473 HydrophobicContact CG1-CD2 4.21Å; I466-F473 HydrophobicContact CG1-CE2 4.3Å
467P81.8Confident77.7Confident78 Ų7886 Ų8651%0.50646%0.455SS..  trans-58.3147.2177.6-25.234.9000113.6S469 S470P467-S469 PolarHBondContact O-N 3.42Å; P467-S469 VanDerWaalsContact O-N 3.11Å; P467-S470 WeakPolarHBondContact O-CB 3.33Å; P467-S470 PolarHBondContact O-N 3.2Å; P467-S470 VanDerWaalsContact O-N 3.12Å; P467-S470 PolarHBondContact O-OG 3.4Å
468P76.4Confident78.5Confident66 Ų6679.2 Ų79.243%0.42942%0.424SS..THydrogen-bonded Turntrans-68.7-11.6-175.430.4-36000113.8I446 R447 S470I446-P468 HydrophobicContact CG2-CB 4.11Å; R447-P468 VanDerWaalsContact O-CD 3.29Å; R447-P468 WeakPolarHBondContact O-CD 3.25Å; R447-P468 WeakPolarHBondContact O-CG 3.41Å; P468-S470 VanDerWaalsContact C-N 3.32Å
469S75.6Confident79.5Confident107 Ų10777.5 Ų77.575%0.74842%0.42SS*.THydrogen-bonded Turntrans-85.45.1174.1510000114.4P467P467-S469 PolarHBondContact O-N 3.42Å; P467-S469 VanDerWaalsContact O-N 3.11Å
470S79.6Confident80.7Confident28 Ų2871.3 Ų71.320%0.19639%0.393CS..  trans-95.4116.8-173.5-43.40000111.6F437 I466 P467 P468F437-S470 WeakPolarHBondContact CE2-O 3.43Å; F437-S470 WeakPolarHBondContact CZ-O 3.21Å; I466-S470 VanDerWaalsContact CG2-OG 3.23Å; I466-S470 WeakPolarHBondContact CG2-OG 3.32Å; P467-S470 WeakPolarHBondContact O-CB 3.33Å; P467-S470 PolarHBondContact O-N 3.2Å; P467-S470 VanDerWaalsContact O-N 3.12Å; P467-S470 PolarHBondContact O-OG 3.4Å; P468-S470 VanDerWaalsContact C-N 3.32Å
471E74.2Confident81.8Confident147 Ų14769.9 Ų69.969%0.68739%0.39SS*.SBendtrans-93.9-8.3174.2-57.8180163.800113F437F437-E471 PolarHBondContact N-O 3.01Å; F437-E471 VanDerWaalsContact O-O 3.1Å
472N83.1Confident82.1Confident85 Ų8565.2 Ų65.246%0.45537%0.366SS..EExtended strand (participates in β ladder)trans-152.7159.3-178.862.185.3000111.4I435 K436I435-N472 CarbonylContact O-C 3.58Å; I435-N472 WeakPolarHBondContact O-CA 3.41Å; I435-N472 WeakPolarHBondContact O-CB 3.06Å; K436-N472 HydrophobicContact CB-CB 4.47Å; K436-N472 HydrophobicContact CG-CB 3.93Å
473F86.3Confident82.5Confident44 Ų4466.4 Ų66.419%0.19337%0.368CS..EExtended strand (participates in β ladder)trans-150.9137.4-179.4-176.3-108.9000111.6I435 I451 I466 V475I435-F473 PolarHBondContact N-O 2.97Å; I435-F473 PolarHBondContact O-N 3.32Å; I451-F473 HydrophobicContact CD1-CB 4.06Å; I451-F473 HydrophobicContact CD1-CD1 3.94Å; I451-F473 HydrophobicContact CD1-CG 4.19Å; I466-F473 HydrophobicContact CD1-CB 3.86Å; I466-F473 HydrophobicContact CD1-CD1 3.95Å; I466-F473 HydrophobicContact CD1-CD2 3.43Å; I466-F473 VanDerWaalsContact CD1-CD2 3.43Å; I466-F473 HydrophobicContact CD1-CE1 4.33Å; I466-F473 HydrophobicContact CD1-CE2 3.86Å; I466-F473 HydrophobicContact CD1-CG 3.46Å; I466-F473 VanDerWaalsContact CD1-CG 3.46Å; I466-F473 HydrophobicContact CD1-CZ 4.28Å; I466-F473 HydrophobicContact CG1-CD2 4.21Å; I466-F473 HydrophobicContact CG1-CE2 4.3Å; F473-V475 HydrophobicContact CD1-CG2 3.9Å; F473-V475 HydrophobicContact CE1-CG2 4.06Å
474L85.3Confident82.7Confident94 Ų9459.5 Ų59.549%0.49234%0.34SS..EExtended strand (participates in β ladder)trans-95.1109.4172.6-174.768.1000110L434L434-L474 HydrophobicContact CB-CD1 4.16Å; L434-L474 HydrophobicContact CD1-CB 4.43Å; L434-L474 HydrophobicContact CD1-CD1 4.47Å
475V86.4Confident82.9Confident0 Ų060.2 Ų60.20%035%0.35CS..EExtended strand (participates in β ladder)trans-75.9134.6167.2-165.80000108.2T432 A433 I435 Y453 F473 L478 L486T432-V475 CarbonylContact C-O 3.43Å; T432-V475 VanDerWaalsContact CA-O 3.23Å; T432-V475 WeakPolarHBondContact CA-O 3.36Å; T432-V475 WeakPolarHBondContact CB-O 3.37Å; A433-V475 PolarHBondContact N-O 3.43Å; A433-V475 PolarHBondContact O-N 3.04Å; I435-V475 HydrophobicContact CG1-CG2 4.02Å; Y453-V475 HydrophobicContact CE1-CG1 4.03Å; Y453-V475 HydrophobicContact CE2-CG1 4.06Å; F473-V475 HydrophobicContact CD1-CG2 3.9Å; F473-V475 HydrophobicContact CE1-CG2 4.06Å; V475-L478 HydrophobicContact CB-CD1 4.41Å; V475-L478 HydrophobicContact CG1-CD1 4.26Å; V475-L478 HydrophobicContact CG1-CD2 3.71Å; V475-L478 HydrophobicContact CG1-CG 4.08Å; V475-L486 HydrophobicContact CG2-CD1 3.79Å
476N85.9Confident83.2Confident59 Ų5956.2 Ų56.232%0.31633%0.33SS..EExtended strand (participates in β ladder)trans-132.1162.2-177.267.3-23.7000111.5T432 R464 L478T432-N476 HydrophobicContact CG2-CB 4.28Å; R464-N476 PolarHBondContact NH1-OD1 3.32Å; R464-N476 PolarHBondContact NH2-OD1 2.77Å; N476-L478 VanDerWaalsContact C-N 3.34Å
477N80.9Confident83.4Confident142 Ų14257.8 Ų57.876%0.75934%0.341SS*.SBendtrans61.140.9-176.9-52-7.3000112.3S431S431-N477 PolarHBondContact O-N 3.09Å
478L84.3Confident83.6Confident12 Ų1254.1 Ų54.16%0.06332%0.317CS..PPolyproline II helixtrans-78.7152.6169.7-60.7176.4000110.5S431 A433 Y453 V475 N476 Y484 F510 T512S431-L478 WeakPolarHBondContact CA-O 3.28Å; S431-L478 PolarHBondContact O-N 3.17Å; A433-L478 HydrophobicContact CB-CD1 3.75Å; Y453-L478 HydrophobicContact CD2-CD2 4.4Å; Y453-L478 HydrophobicContact CE2-CD2 3.92Å; V475-L478 HydrophobicContact CB-CD1 4.41Å; V475-L478 HydrophobicContact CG1-CD1 4.26Å; V475-L478 HydrophobicContact CG1-CD2 3.71Å; V475-L478 HydrophobicContact CG1-CG 4.08Å; N476-L478 VanDerWaalsContact C-N 3.34Å; L478-Y484 HydrophobicContact CB-CE2 3.94Å; L478-Y484 HydrophobicContact CD2-CD1 4.19Å; L478-Y484 HydrophobicContact CD2-CD2 4.26Å; L478-Y484 HydrophobicContact CD2-CE1 3.88Å; L478-Y484 HydrophobicContact CD2-CE2 3.93Å; L478-Y484 HydrophobicContact CD2-CG 4.39Å; L478-Y484 HydrophobicContact CG-CE2 4.36Å; L478-F510 HydrophobicContact CD1-CE2 3.84Å; L478-F510 HydrophobicContact CD1-CZ 4.05Å; L478-T512 HydrophobicContact CB-CG2 3.78Å; L478-T512 HydrophobicContact CD1-CG2 3.79Å; L478-T512 HydrophobicContact CG-CG2 4.44Å
479A82.8Confident84.1Confident41 Ų4151.9 Ų51.934%0.33930%0.302SS..PPolyproline II helixtrans-78.4141.8170.200000110.3S430 Y484 T512S430-A479 CarbonylContact O-C 3.53Å; A479-Y484 WeakPolarHBondContact CB-OH 3.48Å; A479-Y484 PolarHBondContact N-OH 2.97Å; A479-T512 WeakPolarHBondContact O-CB 3.46Å; A479-T512 PolarHBondContact O-OG1 3.18Å
480A84.1Confident84.4Confident47 Ų4746.8 Ų46.839%0.38827%0.266SS..THydrogen-bonded Turntrans-79.7137.6-177.300000112.5S430 T482 E515S430-A480 VanDerWaalsContact O-CA 3.26Å; S430-A480 WeakPolarHBondContact O-CA 3.43Å; S430-A480 PolarHBondContact O-N 2.79Å; A480-T482 VanDerWaalsContact C-N 3.28Å; A480-T482 PolarHBondContact O-N 3.17Å; A480-E515 HydrophobicContact CB-CB 3.74Å
481G81.9Confident84.6Confident40 Ų4046.5 Ų46.541%0.41226%0.262SS..THydrogen-bonded Turntrans71.915.2-175.800000115.2T512 E513G481-T512 WeakPolarHBondContact CA-O 3.24Å; G481-T512 PolarHBondContact N-O 2.92Å; G481-T512 PolarHBondContact N-OG1 3.09Å; G481-E513 PolarHBondContact N-O 3.31Å; G481-E513 VanDerWaalsContact N-O 3.09Å
482T82.9Confident84.8Confident3 Ų342.1 Ų42.12%0.01824%0.24CC..  trans-102.4141-177.9-66.40000110.7A480 Y484 T511 T512A480-T482 VanDerWaalsContact C-N 3.28Å; A480-T482 PolarHBondContact O-N 3.17Å; T482-Y484 HydrophobicContact CG2-CD2 4.24Å; T482-Y484 HydrophobicContact CG2-CE1 4.4Å; T482-Y484 HydrophobicContact CG2-CE2 3.68Å; T482-Y484 WeakPolarHBondContact O-CD2 3.47Å; T482-T511 WeakPolarHBondContact O-CA 3.01Å; T482-T512 PolarHBondContact N-OG1 3.08Å; T482-T512 PolarHBondContact O-N 2.98Å; T482-T512 PolarHBondContact O-OG1 3.17Å
483Q88.9Confident84.5Confident81 Ų8140.5 Ų40.538%0.37923%0.231SC..EExtended strand (participates in β ladder)trans-86.5135.4175.1-171.417222.300109.7G455 S456 Q509 T511G455-Q483 CarbonylContact C-O 3.56Å; G455-Q483 WeakPolarHBondContact CA-O 3.03Å; S456-Q483 PolarHBondContact N-O 3.1Å; S456-Q483 PolarHBondContact OG-N 2.87Å; Q483-Q509 HydrophobicContact CG-CG 4.21Å; Q483-Q509 VanDerWaalsContact NE2-OE1 3.11Å; Q483-T511 HydrophobicContact CB-CG2 4.47Å
484Y87Confident83.8Confident10 Ų1040.3 Ų40.34%0.03923%0.232CC..EExtended strand (participates in β ladder)trans-125.3131.8-177.5-75-80.5000111.2Y453 N454 G455 L478 A479 T482 Q509 F510 T512Y453-Y484 HydrophobicContact CD2-CD1 4.18Å; Y453-Y484 HydrophobicContact CD2-CE1 4.46Å; N454-Y484 WeakPolarHBondContact O-CA 3.41Å; N454-Y484 WeakPolarHBondContact O-CD1 3.44Å; G455-Y484 VanDerWaalsContact CA-CD1 3.45Å; G455-Y484 VanDerWaalsContact CA-CE1 3.45Å; L478-Y484 HydrophobicContact CB-CE2 3.94Å; L478-Y484 HydrophobicContact CD2-CD1 4.19Å; L478-Y484 HydrophobicContact CD2-CD2 4.26Å; L478-Y484 HydrophobicContact CD2-CE1 3.88Å; L478-Y484 HydrophobicContact CD2-CE2 3.93Å; L478-Y484 HydrophobicContact CD2-CG 4.39Å; L478-Y484 HydrophobicContact CG-CE2 4.36Å; A479-Y484 WeakPolarHBondContact CB-OH 3.48Å; A479-Y484 PolarHBondContact N-OH 2.97Å; T482-Y484 HydrophobicContact CG2-CD2 4.24Å; T482-Y484 HydrophobicContact CG2-CE1 4.4Å; T482-Y484 HydrophobicContact CG2-CE2 3.68Å; T482-Y484 WeakPolarHBondContact O-CD2 3.47Å; Y484-Q509 WeakPolarHBondContact O-CA 3.44Å; Y484-F510 HydrophobicContact CD2-CE2 4.25Å; Y484-F510 HydrophobicContact CG-CE2 4.43Å; Y484-F510 HydrophobicContact CG-CZ 4.26Å; Y484-F510 PolarHBondContact N-O 3.11Å; Y484-F510 PolarHBondContact O-N 2.86Å; Y484-T512 HydrophobicContact CD2-CG2 4.12Å; Y484-T512 HydrophobicContact CE2-CG2 4Å
485D87.8Confident82.8Confident90 Ų9041.6 Ų41.648%0.48124%0.243SC..EExtended strand (participates in β ladder)trans-101.8123.6168.1-75.1-36.4000108.7Y453 N454 Q509Y453-D485 CarbonylContact C-O 3.45Å; Y453-D485 WeakPolarHBondContact CA-O 3.31Å; N454-D485 PolarHBondContact N-O 3.02Å; N454-D485 PolarHBondContact O-N 3.01Å; D485-Q509 VanDerWaalsContact OD1-CB 3.29Å; D485-Q509 WeakPolarHBondContact OD1-CB 3.35Å; D485-Q509 WeakPolarHBondContact OD1-CG 3.23Å; D485-Q509 PolarHBondContact OD1-NE2 2.77Å
486L89.6Confident81.7Confident1 Ų149 Ų491%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-129.9129.4-175.6-177.7151000111.2I435 I451 Q452 Y453 V475 V488 C507 V508 F510I435-L486 HydrophobicContact CD1-CD1 4.17Å; I435-L486 HydrophobicContact CD1-CD2 4.5Å; I435-L486 HydrophobicContact CG1-CD1 3.84Å; I435-L486 HydrophobicContact CG1-CD2 4.19Å; I435-L486 HydrophobicContact CG2-CD2 4.16Å; I451-L486 HydrophobicContact CG2-CD1 3.82Å; I451-L486 HydrophobicContact CG2-CD2 3.94Å; I451-L486 HydrophobicContact CG2-CG 3.74Å; Q452-L486 CarbonylContact O-C 3.51Å; Q452-L486 WeakPolarHBondContact O-CA 3.35Å; Y453-L486 HydrophobicContact CD1-CD1 4.5Å; Y453-L486 HydrophobicContact CG-CD1 4.43Å; V475-L486 HydrophobicContact CG2-CD1 3.79Å; L486-V488 HydrophobicContact CD2-CG2 4.07Å; L486-C507 CarbonylContact O-C 3.47Å; L486-C507 WeakPolarHBondContact O-CA 3.36Å; L486-C507 WeakPolarHBondContact O-CB 3.41Å; L486-V508 HydrophobicContact CB-CG1 4.34Å; L486-V508 HydrophobicContact CD2-CG1 4.1Å; L486-V508 PolarHBondContact N-O 3.46Å; L486-V508 PolarHBondContact O-N 2.76Å; L486-F510 HydrophobicContact CB-CE1 4.08Å; L486-F510 HydrophobicContact CD1-CE1 4.22Å
487C87.2Confident80.8Confident39 Ų3949.7 Ų49.726%0.26429%0.288SS..EExtended strand (participates in β ladder)trans-119.1143.7175.3-68.50000111.3I451 Q452 L489 C507I451-C487 WeakPolarHBondContact CA-O 3.35Å; Q452-C487 PolarHBondContact N-O 2.67Å; Q452-C487 PolarHBondContact O-N 3.25Å; C487-L489 HydrophobicContact CB-CD1 4.43Å; C487-C507 HydrophobicContact CB-CB 4.06Å; C487-C507 WeakPolarHBondContact CB-SG 3.47Å; C487-C507 WeakPolarHBondContact SG-CB 3.49Å; C487-C507 CovalentContact SG-SG 2.04Å; C487-C507 PolarHBondContact SG-SG 2.69Å
488V86.2Confident80Confident0 Ų047.8 Ų47.80%029%0.286CS..EExtended strand (participates in β ladder)trans-110.9130172.9-172.90000108.5V423 F437 F449 I451 L486 V505 G506V423-V488 HydrophobicContact CG1-CG2 3.86Å; V423-V488 HydrophobicContact CG2-CB 4.14Å; V423-V488 HydrophobicContact CG2-CG2 3.88Å; F437-V488 HydrophobicContact CD1-CG1 4.49Å; F437-V488 HydrophobicContact CD1-CG2 4.28Å; F437-V488 HydrophobicContact CD2-CG1 4.33Å; F437-V488 HydrophobicContact CE1-CG1 4.48Å; F437-V488 HydrophobicContact CE2-CG1 4.31Å; F437-V488 HydrophobicContact CG-CG1 4.43Å; F437-V488 HydrophobicContact CZ-CG1 4.38Å; F449-V488 HydrophobicContact CD1-CG1 4.28Å; I451-V488 HydrophobicContact CD1-CG2 4.22Å; I451-V488 HydrophobicContact CG1-CG1 4.34Å; I451-V488 HydrophobicContact CG1-CG2 4.12Å; L486-V488 HydrophobicContact CD2-CG2 4.07Å; V488-V505 HydrophobicContact CB-CB 4.2Å; V488-V505 HydrophobicContact CG1-CB 4.19Å; V488-V505 HydrophobicContact CG1-CG2 4.4Å; V488-V505 WeakPolarHBondContact O-CB 3.49Å; V488-V505 PolarHBondContact O-N 3.5Å; V488-G506 PolarHBondContact N-O 2.69Å; V488-G506 PolarHBondContact O-N 3.28Å
489L85.6Confident79.1Confident20 Ų2052.8 Ų52.811%0.10531%0.312CS..EExtended strand (participates in β ladder)trans-121138.3176.2-57.589.8000109.6F449 Q450 Q452 C487 C503 V504F449-L489 CarbonylContact C-O 3.52Å; F449-L489 VanDerWaalsContact CA-O 3.28Å; F449-L489 WeakPolarHBondContact CA-O 3.03Å; Q450-L489 HydrophobicContact CB-CB 4.49Å; Q450-L489 PolarHBondContact N-O 3.03Å; Q450-L489 PolarHBondContact O-N 2.74Å; Q452-L489 HydrophobicContact CG-CD1 3.93Å; C487-L489 HydrophobicContact CB-CD1 4.43Å; L489-C503 CarbonylContact C-O 3.55Å; L489-C503 VanDerWaalsContact CA-O 3.31Å; L489-C503 WeakPolarHBondContact CA-O 3.35Å; L489-V504 HydrophobicContact CD2-CG2 4.08Å; L489-V504 HydrophobicContact CG-CG2 4.23Å
490A83Confident78.7Confident0 Ų054.7 Ų54.70%032%0.32CS..EExtended strand (participates in β ladder)trans-91.1133.6169.200000109.3F449 T502 C503 V505F449-A490 HydrophobicContact CD1-CB 3.95Å; F449-A490 HydrophobicContact CE1-CB 3.79Å; A490-T502 CarbonylContact O-C 3.56Å; A490-T502 WeakPolarHBondContact O-CA 3.41Å; A490-C503 PolarHBondContact N-O 2.87Å; A490-C503 PolarHBondContact O-N 2.84Å; A490-V505 HydrophobicContact CB-CG2 3.84Å
491I82.8Confident78.3Confident21 Ų2153.7 Ų53.711%0.10831%0.311CS..EExtended strand (participates in β ladder)trans-107.9122170.8-51.6-168.5000107.8R447 M448 Q450 M465 A501 T502R447-I491 PolarHBondContact N-O 2.03Å; M448-I491 HydrophobicContact CG-CB 3.9Å; M448-I491 HydrophobicContact CG-CD1 4.2Å; M448-I491 HydrophobicContact CG-CG1 4.29Å; M448-I491 HydrophobicContact CG-CG2 4.49Å; M448-I491 PolarHBondContact N-O 2.9Å; M448-I491 PolarHBondContact O-N 3.04Å; Q450-I491 HydrophobicContact CB-CD1 4.24Å; M465-I491 HydrophobicContact CE-CD1 3.65Å; I491-A501 WeakPolarHBondContact CA-O 3.29Å; I491-T502 HydrophobicContact CD1-CG2 4.27Å; I491-T502 HydrophobicContact CG1-CG2 3.95Å; I491-T502 HydrophobicContact CG2-CG2 4.36Å
492Y79.8Confident78.3Confident56 Ų5655.9 Ų55.922%0.2232%0.317CS..EExtended strand (participates in β ladder)trans-139.9159.1-173.568.2-81.5000111.4I443 G445 D494 A501 C503I443-Y492 HydrophobicContact CD1-CD1 4.36Å; I443-Y492 HydrophobicContact CD1-CE1 4.42Å; I443-Y492 HydrophobicContact CG2-CD1 4.11Å; I443-Y492 HydrophobicContact CG2-CD2 3.6Å; I443-Y492 HydrophobicContact CG2-CE2 4.29Å; I443-Y492 HydrophobicContact CG2-CG 3.5Å; G445-Y492 VanDerWaalsContact O-CA 3.25Å; G445-Y492 WeakPolarHBondContact O-CA 3.4Å; Y492-D494 HydrophobicContact CE2-CB 4.43Å; Y492-A501 HydrophobicContact CD1-CB 4.31Å; Y492-A501 HydrophobicContact CD2-CB 4.4Å; Y492-A501 HydrophobicContact CE1-CB 3.75Å; Y492-A501 HydrophobicContact CE2-CB 3.86Å; Y492-A501 VanDerWaalsContact CZ-CB 3.5Å; Y492-A501 PolarHBondContact N-O 3.09Å; Y492-A501 PolarHBondContact O-N 3.06Å; Y492-C503 HydrophobicContact CE1-CB 3.87Å
493D76.4Confident78.1Confident50 Ų5058.3 Ų58.327%0.26733%0.333SS..EExtended strand (participates in β ladder)trans-86.3119.1172.3-68.2-43.8000110.1G445 R447 V495G445-D493 PolarHBondContact O-N 3.11Å; R447-D493 IonicContact CZ-OD1 3.27Å; R447-D493 IonicContact CZ-OD2 2.77Å; R447-D493 IonicContact NE-OD1 3.44Å; R447-D493 PolarHBondContact NE-OD1 2.8Å; R447-D493 IonicContact NE-OD2 3.44Å; R447-D493 PolarHBondContact NE-OD2 2.9Å; R447-D493 IonicContact NH2-OD1 3.66Å; R447-D493 PolarHBondContact NH2-OD1 3.41Å; R447-D493 IonicContact NH2-OD2 3.53Å; R447-D493 PolarHBondContact NH2-OD2 3.04Å; D493-V495 PolarHBondContact O-N 3.42Å
494D71.3Confident77.8Confident40 Ų4057.9 Ų57.921%0.21434%0.336CS..  trans-71.3120170.4170.534.6000109.7Y492 I496 T497 S498 L499 A501Y492-D494 HydrophobicContact CE2-CB 4.43Å; D494-I496 PolarHBondContact O-N 2.99Å; D494-I496 PolarHBondContact OD1-N 2.96Å; D494-T497 PolarHBondContact O-N 2.95Å; D494-T497 VanDerWaalsContact OD2-CB 3.3Å; D494-T497 WeakPolarHBondContact OD2-CB 3.4Å; D494-T497 VanDerWaalsContact OD2-CG2 3.31Å; D494-T497 WeakPolarHBondContact OD2-CG2 3.34Å; D494-T497 PolarHBondContact OD2-N 3.12Å; D494-T497 PolarHBondContact OD2-OG1 3.28Å; D494-S498 WeakPolarHBondContact O-CA 3.45Å; D494-S498 PolarHBondContact O-N 3.03Å; D494-L499 PolarHBondContact N-O 2.81Å; D494-A501 HydrophobicContact CB-CB 4.45Å
495V64.4Low77.4Confident121 Ų12157.8 Ų57.873%0.73334%0.336SS*.THydrogen-bonded Turntrans-64.3-19.6-179.1-175.20000111.8P444 D493P444-V495 HydrophobicContact CG-CG2 4.2Å; D493-V495 PolarHBondContact O-N 3.42Å
496I63.4Low77.1Confident156 Ų15654.4 Ų54.480%0.832%0.323SS*.THydrogen-bonded Turntrans-88-47.7-179.2-56.8175.9000111.6D494D494-I496 PolarHBondContact O-N 2.99Å; D494-I496 PolarHBondContact OD1-N 2.96Å
497T67.3Low76.8Confident73 Ų7357.8 Ų57.845%0.44835%0.346SS..THydrogen-bonded Turntrans-97-13.3-176.558.80000115.1D494 L499D494-T497 PolarHBondContact O-N 2.95Å; D494-T497 VanDerWaalsContact OD2-CB 3.3Å; D494-T497 WeakPolarHBondContact OD2-CB 3.4Å; D494-T497 VanDerWaalsContact OD2-CG2 3.31Å; D494-T497 WeakPolarHBondContact OD2-CG2 3.34Å; D494-T497 PolarHBondContact OD2-N 3.12Å; D494-T497 PolarHBondContact OD2-OG1 3.28Å; T497-L499 PolarHBondContact O-N 3.03Å; T497-L499 VanDerWaalsContact O-N 3.16Å
498S63.3Low76.8Confident103 Ų10357 Ų5772%0.7234%0.34SS*.  trans58.215.4-171.868.20000115.3D494D494-S498 WeakPolarHBondContact O-CA 3.45Å; D494-S498 PolarHBondContact O-N 3.03Å
499L65.4Low76.9Confident117 Ų11762.6 Ų62.661%0.61337%0.366SS*.SBendtrans-98.3155.1176-67.2170.9000111.2D494 T497 A501D494-L499 PolarHBondContact N-O 2.81Å; T497-L499 PolarHBondContact O-N 3.03Å; T497-L499 VanDerWaalsContact O-N 3.16Å; L499-A501 PolarHBondContact O-N 2.86Å
500T74.4Confident76.9Confident81 Ų8162.4 Ų62.450%0.49736%0.364SS..EExtended strand (participates in β ladder)trans-72.6109.617449.80000110.6
501A76.5Confident77.1Confident26 Ų2666 Ų6622%0.21539%0.386CS..EExtended strand (participates in β ladder)trans-95.1157173.600000111I491 Y492 D494 L499I491-A501 WeakPolarHBondContact CA-O 3.29Å; Y492-A501 HydrophobicContact CD1-CB 4.31Å; Y492-A501 HydrophobicContact CD2-CB 4.4Å; Y492-A501 HydrophobicContact CE1-CB 3.75Å; Y492-A501 HydrophobicContact CE2-CB 3.86Å; Y492-A501 VanDerWaalsContact CZ-CB 3.5Å; Y492-A501 PolarHBondContact N-O 3.09Å; Y492-A501 PolarHBondContact O-N 3.06Å; D494-A501 HydrophobicContact CB-CB 4.45Å; L499-A501 PolarHBondContact O-N 2.86Å
502T80.5Confident77.3Confident86 Ų8665.3 Ų65.353%0.52838%0.383SS..EExtended strand (participates in β ladder)trans-127.5140.9173.973.10000110.6A490 I491A490-T502 CarbonylContact O-C 3.56Å; A490-T502 WeakPolarHBondContact O-CA 3.41Å; I491-T502 HydrophobicContact CD1-CG2 4.27Å; I491-T502 HydrophobicContact CG1-CG2 3.95Å; I491-T502 HydrophobicContact CG2-CG2 4.36Å
503C79.8Confident77.5Confident54 Ų5468.4 Ų68.437%0.36540%0.399SS..EExtended strand (participates in β ladder)trans-139.3134.3-179.8-175.70000110.8L489 A490 Y492 V505L489-C503 CarbonylContact C-O 3.55Å; L489-C503 VanDerWaalsContact CA-O 3.31Å; L489-C503 WeakPolarHBondContact CA-O 3.35Å; A490-C503 PolarHBondContact N-O 2.87Å; A490-C503 PolarHBondContact O-N 2.84Å; Y492-C503 HydrophobicContact CE1-CB 3.87Å; C503-V505 PolarHBondContact O-N 3.32Å
504V81.3Confident77.5Confident72 Ų7270.3 Ų70.344%0.43642%0.417SS..EExtended strand (participates in β ladder)trans-72.3117.8179-176.50000110L489L489-V504 HydrophobicContact CD2-CG2 4.08Å; L489-V504 HydrophobicContact CG-CG2 4.23Å
505V79.1Confident77.1Confident7 Ų773.1 Ų73.14%0.04243%0.429CS..EExtended strand (participates in β ladder)trans-74.4-39175.5172.50000110.6V423 F439 F449 V488 A490 C503V423-V505 HydrophobicContact CG2-CG1 4.26Å; F439-V505 HydrophobicContact CD2-CB 4.5Å; F439-V505 HydrophobicContact CD2-CG1 3.85Å; F439-V505 HydrophobicContact CD2-CG2 4.08Å; F439-V505 HydrophobicContact CE2-CG1 4.41Å; F439-V505 HydrophobicContact CE2-CG2 4.04Å; F449-V505 HydrophobicContact CD1-CG2 4.29Å; F449-V505 HydrophobicContact CE1-CG2 4.06Å; V488-V505 HydrophobicContact CB-CB 4.2Å; V488-V505 HydrophobicContact CG1-CB 4.19Å; V488-V505 HydrophobicContact CG1-CG2 4.4Å; V488-V505 WeakPolarHBondContact O-CB 3.49Å; V488-V505 PolarHBondContact O-N 3.5Å; A490-V505 HydrophobicContact CB-CG2 3.84Å; C503-V505 PolarHBondContact O-N 3.32Å
506G81.7Confident76.2Confident19 Ų1977.5 Ų77.520%0.19643%0.434CS..EExtended strand (participates in β ladder)trans164.1173.1174.200000111.8V488V488-G506 PolarHBondContact N-O 2.69Å; V488-G506 PolarHBondContact O-N 3.28Å
507C84.5Confident75.4Confident73 Ų7376.8 Ų76.849%0.49343%0.429SS..EExtended strand (participates in β ladder)trans-131.2153174.9-52.40000110.9L486 C487L486-C507 CarbonylContact O-C 3.47Å; L486-C507 WeakPolarHBondContact O-CA 3.36Å; L486-C507 WeakPolarHBondContact O-CB 3.41Å; C487-C507 HydrophobicContact CB-CB 4.06Å; C487-C507 WeakPolarHBondContact CB-SG 3.47Å; C487-C507 WeakPolarHBondContact SG-CB 3.49Å; C487-C507 CovalentContact SG-SG 2.04Å; C487-C507 PolarHBondContact SG-SG 2.69Å
508V86.1Confident74Confident22 Ų2283.2 Ų83.213%0.13344%0.444CS..EExtended strand (participates in β ladder)trans-137.4136.917765.80000109.6V423 I435 L486V423-V508 HydrophobicContact CG1-CB 4.15Å; V423-V508 HydrophobicContact CG1-CG1 3.74Å; I435-V508 HydrophobicContact CD1-CG1 4.2Å; L486-V508 HydrophobicContact CB-CG1 4.34Å; L486-V508 HydrophobicContact CD2-CG1 4.1Å; L486-V508 PolarHBondContact N-O 3.46Å; L486-V508 PolarHBondContact O-N 2.76Å
509Q87.5Confident72.8Confident117 Ų11783.8 Ų83.855%0.54745%0.447SS..EExtended strand (participates in β ladder)trans-104.1133.5171.4-180171.885.100108.4Q483 Y484 D485Q483-Q509 HydrophobicContact CG-CG 4.21Å; Q483-Q509 VanDerWaalsContact NE2-OE1 3.11Å; Y484-Q509 WeakPolarHBondContact O-CA 3.44Å; D485-Q509 VanDerWaalsContact OD1-CB 3.29Å; D485-Q509 WeakPolarHBondContact OD1-CB 3.35Å; D485-Q509 WeakPolarHBondContact OD1-CG 3.23Å; D485-Q509 PolarHBondContact OD1-NE2 2.77Å
510F87.3Confident71.3Confident17 Ų1786 Ų868%0.07545%0.454CS..EExtended strand (participates in β ladder)trans-146.4167.6177.267.6-85.1000110.9T425 A428 A433 I435 L478 Y484 L486T425-F510 HydrophobicContact CG2-CB 4.15Å; T425-F510 HydrophobicContact CG2-CD2 4.35Å; T425-F510 HydrophobicContact CG2-CG 4.09Å; A428-F510 HydrophobicContact CB-CD2 4.24Å; A433-F510 HydrophobicContact CB-CD2 4.09Å; A433-F510 HydrophobicContact CB-CE2 3.38Å; A433-F510 HydrophobicContact CB-CZ 3.69Å; I435-F510 HydrophobicContact CD1-CD1 4.36Å; I435-F510 HydrophobicContact CD1-CE1 4.03Å; L478-F510 HydrophobicContact CD1-CE2 3.84Å; L478-F510 HydrophobicContact CD1-CZ 4.05Å; Y484-F510 HydrophobicContact CD2-CE2 4.25Å; Y484-F510 HydrophobicContact CG-CE2 4.43Å; Y484-F510 HydrophobicContact CG-CZ 4.26Å; Y484-F510 PolarHBondContact N-O 3.11Å; Y484-F510 PolarHBondContact O-N 2.86Å; L486-F510 HydrophobicContact CB-CE1 4.08Å; L486-F510 HydrophobicContact CD1-CE1 4.22Å
511T86.6Confident69.3Low76 Ų7690.8 Ų90.847%0.46647%0.469SS..EExtended strand (participates in β ladder)trans-126.5136.5176.6-48.90000108.2T482 Q483T482-T511 WeakPolarHBondContact O-CA 3.01Å; Q483-T511 HydrophobicContact CB-CG2 4.47Å
512T86.8Confident67.2Low5 Ų597 Ų973%0.03150%0.495CS..  trans-72151.1171.948.70000110.9R429 S430 L478 A479 G481 T482 Y484R429-T512 WeakPolarHBondContact O-CA 3.36Å; R429-T512 VanDerWaalsContact O-CB 3.26Å; R429-T512 WeakPolarHBondContact O-CB 3.28Å; S430-T512 WeakPolarHBondContact O-CB 3.46Å; L478-T512 HydrophobicContact CB-CG2 3.78Å; L478-T512 HydrophobicContact CD1-CG2 3.79Å; L478-T512 HydrophobicContact CG-CG2 4.44Å; A479-T512 WeakPolarHBondContact O-CB 3.46Å; A479-T512 PolarHBondContact O-OG1 3.18Å; G481-T512 WeakPolarHBondContact CA-O 3.24Å; G481-T512 PolarHBondContact N-O 2.92Å; G481-T512 PolarHBondContact N-OG1 3.09Å; T482-T512 PolarHBondContact N-OG1 3.08Å; T482-T512 PolarHBondContact O-N 2.98Å; T482-T512 PolarHBondContact O-OG1 3.17Å; Y484-T512 HydrophobicContact CD2-CG2 4.12Å; Y484-T512 HydrophobicContact CE2-CG2 4Å
513E83.4Confident65.4Low121 Ų121101.4 Ų101.457%0.56551%0.509SS*.  trans-62.8142.3174.9-61.8-176.1127.200110.2R429 S430 G481 E515R429-E513 WeakPolarHBondContact CA-OE2 3.45Å; R429-E513 PolarHBondContact O-N 3.38Å; R429-E513 VanDerWaalsContact O-N 3.1Å; S430-E513 WeakPolarHBondContact CA-O 3.3Å; G481-E513 PolarHBondContact N-O 3.31Å; G481-E513 VanDerWaalsContact N-O 3.09Å; E513-E515 PolarHBondContact O-N 3.43Å; E513-E515 VanDerWaalsContact O-N 3.1Å
514S77.4Confident63.6Low91 Ų91102.6 Ų102.664%0.63652%0.518SS*.  trans-73.7103.6173.343.30000109.5Y516S514-Y516 VanDerWaalsContact C-N 3.34Å; S514-Y516 PolarHBondContact O-N 3.15Å
515E61.7Low62.1Low99 Ų99105.9 Ų105.946%0.46353%0.529SS..  trans-66.498.4171.6-162.5160.7151.400108.4S430 A480 E513 M517S430-E515 WeakPolarHBondContact CB-OE2 3.06Å; S430-E515 PolarHBondContact OG-OE2 2.91Å; A480-E515 HydrophobicContact CB-CB 3.74Å; E513-E515 PolarHBondContact O-N 3.43Å; E513-E515 VanDerWaalsContact O-N 3.1Å; E515-M517 PolarHBondContact O-N 3.21Å
516Y47.2Very low60.4Low213 Ų213114 Ų11484%0.83556%0.564SS**  trans-61.397.4164.2-114.4-86.1000106.8S514 R518S514-Y516 VanDerWaalsContact C-N 3.34Å; S514-Y516 PolarHBondContact O-N 3.15Å; Y516-R518 PolarHBondContact O-N 3.16Å
517M46.3Very low59Low141 Ų141118.3 Ų118.370%0.69558%0.582SS**  trans-62.172.6160.2-78.1-72.4171.600108E515 C519E515-M517 PolarHBondContact O-N 3.21Å; M517-C519 PolarHBondContact O-N 3.1Å
518R36.9Very low57.4Low207 Ų207116.2 Ų116.278%0.78157%0.573SS**  trans-62.495.6160.2-176.3-175.3-160.5114.52.9104Y516 H520Y516-R518 PolarHBondContact O-N 3.16Å; R518-H520 PolarHBondContact O-N 3.11Å
519C37.5Very low56Low116 Ų116117.2 Ų117.278%0.78459%0.588SS**  trans-5888.6179.1-67.50000109.6M517 F521M517-C519 PolarHBondContact O-N 3.1Å; C519-F521 PolarHBondContact O-N 3.23Å
520H34.7Very low54.5Low163 Ų163114.8 Ų114.876%0.75558%0.581SS**  trans-63.387.6152.2-93.7-88.2000105.4R518 M522R518-H520 PolarHBondContact O-N 3.11Å; H520-M522 PolarHBondContact O-N 2.73Å
521F32.5Very low53.1Low182 Ų182118.4 Ų118.480%0.79860%0.599SS**  trans-44.5109.4165.6-172.4-84.3000106.8C519 Q523C519-F521 PolarHBondContact O-N 3.23Å; F521-Q523 PolarHBondContact O-N 3.02Å
522M32.4Very low52.1Low157 Ų157120.9 Ų120.977%0.77361%0.608SS**  trans-56.5113.2-175.9-111.5-72178.900107.4H520 S524H520-M522 PolarHBondContact O-N 2.73Å; M522-S524 PolarHBondContact O-N 3.03Å
523Q42.3Very low51.4Low177 Ų177126.8 Ų126.883%0.82764%0.638SS**  trans-80.347.5-171.9-163.3170.8-21.500111.3F521F521-Q523 PolarHBondContact O-N 3.02Å
524S42.8Very low51Low79 Ų79125 Ų12555%0.55263%0.632SS**  trans-93.5137.3168.352.60000109.6M522M522-S524 PolarHBondContact O-N 3.03Å
525Q48.6Very low51Low141 Ų141125.3 Ų125.366%0.65963%0.625SS**  trans6945.5174.1-49.6-57.5-10.100117.8L527 G528Q525-L527 PolarHBondContact O-N 3.37Å; Q525-G528 PolarHBondContact O-N 2.86Å
526F44.9Very low51.8Low178 Ų178122.1 Ų122.178%0.78162%0.619SS**THydrogen-bonded Turntrans-64.63.6151.8-150.2-94000113
527L51.6Low53.5Low109 Ų109113.9 Ų113.957%0.57160%0.599SS**THydrogen-bonded Turntrans-87.8-17.6166.6-71.295.3000113.7Q525 T530 M531Q525-L527 PolarHBondContact O-N 3.37Å; L527-T530 PolarHBondContact O-OG1 2.86Å; L527-T530 VanDerWaalsContact O-OG1 3.06Å; L527-M531 WeakPolarHBondContact O-CB 3.33Å; L527-M531 VanDerWaalsContact O-CG 3.3Å; L527-M531 WeakPolarHBondContact O-CG 3.34Å; L527-M531 PolarHBondContact O-N 3.27Å
528G50.2Low55.5Low30 Ų30112 Ų11231%0.30959%0.591SS.*Hα-helixtrans-63.9-46.7-178.200000112.5Q525 T530 M531 I532Q525-G528 PolarHBondContact O-N 2.86Å; G528-T530 PolarHBondContact O-N 2.83Å; G528-M531 PolarHBondContact O-N 2.04Å; G528-I532 VanDerWaalsContact O-CG1 3.29Å; G528-I532 WeakPolarHBondContact O-CG1 3.47Å; G528-I532 PolarHBondContact O-N 3.4Å
529G56.5Low57.8Low43 Ų43107 Ų10744%0.44358%0.579SS.*Hα-helixtrans-64-39.9179.200000113.5I533G529-I533 WeakPolarHBondContact O-CD1 3.41Å; G529-I533 VanDerWaalsContact O-CG1 3.28Å; G529-I533 WeakPolarHBondContact O-CG1 3.09Å; G529-I533 PolarHBondContact O-N 3.1Å
530T57.8Low60.2Low65 Ų65105.7 Ų105.740%0.39957%0.567SS.*Hα-helixtrans-70.7-39.2177470000112L527 G528 I533 I534L527-T530 PolarHBondContact O-OG1 2.86Å; L527-T530 VanDerWaalsContact O-OG1 3.06Å; G528-T530 PolarHBondContact O-N 2.83Å; T530-I533 PolarHBondContact O-N 3.45Å; T530-I534 WeakPolarHBondContact O-CB 3.48Å; T530-I534 WeakPolarHBondContact O-CD1 3.32Å; T530-I534 VanDerWaalsContact O-CG1 3.23Å; T530-I534 WeakPolarHBondContact O-CG1 3.48Å; T530-I534 PolarHBondContact O-N 3.46Å
531M56.9Low62.3Low93 Ų93100.4 Ų100.446%0.45855%0.551SS.*Hα-helixtrans-62.3-43.1173.2-73.2-64.8117.400112.2L527 G528 I533 I534 I535L527-M531 WeakPolarHBondContact O-CB 3.33Å; L527-M531 VanDerWaalsContact O-CG 3.3Å; L527-M531 WeakPolarHBondContact O-CG 3.34Å; L527-M531 PolarHBondContact O-N 3.27Å; G528-M531 PolarHBondContact O-N 2.04Å; M531-I533 PolarHBondContact O-N 2.8Å; M531-I534 HydrophobicContact CE-CD1 3.98Å; M531-I534 PolarHBondContact O-N 3.15Å; M531-I535 WeakPolarHBondContact O-CB 3.49Å; M531-I535 VanDerWaalsContact O-CG1 3.26Å; M531-I535 WeakPolarHBondContact O-CG1 3.44Å; M531-I535 PolarHBondContact O-N 2.99Å
532I66.5Low64.9Low128 Ų12895.1 Ų95.166%0.65654%0.537SS*.Hα-helixtrans-62.2-42.1176.4-69.4164.8000111.2G528 G536G528-I532 VanDerWaalsContact O-CG1 3.29Å; G528-I532 WeakPolarHBondContact O-CG1 3.47Å; G528-I532 PolarHBondContact O-N 3.4Å; I532-G536 PolarHBondContact O-N 2.94Å
533I72.1Confident67.3Low129 Ų12991.3 Ų91.366%0.66252%0.522SS*.Hα-helixtrans-66.3-40.6176.7-69.8166.4000111.5G529 T530 M531 G537G529-I533 WeakPolarHBondContact O-CD1 3.41Å; G529-I533 VanDerWaalsContact O-CG1 3.28Å; G529-I533 WeakPolarHBondContact O-CG1 3.09Å; G529-I533 PolarHBondContact O-N 3.1Å; T530-I533 PolarHBondContact O-N 3.45Å; M531-I533 PolarHBondContact O-N 2.8Å; I533-G537 PolarHBondContact O-N 3.41Å
534I73.8Confident69.1Low85 Ų8587.4 Ų87.444%0.43651%0.507SS..Hα-helixtrans-67.9-48.8178.9-71.6163.8000110.9T530 M531 G537 I538T530-I534 WeakPolarHBondContact O-CB 3.48Å; T530-I534 WeakPolarHBondContact O-CD1 3.32Å; T530-I534 VanDerWaalsContact O-CG1 3.23Å; T530-I534 WeakPolarHBondContact O-CG1 3.48Å; T530-I534 PolarHBondContact O-N 3.46Å; M531-I534 HydrophobicContact CE-CD1 3.98Å; M531-I534 PolarHBondContact O-N 3.15Å; I534-G537 PolarHBondContact O-N 3.33Å; I534-I538 HydrophobicContact CG2-CD1 3.8Å; I534-I538 VanDerWaalsContact O-CG1 3.28Å; I534-I538 WeakPolarHBondContact O-CG1 3.49Å; I534-I538 PolarHBondContact O-N 3.34Å
535I78Confident71.2Confident96 Ų9687.7 Ų87.749%0.49251%0.505SS..Hα-helixtrans-64.2-46.2179.6-66.3165.7000110.3M531 G537 I538 I539M531-I535 WeakPolarHBondContact O-CB 3.49Å; M531-I535 VanDerWaalsContact O-CG1 3.26Å; M531-I535 WeakPolarHBondContact O-CG1 3.44Å; M531-I535 PolarHBondContact O-N 2.99Å; I535-G537 VanDerWaalsContact C-N 3.34Å; I535-G537 PolarHBondContact O-N 2.88Å; I535-I538 PolarHBondContact O-N 2.81Å; I535-I539 HydrophobicContact CG2-CD1 3.9Å; I535-I539 WeakPolarHBondContact O-CG1 3.22Å; I535-I539 PolarHBondContact O-N 3.27Å
536G78.7Confident72.9Confident33 Ų3387 Ų8734%0.3450%0.5SS..Hα-helixtrans-60.6-40.9174.600000112.8I532 I539 V540I532-G536 PolarHBondContact O-N 2.94Å; G536-I539 PolarHBondContact O-N 2.72Å; G536-V540 WeakPolarHBondContact O-CG2 3.13Å; G536-V540 PolarHBondContact O-N 3.48Å
537G82.2Confident74.8Confident40 Ų4082.5 Ų82.541%0.41248%0.483SS..Hα-helixtrans-62.8-43175.100000113.2I533 I534 I535 V540 A541I533-G537 PolarHBondContact O-N 3.41Å; I534-G537 PolarHBondContact O-N 3.33Å; I535-G537 VanDerWaalsContact C-N 3.34Å; I535-G537 PolarHBondContact O-N 2.88Å; G537-V540 PolarHBondContact O-N 3.38Å; G537-A541 VanDerWaalsContact O-CB 3.28Å; G537-A541 WeakPolarHBondContact O-CB 3.43Å; G537-A541 PolarHBondContact O-N 2.75Å
538I88.3Confident76.1Confident102 Ų10281.8 Ų81.852%0.52348%0.479SS..Hα-helixtrans-63.5-43.6176-70164.1000110.8I534 I535 A541 S542I534-I538 HydrophobicContact CG2-CD1 3.8Å; I534-I538 VanDerWaalsContact O-CG1 3.28Å; I534-I538 WeakPolarHBondContact O-CG1 3.49Å; I534-I538 PolarHBondContact O-N 3.34Å; I535-I538 PolarHBondContact O-N 2.81Å; I538-A541 PolarHBondContact O-N 2.99Å; I538-S542 WeakPolarHBondContact O-CB 3.18Å; I538-S542 PolarHBondContact O-N 2.83Å; I538-S542 PolarHBondContact O-OG 3.44Å
539I85.7Confident77.6Confident101 Ų10184.3 Ų84.352%0.51848%0.484SS..Hα-helixtrans-62.5-49.1177.6-68.1164.9000110.4I535 G536 A541 S542 V543I535-I539 HydrophobicContact CG2-CD1 3.9Å; I535-I539 WeakPolarHBondContact O-CG1 3.22Å; I535-I539 PolarHBondContact O-N 3.27Å; G536-I539 PolarHBondContact O-N 2.72Å; I539-A541 PolarHBondContact O-N 3.12Å; I539-S542 PolarHBondContact O-N 2.9Å; I539-V543 WeakPolarHBondContact O-CG2 3.44Å; I539-V543 PolarHBondContact O-N 2.63Å
540V87.3Confident78.4Confident89 Ų8986.6 Ų86.654%0.53949%0.486SS..Hα-helixtrans-62.5-41.8179.1170.50000111.7G536 G537 L544G536-V540 WeakPolarHBondContact O-CG2 3.13Å; G536-V540 PolarHBondContact O-N 3.48Å; G537-V540 PolarHBondContact O-N 3.38Å; V540-L544 HydrophobicContact CG1-CD1 4.06Å; V540-L544 WeakPolarHBondContact O-CB 3.45Å; V540-L544 WeakPolarHBondContact O-CG 3.43Å; V540-L544 PolarHBondContact O-N 3.02Å
541A80.1Confident79.1Confident51 Ų5189.2 Ų89.242%0.42150%0.495SS..Hα-helixtrans-63.2-42.6174.900000112.2G537 I538 I539 L544 V545G537-A541 VanDerWaalsContact O-CB 3.28Å; G537-A541 WeakPolarHBondContact O-CB 3.43Å; G537-A541 PolarHBondContact O-N 2.75Å; I538-A541 PolarHBondContact O-N 2.99Å; I539-A541 PolarHBondContact O-N 3.12Å; A541-L544 PolarHBondContact O-N 2.79Å; A541-V545 WeakPolarHBondContact O-CG2 3.3Å; A541-V545 PolarHBondContact O-N 2.73Å
542S85.4Confident80Confident71 Ų7189.4 Ų89.450%0.49750%0.497SS..Hα-helixtrans-63.6-44.1178.7-57.30000111.7I538 I539 V545 F546I538-S542 WeakPolarHBondContact O-CB 3.18Å; I538-S542 PolarHBondContact O-N 2.83Å; I538-S542 PolarHBondContact O-OG 3.44Å; I539-S542 PolarHBondContact O-N 2.9Å; S542-V545 PolarHBondContact O-N 2.99Å; S542-F546 WeakPolarHBondContact O-CB 3.39Å; S542-F546 PolarHBondContact O-N 2.82Å
543V83.4Confident80.2Confident78 Ų7891.9 Ų91.947%0.47350%0.498SS..Hα-helixtrans-64.2-41.6175.8171.50000111.3I539 F546 I547I539-V543 WeakPolarHBondContact O-CG2 3.44Å; I539-V543 PolarHBondContact O-N 2.63Å; V543-F546 PolarHBondContact O-N 2.9Å; V543-I547 HydrophobicContact CG1-CD1 3.79Å; V543-I547 HydrophobicContact CG1-CG1 4.46Å; V543-I547 VanDerWaalsContact O-CG1 3.28Å; V543-I547 WeakPolarHBondContact O-CG1 3.42Å; V543-I547 PolarHBondContact O-N 3.45Å
544L80.6Confident79.9Confident95 Ų9594 Ų9450%0.49750%0.499SS..Hα-helixtrans-63.1-43.1175-83.1166.5000112.6V540 A541 I547 I548V540-L544 HydrophobicContact CG1-CD1 4.06Å; V540-L544 WeakPolarHBondContact O-CB 3.45Å; V540-L544 WeakPolarHBondContact O-CG 3.43Å; V540-L544 PolarHBondContact O-N 3.02Å; A541-L544 PolarHBondContact O-N 2.79Å; L544-I547 PolarHBondContact O-N 2.9Å; L544-I548 WeakPolarHBondContact O-CB 3.45Å; L544-I548 VanDerWaalsContact O-CG1 3.26Å; L544-I548 WeakPolarHBondContact O-CG1 3.5Å; L544-I548 PolarHBondContact O-N 3.43Å
545V86.8Confident79.1Confident84 Ų8498 Ų9851%0.50951%0.513SS..Hα-helixtrans-62.5-42.5175169.10000110.9A541 S542 I548 I549A541-V545 WeakPolarHBondContact O-CG2 3.3Å; A541-V545 PolarHBondContact O-N 2.73Å; S542-V545 PolarHBondContact O-N 2.99Å; V545-I548 PolarHBondContact O-N 2.88Å; V545-I549 HydrophobicContact CG1-CD1 3.78Å; V545-I549 HydrophobicContact CG1-CG1 4.45Å; V545-I549 VanDerWaalsContact O-CG1 3.29Å; V545-I549 WeakPolarHBondContact O-CG1 3.3Å; V545-I549 PolarHBondContact O-N 2.85Å
546F84.3Confident78.2Confident128 Ų12898.6 Ų98.656%0.56152%0.521SS*.Hα-helixtrans-62.2-44.6175.9-173.6-107.1000112.4S542 V543 I548 I549 L550S542-F546 WeakPolarHBondContact O-CB 3.39Å; S542-F546 PolarHBondContact O-N 2.82Å; V543-F546 PolarHBondContact O-N 2.9Å; F546-I548 VanDerWaalsContact C-N 3.34Å; F546-I548 PolarHBondContact O-N 3.11Å; F546-I549 PolarHBondContact O-N 3.19Å; F546-L550 HydrophobicContact CD1-CD1 3.87Å; F546-L550 HydrophobicContact CE1-CD1 3.55Å; F546-L550 HydrophobicContact CE1-CG 4.31Å; F546-L550 HydrophobicContact CZ-CD1 4.11Å; F546-L550 HydrophobicContact CZ-CG 4.49Å; F546-L550 WeakPolarHBondContact O-CG 3.46Å; F546-L550 PolarHBondContact O-N 2.81Å
547I85Confident76.8Confident82 Ų82102.2 Ų102.242%0.42154%0.54SS..Hα-helixtrans-61-42.2174.3-69.8165.5000111V543 L544 L550 M551V543-I547 HydrophobicContact CG1-CD1 3.79Å; V543-I547 HydrophobicContact CG1-CG1 4.46Å; V543-I547 VanDerWaalsContact O-CG1 3.28Å; V543-I547 WeakPolarHBondContact O-CG1 3.42Å; V543-I547 PolarHBondContact O-N 3.45Å; L544-I547 PolarHBondContact O-N 2.9Å; I547-L550 PolarHBondContact O-N 3.29Å; I547-M551 HydrophobicContact CG2-CG 4.31Å; I547-M551 WeakPolarHBondContact O-CB 3.27Å; I547-M551 WeakPolarHBondContact O-CG 3.37Å; I547-M551 PolarHBondContact O-N 2.86Å
548I79.4Confident75.4Confident95 Ų95105.8 Ų105.849%0.48755%0.55SS..Hα-helixtrans-65.5-41177.2-71.2165.5000111.1L544 V545 F546 L550 M551 I552L544-I548 WeakPolarHBondContact O-CB 3.45Å; L544-I548 VanDerWaalsContact O-CG1 3.26Å; L544-I548 WeakPolarHBondContact O-CG1 3.5Å; L544-I548 PolarHBondContact O-N 3.43Å; V545-I548 PolarHBondContact O-N 2.88Å; F546-I548 VanDerWaalsContact C-N 3.34Å; F546-I548 PolarHBondContact O-N 3.11Å; I548-L550 VanDerWaalsContact C-N 3.34Å; I548-L550 PolarHBondContact O-N 2.85Å; I548-M551 PolarHBondContact O-N 2.91Å; I548-I552 HydrophobicContact CG2-CD1 3.74Å; I548-I552 HydrophobicContact CG2-CG1 4.39Å; I548-I552 WeakPolarHBondContact O-CB 3.49Å; I548-I552 VanDerWaalsContact O-CG1 3.26Å; I548-I552 WeakPolarHBondContact O-CG1 3.28Å; I548-I552 PolarHBondContact O-N 3.23Å
549I81.7Confident73.6Confident83 Ų83106.5 Ų106.543%0.42656%0.56SS.*Hα-helixtrans-62.8-41.2174.7-70.3165.8000111V545 F546 I552 R553V545-I549 HydrophobicContact CG1-CD1 3.78Å; V545-I549 HydrophobicContact CG1-CG1 4.45Å; V545-I549 VanDerWaalsContact O-CG1 3.29Å; V545-I549 WeakPolarHBondContact O-CG1 3.3Å; V545-I549 PolarHBondContact O-N 2.85Å; F546-I549 PolarHBondContact O-N 3.19Å; I549-I552 PolarHBondContact O-N 3.44Å; I549-R553 PolarHBondContact O-N 3.4Å
550L73.2Confident71.6Confident91 Ų91104.8 Ų104.848%0.47657%0.568SS.*Hα-helixtrans-64.1-44.6173.7-73.7174.4000112F546 I547 I548 I552 R553 Y554F546-L550 HydrophobicContact CD1-CD1 3.87Å; F546-L550 HydrophobicContact CE1-CD1 3.55Å; F546-L550 HydrophobicContact CE1-CG 4.31Å; F546-L550 HydrophobicContact CZ-CD1 4.11Å; F546-L550 HydrophobicContact CZ-CG 4.49Å; F546-L550 WeakPolarHBondContact O-CG 3.46Å; F546-L550 PolarHBondContact O-N 2.81Å; I547-L550 PolarHBondContact O-N 3.29Å; I548-L550 VanDerWaalsContact C-N 3.34Å; I548-L550 PolarHBondContact O-N 2.85Å; L550-I552 VanDerWaalsContact C-N 3.33Å; L550-I552 PolarHBondContact O-N 3.36Å; L550-R553 PolarHBondContact O-N 3.33Å; L550-Y554 VanDerWaalsContact O-CB 3.26Å; L550-Y554 WeakPolarHBondContact O-CB 3.5Å; L550-Y554 PolarHBondContact O-N 2.92Å
551M72.1Confident69.4Low119 Ų119110.3 Ų110.359%0.58659%0.588SS**Hα-helixtrans-62.6-38.4175.8-67.6-121.173.300112.2I547 I548 K555I547-M551 HydrophobicContact CG2-CG 4.31Å; I547-M551 WeakPolarHBondContact O-CB 3.27Å; I547-M551 WeakPolarHBondContact O-CG 3.37Å; I547-M551 PolarHBondContact O-N 2.86Å; I548-M551 PolarHBondContact O-N 2.91Å; M551-K555 VanDerWaalsContact O-CB 3.28Å; M551-K555 WeakPolarHBondContact O-CB 3.32Å; M551-K555 PolarHBondContact O-N 3.29Å
552I75.6Confident67.3Low97 Ų97111.3 Ų111.350%0.49760%0.603SS.*Hα-helixtrans-67.3-47.3175.4-71167.5000110.3I548 I549 L550 Y554 K555 V556I548-I552 HydrophobicContact CG2-CD1 3.74Å; I548-I552 HydrophobicContact CG2-CG1 4.39Å; I548-I552 WeakPolarHBondContact O-CB 3.49Å; I548-I552 VanDerWaalsContact O-CG1 3.26Å; I548-I552 WeakPolarHBondContact O-CG1 3.28Å; I548-I552 PolarHBondContact O-N 3.23Å; I549-I552 PolarHBondContact O-N 3.44Å; L550-I552 VanDerWaalsContact C-N 3.33Å; L550-I552 PolarHBondContact O-N 3.36Å; I552-Y554 PolarHBondContact O-N 2.88Å; I552-K555 PolarHBondContact O-N 3.45Å; I552-K555 VanDerWaalsContact O-N 3.17Å; I552-V556 HydrophobicContact CG2-CG2 4.21Å; I552-V556 WeakPolarHBondContact O-CB 3.26Å; I552-V556 VanDerWaalsContact O-CG2 3.3Å; I552-V556 WeakPolarHBondContact O-CG2 3.43Å; I552-V556 PolarHBondContact O-N 3.26Å
553R69.5Low65.1Low180 Ų180111.4 Ų111.468%0.67962%0.615SS**Hα-helixtrans-61.1-43.8175.9-78-171.9169.5-161.7-2.9112I549 L550 K555 V556 C557I549-R553 PolarHBondContact O-N 3.4Å; L550-R553 PolarHBondContact O-N 3.33Å; R553-K555 VanDerWaalsContact C-N 3.26Å; R553-K555 PolarHBondContact O-N 2.83Å; R553-V556 PolarHBondContact O-N 2.87Å; R553-C557 WeakPolarHBondContact O-CB 3.45Å; R553-C557 PolarHBondContact O-N 3.05Å; R553-C557 PolarHBondContact O-SG 3.45Å
554Y66.6Low62.7Low174 Ų174117.6 Ų117.668%0.68264%0.636SS**Hα-helixtrans-58.8-36.5175.1-170.8-97.7000112.5L550 I552L550-Y554 VanDerWaalsContact O-CB 3.26Å; L550-Y554 WeakPolarHBondContact O-CB 3.5Å; L550-Y554 PolarHBondContact O-N 2.92Å; I552-Y554 PolarHBondContact O-N 2.88Å
555K57.6Low60.4Low169 Ų169116.7 Ų116.774%0.73565%0.649SS**Hα-helixtrans-81.5-28.9178.2-164.8170.3-174.9174.70114M551 I552 R553M551-K555 VanDerWaalsContact O-CB 3.28Å; M551-K555 WeakPolarHBondContact O-CB 3.32Å; M551-K555 PolarHBondContact O-N 3.29Å; I552-K555 PolarHBondContact O-N 3.45Å; I552-K555 VanDerWaalsContact O-N 3.17Å; R553-K555 VanDerWaalsContact C-N 3.26Å; R553-K555 PolarHBondContact O-N 2.83Å
556V57.9Low57.9Low108 Ų108119.5 Ų119.566%0.65567%0.667SS**Hα-helixtrans-74.8-33.1174.1168.40000111.2I552 R553 N558I552-V556 HydrophobicContact CG2-CG2 4.21Å; I552-V556 WeakPolarHBondContact O-CB 3.26Å; I552-V556 VanDerWaalsContact O-CG2 3.3Å; I552-V556 WeakPolarHBondContact O-CG2 3.43Å; I552-V556 PolarHBondContact O-N 3.26Å; R553-V556 PolarHBondContact O-N 2.87Å; V556-N558 PolarHBondContact O-N 3.1Å
557C49.6Very low55.2Low109 Ų109118.1 Ų118.174%0.73667%0.673SS**THydrogen-bonded Turntrans-75.44174.7-66.70000114.6R553R553-C557 WeakPolarHBondContact O-CB 3.45Å; R553-C557 PolarHBondContact O-N 3.05Å; R553-C557 PolarHBondContact O-SG 3.45Å
558N53.8Low52.5Low116 Ų116123.3 Ų123.362%0.6270%0.698SS**  trans-147.474.3-177-151.110.9000114.7V556V556-N558 PolarHBondContact O-N 3.1Å
559P49.2Very low50Low116 Ų116123.9 Ų123.975%0.75371%0.71SS**  trans-95.4124178.234.9-30.8000114.2
560G44Very low47.8Very low65 Ų65127.6 Ų127.667%0.6773%0.727SS**  trans88.9149.9179.900000113
561E41.3Very low45.7Very low206 Ų206129.9 Ų129.996%0.96375%0.745SS**  cis-142.9173.50.7-78.2-170.893.700108.4
562G36.9Very low44Very low71 Ų71130.5 Ų130.573%0.73275%0.751SS**  cis169.834.60.700000115.8
563G38.4Very low42Very low74 Ų74131.4 Ų131.476%0.76376%0.761SS**  trans91.2175.9177.700000115.3
564K32.6Very low40.3Very low207 Ų207129.9 Ų129.990%0.976%0.761SS**  cis-146.3137.87.3-64.5172.3179.5169.90112.3
565G33.3Very low38.8Very low76 Ų76126.2 Ų126.278%0.78476%0.761SS**  trans74.1160.5158.700000117.3
566V33.3Very low37.8Very low144 Ų144124.9 Ų124.987%0.87376%0.757SS**  cis-142.9139.4-6.61730000109.6
567S27.2Very low36.8Very low98 Ų98124.9 Ų124.969%0.68576%0.757SS**  trans12125.6161.7-166.70000120.9
568M29.8Very low36.1Very low192 Ų192127 Ų12795%0.94676%0.761SS**  -119143.4121.4-69.5-154.280.400109.3
569S26.5Very low35Very low106 Ų106125 Ų12574%0.74177%0.768SS**  trans-80.3141.5-169-164.40000113.3
570M35.2Very low34.2Very low161 Ų161127.1 Ų127.179%0.79377%0.768SS**  trans-73.6156.2155.7-72.3-178.8165.900111
571T30.3Very low33.8Very low140 Ų140131.7 Ų131.786%0.85977%0.772SS**  trans-159.1149134.432.20000110.9
572N35.6Very low33.4Very low132 Ų132126 Ų12671%0.70676%0.755SS**  cis-162.5179.5-45.5-150.4-16000109.3
573V33.6Very low33.2Very low115 Ų115132 Ų13270%0.69776%0.764SS**  trans69.2105.5155.9166.20000115.7
574H34.2Very low32.6Very low148 Ų148132 Ų13269%0.68576%0.764SS**  85.2153.676.1-95.449.1000113.8Q576H574-Q576 PolarHBondContact CD2-NE2 3.14Å; H574-Q576 PolarHBondContact NE2-NE2 3.23Å
575S34.7Very low32.3Very low97 Ų97127.6 Ų127.668%0.67876%0.758SS**  cis-146144.115.351.20000111.9
576Q35.5Very low31.8Very low142 Ų142130 Ų13066%0.66476%0.758SS**  62150.1103-48.3179.3800115.8H574H574-Q576 PolarHBondContact CD2-NE2 3.14Å; H574-Q576 PolarHBondContact NE2-NE2 3.23Å
577T37.6Very low31.5Very low107 Ų107128.9 Ų128.966%0.65675%0.751SS**  cis-152.31473248.20000115
578N34.6Very low31.5Very low153 Ų153130.2 Ų130.282%0.81876%0.755SS**  trans41.4150.9132.8-47.8-11000121.8
579G31.5Very low32Very low74 Ų74127.3 Ų127.376%0.76375%0.751SS**  cis153.7176.85.900000109.8
580Q33.2Very low32.1Very low161 Ų161127.5 Ų127.575%0.75275%0.752SS**  cis-172174.4-15.3-151.1-179-21.500109.7
581Q35.5Very low31.8Very low161 Ų161125.3 Ų125.375%0.75275%0.753SS**  trans71.3165.8155.7-72163.41.300120.7
582S32.3Very low31.9Very low88 Ų88123 Ų12362%0.61574%0.742SS**  cis-177.4151.4-39.463.30000115.9
583H33.1Very low31.6Very low195 Ų195125.9 Ų125.990%0.90375%0.748SS**  trans63.1141.1145.7-67.8-56.1000125.9
584G26.3Very low31.3Very low75 Ų75129.3 Ų129.377%0.77376%0.756SS**  trans120.9146.7150.400000117.4
585C24.4Very low31Very low115 Ų115125.6 Ų125.678%0.77776%0.758SS**  cis-168.2135.4-19.4-141.70000115
586T24.1Very low30.6Very low126 Ų126126.2 Ų126.277%0.77376%0.762SS**  trans63.4161.1145.848.30000125.9
587V26.8Very low30.3Very low121 Ų121126.8 Ų126.873%0.73378%0.775SS**  trans84.3102.4164.8-169.80000115.9
588T26.5Very low29.7Very low125 Ų125124.8 Ų124.877%0.76778%0.776SS**  72.4144.960.368.20000114
589P39.7Very low29.4Very low132 Ų132124.7 Ų124.786%0.85778%0.775SS**  cis-129.9177.437.942.3-25.5000118.5
590S28.8Very low29.2Very low109 Ų109127.8 Ų127.876%0.76277%0.773SS**  trans-121.2156.2-172.256.90000112.9
591S29.8Very low28.9Very low116 Ų116126.6 Ų126.681%0.81177%0.772SS**  trans165.7157.8136.3460000112.1
592S31.6Very low28.6Very low92 Ų92125.4 Ų125.464%0.64377%0.771SS**  cis-170.5168.8-28.659.70000110.1
593K29Very low28.4Very low191 Ų191125.9 Ų125.983%0.8377%0.774SS**  trans73.9160.2166.4-59.4173.9-177.5178.50117.9
594H29.2Very low28.1Very low188 Ų188121.6 Ų121.687%0.8777%0.772SS**  -170.1132.3-50.3-131.7-74.1000109.6
595G26.8Very low28.2Very low70 Ų70121.5 Ų121.572%0.72277%0.771SS**  trans75.2167.9172.800000115.4
596S27.4Very low28.4Very low109 Ų109124 Ų12476%0.76278%0.776SS**  cis-172.3137.8-12.849.80000111.5
597V27.8Very low28.6Very low154 Ų154123.4 Ų123.493%0.93377%0.772SS**  trans65.5146.4161.3178.50000116.9
598G26.1Very low28.8Very low65 Ų65127 Ų12767%0.6778%0.778SS**  trans116.183.1150.900000117.4
599L28.5Very low28.7Very low152 Ų152131.4 Ų131.480%0.79679%0.786SS**  22.8133.2122.4-152.471.1000119.6
600D26.3Very low28.2Very low138 Ų138130 Ų13074%0.73878%0.78SS**  trans25.6139.6146.8-39.6-22.1000119.1
601D26.3Very low28.3Very low136 Ų136129.9 Ų129.973%0.72778%0.779SS**  cis-175.3-178.843.4-161.92.6000112
602L29.9Very low28.5Very low137 Ų137129 Ų12972%0.71778%0.778SS**  trans56.4108.7147.9-82.1165.6000122.4
603S27.3Very low28.5Very low98 Ų98130.8 Ų130.869%0.68579%0.785SS**  64.6102.6114.1177.90000122.2
604A28.5Very low28.6Very low104 Ų104128 Ų12886%0.8678%0.784SS**  62.1158.2128.900000121.3
605G27.1Very low28.8Very low73 Ų73122.8 Ų122.875%0.75377%0.773SS**  trans158.653.817200000119.2T607G605-T607 PolarHBondContact O-N 2.89Å
606L27.9Very low28.9Very low169 Ų169126.4 Ų126.489%0.88578%0.781SS**  trans-44.4127.6162.4-78.1148.4000111.5
607T29.1Very low28.8Very low113 Ų113124.3 Ų124.369%0.69378%0.776SS**  175.7152.678.334.40000114G605G605-T607 PolarHBondContact O-N 2.89Å
608K30.7Very low29.9Very low197 Ų197123.6 Ų123.686%0.85778%0.775SS**  trans32.4126.6140.7-59.1177.3177.71780121.3
609K25.9Very low30Very low216 Ų216124.3 Ų124.394%0.93978%0.782SS**  -157.9-176.3112-114.4171-176.21770112.5
610S28.7Very low30.1Very low103 Ų103124.8 Ų124.872%0.7278%0.78SS**  trans-140.3156.9-152.2-170.60000115
611S30.8Very low30.4Very low106 Ų106125.2 Ų125.274%0.74178%0.776SS**  trans85.3150.4150.3-53.90000121
612A32.9Very low30.6Very low97 Ų97125.4 Ų125.480%0.80278%0.777SS**  trans83.5142.5153.400000119.9
613V32.4Very low30.6Very low130 Ų130122.9 Ų122.979%0.78878%0.776SS**  cis-170.3153-23.993.10000111.8
614V31Very low30.8Very low133 Ų133125.8 Ų125.881%0.80678%0.783SS**  trans66.4149.7155.7159.40000120.2
615A34.1Very low30.7Very low78 Ų78125.9 Ų125.965%0.64577%0.773SS**  cis-173.7-168.6-28.400000111.8
616V28.3Very low30.7Very low147 Ų147130.9 Ų130.989%0.89178%0.777SS**  trans96.1134.1162.1-167.50000117.4
617G24.7Very low30.7Very low64 Ų64127.7 Ų127.766%0.6677%0.768SS**  trans-103.9-140.2177.900000113
618P51.8Low30.7Very low139 Ų139127.5 Ų127.590%0.90377%0.772SS**  cis-134.2-171.712.443.7-26.9000115.1
619G27.4Very low30.5Very low80 Ų80126.1 Ų126.183%0.82577%0.774SS**  trans149.6118.9157.500000118.6
620E30.8Very low30.4Very low162 Ų162122 Ų12276%0.75777%0.77SS**  trans-70.8168.6173.6-69.3175.6105.200114.3
621K31.9Very low30.4Very low148 Ų148122.3 Ų122.364%0.64377%0.773SS**  cis-170165.4-7.1-114.7171.2178.1159.50112.2
622D30.6Very low30.4Very low140 Ų140123.9 Ų123.975%0.74978%0.778SS**  trans51.9141.3142.9-58.3-17.3000122.5
623A31.8Very low30.1Very low84 Ų84123.9 Ų123.969%0.69478%0.778SS**  cis-172.3176.4-9.100000113.2
624L30Very low29.9Very low159 Ų159124 Ų12483%0.83278%0.779SS**  trans105.4133147.8-74.9160.9000123.9
625T26.9Very low29.8Very low106 Ų106122.8 Ų122.865%0.6578%0.777SS**  trans76110.1150.737.20000123.8
626Q27.8Very low29.5Very low178 Ų178125.5 Ų125.583%0.83279%0.785SS**  56.7147.1123.9-69.5173.1-13.700120.8
627S27.9Very low29.6Very low101 Ų101125.6 Ų125.671%0.70678%0.78SS**  cis176.9154.3-11.450.50000108.9
628S29.1Very low29.8Very low110 Ų110127.5 Ų127.577%0.76978%0.783SS**  cis-176.5139.4-1550.10000109.7
629D26.8Very low28.9Very low167 Ų167129.3 Ų129.389%0.89378%0.779SS**  trans-86.9171.7-177.1-64.3-65.9000115.4
630C23.6Very low29Very low129 Ų129130.2 Ų130.287%0.87277%0.773SS**  trans-150.8142.1165.1-166.20000112.6
631S27.6Very low28.7Very low110 Ų110134.5 Ų134.577%0.76978%0.782SS**  trans-137.3149.7-173.1-67.60000114.1
632T30.4Very low28.6Very low140 Ų140131.7 Ų131.786%0.85979%0.787SS**  trans-20143.7163.1-35.80000119
633A27Very low28.4Very low96 Ų96129.5 Ų129.579%0.79379%0.788SS**  trans156.5178.7132.300000113.1
634T29.4Very low28Very low132 Ų132137.1 Ų137.181%0.8180%0.799SS**  trans-135.7157.5-155.9-29.70000114.1
635S28.8Very low28Very low108 Ų108135 Ų13576%0.75580%0.797SS**  trans97157.6142.178.60000122.9
636V28Very low28.8Very low135 Ų135135.2 Ų135.282%0.81880%0.8SS**  trans89.5157.6166.2-165.70000118.2
637L29.9Very low28.8Very low149 Ų149132.7 Ų132.778%0.7880%0.797SS**  trans-104.7154.6-151.2-80.371.1000116.5
638S29.4Very low28.8Very low104 Ų104133 Ų13373%0.72781%0.806SS**  trans37.3153.1131.6-42.30000122.3
639Q32.8Very low28.6Very low177 Ų177131.8 Ų131.883%0.82781%0.81SS**  cis-154165.126.3-70.4-178.3-15.700114.1
640S28.1Very low28.6Very low99 Ų99127.7 Ų127.769%0.69281%0.808SS**  trans70158.8155.178.60000118.2
641W25.1Very low28.9Very low253 Ų253130.2 Ų130.296%0.95881%0.807SS**  cis-133.7-163.84.5-132.4-47.7000111.2
642A28.8Very low28.9Very low89 Ų89130.8 Ų130.874%0.73680%0.801SS**  trans-125.8161.8-161.500000115.3
643A27Very low28.9Very low93 Ų93133.5 Ų133.577%0.76980%0.796SS**  167.1161.5115.800000115.8
644R24.6Very low29Very low245 Ų245133.1 Ų133.193%0.92578%0.78SS**  trans76.7105.7158.6-68.8-177.4175.5-177.5-1.9121.6
645S29.9Very low28.9Very low113 Ų113135.4 Ų135.479%0.7978%0.779SS**  trans-71.8169.9138.2-29.40000110.6
646P42.1Very low28.8Very low112 Ų112136.8 Ų136.873%0.72778%0.783SS**  -157.8168.278.942.4-21.7000119.5
647T27.8Very low28.8Very low125 Ų125134.4 Ų134.477%0.76778%0.777SS**  trans57.7113.3144.150.10000124.8
648A28.1Very low28.6Very low107 Ų107135.2 Ų135.288%0.88478%0.776SS**  69.7142.9112.800000124
649G25.8Very low28.5Very low84 Ų84138.3 Ų138.387%0.86678%0.78SS**  trans139143.415100000117
650G26.4Very low28.3Very low81 Ų81141 Ų14184%0.83578%0.782SS**  trans114.3107.1144.300000119.5
651E29.5Very low29.2Very low183 Ų183140.9 Ų140.986%0.85578%0.779SS**  trans-74.4175.3179.8-66.1147.4111.400118
652D28.7Very low29.5Very low121 Ų121135.9 Ų135.965%0.64777%0.77SS**  trans77.8105.8137.9-89.814.1000125.6
653R30.8Very low29.5Very low198 Ų198137.9 Ų137.975%0.74777%0.774SS**  85.9138.8109.5-78.3170.295.6163.55.9126.5
654D29Very low29.5Very low88 Ų88136.6 Ų136.647%0.47177%0.769SS.*  trans64.6102.1136.8-77.2-58.1000123.2
655K26.5Very low29.8Very low180 Ų180132.5 Ų132.578%0.78377%0.771SS**  79.8171.6120.5-74.3-179.3-177.2115.80122.2
656V26.8Very low29.6Very low137 Ų137130.4 Ų130.483%0.8377%0.768SS**  trans75.5109.1177.5-1660000113.2
657A27.3Very low29.1Very low84 Ų84130.7 Ų130.769%0.69477%0.772SS**  cis95.2148.824.800000115.3
658E26.6Very low29.9Very low166 Ų166130.7 Ų130.778%0.77677%0.774SS**  trans67.8156.7-177.2-63.7-167.182.200115.5
659Q26.5Very low29.9Very low170 Ų170132 Ų13279%0.79477%0.772SS**  cis-142171.19.1-142153.252.500113.7
660R29.3Very low30.2Very low233 Ų233132.3 Ų132.388%0.87977%0.766SS**  trans-99.8-156.9178.9-125.9-176.6-164.1176.65.8108.2
661P47.2Very low30.3Very low96 Ų96133.2 Ų133.262%0.62377%0.765SS**  cis-137.6-157.6-14.921.37.4000113.7
662L30Very low30.2Very low148 Ų148130.4 Ų130.478%0.77577%0.766SS**  trans83.2149.8151.3-57.5-173.1000119.7
663T28.7Very low30.1Very low132 Ų132127.7 Ų127.781%0.8177%0.766SS**  cis-167.2162.3-37.8170000109.7
664G28.6Very low29.8Very low65 Ų65123.5 Ų123.567%0.6777%0.767SS**  trans124.8113.4166.300000112.4
665V29.4Very low29.7Very low159 Ų159125.7 Ų125.796%0.96478%0.778SS**  71.9121.956.5-177.30000112
666G26.5Very low29.9Very low70 Ų70125.2 Ų125.272%0.72278%0.779SS**  cis-170.6-166.73.200000115
667S31.2Very low30.3Very low118 Ų118127.9 Ų127.983%0.82578%0.779SS**  trans-79176.4-176.2-46.20000113.8
668P45.4Very low31.1Very low125 Ų125129.2 Ų129.281%0.81278%0.78SS**  -141.3163.299.939.4-27.4000117.7
669T28.5Very low31.3Very low135 Ų135130.7 Ų130.783%0.82879%0.785SS**  trans-68.5172.7163.837.40000113
670A31.4Very low31.4Very low89 Ų89134 Ų13474%0.73679%0.789SS**  cis-173.2-170.5-16.300000109.2
671A28.8Very low31.7Very low101 Ų101131.9 Ų131.984%0.83579%0.787SS**  trans69.8162.5162.600000117.5
672S27.4Very low31.4Very low123 Ų123133.4 Ų133.486%0.8680%0.797SS**  cis-170.3154.8-30.8178.50000109
673G25.4Very low31.6Very low64 Ų64130.3 Ų130.366%0.6679%0.792SS**  trans111100.9149.600000120.5
674S25.5Very low32.9Very low110 Ų110129.6 Ų129.677%0.76979%0.79SS**  72.5135.4115.8-139.90000124.5
675L27Very low32.9Very low134 Ų134133.3 Ų133.370%0.70280%0.8SS**  trans99.2124.8132.7-128.672.5000123.4
676H29.5Very low33.1Very low170 Ų170134.3 Ų134.379%0.78779%0.794SS**  trans74.3129150.7-73-19.2000124.7
677K35.3Very low34.3Very low194 Ų194135.7 Ų135.784%0.84379%0.79SS**  trans-93.5172.1157.1-63174.6176.2174.60109.7
678P44.8Very low34Very low111 Ų111138.3 Ų138.372%0.72179%0.789SS**  -141135.7117.833.9-20.2000116.4
679K30.5Very low33.3Very low198 Ų198136.7 Ų136.786%0.86178%0.781SS**  59.7150.6126.9-56.1173.8-177.6175.20119.1
680R29.3Very low33.2Very low238 Ų238141.6 Ų141.690%0.89878%0.784SS**  cis-132.815715.1-71.9176.9165.5155.9-4.9113.1
681K35.5Very low33.7Very low189 Ų189142.4 Ų142.482%0.82278%0.781SS**  trans-113.2171.2146.8-86-166.8174.3-173.20108
682P41.5Very low35Very low129 Ų129143 Ų14384%0.83878%0.777SS**  -133.6177.910139.2-30.6000114.6
683A32.6Very low36Very low82 Ų82143.5 Ų143.568%0.67878%0.777SS**  trans-156.7-173172.700000106
684P57.7Low36Very low117 Ų117145.2 Ų145.276%0.7678%0.779SS**  cis-130.3-168.6-7.842.9-26.7000112.9
685V28Very low36.5Very low144 Ų144145 Ų14587%0.87378%0.777SS**  trans-174.1149.4134.8143.10000110.2
686Q33.1Very low37.4Very low179 Ų179145 Ų14584%0.83679%0.786SS**  trans-164.1176.6177.6-116.1-168.820.500106.9
687P52.3Low37.4Very low99 Ų99145.9 Ų145.964%0.64378%0.782SS**  cis-134.8-142.6-0.829.1-2.1000112.8
688E25.5Very low37.8Very low174 Ų174142.6 Ų142.681%0.81378%0.78SS**  trans83.3154.3159.2-63.4-169.9145.300121.6
689S29.3Very low37.2Very low90 Ų90142.4 Ų142.463%0.62977%0.773SS**  -174.2138.6-51.353.60000114.4
690R27.7Very low38.3Very low239 Ų239138.4 Ų138.490%0.90277%0.767SS**  trans59.5-175.8149.8-92.4-173.6176.2-148.5-0.9118.1
691P40.3Very low38.4Very low105 Ų105132 Ų13268%0.68276%0.759SS**  cis-126.2-163.8-44.638.4-20000111.8
692P56.8Low38.1Very low113 Ų113128.2 Ų128.273%0.73476%0.756SS**  trans-94.8176.9179.640.8-35000113.3
693P47.6Very low37.8Very low135 Ų135128.2 Ų128.288%0.87775%0.754SS**  -153.8-134.79342.8-21.4000115.2
694S27.1Very low39.1Very low99 Ų99130 Ų13069%0.69276%0.758SS**  trans-113.7151.8-156.7540000117.6
695S35.9Very low38Very low105 Ų105129 Ų12973%0.73476%0.755SS**  trans26138.2147.565.90000121.8
696P44.2Very low38.4Very low135 Ų135127.3 Ų127.388%0.87775%0.749SS**  -148-167.492.240.4-23.5000116.3
697R31.5Very low38.4Very low188 Ų188123.4 Ų123.471%0.70975%0.747SS**  trans-105.3173.9-173.5-148.1-162.9-177.2166.13.2112.4
698P43.5Very low38.6Very low125 Ų125124.2 Ų124.281%0.81275%0.753SS**  -144.5-164.896.737.4-19.1000116.6
699L30.5Very low39.1Very low108 Ų108123.1 Ų123.157%0.56575%0.751SS**  trans-116.7-167.3-161.4-104.7170.4000111.4
700P53.5Low39.3Very low114 Ų114125.5 Ų125.574%0.7475%0.753SS**  cis-100.8-170.94.244.2-36.1000112.8
701S31.4Very low39.4Very low103 Ų103120.4 Ų120.472%0.7274%0.743SS**  cis-142.6-175.35.4-430000108.9
702S31.1Very low39Very low110 Ų110123 Ų12377%0.76975%0.75SS**  cis-143.3-153.5-4.962.70000110
703T34.5Very low37.7Very low128 Ų128123.9 Ų123.979%0.78575%0.749SS**  trans-159.1174.4-161.650.40000113.1
704P59.2Low36.8Very low119 Ų119122.6 Ų122.677%0.77374%0.739SS**  cis-118.1-141.8-0.537.5-17.1000111.2
705S34.1Very low36.8Very low98 Ų98124.6 Ų124.669%0.68574%0.742SS**  cis-168.7158.81.631.30000110.1
706S37.1Very low36.6Very low107 Ų107130 Ų13075%0.74875%0.746SS**  cis-177.5107.6-33.649.60000113.2
707A34Very low35.8Very low97 Ų97130 Ų13080%0.80274%0.739SS**  trans71.2168.114400000120.1
708P55.9Low35.7Very low117 Ų117128.1 Ų128.176%0.7674%0.743SS**  cis-123.7-155.8-4.347.4-32.1000110.9
709L35.3Very low35Very low150 Ų150126.5 Ų126.579%0.78574%0.735SS**  cis-163.3172.6-35.8-12465.7000107
710E33.4Very low35Very low141 Ų141127.9 Ų127.966%0.65975%0.748SS**  cis-147.4-101.3-9.2-157.9-152.411700113.5
711N31.3Very low33.8Very low131 Ų131126.8 Ų126.870%0.70174%0.743SS**  trans-141.8-171.2-163.4-72.4-49.1000112.2
712L31.6Very low33.7Very low159 Ų159129 Ų12983%0.83275%0.746SS**  cis-153.2-154.718.8-141.7137.2000112.6
713N28.2Very low33.6Very low132 Ų132130.1 Ų130.171%0.70674%0.743SS**  trans-134.2157.9-141.2-150.6-1.3000117.8
714T29.3Very low33.3Very low108 Ų108132.3 Ų132.366%0.66374%0.742SS**  trans68.9135.7156.650.20000125.6
715N27.6Very low32Very low142 Ų142132.9 Ų132.976%0.75974%0.744SS**  trans85111.6136.5-83.2-32.9000125.3
716R30.5Very low32.2Very low217 Ų217133.7 Ų133.782%0.81975%0.746SS**  75.3112116.5-149.4176.5-163.9176.14.4122
717N29.2Very low32.4Very low135 Ų135134.1 Ų134.172%0.72275%0.747SS**  trans36.6117.4145.8-53.318.8000121.6
718N27.5Very low32.6Very low149 Ų149134.8 Ų134.880%0.79774%0.743SS**  177.6148.398.1-103.7-5.5000115.4
719S29.8Very low32Very low91 Ų91135 Ų13564%0.63674%0.744SS**  trans52.1141.1141.9-55.20000124.3
720T29.7Very low31.7Very low137 Ų137136.9 Ų136.984%0.8475%0.746SS**  trans64.6146.3153.848.50000119.2
721S28.3Very low31.6Very low91 Ų91135.1 Ų135.164%0.63675%0.745SS**  cis-170.5157.2-16.252.50000112.1
722L30.4Very low31.6Very low149 Ų149135.2 Ų135.278%0.7875%0.752SS**  trans71.1127.5151.7-75.9159000121.7
723N27.8Very low31.6Very low135 Ų135132.2 Ų132.272%0.72275%0.745SS**  trans102134.7131.2-90.3-29.5000123.6
724K29.4Very low32.3Very low173 Ų173130.6 Ų130.675%0.75274%0.741SS**  trans81.994.4144-77.7-178.5177.5-177.50122.5
725T30.7Very low32.3Very low132 Ų132134.6 Ų134.681%0.8175%0.75SS**  74.2160.2126.440.70000119.6
726P40.2Very low32.4Very low114 Ų114134.1 Ų134.174%0.7476%0.758SS**PPolyproline II helixtrans-100.8163.3-141.938.6-38.2000116.5
727P40.5Very low32.5Very low117 Ų117127.3 Ų127.376%0.7676%0.755SS**PPolyproline II helixtrans-84.7154.3170.135.3-35000113.3
728P38.8Very low33.3Very low111 Ų111127 Ų12772%0.72176%0.76SS**PPolyproline II helixtrans-84.1164171.335.7-35.7000112.8
729P43.3Very low33.5Very low120 Ų120128.2 Ų128.278%0.77977%0.766SS**PPolyproline II helixtrans-94.2123-179.934.2-30.8000113
730F28.6Very low33.5Very low191 Ų191132.1 Ų132.184%0.83878%0.779SS**  trans-146.1116.4166.3-104-82.3000114.7
731V31.7Very low33.7Very low103 Ų103129.8 Ų129.862%0.62477%0.773SS**  trans32122.3137.8-175.40000120.3
732P29.7Very low34.3Very low133 Ų133131.7 Ų131.786%0.86478%0.783SS**  trans-95.5121.815434.2-27.6000112.4
733S31.4Very low34.3Very low96 Ų96129.7 Ų129.767%0.67178%0.782SS**  trans-169.5169.4165.370.50000108.6
734P43.1Very low35.3Very low98 Ų98128.2 Ų128.264%0.63678%0.78SS**  cis-133.5-161.15.426.3-0.4000114.2
735F29.7Very low35.6Very low192 Ų192126.2 Ų126.284%0.84278%0.782SS**  trans94.180.5165.9-62.4-67.3000119.6
736S29.9Very low36Very low133 Ų133126 Ų12693%0.9378%0.782SS**  trans-141.2143.4132.5-73.60000109
737G32.2Very low35.6Very low73 Ų73126 Ų12675%0.75379%0.785SS**  trans163.6177.4-176.300000111.7
738P46.2Very low34.9Very low128 Ų128129.8 Ų129.883%0.83180%0.796SS**  cis-112.6175.27.540.5-31.7000114.5
739L31.9Very low34.5Very low175 Ų175135.7 Ų135.792%0.91680%0.803SS**  trans-116.4156.6162.9-85.5167.3000109.9
740L30.5Very low33.8Very low173 Ų173140.3 Ų140.391%0.90681%0.811SS**  trans-126.5139.5170.9-96.2161.6000109.8
741A34.3Very low33.8Very low88 Ų88143 Ų14373%0.72782%0.816SS**  trans-93.7174.7179.100000111.8
742P39.4Very low33.9Very low131 Ų131146.7 Ų146.785%0.85183%0.826SS**  -141.4-169.59638.4-23.3000115.3
743S30.9Very low33.9Very low108 Ų108147 Ų14776%0.75583%0.826SS**  trans-125.1-161.2-161.157.40000111.8
744P49.3Very low34.2Very low103 Ų103147.9 Ų147.967%0.66983%0.83SS**  -132.8-175.3-56.430.3-9.9000114.9
745V35.9Very low33.7Very low132 Ų132150.1 Ų150.180%0.884%0.841SS**  trans62.3160.5162.3-86.30000119.2
746P38.8Very low33.7Very low126 Ų126149 Ų14982%0.81884%0.843SS**  cis-125.51776.642.4-27.6000116.9
747S30.6Very low33.7Very low115 Ų115154 Ų15480%0.80484%0.841SS**  trans-98.6152.5-174.2-390000114.8
748M27.3Very low33.5Very low197 Ų197162.6 Ų162.697%0.9785%0.851SS**  trans-141.7164.9152.9-90.9-134.8175.800112.3
749R28.9Very low32.6Very low235 Ų235160.9 Ų160.989%0.88785%0.848SS**  trans-87.5153.3-163.4-59.3168.9175.2155.4-5113.5
750F30.4Very low33.2Very low216 Ų216158.5 Ų158.595%0.94784%0.843SS**  trans-116.9158.6149.6-98.9-95.8000110.6
751R28.8Very low33Very low248 Ų248162.4 Ų162.494%0.93685%0.846SS**  trans-102.2146.4-179-86.8177.2161.6168.4-7.2111.2
752E32.4Very low32.7Very low180 Ų180163.1 Ų163.184%0.84185%0.851SS**  trans-90156169.5-55.9177.9133.800111.8
753T30.5Very low32.4Very low140 Ų140163.8 Ų163.886%0.85985%0.853SS**  trans157155.2144.138.20000110.4
754P38.2Very low32.2Very low115 Ų115164.4 Ų164.475%0.74786%0.857SS**  -131.1162.7-53.335.8-19.9000112.8
755V31.6Very low31.3Very low144 Ų144164.4 Ų164.487%0.87386%0.859SS**PPolyproline II helixtrans-90.8134173.7176.70000111
756L30.1Very low31Very low168 Ų168163.3 Ų163.388%0.8886%0.858SS**PPolyproline II helixtrans-103.6119172.3-88.9168.5000112
757R29.7Very low30.6Very low238 Ų238161.7 Ų161.790%0.89886%0.855SS**PPolyproline II helixtrans-77154.3167.1-72.3176.2168.4169-5.1110.9
758R27.8Very low30.5Very low255 Ų255164.9 Ų164.996%0.96285%0.854SS**  trans-133.2146.9153.9-128.8175-172.5171.63110.5
759A28.2Very low30.4Very low91 Ų91165.7 Ų165.775%0.75285%0.848SS**  trans-105164.8-171.900000111.2
760P43.4Very low30.3Very low126 Ų126162.3 Ų162.382%0.81884%0.842SS**  trans-83.3173-165.734.6-37000114.2
761R26.6Very low30.1Very low255 Ų255157.7 Ų157.796%0.96283%0.832SS**  trans-135.5153163.6-102.7-174.5171.8-175.6-3.4110.8
762A28.2Very low30Very low103 Ų103153.6 Ų153.685%0.85183%0.828SS**  trans-112.5177.1-170.100000113.5
763V32.4Very low30.3Very low145 Ų145150 Ų15088%0.87982%0.82SS**  trans-63.5142.7-171.1-178.30000114.6
764S26.8Very low30.1Very low121 Ų121149 Ų14985%0.84681%0.814SS**  trans-160171.3145.8-163.40000110.5
765S30.1Very low29.6Very low102 Ų102152.3 Ų152.371%0.71382%0.82SS**  trans-138.6165.9-157.163.30000117.6
766S29.8Very low29.5Very low110 Ų110154.9 Ų154.977%0.76982%0.822SS**  trans83.7146.2154.591.10000121.2
767A29.8Very low29.4Very low92 Ų92150.8 Ų150.876%0.7682%0.82SS**  trans65156.8151.800000119.7
768K28.9Very low29.4Very low182 Ų182143.2 Ų143.279%0.79182%0.817SS**  cis-176.1125.1-37.4-126-171.1-179.8-1770107.4
769Y25.8Very low29.5Very low213 Ų213142.6 Ų142.684%0.83581%0.814SS**  trans60.2169.4171.9-64.3-88000115
770Q26.4Very low29.7Very low164 Ų164143.2 Ų143.277%0.76681%0.813SS**  cis-159.2152.422.9-165.2165.1-8.600112.4
771T27Very low29.3Very low120 Ų120149.1 Ų149.174%0.73682%0.819SS**  trans57.3124.2163.338.10000119.2
772L25.7Very low29.4Very low162 Ų162141.9 Ų141.985%0.84881%0.814SS**  cis59.4146.549.3-72172.7000114.7
773P39.3Very low29.6Very low104 Ų104148.7 Ų148.768%0.67582%0.818SS**  cis-136.7179.520.245.4-28.6000117.6
774T27Very low29.5Very low119 Ų119152.6 Ų152.673%0.7382%0.817SS**  trans25.7146.2144.1590000121.7
775E27.6Very low29.6Very low185 Ų185158 Ų15886%0.86482%0.819SS**  -151.5-171.854.3-107.7-163.6176.300116.7
776E27.8Very low29.6Very low197 Ų197162.8 Ų162.892%0.92182%0.823SS**  trans-78.7169.1-169.4-48.6-172.8133.700115.8
777G29.1Very low29.5Very low82 Ų82162.8 Ų162.885%0.84582%0.823SS**  trans162.8108.1165.200000114.2
778G29.2Very low29.5Very low80 Ų80166.4 Ų166.483%0.82583%0.828SS**  trans-112.9-177.8-175.100000116.5
779R31.1Very low29.5Very low241 Ų241162.9 Ų162.991%0.90983%0.827SS**  trans83.4104.4168.3-66.5-177.3166.8179.1-2.5120.4
780S32.1Very low29.7Very low105 Ų105162.2 Ų162.273%0.73483%0.831SS**  72.2115.6113.5-57.10000123.1
781R33.4Very low29.9Very low249 Ų249164 Ų16494%0.9484%0.84SS**  trans46.7116.8134.2-69-178.3170.3179.6-2.1120.3
782A30.7Very low29.9Very low104 Ų104161.9 Ų161.986%0.8684%0.841SS**  trans-155.9152.1132.400000112.5
783R32.2Very low30.3Very low245 Ų245158.3 Ų158.393%0.92584%0.835SS**  trans-88.2154.3169.1-75.7173.1164169.3-6.3110.7
784R29Very low29.9Very low228 Ų228162.6 Ų162.686%0.8684%0.843SS**  trans-151.9151.8138.8-110.2172.3-141.6-160.95.5111.7
785R29.4Very low30.1Very low234 Ų234162.5 Ų162.588%0.88384%0.842SS**  trans-89.5155.5167.3-62.8174.7177.9161.2-4108.8
786Y29.9Very low30.1Very low203 Ų203162.8 Ų162.880%0.79684%0.843SS**  trans-137.4145.7146.7-88.8-80.4000110.3
787S27.1Very low30.1Very low110 Ų110158.5 Ų158.577%0.76984%0.836SS**  trans-140132.4166.154.60000106.3
788L31.2Very low31.4Very low168 Ų168159.2 Ų159.288%0.8883%0.825SS**  trans-148.9147.1169.6-108.4164.6000108.5
789S29.1Very low31.4Very low108 Ų108162.9 Ų162.976%0.75582%0.821SS**  trans-145.5134.6-171.452.90000108.4
790E29.2Very low31.5Very low199 Ų199157.8 Ų157.893%0.9381%0.807SS**  trans-144.6147.5169.9-114.3175.7168.800109.9
791E31.2Very low31.4Very low202 Ų202163.2 Ų163.294%0.94481%0.811SS**  trans-116.9155.5-174-71.4-169113.300112.3
792G27.4Very low31.2Very low75 Ų75156.5 Ų156.577%0.77381%0.809SS**  trans143.4157.4143.900000115.9
793A33.7Very low31Very low86 Ų86155.4 Ų155.471%0.71181%0.808SS**  cis-169.7169.4-17.500000109.6
794K29.9Very low30.9Very low195 Ų195147.6 Ų147.685%0.84880%0.803SS**  trans73.3150161.3-58.1179.4-178.6173.40116.6
795T31.5Very low31.1Very low116 Ų116140.8 Ų140.871%0.71280%0.796SS**  cis-164172.7-10.318.40000111.9
796Q27.6Very low31.3Very low191 Ų191139 Ų13989%0.89380%0.795SS**  trans96.6148149.6-83.7165.65.700120.9
797S29Very low31.3Very low108 Ų108137.2 Ų137.276%0.75580%0.798SS**  trans-142-162-176.362.50000106.1
798P56.3Low31.4Very low96 Ų96134.9 Ų134.962%0.62379%0.791SS**  cis-141-160.16.632.1-5.1000115.1
799H29.6Very low31.3Very low158 Ų158138.5 Ų138.573%0.73179%0.793SS**  trans73.6151.8159.7-70.3-48.5000119.7
800Q32.4Very low31.3Very low134 Ų134139.6 Ų139.663%0.62680%0.795SS**  cis-165145.8-31.9-151.4-174.760.700112.1
801R29.3Very low31.2Very low219 Ų219139 Ų13983%0.82679%0.794SS**  trans70.7153.3145.9-104177.9-178.5163.2-5.3123
802A29.3Very low31.1Very low107 Ų107139.4 Ų139.488%0.88479%0.787SS**  trans73.6143159.400000119.7
803G26.8Very low31Very low82 Ų82141.9 Ų141.985%0.84578%0.783SS**  cis161.993-1400000118
804G30.5Very low30.7Very low80 Ų80146 Ų14683%0.82579%0.785SS**  trans89.5169.9159.100000117.3
805A33.7Very low30.6Very low85 Ų85147.4 Ų147.470%0.70279%0.785SS**  cis-165.3139.3-9.500000114
806K32.8Very low30.4Very low197 Ų197146.6 Ų146.686%0.85778%0.783SS**  trans64153.5147.7-63.1167.1-175.7173.40116.5
807L29.9Very low30.5Very low166 Ų166146.4 Ų146.487%0.86978%0.783SS**  cis-155158.128.9-160.973.8000108.6
808G28.8Very low30.5Very low60 Ų60146 Ų14662%0.61978%0.78SS**  cis155.7137.7-1300000113.3
809R30.1Very low29.3Very low244 Ų244149.8 Ų149.892%0.92179%0.791SS**  trans72.4129.3174-67.4-176.7170.4179.2-3.2116.3
810V27.6Very low29.3Very low131 Ų131147.2 Ų147.279%0.79479%0.791SS**  cis94.6114.441.9167.90000112.9
811M27.5Very low29.3Very low186 Ų186144.1 Ų144.192%0.91680%0.795SS**  trans-139.8167.9146.2-109.3-59.2-175.500109.5
812R28.7Very low29.3Very low211 Ų211141.8 Ų141.880%0.79680%0.796SS**  trans-148.5142.7-154.6-166.3-175-169.8179.14.6112
813N27.2Very low29.2Very low127 Ų127143.3 Ų143.368%0.67979%0.788SS**  trans72.3144.7155.6-88.7-9.3000121.4
814K27Very low29.2Very low174 Ų174146.6 Ų146.676%0.75779%0.786SS**  trans90.9132.5133.7-87.9175.2-179.8-177.70121.9
815R27.5Very low29Very low224 Ų224147.7 Ų147.785%0.84578%0.781SS**  trans72.4132.2154.5-66.2-177.7166.3168.9-5.9117
816S26.6Very low28.9Very low98 Ų98150.4 Ų150.469%0.68578%0.777SS**  cis110.5105.87.577.50000115.8
817Q31.1Very low28.9Very low188 Ų188148.5 Ų148.588%0.87977%0.771SS**  trans-170.6128.4144.7-100.8158.6-2.900104.4
818S27.1Very low28.9Very low100 Ų100147.9 Ų147.970%0.69976%0.763SS**  cis66.291.722.2-161.40000114.5
819M31.1Very low28.9Very low174 Ų174153 Ų15386%0.85778%0.777SS**  168.6153.5117.4-87.1-147.1-61.400110.8
820S29.9Very low28.7Very low104 Ų104144.7 Ų144.773%0.72777%0.768SS**  cis-170.9146.8-27.4-107.40000110.5
821G32.1Very low28.8Very low70 Ų70145.5 Ų145.572%0.72277%0.767SS**  trans96.4157143.400000118.6
822M29.4Very low28.9Very low170 Ų170141.2 Ų141.284%0.83776%0.755SS**  cis-166.2158.3-10.8-140.9-175.5167.100112.8
823L27.8Very low28.8Very low138 Ų138139.7 Ų139.772%0.72376%0.758SS**  trans71.3144.1161.6-56.4167.8000115.7
824L27.1Very low28.8Very low151 Ų151145 Ų14579%0.79177%0.768SS**  cis-142.7178.43-124.7162.4000111.5
825S26.2Very low28.7Very low103 Ų103140.5 Ų140.572%0.7277%0.771SS**  trans-125.7145.4-158.350.60000116.4
826K32.3Very low28.7Very low143 Ų143141.3 Ų141.362%0.62277%0.774SS**  trans-14.6137.4150.5176.6-172173.3-780118.4E828K826-E828 IonicContact NZ-OE1 3.62Å; K826-E828 PolarHBondContact NZ-OE1 3.26Å
827E31.1Very low28.5Very low157 Ų157142.9 Ų142.973%0.73478%0.783SS**  -173.4128.4126.2-101.9146.6-151.700108.7
828E31Very low28.3Very low152 Ų152143 Ų14371%0.7178%0.781SS**  68.3134.597.1-66.7173.4-161.300112.5K826K826-E828 IonicContact NZ-OE1 3.62Å; K826-E828 PolarHBondContact NZ-OE1 3.26Å
829D28.8Very low28.3Very low167 Ų167143.5 Ų143.589%0.89379%0.785SS**  cis-162.7175.545.5-171.410.6000112
830G26.1Very low28.1Very low71 Ų71141.6 Ų141.673%0.73278%0.778SS**  trans148.3119.9166.500000116.6
831D29.1Very low27.8Very low148 Ų148148.6 Ų148.679%0.79179%0.789SS**  trans-121.3154.5-170-169.716.8000115
832S29.1Very low27.5Very low95 Ų95153.8 Ų153.866%0.66479%0.792SS**  trans35.7127.8155.5-71.20000123
833E27.4Very low27.3Very low180 Ų180154 Ų15484%0.84180%0.796SS**  -168.2175.8112-104.8-105.180.900113.6
834R27.8Very low27.2Very low237 Ų237155.2 Ų155.289%0.89480%0.798SS**  trans-85.2147.8-170.3-70167.5161.8173-3.3115.2
835G24.8Very low27.1Very low80 Ų80153.5 Ų153.583%0.82580%0.798SS**  trans-154.2130.516000000112.6
836R26.1Very low27.2Very low242 Ų242154.5 Ų154.591%0.91380%0.8SS**  trans-149.3108.6-178.4-177.5-156.9-132.4-167.37.1111.4
837C23.5Very low27.1Very low130 Ų130158 Ų15888%0.87883%0.833SS**  trans-173.5164.8139.9-112.70000114.4
838K26.2Very low26.9Very low190 Ų190158.1 Ų158.183%0.82684%0.838SS**  trans-67.2157.5177.7-48.4167.6171.3-172.60113.1
839S27.1Very low26.7Very low111 Ų111158.4 Ų158.478%0.77684%0.844SS**  -160.4146.4112.942.50000112.1
840D26.4Very low26.6Very low135 Ų135157.9 Ų157.972%0.72284%0.842SS**  trans-75.3156.6173-41.2-99.2000111.2
841W25.1Very low26.6Very low250 Ų250163 Ų16395%0.94785%0.848SS**  trans-151.4131.1142.9-88.5111.5000111.2
842F25.1Very low26.5Very low180 Ų180163.9 Ų163.979%0.78985%0.852SS**  trans-70152.8162.2-84.4-123.3000109.8
843L26.1Very low26.3Very low175 Ų175168.5 Ų168.592%0.91686%0.864SS**  -151.6139.8128.7-117.2163.3000111.8
844E25.1Very low26.2Very low163 Ų163167.7 Ų167.776%0.76287%0.866SS**  trans-103.5137.6-172.2179.2175.6-15000108.4
845S24.2Very low26.1Very low115 Ų115162.4 Ų162.480%0.80486%0.864SS**  trans-149.384.8175-173.20000111.3
846T28.3Very low26.2Very low123 Ų123169.3 Ų169.376%0.75587%0.867SS**  trans-35.7132152.432.70000114.5
847V31.4Very low26.2Very low217 Ų217162.6 Ų162.6100%1.31586%0.863SS**  -137.50128.9178.60000106.8

Retrieved 847 of 847 residues in 155.8 ms (Link to these results)

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