A0A7N9CUZ9_MACFA Loading...

Saccharopine dehydrogenase-like oxidoreductase

AlphaFold DB , UniProt , Accession A0A7N9CUZ9, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene SCCPDH, Length 429 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
1M35.6Very low75.2Confident236 Ų23697.4 Ų97.4100%1.16352%0.516SS*.  0130.30-70.2176.3-16300106.7T3M1-T3 PolarHBondContact O-N 3.1Å; M1-T3 VanDerWaalsContact O-N 3.1Å
2A32.7Very low77.2Confident104 Ų10489.3 Ų89.386%0.8647%0.473SS*.  trans-54.7118176.400000108.4E4A2-E4 PolarHBondContact O-N 3.08Å
3T45.2Very low78.8Confident132 Ų13282.8 Ų82.881%0.8144%0.439SS*.  trans-63.1106171.641.80000106.7M1 Q5M1-T3 PolarHBondContact O-N 3.1Å; M1-T3 VanDerWaalsContact O-N 3.1Å; T3-Q5 PolarHBondContact O-N 3.02Å; T3-Q5 VanDerWaalsContact O-N 3.08Å
4E58.9Low80.2Confident178 Ų17877.6 Ų77.683%0.83242%0.415SS*.  trans-48.1121.8159.7-77.6-174.7158.300106.9A2 R6A2-E4 PolarHBondContact O-N 3.08Å; E4-R6 PolarHBondContact O-N 2.92Å
5Q78.2Confident81.4Confident189 Ų18972.5 Ų72.588%0.88339%0.388SS*.  trans-66105.3-173.9-167.4171.311.200107.7T3T3-Q5 PolarHBondContact O-N 3.02Å; T3-Q5 VanDerWaalsContact O-N 3.08Å
6R91.4Very high82.4Confident68 Ų6870.5 Ų70.526%0.25738%0.381SS..  trans-63.6135.4-178.8-62.5-175.7-178.6-106.8-16.1109.2E4 F8 A89 K90 A92 N116 G117E4-R6 PolarHBondContact O-N 2.92Å; R6-F8 PolarHBondContact O-N 3.26Å; R6-A89 PolarHBondContact NH1-O 2.97Å; R6-K90 PolarHBondContact NH1-O 3.25Å; R6-A92 VanDerWaalsContact CD-C 3.44Å; R6-A92 WeakPolarHBondContact CD-O 3.36Å; R6-A92 PolarHBondContact NH1-O 3.21Å; R6-N116 PolarHBondContact NH1-O 2.74Å; R6-N116 PolarHBondContact NH2-O 2.76Å; R6-G117 VanDerWaalsContact NH2-C 3.3Å; R6-G117 PolarHBondContact NH2-O 3.15Å
7P95.3Very high83.2Confident67 Ų6768.1 Ų68.144%0.43538%0.377SS..SBendtrans-65.5-26.4-176.526-35000112.8P41 Q91P7-P41 WeakPolarHBondContact O-CB 3.35Å; P7-Q91 WeakPolarHBondContact CD-O 3.48Å; P7-Q91 HydrophobicContact CG-CB 3.77Å; P7-Q91 HydrophobicContact CG-CG 3.95Å; P7-Q91 WeakPolarHBondContact CG-O 3.37Å
8F97.5Very high83.9Confident32 Ų3266.8 Ų66.814%0.1437%0.367CS..EExtended strand (participates in β ladder)trans-125.3134.2-179.2-52.6-64000112.1R6 V11 P41 A43 I75 Q91 A92 T93R6-F8 PolarHBondContact O-N 3.26Å; F8-V11 HydrophobicContact CB-CG2 3.89Å; F8-V11 HydrophobicContact CD2-CG2 4.29Å; F8-V11 HydrophobicContact CG-CG2 4.35Å; F8-P41 HydrophobicContact CD1-CB 4.39Å; F8-A43 HydrophobicContact CD1-CB 3.94Å; F8-A43 HydrophobicContact CD2-CB 3.89Å; F8-A43 HydrophobicContact CE1-CB 3.96Å; F8-A43 HydrophobicContact CE2-CB 3.93Å; F8-A43 HydrophobicContact CG-CB 3.91Å; F8-A43 HydrophobicContact CZ-CB 3.96Å; F8-I75 HydrophobicContact CD2-CD1 4Å; F8-I75 HydrophobicContact CE2-CD1 3.95Å; F8-I75 HydrophobicContact CE2-CG1 4.34Å; F8-Q91 HydrophobicContact CD2-CB 4.07Å; F8-Q91 HydrophobicContact CE2-CB 4.46Å; F8-Q91 PolarHBondContact N-O 3.14Å; F8-A92 CarbonylContact O-C 3.53Å; F8-A92 WeakPolarHBondContact O-CA 3.29Å; F8-T93 PolarHBondContact O-N 2.77Å; F8-T93 PolarHBondContact O-OG1 2.91Å
9H96.1Very high84.6Confident65 Ų6564.9 Ų64.930%0.30136%0.358SS..EExtended strand (participates in β ladder)trans-76.7-39.8168.4-68.978.9000110.4L40 P41 T93 V94 L386H9-L40 HydrophobicContact CB-CB 4.21Å; H9-L40 HydrophobicContact CB-CD1 4.43Å; H9-L40 HydrophobicContact CB-CD2 4.37Å; H9-P41 PolarHBondContact N-O 3.23Å; H9-T93 WeakPolarHBondContact O-CB 3.36Å; H9-V94 PolarHBondContact O-N 3.47Å; H9-L386 HydrophobicContact CB-CD1 4.15Å
10L97.8Very high85.3Confident0 Ų061.8 Ų61.80%034%0.341CS..EExtended strand (participates in β ladder)trans-125.6136.7-178.7-60.5177.3000111.1V27 L40 W42 A43 V94 A382 M383 L386L10-V27 HydrophobicContact CD1-CG1 4.19Å; L10-L40 HydrophobicContact CD1-CD1 4.46Å; L10-W42 HydrophobicContact CB-CB 3.93Å; L10-W42 CarbonylContact O-C 3.43Å; L10-W42 WeakPolarHBondContact O-CA 3.16Å; L10-W42 VanDerWaalsContact O-CB 3.31Å; L10-W42 WeakPolarHBondContact O-CB 3.43Å; L10-A43 PolarHBondContact O-N 3.29Å; L10-V94 CarbonylContact C-O 3.55Å; L10-V94 WeakPolarHBondContact CA-O 3.37Å; L10-V94 HydrophobicContact CD2-CB 3.98Å; L10-V94 HydrophobicContact CD2-CG2 4.44Å; L10-A382 HydrophobicContact CD2-CB 3.88Å; L10-M383 HydrophobicContact CD1-SD 4.1Å; L10-L386 HydrophobicContact CD2-CD1 3.73Å; L10-L386 HydrophobicContact CG-CD1 4.13Å
11V98.8Very high85.9Confident0 Ų061.6 Ų61.60%034%0.337CS..EExtended strand (participates in β ladder)trans-127.9120.1167.8177.60000109.9F8 F13 A43 A45 I75 M88 A92 V94 V95 L96F8-V11 HydrophobicContact CB-CG2 3.89Å; F8-V11 HydrophobicContact CD2-CG2 4.29Å; F8-V11 HydrophobicContact CG-CG2 4.35Å; V11-F13 PolarHBondContact O-N 3.02Å; V11-A43 CarbonylContact C-O 3.58Å; V11-A43 WeakPolarHBondContact CA-O 3.43Å; V11-A43 HydrophobicContact CG2-CB 4.21Å; V11-A45 HydrophobicContact CG1-CB 3.65Å; V11-I75 HydrophobicContact CG1-CD1 4.16Å; V11-I75 HydrophobicContact CG2-CD1 4.06Å; V11-M88 HydrophobicContact CG1-CG 3.89Å; V11-M88 HydrophobicContact CG1-SD 4.04Å; V11-A92 HydrophobicContact CB-CB 3.99Å; V11-A92 HydrophobicContact CG2-CB 3.47Å; V11-A92 VanDerWaalsContact CG2-CB 3.47Å; V11-V94 PolarHBondContact N-O 3.13Å; V11-V95 WeakPolarHBondContact O-CA 3.28Å; V11-L96 PolarHBondContact O-N 2.86Å
12V98.8Very high88.9Confident0 Ų052 Ų520%029%0.289CS..EExtended strand (participates in β ladder)trans-85.9102.1174.7-174.10000109.4A15 V23 V27 W42 A43 A45 L96V12-A15 HydrophobicContact CB-CB 4.29Å; V12-A15 HydrophobicContact CG1-CB 3.97Å; V12-V23 HydrophobicContact CG1-CB 4.29Å; V12-V23 HydrophobicContact CG1-CG1 3.9Å; V12-V23 HydrophobicContact CG2-CG1 4.22Å; V12-V27 HydrophobicContact CG2-CG2 3.92Å; V12-W42 HydrophobicContact CG2-CE3 4.33Å; V12-W42 HydrophobicContact CG2-CZ3 4.2Å; V12-A43 PolarHBondContact N-O 3.36Å; V12-A45 PolarHBondContact O-N 3.38Å; V12-L96 HydrophobicContact CG2-CD1 4.29Å
13F98.8Very high92Very high5 Ų547 Ų472%0.02225%0.248CC..EExtended strand (participates in β ladder)trans-90.2129.4178.6-178.1-132000111.7V11 A45 C77 I79 L85 M88 V95 L96 C98 V99 V109V11-F13 PolarHBondContact O-N 3.02Å; F13-A45 HydrophobicContact CB-CB 4.45Å; F13-A45 HydrophobicContact CD2-CB 3.94Å; F13-C77 HydrophobicContact CD2-CB 4.21Å; F13-C77 HydrophobicContact CE2-CB 3.78Å; F13-C77 WeakPolarHBondContact CE2-SG 3.25Å; F13-I79 HydrophobicContact CE1-CD1 3.99Å; F13-I79 HydrophobicContact CZ-CB 4.33Å; F13-I79 HydrophobicContact CZ-CD1 4.34Å; F13-L85 HydrophobicContact CE1-CD2 3.95Å; F13-L85 HydrophobicContact CZ-CD2 3.86Å; F13-M88 HydrophobicContact CB-CE 4.06Å; F13-M88 HydrophobicContact CB-SD 3.77Å; F13-M88 HydrophobicContact CD1-CE 4.07Å; F13-M88 HydrophobicContact CD1-SD 4.5Å; F13-M88 HydrophobicContact CD2-CE 4.2Å; F13-M88 HydrophobicContact CD2-SD 3.6Å; F13-M88 HydrophobicContact CE2-SD 4.34Å; F13-M88 HydrophobicContact CG-CE 3.85Å; F13-M88 HydrophobicContact CG-SD 3.71Å; F13-V95 HydrophobicContact CB-CG1 3.94Å; F13-L96 PolarHBondContact N-O 2.85Å; F13-C98 WeakPolarHBondContact O-CB 3.31Å; F13-C98 PolarHBondContact O-N 3.08Å; F13-V99 HydrophobicContact CD1-CB 4.33Å; F13-V99 HydrophobicContact CD1-CG2 3.54Å; F13-V99 HydrophobicContact CD2-CG2 4.41Å; F13-V99 HydrophobicContact CE1-CB 4.1Å; F13-V99 HydrophobicContact CE1-CG2 3.47Å; F13-V99 VanDerWaalsContact CE1-CG2 3.47Å; F13-V99 HydrophobicContact CE2-CG2 4.33Å; F13-V99 HydrophobicContact CG-CG2 4.03Å; F13-V99 HydrophobicContact CZ-CG2 3.9Å; F13-V109 HydrophobicContact CD1-CG1 4.29Å; F13-V109 HydrophobicContact CD1-CG2 3.96Å; F13-V109 HydrophobicContact CE1-CG2 3.63Å
14G98.3Very high94.5Very high11 Ų1140.7 Ų40.711%0.11321%0.209CC..THydrogen-bonded Turntrans83.523.7-169.600000112.6S16 G17 A45G14-S16 PolarHBondContact O-N 3.43Å; G14-S16 VanDerWaalsContact O-N 3.15Å; G14-G17 WeakPolarHBondContact O-CA 3.32Å; G14-G17 PolarHBondContact O-N 3.34Å; G14-A45 PolarHBondContact N-O 3.49Å
15A98.3Very high96.4Very high0 Ų033.4 Ų33.40%018%0.175CC..THydrogen-bonded Turntrans-56.8-29.4-176.600000114.2V12 G17 G20 Q21 T24 V44 A45 L52V12-A15 HydrophobicContact CB-CB 4.29Å; V12-A15 HydrophobicContact CG1-CB 3.97Å; A15-G17 VanDerWaalsContact C-N 3.29Å; A15-G17 PolarHBondContact O-N 2.95Å; A15-G20 CarbonylContact O-C 3.59Å; A15-Q21 PolarHBondContact O-N 3.4Å; A15-Q21 VanDerWaalsContact O-N 3.13Å; A15-T24 WeakPolarHBondContact CB-OG1 3.21Å; A15-V44 HydrophobicContact CB-CB 3.7Å; A15-V44 HydrophobicContact CB-CG1 3.9Å; A15-A45 PolarHBondContact N-O 2.96Å; A15-L52 HydrophobicContact CB-CD2 3.72Å
16S97.3Very high97.3Very high41 Ų4125.1 Ų25.129%0.28714%0.137SC..THydrogen-bonded Turntrans-81.3-2.8174.5670000114.7G14G14-S16 PolarHBondContact O-N 3.43Å; G14-S16 VanDerWaalsContact O-N 3.15Å
17G96.1Very high97.6Very high30 Ų3022 Ų2231%0.30913%0.125SC..SBendtrans-71.3172.7173.700000111.7G14 A15 Q21G14-G17 WeakPolarHBondContact O-CA 3.32Å; G14-G17 PolarHBondContact O-N 3.34Å; A15-G17 VanDerWaalsContact C-N 3.29Å; A15-G17 PolarHBondContact O-N 2.95Å; G17-Q21 WeakPolarHBondContact O-CG 3.38Å; G17-Q21 PolarHBondContact O-N 2.76Å; G17-Q21 PolarHBondContact O-NE2 3.43Å
18F95.9Very high97.6Very high44 Ų4418.8 Ų18.819%0.19310%0.104CC..Hα-helixtrans-62.1-60.1-178.5-166.9-92.5000111.3G20 Q21 F22 H193 Q324 Y371F18-G20 PolarHBondContact O-N 2.84Å; F18-Q21 PolarHBondContact O-N 3Å; F18-F22 HydrophobicContact CD1-CE2 4.17Å; F18-F22 AromaticContact CE1-CE2 3.76Å; F18-F22 HydrophobicContact CE1-CE2 3.76Å; F18-F22 HydrophobicContact CE1-CZ 4.45Å; F18-F22 HydrophobicContact CZ-CE2 4.06Å; F18-F22 HydrophobicContact CZ-CZ 4.47Å; F18-F22 VanDerWaalsContact O-CD2 3.26Å; F18-F22 WeakPolarHBondContact O-CD2 3.32Å; F18-H193 HydrophobicContact CB-CB 4.45Å; F18-H193 HydrophobicContact CD1-CB 3.54Å; F18-H193 AromaticContact CD1-CD2 3.97Å; F18-H193 AromaticContact CD1-CG 3.71Å; F18-H193 AromaticContact CD2-CD2 3.45Å; F18-H193 VanDerWaalsContact CD2-CD2 3.45Å; F18-H193 WeakPolarHBondContact CD2-CD2 3.44Å; F18-H193 HydrophobicContact CE1-CB 3.87Å; F18-H193 HydrophobicContact CG-CB 3.91Å; F18-H193 AromaticContact CG-CD2 3.39Å; F18-H193 WeakPolarHBondContact CG-CD2 3.48Å; F18-H193 AromaticContact CG-CG 3.52Å; F18-H193 AromaticContact CG-NE2 3.96Å; F18-Q324 WeakPolarHBondContact CE2-O 3.11Å; F18-Y371 AromaticContact CD1-CD1 3.77Å; F18-Y371 HydrophobicContact CD1-CD1 3.77Å; F18-Y371 AromaticContact CD1-CE1 3.33Å; F18-Y371 HydrophobicContact CD1-CE1 3.33Å; F18-Y371 AromaticContact CD1-CZ 3.97Å; F18-Y371 AromaticContact CE1-CD1 3.53Å; F18-Y371 HydrophobicContact CE1-CD1 3.53Å; F18-Y371 HydrophobicContact CE1-CD2 4.34Å; F18-Y371 AromaticContact CE1-CE1 3.27Å; F18-Y371 HydrophobicContact CE1-CE1 3.27Å; F18-Y371 HydrophobicContact CE1-CE2 4.13Å; F18-Y371 HydrophobicContact CE1-CG 4.07Å; F18-Y371 AromaticContact CE1-CZ 3.59Å
19T96.4Very high97.5Very high32 Ų3222.7 Ų22.720%0.19612%0.118CC..Hα-helixtrans-67-35.6176.9-48.30000112.7Q21 F22 V23 I123 T374T19-Q21 PolarHBondContact O-N 3.4Å; T19-F22 PolarHBondContact O-N 2.7Å; T19-V23 HydrophobicContact CG2-CG2 4.39Å; T19-V23 PolarHBondContact O-N 3.18Å; T19-I123 HydrophobicContact CG2-CD1 3.44Å; T19-I123 VanDerWaalsContact CG2-CD1 3.44Å; T19-T374 HydrophobicContact CG2-CG2 4.32Å
20G98.1Very high97.3Very high1 Ų119.9 Ų19.91%0.0111%0.105CC..Hα-helixtrans-60-28.6179.900000114.1A15 F18 V23 T24A15-G20 CarbonylContact O-C 3.59Å; F18-G20 PolarHBondContact O-N 2.84Å; G20-V23 PolarHBondContact O-N 2.95Å; G20-T24 WeakPolarHBondContact O-CB 3.14Å; G20-T24 PolarHBondContact O-N 3.06Å; G20-T24 PolarHBondContact O-OG1 3.37Å
21Q98.1Very high96.8Very high59 Ų5920.3 Ų20.328%0.27611%0.107SC..Hα-helixtrans-64.2-43.9173.3-80.5168.186.200111.8A15 G17 F18 T19 T24 E25 V55A15-Q21 PolarHBondContact O-N 3.4Å; A15-Q21 VanDerWaalsContact O-N 3.13Å; G17-Q21 WeakPolarHBondContact O-CG 3.38Å; G17-Q21 PolarHBondContact O-N 2.76Å; G17-Q21 PolarHBondContact O-NE2 3.43Å; F18-Q21 PolarHBondContact O-N 3Å; T19-Q21 PolarHBondContact O-N 3.4Å; Q21-T24 WeakPolarHBondContact O-CB 3.29Å; Q21-T24 PolarHBondContact O-N 3.16Å; Q21-E25 PolarHBondContact O-N 3.04Å; Q21-V55 HydrophobicContact CB-CG1 4.36Å; Q21-V55 HydrophobicContact CG-CB 4.35Å; Q21-V55 HydrophobicContact CG-CG1 3.89Å; Q21-V55 HydrophobicContact CG-CG2 3.53Å
22F98.4Very high96Very high33 Ų3323.9 Ų23.915%0.14513%0.129CC..Hα-helixtrans-70.9-36.8178-62.9-90.8000111.9F18 T19 T24 E25 E26 I331 Y371 P375F18-F22 HydrophobicContact CD1-CE2 4.17Å; F18-F22 AromaticContact CE1-CE2 3.76Å; F18-F22 HydrophobicContact CE1-CE2 3.76Å; F18-F22 HydrophobicContact CE1-CZ 4.45Å; F18-F22 HydrophobicContact CZ-CE2 4.06Å; F18-F22 HydrophobicContact CZ-CZ 4.47Å; F18-F22 VanDerWaalsContact O-CD2 3.26Å; F18-F22 WeakPolarHBondContact O-CD2 3.32Å; T19-F22 PolarHBondContact O-N 2.7Å; F22-T24 VanDerWaalsContact C-N 3.32Å; F22-T24 PolarHBondContact O-N 2.9Å; F22-E25 PolarHBondContact O-N 2.83Å; F22-E26 WeakPolarHBondContact O-CB 3.44Å; F22-E26 PolarHBondContact O-N 2.8Å; F22-I331 HydrophobicContact CE1-CD1 3.99Å; F22-I331 HydrophobicContact CZ-CD1 3.88Å; F22-Y371 WeakPolarHBondContact CD1-O 3.49Å; F22-Y371 AromaticContact CD2-CD1 3.99Å; F22-Y371 HydrophobicContact CD2-CD1 3.99Å; F22-Y371 HydrophobicContact CD2-CG 4.32Å; F22-Y371 AromaticContact CE2-CD1 3.95Å; F22-Y371 HydrophobicContact CE2-CD1 3.95Å; F22-Y371 HydrophobicContact CE2-CG 4.09Å; F22-Y371 WeakPolarHBondContact CG-O 3.35Å; F22-Y371 HydrophobicContact CZ-CG 4.32Å; F22-P375 HydrophobicContact CB-CB 4.4Å; F22-P375 HydrophobicContact CB-CG 3.52Å
23V98.7Very high94.7Very high0 Ų026 Ų260%014%0.14CC..Hα-helixtrans-62.8-40.9172.2176.80000110.9V12 T19 G20 E26 V27 L96 P375 M378 V379V12-V23 HydrophobicContact CG1-CB 4.29Å; V12-V23 HydrophobicContact CG1-CG1 3.9Å; V12-V23 HydrophobicContact CG2-CG1 4.22Å; T19-V23 HydrophobicContact CG2-CG2 4.39Å; T19-V23 PolarHBondContact O-N 3.18Å; G20-V23 PolarHBondContact O-N 2.95Å; V23-E26 PolarHBondContact O-N 3.21Å; V23-V27 HydrophobicContact CG1-CG2 4.46Å; V23-V27 WeakPolarHBondContact O-CG2 3.35Å; V23-V27 PolarHBondContact O-N 2.89Å; V23-L96 HydrophobicContact CG1-CD1 4.18Å; V23-P375 HydrophobicContact CG2-CB 4.23Å; V23-P375 HydrophobicContact CG2-CG 4.27Å; V23-M378 HydrophobicContact CG1-SD 3.97Å; V23-M378 HydrophobicContact CG2-SD 3.95Å; V23-V379 HydrophobicContact CG1-CG2 4.34Å
24T98.6Very high93.1Very high0 Ų032 Ų320%018%0.179CC..Hα-helixtrans-62.1-43.8175.8-58.50000111.6A15 G20 Q21 F22 E26 A28 W42 V44 V55 L56A15-T24 WeakPolarHBondContact CB-OG1 3.21Å; G20-T24 WeakPolarHBondContact O-CB 3.14Å; G20-T24 PolarHBondContact O-N 3.06Å; G20-T24 PolarHBondContact O-OG1 3.37Å; Q21-T24 WeakPolarHBondContact O-CB 3.29Å; Q21-T24 PolarHBondContact O-N 3.16Å; F22-T24 VanDerWaalsContact C-N 3.32Å; F22-T24 PolarHBondContact O-N 2.9Å; T24-E26 VanDerWaalsContact C-N 3.34Å; T24-A28 WeakPolarHBondContact O-CB 3.41Å; T24-A28 PolarHBondContact O-N 2.87Å; T24-W42 HydrophobicContact CG2-CH2 3.77Å; T24-W42 HydrophobicContact CG2-CZ3 3.97Å; T24-V44 HydrophobicContact CG2-CG1 3.6Å; T24-V55 HydrophobicContact CG2-CG1 3.76Å; T24-L56 HydrophobicContact CG2-CD2 4Å
25E97.6Very high91.6Very high24 Ų2438.2 Ų38.211%0.11221%0.205CC..Hα-helixtrans-61.1-43.2174.7-173.5-172.1146.600111.6Q21 F22 A28 R29 K62 L63Q21-E25 PolarHBondContact O-N 3.04Å; F22-E25 PolarHBondContact O-N 2.83Å; E25-A28 WeakPolarHBondContact O-CB 3.37Å; E25-A28 PolarHBondContact O-N 3.04Å; E25-R29 PolarHBondContact O-N 2.82Å; E25-R29 IonicContact OE1-NH2 2.75Å; E25-R29 PolarHBondContact OE1-NH2 3.31Å; E25-K62 WeakPolarHBondContact OE1-CD 3.43Å; E25-K62 WeakPolarHBondContact OE1-CE 3.48Å; E25-K62 IonicContact OE1-NZ 3.83Å; E25-K62 PolarHBondContact OE1-NZ 3.41Å; E25-K62 WeakPolarHBondContact OE2-CD 3.14Å; E25-K62 WeakPolarHBondContact OE2-CE 3.39Å; E25-K62 IonicContact OE2-NZ 3.95Å; E25-K62 PolarHBondContact OE2-NZ 3.48Å; E25-L63 HydrophobicContact CG-CD1 4.3Å; E25-L63 HydrophobicContact CG-CD2 4.29Å; E25-L63 HydrophobicContact CG-CG 4.32Å
26E97.8Very high90.2Very high16 Ų1641 Ų418%0.07522%0.216CC..Hα-helixtrans-69.8-39.8-178.4-171.860.1-166.500112.6F22 V23 T24 A28 R29 E30 P375 I376 V379F22-E26 WeakPolarHBondContact O-CB 3.44Å; F22-E26 PolarHBondContact O-N 2.8Å; V23-E26 PolarHBondContact O-N 3.21Å; T24-E26 VanDerWaalsContact C-N 3.34Å; E26-A28 VanDerWaalsContact C-N 3.28Å; E26-A28 PolarHBondContact O-N 3.22Å; E26-R29 WeakPolarHBondContact O-CB 3.4Å; E26-R29 PolarHBondContact O-N 3.5Å; E26-R29 IonicContact OE2-NE 2.83Å; E26-R29 PolarHBondContact OE2-NE 3.25Å; E26-E30 PolarHBondContact O-N 3.2Å; E26-P375 HydrophobicContact CB-CB 3.82Å; E26-P375 HydrophobicContact CG-CB 4.21Å; E26-I376 HydrophobicContact CG-CG1 4.36Å; E26-V379 HydrophobicContact CB-CG2 3.96Å; E26-V379 HydrophobicContact CG-CB 3.97Å; E26-V379 HydrophobicContact CG-CG1 4.38Å; E26-V379 HydrophobicContact CG-CG2 3.79Å
27V97.3Very high88.4Confident1 Ų145.1 Ų45.11%0.00625%0.245CC..Hα-helixtrans-59.7-42.6170.7175.40000110.3L10 V12 V23 R29 E30 Q31 W42 L96 V379L10-V27 HydrophobicContact CD1-CG1 4.19Å; V12-V27 HydrophobicContact CG2-CG2 3.92Å; V23-V27 HydrophobicContact CG1-CG2 4.46Å; V23-V27 WeakPolarHBondContact O-CG2 3.35Å; V23-V27 PolarHBondContact O-N 2.89Å; V27-R29 VanDerWaalsContact C-N 3.32Å; V27-R29 PolarHBondContact O-N 3.06Å; V27-E30 PolarHBondContact O-N 3.49Å; V27-Q31 WeakPolarHBondContact O-CG 3.46Å; V27-Q31 PolarHBondContact O-N 3.33Å; V27-Q31 VanDerWaalsContact O-N 3.15Å; V27-W42 HydrophobicContact CB-CE3 4.23Å; V27-W42 HydrophobicContact CB-CH2 4.32Å; V27-W42 HydrophobicContact CB-CZ3 4.11Å; V27-W42 HydrophobicContact CG1-CB 4.47Å; V27-W42 HydrophobicContact CG1-CD2 3.48Å; V27-W42 VanDerWaalsContact CG1-CD2 3.48Å; V27-W42 HydrophobicContact CG1-CE3 3.52Å; V27-W42 HydrophobicContact CG1-CG 3.93Å; V27-W42 HydrophobicContact CG1-CH2 4.19Å; V27-W42 HydrophobicContact CG1-CZ2 4.17Å; V27-W42 HydrophobicContact CG1-CZ3 3.88Å; V27-L96 HydrophobicContact CG2-CD1 3.91Å; V27-V379 HydrophobicContact CG2-CG1 4.37Å; V27-V379 HydrophobicContact CG2-CG2 3.58Å
28A95.9Very high87.2Confident0 Ų047.4 Ų47.40%026%0.256CS..Hα-helixtrans-65.7-32.2177.800000113.1T24 E25 E26 W42 L63 R65 L68T24-A28 WeakPolarHBondContact O-CB 3.41Å; T24-A28 PolarHBondContact O-N 2.87Å; E25-A28 WeakPolarHBondContact O-CB 3.37Å; E25-A28 PolarHBondContact O-N 3.04Å; E26-A28 VanDerWaalsContact C-N 3.28Å; E26-A28 PolarHBondContact O-N 3.22Å; A28-W42 HydrophobicContact CB-CH2 4.21Å; A28-W42 HydrophobicContact CB-CZ2 3.9Å; A28-L63 HydrophobicContact CB-CD1 3.58Å; A28-R65 PolarHBondContact O-NH1 3.42Å; A28-L68 HydrophobicContact CB-CD1 3.85Å; A28-L68 HydrophobicContact CB-CD2 3.82Å; A28-L68 HydrophobicContact CB-CG 4.5Å
29R93.8Very high86.4Confident115 Ų11552 Ų5243%0.43427%0.272SS..Hα-helixtrans-67.2-48.4173.2-172.4-175.1-55.1-71.9-5.3111.1E25 E26 V27 Q31 V32 L63E25-R29 PolarHBondContact O-N 2.82Å; E25-R29 IonicContact OE1-NH2 2.75Å; E25-R29 PolarHBondContact OE1-NH2 3.31Å; E26-R29 WeakPolarHBondContact O-CB 3.4Å; E26-R29 PolarHBondContact O-N 3.5Å; E26-R29 IonicContact OE2-NE 2.83Å; E26-R29 PolarHBondContact OE2-NE 3.25Å; V27-R29 VanDerWaalsContact C-N 3.32Å; V27-R29 PolarHBondContact O-N 3.06Å; R29-Q31 PolarHBondContact O-N 3.42Å; R29-V32 PolarHBondContact O-N 2.72Å; R29-V32 VanDerWaalsContact O-N 3.17Å; R29-L63 HydrophobicContact CB-CD2 4.36Å
30E92.1Very high86Confident6 Ų651.1 Ų51.13%0.02827%0.266CS..Hα-helixtrans-59.4-30.7178.8-178.569.1-163.800112.7E26 V27 V32 D33 V379 Q380 M383 R413 H417E26-E30 PolarHBondContact O-N 3.2Å; V27-E30 PolarHBondContact O-N 3.49Å; E30-V32 PolarHBondContact O-N 2.88Å; E30-V32 VanDerWaalsContact O-N 3.09Å; E30-D33 PolarHBondContact O-N 2.81Å; E30-V379 HydrophobicContact CB-CG1 4.04Å; E30-V379 HydrophobicContact CG-CG1 4.17Å; E30-Q380 PolarHBondContact OE2-NE2 2.59Å; E30-M383 HydrophobicContact CG-CE 3.84Å; E30-M383 HydrophobicContact CG-CG 3.9Å; E30-M383 HydrophobicContact CG-SD 4.02Å; E30-M383 WeakPolarHBondContact OE1-CE 3.36Å; E30-R413 IonicContact OE1-CZ 2.72Å; E30-R413 IonicContact OE1-NH2 2.81Å; E30-R413 PolarHBondContact OE1-NH2 3.48Å; E30-R413 IonicContact OE2-NH2 3.78Å; E30-H417 IonicContact OE2-CE1 3.36Å; E30-H417 IonicContact OE2-NE2 3.82Å; E30-H417 PolarHBondContact OE2-NE2 3.13Å
31Q87.3Confident85.8Confident9 Ų954 Ų544%0.04229%0.285CS..THydrogen-bonded Turntrans-64.7-11.4178.3-69-44.2-5300115V27 R29 L40V27-Q31 WeakPolarHBondContact O-CG 3.46Å; V27-Q31 PolarHBondContact O-N 3.33Å; V27-Q31 VanDerWaalsContact O-N 3.15Å; R29-Q31 PolarHBondContact O-N 3.42Å; Q31-L40 PolarHBondContact OE1-O 2.97Å; Q31-L40 VanDerWaalsContact OE1-O 3.13Å
32V81.8Confident85.8Confident75 Ų7551.6 Ų51.646%0.45527%0.273SS..THydrogen-bonded Turntrans-11614.5-177.4-157.50000111.7R29 E30 P34R29-V32 PolarHBondContact O-N 2.72Å; R29-V32 VanDerWaalsContact O-N 3.17Å; E30-V32 PolarHBondContact O-N 2.88Å; E30-V32 VanDerWaalsContact O-N 3.09Å; V32-P34 VanDerWaalsContact O-CD 3.25Å; V32-P34 WeakPolarHBondContact O-CD 3.4Å; V32-P34 VanDerWaalsContact O-N 3.12Å
33D72.7Confident85.8Confident44 Ų4450 Ų5024%0.23527%0.266CS..  trans-56.3117.5174.2-173.8-14.3000110E30 E35 R36E30-D33 PolarHBondContact O-N 2.81Å; D33-E35 PolarHBondContact O-N 3Å; D33-E35 PolarHBondContact OD1-N 3.4Å; D33-R36 HydrophobicContact CB-CB 4.31Å; D33-R36 VanDerWaalsContact O-CB 3.32Å; D33-R36 WeakPolarHBondContact O-CB 3.17Å; D33-R36 PolarHBondContact O-N 2.95Å
34P64.7Low85.8Confident130 Ų13050 Ų5084%0.84427%0.266SS*.THydrogen-bonded Turntrans-59.8-24.5-180-21.932.8000113.7V32 R36V32-P34 VanDerWaalsContact O-CD 3.25Å; V32-P34 WeakPolarHBondContact O-CD 3.4Å; V32-P34 VanDerWaalsContact O-N 3.12Å; P34-R36 PolarHBondContact O-N 2.7Å
35E67.4Low85.8Confident143 Ų14350 Ų5067%0.66827%0.266SS*.THydrogen-bonded Turntrans-74.8-8.8177.8-62.2-170.2166.200112.2D33 K416D33-E35 PolarHBondContact O-N 3Å; D33-E35 PolarHBondContact OD1-N 3.4Å; E35-K416 IonicContact OE1-NZ 2.95Å; E35-K416 IonicContact OE2-NZ 3.18Å; E35-K416 PolarHBondContact OE2-NZ 2.75Å
36R69.4Low85.9Confident57 Ų5749 Ų4922%0.21526%0.263CS..  trans-94.6127-174.5-157175.9-138.4-74.8-11.5112.7D33 P34 S38 N387D33-R36 HydrophobicContact CB-CB 4.31Å; D33-R36 VanDerWaalsContact O-CB 3.32Å; D33-R36 WeakPolarHBondContact O-CB 3.17Å; D33-R36 PolarHBondContact O-N 2.95Å; P34-R36 PolarHBondContact O-N 2.7Å; R36-S38 VanDerWaalsContact C-N 3.35Å; R36-S38 WeakPolarHBondContact CD-O 3.41Å; R36-S38 WeakPolarHBondContact CG-O 3.18Å; R36-S38 PolarHBondContact NH1-O 2.86Å; R36-S38 PolarHBondContact O-N 3.1Å; R36-N387 PolarHBondContact NH2-OD1 2.88Å
37S59.2Low85.8Confident129 Ų12956.8 Ų56.890%0.90229%0.291SS*.SBendtrans-72.3-23-178.5-38.30000114.3
38S69.8Low85.9Confident78 Ų7858 Ų5855%0.54530%0.3SS..SBendtrans-154.7147.6179.263.30000113.1R36R36-S38 VanDerWaalsContact C-N 3.35Å; R36-S38 WeakPolarHBondContact CD-O 3.41Å; R36-S38 WeakPolarHBondContact CG-O 3.18Å; R36-S38 PolarHBondContact NH1-O 2.86Å; R36-S38 PolarHBondContact O-N 3.1Å
39R80.2Confident86Confident139 Ų13964.4 Ų64.453%0.52532%0.324SS..PPolyproline II helixtrans-69.6141.2173.3-63.6-176.6-177.4175.55.1110P41 E71R39-P41 WeakPolarHBondContact O-CD 3.42Å; R39-E71 IonicContact CZ-OE2 3.84Å; R39-E71 IonicContact NH1-OE1 3.89Å; R39-E71 PolarHBondContact NH1-OE1 2.73Å; R39-E71 IonicContact NH1-OE2 2.77Å; R39-E71 PolarHBondContact NH1-OE2 2.9Å
40L87.9Confident86.2Confident15 Ų1564.1 Ų64.18%0.07933%0.328CS..PPolyproline II helixtrans-86.9123.7171-64.6179.5000109.5H9 L10 Q31 W42 M383 L386H9-L40 HydrophobicContact CB-CB 4.21Å; H9-L40 HydrophobicContact CB-CD1 4.43Å; H9-L40 HydrophobicContact CB-CD2 4.37Å; L10-L40 HydrophobicContact CD1-CD1 4.46Å; Q31-L40 PolarHBondContact OE1-O 2.97Å; Q31-L40 VanDerWaalsContact OE1-O 3.13Å; L40-W42 PolarHBondContact O-N 3.32Å; L40-M383 HydrophobicContact CD1-CE 3.62Å; L40-M383 HydrophobicContact CD1-SD 3.73Å; L40-L386 HydrophobicContact CD1-CD1 3.83Å
41P94.1Very high86.5Confident62 Ų6269 Ų6940%0.40335%0.349SS..PPolyproline II helixtrans-52.9126.8165.1-27.734.1000111P7 F8 H9 R39P7-P41 WeakPolarHBondContact O-CB 3.35Å; F8-P41 HydrophobicContact CD1-CB 4.39Å; H9-P41 PolarHBondContact N-O 3.23Å; R39-P41 WeakPolarHBondContact O-CD 3.42Å
42W97.4Very high87Confident7 Ų768.6 Ų68.63%0.02735%0.347CS..EExtended strand (participates in β ladder)trans-145.1161.8178.972.2-74.3000112.1L10 V12 T24 V27 A28 L40 V44 L56 L68 V72 G73L10-W42 HydrophobicContact CB-CB 3.93Å; L10-W42 CarbonylContact O-C 3.43Å; L10-W42 WeakPolarHBondContact O-CA 3.16Å; L10-W42 VanDerWaalsContact O-CB 3.31Å; L10-W42 WeakPolarHBondContact O-CB 3.43Å; V12-W42 HydrophobicContact CG2-CE3 4.33Å; V12-W42 HydrophobicContact CG2-CZ3 4.2Å; T24-W42 HydrophobicContact CG2-CH2 3.77Å; T24-W42 HydrophobicContact CG2-CZ3 3.97Å; V27-W42 HydrophobicContact CB-CE3 4.23Å; V27-W42 HydrophobicContact CB-CH2 4.32Å; V27-W42 HydrophobicContact CB-CZ3 4.11Å; V27-W42 HydrophobicContact CG1-CB 4.47Å; V27-W42 HydrophobicContact CG1-CD2 3.48Å; V27-W42 VanDerWaalsContact CG1-CD2 3.48Å; V27-W42 HydrophobicContact CG1-CE3 3.52Å; V27-W42 HydrophobicContact CG1-CG 3.93Å; V27-W42 HydrophobicContact CG1-CH2 4.19Å; V27-W42 HydrophobicContact CG1-CZ2 4.17Å; V27-W42 HydrophobicContact CG1-CZ3 3.88Å; A28-W42 HydrophobicContact CB-CH2 4.21Å; A28-W42 HydrophobicContact CB-CZ2 3.9Å; L40-W42 PolarHBondContact O-N 3.32Å; W42-V44 HydrophobicContact CE3-CG1 4.4Å; W42-V44 HydrophobicContact CH2-CG1 4.3Å; W42-V44 HydrophobicContact CZ3-CG1 3.64Å; W42-L56 HydrophobicContact CH2-CD2 4.25Å; W42-L68 HydrophobicContact CZ2-CD1 4.21Å; W42-V72 HydrophobicContact CD2-CG1 3.91Å; W42-V72 HydrophobicContact CD2-CG2 4.25Å; W42-V72 VanDerWaalsContact CE2-CG2 3.42Å; W42-V72 HydrophobicContact CE3-CG1 3.9Å; W42-V72 HydrophobicContact CH2-CG1 3.95Å; W42-V72 HydrophobicContact CH2-CG2 4.03Å; W42-V72 HydrophobicContact CZ2-CB 4.3Å; W42-V72 HydrophobicContact CZ2-CG1 3.94Å; W42-V72 HydrophobicContact CZ2-CG2 3.3Å; W42-V72 HydrophobicContact CZ3-CG1 3.93Å; W42-G73 PolarHBondContact O-N 2.93Å
43A98.6Very high87.8Confident0 Ų069 Ų690%034%0.344CS..EExtended strand (participates in β ladder)trans-137158.5179.300000112.8F8 L10 V11 V12 G73 I75F8-A43 HydrophobicContact CD1-CB 3.94Å; F8-A43 HydrophobicContact CD2-CB 3.89Å; F8-A43 HydrophobicContact CE1-CB 3.96Å; F8-A43 HydrophobicContact CE2-CB 3.93Å; F8-A43 HydrophobicContact CG-CB 3.91Å; F8-A43 HydrophobicContact CZ-CB 3.96Å; L10-A43 PolarHBondContact O-N 3.29Å; V11-A43 CarbonylContact C-O 3.58Å; V11-A43 WeakPolarHBondContact CA-O 3.43Å; V11-A43 HydrophobicContact CG2-CB 4.21Å; V12-A43 PolarHBondContact N-O 3.36Å; A43-G73 CarbonylContact C-O 3.44Å; A43-G73 WeakPolarHBondContact CA-O 3.47Å; A43-G73 VanDerWaalsContact CB-O 3.28Å; A43-G73 WeakPolarHBondContact CB-O 3.35Å; A43-I75 HydrophobicContact CB-CD1 4Å; A43-I75 HydrophobicContact CB-CG1 4.15Å
44V98.8Very high89Confident0 Ų073.1 Ų73.10%036%0.356CS..EExtended strand (participates in β ladder)trans-103.2140.1165.5-66.40000109.9A15 T24 W42 L52 L56 V72 G73 I74 I75A15-V44 HydrophobicContact CB-CB 3.7Å; A15-V44 HydrophobicContact CB-CG1 3.9Å; T24-V44 HydrophobicContact CG2-CG1 3.6Å; W42-V44 HydrophobicContact CE3-CG1 4.4Å; W42-V44 HydrophobicContact CH2-CG1 4.3Å; W42-V44 HydrophobicContact CZ3-CG1 3.64Å; V44-L52 HydrophobicContact CB-CD2 4.2Å; V44-L52 HydrophobicContact CG2-CB 4Å; V44-L52 HydrophobicContact CG2-CD2 4.18Å; V44-L52 HydrophobicContact CG2-CG 4.47Å; V44-L56 HydrophobicContact CG1-CD2 3.93Å; V44-L56 HydrophobicContact CG2-CD1 3.97Å; V44-L56 HydrophobicContact CG2-CD2 4.3Å; V44-L56 HydrophobicContact CG2-CG 4.22Å; V44-V72 HydrophobicContact CG1-CG1 4.25Å; V44-V72 HydrophobicContact CG2-CG1 4.48Å; V44-G73 PolarHBondContact N-O 2.89Å; V44-I74 HydrophobicContact CG2-CG1 3.97Å; V44-I74 WeakPolarHBondContact O-CA 3.33Å; V44-I75 PolarHBondContact O-N 3.44Å
45A98.8Very high90.6Very high0 Ų067.4 Ų67.40%032%0.318CS..EExtended strand (participates in β ladder)trans-128.5140-178.100000112.9V11 V12 F13 G14 A15 I75 C77 M88V11-A45 HydrophobicContact CG1-CB 3.65Å; V12-A45 PolarHBondContact O-N 3.38Å; F13-A45 HydrophobicContact CB-CB 4.45Å; F13-A45 HydrophobicContact CD2-CB 3.94Å; G14-A45 PolarHBondContact N-O 3.49Å; A15-A45 PolarHBondContact N-O 2.96Å; A45-I75 VanDerWaalsContact CA-O 3.24Å; A45-I75 WeakPolarHBondContact CA-O 3.31Å; A45-I75 HydrophobicContact CB-CB 4.03Å; A45-C77 HydrophobicContact CB-CB 4.33Å; A45-M88 HydrophobicContact CB-CG 4.23Å; A45-M88 HydrophobicContact CB-SD 3.55Å; A45-M88 VanDerWaalsContact CB-SD 3.55Å
46G98.3Very high92.1Very high3 Ų360.6 Ų60.63%0.03129%0.287CS..EExtended strand (participates in β ladder)trans171.4-178.3178.900000113.3I75 I76 C77G46-I75 PolarHBondContact N-O 2.93Å; G46-I76 WeakPolarHBondContact O-CA 3.32Å; G46-C77 CarbonylContact C-O 3.57Å; G46-C77 WeakPolarHBondContact CA-O 3.28Å; G46-C77 PolarHBondContact O-N 3.36Å
47R97.1Very high93.4Very high180 Ų18063.1 Ų63.168%0.67930%0.301SS*.SBendtrans-77.4-26.5-168.4-64.4180-65.9173.8-2.1115.6C77 D78R47-C77 PolarHBondContact N-O 3Å; R47-D78 VanDerWaalsContact CD-CG 3.46Å; R47-D78 WeakPolarHBondContact CD-OD1 3.2Å; R47-D78 WeakPolarHBondContact CD-OD2 3.39Å; R47-D78 HydrophobicContact CG-CB 3.9Å
48S98.1Very high95.2Very high27 Ų2763.3 Ų63.319%0.18929%0.286CS..  trans-125.4117.1-174.1160.10000110.1E50 K51 L52S48-E50 PolarHBondContact O-N 3.32Å; S48-E50 PolarHBondContact OG-OE2 3.41Å; S48-K51 PolarHBondContact O-N 2.72Å; S48-K51 WeakPolarHBondContact OG-CG 3.48Å; S48-K51 PolarHBondContact OG-N 2.82Å; S48-L52 WeakPolarHBondContact O-CG 3.18Å; S48-L52 PolarHBondContact O-N 3Å; S48-L52 VanDerWaalsContact O-N 3.11Å
49R97.9Very high96.5Very high133 Ų13359.8 Ų59.850%0.50226%0.261SS..Hα-helixtrans-56.8-42.5178.4-160.5172.9-155.7142.46.8111.4K51 L52 Q53 I74 I76R49-K51 VanDerWaalsContact C-N 3.33Å; R49-K51 PolarHBondContact O-N 2.75Å; R49-L52 WeakPolarHBondContact O-CB 3.41Å; R49-L52 PolarHBondContact O-N 2.96Å; R49-Q53 WeakPolarHBondContact O-CG 3.45Å; R49-Q53 PolarHBondContact O-N 3.42Å; R49-I74 HydrophobicContact CG-CG2 4.12Å; R49-I76 HydrophobicContact CB-CD1 3.76Å; R49-I76 HydrophobicContact CG-CD1 4.18Å
50E98.2Very high97.2Very high110 Ų11053.6 Ų53.651%0.51424%0.24SC..Hα-helixtrans-67.8-33.9-176.6-50.570.4-149.600111.4S48 R54S48-E50 PolarHBondContact O-N 3.32Å; S48-E50 PolarHBondContact OG-OE2 3.41Å; E50-R54 WeakPolarHBondContact O-CG 3.5Å; E50-R54 PolarHBondContact O-N 3.33Å; E50-R54 PolarHBondContact O-NE 2.99Å; E50-R54 VanDerWaalsContact O-NE 3.14Å
51K98.3Very high97.6Very high108 Ų10860 Ų6047%0.4727%0.274SS..Hα-helixtrans-71.2-42.5173-72.6-178-176.3-179.10110.9S48 R49 R54 V55S48-K51 PolarHBondContact O-N 2.72Å; S48-K51 WeakPolarHBondContact OG-CG 3.48Å; S48-K51 PolarHBondContact OG-N 2.82Å; R49-K51 VanDerWaalsContact C-N 3.33Å; R49-K51 PolarHBondContact O-N 2.75Å; K51-R54 PolarHBondContact O-N 3.08Å; K51-V55 WeakPolarHBondContact O-CG2 3.21Å; K51-V55 PolarHBondContact O-N 3.37Å
52L98.6Very high97.6Very high0 Ų062.1 Ų62.10%028%0.276CS..Hα-helixtrans-62.3-44.8178.4-64.4171.9000111.5A15 V44 S48 R49 R54 V55 L56 I74 I76A15-L52 HydrophobicContact CB-CD2 3.72Å; V44-L52 HydrophobicContact CB-CD2 4.2Å; V44-L52 HydrophobicContact CG2-CB 4Å; V44-L52 HydrophobicContact CG2-CD2 4.18Å; V44-L52 HydrophobicContact CG2-CG 4.47Å; S48-L52 WeakPolarHBondContact O-CG 3.18Å; S48-L52 PolarHBondContact O-N 3Å; S48-L52 VanDerWaalsContact O-N 3.11Å; R49-L52 WeakPolarHBondContact O-CB 3.41Å; R49-L52 PolarHBondContact O-N 2.96Å; L52-R54 PolarHBondContact O-N 3.05Å; L52-V55 WeakPolarHBondContact O-CB 3.37Å; L52-V55 PolarHBondContact O-N 2.82Å; L52-V55 VanDerWaalsContact O-N 3.11Å; L52-L56 PolarHBondContact O-N 3.36Å; L52-I74 HydrophobicContact CB-CG2 4.35Å; L52-I74 HydrophobicContact CD1-CG2 3.74Å; L52-I76 HydrophobicContact CD1-CD1 4.47Å
53Q98.1Very high97.4Very high83 Ų8363.5 Ų63.539%0.38828%0.284SS..Hα-helixtrans-57.3-46.4174.3-74.2171.4-40.200111.9R49 V55 L56 E57 I74R49-Q53 WeakPolarHBondContact O-CG 3.45Å; R49-Q53 PolarHBondContact O-N 3.42Å; Q53-V55 VanDerWaalsContact C-N 3.27Å; Q53-V55 PolarHBondContact O-N 2.92Å; Q53-L56 PolarHBondContact O-N 3.27Å; Q53-L56 VanDerWaalsContact O-N 3.09Å; Q53-E57 WeakPolarHBondContact O-CG 3.36Å; Q53-E57 PolarHBondContact O-N 3.3Å; Q53-I74 HydrophobicContact CG-CD1 3.72Å
54R98Very high97.3Very high132 Ų13266.5 Ų66.550%0.49832%0.315SS..Hα-helixtrans-61.6-32.3175.9-76.8-177.4-71.7175.9-10.3113.7E50 K51 L52 K58E50-R54 WeakPolarHBondContact O-CG 3.5Å; E50-R54 PolarHBondContact O-N 3.33Å; E50-R54 PolarHBondContact O-NE 2.99Å; E50-R54 VanDerWaalsContact O-NE 3.14Å; K51-R54 PolarHBondContact O-N 3.08Å; L52-R54 PolarHBondContact O-N 3.05Å; R54-K58 WeakPolarHBondContact O-CB 3.47Å; R54-K58 VanDerWaalsContact O-CG 3.25Å; R54-K58 WeakPolarHBondContact O-CG 3.33Å; R54-K58 PolarHBondContact O-N 2.94Å; R54-K58 VanDerWaalsContact O-N 3.11Å
55V98.3Very high97Very high9 Ų967.8 Ų67.86%0.05532%0.32CS..Hα-helixtrans-66.5-46.2173.31760000110.3Q21 T24 K51 L52 Q53 K58 A59Q21-V55 HydrophobicContact CB-CG1 4.36Å; Q21-V55 HydrophobicContact CG-CB 4.35Å; Q21-V55 HydrophobicContact CG-CG1 3.89Å; Q21-V55 HydrophobicContact CG-CG2 3.53Å; T24-V55 HydrophobicContact CG2-CG1 3.76Å; K51-V55 WeakPolarHBondContact O-CG2 3.21Å; K51-V55 PolarHBondContact O-N 3.37Å; L52-V55 WeakPolarHBondContact O-CB 3.37Å; L52-V55 PolarHBondContact O-N 2.82Å; L52-V55 VanDerWaalsContact O-N 3.11Å; Q53-V55 VanDerWaalsContact C-N 3.27Å; Q53-V55 PolarHBondContact O-N 2.92Å; V55-K58 PolarHBondContact O-N 3.04Å; V55-A59 WeakPolarHBondContact O-CB 3.39Å; V55-A59 PolarHBondContact O-N 2.92Å
56L98.3Very high96.6Very high1 Ų173.4 Ų73.41%0.00536%0.356CS..Hα-helixtrans-62.9-42.3178.2-64.2174.7000112T24 W42 V44 L52 Q53 K58 A59 A60 V72 I74T24-L56 HydrophobicContact CG2-CD2 4Å; W42-L56 HydrophobicContact CH2-CD2 4.25Å; V44-L56 HydrophobicContact CG1-CD2 3.93Å; V44-L56 HydrophobicContact CG2-CD1 3.97Å; V44-L56 HydrophobicContact CG2-CD2 4.3Å; V44-L56 HydrophobicContact CG2-CG 4.22Å; L52-L56 PolarHBondContact O-N 3.36Å; Q53-L56 PolarHBondContact O-N 3.27Å; Q53-L56 VanDerWaalsContact O-N 3.09Å; L56-K58 PolarHBondContact O-N 3.01Å; L56-A59 PolarHBondContact O-N 3.22Å; L56-A60 WeakPolarHBondContact O-CB 3.31Å; L56-A60 PolarHBondContact O-N 3.1Å; L56-V72 HydrophobicContact CD1-CB 4.16Å; L56-V72 HydrophobicContact CD1-CG1 4.25Å; L56-V72 HydrophobicContact CD2-CB 4.06Å; L56-V72 HydrophobicContact CD2-CG1 3.84Å; L56-V72 HydrophobicContact CD2-CG2 4.21Å; L56-I74 HydrophobicContact CD1-CD1 4.12Å; L56-I74 HydrophobicContact CD1-CG1 4.15Å
57E97.4Very high96.3Very high110 Ų11076.7 Ų76.751%0.51438%0.376SS..Hα-helixtrans-60.5-43.5175.2-72.2164.1-170.700112.2Q53 A60 L61Q53-E57 WeakPolarHBondContact O-CG 3.36Å; Q53-E57 PolarHBondContact O-N 3.3Å; E57-A60 WeakPolarHBondContact O-CB 3.48Å; E57-A60 PolarHBondContact O-N 2.98Å; E57-L61 WeakPolarHBondContact O-CB 3.5Å; E57-L61 PolarHBondContact O-N 3.24Å
58K96.2Very high96.1Very high132 Ų13268.1 Ų68.157%0.57434%0.344SS*.Hα-helixtrans-64.6-44.4176.2-75.4176-179.1-173.60111.9R54 V55 L56 A60 L61 K62R54-K58 WeakPolarHBondContact O-CB 3.47Å; R54-K58 VanDerWaalsContact O-CG 3.25Å; R54-K58 WeakPolarHBondContact O-CG 3.33Å; R54-K58 PolarHBondContact O-N 2.94Å; R54-K58 VanDerWaalsContact O-N 3.11Å; V55-K58 PolarHBondContact O-N 3.04Å; L56-K58 PolarHBondContact O-N 3.01Å; K58-A60 VanDerWaalsContact C-N 3.35Å; K58-L61 PolarHBondContact O-N 3.05Å; K58-K62 WeakPolarHBondContact O-CB 3.43Å; K58-K62 PolarHBondContact O-N 2.84Å
59A96.9Very high95.8Very high4 Ų469.1 Ų69.13%0.03335%0.351CS..Hα-helixtrans-63.7-42.2176.400000111.1V55 L56 L61 K62 L63 L68V55-A59 WeakPolarHBondContact O-CB 3.39Å; V55-A59 PolarHBondContact O-N 2.92Å; L56-A59 PolarHBondContact O-N 3.22Å; A59-L61 PolarHBondContact O-N 2.89Å; A59-K62 PolarHBondContact O-N 3.42Å; A59-L63 VanDerWaalsContact O-CB 3.29Å; A59-L63 WeakPolarHBondContact O-CB 3.24Å; A59-L63 VanDerWaalsContact O-CG 3.28Å; A59-L63 WeakPolarHBondContact O-CG 3.33Å; A59-L63 PolarHBondContact O-N 3.4Å; A59-L68 HydrophobicContact CB-CD2 3.82Å
60A96.1Very high95.4Very high9 Ų967.7 Ų67.77%0.07436%0.361CS..Hα-helixtrans-56.5-48.9175.100000111.3L56 E57 K58 G64 R65 L68L56-A60 WeakPolarHBondContact O-CB 3.31Å; L56-A60 PolarHBondContact O-N 3.1Å; E57-A60 WeakPolarHBondContact O-CB 3.48Å; E57-A60 PolarHBondContact O-N 2.98Å; K58-A60 VanDerWaalsContact C-N 3.35Å; A60-G64 CarbonylContact O-C 3.48Å; A60-G64 PolarHBondContact O-N 3.32Å; A60-R65 WeakPolarHBondContact CA-O 3.41Å; A60-R65 WeakPolarHBondContact CB-O 3.39Å; A60-R65 PolarHBondContact O-N 2.9Å; A60-L68 HydrophobicContact CB-CB 3.96Å; A60-L68 HydrophobicContact CB-CD2 4.26Å
61L96.2Very high95.1Very high151 Ų15165.6 Ų65.679%0.79135%0.351SS*.Hα-helixtrans-63.1-48.7178.5-177.865.1000111.6E57 K58 A59 L63 G64E57-L61 WeakPolarHBondContact O-CB 3.5Å; E57-L61 PolarHBondContact O-N 3.24Å; K58-L61 PolarHBondContact O-N 3.05Å; A59-L61 PolarHBondContact O-N 2.89Å; L61-L63 VanDerWaalsContact C-N 3.32Å; L61-L63 PolarHBondContact O-N 2.93Å; L61-G64 PolarHBondContact O-N 2.94Å
62K94.2Very high95Very high106 Ų10661 Ų6146%0.46133%0.332SS..Hα-helixtrans-66.2-33.2-176.6-173.9168.8170.1-162.80113E25 K58 A59E25-K62 WeakPolarHBondContact OE1-CD 3.43Å; E25-K62 WeakPolarHBondContact OE1-CE 3.48Å; E25-K62 IonicContact OE1-NZ 3.83Å; E25-K62 PolarHBondContact OE1-NZ 3.41Å; E25-K62 WeakPolarHBondContact OE2-CD 3.14Å; E25-K62 WeakPolarHBondContact OE2-CE 3.39Å; E25-K62 IonicContact OE2-NZ 3.95Å; E25-K62 PolarHBondContact OE2-NZ 3.48Å; K58-K62 WeakPolarHBondContact O-CB 3.43Å; K58-K62 PolarHBondContact O-N 2.84Å; A59-K62 PolarHBondContact O-N 3.42Å
63L94.1Very high94.9Very high36 Ų3661.9 Ų61.919%0.18834%0.341CS..Hα-helixtrans-92.2-3.9179.2-61.3175.4000113.4E25 A28 R29 A59 L61 R65E25-L63 HydrophobicContact CG-CD1 4.3Å; E25-L63 HydrophobicContact CG-CD2 4.29Å; E25-L63 HydrophobicContact CG-CG 4.32Å; A28-L63 HydrophobicContact CB-CD1 3.58Å; R29-L63 HydrophobicContact CB-CD2 4.36Å; A59-L63 VanDerWaalsContact O-CB 3.29Å; A59-L63 WeakPolarHBondContact O-CB 3.24Å; A59-L63 VanDerWaalsContact O-CG 3.28Å; A59-L63 WeakPolarHBondContact O-CG 3.33Å; A59-L63 PolarHBondContact O-N 3.4Å; L61-L63 VanDerWaalsContact C-N 3.32Å; L61-L63 PolarHBondContact O-N 2.93Å; L63-R65 VanDerWaalsContact C-N 3.31Å; L63-R65 HydrophobicContact CB-CB 4.45Å; L63-R65 HydrophobicContact CB-CG 3.97Å; L63-R65 PolarHBondContact O-N 2.92Å
64G95.1Very high95Very high63 Ų6360 Ų6065%0.64933%0.333SS*.THydrogen-bonded Turntrans65.232.1-174.100000113.6A60 L61 P66A60-G64 CarbonylContact O-C 3.48Å; A60-G64 PolarHBondContact O-N 3.32Å; L61-G64 PolarHBondContact O-N 2.94Å; G64-P66 VanDerWaalsContact O-CD 3.3Å; G64-P66 WeakPolarHBondContact O-CD 3.31Å
65R92.5Very high95Very high27 Ų2754.2 Ų54.210%0.10231%0.312CS..  trans-115.877.8-175.1-65.2-169.867.8-162.6-7.9112.1A28 A60 L63 T67 L68 E71A28-R65 PolarHBondContact O-NH1 3.42Å; A60-R65 WeakPolarHBondContact CA-O 3.41Å; A60-R65 WeakPolarHBondContact CB-O 3.39Å; A60-R65 PolarHBondContact O-N 2.9Å; L63-R65 VanDerWaalsContact C-N 3.31Å; L63-R65 HydrophobicContact CB-CB 4.45Å; L63-R65 HydrophobicContact CB-CG 3.97Å; L63-R65 PolarHBondContact O-N 2.92Å; R65-T67 PolarHBondContact O-N 3.18Å; R65-T67 VanDerWaalsContact O-N 3.15Å; R65-L68 HydrophobicContact CB-CB 4.17Å; R65-L68 VanDerWaalsContact O-CB 3.28Å; R65-L68 WeakPolarHBondContact O-CB 3.14Å; R65-L68 PolarHBondContact O-N 2.86Å; R65-L68 VanDerWaalsContact O-N 3.08Å; R65-E71 IonicContact CZ-OE2 2.89Å; R65-E71 IonicContact NH2-OE1 3.94Å; R65-E71 IonicContact NH2-OE2 2.89Å; R65-E71 PolarHBondContact NH2-OE2 2.96Å
66P91.3Very high95Very high118 Ų11858 Ų5877%0.76633%0.33SS*.THydrogen-bonded Turntrans-62.8-25.5-173.525.1-34.7000114.1G64 L68G64-P66 VanDerWaalsContact O-CD 3.3Å; G64-P66 WeakPolarHBondContact O-CD 3.31Å; P66-L68 VanDerWaalsContact C-N 3.34Å
67T91Very high95Very high72 Ų7258 Ų5844%0.44233%0.331SS..THydrogen-bonded Turntrans-84.6-2.217958.40000113.9R65 S69 S70 E71R65-T67 PolarHBondContact O-N 3.18Å; R65-T67 VanDerWaalsContact O-N 3.15Å; T67-S69 VanDerWaalsContact C-N 3.32Å; T67-S69 PolarHBondContact O-N 3Å; T67-S70 PolarHBondContact O-N 2.88Å; T67-S70 VanDerWaalsContact O-N 3.11Å; T67-S70 PolarHBondContact O-OG 3.26Å; T67-E71 WeakPolarHBondContact CB-OE1 3.15Å; T67-E71 WeakPolarHBondContact O-CG 3.28Å; T67-E71 PolarHBondContact O-N 3.36Å; T67-E71 PolarHBondContact OG1-OE1 3.5Å
68L93.3Very high95Very high0 Ų055.2 Ų55.20%032%0.32CS..Hα-helixtrans-55.2-45.6-173.7-177.167000112.2A28 W42 A59 A60 R65 P66 S70 E71 V72A28-L68 HydrophobicContact CB-CD1 3.85Å; A28-L68 HydrophobicContact CB-CD2 3.82Å; A28-L68 HydrophobicContact CB-CG 4.5Å; W42-L68 HydrophobicContact CZ2-CD1 4.21Å; A59-L68 HydrophobicContact CB-CD2 3.82Å; A60-L68 HydrophobicContact CB-CB 3.96Å; A60-L68 HydrophobicContact CB-CD2 4.26Å; R65-L68 HydrophobicContact CB-CB 4.17Å; R65-L68 VanDerWaalsContact O-CB 3.28Å; R65-L68 WeakPolarHBondContact O-CB 3.14Å; R65-L68 PolarHBondContact O-N 2.86Å; R65-L68 VanDerWaalsContact O-N 3.08Å; P66-L68 VanDerWaalsContact C-N 3.34Å; L68-S70 PolarHBondContact O-N 3.28Å; L68-S70 VanDerWaalsContact O-N 3.17Å; L68-E71 PolarHBondContact O-N 3.07Å; L68-V72 HydrophobicContact CD1-CG2 3.89Å; L68-V72 HydrophobicContact CG-CG2 4.22Å; L68-V72 VanDerWaalsContact O-CG2 3.31Å; L68-V72 WeakPolarHBondContact O-CG2 3.48Å; L68-V72 PolarHBondContact O-N 3Å
69S91.4Very high94.9Very high48 Ų4850.5 Ų50.534%0.33630%0.3SS..Hα-helixtrans-62.3-25.6-177-59.30000114.1T67T67-S69 VanDerWaalsContact C-N 3.32Å; T67-S69 PolarHBondContact O-N 3Å
70S89.8Confident94.8Very high103 Ų10354.4 Ų54.472%0.7233%0.332SS*.Hα-helixtrans-85.6-15.817654.10000113.5T67 L68T67-S70 PolarHBondContact O-N 2.88Å; T67-S70 VanDerWaalsContact O-N 3.11Å; T67-S70 PolarHBondContact O-OG 3.26Å; L68-S70 PolarHBondContact O-N 3.28Å; L68-S70 VanDerWaalsContact O-N 3.17Å
71E91.3Very high94.9Very high66 Ų6657.8 Ų57.831%0.30835%0.349SS..Hα-helixtrans-93.1-14.4-177.3-65.5173-163.700112.9R39 R65 T67 L68R39-E71 IonicContact CZ-OE2 3.84Å; R39-E71 IonicContact NH1-OE1 3.89Å; R39-E71 PolarHBondContact NH1-OE1 2.73Å; R39-E71 IonicContact NH1-OE2 2.77Å; R39-E71 PolarHBondContact NH1-OE2 2.9Å; R65-E71 IonicContact CZ-OE2 2.89Å; R65-E71 IonicContact NH2-OE1 3.94Å; R65-E71 IonicContact NH2-OE2 2.89Å; R65-E71 PolarHBondContact NH2-OE2 2.96Å; T67-E71 WeakPolarHBondContact CB-OE1 3.15Å; T67-E71 WeakPolarHBondContact O-CG 3.28Å; T67-E71 PolarHBondContact O-N 3.36Å; T67-E71 PolarHBondContact OG1-OE1 3.5Å; L68-E71 PolarHBondContact O-N 3.07Å
72V96.8Very high95Very high12 Ų1254.8 Ų54.87%0.07334%0.339CS..SBendtrans-110.6127.8-170.1-1760000110.9W42 V44 L56 L68W42-V72 HydrophobicContact CD2-CG1 3.91Å; W42-V72 HydrophobicContact CD2-CG2 4.25Å; W42-V72 VanDerWaalsContact CE2-CG2 3.42Å; W42-V72 HydrophobicContact CE3-CG1 3.9Å; W42-V72 HydrophobicContact CH2-CG1 3.95Å; W42-V72 HydrophobicContact CH2-CG2 4.03Å; W42-V72 HydrophobicContact CZ2-CB 4.3Å; W42-V72 HydrophobicContact CZ2-CG1 3.94Å; W42-V72 HydrophobicContact CZ2-CG2 3.3Å; W42-V72 HydrophobicContact CZ3-CG1 3.93Å; V44-V72 HydrophobicContact CG1-CG1 4.25Å; V44-V72 HydrophobicContact CG2-CG1 4.48Å; L56-V72 HydrophobicContact CD1-CB 4.16Å; L56-V72 HydrophobicContact CD1-CG1 4.25Å; L56-V72 HydrophobicContact CD2-CB 4.06Å; L56-V72 HydrophobicContact CD2-CG1 3.84Å; L56-V72 HydrophobicContact CD2-CG2 4.21Å; L68-V72 HydrophobicContact CD1-CG2 3.89Å; L68-V72 HydrophobicContact CG-CG2 4.22Å; L68-V72 VanDerWaalsContact O-CG2 3.31Å; L68-V72 WeakPolarHBondContact O-CG2 3.48Å; L68-V72 PolarHBondContact O-N 3Å
73G97.8Very high95.1Very high17 Ų1752.5 Ų52.518%0.17534%0.34CS..EExtended strand (participates in β ladder)trans-65150.417400000112.1W42 A43 V44W42-G73 PolarHBondContact O-N 2.93Å; A43-G73 CarbonylContact C-O 3.44Å; A43-G73 WeakPolarHBondContact CA-O 3.47Å; A43-G73 VanDerWaalsContact CB-O 3.28Å; A43-G73 WeakPolarHBondContact CB-O 3.35Å; V44-G73 PolarHBondContact N-O 2.89Å
74I98.5Very high95.3Very high43 Ų4351.6 Ų51.622%0.22134%0.336CS..EExtended strand (participates in β ladder)trans-123.2122172.5-64.4174.4000108.6V44 R49 L52 Q53 L56 I76V44-I74 HydrophobicContact CG2-CG1 3.97Å; V44-I74 WeakPolarHBondContact O-CA 3.33Å; R49-I74 HydrophobicContact CG-CG2 4.12Å; L52-I74 HydrophobicContact CB-CG2 4.35Å; L52-I74 HydrophobicContact CD1-CG2 3.74Å; Q53-I74 HydrophobicContact CG-CD1 3.72Å; L56-I74 HydrophobicContact CD1-CD1 4.12Å; L56-I74 HydrophobicContact CD1-CG1 4.15Å; I74-I76 HydrophobicContact CG2-CD1 4.34Å
75I98.6Very high95.5Very high12 Ų1248.8 Ų48.86%0.06231%0.306CS..EExtended strand (participates in β ladder)trans-113.5124.1177.8-57173.6000108.9F8 V11 A43 V44 A45 G46 C77 M88 Q91F8-I75 HydrophobicContact CD2-CD1 4Å; F8-I75 HydrophobicContact CE2-CD1 3.95Å; F8-I75 HydrophobicContact CE2-CG1 4.34Å; V11-I75 HydrophobicContact CG1-CD1 4.16Å; V11-I75 HydrophobicContact CG2-CD1 4.06Å; A43-I75 HydrophobicContact CB-CD1 4Å; A43-I75 HydrophobicContact CB-CG1 4.15Å; V44-I75 PolarHBondContact O-N 3.44Å; A45-I75 VanDerWaalsContact CA-O 3.24Å; A45-I75 WeakPolarHBondContact CA-O 3.31Å; A45-I75 HydrophobicContact CB-CB 4.03Å; G46-I75 PolarHBondContact N-O 2.93Å; I75-C77 HydrophobicContact CG2-CB 4.48Å; I75-C77 PolarHBondContact O-N 3.36Å; I75-M88 HydrophobicContact CD1-CG 4.38Å; I75-M88 HydrophobicContact CG2-CB 4.08Å; I75-M88 HydrophobicContact CG2-CG 4.26Å; I75-Q91 HydrophobicContact CD1-CB 4.32Å
76I98.4Very high95.8Very high87 Ų8749.6 Ų49.645%0.44631%0.313SS..EExtended strand (participates in β ladder)trans-81.7116.8172.1-55.3-55.4000108.3G46 R49 L52 I74G46-I76 WeakPolarHBondContact O-CA 3.32Å; R49-I76 HydrophobicContact CB-CD1 3.76Å; R49-I76 HydrophobicContact CG-CD1 4.18Å; L52-I76 HydrophobicContact CD1-CD1 4.47Å; I74-I76 HydrophobicContact CG2-CD1 4.34Å
77C98.2Very high96.1Very high1 Ų148.5 Ų48.51%0.00730%0.297CS..  trans-141.9127.7-175.9-177.40000109.9F13 A45 G46 R47 I75 L85 M88F13-C77 HydrophobicContact CD2-CB 4.21Å; F13-C77 HydrophobicContact CE2-CB 3.78Å; F13-C77 WeakPolarHBondContact CE2-SG 3.25Å; A45-C77 HydrophobicContact CB-CB 4.33Å; G46-C77 CarbonylContact C-O 3.57Å; G46-C77 WeakPolarHBondContact CA-O 3.28Å; G46-C77 PolarHBondContact O-N 3.36Å; R47-C77 PolarHBondContact N-O 3Å; I75-C77 HydrophobicContact CG2-CB 4.48Å; I75-C77 PolarHBondContact O-N 3.36Å; C77-L85 VanDerWaalsContact SG-CD2 3.55Å; C77-M88 HydrophobicContact CB-CB 4.39Å; C77-M88 HydrophobicContact CB-SD 4.09Å
78D96.7Very high96.5Very high53 Ų5345.2 Ų45.228%0.28328%0.277SS..  trans-118.2126.4175.3-165.4-19.9000109.7R47 A80 N81 S84R47-D78 VanDerWaalsContact CD-CG 3.46Å; R47-D78 WeakPolarHBondContact CD-OD1 3.2Å; R47-D78 WeakPolarHBondContact CD-OD2 3.39Å; R47-D78 HydrophobicContact CG-CB 3.9Å; D78-A80 PolarHBondContact O-N 2.83Å; D78-A80 VanDerWaalsContact O-N 3.13Å; D78-A80 PolarHBondContact OD1-N 3.09Å; D78-N81 HydrophobicContact CB-CB 4.28Å; D78-N81 PolarHBondContact O-N 3.17Å; D78-S84 PolarHBondContact N-OG 2.96Å; D78-S84 PolarHBondContact O-OG 3.3Å
79I95Very high96.7Very high33 Ų3345.2 Ų45.217%0.16928%0.277CS..THydrogen-bonded Turntrans-57.7-27.5176.6-165.971.6000112.8F13 N81 L85 Y105 P108 V109F13-I79 HydrophobicContact CE1-CD1 3.99Å; F13-I79 HydrophobicContact CZ-CB 4.33Å; F13-I79 HydrophobicContact CZ-CD1 4.34Å; I79-N81 VanDerWaalsContact C-N 3.26Å; I79-N81 PolarHBondContact O-N 3.23Å; I79-L85 HydrophobicContact CD1-CD1 4.12Å; I79-L85 HydrophobicContact CD1-CD2 4.02Å; I79-Y105 WeakPolarHBondContact CD1-O 3.31Å; I79-Y105 HydrophobicContact CG1-CD1 4.24Å; I79-Y105 HydrophobicContact CG2-CD1 4.31Å; I79-P108 HydrophobicContact CD1-CB 4.27Å; I79-V109 HydrophobicContact CD1-CG2 3.41Å; I79-V109 VanDerWaalsContact CD1-CG2 3.41Å
80A95.1Very high97Very high85 Ų8547.7 Ų47.770%0.70228%0.282SS*.THydrogen-bonded Turntrans-78.5-8177.200000113.5D78D78-A80 PolarHBondContact O-N 2.83Å; D78-A80 VanDerWaalsContact O-N 3.13Å; D78-A80 PolarHBondContact OD1-N 3.09Å
81N97.5Very high97.4Very high80 Ų8045.6 Ų45.643%0.42826%0.261SS..  trans-117.398.8180-179.8-2000110.5D78 I79 A83 S84 L85D78-N81 HydrophobicContact CB-CB 4.28Å; D78-N81 PolarHBondContact O-N 3.17Å; I79-N81 VanDerWaalsContact C-N 3.26Å; I79-N81 PolarHBondContact O-N 3.23Å; N81-A83 VanDerWaalsContact C-N 3.29Å; N81-A83 PolarHBondContact O-N 3.17Å; N81-A83 PolarHBondContact OD1-N 3.08Å; N81-S84 PolarHBondContact O-N 3.11Å; N81-S84 PolarHBondContact O-OG 2.74Å; N81-L85 PolarHBondContact O-N 3.18Å
82P97.6Very high97.8Very high89 Ų8942.5 Ų42.558%0.57825%0.246SC*.Hα-helixtrans-52.7-41.4-179.8-28.535.7000114.4S84 L85 D86P82-S84 PolarHBondContact O-N 3.24Å; P82-L85 WeakPolarHBondContact O-CB 3.49Å; P82-L85 PolarHBondContact O-N 3.15Å; P82-D86 PolarHBondContact O-N 3.4Å
83A98.1Very high97.8Very high58 Ų5844.2 Ų44.248%0.47926%0.257SS..Hα-helixtrans-61.8-34.8179.600000111.9N81 L85 D86 E87N81-A83 VanDerWaalsContact C-N 3.29Å; N81-A83 PolarHBondContact O-N 3.17Å; N81-A83 PolarHBondContact OD1-N 3.08Å; A83-L85 VanDerWaalsContact C-N 3.33Å; A83-D86 PolarHBondContact O-N 3.46Å; A83-E87 WeakPolarHBondContact O-CG 3.3Å; A83-E87 PolarHBondContact O-N 2.91Å
84S98.3Very high97.8Very high16 Ų1643.4 Ų43.411%0.11225%0.248CC..Hα-helixtrans-70.9-29.1176.777.50000113.2D78 N81 P82 M88D78-S84 PolarHBondContact N-OG 2.96Å; D78-S84 PolarHBondContact O-OG 3.3Å; N81-S84 PolarHBondContact O-N 3.11Å; N81-S84 PolarHBondContact O-OG 2.74Å; P82-S84 PolarHBondContact O-N 3.24Å; S84-M88 WeakPolarHBondContact O-CB 3.24Å; S84-M88 PolarHBondContact O-N 2.92Å; S84-M88 VanDerWaalsContact O-N 3.1Å
85L98.6Very high97.9Very high4 Ų441.3 Ų41.32%0.02124%0.238CC..Hα-helixtrans-69.8-41.3173.1-63.1169.3000110.7F13 C77 I79 N81 P82 A83 M88 A89 P108 V109 A112F13-L85 HydrophobicContact CE1-CD2 3.95Å; F13-L85 HydrophobicContact CZ-CD2 3.86Å; C77-L85 VanDerWaalsContact SG-CD2 3.55Å; I79-L85 HydrophobicContact CD1-CD1 4.12Å; I79-L85 HydrophobicContact CD1-CD2 4.02Å; N81-L85 PolarHBondContact O-N 3.18Å; P82-L85 WeakPolarHBondContact O-CB 3.49Å; P82-L85 PolarHBondContact O-N 3.15Å; A83-L85 VanDerWaalsContact C-N 3.33Å; L85-M88 HydrophobicContact CD2-CE 4.44Å; L85-M88 PolarHBondContact O-N 3.2Å; L85-A89 VanDerWaalsContact O-CB 3.31Å; L85-A89 WeakPolarHBondContact O-CB 3.18Å; L85-A89 PolarHBondContact O-N 3.14Å; L85-P108 HydrophobicContact CD1-CB 3.81Å; L85-V109 HydrophobicContact CD2-CG2 4.31Å; L85-A112 HydrophobicContact CB-CB 3.72Å
86D98.4Very high97.9Very high45 Ų4540.8 Ų40.824%0.24124%0.235CC..Hα-helixtrans-62.3-46.9175.9-67.5-31.6000111.3P82 A83 M88 A89 K90 N116P82-D86 PolarHBondContact O-N 3.4Å; A83-D86 PolarHBondContact O-N 3.46Å; D86-M88 VanDerWaalsContact C-N 3.33Å; D86-M88 PolarHBondContact O-N 3.29Å; D86-A89 PolarHBondContact O-N 3.31Å; D86-A89 VanDerWaalsContact O-N 3.16Å; D86-K90 WeakPolarHBondContact O-CG 3.32Å; D86-K90 PolarHBondContact O-N 3.14Å; D86-N116 PolarHBondContact OD1-ND2 3.32Å
87E97.9Very high97.9Very high95 Ų9536.6 Ų36.644%0.44421%0.214SC..Hα-helixtrans-62.2-37.9177.6-71.5-52121.300112.9A83 K90 Q91A83-E87 WeakPolarHBondContact O-CG 3.3Å; A83-E87 PolarHBondContact O-N 2.91Å; E87-K90 IonicContact OE1-NZ 2.76Å; E87-K90 PolarHBondContact OE1-NZ 2.83Å; E87-Q91 WeakPolarHBondContact O-CG 3.04Å; E87-Q91 PolarHBondContact O-NE2 2.64Å
88M98.6Very high97.9Very high2 Ų237.3 Ų37.31%0.0122%0.218CC..Hα-helixtrans-65.5-46.2172.2-178.4-172.669.800111.3V11 F13 A45 I75 C77 S84 L85 D86 K90 Q91 A92 V95V11-M88 HydrophobicContact CG1-CG 3.89Å; V11-M88 HydrophobicContact CG1-SD 4.04Å; F13-M88 HydrophobicContact CB-CE 4.06Å; F13-M88 HydrophobicContact CB-SD 3.77Å; F13-M88 HydrophobicContact CD1-CE 4.07Å; F13-M88 HydrophobicContact CD1-SD 4.5Å; F13-M88 HydrophobicContact CD2-CE 4.2Å; F13-M88 HydrophobicContact CD2-SD 3.6Å; F13-M88 HydrophobicContact CE2-SD 4.34Å; F13-M88 HydrophobicContact CG-CE 3.85Å; F13-M88 HydrophobicContact CG-SD 3.71Å; A45-M88 HydrophobicContact CB-CG 4.23Å; A45-M88 HydrophobicContact CB-SD 3.55Å; A45-M88 VanDerWaalsContact CB-SD 3.55Å; I75-M88 HydrophobicContact CD1-CG 4.38Å; I75-M88 HydrophobicContact CG2-CB 4.08Å; I75-M88 HydrophobicContact CG2-CG 4.26Å; C77-M88 HydrophobicContact CB-CB 4.39Å; C77-M88 HydrophobicContact CB-SD 4.09Å; S84-M88 WeakPolarHBondContact O-CB 3.24Å; S84-M88 PolarHBondContact O-N 2.92Å; S84-M88 VanDerWaalsContact O-N 3.1Å; L85-M88 HydrophobicContact CD2-CE 4.44Å; L85-M88 PolarHBondContact O-N 3.2Å; D86-M88 VanDerWaalsContact C-N 3.33Å; D86-M88 PolarHBondContact O-N 3.29Å; M88-K90 PolarHBondContact O-N 2.82Å; M88-Q91 PolarHBondContact O-N 3.44Å; M88-A92 PolarHBondContact O-N 3.26Å; M88-V95 HydrophobicContact CE-CG1 3.89Å; M88-V95 HydrophobicContact CE-CG2 4.31Å
89A98.5Very high97.8Very high0 Ų036 Ų360%021%0.212CC..Hα-helixtrans-64.6-40.5-176.800000112.2R6 L85 D86 Q91 A92 A112 N116 A118R6-A89 PolarHBondContact NH1-O 2.97Å; L85-A89 VanDerWaalsContact O-CB 3.31Å; L85-A89 WeakPolarHBondContact O-CB 3.18Å; L85-A89 PolarHBondContact O-N 3.14Å; D86-A89 PolarHBondContact O-N 3.31Å; D86-A89 VanDerWaalsContact O-N 3.16Å; A89-Q91 PolarHBondContact O-N 3.13Å; A89-A92 PolarHBondContact O-N 3.15Å; A89-A112 HydrophobicContact CB-CB 4.42Å; A89-A112 WeakPolarHBondContact CB-O 3.43Å; A89-N116 HydrophobicContact CB-CB 3.85Å; A89-A118 HydrophobicContact CB-CB 4.46Å
90K97.9Very high97.6Very high100 Ų10036.3 Ų36.344%0.43522%0.223SC..Hα-helixtrans-57.7-31.7175.6-72.1171.6-169.41680113.1R6 D86 E87 M88 N116R6-K90 PolarHBondContact NH1-O 3.25Å; D86-K90 WeakPolarHBondContact O-CG 3.32Å; D86-K90 PolarHBondContact O-N 3.14Å; E87-K90 IonicContact OE1-NZ 2.76Å; E87-K90 PolarHBondContact OE1-NZ 2.83Å; M88-K90 PolarHBondContact O-N 2.82Å; K90-N116 WeakPolarHBondContact CE-OD1 3.38Å; K90-N116 HydrophobicContact CG-CB 3.97Å; K90-N116 WeakPolarHBondContact CG-OD1 3.4Å
91Q98.1Very high97.5Very high60 Ų6033 Ų3328%0.2820%0.195SC..Hα-helixtrans-86.3-12.4-176.5-69.6177.173.900113.9P7 F8 I75 E87 M88 A89P7-Q91 WeakPolarHBondContact CD-O 3.48Å; P7-Q91 HydrophobicContact CG-CB 3.77Å; P7-Q91 HydrophobicContact CG-CG 3.95Å; P7-Q91 WeakPolarHBondContact CG-O 3.37Å; F8-Q91 HydrophobicContact CD2-CB 4.07Å; F8-Q91 HydrophobicContact CE2-CB 4.46Å; F8-Q91 PolarHBondContact N-O 3.14Å; I75-Q91 HydrophobicContact CD1-CB 4.32Å; E87-Q91 WeakPolarHBondContact O-CG 3.04Å; E87-Q91 PolarHBondContact O-NE2 2.64Å; M88-Q91 PolarHBondContact O-N 3.44Å; A89-Q91 PolarHBondContact O-N 3.13Å
92A98.3Very high97.4Very high0 Ų029.9 Ų29.90%018%0.177CC..EExtended strand (participates in β ladder)trans-111.9136.1-169.800000112.4R6 F8 V11 M88 A89 V95 A118R6-A92 VanDerWaalsContact CD-C 3.44Å; R6-A92 WeakPolarHBondContact CD-O 3.36Å; R6-A92 PolarHBondContact NH1-O 3.21Å; F8-A92 CarbonylContact O-C 3.53Å; F8-A92 WeakPolarHBondContact O-CA 3.29Å; V11-A92 HydrophobicContact CB-CB 3.99Å; V11-A92 HydrophobicContact CG2-CB 3.47Å; V11-A92 VanDerWaalsContact CG2-CB 3.47Å; M88-A92 PolarHBondContact O-N 3.26Å; A89-A92 PolarHBondContact O-N 3.15Å; A92-V95 HydrophobicContact CB-CG2 3.7Å; A92-A118 VanDerWaalsContact O-CB 3.29Å; A92-A118 WeakPolarHBondContact O-CB 3.5Å
93T97.9Very high97.2Very high48 Ų4827.7 Ų27.729%0.29416%0.157SC..EExtended strand (participates in β ladder)trans-75.5-45.7164.2-540000110.3F8 H9 S119 L386F8-T93 PolarHBondContact O-N 2.77Å; F8-T93 PolarHBondContact O-OG1 2.91Å; H9-T93 WeakPolarHBondContact O-CB 3.36Å; T93-S119 PolarHBondContact O-N 2.91Å; T93-L386 HydrophobicContact CG2-CD2 3.84Å
94V98.6Very high97Very high0 Ų029.4 Ų29.40%015%0.154CC..EExtended strand (participates in β ladder)trans-131.2129.6175.3-1690000110.2H9 L10 V11 L96 S119 I121 L385 L386H9-V94 PolarHBondContact O-N 3.47Å; L10-V94 CarbonylContact C-O 3.55Å; L10-V94 WeakPolarHBondContact CA-O 3.37Å; L10-V94 HydrophobicContact CD2-CB 3.98Å; L10-V94 HydrophobicContact CD2-CG2 4.44Å; V11-V94 PolarHBondContact N-O 3.13Å; V94-L96 HydrophobicContact CG1-CD2 4.09Å; V94-S119 CarbonylContact C-O 3.52Å; V94-S119 WeakPolarHBondContact CA-O 3.35Å; V94-I121 HydrophobicContact CG1-CD1 4.13Å; V94-I121 HydrophobicContact CG1-CG1 4.03Å; V94-L385 HydrophobicContact CG1-CD2 4.24Å; V94-L385 HydrophobicContact CG2-CD2 3.48Å; V94-L385 VanDerWaalsContact CG2-CD2 3.48Å; V94-L386 HydrophobicContact CG2-CD2 3.83Å; V94-L386 HydrophobicContact CG2-CG 4.15Å
95V98.9Very high96.8Very high0 Ų033.4 Ų33.40%017%0.168CC..EExtended strand (participates in β ladder)trans-97.2122.9169.9178.80000109.3V11 F13 M88 A92 N97 V109 S119 C120 I121V11-V95 WeakPolarHBondContact O-CA 3.28Å; F13-V95 HydrophobicContact CB-CG1 3.94Å; M88-V95 HydrophobicContact CE-CG1 3.89Å; M88-V95 HydrophobicContact CE-CG2 4.31Å; A92-V95 HydrophobicContact CB-CG2 3.7Å; V95-N97 PolarHBondContact O-N 2.95Å; V95-V109 HydrophobicContact CG1-CG1 4.3Å; V95-S119 PolarHBondContact N-O 2.96Å; V95-C120 WeakPolarHBondContact O-CA 3.5Å; V95-I121 PolarHBondContact O-N 3.19Å
96L98.9Very high96.8Very high0 Ų033.2 Ų33.20%017%0.167CC..EExtended strand (participates in β ladder)trans-90.597.1169.6-54.6-171.6000108.1V11 V12 F13 V23 V27 V94 C98 I121 M378 A382V11-L96 PolarHBondContact O-N 2.86Å; V12-L96 HydrophobicContact CG2-CD1 4.29Å; F13-L96 PolarHBondContact N-O 2.85Å; V23-L96 HydrophobicContact CG1-CD1 4.18Å; V27-L96 HydrophobicContact CG2-CD1 3.91Å; V94-L96 HydrophobicContact CG1-CD2 4.09Å; L96-C98 PolarHBondContact O-N 2.88Å; L96-I121 HydrophobicContact CD2-CB 3.98Å; L96-I121 HydrophobicContact CD2-CD1 4.47Å; L96-M378 HydrophobicContact CB-CE 3.55Å; L96-M378 HydrophobicContact CB-SD 4.19Å; L96-M378 HydrophobicContact CD2-CE 4.28Å; L96-M378 HydrophobicContact CG-CE 4.43Å; L96-A382 HydrophobicContact CD1-CB 4.45Å; L96-A382 HydrophobicContact CD2-CB 3.59Å
97N98.6Very high96.7Very high0 Ų033.7 Ų33.70%017%0.167CC..EExtended strand (participates in β ladder)trans-83.9112.3-176.3-176.512.8000111.2V95 V99 Y102 V109 I121 D122V95-N97 PolarHBondContact O-N 2.95Å; N97-V99 WeakPolarHBondContact OD1-CB 3.45Å; N97-V99 PolarHBondContact OD1-N 3.01Å; N97-Y102 PolarHBondContact O-OH 3.31Å; N97-V109 HydrophobicContact CB-CG1 4.31Å; N97-I121 PolarHBondContact N-O 3.4Å; N97-D122 HydrophobicContact CB-CB 4.29Å
98C97.9Very high96.7Very high16 Ų1631.6 Ų31.611%0.10816%0.162CC..  trans-109.316.2174.7-55.20000112.8F13 L96 G100F13-C98 WeakPolarHBondContact O-CB 3.31Å; F13-C98 PolarHBondContact O-N 3.08Å; L96-C98 PolarHBondContact O-N 2.88Å; C98-G100 PolarHBondContact O-N 2.73Å
99V95.6Very high96.7Very high26 Ų2631.6 Ų31.616%0.15816%0.162CC..  trans-93.993.3-175.8-175.10000110.8F13 N97 Y105F13-V99 HydrophobicContact CD1-CB 4.33Å; F13-V99 HydrophobicContact CD1-CG2 3.54Å; F13-V99 HydrophobicContact CD2-CG2 4.41Å; F13-V99 HydrophobicContact CE1-CB 4.1Å; F13-V99 HydrophobicContact CE1-CG2 3.47Å; F13-V99 VanDerWaalsContact CE1-CG2 3.47Å; F13-V99 HydrophobicContact CE2-CG2 4.33Å; F13-V99 HydrophobicContact CG-CG2 4.03Å; F13-V99 HydrophobicContact CZ-CG2 3.9Å; N97-V99 WeakPolarHBondContact OD1-CB 3.45Å; N97-V99 PolarHBondContact OD1-N 3.01Å; V99-Y105 HydrophobicContact CG1-CG 4.41Å
100G89.9Confident96.7Very high39 Ų3931.6 Ų31.640%0.40216%0.162SC..SBendtrans-104.6169.2172.900000114.1C98C98-G100 PolarHBondContact O-N 2.73Å
101P93.1Very high96.8Very high16 Ų1631 Ų3110%0.10416%0.159CC..  cis-68.5135.7-2.9-19.833.9000113.1R103 F104 Y105 K198P101-R103 PolarHBondContact O-N 2.85Å; P101-F104 HydrophobicContact CB-CD2 3.97Å; P101-F104 HydrophobicContact CB-CE2 4.31Å; P101-F104 HydrophobicContact CG-CD2 4.32Å; P101-F104 PolarHBondContact O-N 2.94Å; P101-Y105 WeakPolarHBondContact O-CD2 3.31Å; P101-Y105 PolarHBondContact O-N 2.83Å; P101-K198 HydrophobicContact CG-CB 4.11Å
102Y94.9Very high96.8Very high13 Ų1328.4 Ų28.45%0.05115%0.148CC..Hα-helixtrans-71.9-29.2-165.3-70.1-85.8000113.2N97 F104 Y105 G106 D122 I123 S124 E126 F129N97-Y102 PolarHBondContact O-OH 3.31Å; Y102-F104 PolarHBondContact O-N 3.34Å; Y102-F104 VanDerWaalsContact O-N 3.09Å; Y102-Y105 PolarHBondContact O-N 3.5Å; Y102-G106 WeakPolarHBondContact O-CA 3.33Å; Y102-G106 PolarHBondContact O-N 2.81Å; Y102-D122 HydrophobicContact CD1-CB 4.27Å; Y102-D122 HydrophobicContact CE1-CB 3.73Å; Y102-I123 HydrophobicContact CE2-CG1 4.43Å; Y102-I123 WeakPolarHBondContact OH-CG1 3.45Å; Y102-S124 VanDerWaalsContact CD2-CB 3.46Å; Y102-E126 PolarHBondContact N-OE1 2.78Å; Y102-F129 HydrophobicContact CD1-CE1 4.39Å; Y102-F129 HydrophobicContact CG-CE1 4.39Å; Y102-F129 VanDerWaalsContact O-CD2 3.3Å; Y102-F129 WeakPolarHBondContact O-CD2 3.37Å; Y102-F129 WeakPolarHBondContact O-CE2 3.46Å
103R93.5Very high96.8Very high43 Ų4328.4 Ų28.416%0.16215%0.148CC..Hα-helixtrans-54.1-28.7172.3-177.7-176.3-36.1-98.1-19.5114P101 E126 D206P101-R103 PolarHBondContact O-N 2.85Å; R103-E126 WeakPolarHBondContact CB-OE2 3.45Å; R103-E126 PolarHBondContact N-OE2 3.46Å; R103-E126 VanDerWaalsContact N-OE2 3.07Å; R103-E126 IonicContact NE-OE2 3.71Å; R103-E126 IonicContact NH2-OE2 2.63Å; R103-D206 IonicContact CZ-OD2 3.82Å; R103-D206 IonicContact NH1-OD2 2.64Å; R103-D206 PolarHBondContact NH1-OD2 3.4Å
104F93.6Very high96.9Very high95 Ų9526.4 Ų26.442%0.41714%0.136SC..Hα-helixtrans-100.1-34.4-179.3-53.7-57.7000112.8P101 Y102 Y202P101-F104 HydrophobicContact CB-CD2 3.97Å; P101-F104 HydrophobicContact CB-CE2 4.31Å; P101-F104 HydrophobicContact CG-CD2 4.32Å; P101-F104 PolarHBondContact O-N 2.94Å; Y102-F104 PolarHBondContact O-N 3.34Å; Y102-F104 VanDerWaalsContact O-N 3.09Å; F104-Y202 HydrophobicContact CE2-CD1 4.1Å; F104-Y202 AromaticContact CE2-CD2 3.57Å; F104-Y202 HydrophobicContact CE2-CD2 3.57Å; F104-Y202 HydrophobicContact CE2-CE1 4.26Å; F104-Y202 AromaticContact CE2-CE2 3.76Å; F104-Y202 HydrophobicContact CE2-CE2 3.76Å; F104-Y202 AromaticContact CE2-CG 3.76Å; F104-Y202 HydrophobicContact CE2-CG 3.76Å; F104-Y202 AromaticContact CZ-CD1 3.72Å; F104-Y202 HydrophobicContact CZ-CD1 3.72Å; F104-Y202 HydrophobicContact CZ-CD2 4.07Å; F104-Y202 AromaticContact CZ-CE1 3.95Å; F104-Y202 HydrophobicContact CZ-CE1 3.95Å; F104-Y202 HydrophobicContact CZ-CE2 4.29Å; F104-Y202 AromaticContact CZ-CG 3.79Å; F104-Y202 HydrophobicContact CZ-CG 3.79Å
105Y95.6Very high96.8Very high100 Ų10030.8 Ų30.839%0.39216%0.156SC..Hα-helixtrans-118.9-11.3-167.1-55-51.8000114.3I79 V99 P101 Y102I79-Y105 WeakPolarHBondContact CD1-O 3.31Å; I79-Y105 HydrophobicContact CG1-CD1 4.24Å; I79-Y105 HydrophobicContact CG2-CD1 4.31Å; V99-Y105 HydrophobicContact CG1-CG 4.41Å; P101-Y105 WeakPolarHBondContact O-CD2 3.31Å; P101-Y105 PolarHBondContact O-N 2.83Å; Y102-Y105 PolarHBondContact O-N 3.5Å
106G97.2Very high96.8Very high0 Ų032.4 Ų32.40%016%0.164CC..Hα-helixtrans-76.5-40.6-174.800000113.6Y102 V109 I110Y102-G106 WeakPolarHBondContact O-CA 3.33Å; Y102-G106 PolarHBondContact O-N 2.81Å; G106-V109 WeakPolarHBondContact O-CB 3.49Å; G106-V109 PolarHBondContact O-N 2.72Å; G106-I110 PolarHBondContact O-N 2.89Å; G106-I110 VanDerWaalsContact O-N 3.13Å
107E97.8Very high96.7Very high55 Ų5533.8 Ų33.826%0.25718%0.179SC..Hα-helixtrans-62.4-44.7-174.1175.3170.5-160.400113.8V109 I110 K111 M133 K136 Y137E107-V109 PolarHBondContact O-N 3.02Å; E107-I110 PolarHBondContact O-N 3.4Å; E107-K111 WeakPolarHBondContact O-CB 3.41Å; E107-K111 PolarHBondContact O-N 3.39Å; E107-M133 HydrophobicContact CB-CE 3.88Å; E107-M133 HydrophobicContact CB-SD 3.81Å; E107-M133 HydrophobicContact CG-CE 3.95Å; E107-M133 HydrophobicContact CG-SD 3.99Å; E107-K136 WeakPolarHBondContact OE1-CD 3.29Å; E107-K136 VanDerWaalsContact OE1-CE 3.26Å; E107-K136 WeakPolarHBondContact OE1-CE 3.4Å; E107-K136 IonicContact OE1-NZ 2.72Å; E107-K136 PolarHBondContact OE1-NZ 3.43Å; E107-Y137 HydrophobicContact CG-CE2 3.94Å; E107-Y137 WeakPolarHBondContact OE1-CE2 3.2Å; E107-Y137 PolarHBondContact OE1-OH 2.64Å
108P98.3Very high96.7Very high51 Ų5133.8 Ų33.833%0.33118%0.179SC..Hα-helixtrans-57.1-36.1176.3-26.335.2000113.3I79 L85 A112I79-P108 HydrophobicContact CD1-CB 4.27Å; L85-P108 HydrophobicContact CD1-CB 3.81Å; P108-A112 WeakPolarHBondContact O-CB 3.38Å; P108-A112 PolarHBondContact O-N 3.05Å; P108-A112 VanDerWaalsContact O-N 3.08Å
109V98.5Very high96.8Very high1 Ų133.7 Ų33.71%0.00618%0.178CC..Hα-helixtrans-67.6-47.6177.3-172.90000110.6F13 I79 L85 V95 N97 G106 E107 K111 A112 C113F13-V109 HydrophobicContact CD1-CG1 4.29Å; F13-V109 HydrophobicContact CD1-CG2 3.96Å; F13-V109 HydrophobicContact CE1-CG2 3.63Å; I79-V109 HydrophobicContact CD1-CG2 3.41Å; I79-V109 VanDerWaalsContact CD1-CG2 3.41Å; L85-V109 HydrophobicContact CD2-CG2 4.31Å; V95-V109 HydrophobicContact CG1-CG1 4.3Å; N97-V109 HydrophobicContact CB-CG1 4.31Å; G106-V109 WeakPolarHBondContact O-CB 3.49Å; G106-V109 PolarHBondContact O-N 2.72Å; E107-V109 PolarHBondContact O-N 3.02Å; V109-K111 VanDerWaalsContact C-N 3.32Å; V109-K111 PolarHBondContact O-N 3.46Å; V109-A112 PolarHBondContact O-N 3.36Å; V109-C113 WeakPolarHBondContact O-CB 3.49Å; V109-C113 PolarHBondContact O-N 3.44Å; V109-C113 PolarHBondContact O-SG 3.3Å
110I98.4Very high96.9Very high0 Ų032.4 Ų32.40%017%0.171CC..Hα-helixtrans-59.5-45.7178.4-73171.1000110.5G106 E107 C113 I114 F129 M133 Y137 I148G106-I110 PolarHBondContact O-N 2.89Å; G106-I110 VanDerWaalsContact O-N 3.13Å; E107-I110 PolarHBondContact O-N 3.4Å; I110-C113 PolarHBondContact O-N 2.97Å; I110-I114 HydrophobicContact CG2-CD1 3.68Å; I110-I114 HydrophobicContact CG2-CG1 4.41Å; I110-I114 WeakPolarHBondContact O-CG1 3.34Å; I110-I114 PolarHBondContact O-N 3.11Å; I110-F129 HydrophobicContact CD1-CE1 4.39Å; I110-F129 HydrophobicContact CD1-CE2 4.25Å; I110-F129 HydrophobicContact CD1-CZ 3.58Å; I110-M133 HydrophobicContact CD1-CB 4.06Å; I110-M133 HydrophobicContact CD1-CG 3.51Å; I110-M133 HydrophobicContact CD1-SD 3.69Å; I110-Y137 HydrophobicContact CG2-CD2 4.13Å; I110-Y137 HydrophobicContact CG2-CG 4.2Å; I110-I148 HydrophobicContact CD1-CG2 3.85Å; I110-I148 HydrophobicContact CG1-CG2 3.91Å; I110-I148 HydrophobicContact CG2-CD1 4.27Å; I110-I148 HydrophobicContact CG2-CG1 4.27Å; I110-I148 HydrophobicContact CG2-CG2 4.2Å
111K98.5Very high97.3Very high88 Ų8830.6 Ų30.638%0.38315%0.152SC..Hα-helixtrans-58.1-51.1177.8-178.8-179.8176-660111.4E107 V109 C113 I114 E115 Y137E107-K111 WeakPolarHBondContact O-CB 3.41Å; E107-K111 PolarHBondContact O-N 3.39Å; V109-K111 VanDerWaalsContact C-N 3.32Å; V109-K111 PolarHBondContact O-N 3.46Å; K111-C113 VanDerWaalsContact C-N 3.32Å; K111-C113 PolarHBondContact O-N 2.88Å; K111-I114 PolarHBondContact O-N 3.07Å; K111-E115 WeakPolarHBondContact CE-OE1 3.42Å; K111-E115 HydrophobicContact CG-CG 4.44Å; K111-E115 WeakPolarHBondContact CG-OE1 3.46Å; K111-E115 IonicContact NZ-OE1 2.89Å; K111-E115 PolarHBondContact NZ-OE1 3.43Å; K111-E115 IonicContact NZ-OE2 2.7Å; K111-E115 PolarHBondContact NZ-OE2 2.89Å; K111-E115 WeakPolarHBondContact O-CB 3.5Å; K111-E115 WeakPolarHBondContact O-CG 3.27Å; K111-E115 PolarHBondContact O-N 2.7Å; K111-Y137 HydrophobicContact CB-CE1 4.5Å
112A98.6Very high97.6Very high5 Ų530 Ų304%0.04115%0.148CC..Hα-helixtrans-61.2-40.2178.900000112.1L85 A89 P108 V109 N116L85-A112 HydrophobicContact CB-CB 3.72Å; A89-A112 HydrophobicContact CB-CB 4.42Å; A89-A112 WeakPolarHBondContact CB-O 3.43Å; P108-A112 WeakPolarHBondContact O-CB 3.38Å; P108-A112 PolarHBondContact O-N 3.05Å; P108-A112 VanDerWaalsContact O-N 3.08Å; V109-A112 PolarHBondContact O-N 3.36Å; A112-N116 WeakPolarHBondContact O-CB 3.45Å; A112-N116 PolarHBondContact O-N 3.22Å; A112-N116 PolarHBondContact O-ND2 3.37Å
113C98.8Very high97.7Very high0 Ų030.7 Ų30.70%015%0.152CC..Hα-helixtrans-61.9-49.4176.5-68.10000111.6V109 I110 K111 E115 N116 G117 A118 C120V109-C113 WeakPolarHBondContact O-CB 3.49Å; V109-C113 PolarHBondContact O-N 3.44Å; V109-C113 PolarHBondContact O-SG 3.3Å; I110-C113 PolarHBondContact O-N 2.97Å; K111-C113 VanDerWaalsContact C-N 3.32Å; K111-C113 PolarHBondContact O-N 2.88Å; C113-E115 PolarHBondContact O-N 3.34Å; C113-N116 CarbonylContact O-C 3.51Å; C113-N116 PolarHBondContact O-N 2.96Å; C113-G117 PolarHBondContact O-N 3.36Å; C113-A118 CarbonylContact C-O 3.49Å; C113-A118 HydrophobicContact CB-CB 4.2Å; C113-A118 WeakPolarHBondContact CB-O 3.41Å; C113-A118 PolarHBondContact O-N 3.18Å; C113-C120 HydrophobicContact CB-CB 4.16Å
114I98.6Very high97.8Very high7 Ų728.7 Ų28.74%0.03614%0.144CC..Hα-helixtrans-62.6-46.2179.4-65.5168.1000111.5I110 K111 N116 G117 Y137 K140 A141 K144 V146 I148I110-I114 HydrophobicContact CG2-CD1 3.68Å; I110-I114 HydrophobicContact CG2-CG1 4.41Å; I110-I114 WeakPolarHBondContact O-CG1 3.34Å; I110-I114 PolarHBondContact O-N 3.11Å; K111-I114 PolarHBondContact O-N 3.07Å; I114-N116 VanDerWaalsContact C-N 3.28Å; I114-N116 PolarHBondContact O-N 3.05Å; I114-G117 PolarHBondContact O-N 3.44Å; I114-Y137 HydrophobicContact CD1-CD1 3.71Å; I114-Y137 HydrophobicContact CD1-CG 3.91Å; I114-K140 HydrophobicContact CG2-CB 4.19Å; I114-A141 HydrophobicContact CD1-CB 4.05Å; I114-A141 HydrophobicContact CG1-CB 4.16Å; I114-K144 HydrophobicContact CG2-CB 4.44Å; I114-K144 HydrophobicContact CG2-CG 4.03Å; I114-V146 HydrophobicContact CB-CG2 4.45Å; I114-V146 HydrophobicContact CG1-CG2 4.04Å; I114-I148 HydrophobicContact CD1-CD1 4.36Å; I114-I148 HydrophobicContact CD1-CG1 4.12Å; I114-I148 HydrophobicContact CG1-CD1 3.91Å; I114-I148 HydrophobicContact CG1-CG1 4.1Å
115E98.3Very high97.8Very high92 Ų9225.4 Ų25.443%0.4314%0.138SC..Hα-helixtrans-63.7-35.7-177.5-74.3173.9174.400112.1K111 C113K111-E115 WeakPolarHBondContact CE-OE1 3.42Å; K111-E115 HydrophobicContact CG-CG 4.44Å; K111-E115 WeakPolarHBondContact CG-OE1 3.46Å; K111-E115 IonicContact NZ-OE1 2.89Å; K111-E115 PolarHBondContact NZ-OE1 3.43Å; K111-E115 IonicContact NZ-OE2 2.7Å; K111-E115 PolarHBondContact NZ-OE2 2.89Å; K111-E115 WeakPolarHBondContact O-CB 3.5Å; K111-E115 WeakPolarHBondContact O-CG 3.27Å; K111-E115 PolarHBondContact O-N 2.7Å; C113-E115 PolarHBondContact O-N 3.34Å
116N98.2Very high97.8Very high33 Ų3320.9 Ų20.918%0.17612%0.12CC..THydrogen-bonded Turntrans-101.513.4-178.8-61.7-82.3000113.7R6 D86 A89 K90 A112 C113 I114 A118R6-N116 PolarHBondContact NH1-O 2.74Å; R6-N116 PolarHBondContact NH2-O 2.76Å; D86-N116 PolarHBondContact OD1-ND2 3.32Å; A89-N116 HydrophobicContact CB-CB 3.85Å; K90-N116 WeakPolarHBondContact CE-OD1 3.38Å; K90-N116 HydrophobicContact CG-CB 3.97Å; K90-N116 WeakPolarHBondContact CG-OD1 3.4Å; A112-N116 WeakPolarHBondContact O-CB 3.45Å; A112-N116 PolarHBondContact O-N 3.22Å; A112-N116 PolarHBondContact O-ND2 3.37Å; C113-N116 CarbonylContact O-C 3.51Å; C113-N116 PolarHBondContact O-N 2.96Å; I114-N116 VanDerWaalsContact C-N 3.28Å; I114-N116 PolarHBondContact O-N 3.05Å; N116-A118 PolarHBondContact O-N 3.46Å
117G97.5Very high97.6Very high30 Ų3022.1 Ų22.131%0.30913%0.128SC..THydrogen-bonded Turntrans7026172.200000115.9R6 C113 I114R6-G117 VanDerWaalsContact NH2-C 3.3Å; R6-G117 PolarHBondContact NH2-O 3.15Å; C113-G117 PolarHBondContact O-N 3.36Å; I114-G117 PolarHBondContact O-N 3.44Å
118A98.5Very high97.5Very high0 Ų020.8 Ų20.80%012%0.122CC..  trans-99.4145.2172.500000111.2A89 A92 C113 N116A89-A118 HydrophobicContact CB-CB 4.46Å; A92-A118 VanDerWaalsContact O-CB 3.29Å; A92-A118 WeakPolarHBondContact O-CB 3.5Å; C113-A118 CarbonylContact C-O 3.49Å; C113-A118 HydrophobicContact CB-CB 4.2Å; C113-A118 WeakPolarHBondContact CB-O 3.41Å; C113-A118 PolarHBondContact O-N 3.18Å; N116-A118 PolarHBondContact O-N 3.46Å
119S98.7Very high97.4Very high13 Ų1318.6 Ų18.69%0.09111%0.108CC..EExtended strand (participates in β ladder)trans-80.3155.7167.1-63.70000110.4T93 V94 V95 Y147T93-S119 PolarHBondContact O-N 2.91Å; V94-S119 CarbonylContact C-O 3.52Å; V94-S119 WeakPolarHBondContact CA-O 3.35Å; V95-S119 PolarHBondContact N-O 2.96Å; S119-Y147 CarbonylContact C-O 3.55Å; S119-Y147 WeakPolarHBondContact CA-O 3.28Å; S119-Y147 WeakPolarHBondContact CB-O 3.43Å; S119-Y147 PolarHBondContact OG-N 2.63Å
120C98.8Very high97.2Very high0 Ų018.9 Ų18.90%011%0.109CC..EExtended strand (participates in β ladder)trans-134133.1179.7-175.60000110.4V95 C113 Y147 I148 I149V95-C120 WeakPolarHBondContact O-CA 3.5Å; C113-C120 HydrophobicContact CB-CB 4.16Å; C120-Y147 PolarHBondContact N-O 3.19Å; C120-I148 HydrophobicContact CB-CD1 3.66Å; C120-I148 CarbonylContact O-C 3.54Å; C120-I148 WeakPolarHBondContact O-CA 3.46Å; C120-I149 PolarHBondContact O-N 2.99Å
121I98.8Very high97.1Very high0 Ų020.3 Ų20.30%012%0.115CC..EExtended strand (participates in β ladder)trans-120.3131.9172.6-61.4-174.9000107.8V94 V95 L96 N97 I149 S152 M378 A381 A382V94-I121 HydrophobicContact CG1-CD1 4.13Å; V94-I121 HydrophobicContact CG1-CG1 4.03Å; V95-I121 PolarHBondContact O-N 3.19Å; L96-I121 HydrophobicContact CD2-CB 3.98Å; L96-I121 HydrophobicContact CD2-CD1 4.47Å; N97-I121 PolarHBondContact N-O 3.4Å; I121-I149 WeakPolarHBondContact CA-O 3.4Å; I121-I149 HydrophobicContact CG1-CB 4.29Å; I121-S152 WeakPolarHBondContact CG2-OG 3.35Å; I121-M378 HydrophobicContact CG2-CE 4.29Å; I121-M378 HydrophobicContact CG2-CG 4.03Å; I121-M378 WeakPolarHBondContact O-CE 3.49Å; I121-A381 HydrophobicContact CD1-CB 4.35Å; I121-A382 VanDerWaalsContact CD1-CA 3.5Å; I121-A382 HydrophobicContact CD1-CB 3.89Å
122D98.3Very high97Very high3 Ų318.4 Ų18.42%0.01611%0.109CC..EExtended strand (participates in β ladder)trans-124.6168.4174.872.453.9000112.1N97 Y102 S124 I149 G150 S151 S152N97-D122 HydrophobicContact CB-CB 4.29Å; Y102-D122 HydrophobicContact CD1-CB 4.27Å; Y102-D122 HydrophobicContact CE1-CB 3.73Å; D122-S124 WeakPolarHBondContact OD1-CB 3.38Å; D122-S124 PolarHBondContact OD1-N 3.23Å; D122-I149 PolarHBondContact N-O 3.47Å; D122-I149 VanDerWaalsContact N-O 3.13Å; D122-G150 VanDerWaalsContact OD1-CA 3.31Å; D122-G150 WeakPolarHBondContact OD1-CA 3.44Å; D122-S151 PolarHBondContact O-N 3.14Å; D122-S151 PolarHBondContact OD1-N 2.74Å; D122-S152 WeakPolarHBondContact O-CA 3.23Å; D122-S152 WeakPolarHBondContact O-CB 3.25Å; D122-S152 PolarHBondContact O-N 3.06Å
123I97.5Very high97Very high29 Ų2918.3 Ų18.315%0.14911%0.108CC..  trans-113.333.3176.356.6169.6000111.1T19 Y102 G125 T374 M378T19-I123 HydrophobicContact CG2-CD1 3.44Å; T19-I123 VanDerWaalsContact CG2-CD1 3.44Å; Y102-I123 HydrophobicContact CE2-CG1 4.43Å; Y102-I123 WeakPolarHBondContact OH-CG1 3.45Å; I123-G125 PolarHBondContact O-N 3.06Å; I123-T374 HydrophobicContact CB-CG2 4.11Å; I123-T374 HydrophobicContact CD1-CG2 3.84Å; I123-T374 HydrophobicContact CG2-CG2 3.84Å; I123-M378 HydrophobicContact CG2-CB 3.89Å; I123-M378 HydrophobicContact CG2-CE 4.19Å; I123-M378 HydrophobicContact CG2-CG 3.84Å; I123-M378 HydrophobicContact CG2-SD 3.59Å; I123-M378 VanDerWaalsContact CG2-SD 3.59Å
124S96.2Very high96.8Very high0 Ų021.1 Ų21.10%012%0.121CC..  trans-71.1126.3-175.5-177.20000112Y102 D122 E126 F129 S151Y102-S124 VanDerWaalsContact CD2-CB 3.46Å; D122-S124 WeakPolarHBondContact OD1-CB 3.38Å; D122-S124 PolarHBondContact OD1-N 3.23Å; S124-E126 PolarHBondContact OG-N 3.09Å; S124-F129 WeakPolarHBondContact OG-CD1 3.46Å; S124-S151 WeakPolarHBondContact O-CA 3.25Å; S124-S151 PolarHBondContact O-OG 2.62Å
125G93.4Very high96.7Very high27 Ų2725.3 Ų25.328%0.27814%0.143SC..  trans-97.125.5168.800000113.1I123 P127 D155I123-G125 PolarHBondContact O-N 3.06Å; G125-P127 VanDerWaalsContact O-CD 3.31Å; G125-P127 WeakPolarHBondContact O-CD 3.41Å; G125-D155 VanDerWaalsContact CA-OD2 3.26Å; G125-D155 WeakPolarHBondContact CA-OD2 3.48Å
126E94.7Very high96.6Very high4 Ų426 Ų262%0.01914%0.144CC..  trans-111.594.2-170.7-62179.3-147.100111.9Y102 R103 S124 Q128 F129 L130 S199Y102-E126 PolarHBondContact N-OE1 2.78Å; R103-E126 WeakPolarHBondContact CB-OE2 3.45Å; R103-E126 PolarHBondContact N-OE2 3.46Å; R103-E126 VanDerWaalsContact N-OE2 3.07Å; R103-E126 IonicContact NE-OE2 3.71Å; R103-E126 IonicContact NH2-OE2 2.63Å; S124-E126 PolarHBondContact OG-N 3.09Å; E126-Q128 VanDerWaalsContact C-N 3.27Å; E126-Q128 PolarHBondContact O-N 3.43Å; E126-Q128 VanDerWaalsContact O-N 3.08Å; E126-F129 HydrophobicContact CB-CB 4.12Å; E126-F129 WeakPolarHBondContact O-CB 3.36Å; E126-F129 PolarHBondContact O-N 3.31Å; E126-L130 WeakPolarHBondContact O-CG 3.21Å; E126-L130 PolarHBondContact O-N 3.27Å; E126-S199 WeakPolarHBondContact OE1-CB 3.36Å; E126-S199 PolarHBondContact OE1-OG 3.31Å
127P94.3Very high96.6Very high27 Ų2725 Ų2518%0.17514%0.138CC..Hα-helixtrans-53-37.8-173.2-3236.8000115.6G125 L130 E131 L210G125-P127 VanDerWaalsContact O-CD 3.31Å; G125-P127 WeakPolarHBondContact O-CD 3.41Å; P127-L130 PolarHBondContact O-N 3.3Å; P127-E131 VanDerWaalsContact O-CB 3.32Å; P127-E131 WeakPolarHBondContact O-CB 3.37Å; P127-E131 WeakPolarHBondContact O-CG 3.34Å; P127-E131 PolarHBondContact O-N 2.86Å; P127-L210 HydrophobicContact CB-CD1 4.35Å; P127-L210 HydrophobicContact CB-CD2 4.05Å
128Q94.4Very high96.6Very high27 Ų2725.9 Ų25.913%0.12613%0.134CC..Hα-helixtrans-64.9-42.7179.4-178-83-13.900111.9E126 L132 L210E126-Q128 VanDerWaalsContact C-N 3.27Å; E126-Q128 PolarHBondContact O-N 3.43Å; E126-Q128 VanDerWaalsContact O-N 3.08Å; Q128-L132 WeakPolarHBondContact O-CB 3.37Å; Q128-L132 PolarHBondContact O-N 2.89Å; Q128-L210 HydrophobicContact CB-CB 4.14Å; Q128-L210 HydrophobicContact CB-CD1 4.1Å; Q128-L210 HydrophobicContact CG-CB 4.41Å
129F95.6Very high96.6Very high5 Ų532 Ų322%0.02216%0.163CC..Hα-helixtrans-65.3-50176.4165.8-99000109.7Y102 I110 S124 E126 E131 L132 M133Y102-F129 HydrophobicContact CD1-CE1 4.39Å; Y102-F129 HydrophobicContact CG-CE1 4.39Å; Y102-F129 VanDerWaalsContact O-CD2 3.3Å; Y102-F129 WeakPolarHBondContact O-CD2 3.37Å; Y102-F129 WeakPolarHBondContact O-CE2 3.46Å; I110-F129 HydrophobicContact CD1-CE1 4.39Å; I110-F129 HydrophobicContact CD1-CE2 4.25Å; I110-F129 HydrophobicContact CD1-CZ 3.58Å; S124-F129 WeakPolarHBondContact OG-CD1 3.46Å; E126-F129 HydrophobicContact CB-CB 4.12Å; E126-F129 WeakPolarHBondContact O-CB 3.36Å; E126-F129 PolarHBondContact O-N 3.31Å; F129-E131 PolarHBondContact O-N 3.11Å; F129-L132 PolarHBondContact O-N 2.78Å; F129-M133 HydrophobicContact CD1-CG 4.44Å; F129-M133 HydrophobicContact CD2-CE 4.41Å; F129-M133 HydrophobicContact CD2-CG 3.86Å; F129-M133 HydrophobicContact CD2-SD 4.35Å; F129-M133 HydrophobicContact CE1-CG 4.12Å; F129-M133 HydrophobicContact CE2-CE 4.35Å; F129-M133 HydrophobicContact CE2-CG 3.45Å; F129-M133 VanDerWaalsContact CE2-CG 3.45Å; F129-M133 HydrophobicContact CE2-SD 3.75Å; F129-M133 HydrophobicContact CG-CG 4.34Å; F129-M133 HydrophobicContact CZ-CG 3.62Å; F129-M133 HydrophobicContact CZ-SD 4.29Å; F129-M133 VanDerWaalsContact O-CG 3.29Å; F129-M133 WeakPolarHBondContact O-CG 3.46Å; F129-M133 PolarHBondContact O-N 3.41Å
130L96.3Very high96.6Very high6 Ų637 Ų373%0.03118%0.183CC..Hα-helixtrans-58.8-45.7-177.1-65.6165.4000112.7E126 P127 Q134 S151 V255 R258E126-L130 WeakPolarHBondContact O-CG 3.21Å; E126-L130 PolarHBondContact O-N 3.27Å; P127-L130 PolarHBondContact O-N 3.3Å; L130-Q134 PolarHBondContact O-N 3.32Å; L130-S151 WeakPolarHBondContact CD1-OG 3.49Å; L130-S151 VanDerWaalsContact CD2-OG 3.27Å; L130-S151 WeakPolarHBondContact CD2-OG 3.26Å; L130-V255 HydrophobicContact CD1-CG2 4.22Å; L130-R258 VanDerWaalsContact C-NH1 3.32Å; L130-R258 VanDerWaalsContact CB-NH1 3.32Å; L130-R258 PolarHBondContact O-NH1 3.07Å; L130-R258 PolarHBondContact O-NH2 2.76Å
131E95.6Very high96.6Very high30 Ų3037 Ų3714%0.1418%0.183CC..Hα-helixtrans-70.5-36.1177.6-72.9175.5-140.900111.8P127 F129 L135 L213 R214 S254P127-E131 VanDerWaalsContact O-CB 3.32Å; P127-E131 WeakPolarHBondContact O-CB 3.37Å; P127-E131 WeakPolarHBondContact O-CG 3.34Å; P127-E131 PolarHBondContact O-N 2.86Å; F129-E131 PolarHBondContact O-N 3.11Å; E131-L135 WeakPolarHBondContact O-CB 3.45Å; E131-L135 PolarHBondContact O-N 3.28Å; E131-L213 HydrophobicContact CB-CD2 3.69Å; E131-R214 IonicContact OE1-CZ 3.01Å; E131-R214 IonicContact OE1-NE 3.94Å; E131-R214 PolarHBondContact OE1-NE 3.09Å; E131-R214 IonicContact OE1-NH2 2.74Å; E131-R214 PolarHBondContact OE1-NH2 3.38Å; E131-R214 WeakPolarHBondContact OE2-CG 3.27Å; E131-R214 IonicContact OE2-CZ 2.69Å; E131-R214 IonicContact OE2-NE 3.37Å; E131-R214 PolarHBondContact OE2-NE 3.18Å; E131-R214 IonicContact OE2-NH2 3.85Å; E131-S254 PolarHBondContact OE1-OG 3.14Å
132L96.1Very high96.5Very high48 Ų4838.1 Ų38.125%0.25119%0.192SC..Hα-helixtrans-67.7-43.2179177.964.4000111.2Q128 F129 Q134 L135 K136 L213Q128-L132 WeakPolarHBondContact O-CB 3.37Å; Q128-L132 PolarHBondContact O-N 2.89Å; F129-L132 PolarHBondContact O-N 2.78Å; L132-Q134 VanDerWaalsContact C-N 3.33Å; L132-Q134 PolarHBondContact O-N 3.48Å; L132-L135 PolarHBondContact O-N 3.02Å; L132-K136 WeakPolarHBondContact O-CB 3.34Å; L132-K136 PolarHBondContact O-N 3.47Å; L132-L213 HydrophobicContact CB-CD1 4.47Å; L132-L213 HydrophobicContact CB-CD2 3.95Å; L132-L213 HydrophobicContact CD1-CD1 3.92Å
133M97.7Very high96.5Very high3 Ų344.5 Ų44.52%0.01523%0.226CC..Hα-helixtrans-63.2-41.1179-66.5-56.595.200111.1E107 I110 F129 K136 Y137E107-M133 HydrophobicContact CB-CE 3.88Å; E107-M133 HydrophobicContact CB-SD 3.81Å; E107-M133 HydrophobicContact CG-CE 3.95Å; E107-M133 HydrophobicContact CG-SD 3.99Å; I110-M133 HydrophobicContact CD1-CB 4.06Å; I110-M133 HydrophobicContact CD1-CG 3.51Å; I110-M133 HydrophobicContact CD1-SD 3.69Å; F129-M133 HydrophobicContact CD1-CG 4.44Å; F129-M133 HydrophobicContact CD2-CE 4.41Å; F129-M133 HydrophobicContact CD2-CG 3.86Å; F129-M133 HydrophobicContact CD2-SD 4.35Å; F129-M133 HydrophobicContact CE1-CG 4.12Å; F129-M133 HydrophobicContact CE2-CE 4.35Å; F129-M133 HydrophobicContact CE2-CG 3.45Å; F129-M133 VanDerWaalsContact CE2-CG 3.45Å; F129-M133 HydrophobicContact CE2-SD 3.75Å; F129-M133 HydrophobicContact CG-CG 4.34Å; F129-M133 HydrophobicContact CZ-CG 3.62Å; F129-M133 HydrophobicContact CZ-SD 4.29Å; F129-M133 VanDerWaalsContact O-CG 3.29Å; F129-M133 WeakPolarHBondContact O-CG 3.46Å; F129-M133 PolarHBondContact O-N 3.41Å; M133-K136 PolarHBondContact O-N 2.8Å; M133-Y137 HydrophobicContact CE-CD2 4.4Å; M133-Y137 HydrophobicContact CE-CE2 4.08Å; M133-Y137 WeakPolarHBondContact O-CB 3.48Å; M133-Y137 PolarHBondContact O-N 2.94Å; M133-Y137 HydrophobicContact SD-CD2 3.85Å; M133-Y137 HydrophobicContact SD-CE2 3.78Å
134Q96.4Very high96.5Very high60 Ų6049 Ų4928%0.2825%0.245SC..Hα-helixtrans-62.3-48.8174.1-176.1177.7-5.900111.7L130 L132 K136 H138 V398L130-Q134 PolarHBondContact O-N 3.32Å; L132-Q134 VanDerWaalsContact C-N 3.33Å; L132-Q134 PolarHBondContact O-N 3.48Å; Q134-K136 VanDerWaalsContact C-N 3.27Å; Q134-K136 PolarHBondContact O-N 3.3Å; Q134-H138 HydrophobicContact CG-CB 4.3Å; Q134-H138 WeakPolarHBondContact O-CB 3.24Å; Q134-H138 PolarHBondContact O-N 2.87Å; Q134-H138 VanDerWaalsContact O-N 3.14Å; Q134-V398 HydrophobicContact CB-CB 4.19Å; Q134-V398 HydrophobicContact CB-CG1 3.87Å; Q134-V398 HydrophobicContact CG-CB 4.34Å; Q134-V398 HydrophobicContact CG-CG1 4.46Å
135L95.5Very high96.6Very high95 Ų9551.2 Ų51.250%0.49727%0.268SS..Hα-helixtrans-59.3-38.7-179.4-176.965.1000112.4E131 L132 L213E131-L135 WeakPolarHBondContact O-CB 3.45Å; E131-L135 PolarHBondContact O-N 3.28Å; L132-L135 PolarHBondContact O-N 3.02Å; L135-L213 HydrophobicContact CD2-CD1 3.55Å
136K96.8Very high96.8Very high105 Ų10550.2 Ų50.246%0.45726%0.256SS..Hα-helixtrans-87.6-32.5-173.3-174.3169.7176.61800114E107 L132 M133 Q134E107-K136 WeakPolarHBondContact OE1-CD 3.29Å; E107-K136 VanDerWaalsContact OE1-CE 3.26Å; E107-K136 WeakPolarHBondContact OE1-CE 3.4Å; E107-K136 IonicContact OE1-NZ 2.72Å; E107-K136 PolarHBondContact OE1-NZ 3.43Å; L132-K136 WeakPolarHBondContact O-CB 3.34Å; L132-K136 PolarHBondContact O-N 3.47Å; M133-K136 PolarHBondContact O-N 2.8Å; Q134-K136 VanDerWaalsContact C-N 3.27Å; Q134-K136 PolarHBondContact O-N 3.3Å
137Y98.3Very high97Very high12 Ų1251.6 Ų51.65%0.04726%0.261CS..Hα-helixtrans-123.2-4.5-165-66.1-74.8000115.3E107 I110 K111 I114 M133 E139 K140 A141E107-Y137 HydrophobicContact CG-CE2 3.94Å; E107-Y137 WeakPolarHBondContact OE1-CE2 3.2Å; E107-Y137 PolarHBondContact OE1-OH 2.64Å; I110-Y137 HydrophobicContact CG2-CD2 4.13Å; I110-Y137 HydrophobicContact CG2-CG 4.2Å; K111-Y137 HydrophobicContact CB-CE1 4.5Å; I114-Y137 HydrophobicContact CD1-CD1 3.71Å; I114-Y137 HydrophobicContact CD1-CG 3.91Å; M133-Y137 HydrophobicContact CE-CD2 4.4Å; M133-Y137 HydrophobicContact CE-CE2 4.08Å; M133-Y137 WeakPolarHBondContact O-CB 3.48Å; M133-Y137 PolarHBondContact O-N 2.94Å; M133-Y137 HydrophobicContact SD-CD2 3.85Å; M133-Y137 HydrophobicContact SD-CE2 3.78Å; Y137-E139 PolarHBondContact O-N 3.29Å; Y137-K140 HydrophobicContact CD1-CD 4.37Å; Y137-K140 PolarHBondContact O-N 3.48Å; Y137-A141 VanDerWaalsContact O-CB 3.32Å; Y137-A141 WeakPolarHBondContact O-CB 3.37Å; Y137-A141 PolarHBondContact O-N 2.89Å
138H97.8Very high97.2Very high49 Ų4950.5 Ų50.523%0.22725%0.254CS..Hα-helixtrans-54.3-56.1-178.8-177.283000112.4Q134 K140 A141 A142 V398 F399Q134-H138 HydrophobicContact CG-CB 4.3Å; Q134-H138 WeakPolarHBondContact O-CB 3.24Å; Q134-H138 PolarHBondContact O-N 2.87Å; Q134-H138 VanDerWaalsContact O-N 3.14Å; H138-K140 PolarHBondContact O-N 3.33Å; H138-A141 PolarHBondContact O-N 3.01Å; H138-A142 PolarHBondContact O-N 3.11Å; H138-V398 HydrophobicContact CB-CB 4.39Å; H138-V398 HydrophobicContact CB-CG2 4.47Å; H138-V398 PolarHBondContact ND1-N 3.41Å; H138-V398 PolarHBondContact ND1-O 2.83Å; H138-F399 AromaticContact CE1-CE1 4Å
139E97.8Very high97.4Very high129 Ų12949.2 Ų49.260%0.60325%0.248SC*.Hα-helixtrans-60-46.4179.8-59-55.1140.400112.2Y137 A141 A142 D143Y137-E139 PolarHBondContact O-N 3.29Å; E139-A141 VanDerWaalsContact C-N 3.31Å; E139-A141 PolarHBondContact O-N 3.06Å; E139-A142 WeakPolarHBondContact O-CB 3.37Å; E139-A142 PolarHBondContact O-N 3.32Å; E139-A142 VanDerWaalsContact O-N 3.1Å; E139-D143 VanDerWaalsContact O-CG 3.31Å; E139-D143 PolarHBondContact O-N 3.45Å
140K98.3Very high97.5Very high119 Ų11949.3 Ų49.352%0.51725%0.25SS..Hα-helixtrans-62.4-37.7-179.6-67.8-175.6176.9-175.40112.8I114 Y137 H138 K144I114-K140 HydrophobicContact CG2-CB 4.19Å; Y137-K140 HydrophobicContact CD1-CD 4.37Å; Y137-K140 PolarHBondContact O-N 3.48Å; H138-K140 PolarHBondContact O-N 3.33Å; K140-K144 WeakPolarHBondContact O-CB 3.39Å; K140-K144 VanDerWaalsContact O-CG 3.29Å; K140-K144 WeakPolarHBondContact O-CG 3.31Å; K140-K144 PolarHBondContact O-N 2.94Å
141A98.6Very high97.6Very high0 Ų049.1 Ų49.10%025%0.249CC..Hα-helixtrans-70.9-36.9176.100000111.3I114 Y137 H138 E139 K144 G145 V146 I148 V398I114-A141 HydrophobicContact CD1-CB 4.05Å; I114-A141 HydrophobicContact CG1-CB 4.16Å; Y137-A141 VanDerWaalsContact O-CB 3.32Å; Y137-A141 WeakPolarHBondContact O-CB 3.37Å; Y137-A141 PolarHBondContact O-N 2.89Å; H138-A141 PolarHBondContact O-N 3.01Å; E139-A141 VanDerWaalsContact C-N 3.31Å; E139-A141 PolarHBondContact O-N 3.06Å; A141-K144 PolarHBondContact O-N 3.02Å; A141-G145 PolarHBondContact O-N 2.79Å; A141-V146 HydrophobicContact CB-CG2 4.02Å; A141-V146 PolarHBondContact O-N 3.02Å; A141-I148 HydrophobicContact CB-CG1 4.18Å; A141-V398 HydrophobicContact CB-CG2 4.5Å
142A98.3Very high97.7Very high23 Ų2347.7 Ų47.719%0.1924%0.243CC..Hα-helixtrans-62.3-49.1173.500000112.3H138 E139 K144 G145 A395 G396H138-A142 PolarHBondContact O-N 3.11Å; E139-A142 WeakPolarHBondContact O-CB 3.37Å; E139-A142 PolarHBondContact O-N 3.32Å; E139-A142 VanDerWaalsContact O-N 3.1Å; A142-K144 PolarHBondContact O-N 3.18Å; A142-G145 PolarHBondContact O-N 3.13Å; A142-A395 HydrophobicContact CB-CB 4.43Å; A142-G396 WeakPolarHBondContact CA-O 3.09Å; A142-G396 WeakPolarHBondContact CB-O 3.48Å
143D98.1Very high97.7Very high136 Ų13645.5 Ų45.573%0.72723%0.232SC*.Hα-helixtrans-58.4-35176.9-69.9-22.1000112.4E139E139-D143 VanDerWaalsContact O-CG 3.31Å; E139-D143 PolarHBondContact O-N 3.45Å
144K97.5Very high97.7Very high125 Ų12546.9 Ų46.954%0.54324%0.238SC..Hα-helixtrans-84.4-9.4177.8-71.5-71.8-175.1172.40113.7I114 K140 A141 A142 V146I114-K144 HydrophobicContact CG2-CB 4.44Å; I114-K144 HydrophobicContact CG2-CG 4.03Å; K140-K144 WeakPolarHBondContact O-CB 3.39Å; K140-K144 VanDerWaalsContact O-CG 3.29Å; K140-K144 WeakPolarHBondContact O-CG 3.31Å; K140-K144 PolarHBondContact O-N 2.94Å; A141-K144 PolarHBondContact O-N 3.02Å; A142-K144 PolarHBondContact O-N 3.18Å; K144-V146 VanDerWaalsContact C-N 3.28Å; K144-V146 HydrophobicContact CB-CG1 4.42Å; K144-V146 HydrophobicContact CB-CG2 4.11Å; K144-V146 PolarHBondContact O-N 3.05Å
145G97.3Very high97.3Very high46 Ų4646 Ų4647%0.47424%0.235SC..THydrogen-bonded Turntrans65.826.8-176.500000114.1A141 A142A141-G145 PolarHBondContact O-N 2.79Å; A142-G145 PolarHBondContact O-N 3.13Å
146V98.3Very high97.3Very high5 Ų541.5 Ų41.53%0.0321%0.211CC..  trans-110152.7179.5-60.80000111.7I114 A141 K144 G396 G397I114-V146 HydrophobicContact CB-CG2 4.45Å; I114-V146 HydrophobicContact CG1-CG2 4.04Å; A141-V146 HydrophobicContact CB-CG2 4.02Å; A141-V146 PolarHBondContact O-N 3.02Å; K144-V146 VanDerWaalsContact C-N 3.28Å; K144-V146 HydrophobicContact CB-CG1 4.42Å; K144-V146 HydrophobicContact CB-CG2 4.11Å; K144-V146 PolarHBondContact O-N 3.05Å; V146-G396 CarbonylContact O-C 3.58Å; V146-G396 WeakPolarHBondContact O-CA 3.43Å; V146-G397 PolarHBondContact O-N 2.96Å
147Y98.7Very high97.4Very high34 Ų3436.5 Ų36.513%0.13319%0.19CC..EExtended strand (participates in β ladder)trans-108.6127.4-178.2-60-93.4000110.8S119 C120 L385 L392 P393 A395 F399S119-Y147 CarbonylContact C-O 3.55Å; S119-Y147 WeakPolarHBondContact CA-O 3.28Å; S119-Y147 WeakPolarHBondContact CB-O 3.43Å; S119-Y147 PolarHBondContact OG-N 2.63Å; C120-Y147 PolarHBondContact N-O 3.19Å; Y147-L385 HydrophobicContact CD1-CD1 4.47Å; Y147-L385 HydrophobicContact CD2-CD1 4.05Å; Y147-L385 HydrophobicContact CG-CD1 3.81Å; Y147-L392 HydrophobicContact CD2-CD1 4.49Å; Y147-L392 HydrophobicContact CE1-CB 4.15Å; Y147-L392 HydrophobicContact CE1-CD1 4.32Å; Y147-L392 HydrophobicContact CE2-CD1 4.13Å; Y147-P393 HydrophobicContact CE1-CB 4.39Å; Y147-P393 PolarHBondContact OH-O 3.04Å; Y147-A395 WeakPolarHBondContact CE1-O 3.29Å; Y147-F399 HydrophobicContact CD1-CD2 4.01Å; Y147-F399 AromaticContact CD1-CE2 3.75Å; Y147-F399 HydrophobicContact CD1-CE2 3.75Å; Y147-F399 HydrophobicContact CE1-CE2 4.15Å
148I98.8Very high97.4Very high3 Ų336 Ų362%0.01519%0.188CC..EExtended strand (participates in β ladder)trans-111.4108.2171.2-50.7-60.6000107.4I110 I114 C120 A141 G397 V398 F399I110-I148 HydrophobicContact CD1-CG2 3.85Å; I110-I148 HydrophobicContact CG1-CG2 3.91Å; I110-I148 HydrophobicContact CG2-CD1 4.27Å; I110-I148 HydrophobicContact CG2-CG1 4.27Å; I110-I148 HydrophobicContact CG2-CG2 4.2Å; I114-I148 HydrophobicContact CD1-CD1 4.36Å; I114-I148 HydrophobicContact CD1-CG1 4.12Å; I114-I148 HydrophobicContact CG1-CD1 3.91Å; I114-I148 HydrophobicContact CG1-CG1 4.1Å; C120-I148 HydrophobicContact CB-CD1 3.66Å; C120-I148 CarbonylContact O-C 3.54Å; C120-I148 WeakPolarHBondContact O-CA 3.46Å; A141-I148 HydrophobicContact CB-CG1 4.18Å; I148-G397 PolarHBondContact N-O 2.75Å; I148-V398 HydrophobicContact CB-CB 4.37Å; I148-V398 HydrophobicContact CB-CG1 4.35Å; I148-V398 HydrophobicContact CB-CG2 3.95Å; I148-V398 HydrophobicContact CG1-CG2 4.24Å; I148-V398 HydrophobicContact CG2-CG1 4.33Å; I148-V398 HydrophobicContact CG2-CG2 4.4Å; I148-V398 CarbonylContact O-C 3.38Å; I148-V398 VanDerWaalsContact O-CA 3.31Å; I148-V398 WeakPolarHBondContact O-CA 3.18Å; I148-F399 PolarHBondContact O-N 3.32Å
149I98.6Very high97.4Very high0 Ų033.7 Ų33.70%018%0.177CC..EExtended strand (participates in β ladder)trans-116103.6-174.6-47.6-179.7000109.4C120 I121 D122 S152 L385 F399 P401 A404 F405C120-I149 PolarHBondContact O-N 2.99Å; I121-I149 WeakPolarHBondContact CA-O 3.4Å; I121-I149 HydrophobicContact CG1-CB 4.29Å; D122-I149 PolarHBondContact N-O 3.47Å; D122-I149 VanDerWaalsContact N-O 3.13Å; I149-S152 WeakPolarHBondContact CG2-OG 3.31Å; I149-S152 PolarHBondContact O-OG 3.43Å; I149-L385 HydrophobicContact CD1-CD1 3.57Å; I149-F399 WeakPolarHBondContact CA-O 3.42Å; I149-P401 HydrophobicContact CG2-CG 4.48Å; I149-A404 HydrophobicContact CD1-CB 3.69Å; I149-A404 HydrophobicContact CG1-CB 4.25Å; I149-A404 HydrophobicContact CG2-CB 4.39Å; I149-F405 HydrophobicContact CD1-CE1 4.01Å; I149-F405 HydrophobicContact CD1-CE2 3.67Å; I149-F405 HydrophobicContact CD1-CZ 3.28Å; I149-F405 HydrophobicContact CG2-CE2 3.98Å
150G97.4Very high97.5Very high7 Ų727.6 Ų27.67%0.07215%0.149CC..  trans-80.8162.6178.600000112.5D122 S152 F399 P401D122-G150 VanDerWaalsContact OD1-CA 3.31Å; D122-G150 WeakPolarHBondContact OD1-CA 3.44Å; G150-S152 VanDerWaalsContact C-N 3.26Å; G150-S152 PolarHBondContact O-N 3.22Å; G150-F399 PolarHBondContact N-O 3.21Å; G150-P401 VanDerWaalsContact O-CD 3.31Å; G150-P401 WeakPolarHBondContact O-CD 3.44Å; G150-P401 WeakPolarHBondContact O-CG 3.38Å
151S97.3Very high97.5Very high2 Ų222 Ų221%0.01412%0.124CC..  trans58.833171.8-55.30000114.7D122 S124 L130 G153 D155 S156 P401D122-S151 PolarHBondContact O-N 3.14Å; D122-S151 PolarHBondContact OD1-N 2.74Å; S124-S151 WeakPolarHBondContact O-CA 3.25Å; S124-S151 PolarHBondContact O-OG 2.62Å; L130-S151 WeakPolarHBondContact CD1-OG 3.49Å; L130-S151 VanDerWaalsContact CD2-OG 3.27Å; L130-S151 WeakPolarHBondContact CD2-OG 3.26Å; S151-G153 PolarHBondContact O-N 3.24Å; S151-D155 WeakPolarHBondContact CB-O 3.35Å; S151-S156 PolarHBondContact O-N 3.38Å; S151-P401 WeakPolarHBondContact O-CG 3.42Å
152S97.9Very high97.5Very high0 Ų022 Ų220%012%0.124CC..  trans-85.640.2-179.8-57.70000112.5I121 D122 I149 G150 A377 M378I121-S152 WeakPolarHBondContact CG2-OG 3.35Å; D122-S152 WeakPolarHBondContact O-CA 3.23Å; D122-S152 WeakPolarHBondContact O-CB 3.25Å; D122-S152 PolarHBondContact O-N 3.06Å; I149-S152 WeakPolarHBondContact CG2-OG 3.31Å; I149-S152 PolarHBondContact O-OG 3.43Å; G150-S152 VanDerWaalsContact C-N 3.26Å; G150-S152 PolarHBondContact O-N 3.22Å; S152-A377 CarbonylContact O-C 3.6Å; S152-M378 WeakPolarHBondContact O-CA 3.43Å; S152-M378 WeakPolarHBondContact O-CB 3.07Å; S152-M378 PolarHBondContact O-N 3.24Å; S152-M378 VanDerWaalsContact O-N 3.1Å
153G97.3Very high97.5Very high2 Ų220.9 Ų20.92%0.02112%0.115CC..SBendtrans-127-160.517500000110.9S151 D155 S156 I157S151-G153 PolarHBondContact O-N 3.24Å; G153-D155 VanDerWaalsContact C-N 3.26Å; G153-D155 PolarHBondContact O-N 3.39Å; G153-S156 PolarHBondContact O-N 3.13Å; G153-S156 VanDerWaalsContact O-N 3.1Å; G153-I157 WeakPolarHBondContact O-CB 3.39Å; G153-I157 PolarHBondContact O-N 2.87Å
154F96.4Very high97.5Very high33 Ų3314.5 Ų14.515%0.1458%0.081CC..THydrogen-bonded Turntrans-59.4-38172.2173.5-95.9000112.6S156 P158 L181 I183 F336 A369 T374F154-S156 WeakPolarHBondContact O-CA 3.44Å; F154-S156 PolarHBondContact O-N 3.1Å; F154-S156 VanDerWaalsContact O-N 3.16Å; F154-P158 HydrophobicContact CD2-CG 3.92Å; F154-P158 HydrophobicContact CE2-CG 4.36Å; F154-P158 VanDerWaalsContact O-CD 3.3Å; F154-P158 WeakPolarHBondContact O-CD 3.39Å; F154-L181 HydrophobicContact CE1-CD2 4.15Å; F154-L181 HydrophobicContact CE2-CD1 4.41Å; F154-L181 HydrophobicContact CZ-CD1 3.69Å; F154-L181 HydrophobicContact CZ-CD2 3.91Å; F154-L181 HydrophobicContact CZ-CG 4.47Å; F154-I183 HydrophobicContact CZ-CD1 4.43Å; F154-F336 AromaticContact CD2-CD1 3.87Å; F154-F336 HydrophobicContact CD2-CD1 3.87Å; F154-F336 HydrophobicContact CD2-CD2 4.5Å; F154-F336 AromaticContact CD2-CE1 3.8Å; F154-F336 HydrophobicContact CD2-CE1 3.8Å; F154-F336 HydrophobicContact CD2-CE2 4.41Å; F154-F336 HydrophobicContact CD2-CG 4.25Å; F154-F336 HydrophobicContact CD2-CZ 4.07Å; F154-F336 HydrophobicContact CE2-CB 4.09Å; F154-F336 AromaticContact CE2-CD1 3.56Å; F154-F336 HydrophobicContact CE2-CD1 3.56Å; F154-F336 AromaticContact CE2-CD2 3.61Å; F154-F336 HydrophobicContact CE2-CD2 3.61Å; F154-F336 AromaticContact CE2-CE1 3.82Å; F154-F336 HydrophobicContact CE2-CE1 3.82Å; F154-F336 AromaticContact CE2-CE2 3.86Å; F154-F336 HydrophobicContact CE2-CE2 3.86Å; F154-F336 AromaticContact CE2-CG 3.46Å; F154-F336 HydrophobicContact CE2-CG 3.46Å; F154-F336 VanDerWaalsContact CE2-CG 3.46Å; F154-F336 AromaticContact CE2-CZ 3.96Å; F154-F336 HydrophobicContact CE2-CZ 3.96Å; F154-F336 HydrophobicContact CZ-CB 4.43Å; F154-F336 HydrophobicContact CZ-CD2 4.45Å; F154-F336 HydrophobicContact CZ-CG 4.25Å; F154-A369 HydrophobicContact CB-CB 4.35Å; F154-A369 WeakPolarHBondContact CB-O 3.48Å; F154-A369 HydrophobicContact CD1-CB 3.71Å; F154-A369 HydrophobicContact CD2-CB 3.7Å; F154-A369 HydrophobicContact CE1-CB 3.85Å; F154-A369 HydrophobicContact CE2-CB 3.87Å; F154-A369 HydrophobicContact CG-CB 3.62Å; F154-A369 HydrophobicContact CZ-CB 3.93Å; F154-T374 WeakPolarHBondContact CB-OG1 3.07Å; F154-T374 PolarHBondContact N-OG1 2.97Å
155D88.6Confident97.6Very high42 Ų429.9 Ų9.923%0.2256%0.06CC..THydrogen-bonded Turntrans-88.857.5169.8-163.63.2000109.1G125 S151 G153 S251G125-D155 VanDerWaalsContact CA-OD2 3.26Å; G125-D155 WeakPolarHBondContact CA-OD2 3.48Å; S151-D155 WeakPolarHBondContact CB-O 3.35Å; G153-D155 VanDerWaalsContact C-N 3.26Å; G153-D155 PolarHBondContact O-N 3.39Å; D155-S251 VanDerWaalsContact CG-OG 3.29Å; D155-S251 WeakPolarHBondContact OD1-CB 3.15Å; D155-S251 PolarHBondContact OD1-N 3.32Å; D155-S251 PolarHBondContact OD1-OG 3.2Å
156S95.3Very high97.7Very high0 Ų07.7 Ų7.70%04%0.038CC..THydrogen-bonded Turn-1760.886.9-80.10000113.4S151 G153 F154 A159 D160 S251 D252S151-S156 PolarHBondContact O-N 3.38Å; G153-S156 PolarHBondContact O-N 3.13Å; G153-S156 VanDerWaalsContact O-N 3.1Å; F154-S156 WeakPolarHBondContact O-CA 3.44Å; F154-S156 PolarHBondContact O-N 3.1Å; F154-S156 VanDerWaalsContact O-N 3.16Å; S156-A159 PolarHBondContact O-N 3.15Å; S156-A159 VanDerWaalsContact O-N 3.13Å; S156-D160 VanDerWaalsContact O-CB 3.3Å; S156-D160 WeakPolarHBondContact O-CB 3.39Å; S156-D160 PolarHBondContact O-N 2.86Å; S156-S251 PolarHBondContact OG-OG 2.8Å; S156-D252 WeakPolarHBondContact CA-OD1 3.4Å; S156-D252 WeakPolarHBondContact CB-OD1 3.49Å; S156-D252 WeakPolarHBondContact OG-CA 3.23Å; S156-D252 PolarHBondContact OG-N 2.97Å; S156-D252 PolarHBondContact OG-OD1 2.83Å
157I98.5Very high97.6Very high0 Ų08.8 Ų8.80%04%0.042CC..Hα-helixtrans-52-50.4-179.5-84.6174.6000113G153 A159 D160 L161 A377 A381 P401 L414G153-I157 WeakPolarHBondContact O-CB 3.39Å; G153-I157 PolarHBondContact O-N 2.87Å; I157-A159 VanDerWaalsContact C-N 3.31Å; I157-A159 PolarHBondContact O-N 2.96Å; I157-D160 PolarHBondContact O-N 2.84Å; I157-L161 HydrophobicContact CG2-CD1 3.9Å; I157-L161 HydrophobicContact CG2-CG 4.42Å; I157-L161 WeakPolarHBondContact O-CB 3.34Å; I157-L161 PolarHBondContact O-N 3.31Å; I157-A377 HydrophobicContact CB-CB 4.23Å; I157-A377 HydrophobicContact CD1-CB 3.84Å; I157-A377 HydrophobicContact CG2-CB 4.17Å; I157-A381 HydrophobicContact CD1-CB 4.14Å; I157-P401 HydrophobicContact CD1-CB 4.36Å; I157-P401 HydrophobicContact CG1-CB 3.61Å; I157-P401 HydrophobicContact CG1-CG 3.79Å; I157-L414 HydrophobicContact CG2-CD1 3.59Å
158P98.4Very high97.5Very high1 Ų112 Ų121%0.0066%0.061CC..Hα-helixtrans-56.9-42.2177.8-27.636.2000113.2F154 G162 F336 L338 F340 V364F154-P158 HydrophobicContact CD2-CG 3.92Å; F154-P158 HydrophobicContact CE2-CG 4.36Å; F154-P158 VanDerWaalsContact O-CD 3.3Å; F154-P158 WeakPolarHBondContact O-CD 3.39Å; P158-G162 VanDerWaalsContact O-CA 3.27Å; P158-G162 WeakPolarHBondContact O-CA 3.46Å; P158-G162 PolarHBondContact O-N 2.98Å; P158-F336 HydrophobicContact CB-CE2 4.2Å; P158-F336 HydrophobicContact CB-CZ 4.37Å; P158-F336 HydrophobicContact CG-CE2 4.37Å; P158-F336 HydrophobicContact CG-CZ 4.08Å; P158-L338 HydrophobicContact CB-CD2 4Å; P158-F340 WeakPolarHBondContact O-CZ 3.3Å; P158-V364 HydrophobicContact CB-CG1 4.06Å
159A98.5Very high97.4Very high1 Ų117.1 Ų17.11%0.0088%0.083CC..Hα-helixtrans-71.3-47.1179.600000112.3S156 I157 G162 V163 D252 L338S156-A159 PolarHBondContact O-N 3.15Å; S156-A159 VanDerWaalsContact O-N 3.13Å; I157-A159 VanDerWaalsContact C-N 3.31Å; I157-A159 PolarHBondContact O-N 2.96Å; A159-G162 PolarHBondContact O-N 3.27Å; A159-V163 WeakPolarHBondContact O-CG2 3.5Å; A159-V163 PolarHBondContact O-N 3.3Å; A159-D252 HydrophobicContact CB-CB 3.85Å; A159-D252 WeakPolarHBondContact CB-OD2 3.46Å; A159-L338 HydrophobicContact CB-CD2 3.95Å
160D98.7Very high97.2Very high0 Ų017.7 Ų17.70%09%0.086CC..Hα-helixtrans-70.6-53.9-174.3-160.422.4000111.7S156 I157 G162 V163 I164 V255 V256 T259 G402S156-D160 VanDerWaalsContact O-CB 3.3Å; S156-D160 WeakPolarHBondContact O-CB 3.39Å; S156-D160 PolarHBondContact O-N 2.86Å; I157-D160 PolarHBondContact O-N 2.84Å; D160-G162 PolarHBondContact O-N 3.35Å; D160-V163 PolarHBondContact O-N 2.92Å; D160-I164 PolarHBondContact O-N 3.45Å; D160-V255 HydrophobicContact CB-CG1 4.1Å; D160-V255 WeakPolarHBondContact OD2-CG1 3.2Å; D160-V256 HydrophobicContact CB-CG2 4.32Å; D160-V256 WeakPolarHBondContact OD1-CA 3.5Å; D160-T259 WeakPolarHBondContact OD1-CB 3.21Å; D160-T259 WeakPolarHBondContact OD1-CG2 3.26Å; D160-T259 PolarHBondContact OD1-OG1 2.84Å; D160-T259 PolarHBondContact OD2-OG1 3.48Å; D160-G402 WeakPolarHBondContact OD2-CA 3.46Å; D160-G402 PolarHBondContact OD2-N 3.29Å
161L98.8Very high96.9Very high1 Ų122.9 Ų22.91%0.00511%0.112CC..Hα-helixtrans-69.5-23.6174.3-60.1-175.6000112.3I157 V163 I164 Y165 L410 I411 L414 F421I157-L161 HydrophobicContact CG2-CD1 3.9Å; I157-L161 HydrophobicContact CG2-CG 4.42Å; I157-L161 WeakPolarHBondContact O-CB 3.34Å; I157-L161 PolarHBondContact O-N 3.31Å; L161-V163 VanDerWaalsContact C-N 3.31Å; L161-V163 PolarHBondContact O-N 2.85Å; L161-I164 HydrophobicContact CD2-CG1 4.44Å; L161-I164 PolarHBondContact O-N 2.91Å; L161-Y165 VanDerWaalsContact O-CB 3.3Å; L161-Y165 WeakPolarHBondContact O-CB 3.31Å; L161-Y165 PolarHBondContact O-N 2.74Å; L161-L410 HydrophobicContact CD1-CB 4.37Å; L161-L410 HydrophobicContact CD1-CD2 3.59Å; L161-L410 HydrophobicContact CD1-CG 3.74Å; L161-I411 HydrophobicContact CB-CD1 4.32Å; L161-I411 HydrophobicContact CB-CG1 4.14Å; L161-I411 HydrophobicContact CD1-CG1 4.09Å; L161-L414 HydrophobicContact CD1-CD1 3.76Å; L161-F421 HydrophobicContact CB-CE1 4Å; L161-F421 HydrophobicContact CB-CZ 4.05Å
162G98.7Very high96.7Very high0 Ų024.1 Ų24.10%013%0.125CC..Hα-helixtrans-64.2-36173.900000112.4P158 A159 D160 T166P158-G162 VanDerWaalsContact O-CA 3.27Å; P158-G162 WeakPolarHBondContact O-CA 3.46Å; P158-G162 PolarHBondContact O-N 2.98Å; A159-G162 PolarHBondContact O-N 3.27Å; D160-G162 PolarHBondContact O-N 3.35Å; G162-T166 WeakPolarHBondContact O-CB 3.47Å; G162-T166 PolarHBondContact O-N 3.13Å; G162-T166 PolarHBondContact O-OG1 3.44Å
163V98.8Very high96.5Very high0 Ų026.2 Ų26.20%014%0.138CC..Hα-helixtrans-68.2-42.5171.7175.70000111.1A159 D160 L161 T166 R167 V177 V256 V272 Y274 F340A159-V163 WeakPolarHBondContact O-CG2 3.5Å; A159-V163 PolarHBondContact O-N 3.3Å; D160-V163 PolarHBondContact O-N 2.92Å; L161-V163 VanDerWaalsContact C-N 3.31Å; L161-V163 PolarHBondContact O-N 2.85Å; V163-T166 PolarHBondContact O-N 3.34Å; V163-R167 PolarHBondContact O-N 3.19Å; V163-V177 HydrophobicContact CG2-CG1 4.23Å; V163-V256 HydrophobicContact CG2-CG1 4.12Å; V163-V256 HydrophobicContact CG2-CG2 4.44Å; V163-V272 HydrophobicContact CG1-CB 4.18Å; V163-V272 HydrophobicContact CG1-CG1 3.98Å; V163-Y274 HydrophobicContact CG2-CD2 3.74Å; V163-Y274 HydrophobicContact CG2-CE2 3.8Å; V163-F340 HydrophobicContact CG2-CD1 4.4Å; V163-F340 HydrophobicContact CG2-CE1 4.24Å
164I98.6Very high96.4Very high2 Ų226.3 Ų26.31%0.0114%0.138CC..Hα-helixtrans-60.3-48.4175.3-56.4-56.7000111D160 L161 T166 R167 N168 T259 L263D160-I164 PolarHBondContact O-N 3.45Å; L161-I164 HydrophobicContact CD2-CG1 4.44Å; L161-I164 PolarHBondContact O-N 2.91Å; I164-T166 VanDerWaalsContact C-N 3.33Å; I164-T166 PolarHBondContact O-N 3.5Å; I164-R167 WeakPolarHBondContact O-CB 3.38Å; I164-R167 PolarHBondContact O-N 3.2Å; I164-N168 PolarHBondContact O-N 3.41Å; I164-N168 PolarHBondContact O-OD1 3.22Å; I164-T259 HydrophobicContact CD1-CG2 4.01Å; I164-L263 HydrophobicContact CD1-CD1 3.43Å; I164-L263 VanDerWaalsContact CD1-CD1 3.43Å
165Y98.7Very high96.4Very high28 Ų2824.8 Ų24.811%0.1113%0.131CC..Hα-helixtrans-58.7-46177.1-177.1-94.1000111.3L161 R167 N168 K169 T362 I411 F421 S422 V423L161-Y165 VanDerWaalsContact O-CB 3.3Å; L161-Y165 WeakPolarHBondContact O-CB 3.31Å; L161-Y165 PolarHBondContact O-N 2.74Å; Y165-R167 VanDerWaalsContact C-N 3.31Å; Y165-R167 PolarHBondContact O-N 3.46Å; Y165-N168 PolarHBondContact O-N 2.96Å; Y165-K169 HydrophobicContact CD1-CG 4.07Å; Y165-K169 HydrophobicContact CD2-CG 4.46Å; Y165-K169 HydrophobicContact CE1-CG 3.69Å; Y165-K169 HydrophobicContact CE2-CD 4.48Å; Y165-K169 VanDerWaalsContact CE2-CE 3.48Å; Y165-K169 HydrophobicContact CE2-CG 4.16Å; Y165-K169 HydrophobicContact CG-CG 4.44Å; Y165-K169 WeakPolarHBondContact O-CG 3.2Å; Y165-K169 PolarHBondContact O-N 3.26Å; Y165-T362 HydrophobicContact CD1-CG2 4.13Å; Y165-T362 HydrophobicContact CE1-CG2 4.15Å; Y165-I411 HydrophobicContact CD2-CD1 4.39Å; Y165-I411 HydrophobicContact CD2-CG2 4.02Å; Y165-I411 HydrophobicContact CE2-CG2 4.46Å; Y165-F421 HydrophobicContact CD1-CB 4.19Å; Y165-F421 HydrophobicContact CD1-CD1 4.38Å; Y165-F421 HydrophobicContact CD2-CB 3.72Å; Y165-F421 HydrophobicContact CD2-CD1 4.12Å; Y165-F421 HydrophobicContact CD2-CG 4.25Å; Y165-F421 HydrophobicContact CE1-CB 4.13Å; Y165-F421 HydrophobicContact CE2-CB 3.6Å; Y165-F421 HydrophobicContact CG-CB 3.99Å; Y165-F421 AromaticContact CG-CD1 3.84Å; Y165-F421 HydrophobicContact CG-CD1 3.84Å; Y165-F421 HydrophobicContact CG-CG 4.35Å; Y165-F421 PolarHBondContact OH-O 3.28Å; Y165-F421 VanDerWaalsContact OH-O 3.07Å; Y165-S422 WeakPolarHBondContact OH-CA 3.46Å; Y165-V423 HydrophobicContact CE1-CG2 4.17Å
166T98.6Very high96.8Very high0 Ų023 Ų230%012%0.123CC..Hα-helixtrans-60.5-40.8178.1-56.90000111.9G162 V163 I164 M170 L174 V177 I360 T362G162-T166 WeakPolarHBondContact O-CB 3.47Å; G162-T166 PolarHBondContact O-N 3.13Å; G162-T166 PolarHBondContact O-OG1 3.44Å; V163-T166 PolarHBondContact O-N 3.34Å; I164-T166 VanDerWaalsContact C-N 3.33Å; I164-T166 PolarHBondContact O-N 3.5Å; T166-M170 PolarHBondContact O-N 3.11Å; T166-L174 HydrophobicContact CG2-CD1 4.25Å; T166-L174 HydrophobicContact CG2-CD2 3.88Å; T166-V177 HydrophobicContact CG2-CG2 4.29Å; T166-I360 HydrophobicContact CG2-CG2 3.51Å; T166-T362 HydrophobicContact CG2-CG2 4.14Å; T166-T362 PolarHBondContact OG1-OG1 3.36Å
167R97.4Very high96.9Very high29 Ų2923.1 Ų23.111%0.10912%0.123CC..Hα-helixtrans-60.4-53.1173.3175.3-175.4-65.3163.64.4110.4V163 I164 Y165 K169 M170 L174 E269 S270V163-R167 PolarHBondContact O-N 3.19Å; I164-R167 WeakPolarHBondContact O-CB 3.38Å; I164-R167 PolarHBondContact O-N 3.2Å; Y165-R167 VanDerWaalsContact C-N 3.31Å; Y165-R167 PolarHBondContact O-N 3.46Å; R167-K169 PolarHBondContact O-N 3.22Å; R167-M170 PolarHBondContact O-N 3.22Å; R167-L174 HydrophobicContact CB-CB 4.48Å; R167-L174 HydrophobicContact CB-CD2 3.88Å; R167-E269 IonicContact CZ-OE2 3.73Å; R167-E269 IonicContact NH1-OE2 2.65Å; R167-E269 PolarHBondContact NH1-OE2 3.27Å; R167-S270 PolarHBondContact NH2-O 3.48Å; R167-S270 VanDerWaalsContact NH2-O 3.07Å
168N96.6Very high96.9Very high102 Ų10223.9 Ų23.955%0.54513%0.127SC..Hα-helixtrans-64.2-23.7-174.4-66-3.8000113I164 Y165I164-N168 PolarHBondContact O-N 3.41Å; I164-N168 PolarHBondContact O-OD1 3.22Å; Y165-N168 PolarHBondContact O-N 2.96Å
169K97.1Very high96.9Very high110 Ų11023.9 Ų23.948%0.47813%0.127SC..Hα-helixtrans-93-10.8176.7-63.3-58.3-177.7-173.80114.2Y165 R167 I360 V423Y165-K169 HydrophobicContact CD1-CG 4.07Å; Y165-K169 HydrophobicContact CD2-CG 4.46Å; Y165-K169 HydrophobicContact CE1-CG 3.69Å; Y165-K169 HydrophobicContact CE2-CD 4.48Å; Y165-K169 VanDerWaalsContact CE2-CE 3.48Å; Y165-K169 HydrophobicContact CE2-CG 4.16Å; Y165-K169 HydrophobicContact CG-CG 4.44Å; Y165-K169 WeakPolarHBondContact O-CG 3.2Å; Y165-K169 PolarHBondContact O-N 3.26Å; R167-K169 PolarHBondContact O-N 3.22Å; K169-I360 HydrophobicContact CB-CD1 3.87Å; K169-V423 HydrophobicContact CB-CG2 3.75Å; K169-V423 HydrophobicContact CD-CG2 4.14Å; K169-V423 HydrophobicContact CG-CG2 3.69Å
170M94.8Very high96.9Very high11 Ų1123.8 Ų23.85%0.05413%0.127CC..SBendtrans-83.3123.8174.6179.9173.4-74.300109.9T166 R167 G172 L174 I358 I360T166-M170 PolarHBondContact O-N 3.11Å; R167-M170 PolarHBondContact O-N 3.22Å; M170-G172 VanDerWaalsContact C-N 3.28Å; M170-G172 PolarHBondContact O-N 3.4Å; M170-L174 HydrophobicContact CE-CB 4.43Å; M170-L174 HydrophobicContact CE-CD1 3.44Å; M170-L174 VanDerWaalsContact CE-CD1 3.44Å; M170-L174 VanDerWaalsContact SD-CA 3.51Å; M170-L174 HydrophobicContact SD-CB 3.78Å; M170-L174 HydrophobicContact SD-CD1 3.93Å; M170-L174 HydrophobicContact SD-CG 4.48Å; M170-I358 HydrophobicContact CE-CB 4.33Å; M170-I358 HydrophobicContact CE-CG2 3.8Å; M170-I358 HydrophobicContact CG-CG2 4.16Å; M170-I358 HydrophobicContact SD-CB 4.46Å; M170-I358 HydrophobicContact SD-CG2 4.23Å; M170-I360 HydrophobicContact CB-CD1 4.4Å; M170-I360 HydrophobicContact CE-CB 4.04Å; M170-I360 HydrophobicContact CE-CG2 3.43Å; M170-I360 VanDerWaalsContact CE-CG2 3.43Å
171N91.1Very high96.8Very high116 Ų11624.4 Ų24.462%0.6213%0.13SC*.SBendtrans-78.477.8171.7-171.234000110.7I358N171-I358 WeakPolarHBondContact O-CD1 3.26Å
172G91.6Very high96.8Very high28 Ų2825.8 Ų25.829%0.28914%0.138SC..EExtended strand (participates in β ladder)trans150.8-154.6-175.700000112.6M170 Y345M170-G172 VanDerWaalsContact C-N 3.28Å; M170-G172 PolarHBondContact O-N 3.4Å; G172-Y345 CarbonylContact C-O 3.54Å; G172-Y345 VanDerWaalsContact CA-O 3.24Å; G172-Y345 WeakPolarHBondContact CA-O 2.98Å
173T93.5Very high96.6Very high45 Ų4528.9 Ų28.928%0.27615%0.154SC..EExtended strand (participates in β ladder)trans-102.5109-179.2-56.10000110.6T175 G344 Y345T173-T175 HydrophobicContact CG2-CG2 4.13Å; T173-G344 CarbonylContact O-C 3.52Å; T173-G344 WeakPolarHBondContact O-CA 3.38Å; T173-Y345 PolarHBondContact N-O 3.14Å; T173-Y345 PolarHBondContact O-N 3.31Å
174L95.9Very high96.5Very high3 Ų332.7 Ų32.72%0.01617%0.172CC..EExtended strand (participates in β ladder)trans-72.6127.5170.7-177.969.7000110T166 R167 M170 V177 V272 I360T166-L174 HydrophobicContact CG2-CD1 4.25Å; T166-L174 HydrophobicContact CG2-CD2 3.88Å; R167-L174 HydrophobicContact CB-CB 4.48Å; R167-L174 HydrophobicContact CB-CD2 3.88Å; M170-L174 HydrophobicContact CE-CB 4.43Å; M170-L174 HydrophobicContact CE-CD1 3.44Å; M170-L174 VanDerWaalsContact CE-CD1 3.44Å; M170-L174 VanDerWaalsContact SD-CA 3.51Å; M170-L174 HydrophobicContact SD-CB 3.78Å; M170-L174 HydrophobicContact SD-CD1 3.93Å; M170-L174 HydrophobicContact SD-CG 4.48Å; L174-V177 HydrophobicContact CD1-CG2 3.9Å; L174-V177 HydrophobicContact CD2-CG2 3.63Å; L174-V177 HydrophobicContact CG-CG2 4.04Å; L174-V272 HydrophobicContact CB-CG2 4.16Å; L174-V272 HydrophobicContact CD2-CG1 4.18Å; L174-V272 HydrophobicContact CD2-CG2 3.86Å; L174-V272 HydrophobicContact CG-CG1 4.22Å; L174-V272 HydrophobicContact CG-CG2 3.86Å; L174-V272 WeakPolarHBondContact O-CG2 3.33Å; L174-I360 HydrophobicContact CD1-CG2 4.49Å
175T95.6Very high96.3Very high1 Ų135.7 Ų35.71%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-118.5-25.7-176.5550000114T173 I225 Q273 Q343 Y345T173-T175 HydrophobicContact CG2-CG2 4.13Å; T175-I225 HydrophobicContact CG2-CB 4.21Å; T175-I225 HydrophobicContact CG2-CG2 3.72Å; T175-Q273 WeakPolarHBondContact O-CB 3.08Å; T175-Q273 PolarHBondContact O-N 3.28Å; T175-Q343 PolarHBondContact N-O 2.87Å; T175-Q343 PolarHBondContact OG1-O 2.83Å; T175-Q343 VanDerWaalsContact OG1-O 3.1Å; T175-Y345 HydrophobicContact CG2-CD2 3.72Å; T175-Y345 HydrophobicContact CG2-CE2 3.74Å
176A96.9Very high96.1Very high6 Ų635.1 Ų35.15%0.0520%0.195CC..EExtended strand (participates in β ladder)trans-148.1144.2179.500000112L229 Q273 G342 Q343A176-L229 HydrophobicContact CB-CB 4.3Å; A176-L229 HydrophobicContact CB-CD1 4.19Å; A176-L229 HydrophobicContact CB-CD2 4.47Å; A176-Q273 CarbonylContact C-O 3.59Å; A176-Q273 VanDerWaalsContact CA-O 3.3Å; A176-Q273 WeakPolarHBondContact CA-O 3.28Å; A176-Q273 HydrophobicContact CB-CB 4.2Å; A176-G342 CarbonylContact O-C 3.29Å; A176-G342 WeakPolarHBondContact O-CA 3.33Å; A176-Q343 PolarHBondContact N-O 3.26Å; A176-Q343 VanDerWaalsContact N-O 3.09Å; A176-Q343 PolarHBondContact O-N 3.27Å
177V98.1Very high95.8Very high1 Ų141.8 Ų41.81%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-137.5131.4176.2174.90000110.1V163 T166 L174 V272 Q273 Y274 A275 F340 F341V163-V177 HydrophobicContact CG2-CG1 4.23Å; T166-V177 HydrophobicContact CG2-CG2 4.29Å; L174-V177 HydrophobicContact CD1-CG2 3.9Å; L174-V177 HydrophobicContact CD2-CG2 3.63Å; L174-V177 HydrophobicContact CG-CG2 4.04Å; V177-V272 HydrophobicContact CB-CG1 4.1Å; V177-V272 HydrophobicContact CG2-CG1 3.66Å; V177-Q273 PolarHBondContact N-O 2.99Å; V177-Y274 HydrophobicContact CB-CD2 4.26Å; V177-Y274 HydrophobicContact CG1-CD2 4.18Å; V177-Y274 HydrophobicContact CG1-CE2 4.36Å; V177-Y274 WeakPolarHBondContact O-CA 3.44Å; V177-A275 PolarHBondContact O-N 3.42Å; V177-F340 HydrophobicContact CG1-CB 4.04Å; V177-F340 HydrophobicContact CG1-CD1 3.74Å; V177-F340 HydrophobicContact CG1-CG 4.4Å; V177-F341 WeakPolarHBondContact CA-O 3.39Å
178E98.1Very high95.5Very high16 Ų1646.3 Ų46.38%0.07526%0.261CS..EExtended strand (participates in β ladder)trans-105.8128.5161.9-60.4-168.5106.600109.2F180 L229 R232 A275 Y277 F340 F341E178-F180 HydrophobicContact CB-CE2 3.68Å; E178-F180 HydrophobicContact CB-CZ 4.35Å; E178-L229 HydrophobicContact CG-CD1 3.98Å; E178-L229 HydrophobicContact CG-CD2 4.47Å; E178-R232 IonicContact OE1-NE 3.04Å; E178-R232 PolarHBondContact OE1-NE 3.22Å; E178-R232 IonicContact OE2-CZ 3.37Å; E178-R232 IonicContact OE2-NE 3.03Å; E178-R232 PolarHBondContact OE2-NE 3.41Å; E178-R232 IonicContact OE2-NH2 2.82Å; E178-R232 PolarHBondContact OE2-NH2 2.78Å; E178-A275 CarbonylContact C-O 3.1Å; E178-A275 WeakPolarHBondContact CA-O 3.45Å; E178-A275 HydrophobicContact CG-CB 4.48Å; E178-Y277 HydrophobicContact CB-CD2 4.48Å; E178-Y277 HydrophobicContact CB-CE2 4.07Å; E178-Y277 HydrophobicContact CG-CE2 4.11Å; E178-Y277 WeakPolarHBondContact OE1-CE2 3.48Å; E178-Y277 PolarHBondContact OE1-OH 3Å; E178-F340 CarbonylContact O-C 3.58Å; E178-F340 WeakPolarHBondContact O-CA 3.29Å; E178-F341 PolarHBondContact N-O 3.05Å; E178-F341 PolarHBondContact O-N 2.95Å
179S98.3Very high95.3Very high1 Ų142.6 Ų42.61%0.00725%0.247CC..EExtended strand (participates in β ladder)trans-108146.6172.172.90000112.3Y274 A275 Y277 T339S179-Y274 WeakPolarHBondContact OG-CE2 3.37Å; S179-Y274 PolarHBondContact OG-OH 2.84Å; S179-A275 PolarHBondContact N-O 3.19Å; S179-Y277 PolarHBondContact O-N 2.88Å; S179-T339 CarbonylContact C-O 3.26Å; S179-T339 VanDerWaalsContact CA-O 3.26Å; S179-T339 WeakPolarHBondContact CA-O 3.4Å
180F98.3Very high95.1Very high0 Ų039.9 Ų39.90%024%0.238CC..EExtended strand (participates in β ladder)trans-131.3109.7-177.8-68.1-97000110E178 C238 L241 Y277 L338 T339 F341E178-F180 HydrophobicContact CB-CE2 3.68Å; E178-F180 HydrophobicContact CB-CZ 4.35Å; F180-C238 HydrophobicContact CD1-CB 4.46Å; F180-C238 HydrophobicContact CE1-CB 4.09Å; F180-L241 HydrophobicContact CB-CD1 3.32Å; F180-L241 HydrophobicContact CD1-CD1 3.99Å; F180-L241 HydrophobicContact CD2-CD1 4.39Å; F180-L241 HydrophobicContact CG-CD1 3.66Å; F180-Y277 CarbonylContact C-O 3.37Å; F180-Y277 WeakPolarHBondContact CA-O 3.14Å; F180-Y277 HydrophobicContact CD1-CD2 4.35Å; F180-Y277 HydrophobicContact CD1-CG 4.38Å; F180-Y277 AromaticContact CE1-CD2 3.82Å; F180-Y277 HydrophobicContact CE1-CD2 3.82Å; F180-Y277 AromaticContact CE1-CG 3.97Å; F180-Y277 HydrophobicContact CE1-CG 3.97Å; F180-Y277 HydrophobicContact CE2-CD2 4.12Å; F180-Y277 AromaticContact CZ-CD2 3.68Å; F180-Y277 HydrophobicContact CZ-CD2 3.68Å; F180-Y277 HydrophobicContact CZ-CE2 4.16Å; F180-Y277 HydrophobicContact CZ-CG 4.29Å; F180-L338 WeakPolarHBondContact O-CA 3.12Å; F180-T339 PolarHBondContact N-O 3.26Å; F180-T339 PolarHBondContact O-N 2.85Å; F180-F341 AromaticContact CD2-CD2 3.58Å; F180-F341 HydrophobicContact CD2-CD2 3.58Å; F180-F341 AromaticContact CD2-CE2 3.7Å; F180-F341 HydrophobicContact CD2-CE2 3.7Å; F180-F341 AromaticContact CE2-CD2 3.57Å; F180-F341 HydrophobicContact CE2-CD2 3.57Å; F180-F341 AromaticContact CE2-CE2 3.96Å; F180-F341 HydrophobicContact CE2-CE2 3.96Å; F180-F341 HydrophobicContact CG-CE2 4.48Å
181L98.1Very high95Very high13 Ų1340 Ų407%0.06824%0.239CC..EExtended strand (participates in β ladder)trans-83127.3175.7174.958.3000110.5F154 I183 Y277 V278 T279 F336 L338F154-L181 HydrophobicContact CE1-CD2 4.15Å; F154-L181 HydrophobicContact CE2-CD1 4.41Å; F154-L181 HydrophobicContact CZ-CD1 3.69Å; F154-L181 HydrophobicContact CZ-CD2 3.91Å; F154-L181 HydrophobicContact CZ-CG 4.47Å; L181-I183 HydrophobicContact CD1-CD1 3.8Å; L181-I183 HydrophobicContact CD2-CD1 4.15Å; L181-I183 HydrophobicContact CD2-CG1 4.49Å; L181-I183 HydrophobicContact CG-CD1 4.1Å; L181-I183 HydrophobicContact CG-CG1 4.38Å; L181-Y277 PolarHBondContact N-O 2.94Å; L181-V278 HydrophobicContact CB-CG2 4.34Å; L181-V278 HydrophobicContact CD2-CG2 4.45Å; L181-V278 CarbonylContact O-C 3.46Å; L181-V278 WeakPolarHBondContact O-CA 3.35Å; L181-V278 WeakPolarHBondContact O-CG1 3.25Å; L181-T279 PolarHBondContact O-N 3.21Å; L181-F336 HydrophobicContact CD1-CB 4.17Å; L181-L338 HydrophobicContact CB-CD1 3.8Å; L181-L338 HydrophobicContact CD1-CD1 4.47Å
182T97.3Very high95.1Very high29 Ų2937.2 Ų37.218%0.17822%0.224CC..EExtended strand (participates in β ladder)trans-119.5125.8167.7-55.30000108.4T279 F336 T337T182-T279 WeakPolarHBondContact OG1-CB 3.2Å; T182-F336 WeakPolarHBondContact O-CA 3.37Å; T182-T337 PolarHBondContact N-O 3.29Å; T182-T337 PolarHBondContact O-N 2.99Å
183I96.1Very high95.3Very high66 Ų6637.6 Ų37.634%0.33822%0.218SC..EExtended strand (participates in β ladder)trans-98.7130.5171.4-56-62.7000108.3F154 L181 L190 F336F154-I183 HydrophobicContact CZ-CD1 4.43Å; L181-I183 HydrophobicContact CD1-CD1 3.8Å; L181-I183 HydrophobicContact CD2-CD1 4.15Å; L181-I183 HydrophobicContact CD2-CG1 4.49Å; L181-I183 HydrophobicContact CG-CD1 4.1Å; L181-I183 HydrophobicContact CG-CG1 4.38Å; I183-L190 HydrophobicContact CB-CD1 4.4Å; I183-L190 HydrophobicContact CG2-CD1 3.55Å; I183-L190 HydrophobicContact CG2-CD2 4Å; I183-L190 HydrophobicContact CG2-CG 4.44Å; I183-F336 HydrophobicContact CD1-CB 3.85Å
184H96.1Very high95.3Very high79 Ų7936 Ų3637%0.36621%0.208SC..EExtended strand (participates in β ladder)trans-106.1138.5175.1-51.3-73.7000108.9A334 S335 T337H184-A334 VanDerWaalsContact O-CA 3.3Å; H184-A334 WeakPolarHBondContact O-CA 3.25Å; H184-S335 WeakPolarHBondContact CB-OG 3.28Å; H184-S335 PolarHBondContact N-O 2.79Å; H184-S335 PolarHBondContact O-N 3.16Å; H184-T337 PolarHBondContact NE2-OG1 2.86Å
185S94.7Very high95Very high65 Ų6537.1 Ų37.146%0.45522%0.22SC..  trans-132.2148.8-177.166.90000111.5
186G93.6Very high94.8Very high16 Ų1640.6 Ų40.617%0.16524%0.242CC..  trans-74.1-177.7170.200000114.1E188 G189 A333G186-E188 PolarHBondContact O-N 3.48Å; G186-G189 PolarHBondContact O-N 3.12Å; G186-A333 PolarHBondContact N-O 3.07Å
187P93.4Very high94.6Very high140 Ų14041.3 Ų41.391%0.90924%0.243SC*.THydrogen-bonded Turntrans-58.3-29.6178.9-24.934.7000114.4G189P187-G189 PolarHBondContact O-N 3.27Å
188E91.5Very high94.3Very high124 Ų12443.9 Ų43.958%0.57925%0.254SS*.THydrogen-bonded Turntrans-77.92.7178.3-59.3-64.5158.200113.2G186 Q330G186-E188 PolarHBondContact O-N 3.48Å; E188-Q330 HydrophobicContact CB-CG 3.7Å; E188-Q330 PolarHBondContact O-NE2 2.81Å
189G91.9Very high93.9Very high25 Ų2544.3 Ų44.326%0.25826%0.259SS..  trans72.2-158.4179.100000114.1G186 P187G186-G189 PolarHBondContact O-N 3.12Å; P187-G189 PolarHBondContact O-N 3.27Å
190L91.7Very high93.6Very high53 Ų5345.7 Ų45.728%0.27727%0.27SS..  trans-118.9146.9-179.2-65.9167000110.4I183 Y320 A334I183-L190 HydrophobicContact CB-CD1 4.4Å; I183-L190 HydrophobicContact CG2-CD1 3.55Å; I183-L190 HydrophobicContact CG2-CD2 4Å; I183-L190 HydrophobicContact CG2-CG 4.44Å; L190-Y320 HydrophobicContact CB-CD1 4.42Å; L190-A334 HydrophobicContact CD2-CB 3.94Å
191S93Very high93.4Very high13 Ų1345.7 Ų45.79%0.09127%0.27CS..  trans-146.4143.3172.2172.40000109.2Y320 G325 P326S191-Y320 CarbonylContact C-O 3.14Å; S191-Y320 WeakPolarHBondContact CA-O 3.37Å; S191-G325 PolarHBondContact OG-O 2.84Å; S191-P326 WeakPolarHBondContact O-CB 3.24Å; S191-P326 WeakPolarHBondContact O-CG 3.48Å
192I93.9Very high93.1Very high57 Ų5748.2 Ų48.229%0.29228%0.279SS..EExtended strand (participates in β ladder)trans-128.2141.6-179.6-55.2173.2000107.8T196 Y320 F321 S322 Y371I192-T196 HydrophobicContact CG2-CG2 4.25Å; I192-Y320 PolarHBondContact N-O 2.92Å; I192-F321 HydrophobicContact CB-CD1 3.65Å; I192-F321 HydrophobicContact CB-CE1 3.65Å; I192-F321 HydrophobicContact CB-CG 4.43Å; I192-F321 HydrophobicContact CB-CZ 4.41Å; I192-F321 HydrophobicContact CD1-CE1 4.02Å; I192-F321 HydrophobicContact CD1-CZ 4Å; I192-F321 HydrophobicContact CG1-CE1 4.42Å; I192-F321 HydrophobicContact CG2-CD1 3.81Å; I192-F321 HydrophobicContact CG2-CE1 3.55Å; I192-F321 CarbonylContact O-C 3.18Å; I192-F321 WeakPolarHBondContact O-CA 3.47Å; I192-S322 PolarHBondContact O-N 3.33Å; I192-Y371 WeakPolarHBondContact CG2-OH 3.2Å
193H95.4Very high92.7Very high36 Ų3647.9 Ų47.917%0.16728%0.282CS..EExtended strand (participates in β ladder)trans-64.4146.7175.6-176.1-94.7000111.8F18 G195 T196 S322 K323 Y371F18-H193 HydrophobicContact CB-CB 4.45Å; F18-H193 HydrophobicContact CD1-CB 3.54Å; F18-H193 AromaticContact CD1-CD2 3.97Å; F18-H193 AromaticContact CD1-CG 3.71Å; F18-H193 AromaticContact CD2-CD2 3.45Å; F18-H193 VanDerWaalsContact CD2-CD2 3.45Å; F18-H193 WeakPolarHBondContact CD2-CD2 3.44Å; F18-H193 HydrophobicContact CE1-CB 3.87Å; F18-H193 HydrophobicContact CG-CB 3.91Å; F18-H193 AromaticContact CG-CD2 3.39Å; F18-H193 WeakPolarHBondContact CG-CD2 3.48Å; F18-H193 AromaticContact CG-CG 3.52Å; F18-H193 AromaticContact CG-NE2 3.96Å; H193-G195 PolarHBondContact ND1-N 3.34Å; H193-G195 VanDerWaalsContact ND1-N 3.18Å; H193-G195 PolarHBondContact O-N 3.01Å; H193-T196 PolarHBondContact O-N 3.35Å; H193-S322 CarbonylContact C-O 3.51Å; H193-S322 WeakPolarHBondContact CA-O 3.43Å; H193-K323 PolarHBondContact CD2-O 3.49Å; H193-K323 PolarHBondContact NE2-O 3.06Å; H193-Y371 HydrophobicContact CB-CE1 4.41Å; H193-Y371 WeakPolarHBondContact CB-OH 3.3Å; H193-Y371 PolarHBondContact N-OH 2.89Å
194D92.8Very high92.3Very high11 Ų1147 Ų476%0.05928%0.276CS..Hα-helixtrans-62.4-12.3-174.486.5-15.6000114.9W197 K198 P313 S322 K323D194-W197 WeakPolarHBondContact O-CB 3.36Å; D194-W197 PolarHBondContact O-N 3.46Å; D194-K198 WeakPolarHBondContact O-CG 3.23Å; D194-K198 PolarHBondContact O-N 2.93Å; D194-K198 IonicContact OD1-NZ 3.31Å; D194-K198 PolarHBondContact OD1-NZ 2.95Å; D194-K198 VanDerWaalsContact OD2-CE 3.25Å; D194-K198 WeakPolarHBondContact OD2-CE 3.49Å; D194-K198 IonicContact OD2-NZ 2.93Å; D194-K198 PolarHBondContact OD2-NZ 2.99Å; D194-P313 HydrophobicContact CB-CB 4.28Å; D194-P313 HydrophobicContact CB-CG 4.16Å; D194-S322 PolarHBondContact N-O 3.2Å; D194-K323 HydrophobicContact CB-CG 4.37Å
195G90.1Very high91.8Very high27 Ų2744.7 Ų44.728%0.27827%0.273SS..Hα-helixtrans-58.4-49.7174.200000111.6H193 W197 K198 S199H193-G195 PolarHBondContact ND1-N 3.34Å; H193-G195 VanDerWaalsContact ND1-N 3.18Å; H193-G195 PolarHBondContact O-N 3.01Å; G195-W197 VanDerWaalsContact C-N 3.29Å; G195-W197 PolarHBondContact O-N 2.93Å; G195-K198 PolarHBondContact O-N 3.31Å; G195-S199 PolarHBondContact O-N 2.89Å; G195-S199 VanDerWaalsContact O-N 3.09Å
196T90.8Very high91.3Very high74 Ų7443 Ų4345%0.45426%0.259SS..Hα-helixtrans-63.1-37.8177-54.20000111.3I192 H193 S199 A200 F321I192-T196 HydrophobicContact CG2-CG2 4.25Å; H193-T196 PolarHBondContact O-N 3.35Å; T196-S199 PolarHBondContact O-N 3.41Å; T196-A200 PolarHBondContact O-N 3.11Å; T196-F321 HydrophobicContact CG2-CE1 4.02Å
197W93.1Very high90.8Very high21 Ų2147.2 Ų47.28%0.0827%0.274CS..Hα-helixtrans-61.3-45.1175.9-173.5-121.9000112.4D194 G195 A200 I201 F296 L309 P313 F316 F321D194-W197 WeakPolarHBondContact O-CB 3.36Å; D194-W197 PolarHBondContact O-N 3.46Å; G195-W197 VanDerWaalsContact C-N 3.29Å; G195-W197 PolarHBondContact O-N 2.93Å; W197-A200 PolarHBondContact O-N 2.96Å; W197-I201 HydrophobicContact CD2-CD1 4.3Å; W197-I201 HydrophobicContact CG-CD1 4.08Å; W197-I201 VanDerWaalsContact O-CG1 3.27Å; W197-I201 WeakPolarHBondContact O-CG1 3.48Å; W197-I201 PolarHBondContact O-N 3.37Å; W197-F296 HydrophobicContact CE3-CE2 4.31Å; W197-F296 AromaticContact CH2-CD2 3.27Å; W197-F296 HydrophobicContact CH2-CD2 3.27Å; W197-F296 AromaticContact CH2-CE2 3.52Å; W197-F296 HydrophobicContact CH2-CE2 3.52Å; W197-F296 HydrophobicContact CH2-CG 4.32Å; W197-F296 AromaticContact CZ2-CD2 3.77Å; W197-F296 HydrophobicContact CZ2-CD2 3.77Å; W197-F296 AromaticContact CZ2-CE2 3.87Å; W197-F296 HydrophobicContact CZ2-CE2 3.87Å; W197-F296 AromaticContact CZ3-CD2 3.87Å; W197-F296 HydrophobicContact CZ3-CD2 3.87Å; W197-F296 AromaticContact CZ3-CE2 3.76Å; W197-F296 HydrophobicContact CZ3-CE2 3.76Å; W197-L309 HydrophobicContact CZ2-CB 4.45Å; W197-L309 HydrophobicContact CZ2-CD2 4.04Å; W197-L309 PolarHBondContact NE1-O 3.22Å; W197-P313 HydrophobicContact CG-CB 4.45Å; W197-F316 HydrophobicContact CZ2-CB 4.3Å; W197-F321 HydrophobicContact CB-CB 4.06Å; W197-F321 HydrophobicContact CB-CD1 3.6Å; W197-F321 HydrophobicContact CB-CE1 4.13Å; W197-F321 HydrophobicContact CB-CG 3.83Å; W197-F321 HydrophobicContact CD2-CB 4.42Å; W197-F321 HydrophobicContact CD2-CD2 4.11Å; W197-F321 HydrophobicContact CD2-CG 4.16Å; W197-F321 HydrophobicContact CE3-CD1 4.38Å; W197-F321 AromaticContact CE3-CD2 3.49Å; W197-F321 HydrophobicContact CE3-CD2 3.49Å; W197-F321 VanDerWaalsContact CE3-CD2 3.49Å; W197-F321 HydrophobicContact CE3-CE1 4.41Å; W197-F321 AromaticContact CE3-CE2 3.54Å; W197-F321 HydrophobicContact CE3-CE2 3.54Å; W197-F321 AromaticContact CE3-CG 3.93Å; W197-F321 HydrophobicContact CE3-CG 3.93Å; W197-F321 HydrophobicContact CE3-CZ 4.02Å; W197-F321 HydrophobicContact CG-CB 4.22Å; W197-F321 HydrophobicContact CG-CD1 4.4Å; W197-F321 HydrophobicContact CG-CG 4.17Å; W197-F321 AromaticContact CZ3-CD2 3.96Å; W197-F321 HydrophobicContact CZ3-CD2 3.96Å; W197-F321 AromaticContact CZ3-CE2 3.89Å; W197-F321 HydrophobicContact CZ3-CE2 3.89Å
198K92.3Very high90.5Very high56 Ų5644 Ų4424%0.24326%0.255CS..Hα-helixtrans-61.3-46.1175.7-71.3165.4-171.2150.20111.1P101 D194 G195 A200 I201 Y202 I310P101-K198 HydrophobicContact CG-CB 4.11Å; D194-K198 WeakPolarHBondContact O-CG 3.23Å; D194-K198 PolarHBondContact O-N 2.93Å; D194-K198 IonicContact OD1-NZ 3.31Å; D194-K198 PolarHBondContact OD1-NZ 2.95Å; D194-K198 VanDerWaalsContact OD2-CE 3.25Å; D194-K198 WeakPolarHBondContact OD2-CE 3.49Å; D194-K198 IonicContact OD2-NZ 2.93Å; D194-K198 PolarHBondContact OD2-NZ 2.99Å; G195-K198 PolarHBondContact O-N 3.31Å; K198-A200 VanDerWaalsContact C-N 3.29Å; K198-A200 PolarHBondContact O-N 3.41Å; K198-I201 PolarHBondContact O-N 3.49Å; K198-Y202 HydrophobicContact CB-CD2 4.48Å; K198-Y202 HydrophobicContact CB-CE2 4.49Å; K198-Y202 WeakPolarHBondContact O-CD2 3.12Å; K198-Y202 PolarHBondContact O-N 3.26Å; K198-I310 HydrophobicContact CG-CG1 4.31Å; K198-I310 HydrophobicContact CG-CG2 4.4Å
199S90.3Very high90.3Very high25 Ų2541.1 Ų41.118%0.17524%0.244CC..Hα-helixtrans-58.9-41176.1-69.60000111.7E126 G195 T196 G203E126-S199 WeakPolarHBondContact OE1-CB 3.36Å; E126-S199 PolarHBondContact OE1-OG 3.31Å; G195-S199 PolarHBondContact O-N 2.89Å; G195-S199 VanDerWaalsContact O-N 3.09Å; T196-S199 PolarHBondContact O-N 3.41Å; S199-G203 PolarHBondContact O-N 3.5Å
200A92Very high90.1Very high30 Ų3041.2 Ų41.225%0.24824%0.238CC..Hα-helixtrans-62.8-50.7173.800000111.9T196 W197 K198 Y202 G203 F204 F296T196-A200 PolarHBondContact O-N 3.11Å; W197-A200 PolarHBondContact O-N 2.96Å; K198-A200 VanDerWaalsContact C-N 3.29Å; K198-A200 PolarHBondContact O-N 3.41Å; A200-Y202 VanDerWaalsContact C-N 3.33Å; A200-Y202 PolarHBondContact O-N 2.91Å; A200-G203 PolarHBondContact O-N 2.7Å; A200-F204 VanDerWaalsContact O-CD2 3.28Å; A200-F204 WeakPolarHBondContact O-CD2 3.32Å; A200-F204 PolarHBondContact O-N 2.89Å; A200-F296 HydrophobicContact CB-CZ 4.28Å
201I92.7Very high90Very high0 Ų047.3 Ų47.30%026%0.258CS..Hα-helixtrans-54.5-49.3179.7-69163.7000111.3W197 K198 G205 F296 V300 R306 L309 I310W197-I201 HydrophobicContact CD2-CD1 4.3Å; W197-I201 HydrophobicContact CG-CD1 4.08Å; W197-I201 VanDerWaalsContact O-CG1 3.27Å; W197-I201 WeakPolarHBondContact O-CG1 3.48Å; W197-I201 PolarHBondContact O-N 3.37Å; K198-I201 PolarHBondContact O-N 3.49Å; I201-G205 PolarHBondContact O-N 3.07Å; I201-F296 HydrophobicContact CG1-CE2 3.7Å; I201-F296 HydrophobicContact CG1-CZ 4.11Å; I201-V300 HydrophobicContact CG2-CG2 4.4Å; I201-V300 WeakPolarHBondContact O-CG1 3.46Å; I201-R306 HydrophobicContact CG2-CB 3.89Å; I201-R306 HydrophobicContact CG2-CG 3.72Å; I201-L309 HydrophobicContact CD1-CB 3.47Å; I201-L309 VanDerWaalsContact CD1-CB 3.47Å; I201-L309 HydrophobicContact CD1-CD1 4.37Å; I201-L309 HydrophobicContact CG1-CB 4.09Å; I201-L309 HydrophobicContact CG1-CD1 4.07Å; I201-I310 HydrophobicContact CD1-CG1 3.68Å
202Y92Very high89.9Confident65 Ų6553 Ų5326%0.25528%0.281SS..Hα-helixtrans-72-36.8-179.6-70.6-63.9000112.2F104 K198 A200 G205 D206 I310F104-Y202 HydrophobicContact CE2-CD1 4.1Å; F104-Y202 AromaticContact CE2-CD2 3.57Å; F104-Y202 HydrophobicContact CE2-CD2 3.57Å; F104-Y202 HydrophobicContact CE2-CE1 4.26Å; F104-Y202 AromaticContact CE2-CE2 3.76Å; F104-Y202 HydrophobicContact CE2-CE2 3.76Å; F104-Y202 AromaticContact CE2-CG 3.76Å; F104-Y202 HydrophobicContact CE2-CG 3.76Å; F104-Y202 AromaticContact CZ-CD1 3.72Å; F104-Y202 HydrophobicContact CZ-CD1 3.72Å; F104-Y202 HydrophobicContact CZ-CD2 4.07Å; F104-Y202 AromaticContact CZ-CE1 3.95Å; F104-Y202 HydrophobicContact CZ-CE1 3.95Å; F104-Y202 HydrophobicContact CZ-CE2 4.29Å; F104-Y202 AromaticContact CZ-CG 3.79Å; F104-Y202 HydrophobicContact CZ-CG 3.79Å; K198-Y202 HydrophobicContact CB-CD2 4.48Å; K198-Y202 HydrophobicContact CB-CE2 4.49Å; K198-Y202 WeakPolarHBondContact O-CD2 3.12Å; K198-Y202 PolarHBondContact O-N 3.26Å; A200-Y202 VanDerWaalsContact C-N 3.33Å; A200-Y202 PolarHBondContact O-N 2.91Å; Y202-G205 PolarHBondContact O-N 2.98Å; Y202-D206 WeakPolarHBondContact O-CB 3.4Å; Y202-D206 PolarHBondContact O-N 3.17Å; Y202-D206 VanDerWaalsContact O-N 3.08Å; Y202-I310 HydrophobicContact CE2-CD1 3.91Å; Y202-I310 WeakPolarHBondContact OH-CD1 3.22Å
203G88.7Confident89.8Confident23 Ų2351.4 Ų51.424%0.23727%0.272CS..Hα-helixtrans-62.3-46.8176.700000112.9S199 A200 D206S199-G203 PolarHBondContact O-N 3.5Å; A200-G203 PolarHBondContact O-N 2.7Å; G203-D206 PolarHBondContact O-N 2.8Å
204F88Confident89.7Confident48 Ų4855.1 Ų55.121%0.21129%0.285CS..Hα-helixtrans-70.2-32.8175.4-81.5-93.4000112.4A200 D206 M249 F296 L297 V300A200-F204 VanDerWaalsContact O-CD2 3.28Å; A200-F204 WeakPolarHBondContact O-CD2 3.32Å; A200-F204 PolarHBondContact O-N 2.89Å; F204-D206 PolarHBondContact O-N 3.05Å; F204-M249 HydrophobicContact CE1-CE 3.44Å; F204-M249 VanDerWaalsContact CE1-CE 3.44Å; F204-M249 HydrophobicContact CE1-SD 3.93Å; F204-M249 HydrophobicContact CZ-CB 3.85Å; F204-M249 HydrophobicContact CZ-CE 3.87Å; F204-M249 HydrophobicContact CZ-SD 3.9Å; F204-F296 HydrophobicContact CB-CE1 4.06Å; F204-F296 HydrophobicContact CD1-CE1 4.41Å; F204-F296 AromaticContact CD2-CE1 3.82Å; F204-F296 HydrophobicContact CD2-CE1 3.82Å; F204-F296 HydrophobicContact CD2-CZ 4.31Å; F204-F296 HydrophobicContact CE2-CE1 4.33Å; F204-F296 AromaticContact CG-CE1 3.85Å; F204-F296 HydrophobicContact CG-CE1 3.85Å; F204-L297 HydrophobicContact CD1-CD2 3.7Å; F204-L297 HydrophobicContact CE1-CD2 4.12Å; F204-V300 HydrophobicContact CB-CG1 3.88Å
205G86.6Confident89.4Confident29 Ų2959.8 Ų59.830%0.29931%0.31SS..Hα-helixtrans-68.2-17.6174.600000114.3I201 Y202 V300I201-G205 PolarHBondContact O-N 3.07Å; Y202-G205 PolarHBondContact O-N 2.98Å; G205-V300 VanDerWaalsContact N-CG1 3.32Å
206D83.9Confident89.4Confident30 Ų3061.8 Ų61.816%0.1632%0.324CS..THydrogen-bonded Turntrans-120.519.7-170.1-158.942.1000114.1R103 Y202 G203 F204 S208 N209 L210R103-D206 IonicContact CZ-OD2 3.82Å; R103-D206 IonicContact NH1-OD2 2.64Å; R103-D206 PolarHBondContact NH1-OD2 3.4Å; Y202-D206 WeakPolarHBondContact O-CB 3.4Å; Y202-D206 PolarHBondContact O-N 3.17Å; Y202-D206 VanDerWaalsContact O-N 3.08Å; G203-D206 PolarHBondContact O-N 2.8Å; F204-D206 PolarHBondContact O-N 3.05Å; D206-S208 PolarHBondContact O-N 3.39Å; D206-S208 VanDerWaalsContact O-N 3.16Å; D206-N209 PolarHBondContact O-N 3Å; D206-N209 VanDerWaalsContact O-N 3.14Å; D206-N209 WeakPolarHBondContact OD1-CB 3.32Å; D206-N209 PolarHBondContact OD1-ND2 3.02Å; D206-L210 PolarHBondContact O-N 2.82Å
207Q83.1Confident89Confident105 Ų10559.6 Ų59.649%0.49131%0.312SS..Hα-helixtrans-58.3-29.4-179.9-71.1-174.7-3.600113.7L210 R211Q207-L210 PolarHBondContact O-N 2.92Å; Q207-R211 PolarHBondContact O-N 3.18Å; Q207-R211 VanDerWaalsContact O-N 3.07Å
208S86.6Confident88.4Confident72 Ų7265.5 Ų65.550%0.50335%0.345SS..Hα-helixtrans-65.4-39.5178.460.10000111.9D206 R211 K212D206-S208 PolarHBondContact O-N 3.39Å; D206-S208 VanDerWaalsContact O-N 3.16Å; S208-R211 PolarHBondContact O-N 2.93Å; S208-K212 WeakPolarHBondContact O-CG 3.32Å; S208-K212 PolarHBondContact O-N 3.29Å
209N87.1Confident88.1Confident63 Ų6367.6 Ų67.634%0.33736%0.358SS..Hα-helixtrans-72.9-35.5178-75.1-30.7000111.9D206 R211 K212 L213D206-N209 PolarHBondContact O-N 3Å; D206-N209 VanDerWaalsContact O-N 3.14Å; D206-N209 WeakPolarHBondContact OD1-CB 3.32Å; D206-N209 PolarHBondContact OD1-ND2 3.02Å; N209-R211 VanDerWaalsContact C-N 3.31Å; N209-R211 PolarHBondContact O-N 3.23Å; N209-K212 PolarHBondContact O-N 3.34Å; N209-L213 WeakPolarHBondContact O-CB 3.46Å; N209-L213 PolarHBondContact O-N 3.44Å
210L88.3Confident88Confident27 Ų2774.6 Ų74.614%0.14139%0.385CS..Hα-helixtrans-58.9-42.7169.4178.359.6000111.7P127 Q128 D206 Q207 L213 R214P127-L210 HydrophobicContact CB-CD1 4.35Å; P127-L210 HydrophobicContact CB-CD2 4.05Å; Q128-L210 HydrophobicContact CB-CB 4.14Å; Q128-L210 HydrophobicContact CB-CD1 4.1Å; Q128-L210 HydrophobicContact CG-CB 4.41Å; D206-L210 PolarHBondContact O-N 2.82Å; Q207-L210 PolarHBondContact O-N 2.92Å; L210-L213 PolarHBondContact O-N 3.24Å; L210-R214 HydrophobicContact CD1-CG 4.49Å; L210-R214 WeakPolarHBondContact O-CG 3Å; L210-R214 PolarHBondContact O-N 3.46Å
211R89.6Confident87.8Confident182 Ų18278.7 Ų78.769%0.68741%0.41SS*.Hα-helixtrans-64.1-43.6176.2-173.9178.4179.6-176.2-1.5111.8Q207 S208 N209 R214 N215Q207-R211 PolarHBondContact O-N 3.18Å; Q207-R211 VanDerWaalsContact O-N 3.07Å; S208-R211 PolarHBondContact O-N 2.93Å; N209-R211 VanDerWaalsContact C-N 3.31Å; N209-R211 PolarHBondContact O-N 3.23Å; R211-R214 PolarHBondContact O-N 3.06Å; R211-N215 VanDerWaalsContact O-CG 3.27Å; R211-N215 PolarHBondContact O-N 3.07Å; R211-N215 PolarHBondContact O-OD1 3.01Å
212K91.5Very high87.7Confident133 Ų13380.5 Ų80.558%0.57842%0.42SS*.Hα-helixtrans-60-45.2175.5-72.4175.5-175.4175.20111.6S208 N209 R214 N215 A216S208-K212 WeakPolarHBondContact O-CG 3.32Å; S208-K212 PolarHBondContact O-N 3.29Å; N209-K212 PolarHBondContact O-N 3.34Å; K212-R214 PolarHBondContact O-N 3.02Å; K212-N215 PolarHBondContact O-N 3.16Å; K212-A216 WeakPolarHBondContact O-CB 3.35Å; K212-A216 PolarHBondContact O-N 3.25Å
213L91.9Very high87.7Confident22 Ų2279.7 Ų79.712%0.11542%0.423CS..Hα-helixtrans-57.5-48.3177.5178.166.5000111.7E131 L132 L135 N209 L210 N215 A216 S217E131-L213 HydrophobicContact CB-CD2 3.69Å; L132-L213 HydrophobicContact CB-CD1 4.47Å; L132-L213 HydrophobicContact CB-CD2 3.95Å; L132-L213 HydrophobicContact CD1-CD1 3.92Å; L135-L213 HydrophobicContact CD2-CD1 3.55Å; N209-L213 WeakPolarHBondContact O-CB 3.46Å; N209-L213 PolarHBondContact O-N 3.44Å; L210-L213 PolarHBondContact O-N 3.24Å; L213-N215 VanDerWaalsContact C-N 3.31Å; L213-N215 PolarHBondContact O-N 3.35Å; L213-A216 PolarHBondContact O-N 3.38Å; L213-S217 PolarHBondContact O-N 3.07Å
214R91.5Very high87.8Confident115 Ų11583.9 Ų83.943%0.43444%0.44SS..Hα-helixtrans-64.5-33.7178-73.1173.9176.5168.3-0.8113.5E131 L210 R211 K212 S217E131-R214 IonicContact OE1-CZ 3.01Å; E131-R214 IonicContact OE1-NE 3.94Å; E131-R214 PolarHBondContact OE1-NE 3.09Å; E131-R214 IonicContact OE1-NH2 2.74Å; E131-R214 PolarHBondContact OE1-NH2 3.38Å; E131-R214 WeakPolarHBondContact OE2-CG 3.27Å; E131-R214 IonicContact OE2-CZ 2.69Å; E131-R214 IonicContact OE2-NE 3.37Å; E131-R214 PolarHBondContact OE2-NE 3.18Å; E131-R214 IonicContact OE2-NH2 3.85Å; L210-R214 HydrophobicContact CD1-CG 4.49Å; L210-R214 WeakPolarHBondContact O-CG 3Å; L210-R214 PolarHBondContact O-N 3.46Å; R211-R214 PolarHBondContact O-N 3.06Å; K212-R214 PolarHBondContact O-N 3.02Å; R214-S217 PolarHBondContact O-OG 2.76Å; R214-S217 VanDerWaalsContact O-OG 3.07Å
215N88.4Confident87.8Confident109 Ų10983.4 Ų83.458%0.58344%0.439SS*.Hα-helixtrans-72.1-37.5174.4-69.3-7.8000111.2R211 K212 L213 N218R211-N215 VanDerWaalsContact O-CG 3.27Å; R211-N215 PolarHBondContact O-N 3.07Å; R211-N215 PolarHBondContact O-OD1 3.01Å; K212-N215 PolarHBondContact O-N 3.16Å; L213-N215 VanDerWaalsContact C-N 3.31Å; L213-N215 PolarHBondContact O-N 3.35Å; N215-N218 PolarHBondContact O-OD1 3.44Å
216A88.2Confident87.9Confident69 Ų6983.2 Ų83.257%0.5744%0.437SS*.Hα-helixtrans-74.1-25-179.200000113.5K212 L213 N218K212-A216 WeakPolarHBondContact O-CB 3.35Å; K212-A216 PolarHBondContact O-N 3.25Å; L213-A216 PolarHBondContact O-N 3.38Å; A216-N218 PolarHBondContact O-N 2.75Å
217S82.9Confident88.2Confident28 Ų2885 Ų8520%0.19645%0.45CS..THydrogen-bonded Turntrans-69.9-14.4-178.469.10000113.9L213 R214 L219L213-S217 PolarHBondContact O-N 3.07Å; R214-S217 PolarHBondContact O-OG 2.76Å; R214-S217 VanDerWaalsContact O-OG 3.07Å; S217-L219 PolarHBondContact O-N 3.41Å
218N81.4Confident88.6Confident145 Ų14587.8 Ų87.878%0.77546%0.46SS*.  trans49.922.5-179.5-66.9-37000114.5N215 A216 K220N215-N218 PolarHBondContact O-OD1 3.44Å; A216-N218 PolarHBondContact O-N 2.75Å; N218-K220 PolarHBondContact O-N 2.75Å
219L85.5Confident88.9Confident100 Ų10085.8 Ų85.852%0.52444%0.444SS..PPolyproline II helixtrans-71.5124.8-177.6-67175.8000110.2S217S217-L219 PolarHBondContact O-N 3.41Å
220K87.4Confident89.1Confident171 Ų17191.7 Ų91.774%0.74347%0.467SS*.PPolyproline II helixtrans-59.5141.5173.6-68.1-178.8-179.6175.70110.1N218 V222 R261N218-K220 PolarHBondContact O-N 2.75Å; K220-V222 PolarHBondContact O-N 3.04Å; K220-R261 PolarHBondContact O-NH1 3.29Å; K220-R261 PolarHBondContact O-NH2 2.88Å
221P88.1Confident89.2Confident117 Ų11799.2 Ų99.276%0.7649%0.493SS*.PPolyproline II helixtrans-56.1141.1173.5-24.534.4000111.6
222V90.9Very high89.4Confident37 Ų3793.9 Ų93.922%0.22447%0.473CS..PPolyproline II helixtrans-62.5134.1170.7-178.70000108.2K220 R261 P271K220-V222 PolarHBondContact O-N 3.04Å; V222-R261 HydrophobicContact CG2-CB 3.75Å; V222-R261 HydrophobicContact CG2-CG 4.26Å; V222-P271 HydrophobicContact CG1-CB 3.32Å; V222-P271 HydrophobicContact CG1-CG 3.73Å
223P91.4Very high89.4Confident48 Ų4897 Ų9731%0.31248%0.481SS..PPolyproline II helixtrans-56.7148.2-179.8-28.337.9000112.8Y264 P271P223-Y264 HydrophobicContact CG-CD1 4.35Å; P223-Y264 HydrophobicContact CG-CE1 3.69Å; P223-Y264 HydrophobicContact CG-CE2 4.02Å; P223-P271 VanDerWaalsContact O-CG 3.3Å; P223-P271 WeakPolarHBondContact O-CG 3.42Å
224L90.7Very high89.3Confident112 Ų11299.5 Ų99.559%0.58650%0.499SS*.PPolyproline II helixtrans-95.5119.4175.2-63.7174.4000108.6Q273L224-Q273 HydrophobicContact CD2-CG 3.94Å
225I89.4Confident89.4Confident37 Ų3795.9 Ų95.919%0.1949%0.488CS..PPolyproline II helixtrans-100.6130.2171.1-51.8-57.6000108.6T175 P271 Q273 T351T175-I225 HydrophobicContact CG2-CB 4.21Å; T175-I225 HydrophobicContact CG2-CG2 3.72Å; I225-P271 HydrophobicContact CG1-CG 4.05Å; I225-Q273 PolarHBondContact O-NE2 3.41Å; I225-Q273 VanDerWaalsContact O-NE2 3.13Å; I225-T351 HydrophobicContact CG2-CG2 3.65Å
226G88.6Confident89.7Confident25 Ų2591.6 Ų91.626%0.25847%0.466SS..SBendtrans70.6-166.3-177.100000114
227P89.6Confident90Very high67 Ų6793.5 Ų93.544%0.43546%0.459SS..SBendtrans-65.9144.9-179.327.4-34.9000111.5L229 Q273 Y345 P356P227-L229 PolarHBondContact O-N 2.96Å; P227-Q273 PolarHBondContact O-NE2 3.34Å; P227-Y345 VanDerWaalsContact CD-OH 3.25Å; P227-Y345 WeakPolarHBondContact CD-OH 3.25Å; P227-P356 HydrophobicContact CG-CG 3.79Å
228K91.9Very high90.5Very high165 Ų16592.2 Ų92.272%0.71745%0.45SS*.  trans-59.1125.1175.7-173.9175.4-177.81760110.7K230K228-K230 PolarHBondContact O-N 2.92Å
229L93.4Very high91.1Very high30 Ų3095.2 Ų95.216%0.15745%0.451CS..  trans-59113174.6177.658.5000109.3A176 E178 P227 R231 Q273 A275A176-L229 HydrophobicContact CB-CB 4.3Å; A176-L229 HydrophobicContact CB-CD1 4.19Å; A176-L229 HydrophobicContact CB-CD2 4.47Å; E178-L229 HydrophobicContact CG-CD1 3.98Å; E178-L229 HydrophobicContact CG-CD2 4.47Å; P227-L229 PolarHBondContact O-N 2.96Å; L229-R231 PolarHBondContact O-N 3.2Å; L229-Q273 HydrophobicContact CB-CB 3.96Å; L229-Q273 HydrophobicContact CD2-CB 4.3Å; L229-A275 HydrophobicContact CD2-CB 3.83Å
230K90.8Very high91.4Very high187 Ų18796 Ų9681%0.81345%0.451SS*.  trans-75.2114.5176.6-67.1-175.3-178.8-179.20108.5K228K228-K230 PolarHBondContact O-N 2.92Å
231R91Very high91.7Very high185 Ų18590.1 Ų90.170%0.69843%0.428SS*.PPolyproline II helixtrans-64.5138.9172.5-67.1-173.4-179.3176.51.1109.7L229L229-R231 PolarHBondContact O-N 3.2Å
232R92.9Very high92Very high69 Ų6992.8 Ų92.826%0.2643%0.428SS..PPolyproline II helixtrans-66.1155.5172.5-65.1174.4-179.4-110.42110.1E178 S236 Y277E178-R232 IonicContact OE1-NE 3.04Å; E178-R232 PolarHBondContact OE1-NE 3.22Å; E178-R232 IonicContact OE2-CZ 3.37Å; E178-R232 IonicContact OE2-NE 3.03Å; E178-R232 PolarHBondContact OE2-NE 3.41Å; E178-R232 IonicContact OE2-NH2 2.82Å; E178-R232 PolarHBondContact OE2-NH2 2.78Å; R232-S236 WeakPolarHBondContact CB-OG 3.3Å; R232-Y277 HydrophobicContact CB-CE1 3.8Å; R232-Y277 HydrophobicContact CG-CE1 4.29Å; R232-Y277 WeakPolarHBondContact CG-OH 3.31Å; R232-Y277 PolarHBondContact N-OH 2.79Å
233W91.8Very high92.2Very high198 Ų19891.1 Ų91.175%0.7542%0.418SS*.PPolyproline II helixtrans-58.8145.3169.1-163.951.3000109.3I235W233-I235 CarbonylContact O-C 3.46Å; W233-I235 PolarHBondContact O-N 3.17Å
234P89.9Confident92.5Very high75 Ų7592.2 Ų92.249%0.48742%0.417SS..SBendtrans-56.3-20.9-170.7-29.637.4000115.4I246 P247P234-I246 WeakPolarHBondContact O-CA 3.44Å; P234-I246 WeakPolarHBondContact O-CG2 3.49Å; P234-P247 HydrophobicContact CB-CG 4.43Å; P234-P247 WeakPolarHBondContact O-CD 3.35Å
235I93.7Very high92.7Very high40 Ų4086.9 Ų86.921%0.20539%0.389CS..SBendtrans-124.1113.5167.3-63.2162.2000105.6W233 Y244 I246 V286 M290W233-I235 CarbonylContact O-C 3.46Å; W233-I235 PolarHBondContact O-N 3.17Å; I235-Y244 HydrophobicContact CG2-CD1 3.94Å; I235-Y244 HydrophobicContact CG2-CE1 4.48Å; I235-I246 HydrophobicContact CG1-CG2 4.21Å; I235-V286 HydrophobicContact CD1-CG1 3.86Å; I235-V286 HydrophobicContact CG1-CG1 4.01Å; I235-V286 HydrophobicContact CG2-CG1 3.83Å; I235-V286 HydrophobicContact CG2-CG2 4.49Å; I235-M290 HydrophobicContact CD1-CE 4.06Å; I235-M290 HydrophobicContact CD1-CG 4.31Å; I235-M290 HydrophobicContact CD1-SD 3.37Å; I235-M290 WeakPolarHBondContact CD1-SD 3.44Å
236S94Very high93Very high18 Ų1887.3 Ų87.313%0.12639%0.391CS..EExtended strand (participates in β ladder)trans-139.3138.1-178.571.60000111.6R232 C238 Y244 S245R232-S236 WeakPolarHBondContact CB-OG 3.3Å; S236-C238 PolarHBondContact O-N 3.06Å; S236-Y244 CarbonylContact O-C 3.49Å; S236-S245 PolarHBondContact N-O 3.4Å; S236-S245 PolarHBondContact O-N 3.34Å; S236-S245 PolarHBondContact O-OG 2.98Å; S236-S245 PolarHBondContact OG-OG 3.1Å; S236-S245 VanDerWaalsContact OG-OG 3.04Å
237Y94.9Very high93.3Very high110 Ų11088.7 Ų88.743%0.43140%0.395SS..EExtended strand (participates in β ladder)trans-79.6118.8173.9-169.7-99.1000109.6R239 K242 Y244Y237-R239 HydrophobicContact CD1-CG 4.11Å; Y237-R239 HydrophobicContact CE1-CG 4.31Å; Y237-K242 VanDerWaalsContact OH-C 3.24Å; Y237-K242 VanDerWaalsContact OH-CA 3.26Å; Y237-K242 WeakPolarHBondContact OH-CA 3.37Å; Y237-K242 PolarHBondContact OH-O 2.91Å; Y237-Y244 HydrophobicContact CD2-CD1 4.42Å; Y237-Y244 AromaticContact CD2-CD2 3.88Å; Y237-Y244 HydrophobicContact CD2-CD2 3.88Å; Y237-Y244 HydrophobicContact CD2-CE1 4.36Å; Y237-Y244 AromaticContact CD2-CE2 3.81Å; Y237-Y244 HydrophobicContact CD2-CE2 3.81Å; Y237-Y244 HydrophobicContact CD2-CG 4.19Å; Y237-Y244 HydrophobicContact CE2-CD2 4.43Å; Y237-Y244 HydrophobicContact CE2-CE2 4.35Å
238C93.5Very high93.5Very high0 Ų087.7 Ų87.70%039%0.385CS..EExtended strand (participates in β ladder)trans-88.6113.1170.9177.10000108.1F180 S236 E240 L241 K242 G243F180-C238 HydrophobicContact CD1-CB 4.46Å; F180-C238 HydrophobicContact CE1-CB 4.09Å; S236-C238 PolarHBondContact O-N 3.06Å; C238-E240 VanDerWaalsContact C-N 3.34Å; C238-E240 PolarHBondContact SG-OE2 3.41Å; C238-L241 HydrophobicContact CB-CB 4.32Å; C238-L241 PolarHBondContact O-N 3.39Å; C238-K242 PolarHBondContact O-N 3.2Å; C238-G243 PolarHBondContact N-O 3.36Å; C238-G243 PolarHBondContact O-N 2.96Å
239R93.1Very high93.2Very high208 Ų20885.9 Ų85.979%0.78538%0.38SS*.THydrogen-bonded Turntrans-68-39.1-176.3-67.5-178.7179.3-179.5-0.8111.1Y237 L241 K242Y237-R239 HydrophobicContact CD1-CG 4.11Å; Y237-R239 HydrophobicContact CE1-CG 4.31Å; R239-L241 VanDerWaalsContact C-N 3.27Å; R239-L241 PolarHBondContact O-N 3.24Å; R239-K242 PolarHBondContact O-N 3.33Å
240E92.3Very high93Very high116 Ų11685.8 Ų85.854%0.54239%0.386SS..THydrogen-bonded Turntrans-62.2-35.2-179.4-59.182.6175.600111.7C238 F341C238-E240 VanDerWaalsContact C-N 3.34Å; C238-E240 PolarHBondContact SG-OE2 3.41Å; E240-F341 HydrophobicContact CB-CE1 3.94Å; E240-F341 HydrophobicContact CB-CE2 4.41Å; E240-F341 HydrophobicContact CB-CZ 3.54Å; E240-F341 HydrophobicContact CG-CE1 4.02Å; E240-F341 HydrophobicContact CG-CZ 4.06Å
241L94.1Very high93.1Very high49 Ų4976.9 Ų76.926%0.25735%0.347SS..THydrogen-bonded Turntrans-101.52.1178.9-58.6179.5000113.5F180 C238 R239 G243 T339 F341F180-L241 HydrophobicContact CB-CD1 3.32Å; F180-L241 HydrophobicContact CD1-CD1 3.99Å; F180-L241 HydrophobicContact CD2-CD1 4.39Å; F180-L241 HydrophobicContact CG-CD1 3.66Å; C238-L241 HydrophobicContact CB-CB 4.32Å; C238-L241 PolarHBondContact O-N 3.39Å; R239-L241 VanDerWaalsContact C-N 3.27Å; R239-L241 PolarHBondContact O-N 3.24Å; L241-G243 PolarHBondContact O-N 3.34Å; L241-G243 VanDerWaalsContact O-N 3.14Å; L241-T339 HydrophobicContact CD2-CG2 4.33Å; L241-F341 HydrophobicContact CD1-CE2 4.37Å; L241-F341 HydrophobicContact CD2-CZ 4.4Å; L241-F341 HydrophobicContact CG-CE2 4.36Å; L241-F341 HydrophobicContact CG-CZ 4.39Å
242K95.1Very high93.4Very high172 Ų17268.5 Ų68.575%0.74832%0.317SS*.THydrogen-bonded Turntrans49.436.1-178.8-58.4-178.6-178.6178.20114Y237 C238 R239Y237-K242 VanDerWaalsContact OH-C 3.24Å; Y237-K242 VanDerWaalsContact OH-CA 3.26Å; Y237-K242 WeakPolarHBondContact OH-CA 3.37Å; Y237-K242 PolarHBondContact OH-O 2.91Å; C238-K242 PolarHBondContact O-N 3.2Å; R239-K242 PolarHBondContact O-N 3.33Å
243G95.4Very high93.5Very high3 Ų367 Ų673%0.03131%0.314CS..EExtended strand (participates in β ladder)trans-149.4158-173.600000113.6C238 L241C238-G243 PolarHBondContact N-O 3.36Å; C238-G243 PolarHBondContact O-N 2.96Å; L241-G243 PolarHBondContact O-N 3.34Å; L241-G243 VanDerWaalsContact O-N 3.14Å
244Y96.6Very high93.7Very high70 Ų7057.9 Ų57.928%0.27528%0.281SS..EExtended strand (participates in β ladder)trans-73.6143.1169.4-74.2-88.9000110.4I235 S236 Y237 T279 V280 G281 I283 V286I235-Y244 HydrophobicContact CG2-CD1 3.94Å; I235-Y244 HydrophobicContact CG2-CE1 4.48Å; S236-Y244 CarbonylContact O-C 3.49Å; Y237-Y244 HydrophobicContact CD2-CD1 4.42Å; Y237-Y244 AromaticContact CD2-CD2 3.88Å; Y237-Y244 HydrophobicContact CD2-CD2 3.88Å; Y237-Y244 HydrophobicContact CD2-CE1 4.36Å; Y237-Y244 AromaticContact CD2-CE2 3.81Å; Y237-Y244 HydrophobicContact CD2-CE2 3.81Å; Y237-Y244 HydrophobicContact CD2-CG 4.19Å; Y237-Y244 HydrophobicContact CE2-CD2 4.43Å; Y237-Y244 HydrophobicContact CE2-CE2 4.35Å; Y244-T279 CarbonylContact O-C 3.59Å; Y244-T279 WeakPolarHBondContact O-CA 3.31Å; Y244-V280 WeakPolarHBondContact O-CG2 3.45Å; Y244-V280 PolarHBondContact O-N 2.68Å; Y244-G281 WeakPolarHBondContact CB-O 3.48Å; Y244-G281 PolarHBondContact N-O 3.25Å; Y244-I283 HydrophobicContact CD1-CD1 4.42Å; Y244-I283 HydrophobicContact CD2-CB 4.39Å; Y244-I283 HydrophobicContact CE1-CD1 3.99Å; Y244-I283 HydrophobicContact CE2-CB 3.9Å; Y244-I283 HydrophobicContact CE2-CD1 4.26Å; Y244-V286 VanDerWaalsContact CB-CG2 3.41Å; Y244-V286 HydrophobicContact CD1-CG2 4.32Å; Y244-V286 HydrophobicContact CD2-CG2 4.46Å; Y244-V286 HydrophobicContact CG-CG2 3.83Å
245S95.6Very high94.1Very high0 Ų054.3 Ų54.30%026%0.258CS..EExtended strand (participates in β ladder)trans-128.6145.7179.663.30000110.8S236 V278S236-S245 PolarHBondContact N-O 3.4Å; S236-S245 PolarHBondContact O-N 3.34Å; S236-S245 PolarHBondContact O-OG 2.98Å; S236-S245 PolarHBondContact OG-OG 3.1Å; S236-S245 VanDerWaalsContact OG-OG 3.04Å; S245-V278 CarbonylContact C-O 3.5Å; S245-V278 WeakPolarHBondContact CA-O 3.42Å
246I94.9Very high94.3Very high46 Ų4652.4 Ų52.424%0.23625%0.248CC..EExtended strand (participates in β ladder)trans-127.3153.3174.763.5175.1000109.6P234 I235 F248 Y277 V278 V280 L289P234-I246 WeakPolarHBondContact O-CA 3.44Å; P234-I246 WeakPolarHBondContact O-CG2 3.49Å; I235-I246 HydrophobicContact CG1-CG2 4.21Å; I246-F248 PolarHBondContact O-N 3.07Å; I246-Y277 CarbonylContact O-C 3.58Å; I246-Y277 WeakPolarHBondContact O-CA 3.3Å; I246-Y277 WeakPolarHBondContact O-CB 3.32Å; I246-V278 HydrophobicContact CG1-CB 4.47Å; I246-V278 PolarHBondContact N-O 3.1Å; I246-V278 PolarHBondContact O-N 3.34Å; I246-V280 HydrophobicContact CD1-CG1 3.95Å; I246-V280 HydrophobicContact CG1-CG1 3.94Å; I246-L289 HydrophobicContact CD1-CD1 4.4Å
247P94.9Very high94.4Very high54 Ų5456.3 Ų56.335%0.35126%0.263SS..EExtended strand (participates in β ladder)trans-53.2132.3174.2-27.833.9000112P234 M249P234-P247 HydrophobicContact CB-CG 4.43Å; P234-P247 WeakPolarHBondContact O-CD 3.35Å; P247-M249 PolarHBondContact O-N 3.37Å
248F93.1Very high94.5Very high47 Ų4752.4 Ų52.421%0.20625%0.248CC..  trans-73.8125.2170.6-178.9-120.7000109.3I246 G250 D252 A276 V278I246-F248 PolarHBondContact O-N 3.07Å; F248-G250 VanDerWaalsContact CE1-CA 3.44Å; F248-D252 HydrophobicContact CD1-CB 4.03Å; F248-D252 WeakPolarHBondContact CD1-OD2 3.33Å; F248-D252 HydrophobicContact CE1-CB 3.98Å; F248-D252 VanDerWaalsContact CE1-CG 3.47Å; F248-D252 WeakPolarHBondContact CE1-OD2 3.44Å; F248-A276 HydrophobicContact CB-CB 3.93Å; F248-A276 HydrophobicContact CD1-CB 4.28Å; F248-A276 PolarHBondContact N-O 2.92Å; F248-V278 HydrophobicContact CB-CG2 3.89Å; F248-V278 HydrophobicContact CD2-CG2 3.42Å; F248-V278 VanDerWaalsContact CD2-CG2 3.42Å; F248-V278 HydrophobicContact CE2-CG2 4.34Å; F248-V278 HydrophobicContact CG-CG2 4.06Å
249M87.3Confident94.8Very high127 Ų12752.4 Ų52.463%0.62625%0.248SC*.  trans-100.615.6-176.8-57.1-169.67700113.3F204 P247F204-M249 HydrophobicContact CE1-CE 3.44Å; F204-M249 VanDerWaalsContact CE1-CE 3.44Å; F204-M249 HydrophobicContact CE1-SD 3.93Å; F204-M249 HydrophobicContact CZ-CB 3.85Å; F204-M249 HydrophobicContact CZ-CE 3.87Å; F204-M249 HydrophobicContact CZ-SD 3.9Å; P247-M249 PolarHBondContact O-N 3.37Å
250G88.3Confident95Very high27 Ų2742.8 Ų42.828%0.27821%0.211SC..SBendtrans-86-158.4175.800000113.5F248F248-G250 VanDerWaalsContact CE1-CA 3.44Å
251S93.5Very high95.2Very high0 Ų038.9 Ų38.90%019%0.192CC..SBendtrans-88-17.9-168.878.70000115D155 S156 V253 S254 V255D155-S251 VanDerWaalsContact CG-OG 3.29Å; D155-S251 WeakPolarHBondContact OD1-CB 3.15Å; D155-S251 PolarHBondContact OD1-N 3.32Å; D155-S251 PolarHBondContact OD1-OG 3.2Å; S156-S251 PolarHBondContact OG-OG 2.8Å; S251-V253 VanDerWaalsContact C-N 3.33Å; S251-V253 PolarHBondContact O-N 3.25Å; S251-V253 VanDerWaalsContact O-N 3.1Å; S251-S254 WeakPolarHBondContact O-CA 3.14Å; S251-S254 WeakPolarHBondContact O-CB 3.24Å; S251-S254 PolarHBondContact O-N 2.94Å; S251-V255 PolarHBondContact O-N 2.99Å
252D96.7Very high95.3Very high10 Ų1038.3 Ų38.35%0.05319%0.186CC..Hα-helixtrans-45-48.6-176-66.9-8.7000114.6S156 A159 F248 S254 V255 V256 Y274 A276S156-D252 WeakPolarHBondContact CA-OD1 3.4Å; S156-D252 WeakPolarHBondContact CB-OD1 3.49Å; S156-D252 WeakPolarHBondContact OG-CA 3.23Å; S156-D252 PolarHBondContact OG-N 2.97Å; S156-D252 PolarHBondContact OG-OD1 2.83Å; A159-D252 HydrophobicContact CB-CB 3.85Å; A159-D252 WeakPolarHBondContact CB-OD2 3.46Å; F248-D252 HydrophobicContact CD1-CB 4.03Å; F248-D252 WeakPolarHBondContact CD1-OD2 3.33Å; F248-D252 HydrophobicContact CE1-CB 3.98Å; F248-D252 VanDerWaalsContact CE1-CG 3.47Å; F248-D252 WeakPolarHBondContact CE1-OD2 3.44Å; D252-S254 VanDerWaalsContact C-N 3.29Å; D252-S254 PolarHBondContact O-N 2.77Å; D252-V255 PolarHBondContact O-N 3.13Å; D252-V256 WeakPolarHBondContact O-CB 3.41Å; D252-V256 VanDerWaalsContact O-CG2 3.27Å; D252-V256 WeakPolarHBondContact O-CG2 3.41Å; D252-V256 PolarHBondContact O-N 3.4Å; D252-Y274 HydrophobicContact CB-CE1 4.21Å; D252-A276 HydrophobicContact CB-CB 4.48Å
253V95.9Very high95.4Very high36 Ų3630.1 Ų30.122%0.21815%0.151CC..Hα-helixtrans-65.8-33.5-178.5176.60000111.9S251 K257 Y274 A276S251-V253 VanDerWaalsContact C-N 3.33Å; S251-V253 PolarHBondContact O-N 3.25Å; S251-V253 VanDerWaalsContact O-N 3.1Å; V253-K257 HydrophobicContact CG1-CD 4.11Å; V253-K257 VanDerWaalsContact O-CB 3.31Å; V253-K257 WeakPolarHBondContact O-CB 3.35Å; V253-K257 WeakPolarHBondContact O-CD 3.09Å; V253-K257 WeakPolarHBondContact O-CG 3.44Å; V253-K257 PolarHBondContact O-N 3.03Å; V253-Y274 HydrophobicContact CG2-CD1 4.23Å; V253-Y274 HydrophobicContact CG2-CE1 4.1Å; V253-A276 HydrophobicContact CG2-CB 3.78Å
254S95.4Very high95.5Very high8 Ų834.8 Ų34.86%0.05617%0.168CC..Hα-helixtrans-70.2-48174.3173.50000110.5E131 S251 D252 K257 R258E131-S254 PolarHBondContact OE1-OG 3.14Å; S251-S254 WeakPolarHBondContact O-CA 3.14Å; S251-S254 WeakPolarHBondContact O-CB 3.24Å; S251-S254 PolarHBondContact O-N 2.94Å; D252-S254 VanDerWaalsContact C-N 3.29Å; D252-S254 PolarHBondContact O-N 2.77Å; S254-K257 PolarHBondContact O-N 3.49Å; S254-R258 VanDerWaalsContact O-CG 3.32Å; S254-R258 WeakPolarHBondContact O-CG 3.3Å; S254-R258 PolarHBondContact O-N 3.04Å; S254-R258 VanDerWaalsContact O-N 3.16Å
255V98.1Very high95.4Very high0 Ų036.4 Ų36.40%018%0.178CC..Hα-helixtrans-63.1-54.9-178176.80000111L130 D160 S251 D252 K257 R258 T259 T400L130-V255 HydrophobicContact CD1-CG2 4.22Å; D160-V255 HydrophobicContact CB-CG1 4.1Å; D160-V255 WeakPolarHBondContact OD2-CG1 3.2Å; S251-V255 PolarHBondContact O-N 2.99Å; D252-V255 PolarHBondContact O-N 3.13Å; V255-K257 VanDerWaalsContact C-N 3.31Å; V255-K257 PolarHBondContact O-N 3.47Å; V255-R258 WeakPolarHBondContact O-CB 3.33Å; V255-R258 PolarHBondContact O-N 3.05Å; V255-T259 PolarHBondContact O-N 2.78Å; V255-T259 PolarHBondContact O-OG1 3.26Å; V255-T400 HydrophobicContact CB-CG2 4.41Å; V255-T400 HydrophobicContact CG1-CG2 3.78Å
256V98.1Very high95.4Very high0 Ų041 Ų410%020%0.203CC..Hα-helixtrans-56.4-45.2179.2174.10000110.9D160 V163 D252 R258 T259 Q260 Y274D160-V256 HydrophobicContact CB-CG2 4.32Å; D160-V256 WeakPolarHBondContact OD1-CA 3.5Å; V163-V256 HydrophobicContact CG2-CG1 4.12Å; V163-V256 HydrophobicContact CG2-CG2 4.44Å; D252-V256 WeakPolarHBondContact O-CB 3.41Å; D252-V256 VanDerWaalsContact O-CG2 3.27Å; D252-V256 WeakPolarHBondContact O-CG2 3.41Å; D252-V256 PolarHBondContact O-N 3.4Å; V256-R258 VanDerWaalsContact C-N 3.27Å; V256-R258 PolarHBondContact O-N 2.93Å; V256-T259 WeakPolarHBondContact O-CB 3.32Å; V256-T259 PolarHBondContact O-N 3.42Å; V256-Q260 HydrophobicContact CG1-CG 4.05Å; V256-Q260 VanDerWaalsContact O-CG 3.23Å; V256-Q260 WeakPolarHBondContact O-CG 3.3Å; V256-Q260 PolarHBondContact O-N 2.77Å; V256-Y274 HydrophobicContact CB-CD1 3.54Å; V256-Y274 HydrophobicContact CB-CE1 3.85Å; V256-Y274 HydrophobicContact CB-CG 4.08Å; V256-Y274 HydrophobicContact CG1-CD1 3.59Å; V256-Y274 HydrophobicContact CG1-CD2 4.22Å; V256-Y274 HydrophobicContact CG1-CE1 4.24Å; V256-Y274 HydrophobicContact CG1-CG 3.57Å; V256-Y274 HydrophobicContact CG2-CD1 3.77Å; V256-Y274 HydrophobicContact CG2-CE1 3.55Å; V256-Y274 HydrophobicContact CG2-CG 4.34Å
257K96.4Very high95.4Very high99 Ų9941 Ų4143%0.4320%0.203SC..Hα-helixtrans-60.8-36.3178.8-79177.9178.9-178.80113.4V253 S254 V255 R261V253-K257 HydrophobicContact CG1-CD 4.11Å; V253-K257 VanDerWaalsContact O-CB 3.31Å; V253-K257 WeakPolarHBondContact O-CB 3.35Å; V253-K257 WeakPolarHBondContact O-CD 3.09Å; V253-K257 WeakPolarHBondContact O-CG 3.44Å; V253-K257 PolarHBondContact O-N 3.03Å; S254-K257 PolarHBondContact O-N 3.49Å; V255-K257 VanDerWaalsContact C-N 3.31Å; V255-K257 PolarHBondContact O-N 3.47Å; K257-R261 PolarHBondContact O-N 3.18Å
258R97.1Very high95.3Very high29 Ų2947.3 Ų47.311%0.10923%0.228CC..Hα-helixtrans-71.4-40176.8-70.9166.562-160.3-6.9111L130 S254 V255 V256 R261 Y262 T400L130-R258 VanDerWaalsContact C-NH1 3.32Å; L130-R258 VanDerWaalsContact CB-NH1 3.32Å; L130-R258 PolarHBondContact O-NH1 3.07Å; L130-R258 PolarHBondContact O-NH2 2.76Å; S254-R258 VanDerWaalsContact O-CG 3.32Å; S254-R258 WeakPolarHBondContact O-CG 3.3Å; S254-R258 PolarHBondContact O-N 3.04Å; S254-R258 VanDerWaalsContact O-N 3.16Å; V255-R258 WeakPolarHBondContact O-CB 3.33Å; V255-R258 PolarHBondContact O-N 3.05Å; V256-R258 VanDerWaalsContact C-N 3.27Å; V256-R258 PolarHBondContact O-N 2.93Å; R258-R261 WeakPolarHBondContact O-CB 3.45Å; R258-R261 PolarHBondContact O-N 2.88Å; R258-Y262 PolarHBondContact O-N 3.05Å; R258-T400 HydrophobicContact CB-CG2 3.7Å
259T98.3Very high95.4Very high0 Ų047.7 Ų47.70%023%0.23CC..Hα-helixtrans-55.2-54.1168.6-65.20000110.7D160 I164 V255 V256 R261 Y262 L263 T400D160-T259 WeakPolarHBondContact OD1-CB 3.21Å; D160-T259 WeakPolarHBondContact OD1-CG2 3.26Å; D160-T259 PolarHBondContact OD1-OG1 2.84Å; D160-T259 PolarHBondContact OD2-OG1 3.48Å; I164-T259 HydrophobicContact CD1-CG2 4.01Å; V255-T259 PolarHBondContact O-N 2.78Å; V255-T259 PolarHBondContact O-OG1 3.26Å; V256-T259 WeakPolarHBondContact O-CB 3.32Å; V256-T259 PolarHBondContact O-N 3.42Å; T259-R261 VanDerWaalsContact C-N 3.26Å; T259-R261 PolarHBondContact O-N 3.47Å; T259-Y262 WeakPolarHBondContact O-CB 3.43Å; T259-Y262 PolarHBondContact O-N 3.41Å; T259-L263 HydrophobicContact CG2-CD1 3.81Å; T259-L263 HydrophobicContact CG2-CG 4.19Å; T259-L263 VanDerWaalsContact O-CG 3.32Å; T259-L263 WeakPolarHBondContact O-CG 3.46Å; T259-L263 PolarHBondContact O-N 3.07Å; T259-T400 WeakPolarHBondContact OG1-CB 3.34Å; T259-T400 PolarHBondContact OG1-OG1 3.23Å
260Q97.9Very high95.6Very high5 Ų544.2 Ų44.22%0.02322%0.218CC..Hα-helixtrans-59.9-34.8-178.7-64.1-50.4-5400113.3V256 Y264V256-Q260 HydrophobicContact CG1-CG 4.05Å; V256-Q260 VanDerWaalsContact O-CG 3.23Å; V256-Q260 WeakPolarHBondContact O-CG 3.3Å; V256-Q260 PolarHBondContact O-N 2.77Å; Q260-Y264 WeakPolarHBondContact O-CB 3.47Å; Q260-Y264 PolarHBondContact O-N 3.41Å; Q260-Y264 VanDerWaalsContact O-N 3.13Å
261R96.8Very high95.9Very high35 Ų3543.1 Ų43.113%0.13221%0.206CC..Hα-helixtrans-61.9-51.4171.2179.7-177.3-64.1-88-2111.5K220 V222 K257 R258 T259 L263 Y264 E265K220-R261 PolarHBondContact O-NH1 3.29Å; K220-R261 PolarHBondContact O-NH2 2.88Å; V222-R261 HydrophobicContact CG2-CB 3.75Å; V222-R261 HydrophobicContact CG2-CG 4.26Å; K257-R261 PolarHBondContact O-N 3.18Å; R258-R261 WeakPolarHBondContact O-CB 3.45Å; R258-R261 PolarHBondContact O-N 2.88Å; T259-R261 VanDerWaalsContact C-N 3.26Å; T259-R261 PolarHBondContact O-N 3.47Å; R261-L263 VanDerWaalsContact C-N 3.34Å; R261-L263 PolarHBondContact O-N 3.4Å; R261-Y264 PolarHBondContact O-N 2.87Å; R261-E265 WeakPolarHBondContact CD-OE1 3.32Å; R261-E265 HydrophobicContact CG-CG 4.05Å; R261-E265 VanDerWaalsContact CG-OE1 3.23Å; R261-E265 WeakPolarHBondContact CG-OE1 3.28Å; R261-E265 WeakPolarHBondContact CG-OE2 3.49Å; R261-E265 IonicContact CZ-OE1 3.64Å; R261-E265 IonicContact NH1-OE1 3.9Å; R261-E265 PolarHBondContact NH1-OE1 3.22Å; R261-E265 WeakPolarHBondContact O-CB 3.49Å; R261-E265 WeakPolarHBondContact O-CG 3.37Å; R261-E265 PolarHBondContact O-N 3.43Å
262Y97Very high96Very high36 Ų3643.5 Ų43.514%0.14121%0.209CC..Hα-helixtrans-59.1-45.6-179.6175.9-96.2000111.6R258 T259 Y264 E265 N266 L267 P393 F399 A403R258-Y262 PolarHBondContact O-N 3.05Å; T259-Y262 WeakPolarHBondContact O-CB 3.43Å; T259-Y262 PolarHBondContact O-N 3.41Å; Y262-Y264 VanDerWaalsContact C-N 3.27Å; Y262-Y264 PolarHBondContact O-N 3.27Å; Y262-E265 PolarHBondContact O-N 2.7Å; Y262-N266 HydrophobicContact CD2-CB 4.01Å; Y262-N266 VanDerWaalsContact CD2-OD1 3.24Å; Y262-N266 WeakPolarHBondContact CD2-OD1 3.48Å; Y262-N266 HydrophobicContact CE2-CB 3.72Å; Y262-N266 VanDerWaalsContact O-CB 3.28Å; Y262-N266 WeakPolarHBondContact O-CB 3.18Å; Y262-N266 PolarHBondContact O-N 2.89Å; Y262-N266 PolarHBondContact O-OD1 3.18Å; Y262-L267 HydrophobicContact CE1-CD1 4.07Å; Y262-L267 HydrophobicContact CE1-CG 4.21Å; Y262-P393 VanDerWaalsContact OH-CB 3.31Å; Y262-P393 WeakPolarHBondContact OH-CB 3.29Å; Y262-P393 WeakPolarHBondContact OH-CG 3.41Å; Y262-F399 HydrophobicContact CD2-CD1 4.42Å; Y262-F399 HydrophobicContact CD2-CE1 4.21Å; Y262-F399 HydrophobicContact CE2-CD1 4.25Å; Y262-F399 AromaticContact CE2-CE1 3.7Å; Y262-F399 HydrophobicContact CE2-CE1 3.7Å; Y262-A403 HydrophobicContact CD1-CB 3.56Å; Y262-A403 HydrophobicContact CD2-CB 4.5Å; Y262-A403 HydrophobicContact CE1-CB 4.28Å; Y262-A403 VanDerWaalsContact CE1-O 3.31Å; Y262-A403 WeakPolarHBondContact CE1-O 3.45Å; Y262-A403 HydrophobicContact CG-CB 3.7Å
263L96.8Very high96.1Very high0 Ų044.1 Ų44.10%021%0.211CC..Hα-helixtrans-61-37.8178.3-58.1177000111.7I164 T259 R261 L267 E268 E269I164-L263 HydrophobicContact CD1-CD1 3.43Å; I164-L263 VanDerWaalsContact CD1-CD1 3.43Å; T259-L263 HydrophobicContact CG2-CD1 3.81Å; T259-L263 HydrophobicContact CG2-CG 4.19Å; T259-L263 VanDerWaalsContact O-CG 3.32Å; T259-L263 WeakPolarHBondContact O-CG 3.46Å; T259-L263 PolarHBondContact O-N 3.07Å; R261-L263 VanDerWaalsContact C-N 3.34Å; R261-L263 PolarHBondContact O-N 3.4Å; L263-L267 HydrophobicContact CD2-CD1 3.63Å; L263-L267 CarbonylContact O-C 3.4Å; L263-L267 VanDerWaalsContact O-C 3.3Å; L263-L267 WeakPolarHBondContact O-CA 3.25Å; L263-L267 WeakPolarHBondContact O-CB 3.43Å; L263-L267 PolarHBondContact O-N 2.62Å; L263-L267 VanDerWaalsContact O-N 3.15Å; L263-E268 PolarHBondContact O-N 2.65Å; L263-E268 VanDerWaalsContact O-N 3.11Å; L263-E269 HydrophobicContact CB-CB 4.15Å; L263-E269 PolarHBondContact O-N 3.35Å
264Y96.4Very high96.1Very high102 Ų10243.2 Ų43.240%0.420%0.204SC..Hα-helixtrans-72-50176.6175.6-103.5000113P223 Q260 R261 Y262 E269 P271P223-Y264 HydrophobicContact CG-CD1 4.35Å; P223-Y264 HydrophobicContact CG-CE1 3.69Å; P223-Y264 HydrophobicContact CG-CE2 4.02Å; Q260-Y264 WeakPolarHBondContact O-CB 3.47Å; Q260-Y264 PolarHBondContact O-N 3.41Å; Q260-Y264 VanDerWaalsContact O-N 3.13Å; R261-Y264 PolarHBondContact O-N 2.87Å; Y262-Y264 VanDerWaalsContact C-N 3.27Å; Y262-Y264 PolarHBondContact O-N 3.27Å; Y264-E269 WeakPolarHBondContact CA-O 3.38Å; Y264-P271 HydrophobicContact CD2-CG 4.21Å
265E95.1Very high96.2Very high104 Ų10443.2 Ų43.249%0.48621%0.205SC..Hα-helixtrans-77.2-28.5-172.7-67.3176.4-179.600112.8R261 Y262R261-E265 WeakPolarHBondContact CD-OE1 3.32Å; R261-E265 HydrophobicContact CG-CG 4.05Å; R261-E265 VanDerWaalsContact CG-OE1 3.23Å; R261-E265 WeakPolarHBondContact CG-OE1 3.28Å; R261-E265 WeakPolarHBondContact CG-OE2 3.49Å; R261-E265 IonicContact CZ-OE1 3.64Å; R261-E265 IonicContact NH1-OE1 3.9Å; R261-E265 PolarHBondContact NH1-OE1 3.22Å; R261-E265 WeakPolarHBondContact O-CB 3.49Å; R261-E265 WeakPolarHBondContact O-CG 3.37Å; R261-E265 PolarHBondContact O-N 3.43Å; Y262-E265 PolarHBondContact O-N 2.7Å
266N95.4Very high96.2Very high97 Ų9743.5 Ų43.552%0.51921%0.207SC..Hα-helixtrans-116.4-23.1-172.2-60.492.1000114.4Y262Y262-N266 HydrophobicContact CD2-CB 4.01Å; Y262-N266 VanDerWaalsContact CD2-OD1 3.24Å; Y262-N266 WeakPolarHBondContact CD2-OD1 3.48Å; Y262-N266 HydrophobicContact CE2-CB 3.72Å; Y262-N266 VanDerWaalsContact O-CB 3.28Å; Y262-N266 WeakPolarHBondContact O-CB 3.18Å; Y262-N266 PolarHBondContact O-N 2.89Å; Y262-N266 PolarHBondContact O-OD1 3.18Å
267L95Very high96.2Very high45 Ų4543.9 Ų43.924%0.23621%0.209CC..Hα-helixtrans-119.73.1-177.2-59.2-176.9000113.7Y262 L263 E269Y262-L267 HydrophobicContact CE1-CD1 4.07Å; Y262-L267 HydrophobicContact CE1-CG 4.21Å; L263-L267 HydrophobicContact CD2-CD1 3.63Å; L263-L267 CarbonylContact O-C 3.4Å; L263-L267 VanDerWaalsContact O-C 3.3Å; L263-L267 WeakPolarHBondContact O-CA 3.25Å; L263-L267 WeakPolarHBondContact O-CB 3.43Å; L263-L267 PolarHBondContact O-N 2.62Å; L263-L267 VanDerWaalsContact O-N 3.15Å; L267-E269 HydrophobicContact CB-CG 4.17Å; L267-E269 PolarHBondContact O-N 3.08Å; L267-E269 VanDerWaalsContact O-N 3.14Å
268E93.6Very high96.2Very high186 Ų18640.6 Ų40.687%0.86920%0.197SC*.  trans56.625.9179.2-56.9-179.5176.900113.6L263L263-E268 PolarHBondContact O-N 2.65Å; L263-E268 VanDerWaalsContact O-N 3.11Å
269E93.9Very high96.1Very high56 Ų5640.1 Ų40.126%0.26220%0.197SC..PPolyproline II helixtrans-88.3147.3178.8-65-175-159.500111.9R167 L263 Y264 L267R167-E269 IonicContact CZ-OE2 3.73Å; R167-E269 IonicContact NH1-OE2 2.65Å; R167-E269 PolarHBondContact NH1-OE2 3.27Å; L263-E269 HydrophobicContact CB-CB 4.15Å; L263-E269 PolarHBondContact O-N 3.35Å; Y264-E269 WeakPolarHBondContact CA-O 3.38Å; L267-E269 HydrophobicContact CB-CG 4.17Å; L267-E269 PolarHBondContact O-N 3.08Å; L267-E269 VanDerWaalsContact O-N 3.14Å
270S91.6Very high95.8Very high53 Ų5341.2 Ų41.237%0.37120%0.204SC..PPolyproline II helixtrans-65.6125.3177.1-72.70000111.5R167R167-S270 PolarHBondContact NH2-O 3.48Å; R167-S270 VanDerWaalsContact NH2-O 3.07Å
271P94.3Very high95.5Very high4 Ų442.6 Ų42.63%0.02622%0.219CC..PPolyproline II helixtrans-72.7141.8-178.129.3-34.9000111.3V222 P223 I225 Y264V222-P271 HydrophobicContact CG1-CB 3.32Å; V222-P271 HydrophobicContact CG1-CG 3.73Å; P223-P271 VanDerWaalsContact O-CG 3.3Å; P223-P271 WeakPolarHBondContact O-CG 3.42Å; I225-P271 HydrophobicContact CG1-CG 4.05Å; Y264-P271 HydrophobicContact CD2-CG 4.21Å
272V96.9Very high95.3Very high9 Ų942.7 Ų42.76%0.05523%0.231CC..PPolyproline II helixtrans-100.8127.9178.5173.60000110V163 L174 V177V163-V272 HydrophobicContact CG1-CB 4.18Å; V163-V272 HydrophobicContact CG1-CG1 3.98Å; L174-V272 HydrophobicContact CB-CG2 4.16Å; L174-V272 HydrophobicContact CD2-CG1 4.18Å; L174-V272 HydrophobicContact CD2-CG2 3.86Å; L174-V272 HydrophobicContact CG-CG1 4.22Å; L174-V272 HydrophobicContact CG-CG2 3.86Å; L174-V272 WeakPolarHBondContact O-CG2 3.33Å; V177-V272 HydrophobicContact CB-CG1 4.1Å; V177-V272 HydrophobicContact CG2-CG1 3.66Å
273Q97.4Very high94.9Very high23 Ų2344.8 Ų44.811%0.10724%0.244CC..EExtended strand (participates in β ladder)trans-70.9135.4171-60.2178.367.800109.8T175 A176 V177 L224 I225 P227 L229T175-Q273 WeakPolarHBondContact O-CB 3.08Å; T175-Q273 PolarHBondContact O-N 3.28Å; A176-Q273 CarbonylContact C-O 3.59Å; A176-Q273 VanDerWaalsContact CA-O 3.3Å; A176-Q273 WeakPolarHBondContact CA-O 3.28Å; A176-Q273 HydrophobicContact CB-CB 4.2Å; V177-Q273 PolarHBondContact N-O 2.99Å; L224-Q273 HydrophobicContact CD2-CG 3.94Å; I225-Q273 PolarHBondContact O-NE2 3.41Å; I225-Q273 VanDerWaalsContact O-NE2 3.13Å; P227-Q273 PolarHBondContact O-NE2 3.34Å; L229-Q273 HydrophobicContact CB-CB 3.96Å; L229-Q273 HydrophobicContact CD2-CB 4.3Å
274Y97.6Very high94.5Very high16 Ų1649.1 Ų49.16%0.06327%0.271CS..EExtended strand (participates in β ladder)trans-131.6137.6-173.1-179.3-114.3000113.5V163 V177 S179 D252 V253 V256 A276V163-Y274 HydrophobicContact CG2-CD2 3.74Å; V163-Y274 HydrophobicContact CG2-CE2 3.8Å; V177-Y274 HydrophobicContact CB-CD2 4.26Å; V177-Y274 HydrophobicContact CG1-CD2 4.18Å; V177-Y274 HydrophobicContact CG1-CE2 4.36Å; V177-Y274 WeakPolarHBondContact O-CA 3.44Å; S179-Y274 WeakPolarHBondContact OG-CE2 3.37Å; S179-Y274 PolarHBondContact OG-OH 2.84Å; D252-Y274 HydrophobicContact CB-CE1 4.21Å; V253-Y274 HydrophobicContact CG2-CD1 4.23Å; V253-Y274 HydrophobicContact CG2-CE1 4.1Å; V256-Y274 HydrophobicContact CB-CD1 3.54Å; V256-Y274 HydrophobicContact CB-CE1 3.85Å; V256-Y274 HydrophobicContact CB-CG 4.08Å; V256-Y274 HydrophobicContact CG1-CD1 3.59Å; V256-Y274 HydrophobicContact CG1-CD2 4.22Å; V256-Y274 HydrophobicContact CG1-CE1 4.24Å; V256-Y274 HydrophobicContact CG1-CG 3.57Å; V256-Y274 HydrophobicContact CG2-CD1 3.77Å; V256-Y274 HydrophobicContact CG2-CE1 3.55Å; V256-Y274 HydrophobicContact CG2-CG 4.34Å; Y274-A276 HydrophobicContact CE1-CB 3.91Å
275A97.5Very high94.2Very high8 Ų846.4 Ų46.47%0.06627%0.266CS..EExtended strand (participates in β ladder)trans-134.9139.1168.900000110.3V177 E178 S179 L229 Y277V177-A275 PolarHBondContact O-N 3.42Å; E178-A275 CarbonylContact C-O 3.1Å; E178-A275 WeakPolarHBondContact CA-O 3.45Å; E178-A275 HydrophobicContact CG-CB 4.48Å; S179-A275 PolarHBondContact N-O 3.19Å; L229-A275 HydrophobicContact CD2-CB 3.83Å; A275-Y277 HydrophobicContact CB-CE2 3.77Å
276A97.4Very high93.9Very high7 Ų741.6 Ų41.66%0.05824%0.244CC..EExtended strand (participates in β ladder)trans-119.3136.9-178.300000111F248 D252 V253 Y274F248-A276 HydrophobicContact CB-CB 3.93Å; F248-A276 HydrophobicContact CD1-CB 4.28Å; F248-A276 PolarHBondContact N-O 2.92Å; D252-A276 HydrophobicContact CB-CB 4.48Å; V253-A276 HydrophobicContact CG2-CB 3.78Å; Y274-A276 HydrophobicContact CE1-CB 3.91Å
277Y97.6Very high93.6Very high8 Ų840.9 Ų40.93%0.03124%0.24CC..EExtended strand (participates in β ladder)trans-135.3159.3179.8-52.3-86.5000110.7E178 S179 F180 L181 R232 I246 A275E178-Y277 HydrophobicContact CB-CD2 4.48Å; E178-Y277 HydrophobicContact CB-CE2 4.07Å; E178-Y277 HydrophobicContact CG-CE2 4.11Å; E178-Y277 WeakPolarHBondContact OE1-CE2 3.48Å; E178-Y277 PolarHBondContact OE1-OH 3Å; S179-Y277 PolarHBondContact O-N 2.88Å; F180-Y277 CarbonylContact C-O 3.37Å; F180-Y277 WeakPolarHBondContact CA-O 3.14Å; F180-Y277 HydrophobicContact CD1-CD2 4.35Å; F180-Y277 HydrophobicContact CD1-CG 4.38Å; F180-Y277 AromaticContact CE1-CD2 3.82Å; F180-Y277 HydrophobicContact CE1-CD2 3.82Å; F180-Y277 AromaticContact CE1-CG 3.97Å; F180-Y277 HydrophobicContact CE1-CG 3.97Å; F180-Y277 HydrophobicContact CE2-CD2 4.12Å; F180-Y277 AromaticContact CZ-CD2 3.68Å; F180-Y277 HydrophobicContact CZ-CD2 3.68Å; F180-Y277 HydrophobicContact CZ-CE2 4.16Å; F180-Y277 HydrophobicContact CZ-CG 4.29Å; L181-Y277 PolarHBondContact N-O 2.94Å; R232-Y277 HydrophobicContact CB-CE1 3.8Å; R232-Y277 HydrophobicContact CG-CE1 4.29Å; R232-Y277 WeakPolarHBondContact CG-OH 3.31Å; R232-Y277 PolarHBondContact N-OH 2.79Å; I246-Y277 CarbonylContact O-C 3.58Å; I246-Y277 WeakPolarHBondContact O-CA 3.3Å; I246-Y277 WeakPolarHBondContact O-CB 3.32Å; A275-Y277 HydrophobicContact CB-CE2 3.77Å
278V96.1Very high93.2Very high30 Ų3046.2 Ų46.218%0.18226%0.261CS..EExtended strand (participates in β ladder)trans-114.7130.4168.8-175.60000108.4L181 S245 I246 F248 V280L181-V278 HydrophobicContact CB-CG2 4.34Å; L181-V278 HydrophobicContact CD2-CG2 4.45Å; L181-V278 CarbonylContact O-C 3.46Å; L181-V278 WeakPolarHBondContact O-CA 3.35Å; L181-V278 WeakPolarHBondContact O-CG1 3.25Å; S245-V278 CarbonylContact C-O 3.5Å; S245-V278 WeakPolarHBondContact CA-O 3.42Å; I246-V278 HydrophobicContact CG1-CB 4.47Å; I246-V278 PolarHBondContact N-O 3.1Å; I246-V278 PolarHBondContact O-N 3.34Å; F248-V278 HydrophobicContact CB-CG2 3.89Å; F248-V278 HydrophobicContact CD2-CG2 3.42Å; F248-V278 VanDerWaalsContact CD2-CG2 3.42Å; F248-V278 HydrophobicContact CE2-CG2 4.34Å; F248-V278 HydrophobicContact CG-CG2 4.06Å; V278-V280 HydrophobicContact CB-CG1 4.49Å; V278-V280 HydrophobicContact CG1-CG1 4.13Å
279T96.4Very high92.9Very high18 Ų1841 Ų4111%0.1124%0.238CC..EExtended strand (participates in β ladder)trans-82.3117.7170.8-53.90000108.8L181 T182 Y244L181-T279 PolarHBondContact O-N 3.21Å; T182-T279 WeakPolarHBondContact OG1-CB 3.2Å; Y244-T279 CarbonylContact O-C 3.59Å; Y244-T279 WeakPolarHBondContact O-CA 3.31Å
280V92.1Very high92.7Very high24 Ų2442.8 Ų42.815%0.14525%0.248CC..EExtended strand (participates in β ladder)trans-107.72.7-172.9-60.60000113.1Y244 I246 V278 S285 V286 L289Y244-V280 WeakPolarHBondContact O-CG2 3.45Å; Y244-V280 PolarHBondContact O-N 2.68Å; I246-V280 HydrophobicContact CD1-CG1 3.95Å; I246-V280 HydrophobicContact CG1-CG1 3.94Å; V278-V280 HydrophobicContact CB-CG1 4.49Å; V278-V280 HydrophobicContact CG1-CG1 4.13Å; V280-S285 WeakPolarHBondContact O-CB 3.27Å; V280-S285 PolarHBondContact O-OG 2.69Å; V280-V286 HydrophobicContact CG2-CG2 3.56Å; V280-L289 HydrophobicContact CB-CD1 3.62Å; V280-L289 HydrophobicContact CG1-CD1 3.37Å; V280-L289 HydrophobicContact CG2-CD1 4.29Å
281G90.7Very high92.5Very high34 Ų3447.3 Ų47.335%0.35126%0.261SS..EExtended strand (participates in β ladder)trans87.5-129.1177.800000112.8Y244Y244-G281 WeakPolarHBondContact CB-O 3.48Å; Y244-G281 PolarHBondContact N-O 3.25Å
282G92Very high92.2Very high36 Ų3648.5 Ų48.537%0.37127%0.271SS..SBendtrans-79.1171.5-175.400000114.5T284 S285 V286G282-T284 PolarHBondContact O-N 3.01Å; G282-S285 WeakPolarHBondContact O-CB 3.05Å; G282-S285 PolarHBondContact O-N 2.65Å; G282-S285 VanDerWaalsContact O-N 3.13Å; G282-V286 PolarHBondContact O-N 3.19Å
283I89.5Confident91.7Very high81 Ų8149.4 Ų49.442%0.41528%0.282SS..Hα-helixtrans-61.2-30.4178.9-167.164000112.7Y244 S285 V286 I287Y244-I283 HydrophobicContact CD1-CD1 4.42Å; Y244-I283 HydrophobicContact CD2-CB 4.39Å; Y244-I283 HydrophobicContact CE1-CD1 3.99Å; Y244-I283 HydrophobicContact CE2-CB 3.9Å; Y244-I283 HydrophobicContact CE2-CD1 4.26Å; I283-S285 PolarHBondContact O-N 3.44Å; I283-V286 HydrophobicContact CD1-CB 4.38Å; I283-V286 WeakPolarHBondContact O-CB 3.33Å; I283-V286 PolarHBondContact O-N 3.09Å; I283-I287 HydrophobicContact CG1-CD1 4.37Å; I283-I287 WeakPolarHBondContact O-CG1 3.42Å; I283-I287 PolarHBondContact O-N 3.01Å
284T88.6Confident91.4Very high91 Ų9153.6 Ų53.656%0.55831%0.305SS*.Hα-helixtrans-64.3-39.3176.351.10000112G282 I287 K288G282-T284 PolarHBondContact O-N 3.01Å; T284-I287 PolarHBondContact O-N 2.96Å; T284-K288 WeakPolarHBondContact O-CG 3.34Å; T284-K288 PolarHBondContact O-N 2.87Å; T284-K288 VanDerWaalsContact O-N 3.09Å
285S89Confident91Very high45 Ų4556.4 Ų56.432%0.31532%0.318SS..Hα-helixtrans-65.3-40.5173.9-58.40000111.8V280 G282 I283 I287 K288 L289V280-S285 WeakPolarHBondContact O-CB 3.27Å; V280-S285 PolarHBondContact O-OG 2.69Å; G282-S285 WeakPolarHBondContact O-CB 3.05Å; G282-S285 PolarHBondContact O-N 2.65Å; G282-S285 VanDerWaalsContact O-N 3.13Å; I283-S285 PolarHBondContact O-N 3.44Å; S285-I287 PolarHBondContact O-N 2.94Å; S285-K288 PolarHBondContact O-N 3.47Å; S285-L289 WeakPolarHBondContact O-CB 3.26Å; S285-L289 WeakPolarHBondContact O-CG 3.36Å; S285-L289 PolarHBondContact O-N 3.22Å
286V89.1Confident90.7Very high3 Ų357 Ų572%0.01832%0.319CS..Hα-helixtrans-57.9-50.1174.5177.50000110.4I235 Y244 V280 G282 I283 K288 L289 M290I235-V286 HydrophobicContact CD1-CG1 3.86Å; I235-V286 HydrophobicContact CG1-CG1 4.01Å; I235-V286 HydrophobicContact CG2-CG1 3.83Å; I235-V286 HydrophobicContact CG2-CG2 4.49Å; Y244-V286 VanDerWaalsContact CB-CG2 3.41Å; Y244-V286 HydrophobicContact CD1-CG2 4.32Å; Y244-V286 HydrophobicContact CD2-CG2 4.46Å; Y244-V286 HydrophobicContact CG-CG2 3.83Å; V280-V286 HydrophobicContact CG2-CG2 3.56Å; G282-V286 PolarHBondContact O-N 3.19Å; I283-V286 HydrophobicContact CD1-CB 4.38Å; I283-V286 WeakPolarHBondContact O-CB 3.33Å; I283-V286 PolarHBondContact O-N 3.09Å; V286-K288 PolarHBondContact O-N 3.4Å; V286-L289 PolarHBondContact O-N 3.26Å; V286-M290 HydrophobicContact CG1-CG 4.29Å; V286-M290 HydrophobicContact CG1-SD 4.19Å; V286-M290 WeakPolarHBondContact O-CG 3.38Å; V286-M290 PolarHBondContact O-N 2.69Å
287I88.6Confident90.4Very high82 Ų8260.7 Ų60.742%0.42134%0.337SS..Hα-helixtrans-58.7-47.9-179.6-67.9165.7000110.6I283 T284 S285 L289 M290 F291I283-I287 HydrophobicContact CG1-CD1 4.37Å; I283-I287 WeakPolarHBondContact O-CG1 3.42Å; I283-I287 PolarHBondContact O-N 3.01Å; T284-I287 PolarHBondContact O-N 2.96Å; S285-I287 PolarHBondContact O-N 2.94Å; I287-L289 VanDerWaalsContact C-N 3.35Å; I287-L289 PolarHBondContact O-N 2.82Å; I287-M290 PolarHBondContact O-N 3.45Å; I287-F291 HydrophobicContact CG2-CD2 3.73Å; I287-F291 HydrophobicContact CG2-CE2 3.62Å; I287-F291 VanDerWaalsContact O-CD2 3.25Å; I287-F291 WeakPolarHBondContact O-CD2 3.3Å; I287-F291 PolarHBondContact O-N 3.13Å
288K87.6Confident90.1Very high156 Ų15666.5 Ų66.568%0.67836%0.363SS*.Hα-helixtrans-57.8-46177.2-71.9176.1-177.1-179.30112T284 S285 V286 F291 A292T284-K288 WeakPolarHBondContact O-CG 3.34Å; T284-K288 PolarHBondContact O-N 2.87Å; T284-K288 VanDerWaalsContact O-N 3.09Å; S285-K288 PolarHBondContact O-N 3.47Å; V286-K288 PolarHBondContact O-N 3.4Å; K288-F291 PolarHBondContact O-N 3.16Å; K288-A292 WeakPolarHBondContact O-CB 3.47Å; K288-A292 PolarHBondContact O-N 3.18Å
289L87.7Confident89.9Confident77 Ų7766.9 Ų66.940%0.40336%0.362SS..Hα-helixtrans-67.1-36.5179-76.1170.7000112.6I246 V280 S285 V286 I287 A292 G293I246-L289 HydrophobicContact CD1-CD1 4.4Å; V280-L289 HydrophobicContact CB-CD1 3.62Å; V280-L289 HydrophobicContact CG1-CD1 3.37Å; V280-L289 HydrophobicContact CG2-CD1 4.29Å; S285-L289 WeakPolarHBondContact O-CB 3.26Å; S285-L289 WeakPolarHBondContact O-CG 3.36Å; S285-L289 PolarHBondContact O-N 3.22Å; V286-L289 PolarHBondContact O-N 3.26Å; I287-L289 VanDerWaalsContact C-N 3.35Å; I287-L289 PolarHBondContact O-N 2.82Å; L289-A292 PolarHBondContact O-N 2.69Å; L289-G293 PolarHBondContact O-N 2.66Å
290M88Confident89.8Confident93 Ų9366.2 Ų66.246%0.45836%0.358SS..Hα-helixtrans-62.8-47.2174.6-75.1-174.275.400111.5I235 V286 I287 G293 L294I235-M290 HydrophobicContact CD1-CE 4.06Å; I235-M290 HydrophobicContact CD1-CG 4.31Å; I235-M290 HydrophobicContact CD1-SD 3.37Å; I235-M290 WeakPolarHBondContact CD1-SD 3.44Å; V286-M290 HydrophobicContact CG1-CG 4.29Å; V286-M290 HydrophobicContact CG1-SD 4.19Å; V286-M290 WeakPolarHBondContact O-CG 3.38Å; V286-M290 PolarHBondContact O-N 2.69Å; I287-M290 PolarHBondContact O-N 3.45Å; M290-G293 PolarHBondContact O-N 2.74Å; M290-L294 WeakPolarHBondContact O-CB 3.49Å; M290-L294 WeakPolarHBondContact O-CG 3.42Å; M290-L294 PolarHBondContact O-N 2.83Å
291F88.1Confident89.6Confident149 Ų14974.5 Ų74.565%0.65439%0.386SS*.Hα-helixtrans-61.7-47.2176.5-82.3-70.3000111.6I287 K288 G293 L294 F295I287-F291 HydrophobicContact CG2-CD2 3.73Å; I287-F291 HydrophobicContact CG2-CE2 3.62Å; I287-F291 VanDerWaalsContact O-CD2 3.25Å; I287-F291 WeakPolarHBondContact O-CD2 3.3Å; I287-F291 PolarHBondContact O-N 3.13Å; K288-F291 PolarHBondContact O-N 3.16Å; F291-G293 VanDerWaalsContact C-N 3.33Å; F291-G293 PolarHBondContact O-N 2.82Å; F291-L294 PolarHBondContact O-N 3.29Å; F291-F295 VanDerWaalsContact O-CB 3.27Å; F291-F295 WeakPolarHBondContact O-CB 3.48Å; F291-F295 PolarHBondContact O-N 3.39Å
292A87.4Confident89.5Confident28 Ų2878.4 Ų78.423%0.23139%0.394CS..Hα-helixtrans-61.2-41.2176.800000112.2K288 L289 F296 F318K288-A292 WeakPolarHBondContact O-CB 3.47Å; K288-A292 PolarHBondContact O-N 3.18Å; L289-A292 PolarHBondContact O-N 2.69Å; A292-F296 VanDerWaalsContact O-CB 3.29Å; A292-F296 WeakPolarHBondContact O-CB 3.45Å; A292-F296 PolarHBondContact O-N 2.86Å; A292-F318 HydrophobicContact CB-CD2 4.05Å; A292-F318 HydrophobicContact CB-CE2 3.79Å
293G88.2Confident89.3Confident28 Ų2878.7 Ų78.729%0.28940%0.397SS..Hα-helixtrans-67.6-4517900000113.2L289 M290 F291 F295 F296 L297L289-G293 PolarHBondContact O-N 2.66Å; M290-G293 PolarHBondContact O-N 2.74Å; F291-G293 VanDerWaalsContact C-N 3.33Å; F291-G293 PolarHBondContact O-N 2.82Å; G293-F295 VanDerWaalsContact C-N 3.34Å; G293-F296 PolarHBondContact O-N 3.09Å; G293-L297 WeakPolarHBondContact O-CB 3.3Å; G293-L297 VanDerWaalsContact O-CG 3.24Å; G293-L297 WeakPolarHBondContact O-CG 3.43Å; G293-L297 PolarHBondContact O-N 2.77Å
294L89.5Confident89.5Confident112 Ų11281.4 Ų81.459%0.58641%0.411SS*.Hα-helixtrans-62.3-43.4175.2-73.3173.8000111.4M290 F291 L297 F298M290-L294 WeakPolarHBondContact O-CB 3.49Å; M290-L294 WeakPolarHBondContact O-CG 3.42Å; M290-L294 PolarHBondContact O-N 2.83Å; F291-L294 PolarHBondContact O-N 3.29Å; L294-L297 PolarHBondContact O-N 3.48Å; L294-F298 WeakPolarHBondContact O-CB 3.44Å; L294-F298 PolarHBondContact O-N 3.32Å
295F89.2Confident89.8Confident75 Ų7577.4 Ų77.433%0.32939%0.388SS..Hα-helixtrans-60.4-48.8175.4-171.9-107.5000111F291 G293 L297 F298 F299 F316F291-F295 VanDerWaalsContact O-CB 3.27Å; F291-F295 WeakPolarHBondContact O-CB 3.48Å; F291-F295 PolarHBondContact O-N 3.39Å; G293-F295 VanDerWaalsContact C-N 3.34Å; F295-L297 PolarHBondContact O-N 3.28Å; F295-F298 WeakPolarHBondContact O-CB 3.32Å; F295-F298 PolarHBondContact O-N 3.42Å; F295-F299 HydrophobicContact CD1-CD2 4.35Å; F295-F299 HydrophobicContact CD1-CE2 4.42Å; F295-F299 HydrophobicContact CD2-CD2 4.32Å; F295-F299 AromaticContact CD2-CE2 3.89Å; F295-F299 HydrophobicContact CD2-CE2 3.89Å; F295-F299 HydrophobicContact CE1-CD2 4.2Å; F295-F299 AromaticContact CE1-CE2 3.98Å; F295-F299 HydrophobicContact CE1-CE2 3.98Å; F295-F299 HydrophobicContact CE2-CD2 4.15Å; F295-F299 AromaticContact CE2-CE2 3.36Å; F295-F299 HydrophobicContact CE2-CE2 3.36Å; F295-F299 HydrophobicContact CE2-CZ 4.19Å; F295-F299 HydrophobicContact CG-CD2 4.42Å; F295-F299 HydrophobicContact CG-CE2 4.39Å; F295-F299 HydrophobicContact CZ-CD2 4.08Å; F295-F299 AromaticContact CZ-CE2 3.4Å; F295-F299 HydrophobicContact CZ-CE2 3.4Å; F295-F299 VanDerWaalsContact CZ-CE2 3.4Å; F295-F299 HydrophobicContact CZ-CZ 4.03Å; F295-F299 WeakPolarHBondContact O-CD2 3.32Å; F295-F299 PolarHBondContact O-N 2.7Å; F295-F316 HydrophobicContact CD1-CD1 4.32Å; F295-F316 AromaticContact CE1-CD1 3.39Å; F295-F316 HydrophobicContact CE1-CD1 3.39Å; F295-F316 AromaticContact CE1-CE1 3.7Å; F295-F316 HydrophobicContact CE1-CE1 3.7Å; F295-F316 HydrophobicContact CE1-CG 4.47Å; F295-F316 HydrophobicContact CZ-CD1 4Å; F295-F316 AromaticContact CZ-CE1 3.81Å; F295-F316 HydrophobicContact CZ-CE1 3.81Å
296F92.1Very high90Very high20 Ų2078.8 Ų78.89%0.08839%0.386CS..Hα-helixtrans-57.1-50.8175.7175.8-100.3000112.5W197 A200 I201 F204 A292 G293 F298 F299 V300 L309W197-F296 HydrophobicContact CE3-CE2 4.31Å; W197-F296 AromaticContact CH2-CD2 3.27Å; W197-F296 HydrophobicContact CH2-CD2 3.27Å; W197-F296 AromaticContact CH2-CE2 3.52Å; W197-F296 HydrophobicContact CH2-CE2 3.52Å; W197-F296 HydrophobicContact CH2-CG 4.32Å; W197-F296 AromaticContact CZ2-CD2 3.77Å; W197-F296 HydrophobicContact CZ2-CD2 3.77Å; W197-F296 AromaticContact CZ2-CE2 3.87Å; W197-F296 HydrophobicContact CZ2-CE2 3.87Å; W197-F296 AromaticContact CZ3-CD2 3.87Å; W197-F296 HydrophobicContact CZ3-CD2 3.87Å; W197-F296 AromaticContact CZ3-CE2 3.76Å; W197-F296 HydrophobicContact CZ3-CE2 3.76Å; A200-F296 HydrophobicContact CB-CZ 4.28Å; I201-F296 HydrophobicContact CG1-CE2 3.7Å; I201-F296 HydrophobicContact CG1-CZ 4.11Å; F204-F296 HydrophobicContact CB-CE1 4.06Å; F204-F296 HydrophobicContact CD1-CE1 4.41Å; F204-F296 AromaticContact CD2-CE1 3.82Å; F204-F296 HydrophobicContact CD2-CE1 3.82Å; F204-F296 HydrophobicContact CD2-CZ 4.31Å; F204-F296 HydrophobicContact CE2-CE1 4.33Å; F204-F296 AromaticContact CG-CE1 3.85Å; F204-F296 HydrophobicContact CG-CE1 3.85Å; A292-F296 VanDerWaalsContact O-CB 3.29Å; A292-F296 WeakPolarHBondContact O-CB 3.45Å; A292-F296 PolarHBondContact O-N 2.86Å; G293-F296 PolarHBondContact O-N 3.09Å; F296-F298 VanDerWaalsContact C-N 3.26Å; F296-F298 PolarHBondContact O-N 2.89Å; F296-F299 PolarHBondContact O-N 2.9Å; F296-V300 HydrophobicContact CD1-CG2 4.01Å; F296-V300 HydrophobicContact CD2-CG2 4.05Å; F296-V300 HydrophobicContact CE1-CG2 3.66Å; F296-V300 HydrophobicContact CE2-CG2 3.71Å; F296-V300 HydrophobicContact CG-CG2 4.21Å; F296-V300 HydrophobicContact CZ-CG2 3.51Å; F296-V300 VanDerWaalsContact O-CG2 3.31Å; F296-V300 WeakPolarHBondContact O-CG2 3.27Å; F296-V300 PolarHBondContact O-N 3.12Å; F296-L309 HydrophobicContact CD2-CD1 4.07Å; F296-L309 HydrophobicContact CD2-CD2 4.41Å; F296-L309 HydrophobicContact CE2-CD1 4.14Å
297L90.6Very high90.2Very high85 Ų8584.4 Ų84.445%0.44541%0.412SS..Hα-helixtrans-61.1-34.6-179.1-72.1172.9000112.5F204 G293 L294 F295F204-L297 HydrophobicContact CD1-CD2 3.7Å; F204-L297 HydrophobicContact CE1-CD2 4.12Å; G293-L297 WeakPolarHBondContact O-CB 3.3Å; G293-L297 VanDerWaalsContact O-CG 3.24Å; G293-L297 WeakPolarHBondContact O-CG 3.43Å; G293-L297 PolarHBondContact O-N 2.77Å; L294-L297 PolarHBondContact O-N 3.48Å; F295-L297 PolarHBondContact O-N 3.28Å
298F91.9Very high90.5Very high130 Ų13083.3 Ų83.357%0.5741%0.407SS*.Hα-helixtrans-62.3-50.4174.3176.9-98000111.7L294 F295 F296 R301L294-F298 WeakPolarHBondContact O-CB 3.44Å; L294-F298 PolarHBondContact O-N 3.32Å; F295-F298 WeakPolarHBondContact O-CB 3.32Å; F295-F298 PolarHBondContact O-N 3.42Å; F296-F298 VanDerWaalsContact C-N 3.26Å; F296-F298 PolarHBondContact O-N 2.89Å; F298-R301 PolarHBondContact O-N 2.98Å
299F92.3Very high90.8Very high37 Ų3775.9 Ų75.916%0.16238%0.375CS..Hα-helixtrans-70.6-34.3-178.2-82.2-92.8000113.1F295 F296 R301 F302 G305 R306 L308 L309 F316F295-F299 HydrophobicContact CD1-CD2 4.35Å; F295-F299 HydrophobicContact CD1-CE2 4.42Å; F295-F299 HydrophobicContact CD2-CD2 4.32Å; F295-F299 AromaticContact CD2-CE2 3.89Å; F295-F299 HydrophobicContact CD2-CE2 3.89Å; F295-F299 HydrophobicContact CE1-CD2 4.2Å; F295-F299 AromaticContact CE1-CE2 3.98Å; F295-F299 HydrophobicContact CE1-CE2 3.98Å; F295-F299 HydrophobicContact CE2-CD2 4.15Å; F295-F299 AromaticContact CE2-CE2 3.36Å; F295-F299 HydrophobicContact CE2-CE2 3.36Å; F295-F299 HydrophobicContact CE2-CZ 4.19Å; F295-F299 HydrophobicContact CG-CD2 4.42Å; F295-F299 HydrophobicContact CG-CE2 4.39Å; F295-F299 HydrophobicContact CZ-CD2 4.08Å; F295-F299 AromaticContact CZ-CE2 3.4Å; F295-F299 HydrophobicContact CZ-CE2 3.4Å; F295-F299 VanDerWaalsContact CZ-CE2 3.4Å; F295-F299 HydrophobicContact CZ-CZ 4.03Å; F295-F299 WeakPolarHBondContact O-CD2 3.32Å; F295-F299 PolarHBondContact O-N 2.7Å; F296-F299 PolarHBondContact O-N 2.9Å; F299-R301 PolarHBondContact O-N 3.07Å; F299-F302 PolarHBondContact O-N 3.33Å; F299-G305 CarbonylContact O-C 3.57Å; F299-G305 VanDerWaalsContact O-C 3.26Å; F299-G305 VanDerWaalsContact O-CA 3.26Å; F299-G305 WeakPolarHBondContact O-CA 3.34Å; F299-R306 PolarHBondContact O-N 3.33Å; F299-L308 HydrophobicContact CD1-CD1 4.29Å; F299-L308 HydrophobicContact CE1-CD1 3.89Å; F299-L309 HydrophobicContact CB-CD1 3.69Å; F299-L309 HydrophobicContact CB-CD2 3.89Å; F299-L309 HydrophobicContact CB-CG 3.78Å; F299-L309 HydrophobicContact CG-CD2 4.38Å; F299-F316 HydrophobicContact CD1-CE1 4.04Å; F299-F316 HydrophobicContact CD2-CE1 4.3Å; F299-F316 AromaticContact CE1-CE1 3.8Å; F299-F316 HydrophobicContact CE1-CE1 3.8Å; F299-F316 HydrophobicContact CE1-CZ 4.25Å; F299-F316 HydrophobicContact CE2-CE1 4.09Å; F299-F316 HydrophobicContact CG-CE1 4.31Å; F299-F316 AromaticContact CZ-CE1 3.84Å; F299-F316 HydrophobicContact CZ-CE1 3.84Å
300V92.7Very high91.1Very high4 Ų473.5 Ų73.52%0.02436%0.362CS..Hα-helixtrans-63-26.6-179.8167.80000112.8I201 F204 G205 F296 F302 R306 L309I201-V300 HydrophobicContact CG2-CG2 4.4Å; I201-V300 WeakPolarHBondContact O-CG1 3.46Å; F204-V300 HydrophobicContact CB-CG1 3.88Å; G205-V300 VanDerWaalsContact N-CG1 3.32Å; F296-V300 HydrophobicContact CD1-CG2 4.01Å; F296-V300 HydrophobicContact CD2-CG2 4.05Å; F296-V300 HydrophobicContact CE1-CG2 3.66Å; F296-V300 HydrophobicContact CE2-CG2 3.71Å; F296-V300 HydrophobicContact CG-CG2 4.21Å; F296-V300 HydrophobicContact CZ-CG2 3.51Å; F296-V300 VanDerWaalsContact O-CG2 3.31Å; F296-V300 WeakPolarHBondContact O-CG2 3.27Å; F296-V300 PolarHBondContact O-N 3.12Å; V300-F302 VanDerWaalsContact C-N 3.28Å; V300-F302 PolarHBondContact O-N 2.72Å; V300-R306 WeakPolarHBondContact O-CD 3.35Å; V300-R306 VanDerWaalsContact O-CG 3.31Å; V300-R306 WeakPolarHBondContact O-CG 3.37Å; V300-R306 PolarHBondContact O-NH1 3.47Å; V300-L309 HydrophobicContact CB-CD1 4.48Å; V300-L309 HydrophobicContact CG2-CD1 3.49Å; V300-L309 VanDerWaalsContact CG2-CD1 3.49Å
301R87.9Confident91.4Very high198 Ų19875.3 Ų75.375%0.74737%0.367SS*.THydrogen-bonded Turntrans-66.7-25.6-175.3-168.9172.2179.997.6-1.5113.8F298 F299F298-R301 PolarHBondContact O-N 2.98Å; F299-R301 PolarHBondContact O-N 3.07Å
302F88.6Confident91.7Very high116 Ų11672.9 Ų72.951%0.50936%0.357SS..SBendtrans-120.9147.2-174.5-50.5-81000111.7F299 V300 I304 G305 R306F299-F302 PolarHBondContact O-N 3.33Å; V300-F302 VanDerWaalsContact C-N 3.28Å; V300-F302 PolarHBondContact O-N 2.72Å; F302-I304 PolarHBondContact O-N 3.45Å; F302-G305 PolarHBondContact O-N 3.32Å; F302-G305 VanDerWaalsContact O-N 3.12Å; F302-R306 PolarHBondContact O-N 3.14Å
303G89.6Confident92Very high43 Ų4371.9 Ų71.944%0.44335%0.348SS..Hα-helixtrans-57.3-46.3-176.400000113.6G305 R306 Q307G303-G305 VanDerWaalsContact C-N 3.32Å; G303-G305 PolarHBondContact O-N 3.16Å; G303-R306 PolarHBondContact O-N 2.67Å; G303-Q307 WeakPolarHBondContact O-CG 3.17Å; G303-Q307 PolarHBondContact O-N 3.33Å; G303-Q307 VanDerWaalsContact O-N 3.12Å
304I93.4Very high92.1Very high137 Ų13778.5 Ų78.570%0.70336%0.364SS*.Hα-helixtrans-62.4-41.5176.9-62.2172.4000110.8F302 R306 Q307 L308F302-I304 PolarHBondContact O-N 3.45Å; I304-R306 PolarHBondContact O-N 3.32Å; I304-Q307 WeakPolarHBondContact O-CB 3.45Å; I304-Q307 PolarHBondContact O-N 3.24Å; I304-Q307 VanDerWaalsContact O-N 3.16Å; I304-L308 HydrophobicContact CG2-CD1 4.49Å; I304-L308 PolarHBondContact O-N 3.32Å
305G93.4Very high92.3Very high7 Ų779.5 Ų79.57%0.07236%0.364CS..Hα-helixtrans-63-43.3179.300000112.1F299 F302 G303 Q307 L308 L309F299-G305 CarbonylContact O-C 3.57Å; F299-G305 VanDerWaalsContact O-C 3.26Å; F299-G305 VanDerWaalsContact O-CA 3.26Å; F299-G305 WeakPolarHBondContact O-CA 3.34Å; F302-G305 PolarHBondContact O-N 3.32Å; F302-G305 VanDerWaalsContact O-N 3.12Å; G303-G305 VanDerWaalsContact C-N 3.32Å; G303-G305 PolarHBondContact O-N 3.16Å; G305-Q307 VanDerWaalsContact C-N 3.32Å; G305-Q307 PolarHBondContact O-N 2.9Å; G305-L308 WeakPolarHBondContact O-CB 3.17Å; G305-L308 PolarHBondContact O-N 2.99Å; G305-L308 VanDerWaalsContact O-N 3.17Å; G305-L309 WeakPolarHBondContact O-CG 3.45Å; G305-L309 PolarHBondContact O-N 3.08Å
306R94Very high92.4Very high75 Ų7576.9 Ų76.928%0.28335%0.353SS..Hα-helixtrans-58.1-42.2172-67.4-169.1-67.9-124.28.2112.6I201 F299 V300 F302 G303 I304 L308 L309 I310I201-R306 HydrophobicContact CG2-CB 3.89Å; I201-R306 HydrophobicContact CG2-CG 3.72Å; F299-R306 PolarHBondContact O-N 3.33Å; V300-R306 WeakPolarHBondContact O-CD 3.35Å; V300-R306 VanDerWaalsContact O-CG 3.31Å; V300-R306 WeakPolarHBondContact O-CG 3.37Å; V300-R306 PolarHBondContact O-NH1 3.47Å; F302-R306 PolarHBondContact O-N 3.14Å; G303-R306 PolarHBondContact O-N 2.67Å; I304-R306 PolarHBondContact O-N 3.32Å; R306-L308 VanDerWaalsContact C-N 3.32Å; R306-L308 PolarHBondContact O-N 2.71Å; R306-L309 PolarHBondContact O-N 3.13Å; R306-I310 VanDerWaalsContact O-CG1 3.25Å; R306-I310 WeakPolarHBondContact O-CG1 3.33Å; R306-I310 PolarHBondContact O-N 2.9Å
307Q93.6Very high92.3Very high120 Ų12076.3 Ų76.356%0.56135%0.351SS*.Hα-helixtrans-62.9-38.5177.3-67.8-64.4-11.900112.2G303 I304 G305 I310 K311G303-Q307 WeakPolarHBondContact O-CG 3.17Å; G303-Q307 PolarHBondContact O-N 3.33Å; G303-Q307 VanDerWaalsContact O-N 3.12Å; I304-Q307 WeakPolarHBondContact O-CB 3.45Å; I304-Q307 PolarHBondContact O-N 3.24Å; I304-Q307 VanDerWaalsContact O-N 3.16Å; G305-Q307 VanDerWaalsContact C-N 3.32Å; G305-Q307 PolarHBondContact O-N 2.9Å; Q307-I310 PolarHBondContact O-N 3.19Å; Q307-K311 VanDerWaalsContact O-CB 3.25Å; Q307-K311 WeakPolarHBondContact O-CB 3.39Å; Q307-K311 PolarHBondContact O-N 2.84Å
308L94.4Very high92.2Very high60 Ų6078.6 Ų78.631%0.31436%0.358SS..Hα-helixtrans-64.1-47.4174.8-70172.9000111.9F299 I304 G305 R306 I310 K311 F312 F316F299-L308 HydrophobicContact CD1-CD1 4.29Å; F299-L308 HydrophobicContact CE1-CD1 3.89Å; I304-L308 HydrophobicContact CG2-CD1 4.49Å; I304-L308 PolarHBondContact O-N 3.32Å; G305-L308 WeakPolarHBondContact O-CB 3.17Å; G305-L308 PolarHBondContact O-N 2.99Å; G305-L308 VanDerWaalsContact O-N 3.17Å; R306-L308 VanDerWaalsContact C-N 3.32Å; R306-L308 PolarHBondContact O-N 2.71Å; L308-I310 VanDerWaalsContact C-N 3.26Å; L308-I310 PolarHBondContact O-N 3.1Å; L308-K311 PolarHBondContact O-N 3.09Å; L308-F312 HydrophobicContact CD2-CD2 4.38Å; L308-F312 HydrophobicContact CD2-CE2 4.2Å; L308-F312 PolarHBondContact O-N 3.06Å; L308-F316 HydrophobicContact CB-CE2 4.05Å; L308-F316 HydrophobicContact CB-CZ 3.98Å
309L93.9Very high92.1Very high0 Ų073.5 Ų73.50%034%0.341CS..Hα-helixtrans-57.3-40.7176.7-63.9173.8000111.6W197 I201 F296 F299 V300 G305 R306 F316W197-L309 HydrophobicContact CZ2-CB 4.45Å; W197-L309 HydrophobicContact CZ2-CD2 4.04Å; W197-L309 PolarHBondContact NE1-O 3.22Å; I201-L309 HydrophobicContact CD1-CB 3.47Å; I201-L309 VanDerWaalsContact CD1-CB 3.47Å; I201-L309 HydrophobicContact CD1-CD1 4.37Å; I201-L309 HydrophobicContact CG1-CB 4.09Å; I201-L309 HydrophobicContact CG1-CD1 4.07Å; F296-L309 HydrophobicContact CD2-CD1 4.07Å; F296-L309 HydrophobicContact CD2-CD2 4.41Å; F296-L309 HydrophobicContact CE2-CD1 4.14Å; F299-L309 HydrophobicContact CB-CD1 3.69Å; F299-L309 HydrophobicContact CB-CD2 3.89Å; F299-L309 HydrophobicContact CB-CG 3.78Å; F299-L309 HydrophobicContact CG-CD2 4.38Å; V300-L309 HydrophobicContact CB-CD1 4.48Å; V300-L309 HydrophobicContact CG2-CD1 3.49Å; V300-L309 VanDerWaalsContact CG2-CD1 3.49Å; G305-L309 WeakPolarHBondContact O-CG 3.45Å; G305-L309 PolarHBondContact O-N 3.08Å; R306-L309 PolarHBondContact O-N 3.13Å; L309-F316 HydrophobicContact CD2-CB 3.63Å; L309-F316 HydrophobicContact CD2-CD1 3.52Å; L309-F316 HydrophobicContact CD2-CE1 4.42Å; L309-F316 HydrophobicContact CD2-CG 3.72Å
310I93.9Very high92Very high26 Ų2677.8 Ų77.813%0.13336%0.358CS..Hα-helixtrans-72.7-40.4178.9-67.1169.1000111.8K198 I201 Y202 R306 Q307 L308K198-I310 HydrophobicContact CG-CG1 4.31Å; K198-I310 HydrophobicContact CG-CG2 4.4Å; I201-I310 HydrophobicContact CD1-CG1 3.68Å; Y202-I310 HydrophobicContact CE2-CD1 3.91Å; Y202-I310 WeakPolarHBondContact OH-CD1 3.22Å; R306-I310 VanDerWaalsContact O-CG1 3.25Å; R306-I310 WeakPolarHBondContact O-CG1 3.33Å; R306-I310 PolarHBondContact O-N 2.9Å; Q307-I310 PolarHBondContact O-N 3.19Å; L308-I310 VanDerWaalsContact C-N 3.26Å; L308-I310 PolarHBondContact O-N 3.1Å
311K94.5Very high92Very high132 Ų13279 Ų7957%0.57436%0.363SS*.Hα-helixtrans-70.8-38.5-175.3-171.9171.7-179.8179.50111.8Q307 L308 P313 K323Q307-K311 VanDerWaalsContact O-CB 3.25Å; Q307-K311 WeakPolarHBondContact O-CB 3.39Å; Q307-K311 PolarHBondContact O-N 2.84Å; L308-K311 PolarHBondContact O-N 3.09Å; K311-P313 VanDerWaalsContact C-CD 3.42Å; K311-P313 WeakPolarHBondContact O-CD 3.48Å; K311-K323 PolarHBondContact O-NZ 3.29Å
312F94Very high92.3Very high97 Ų9770.1 Ų70.143%0.42533%0.33SS..  trans-123.159.8-174-53.7-72.9000112.5L308 W314 F315 F316L308-F312 HydrophobicContact CD2-CD2 4.38Å; L308-F312 HydrophobicContact CD2-CE2 4.2Å; L308-F312 PolarHBondContact O-N 3.06Å; F312-W314 VanDerWaalsContact C-N 3.31Å; F312-W314 PolarHBondContact O-N 2.9Å; F312-F315 HydrophobicContact CB-CB 4.33Å; F312-F315 PolarHBondContact O-N 3.25Å; F312-F316 HydrophobicContact CB-CD2 3.86Å; F312-F316 HydrophobicContact CB-CE2 4.07Å; F312-F316 HydrophobicContact CD2-CE2 4.3Å; F312-F316 WeakPolarHBondContact O-CD2 3.36Å; F312-F316 PolarHBondContact O-N 2.94Å; F312-F316 VanDerWaalsContact O-N 3.12Å
313P93.4Very high92.5Very high7 Ų769.8 Ų69.85%0.04533%0.329CS..Hα-helixtrans-60-41-172.624.8-33.9000112.1D194 W197 K311 F315 F316 S317 F321 K323D194-P313 HydrophobicContact CB-CB 4.28Å; D194-P313 HydrophobicContact CB-CG 4.16Å; W197-P313 HydrophobicContact CG-CB 4.45Å; K311-P313 VanDerWaalsContact C-CD 3.42Å; K311-P313 WeakPolarHBondContact O-CD 3.48Å; P313-F315 PolarHBondContact O-N 2.8Å; P313-F316 PolarHBondContact O-N 2.88Å; P313-S317 WeakPolarHBondContact O-CB 3.22Å; P313-S317 PolarHBondContact O-N 3.25Å; P313-S317 PolarHBondContact O-OG 2.98Å; P313-F321 CarbonylContact C-O 3.52Å; P313-F321 VanDerWaalsContact C-O 3.29Å; P313-F321 HydrophobicContact CB-CB 4.36Å; P313-K323 HydrophobicContact CG-CG 4.11Å
314W92Very high92.7Very high167 Ų16775 Ų7563%0.63334%0.342SS*.Hα-helixtrans-60.1-45.3-179.3-175.791.1000112.4F312 F318 G319 F321F312-W314 VanDerWaalsContact C-N 3.31Å; F312-W314 PolarHBondContact O-N 2.9Å; W314-F318 PolarHBondContact O-N 2.83Å; W314-G319 PolarHBondContact O-N 2.8Å; W314-F321 WeakPolarHBondContact CA-O 3.45Å; W314-F321 PolarHBondContact N-O 3.4Å; W314-F321 VanDerWaalsContact N-O 3.08Å
315F92.1Very high92.7Very high134 Ų13468.8 Ų68.859%0.58831%0.312SS*.Hα-helixtrans-68.3-50.7-179.8179.9-96.9000111.5F312 P313 S317 F318F312-F315 HydrophobicContact CB-CB 4.33Å; F312-F315 PolarHBondContact O-N 3.25Å; P313-F315 PolarHBondContact O-N 2.8Å; F315-S317 PolarHBondContact O-N 3.33Å; F315-F318 PolarHBondContact O-N 3Å
316F91.2Very high92.8Very high20 Ų2069.1 Ų69.19%0.08831%0.312CS..Hα-helixtrans-75.1-12-175.6-78.7-87.6000114.2W197 F295 F299 L308 L309 F312 P313W197-F316 HydrophobicContact CZ2-CB 4.3Å; F295-F316 HydrophobicContact CD1-CD1 4.32Å; F295-F316 AromaticContact CE1-CD1 3.39Å; F295-F316 HydrophobicContact CE1-CD1 3.39Å; F295-F316 AromaticContact CE1-CE1 3.7Å; F295-F316 HydrophobicContact CE1-CE1 3.7Å; F295-F316 HydrophobicContact CE1-CG 4.47Å; F295-F316 HydrophobicContact CZ-CD1 4Å; F295-F316 AromaticContact CZ-CE1 3.81Å; F295-F316 HydrophobicContact CZ-CE1 3.81Å; F299-F316 HydrophobicContact CD1-CE1 4.04Å; F299-F316 HydrophobicContact CD2-CE1 4.3Å; F299-F316 AromaticContact CE1-CE1 3.8Å; F299-F316 HydrophobicContact CE1-CE1 3.8Å; F299-F316 HydrophobicContact CE1-CZ 4.25Å; F299-F316 HydrophobicContact CE2-CE1 4.09Å; F299-F316 HydrophobicContact CG-CE1 4.31Å; F299-F316 AromaticContact CZ-CE1 3.84Å; F299-F316 HydrophobicContact CZ-CE1 3.84Å; L308-F316 HydrophobicContact CB-CE2 4.05Å; L308-F316 HydrophobicContact CB-CZ 3.98Å; L309-F316 HydrophobicContact CD2-CB 3.63Å; L309-F316 HydrophobicContact CD2-CD1 3.52Å; L309-F316 HydrophobicContact CD2-CE1 4.42Å; L309-F316 HydrophobicContact CD2-CG 3.72Å; F312-F316 HydrophobicContact CB-CD2 3.86Å; F312-F316 HydrophobicContact CB-CE2 4.07Å; F312-F316 HydrophobicContact CD2-CE2 4.3Å; F312-F316 WeakPolarHBondContact O-CD2 3.36Å; F312-F316 PolarHBondContact O-N 2.94Å; F312-F316 VanDerWaalsContact O-N 3.12Å; P313-F316 PolarHBondContact O-N 2.88Å
317S90.2Very high92.9Very high8 Ų869.2 Ų69.26%0.05632%0.322CS..THydrogen-bonded Turntrans-106.18.2172.668.30000114P313 F315 G319 Y320 F321P313-S317 WeakPolarHBondContact O-CB 3.22Å; P313-S317 PolarHBondContact O-N 3.25Å; P313-S317 PolarHBondContact O-OG 2.98Å; F315-S317 PolarHBondContact O-N 3.33Å; S317-G319 PolarHBondContact O-N 2.97Å; S317-Y320 VanDerWaalsContact O-CD2 3.24Å; S317-Y320 WeakPolarHBondContact O-CD2 3.16Å; S317-Y320 PolarHBondContact O-N 3.01Å; S317-Y320 PolarHBondContact OG-N 2.76Å; S317-F321 PolarHBondContact OG-N 3.02Å; S317-F321 PolarHBondContact OG-O 3.03Å
318F90Very high92.9Very high133 Ų13367.6 Ų67.658%0.58331%0.314SS*.THydrogen-bonded Turntrans54.937.9-178.5-53.4-86000113.2A292 W314 F315A292-F318 HydrophobicContact CB-CD2 4.05Å; A292-F318 HydrophobicContact CB-CE2 3.79Å; W314-F318 PolarHBondContact O-N 2.83Å; F315-F318 PolarHBondContact O-N 3Å
319G88.6Confident93Very high22 Ų2272 Ų7223%0.22733%0.33CS..THydrogen-bonded Turntrans89.5-6.6177.200000116W314 S317W314-G319 PolarHBondContact O-N 2.8Å; S317-G319 PolarHBondContact O-N 2.97Å
320Y90.4Very high93.1Very high128 Ų12873.4 Ų73.450%0.50234%0.337SS..SBendtrans-75.2-26-177.9-73.8-73000114.3L190 S191 I192 S317L190-Y320 HydrophobicContact CB-CD1 4.42Å; S191-Y320 CarbonylContact C-O 3.14Å; S191-Y320 WeakPolarHBondContact CA-O 3.37Å; I192-Y320 PolarHBondContact N-O 2.92Å; S317-Y320 VanDerWaalsContact O-CD2 3.24Å; S317-Y320 WeakPolarHBondContact O-CD2 3.16Å; S317-Y320 PolarHBondContact O-N 3.01Å; S317-Y320 PolarHBondContact OG-N 2.76Å
321F93.6Very high93.2Very high30 Ų3072.5 Ų72.513%0.13233%0.332CS..EExtended strand (participates in β ladder)trans-122.1131.6179.3-66.4-93.9000112.5I192 T196 W197 P313 W314 S317I192-F321 HydrophobicContact CB-CD1 3.65Å; I192-F321 HydrophobicContact CB-CE1 3.65Å; I192-F321 HydrophobicContact CB-CG 4.43Å; I192-F321 HydrophobicContact CB-CZ 4.41Å; I192-F321 HydrophobicContact CD1-CE1 4.02Å; I192-F321 HydrophobicContact CD1-CZ 4Å; I192-F321 HydrophobicContact CG1-CE1 4.42Å; I192-F321 HydrophobicContact CG2-CD1 3.81Å; I192-F321 HydrophobicContact CG2-CE1 3.55Å; I192-F321 CarbonylContact O-C 3.18Å; I192-F321 WeakPolarHBondContact O-CA 3.47Å; T196-F321 HydrophobicContact CG2-CE1 4.02Å; W197-F321 HydrophobicContact CB-CB 4.06Å; W197-F321 HydrophobicContact CB-CD1 3.6Å; W197-F321 HydrophobicContact CB-CE1 4.13Å; W197-F321 HydrophobicContact CB-CG 3.83Å; W197-F321 HydrophobicContact CD2-CB 4.42Å; W197-F321 HydrophobicContact CD2-CD2 4.11Å; W197-F321 HydrophobicContact CD2-CG 4.16Å; W197-F321 HydrophobicContact CE3-CD1 4.38Å; W197-F321 AromaticContact CE3-CD2 3.49Å; W197-F321 HydrophobicContact CE3-CD2 3.49Å; W197-F321 VanDerWaalsContact CE3-CD2 3.49Å; W197-F321 HydrophobicContact CE3-CE1 4.41Å; W197-F321 AromaticContact CE3-CE2 3.54Å; W197-F321 HydrophobicContact CE3-CE2 3.54Å; W197-F321 AromaticContact CE3-CG 3.93Å; W197-F321 HydrophobicContact CE3-CG 3.93Å; W197-F321 HydrophobicContact CE3-CZ 4.02Å; W197-F321 HydrophobicContact CG-CB 4.22Å; W197-F321 HydrophobicContact CG-CD1 4.4Å; W197-F321 HydrophobicContact CG-CG 4.17Å; W197-F321 AromaticContact CZ3-CD2 3.96Å; W197-F321 HydrophobicContact CZ3-CD2 3.96Å; W197-F321 AromaticContact CZ3-CE2 3.89Å; W197-F321 HydrophobicContact CZ3-CE2 3.89Å; P313-F321 CarbonylContact C-O 3.52Å; P313-F321 VanDerWaalsContact C-O 3.29Å; P313-F321 HydrophobicContact CB-CB 4.36Å; W314-F321 WeakPolarHBondContact CA-O 3.45Å; W314-F321 PolarHBondContact N-O 3.4Å; W314-F321 VanDerWaalsContact N-O 3.08Å; S317-F321 PolarHBondContact OG-N 3.02Å; S317-F321 PolarHBondContact OG-O 3.03Å
322S93.9Very high93.3Very high10 Ų1071.6 Ų71.67%0.0733%0.334CS..EExtended strand (participates in β ladder)trans-138.2157.7-178.585.10000112.4I192 H193 D194 Q324 G325I192-S322 PolarHBondContact O-N 3.33Å; H193-S322 CarbonylContact C-O 3.51Å; H193-S322 WeakPolarHBondContact CA-O 3.43Å; D194-S322 PolarHBondContact N-O 3.2Å; S322-Q324 VanDerWaalsContact C-N 3.27Å; S322-Q324 PolarHBondContact OG-N 2.82Å; S322-G325 PolarHBondContact O-N 3.25Å; S322-G325 WeakPolarHBondContact OG-CA 3.42Å; S322-G325 PolarHBondContact OG-N 2.98Å; S322-G325 PolarHBondContact OG-O 2.68Å; S322-G325 VanDerWaalsContact OG-O 3.07Å
323K93.2Very high93.5Very high110 Ų11069.3 Ų69.348%0.47833%0.333SS..SBendtrans-73.9-23.3174.8-67.1-176.8179.5171.80112.2H193 D194 K311 P313H193-K323 PolarHBondContact CD2-O 3.49Å; H193-K323 PolarHBondContact NE2-O 3.06Å; D194-K323 HydrophobicContact CB-CG 4.37Å; K311-K323 PolarHBondContact O-NZ 3.29Å; P313-K323 HydrophobicContact CG-CG 4.11Å
324Q92.8Very high93.7Very high151 Ų15169.4 Ų69.471%0.70633%0.334SS*.SBendtrans-82.2-21.8178.2-6578.68.400111.9F18 S322F18-Q324 WeakPolarHBondContact CE2-O 3.11Å; S322-Q324 VanDerWaalsContact C-N 3.27Å; S322-Q324 PolarHBondContact OG-N 2.82Å
325G93.6Very high94Very high7 Ų763.6 Ų63.67%0.07232%0.319CS..  trans77.2-170.4-17000000113S191 S322S191-G325 PolarHBondContact OG-O 2.84Å; S322-G325 PolarHBondContact O-N 3.25Å; S322-G325 WeakPolarHBondContact OG-CA 3.42Å; S322-G325 PolarHBondContact OG-N 2.98Å; S322-G325 PolarHBondContact OG-O 2.68Å; S322-G325 VanDerWaalsContact OG-O 3.07Å
326P95.4Very high94.3Very high14 Ų1457.2 Ų57.29%0.09129%0.291CS..  trans-72.5155.7172.528.1-33.5000112.9S191 Q330 I331 Y371S191-P326 WeakPolarHBondContact O-CB 3.24Å; S191-P326 WeakPolarHBondContact O-CG 3.48Å; P326-Q330 HydrophobicContact CB-CB 4.15Å; P326-I331 HydrophobicContact CB-CG1 3.97Å; P326-I331 HydrophobicContact CG-CD1 3.99Å; P326-I331 HydrophobicContact CG-CG1 3.75Å; P326-Y371 HydrophobicContact CG-CD2 3.54Å; P326-Y371 HydrophobicContact CG-CE2 3.39Å
327T95.3Very high94.6Very high78 Ų7857 Ų5748%0.47929%0.291SS..  trans-76.6160167.965.30000111.1K329 Q330 I331T327-K329 VanDerWaalsContact C-N 3.28Å; T327-K329 PolarHBondContact O-N 3.37Å; T327-Q330 PolarHBondContact O-N 2.79Å; T327-Q330 VanDerWaalsContact O-N 3.11Å; T327-Q330 WeakPolarHBondContact OG1-CG 3.43Å; T327-Q330 PolarHBondContact OG1-N 2.83Å; T327-Q330 PolarHBondContact OG1-OE1 2.92Å; T327-I331 WeakPolarHBondContact O-CG1 3.21Å; T327-I331 PolarHBondContact O-N 2.96Å
328Q94.6Very high95Very high86 Ų8656.8 Ų56.840%0.40229%0.29SS..Hα-helixtrans-58-40.3176.5-168.56255.200112.1Q330 I331 D332Q328-Q330 VanDerWaalsContact C-N 3.34Å; Q328-Q330 PolarHBondContact O-N 3.04Å; Q328-I331 WeakPolarHBondContact O-CB 3.39Å; Q328-I331 PolarHBondContact O-N 2.84Å; Q328-I331 VanDerWaalsContact O-N 3.14Å; Q328-D332 PolarHBondContact NE2-OD1 2.89Å; Q328-D332 WeakPolarHBondContact O-CB 3.48Å; Q328-D332 PolarHBondContact O-N 2.87Å
329K95.9Very high95.4Very high151 Ų15150.7 Ų50.766%0.65726%0.263SS*.Hα-helixtrans-60.5-40.1175.8-70.2-175.1177.3-177.80113.2T327 I331 A333T327-K329 VanDerWaalsContact C-N 3.28Å; T327-K329 PolarHBondContact O-N 3.37Å; K329-I331 VanDerWaalsContact C-N 3.35Å; K329-A333 VanDerWaalsContact O-CB 3.32Å; K329-A333 WeakPolarHBondContact O-CB 3.18Å; K329-A333 PolarHBondContact O-N 3.5Å; K329-A333 VanDerWaalsContact O-N 3.14Å
330Q96.6Very high95.9Very high31 Ų3149.7 Ų49.715%0.14525%0.253CS..Hα-helixtrans-66.7-39175.8-74.1170-44.900111.2E188 P326 T327 Q328 A334E188-Q330 HydrophobicContact CB-CG 3.7Å; E188-Q330 PolarHBondContact O-NE2 2.81Å; P326-Q330 HydrophobicContact CB-CB 4.15Å; T327-Q330 PolarHBondContact O-N 2.79Å; T327-Q330 VanDerWaalsContact O-N 3.11Å; T327-Q330 WeakPolarHBondContact OG1-CG 3.43Å; T327-Q330 PolarHBondContact OG1-N 2.83Å; T327-Q330 PolarHBondContact OG1-OE1 2.92Å; Q328-Q330 VanDerWaalsContact C-N 3.34Å; Q328-Q330 PolarHBondContact O-N 3.04Å; Q330-A334 WeakPolarHBondContact O-CB 3.47Å; Q330-A334 PolarHBondContact O-N 3.43Å
331I96.8Very high96.3Very high6 Ų645.5 Ų45.53%0.03124%0.237CC..Hα-helixtrans-63.9-51.7175.4-63.9171.4000110.3F22 P326 T327 Q328 K329 A333 A334 E368 Y371 V372F22-I331 HydrophobicContact CE1-CD1 3.99Å; F22-I331 HydrophobicContact CZ-CD1 3.88Å; P326-I331 HydrophobicContact CB-CG1 3.97Å; P326-I331 HydrophobicContact CG-CD1 3.99Å; P326-I331 HydrophobicContact CG-CG1 3.75Å; T327-I331 WeakPolarHBondContact O-CG1 3.21Å; T327-I331 PolarHBondContact O-N 2.96Å; Q328-I331 WeakPolarHBondContact O-CB 3.39Å; Q328-I331 PolarHBondContact O-N 2.84Å; Q328-I331 VanDerWaalsContact O-N 3.14Å; K329-I331 VanDerWaalsContact C-N 3.35Å; I331-A333 VanDerWaalsContact C-N 3.26Å; I331-A333 PolarHBondContact O-N 2.79Å; I331-A334 PolarHBondContact O-N 2.93Å; I331-A334 VanDerWaalsContact O-N 3.16Å; I331-E368 HydrophobicContact CG2-CB 4.08Å; I331-E368 HydrophobicContact CG2-CG 4.36Å; I331-E368 WeakPolarHBondContact O-CB 3.3Å; I331-Y371 HydrophobicContact CD1-CD2 4.45Å; I331-Y371 HydrophobicContact CG1-CD2 4.48Å; I331-V372 HydrophobicContact CG2-CG2 3.48Å; I331-V372 VanDerWaalsContact CG2-CG2 3.48Å
332D96.2Very high96.5Very high114 Ų11444.1 Ų44.161%0.6123%0.232SC*.Hα-helixtrans-63.6-31.3-175-63.2-19.3000112.8Q328Q328-D332 PolarHBondContact NE2-OD1 2.89Å; Q328-D332 WeakPolarHBondContact O-CB 3.48Å; Q328-D332 PolarHBondContact O-N 2.87Å
333A97.3Very high96.6Very high49 Ų4947.3 Ų47.341%0.40525%0.245SC..THydrogen-bonded Turntrans-92.1-2.8-179.200000114G186 K329 I331G186-A333 PolarHBondContact N-O 3.07Å; K329-A333 VanDerWaalsContact O-CB 3.32Å; K329-A333 WeakPolarHBondContact O-CB 3.18Å; K329-A333 PolarHBondContact O-N 3.5Å; K329-A333 VanDerWaalsContact O-N 3.14Å; I331-A333 VanDerWaalsContact C-N 3.26Å; I331-A333 PolarHBondContact O-N 2.79Å
334A97.8Very high96.6Very high8 Ų842 Ų427%0.06622%0.223CC..  trans-99.3148.1-179.300000111.9H184 L190 Q330 I331 E368H184-A334 VanDerWaalsContact O-CA 3.3Å; H184-A334 WeakPolarHBondContact O-CA 3.25Å; L190-A334 HydrophobicContact CD2-CB 3.94Å; Q330-A334 WeakPolarHBondContact O-CB 3.47Å; Q330-A334 PolarHBondContact O-N 3.43Å; I331-A334 PolarHBondContact O-N 2.93Å; I331-A334 VanDerWaalsContact O-N 3.16Å; A334-E368 HydrophobicContact CB-CB 3.93Å; A334-E368 HydrophobicContact CB-CG 3.64Å; A334-E368 PolarHBondContact O-N 3.44Å; A334-E368 VanDerWaalsContact O-N 3.12Å
335S98.4Very high96.7Very high45 Ų4535 Ų3532%0.31519%0.189SC..EExtended strand (participates in β ladder)trans-153.5170.1175.256.50000110.3H184 G366H184-S335 WeakPolarHBondContact CB-OG 3.28Å; H184-S335 PolarHBondContact N-O 2.79Å; H184-S335 PolarHBondContact O-N 3.16Å; S335-G366 WeakPolarHBondContact CA-O 3.44Å; S335-G366 VanDerWaalsContact CB-O 3.24Å; S335-G366 WeakPolarHBondContact CB-O 3.36Å
336F98.4Very high96.6Very high1 Ų135.6 Ų35.60%0.00419%0.193CC..EExtended strand (participates in β ladder)trans-126.8160.4172.575.7-93.8000112.2F154 P158 L181 T182 I183 V364 G366 P367 A369 A373 I419F154-F336 AromaticContact CD2-CD1 3.87Å; F154-F336 HydrophobicContact CD2-CD1 3.87Å; F154-F336 HydrophobicContact CD2-CD2 4.5Å; F154-F336 AromaticContact CD2-CE1 3.8Å; F154-F336 HydrophobicContact CD2-CE1 3.8Å; F154-F336 HydrophobicContact CD2-CE2 4.41Å; F154-F336 HydrophobicContact CD2-CG 4.25Å; F154-F336 HydrophobicContact CD2-CZ 4.07Å; F154-F336 HydrophobicContact CE2-CB 4.09Å; F154-F336 AromaticContact CE2-CD1 3.56Å; F154-F336 HydrophobicContact CE2-CD1 3.56Å; F154-F336 AromaticContact CE2-CD2 3.61Å; F154-F336 HydrophobicContact CE2-CD2 3.61Å; F154-F336 AromaticContact CE2-CE1 3.82Å; F154-F336 HydrophobicContact CE2-CE1 3.82Å; F154-F336 AromaticContact CE2-CE2 3.86Å; F154-F336 HydrophobicContact CE2-CE2 3.86Å; F154-F336 AromaticContact CE2-CG 3.46Å; F154-F336 HydrophobicContact CE2-CG 3.46Å; F154-F336 VanDerWaalsContact CE2-CG 3.46Å; F154-F336 AromaticContact CE2-CZ 3.96Å; F154-F336 HydrophobicContact CE2-CZ 3.96Å; F154-F336 HydrophobicContact CZ-CB 4.43Å; F154-F336 HydrophobicContact CZ-CD2 4.45Å; F154-F336 HydrophobicContact CZ-CG 4.25Å; P158-F336 HydrophobicContact CB-CE2 4.2Å; P158-F336 HydrophobicContact CB-CZ 4.37Å; P158-F336 HydrophobicContact CG-CE2 4.37Å; P158-F336 HydrophobicContact CG-CZ 4.08Å; L181-F336 HydrophobicContact CD1-CB 4.17Å; T182-F336 WeakPolarHBondContact O-CA 3.37Å; I183-F336 HydrophobicContact CD1-CB 3.85Å; F336-V364 HydrophobicContact CE2-CG1 4.07Å; F336-V364 HydrophobicContact CZ-CG1 4.36Å; F336-G366 PolarHBondContact N-O 3.1Å; F336-G366 PolarHBondContact O-N 3.34Å; F336-P367 WeakPolarHBondContact CD1-O 3.2Å; F336-A369 HydrophobicContact CD1-CB 4.35Å; F336-A373 HydrophobicContact CD1-CB 4.45Å; F336-A373 HydrophobicContact CE1-CB 3.7Å; F336-I419 HydrophobicContact CZ-CG2 4.37Å
337T98.5Very high96.1Very high14 Ų1442.2 Ų42.29%0.08622%0.223CC..EExtended strand (participates in β ladder)trans-138.1126.3166.9-58.10000108.6T182 H184 Q363 V364 K365T182-T337 PolarHBondContact N-O 3.29Å; T182-T337 PolarHBondContact O-N 2.99Å; H184-T337 PolarHBondContact NE2-OG1 2.86Å; T337-Q363 HydrophobicContact CG2-CG 3.59Å; T337-V364 CarbonylContact C-O 3.55Å; T337-V364 WeakPolarHBondContact CA-O 3.39Å; T337-K365 HydrophobicContact CG2-CG 3.97Å
338L98.6Very high95.2Very high5 Ų542.6 Ų42.63%0.02624%0.242CC..EExtended strand (participates in β ladder)trans-114.6108.3174.3-171.360.5000108.2P158 A159 F180 L181 F340 Q363 V364P158-L338 HydrophobicContact CB-CD2 4Å; A159-L338 HydrophobicContact CB-CD2 3.95Å; F180-L338 WeakPolarHBondContact O-CA 3.12Å; L181-L338 HydrophobicContact CB-CD1 3.8Å; L181-L338 HydrophobicContact CD1-CD1 4.47Å; L338-F340 HydrophobicContact CB-CE2 4.09Å; L338-F340 HydrophobicContact CB-CZ 4.42Å; L338-F340 HydrophobicContact CD2-CE1 4.27Å; L338-F340 HydrophobicContact CD2-CE2 3.92Å; L338-F340 HydrophobicContact CD2-CZ 3.4Å; L338-F340 HydrophobicContact CG-CE1 4.38Å; L338-F340 HydrophobicContact CG-CE2 3.62Å; L338-F340 HydrophobicContact CG-CZ 3.54Å; L338-F340 WeakPolarHBondContact O-CD2 3.21Å; L338-F340 WeakPolarHBondContact O-CE2 3.28Å; L338-Q363 WeakPolarHBondContact O-CA 3.28Å; L338-V364 HydrophobicContact CB-CB 4.37Å; L338-V364 PolarHBondContact N-O 3.01Å; L338-V364 PolarHBondContact O-N 3.04Å
339T98.7Very high94.3Very high5 Ų541.5 Ų41.53%0.03124%0.239CC..EExtended strand (participates in β ladder)trans-99.2133.2-178.2-580000109.9S179 F180 L241 F341 Q363S179-T339 CarbonylContact C-O 3.26Å; S179-T339 VanDerWaalsContact CA-O 3.26Å; S179-T339 WeakPolarHBondContact CA-O 3.4Å; F180-T339 PolarHBondContact N-O 3.26Å; F180-T339 PolarHBondContact O-N 2.85Å; L241-T339 HydrophobicContact CD2-CG2 4.33Å; T339-F341 HydrophobicContact CG2-CD2 4.47Å; T339-F341 HydrophobicContact CG2-CE1 4.31Å; T339-F341 HydrophobicContact CG2-CE2 3.84Å; T339-F341 HydrophobicContact CG2-CZ 3.75Å; T339-Q363 PolarHBondContact OG1-NE2 3.32Å; T339-Q363 VanDerWaalsContact OG1-NE2 3.1Å
340F98.7Very high93.2Very high0 Ų036.6 Ų36.60%023%0.231CC..EExtended strand (participates in β ladder)trans-114.5124.8-178.7-58.5-100.7000110.1P158 V163 V177 E178 L338 C361 T362 V364P158-F340 WeakPolarHBondContact O-CZ 3.3Å; V163-F340 HydrophobicContact CG2-CD1 4.4Å; V163-F340 HydrophobicContact CG2-CE1 4.24Å; V177-F340 HydrophobicContact CG1-CB 4.04Å; V177-F340 HydrophobicContact CG1-CD1 3.74Å; V177-F340 HydrophobicContact CG1-CG 4.4Å; E178-F340 CarbonylContact O-C 3.58Å; E178-F340 WeakPolarHBondContact O-CA 3.29Å; L338-F340 HydrophobicContact CB-CE2 4.09Å; L338-F340 HydrophobicContact CB-CZ 4.42Å; L338-F340 HydrophobicContact CD2-CE1 4.27Å; L338-F340 HydrophobicContact CD2-CE2 3.92Å; L338-F340 HydrophobicContact CD2-CZ 3.4Å; L338-F340 HydrophobicContact CG-CE1 4.38Å; L338-F340 HydrophobicContact CG-CE2 3.62Å; L338-F340 HydrophobicContact CG-CZ 3.54Å; L338-F340 WeakPolarHBondContact O-CD2 3.21Å; L338-F340 WeakPolarHBondContact O-CE2 3.28Å; F340-C361 VanDerWaalsContact O-CA 3.29Å; F340-C361 WeakPolarHBondContact O-CA 3.43Å; F340-T362 WeakPolarHBondContact CB-OG1 3.46Å; F340-T362 PolarHBondContact N-O 3.12Å; F340-T362 PolarHBondContact O-N 3.46Å; F340-V364 HydrophobicContact CE2-CB 4.28Å; F340-V364 HydrophobicContact CE2-CG2 3.69Å; F340-V364 HydrophobicContact CZ-CG2 4.36Å
341F98Very high92.1Very high40 Ų4036.9 Ų36.918%0.17523%0.234CC..EExtended strand (participates in β ladder)trans-104.4102.4170.9-62-76.4000108.9V177 E178 F180 E240 L241 T339 C361V177-F341 WeakPolarHBondContact CA-O 3.39Å; E178-F341 PolarHBondContact N-O 3.05Å; E178-F341 PolarHBondContact O-N 2.95Å; F180-F341 AromaticContact CD2-CD2 3.58Å; F180-F341 HydrophobicContact CD2-CD2 3.58Å; F180-F341 AromaticContact CD2-CE2 3.7Å; F180-F341 HydrophobicContact CD2-CE2 3.7Å; F180-F341 AromaticContact CE2-CD2 3.57Å; F180-F341 HydrophobicContact CE2-CD2 3.57Å; F180-F341 AromaticContact CE2-CE2 3.96Å; F180-F341 HydrophobicContact CE2-CE2 3.96Å; F180-F341 HydrophobicContact CG-CE2 4.48Å; E240-F341 HydrophobicContact CB-CE1 3.94Å; E240-F341 HydrophobicContact CB-CE2 4.41Å; E240-F341 HydrophobicContact CB-CZ 3.54Å; E240-F341 HydrophobicContact CG-CE1 4.02Å; E240-F341 HydrophobicContact CG-CZ 4.06Å; L241-F341 HydrophobicContact CD1-CE2 4.37Å; L241-F341 HydrophobicContact CD2-CZ 4.4Å; L241-F341 HydrophobicContact CG-CE2 4.36Å; L241-F341 HydrophobicContact CG-CZ 4.39Å; T339-F341 HydrophobicContact CG2-CD2 4.47Å; T339-F341 HydrophobicContact CG2-CE1 4.31Å; T339-F341 HydrophobicContact CG2-CE2 3.84Å; T339-F341 HydrophobicContact CG2-CZ 3.75Å; F341-C361 HydrophobicContact CD1-CB 4.36Å; F341-C361 HydrophobicContact CE1-CB 4.43Å
342G97.2Very high90.6Very high2 Ų243.7 Ų43.72%0.02127%0.271CS..EExtended strand (participates in β ladder)trans-93.4144178.400000112.5A176 K359 I360A176-G342 CarbonylContact O-C 3.29Å; A176-G342 WeakPolarHBondContact O-CA 3.33Å; G342-K359 WeakPolarHBondContact O-CA 3.27Å; G342-I360 PolarHBondContact N-O 3.16Å; G342-I360 PolarHBondContact O-N 3.28Å
343Q95.9Very high89Confident76 Ų7647.6 Ų47.636%0.35528%0.283SS..EExtended strand (participates in β ladder)trans-130.3139.7173.3-62.5179.513.300109.9T175 A176 P356 I358 K359T175-Q343 PolarHBondContact N-O 2.87Å; T175-Q343 PolarHBondContact OG1-O 2.83Å; T175-Q343 VanDerWaalsContact OG1-O 3.1Å; A176-Q343 PolarHBondContact N-O 3.26Å; A176-Q343 VanDerWaalsContact N-O 3.09Å; A176-Q343 PolarHBondContact O-N 3.27Å; Q343-P356 HydrophobicContact CB-CB 4.22Å; Q343-I358 WeakPolarHBondContact CA-O 3.48Å; Q343-K359 HydrophobicContact CG-CG 4.44Å
344G94.9Very high87.7Confident0 Ų049.1 Ų49.10%028%0.284CS..EExtended strand (participates in β ladder)trans-166.9-164.8-176.900000113.6T173 P356 N357 I358T173-G344 CarbonylContact O-C 3.52Å; T173-G344 WeakPolarHBondContact O-CA 3.38Å; G344-P356 CarbonylContact O-C 3.49Å; G344-P356 WeakPolarHBondContact O-CA 3.33Å; G344-P356 VanDerWaalsContact O-CB 3.28Å; G344-P356 WeakPolarHBondContact O-CB 3.42Å; G344-N357 PolarHBondContact O-N 3.31Å; G344-I358 PolarHBondContact N-O 3Å; G344-I358 PolarHBondContact O-N 2.98Å
345Y93.9Very high87.2Confident2 Ų257.6 Ų57.61%0.00832%0.319CS..EExtended strand (participates in β ladder)trans-118.5142.1-175-64-87.8000111G172 T173 T175 P227 L349 T351 N354 P356 N357G172-Y345 CarbonylContact C-O 3.54Å; G172-Y345 VanDerWaalsContact CA-O 3.24Å; G172-Y345 WeakPolarHBondContact CA-O 2.98Å; T173-Y345 PolarHBondContact N-O 3.14Å; T173-Y345 PolarHBondContact O-N 3.31Å; T175-Y345 HydrophobicContact CG2-CD2 3.72Å; T175-Y345 HydrophobicContact CG2-CE2 3.74Å; P227-Y345 VanDerWaalsContact CD-OH 3.25Å; P227-Y345 WeakPolarHBondContact CD-OH 3.25Å; Y345-L349 HydrophobicContact CD1-CD2 3.76Å; Y345-L349 HydrophobicContact CE1-CD2 4.44Å; Y345-T351 HydrophobicContact CD2-CG2 3.79Å; Y345-T351 HydrophobicContact CE2-CG2 4.05Å; Y345-T351 HydrophobicContact CG-CG2 4.32Å; Y345-N354 HydrophobicContact CE1-CB 4.08Å; Y345-N354 WeakPolarHBondContact CE1-O 3.38Å; Y345-N354 PolarHBondContact OH-O 3.15Å; Y345-P356 HydrophobicContact CE2-CG 4.2Å; Y345-N357 VanDerWaalsContact CA-OD1 3.3Å; Y345-N357 WeakPolarHBondContact CA-OD1 3.41Å
346S91.3Very high86.8Confident20 Ų2056.8 Ų56.814%0.1431%0.313CS..EExtended strand (participates in β ladder)trans-61.5155.4169.159.40000111.8G348 L349 N357 I358S346-G348 PolarHBondContact O-N 3.11Å; S346-L349 WeakPolarHBondContact O-CB 3.19Å; S346-L349 PolarHBondContact O-N 3.29Å; S346-N357 PolarHBondContact N-OD1 3.03Å; S346-N357 PolarHBondContact OG-ND2 3.39Å; S346-I358 VanDerWaalsContact CA-CD1 3.43Å
347Q85.7Confident86.5Confident154 Ų15458.2 Ų58.272%0.7232%0.321SS*.THydrogen-bonded Turntrans-56.9133.2-178.8-166.3176.710.600111.1L349Q347-L349 VanDerWaalsContact C-N 3.3Å; Q347-L349 PolarHBondContact O-N 3.31Å
348G76.7Confident86.3Confident86 Ų8657.9 Ų57.989%0.88732%0.319SS*.THydrogen-bonded Turntrans82.5-5.4179.500000115.6S346S346-G348 PolarHBondContact O-N 3.11Å
349L75.8Confident86.1Confident63 Ų6362.7 Ų62.733%0.3334%0.339SS..  trans-85.4127.3174.8-147.1103.1000110.8Y345 S346 Q347 N354Y345-L349 HydrophobicContact CD1-CD2 3.76Å; Y345-L349 HydrophobicContact CE1-CD2 4.44Å; S346-L349 WeakPolarHBondContact O-CB 3.19Å; S346-L349 PolarHBondContact O-N 3.29Å; Q347-L349 VanDerWaalsContact C-N 3.3Å; Q347-L349 PolarHBondContact O-N 3.31Å; L349-N354 HydrophobicContact CD2-CB 3.57Å; L349-N354 VanDerWaalsContact CD2-ND2 3.28Å; L349-N354 WeakPolarHBondContact CD2-ND2 3.38Å
350G71.6Confident86.1Confident48 Ų4862.6 Ų62.650%0.49534%0.339SS..  trans-65.6139.8176.200000112.9
351T73.1Confident86.1Confident36 Ų3663.1 Ų63.122%0.22134%0.342CS..THydrogen-bonded Turntrans-81.7-9.3-175.248.60000114.2I225 Y345I225-T351 HydrophobicContact CG2-CG2 3.65Å; Y345-T351 HydrophobicContact CD2-CG2 3.79Å; Y345-T351 HydrophobicContact CE2-CG2 4.05Å; Y345-T351 HydrophobicContact CG-CG2 4.32Å
352D65.6Low86.1Confident149 Ų14961.3 Ų61.380%0.79733%0.334SS*.THydrogen-bonded Turntrans-87.7-18.3-164.8-67.9-30.9000115.6
353K62.5Low86.2Confident196 Ų19662.3 Ų62.385%0.85234%0.338SS*.THydrogen-bonded Turntrans-137.8-15.4-174.2-63.7-171.9-178.7178.40115.7
354N71.5Confident86.3Confident82 Ų8258.7 Ų58.744%0.43932%0.322SS..SBendtrans-96.4150.4-175-66.3-26.3000111Y345 L349Y345-N354 HydrophobicContact CE1-CB 4.08Å; Y345-N354 WeakPolarHBondContact CE1-O 3.38Å; Y345-N354 PolarHBondContact OH-O 3.15Å; L349-N354 HydrophobicContact CD2-CB 3.57Å; L349-N354 VanDerWaalsContact CD2-ND2 3.28Å; L349-N354 WeakPolarHBondContact CD2-ND2 3.38Å
355K85.9Confident86.5Confident185 Ų18563 Ų6380%0.80434%0.34SS*.PPolyproline II helixtrans-70.7145.8166.4-70.8179.5-179.6172.30108.6N357K355-N357 PolarHBondContact O-N 3.14Å
356P90.6Very high86.7Confident29 Ų2963.4 Ų63.419%0.18835%0.345CS..PPolyproline II helixtrans-52125.3170.4-26.534.8000110.3P227 Q343 G344 Y345P227-P356 HydrophobicContact CG-CG 3.79Å; Q343-P356 HydrophobicContact CB-CB 4.22Å; G344-P356 CarbonylContact O-C 3.49Å; G344-P356 WeakPolarHBondContact O-CA 3.33Å; G344-P356 VanDerWaalsContact O-CB 3.28Å; G344-P356 WeakPolarHBondContact O-CB 3.42Å; Y345-P356 HydrophobicContact CE2-CG 4.2Å
357N91.6Very high87Confident31 Ų3164.3 Ų64.317%0.16635%0.35CS..  trans-110.15.7-177.269.4-35.8000112.4G344 Y345 S346 K355 E428 V429G344-N357 PolarHBondContact O-N 3.31Å; Y345-N357 VanDerWaalsContact CA-OD1 3.3Å; Y345-N357 WeakPolarHBondContact CA-OD1 3.41Å; S346-N357 PolarHBondContact N-OD1 3.03Å; S346-N357 PolarHBondContact OG-ND2 3.39Å; K355-N357 PolarHBondContact O-N 3.14Å; N357-E428 CarbonylContact O-C 3.58Å; N357-E428 WeakPolarHBondContact O-CA 3.4Å; N357-V429 PolarHBondContact O-N 3.42Å
358I94.1Very high87.6Confident7 Ų757.9 Ų57.94%0.03632%0.321CS..EExtended strand (participates in β ladder)trans-120.1135.3170.6-59-171.1000109.5M170 N171 Q343 G344 S346 E428M170-I358 HydrophobicContact CE-CB 4.33Å; M170-I358 HydrophobicContact CE-CG2 3.8Å; M170-I358 HydrophobicContact CG-CG2 4.16Å; M170-I358 HydrophobicContact SD-CB 4.46Å; M170-I358 HydrophobicContact SD-CG2 4.23Å; N171-I358 WeakPolarHBondContact O-CD1 3.26Å; Q343-I358 WeakPolarHBondContact CA-O 3.48Å; G344-I358 PolarHBondContact N-O 3Å; G344-I358 PolarHBondContact O-N 2.98Å; S346-I358 VanDerWaalsContact CA-CD1 3.43Å; I358-E428 HydrophobicContact CG1-CG 4.29Å
359K95.9Very high88.6Confident105 Ų10554.5 Ų54.546%0.45728%0.284SS..EExtended strand (participates in β ladder)trans-118.4134.7164.2-67.2-178.6-170.8166.70109.6G342 Q343 S426 S427 V429G342-K359 WeakPolarHBondContact O-CA 3.27Å; Q343-K359 HydrophobicContact CG-CG 4.44Å; K359-S426 WeakPolarHBondContact O-CA 3.46Å; K359-S427 PolarHBondContact N-O 3.38Å; K359-S427 PolarHBondContact O-N 3.12Å; K359-V429 HydrophobicContact CB-CG2 4.16Å; K359-V429 HydrophobicContact CD-CG2 3.79Å; K359-V429 HydrophobicContact CG-CG2 3.77Å
360I97.7Very high89.5Confident4 Ų452.4 Ų52.42%0.02128%0.278CS..EExtended strand (participates in β ladder)trans-127139.7172.6-168173.3000109.1T166 K169 M170 L174 G342 T362 V423 S425T166-I360 HydrophobicContact CG2-CG2 3.51Å; K169-I360 HydrophobicContact CB-CD1 3.87Å; M170-I360 HydrophobicContact CB-CD1 4.4Å; M170-I360 HydrophobicContact CE-CB 4.04Å; M170-I360 HydrophobicContact CE-CG2 3.43Å; M170-I360 VanDerWaalsContact CE-CG2 3.43Å; L174-I360 HydrophobicContact CD1-CG2 4.49Å; G342-I360 PolarHBondContact N-O 3.16Å; G342-I360 PolarHBondContact O-N 3.28Å; I360-T362 HydrophobicContact CD1-CG2 3.9Å; I360-T362 HydrophobicContact CG1-CG2 3.97Å; I360-V423 HydrophobicContact CG1-CG1 4.43Å; I360-S425 CarbonylContact C-O 3.52Å; I360-S425 WeakPolarHBondContact CA-O 3.2Å; I360-S425 WeakPolarHBondContact CG1-O 3.38Å
361C98.4Very high90.7Very high11 Ų1150.5 Ų50.57%0.07426%0.256CS..EExtended strand (participates in β ladder)trans-115.4118.2169.1-173.30000108F340 F341 I424 S425F340-C361 VanDerWaalsContact O-CA 3.29Å; F340-C361 WeakPolarHBondContact O-CA 3.43Å; F341-C361 HydrophobicContact CD1-CB 4.36Å; F341-C361 HydrophobicContact CE1-CB 4.43Å; C361-I424 HydrophobicContact CB-CB 4.18Å; C361-I424 PolarHBondContact O-N 3.5Å; C361-S425 VanDerWaalsContact CB-OG 3.3Å; C361-S425 WeakPolarHBondContact CB-OG 3.39Å; C361-S425 PolarHBondContact N-O 3.38Å; C361-S425 PolarHBondContact O-N 3.09Å; C361-S425 VanDerWaalsContact O-N 3.16Å
362T98.8Very high91.9Very high1 Ų151 Ų511%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-119.3165.5171.268.60000109.5Y165 T166 F340 I360 S422 V423Y165-T362 HydrophobicContact CD1-CG2 4.13Å; Y165-T362 HydrophobicContact CE1-CG2 4.15Å; T166-T362 HydrophobicContact CG2-CG2 4.14Å; T166-T362 PolarHBondContact OG1-OG1 3.36Å; F340-T362 WeakPolarHBondContact CB-OG1 3.46Å; F340-T362 PolarHBondContact N-O 3.12Å; F340-T362 PolarHBondContact O-N 3.46Å; I360-T362 HydrophobicContact CD1-CG2 3.9Å; I360-T362 HydrophobicContact CG1-CG2 3.97Å; T362-S422 CarbonylContact C-O 3.3Å; T362-S422 VanDerWaalsContact CA-O 3.22Å; T362-S422 WeakPolarHBondContact CA-O 3.25Å; T362-S422 WeakPolarHBondContact CB-O 3.29Å; T362-V423 HydrophobicContact CG2-CG2 4.3Å
363Q98.6Very high93.5Very high23 Ų2343.9 Ų43.911%0.10722%0.221CC..EExtended strand (participates in β ladder)trans-145.4139-176.3-173.4168.483.200111T337 L338 T339 K365 F421 S422 I424T337-Q363 HydrophobicContact CG2-CG 3.59Å; L338-Q363 WeakPolarHBondContact O-CA 3.28Å; T339-Q363 PolarHBondContact OG1-NE2 3.32Å; T339-Q363 VanDerWaalsContact OG1-NE2 3.1Å; Q363-K365 HydrophobicContact CG-CD 4.48Å; Q363-K365 HydrophobicContact CG-CG 4.13Å; Q363-F421 WeakPolarHBondContact O-CA 3.26Å; Q363-S422 PolarHBondContact N-O 3Å; Q363-S422 PolarHBondContact O-N 3.42Å; Q363-S422 PolarHBondContact O-OG 3.07Å; Q363-I424 HydrophobicContact CB-CD1 3.9Å; Q363-I424 HydrophobicContact CB-CG1 3.7Å
364V98.8Very high95.2Very high1 Ų135.1 Ų35.11%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-110.8122.2166.7-174.20000108.5P158 F336 T337 L338 F340 I419 E420 F421P158-V364 HydrophobicContact CB-CG1 4.06Å; F336-V364 HydrophobicContact CE2-CG1 4.07Å; F336-V364 HydrophobicContact CZ-CG1 4.36Å; T337-V364 CarbonylContact C-O 3.55Å; T337-V364 WeakPolarHBondContact CA-O 3.39Å; L338-V364 HydrophobicContact CB-CB 4.37Å; L338-V364 PolarHBondContact N-O 3.01Å; L338-V364 PolarHBondContact O-N 3.04Å; F340-V364 HydrophobicContact CE2-CB 4.28Å; F340-V364 HydrophobicContact CE2-CG2 3.69Å; F340-V364 HydrophobicContact CZ-CG2 4.36Å; V364-I419 HydrophobicContact CG1-CG2 3.83Å; V364-E420 CarbonylContact C-O 3.54Å; V364-E420 WeakPolarHBondContact CA-O 2.93Å; V364-F421 HydrophobicContact CG1-CD2 4.4Å; V364-F421 HydrophobicContact CG1-CE1 4.29Å; V364-F421 HydrophobicContact CG1-CE2 4.13Å; V364-F421 HydrophobicContact CG1-CZ 4.06Å; V364-F421 HydrophobicContact CG2-CD1 3.36Å; V364-F421 HydrophobicContact CG2-CE1 3.38Å; V364-F421 HydrophobicContact CG2-CG 3.95Å; V364-F421 HydrophobicContact CG2-CZ 4.01Å
365K98.6Very high96.5Very high89 Ų8931.3 Ų31.339%0.38716%0.163SC..EExtended strand (participates in β ladder)trans-116.8150.8175.5-83.2167.7163.7155.70109.6T337 Q363 I419 E420T337-K365 HydrophobicContact CG2-CG 3.97Å; Q363-K365 HydrophobicContact CG-CD 4.48Å; Q363-K365 HydrophobicContact CG-CG 4.13Å; K365-I419 CarbonylContact O-C 3.48Å; K365-I419 WeakPolarHBondContact O-CA 3.41Å; K365-E420 PolarHBondContact N-O 3.23Å; K365-E420 PolarHBondContact O-N 3.25Å
366G98.4Very high97.1Very high11 Ų1123 Ų2311%0.11313%0.128CC..EExtended strand (participates in β ladder)trans-167.1176.5173.700000112.9S335 F336 G418S335-G366 WeakPolarHBondContact CA-O 3.44Å; S335-G366 VanDerWaalsContact CB-O 3.24Å; S335-G366 WeakPolarHBondContact CB-O 3.36Å; F336-G366 PolarHBondContact N-O 3.1Å; F336-G366 PolarHBondContact O-N 3.34Å; G366-G418 WeakPolarHBondContact CA-O 3.46Å
367P98.3Very high97.5Very high39 Ų3921.7 Ų21.725%0.25312%0.119SC..EExtended strand (participates in β ladder)trans-68.5-168.3177.233-38000110.5F336 A369 V372 A373 I376 G418F336-P367 WeakPolarHBondContact CD1-O 3.2Å; P367-A369 PolarHBondContact O-N 3.27Å; P367-V372 HydrophobicContact CB-CB 4Å; P367-V372 HydrophobicContact CB-CG1 3.69Å; P367-V372 HydrophobicContact CG-CB 3.9Å; P367-V372 HydrophobicContact CG-CG1 3.43Å; P367-V372 VanDerWaalsContact CG-CG1 3.43Å; P367-A373 HydrophobicContact CG-CB 4.3Å; P367-I376 HydrophobicContact CG-CD1 4.26Å; P367-G418 VanDerWaalsContact CD-O 3.25Å; P367-G418 WeakPolarHBondContact CD-O 3.4Å
368E97.9Very high97.9Very high20 Ų2020.2 Ų20.29%0.09311%0.111CC..  trans-50.1133.4177.6-168.6-75.2140.600112.4I331 A334 G370 Y371 V372 A373I331-E368 HydrophobicContact CG2-CB 4.08Å; I331-E368 HydrophobicContact CG2-CG 4.36Å; I331-E368 WeakPolarHBondContact O-CB 3.3Å; A334-E368 HydrophobicContact CB-CB 3.93Å; A334-E368 HydrophobicContact CB-CG 3.64Å; A334-E368 PolarHBondContact O-N 3.44Å; A334-E368 VanDerWaalsContact O-N 3.12Å; E368-G370 PolarHBondContact OE1-N 3.47Å; E368-G370 PolarHBondContact OE2-N 3.02Å; E368-G370 VanDerWaalsContact OE2-N 3.09Å; E368-Y371 WeakPolarHBondContact OE2-CA 3.46Å; E368-Y371 WeakPolarHBondContact OE2-CD2 3.43Å; E368-Y371 PolarHBondContact OE2-N 3.17Å; E368-V372 HydrophobicContact CB-CG2 4.21Å; E368-V372 PolarHBondContact O-N 3.42Å; E368-A373 WeakPolarHBondContact O-CB 3.49Å; E368-A373 PolarHBondContact O-N 3.16Å
369A97.1Very high98.1Very high14 Ų1419.9 Ų19.912%0.11611%0.109CC..Iπ-helixtrans-66.6-44.7-166.300000114.2F154 F336 P367 T374F154-A369 HydrophobicContact CB-CB 4.35Å; F154-A369 WeakPolarHBondContact CB-O 3.48Å; F154-A369 HydrophobicContact CD1-CB 3.71Å; F154-A369 HydrophobicContact CD2-CB 3.7Å; F154-A369 HydrophobicContact CE1-CB 3.85Å; F154-A369 HydrophobicContact CE2-CB 3.87Å; F154-A369 HydrophobicContact CG-CB 3.62Å; F154-A369 HydrophobicContact CZ-CB 3.93Å; F336-A369 HydrophobicContact CD1-CB 4.35Å; P367-A369 PolarHBondContact O-N 3.27Å; A369-T374 WeakPolarHBondContact O-CB 3.33Å; A369-T374 PolarHBondContact O-N 3.39Å; A369-T374 VanDerWaalsContact O-N 3.13Å; A369-T374 PolarHBondContact O-OG1 2.97Å
370G95.3Very high98.2Very high20 Ų2014.9 Ų14.921%0.2069%0.088CC..Iπ-helixtrans-85.7-32.4-166.600000115.7E368 T374E368-G370 PolarHBondContact OE1-N 3.47Å; E368-G370 PolarHBondContact OE2-N 3.02Å; E368-G370 VanDerWaalsContact OE2-N 3.09Å; G370-T374 VanDerWaalsContact O-CB 3.32Å; G370-T374 WeakPolarHBondContact O-CB 3.32Å
371Y97.1Very high98.2Very high7 Ų714.7 Ų14.73%0.0279%0.087CC..Iπ-helixtrans-131.5-2.9-165.6-47.1-65.6000113.5F18 F22 I192 H193 P326 I331 E368 P375F18-Y371 AromaticContact CD1-CD1 3.77Å; F18-Y371 HydrophobicContact CD1-CD1 3.77Å; F18-Y371 AromaticContact CD1-CE1 3.33Å; F18-Y371 HydrophobicContact CD1-CE1 3.33Å; F18-Y371 AromaticContact CD1-CZ 3.97Å; F18-Y371 AromaticContact CE1-CD1 3.53Å; F18-Y371 HydrophobicContact CE1-CD1 3.53Å; F18-Y371 HydrophobicContact CE1-CD2 4.34Å; F18-Y371 AromaticContact CE1-CE1 3.27Å; F18-Y371 HydrophobicContact CE1-CE1 3.27Å; F18-Y371 HydrophobicContact CE1-CE2 4.13Å; F18-Y371 HydrophobicContact CE1-CG 4.07Å; F18-Y371 AromaticContact CE1-CZ 3.59Å; F22-Y371 WeakPolarHBondContact CD1-O 3.49Å; F22-Y371 AromaticContact CD2-CD1 3.99Å; F22-Y371 HydrophobicContact CD2-CD1 3.99Å; F22-Y371 HydrophobicContact CD2-CG 4.32Å; F22-Y371 AromaticContact CE2-CD1 3.95Å; F22-Y371 HydrophobicContact CE2-CD1 3.95Å; F22-Y371 HydrophobicContact CE2-CG 4.09Å; F22-Y371 WeakPolarHBondContact CG-O 3.35Å; F22-Y371 HydrophobicContact CZ-CG 4.32Å; I192-Y371 WeakPolarHBondContact CG2-OH 3.2Å; H193-Y371 HydrophobicContact CB-CE1 4.41Å; H193-Y371 WeakPolarHBondContact CB-OH 3.3Å; H193-Y371 PolarHBondContact N-OH 2.89Å; P326-Y371 HydrophobicContact CG-CD2 3.54Å; P326-Y371 HydrophobicContact CG-CE2 3.39Å; I331-Y371 HydrophobicContact CD1-CD2 4.45Å; I331-Y371 HydrophobicContact CG1-CD2 4.48Å; E368-Y371 WeakPolarHBondContact OE2-CA 3.46Å; E368-Y371 WeakPolarHBondContact OE2-CD2 3.43Å; E368-Y371 PolarHBondContact OE2-N 3.17Å; Y371-P375 WeakPolarHBondContact O-CG 3.45Å
372V98.1Very high98.2Very high47 Ų4714.1 Ų14.129%0.2858%0.083SC..Iπ-helixtrans-117.3-61.6167.1-170.40000109.8I331 P367 E368 T374 P375 I376I331-V372 HydrophobicContact CG2-CG2 3.48Å; I331-V372 VanDerWaalsContact CG2-CG2 3.48Å; P367-V372 HydrophobicContact CB-CB 4Å; P367-V372 HydrophobicContact CB-CG1 3.69Å; P367-V372 HydrophobicContact CG-CB 3.9Å; P367-V372 HydrophobicContact CG-CG1 3.43Å; P367-V372 VanDerWaalsContact CG-CG1 3.43Å; E368-V372 HydrophobicContact CB-CG2 4.21Å; E368-V372 PolarHBondContact O-N 3.42Å; V372-T374 PolarHBondContact O-N 3.04Å; V372-P375 WeakPolarHBondContact O-CD 3.31Å; V372-I376 HydrophobicContact CG1-CD1 3.8Å; V372-I376 WeakPolarHBondContact O-CD1 3.25Å; V372-I376 VanDerWaalsContact O-CG1 3.28Å; V372-I376 WeakPolarHBondContact O-CG1 3.48Å; V372-I376 PolarHBondContact O-N 2.94Å; V372-I376 VanDerWaalsContact O-N 3.12Å
373A98.6Very high98.1Very high0 Ų014.1 Ų14.10%08%0.083CC..Iπ-helixtrans-66.2-36.3-17700000113.3F336 P367 E368 I376 A377 I419F336-A373 HydrophobicContact CD1-CB 4.45Å; F336-A373 HydrophobicContact CE1-CB 3.7Å; P367-A373 HydrophobicContact CG-CB 4.3Å; E368-A373 WeakPolarHBondContact O-CB 3.49Å; E368-A373 PolarHBondContact O-N 3.16Å; A373-I376 PolarHBondContact O-N 3.35Å; A373-A377 WeakPolarHBondContact O-CB 3.48Å; A373-A377 PolarHBondContact O-N 3.46Å; A373-I419 HydrophobicContact CB-CD1 3.97Å; A373-I419 HydrophobicContact CB-CG1 4.36Å; A373-I419 WeakPolarHBondContact O-CD1 3.48Å
374T98.6Very high98Very high12 Ų1213 Ų137%0.0748%0.078CC..Hα-helixtrans-64.7-51177.4-71.10000112.7T19 I123 F154 A369 G370 V372 I376 A377 M378T19-T374 HydrophobicContact CG2-CG2 4.32Å; I123-T374 HydrophobicContact CB-CG2 4.11Å; I123-T374 HydrophobicContact CD1-CG2 3.84Å; I123-T374 HydrophobicContact CG2-CG2 3.84Å; F154-T374 WeakPolarHBondContact CB-OG1 3.07Å; F154-T374 PolarHBondContact N-OG1 2.97Å; A369-T374 WeakPolarHBondContact O-CB 3.33Å; A369-T374 PolarHBondContact O-N 3.39Å; A369-T374 VanDerWaalsContact O-N 3.13Å; A369-T374 PolarHBondContact O-OG1 2.97Å; G370-T374 VanDerWaalsContact O-CB 3.32Å; G370-T374 WeakPolarHBondContact O-CB 3.32Å; V372-T374 PolarHBondContact O-N 3.04Å; T374-I376 PolarHBondContact O-N 2.95Å; T374-A377 PolarHBondContact O-N 2.85Å; T374-M378 WeakPolarHBondContact O-CB 3.2Å; T374-M378 PolarHBondContact O-N 3.24Å
375P98.6Very high97.9Very high2 Ų213.6 Ų13.61%0.0138%0.081CC..Hα-helixtrans-53.7-48.3170.4-29.534.8000113.8F22 V23 E26 Y371 V372 A377 M378 V379F22-P375 HydrophobicContact CB-CB 4.4Å; F22-P375 HydrophobicContact CB-CG 3.52Å; V23-P375 HydrophobicContact CG2-CB 4.23Å; V23-P375 HydrophobicContact CG2-CG 4.27Å; E26-P375 HydrophobicContact CB-CB 3.82Å; E26-P375 HydrophobicContact CG-CB 4.21Å; Y371-P375 WeakPolarHBondContact O-CG 3.45Å; V372-P375 WeakPolarHBondContact O-CD 3.31Å; P375-A377 PolarHBondContact O-N 3.03Å; P375-M378 PolarHBondContact O-N 3.33Å; P375-V379 WeakPolarHBondContact O-CB 3.31Å; P375-V379 WeakPolarHBondContact O-CG2 3.41Å; P375-V379 PolarHBondContact O-N 3.03Å
376I98.6Very high97.7Very high11 Ų1111.3 Ų11.36%0.0567%0.073CC..Hα-helixtrans-56-53.2177.4-69.5161.3000109.6E26 P367 V372 A373 T374 M378 V379 Q380 L414 H417 I419E26-I376 HydrophobicContact CG-CG1 4.36Å; P367-I376 HydrophobicContact CG-CD1 4.26Å; V372-I376 HydrophobicContact CG1-CD1 3.8Å; V372-I376 WeakPolarHBondContact O-CD1 3.25Å; V372-I376 VanDerWaalsContact O-CG1 3.28Å; V372-I376 WeakPolarHBondContact O-CG1 3.48Å; V372-I376 PolarHBondContact O-N 2.94Å; V372-I376 VanDerWaalsContact O-N 3.12Å; A373-I376 PolarHBondContact O-N 3.35Å; T374-I376 PolarHBondContact O-N 2.95Å; I376-M378 VanDerWaalsContact C-N 3.32Å; I376-M378 PolarHBondContact O-N 2.82Å; I376-V379 PolarHBondContact O-N 2.82Å; I376-Q380 HydrophobicContact CG2-CG 4.09Å; I376-Q380 VanDerWaalsContact O-CB 3.31Å; I376-Q380 WeakPolarHBondContact O-CB 3.37Å; I376-Q380 WeakPolarHBondContact O-CG 3.36Å; I376-Q380 PolarHBondContact O-N 2.82Å; I376-L414 HydrophobicContact CG2-CD2 4.4Å; I376-H417 WeakPolarHBondContact CD1-O 3.25Å; I376-H417 HydrophobicContact CG2-CB 3.56Å; I376-I419 HydrophobicContact CB-CD1 4.08Å; I376-I419 HydrophobicContact CG2-CD1 3.74Å; I376-I419 HydrophobicContact CG2-CG1 4.25Å
377A98.8Very high97.5Very high0 Ų014.5 Ų14.50%09%0.087CC..Hα-helixtrans-58.5-42.9-17800000112.5S152 I157 A373 T374 P375 A381 L414 I419S152-A377 CarbonylContact O-C 3.6Å; I157-A377 HydrophobicContact CB-CB 4.23Å; I157-A377 HydrophobicContact CD1-CB 3.84Å; I157-A377 HydrophobicContact CG2-CB 4.17Å; A373-A377 WeakPolarHBondContact O-CB 3.48Å; A373-A377 PolarHBondContact O-N 3.46Å; T374-A377 PolarHBondContact O-N 2.85Å; P375-A377 PolarHBondContact O-N 3.03Å; A377-A381 VanDerWaalsContact O-CB 3.25Å; A377-A381 WeakPolarHBondContact O-CB 3.22Å; A377-A381 PolarHBondContact O-N 2.88Å; A377-L414 HydrophobicContact CB-CD2 4.33Å; A377-I419 HydrophobicContact CB-CD1 4.26Å
378M98.8Very high97.3Very high0 Ų013.4 Ų13.40%08%0.079CC..Hα-helixtrans-67.8-46.7-179.8-169.4-173.4-163.700112.3V23 L96 I121 I123 S152 T374 P375 I376 A381 A382V23-M378 HydrophobicContact CG1-SD 3.97Å; V23-M378 HydrophobicContact CG2-SD 3.95Å; L96-M378 HydrophobicContact CB-CE 3.55Å; L96-M378 HydrophobicContact CB-SD 4.19Å; L96-M378 HydrophobicContact CD2-CE 4.28Å; L96-M378 HydrophobicContact CG-CE 4.43Å; I121-M378 HydrophobicContact CG2-CE 4.29Å; I121-M378 HydrophobicContact CG2-CG 4.03Å; I121-M378 WeakPolarHBondContact O-CE 3.49Å; I123-M378 HydrophobicContact CG2-CB 3.89Å; I123-M378 HydrophobicContact CG2-CE 4.19Å; I123-M378 HydrophobicContact CG2-CG 3.84Å; I123-M378 HydrophobicContact CG2-SD 3.59Å; I123-M378 VanDerWaalsContact CG2-SD 3.59Å; S152-M378 WeakPolarHBondContact O-CA 3.43Å; S152-M378 WeakPolarHBondContact O-CB 3.07Å; S152-M378 PolarHBondContact O-N 3.24Å; S152-M378 VanDerWaalsContact O-N 3.1Å; T374-M378 WeakPolarHBondContact O-CB 3.2Å; T374-M378 PolarHBondContact O-N 3.24Å; P375-M378 PolarHBondContact O-N 3.33Å; I376-M378 VanDerWaalsContact C-N 3.32Å; I376-M378 PolarHBondContact O-N 2.82Å; M378-A381 PolarHBondContact O-N 3.08Å; M378-A382 PolarHBondContact O-N 2.93Å
379V98.5Very high96.9Very high0 Ų015.6 Ų15.60%010%0.1CC..Hα-helixtrans-66.7-45.81801740000109.8V23 E26 V27 E30 P375 I376 A381 A382 M383V23-V379 HydrophobicContact CG1-CG2 4.34Å; E26-V379 HydrophobicContact CB-CG2 3.96Å; E26-V379 HydrophobicContact CG-CB 3.97Å; E26-V379 HydrophobicContact CG-CG1 4.38Å; E26-V379 HydrophobicContact CG-CG2 3.79Å; V27-V379 HydrophobicContact CG2-CG1 4.37Å; V27-V379 HydrophobicContact CG2-CG2 3.58Å; E30-V379 HydrophobicContact CB-CG1 4.04Å; E30-V379 HydrophobicContact CG-CG1 4.17Å; P375-V379 WeakPolarHBondContact O-CB 3.31Å; P375-V379 WeakPolarHBondContact O-CG2 3.41Å; P375-V379 PolarHBondContact O-N 3.03Å; I376-V379 PolarHBondContact O-N 2.82Å; V379-A381 VanDerWaalsContact C-N 3.31Å; V379-A381 PolarHBondContact O-N 3.28Å; V379-A382 WeakPolarHBondContact O-CB 3.17Å; V379-A382 PolarHBondContact O-N 3.47Å; V379-M383 HydrophobicContact CG1-CG 4.28Å; V379-M383 VanDerWaalsContact O-CG 3.28Å; V379-M383 WeakPolarHBondContact O-CG 3.45Å; V379-M383 PolarHBondContact O-N 2.78Å
380Q98.3Very high96.8Very high0 Ų020 Ų200%013%0.131CC..Hα-helixtrans-64.8-34178.5-62.9-48.4-43.100112.6E30 I376 M383 T384 L410 R413 L414 H417E30-Q380 PolarHBondContact OE2-NE2 2.59Å; I376-Q380 HydrophobicContact CG2-CG 4.09Å; I376-Q380 VanDerWaalsContact O-CB 3.31Å; I376-Q380 WeakPolarHBondContact O-CB 3.37Å; I376-Q380 WeakPolarHBondContact O-CG 3.36Å; I376-Q380 PolarHBondContact O-N 2.82Å; Q380-M383 PolarHBondContact O-N 2.85Å; Q380-T384 WeakPolarHBondContact O-CB 3.49Å; Q380-T384 PolarHBondContact O-N 3.01Å; Q380-T384 PolarHBondContact O-OG1 2.87Å; Q380-L410 HydrophobicContact CB-CD1 3.9Å; Q380-R413 HydrophobicContact CB-CB 4.43Å; Q380-L414 HydrophobicContact CB-CD2 4.1Å; Q380-L414 HydrophobicContact CG-CD2 4.45Å; Q380-H417 HydrophobicContact CG-CB 4.45Å; Q380-H417 PolarHBondContact NE2-CD2 3.47Å; Q380-H417 PolarHBondContact NE2-NE2 3.45Å
381A98.6Very high96.9Very high0 Ų022.3 Ų22.30%014%0.138CC..Hα-helixtrans-62.5-43.3170.300000112.1I121 I157 A377 M378 V379 T384 L385 F405 L410I121-A381 HydrophobicContact CD1-CB 4.35Å; I157-A381 HydrophobicContact CD1-CB 4.14Å; A377-A381 VanDerWaalsContact O-CB 3.25Å; A377-A381 WeakPolarHBondContact O-CB 3.22Å; A377-A381 PolarHBondContact O-N 2.88Å; M378-A381 PolarHBondContact O-N 3.08Å; V379-A381 VanDerWaalsContact C-N 3.31Å; V379-A381 PolarHBondContact O-N 3.28Å; A381-T384 PolarHBondContact O-N 3.21Å; A381-L385 PolarHBondContact O-N 3.28Å; A381-F405 HydrophobicContact CB-CE2 3.75Å; A381-F405 HydrophobicContact CB-CZ 3.99Å; A381-F405 WeakPolarHBondContact O-CZ 3.35Å; A381-L410 HydrophobicContact CB-CD2 4.35Å
382A98.1Very high96.9Very high0 Ų022.7 Ų22.70%014%0.14CC..Hα-helixtrans-64.2-42.2176.500000112.5L10 L96 I121 M378 V379 T384 L385 L386L10-A382 HydrophobicContact CD2-CB 3.88Å; L96-A382 HydrophobicContact CD1-CB 4.45Å; L96-A382 HydrophobicContact CD2-CB 3.59Å; I121-A382 VanDerWaalsContact CD1-CA 3.5Å; I121-A382 HydrophobicContact CD1-CB 3.89Å; M378-A382 PolarHBondContact O-N 2.93Å; V379-A382 WeakPolarHBondContact O-CB 3.17Å; V379-A382 PolarHBondContact O-N 3.47Å; A382-T384 VanDerWaalsContact C-N 3.32Å; A382-T384 PolarHBondContact O-N 3.4Å; A382-L385 WeakPolarHBondContact O-CB 3.24Å; A382-L385 PolarHBondContact O-N 3.49Å; A382-L386 WeakPolarHBondContact O-CG 3.41Å; A382-L386 PolarHBondContact O-N 3.23Å
383M96.2Very high96.8Very high0 Ų020.9 Ų20.90%013%0.13CC..Hα-helixtrans-65.9-37.3176-62.4-53.1-75.300111.6L10 E30 L40 V379 Q380 L386 N387 R413L10-M383 HydrophobicContact CD1-SD 4.1Å; E30-M383 HydrophobicContact CG-CE 3.84Å; E30-M383 HydrophobicContact CG-CG 3.9Å; E30-M383 HydrophobicContact CG-SD 4.02Å; E30-M383 WeakPolarHBondContact OE1-CE 3.36Å; L40-M383 HydrophobicContact CD1-CE 3.62Å; L40-M383 HydrophobicContact CD1-SD 3.73Å; V379-M383 HydrophobicContact CG1-CG 4.28Å; V379-M383 VanDerWaalsContact O-CG 3.28Å; V379-M383 WeakPolarHBondContact O-CG 3.45Å; V379-M383 PolarHBondContact O-N 2.78Å; Q380-M383 PolarHBondContact O-N 2.85Å; M383-L386 PolarHBondContact O-N 3.46Å; M383-N387 WeakPolarHBondContact O-CB 3.37Å; M383-N387 VanDerWaalsContact O-CG 3.31Å; M383-N387 PolarHBondContact O-N 3.47Å; M383-N387 PolarHBondContact O-ND2 2.76Å; M383-R413 VanDerWaalsContact CB-CZ 3.5Å
384T97.1Very high96.5Very high0 Ų031.6 Ų31.60%018%0.176CC..Hα-helixtrans-63.8-46.2174.1-560000110.6Q380 A381 A382 L386 N387 D388 F405 T408 L410 R413Q380-T384 WeakPolarHBondContact O-CB 3.49Å; Q380-T384 PolarHBondContact O-N 3.01Å; Q380-T384 PolarHBondContact O-OG1 2.87Å; A381-T384 PolarHBondContact O-N 3.21Å; A382-T384 VanDerWaalsContact C-N 3.32Å; A382-T384 PolarHBondContact O-N 3.4Å; T384-L386 PolarHBondContact O-N 2.96Å; T384-N387 PolarHBondContact O-N 3.42Å; T384-D388 HydrophobicContact CG2-CB 4.06Å; T384-D388 WeakPolarHBondContact O-CB 3.48Å; T384-D388 PolarHBondContact O-N 3.29Å; T384-F405 HydrophobicContact CG2-CD1 3.63Å; T384-F405 HydrophobicContact CG2-CE1 3.91Å; T384-T408 VanDerWaalsContact CG2-CB 3.45Å; T384-T408 HydrophobicContact CG2-CG2 3.98Å; T384-T408 VanDerWaalsContact CG2-OG1 3.27Å; T384-T408 WeakPolarHBondContact CG2-OG1 3.37Å; T384-L410 HydrophobicContact CG2-CB 4.04Å; T384-L410 WeakPolarHBondContact OG1-CD1 3.42Å; T384-R413 WeakPolarHBondContact OG1-CD 3.13Å
385L97.2Very high96.3Very high13 Ų1333.4 Ų33.47%0.06819%0.193CC..Hα-helixtrans-55.9-40.5176.6-170.298.1000112.2V94 Y147 I149 A381 A382 L392 F405V94-L385 HydrophobicContact CG1-CD2 4.24Å; V94-L385 HydrophobicContact CG2-CD2 3.48Å; V94-L385 VanDerWaalsContact CG2-CD2 3.48Å; Y147-L385 HydrophobicContact CD1-CD1 4.47Å; Y147-L385 HydrophobicContact CD2-CD1 4.05Å; Y147-L385 HydrophobicContact CG-CD1 3.81Å; I149-L385 HydrophobicContact CD1-CD1 3.57Å; A381-L385 PolarHBondContact O-N 3.28Å; A382-L385 WeakPolarHBondContact O-CB 3.24Å; A382-L385 PolarHBondContact O-N 3.49Å; L385-L392 HydrophobicContact CD1-CD1 3.82Å; L385-L392 HydrophobicContact CD1-CD2 4.43Å; L385-L392 HydrophobicContact CG-CD1 4.12Å; L385-F405 HydrophobicContact CB-CE1 4.32Å; L385-F405 HydrophobicContact CB-CZ 4.48Å
386L94.4Very high96.2Very high42 Ų4233.5 Ų33.522%0.2219%0.194CC..Hα-helixtrans-76.3-33.7-178.4-71.7174.4000113.8H9 L10 L40 T93 V94 A382 M383 T384H9-L386 HydrophobicContact CB-CD1 4.15Å; L10-L386 HydrophobicContact CD2-CD1 3.73Å; L10-L386 HydrophobicContact CG-CD1 4.13Å; L40-L386 HydrophobicContact CD1-CD1 3.83Å; T93-L386 HydrophobicContact CG2-CD2 3.84Å; V94-L386 HydrophobicContact CG2-CD2 3.83Å; V94-L386 HydrophobicContact CG2-CG 4.15Å; A382-L386 WeakPolarHBondContact O-CG 3.41Å; A382-L386 PolarHBondContact O-N 3.23Å; M383-L386 PolarHBondContact O-N 3.46Å; T384-L386 PolarHBondContact O-N 2.96Å
387N93.1Very high96.2Very high78 Ų7833 Ų3342%0.41719%0.191SC..Hα-helixtrans-103.9-24.9-170.5-57.5-54.6000113.8R36 M383 T384R36-N387 PolarHBondContact NH2-OD1 2.88Å; M383-N387 WeakPolarHBondContact O-CB 3.37Å; M383-N387 VanDerWaalsContact O-CG 3.31Å; M383-N387 PolarHBondContact O-N 3.47Å; M383-N387 PolarHBondContact O-ND2 2.76Å; T384-N387 PolarHBondContact O-N 3.42Å
388D93.8Very high96.2Very high16 Ų1633.2 Ų33.29%0.08619%0.192CC..  trans-109.634.7-174.7-62.95000111.2T384 S390 D391 L392 T408 K409T384-D388 HydrophobicContact CG2-CB 4.06Å; T384-D388 WeakPolarHBondContact O-CB 3.48Å; T384-D388 PolarHBondContact O-N 3.29Å; D388-S390 PolarHBondContact O-N 3.22Å; D388-D391 PolarHBondContact O-N 3.35Å; D388-L392 PolarHBondContact O-N 2.87Å; D388-T408 HydrophobicContact CB-CG2 4.24Å; D388-K409 WeakPolarHBondContact OD2-CB 3.26Å; D388-K409 PolarHBondContact OD2-N 3.18Å
389A91.1Very high96.2Very high65 Ų6533.6 Ų33.654%0.53719%0.194SC..G310 helixtrans-57.2-27.9-171.900000114.2D391A389-D391 VanDerWaalsContact C-N 3.29Å; A389-D391 PolarHBondContact O-N 3.02Å
390S94.3Very high96.2Very high108 Ų10833.8 Ų33.876%0.75520%0.195SC*.G310 helixtrans-71-23.1176.853.50000114D388D388-S390 PolarHBondContact O-N 3.22Å
391D96.7Very high96.2Very high68 Ų6833.8 Ų33.836%0.36420%0.195SC..G310 helixtrans-101.4-1.3-174.8-61.5-37.7000112.4D388 A389 T408D388-D391 PolarHBondContact O-N 3.35Å; A389-D391 VanDerWaalsContact C-N 3.29Å; A389-D391 PolarHBondContact O-N 3.02Å; D391-T408 HydrophobicContact CB-CG2 3.93Å
392L97.3Very high96.2Very high14 Ų1433.8 Ų33.87%0.07320%0.195CC..SBendtrans-73.8164.5171.5-65.5-179.8000111.7Y147 L385 D388 K394 A404 F405 T408Y147-L392 HydrophobicContact CD2-CD1 4.49Å; Y147-L392 HydrophobicContact CE1-CB 4.15Å; Y147-L392 HydrophobicContact CE1-CD1 4.32Å; Y147-L392 HydrophobicContact CE2-CD1 4.13Å; L385-L392 HydrophobicContact CD1-CD1 3.82Å; L385-L392 HydrophobicContact CD1-CD2 4.43Å; L385-L392 HydrophobicContact CG-CD1 4.12Å; D388-L392 PolarHBondContact O-N 2.87Å; L392-K394 PolarHBondContact O-N 2.86Å; L392-A404 WeakPolarHBondContact CD2-O 3.48Å; L392-F405 HydrophobicContact CD2-CD1 3.88Å; L392-F405 HydrophobicContact CD2-CE1 3.83Å; L392-T408 HydrophobicContact CD2-CG2 4.08Å
393P97Very high96.2Very high10 Ų1034 Ų347%0.06520%0.197CC..  trans-47136.8166.3-30.737.4000111.8Y147 Y262 A395 F399 A404Y147-P393 HydrophobicContact CE1-CB 4.39Å; Y147-P393 PolarHBondContact OH-O 3.04Å; Y262-P393 VanDerWaalsContact OH-CB 3.31Å; Y262-P393 WeakPolarHBondContact OH-CB 3.29Å; Y262-P393 WeakPolarHBondContact OH-CG 3.41Å; P393-A395 PolarHBondContact O-N 2.97Å; P393-F399 HydrophobicContact CB-CE1 3.88Å; P393-F399 HydrophobicContact CB-CE2 4.14Å; P393-F399 HydrophobicContact CB-CZ 3.57Å; P393-F399 HydrophobicContact CG-CD1 4.12Å; P393-F399 HydrophobicContact CG-CD2 4.49Å; P393-F399 HydrophobicContact CG-CE1 3.79Å; P393-F399 HydrophobicContact CG-CE2 4.17Å; P393-F399 HydrophobicContact CG-CG 4.47Å; P393-F399 HydrophobicContact CG-CZ 3.83Å; P393-A404 WeakPolarHBondContact CD-O 3.01Å
394K91.9Very high96.3Very high225 Ų22534 Ų3498%0.97820%0.197SC*.SBendtrans-55.3-27.3-173.2-70.1-176.7177.5177.90114.7L392L392-K394 PolarHBondContact O-N 2.86Å
395A94.3Very high96.4Very high50 Ų5034.2 Ų34.241%0.41320%0.198SC..SBendtrans-122.3160.1175.600000109.5A142 Y147 P393A142-A395 HydrophobicContact CB-CB 4.43Å; Y147-A395 WeakPolarHBondContact CE1-O 3.29Å; P393-A395 PolarHBondContact O-N 2.97Å
396G97.3Very high96.4Very high3 Ų334.6 Ų34.63%0.03120%0.202CC..  trans-58-179.6166.500000112A142 V146A142-G396 WeakPolarHBondContact CA-O 3.09Å; A142-G396 WeakPolarHBondContact CB-O 3.48Å; V146-G396 CarbonylContact O-C 3.58Å; V146-G396 WeakPolarHBondContact O-CA 3.43Å
397G98.4Very high96.5Very high0 Ų038.4 Ų38.40%022%0.216CC..EExtended strand (participates in β ladder)trans152.3-175-178.300000112.6V146 I148 F399V146-G397 PolarHBondContact O-N 2.96Å; I148-G397 PolarHBondContact N-O 2.75Å; G397-F399 VanDerWaalsContact CA-CE2 3.44Å
398V98.6Very high96.8Very high5 Ų535.6 Ų35.63%0.0320%0.202CC..EExtended strand (participates in β ladder)trans-104119.1172.4-176.30000109.2Q134 H138 A141 I148Q134-V398 HydrophobicContact CB-CB 4.19Å; Q134-V398 HydrophobicContact CB-CG1 3.87Å; Q134-V398 HydrophobicContact CG-CB 4.34Å; Q134-V398 HydrophobicContact CG-CG1 4.46Å; H138-V398 HydrophobicContact CB-CB 4.39Å; H138-V398 HydrophobicContact CB-CG2 4.47Å; H138-V398 PolarHBondContact ND1-N 3.41Å; H138-V398 PolarHBondContact ND1-O 2.83Å; A141-V398 HydrophobicContact CB-CG2 4.5Å; I148-V398 HydrophobicContact CB-CB 4.37Å; I148-V398 HydrophobicContact CB-CG1 4.35Å; I148-V398 HydrophobicContact CB-CG2 3.95Å; I148-V398 HydrophobicContact CG1-CG2 4.24Å; I148-V398 HydrophobicContact CG2-CG1 4.33Å; I148-V398 HydrophobicContact CG2-CG2 4.4Å; I148-V398 CarbonylContact O-C 3.38Å; I148-V398 VanDerWaalsContact O-CA 3.31Å; I148-V398 WeakPolarHBondContact O-CA 3.18Å
399F98.6Very high96.9Very high9 Ų940.7 Ų40.74%0.03922%0.224CC..EExtended strand (participates in β ladder)trans-128.7156.1-171.3-59.4-77.3000112.3H138 Y147 I148 I149 G150 Y262 P393 G397 A403 A404H138-F399 AromaticContact CE1-CE1 4Å; Y147-F399 HydrophobicContact CD1-CD2 4.01Å; Y147-F399 AromaticContact CD1-CE2 3.75Å; Y147-F399 HydrophobicContact CD1-CE2 3.75Å; Y147-F399 HydrophobicContact CE1-CE2 4.15Å; I148-F399 PolarHBondContact O-N 3.32Å; I149-F399 WeakPolarHBondContact CA-O 3.42Å; G150-F399 PolarHBondContact N-O 3.21Å; Y262-F399 HydrophobicContact CD2-CD1 4.42Å; Y262-F399 HydrophobicContact CD2-CE1 4.21Å; Y262-F399 HydrophobicContact CE2-CD1 4.25Å; Y262-F399 AromaticContact CE2-CE1 3.7Å; Y262-F399 HydrophobicContact CE2-CE1 3.7Å; P393-F399 HydrophobicContact CB-CE1 3.88Å; P393-F399 HydrophobicContact CB-CE2 4.14Å; P393-F399 HydrophobicContact CB-CZ 3.57Å; P393-F399 HydrophobicContact CG-CD1 4.12Å; P393-F399 HydrophobicContact CG-CD2 4.49Å; P393-F399 HydrophobicContact CG-CE1 3.79Å; P393-F399 HydrophobicContact CG-CE2 4.17Å; P393-F399 HydrophobicContact CG-CG 4.47Å; P393-F399 HydrophobicContact CG-CZ 3.83Å; G397-F399 VanDerWaalsContact CA-CE2 3.44Å; F399-A403 HydrophobicContact CB-CB 4.34Å; F399-A403 HydrophobicContact CD1-CB 4.22Å; F399-A404 HydrophobicContact CB-CB 3.89Å; F399-A404 HydrophobicContact CG-CB 4.42Å
400T98.7Very high97.3Very high4 Ų437.6 Ų37.63%0.02520%0.198CC..  trans-82.6162.9159.351.90000109.8V255 R258 T259 G402 A403 A404V255-T400 HydrophobicContact CB-CG2 4.41Å; V255-T400 HydrophobicContact CG1-CG2 3.78Å; R258-T400 HydrophobicContact CB-CG2 3.7Å; T259-T400 WeakPolarHBondContact OG1-CB 3.34Å; T259-T400 PolarHBondContact OG1-OG1 3.23Å; T400-G402 PolarHBondContact O-N 3.12Å; T400-A403 PolarHBondContact O-N 3.27Å; T400-A403 VanDerWaalsContact OG1-CB 3.24Å; T400-A403 WeakPolarHBondContact OG1-CB 3.34Å; T400-A403 PolarHBondContact OG1-N 2.82Å; T400-A404 PolarHBondContact O-N 3.24Å
401P98.5Very high97.5Very high0 Ų033.7 Ų33.70%017%0.169CC..Hα-helixtrans-58.4-44.8-179.9-24.234.5000112.6I149 G150 S151 I157 A403 A404 F405I149-P401 HydrophobicContact CG2-CG 4.48Å; G150-P401 VanDerWaalsContact O-CD 3.31Å; G150-P401 WeakPolarHBondContact O-CD 3.44Å; G150-P401 WeakPolarHBondContact O-CG 3.38Å; S151-P401 WeakPolarHBondContact O-CG 3.42Å; I157-P401 HydrophobicContact CD1-CB 4.36Å; I157-P401 HydrophobicContact CG1-CB 3.61Å; I157-P401 HydrophobicContact CG1-CG 3.79Å; P401-A403 PolarHBondContact O-N 3.23Å; P401-A404 PolarHBondContact O-N 2.86Å; P401-F405 HydrophobicContact CB-CD2 4.28Å; P401-F405 VanDerWaalsContact O-CB 3.25Å; P401-F405 WeakPolarHBondContact O-CB 3.48Å; P401-F405 VanDerWaalsContact O-CD2 3.23Å; P401-F405 WeakPolarHBondContact O-CD2 3.44Å; P401-F405 PolarHBondContact O-N 3.38Å
402G98.3Very high97.5Very high0 Ų035.1 Ų35.10%018%0.176CC..Hα-helixtrans-67.7-33.4178.800000113.5D160 T400 S406D160-G402 WeakPolarHBondContact OD2-CA 3.46Å; D160-G402 PolarHBondContact OD2-N 3.29Å; T400-G402 PolarHBondContact O-N 3.12Å; G402-S406 WeakPolarHBondContact O-CB 3.24Å; G402-S406 PolarHBondContact O-N 3.26Å; G402-S406 VanDerWaalsContact O-N 3.14Å; G402-S406 PolarHBondContact O-OG 3.14Å
403A98.3Very high97.5Very high4 Ų436.7 Ų36.73%0.03318%0.181CC..Hα-helixtrans-66.9-43.6173.500000111.5Y262 F399 T400 P401Y262-A403 HydrophobicContact CD1-CB 3.56Å; Y262-A403 HydrophobicContact CD2-CB 4.5Å; Y262-A403 HydrophobicContact CE1-CB 4.28Å; Y262-A403 VanDerWaalsContact CE1-O 3.31Å; Y262-A403 WeakPolarHBondContact CE1-O 3.45Å; Y262-A403 HydrophobicContact CG-CB 3.7Å; F399-A403 HydrophobicContact CB-CB 4.34Å; F399-A403 HydrophobicContact CD1-CB 4.22Å; T400-A403 PolarHBondContact O-N 3.27Å; T400-A403 VanDerWaalsContact OG1-CB 3.24Å; T400-A403 WeakPolarHBondContact OG1-CB 3.34Å; T400-A403 PolarHBondContact OG1-N 2.82Å; P401-A403 PolarHBondContact O-N 3.23Å
404A98.5Very high97.6Very high1 Ų136.2 Ų36.21%0.00818%0.178CC..Hα-helixtrans-73.5-37.2-17900000113.3I149 L392 P393 F399 T400 P401I149-A404 HydrophobicContact CD1-CB 3.69Å; I149-A404 HydrophobicContact CG1-CB 4.25Å; I149-A404 HydrophobicContact CG2-CB 4.39Å; L392-A404 WeakPolarHBondContact CD2-O 3.48Å; P393-A404 WeakPolarHBondContact CD-O 3.01Å; F399-A404 HydrophobicContact CB-CB 3.89Å; F399-A404 HydrophobicContact CG-CB 4.42Å; T400-A404 PolarHBondContact O-N 3.24Å; P401-A404 PolarHBondContact O-N 2.86Å
405F98.6Very high97.9Very high4 Ų428 Ų282%0.01815%0.145CC..Hα-helixtrans-116.43.1-163.6-59-57.8000114.9I149 A381 T384 L385 L392 P401 K407 T408 L410I149-F405 HydrophobicContact CD1-CE1 4.01Å; I149-F405 HydrophobicContact CD1-CE2 3.67Å; I149-F405 HydrophobicContact CD1-CZ 3.28Å; I149-F405 HydrophobicContact CG2-CE2 3.98Å; A381-F405 HydrophobicContact CB-CE2 3.75Å; A381-F405 HydrophobicContact CB-CZ 3.99Å; A381-F405 WeakPolarHBondContact O-CZ 3.35Å; T384-F405 HydrophobicContact CG2-CD1 3.63Å; T384-F405 HydrophobicContact CG2-CE1 3.91Å; L385-F405 HydrophobicContact CB-CE1 4.32Å; L385-F405 HydrophobicContact CB-CZ 4.48Å; L392-F405 HydrophobicContact CD2-CD1 3.88Å; L392-F405 HydrophobicContact CD2-CE1 3.83Å; P401-F405 HydrophobicContact CB-CD2 4.28Å; P401-F405 VanDerWaalsContact O-CB 3.25Å; P401-F405 WeakPolarHBondContact O-CB 3.48Å; P401-F405 VanDerWaalsContact O-CD2 3.23Å; P401-F405 WeakPolarHBondContact O-CD2 3.44Å; P401-F405 PolarHBondContact O-N 3.38Å; F405-K407 PolarHBondContact O-N 3.29Å; F405-K407 VanDerWaalsContact O-N 3.08Å; F405-T408 WeakPolarHBondContact CA-OG1 3.44Å; F405-T408 HydrophobicContact CB-CG2 4.44Å; F405-T408 WeakPolarHBondContact CB-OG1 3.46Å; F405-T408 HydrophobicContact CD1-CG2 4.1Å; F405-T408 PolarHBondContact O-N 3Å; F405-T408 PolarHBondContact O-OG1 3.21Å; F405-L410 HydrophobicContact CB-CB 4.08Å; F405-L410 HydrophobicContact CB-CD2 3.7Å; F405-L410 HydrophobicContact CD1-CD2 4.38Å; F405-L410 HydrophobicContact CD2-CD2 3.35Å; F405-L410 HydrophobicContact CE2-CD2 3.98Å; F405-L410 HydrophobicContact CG-CB 4.44Å; F405-L410 HydrophobicContact CG-CD2 3.57Å
406S97Very high98Very high21 Ų2132.4 Ų32.415%0.14716%0.155CC..THydrogen-bonded Turntrans-55.6-27.7-177.547.40000115G402G402-S406 WeakPolarHBondContact O-CB 3.24Å; G402-S406 PolarHBondContact O-N 3.26Å; G402-S406 VanDerWaalsContact O-N 3.14Å; G402-S406 PolarHBondContact O-OG 3.14Å
407K96.9Very high98Very high121 Ų12134.5 Ų34.553%0.52616%0.164SC..THydrogen-bonded Turntrans-104.45.4179.5-62.1-170.3177.3-176.40114.1F405F405-K407 PolarHBondContact O-N 3.29Å; F405-K407 VanDerWaalsContact O-N 3.08Å
408T97.9Very high97.9Very high20 Ų2035.9 Ų35.912%0.12318%0.178CC..SBendtrans-102178.6-17571.20000112T384 D388 D391 L392 F405 L410T384-T408 VanDerWaalsContact CG2-CB 3.45Å; T384-T408 HydrophobicContact CG2-CG2 3.98Å; T384-T408 VanDerWaalsContact CG2-OG1 3.27Å; T384-T408 WeakPolarHBondContact CG2-OG1 3.37Å; D388-T408 HydrophobicContact CB-CG2 4.24Å; D391-T408 HydrophobicContact CB-CG2 3.93Å; L392-T408 HydrophobicContact CD2-CG2 4.08Å; F405-T408 WeakPolarHBondContact CA-OG1 3.44Å; F405-T408 HydrophobicContact CB-CG2 4.44Å; F405-T408 WeakPolarHBondContact CB-OG1 3.46Å; F405-T408 HydrophobicContact CD1-CG2 4.1Å; F405-T408 PolarHBondContact O-N 3Å; F405-T408 PolarHBondContact O-OG1 3.21Å; T408-L410 VanDerWaalsContact C-N 3.28Å; T408-L410 PolarHBondContact O-N 2.92Å; T408-L410 PolarHBondContact OG1-N 3.35Å
409K97Very high97.9Very high122 Ų12235.7 Ų35.753%0.5318%0.176SC..SBendtrans-87.614.4177.9-60174.5-176.9168.20113.8D388 I411 D412 R413D388-K409 WeakPolarHBondContact OD2-CB 3.26Å; D388-K409 PolarHBondContact OD2-N 3.18Å; K409-I411 VanDerWaalsContact C-N 3.31Å; K409-I411 PolarHBondContact O-N 3.43Å; K409-D412 PolarHBondContact O-N 2.89Å; K409-R413 WeakPolarHBondContact O-CG 3.49Å; K409-R413 PolarHBondContact O-N 3.48Å
410L98.4Very high97.9Very high1 Ų140.5 Ų40.51%0.00520%0.199CC..Hα-helixtrans-56-42.8-177-179.553.7000112.6L161 Q380 A381 T384 F405 T408 D412 R413 L414L161-L410 HydrophobicContact CD1-CB 4.37Å; L161-L410 HydrophobicContact CD1-CD2 3.59Å; L161-L410 HydrophobicContact CD1-CG 3.74Å; Q380-L410 HydrophobicContact CB-CD1 3.9Å; A381-L410 HydrophobicContact CB-CD2 4.35Å; T384-L410 HydrophobicContact CG2-CB 4.04Å; T384-L410 WeakPolarHBondContact OG1-CD1 3.42Å; F405-L410 HydrophobicContact CB-CB 4.08Å; F405-L410 HydrophobicContact CB-CD2 3.7Å; F405-L410 HydrophobicContact CD1-CD2 4.38Å; F405-L410 HydrophobicContact CD2-CD2 3.35Å; F405-L410 HydrophobicContact CE2-CD2 3.98Å; F405-L410 HydrophobicContact CG-CB 4.44Å; F405-L410 HydrophobicContact CG-CD2 3.57Å; T408-L410 VanDerWaalsContact C-N 3.28Å; T408-L410 PolarHBondContact O-N 2.92Å; T408-L410 PolarHBondContact OG1-N 3.35Å; L410-D412 VanDerWaalsContact C-N 3.32Å; L410-D412 PolarHBondContact O-N 3.41Å; L410-R413 PolarHBondContact O-N 3.48Å; L410-L414 HydrophobicContact CD1-CD1 4.12Å; L410-L414 HydrophobicContact CD1-CD2 4.33Å; L410-L414 HydrophobicContact CD1-CG 3.94Å; L410-L414 HydrophobicContact CG-CD1 3.94Å; L410-L414 HydrophobicContact CG-CG 4.26Å; L410-L414 WeakPolarHBondContact O-CB 3.35Å; L410-L414 WeakPolarHBondContact O-CG 3.35Å; L410-L414 PolarHBondContact O-N 2.78Å
411I98.6Very high97.9Very high26 Ų2640.9 Ų40.913%0.13320%0.2CC..Hα-helixtrans-60.3-42.9177.5-68172.2000111.1L161 Y165 K409 R413 L414 N415 F421L161-I411 HydrophobicContact CB-CD1 4.32Å; L161-I411 HydrophobicContact CB-CG1 4.14Å; L161-I411 HydrophobicContact CD1-CG1 4.09Å; Y165-I411 HydrophobicContact CD2-CD1 4.39Å; Y165-I411 HydrophobicContact CD2-CG2 4.02Å; Y165-I411 HydrophobicContact CE2-CG2 4.46Å; K409-I411 VanDerWaalsContact C-N 3.31Å; K409-I411 PolarHBondContact O-N 3.43Å; I411-R413 VanDerWaalsContact C-N 3.35Å; I411-L414 PolarHBondContact O-N 3.04Å; I411-N415 PolarHBondContact O-N 3.45Å; I411-N415 PolarHBondContact O-ND2 2.81Å; I411-F421 HydrophobicContact CG2-CB 4.21Å; I411-F421 HydrophobicContact CG2-CD1 4.33Å; I411-F421 HydrophobicContact CG2-CD2 3.92Å; I411-F421 HydrophobicContact CG2-CE2 4.39Å; I411-F421 HydrophobicContact CG2-CG 3.91Å
412D97.9Very high97.9Very high98 Ų9842.8 Ų42.852%0.52421%0.214SC..Hα-helixtrans-65.7-40.2179-61.4-30.1000111.4K409 L410 N415 K416K409-D412 PolarHBondContact O-N 2.89Å; L410-D412 VanDerWaalsContact C-N 3.32Å; L410-D412 PolarHBondContact O-N 3.41Å; D412-N415 PolarHBondContact O-N 3.23Å; D412-K416 PolarHBondContact O-N 3Å; D412-K416 VanDerWaalsContact O-N 3.11Å
413R96.8Very high97.9Very high47 Ų4745.9 Ų45.918%0.17723%0.232CC..Hα-helixtrans-63-43.6174.4-67-177.467.586.710.2111.6E30 Q380 M383 T384 K409 L410 I411 K416 H417E30-R413 IonicContact OE1-CZ 2.72Å; E30-R413 IonicContact OE1-NH2 2.81Å; E30-R413 PolarHBondContact OE1-NH2 3.48Å; E30-R413 IonicContact OE2-NH2 3.78Å; Q380-R413 HydrophobicContact CB-CB 4.43Å; M383-R413 VanDerWaalsContact CB-CZ 3.5Å; T384-R413 WeakPolarHBondContact OG1-CD 3.13Å; K409-R413 WeakPolarHBondContact O-CG 3.49Å; K409-R413 PolarHBondContact O-N 3.48Å; L410-R413 PolarHBondContact O-N 3.48Å; I411-R413 VanDerWaalsContact C-N 3.35Å; R413-K416 PolarHBondContact O-N 3.43Å; R413-H417 PolarHBondContact O-N 2.85Å; R413-H417 PolarHBondContact O-ND1 3.23Å
414L98.4Very high97.9Very high0 Ų050 Ų500%025%0.253CS..Hα-helixtrans-62-43.5177-70.2170.8000111.6I157 L161 I376 A377 Q380 L410 I411 K416 H417 G418 I419 F421I157-L414 HydrophobicContact CG2-CD1 3.59Å; L161-L414 HydrophobicContact CD1-CD1 3.76Å; I376-L414 HydrophobicContact CG2-CD2 4.4Å; A377-L414 HydrophobicContact CB-CD2 4.33Å; Q380-L414 HydrophobicContact CB-CD2 4.1Å; Q380-L414 HydrophobicContact CG-CD2 4.45Å; L410-L414 HydrophobicContact CD1-CD1 4.12Å; L410-L414 HydrophobicContact CD1-CD2 4.33Å; L410-L414 HydrophobicContact CD1-CG 3.94Å; L410-L414 HydrophobicContact CG-CD1 3.94Å; L410-L414 HydrophobicContact CG-CG 4.26Å; L410-L414 WeakPolarHBondContact O-CB 3.35Å; L410-L414 WeakPolarHBondContact O-CG 3.35Å; L410-L414 PolarHBondContact O-N 2.78Å; I411-L414 PolarHBondContact O-N 3.04Å; L414-K416 VanDerWaalsContact C-N 3.33Å; L414-K416 PolarHBondContact O-N 2.96Å; L414-H417 CarbonylContact O-C 3.54Å; L414-H417 WeakPolarHBondContact O-CA 3.27Å; L414-H417 PolarHBondContact O-N 3.25Å; L414-G418 PolarHBondContact O-N 3.41Å; L414-I419 CarbonylContact C-O 3.48Å; L414-I419 HydrophobicContact CB-CB 4.1Å; L414-I419 HydrophobicContact CB-CG2 4.41Å; L414-I419 HydrophobicContact CD2-CB 4.44Å; L414-I419 HydrophobicContact CD2-CD1 3.97Å; L414-I419 PolarHBondContact O-N 2.96Å; L414-F421 HydrophobicContact CB-CE2 4.04Å; L414-F421 HydrophobicContact CD1-CE2 3.94Å; L414-F421 HydrophobicContact CD1-CZ 4.16Å
415N98.4Very high97.8Very high51 Ų5153 Ų5327%0.27327%0.274SS..Hα-helixtrans-56.5-46.6174.8-75.8-37.3000111.5I411 D412 H417 G418 I419 E420 F421I411-N415 PolarHBondContact O-N 3.45Å; I411-N415 PolarHBondContact O-ND2 2.81Å; D412-N415 PolarHBondContact O-N 3.23Å; N415-H417 PolarHBondContact O-N 3.24Å; N415-G418 PolarHBondContact O-N 3.27Å; N415-I419 WeakPolarHBondContact CA-O 3.42Å; N415-I419 PolarHBondContact N-O 2.98Å; N415-I419 PolarHBondContact OD1-O 2.84Å; N415-E420 VanDerWaalsContact OD1-CA 3.29Å; N415-E420 WeakPolarHBondContact OD1-CA 3.45Å; N415-F421 PolarHBondContact OD1-N 3.49Å
416K96.6Very high97.5Very high143 Ų14356.1 Ų56.162%0.62230%0.296SS*.Hα-helixtrans-61.4-23.8176.7-73.4-174.6172.7-165.70113.4E35 D412 R413 L414E35-K416 IonicContact OE1-NZ 2.95Å; E35-K416 IonicContact OE2-NZ 3.18Å; E35-K416 PolarHBondContact OE2-NZ 2.75Å; D412-K416 PolarHBondContact O-N 3Å; D412-K416 VanDerWaalsContact O-N 3.11Å; R413-K416 PolarHBondContact O-N 3.43Å; L414-K416 VanDerWaalsContact C-N 3.33Å; L414-K416 PolarHBondContact O-N 2.96Å
417H97Very high97.2Very high48 Ų4857.9 Ų57.922%0.22231%0.309CS..THydrogen-bonded Turntrans-106.821.1-177.5-66.377.8000112.9E30 I376 Q380 R413 L414 N415 I419E30-H417 IonicContact OE2-CE1 3.36Å; E30-H417 IonicContact OE2-NE2 3.82Å; E30-H417 PolarHBondContact OE2-NE2 3.13Å; I376-H417 WeakPolarHBondContact CD1-O 3.25Å; I376-H417 HydrophobicContact CG2-CB 3.56Å; Q380-H417 HydrophobicContact CG-CB 4.45Å; Q380-H417 PolarHBondContact NE2-CD2 3.47Å; Q380-H417 PolarHBondContact NE2-NE2 3.45Å; R413-H417 PolarHBondContact O-N 2.85Å; R413-H417 PolarHBondContact O-ND1 3.23Å; L414-H417 CarbonylContact O-C 3.54Å; L414-H417 WeakPolarHBondContact O-CA 3.27Å; L414-H417 PolarHBondContact O-N 3.25Å; N415-H417 PolarHBondContact O-N 3.24Å; H417-I419 PolarHBondContact O-N 3.13Å
418G97.3Very high96.6Very high29 Ų2958.9 Ų58.930%0.29932%0.315SS..THydrogen-bonded Turntrans79.813.6171.700000115.4G366 P367 L414 N415G366-G418 WeakPolarHBondContact CA-O 3.46Å; P367-G418 VanDerWaalsContact CD-O 3.25Å; P367-G418 WeakPolarHBondContact CD-O 3.4Å; L414-G418 PolarHBondContact O-N 3.41Å; N415-G418 PolarHBondContact O-N 3.27Å
419I98.6Very high95.5Very high0 Ų063.7 Ų63.70%034%0.344CS..  trans-103.791.9163.8-60.4174.9000107.2F336 V364 K365 A373 I376 A377 L414 N415 H417 F421F336-I419 HydrophobicContact CZ-CG2 4.37Å; V364-I419 HydrophobicContact CG1-CG2 3.83Å; K365-I419 CarbonylContact O-C 3.48Å; K365-I419 WeakPolarHBondContact O-CA 3.41Å; A373-I419 HydrophobicContact CB-CD1 3.97Å; A373-I419 HydrophobicContact CB-CG1 4.36Å; A373-I419 WeakPolarHBondContact O-CD1 3.48Å; I376-I419 HydrophobicContact CB-CD1 4.08Å; I376-I419 HydrophobicContact CG2-CD1 3.74Å; I376-I419 HydrophobicContact CG2-CG1 4.25Å; A377-I419 HydrophobicContact CB-CD1 4.26Å; L414-I419 CarbonylContact C-O 3.48Å; L414-I419 HydrophobicContact CB-CB 4.1Å; L414-I419 HydrophobicContact CB-CG2 4.41Å; L414-I419 HydrophobicContact CD2-CB 4.44Å; L414-I419 HydrophobicContact CD2-CD1 3.97Å; L414-I419 PolarHBondContact O-N 2.96Å; N415-I419 WeakPolarHBondContact CA-O 3.42Å; N415-I419 PolarHBondContact N-O 2.98Å; N415-I419 PolarHBondContact OD1-O 2.84Å; H417-I419 PolarHBondContact O-N 3.13Å; I419-F421 HydrophobicContact CG2-CE2 3.99Å; I419-F421 WeakPolarHBondContact O-CD2 3.35Å
420E98.7Very high95.4Very high111 Ų11160.8 Ų60.852%0.51934%0.335SS..EExtended strand (participates in β ladder)trans-95.6126-163.8-63.9176.7-177.100112.6V364 K365 N415V364-E420 CarbonylContact C-O 3.54Å; V364-E420 WeakPolarHBondContact CA-O 2.93Å; K365-E420 PolarHBondContact N-O 3.23Å; K365-E420 PolarHBondContact O-N 3.25Å; N415-E420 VanDerWaalsContact OD1-CA 3.29Å; N415-E420 WeakPolarHBondContact OD1-CA 3.45Å
421F98.8Very high95.3Very high11 Ų1163.9 Ų63.95%0.04835%0.352CS..EExtended strand (participates in β ladder)trans-104.1122.9176-66.2-110000110.1L161 Y165 Q363 V364 I411 L414 N415 I419L161-F421 HydrophobicContact CB-CE1 4Å; L161-F421 HydrophobicContact CB-CZ 4.05Å; Y165-F421 HydrophobicContact CD1-CB 4.19Å; Y165-F421 HydrophobicContact CD1-CD1 4.38Å; Y165-F421 HydrophobicContact CD2-CB 3.72Å; Y165-F421 HydrophobicContact CD2-CD1 4.12Å; Y165-F421 HydrophobicContact CD2-CG 4.25Å; Y165-F421 HydrophobicContact CE1-CB 4.13Å; Y165-F421 HydrophobicContact CE2-CB 3.6Å; Y165-F421 HydrophobicContact CG-CB 3.99Å; Y165-F421 AromaticContact CG-CD1 3.84Å; Y165-F421 HydrophobicContact CG-CD1 3.84Å; Y165-F421 HydrophobicContact CG-CG 4.35Å; Y165-F421 PolarHBondContact OH-O 3.28Å; Y165-F421 VanDerWaalsContact OH-O 3.07Å; Q363-F421 WeakPolarHBondContact O-CA 3.26Å; V364-F421 HydrophobicContact CG1-CD2 4.4Å; V364-F421 HydrophobicContact CG1-CE1 4.29Å; V364-F421 HydrophobicContact CG1-CE2 4.13Å; V364-F421 HydrophobicContact CG1-CZ 4.06Å; V364-F421 HydrophobicContact CG2-CD1 3.36Å; V364-F421 HydrophobicContact CG2-CE1 3.38Å; V364-F421 HydrophobicContact CG2-CG 3.95Å; V364-F421 HydrophobicContact CG2-CZ 4.01Å; I411-F421 HydrophobicContact CG2-CB 4.21Å; I411-F421 HydrophobicContact CG2-CD1 4.33Å; I411-F421 HydrophobicContact CG2-CD2 3.92Å; I411-F421 HydrophobicContact CG2-CE2 4.39Å; I411-F421 HydrophobicContact CG2-CG 3.91Å; L414-F421 HydrophobicContact CB-CE2 4.04Å; L414-F421 HydrophobicContact CD1-CE2 3.94Å; L414-F421 HydrophobicContact CD1-CZ 4.16Å; N415-F421 PolarHBondContact OD1-N 3.49Å; I419-F421 HydrophobicContact CG2-CE2 3.99Å; I419-F421 WeakPolarHBondContact O-CD2 3.35Å
422S98.6Very high95.1Very high41 Ų4166.1 Ų66.129%0.28737%0.365SS..EExtended strand (participates in β ladder)trans-139152.6-176.758.30000112.9Y165 T362 Q363Y165-S422 WeakPolarHBondContact OH-CA 3.46Å; T362-S422 CarbonylContact C-O 3.3Å; T362-S422 VanDerWaalsContact CA-O 3.22Å; T362-S422 WeakPolarHBondContact CA-O 3.25Å; T362-S422 WeakPolarHBondContact CB-O 3.29Å; Q363-S422 PolarHBondContact N-O 3Å; Q363-S422 PolarHBondContact O-N 3.42Å; Q363-S422 PolarHBondContact O-OG 3.07Å
423V98.3Very high94.9Very high64 Ų6464.2 Ų64.239%0.38836%0.355SS..EExtended strand (participates in β ladder)trans-90.8125.2167.6-178.10000108Y165 K169 I360 T362Y165-V423 HydrophobicContact CE1-CG2 4.17Å; K169-V423 HydrophobicContact CB-CG2 3.75Å; K169-V423 HydrophobicContact CD-CG2 4.14Å; K169-V423 HydrophobicContact CG-CG2 3.69Å; I360-V423 HydrophobicContact CG1-CG1 4.43Å; T362-V423 HydrophobicContact CG2-CG2 4.3Å
424I97.9Very high94.8Very high92 Ų9265.3 Ų65.347%0.47237%0.366SS..EExtended strand (participates in β ladder)trans-93.8-42.2178.4-56.3-56.1000110.6C361 Q363C361-I424 HydrophobicContact CB-CB 4.18Å; C361-I424 PolarHBondContact O-N 3.5Å; Q363-I424 HydrophobicContact CB-CD1 3.9Å; Q363-I424 HydrophobicContact CB-CG1 3.7Å
425S95.9Very high94.6Very high63 Ų6369.6 Ų69.644%0.44139%0.391SS..EExtended strand (participates in β ladder)trans-157.1154.2174.262.60000111.2I360 C361I360-S425 CarbonylContact C-O 3.52Å; I360-S425 WeakPolarHBondContact CA-O 3.2Å; I360-S425 WeakPolarHBondContact CG1-O 3.38Å; C361-S425 VanDerWaalsContact CB-OG 3.3Å; C361-S425 WeakPolarHBondContact CB-OG 3.39Å; C361-S425 PolarHBondContact N-O 3.38Å; C361-S425 PolarHBondContact O-N 3.09Å; C361-S425 VanDerWaalsContact O-N 3.16Å
426S92.8Very high94.3Very high69 Ų6970.9 Ų70.948%0.48340%0.399SS..EExtended strand (participates in β ladder)trans-146.4130.7169.8-171.30000108.1K359K359-S426 WeakPolarHBondContact O-CA 3.46Å
427S89.6Confident94.1Very high59 Ų5965.4 Ų65.441%0.41338%0.382SS..EExtended strand (participates in β ladder)trans-148.3139.2-175.662.40000111.3K359K359-S427 PolarHBondContact N-O 3.38Å; K359-S427 PolarHBondContact O-N 3.12Å
428E84.7Confident93.9Very high142 Ų14266.8 Ų66.866%0.66440%0.395SS*.EExtended strand (participates in β ladder)trans-76141.8160.9-58.8-167.2165.600109.6N357 I358N357-E428 CarbonylContact O-C 3.58Å; N357-E428 WeakPolarHBondContact O-CA 3.4Å; I358-E428 HydrophobicContact CG1-CG 4.29Å
429V75.6Confident93.6Very high121 Ų12170.3 Ų70.373%0.73340%0.404SS*.  trans-126.10-170.4-176.50000111.5N357 K359N357-V429 PolarHBondContact O-N 3.42Å; K359-V429 HydrophobicContact CB-CG2 4.16Å; K359-V429 HydrophobicContact CD-CG2 3.79Å; K359-V429 HydrophobicContact CG-CG2 3.77Å

Retrieved 429 of 429 residues in 410.5 ms (Link to these results)

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