A0A3B3U545_9TELE Loading...

Spermidine synthase

Catalyzes the production of spermidine from putrescine and decarboxylated S-adenosylmethionine (dcSAM). Has a strong preference for putrescine as substrate, and has very low activity towards 1,3-diaminopropane. Has extremely low activity towards spermidine.

AlphaFold DB , UniProt , Accession A0A3B3U545, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 289 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
1M54.9Low89.2Confident171 Ų17188.5 Ų88.584%0.84244%0.44SS*.  0-23.60-93.3177.6-94.800113.9R3 I4 H31M1-R3 PolarHBondContact O-N 3.46Å; M1-R3 VanDerWaalsContact O-N 3.08Å; M1-I4 PolarHBondContact O-N 2.94Å; M1-I4 VanDerWaalsContact O-N 3.13Å; M1-H31 PolarHBondContact N-CE1 2.84Å
2D69.6Low89.6Confident148 Ų14886.7 Ų86.779%0.79144%0.442SS*.THydrogen-bonded Turntrans-62.2-17.8-178.5-66.4-12.9000116K5D2-K5 WeakPolarHBondContact O-CE 3.37Å
3R81.3Confident89.9Confident105 Ų10582.8 Ų82.840%0.39643%0.427SS..THydrogen-bonded Turntrans-91.9-7.9178.6-63.3-168.9-176.8-130.28.6114.6M1 F9 T10 S12 D54 G55M1-R3 PolarHBondContact O-N 3.46Å; M1-R3 VanDerWaalsContact O-N 3.08Å; R3-F9 HydrophobicContact CB-CD2 4.28Å; R3-F9 HydrophobicContact CB-CE2 4.15Å; R3-T10 PolarHBondContact O-N 3.29Å; R3-S12 PolarHBondContact NH1-O 3.14Å; R3-D54 PolarHBondContact NH2-O 3.28Å; R3-G55 PolarHBondContact NH1-O 3.15Å
4I94Very high90.2Very high41 Ų4183.7 Ų83.721%0.2145%0.453CS..EExtended strand (participates in β ladder)trans-104.2112.6171.9-61.6173.4000107.8M1 W8 F9 V25 V28 M40M1-I4 PolarHBondContact O-N 2.94Å; M1-I4 VanDerWaalsContact O-N 3.13Å; I4-W8 CarbonylContact C-O 3.54Å; I4-W8 VanDerWaalsContact CA-O 3.27Å; I4-W8 WeakPolarHBondContact CA-O 2.98Å; I4-F9 HydrophobicContact CG1-CB 4.14Å; I4-F9 HydrophobicContact CG1-CD2 4.3Å; I4-V25 HydrophobicContact CD1-CG1 4.47Å; I4-V25 HydrophobicContact CD1-CG2 4.11Å; I4-V25 HydrophobicContact CG1-CG2 4.23Å; I4-V25 HydrophobicContact CG2-CG2 4.1Å; I4-V28 HydrophobicContact CD1-CG2 3.52Å; I4-M40 HydrophobicContact CD1-SD 4.01Å
5K95.9Very high90.4Very high145 Ų14581.5 Ų81.563%0.6344%0.44SS*.EExtended strand (participates in β ladder)trans-129.5133.5179.9-64.9-174.6-177.1178.20109.6D2 G7 W8D2-K5 WeakPolarHBondContact O-CE 3.37Å; K5-G7 PolarHBondContact O-N 3.5Å; K5-G7 VanDerWaalsContact O-N 3.07Å; K5-W8 PolarHBondContact N-O 3.42Å; K5-W8 PolarHBondContact O-N 3.43Å
6D95.6Very high90.8Very high163 Ų16376.6 Ų76.687%0.87241%0.413SS*.THydrogen-bonded Turntrans51.833.1-179.8-54.5-42.4000113.9W8D6-W8 VanDerWaalsContact O-CD1 3.31Å
7G96.9Very high91.2Very high34 Ų3478.3 Ų78.335%0.35143%0.429SS..THydrogen-bonded Turntrans82.96.9-17900000115.2K5 V25K5-G7 PolarHBondContact O-N 3.5Å; K5-G7 VanDerWaalsContact O-N 3.07Å; G7-V25 WeakPolarHBondContact O-CB 3.47Å; G7-V25 PolarHBondContact O-N 3.29Å
8W98.5Very high91.5Very high116 Ų11679.3 Ų79.344%0.43946%0.46SS..EExtended strand (participates in β ladder)trans-115.7130.7178.9-66.879.8000111.2I4 K5 D6 E24I4-W8 CarbonylContact C-O 3.54Å; I4-W8 VanDerWaalsContact CA-O 3.27Å; I4-W8 WeakPolarHBondContact CA-O 2.98Å; K5-W8 PolarHBondContact N-O 3.42Å; K5-W8 PolarHBondContact O-N 3.43Å; D6-W8 VanDerWaalsContact O-CD1 3.31Å; W8-E24 HydrophobicContact CD2-CB 3.98Å; W8-E24 HydrophobicContact CD2-CG 4.24Å; W8-E24 HydrophobicContact CE3-CB 3.9Å; W8-E24 VanDerWaalsContact CE3-N 3.29Å; W8-E24 HydrophobicContact CH2-CB 3.81Å; W8-E24 HydrophobicContact CH2-CG 4.44Å; W8-E24 HydrophobicContact CZ2-CB 3.86Å; W8-E24 HydrophobicContact CZ2-CG 3.99Å; W8-E24 HydrophobicContact CZ3-CB 3.82Å
9F98.5Very high91.8Very high0 Ų079.2 Ų79.20%046%0.455CS..EExtended strand (participates in β ladder)trans-82.6131163.2169.6-96.4000108.2R3 I4 E11 S22 L23 V25 M40 F42 V52 I57R3-F9 HydrophobicContact CB-CD2 4.28Å; R3-F9 HydrophobicContact CB-CE2 4.15Å; I4-F9 HydrophobicContact CG1-CB 4.14Å; I4-F9 HydrophobicContact CG1-CD2 4.3Å; F9-E11 HydrophobicContact CE1-CB 3.97Å; F9-E11 HydrophobicContact CZ-CB 4.42Å; F9-S22 CarbonylContact O-C 3.57Å; F9-S22 WeakPolarHBondContact O-CA 3.22Å; F9-L23 PolarHBondContact N-O 2.96Å; F9-L23 PolarHBondContact O-N 3.5Å; F9-V25 HydrophobicContact CB-CG2 3.83Å; F9-M40 HydrophobicContact CD2-CE 3.64Å; F9-M40 HydrophobicContact CE2-CE 3.41Å; F9-M40 VanDerWaalsContact CE2-CE 3.41Å; F9-M40 HydrophobicContact CZ-CE 4.42Å; F9-F42 HydrophobicContact CB-CE1 3.91Å; F9-F42 HydrophobicContact CB-CE2 4.36Å; F9-F42 HydrophobicContact CB-CZ 3.74Å; F9-F42 AromaticContact CD1-CE1 3.89Å; F9-F42 HydrophobicContact CD1-CE1 3.89Å; F9-F42 AromaticContact CD1-CZ 3.9Å; F9-F42 HydrophobicContact CD1-CZ 3.9Å; F9-F42 HydrophobicContact CD2-CE1 4.26Å; F9-F42 AromaticContact CG-CE1 3.73Å; F9-F42 HydrophobicContact CG-CE1 3.73Å; F9-F42 AromaticContact CG-CZ 3.91Å; F9-F42 HydrophobicContact CG-CZ 3.91Å; F9-V52 HydrophobicContact CE1-CG1 4.48Å; F9-V52 HydrophobicContact CE1-CG2 4.02Å; F9-V52 HydrophobicContact CE2-CG1 3.88Å; F9-V52 HydrophobicContact CE2-CG2 4.22Å; F9-V52 HydrophobicContact CZ-CB 4.35Å; F9-V52 HydrophobicContact CZ-CG1 3.56Å; F9-V52 HydrophobicContact CZ-CG2 3.81Å; F9-I57 HydrophobicContact CD1-CD1 4.46Å; F9-I57 HydrophobicContact CD1-CG1 4.46Å; F9-I57 HydrophobicContact CE1-CD1 4.02Å; F9-I57 HydrophobicContact CE1-CG1 3.68Å
10T98.1Very high92.1Very high50 Ų5078.3 Ų78.331%0.30746%0.458SS..EExtended strand (participates in β ladder)trans-119.8116.8177-60.10000111R3 A20 M21 S22R3-T10 PolarHBondContact O-N 3.29Å; T10-A20 HydrophobicContact CG2-CB 3.77Å; T10-M21 WeakPolarHBondContact CA-O 3.47Å; T10-S22 PolarHBondContact OG1-OG 2.82Å
11E97.7Very high92.4Very high1 Ų176.6 Ų76.61%0.00545%0.446CS..EExtended strand (participates in β ladder)trans-79.2123.4170178.8-177.8-110.900110F9 W16 A20 M21 V56 I57F9-E11 HydrophobicContact CE1-CB 3.97Å; F9-E11 HydrophobicContact CZ-CB 4.42Å; E11-W16 HydrophobicContact CG-CZ2 3.69Å; E11-A20 WeakPolarHBondContact O-CA 3.48Å; E11-A20 WeakPolarHBondContact O-CB 3.27Å; E11-M21 PolarHBondContact N-O 3.2Å; E11-M21 PolarHBondContact O-N 3.42Å; E11-V56 WeakPolarHBondContact OE1-CA 3.39Å; E11-V56 WeakPolarHBondContact OE1-CG1 3.49Å; E11-I57 HydrophobicContact CB-CD1 4.25Å; E11-I57 HydrophobicContact CB-CG1 4.39Å; E11-I57 PolarHBondContact OE1-N 2.92Å
12S94.4Very high94.5Very high66 Ų6670.9 Ų70.946%0.46242%0.423SS..  trans-143.8139170.554.40000109.3R3R3-S12 PolarHBondContact NH1-O 3.14Å
13C93.6Very high95.9Very high36 Ų3664.1 Ų64.124%0.24339%0.387CS..  trans-147.8152.7-178.4-172.30000110.5M15 W16C13-M15 PolarHBondContact O-N 3.15Å; C13-W16 HydrophobicContact CB-CD2 3.77Å; C13-W16 HydrophobicContact CB-CE3 4.04Å; C13-W16 HydrophobicContact CB-CH2 3.5Å; C13-W16 HydrophobicContact CB-CZ2 3.19Å; C13-W16 HydrophobicContact CB-CZ3 3.91Å; C13-W16 CarbonylContact O-C 3.57Å; C13-W16 PolarHBondContact O-N 3.42Å
14A93.5Very high96.7Very high96 Ų9663 Ų6379%0.79339%0.386SS*.THydrogen-bonded Turntrans-65.7-19.1174.800000113.2W16 P17A14-W16 VanDerWaalsContact C-N 3.32Å; A14-P17 WeakPolarHBondContact O-CD 3.19Å
15M93.6Very high96.9Very high51 Ų5162 Ų6225%0.25138%0.382SS..THydrogen-bonded Turntrans-69.1-28176.1-70.2-67.5-66.800112.6C13 P165 V166 H201C13-M15 PolarHBondContact O-N 3.15Å; M15-P165 HydrophobicContact CE-CG 3.61Å; M15-P165 HydrophobicContact SD-CG 4.46Å; M15-V166 HydrophobicContact CG-CG2 4.06Å; M15-V166 HydrophobicContact SD-CG2 4.42Å; M15-H201 PolarHBondContact O-NE2 3.09Å; M15-H201 VanDerWaalsContact O-NE2 3.11Å
16W96.6Very high97.1Very high2 Ų259.2 Ų59.21%0.00837%0.371CS..SBendtrans-127.169.7175.349.488.4000111.1E11 C13 A14 Q19 V56 D164 L200 P230E11-W16 HydrophobicContact CG-CZ2 3.69Å; C13-W16 HydrophobicContact CB-CD2 3.77Å; C13-W16 HydrophobicContact CB-CE3 4.04Å; C13-W16 HydrophobicContact CB-CH2 3.5Å; C13-W16 HydrophobicContact CB-CZ2 3.19Å; C13-W16 HydrophobicContact CB-CZ3 3.91Å; C13-W16 CarbonylContact O-C 3.57Å; C13-W16 PolarHBondContact O-N 3.42Å; A14-W16 VanDerWaalsContact C-N 3.32Å; W16-Q19 HydrophobicContact CB-CG 3.74Å; W16-Q19 HydrophobicContact CG-CG 4.16Å; W16-Q19 VanDerWaalsContact O-CG 3.3Å; W16-Q19 WeakPolarHBondContact O-CG 3.46Å; W16-Q19 PolarHBondContact O-N 3.12Å; W16-V56 HydrophobicContact CH2-CG1 3.93Å; W16-V56 HydrophobicContact CH2-CG2 3.94Å; W16-V56 HydrophobicContact CZ2-CG1 4.48Å; W16-V56 HydrophobicContact CZ2-CG2 4.29Å; W16-D164 VanDerWaalsContact CH2-OD2 3.24Å; W16-D164 WeakPolarHBondContact CH2-OD2 3.25Å; W16-D164 WeakPolarHBondContact CZ3-OD2 3.16Å; W16-L200 HydrophobicContact CB-CD1 4.05Å; W16-L200 HydrophobicContact CB-CD2 4.4Å; W16-P230 HydrophobicContact CB-CB 4.45Å; W16-P230 HydrophobicContact CD2-CB 3.84Å; W16-P230 HydrophobicContact CD2-CG 3.6Å; W16-P230 HydrophobicContact CE3-CB 3.92Å; W16-P230 HydrophobicContact CE3-CG 3.56Å; W16-P230 HydrophobicContact CG-CB 4.11Å; W16-P230 HydrophobicContact CG-CG 4.34Å; W16-P230 HydrophobicContact CH2-CG 3.72Å; W16-P230 HydrophobicContact CZ2-CG 3.75Å; W16-P230 HydrophobicContact CZ3-CB 4.45Å; W16-P230 HydrophobicContact CZ3-CG 3.63Å
17P96.9Very high97.2Very high106 Ų10656.7 Ų56.769%0.68835%0.354SS*.THydrogen-bonded Turntrans-65.3140.2-171.828.8-35.1000111.7A14 Q19A14-P17 WeakPolarHBondContact O-CD 3.19Å; P17-Q19 VanDerWaalsContact C-N 3.27Å; P17-Q19 PolarHBondContact O-N 2.82Å
18G97.5Very high97.2Very high96 Ų9658.2 Ų58.299%0.9936%0.356SS*.THydrogen-bonded Turntrans79.72.6175.800000115.2
19Q97.9Very high97.2Very high77 Ų7754.4 Ų54.436%0.3634%0.344SS..  trans-127.9155.6171.763.8-178.667.700111.4W16 P17 S231W16-Q19 HydrophobicContact CB-CG 3.74Å; W16-Q19 HydrophobicContact CG-CG 4.16Å; W16-Q19 VanDerWaalsContact O-CG 3.3Å; W16-Q19 WeakPolarHBondContact O-CG 3.46Å; W16-Q19 PolarHBondContact O-N 3.12Å; P17-Q19 VanDerWaalsContact C-N 3.27Å; P17-Q19 PolarHBondContact O-N 2.82Å; Q19-S231 PolarHBondContact NE2-OG 2.98Å; Q19-S231 VanDerWaalsContact NE2-OG 3.08Å
20A97.8Very high97.2Very high62 Ų6256.4 Ų56.451%0.51235%0.352SS..  trans-152.4149.4177.500000109.8T10 E11T10-A20 HydrophobicContact CG2-CB 3.77Å; E11-A20 WeakPolarHBondContact O-CA 3.48Å; E11-A20 WeakPolarHBondContact O-CB 3.27Å
21M97.7Very high97.2Very high42 Ų4257.1 Ų57.121%0.20735%0.352CS..EExtended strand (participates in β ladder)trans-110.5136.7169.6179.2160.5177.300109.5T10 E11 L23 T228T10-M21 WeakPolarHBondContact CA-O 3.47Å; E11-M21 PolarHBondContact N-O 3.2Å; E11-M21 PolarHBondContact O-N 3.42Å; M21-L23 HydrophobicContact CE-CD2 3.73Å; M21-L23 HydrophobicContact CE-CG 4.27Å; M21-T228 HydrophobicContact CE-CG2 3.67Å
22S98.4Very high97.2Very high52 Ų5263.1 Ų63.136%0.36438%0.378SS..EExtended strand (participates in β ladder)trans-120134.2176.8-61.40000111.4F9 T10F9-S22 CarbonylContact O-C 3.57Å; F9-S22 WeakPolarHBondContact O-CA 3.22Å; T10-S22 PolarHBondContact OG1-OG 2.82Å
23L98.8Very high97.3Very high6 Ų667.8 Ų67.83%0.03139%0.392CS..EExtended strand (participates in β ladder)trans-118.2129.6172.9-68179.6000109.5F9 M21 V25 F42 Y47 V50 I57 T60 T228F9-L23 PolarHBondContact N-O 2.96Å; F9-L23 PolarHBondContact O-N 3.5Å; M21-L23 HydrophobicContact CE-CD2 3.73Å; M21-L23 HydrophobicContact CE-CG 4.27Å; L23-V25 PolarHBondContact O-N 3.32Å; L23-F42 HydrophobicContact CB-CE2 4.22Å; L23-F42 HydrophobicContact CB-CZ 4.13Å; L23-F42 HydrophobicContact CD1-CZ 4.38Å; L23-Y47 HydrophobicContact CD2-CD2 3.63Å; L23-Y47 HydrophobicContact CD2-CE2 3.81Å; L23-Y47 HydrophobicContact CD2-CG 4.11Å; L23-V50 HydrophobicContact CD1-CG1 4.32Å; L23-V50 HydrophobicContact CD1-CG2 4.02Å; L23-I57 HydrophobicContact CD1-CD1 3.91Å; L23-I57 HydrophobicContact CG-CD1 4.44Å; L23-T60 HydrophobicContact CD1-CG2 4.23Å; L23-T228 HydrophobicContact CD1-CG2 4.44Å
24E98.7Very high97.4Very high81 Ų8166.8 Ų66.838%0.37939%0.386SS..EExtended strand (participates in β ladder)trans-69.8127.8176.4-163.7-177.6170.700109.8W8 S44 K45W8-E24 HydrophobicContact CD2-CB 3.98Å; W8-E24 HydrophobicContact CD2-CG 4.24Å; W8-E24 HydrophobicContact CE3-CB 3.9Å; W8-E24 VanDerWaalsContact CE3-N 3.29Å; W8-E24 HydrophobicContact CH2-CB 3.81Å; W8-E24 HydrophobicContact CH2-CG 4.44Å; W8-E24 HydrophobicContact CZ2-CB 3.86Å; W8-E24 HydrophobicContact CZ2-CG 3.99Å; W8-E24 HydrophobicContact CZ3-CB 3.82Å; E24-S44 CarbonylContact O-C 3.52Å; E24-S44 VanDerWaalsContact O-CA 3.25Å; E24-S44 WeakPolarHBondContact O-CA 3.46Å; E24-K45 HydrophobicContact CB-CB 4.24Å; E24-K45 HydrophobicContact CB-CG 3.87Å; E24-K45 HydrophobicContact CG-CG 3.72Å; E24-K45 PolarHBondContact O-N 2.86Å
25V98.8Very high97.4Very high20 Ų2070 Ų7012%0.12138%0.382CS..EExtended strand (participates in β ladder)trans-88.6125.5-176.5-177.40000109.2I4 G7 F9 L23 V28 F42I4-V25 HydrophobicContact CD1-CG1 4.47Å; I4-V25 HydrophobicContact CD1-CG2 4.11Å; I4-V25 HydrophobicContact CG1-CG2 4.23Å; I4-V25 HydrophobicContact CG2-CG2 4.1Å; G7-V25 WeakPolarHBondContact O-CB 3.47Å; G7-V25 PolarHBondContact O-N 3.29Å; F9-V25 HydrophobicContact CB-CG2 3.83Å; L23-V25 PolarHBondContact O-N 3.32Å; V25-V28 HydrophobicContact CG1-CG2 4.15Å; V25-F42 HydrophobicContact CB-CD2 4.26Å; V25-F42 HydrophobicContact CG1-CB 4.14Å; V25-F42 HydrophobicContact CG1-CD2 4.03Å; V25-F42 HydrophobicContact CG1-CG 4.35Å; V25-F42 HydrophobicContact CG2-CD2 3.82Å; V25-F42 HydrophobicContact CG2-CE2 3.95Å; V25-F42 HydrophobicContact CG2-CG 4.35Å
26E98.6Very high97.4Very high86 Ų8672 Ų7240%0.40239%0.389SS..EExtended strand (participates in β ladder)trans-85.3-48167.3-171.3178.9154.200111K43 K45E26-K43 WeakPolarHBondContact CA-O 3.41Å; E26-K43 HydrophobicContact CB-CB 4.37Å; E26-K43 HydrophobicContact CB-CD 4.43Å; E26-K43 HydrophobicContact CB-CG 4.24Å; E26-K43 WeakPolarHBondContact CB-O 3.36Å; E26-K43 VanDerWaalsContact CD-NZ 3.29Å; E26-K43 HydrophobicContact CG-CD 4.38Å; E26-K43 PolarHBondContact N-O 2.87Å; E26-K43 WeakPolarHBondContact OE1-CE 3.28Å; E26-K43 IonicContact OE1-NZ 2.75Å; E26-K43 PolarHBondContact OE1-NZ 3.3Å; E26-K43 WeakPolarHBondContact OE2-CE 3.5Å; E26-K43 IonicContact OE2-NZ 3.28Å; E26-K43 PolarHBondContact OE2-NZ 3.39Å; E26-K45 HydrophobicContact CB-CD 3.98Å; E26-K45 HydrophobicContact CG-CD 4.23Å
27E98.3Very high97.2Very high110 Ų11072.6 Ų72.651%0.51439%0.392SS..EExtended strand (participates in β ladder)trans-156.1136.8-176.8-175.6-178.4-176.800110.6L29 F42 K43E27-L29 HydrophobicContact CB-CD2 4.32Å; E27-L29 HydrophobicContact CG-CD2 3.97Å; E27-F42 CarbonylContact O-C 3.6Å; E27-F42 VanDerWaalsContact O-CA 3.26Å; E27-F42 WeakPolarHBondContact O-CA 3.39Å; E27-F42 WeakPolarHBondContact O-CB 3.41Å; E27-K43 HydrophobicContact CB-CB 4.34Å; E27-K43 PolarHBondContact N-O 3.16Å; E27-K43 PolarHBondContact O-N 2.89Å
28V98.3Very high97.2Very high66 Ų6669.7 Ų69.740%0.437%0.371SS..EExtended strand (participates in β ladder)trans-83.8115.1168.5-179.20000108.6I4 V25 H31 F42I4-V28 HydrophobicContact CD1-CG2 3.52Å; V25-V28 HydrophobicContact CG1-CG2 4.15Å; V28-H31 HydrophobicContact CG1-CB 4.26Å; V28-F42 HydrophobicContact CG2-CB 4.47Å
29L98.5Very high97.1Very high36 Ų3665.1 Ų65.119%0.18832%0.324CS..EExtended strand (participates in β ladder)trans-90.5-31.1-173.8-59.2178.9000112.8E27 V41 K43 N49 Y124E27-L29 HydrophobicContact CB-CD2 4.32Å; E27-L29 HydrophobicContact CG-CD2 3.97Å; L29-V41 WeakPolarHBondContact CA-O 3.31Å; L29-V41 HydrophobicContact CB-CG1 4.4Å; L29-V41 WeakPolarHBondContact CB-O 3.46Å; L29-V41 HydrophobicContact CD1-CG1 4.18Å; L29-V41 PolarHBondContact N-O 2.87Å; L29-K43 HydrophobicContact CD1-CB 4.13Å; L29-K43 HydrophobicContact CD2-CB 4.44Å; L29-K43 HydrophobicContact CG-CB 4.3Å; L29-N49 WeakPolarHBondContact CD1-OD1 3.36Å; L29-Y124 HydrophobicContact CB-CD1 3.86Å; L29-Y124 HydrophobicContact CB-CE1 3.73Å; L29-Y124 HydrophobicContact CD1-CD1 3.93Å; L29-Y124 HydrophobicContact CG-CD1 4.46Å; L29-Y124 PolarHBondContact O-OH 3.47Å
30Y98.3Very high97.1Very high42 Ų4261.7 Ų61.717%0.16531%0.308CS..EExtended strand (participates in β ladder)trans-157.1139-179.3-175.2-94.1000110K32 V39 M40 V41 V120 Y124Y30-K32 HydrophobicContact CE1-CB 3.97Å; Y30-K32 HydrophobicContact CE1-CG 4.3Å; Y30-K32 HydrophobicContact CE2-CD 4.07Å; Y30-K32 HydrophobicContact CE2-CG 4.2Å; Y30-V39 HydrophobicContact CD1-CG1 4.21Å; Y30-V39 WeakPolarHBondContact CD1-O 3.26Å; Y30-V39 HydrophobicContact CE1-CB 4.07Å; Y30-V39 HydrophobicContact CE1-CG1 3.94Å; Y30-M40 CarbonylContact O-C 3.55Å; Y30-M40 WeakPolarHBondContact O-CA 3.35Å; Y30-V41 PolarHBondContact N-O 3.36Å; Y30-V41 PolarHBondContact O-N 3.07Å; Y30-V41 VanDerWaalsContact O-O 3.13Å; Y30-V120 HydrophobicContact CD1-CG1 4.24Å; Y30-V120 HydrophobicContact CD1-CG2 3.8Å; Y30-V120 HydrophobicContact CD2-CG2 4.21Å; Y30-V120 HydrophobicContact CE1-CG2 3.52Å; Y30-V120 HydrophobicContact CE2-CG2 3.95Å; Y30-V120 HydrophobicContact CG-CG1 4.49Å; Y30-V120 HydrophobicContact CG-CG2 4.13Å; Y30-Y124 HydrophobicContact CD2-CE2 4.19Å; Y30-Y124 HydrophobicContact CG-CE2 4.26Å
31H97.5Very high97.2Very high65 Ų6558.7 Ų58.730%0.30128%0.283SS..EExtended strand (participates in β ladder)trans-154.3111.5167.8-172.2-166.2000109.9M1 V28 D38 V39 M40M1-H31 PolarHBondContact N-CE1 2.84Å; V28-H31 HydrophobicContact CG1-CB 4.26Å; H31-D38 IonicContact CD2-OD1 3.13Å; H31-D38 PolarHBondContact CD2-OD1 3.07Å; H31-D38 IonicContact CD2-OD2 2.74Å; H31-D38 IonicContact CE1-OD1 2.78Å; H31-D38 IonicContact CE1-OD2 2.87Å; H31-D38 IonicContact NE2-OD1 3.69Å; H31-D38 PolarHBondContact NE2-OD1 3.29Å; H31-D38 IonicContact NE2-OD2 2.69Å; H31-D38 PolarHBondContact NE2-OD2 3.22Å; H31-V39 WeakPolarHBondContact CA-O 3.28Å; H31-M40 HydrophobicContact CB-CG 4.47Å
32K96.8Very high97.2Very high128 Ų12856.7 Ų56.756%0.55727%0.273SS*.EExtended strand (participates in β ladder)trans-152.3151.8174.6-64.4-169.7-177.61760111.1Y30 V39Y30-K32 HydrophobicContact CE1-CB 3.97Å; Y30-K32 HydrophobicContact CE1-CG 4.3Å; Y30-K32 HydrophobicContact CE2-CD 4.07Å; Y30-K32 HydrophobicContact CE2-CG 4.2Å; K32-V39 PolarHBondContact N-O 3.22Å; K32-V39 WeakPolarHBondContact O-CA 3.32Å; K32-V39 PolarHBondContact O-N 2.85Å; K32-V39 VanDerWaalsContact O-O 3.13Å
33E96.8Very high97.3Very high164 Ų16457.6 Ų57.677%0.76627%0.271SS*.EExtended strand (participates in β ladder)trans-81.9125.2167-164.9174.5-179.200109.4
34S95.8Very high97.3Very high15 Ų1557.4 Ų57.411%0.10527%0.27CS..  trans-83.8-169173.380.80000110.3F36 Q37 D114 D116S34-F36 PolarHBondContact O-N 2.81Å; S34-F36 PolarHBondContact OG-N 2.81Å; S34-Q37 PolarHBondContact N-O 2.73Å; S34-Q37 PolarHBondContact OG-N 2.98Å; S34-Q37 VanDerWaalsContact OG-N 3.14Å; S34-Q37 PolarHBondContact OG-O 2.82Å; S34-D114 WeakPolarHBondContact CB-OD2 3.47Å; S34-D114 PolarHBondContact OG-OD1 2.97Å; S34-D114 PolarHBondContact OG-OD2 2.78Å; S34-D116 WeakPolarHBondContact CB-OD2 3.42Å
35K94.4Very high97.3Very high163 Ų16358.5 Ų58.571%0.70927%0.273SS*.SBendtrans-66.8-16.4170-67.4172.6-170.5145.80113.1E115K35-E115 IonicContact NZ-OE1 2.72Å; K35-E115 PolarHBondContact NZ-OE1 3.48Å
36F92.6Very high97.3Very high92 Ų9261.7 Ų61.740%0.40429%0.293SS..SBendtrans-121.1-35.4-168.4-60.5-79.7000113.7S34 I113 D114S34-F36 PolarHBondContact O-N 2.81Å; S34-F36 PolarHBondContact OG-N 2.81Å; F36-I113 HydrophobicContact CD1-CD1 3.95Å; F36-I113 HydrophobicContact CD1-CG1 4.03Å; F36-I113 HydrophobicContact CE1-CD1 3.71Å; F36-I113 HydrophobicContact CE1-CG1 3.6Å; F36-I113 HydrophobicContact CE2-CG1 4.32Å; F36-I113 WeakPolarHBondContact CE2-O 3.22Å; F36-I113 HydrophobicContact CZ-CD1 4.38Å; F36-I113 HydrophobicContact CZ-CG1 3.76Å; F36-I113 WeakPolarHBondContact CZ-O 3.39Å; F36-D114 HydrophobicContact CD2-CB 3.84Å; F36-D114 HydrophobicContact CG-CB 4.49Å
37Q93.3Very high97.3Very high15 Ų1559.6 Ų59.67%0.0728%0.282CS..SBendtrans-161.1164.8-16862.5-158.4-42.500113.1S34 V39 L53 D54 D114S34-Q37 PolarHBondContact N-O 2.73Å; S34-Q37 PolarHBondContact OG-N 2.98Å; S34-Q37 VanDerWaalsContact OG-N 3.14Å; S34-Q37 PolarHBondContact OG-O 2.82Å; Q37-V39 HydrophobicContact CG-CG2 3.97Å; Q37-V39 PolarHBondContact O-N 3.2Å; Q37-L53 HydrophobicContact CG-CD2 4.24Å; Q37-D54 WeakPolarHBondContact CB-OD1 3.45Å; Q37-D114 PolarHBondContact NE2-OD2 2.97Å
38D95.6Very high97.3Very high45 Ų4555.5 Ų55.524%0.24127%0.269CS..EExtended strand (participates in β ladder)trans-75.2118.8168.8-173.560.9000110.2H31 L53 D54H31-D38 IonicContact CD2-OD1 3.13Å; H31-D38 PolarHBondContact CD2-OD1 3.07Å; H31-D38 IonicContact CD2-OD2 2.74Å; H31-D38 IonicContact CE1-OD1 2.78Å; H31-D38 IonicContact CE1-OD2 2.87Å; H31-D38 IonicContact NE2-OD1 3.69Å; H31-D38 PolarHBondContact NE2-OD1 3.29Å; H31-D38 IonicContact NE2-OD2 2.69Å; H31-D38 PolarHBondContact NE2-OD2 3.22Å; D38-L53 CarbonylContact O-C 3.44Å; D38-L53 VanDerWaalsContact O-CA 3.32Å; D38-L53 WeakPolarHBondContact O-CA 3.21Å; D38-D54 PolarHBondContact N-OD1 3.46Å; D38-D54 PolarHBondContact O-N 2.85Å
39V97.3Very high97.3Very high0 Ų053.5 Ų53.50%026%0.256CS..EExtended strand (participates in β ladder)trans-110.9116.9-178.2-1750000109.7Y30 H31 K32 Q37 L51 L53 V117 V120Y30-V39 HydrophobicContact CD1-CG1 4.21Å; Y30-V39 WeakPolarHBondContact CD1-O 3.26Å; Y30-V39 HydrophobicContact CE1-CB 4.07Å; Y30-V39 HydrophobicContact CE1-CG1 3.94Å; H31-V39 WeakPolarHBondContact CA-O 3.28Å; K32-V39 PolarHBondContact N-O 3.22Å; K32-V39 WeakPolarHBondContact O-CA 3.32Å; K32-V39 PolarHBondContact O-N 2.85Å; K32-V39 VanDerWaalsContact O-O 3.13Å; Q37-V39 HydrophobicContact CG-CG2 3.97Å; Q37-V39 PolarHBondContact O-N 3.2Å; V39-L51 HydrophobicContact CG1-CD1 4.24Å; V39-L53 HydrophobicContact CB-CD2 4.14Å; V39-L53 HydrophobicContact CG1-CD2 3.95Å; V39-L53 HydrophobicContact CG2-CD2 3.8Å; V39-V117 HydrophobicContact CG2-CG2 4.33Å; V39-V120 HydrophobicContact CG1-CG1 4.34Å; V39-V120 HydrophobicContact CG1-CG2 4.37Å
40M98.1Very high97.3Very high5 Ų551.8 Ų51.83%0.02525%0.247CC..EExtended strand (participates in β ladder)trans-126.6136.8177.2175171.34700111.1I4 F9 Y30 H31 F42 V52I4-M40 HydrophobicContact CD1-SD 4.01Å; F9-M40 HydrophobicContact CD2-CE 3.64Å; F9-M40 HydrophobicContact CE2-CE 3.41Å; F9-M40 VanDerWaalsContact CE2-CE 3.41Å; F9-M40 HydrophobicContact CZ-CE 4.42Å; Y30-M40 CarbonylContact O-C 3.55Å; Y30-M40 WeakPolarHBondContact O-CA 3.35Å; H31-M40 HydrophobicContact CB-CG 4.47Å; M40-F42 HydrophobicContact CG-CD1 4.45Å; M40-V52 HydrophobicContact CB-CB 4.25Å; M40-V52 HydrophobicContact CE-CB 3.98Å; M40-V52 HydrophobicContact CE-CG1 3.85Å; M40-V52 HydrophobicContact CE-CG2 4.29Å; M40-V52 PolarHBondContact N-O 3.26Å; M40-V52 PolarHBondContact O-N 2.74Å
41V98.8Very high97.4Very high0 Ų050 Ų500%024%0.24CC..EExtended strand (participates in β ladder)trans-125.8129.5166.4-1750000109.2L29 Y30 N49 V50 L51 V120 Y124L29-V41 WeakPolarHBondContact CA-O 3.31Å; L29-V41 HydrophobicContact CB-CG1 4.4Å; L29-V41 WeakPolarHBondContact CB-O 3.46Å; L29-V41 HydrophobicContact CD1-CG1 4.18Å; L29-V41 PolarHBondContact N-O 2.87Å; Y30-V41 PolarHBondContact N-O 3.36Å; Y30-V41 PolarHBondContact O-N 3.07Å; Y30-V41 VanDerWaalsContact O-O 3.13Å; V41-N49 HydrophobicContact CG1-CB 4.49Å; V41-V50 VanDerWaalsContact CA-O 3.28Å; V41-V50 WeakPolarHBondContact CA-O 3.47Å; V41-V50 WeakPolarHBondContact CG1-O 3.2Å; V41-L51 HydrophobicContact CG2-CD1 3.84Å; V41-V120 HydrophobicContact CB-CG1 4.41Å; V41-V120 HydrophobicContact CG2-CG1 3.22Å; V41-Y124 HydrophobicContact CG1-CG 4.31Å
42F98.7Very high97.4Very high0 Ų046.9 Ų46.90%023%0.226CC..EExtended strand (participates in β ladder)trans-132.4148.4172.569.7-90.3000110.5F9 L23 V25 E27 V28 M40 N49 V50 V52F9-F42 HydrophobicContact CB-CE1 3.91Å; F9-F42 HydrophobicContact CB-CE2 4.36Å; F9-F42 HydrophobicContact CB-CZ 3.74Å; F9-F42 AromaticContact CD1-CE1 3.89Å; F9-F42 HydrophobicContact CD1-CE1 3.89Å; F9-F42 AromaticContact CD1-CZ 3.9Å; F9-F42 HydrophobicContact CD1-CZ 3.9Å; F9-F42 HydrophobicContact CD2-CE1 4.26Å; F9-F42 AromaticContact CG-CE1 3.73Å; F9-F42 HydrophobicContact CG-CE1 3.73Å; F9-F42 AromaticContact CG-CZ 3.91Å; F9-F42 HydrophobicContact CG-CZ 3.91Å; L23-F42 HydrophobicContact CB-CE2 4.22Å; L23-F42 HydrophobicContact CB-CZ 4.13Å; L23-F42 HydrophobicContact CD1-CZ 4.38Å; V25-F42 HydrophobicContact CB-CD2 4.26Å; V25-F42 HydrophobicContact CG1-CB 4.14Å; V25-F42 HydrophobicContact CG1-CD2 4.03Å; V25-F42 HydrophobicContact CG1-CG 4.35Å; V25-F42 HydrophobicContact CG2-CD2 3.82Å; V25-F42 HydrophobicContact CG2-CE2 3.95Å; V25-F42 HydrophobicContact CG2-CG 4.35Å; E27-F42 CarbonylContact O-C 3.6Å; E27-F42 VanDerWaalsContact O-CA 3.26Å; E27-F42 WeakPolarHBondContact O-CA 3.39Å; E27-F42 WeakPolarHBondContact O-CB 3.41Å; V28-F42 HydrophobicContact CG2-CB 4.47Å; M40-F42 HydrophobicContact CG-CD1 4.45Å; F42-N49 WeakPolarHBondContact O-CA 3.44Å; F42-V50 HydrophobicContact CD1-CB 4.14Å; F42-V50 HydrophobicContact CD1-CG1 4.44Å; F42-V50 HydrophobicContact CD2-CB 4.36Å; F42-V50 HydrophobicContact CD2-CG2 4.4Å; F42-V50 HydrophobicContact CE1-CB 3.74Å; F42-V50 HydrophobicContact CE1-CG1 3.66Å; F42-V50 HydrophobicContact CE1-CG2 4.43Å; F42-V50 HydrophobicContact CE2-CB 3.99Å; F42-V50 HydrophobicContact CE2-CG1 4.49Å; F42-V50 HydrophobicContact CE2-CG2 3.82Å; F42-V50 HydrophobicContact CG-CB 4.43Å; F42-V50 HydrophobicContact CZ-CB 3.65Å; F42-V50 HydrophobicContact CZ-CG1 3.69Å; F42-V50 HydrophobicContact CZ-CG2 3.84Å; F42-V50 PolarHBondContact N-O 2.6Å; F42-V50 VanDerWaalsContact N-O 3.14Å; F42-V50 PolarHBondContact O-N 2.87Å; F42-V52 HydrophobicContact CD1-CG2 4.26Å; F42-V52 HydrophobicContact CE1-CG2 3.69Å
43K98.9Very high97.4Very high71 Ų7141.6 Ų41.631%0.30920%0.204SC..EExtended strand (participates in β ladder)trans-80.1121.8166.3-172.4-179.7179.1-161.50107.8E26 E27 L29E26-K43 WeakPolarHBondContact CA-O 3.41Å; E26-K43 HydrophobicContact CB-CB 4.37Å; E26-K43 HydrophobicContact CB-CD 4.43Å; E26-K43 HydrophobicContact CB-CG 4.24Å; E26-K43 WeakPolarHBondContact CB-O 3.36Å; E26-K43 VanDerWaalsContact CD-NZ 3.29Å; E26-K43 HydrophobicContact CG-CD 4.38Å; E26-K43 PolarHBondContact N-O 2.87Å; E26-K43 WeakPolarHBondContact OE1-CE 3.28Å; E26-K43 IonicContact OE1-NZ 2.75Å; E26-K43 PolarHBondContact OE1-NZ 3.3Å; E26-K43 WeakPolarHBondContact OE2-CE 3.5Å; E26-K43 IonicContact OE2-NZ 3.28Å; E26-K43 PolarHBondContact OE2-NZ 3.39Å; E27-K43 HydrophobicContact CB-CB 4.34Å; E27-K43 PolarHBondContact N-O 3.16Å; E27-K43 PolarHBondContact O-N 2.89Å; L29-K43 HydrophobicContact CD1-CB 4.13Å; L29-K43 HydrophobicContact CD2-CB 4.44Å; L29-K43 HydrophobicContact CG-CB 4.3Å
44S98.9Very high97.3Very high2 Ų237.4 Ų37.41%0.01419%0.186CC..EExtended strand (participates in β ladder)trans-88.9159.8173.169.90000111.2E24 T46 Y47 G48E24-S44 CarbonylContact O-C 3.52Å; E24-S44 VanDerWaalsContact O-CA 3.25Å; E24-S44 WeakPolarHBondContact O-CA 3.46Å; S44-T46 VanDerWaalsContact C-N 3.29Å; S44-T46 PolarHBondContact O-N 3.26Å; S44-Y47 VanDerWaalsContact OG-C 3.25Å; S44-Y47 WeakPolarHBondContact OG-CA 3.29Å; S44-Y47 VanDerWaalsContact OG-CB 3.26Å; S44-Y47 WeakPolarHBondContact OG-CB 3.42Å; S44-Y47 PolarHBondContact OG-N 2.71Å; S44-G48 WeakPolarHBondContact CB-O 3.45Å; S44-G48 PolarHBondContact N-O 2.96Å; S44-G48 PolarHBondContact OG-N 3.34Å; S44-G48 VanDerWaalsContact OG-N 3.15Å; S44-G48 PolarHBondContact OG-O 3.24Å
45K98.7Very high97.3Very high103 Ų10336.7 Ų36.745%0.44818%0.181SC..THydrogen-bonded Turntrans-64.3-30.9177.1-68.6-68.6-176.2-175.50114E24 E26E24-K45 HydrophobicContact CB-CB 4.24Å; E24-K45 HydrophobicContact CB-CG 3.87Å; E24-K45 HydrophobicContact CG-CG 3.72Å; E24-K45 PolarHBondContact O-N 2.86Å; E26-K45 HydrophobicContact CB-CD 3.98Å; E26-K45 HydrophobicContact CG-CD 4.23Å
46T98.8Very high97.4Very high88 Ų8829.9 Ų29.954%0.5415%0.154SC..THydrogen-bonded Turntrans-138.70.7-167.560.10000115.4S44 R62S44-T46 VanDerWaalsContact C-N 3.29Å; S44-T46 PolarHBondContact O-N 3.26Å; T46-R62 WeakPolarHBondContact O-CD 3.34Å; T46-R62 PolarHBondContact O-NH1 2.77Å
47Y98.8Very high97.7Very high41 Ų4125.6 Ų25.616%0.16114%0.135CC..THydrogen-bonded Turntrans-122.66.7-179.3-75.7-103.7000113.6L23 S44 T60 E61 R62 P227 T228L23-Y47 HydrophobicContact CD2-CD2 3.63Å; L23-Y47 HydrophobicContact CD2-CE2 3.81Å; L23-Y47 HydrophobicContact CD2-CG 4.11Å; S44-Y47 VanDerWaalsContact OG-C 3.25Å; S44-Y47 WeakPolarHBondContact OG-CA 3.29Å; S44-Y47 VanDerWaalsContact OG-CB 3.26Å; S44-Y47 WeakPolarHBondContact OG-CB 3.42Å; S44-Y47 PolarHBondContact OG-N 2.71Å; Y47-T60 HydrophobicContact CD1-CG2 4.39Å; Y47-E61 PolarHBondContact O-N 2.91Å; Y47-R62 HydrophobicContact CD1-CB 3.91Å; Y47-R62 HydrophobicContact CD1-CG 4.09Å; Y47-R62 HydrophobicContact CE1-CG 4.48Å; Y47-R62 HydrophobicContact CG-CB 4.29Å; Y47-R62 PolarHBondContact O-N 3.05Å; Y47-P227 HydrophobicContact CE1-CB 4.47Å; Y47-T228 HydrophobicContact CD1-CG2 3.45Å; Y47-T228 VanDerWaalsContact CD1-CG2 3.45Å; Y47-T228 HydrophobicContact CE1-CG2 3.46Å; Y47-T228 VanDerWaalsContact CE1-CG2 3.46Å; Y47-T228 HydrophobicContact CG-CG2 4.37Å
48G98.8Very high97.9Very high24 Ų2426.4 Ų26.425%0.24714%0.139CC..EExtended strand (participates in β ladder)trans71-151.5-174.200000111.5S44S44-G48 WeakPolarHBondContact CB-O 3.45Å; S44-G48 PolarHBondContact N-O 2.96Å; S44-G48 PolarHBondContact OG-N 3.34Å; S44-G48 VanDerWaalsContact OG-N 3.15Å; S44-G48 PolarHBondContact OG-O 3.24Å
49N98.9Very high98.1Very high25 Ų2524.3 Ų24.313%0.13413%0.128CC..EExtended strand (participates in β ladder)trans-73.2140.7175.5-67.2-7.5000111.1L29 V41 F42 T60 E61 Y124 L125L29-N49 WeakPolarHBondContact CD1-OD1 3.36Å; V41-N49 HydrophobicContact CG1-CB 4.49Å; F42-N49 WeakPolarHBondContact O-CA 3.44Å; N49-T60 WeakPolarHBondContact O-CA 3.4Å; N49-E61 HydrophobicContact CB-CG 4.15Å; N49-E61 PolarHBondContact N-OE2 2.69Å; N49-E61 PolarHBondContact O-N 3.48Å; N49-E61 VanDerWaalsContact O-N 3.11Å; N49-Y124 PolarHBondContact ND2-O 3.21Å; N49-L125 HydrophobicContact CB-CD2 3.77Å
50V98.9Very high98.1Very high0 Ų024.3 Ų24.30%013%0.128CC..EExtended strand (participates in β ladder)trans-124.3124.3-175.5-177.10000108.6L23 V41 F42 V52 I57 C59 T60L23-V50 HydrophobicContact CD1-CG1 4.32Å; L23-V50 HydrophobicContact CD1-CG2 4.02Å; V41-V50 VanDerWaalsContact CA-O 3.28Å; V41-V50 WeakPolarHBondContact CA-O 3.47Å; V41-V50 WeakPolarHBondContact CG1-O 3.2Å; F42-V50 HydrophobicContact CD1-CB 4.14Å; F42-V50 HydrophobicContact CD1-CG1 4.44Å; F42-V50 HydrophobicContact CD2-CB 4.36Å; F42-V50 HydrophobicContact CD2-CG2 4.4Å; F42-V50 HydrophobicContact CE1-CB 3.74Å; F42-V50 HydrophobicContact CE1-CG1 3.66Å; F42-V50 HydrophobicContact CE1-CG2 4.43Å; F42-V50 HydrophobicContact CE2-CB 3.99Å; F42-V50 HydrophobicContact CE2-CG1 4.49Å; F42-V50 HydrophobicContact CE2-CG2 3.82Å; F42-V50 HydrophobicContact CG-CB 4.43Å; F42-V50 HydrophobicContact CZ-CB 3.65Å; F42-V50 HydrophobicContact CZ-CG1 3.69Å; F42-V50 HydrophobicContact CZ-CG2 3.84Å; F42-V50 PolarHBondContact N-O 2.6Å; F42-V50 VanDerWaalsContact N-O 3.14Å; F42-V50 PolarHBondContact O-N 2.87Å; V50-V52 HydrophobicContact CG1-CG2 3.97Å; V50-I57 HydrophobicContact CG1-CG1 4.44Å; V50-I57 HydrophobicContact CG1-CG2 4.05Å; V50-C59 WeakPolarHBondContact CA-O 3.12Å; V50-T60 HydrophobicContact CB-CG2 4.45Å; V50-T60 HydrophobicContact CG1-CG2 4.09Å; V50-T60 HydrophobicContact CG2-CG2 3.9Å
51L98.8Very high98.2Very high3 Ų327.7 Ų27.72%0.01614%0.144CC..EExtended strand (participates in β ladder)trans-92.7131.2169.6174.765000109.3V39 V41 L53 Q58 C59 V117 L125V39-L51 HydrophobicContact CG1-CD1 4.24Å; V41-L51 HydrophobicContact CG2-CD1 3.84Å; L51-L53 HydrophobicContact CD1-CD2 4.11Å; L51-L53 HydrophobicContact CG-CG 4.46Å; L51-Q58 HydrophobicContact CB-CB 4.48Å; L51-Q58 HydrophobicContact CD2-CB 4.1Å; L51-Q58 HydrophobicContact CD2-CG 4.43Å; L51-Q58 HydrophobicContact CG-CB 4.14Å; L51-Q58 HydrophobicContact CG-CG 4.3Å; L51-Q58 PolarHBondContact O-N 3.41Å; L51-C59 PolarHBondContact N-O 3.02Å; L51-C59 VanDerWaalsContact N-O 3.07Å; L51-V117 HydrophobicContact CD2-CG1 4.26Å; L51-L125 HydrophobicContact CB-CD1 3.8Å; L51-L125 HydrophobicContact CD2-CD1 4.15Å
52V98.2Very high98.2Very high0 Ų034.2 Ų34.20%017%0.168CC..EExtended strand (participates in β ladder)trans-127.6129.2176.9179.90000108.8F9 M40 F42 V50 G55 V56 I57F9-V52 HydrophobicContact CE1-CG1 4.48Å; F9-V52 HydrophobicContact CE1-CG2 4.02Å; F9-V52 HydrophobicContact CE2-CG1 3.88Å; F9-V52 HydrophobicContact CE2-CG2 4.22Å; F9-V52 HydrophobicContact CZ-CB 4.35Å; F9-V52 HydrophobicContact CZ-CG1 3.56Å; F9-V52 HydrophobicContact CZ-CG2 3.81Å; M40-V52 HydrophobicContact CB-CB 4.25Å; M40-V52 HydrophobicContact CE-CB 3.98Å; M40-V52 HydrophobicContact CE-CG1 3.85Å; M40-V52 HydrophobicContact CE-CG2 4.29Å; M40-V52 PolarHBondContact N-O 3.26Å; M40-V52 PolarHBondContact O-N 2.74Å; F42-V52 HydrophobicContact CD1-CG2 4.26Å; F42-V52 HydrophobicContact CE1-CG2 3.69Å; V50-V52 HydrophobicContact CG1-CG2 3.97Å; V52-G55 VanDerWaalsContact CG1-CA 3.42Å; V52-V56 VanDerWaalsContact CA-O 3.29Å; V52-V56 WeakPolarHBondContact CA-O 3.43Å; V52-I57 HydrophobicContact CG2-CG1 4.35Å
53L96.4Very high98.2Very high17 Ų1734.5 Ų34.59%0.08917%0.17CC..EExtended strand (participates in β ladder)trans-120.1127174.5-60.4-179.9000109.1Q37 D38 V39 L51 G55 V56 Q58 V117Q37-L53 HydrophobicContact CG-CD2 4.24Å; D38-L53 CarbonylContact O-C 3.44Å; D38-L53 VanDerWaalsContact O-CA 3.32Å; D38-L53 WeakPolarHBondContact O-CA 3.21Å; V39-L53 HydrophobicContact CB-CD2 4.14Å; V39-L53 HydrophobicContact CG1-CD2 3.95Å; V39-L53 HydrophobicContact CG2-CD2 3.8Å; L51-L53 HydrophobicContact CD1-CD2 4.11Å; L51-L53 HydrophobicContact CG-CG 4.46Å; L53-G55 PolarHBondContact O-N 3.14Å; L53-V56 PolarHBondContact N-O 2.94Å; L53-V56 PolarHBondContact O-N 3.43Å; L53-Q58 HydrophobicContact CB-CG 3.84Å; L53-Q58 HydrophobicContact CD1-CG 3.64Å; L53-Q58 HydrophobicContact CG-CG 3.52Å; L53-V117 HydrophobicContact CD1-CG2 4.22Å; L53-V117 HydrophobicContact CD2-CG2 3.95Å
54D95Very high98.2Very high76 Ų7631.7 Ų31.741%0.40616%0.157SC..THydrogen-bonded Turntrans5027.4-176.5-70.3-26.7000114.6R3 Q37 D38R3-D54 PolarHBondContact NH2-O 3.28Å; Q37-D54 WeakPolarHBondContact CB-OD1 3.45Å; D38-D54 PolarHBondContact N-OD1 3.46Å; D38-D54 PolarHBondContact O-N 2.85Å
55G95.2Very high98.2Very high0 Ų033.7 Ų33.70%017%0.166CC..THydrogen-bonded Turntrans8211.6-178.800000115.7R3 V52 L53R3-G55 PolarHBondContact NH1-O 3.15Å; V52-G55 VanDerWaalsContact CG1-CA 3.42Å; L53-G55 PolarHBondContact O-N 3.14Å
56V96.8Very high98.2Very high20 Ų2029 Ų2912%0.12115%0.146CC..EExtended strand (participates in β ladder)trans-106.4132.1171.8178.40000110E11 W16 V52 L53 Q58 D164E11-V56 WeakPolarHBondContact OE1-CA 3.39Å; E11-V56 WeakPolarHBondContact OE1-CG1 3.49Å; W16-V56 HydrophobicContact CH2-CG1 3.93Å; W16-V56 HydrophobicContact CH2-CG2 3.94Å; W16-V56 HydrophobicContact CZ2-CG1 4.48Å; W16-V56 HydrophobicContact CZ2-CG2 4.29Å; V52-V56 VanDerWaalsContact CA-O 3.29Å; V52-V56 WeakPolarHBondContact CA-O 3.43Å; L53-V56 PolarHBondContact N-O 2.94Å; L53-V56 PolarHBondContact O-N 3.43Å; V56-Q58 PolarHBondContact O-N 3.46Å; V56-Q58 PolarHBondContact O-NE2 2.91Å; V56-D164 WeakPolarHBondContact CG1-OD2 3.42Å
57I98.3Very high98.2Very high3 Ų324.9 Ų24.92%0.01512%0.121CC..EExtended strand (participates in β ladder)trans-68.6119.2176.6-62170.7000108.8F9 E11 L23 V50 V52 T60F9-I57 HydrophobicContact CD1-CD1 4.46Å; F9-I57 HydrophobicContact CD1-CG1 4.46Å; F9-I57 HydrophobicContact CE1-CD1 4.02Å; F9-I57 HydrophobicContact CE1-CG1 3.68Å; E11-I57 HydrophobicContact CB-CD1 4.25Å; E11-I57 HydrophobicContact CB-CG1 4.39Å; E11-I57 PolarHBondContact OE1-N 2.92Å; L23-I57 HydrophobicContact CD1-CD1 3.91Å; L23-I57 HydrophobicContact CG-CD1 4.44Å; V50-I57 HydrophobicContact CG1-CG1 4.44Å; V50-I57 HydrophobicContact CG1-CG2 4.05Å; V52-I57 HydrophobicContact CG2-CG1 4.35Å; I57-T60 HydrophobicContact CG2-CG2 4.12Å
58Q98.5Very high98.2Very high31 Ų3123 Ų2315%0.14511%0.114CC..EExtended strand (participates in β ladder)trans-90.2-41.2176.9-56.4-53.6-59.400111.8L51 L53 V56 Y229L51-Q58 HydrophobicContact CB-CB 4.48Å; L51-Q58 HydrophobicContact CD2-CB 4.1Å; L51-Q58 HydrophobicContact CD2-CG 4.43Å; L51-Q58 HydrophobicContact CG-CB 4.14Å; L51-Q58 HydrophobicContact CG-CG 4.3Å; L51-Q58 PolarHBondContact O-N 3.41Å; L53-Q58 HydrophobicContact CB-CG 3.84Å; L53-Q58 HydrophobicContact CD1-CG 3.64Å; L53-Q58 HydrophobicContact CG-CG 3.52Å; V56-Q58 PolarHBondContact O-N 3.46Å; V56-Q58 PolarHBondContact O-NE2 2.91Å; Q58-Y229 VanDerWaalsContact O-CE1 3.24Å; Q58-Y229 WeakPolarHBondContact O-CE1 3.46Å; Q58-Y229 PolarHBondContact O-OH 3.13Å
59C98.8Very high98.2Very high2 Ų222 Ų221%0.01410%0.102CC..EExtended strand (participates in β ladder)trans-162.6154.217960.80000111.5V50 L51 E64 M128V50-C59 WeakPolarHBondContact CA-O 3.12Å; L51-C59 PolarHBondContact N-O 3.02Å; L51-C59 VanDerWaalsContact N-O 3.07Å; C59-E64 HydrophobicContact CB-CB 4.28Å; C59-M128 HydrophobicContact CB-CE 4.23Å; C59-M128 HydrophobicContact CB-SD 4Å; C59-M128 WeakPolarHBondContact SG-CE 3.17Å
60T98.9Very high98.2Very high0 Ų020.8 Ų20.80%010%0.096CC..EExtended strand (participates in β ladder)trans-124.6147.2164.5860000110.2L23 Y47 N49 V50 I57 R62 D63 E64 T228L23-T60 HydrophobicContact CD1-CG2 4.23Å; Y47-T60 HydrophobicContact CD1-CG2 4.39Å; N49-T60 WeakPolarHBondContact O-CA 3.4Å; V50-T60 HydrophobicContact CB-CG2 4.45Å; V50-T60 HydrophobicContact CG1-CG2 4.09Å; V50-T60 HydrophobicContact CG2-CG2 3.9Å; I57-T60 HydrophobicContact CG2-CG2 4.12Å; T60-R62 PolarHBondContact O-N 3.49Å; T60-R62 PolarHBondContact OG1-N 3.21Å; T60-D63 PolarHBondContact O-N 3.2Å; T60-D63 PolarHBondContact OG1-OD1 3.23Å; T60-E64 VanDerWaalsContact O-CB 3.28Å; T60-E64 WeakPolarHBondContact O-CB 3.46Å; T60-E64 WeakPolarHBondContact O-CG 3.43Å; T60-E64 PolarHBondContact O-N 3.47Å; T60-T228 HydrophobicContact CG2-CG2 3.47Å; T60-T228 VanDerWaalsContact CG2-CG2 3.47Å
61E98.9Very high98.2Very high76 Ų7620.8 Ų20.836%0.35510%0.096SC..THydrogen-bonded Turntrans-58.6-23.1177.6-69.7-175.8124.800113.4Y47 N49 L125Y47-E61 PolarHBondContact O-N 2.91Å; N49-E61 HydrophobicContact CB-CG 4.15Å; N49-E61 PolarHBondContact N-OE2 2.69Å; N49-E61 PolarHBondContact O-N 3.48Å; N49-E61 VanDerWaalsContact O-N 3.11Å; E61-L125 HydrophobicContact CG-CD2 4.28Å
62R98.9Very high98.2Very high136 Ų13620.6 Ų20.651%0.51310%0.095SC..THydrogen-bonded Turntrans-76.5-33.6-176.8174.4167.8176.3-173.3-3.2113.8T46 Y47 T60 F65T46-R62 WeakPolarHBondContact O-CD 3.34Å; T46-R62 PolarHBondContact O-NH1 2.77Å; Y47-R62 HydrophobicContact CD1-CB 3.91Å; Y47-R62 HydrophobicContact CD1-CG 4.09Å; Y47-R62 HydrophobicContact CE1-CG 4.48Å; Y47-R62 HydrophobicContact CG-CB 4.29Å; Y47-R62 PolarHBondContact O-N 3.05Å; T60-R62 PolarHBondContact O-N 3.49Å; T60-R62 PolarHBondContact OG1-N 3.21Å; R62-F65 WeakPolarHBondContact O-CE1 3.18Å
63D98.8Very high98.3Very high7 Ų720.6 Ų20.64%0.03710%0.095CC..THydrogen-bonded Turntrans-133.3-3.3-170.563.1-0.8000115.6T60 F65 A66 I226 P227 T228T60-D63 PolarHBondContact O-N 3.2Å; T60-D63 PolarHBondContact OG1-OD1 3.23Å; D63-F65 PolarHBondContact O-N 3.27Å; D63-F65 VanDerWaalsContact O-N 3.09Å; D63-A66 WeakPolarHBondContact O-CB 3.13Å; D63-A66 PolarHBondContact O-N 3.18Å; D63-A66 VanDerWaalsContact O-N 3.08Å; D63-I226 HydrophobicContact CB-CG1 4.36Å; D63-P227 WeakPolarHBondContact OD2-CD 3.44Å; D63-T228 PolarHBondContact OD1-OG1 2.72Å; D63-T228 WeakPolarHBondContact OD2-CG2 3.26Å; D63-T228 PolarHBondContact OD2-N 3.15Å; D63-T228 VanDerWaalsContact OD2-N 3.07Å; D63-T228 PolarHBondContact OD2-OG1 2.87Å; D63-T228 VanDerWaalsContact OD2-OG1 3.1Å
64E98.8Very high98.4Very high11 Ų1119.8 Ų19.85%0.0519%0.091CC..Hα-helixtrans-44.7-46.9175.861.389.9-169.700112C59 T60 A66 Y67 Q68 R97 M128C59-E64 HydrophobicContact CB-CB 4.28Å; T60-E64 VanDerWaalsContact O-CB 3.28Å; T60-E64 WeakPolarHBondContact O-CB 3.46Å; T60-E64 WeakPolarHBondContact O-CG 3.43Å; T60-E64 PolarHBondContact O-N 3.47Å; E64-A66 PolarHBondContact O-N 2.85Å; E64-Y67 PolarHBondContact O-N 2.96Å; E64-Q68 VanDerWaalsContact CA-OE1 3.31Å; E64-Q68 PolarHBondContact O-N 3.08Å; E64-Q68 PolarHBondContact O-OE1 2.94Å; E64-Q68 WeakPolarHBondContact OE2-CB 3.4Å; E64-Q68 VanDerWaalsContact OE2-CG 3.3Å; E64-Q68 WeakPolarHBondContact OE2-CG 3.32Å; E64-R97 IonicContact OE1-CZ 2.6Å; E64-R97 IonicContact OE1-NH1 2.68Å; E64-R97 PolarHBondContact OE1-NH1 3.26Å; E64-R97 IonicContact OE1-NH2 2.94Å; E64-R97 PolarHBondContact OE1-NH2 3.14Å; E64-R97 IonicContact OE2-CZ 2.72Å; E64-R97 IonicContact OE2-NH1 2.76Å; E64-R97 PolarHBondContact OE2-NH1 3.06Å; E64-R97 IonicContact OE2-NH2 2.9Å; E64-R97 PolarHBondContact OE2-NH2 2.85Å; E64-M128 HydrophobicContact CB-SD 3.66Å; E64-M128 HydrophobicContact CG-CE 4.43Å; E64-M128 HydrophobicContact CG-CG 3.96Å; E64-M128 HydrophobicContact CG-SD 3.59Å; E64-M128 VanDerWaalsContact CG-SD 3.59Å
65F98.8Very high98.6Very high45 Ų4516.2 Ų16.220%0.1977%0.072CC..Hα-helixtrans-51.4-28.1-174.465.8-102000114.1R62 D63 E69 K265 Y266R62-F65 WeakPolarHBondContact O-CE1 3.18Å; D63-F65 PolarHBondContact O-N 3.27Å; D63-F65 VanDerWaalsContact O-N 3.09Å; F65-E69 WeakPolarHBondContact O-CB 3.38Å; F65-E69 WeakPolarHBondContact O-CG 3.4Å; F65-E69 PolarHBondContact O-N 2.78Å; F65-K265 HydrophobicContact CB-CB 4.42Å; F65-K265 HydrophobicContact CB-CD 4.15Å; F65-K265 HydrophobicContact CD1-CB 4.43Å; F65-K265 HydrophobicContact CD1-CD 3.68Å; F65-K265 HydrophobicContact CD2-CB 3.43Å; F65-K265 VanDerWaalsContact CD2-CB 3.43Å; F65-K265 HydrophobicContact CD2-CD 4.16Å; F65-K265 HydrophobicContact CD2-CG 4.46Å; F65-K265 HydrophobicContact CE1-CD 4.04Å; F65-K265 HydrophobicContact CE2-CB 3.69Å; F65-K265 HydrophobicContact CG-CB 3.86Å; F65-K265 HydrophobicContact CG-CD 3.73Å; F65-K265 HydrophobicContact CG-CG 4.45Å; F65-K265 HydrophobicContact CZ-CB 4.28Å; F65-K265 HydrophobicContact CZ-CD 4.48Å; F65-Y266 HydrophobicContact CE2-CD2 4.45Å
66A98.8Very high98.7Very high4 Ų416.3 Ų16.33%0.0337%0.072CC..Hα-helixtrans-67.1-36.1176.800000113.8D63 E64 M70 S224 T225 I226 Y266D63-A66 WeakPolarHBondContact O-CB 3.13Å; D63-A66 PolarHBondContact O-N 3.18Å; D63-A66 VanDerWaalsContact O-N 3.08Å; E64-A66 PolarHBondContact O-N 2.85Å; A66-M70 WeakPolarHBondContact O-CB 3.36Å; A66-M70 WeakPolarHBondContact O-CG 3.49Å; A66-S224 PolarHBondContact O-OG 3.37Å; A66-T225 WeakPolarHBondContact CB-O 3.24Å; A66-I226 HydrophobicContact CB-CB 4.42Å; A66-Y266 HydrophobicContact CB-CD2 3.5Å; A66-Y266 HydrophobicContact CB-CE2 3.83Å; A66-Y266 HydrophobicContact CB-CG 3.95Å
67Y98.9Very high98.8Very high1 Ų115.4 Ų15.40%0.0047%0.067CC..Hα-helixtrans-83.5-52.7174.3173.1-95.9000110.6E64 E69 M70 I71 D161 Q194 Y229 I234 F236E64-Y67 PolarHBondContact O-N 2.96Å; Y67-E69 VanDerWaalsContact C-N 3.33Å; Y67-E69 PolarHBondContact O-N 3.29Å; Y67-M70 PolarHBondContact O-N 2.83Å; Y67-I71 HydrophobicContact CD1-CG2 4.37Å; Y67-I71 HydrophobicContact CE1-CD1 4.27Å; Y67-I71 HydrophobicContact CE1-CG2 4.09Å; Y67-I71 HydrophobicContact CE2-CD1 4.06Å; Y67-I71 WeakPolarHBondContact O-CG2 3.38Å; Y67-I71 PolarHBondContact O-N 2.91Å; Y67-I71 WeakPolarHBondContact OH-CD1 3.43Å; Y67-D161 WeakPolarHBondContact CE1-OD1 3.43Å; Y67-D161 VanDerWaalsContact CZ-OD1 3.27Å; Y67-D161 PolarHBondContact OH-OD1 3.38Å; Y67-Q194 HydrophobicContact CE2-CG 4.25Å; Y67-Y229 AromaticContact CD2-CE2 3.82Å; Y67-Y229 HydrophobicContact CD2-CE2 3.82Å; Y67-Y229 HydrophobicContact CE2-CE2 4.26Å; Y67-Y229 HydrophobicContact CG-CE2 4.08Å; Y67-I234 HydrophobicContact CD2-CG2 3.65Å; Y67-I234 HydrophobicContact CE2-CG2 4.11Å; Y67-F236 AromaticContact CD2-CE1 3.6Å; Y67-F236 HydrophobicContact CD2-CE1 3.6Å; Y67-F236 AromaticContact CD2-CZ 3.92Å; Y67-F236 HydrophobicContact CD2-CZ 3.92Å; Y67-F236 HydrophobicContact CE2-CD1 4.48Å; Y67-F236 AromaticContact CE2-CE1 3.58Å; Y67-F236 HydrophobicContact CE2-CE1 3.58Å; Y67-F236 HydrophobicContact CE2-CZ 4.35Å
68Q98.9Very high98.9Very high2 Ų215.5 Ų15.51%0.0097%0.068CC..Hα-helixtrans-56.9-43.7-176.4-86.567.412.100112.1E64 A72 D92 V95 E98E64-Q68 VanDerWaalsContact CA-OE1 3.31Å; E64-Q68 PolarHBondContact O-N 3.08Å; E64-Q68 PolarHBondContact O-OE1 2.94Å; E64-Q68 WeakPolarHBondContact OE2-CB 3.4Å; E64-Q68 VanDerWaalsContact OE2-CG 3.3Å; E64-Q68 WeakPolarHBondContact OE2-CG 3.32Å; Q68-A72 VanDerWaalsContact O-CB 3.31Å; Q68-A72 WeakPolarHBondContact O-CB 3.26Å; Q68-A72 PolarHBondContact O-N 3.38Å; Q68-D92 PolarHBondContact NE2-OD1 2.81Å; Q68-V95 HydrophobicContact CG-CG2 4.38Å; Q68-E98 HydrophobicContact CB-CG 4.22Å
69E98.9Very high98.9Very high2 Ų215 Ų151%0.0097%0.065CC..Hα-helixtrans-69.2-39.9177.2-66.3176.4-162.600111.8F65 Y67 N73 E98 L264 K265 Y266 Y267F65-E69 WeakPolarHBondContact O-CB 3.38Å; F65-E69 WeakPolarHBondContact O-CG 3.4Å; F65-E69 PolarHBondContact O-N 2.78Å; Y67-E69 VanDerWaalsContact C-N 3.33Å; Y67-E69 PolarHBondContact O-N 3.29Å; E69-N73 WeakPolarHBondContact O-CB 3.44Å; E69-N73 PolarHBondContact O-N 3.21Å; E69-N73 PolarHBondContact O-ND2 2.85Å; E69-E98 HydrophobicContact CG-CG 4.31Å; E69-L264 HydrophobicContact CG-CD2 4.05Å; E69-K265 PolarHBondContact OE1-N 3.45Å; E69-K265 PolarHBondContact OE2-N 3.28Å; E69-K265 VanDerWaalsContact OE2-N 3.12Å; E69-Y266 WeakPolarHBondContact OE2-CA 3.4Å; E69-Y266 PolarHBondContact OE2-N 2.88Å; E69-Y267 PolarHBondContact OE2-N 2.84Å
70M98.9Very high98.8Very high0 Ų019.6 Ų19.60%010%0.095CC..Hα-helixtrans-71-50-176.6-70.8-65.9-62.300111.9A66 Y67 A72 N73 L74 F236 Y266 Y267 I271 S275A66-M70 WeakPolarHBondContact O-CB 3.36Å; A66-M70 WeakPolarHBondContact O-CG 3.49Å; Y67-M70 PolarHBondContact O-N 2.83Å; M70-A72 PolarHBondContact O-N 2.77Å; M70-N73 PolarHBondContact O-N 2.95Å; M70-L74 HydrophobicContact CB-CD1 4.42Å; M70-L74 HydrophobicContact CE-CD1 3.94Å; M70-L74 HydrophobicContact CE-CD2 3.95Å; M70-L74 HydrophobicContact CE-CG 3.96Å; M70-L74 VanDerWaalsContact O-CB 3.25Å; M70-L74 WeakPolarHBondContact O-CB 3.37Å; M70-L74 WeakPolarHBondContact O-CD1 3.11Å; M70-L74 WeakPolarHBondContact O-CG 3.45Å; M70-L74 PolarHBondContact O-N 2.87Å; M70-F236 HydrophobicContact CB-CE2 3.75Å; M70-F236 HydrophobicContact CB-CZ 3.73Å; M70-Y266 HydrophobicContact CG-CD1 3.56Å; M70-Y266 HydrophobicContact CG-CE1 3.65Å; M70-Y266 HydrophobicContact SD-CD1 3.68Å; M70-Y266 HydrophobicContact SD-CE1 3.72Å; M70-Y267 HydrophobicContact SD-CD2 3.69Å; M70-I271 HydrophobicContact CE-CG2 4.32Å; M70-I271 HydrophobicContact SD-CG2 3.84Å; M70-S275 WeakPolarHBondContact CE-OG 3.41Å
71I98.9Very high98.7Very high0 Ų020.9 Ų20.90%011%0.109CC..Hα-helixtrans-63.5-29.3-178.3-160170.3000112.3Y67 P75 V95 I159 D161 F236Y67-I71 HydrophobicContact CD1-CG2 4.37Å; Y67-I71 HydrophobicContact CE1-CD1 4.27Å; Y67-I71 HydrophobicContact CE1-CG2 4.09Å; Y67-I71 HydrophobicContact CE2-CD1 4.06Å; Y67-I71 WeakPolarHBondContact O-CG2 3.38Å; Y67-I71 PolarHBondContact O-N 2.91Å; Y67-I71 WeakPolarHBondContact OH-CD1 3.43Å; I71-P75 WeakPolarHBondContact O-CD 3.34Å; I71-P75 VanDerWaalsContact O-CG 3.3Å; I71-P75 WeakPolarHBondContact O-CG 3.35Å; I71-V95 HydrophobicContact CG2-CB 4.48Å; I71-V95 HydrophobicContact CG2-CG1 4.29Å; I71-V95 HydrophobicContact CG2-CG2 3.41Å; I71-V95 VanDerWaalsContact CG2-CG2 3.41Å; I71-I159 HydrophobicContact CD1-CG2 3.95Å; I71-I159 HydrophobicContact CG1-CG2 3.84Å; I71-D161 HydrophobicContact CD1-CB 4.42Å; I71-F236 HydrophobicContact CB-CD1 3.93Å; I71-F236 HydrophobicContact CB-CE1 3.64Å; I71-F236 HydrophobicContact CD1-CD1 4.16Å; I71-F236 HydrophobicContact CD1-CE1 4.28Å; I71-F236 HydrophobicContact CG1-CD1 3.83Å; I71-F236 HydrophobicContact CG1-CE1 4.02Å
72A98.9Very high98.7Very high0 Ų017.5 Ų17.50%09%0.093CC..Hα-helixtrans-80.1-51.6173.800000112.8Q68 M70 P75 L76 V95 E98 V99Q68-A72 VanDerWaalsContact O-CB 3.31Å; Q68-A72 WeakPolarHBondContact O-CB 3.26Å; Q68-A72 PolarHBondContact O-N 3.38Å; M70-A72 PolarHBondContact O-N 2.77Å; A72-P75 WeakPolarHBondContact O-CD 3.41Å; A72-P75 WeakPolarHBondContact O-CG 3.09Å; A72-L76 HydrophobicContact CB-CD1 4.47Å; A72-L76 WeakPolarHBondContact O-CB 3.14Å; A72-L76 VanDerWaalsContact O-CD1 3.24Å; A72-L76 WeakPolarHBondContact O-CD1 3.46Å; A72-L76 WeakPolarHBondContact O-CG 3.33Å; A72-L76 PolarHBondContact O-N 2.86Å; A72-V95 HydrophobicContact CB-CG1 4.48Å; A72-E98 HydrophobicContact CB-CB 3.51Å; A72-E98 HydrophobicContact CB-CG 4.45Å; A72-V99 HydrophobicContact CB-CG2 4.16Å
73N98.9Very high98.7Very high0 Ų015.5 Ų15.50%09%0.088CC..Hα-helixtrans-81-25.7-169.3-70-75.3000113.8E69 M70 C77 H102 Y267E69-N73 WeakPolarHBondContact O-CB 3.44Å; E69-N73 PolarHBondContact O-N 3.21Å; E69-N73 PolarHBondContact O-ND2 2.85Å; M70-N73 PolarHBondContact O-N 2.95Å; N73-C77 WeakPolarHBondContact O-CB 3.12Å; N73-C77 PolarHBondContact O-N 2.95Å; N73-C77 PolarHBondContact O-SG 3.29Å; N73-H102 PolarHBondContact OD1-CE1 3.23Å; N73-H102 PolarHBondContact OD1-NE2 3.41Å; N73-Y267 HydrophobicContact CB-CD1 3.69Å; N73-Y267 HydrophobicContact CB-CD2 3.44Å; N73-Y267 VanDerWaalsContact CB-CD2 3.44Å; N73-Y267 HydrophobicContact CB-CE1 3.72Å; N73-Y267 HydrophobicContact CB-CE2 3.47Å; N73-Y267 VanDerWaalsContact CB-CE2 3.47Å; N73-Y267 HydrophobicContact CB-CG 3.55Å
74L98.9Very high98.7Very high0 Ų019.1 Ų19.10%010%0.104CC..Hα-helixtrans-53.9-60.5172.3-74.6168.9000111M70 S78 A222 F236 L238 F276M70-L74 HydrophobicContact CB-CD1 4.42Å; M70-L74 HydrophobicContact CE-CD1 3.94Å; M70-L74 HydrophobicContact CE-CD2 3.95Å; M70-L74 HydrophobicContact CE-CG 3.96Å; M70-L74 VanDerWaalsContact O-CB 3.25Å; M70-L74 WeakPolarHBondContact O-CB 3.37Å; M70-L74 WeakPolarHBondContact O-CD1 3.11Å; M70-L74 WeakPolarHBondContact O-CG 3.45Å; M70-L74 PolarHBondContact O-N 2.87Å; L74-S78 WeakPolarHBondContact O-CB 3.33Å; L74-S78 PolarHBondContact O-N 3.2Å; L74-S78 PolarHBondContact O-OG 3.02Å; L74-A222 HydrophobicContact CD1-CB 3.81Å; L74-A222 HydrophobicContact CD2-CB 4.3Å; L74-F236 HydrophobicContact CD1-CB 4.12Å; L74-F236 HydrophobicContact CD1-CD2 3.5Å; L74-F236 VanDerWaalsContact CD1-CD2 3.5Å; L74-F236 HydrophobicContact CD1-CE2 4.11Å; L74-F236 HydrophobicContact CD1-CG 3.9Å; L74-L238 HydrophobicContact CB-CD2 4.03Å; L74-L238 HydrophobicContact CD1-CD1 4.33Å; L74-F276 HydrophobicContact CD2-CE2 3.92Å; L74-F276 HydrophobicContact CD2-CZ 3.98Å
75P98.8Very high98.7Very high0 Ų018.6 Ų18.60%010%0.101CC..Hα-helixtrans-68.8-38.4179.727.9-36.4000113.3I71 A72 C77 S78 H79 I157 I159 I190 C192 L238I71-P75 WeakPolarHBondContact O-CD 3.34Å; I71-P75 VanDerWaalsContact O-CG 3.3Å; I71-P75 WeakPolarHBondContact O-CG 3.35Å; A72-P75 WeakPolarHBondContact O-CD 3.41Å; A72-P75 WeakPolarHBondContact O-CG 3.09Å; P75-C77 PolarHBondContact O-N 3.06Å; P75-S78 PolarHBondContact O-N 3.17Å; P75-H79 PolarHBondContact O-N 3.34Å; P75-H79 VanDerWaalsContact O-N 3.17Å; P75-I157 HydrophobicContact CB-CD1 4.19Å; P75-I157 HydrophobicContact CB-CG2 3.87Å; P75-I157 HydrophobicContact CG-CG2 4.13Å; P75-I159 HydrophobicContact CG-CD1 4.25Å; P75-I159 HydrophobicContact CG-CG1 4.14Å; P75-I190 HydrophobicContact CB-CG2 3.77Å; P75-C192 HydrophobicContact CB-CB 3.83Å; P75-C192 HydrophobicContact CG-CB 3.53Å; P75-L238 HydrophobicContact CB-CD2 4.49Å
76L98.9Very high98.7Very high3 Ų316.4 Ų16.42%0.0169%0.092CC..Hα-helixtrans-66.1-38.4-177.4-72.1168.5000112.4A72 P82 V85 V99 H102 V105 I157A72-L76 HydrophobicContact CB-CD1 4.47Å; A72-L76 WeakPolarHBondContact O-CB 3.14Å; A72-L76 VanDerWaalsContact O-CD1 3.24Å; A72-L76 WeakPolarHBondContact O-CD1 3.46Å; A72-L76 WeakPolarHBondContact O-CG 3.33Å; A72-L76 PolarHBondContact O-N 2.86Å; L76-P82 HydrophobicContact CD2-CB 3.86Å; L76-P82 HydrophobicContact CD2-CG 3.69Å; L76-V85 HydrophobicContact CD2-CG2 4.05Å; L76-V99 HydrophobicContact CD1-CB 4.44Å; L76-V99 HydrophobicContact CD1-CG2 4.12Å; L76-H102 VanDerWaalsContact CD1-CD2 3.41Å; L76-H102 WeakPolarHBondContact CD1-CD2 3.37Å; L76-V105 HydrophobicContact CD2-CG2 3.86Å; L76-I157 HydrophobicContact CD2-CG1 4.11Å
77C98.8Very high98.7Very high0 Ų016.2 Ų16.20%09%0.09CC..Hα-helixtrans-84.1-12178.7-60.60000113.4N73 P75 P250 V251 K252 Y267N73-C77 WeakPolarHBondContact O-CB 3.12Å; N73-C77 PolarHBondContact O-N 2.95Å; N73-C77 PolarHBondContact O-SG 3.29Å; P75-C77 PolarHBondContact O-N 3.06Å; C77-P250 HydrophobicContact CB-CB 4.05Å; C77-P250 CarbonylContact O-C 3.58Å; C77-V251 WeakPolarHBondContact O-CG1 3.5Å; C77-V251 PolarHBondContact O-N 3.37Å; C77-K252 WeakPolarHBondContact CB-O 3.3Å; C77-K252 PolarHBondContact O-N 2.97Å; C77-Y267 WeakPolarHBondContact CB-OH 3.4Å; C77-Y267 PolarHBondContact SG-OH 3.01Å
78S98.8Very high98.7Very high6 Ų616.4 Ų16.44%0.0429%0.091CC..Hα-helixtrans-91.1-9.2171.5-59.40000113.5L74 P75 I190 V251 H272L74-S78 WeakPolarHBondContact O-CB 3.33Å; L74-S78 PolarHBondContact O-N 3.2Å; L74-S78 PolarHBondContact O-OG 3.02Å; P75-S78 PolarHBondContact O-N 3.17Å; S78-I190 WeakPolarHBondContact O-CD1 3.37Å; S78-V251 VanDerWaalsContact C-CG1 3.44Å; S78-V251 WeakPolarHBondContact O-CG1 3.47Å; S78-H272 PolarHBondContact OG-CE1 3.19Å
79H98.7Very high98.6Very high19 Ų1916.9 Ų16.99%0.08810%0.097CC..SBendtrans-101.9134175.1-167.2-84.5000111.2P75 G81 P82 I157 I190 V251P75-H79 PolarHBondContact O-N 3.34Å; P75-H79 VanDerWaalsContact O-N 3.17Å; H79-G81 VanDerWaalsContact C-N 3.29Å; H79-G81 VanDerWaalsContact ND1-C 3.27Å; H79-G81 PolarHBondContact ND1-N 3.09Å; H79-G81 PolarHBondContact O-N 3.43Å; H79-P82 HydrophobicContact CB-CB 4.23Å; H79-P82 HydrophobicContact CB-CG 4.34Å; H79-P82 WeakPolarHBondContact ND1-CA 3.5Å; H79-I157 HydrophobicContact CB-CD1 3.66Å; H79-I190 HydrophobicContact CB-CD1 3.98Å; H79-V251 VanDerWaalsContact C-CG1 3.49Å
80P97.6Very high98.5Very high99 Ų9917 Ų1764%0.64310%0.099SC*.SBendtrans-71.5-20.2-173.127.3-35.5000114.4V251P80-V251 HydrophobicContact CB-CG1 4.49Å; P80-V251 HydrophobicContact CB-CG2 4.47Å
81G97.4Very high98.4Very high28 Ų2817.2 Ų17.229%0.28910%0.101SC..SBendtrans-164.767.9178.400000114H79 K83H79-G81 VanDerWaalsContact C-N 3.29Å; H79-G81 VanDerWaalsContact ND1-C 3.27Å; H79-G81 PolarHBondContact ND1-N 3.09Å; H79-G81 PolarHBondContact O-N 3.43Å; G81-K83 PolarHBondContact O-N 3.43Å
82P98Very high98.4Very high4 Ų417.9 Ų17.93%0.02610%0.104CC..  trans-72.4124.3-177.430.4-33.9000110.9L76 H79 L104 V105 I157L76-P82 HydrophobicContact CD2-CB 3.86Å; L76-P82 HydrophobicContact CD2-CG 3.69Å; H79-P82 HydrophobicContact CB-CB 4.23Å; H79-P82 HydrophobicContact CB-CG 4.34Å; H79-P82 WeakPolarHBondContact ND1-CA 3.5Å; P82-L104 CarbonylContact O-C 3.14Å; P82-L104 VanDerWaalsContact O-O 3.09Å; P82-V105 PolarHBondContact O-N 3.11Å; P82-I157 HydrophobicContact CB-CD1 4.29Å; P82-I157 HydrophobicContact CB-CG1 3.66Å
83K98.8Very high98.4Very high94 Ų9417.9 Ų17.941%0.40910%0.104SC..  trans-113.9-40.8-179.4-65.3178.2169.2-1290113.3G81 L104 E106 S107 D156G81-K83 PolarHBondContact O-N 3.43Å; K83-L104 WeakPolarHBondContact CA-O 3.35Å; K83-E106 HydrophobicContact CB-CG 4.35Å; K83-E106 WeakPolarHBondContact CD-OE1 3.46Å; K83-E106 WeakPolarHBondContact CE-OE1 3.19Å; K83-E106 HydrophobicContact CG-CG 4.46Å; K83-E106 IonicContact NZ-OE1 2.66Å; K83-E106 PolarHBondContact NZ-OE1 2.9Å; K83-E106 PolarHBondContact O-N 3.31Å; K83-S107 PolarHBondContact O-N 3.08Å; K83-D156 WeakPolarHBondContact CA-OD2 3.45Å; K83-D156 WeakPolarHBondContact CB-OD2 3.33Å; K83-D156 PolarHBondContact N-OD2 3.25Å
84K98.9Very high98.4Very high83 Ų8317.9 Ų17.936%0.36110%0.104SC..EExtended strand (participates in β ladder)trans-114.9117.4-179.5-64.9-168-179.2-174.80110.4S107 A154 F155 D156 I157K84-S107 WeakPolarHBondContact CA-O 3.45Å; K84-A154 WeakPolarHBondContact CD-O 3.5Å; K84-F155 HydrophobicContact CB-CD1 4.34Å; K84-D156 PolarHBondContact N-OD2 2.99Å; K84-D156 PolarHBondContact O-N 3.17Å; K84-I157 PolarHBondContact O-N 3.14Å
85V98.9Very high98.4Very high0 Ų017.9 Ų17.90%010%0.104CC..EExtended strand (participates in β ladder)trans-115.5135.6-178.8-174.20000109.3L76 I87 V99 V105 S107 A108 V109 I157 I159L76-V85 HydrophobicContact CD2-CG2 4.05Å; V85-I87 HydrophobicContact CG1-CG1 4.43Å; V85-V99 HydrophobicContact CB-CG1 3.87Å; V85-V99 HydrophobicContact CG1-CG1 3.82Å; V85-V99 HydrophobicContact CG1-CG2 4.21Å; V85-V99 HydrophobicContact CG2-CG1 3.9Å; V85-V105 HydrophobicContact CG2-CG1 3.96Å; V85-V105 HydrophobicContact CG2-CG2 3.87Å; V85-S107 PolarHBondContact N-O 3.45Å; V85-A108 CarbonylContact O-C 3.23Å; V85-A108 WeakPolarHBondContact O-CA 3.35Å; V85-V109 PolarHBondContact O-N 2.9Å; V85-I157 CarbonylContact C-O 3.51Å; V85-I157 WeakPolarHBondContact CA-O 3.32Å; V85-I157 HydrophobicContact CB-CB 4.5Å; V85-I157 HydrophobicContact CG1-CB 4.13Å; V85-I157 HydrophobicContact CG1-CG2 4.13Å; V85-I157 HydrophobicContact CG2-CB 4.16Å; V85-I159 HydrophobicContact CG1-CD1 4.37Å
86L98.9Very high98.4Very high0 Ų018 Ų180%011%0.105CC..EExtended strand (participates in β ladder)trans-108.8137.1166.5175.663000109.2I88 V109 F147 M148 F155 I157 I158 I159L86-I88 HydrophobicContact CD1-CD1 3.93Å; L86-I88 HydrophobicContact CD2-CD1 3.85Å; L86-I88 HydrophobicContact CD2-CG1 4.19Å; L86-I88 HydrophobicContact CG-CD1 3.91Å; L86-I88 HydrophobicContact CG-CG1 4.21Å; L86-V109 CarbonylContact C-O 3.48Å; L86-V109 WeakPolarHBondContact CA-O 3.3Å; L86-V109 HydrophobicContact CD1-CB 3.87Å; L86-V109 HydrophobicContact CD1-CG1 3.78Å; L86-F147 HydrophobicContact CD1-CD1 4.16Å; L86-F147 HydrophobicContact CD1-CE1 3.63Å; L86-F147 HydrophobicContact CD2-CD1 4.35Å; L86-F147 HydrophobicContact CD2-CE1 4.19Å; L86-M148 HydrophobicContact CD2-CE 3.3Å; L86-M148 HydrophobicContact CD2-SD 3.7Å; L86-F155 HydrophobicContact CB-CB 4.44Å; L86-F155 HydrophobicContact CB-CD1 3.7Å; L86-F155 HydrophobicContact CB-CD2 3.95Å; L86-F155 HydrophobicContact CB-CE1 3.84Å; L86-F155 HydrophobicContact CB-CE2 4.09Å; L86-F155 HydrophobicContact CB-CG 3.75Å; L86-F155 HydrophobicContact CB-CZ 4.04Å; L86-F155 HydrophobicContact CD1-CZ 4.21Å; L86-F155 HydrophobicContact CD2-CD2 3.93Å; L86-F155 HydrophobicContact CD2-CE2 3.7Å; L86-F155 HydrophobicContact CD2-CZ 4.16Å; L86-F155 HydrophobicContact CG-CE2 4.36Å; L86-F155 HydrophobicContact CG-CZ 4.39Å; L86-I157 PolarHBondContact N-O 3.42Å; L86-I158 HydrophobicContact CB-CG1 4.17Å; L86-I158 HydrophobicContact CD2-CD1 4.41Å; L86-I158 HydrophobicContact CD2-CG1 4.31Å; L86-I158 HydrophobicContact CD2-CG2 4.26Å; L86-I158 CarbonylContact O-C 3.57Å; L86-I158 WeakPolarHBondContact O-CA 3.38Å; L86-I159 PolarHBondContact O-N 2.83Å
87I98.9Very high98.4Very high0 Ų019.3 Ų19.30%011%0.11CC..EExtended strand (participates in β ladder)trans-118.6122.2170-56164.3000106.6V85 V95 L96 V99 V109 L110 C111 I159 D161V85-I87 HydrophobicContact CG1-CG1 4.43Å; I87-V95 HydrophobicContact CD1-CG1 3.99Å; I87-V95 HydrophobicContact CG1-CG1 4.2Å; I87-V95 HydrophobicContact CG2-CG1 4.28Å; I87-L96 HydrophobicContact CD1-CB 3.88Å; I87-L96 HydrophobicContact CD1-CD1 3.84Å; I87-L96 HydrophobicContact CD1-CG 4.48Å; I87-V99 HydrophobicContact CD1-CB 4.49Å; I87-V99 HydrophobicContact CD1-CG2 4.11Å; I87-V109 PolarHBondContact N-O 3.4Å; I87-L110 HydrophobicContact CB-CB 4.49Å; I87-L110 HydrophobicContact CB-CD1 4.47Å; I87-L110 HydrophobicContact CB-CG 4.32Å; I87-L110 HydrophobicContact CD1-CD1 4.48Å; I87-L110 HydrophobicContact CG2-CD1 4.28Å; I87-L110 HydrophobicContact CG2-CG 4.39Å; I87-L110 CarbonylContact O-C 3.6Å; I87-L110 WeakPolarHBondContact O-CA 3.33Å; I87-C111 PolarHBondContact O-N 3.27Å; I87-I159 CarbonylContact C-O 3.46Å; I87-I159 WeakPolarHBondContact CA-O 3.42Å; I87-I159 HydrophobicContact CG1-CB 4.5Å; I87-D161 HydrophobicContact CG2-CB 4.47Å
88I98.4Very high98.4Very high4 Ų419.4 Ų19.42%0.02111%0.11CC..EExtended strand (participates in β ladder)trans-100.7126.5169.9-60.6-56.1000107.6L86 C111 F147 I159 T160 D161 L172 Y177L86-I88 HydrophobicContact CD1-CD1 3.93Å; L86-I88 HydrophobicContact CD2-CD1 3.85Å; L86-I88 HydrophobicContact CD2-CG1 4.19Å; L86-I88 HydrophobicContact CG-CD1 3.91Å; L86-I88 HydrophobicContact CG-CG1 4.21Å; I88-C111 HydrophobicContact CD1-CB 3.63Å; I88-F147 HydrophobicContact CD1-CD1 4.31Å; I88-I159 PolarHBondContact N-O 2.97Å; I88-T160 HydrophobicContact CB-CG2 4.49Å; I88-D161 PolarHBondContact O-N 2.74Å; I88-L172 HydrophobicContact CG2-CD1 4.45Å; I88-L172 HydrophobicContact CG2-CD2 4.47Å; I88-Y177 WeakPolarHBondContact CG1-OH 3.2Å
89G97.1Very high98.4Very high13 Ų1319.1 Ų19.113%0.13411%0.108CC..EExtended strand (participates in β ladder)trans78.7-140.2-168.800000112G91 C111 E112 D161G89-G91 PolarHBondContact O-N 3.4Å; G89-C111 PolarHBondContact N-O 3.14Å; G89-E112 WeakPolarHBondContact CA-OE2 3.45Å; G89-D161 WeakPolarHBondContact CA-O 3.46Å
90G97.2Very high98.4Very high5 Ų519.3 Ų19.35%0.05211%0.11CC..  trans63.535.8178.900000114.2D92 G93 D161G90-D92 PolarHBondContact O-N 3.38Å; G90-D92 VanDerWaalsContact O-N 3.08Å; G90-G93 PolarHBondContact O-N 3.3Å; G90-D161 WeakPolarHBondContact CA-OD2 3.3Å; G90-D161 PolarHBondContact N-O 3.27Å
91G97.8Very high98.4Very high4 Ų417.5 Ų17.54%0.0419%0.093CC..THydrogen-bonded Turntrans-57.3-18.3-178.200000115.5G89 G93 E112 I118 F132G89-G91 PolarHBondContact O-N 3.4Å; G91-G93 VanDerWaalsContact C-N 3.29Å; G91-E112 WeakPolarHBondContact CA-OE2 3.49Å; G91-E112 PolarHBondContact N-OE2 2.59Å; G91-I118 WeakPolarHBondContact O-CA 3.41Å; G91-F132 WeakPolarHBondContact O-CZ 3.46Å
92D98.5Very high98.5Very high13 Ų1316.8 Ų16.87%0.078%0.082CC..THydrogen-bonded Turntrans-72-22.517266.496.8000113.4Q68 G90 G94 S121 L125 M128 A129Q68-D92 PolarHBondContact NE2-OD1 2.81Å; G90-D92 PolarHBondContact O-N 3.38Å; G90-D92 VanDerWaalsContact O-N 3.08Å; D92-G94 VanDerWaalsContact C-N 3.33Å; D92-G94 VanDerWaalsContact OD1-CA 3.25Å; D92-G94 WeakPolarHBondContact OD1-CA 3.4Å; D92-G94 PolarHBondContact OD1-N 3.04Å; D92-S121 WeakPolarHBondContact CA-OG 3.32Å; D92-L125 HydrophobicContact CB-CD1 4.37Å; D92-M128 HydrophobicContact CB-CB 4.45Å; D92-M128 HydrophobicContact CB-SD 4.44Å; D92-M128 CarbonylContact O-C 3.52Å; D92-A129 VanDerWaalsContact O-CA 3.3Å; D92-A129 WeakPolarHBondContact O-CA 3.49Å; D92-A129 PolarHBondContact O-N 3.01Å; D92-A129 VanDerWaalsContact O-N 3.16Å
93G98.6Very high98.4Very high0 Ų021.9 Ų21.90%012%0.115CC..SBendtrans82.52.2178.900000115G90 G91 L96 R97 M128 F132G90-G93 PolarHBondContact O-N 3.3Å; G91-G93 VanDerWaalsContact C-N 3.29Å; G93-L96 WeakPolarHBondContact O-CB 3.46Å; G93-L96 PolarHBondContact O-N 3.13Å; G93-R97 WeakPolarHBondContact O-CB 3.32Å; G93-R97 PolarHBondContact O-N 3.35Å; G93-M128 CarbonylContact C-O 3.55Å; G93-M128 VanDerWaalsContact C-O 3.23Å; G93-M128 VanDerWaalsContact O-O 3.07Å; G93-F132 VanDerWaalsContact CA-CE2 3.48Å
94G98.8Very high98.3Very high0 Ų022 Ų220%012%0.119CC..Hα-helixtrans-65-44.5-178.900000113.1D92 L96 R97 E98D92-G94 VanDerWaalsContact C-N 3.33Å; D92-G94 VanDerWaalsContact OD1-CA 3.25Å; D92-G94 WeakPolarHBondContact OD1-CA 3.4Å; D92-G94 PolarHBondContact OD1-N 3.04Å; G94-L96 VanDerWaalsContact C-N 3.31Å; G94-L96 PolarHBondContact O-N 3.16Å; G94-R97 WeakPolarHBondContact O-CB 3.21Å; G94-R97 PolarHBondContact O-N 3.16Å; G94-E98 PolarHBondContact O-N 3.24Å; G94-E98 VanDerWaalsContact O-N 3.14Å
95V98.9Very high98.3Very high0 Ų018 Ų180%010%0.102CC..Hα-helixtrans-62.8-41.9173.4175.20000110.7Q68 I71 A72 I87 R97 E98 V99 I159 D161Q68-V95 HydrophobicContact CG-CG2 4.38Å; I71-V95 HydrophobicContact CG2-CB 4.48Å; I71-V95 HydrophobicContact CG2-CG1 4.29Å; I71-V95 HydrophobicContact CG2-CG2 3.41Å; I71-V95 VanDerWaalsContact CG2-CG2 3.41Å; A72-V95 HydrophobicContact CB-CG1 4.48Å; I87-V95 HydrophobicContact CD1-CG1 3.99Å; I87-V95 HydrophobicContact CG1-CG1 4.2Å; I87-V95 HydrophobicContact CG2-CG1 4.28Å; V95-R97 VanDerWaalsContact C-N 3.31Å; V95-R97 PolarHBondContact O-N 2.88Å; V95-E98 PolarHBondContact O-N 3.4Å; V95-E98 VanDerWaalsContact O-N 3.12Å; V95-V99 HydrophobicContact CG1-CG2 4.13Å; V95-V99 VanDerWaalsContact O-CG2 3.3Å; V95-V99 WeakPolarHBondContact O-CG2 3.5Å; V95-V99 PolarHBondContact O-N 3.39Å; V95-I159 HydrophobicContact CG1-CD1 3.95Å; V95-I159 HydrophobicContact CG1-CG2 4.04Å; V95-D161 HydrophobicContact CG2-CB 4.2Å; V95-D161 WeakPolarHBondContact CG2-OD2 3.14Å
96L98.8Very high98.3Very high2 Ų223.5 Ų23.51%0.0113%0.128CC..Hα-helixtrans-60.9-41.5176.7-177.861.8000111.6I87 G93 G94 E98 V99 V100 A108 L110 F132 I137I87-L96 HydrophobicContact CD1-CB 3.88Å; I87-L96 HydrophobicContact CD1-CD1 3.84Å; I87-L96 HydrophobicContact CD1-CG 4.48Å; G93-L96 WeakPolarHBondContact O-CB 3.46Å; G93-L96 PolarHBondContact O-N 3.13Å; G94-L96 VanDerWaalsContact C-N 3.31Å; G94-L96 PolarHBondContact O-N 3.16Å; L96-E98 VanDerWaalsContact C-N 3.28Å; L96-E98 PolarHBondContact O-N 3.25Å; L96-V99 PolarHBondContact O-N 2.9Å; L96-V100 HydrophobicContact CD1-CG1 3.94Å; L96-V100 HydrophobicContact CG-CG1 4.44Å; L96-V100 WeakPolarHBondContact O-CG1 3.19Å; L96-V100 VanDerWaalsContact O-CG2 3.3Å; L96-V100 WeakPolarHBondContact O-CG2 3.16Å; L96-V100 PolarHBondContact O-N 3.2Å; L96-V100 VanDerWaalsContact O-N 3.09Å; L96-A108 HydrophobicContact CD1-CB 3.66Å; L96-L110 HydrophobicContact CB-CD1 4.04Å; L96-L110 HydrophobicContact CD2-CD1 4.01Å; L96-F132 HydrophobicContact CD2-CD1 4.08Å; L96-F132 HydrophobicContact CD2-CE1 4.34Å; L96-I137 HydrophobicContact CD1-CG2 3.98Å; L96-I137 HydrophobicContact CD2-CB 4.49Å; L96-I137 HydrophobicContact CD2-CG2 3.88Å; L96-I137 HydrophobicContact CG-CG2 4.21Å
97R98.8Very high98.3Very high32 Ų3225.2 Ų25.212%0.12114%0.14CC..Hα-helixtrans-56.9-41.1174.2177.3-161.973.5-155.3-6.3111.4E64 G93 G94 V95 K101 G127 K130E64-R97 IonicContact OE1-CZ 2.6Å; E64-R97 IonicContact OE1-NH1 2.68Å; E64-R97 PolarHBondContact OE1-NH1 3.26Å; E64-R97 IonicContact OE1-NH2 2.94Å; E64-R97 PolarHBondContact OE1-NH2 3.14Å; E64-R97 IonicContact OE2-CZ 2.72Å; E64-R97 IonicContact OE2-NH1 2.76Å; E64-R97 PolarHBondContact OE2-NH1 3.06Å; E64-R97 IonicContact OE2-NH2 2.9Å; E64-R97 PolarHBondContact OE2-NH2 2.85Å; G93-R97 WeakPolarHBondContact O-CB 3.32Å; G93-R97 PolarHBondContact O-N 3.35Å; G94-R97 WeakPolarHBondContact O-CB 3.21Å; G94-R97 PolarHBondContact O-N 3.16Å; V95-R97 VanDerWaalsContact C-N 3.31Å; V95-R97 PolarHBondContact O-N 2.88Å; R97-K101 WeakPolarHBondContact O-CG 3.47Å; R97-G127 WeakPolarHBondContact CD-O 3.47Å; R97-G127 PolarHBondContact NH1-O 3.28Å; R97-K130 HydrophobicContact CG-CB 4.36Å
98E98.9Very high98.3Very high1 Ų125.2 Ų25.21%0.00514%0.14CC..Hα-helixtrans-73.2-45.1178.3-63.2-49.6128.800112.6Q68 E69 A72 G94 V95 L96 V100 K101Q68-E98 HydrophobicContact CB-CG 4.22Å; E69-E98 HydrophobicContact CG-CG 4.31Å; A72-E98 HydrophobicContact CB-CB 3.51Å; A72-E98 HydrophobicContact CB-CG 4.45Å; G94-E98 PolarHBondContact O-N 3.24Å; G94-E98 VanDerWaalsContact O-N 3.14Å; V95-E98 PolarHBondContact O-N 3.4Å; V95-E98 VanDerWaalsContact O-N 3.12Å; L96-E98 VanDerWaalsContact C-N 3.28Å; L96-E98 PolarHBondContact O-N 3.25Å; E98-V100 VanDerWaalsContact C-N 3.33Å; E98-V100 PolarHBondContact O-N 3.09Å; E98-K101 WeakPolarHBondContact O-CB 3.45Å; E98-K101 PolarHBondContact O-N 3.25Å; E98-K101 WeakPolarHBondContact OE1-CE 3.41Å; E98-K101 IonicContact OE1-NZ 2.73Å; E98-K101 PolarHBondContact OE1-NZ 3.42Å; E98-K101 WeakPolarHBondContact OE2-CD 3.46Å; E98-K101 WeakPolarHBondContact OE2-CE 3.24Å; E98-K101 IonicContact OE2-NZ 3.29Å; E98-K101 PolarHBondContact OE2-NZ 3.34Å
99V98.9Very high98.3Very high0 Ų025.8 Ų25.80%014%0.143CC..Hα-helixtrans-57.1-45.5-179.8166.70000111.6A72 L76 V85 I87 V95 L96 K101 H102 V105 A108 I159A72-V99 HydrophobicContact CB-CG2 4.16Å; L76-V99 HydrophobicContact CD1-CB 4.44Å; L76-V99 HydrophobicContact CD1-CG2 4.12Å; V85-V99 HydrophobicContact CB-CG1 3.87Å; V85-V99 HydrophobicContact CG1-CG1 3.82Å; V85-V99 HydrophobicContact CG1-CG2 4.21Å; V85-V99 HydrophobicContact CG2-CG1 3.9Å; I87-V99 HydrophobicContact CD1-CB 4.49Å; I87-V99 HydrophobicContact CD1-CG2 4.11Å; V95-V99 HydrophobicContact CG1-CG2 4.13Å; V95-V99 VanDerWaalsContact O-CG2 3.3Å; V95-V99 WeakPolarHBondContact O-CG2 3.5Å; V95-V99 PolarHBondContact O-N 3.39Å; L96-V99 PolarHBondContact O-N 2.9Å; V99-K101 PolarHBondContact O-N 3.26Å; V99-H102 PolarHBondContact O-N 3.38Å; V99-V105 HydrophobicContact CG1-CG1 4.09Å; V99-V105 HydrophobicContact CG1-CG2 4.49Å; V99-A108 HydrophobicContact CG1-CB 4.06Å; V99-I159 HydrophobicContact CG2-CD1 3.84Å
100V98.6Very high98.4Very high23 Ų2325.3 Ų25.314%0.13914%0.138CC..THydrogen-bonded Turntrans-72.6-14.4-173.7-61.50000114.1L96 E98 H102 A108 K136 I137L96-V100 HydrophobicContact CD1-CG1 3.94Å; L96-V100 HydrophobicContact CG-CG1 4.44Å; L96-V100 WeakPolarHBondContact O-CG1 3.19Å; L96-V100 VanDerWaalsContact O-CG2 3.3Å; L96-V100 WeakPolarHBondContact O-CG2 3.16Å; L96-V100 PolarHBondContact O-N 3.2Å; L96-V100 VanDerWaalsContact O-N 3.09Å; E98-V100 VanDerWaalsContact C-N 3.33Å; E98-V100 PolarHBondContact O-N 3.09Å; V100-H102 PolarHBondContact O-N 3.3Å; V100-A108 HydrophobicContact CG1-CB 4.26Å; V100-K136 HydrophobicContact CB-CD 4.28Å; V100-K136 HydrophobicContact CG1-CB 4.3Å; V100-K136 HydrophobicContact CG1-CD 4.48Å; V100-K136 PolarHBondContact O-NZ 3.4Å; V100-K136 VanDerWaalsContact O-NZ 3.08Å; V100-I137 HydrophobicContact CG1-CG2 4.45Å
101K98.2Very high98.4Very high62 Ų6225.1 Ų25.127%0.2714%0.136SC..THydrogen-bonded Turntrans-66-26.2173.3-66.7172.1-172.1-179.20112.3R97 E98 V99 M262R97-K101 WeakPolarHBondContact O-CG 3.47Å; E98-K101 WeakPolarHBondContact O-CB 3.45Å; E98-K101 PolarHBondContact O-N 3.25Å; E98-K101 WeakPolarHBondContact OE1-CE 3.41Å; E98-K101 IonicContact OE1-NZ 2.73Å; E98-K101 PolarHBondContact OE1-NZ 3.42Å; E98-K101 WeakPolarHBondContact OE2-CD 3.46Å; E98-K101 WeakPolarHBondContact OE2-CE 3.24Å; E98-K101 IonicContact OE2-NZ 3.29Å; E98-K101 PolarHBondContact OE2-NZ 3.34Å; V99-K101 PolarHBondContact O-N 3.26Å; K101-M262 HydrophobicContact CB-CE 3.8Å; K101-M262 HydrophobicContact CB-CG 4.16Å; K101-M262 HydrophobicContact CD-CB 4.09Å; K101-M262 HydrophobicContact CD-CE 4.37Å; K101-M262 HydrophobicContact CD-CG 4.47Å; K101-M262 WeakPolarHBondContact CD-O 3.3Å; K101-M262 WeakPolarHBondContact CE-O 3.18Å; K101-M262 PolarHBondContact NZ-O 3.23Å
102H98.1Very high98.4Very high13 Ų1325.7 Ų25.76%0.0614%0.137CC..  trans-71.7124.3-179.4-76.8-98.9000110.9N73 L76 V99 V100 L104 V105 K136 M262N73-H102 PolarHBondContact OD1-CE1 3.23Å; N73-H102 PolarHBondContact OD1-NE2 3.41Å; L76-H102 VanDerWaalsContact CD1-CD2 3.41Å; L76-H102 WeakPolarHBondContact CD1-CD2 3.37Å; V99-H102 PolarHBondContact O-N 3.38Å; V100-H102 PolarHBondContact O-N 3.3Å; H102-L104 VanDerWaalsContact C-N 3.3Å; H102-L104 PolarHBondContact O-N 3.47Å; H102-V105 HydrophobicContact CB-CB 4.33Å; H102-V105 HydrophobicContact CB-CG2 3.73Å; H102-V105 PolarHBondContact O-N 3.24Å; H102-K136 PolarHBondContact O-NZ 3.35Å; H102-M262 WeakPolarHBondContact NE2-CE 3.5Å
103P95.9Very high98.3Very high111 Ų11127 Ų2772%0.72114%0.144SC*.THydrogen-bonded Turntrans-69.6-27.3-175.225.8-33.9000113.1V105P103-V105 VanDerWaalsContact C-N 3.32Å
104L97.6Very high98.1Very high95 Ų9527 Ų2750%0.49714%0.144SC..THydrogen-bonded Turntrans-74.3-22.9177.7-61.9-178.5000113P82 K83 H102 E106P82-L104 CarbonylContact O-C 3.14Å; P82-L104 VanDerWaalsContact O-O 3.09Å; K83-L104 WeakPolarHBondContact CA-O 3.35Å; H102-L104 VanDerWaalsContact C-N 3.3Å; H102-L104 PolarHBondContact O-N 3.47Å; L104-E106 PolarHBondContact O-N 2.7Å
105V98.7Very high98.1Very high1 Ų131.2 Ų31.21%0.00616%0.163CC..  trans-71.2115176176.40000108.6L76 P82 V85 V99 H102 P103 K136L76-V105 HydrophobicContact CD2-CG2 3.86Å; P82-V105 PolarHBondContact O-N 3.11Å; V85-V105 HydrophobicContact CG2-CG1 3.96Å; V85-V105 HydrophobicContact CG2-CG2 3.87Å; V99-V105 HydrophobicContact CG1-CG1 4.09Å; V99-V105 HydrophobicContact CG1-CG2 4.49Å; H102-V105 HydrophobicContact CB-CB 4.33Å; H102-V105 HydrophobicContact CB-CG2 3.73Å; H102-V105 PolarHBondContact O-N 3.24Å; P103-V105 VanDerWaalsContact C-N 3.32Å; V105-K136 VanDerWaalsContact O-CD 3.32Å; V105-K136 WeakPolarHBondContact O-CD 3.39Å; V105-K136 WeakPolarHBondContact O-CE 3.22Å; V105-K136 PolarHBondContact O-NZ 2.93Å
106E98.7Very high98Very high114 Ų11433.7 Ų33.753%0.53318%0.177SC..  trans-93.2-33.9179.4-66.4171.2-170.500111.1K83 L104K83-E106 HydrophobicContact CB-CG 4.35Å; K83-E106 WeakPolarHBondContact CD-OE1 3.46Å; K83-E106 WeakPolarHBondContact CE-OE1 3.19Å; K83-E106 HydrophobicContact CG-CG 4.46Å; K83-E106 IonicContact NZ-OE1 2.66Å; K83-E106 PolarHBondContact NZ-OE1 2.9Å; K83-E106 PolarHBondContact O-N 3.31Å; L104-E106 PolarHBondContact O-N 2.7Å
107S98.6Very high98Very high36 Ų3633.8 Ų33.825%0.25218%0.177SC..EExtended strand (participates in β ladder)trans-145.5135.5-177.9-176.90000111.4K83 K84 V85 K136K83-S107 PolarHBondContact O-N 3.08Å; K84-S107 WeakPolarHBondContact CA-O 3.45Å; V85-S107 PolarHBondContact N-O 3.45Å; S107-K136 WeakPolarHBondContact CA-O 3.35Å
108A98.8Very high97.9Very high0 Ų032.3 Ų32.30%017%0.172CC..EExtended strand (participates in β ladder)trans-124117.817300000109.8V85 L96 V99 V100 K136 I137 T138V85-A108 CarbonylContact O-C 3.23Å; V85-A108 WeakPolarHBondContact O-CA 3.35Å; L96-A108 HydrophobicContact CD1-CB 3.66Å; V99-A108 HydrophobicContact CG1-CB 4.06Å; V100-A108 HydrophobicContact CG1-CB 4.26Å; A108-K136 PolarHBondContact N-O 2.99Å; A108-I137 CarbonylContact O-C 3.6Å; A108-I137 VanDerWaalsContact O-CA 3.27Å; A108-I137 WeakPolarHBondContact O-CA 3.3Å; A108-T138 PolarHBondContact O-N 2.71Å
109V98.9Very high97.9Very high17 Ų1737.4 Ų37.410%0.10320%0.196CC..EExtended strand (participates in β ladder)trans-95.6130.8172.8-178.30000108V85 L86 I87 T138 F147 F155V85-V109 PolarHBondContact O-N 2.9Å; L86-V109 CarbonylContact C-O 3.48Å; L86-V109 WeakPolarHBondContact CA-O 3.3Å; L86-V109 HydrophobicContact CD1-CB 3.87Å; L86-V109 HydrophobicContact CD1-CG1 3.78Å; I87-V109 PolarHBondContact N-O 3.4Å; V109-T138 VanDerWaalsContact CA-O 3.31Å; V109-T138 WeakPolarHBondContact CA-O 3.34Å; V109-F147 HydrophobicContact CG1-CE1 4.25Å; V109-F147 HydrophobicContact CG1-CZ 3.88Å; V109-F155 HydrophobicContact CB-CE1 4.21Å; V109-F155 HydrophobicContact CG2-CE1 3.88Å; V109-F155 HydrophobicContact CG2-CZ 4.39Å
110L98.8Very high97.9Very high3 Ų337.8 Ų37.82%0.01620%0.198CC..EExtended strand (participates in β ladder)trans-115.9126.4171-173.1149.1000108.8I87 L96 E112 F132 T138 L139 H140I87-L110 HydrophobicContact CB-CB 4.49Å; I87-L110 HydrophobicContact CB-CD1 4.47Å; I87-L110 HydrophobicContact CB-CG 4.32Å; I87-L110 HydrophobicContact CD1-CD1 4.48Å; I87-L110 HydrophobicContact CG2-CD1 4.28Å; I87-L110 HydrophobicContact CG2-CG 4.39Å; I87-L110 CarbonylContact O-C 3.6Å; I87-L110 WeakPolarHBondContact O-CA 3.33Å; L96-L110 HydrophobicContact CB-CD1 4.04Å; L96-L110 HydrophobicContact CD2-CD1 4.01Å; L110-E112 HydrophobicContact CD2-CB 3.65Å; L110-F132 HydrophobicContact CD1-CE1 4.19Å; L110-F132 HydrophobicContact CD1-CZ 4.37Å; L110-F132 HydrophobicContact CD2-CE1 4.23Å; L110-T138 PolarHBondContact N-O 3.41Å; L110-L139 HydrophobicContact CB-CD1 4.38Å; L110-L139 HydrophobicContact CD2-CD1 3.57Å; L110-H140 PolarHBondContact O-N 3.48Å
111C98.4Very high97.9Very high1 Ų136.7 Ų36.71%0.00719%0.191CC..EExtended strand (participates in β ladder)trans-116.1104.8177.2-174.70000109.3I87 I88 G89 H140 G142 F147I87-C111 PolarHBondContact O-N 3.27Å; I88-C111 HydrophobicContact CD1-CB 3.63Å; G89-C111 PolarHBondContact N-O 3.14Å; C111-H140 WeakPolarHBondContact CA-O 3.33Å; C111-H140 HydrophobicContact CB-CB 4.44Å; C111-G142 PolarHBondContact SG-O 3.01Å; C111-F147 HydrophobicContact CB-CD1 4.26Å; C111-F147 HydrophobicContact CB-CG 4.29Å
112E97.4Very high97.9Very high15 Ų1536.9 Ų36.97%0.0719%0.192CC..EExtended strand (participates in β ladder)trans-117.3135.6-179.5170.552.2-113.600109G89 G91 L110 D114 I118 H140 I141 G142G89-E112 WeakPolarHBondContact CA-OE2 3.45Å; G91-E112 WeakPolarHBondContact CA-OE2 3.49Å; G91-E112 PolarHBondContact N-OE2 2.59Å; L110-E112 HydrophobicContact CD2-CB 3.65Å; E112-D114 PolarHBondContact OE1-N 2.85Å; E112-I118 HydrophobicContact CB-CD1 3.83Å; E112-I118 HydrophobicContact CB-CG1 4.38Å; E112-I118 HydrophobicContact CG-CD1 3.72Å; E112-I118 HydrophobicContact CG-CG1 3.91Å; E112-H140 PolarHBondContact N-O 3.25Å; E112-I141 CarbonylContact O-C 3.56Å; E112-I141 VanDerWaalsContact O-CA 3.26Å; E112-I141 WeakPolarHBondContact O-CA 3.43Å; E112-G142 CarbonylContact C-O 3.36Å; E112-G142 PolarHBondContact O-N 2.85Å
113I95.4Very high97.9Very high40 Ų4043.1 Ų43.121%0.20522%0.219CC..SBendtrans-76.9-33.3-176.4-162.5171000111.4F36 G142 D143F36-I113 HydrophobicContact CD1-CD1 3.95Å; F36-I113 HydrophobicContact CD1-CG1 4.03Å; F36-I113 HydrophobicContact CE1-CD1 3.71Å; F36-I113 HydrophobicContact CE1-CG1 3.6Å; F36-I113 HydrophobicContact CE2-CG1 4.32Å; F36-I113 WeakPolarHBondContact CE2-O 3.22Å; F36-I113 HydrophobicContact CZ-CD1 4.38Å; F36-I113 HydrophobicContact CZ-CG1 3.76Å; F36-I113 WeakPolarHBondContact CZ-O 3.39Å; I113-G142 WeakPolarHBondContact CA-O 3.48Å; I113-G142 PolarHBondContact N-O 3.49Å; I113-D143 HydrophobicContact CD1-CB 4.16Å
114D96.1Very high98.1Very high2 Ų239.6 Ų39.61%0.01119%0.192CC..  trans-112.4103.6-170.2-164.5-9.3000112.7S34 F36 Q37 E112 D116 V117S34-D114 WeakPolarHBondContact CB-OD2 3.47Å; S34-D114 PolarHBondContact OG-OD1 2.97Å; S34-D114 PolarHBondContact OG-OD2 2.78Å; F36-D114 HydrophobicContact CD2-CB 3.84Å; F36-D114 HydrophobicContact CG-CB 4.49Å; Q37-D114 PolarHBondContact NE2-OD2 2.97Å; E112-D114 PolarHBondContact OE1-N 2.85Å; D114-D116 PolarHBondContact O-N 3.02Å; D114-D116 WeakPolarHBondContact OD1-CB 3.18Å; D114-D116 PolarHBondContact OD1-N 3.32Å; D114-D116 VanDerWaalsContact OD1-N 3.11Å; D114-V117 HydrophobicContact CB-CB 4.45Å; D114-V117 HydrophobicContact CB-CG2 3.84Å; D114-V117 PolarHBondContact O-N 3.3Å
115E97.4Very high98.1Very high87 Ų8735 Ų3541%0.40717%0.168SC..Hα-helixtrans-59.1-29.5177.165.7-170156.300113.1K35 V117 I118 E119 I141K35-E115 IonicContact NZ-OE1 2.72Å; K35-E115 PolarHBondContact NZ-OE1 3.48Å; E115-V117 VanDerWaalsContact C-N 3.33Å; E115-V117 PolarHBondContact O-N 3.2Å; E115-I118 PolarHBondContact O-N 3.22Å; E115-E119 PolarHBondContact O-N 2.86Å; E115-E119 VanDerWaalsContact O-N 3.16Å; E115-I141 HydrophobicContact CB-CG2 4.19Å
116D97.1Very high98.1Very high52 Ų5238.4 Ų38.428%0.27819%0.19SC..Hα-helixtrans-68.4-35.6-178.8-74.8-5.8000111S34 D114 I118 E119 V120S34-D116 WeakPolarHBondContact CB-OD2 3.42Å; D114-D116 PolarHBondContact O-N 3.02Å; D114-D116 WeakPolarHBondContact OD1-CB 3.18Å; D114-D116 PolarHBondContact OD1-N 3.32Å; D114-D116 VanDerWaalsContact OD1-N 3.11Å; D116-I118 VanDerWaalsContact C-N 3.29Å; D116-I118 PolarHBondContact O-N 3.17Å; D116-E119 PolarHBondContact O-N 3Å; D116-V120 WeakPolarHBondContact O-CB 3.4Å; D116-V120 WeakPolarHBondContact O-CG2 3.43Å; D116-V120 PolarHBondContact O-N 2.92Å
117V98Very high98.1Very high4 Ų434.3 Ų34.32%0.02418%0.179CC..Hα-helixtrans-61.7-41177.1178.30000110.6V39 L51 L53 D114 E115 S121V39-V117 HydrophobicContact CG2-CG2 4.33Å; L51-V117 HydrophobicContact CD2-CG1 4.26Å; L53-V117 HydrophobicContact CD1-CG2 4.22Å; L53-V117 HydrophobicContact CD2-CG2 3.95Å; D114-V117 HydrophobicContact CB-CB 4.45Å; D114-V117 HydrophobicContact CB-CG2 3.84Å; D114-V117 PolarHBondContact O-N 3.3Å; E115-V117 VanDerWaalsContact C-N 3.33Å; E115-V117 PolarHBondContact O-N 3.2Å; V117-S121 WeakPolarHBondContact O-CB 3.38Å; V117-S121 PolarHBondContact O-N 3.31Å; V117-S121 PolarHBondContact O-OG 3.47Å
118I98.4Very high98.1Very high2 Ų232.7 Ų32.71%0.0117%0.167CC..Hα-helixtrans-64.9-49.4177.9-65.9162.2000110.9G91 E112 E115 D116 S121 K122 F132 L139 I141G91-I118 WeakPolarHBondContact O-CA 3.41Å; E112-I118 HydrophobicContact CB-CD1 3.83Å; E112-I118 HydrophobicContact CB-CG1 4.38Å; E112-I118 HydrophobicContact CG-CD1 3.72Å; E112-I118 HydrophobicContact CG-CG1 3.91Å; E115-I118 PolarHBondContact O-N 3.22Å; D116-I118 VanDerWaalsContact C-N 3.29Å; D116-I118 PolarHBondContact O-N 3.17Å; I118-S121 PolarHBondContact O-N 2.89Å; I118-K122 HydrophobicContact CG2-CD 4.17Å; I118-K122 VanDerWaalsContact CG2-CE 3.48Å; I118-K122 WeakPolarHBondContact O-CG 3.31Å; I118-K122 PolarHBondContact O-N 3.3Å; I118-F132 HydrophobicContact CB-CZ 4.42Å; I118-F132 HydrophobicContact CG1-CE1 4.28Å; I118-F132 HydrophobicContact CG1-CZ 3.94Å; I118-F132 HydrophobicContact CG2-CD1 4.44Å; I118-F132 HydrophobicContact CG2-CE1 4.05Å; I118-F132 HydrophobicContact CG2-CE2 4.16Å; I118-F132 HydrophobicContact CG2-CZ 3.91Å; I118-L139 HydrophobicContact CD1-CD1 3.95Å; I118-L139 HydrophobicContact CD1-CD2 4.26Å; I118-I141 HydrophobicContact CD1-CD1 3.38Å
119E98.4Very high98.1Very high107 Ų10732.7 Ų32.750%0.517%0.167SC..Hα-helixtrans-68.5-39.2-175.8-66.6-54.1122.700112E115 D116 S121 K122 K123E115-E119 PolarHBondContact O-N 2.86Å; E115-E119 VanDerWaalsContact O-N 3.16Å; D116-E119 PolarHBondContact O-N 3Å; E119-S121 VanDerWaalsContact C-N 3.34Å; E119-K122 IonicContact OE1-NZ 3.15Å; E119-K122 PolarHBondContact OE1-NZ 2.93Å; E119-K123 PolarHBondContact O-N 2.95Å
120V98.3Very high98Very high8 Ų838.3 Ų38.35%0.04819%0.19CC..Hα-helixtrans-62.2-42.6172.5168.50000110.5Y30 V39 V41 D116 K123 Y124Y30-V120 HydrophobicContact CD1-CG1 4.24Å; Y30-V120 HydrophobicContact CD1-CG2 3.8Å; Y30-V120 HydrophobicContact CD2-CG2 4.21Å; Y30-V120 HydrophobicContact CE1-CG2 3.52Å; Y30-V120 HydrophobicContact CE2-CG2 3.95Å; Y30-V120 HydrophobicContact CG-CG1 4.49Å; Y30-V120 HydrophobicContact CG-CG2 4.13Å; V39-V120 HydrophobicContact CG1-CG1 4.34Å; V39-V120 HydrophobicContact CG1-CG2 4.37Å; V41-V120 HydrophobicContact CB-CG1 4.41Å; V41-V120 HydrophobicContact CG2-CG1 3.22Å; D116-V120 WeakPolarHBondContact O-CB 3.4Å; D116-V120 WeakPolarHBondContact O-CG2 3.43Å; D116-V120 PolarHBondContact O-N 2.92Å; V120-K123 PolarHBondContact O-N 3.07Å; V120-Y124 HydrophobicContact CG1-CD2 3.97Å; V120-Y124 WeakPolarHBondContact O-CD2 3.41Å; V120-Y124 PolarHBondContact O-N 3.36Å
121S98.7Very high97.8Very high0 Ų038.2 Ų38.20%019%0.189CC..Hα-helixtrans-68.8-40.9179.6-61.60000112.7D92 V117 I118 E119 K123 L125D92-S121 WeakPolarHBondContact CA-OG 3.32Å; V117-S121 WeakPolarHBondContact O-CB 3.38Å; V117-S121 PolarHBondContact O-N 3.31Å; V117-S121 PolarHBondContact O-OG 3.47Å; I118-S121 PolarHBondContact O-N 2.89Å; E119-S121 VanDerWaalsContact C-N 3.34Å; S121-K123 PolarHBondContact O-N 2.73Å; S121-L125 CarbonylContact O-C 3.45Å; S121-L125 VanDerWaalsContact O-CA 3.22Å; S121-L125 WeakPolarHBondContact O-CA 3.31Å; S121-L125 WeakPolarHBondContact O-CB 3.45Å; S121-L125 PolarHBondContact O-N 3.41Å
122K98.6Very high97.8Very high67 Ų6738.9 Ų38.929%0.29119%0.192SC..Hα-helixtrans-56.7-36.3172.1-74.9172.4-174.6163.60112.3I118 E119 A129 F132I118-K122 HydrophobicContact CG2-CD 4.17Å; I118-K122 VanDerWaalsContact CG2-CE 3.48Å; I118-K122 WeakPolarHBondContact O-CG 3.31Å; I118-K122 PolarHBondContact O-N 3.3Å; E119-K122 IonicContact OE1-NZ 3.15Å; E119-K122 PolarHBondContact OE1-NZ 2.93Å; K122-A129 HydrophobicContact CB-CB 4.47Å; K122-A129 HydrophobicContact CG-CB 4.16Å; K122-F132 HydrophobicContact CG-CD2 4.34Å
123K98.7Very high97.8Very high143 Ų14345.8 Ų45.862%0.62222%0.222SC*.Hα-helixtrans-81.5-46.7-178-174.9174.5177-164.70113.2E119 V120 S121E119-K123 PolarHBondContact O-N 2.95Å; V120-K123 PolarHBondContact O-N 3.07Å; S121-K123 PolarHBondContact O-N 2.73Å
124Y98.8Very high97.9Very high37 Ų3744.9 Ų44.915%0.14522%0.219CC..Hα-helixtrans-110.5-12.9-168.3-59.6-73.2000114.1L29 Y30 V41 N49 V120 P126L29-Y124 HydrophobicContact CB-CD1 3.86Å; L29-Y124 HydrophobicContact CB-CE1 3.73Å; L29-Y124 HydrophobicContact CD1-CD1 3.93Å; L29-Y124 HydrophobicContact CG-CD1 4.46Å; L29-Y124 PolarHBondContact O-OH 3.47Å; Y30-Y124 HydrophobicContact CD2-CE2 4.19Å; Y30-Y124 HydrophobicContact CG-CE2 4.26Å; V41-Y124 HydrophobicContact CG1-CG 4.31Å; N49-Y124 PolarHBondContact ND2-O 3.21Å; V120-Y124 HydrophobicContact CG1-CD2 3.97Å; V120-Y124 WeakPolarHBondContact O-CD2 3.41Å; V120-Y124 PolarHBondContact O-N 3.36Å; Y124-P126 WeakPolarHBondContact O-CD 3.24Å
125L98.8Very high98Very high0 Ų051.1 Ų51.10%026%0.26CS..  trans-124.151177-56.6173.1000111.1N49 L51 E61 D92 S121 G127 M128 A129N49-L125 HydrophobicContact CB-CD2 3.77Å; L51-L125 HydrophobicContact CB-CD1 3.8Å; L51-L125 HydrophobicContact CD2-CD1 4.15Å; E61-L125 HydrophobicContact CG-CD2 4.28Å; D92-L125 HydrophobicContact CB-CD1 4.37Å; S121-L125 CarbonylContact O-C 3.45Å; S121-L125 VanDerWaalsContact O-CA 3.22Å; S121-L125 WeakPolarHBondContact O-CA 3.31Å; S121-L125 WeakPolarHBondContact O-CB 3.45Å; S121-L125 PolarHBondContact O-N 3.41Å; L125-G127 PolarHBondContact O-N 2.93Å; L125-M128 HydrophobicContact CB-CB 4.47Å; L125-M128 HydrophobicContact CB-CE 3.7Å; L125-M128 HydrophobicContact CD1-CE 3.67Å; L125-M128 HydrophobicContact CD2-CE 3.52Å; L125-M128 HydrophobicContact CG-CE 3.78Å; L125-M128 PolarHBondContact O-N 3.14Å; L125-A129 PolarHBondContact O-N 2.95Å
126P98.4Very high98Very high71 Ų7149.5 Ų49.546%0.46125%0.252SS..THydrogen-bonded Turntrans-63.6-18.4-170.929-37.5000113.3Y124 K130Y124-P126 WeakPolarHBondContact O-CD 3.24Å; P126-K130 WeakPolarHBondContact O-CG 3.38Å
127G98.2Very high98.1Very high29 Ų2949 Ų4930%0.29925%0.249SC..THydrogen-bonded Turntrans-70.6-3517300000114R97 L125R97-G127 WeakPolarHBondContact CD-O 3.47Å; R97-G127 PolarHBondContact NH1-O 3.28Å; L125-G127 PolarHBondContact O-N 2.93Å
128M98.6Very high98.1Very high2 Ų252.6 Ų52.61%0.0127%0.271CS..THydrogen-bonded Turntrans-85.5-46.5177.4-71179.9-81.700110.5C59 E64 D92 G93 L125 K130C59-M128 HydrophobicContact CB-CE 4.23Å; C59-M128 HydrophobicContact CB-SD 4Å; C59-M128 WeakPolarHBondContact SG-CE 3.17Å; E64-M128 HydrophobicContact CB-SD 3.66Å; E64-M128 HydrophobicContact CG-CE 4.43Å; E64-M128 HydrophobicContact CG-CG 3.96Å; E64-M128 HydrophobicContact CG-SD 3.59Å; E64-M128 VanDerWaalsContact CG-SD 3.59Å; D92-M128 HydrophobicContact CB-CB 4.45Å; D92-M128 HydrophobicContact CB-SD 4.44Å; D92-M128 CarbonylContact O-C 3.52Å; G93-M128 CarbonylContact C-O 3.55Å; G93-M128 VanDerWaalsContact C-O 3.23Å; G93-M128 VanDerWaalsContact O-O 3.07Å; L125-M128 HydrophobicContact CB-CB 4.47Å; L125-M128 HydrophobicContact CB-CE 3.7Å; L125-M128 HydrophobicContact CD1-CE 3.67Å; L125-M128 HydrophobicContact CD2-CE 3.52Å; L125-M128 HydrophobicContact CG-CE 3.78Å; L125-M128 PolarHBondContact O-N 3.14Å; M128-K130 PolarHBondContact O-N 3.09Å
129A98.4Very high98.1Very high0 Ų055.8 Ų55.80%029%0.287CS..G310 helixtrans-65.4-1.6-176.700000115.4D92 K122 L125 G131 F132D92-A129 VanDerWaalsContact O-CA 3.3Å; D92-A129 WeakPolarHBondContact O-CA 3.49Å; D92-A129 PolarHBondContact O-N 3.01Å; D92-A129 VanDerWaalsContact O-N 3.16Å; K122-A129 HydrophobicContact CB-CB 4.47Å; K122-A129 HydrophobicContact CG-CB 4.16Å; L125-A129 PolarHBondContact O-N 2.95Å; A129-G131 PolarHBondContact O-N 3.37Å; A129-G131 VanDerWaalsContact O-N 3.14Å; A129-F132 HydrophobicContact CB-CD2 3.96Å; A129-F132 HydrophobicContact CB-CE2 4.4Å; A129-F132 WeakPolarHBondContact O-CB 3.26Å; A129-F132 WeakPolarHBondContact O-CD2 3.12Å; A129-F132 PolarHBondContact O-N 2.88Å
130K96.4Very high98.1Very high135 Ų13554 Ų5459%0.58728%0.279SS*.G310 helixtrans-55-30.6174.9-63.8-169.7177.5172.80112.8R97 P126 M128 F132 F133R97-K130 HydrophobicContact CG-CB 4.36Å; P126-K130 WeakPolarHBondContact O-CG 3.38Å; M128-K130 PolarHBondContact O-N 3.09Å; K130-F132 PolarHBondContact O-N 2.9Å; K130-F133 PolarHBondContact O-N 3.44Å; K130-F133 VanDerWaalsContact O-N 3.16Å
131G95.2Very high98.1Very high0 Ų057.1 Ų57.10%030%0.295CS..G310 helixtrans-54.2-36.5176.400000112.9A129 F133 S134 I137A129-G131 PolarHBondContact O-N 3.37Å; A129-G131 VanDerWaalsContact O-N 3.14Å; G131-F133 PolarHBondContact O-N 3.46Å; G131-F133 VanDerWaalsContact O-N 3.13Å; G131-S134 WeakPolarHBondContact O-CB 3.32Å; G131-S134 PolarHBondContact O-N 3.08Å; G131-I137 WeakPolarHBondContact O-CG2 3.32Å
132F98.3Very high98Very high16 Ų1658 Ų587%0.0730%0.304CS..G310 helixtrans-66.9-12.7-178.2-67.5-69000114.7G91 G93 L96 L110 I118 K122 A129 K130 I137 L139G91-F132 WeakPolarHBondContact O-CZ 3.46Å; G93-F132 VanDerWaalsContact CA-CE2 3.48Å; L96-F132 HydrophobicContact CD2-CD1 4.08Å; L96-F132 HydrophobicContact CD2-CE1 4.34Å; L110-F132 HydrophobicContact CD1-CE1 4.19Å; L110-F132 HydrophobicContact CD1-CZ 4.37Å; L110-F132 HydrophobicContact CD2-CE1 4.23Å; I118-F132 HydrophobicContact CB-CZ 4.42Å; I118-F132 HydrophobicContact CG1-CE1 4.28Å; I118-F132 HydrophobicContact CG1-CZ 3.94Å; I118-F132 HydrophobicContact CG2-CD1 4.44Å; I118-F132 HydrophobicContact CG2-CE1 4.05Å; I118-F132 HydrophobicContact CG2-CE2 4.16Å; I118-F132 HydrophobicContact CG2-CZ 3.91Å; K122-F132 HydrophobicContact CG-CD2 4.34Å; A129-F132 HydrophobicContact CB-CD2 3.96Å; A129-F132 HydrophobicContact CB-CE2 4.4Å; A129-F132 WeakPolarHBondContact O-CB 3.26Å; A129-F132 WeakPolarHBondContact O-CD2 3.12Å; A129-F132 PolarHBondContact O-N 2.88Å; K130-F132 PolarHBondContact O-N 2.9Å; F132-I137 WeakPolarHBondContact O-CD1 3.44Å; F132-L139 HydrophobicContact CE1-CD1 4.12Å
133F97.4Very high97.7Very high159 Ų15958 Ų5870%0.69731%0.306SS*.G310 helixtrans-1012.8179.4-55.7-79.4000113.1K130 G131K130-F133 PolarHBondContact O-N 3.44Å; K130-F133 VanDerWaalsContact O-N 3.16Å; G131-F133 PolarHBondContact O-N 3.46Å; G131-F133 VanDerWaalsContact O-N 3.13Å
134S98Very high97.4Very high21 Ų2151.5 Ų51.515%0.14728%0.28CS..  trans-70.9141.4176.31700000111.1G131 K136 I137G131-S134 WeakPolarHBondContact O-CB 3.32Å; G131-S134 PolarHBondContact O-N 3.08Å; S134-K136 PolarHBondContact O-N 3.32Å; S134-K136 PolarHBondContact OG-N 3.41Å; S134-I137 WeakPolarHBondContact O-CG1 3.22Å; S134-I137 WeakPolarHBondContact O-CG2 3.4Å; S134-I137 PolarHBondContact O-N 3.19Å
135P98Very high97Very high133 Ų13351.5 Ų51.586%0.86428%0.281SS*.THydrogen-bonded Turntrans-70.8-9.117530.8-36.5000113.2I137P135-I137 VanDerWaalsContact C-N 3.29Å
136K98.3Very high96.8Very high53 Ų5355.4 Ų55.423%0.2330%0.299CS..THydrogen-bonded Turntrans-82.7-4.7-178.9-59179.8177.8-176.30113.3V100 H102 V105 S107 A108 S134V100-K136 HydrophobicContact CB-CD 4.28Å; V100-K136 HydrophobicContact CG1-CB 4.3Å; V100-K136 HydrophobicContact CG1-CD 4.48Å; V100-K136 PolarHBondContact O-NZ 3.4Å; V100-K136 VanDerWaalsContact O-NZ 3.08Å; H102-K136 PolarHBondContact O-NZ 3.35Å; V105-K136 VanDerWaalsContact O-CD 3.32Å; V105-K136 WeakPolarHBondContact O-CD 3.39Å; V105-K136 WeakPolarHBondContact O-CE 3.22Å; V105-K136 PolarHBondContact O-NZ 2.93Å; S107-K136 WeakPolarHBondContact CA-O 3.35Å; A108-K136 PolarHBondContact N-O 2.99Å; S134-K136 PolarHBondContact O-N 3.32Å; S134-K136 PolarHBondContact OG-N 3.41Å
137I98.2Very high96.7Very high43 Ų4353.2 Ų53.222%0.22128%0.283CS..EExtended strand (participates in β ladder)trans-88.6149.4-166.478.5159.6000112.7L96 V100 A108 G131 F132 S134 P135L96-I137 HydrophobicContact CD1-CG2 3.98Å; L96-I137 HydrophobicContact CD2-CB 4.49Å; L96-I137 HydrophobicContact CD2-CG2 3.88Å; L96-I137 HydrophobicContact CG-CG2 4.21Å; V100-I137 HydrophobicContact CG1-CG2 4.45Å; A108-I137 CarbonylContact O-C 3.6Å; A108-I137 VanDerWaalsContact O-CA 3.27Å; A108-I137 WeakPolarHBondContact O-CA 3.3Å; G131-I137 WeakPolarHBondContact O-CG2 3.32Å; F132-I137 WeakPolarHBondContact O-CD1 3.44Å; S134-I137 WeakPolarHBondContact O-CG1 3.22Å; S134-I137 WeakPolarHBondContact O-CG2 3.4Å; S134-I137 PolarHBondContact O-N 3.19Å; P135-I137 VanDerWaalsContact C-N 3.29Å
138T98.6Very high96.5Very high79 Ų7951.8 Ų51.849%0.48527%0.268SS..EExtended strand (participates in β ladder)trans-131.6115.8158.4-62.50000107.7A108 V109 L110A108-T138 PolarHBondContact O-N 2.71Å; V109-T138 VanDerWaalsContact CA-O 3.31Å; V109-T138 WeakPolarHBondContact CA-O 3.34Å; L110-T138 PolarHBondContact N-O 3.41Å
139L98.4Very high96.4Very high68 Ų6856.3 Ų56.336%0.35629%0.288SS..EExtended strand (participates in β ladder)trans-91.2129.9-180-178.361.5000110.2L110 I118 F132 I141L110-L139 HydrophobicContact CB-CD1 4.38Å; L110-L139 HydrophobicContact CD2-CD1 3.57Å; I118-L139 HydrophobicContact CD1-CD1 3.95Å; I118-L139 HydrophobicContact CD1-CD2 4.26Å; F132-L139 HydrophobicContact CE1-CD1 4.12Å; L139-I141 HydrophobicContact CD1-CD1 4.18Å; L139-I141 HydrophobicContact CD2-CD1 4.13Å; L139-I141 HydrophobicContact CG-CD1 4.04Å
140H98.5Very high96.2Very high70 Ų7063.7 Ų63.732%0.32432%0.32SS..EExtended strand (participates in β ladder)trans-119.3127.6169.6-169.266.7000109.3L110 C111 E112 F147L110-H140 PolarHBondContact O-N 3.48Å; C111-H140 WeakPolarHBondContact CA-O 3.33Å; C111-H140 HydrophobicContact CB-CB 4.44Å; E112-H140 PolarHBondContact N-O 3.25Å; H140-F147 HydrophobicContact CB-CD2 4.43Å; H140-F147 HydrophobicContact CB-CE2 4.16Å; H140-F147 AromaticContact CD2-CD2 3.28Å; H140-F147 WeakPolarHBondContact CD2-CD2 3.47Å; H140-F147 AromaticContact CD2-CE2 3.8Å; H140-F147 AromaticContact CG-CD2 3.82Å; H140-F147 AromaticContact CG-CE2 3.84Å; H140-F147 AromaticContact NE2-CD2 3.64Å
141I98.3Very high96.2Very high74 Ų7458.8 Ų58.838%0.37930%0.3SS..EExtended strand (participates in β ladder)trans-96.9113.7172.2-53.7-57.2000107.9E112 E115 I118 L139E112-I141 CarbonylContact O-C 3.56Å; E112-I141 VanDerWaalsContact O-CA 3.26Å; E112-I141 WeakPolarHBondContact O-CA 3.43Å; E115-I141 HydrophobicContact CB-CG2 4.19Å; I118-I141 HydrophobicContact CD1-CD1 3.38Å; L139-I141 HydrophobicContact CD1-CD1 4.18Å; L139-I141 HydrophobicContact CD2-CD1 4.13Å; L139-I141 HydrophobicContact CG-CD1 4.04Å
142G95.6Very high96.4Very high18 Ų1864.4 Ų64.419%0.18633%0.327CS..SBendtrans163173.8-179.400000114.2C111 E112 I113 G144C111-G142 PolarHBondContact SG-O 3.01Å; E112-G142 CarbonylContact C-O 3.36Å; E112-G142 PolarHBondContact O-N 2.85Å; I113-G142 WeakPolarHBondContact CA-O 3.48Å; I113-G142 PolarHBondContact N-O 3.49Å; G142-G144 PolarHBondContact O-N 3.24Å
143D92.5Very high96.3Very high66 Ų6668.5 Ų68.535%0.35335%0.349SS..  trans-65.3121.9178.4-177.5-24.7000111.2I113 F145 E146 F147I113-D143 HydrophobicContact CD1-CB 4.16Å; D143-F145 VanDerWaalsContact C-N 3.31Å; D143-F145 PolarHBondContact O-N 3.24Å; D143-F145 WeakPolarHBondContact OD1-CA 3.36Å; D143-F145 WeakPolarHBondContact OD1-CB 3.49Å; D143-F145 PolarHBondContact OD1-N 2.95Å; D143-E146 HydrophobicContact CB-CB 4.27Å; D143-E146 HydrophobicContact CB-CG 4.3Å; D143-E146 PolarHBondContact O-N 2.8Å; D143-F147 WeakPolarHBondContact O-CB 3.33Å; D143-F147 PolarHBondContact O-N 2.68Å
144G92.4Very high96.4Very high7 Ų761.9 Ų61.97%0.07232%0.324CS..Hα-helixtrans-62.4-31.8178.600000114.5G142 M148G142-G144 PolarHBondContact O-N 3.24Å; G144-M148 WeakPolarHBondContact O-CB 3.45Å; G144-M148 VanDerWaalsContact O-CG 3.28Å; G144-M148 WeakPolarHBondContact O-CG 3.38Å; G144-M148 PolarHBondContact O-N 2.86Å
145F91.5Very high96.4Very high37 Ų3761.4 Ų61.416%0.16232%0.319CS..Hα-helixtrans-66.1-46.3175.5-169-86.7000110.9D143 M148 K149 Y177 L180D143-F145 VanDerWaalsContact C-N 3.31Å; D143-F145 PolarHBondContact O-N 3.24Å; D143-F145 WeakPolarHBondContact OD1-CA 3.36Å; D143-F145 WeakPolarHBondContact OD1-CB 3.49Å; D143-F145 PolarHBondContact OD1-N 2.95Å; F145-M148 PolarHBondContact O-N 2.82Å; F145-K149 PolarHBondContact O-N 3.12Å; F145-Y177 AromaticContact CD2-CD2 3.62Å; F145-Y177 HydrophobicContact CD2-CD2 3.62Å; F145-Y177 HydrophobicContact CD2-CG 4.22Å; F145-Y177 HydrophobicContact CE2-CD2 4.24Å; F145-Y177 HydrophobicContact CG-CD2 4.45Å; F145-L180 HydrophobicContact CD1-CD1 4.14Å; F145-L180 HydrophobicContact CD2-CD1 4.1Å; F145-L180 HydrophobicContact CE1-CD1 3.88Å; F145-L180 HydrophobicContact CE2-CD1 3.83Å; F145-L180 HydrophobicContact CG-CD1 4.23Å; F145-L180 HydrophobicContact CZ-CD1 3.7Å
146E93.5Very high96.5Very high82 Ų8255.8 Ų55.838%0.38328%0.282SS..Hα-helixtrans-69.9-36.4175.8-67.8-54.8133.100112.4D143 M148 K149D143-E146 HydrophobicContact CB-CB 4.27Å; D143-E146 HydrophobicContact CB-CG 4.3Å; D143-E146 PolarHBondContact O-N 2.8Å; E146-M148 PolarHBondContact O-N 3Å; E146-K149 VanDerWaalsContact CD-NZ 3.33Å; E146-K149 PolarHBondContact O-N 3.16Å; E146-K149 WeakPolarHBondContact OE1-CE 3.39Å; E146-K149 IonicContact OE1-NZ 3.54Å; E146-K149 PolarHBondContact OE1-NZ 2.97Å; E146-K149 IonicContact OE2-NZ 3.78Å; E146-K149 PolarHBondContact OE2-NZ 3.21Å
147F96Very high96.5Very high25 Ų2553.3 Ų53.311%0.1127%0.271CS..Hα-helixtrans-60.1-39.7171.6-173.6-96.5000110.7L86 I88 V109 C111 H140 D143 K149 K150 N151 F155L86-F147 HydrophobicContact CD1-CD1 4.16Å; L86-F147 HydrophobicContact CD1-CE1 3.63Å; L86-F147 HydrophobicContact CD2-CD1 4.35Å; L86-F147 HydrophobicContact CD2-CE1 4.19Å; I88-F147 HydrophobicContact CD1-CD1 4.31Å; V109-F147 HydrophobicContact CG1-CE1 4.25Å; V109-F147 HydrophobicContact CG1-CZ 3.88Å; C111-F147 HydrophobicContact CB-CD1 4.26Å; C111-F147 HydrophobicContact CB-CG 4.29Å; H140-F147 HydrophobicContact CB-CD2 4.43Å; H140-F147 HydrophobicContact CB-CE2 4.16Å; H140-F147 AromaticContact CD2-CD2 3.28Å; H140-F147 WeakPolarHBondContact CD2-CD2 3.47Å; H140-F147 AromaticContact CD2-CE2 3.8Å; H140-F147 AromaticContact CG-CD2 3.82Å; H140-F147 AromaticContact CG-CE2 3.84Å; H140-F147 AromaticContact NE2-CD2 3.64Å; D143-F147 WeakPolarHBondContact O-CB 3.33Å; D143-F147 PolarHBondContact O-N 2.68Å; F147-K149 PolarHBondContact O-N 2.76Å; F147-K150 PolarHBondContact O-N 3.14Å; F147-K150 VanDerWaalsContact O-N 3.14Å; F147-N151 WeakPolarHBondContact CE1-ND2 3.42Å; F147-N151 WeakPolarHBondContact CZ-ND2 3.25Å; F147-N151 PolarHBondContact O-ND2 2.69Å; F147-F155 HydrophobicContact CE1-CZ 4.33Å
148M95.1Very high96.5Very high0 Ų051.2 Ų51.20%026%0.26CS..Hα-helixtrans-65.5-35.8-179.1-81.9-78.368.600114.3L86 G144 F145 E146 K150 N151 F155 I158 Y177 L180 M181 A184L86-M148 HydrophobicContact CD2-CE 3.3Å; L86-M148 HydrophobicContact CD2-SD 3.7Å; G144-M148 WeakPolarHBondContact O-CB 3.45Å; G144-M148 VanDerWaalsContact O-CG 3.28Å; G144-M148 WeakPolarHBondContact O-CG 3.38Å; G144-M148 PolarHBondContact O-N 2.86Å; F145-M148 PolarHBondContact O-N 2.82Å; E146-M148 PolarHBondContact O-N 3Å; M148-K150 PolarHBondContact O-N 2.87Å; M148-K150 VanDerWaalsContact O-N 3.15Å; M148-N151 HydrophobicContact CE-CB 3.79Å; M148-N151 PolarHBondContact O-N 2.9Å; M148-F155 HydrophobicContact CE-CD2 4.4Å; M148-F155 HydrophobicContact CE-CE2 4.1Å; M148-I158 HydrophobicContact CE-CD1 4.41Å; M148-I158 HydrophobicContact SD-CD1 3.89Å; M148-Y177 HydrophobicContact CG-CE2 4.01Å; M148-L180 HydrophobicContact CB-CB 3.98Å; M148-L180 HydrophobicContact CB-CD1 4.34Å; M148-M181 HydrophobicContact SD-CG 4.24Å; M148-A184 HydrophobicContact CE-CB 3.2Å; M148-A184 HydrophobicContact SD-CB 3.69Å
149K94.8Very high96.6Very high96 Ų9647.5 Ų47.542%0.41724%0.237SC..Hα-helixtrans-58.9-27.5174.2-65.2177.8-171.8168.10113.7F145 E146 F147 L180F145-K149 PolarHBondContact O-N 3.12Å; E146-K149 VanDerWaalsContact CD-NZ 3.33Å; E146-K149 PolarHBondContact O-N 3.16Å; E146-K149 WeakPolarHBondContact OE1-CE 3.39Å; E146-K149 IonicContact OE1-NZ 3.54Å; E146-K149 PolarHBondContact OE1-NZ 2.97Å; E146-K149 IonicContact OE2-NZ 3.78Å; E146-K149 PolarHBondContact OE2-NZ 3.21Å; F147-K149 PolarHBondContact O-N 2.76Å; K149-L180 HydrophobicContact CG-CD1 3.89Å; K149-L180 HydrophobicContact CG-CD2 3.88Å
150K96Very high96.6Very high156 Ų15644.2 Ų44.268%0.67822%0.22SC*.THydrogen-bonded Turntrans-85.8-7.5-175.8-61.8173.4-172.9170.30113.5F147 M148F147-K150 PolarHBondContact O-N 3.14Å; F147-K150 VanDerWaalsContact O-N 3.14Å; M148-K150 PolarHBondContact O-N 2.87Å; M148-K150 VanDerWaalsContact O-N 3.15Å
151N96.4Very high96.5Very high32 Ų3241.6 Ų41.617%0.17121%0.209CC..  trans-119.2134.2-173.9-69-85.3000110.9F147 M148 A154 F155 A184F147-N151 WeakPolarHBondContact CE1-ND2 3.42Å; F147-N151 WeakPolarHBondContact CZ-ND2 3.25Å; F147-N151 PolarHBondContact O-ND2 2.69Å; M148-N151 HydrophobicContact CE-CB 3.79Å; M148-N151 PolarHBondContact O-N 2.9Å; N151-A154 HydrophobicContact CB-CB 4.27Å; N151-F155 HydrophobicContact CB-CE2 3.87Å; N151-A184 HydrophobicContact CB-CB 4.23Å; N151-A184 WeakPolarHBondContact O-CA 3.3Å; N151-A184 WeakPolarHBondContact O-CB 3.31Å
152Q97.6Very high96.1Very high118 Ų11838.8 Ų38.855%0.55120%0.195SC*.SBendtrans-140.8132.5-179.2-64.7-66.4-18.600108.3A154 A183Q152-A154 PolarHBondContact O-N 3.46Å; Q152-A154 VanDerWaalsContact O-N 3.12Å; Q152-A183 VanDerWaalsContact OE1-C 3.31Å; Q152-A183 PolarHBondContact OE1-O 3.42Å
153D98.1Very high95.7Very high101 Ų10139.5 Ų39.554%0.5420%0.198SC..SBendtrans49.538.3178.7-164.149.5000113.6A183 A184 R186 S187D153-A183 PolarHBondContact N-O 2.77Å; D153-A184 PolarHBondContact N-O 2.86Å; D153-R186 VanDerWaalsContact C-CG 3.48Å; D153-R186 VanDerWaalsContact O-CG 3.22Å; D153-R186 WeakPolarHBondContact O-CG 3.42Å; D153-R186 PolarHBondContact O-NE 3.08Å; D153-R186 WeakPolarHBondContact OD1-CA 3.17Å; D153-S187 PolarHBondContact OD1-N 2.78Å
154A98.4Very high95.1Very high21 Ų2137.2 Ų37.217%0.17419%0.185CC..  trans-104.2-33.9-165.500000113.8K84 N151 Q152 A184 R186K84-A154 WeakPolarHBondContact CD-O 3.5Å; N151-A154 HydrophobicContact CB-CB 4.27Å; Q152-A154 PolarHBondContact O-N 3.46Å; Q152-A154 VanDerWaalsContact O-N 3.12Å; A154-A184 PolarHBondContact N-O 3.4Å; A154-R186 PolarHBondContact O-NE 2.99Å
155F98.8Very high94.6Very high11 Ų1138 Ų385%0.04819%0.189CC..EExtended strand (participates in β ladder)trans-122.2140.3-168-56.8-73.7000112.5K84 L86 V109 F147 M148 N151 I158 A184 L185 R186K84-F155 HydrophobicContact CB-CD1 4.34Å; L86-F155 HydrophobicContact CB-CB 4.44Å; L86-F155 HydrophobicContact CB-CD1 3.7Å; L86-F155 HydrophobicContact CB-CD2 3.95Å; L86-F155 HydrophobicContact CB-CE1 3.84Å; L86-F155 HydrophobicContact CB-CE2 4.09Å; L86-F155 HydrophobicContact CB-CG 3.75Å; L86-F155 HydrophobicContact CB-CZ 4.04Å; L86-F155 HydrophobicContact CD1-CZ 4.21Å; L86-F155 HydrophobicContact CD2-CD2 3.93Å; L86-F155 HydrophobicContact CD2-CE2 3.7Å; L86-F155 HydrophobicContact CD2-CZ 4.16Å; L86-F155 HydrophobicContact CG-CE2 4.36Å; L86-F155 HydrophobicContact CG-CZ 4.39Å; V109-F155 HydrophobicContact CB-CE1 4.21Å; V109-F155 HydrophobicContact CG2-CE1 3.88Å; V109-F155 HydrophobicContact CG2-CZ 4.39Å; F147-F155 HydrophobicContact CE1-CZ 4.33Å; M148-F155 HydrophobicContact CE-CD2 4.4Å; M148-F155 HydrophobicContact CE-CE2 4.1Å; N151-F155 HydrophobicContact CB-CE2 3.87Å; F155-I158 HydrophobicContact CB-CG1 3.96Å; F155-I158 HydrophobicContact CD2-CD1 4.44Å; F155-I158 HydrophobicContact CD2-CG1 4.43Å; F155-I158 HydrophobicContact CG-CG1 4.45Å; F155-A184 HydrophobicContact CD2-CB 4.46Å; F155-A184 PolarHBondContact N-O 2.77Å; F155-L185 CarbonylContact O-C 3.53Å; F155-L185 WeakPolarHBondContact O-CA 3.45Å; F155-R186 WeakPolarHBondContact O-CB 3.31Å; F155-R186 PolarHBondContact O-N 2.87Å
156D98.9Very high93.9Very high15 Ų1540.2 Ų40.28%0.0821%0.206CC..EExtended strand (participates in β ladder)trans-80.1-37.2172.4-49.9-49.5000109.9K83 K84 R186 G189 I190K83-D156 WeakPolarHBondContact CA-OD2 3.45Å; K83-D156 WeakPolarHBondContact CB-OD2 3.33Å; K83-D156 PolarHBondContact N-OD2 3.25Å; K84-D156 PolarHBondContact N-OD2 2.99Å; K84-D156 PolarHBondContact O-N 3.17Å; D156-R186 WeakPolarHBondContact OD1-CD 3.32Å; D156-R186 IonicContact OD1-CZ 3.81Å; D156-R186 IonicContact OD1-NE 3.84Å; D156-R186 IonicContact OD1-NH1 2.94Å; D156-R186 PolarHBondContact OD1-NH1 2.91Å; D156-R186 IonicContact OD2-NH1 3.46Å; D156-R186 PolarHBondContact OD2-NH1 3.17Å; D156-G189 CarbonylContact O-C 3.17Å; D156-G189 WeakPolarHBondContact O-CA 3.46Å; D156-I190 PolarHBondContact O-N 3.28Å
157I98.9Very high93.1Very high0 Ų038.7 Ų38.70%021%0.212CC..EExtended strand (participates in β ladder)trans-126.5137.3176.1-56.1-62.1000110.5P75 L76 H79 P82 K84 V85 L86 I159 I190P75-I157 HydrophobicContact CB-CD1 4.19Å; P75-I157 HydrophobicContact CB-CG2 3.87Å; P75-I157 HydrophobicContact CG-CG2 4.13Å; L76-I157 HydrophobicContact CD2-CG1 4.11Å; H79-I157 HydrophobicContact CB-CD1 3.66Å; P82-I157 HydrophobicContact CB-CD1 4.29Å; P82-I157 HydrophobicContact CB-CG1 3.66Å; K84-I157 PolarHBondContact O-N 3.14Å; V85-I157 CarbonylContact C-O 3.51Å; V85-I157 WeakPolarHBondContact CA-O 3.32Å; V85-I157 HydrophobicContact CB-CB 4.5Å; V85-I157 HydrophobicContact CG1-CB 4.13Å; V85-I157 HydrophobicContact CG1-CG2 4.13Å; V85-I157 HydrophobicContact CG2-CB 4.16Å; L86-I157 PolarHBondContact N-O 3.42Å; I157-I159 HydrophobicContact CG2-CD1 4.36Å; I157-I159 HydrophobicContact CG2-CG1 3.97Å; I157-I190 CarbonylContact C-O 3.52Å; I157-I190 VanDerWaalsContact CA-O 3.26Å; I157-I190 WeakPolarHBondContact CA-O 3.47Å; I157-I190 HydrophobicContact CD1-CB 3.76Å; I157-I190 HydrophobicContact CD1-CG2 4.3Å
158I98.9Very high91.9Very high0 Ų040 Ų400%022%0.223CC..EExtended strand (participates in β ladder)trans-119.6127165.1-60.6178.3000108.9L86 M148 F155 M181 A184 L185 I190 L191 C192L86-I158 HydrophobicContact CB-CG1 4.17Å; L86-I158 HydrophobicContact CD2-CD1 4.41Å; L86-I158 HydrophobicContact CD2-CG1 4.31Å; L86-I158 HydrophobicContact CD2-CG2 4.26Å; L86-I158 CarbonylContact O-C 3.57Å; L86-I158 WeakPolarHBondContact O-CA 3.38Å; M148-I158 HydrophobicContact CE-CD1 4.41Å; M148-I158 HydrophobicContact SD-CD1 3.89Å; F155-I158 HydrophobicContact CB-CG1 3.96Å; F155-I158 HydrophobicContact CD2-CD1 4.44Å; F155-I158 HydrophobicContact CD2-CG1 4.43Å; F155-I158 HydrophobicContact CG-CG1 4.45Å; I158-M181 HydrophobicContact CD1-CB 4.24Å; I158-M181 HydrophobicContact CD1-CG 4.45Å; I158-M181 HydrophobicContact CG2-CG 4.21Å; I158-M181 HydrophobicContact CG2-SD 3.92Å; I158-A184 HydrophobicContact CD1-CB 3.87Å; I158-L185 HydrophobicContact CB-CD2 4.21Å; I158-L185 HydrophobicContact CD1-CD2 3.88Å; I158-L185 HydrophobicContact CD1-CG 3.74Å; I158-L185 HydrophobicContact CG1-CD2 3.63Å; I158-L185 HydrophobicContact CG1-CG 4.08Å; I158-I190 PolarHBondContact N-O 2.95Å; I158-L191 HydrophobicContact CB-CB 4.33Å; I158-L191 CarbonylContact O-C 3.51Å; I158-L191 WeakPolarHBondContact O-CA 3.05Å; I158-C192 PolarHBondContact O-N 3.36Å
159I98.9Very high91.2Very high0 Ų040.2 Ų40.20%023%0.225CC..EExtended strand (participates in β ladder)trans-111127.4172.1-63.3166.4000108.2I71 P75 V85 L86 I87 I88 V95 V99 I157 D161 C192I71-I159 HydrophobicContact CD1-CG2 3.95Å; I71-I159 HydrophobicContact CG1-CG2 3.84Å; P75-I159 HydrophobicContact CG-CD1 4.25Å; P75-I159 HydrophobicContact CG-CG1 4.14Å; V85-I159 HydrophobicContact CG1-CD1 4.37Å; L86-I159 PolarHBondContact O-N 2.83Å; I87-I159 CarbonylContact C-O 3.46Å; I87-I159 WeakPolarHBondContact CA-O 3.42Å; I87-I159 HydrophobicContact CG1-CB 4.5Å; I88-I159 PolarHBondContact N-O 2.97Å; V95-I159 HydrophobicContact CG1-CD1 3.95Å; V95-I159 HydrophobicContact CG1-CG2 4.04Å; V99-I159 HydrophobicContact CG2-CD1 3.84Å; I157-I159 HydrophobicContact CG2-CD1 4.36Å; I157-I159 HydrophobicContact CG2-CG1 3.97Å; I159-D161 HydrophobicContact CG2-CB 4.37Å; I159-C192 CarbonylContact C-O 3.56Å; I159-C192 VanDerWaalsContact CA-O 3.22Å; I159-C192 WeakPolarHBondContact CA-O 3.49Å
160T98.6Very high90.6Very high0 Ų040.2 Ų40.20%023%0.227CC..EExtended strand (participates in β ladder)trans-106104168-58.10000108I88 L172 Y177 C192 Q194I88-T160 HydrophobicContact CB-CG2 4.49Å; T160-L172 HydrophobicContact CG2-CB 4.28Å; T160-L172 HydrophobicContact CG2-CD1 4.13Å; T160-Y177 HydrophobicContact CG2-CE1 4.03Å; T160-Y177 WeakPolarHBondContact OG1-CE1 3.11Å; T160-Y177 PolarHBondContact OG1-OH 2.71Å; T160-C192 PolarHBondContact N-O 2.83Å; T160-Q194 PolarHBondContact O-N 3.5Å
161D97.1Very high90.1Very high15 Ų1534.9 Ų34.98%0.0821%0.209CC..EExtended strand (participates in β ladder)trans-104.675.9178.7-178.117.6000108.7Y67 I71 I87 I88 G89 G90 V95 I159Y67-D161 WeakPolarHBondContact CE1-OD1 3.43Å; Y67-D161 VanDerWaalsContact CZ-OD1 3.27Å; Y67-D161 PolarHBondContact OH-OD1 3.38Å; I71-D161 HydrophobicContact CD1-CB 4.42Å; I87-D161 HydrophobicContact CG2-CB 4.47Å; I88-D161 PolarHBondContact O-N 2.74Å; G89-D161 WeakPolarHBondContact CA-O 3.46Å; G90-D161 WeakPolarHBondContact CA-OD2 3.3Å; G90-D161 PolarHBondContact N-O 3.27Å; V95-D161 HydrophobicContact CG2-CB 4.2Å; V95-D161 WeakPolarHBondContact CG2-OD2 3.14Å; I159-D161 HydrophobicContact CG2-CB 4.37Å
162S90.7Very high89.6Confident14 Ų1434.2 Ų34.210%0.09821%0.205CC..  trans-106.7159.7-17664.50000112.2
163S86Confident89.3Confident33 Ų3329 Ų2923%0.23118%0.181CC..  trans-66179.716264.50000111.7A169S163-A169 WeakPolarHBondContact OG-CB 3.33Å
164D81.4Confident89.1Confident18 Ų1829 Ų2910%0.09618%0.176CC..  trans-51.9157.6173.6-56.2-51.9000112.6W16 V56 V166 A169W16-D164 VanDerWaalsContact CH2-OD2 3.24Å; W16-D164 WeakPolarHBondContact CH2-OD2 3.25Å; W16-D164 WeakPolarHBondContact CZ3-OD2 3.16Å; V56-D164 WeakPolarHBondContact CG1-OD2 3.42Å; D164-V166 PolarHBondContact O-N 2.95Å; D164-A169 WeakPolarHBondContact O-CB 3.47Å
165P81.6Confident89Confident24 Ų2431.8 Ų31.816%0.15619%0.185CC..SBendtrans-70.952.2-179.130.6-39.2000114.1M15 F173 E196 L204M15-P165 HydrophobicContact CE-CG 3.61Å; M15-P165 HydrophobicContact SD-CG 4.46Å; P165-F173 HydrophobicContact CB-CB 4.23Å; P165-F173 HydrophobicContact CB-CD1 4.29Å; P165-F173 HydrophobicContact CB-CD2 3.55Å; P165-F173 HydrophobicContact CB-CE2 3.88Å; P165-F173 HydrophobicContact CB-CG 3.77Å; P165-F173 HydrophobicContact CB-CZ 4.39Å; P165-E196 WeakPolarHBondContact CD-OE1 3.46Å; P165-L204 HydrophobicContact CG-CD2 4.13Å
166V76.7Confident88.9Confident83 Ų8333.7 Ų33.750%0.50320%0.203SC..SBendtrans-130.2148.2176.6-174.10000108.4M15 D164 A169M15-V166 HydrophobicContact CG-CG2 4.06Å; M15-V166 HydrophobicContact SD-CG2 4.42Å; D164-V166 PolarHBondContact O-N 2.95Å; V166-A169 PolarHBondContact O-N 2.6Å
167G76.8Confident88.8Confident51 Ų5133 Ų3353%0.52620%0.199SC..G310 helixtrans61.8-131177.600000112A169 E170G167-A169 PolarHBondContact O-N 3.23Å; G167-E170 PolarHBondContact O-N 2.94Å
168P71.1Confident88.7Confident52 Ų5233 Ų3334%0.33820%0.199SC..G310 helixtrans-66.1-20.5-172.927.6-34.3000114
169A79.4Confident88.7Confident4 Ų437.4 Ų37.43%0.03322%0.22CC..G310 helixtrans-87.8-10.4-177.600000114.1S163 D164 V166 G167 S171 L172 F173S163-A169 WeakPolarHBondContact OG-CB 3.33Å; D164-A169 WeakPolarHBondContact O-CB 3.47Å; V166-A169 PolarHBondContact O-N 2.6Å; G167-A169 PolarHBondContact O-N 3.23Å; A169-S171 VanDerWaalsContact C-N 3.26Å; A169-S171 PolarHBondContact O-N 2.89Å; A169-S171 VanDerWaalsContact O-N 3.14Å; A169-L172 HydrophobicContact CB-CD1 4.35Å; A169-L172 VanDerWaalsContact O-CB 3.31Å; A169-L172 WeakPolarHBondContact O-CB 3.09Å; A169-L172 PolarHBondContact O-N 2.99Å; A169-F173 WeakPolarHBondContact O-CD2 3.4Å
170E82.1Confident88.7Confident97 Ų9739 Ų3945%0.45323%0.228SC..G310 helixtrans-55.4-39.8-174.3-170.2-167.6164.800112.9G167 L172 F173 K174G167-E170 PolarHBondContact O-N 2.94Å; E170-L172 PolarHBondContact O-N 2.96Å; E170-F173 PolarHBondContact O-N 2.91Å; E170-K174 WeakPolarHBondContact OE1-CE 3.19Å; E170-K174 IonicContact OE1-NZ 3.83Å; E170-K174 PolarHBondContact OE1-NZ 3.36Å
171S84.8Confident88.7Confident44 Ų4439 Ų3931%0.30823%0.228SC..G310 helixtrans-65.4-23.9179.548.70000113.5A169 F173 K174 Y177A169-S171 VanDerWaalsContact C-N 3.26Å; A169-S171 PolarHBondContact O-N 2.89Å; A169-S171 VanDerWaalsContact O-N 3.14Å; S171-F173 PolarHBondContact O-N 3.48Å; S171-K174 PolarHBondContact O-N 2.81Å; S171-Y177 WeakPolarHBondContact O-CB 3.45Å
172L87.5Confident88.7Confident17 Ų1742 Ų429%0.08924%0.24CC..G310 helixtrans-75-11.5-176.8-52.7179.4000112.8I88 T160 A169 E170 Y177I88-L172 HydrophobicContact CG2-CD1 4.45Å; I88-L172 HydrophobicContact CG2-CD2 4.47Å; T160-L172 HydrophobicContact CG2-CB 4.28Å; T160-L172 HydrophobicContact CG2-CD1 4.13Å; A169-L172 HydrophobicContact CB-CD1 4.35Å; A169-L172 VanDerWaalsContact O-CB 3.31Å; A169-L172 WeakPolarHBondContact O-CB 3.09Å; A169-L172 PolarHBondContact O-N 2.99Å; E170-L172 PolarHBondContact O-N 2.96Å; L172-Y177 HydrophobicContact CB-CD1 4.18Å; L172-Y177 HydrophobicContact CB-CE1 4.11Å; L172-Y177 HydrophobicContact CD2-CD1 4.31Å; L172-Y177 HydrophobicContact CD2-CD2 3.92Å; L172-Y177 HydrophobicContact CD2-CE1 4Å; L172-Y177 HydrophobicContact CD2-CE2 3.59Å; L172-Y177 HydrophobicContact CD2-CG 4.26Å; L172-Y177 WeakPolarHBondContact O-CD1 3.49Å
173F91.1Very high89.1Confident9 Ų942.9 Ų42.94%0.03925%0.248CC..G310 helixtrans-102.24178.9-69-99.3000113.6P165 A169 E170 S171 E196 M208P165-F173 HydrophobicContact CB-CB 4.23Å; P165-F173 HydrophobicContact CB-CD1 4.29Å; P165-F173 HydrophobicContact CB-CD2 3.55Å; P165-F173 HydrophobicContact CB-CE2 3.88Å; P165-F173 HydrophobicContact CB-CG 3.77Å; P165-F173 HydrophobicContact CB-CZ 4.39Å; A169-F173 WeakPolarHBondContact O-CD2 3.4Å; E170-F173 PolarHBondContact O-N 2.91Å; S171-F173 PolarHBondContact O-N 3.48Å; F173-E196 HydrophobicContact CE1-CG 4.03Å; F173-M208 HydrophobicContact CD1-CE 3.86Å; F173-M208 HydrophobicContact CD1-SD 3.76Å; F173-M208 HydrophobicContact CE1-CE 4.45Å; F173-M208 HydrophobicContact CE1-SD 4.44Å
174K92.8Very high89.7Confident101 Ų10141.3 Ų41.344%0.43924%0.237SC..SBendtrans-96.5152.2-176.9-50.1-63.7-177.3-1790111.7E170 S171 A176 Y177 F178E170-K174 WeakPolarHBondContact OE1-CE 3.19Å; E170-K174 IonicContact OE1-NZ 3.83Å; E170-K174 PolarHBondContact OE1-NZ 3.36Å; S171-K174 PolarHBondContact O-N 2.81Å; K174-A176 PolarHBondContact O-N 3.21Å; K174-A176 VanDerWaalsContact O-N 3.14Å; K174-Y177 WeakPolarHBondContact O-CB 3.48Å; K174-Y177 PolarHBondContact O-N 2.84Å; K174-F178 PolarHBondContact O-N 2.83Å
175E96.3Very high90.5Very high79 Ų7940.4 Ų40.437%0.36923%0.233SC..Hα-helixtrans-52.2-39.5177.3-172.9-174.1159.900112.8Y177 F178 Q179 F211 L215E175-Y177 VanDerWaalsContact C-N 3.25Å; E175-Y177 PolarHBondContact O-N 3.38Å; E175-F178 PolarHBondContact O-N 3.26Å; E175-F178 VanDerWaalsContact O-N 3.09Å; E175-Q179 HydrophobicContact CG-CG 4.48Å; E175-Q179 WeakPolarHBondContact O-CG 3.08Å; E175-Q179 PolarHBondContact O-N 3.46Å; E175-Q179 PolarHBondContact OE1-NE2 2.87Å; E175-F211 HydrophobicContact CB-CB 4.3Å; E175-F211 HydrophobicContact CB-CD1 4.34Å; E175-F211 HydrophobicContact CB-CD2 3.96Å; E175-F211 HydrophobicContact CB-CE2 4.4Å; E175-F211 HydrophobicContact CB-CG 3.98Å; E175-F211 HydrophobicContact CG-CB 4.04Å; E175-F211 HydrophobicContact CG-CD2 3.94Å; E175-F211 HydrophobicContact CG-CG 4.09Å; E175-L215 HydrophobicContact CG-CD1 4.06Å
176A96.4Very high91.3Very high51 Ų5142.4 Ų42.442%0.42124%0.237SC..Hα-helixtrans-57.2-37.217900000112.8K174 Q179 L180K174-A176 PolarHBondContact O-N 3.21Å; K174-A176 VanDerWaalsContact O-N 3.14Å; A176-Q179 PolarHBondContact O-N 3.1Å; A176-L180 WeakPolarHBondContact O-CG 3.47Å; A176-L180 PolarHBondContact O-N 2.84Å
177Y96.8Very high92.3Very high0 Ų043.6 Ų43.60%025%0.249CC..Hα-helixtrans-71.1-40.3176.5178.4-112.6000111.8I88 F145 M148 T160 S171 L172 K174 E175 Q179 L180 M181I88-Y177 WeakPolarHBondContact CG1-OH 3.2Å; F145-Y177 AromaticContact CD2-CD2 3.62Å; F145-Y177 HydrophobicContact CD2-CD2 3.62Å; F145-Y177 HydrophobicContact CD2-CG 4.22Å; F145-Y177 HydrophobicContact CE2-CD2 4.24Å; F145-Y177 HydrophobicContact CG-CD2 4.45Å; M148-Y177 HydrophobicContact CG-CE2 4.01Å; T160-Y177 HydrophobicContact CG2-CE1 4.03Å; T160-Y177 WeakPolarHBondContact OG1-CE1 3.11Å; T160-Y177 PolarHBondContact OG1-OH 2.71Å; S171-Y177 WeakPolarHBondContact O-CB 3.45Å; L172-Y177 HydrophobicContact CB-CD1 4.18Å; L172-Y177 HydrophobicContact CB-CE1 4.11Å; L172-Y177 HydrophobicContact CD2-CD1 4.31Å; L172-Y177 HydrophobicContact CD2-CD2 3.92Å; L172-Y177 HydrophobicContact CD2-CE1 4Å; L172-Y177 HydrophobicContact CD2-CE2 3.59Å; L172-Y177 HydrophobicContact CD2-CG 4.26Å; L172-Y177 WeakPolarHBondContact O-CD1 3.49Å; K174-Y177 WeakPolarHBondContact O-CB 3.48Å; K174-Y177 PolarHBondContact O-N 2.84Å; E175-Y177 VanDerWaalsContact C-N 3.25Å; E175-Y177 PolarHBondContact O-N 3.38Å; Y177-Q179 VanDerWaalsContact C-N 3.28Å; Y177-Q179 PolarHBondContact O-N 3.42Å; Y177-L180 WeakPolarHBondContact O-CA 3.49Å; Y177-L180 WeakPolarHBondContact O-CB 3.26Å; Y177-L180 PolarHBondContact O-N 3.02Å; Y177-M181 HydrophobicContact CD1-CE 3.58Å; Y177-M181 HydrophobicContact CD1-CG 4.43Å; Y177-M181 HydrophobicContact CD1-SD 4.22Å; Y177-M181 HydrophobicContact CE1-CE 3.47Å; Y177-M181 VanDerWaalsContact CE1-CE 3.47Å; Y177-M181 HydrophobicContact CE1-CG 4.03Å; Y177-M181 HydrophobicContact CE1-SD 3.57Å; Y177-M181 VanDerWaalsContact CE1-SD 3.57Å; Y177-M181 HydrophobicContact CE2-CG 4.42Å; Y177-M181 PolarHBondContact O-N 2.99Å
178F98.3Very high93.3Very high0 Ų042 Ų420%023%0.232CC..Hα-helixtrans-64.9-31.5174.7-80.2-104.7000112.7K174 E175 M181 K182 L191 M208 F211 C212 L215 F216 M237K174-F178 PolarHBondContact O-N 2.83Å; E175-F178 PolarHBondContact O-N 3.26Å; E175-F178 VanDerWaalsContact O-N 3.09Å; F178-M181 HydrophobicContact CB-CE 4.22Å; F178-M181 HydrophobicContact CD1-CE 3.51Å; F178-M181 HydrophobicContact CD2-CE 3.72Å; F178-M181 HydrophobicContact CE1-CE 3.68Å; F178-M181 HydrophobicContact CE2-CE 3.87Å; F178-M181 HydrophobicContact CG-CE 3.54Å; F178-M181 HydrophobicContact CZ-CE 3.85Å; F178-M181 PolarHBondContact O-N 3.13Å; F178-K182 WeakPolarHBondContact O-CB 3.25Å; F178-K182 PolarHBondContact O-N 2.86Å; F178-L191 HydrophobicContact CD1-CD1 4.22Å; F178-L191 HydrophobicContact CD1-CD2 4.18Å; F178-L191 HydrophobicContact CE1-CD1 3.78Å; F178-M208 HydrophobicContact CE2-CE 3.94Å; F178-M208 HydrophobicContact CZ-CE 3.69Å; F178-F211 HydrophobicContact CB-CE2 3.97Å; F178-F211 HydrophobicContact CD1-CE2 4.2Å; F178-F211 AromaticContact CD2-CE2 3.61Å; F178-F211 HydrophobicContact CD2-CE2 3.61Å; F178-F211 AromaticContact CD2-CZ 3.88Å; F178-F211 HydrophobicContact CD2-CZ 3.88Å; F178-F211 HydrophobicContact CE2-CE2 4.12Å; F178-F211 HydrophobicContact CE2-CZ 4.06Å; F178-F211 AromaticContact CG-CE2 3.66Å; F178-F211 HydrophobicContact CG-CE2 3.66Å; F178-F211 HydrophobicContact CG-CZ 4.38Å; F178-C212 WeakPolarHBondContact CD1-SG 3.39Å; F178-C212 WeakPolarHBondContact CE1-SG 3.17Å; F178-L215 HydrophobicContact CB-CD1 3.76Å; F178-F216 HydrophobicContact CD1-CE2 4.3Å; F178-M237 HydrophobicContact CE1-CG 4.13Å; F178-M237 HydrophobicContact CZ-CG 4.39Å
179Q98.3Very high94.6Very high94 Ų9439.5 Ų39.544%0.43922%0.216SC..Hα-helixtrans-64.1-40.9169.8-70177.5700111.7E175 A176 Y177 K182 A183 L215E175-Q179 HydrophobicContact CG-CG 4.48Å; E175-Q179 WeakPolarHBondContact O-CG 3.08Å; E175-Q179 PolarHBondContact O-N 3.46Å; E175-Q179 PolarHBondContact OE1-NE2 2.87Å; A176-Q179 PolarHBondContact O-N 3.1Å; Y177-Q179 VanDerWaalsContact C-N 3.28Å; Y177-Q179 PolarHBondContact O-N 3.42Å; Q179-K182 PolarHBondContact O-N 3.16Å; Q179-A183 PolarHBondContact O-N 3.13Å; Q179-A183 VanDerWaalsContact O-N 3.15Å; Q179-L215 HydrophobicContact CG-CD1 3.85Å; Q179-L215 HydrophobicContact CG-CD2 3.69Å; Q179-L215 HydrophobicContact CG-CG 4.44Å
180L98.3Very high95.5Very high32 Ų3239.3 Ų39.317%0.16822%0.215CC..Hα-helixtrans-64.3-45.2174.3-64.7175.1000111.6F145 M148 K149 A176 Y177 K182 A183 A184F145-L180 HydrophobicContact CD1-CD1 4.14Å; F145-L180 HydrophobicContact CD2-CD1 4.1Å; F145-L180 HydrophobicContact CE1-CD1 3.88Å; F145-L180 HydrophobicContact CE2-CD1 3.83Å; F145-L180 HydrophobicContact CG-CD1 4.23Å; F145-L180 HydrophobicContact CZ-CD1 3.7Å; M148-L180 HydrophobicContact CB-CB 3.98Å; M148-L180 HydrophobicContact CB-CD1 4.34Å; K149-L180 HydrophobicContact CG-CD1 3.89Å; K149-L180 HydrophobicContact CG-CD2 3.88Å; A176-L180 WeakPolarHBondContact O-CG 3.47Å; A176-L180 PolarHBondContact O-N 2.84Å; Y177-L180 WeakPolarHBondContact O-CA 3.49Å; Y177-L180 WeakPolarHBondContact O-CB 3.26Å; Y177-L180 PolarHBondContact O-N 3.02Å; L180-K182 VanDerWaalsContact C-N 3.34Å; L180-K182 PolarHBondContact O-N 3.35Å; L180-A183 WeakPolarHBondContact O-CB 3.32Å; L180-A183 PolarHBondContact O-N 3.47Å; L180-A183 VanDerWaalsContact O-N 3.14Å; L180-A184 WeakPolarHBondContact O-CB 3.31Å; L180-A184 PolarHBondContact O-N 2.98Å
181M98.5Very high96.3Very high0 Ų034.7 Ų34.70%019%0.193CC..Hα-helixtrans-59.1-43.8175-70.6-167.4-74.500111.7M148 I158 Y177 F178 A183 A184 L185 L191M148-M181 HydrophobicContact SD-CG 4.24Å; I158-M181 HydrophobicContact CD1-CB 4.24Å; I158-M181 HydrophobicContact CD1-CG 4.45Å; I158-M181 HydrophobicContact CG2-CG 4.21Å; I158-M181 HydrophobicContact CG2-SD 3.92Å; Y177-M181 HydrophobicContact CD1-CE 3.58Å; Y177-M181 HydrophobicContact CD1-CG 4.43Å; Y177-M181 HydrophobicContact CD1-SD 4.22Å; Y177-M181 HydrophobicContact CE1-CE 3.47Å; Y177-M181 VanDerWaalsContact CE1-CE 3.47Å; Y177-M181 HydrophobicContact CE1-CG 4.03Å; Y177-M181 HydrophobicContact CE1-SD 3.57Å; Y177-M181 VanDerWaalsContact CE1-SD 3.57Å; Y177-M181 HydrophobicContact CE2-CG 4.42Å; Y177-M181 PolarHBondContact O-N 2.99Å; F178-M181 HydrophobicContact CB-CE 4.22Å; F178-M181 HydrophobicContact CD1-CE 3.51Å; F178-M181 HydrophobicContact CD2-CE 3.72Å; F178-M181 HydrophobicContact CE1-CE 3.68Å; F178-M181 HydrophobicContact CE2-CE 3.87Å; F178-M181 HydrophobicContact CG-CE 3.54Å; F178-M181 HydrophobicContact CZ-CE 3.85Å; F178-M181 PolarHBondContact O-N 3.13Å; M181-A183 PolarHBondContact O-N 2.85Å; M181-A184 PolarHBondContact O-N 2.69Å; M181-L185 WeakPolarHBondContact O-CB 3.47Å; M181-L185 VanDerWaalsContact O-CG 3.29Å; M181-L185 WeakPolarHBondContact O-CG 3.37Å; M181-L185 PolarHBondContact O-N 2.89Å; M181-L191 HydrophobicContact CB-CD2 3.92Å; M181-L191 HydrophobicContact CE-CD1 4.4Å; M181-L191 HydrophobicContact CE-CD2 4.02Å; M181-L191 HydrophobicContact SD-CB 4.4Å; M181-L191 HydrophobicContact SD-CD2 4.19Å
182K98.6Very high97Very high79 Ų7932.6 Ų32.634%0.34318%0.179SC..Hα-helixtrans-57-38.7175.9-177177.1173178.40112.6F178 Q179 L180 L215 F216 K241F178-K182 WeakPolarHBondContact O-CB 3.25Å; F178-K182 PolarHBondContact O-N 2.86Å; Q179-K182 PolarHBondContact O-N 3.16Å; L180-K182 VanDerWaalsContact C-N 3.34Å; L180-K182 PolarHBondContact O-N 3.35Å; K182-L215 HydrophobicContact CD-CB 4.29Å; K182-L215 WeakPolarHBondContact CD-O 3.49Å; K182-L215 WeakPolarHBondContact CE-O 3.4Å; K182-L215 PolarHBondContact NZ-O 2.86Å; K182-F216 HydrophobicContact CB-CE1 3.77Å; K182-F216 HydrophobicContact CB-CE2 4.48Å; K182-F216 HydrophobicContact CB-CZ 3.56Å; K182-F216 HydrophobicContact CD-CE1 4.4Å; K182-F216 HydrophobicContact CG-CE1 3.87Å; K182-F216 HydrophobicContact CG-CZ 4.12Å; K182-K241 HydrophobicContact CG-CD 4.42Å; K182-K241 PolarHBondContact O-NZ 2.74Å
183A98.5Very high97.5Very high32 Ų3231.8 Ų31.826%0.26417%0.174SC..Hα-helixtrans-73.5-41.5-179.200000111.3Q152 D153 Q179 L180 M181Q152-A183 VanDerWaalsContact OE1-C 3.31Å; Q152-A183 PolarHBondContact OE1-O 3.42Å; D153-A183 PolarHBondContact N-O 2.77Å; Q179-A183 PolarHBondContact O-N 3.13Å; Q179-A183 VanDerWaalsContact O-N 3.15Å; L180-A183 WeakPolarHBondContact O-CB 3.32Å; L180-A183 PolarHBondContact O-N 3.47Å; L180-A183 VanDerWaalsContact O-N 3.14Å; M181-A183 PolarHBondContact O-N 2.85Å
184A98.6Very high97.8Very high0 Ų031.5 Ų31.50%017%0.173CC..Hα-helixtrans-72.2-27.6176.900000114.5M148 N151 D153 A154 F155 I158 L180 M181M148-A184 HydrophobicContact CE-CB 3.2Å; M148-A184 HydrophobicContact SD-CB 3.69Å; N151-A184 HydrophobicContact CB-CB 4.23Å; N151-A184 WeakPolarHBondContact O-CA 3.3Å; N151-A184 WeakPolarHBondContact O-CB 3.31Å; D153-A184 PolarHBondContact N-O 2.86Å; A154-A184 PolarHBondContact N-O 3.4Å; F155-A184 HydrophobicContact CD2-CB 4.46Å; F155-A184 PolarHBondContact N-O 2.77Å; I158-A184 HydrophobicContact CD1-CB 3.87Å; L180-A184 WeakPolarHBondContact O-CB 3.31Å; L180-A184 PolarHBondContact O-N 2.98Å; M181-A184 PolarHBondContact O-N 2.69Å
185L98.9Very high98.1Very high0 Ų026.8 Ų26.80%015%0.153CC..EExtended strand (participates in β ladder)trans-67.6141.3174.2-79.1172.2000111.5F155 I158 M181 I190 L191 F216 K241F155-L185 CarbonylContact O-C 3.53Å; F155-L185 WeakPolarHBondContact O-CA 3.45Å; I158-L185 HydrophobicContact CB-CD2 4.21Å; I158-L185 HydrophobicContact CD1-CD2 3.88Å; I158-L185 HydrophobicContact CD1-CG 3.74Å; I158-L185 HydrophobicContact CG1-CD2 3.63Å; I158-L185 HydrophobicContact CG1-CG 4.08Å; M181-L185 WeakPolarHBondContact O-CB 3.47Å; M181-L185 VanDerWaalsContact O-CG 3.29Å; M181-L185 WeakPolarHBondContact O-CG 3.37Å; M181-L185 PolarHBondContact O-N 2.89Å; L185-I190 WeakPolarHBondContact CD2-O 3.37Å; L185-L191 HydrophobicContact CD1-CB 4.14Å; L185-L191 HydrophobicContact CD1-CD2 4.13Å; L185-L191 HydrophobicContact CD1-CG 4.47Å; L185-F216 HydrophobicContact CD1-CE1 4.18Å; L185-K241 HydrophobicContact CB-CD 3.62Å; L185-K241 HydrophobicContact CD1-CD 4.33Å; L185-K241 PolarHBondContact O-NZ 3.02Å
186R98.6Very high98.1Very high65 Ų6523.2 Ų23.225%0.24514%0.136CC..EExtended strand (participates in β ladder)trans-67.3168.6171.1-77.7167.8168.1-172.7-7112.9D153 A154 F155 D156 G188 G189 K241D153-R186 VanDerWaalsContact C-CG 3.48Å; D153-R186 VanDerWaalsContact O-CG 3.22Å; D153-R186 WeakPolarHBondContact O-CG 3.42Å; D153-R186 PolarHBondContact O-NE 3.08Å; D153-R186 WeakPolarHBondContact OD1-CA 3.17Å; A154-R186 PolarHBondContact O-NE 2.99Å; F155-R186 WeakPolarHBondContact O-CB 3.31Å; F155-R186 PolarHBondContact O-N 2.87Å; D156-R186 WeakPolarHBondContact OD1-CD 3.32Å; D156-R186 IonicContact OD1-CZ 3.81Å; D156-R186 IonicContact OD1-NE 3.84Å; D156-R186 IonicContact OD1-NH1 2.94Å; D156-R186 PolarHBondContact OD1-NH1 2.91Å; D156-R186 IonicContact OD2-NH1 3.46Å; D156-R186 PolarHBondContact OD2-NH1 3.17Å; R186-G188 PolarHBondContact O-N 3.47Å; R186-G189 PolarHBondContact O-N 2.9Å; R186-K241 WeakPolarHBondContact O-CD 3.49Å; R186-K241 WeakPolarHBondContact O-CE 3.48Å; R186-K241 PolarHBondContact O-NZ 3.01Å
187S97.2Very high98.2Very high108 Ų10821 Ų2176%0.75512%0.117SC*.EExtended strand (participates in β ladder)trans-53.3126.8164.5-1700000110.3D153 G189D153-S187 PolarHBondContact OD1-N 2.78Å; S187-G189 PolarHBondContact O-N 3.23Å
188G96.8Very high98.3Very high17 Ų1721 Ų2118%0.17512%0.118CC..EExtended strand (participates in β ladder)trans72.85.6-175.500000116.2R186R186-G188 PolarHBondContact O-N 3.47Å
189G98.8Very high98.3Very high0 Ų028.3 Ų28.30%015%0.145CC..EExtended strand (participates in β ladder)trans-66.1154.7178.500000113.4D156 R186 S187 K241D156-G189 CarbonylContact O-C 3.17Å; D156-G189 WeakPolarHBondContact O-CA 3.46Å; R186-G189 PolarHBondContact O-N 2.9Å; S187-G189 PolarHBondContact O-N 3.23Å; G189-K241 PolarHBondContact O-N 3.22Å
190I98.9Very high98.4Very high0 Ų026.3 Ų26.30%014%0.137CC..EExtended strand (participates in β ladder)trans-121141-176.9-69177.2000109.7P75 S78 H79 D156 I157 I158 L185 C239 T245 F247P75-I190 HydrophobicContact CB-CG2 3.77Å; S78-I190 WeakPolarHBondContact O-CD1 3.37Å; H79-I190 HydrophobicContact CB-CD1 3.98Å; D156-I190 PolarHBondContact O-N 3.28Å; I157-I190 CarbonylContact C-O 3.52Å; I157-I190 VanDerWaalsContact CA-O 3.26Å; I157-I190 WeakPolarHBondContact CA-O 3.47Å; I157-I190 HydrophobicContact CD1-CB 3.76Å; I157-I190 HydrophobicContact CD1-CG2 4.3Å; I158-I190 PolarHBondContact N-O 2.95Å; L185-I190 WeakPolarHBondContact CD2-O 3.37Å; I190-C239 CarbonylContact C-O 3.59Å; I190-C239 WeakPolarHBondContact CA-O 3.47Å; I190-T245 HydrophobicContact CD1-CG2 4.07Å; I190-F247 HydrophobicContact CD1-CE1 3.91Å; I190-F247 HydrophobicContact CD1-CZ 4.38Å; I190-F247 HydrophobicContact CG1-CE1 4.28Å; I190-F247 HydrophobicContact CG1-CZ 4.33Å; I190-F247 HydrophobicContact CG2-CE1 3.63Å; I190-F247 HydrophobicContact CG2-CZ 3.9Å
191L98.7Very high98.4Very high0 Ų025.5 Ų25.50%013%0.133CC..EExtended strand (participates in β ladder)trans-111.7152164.566.288.5000111.7I158 F178 M181 L185 F216 L238 C239I158-L191 HydrophobicContact CB-CB 4.33Å; I158-L191 CarbonylContact O-C 3.51Å; I158-L191 WeakPolarHBondContact O-CA 3.05Å; F178-L191 HydrophobicContact CD1-CD1 4.22Å; F178-L191 HydrophobicContact CD1-CD2 4.18Å; F178-L191 HydrophobicContact CE1-CD1 3.78Å; M181-L191 HydrophobicContact CB-CD2 3.92Å; M181-L191 HydrophobicContact CE-CD1 4.4Å; M181-L191 HydrophobicContact CE-CD2 4.02Å; M181-L191 HydrophobicContact SD-CB 4.4Å; M181-L191 HydrophobicContact SD-CD2 4.19Å; L185-L191 HydrophobicContact CD1-CB 4.14Å; L185-L191 HydrophobicContact CD1-CD2 4.13Å; L185-L191 HydrophobicContact CD1-CG 4.47Å; L191-F216 HydrophobicContact CD2-CE1 3.91Å; L191-F216 HydrophobicContact CD2-CE2 3.85Å; L191-F216 HydrophobicContact CD2-CZ 3.32Å; L191-L238 WeakPolarHBondContact O-CA 3.49Å; L191-C239 HydrophobicContact CD1-CB 3.87Å; L191-C239 HydrophobicContact CD2-CB 4.1Å; L191-C239 HydrophobicContact CG-CB 3.78Å; L191-C239 PolarHBondContact N-O 3.34Å; L191-C239 PolarHBondContact O-N 2.78Å
192C98.9Very high98.3Very high0 Ų026.9 Ų26.90%014%0.14CC..EExtended strand (participates in β ladder)trans-135.3117.8169.3-175.40000108.1P75 I158 I159 T160 M237 L238P75-C192 HydrophobicContact CB-CB 3.83Å; P75-C192 HydrophobicContact CG-CB 3.53Å; I158-C192 PolarHBondContact O-N 3.36Å; I159-C192 CarbonylContact C-O 3.56Å; I159-C192 VanDerWaalsContact CA-O 3.22Å; I159-C192 WeakPolarHBondContact CA-O 3.49Å; T160-C192 PolarHBondContact N-O 2.83Å; C192-M237 WeakPolarHBondContact CA-O 3.28Å; C192-L238 HydrophobicContact CB-CD2 4.04Å
193S98.4Very high98.3Very high0 Ų028.4 Ų28.40%015%0.148CC..EExtended strand (participates in β ladder)trans-111.9146.5175.3-171.80000109.1G195 F236 M237S193-G195 PolarHBondContact O-N 2.76Å; S193-F236 CarbonylContact O-C 3.47Å; S193-F236 VanDerWaalsContact O-CA 3.26Å; S193-F236 WeakPolarHBondContact O-CA 3.32Å; S193-M237 PolarHBondContact N-O 3.35Å; S193-M237 PolarHBondContact O-N 3.19Å
194Q98.1Very high98.2Very high4 Ų428.9 Ų28.92%0.01915%0.146CC..EExtended strand (participates in β ladder)trans-45.6132155.4-172.1-82.219.600107.5Y67 T160 E196 I234Y67-Q194 HydrophobicContact CE2-CG 4.25Å; T160-Q194 PolarHBondContact O-N 3.5Å; Q194-E196 VanDerWaalsContact NE2-CD 3.32Å; Q194-E196 PolarHBondContact NE2-OE1 3.28Å; Q194-E196 VanDerWaalsContact OE1-N 3.07Å; Q194-E196 PolarHBondContact OE1-OE1 2.89Å; Q194-I234 HydrophobicContact CG-CD1 3.88Å; Q194-I234 HydrophobicContact CG-CG1 4.38Å; Q194-I234 VanDerWaalsContact NE2-CD1 3.34Å
195G97.6Very high98.2Very high1 Ų128.9 Ų28.91%0.0115%0.146CC..  trans-129.523.2-17000000113.8S193 I205 Y221 G235S193-G195 PolarHBondContact O-N 2.76Å; G195-I205 VanDerWaalsContact O-CG1 3.28Å; G195-I205 WeakPolarHBondContact O-CG1 3.48Å; G195-Y221 WeakPolarHBondContact O-CE2 3.47Å; G195-G235 WeakPolarHBondContact CA-O 3.48Å; G195-G235 PolarHBondContact N-O 3.23Å
196E98Very high98.1Very high4 Ų432.9 Ų32.92%0.01916%0.163CC..  trans61178.2176-68.7-58.8150.700116.7P165 F173 Q194 H201 L204 I205 Y221 G235P165-E196 WeakPolarHBondContact CD-OE1 3.46Å; F173-E196 HydrophobicContact CE1-CG 4.03Å; Q194-E196 VanDerWaalsContact NE2-CD 3.32Å; Q194-E196 PolarHBondContact NE2-OE1 3.28Å; Q194-E196 VanDerWaalsContact OE1-N 3.07Å; Q194-E196 PolarHBondContact OE1-OE1 2.89Å; E196-H201 HydrophobicContact CB-CB 3.77Å; E196-H201 HydrophobicContact CG-CB 4.43Å; E196-H201 IonicContact OE2-CE1 3.77Å; E196-H201 PolarHBondContact OE2-CE1 2.79Å; E196-H201 IonicContact OE2-CG 3.88Å; E196-H201 IonicContact OE2-ND1 2.75Å; E196-H201 PolarHBondContact OE2-ND1 3.39Å; E196-L204 HydrophobicContact CG-CD2 3.9Å; E196-I205 HydrophobicContact CB-CG1 4.49Å; E196-Y221 PolarHBondContact O-OH 2.83Å; E196-G235 VanDerWaalsContact O-CA 3.26Å; E196-G235 WeakPolarHBondContact O-CA 3.28Å; E196-G235 PolarHBondContact O-N 2.75Å
197C98.5Very high98.1Very high4 Ų434.4 Ų34.43%0.02717%0.173CC..  trans-95.5122.2-174.5-179.50000112.7W199 L200 H201 Q233C197-W199 PolarHBondContact O-N 2.96Å; C197-W199 VanDerWaalsContact O-N 3.11Å; C197-L200 HydrophobicContact CB-CB 4.25Å; C197-L200 HydrophobicContact CB-CD1 4.09Å; C197-L200 HydrophobicContact CB-CG 4.33Å; C197-L200 PolarHBondContact O-N 2.98Å; C197-H201 PolarHBondContact O-N 2.83Å; C197-Q233 PolarHBondContact SG-O 2.78Å
198Q98.6Very high98.1Very high1 Ų129.3 Ų29.31%0.00514%0.138CC..THydrogen-bonded Turntrans-60.9-20.3178.659.8176.6-48.900115.3L202 I205 Y221 Y223 Q233 P279 F281 A282Q198-L202 HydrophobicContact CB-CD1 4.49Å; Q198-I205 HydrophobicContact CB-CD1 4.17Å; Q198-Y221 HydrophobicContact CB-CE1 4.36Å; Q198-Y223 VanDerWaalsContact NE2-CG 3.31Å; Q198-Q233 VanDerWaalsContact CG-NE2 3.3Å; Q198-P279 VanDerWaalsContact OE1-CD 3.26Å; Q198-F281 WeakPolarHBondContact O-CE2 3.1Å; Q198-A282 HydrophobicContact CB-CB 4.38Å
199W98.7Very high98.2Very high154 Ų15428.9 Ų28.958%0.58313%0.131SC*.THydrogen-bonded Turntrans-80.4-17.8174.1-73.899.3000113.7C197 Q233 F281C197-W199 PolarHBondContact O-N 2.96Å; C197-W199 VanDerWaalsContact O-N 3.11Å; W199-Q233 VanDerWaalsContact CD1-CD 3.45Å; W199-F281 HydrophobicContact CD2-CE1 4.16Å; W199-F281 AromaticContact CD2-CZ 3.78Å; W199-F281 HydrophobicContact CD2-CZ 3.78Å; W199-F281 AromaticContact CE2-CE1 3.97Å; W199-F281 AromaticContact CE2-CZ 3.93Å; W199-F281 HydrophobicContact CE3-CE1 4.09Å; W199-F281 AromaticContact CE3-CZ 3.86Å; W199-F281 HydrophobicContact CE3-CZ 3.86Å; W199-F281 HydrophobicContact CG-CZ 4.33Å; W199-F281 HydrophobicContact CH2-CD1 4.48Å; W199-F281 AromaticContact CH2-CE1 3.67Å; W199-F281 HydrophobicContact CH2-CE1 3.67Å; W199-F281 HydrophobicContact CH2-CZ 4.26Å; W199-F281 AromaticContact CZ2-CE1 3.73Å; W199-F281 HydrophobicContact CZ2-CE1 3.73Å; W199-F281 HydrophobicContact CZ2-CZ 4.18Å; W199-F281 AromaticContact CZ3-CE1 3.85Å; W199-F281 HydrophobicContact CZ3-CE1 3.85Å; W199-F281 HydrophobicContact CZ3-CZ 4.11Å
200L98.5Very high98.1Very high51 Ų5132.7 Ų32.727%0.26716%0.155SC..THydrogen-bonded Turntrans-117.8-43.5-172.2-63173.2000111.9W16 C197 P230 S231W16-L200 HydrophobicContact CB-CD1 4.05Å; W16-L200 HydrophobicContact CB-CD2 4.4Å; C197-L200 HydrophobicContact CB-CB 4.25Å; C197-L200 HydrophobicContact CB-CD1 4.09Å; C197-L200 HydrophobicContact CB-CG 4.33Å; C197-L200 PolarHBondContact O-N 2.98Å; L200-P230 HydrophobicContact CD1-CB 3.63Å; L200-S231 WeakPolarHBondContact CD1-OG 3.42Å
201H98.3Very high98.1Very high16 Ų1634.1 Ų34.17%0.07416%0.161CC..  trans-120.426.4-162.6-49.5136000112.4M15 E196 C197 Q203 L204 I205M15-H201 PolarHBondContact O-NE2 3.09Å; M15-H201 VanDerWaalsContact O-NE2 3.11Å; E196-H201 HydrophobicContact CB-CB 3.77Å; E196-H201 HydrophobicContact CG-CB 4.43Å; E196-H201 IonicContact OE2-CE1 3.77Å; E196-H201 PolarHBondContact OE2-CE1 2.79Å; E196-H201 IonicContact OE2-CG 3.88Å; E196-H201 IonicContact OE2-ND1 2.75Å; E196-H201 PolarHBondContact OE2-ND1 3.39Å; C197-H201 PolarHBondContact O-N 2.83Å; H201-Q203 PolarHBondContact O-N 3.14Å; H201-Q203 VanDerWaalsContact O-N 3.1Å; H201-L204 HydrophobicContact CB-CB 4.39Å; H201-L204 WeakPolarHBondContact O-CB 3.1Å; H201-L204 PolarHBondContact O-N 3.07Å; H201-I205 WeakPolarHBondContact O-CG1 3.29Å; H201-I205 PolarHBondContact O-N 2.54Å
202L98.2Very high98.1Very high28 Ų2834.1 Ų34.115%0.14716%0.161CC..Hα-helixtrans-56-32.7-175-170.560.4000113.8Q198 K206 F281 A282 V285 L286Q198-L202 HydrophobicContact CB-CD1 4.49Å; L202-K206 WeakPolarHBondContact O-CB 3.03Å; L202-K206 PolarHBondContact O-N 2.79Å; L202-F281 HydrophobicContact CD2-CD2 3.9Å; L202-F281 HydrophobicContact CD2-CE2 4.1Å; L202-A282 HydrophobicContact CD1-CB 3.95Å; L202-V285 HydrophobicContact CD1-CB 4.43Å; L202-V285 HydrophobicContact CD1-CG1 4.4Å; L202-V285 HydrophobicContact CD2-CB 3.84Å; L202-V285 HydrophobicContact CD2-CG1 4.04Å; L202-V285 HydrophobicContact CD2-CG2 3.76Å; L202-V285 HydrophobicContact CG-CB 4.13Å; L202-V285 HydrophobicContact CG-CG1 3.88Å; L202-L286 HydrophobicContact CD1-CD1 4.35Å; L202-L286 HydrophobicContact CD1-CD2 4.22Å; L202-L286 HydrophobicContact CD1-CG 4.16Å
203Q97Very high98.1Very high112 Ų11239.2 Ų39.252%0.52318%0.183SC..Hα-helixtrans-69.1-43.4176.6-177.25638.100112H201 K206 E207H201-Q203 PolarHBondContact O-N 3.14Å; H201-Q203 VanDerWaalsContact O-N 3.1Å; Q203-K206 WeakPolarHBondContact O-CB 3.24Å; Q203-K206 PolarHBondContact O-N 3.03Å; Q203-E207 PolarHBondContact NE2-OE1 2.96Å; Q203-E207 WeakPolarHBondContact O-CG 3.03Å; Q203-E207 PolarHBondContact O-N 3.43Å
204L96.4Very high98Very high41 Ų4143.9 Ų43.922%0.21521%0.212CC..Hα-helixtrans-62.3-44.4173.7173.861000110.8P165 E196 H201 K206 E207 M208P165-L204 HydrophobicContact CG-CD2 4.13Å; E196-L204 HydrophobicContact CG-CD2 3.9Å; H201-L204 HydrophobicContact CB-CB 4.39Å; H201-L204 WeakPolarHBondContact O-CB 3.1Å; H201-L204 PolarHBondContact O-N 3.07Å; L204-K206 VanDerWaalsContact C-N 3.29Å; L204-K206 PolarHBondContact O-N 2.82Å; L204-E207 PolarHBondContact O-N 2.79Å; L204-E207 VanDerWaalsContact O-N 3.13Å; L204-M208 HydrophobicContact CD1-CG 4.17Å; L204-M208 HydrophobicContact CD1-SD 4.31Å; L204-M208 HydrophobicContact CG-SD 4.2Å; L204-M208 WeakPolarHBondContact O-CG 3.13Å; L204-M208 PolarHBondContact O-N 2.82Å
205I98.4Very high98.1Very high1 Ų144.6 Ų44.61%0.00522%0.215CC..Hα-helixtrans-57.4-44.3176.5-64.6162.6000110.5G195 E196 Q198 H201 M208 Q209 Y221 L286G195-I205 VanDerWaalsContact O-CG1 3.28Å; G195-I205 WeakPolarHBondContact O-CG1 3.48Å; E196-I205 HydrophobicContact CB-CG1 4.49Å; Q198-I205 HydrophobicContact CB-CD1 4.17Å; H201-I205 WeakPolarHBondContact O-CG1 3.29Å; H201-I205 PolarHBondContact O-N 2.54Å; I205-M208 PolarHBondContact O-N 2.94Å; I205-Q209 VanDerWaalsContact O-CB 3.31Å; I205-Q209 WeakPolarHBondContact O-CB 3.37Å; I205-Q209 PolarHBondContact O-N 2.83Å; I205-Y221 HydrophobicContact CD1-CE2 3.91Å; I205-Y221 WeakPolarHBondContact CD1-OH 3.22Å; I205-Y221 HydrophobicContact CG1-CE2 4.02Å; I205-Y221 HydrophobicContact CG2-CD2 3.65Å; I205-Y221 HydrophobicContact CG2-CE2 3.65Å; I205-Y221 HydrophobicContact CG2-CG 4.16Å; I205-L286 HydrophobicContact CB-CD2 4.44Å; I205-L286 HydrophobicContact CG2-CD1 3.85Å; I205-L286 HydrophobicContact CG2-CD2 3.78Å; I205-L286 HydrophobicContact CG2-CG 4.49Å
206K98.1Very high98.1Very high83 Ų8344.9 Ų44.936%0.36122%0.216SC..Hα-helixtrans-62.9-42.4176.4-176.3-178.3-175.8173.60112.3L202 Q203 L204 Q209 T210 V285 L286L202-K206 WeakPolarHBondContact O-CB 3.03Å; L202-K206 PolarHBondContact O-N 2.79Å; Q203-K206 WeakPolarHBondContact O-CB 3.24Å; Q203-K206 PolarHBondContact O-N 3.03Å; L204-K206 VanDerWaalsContact C-N 3.29Å; L204-K206 PolarHBondContact O-N 2.82Å; K206-Q209 PolarHBondContact O-N 2.89Å; K206-T210 VanDerWaalsContact O-CB 3.32Å; K206-T210 WeakPolarHBondContact O-CB 3.34Å; K206-T210 PolarHBondContact O-N 3Å; K206-T210 PolarHBondContact O-OG1 3.3Å; K206-V285 HydrophobicContact CB-CG1 4.32Å; K206-V285 HydrophobicContact CD-CG1 3.8Å; K206-V285 HydrophobicContact CG-CG1 4.45Å; K206-L286 HydrophobicContact CB-CD2 4.05Å
207E97.3Very high98.1Very high98 Ų9848.6 Ų48.646%0.45824%0.241SC..Hα-helixtrans-62.5-47.1176.9-74.4168-160.800111Q203 L204 T210 F211Q203-E207 PolarHBondContact NE2-OE1 2.96Å; Q203-E207 WeakPolarHBondContact O-CG 3.03Å; Q203-E207 PolarHBondContact O-N 3.43Å; L204-E207 PolarHBondContact O-N 2.79Å; L204-E207 VanDerWaalsContact O-N 3.13Å; E207-T210 WeakPolarHBondContact O-CB 3.42Å; E207-T210 PolarHBondContact O-N 3.43Å; E207-F211 WeakPolarHBondContact O-CD1 3.37Å; E207-F211 PolarHBondContact O-N 3.07Å; E207-F211 VanDerWaalsContact O-N 3.08Å
208M97.9Very high98.2Very high0 Ų049.6 Ų49.60%025%0.247CC..Hα-helixtrans-57.4-50.4174.1-69.2178.575.100112.2F173 F178 L204 I205 T210 F211 C212 M237F173-M208 HydrophobicContact CD1-CE 3.86Å; F173-M208 HydrophobicContact CD1-SD 3.76Å; F173-M208 HydrophobicContact CE1-CE 4.45Å; F173-M208 HydrophobicContact CE1-SD 4.44Å; F178-M208 HydrophobicContact CE2-CE 3.94Å; F178-M208 HydrophobicContact CZ-CE 3.69Å; L204-M208 HydrophobicContact CD1-CG 4.17Å; L204-M208 HydrophobicContact CD1-SD 4.31Å; L204-M208 HydrophobicContact CG-SD 4.2Å; L204-M208 WeakPolarHBondContact O-CG 3.13Å; L204-M208 PolarHBondContact O-N 2.82Å; I205-M208 PolarHBondContact O-N 2.94Å; M208-T210 VanDerWaalsContact C-N 3.26Å; M208-T210 PolarHBondContact O-N 2.92Å; M208-F211 HydrophobicContact CB-CE1 4.12Å; M208-F211 HydrophobicContact CB-CZ 4.08Å; M208-F211 HydrophobicContact CG-CE1 3.95Å; M208-F211 HydrophobicContact CG-CZ 3.97Å; M208-F211 PolarHBondContact O-N 3.02Å; M208-C212 VanDerWaalsContact O-CB 3.24Å; M208-C212 WeakPolarHBondContact O-CB 3.42Å; M208-C212 PolarHBondContact O-N 3.34Å; M208-C212 PolarHBondContact O-SG 3.21Å; M208-M237 HydrophobicContact CB-CE 3.91Å; M208-M237 HydrophobicContact CE-CB 4.44Å
209Q98.1Very high98.2Very high9 Ų950.5 Ų50.54%0.04225%0.252CS..Hα-helixtrans-59.6-39.8178-161.5-157.852.900111.4I205 K206 C212 K213 V219 M237 L286I205-Q209 VanDerWaalsContact O-CB 3.31Å; I205-Q209 WeakPolarHBondContact O-CB 3.37Å; I205-Q209 PolarHBondContact O-N 2.83Å; K206-Q209 PolarHBondContact O-N 2.89Å; Q209-C212 PolarHBondContact O-N 3.24Å; Q209-K213 HydrophobicContact CG-CD 4.31Å; Q209-K213 WeakPolarHBondContact O-CB 3.38Å; Q209-K213 VanDerWaalsContact O-CG 3.26Å; Q209-K213 WeakPolarHBondContact O-CG 3.24Å; Q209-K213 PolarHBondContact O-N 2.66Å; Q209-V219 HydrophobicContact CG-CG1 3.93Å; Q209-M237 HydrophobicContact CB-CE 4Å; Q209-L286 PolarHBondContact NE2-O 3.35Å; Q209-L286 VanDerWaalsContact NE2-O 3.16Å; Q209-L286 PolarHBondContact OE1-O 2.72Å
210T98Very high98.2Very high80 Ų8043.9 Ų43.949%0.49123%0.228SC..Hα-helixtrans-64.1-51.1-178.2-61.30000111.4K206 E207 M208 K213K206-T210 VanDerWaalsContact O-CB 3.32Å; K206-T210 WeakPolarHBondContact O-CB 3.34Å; K206-T210 PolarHBondContact O-N 3Å; K206-T210 PolarHBondContact O-OG1 3.3Å; E207-T210 WeakPolarHBondContact O-CB 3.42Å; E207-T210 PolarHBondContact O-N 3.43Å; M208-T210 VanDerWaalsContact C-N 3.26Å; M208-T210 PolarHBondContact O-N 2.92Å; T210-K213 PolarHBondContact O-N 2.86Å
211F98.1Very high98.2Very high29 Ų2941.4 Ų41.413%0.12722%0.215CC..Hα-helixtrans-71.8-33.2177.672.3-116.4000111.6E175 F178 E207 M208 K213 T214 L215E175-F211 HydrophobicContact CB-CB 4.3Å; E175-F211 HydrophobicContact CB-CD1 4.34Å; E175-F211 HydrophobicContact CB-CD2 3.96Å; E175-F211 HydrophobicContact CB-CE2 4.4Å; E175-F211 HydrophobicContact CB-CG 3.98Å; E175-F211 HydrophobicContact CG-CB 4.04Å; E175-F211 HydrophobicContact CG-CD2 3.94Å; E175-F211 HydrophobicContact CG-CG 4.09Å; F178-F211 HydrophobicContact CB-CE2 3.97Å; F178-F211 HydrophobicContact CD1-CE2 4.2Å; F178-F211 AromaticContact CD2-CE2 3.61Å; F178-F211 HydrophobicContact CD2-CE2 3.61Å; F178-F211 AromaticContact CD2-CZ 3.88Å; F178-F211 HydrophobicContact CD2-CZ 3.88Å; F178-F211 HydrophobicContact CE2-CE2 4.12Å; F178-F211 HydrophobicContact CE2-CZ 4.06Å; F178-F211 AromaticContact CG-CE2 3.66Å; F178-F211 HydrophobicContact CG-CE2 3.66Å; F178-F211 HydrophobicContact CG-CZ 4.38Å; E207-F211 WeakPolarHBondContact O-CD1 3.37Å; E207-F211 PolarHBondContact O-N 3.07Å; E207-F211 VanDerWaalsContact O-N 3.08Å; M208-F211 HydrophobicContact CB-CE1 4.12Å; M208-F211 HydrophobicContact CB-CZ 4.08Å; M208-F211 HydrophobicContact CG-CE1 3.95Å; M208-F211 HydrophobicContact CG-CZ 3.97Å; M208-F211 PolarHBondContact O-N 3.02Å; F211-K213 PolarHBondContact O-N 3.37Å; F211-T214 PolarHBondContact O-N 2.95Å; F211-T214 PolarHBondContact O-OG1 3.32Å; F211-L215 HydrophobicContact CD2-CD1 4.45Å; F211-L215 PolarHBondContact O-N 3Å
212C98.6Very high98.2Very high0 Ų040.7 Ų40.70%021%0.212CC..Hα-helixtrans-60.9-37.4175.9-72.80000111.3F178 M208 Q209 T214 L215 F216 V219F178-C212 WeakPolarHBondContact CD1-SG 3.39Å; F178-C212 WeakPolarHBondContact CE1-SG 3.17Å; M208-C212 VanDerWaalsContact O-CB 3.24Å; M208-C212 WeakPolarHBondContact O-CB 3.42Å; M208-C212 PolarHBondContact O-N 3.34Å; M208-C212 PolarHBondContact O-SG 3.21Å; Q209-C212 PolarHBondContact O-N 3.24Å; C212-T214 PolarHBondContact O-N 2.88Å; C212-L215 CarbonylContact O-C 3.59Å; C212-L215 PolarHBondContact O-N 3.19Å; C212-F216 PolarHBondContact O-N 2.74Å; C212-V219 HydrophobicContact CB-CB 4.47Å; C212-V219 HydrophobicContact CB-CG1 3.8Å; C212-V219 HydrophobicContact CB-CG2 3.77Å
213K98.3Very high98.2Very high107 Ų10741.8 Ų41.847%0.46521%0.214SC..Hα-helixtrans-66-18.5176.5-77.4171.3174.6170.30113.4Q209 T210 F211 V219Q209-K213 HydrophobicContact CG-CD 4.31Å; Q209-K213 WeakPolarHBondContact O-CB 3.38Å; Q209-K213 VanDerWaalsContact O-CG 3.26Å; Q209-K213 WeakPolarHBondContact O-CG 3.24Å; Q209-K213 PolarHBondContact O-N 2.66Å; T210-K213 PolarHBondContact O-N 2.86Å; F211-K213 PolarHBondContact O-N 3.37Å; K213-V219 HydrophobicContact CG-CB 4Å; K213-V219 HydrophobicContact CG-CG2 4.02Å
214T98.4Very high98.3Very high99 Ų9936.4 Ų36.461%0.60719%0.189SC*.Hα-helixtrans-82.7-21.7170.9770000112F211 C212F211-T214 PolarHBondContact O-N 2.95Å; F211-T214 PolarHBondContact O-OG1 3.32Å; C212-T214 PolarHBondContact O-N 2.88Å
215L98.5Very high98.4Very high18 Ų1837.7 Ų37.79%0.09420%0.199CC..Hα-helixtrans-98.5-36.4-175.4-61.6-179.4000113E175 F178 Q179 K182 F211 C212E175-L215 HydrophobicContact CG-CD1 4.06Å; F178-L215 HydrophobicContact CB-CD1 3.76Å; Q179-L215 HydrophobicContact CG-CD1 3.85Å; Q179-L215 HydrophobicContact CG-CD2 3.69Å; Q179-L215 HydrophobicContact CG-CG 4.44Å; K182-L215 HydrophobicContact CD-CB 4.29Å; K182-L215 WeakPolarHBondContact CD-O 3.49Å; K182-L215 WeakPolarHBondContact CE-O 3.4Å; K182-L215 PolarHBondContact NZ-O 2.86Å; F211-L215 HydrophobicContact CD2-CD1 4.45Å; F211-L215 PolarHBondContact O-N 3Å; C212-L215 CarbonylContact O-C 3.59Å; C212-L215 PolarHBondContact O-N 3.19Å
216F98.8Very high98.4Very high8 Ų837.7 Ų37.74%0.03520%0.199CC..  trans-124.1140.3-170.9-61.3-85.2000111.4F178 K182 L185 L191 C212 V218 V219 C239 K241F178-F216 HydrophobicContact CD1-CE2 4.3Å; K182-F216 HydrophobicContact CB-CE1 3.77Å; K182-F216 HydrophobicContact CB-CE2 4.48Å; K182-F216 HydrophobicContact CB-CZ 3.56Å; K182-F216 HydrophobicContact CD-CE1 4.4Å; K182-F216 HydrophobicContact CG-CE1 3.87Å; K182-F216 HydrophobicContact CG-CZ 4.12Å; L185-F216 HydrophobicContact CD1-CE1 4.18Å; L191-F216 HydrophobicContact CD2-CE1 3.91Å; L191-F216 HydrophobicContact CD2-CE2 3.85Å; L191-F216 HydrophobicContact CD2-CZ 3.32Å; C212-F216 PolarHBondContact O-N 2.74Å; F216-V218 VanDerWaalsContact C-N 3.25Å; F216-V218 PolarHBondContact O-N 2.89Å; F216-V219 HydrophobicContact CB-CG2 4.02Å; F216-C239 HydrophobicContact CB-CB 3.89Å; F216-C239 HydrophobicContact CD1-CB 3.91Å; F216-C239 HydrophobicContact CD2-CB 3.51Å; F216-C239 HydrophobicContact CE1-CB 4.31Å; F216-C239 HydrophobicContact CE2-CB 3.96Å; F216-C239 HydrophobicContact CG-CB 3.49Å; F216-C239 VanDerWaalsContact CG-CB 3.49Å; F216-C239 HydrophobicContact CZ-CB 4.33Å; F216-K241 HydrophobicContact CD1-CG 4.1Å; F216-K241 HydrophobicContact CE1-CG 4.12Å
217P98.5Very high98.5Very high81 Ų8137.2 Ų37.253%0.52620%0.204SC..SBendtrans-65.1-27.1175.926.6-37000113.6S240 P243P217-S240 WeakPolarHBondContact CD-O 2.93Å; P217-S240 WeakPolarHBondContact CG-O 3.47Å; P217-P243 HydrophobicContact CB-CB 4Å; P217-P243 HydrophobicContact CG-CB 4.36Å
218V98.8Very high98.5Very high25 Ų2532.5 Ų32.515%0.15218%0.182CC..EExtended strand (participates in β ladder)trans-129.7127.5178.7-175.40000109.3F216 C239 S240 N242 T245 F247F216-V218 VanDerWaalsContact C-N 3.25Å; F216-V218 PolarHBondContact O-N 2.89Å; V218-C239 VanDerWaalsContact O-CA 3.32Å; V218-C239 WeakPolarHBondContact O-CA 3.45Å; V218-S240 PolarHBondContact O-N 2.76Å; V218-N242 WeakPolarHBondContact CG2-O 3.26Å; V218-T245 WeakPolarHBondContact CG1-O 3.34Å; V218-F247 HydrophobicContact CB-CE2 4.38Å; V218-F247 HydrophobicContact CG1-CD2 3.72Å; V218-F247 HydrophobicContact CG1-CE2 3.76Å
219V98.8Very high98.6Very high20 Ų2033.6 Ų33.612%0.12119%0.187CC..EExtended strand (participates in β ladder)trans-138.9128.3177.2-178.60000108.2Q209 C212 K213 F216 M237 L238 C239Q209-V219 HydrophobicContact CG-CG1 3.93Å; C212-V219 HydrophobicContact CB-CB 4.47Å; C212-V219 HydrophobicContact CB-CG1 3.8Å; C212-V219 HydrophobicContact CB-CG2 3.77Å; K213-V219 HydrophobicContact CG-CB 4Å; K213-V219 HydrophobicContact CG-CG2 4.02Å; F216-V219 HydrophobicContact CB-CG2 4.02Å; V219-M237 HydrophobicContact CG1-SD 3.61Å; V219-L238 VanDerWaalsContact CA-O 3.31Å; V219-L238 WeakPolarHBondContact CA-O 3.49Å; V219-C239 HydrophobicContact CG2-CB 4.41Å
220D98.4Very high98.6Very high15 Ų1533.9 Ų33.98%0.0819%0.19CC..EExtended strand (participates in β ladder)trans-141.2163.8177.5-145-22.1000110.2L238 F247 R248 F276D220-L238 PolarHBondContact N-O 2.84Å; D220-L238 PolarHBondContact O-N 3.15Å; D220-F247 HydrophobicContact CB-CB 3.98Å; D220-F247 HydrophobicContact CB-CD2 3.83Å; D220-F247 HydrophobicContact CB-CG 4.28Å; D220-R248 IonicContact OD1-CZ 3.72Å; D220-R248 IonicContact OD1-NE 3.69Å; D220-R248 IonicContact OD1-NH2 2.75Å; D220-R248 PolarHBondContact OD1-NH2 2.95Å; D220-R248 VanDerWaalsContact OD1-NH2 3.13Å; D220-R248 VanDerWaalsContact OD2-CG 3.25Å; D220-R248 WeakPolarHBondContact OD2-CG 3.16Å; D220-R248 IonicContact OD2-CZ 3.65Å; D220-R248 IonicContact OD2-NE 3.88Å; D220-R248 PolarHBondContact OD2-NE 3.18Å; D220-R248 IonicContact OD2-NH2 3.32Å; D220-F276 HydrophobicContact CB-CD1 4.22Å; D220-F276 HydrophobicContact CB-CE1 4.02Å
221Y98.8Very high98.6Very high0 Ų032.6 Ų32.60%018%0.183CC..EExtended strand (participates in β ladder)trans-128.4123.3-179.2177.5-91.2000110.1G195 E196 Q198 I205 G235 F236 M237 L278 L286G195-Y221 WeakPolarHBondContact O-CE2 3.47Å; E196-Y221 PolarHBondContact O-OH 2.83Å; Q198-Y221 HydrophobicContact CB-CE1 4.36Å; I205-Y221 HydrophobicContact CD1-CE2 3.91Å; I205-Y221 WeakPolarHBondContact CD1-OH 3.22Å; I205-Y221 HydrophobicContact CG1-CE2 4.02Å; I205-Y221 HydrophobicContact CG2-CD2 3.65Å; I205-Y221 HydrophobicContact CG2-CE2 3.65Å; I205-Y221 HydrophobicContact CG2-CG 4.16Å; Y221-G235 VanDerWaalsContact OH-CA 3.25Å; Y221-G235 WeakPolarHBondContact OH-CA 3.45Å; Y221-F236 WeakPolarHBondContact CA-O 3.4Å; Y221-M237 HydrophobicContact CD2-CE 4.4Å; Y221-L278 HydrophobicContact CD1-CD1 3.89Å; Y221-L278 HydrophobicContact CD1-CD2 3.89Å; Y221-L278 HydrophobicContact CE1-CD2 4.15Å; Y221-L286 HydrophobicContact CD1-CD1 4.08Å; Y221-L286 HydrophobicContact CG-CD1 4.26Å
222A98.9Very high98.6Very high0 Ų032.6 Ų32.60%019%0.192CC..EExtended strand (participates in β ladder)trans-111.8164.3174.700000110.3L74 G235 F236 L238 S275 F276L74-A222 HydrophobicContact CD1-CB 3.81Å; L74-A222 HydrophobicContact CD2-CB 4.3Å; A222-G235 CarbonylContact O-C 3.5Å; A222-G235 WeakPolarHBondContact O-CA 3.42Å; A222-F236 HydrophobicContact CB-CD2 4.29Å; A222-F236 PolarHBondContact N-O 3.22Å; A222-F236 VanDerWaalsContact N-O 3.13Å; A222-F236 PolarHBondContact O-N 2.95Å; A222-L238 HydrophobicContact CB-CD1 3.92Å; A222-S275 CarbonylContact C-O 3.57Å; A222-S275 VanDerWaalsContact CA-O 3.27Å; A222-S275 WeakPolarHBondContact CA-O 3.09Å; A222-F276 HydrophobicContact CB-CD1 3.96Å; A222-F276 HydrophobicContact CB-CE1 3.7Å; A222-F276 HydrophobicContact CB-CE2 4.29Å; A222-F276 HydrophobicContact CB-CG 4.38Å; A222-F276 HydrophobicContact CB-CZ 3.87Å
223Y98.9Very high98.6Very high51 Ų5133.5 Ų33.520%0.220%0.196CC..EExtended strand (participates in β ladder)trans-140.2159.9168.981.1-75.2000112.8Q198 T225 Q233 I234 S275 L278Q198-Y223 VanDerWaalsContact NE2-CG 3.31Å; Y223-T225 HydrophobicContact CE2-CG2 4.38Å; Y223-Q233 HydrophobicContact CD2-CB 4.33Å; Y223-I234 CarbonylContact C-O 3.6Å; Y223-I234 VanDerWaalsContact CA-O 3.24Å; Y223-I234 WeakPolarHBondContact CA-O 3.35Å; Y223-I234 WeakPolarHBondContact CB-O 3.27Å; Y223-S275 VanDerWaalsContact CD1-O 3.28Å; Y223-S275 WeakPolarHBondContact CD1-O 3.15Å; Y223-S275 PolarHBondContact N-O 3.33Å; Y223-S275 WeakPolarHBondContact O-CB 3.27Å; Y223-S275 PolarHBondContact O-OG 2.87Å; Y223-L278 HydrophobicContact CD1-CD2 3.79Å; Y223-L278 HydrophobicContact CE1-CD2 4.23Å
224S98.7Very high98.7Very high0 Ų028.9 Ų28.90%018%0.176CC..EExtended strand (participates in β ladder)trans-129.1155.7172.1-177.40000110A66 Q233 I234 Y266A66-S224 PolarHBondContact O-OG 3.37Å; S224-Q233 VanDerWaalsContact O-CA 3.24Å; S224-Q233 WeakPolarHBondContact O-CA 3.19Å; S224-Q233 WeakPolarHBondContact O-CB 3.25Å; S224-I234 PolarHBondContact N-O 3Å; S224-I234 PolarHBondContact O-N 3.29Å; S224-Y266 WeakPolarHBondContact OG-CE1 3.35Å; S224-Y266 PolarHBondContact OG-OH 3.11Å
225T98.9Very high98.7Very high68 Ų6824.2 Ų24.242%0.41715%0.147SC..EExtended strand (participates in β ladder)trans-93.6129.2172.553.50000109.8A66 Y223 Y266A66-T225 WeakPolarHBondContact CB-O 3.24Å; Y223-T225 HydrophobicContact CE2-CG2 4.38Å; T225-Y266 PolarHBondContact N-OH 2.76Å; T225-Y266 VanDerWaalsContact N-OH 3.07Å; T225-Y266 PolarHBondContact OG1-OH 2.96Å
226I98.6Very high98.7Very high0 Ų023.3 Ų23.30%014%0.143CC..  trans-148.8108.2-180172.2164.2000107.8D63 A66 T228 Y229 G232 I234D63-I226 HydrophobicContact CB-CG1 4.36Å; A66-I226 HydrophobicContact CB-CB 4.42Å; I226-T228 VanDerWaalsContact C-N 3.25Å; I226-T228 PolarHBondContact O-N 2.72Å; I226-T228 VanDerWaalsContact O-N 3.14Å; I226-Y229 HydrophobicContact CB-CD2 4.48Å; I226-Y229 HydrophobicContact CD1-CD1 4.33Å; I226-Y229 HydrophobicContact CD1-CD2 4.08Å; I226-Y229 HydrophobicContact CD1-CE1 4.22Å; I226-Y229 HydrophobicContact CD1-CE2 3.99Å; I226-Y229 HydrophobicContact CD1-CG 4.27Å; I226-Y229 HydrophobicContact CG1-CD2 4.38Å; I226-Y229 HydrophobicContact CG1-CG 4.32Å; I226-Y229 HydrophobicContact CG2-CD2 3.38Å; I226-Y229 HydrophobicContact CG2-CE2 4.14Å; I226-Y229 HydrophobicContact CG2-CG 3.81Å; I226-Y229 PolarHBondContact O-N 2.74Å; I226-G232 CarbonylContact C-O 3.49Å; I226-G232 PolarHBondContact N-O 3.44Å; I226-G232 CarbonylContact O-C 3.55Å; I226-G232 WeakPolarHBondContact O-CA 3.16Å; I226-I234 HydrophobicContact CG2-CG2 4.06Å
227P98.8Very high98.7Very high73 Ų7323 Ų2347%0.47414%0.142SC..THydrogen-bonded Turntrans-54.5-34.5-170.2-30.635.6000115.6Y47 D63Y47-P227 HydrophobicContact CE1-CB 4.47Å; D63-P227 WeakPolarHBondContact OD2-CD 3.44Å
228T98.7Very high98.7Very high0 Ų019.1 Ų19.10%012%0.117CC..THydrogen-bonded Turntrans-86.5-1.8-173.561.10000115.6M21 L23 Y47 T60 D63 I226M21-T228 HydrophobicContact CE-CG2 3.67Å; L23-T228 HydrophobicContact CD1-CG2 4.44Å; Y47-T228 HydrophobicContact CD1-CG2 3.45Å; Y47-T228 VanDerWaalsContact CD1-CG2 3.45Å; Y47-T228 HydrophobicContact CE1-CG2 3.46Å; Y47-T228 VanDerWaalsContact CE1-CG2 3.46Å; Y47-T228 HydrophobicContact CG-CG2 4.37Å; T60-T228 HydrophobicContact CG2-CG2 3.47Å; T60-T228 VanDerWaalsContact CG2-CG2 3.47Å; D63-T228 PolarHBondContact OD1-OG1 2.72Å; D63-T228 WeakPolarHBondContact OD2-CG2 3.26Å; D63-T228 PolarHBondContact OD2-N 3.15Å; D63-T228 VanDerWaalsContact OD2-N 3.07Å; D63-T228 PolarHBondContact OD2-OG1 2.87Å; D63-T228 VanDerWaalsContact OD2-OG1 3.1Å; I226-T228 VanDerWaalsContact C-N 3.25Å; I226-T228 PolarHBondContact O-N 2.72Å; I226-T228 VanDerWaalsContact O-N 3.14Å
229Y98.6Very high98.7Very high22 Ų2218 Ų189%0.08611%0.109CC..SBendtrans-90.9156172-71.9-7.9000111.6Q58 Y67 I226 S231 G232 I234Q58-Y229 VanDerWaalsContact O-CE1 3.24Å; Q58-Y229 WeakPolarHBondContact O-CE1 3.46Å; Q58-Y229 PolarHBondContact O-OH 3.13Å; Y67-Y229 AromaticContact CD2-CE2 3.82Å; Y67-Y229 HydrophobicContact CD2-CE2 3.82Å; Y67-Y229 HydrophobicContact CE2-CE2 4.26Å; Y67-Y229 HydrophobicContact CG-CE2 4.08Å; I226-Y229 HydrophobicContact CB-CD2 4.48Å; I226-Y229 HydrophobicContact CD1-CD1 4.33Å; I226-Y229 HydrophobicContact CD1-CD2 4.08Å; I226-Y229 HydrophobicContact CD1-CE1 4.22Å; I226-Y229 HydrophobicContact CD1-CE2 3.99Å; I226-Y229 HydrophobicContact CD1-CG 4.27Å; I226-Y229 HydrophobicContact CG1-CD2 4.38Å; I226-Y229 HydrophobicContact CG1-CG 4.32Å; I226-Y229 HydrophobicContact CG2-CD2 3.38Å; I226-Y229 HydrophobicContact CG2-CE2 4.14Å; I226-Y229 HydrophobicContact CG2-CG 3.81Å; I226-Y229 PolarHBondContact O-N 2.74Å; Y229-S231 PolarHBondContact O-N 3.03Å; Y229-G232 WeakPolarHBondContact O-CA 3.28Å; Y229-G232 PolarHBondContact O-N 2.8Å; Y229-I234 HydrophobicContact CD2-CB 3.8Å; Y229-I234 HydrophobicContact CD2-CD1 3.49Å; Y229-I234 VanDerWaalsContact CD2-CD1 3.49Å; Y229-I234 HydrophobicContact CD2-CG1 4.29Å; Y229-I234 HydrophobicContact CD2-CG2 3.73Å; Y229-I234 HydrophobicContact CE2-CB 4.4Å; Y229-I234 HydrophobicContact CE2-CD1 3.67Å; Y229-I234 HydrophobicContact CE2-CG2 3.96Å; Y229-I234 HydrophobicContact CG-CD1 4.43Å
230P98.4Very high98.7Very high16 Ų1617 Ų1710%0.10410%0.104CC..G310 helixtrans-51.3125.2179.2-29.436000112.8W16 L200 G232W16-P230 HydrophobicContact CB-CB 4.45Å; W16-P230 HydrophobicContact CD2-CB 3.84Å; W16-P230 HydrophobicContact CD2-CG 3.6Å; W16-P230 HydrophobicContact CE3-CB 3.92Å; W16-P230 HydrophobicContact CE3-CG 3.56Å; W16-P230 HydrophobicContact CG-CB 4.11Å; W16-P230 HydrophobicContact CG-CG 4.34Å; W16-P230 HydrophobicContact CH2-CG 3.72Å; W16-P230 HydrophobicContact CZ2-CG 3.75Å; W16-P230 HydrophobicContact CZ3-CB 4.45Å; W16-P230 HydrophobicContact CZ3-CG 3.63Å; L200-P230 HydrophobicContact CD1-CB 3.63Å; P230-G232 PolarHBondContact O-N 3.01Å
231S98.5Very high98.7Very high52 Ų5219.2 Ų19.236%0.36411%0.112SC..G310 helixtrans62.918.2-174.4-57.70000115.4Q19 L200 Y229 Q233Q19-S231 PolarHBondContact NE2-OG 2.98Å; Q19-S231 VanDerWaalsContact NE2-OG 3.08Å; L200-S231 WeakPolarHBondContact CD1-OG 3.42Å; Y229-S231 PolarHBondContact O-N 3.03Å; S231-Q233 VanDerWaalsContact C-N 3.32Å; S231-Q233 PolarHBondContact O-N 3.1Å
232G98.6Very high98.7Very high29 Ų2921.8 Ų21.830%0.29913%0.126SC..G310 helixtrans74.912.516700000115.8I226 Y229 P230I226-G232 CarbonylContact C-O 3.49Å; I226-G232 PolarHBondContact N-O 3.44Å; I226-G232 CarbonylContact O-C 3.55Å; I226-G232 WeakPolarHBondContact O-CA 3.16Å; Y229-G232 WeakPolarHBondContact O-CA 3.28Å; Y229-G232 PolarHBondContact O-N 2.8Å; P230-G232 PolarHBondContact O-N 3.01Å
233Q98.8Very high98.7Very high20 Ų2025.7 Ų25.79%0.09315%0.152CC..EExtended strand (participates in β ladder)trans-159.7161.8-179.758168.995.900112C197 Q198 W199 Y223 S224 S231C197-Q233 PolarHBondContact SG-O 2.78Å; Q198-Q233 VanDerWaalsContact CG-NE2 3.3Å; W199-Q233 VanDerWaalsContact CD1-CD 3.45Å; Y223-Q233 HydrophobicContact CD2-CB 4.33Å; S224-Q233 VanDerWaalsContact O-CA 3.24Å; S224-Q233 WeakPolarHBondContact O-CA 3.19Å; S224-Q233 WeakPolarHBondContact O-CB 3.25Å; S231-Q233 VanDerWaalsContact C-N 3.32Å; S231-Q233 PolarHBondContact O-N 3.1Å
234I98.8Very high98.7Very high10 Ų1030.9 Ų30.95%0.05118%0.178CC..EExtended strand (participates in β ladder)trans-148.5156.1176.2-156.3158.9000111.8Y67 Q194 Y223 S224 I226 Y229 F236Y67-I234 HydrophobicContact CD2-CG2 3.65Å; Y67-I234 HydrophobicContact CE2-CG2 4.11Å; Q194-I234 HydrophobicContact CG-CD1 3.88Å; Q194-I234 HydrophobicContact CG-CG1 4.38Å; Q194-I234 VanDerWaalsContact NE2-CD1 3.34Å; Y223-I234 CarbonylContact C-O 3.6Å; Y223-I234 VanDerWaalsContact CA-O 3.24Å; Y223-I234 WeakPolarHBondContact CA-O 3.35Å; Y223-I234 WeakPolarHBondContact CB-O 3.27Å; S224-I234 PolarHBondContact N-O 3Å; S224-I234 PolarHBondContact O-N 3.29Å; I226-I234 HydrophobicContact CG2-CG2 4.06Å; Y229-I234 HydrophobicContact CD2-CB 3.8Å; Y229-I234 HydrophobicContact CD2-CD1 3.49Å; Y229-I234 VanDerWaalsContact CD2-CD1 3.49Å; Y229-I234 HydrophobicContact CD2-CG1 4.29Å; Y229-I234 HydrophobicContact CD2-CG2 3.73Å; Y229-I234 HydrophobicContact CE2-CB 4.4Å; Y229-I234 HydrophobicContact CE2-CD1 3.67Å; Y229-I234 HydrophobicContact CE2-CG2 3.96Å; Y229-I234 HydrophobicContact CG-CD1 4.43Å; I234-F236 HydrophobicContact CG2-CE1 4.48Å; I234-F236 HydrophobicContact CG2-CZ 4.23Å
235G98.8Very high98.7Very high0 Ų031.7 Ų31.70%018%0.183CC..EExtended strand (participates in β ladder)trans-102.4169-176.800000114.5G195 E196 Y221 A222G195-G235 WeakPolarHBondContact CA-O 3.48Å; G195-G235 PolarHBondContact N-O 3.23Å; E196-G235 VanDerWaalsContact O-CA 3.26Å; E196-G235 WeakPolarHBondContact O-CA 3.28Å; E196-G235 PolarHBondContact O-N 2.75Å; Y221-G235 VanDerWaalsContact OH-CA 3.25Å; Y221-G235 WeakPolarHBondContact OH-CA 3.45Å; A222-G235 CarbonylContact O-C 3.5Å; A222-G235 WeakPolarHBondContact O-CA 3.42Å
236F98.9Very high98.7Very high0 Ų032.5 Ų32.50%019%0.185CC..EExtended strand (participates in β ladder)trans-136.2124.4176.1-48-76.4000109.6Y67 M70 I71 L74 S193 Y221 A222 I234 L238Y67-F236 AromaticContact CD2-CE1 3.6Å; Y67-F236 HydrophobicContact CD2-CE1 3.6Å; Y67-F236 AromaticContact CD2-CZ 3.92Å; Y67-F236 HydrophobicContact CD2-CZ 3.92Å; Y67-F236 HydrophobicContact CE2-CD1 4.48Å; Y67-F236 AromaticContact CE2-CE1 3.58Å; Y67-F236 HydrophobicContact CE2-CE1 3.58Å; Y67-F236 HydrophobicContact CE2-CZ 4.35Å; M70-F236 HydrophobicContact CB-CE2 3.75Å; M70-F236 HydrophobicContact CB-CZ 3.73Å; I71-F236 HydrophobicContact CB-CD1 3.93Å; I71-F236 HydrophobicContact CB-CE1 3.64Å; I71-F236 HydrophobicContact CD1-CD1 4.16Å; I71-F236 HydrophobicContact CD1-CE1 4.28Å; I71-F236 HydrophobicContact CG1-CD1 3.83Å; I71-F236 HydrophobicContact CG1-CE1 4.02Å; L74-F236 HydrophobicContact CD1-CB 4.12Å; L74-F236 HydrophobicContact CD1-CD2 3.5Å; L74-F236 VanDerWaalsContact CD1-CD2 3.5Å; L74-F236 HydrophobicContact CD1-CE2 4.11Å; L74-F236 HydrophobicContact CD1-CG 3.9Å; S193-F236 CarbonylContact O-C 3.47Å; S193-F236 VanDerWaalsContact O-CA 3.26Å; S193-F236 WeakPolarHBondContact O-CA 3.32Å; Y221-F236 WeakPolarHBondContact CA-O 3.4Å; A222-F236 HydrophobicContact CB-CD2 4.29Å; A222-F236 PolarHBondContact N-O 3.22Å; A222-F236 VanDerWaalsContact N-O 3.13Å; A222-F236 PolarHBondContact O-N 2.95Å; I234-F236 HydrophobicContact CG2-CE1 4.48Å; I234-F236 HydrophobicContact CG2-CZ 4.23Å; F236-L238 HydrophobicContact CB-CD1 4.46Å
237M98.8Very high98.7Very high1 Ų132.6 Ų32.61%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-86.8116.7171.5-177.258.76100109.1F178 C192 S193 M208 Q209 V219 Y221F178-M237 HydrophobicContact CE1-CG 4.13Å; F178-M237 HydrophobicContact CZ-CG 4.39Å; C192-M237 WeakPolarHBondContact CA-O 3.28Å; S193-M237 PolarHBondContact N-O 3.35Å; S193-M237 PolarHBondContact O-N 3.19Å; M208-M237 HydrophobicContact CB-CE 3.91Å; M208-M237 HydrophobicContact CE-CB 4.44Å; Q209-M237 HydrophobicContact CB-CE 4Å; V219-M237 HydrophobicContact CG1-SD 3.61Å; Y221-M237 HydrophobicContact CD2-CE 4.4Å
238L98.9Very high98.6Very high0 Ų033.5 Ų33.50%018%0.179CC..EExtended strand (participates in β ladder)trans-109.7132179.3-69.9128.9000110.2L74 P75 L191 C192 V219 D220 A222 F236 F247 F276L74-L238 HydrophobicContact CB-CD2 4.03Å; L74-L238 HydrophobicContact CD1-CD1 4.33Å; P75-L238 HydrophobicContact CB-CD2 4.49Å; L191-L238 WeakPolarHBondContact O-CA 3.49Å; C192-L238 HydrophobicContact CB-CD2 4.04Å; V219-L238 VanDerWaalsContact CA-O 3.31Å; V219-L238 WeakPolarHBondContact CA-O 3.49Å; D220-L238 PolarHBondContact N-O 2.84Å; D220-L238 PolarHBondContact O-N 3.15Å; A222-L238 HydrophobicContact CB-CD1 3.92Å; F236-L238 HydrophobicContact CB-CD1 4.46Å; L238-F247 HydrophobicContact CB-CD1 4Å; L238-F247 HydrophobicContact CB-CD2 4.01Å; L238-F247 HydrophobicContact CB-CE1 3.89Å; L238-F247 HydrophobicContact CB-CE2 3.89Å; L238-F247 HydrophobicContact CB-CG 4.07Å; L238-F247 HydrophobicContact CB-CZ 3.83Å; L238-F247 HydrophobicContact CD2-CD1 3.9Å; L238-F247 HydrophobicContact CD2-CE1 3.83Å; L238-F247 HydrophobicContact CG-CD1 4.43Å; L238-F247 HydrophobicContact CG-CE1 4.47Å; L238-F276 HydrophobicContact CD1-CE1 3.75Å; L238-F276 HydrophobicContact CD1-CZ 3.88Å
239C98.9Very high98.6Very high0 Ų037.9 Ų37.90%020%0.199CC..EExtended strand (participates in β ladder)trans-136.8142.9174.9-47.50000111.2I190 L191 F216 V218 V219I190-C239 CarbonylContact C-O 3.59Å; I190-C239 WeakPolarHBondContact CA-O 3.47Å; L191-C239 HydrophobicContact CD1-CB 3.87Å; L191-C239 HydrophobicContact CD2-CB 4.1Å; L191-C239 HydrophobicContact CG-CB 3.78Å; L191-C239 PolarHBondContact N-O 3.34Å; L191-C239 PolarHBondContact O-N 2.78Å; F216-C239 HydrophobicContact CB-CB 3.89Å; F216-C239 HydrophobicContact CD1-CB 3.91Å; F216-C239 HydrophobicContact CD2-CB 3.51Å; F216-C239 HydrophobicContact CE1-CB 4.31Å; F216-C239 HydrophobicContact CE2-CB 3.96Å; F216-C239 HydrophobicContact CG-CB 3.49Å; F216-C239 VanDerWaalsContact CG-CB 3.49Å; F216-C239 HydrophobicContact CZ-CB 4.33Å; V218-C239 VanDerWaalsContact O-CA 3.32Å; V218-C239 WeakPolarHBondContact O-CA 3.45Å; V219-C239 HydrophobicContact CG2-CB 4.41Å
240S98.9Very high98.6Very high0 Ų037.5 Ų37.50%020%0.199CC..EExtended strand (participates in β ladder)trans-125.4142.2178.9-176.50000111.6P217 V218 N242 T245P217-S240 WeakPolarHBondContact CD-O 2.93Å; P217-S240 WeakPolarHBondContact CG-O 3.47Å; V218-S240 PolarHBondContact O-N 2.76Å; S240-N242 VanDerWaalsContact C-N 3.3Å; S240-N242 PolarHBondContact OG-N 2.84Å; S240-N242 PolarHBondContact OG-O 2.86Å; S240-T245 WeakPolarHBondContact CB-OG1 3.48Å; S240-T245 WeakPolarHBondContact OG-CB 3.36Å; S240-T245 PolarHBondContact OG-OG1 2.62Å
241K98.8Very high98.6Very high61 Ų6141 Ų4127%0.26522%0.221SC..SBendtrans-79.4-14.3166.7-71176.664.3170.60112.7K182 L185 R186 G189 F216K182-K241 HydrophobicContact CG-CD 4.42Å; K182-K241 PolarHBondContact O-NZ 2.74Å; L185-K241 HydrophobicContact CB-CD 3.62Å; L185-K241 HydrophobicContact CD1-CD 4.33Å; L185-K241 PolarHBondContact O-NZ 3.02Å; R186-K241 WeakPolarHBondContact O-CD 3.49Å; R186-K241 WeakPolarHBondContact O-CE 3.48Å; R186-K241 PolarHBondContact O-NZ 3.01Å; G189-K241 PolarHBondContact O-N 3.22Å; F216-K241 HydrophobicContact CD1-CG 4.1Å; F216-K241 HydrophobicContact CE1-CG 4.12Å
242N98.4Very high98.4Very high55 Ų5542.4 Ų42.429%0.29422%0.22SC..  trans-89.3117.6175.7-176.94000110V218 S240 E244 T245V218-N242 WeakPolarHBondContact CG2-O 3.26Å; S240-N242 VanDerWaalsContact C-N 3.3Å; S240-N242 PolarHBondContact OG-N 2.84Å; S240-N242 PolarHBondContact OG-O 2.86Å; N242-E244 PolarHBondContact O-N 2.83Å; N242-E244 WeakPolarHBondContact OD1-CB 3.5Å; N242-E244 PolarHBondContact OD1-N 3.11Å; N242-T245 WeakPolarHBondContact O-CB 3.44Å; N242-T245 PolarHBondContact O-N 3.12Å; N242-T245 PolarHBondContact O-OG1 3.19Å
243P98.4Very high98.3Very high82 Ų8243.7 Ų43.753%0.53223%0.228SC..THydrogen-bonded Turntrans-62.9-19.7176.627.1-35.2000113.8P217P217-P243 HydrophobicContact CB-CB 4Å; P217-P243 HydrophobicContact CG-CB 4.36Å
244E98.2Very high98.2Very high160 Ų16043.3 Ų43.375%0.74823%0.226SC*.THydrogen-bonded Turntrans-88.2-0.8179.4-53.7-56.9136.300113.3N242 N246N242-E244 PolarHBondContact O-N 2.83Å; N242-E244 WeakPolarHBondContact OD1-CB 3.5Å; N242-E244 PolarHBondContact OD1-N 3.11Å; E244-N246 PolarHBondContact O-N 3.42Å
245T98.7Very high98.2Very high17 Ų1745.8 Ų45.810%0.10424%0.242CC..  trans-65.3126.7176.8-68.40000110.2I190 V218 S240 N242 F247I190-T245 HydrophobicContact CD1-CG2 4.07Å; V218-T245 WeakPolarHBondContact CG1-O 3.34Å; S240-T245 WeakPolarHBondContact CB-OG1 3.48Å; S240-T245 WeakPolarHBondContact OG-CB 3.36Å; S240-T245 PolarHBondContact OG-OG1 2.62Å; N242-T245 WeakPolarHBondContact O-CB 3.44Å; N242-T245 PolarHBondContact O-N 3.12Å; N242-T245 PolarHBondContact O-OG1 3.19Å; T245-F247 HydrophobicContact CG2-CD1 3.93Å; T245-F247 HydrophobicContact CG2-CD2 4.12Å; T245-F247 HydrophobicContact CG2-CE1 3.76Å; T245-F247 HydrophobicContact CG2-CE2 3.97Å; T245-F247 HydrophobicContact CG2-CG 4.09Å; T245-F247 HydrophobicContact CG2-CZ 3.79Å
246N98.4Very high98.1Very high85 Ų8552.3 Ų52.346%0.45527%0.27SS..  trans-110.4105.3165-178.6-1.4000108.4E244 R248E244-N246 PolarHBondContact O-N 3.42Å; N246-R248 VanDerWaalsContact C-N 3.26Å; N246-R248 PolarHBondContact O-N 3.2Å; N246-R248 WeakPolarHBondContact OD1-CB 3.47Å; N246-R248 PolarHBondContact OD1-N 3.4Å
247F98.7Very high98.1Very high1 Ų158.3 Ų58.30%0.00430%0.298CS..THydrogen-bonded Turntrans-68.8-25.6179.1-75-61.8000113I190 V218 D220 L238 T245 E249 H272 F276I190-F247 HydrophobicContact CD1-CE1 3.91Å; I190-F247 HydrophobicContact CD1-CZ 4.38Å; I190-F247 HydrophobicContact CG1-CE1 4.28Å; I190-F247 HydrophobicContact CG1-CZ 4.33Å; I190-F247 HydrophobicContact CG2-CE1 3.63Å; I190-F247 HydrophobicContact CG2-CZ 3.9Å; V218-F247 HydrophobicContact CB-CE2 4.38Å; V218-F247 HydrophobicContact CG1-CD2 3.72Å; V218-F247 HydrophobicContact CG1-CE2 3.76Å; D220-F247 HydrophobicContact CB-CB 3.98Å; D220-F247 HydrophobicContact CB-CD2 3.83Å; D220-F247 HydrophobicContact CB-CG 4.28Å; L238-F247 HydrophobicContact CB-CD1 4Å; L238-F247 HydrophobicContact CB-CD2 4.01Å; L238-F247 HydrophobicContact CB-CE1 3.89Å; L238-F247 HydrophobicContact CB-CE2 3.89Å; L238-F247 HydrophobicContact CB-CG 4.07Å; L238-F247 HydrophobicContact CB-CZ 3.83Å; L238-F247 HydrophobicContact CD2-CD1 3.9Å; L238-F247 HydrophobicContact CD2-CE1 3.83Å; L238-F247 HydrophobicContact CG-CD1 4.43Å; L238-F247 HydrophobicContact CG-CE1 4.47Å; T245-F247 HydrophobicContact CG2-CD1 3.93Å; T245-F247 HydrophobicContact CG2-CD2 4.12Å; T245-F247 HydrophobicContact CG2-CE1 3.76Å; T245-F247 HydrophobicContact CG2-CE2 3.97Å; T245-F247 HydrophobicContact CG2-CG 4.09Å; T245-F247 HydrophobicContact CG2-CZ 3.79Å; F247-E249 VanDerWaalsContact C-N 3.26Å; F247-E249 PolarHBondContact O-N 3.06Å; F247-H272 PolarHBondContact O-NE2 2.77Å; F247-F276 HydrophobicContact CB-CE1 3.73Å; F247-F276 HydrophobicContact CB-CZ 3.74Å; F247-F276 WeakPolarHBondContact O-CE2 3.16Å; F247-F276 WeakPolarHBondContact O-CZ 3.19Å
248R98.4Very high98Very high92 Ų9260.9 Ų60.935%0.34731%0.31SS..THydrogen-bonded Turntrans-77-16-175.6-55.4-177.4178.1-151-19.8113D220 N246 K273 F276 E288D220-R248 IonicContact OD1-CZ 3.72Å; D220-R248 IonicContact OD1-NE 3.69Å; D220-R248 IonicContact OD1-NH2 2.75Å; D220-R248 PolarHBondContact OD1-NH2 2.95Å; D220-R248 VanDerWaalsContact OD1-NH2 3.13Å; D220-R248 VanDerWaalsContact OD2-CG 3.25Å; D220-R248 WeakPolarHBondContact OD2-CG 3.16Å; D220-R248 IonicContact OD2-CZ 3.65Å; D220-R248 IonicContact OD2-NE 3.88Å; D220-R248 PolarHBondContact OD2-NE 3.18Å; D220-R248 IonicContact OD2-NH2 3.32Å; N246-R248 VanDerWaalsContact C-N 3.26Å; N246-R248 PolarHBondContact O-N 3.2Å; N246-R248 WeakPolarHBondContact OD1-CB 3.47Å; N246-R248 PolarHBondContact OD1-N 3.4Å; R248-K273 WeakPolarHBondContact O-CG 3.25Å; R248-F276 HydrophobicContact CB-CD2 4.41Å; R248-F276 HydrophobicContact CB-CG 4.44Å; R248-F276 HydrophobicContact CG-CB 3.93Å; R248-F276 HydrophobicContact CG-CD1 4.14Å; R248-F276 HydrophobicContact CG-CD2 4.3Å; R248-F276 HydrophobicContact CG-CG 3.87Å; R248-E288 IonicContact CZ-OE2 2.86Å; R248-E288 IonicContact NH2-OE1 3.03Å; R248-E288 IonicContact NH2-OE2 3.29Å; R248-E288 PolarHBondContact NH2-OE2 2.91Å
249E98.4Very high98Very high93 Ų9362.9 Ų62.944%0.43532%0.32SS..SBendtrans-124.1109.7178.8-70.4-65.5161.400108.9F247 V251 K273F247-E249 VanDerWaalsContact C-N 3.26Å; F247-E249 PolarHBondContact O-N 3.06Å; E249-V251 PolarHBondContact O-N 3.02Å; E249-V251 VanDerWaalsContact O-N 3.1Å; E249-K273 IonicContact OE1-NZ 3.85Å; E249-K273 WeakPolarHBondContact OE2-CE 3.19Å; E249-K273 IonicContact OE2-NZ 3.38Å; E249-K273 PolarHBondContact OE2-NZ 3.43Å
250P97.9Very high97.9Very high13 Ų1368.8 Ų68.88%0.08435%0.348CS..  trans-63.9118-177.425.1-32000109.9C77 K252 P269 H272C77-P250 HydrophobicContact CB-CB 4.05Å; C77-P250 CarbonylContact O-C 3.58Å; P250-K252 PolarHBondContact O-N 3.33Å; P250-P269 HydrophobicContact CG-CB 4.27Å; P250-H272 HydrophobicContact CG-CB 4.48Å
251V97.6Very high97.9Very high91 Ų9173.5 Ų73.555%0.55238%0.381SS*.SBendtrans-59.8-29.9176.570.80000111.5C77 S78 H79 P80 E249C77-V251 WeakPolarHBondContact O-CG1 3.5Å; C77-V251 PolarHBondContact O-N 3.37Å; S78-V251 VanDerWaalsContact C-CG1 3.44Å; S78-V251 WeakPolarHBondContact O-CG1 3.47Å; H79-V251 VanDerWaalsContact C-CG1 3.49Å; P80-V251 HydrophobicContact CB-CG1 4.49Å; P80-V251 HydrophobicContact CB-CG2 4.47Å; E249-V251 PolarHBondContact O-N 3.02Å; E249-V251 VanDerWaalsContact O-N 3.1Å
252K95.4Very high97.8Very high81 Ų8171.3 Ų71.335%0.35237%0.372SS..SBendtrans-112.694.2168.1176.354.6172.7153.50109.5C77 P250 L254 E258C77-K252 WeakPolarHBondContact CB-O 3.3Å; C77-K252 PolarHBondContact O-N 2.97Å; P250-K252 PolarHBondContact O-N 3.33Å; K252-L254 HydrophobicContact CG-CD2 4.33Å; K252-L254 PolarHBondContact O-N 3.08Å; K252-E258 WeakPolarHBondContact CE-OE1 3.34Å; K252-E258 IonicContact NZ-OE1 3.77Å; K252-E258 PolarHBondContact NZ-OE1 3.07Å; K252-E258 IonicContact NZ-OE2 3.88Å; K252-E258 PolarHBondContact NZ-OE2 2.89Å
253A96.1Very high97.8Very high56 Ų5674 Ų7446%0.46339%0.386SS..PPolyproline II helixtrans-73.1119.416700000109.6P269A253-P269 HydrophobicContact CB-CB 4.31Å; A253-P269 HydrophobicContact CB-CG 4.17Å
254L97.4Very high97.8Very high12 Ų1271.5 Ų71.56%0.06337%0.368CS..PPolyproline II helixtrans-70.2133.7176.9-60.7-177.4000110.6K252 E258 M259 M262 L264 Y267 P269K252-L254 HydrophobicContact CG-CD2 4.33Å; K252-L254 PolarHBondContact O-N 3.08Å; L254-E258 WeakPolarHBondContact CA-OE2 3.17Å; L254-E258 HydrophobicContact CB-CB 4.39Å; L254-M259 HydrophobicContact CB-CG 3.78Å; L254-M259 HydrophobicContact CB-SD 4.48Å; L254-M259 HydrophobicContact CD1-CG 4.31Å; L254-M262 HydrophobicContact CD1-CE 4.47Å; L254-M262 HydrophobicContact CD1-SD 4Å; L254-L264 HydrophobicContact CD1-CD1 3.83Å; L254-Y267 HydrophobicContact CD1-CD1 4.03Å; L254-Y267 HydrophobicContact CD1-CE1 3.74Å; L254-Y267 HydrophobicContact CG-CE1 4.29Å; L254-P269 WeakPolarHBondContact O-CG 3.21Å
255T98Very high97.8Very high62 Ų6269.9 Ų69.938%0.3836%0.359SS..PPolyproline II helixtrans-74.8166.1172.982.10000111.2E257 E258 M259T255-E257 VanDerWaalsContact C-N 3.26Å; T255-E257 VanDerWaalsContact CB-OE2 3.31Å; T255-E257 WeakPolarHBondContact CB-OE2 3.32Å; T255-E257 PolarHBondContact O-N 3.06Å; T255-E257 PolarHBondContact OG1-N 3.13Å; T255-E257 PolarHBondContact OG1-OE2 3.08Å; T255-E258 PolarHBondContact N-OE2 3.21Å; T255-E258 PolarHBondContact O-N 3.1Å; T255-E258 PolarHBondContact OG1-N 2.95Å; T255-M259 WeakPolarHBondContact O-CG 3.39Å; T255-M259 PolarHBondContact O-N 3.11Å
256K97.6Very high97.8Very high136 Ų13671.2 Ų71.259%0.59136%0.362SS*.Hα-helixtrans-56.8-42.7175-177.2176.8170.1-178.70111.8M259 E260K256-M259 PolarHBondContact O-N 2.87Å; K256-E260 WeakPolarHBondContact CE-OE1 3.3Å; K256-E260 IonicContact NZ-OE1 2.83Å; K256-E260 WeakPolarHBondContact O-CB 3.47Å; K256-E260 WeakPolarHBondContact O-CG 3.43Å; K256-E260 PolarHBondContact O-N 3.46Å
257E98.1Very high97.8Very high126 Ų12667.3 Ų67.359%0.58934%0.341SS*.Hα-helixtrans-66-41178.8-57.474-160.800111.6T255 E260 S261T255-E257 VanDerWaalsContact C-N 3.26Å; T255-E257 VanDerWaalsContact CB-OE2 3.31Å; T255-E257 WeakPolarHBondContact CB-OE2 3.32Å; T255-E257 PolarHBondContact O-N 3.06Å; T255-E257 PolarHBondContact OG1-N 3.13Å; T255-E257 PolarHBondContact OG1-OE2 3.08Å; E257-E260 PolarHBondContact O-N 3.26Å; E257-S261 WeakPolarHBondContact O-CB 3.01Å; E257-S261 PolarHBondContact O-N 3Å; E257-S261 PolarHBondContact O-OG 3.35Å
258E97.8Very high97.8Very high56 Ų5669.7 Ų69.726%0.26235%0.354SS..Hα-helixtrans-60.5-47.9174.2-70.3177.2142.700110.2K252 L254 T255 E260 S261 M262K252-E258 WeakPolarHBondContact CE-OE1 3.34Å; K252-E258 IonicContact NZ-OE1 3.77Å; K252-E258 PolarHBondContact NZ-OE1 3.07Å; K252-E258 IonicContact NZ-OE2 3.88Å; K252-E258 PolarHBondContact NZ-OE2 2.89Å; L254-E258 WeakPolarHBondContact CA-OE2 3.17Å; L254-E258 HydrophobicContact CB-CB 4.39Å; T255-E258 PolarHBondContact N-OE2 3.21Å; T255-E258 PolarHBondContact O-N 3.1Å; T255-E258 PolarHBondContact OG1-N 2.95Å; E258-E260 PolarHBondContact O-N 3.22Å; E258-S261 PolarHBondContact O-N 2.95Å; E258-S261 PolarHBondContact O-OG 2.81Å; E258-M262 WeakPolarHBondContact O-CB 3.24Å; E258-M262 WeakPolarHBondContact O-CG 3.35Å; E258-M262 PolarHBondContact O-N 3.34Å
259M97.9Very high97.9Very high41 Ų4166.2 Ų66.220%0.20234%0.343CS..Hα-helixtrans-63.5-41.5178.9-65-174.3-68.600113.1L254 T255 K256 M262 N263 L264 N268L254-M259 HydrophobicContact CB-CG 3.78Å; L254-M259 HydrophobicContact CB-SD 4.48Å; L254-M259 HydrophobicContact CD1-CG 4.31Å; T255-M259 WeakPolarHBondContact O-CG 3.39Å; T255-M259 PolarHBondContact O-N 3.11Å; K256-M259 PolarHBondContact O-N 2.87Å; M259-M262 CarbonylContact O-C 3.11Å; M259-M262 PolarHBondContact O-N 2.93Å; M259-N263 PolarHBondContact O-N 3.22Å; M259-L264 HydrophobicContact CB-CD1 4.32Å; M259-L264 HydrophobicContact CG-CD1 4.05Å; M259-L264 PolarHBondContact O-N 2.93Å; M259-N268 HydrophobicContact CE-CB 4.35Å; M259-N268 HydrophobicContact SD-CB 3.42Å; M259-N268 WeakPolarHBondContact SD-CB 3.28Å
260E97.4Very high97.9Very high124 Ų12467.5 Ų67.558%0.57935%0.353SS*.Hα-helixtrans-63.1-43.2174.5-75.9176.7-179.800111.1K256 E257 E258 M262 N263K256-E260 WeakPolarHBondContact CE-OE1 3.3Å; K256-E260 IonicContact NZ-OE1 2.83Å; K256-E260 WeakPolarHBondContact O-CB 3.47Å; K256-E260 WeakPolarHBondContact O-CG 3.43Å; K256-E260 PolarHBondContact O-N 3.46Å; E257-E260 PolarHBondContact O-N 3.26Å; E258-E260 PolarHBondContact O-N 3.22Å; E260-M262 VanDerWaalsContact C-N 3.29Å; E260-M262 PolarHBondContact O-N 3.36Å; E260-N263 PolarHBondContact O-N 3.27Å; E260-N263 VanDerWaalsContact O-N 3.08Å
261S97.7Very high97.9Very high100 Ų10069.3 Ų69.370%0.69936%0.362SS*.Hα-helixtrans-64.9-33.8177.478.40000113E257 E258 N263E257-S261 WeakPolarHBondContact O-CB 3.01Å; E257-S261 PolarHBondContact O-N 3Å; E257-S261 PolarHBondContact O-OG 3.35Å; E258-S261 PolarHBondContact O-N 2.95Å; E258-S261 PolarHBondContact O-OG 2.81Å; S261-N263 VanDerWaalsContact C-N 3.28Å
262M97.7Very high98Very high15 Ų1565 Ų657%0.07434%0.335CS..Hα-helixtrans-81.7-8.8176.3-68175.575.700112.5K101 H102 L254 E258 M259 E260 L264K101-M262 HydrophobicContact CB-CE 3.8Å; K101-M262 HydrophobicContact CB-CG 4.16Å; K101-M262 HydrophobicContact CD-CB 4.09Å; K101-M262 HydrophobicContact CD-CE 4.37Å; K101-M262 HydrophobicContact CD-CG 4.47Å; K101-M262 WeakPolarHBondContact CD-O 3.3Å; K101-M262 WeakPolarHBondContact CE-O 3.18Å; K101-M262 PolarHBondContact NZ-O 3.23Å; H102-M262 WeakPolarHBondContact NE2-CE 3.5Å; L254-M262 HydrophobicContact CD1-CE 4.47Å; L254-M262 HydrophobicContact CD1-SD 4Å; E258-M262 WeakPolarHBondContact O-CB 3.24Å; E258-M262 WeakPolarHBondContact O-CG 3.35Å; E258-M262 PolarHBondContact O-N 3.34Å; M259-M262 CarbonylContact O-C 3.11Å; M259-M262 PolarHBondContact O-N 2.93Å; E260-M262 VanDerWaalsContact C-N 3.29Å; E260-M262 PolarHBondContact O-N 3.36Å; M262-L264 VanDerWaalsContact C-N 3.28Å; M262-L264 HydrophobicContact CB-CD1 4.41Å; M262-L264 HydrophobicContact CB-CD2 3.97Å; M262-L264 HydrophobicContact CB-CG 3.8Å; M262-L264 HydrophobicContact CE-CD2 4.44Å; M262-L264 PolarHBondContact O-N 3.49Å
263N97.6Very high98.1Very high111 Ų11164.7 Ų64.759%0.59433%0.334SS*.THydrogen-bonded Turntrans51.146.9-176.2-172.260.9000112.1M259 E260 S261M259-N263 PolarHBondContact O-N 3.22Å; E260-N263 PolarHBondContact O-N 3.27Å; E260-N263 VanDerWaalsContact O-N 3.08Å; S261-N263 VanDerWaalsContact C-N 3.28Å
264L98.4Very high98.3Very high29 Ų2964.1 Ų64.115%0.15233%0.329CS..  trans-73.3141.9177.5-58.4-176.2000110.8E69 L254 M259 M262 Y267E69-L264 HydrophobicContact CG-CD2 4.05Å; L254-L264 HydrophobicContact CD1-CD1 3.83Å; M259-L264 HydrophobicContact CB-CD1 4.32Å; M259-L264 HydrophobicContact CG-CD1 4.05Å; M259-L264 PolarHBondContact O-N 2.93Å; M262-L264 VanDerWaalsContact C-N 3.28Å; M262-L264 HydrophobicContact CB-CD1 4.41Å; M262-L264 HydrophobicContact CB-CD2 3.97Å; M262-L264 HydrophobicContact CB-CG 3.8Å; M262-L264 HydrophobicContact CE-CD2 4.44Å; M262-L264 PolarHBondContact O-N 3.49Å; L264-Y267 HydrophobicContact CD1-CD1 3.93Å
265K98.7Very high98.3Very high127 Ų12763.9 Ų63.955%0.55233%0.328SS*.SBendtrans-117.5-20.3-177.1-64.2176.3-176.5173.60113F65 E69F65-K265 HydrophobicContact CB-CB 4.42Å; F65-K265 HydrophobicContact CB-CD 4.15Å; F65-K265 HydrophobicContact CD1-CB 4.43Å; F65-K265 HydrophobicContact CD1-CD 3.68Å; F65-K265 HydrophobicContact CD2-CB 3.43Å; F65-K265 VanDerWaalsContact CD2-CB 3.43Å; F65-K265 HydrophobicContact CD2-CD 4.16Å; F65-K265 HydrophobicContact CD2-CG 4.46Å; F65-K265 HydrophobicContact CE1-CD 4.04Å; F65-K265 HydrophobicContact CE2-CB 3.69Å; F65-K265 HydrophobicContact CG-CB 3.86Å; F65-K265 HydrophobicContact CG-CD 3.73Å; F65-K265 HydrophobicContact CG-CG 4.45Å; F65-K265 HydrophobicContact CZ-CB 4.28Å; F65-K265 HydrophobicContact CZ-CD 4.48Å; E69-K265 PolarHBondContact OE1-N 3.45Å; E69-K265 PolarHBondContact OE2-N 3.28Å; E69-K265 VanDerWaalsContact OE2-N 3.12Å
266Y98.9Very high98.4Very high45 Ų4561.1 Ų61.118%0.17631%0.311CS..SBendtrans-126.2-55-178.2-168.3-83.6000111.8F65 A66 E69 M70 S224 T225 N268 I271F65-Y266 HydrophobicContact CE2-CD2 4.45Å; A66-Y266 HydrophobicContact CB-CD2 3.5Å; A66-Y266 HydrophobicContact CB-CE2 3.83Å; A66-Y266 HydrophobicContact CB-CG 3.95Å; E69-Y266 WeakPolarHBondContact OE2-CA 3.4Å; E69-Y266 PolarHBondContact OE2-N 2.88Å; M70-Y266 HydrophobicContact CG-CD1 3.56Å; M70-Y266 HydrophobicContact CG-CE1 3.65Å; M70-Y266 HydrophobicContact SD-CD1 3.68Å; M70-Y266 HydrophobicContact SD-CE1 3.72Å; S224-Y266 WeakPolarHBondContact OG-CE1 3.35Å; S224-Y266 PolarHBondContact OG-OH 3.11Å; T225-Y266 PolarHBondContact N-OH 2.76Å; T225-Y266 VanDerWaalsContact N-OH 3.07Å; T225-Y266 PolarHBondContact OG1-OH 2.96Å; Y266-N268 PolarHBondContact O-N 3.11Å; Y266-I271 HydrophobicContact CD1-CG2 3.89Å; Y266-I271 HydrophobicContact CE1-CG2 3.57Å
267Y98.9Very high98.4Very high3 Ų360.5 Ų60.51%0.01231%0.313CS..  trans-69.4131.5-174.3-178.7-86.1000111.4E69 M70 N73 C77 L254 L264 H272E69-Y267 PolarHBondContact OE2-N 2.84Å; M70-Y267 HydrophobicContact SD-CD2 3.69Å; N73-Y267 HydrophobicContact CB-CD1 3.69Å; N73-Y267 HydrophobicContact CB-CD2 3.44Å; N73-Y267 VanDerWaalsContact CB-CD2 3.44Å; N73-Y267 HydrophobicContact CB-CE1 3.72Å; N73-Y267 HydrophobicContact CB-CE2 3.47Å; N73-Y267 VanDerWaalsContact CB-CE2 3.47Å; N73-Y267 HydrophobicContact CB-CG 3.55Å; C77-Y267 WeakPolarHBondContact CB-OH 3.4Å; C77-Y267 PolarHBondContact SG-OH 3.01Å; L254-Y267 HydrophobicContact CD1-CD1 4.03Å; L254-Y267 HydrophobicContact CD1-CE1 3.74Å; L254-Y267 HydrophobicContact CG-CE1 4.29Å; L264-Y267 HydrophobicContact CD1-CD1 3.93Å; Y267-H272 HydrophobicContact CE2-CB 3.74Å; Y267-H272 AromaticContact CE2-CG 3.99Å; Y267-H272 AromaticContact CE2-ND1 3.45Å; Y267-H272 WeakPolarHBondContact CE2-ND1 3.46Å; Y267-H272 AromaticContact CZ-ND1 3.54Å; Y267-H272 PolarHBondContact OH-ND1 3.29Å
268N98.8Very high98.4Very high50 Ų5055.1 Ų55.127%0.26729%0.288SS..  trans-151.4167.6162.362.562.9000108.5M259 Y266 D270 I271 H272M259-N268 HydrophobicContact CE-CB 4.35Å; M259-N268 HydrophobicContact SD-CB 3.42Å; M259-N268 WeakPolarHBondContact SD-CB 3.28Å; Y266-N268 PolarHBondContact O-N 3.11Å; N268-D270 VanDerWaalsContact C-N 3.25Å; N268-D270 PolarHBondContact O-N 2.97Å; N268-D270 PolarHBondContact OD1-N 3.49Å; N268-I271 VanDerWaalsContact ND2-CG1 3.3Å; N268-I271 WeakPolarHBondContact ND2-CG1 3.32Å; N268-I271 PolarHBondContact O-N 2.99Å; N268-I271 WeakPolarHBondContact OD1-CG1 3.49Å; N268-I271 PolarHBondContact OD1-N 3.42Å; N268-H272 PolarHBondContact O-N 3.12Å
269P98.7Very high98.5Very high20 Ų2054.3 Ų54.313%0.1329%0.288CS..Hα-helixtrans-58.4-31.3-177.3-27.836.5000114.9P250 A253 L254 H272 K273P250-P269 HydrophobicContact CG-CB 4.27Å; A253-P269 HydrophobicContact CB-CB 4.31Å; A253-P269 HydrophobicContact CB-CG 4.17Å; L254-P269 WeakPolarHBondContact O-CG 3.21Å; P269-H272 WeakPolarHBondContact O-CB 3.43Å; P269-K273 WeakPolarHBondContact O-CG 3.26Å; P269-K273 PolarHBondContact O-N 3.15Å
270D98.8Very high98.5Very high120 Ų12056.8 Ų56.864%0.64230%0.299SS*.Hα-helixtrans-76.2-38.8178.9-65.8-29.8000111.3N268 H272 K273 A274N268-D270 VanDerWaalsContact C-N 3.25Å; N268-D270 PolarHBondContact O-N 2.97Å; N268-D270 PolarHBondContact OD1-N 3.49Å; D270-H272 VanDerWaalsContact C-N 3.34Å; D270-K273 PolarHBondContact O-N 3.37Å; D270-A274 WeakPolarHBondContact O-CB 3.15Å; D270-A274 PolarHBondContact O-N 3.29Å
271I98.8Very high98.5Very high51 Ų5154.5 Ų54.526%0.26229%0.287SS..Hα-helixtrans-62.2-42.4171-69.6-66.6000110.6M70 Y266 N268 K273 A274 S275M70-I271 HydrophobicContact CE-CG2 4.32Å; M70-I271 HydrophobicContact SD-CG2 3.84Å; Y266-I271 HydrophobicContact CD1-CG2 3.89Å; Y266-I271 HydrophobicContact CE1-CG2 3.57Å; N268-I271 VanDerWaalsContact ND2-CG1 3.3Å; N268-I271 WeakPolarHBondContact ND2-CG1 3.32Å; N268-I271 PolarHBondContact O-N 2.99Å; N268-I271 WeakPolarHBondContact OD1-CG1 3.49Å; N268-I271 PolarHBondContact OD1-N 3.42Å; I271-K273 VanDerWaalsContact C-N 3.33Å; I271-K273 PolarHBondContact O-N 2.94Å; I271-A274 PolarHBondContact O-N 2.77Å; I271-S275 WeakPolarHBondContact O-CB 3.34Å; I271-S275 PolarHBondContact O-N 3.11Å; I271-S275 PolarHBondContact O-OG 2.75Å; I271-S275 VanDerWaalsContact O-OG 3.11Å
272H98.9Very high98.6Very high0 Ų049.7 Ų49.70%025%0.254CS..Hα-helixtrans-51.6-52.7174-176120.4000111S78 F247 P250 Y267 N268 P269 D270 S275 F276S78-H272 PolarHBondContact OG-CE1 3.19Å; F247-H272 PolarHBondContact O-NE2 2.77Å; P250-H272 HydrophobicContact CG-CB 4.48Å; Y267-H272 HydrophobicContact CE2-CB 3.74Å; Y267-H272 AromaticContact CE2-CG 3.99Å; Y267-H272 AromaticContact CE2-ND1 3.45Å; Y267-H272 WeakPolarHBondContact CE2-ND1 3.46Å; Y267-H272 AromaticContact CZ-ND1 3.54Å; Y267-H272 PolarHBondContact OH-ND1 3.29Å; N268-H272 PolarHBondContact O-N 3.12Å; P269-H272 WeakPolarHBondContact O-CB 3.43Å; D270-H272 VanDerWaalsContact C-N 3.34Å; H272-S275 PolarHBondContact O-N 2.75Å; H272-F276 AromaticContact CD2-CE2 3.68Å; H272-F276 AromaticContact NE2-CE2 3.81Å; H272-F276 WeakPolarHBondContact O-CD2 3.13Å; H272-F276 VanDerWaalsContact O-CE2 3.22Å; H272-F276 WeakPolarHBondContact O-CE2 3.37Å
273K98.8Very high98.5Very high75 Ų7552.4 Ų52.433%0.32626%0.263SS..Hα-helixtrans-62.8-46179-63174.4-167.7-140.40111.8R248 E249 P269 D270 I271 S275 F276R248-K273 WeakPolarHBondContact O-CG 3.25Å; E249-K273 IonicContact OE1-NZ 3.85Å; E249-K273 WeakPolarHBondContact OE2-CE 3.19Å; E249-K273 IonicContact OE2-NZ 3.38Å; E249-K273 PolarHBondContact OE2-NZ 3.43Å; P269-K273 WeakPolarHBondContact O-CG 3.26Å; P269-K273 PolarHBondContact O-N 3.15Å; D270-K273 PolarHBondContact O-N 3.37Å; I271-K273 VanDerWaalsContact C-N 3.33Å; I271-K273 PolarHBondContact O-N 2.94Å; K273-S275 VanDerWaalsContact C-N 3.26Å; K273-S275 PolarHBondContact O-N 2.86Å; K273-F276 PolarHBondContact O-N 2.94Å
274A98.8Very high98.5Very high44 Ų4454.1 Ų54.136%0.36427%0.265SS..Hα-helixtrans-64.9-29.5-177.100000112.9D270 I271 F276 I277D270-A274 WeakPolarHBondContact O-CB 3.15Å; D270-A274 PolarHBondContact O-N 3.29Å; I271-A274 PolarHBondContact O-N 2.77Å; A274-F276 PolarHBondContact O-N 2.92Å; A274-I277 WeakPolarHBondContact O-CB 3.08Å; A274-I277 PolarHBondContact O-N 2.78Å
275S98.8Very high98.5Very high6 Ų655.2 Ų55.24%0.04227%0.273CS..THydrogen-bonded Turntrans-64.6-16.9179.4-77.60000114.5M70 A222 Y223 I271 H272 K273M70-S275 WeakPolarHBondContact CE-OG 3.41Å; A222-S275 CarbonylContact C-O 3.57Å; A222-S275 VanDerWaalsContact CA-O 3.27Å; A222-S275 WeakPolarHBondContact CA-O 3.09Å; Y223-S275 VanDerWaalsContact CD1-O 3.28Å; Y223-S275 WeakPolarHBondContact CD1-O 3.15Å; Y223-S275 PolarHBondContact N-O 3.33Å; Y223-S275 WeakPolarHBondContact O-CB 3.27Å; Y223-S275 PolarHBondContact O-OG 2.87Å; I271-S275 WeakPolarHBondContact O-CB 3.34Å; I271-S275 PolarHBondContact O-N 3.11Å; I271-S275 PolarHBondContact O-OG 2.75Å; I271-S275 VanDerWaalsContact O-OG 3.11Å; H272-S275 PolarHBondContact O-N 2.75Å; K273-S275 VanDerWaalsContact C-N 3.26Å; K273-S275 PolarHBondContact O-N 2.86Å
276F98.7Very high98.3Very high4 Ų449.2 Ų49.22%0.01825%0.247CC..THydrogen-bonded Turntrans-91.7-3.9172.4-61-87.9000113L74 D220 A222 L238 F247 R248 H272 K273 A274 L278L74-F276 HydrophobicContact CD2-CE2 3.92Å; L74-F276 HydrophobicContact CD2-CZ 3.98Å; D220-F276 HydrophobicContact CB-CD1 4.22Å; D220-F276 HydrophobicContact CB-CE1 4.02Å; A222-F276 HydrophobicContact CB-CD1 3.96Å; A222-F276 HydrophobicContact CB-CE1 3.7Å; A222-F276 HydrophobicContact CB-CE2 4.29Å; A222-F276 HydrophobicContact CB-CG 4.38Å; A222-F276 HydrophobicContact CB-CZ 3.87Å; L238-F276 HydrophobicContact CD1-CE1 3.75Å; L238-F276 HydrophobicContact CD1-CZ 3.88Å; F247-F276 HydrophobicContact CB-CE1 3.73Å; F247-F276 HydrophobicContact CB-CZ 3.74Å; F247-F276 WeakPolarHBondContact O-CE2 3.16Å; F247-F276 WeakPolarHBondContact O-CZ 3.19Å; R248-F276 HydrophobicContact CB-CD2 4.41Å; R248-F276 HydrophobicContact CB-CG 4.44Å; R248-F276 HydrophobicContact CG-CB 3.93Å; R248-F276 HydrophobicContact CG-CD1 4.14Å; R248-F276 HydrophobicContact CG-CD2 4.3Å; R248-F276 HydrophobicContact CG-CG 3.87Å; H272-F276 AromaticContact CD2-CE2 3.68Å; H272-F276 AromaticContact NE2-CE2 3.81Å; H272-F276 WeakPolarHBondContact O-CD2 3.13Å; H272-F276 VanDerWaalsContact O-CE2 3.22Å; H272-F276 WeakPolarHBondContact O-CE2 3.37Å; K273-F276 PolarHBondContact O-N 2.94Å; A274-F276 PolarHBondContact O-N 2.92Å; F276-L278 PolarHBondContact O-N 2.92Å
277I98.4Very high97.5Very high124 Ų12449.9 Ų49.964%0.63627%0.268SS*.  trans-86.695177.9-54.9177.2000108.4A274A274-I277 WeakPolarHBondContact O-CB 3.08Å; A274-I277 PolarHBondContact O-N 2.78Å
278L98.6Very high96Very high13 Ų1350.8 Ų50.87%0.06827%0.272CS..  trans-83.6146.8-176.7-51.8-174.5000112.3Y221 Y223 F276 A282 R283 L286 E288Y221-L278 HydrophobicContact CD1-CD1 3.89Å; Y221-L278 HydrophobicContact CD1-CD2 3.89Å; Y221-L278 HydrophobicContact CE1-CD2 4.15Å; Y223-L278 HydrophobicContact CD1-CD2 3.79Å; Y223-L278 HydrophobicContact CE1-CD2 4.23Å; F276-L278 PolarHBondContact O-N 2.92Å; L278-A282 HydrophobicContact CB-CB 4.26Å; L278-A282 HydrophobicContact CD1-CB 4.49Å; L278-R283 HydrophobicContact CB-CB 4.41Å; L278-L286 HydrophobicContact CD1-CD1 3.71Å; L278-E288 WeakPolarHBondContact CD1-OE1 2.84Å
279P98.6Very high93.1Very high39 Ų3955.6 Ų55.625%0.25332%0.319SS..  trans-48.5145.4163.3-26.633.5000112.5Q198 F281 A282 R283Q198-P279 VanDerWaalsContact OE1-CD 3.26Å; P279-F281 HydrophobicContact CB-CD1 3.69Å; P279-F281 HydrophobicContact CB-CE1 3.44Å; P279-F281 VanDerWaalsContact CB-CE1 3.44Å; P279-F281 HydrophobicContact CB-CZ 4.29Å; P279-F281 HydrophobicContact CG-CE1 4.06Å; P279-F281 PolarHBondContact O-N 3.07Å; P279-A282 PolarHBondContact O-N 3.14Å; P279-R283 PolarHBondContact O-N 2.83Å
280E98.4Very high92.8Very high93 Ų9357.4 Ų57.444%0.43533%0.328SS..Hα-helixtrans-55-34.6-172.5179.360.1-168.100113.9R283 K284E280-R283 VanDerWaalsContact CD-NH2 3.33Å; E280-R283 IonicContact OE1-CZ 3.48Å; E280-R283 IonicContact OE1-NE 2.83Å; E280-R283 IonicContact OE1-NH2 2.96Å; E280-R283 PolarHBondContact OE1-NH2 3.28Å; E280-R283 IonicContact OE2-CZ 3.44Å; E280-R283 VanDerWaalsContact OE2-CZ 3.32Å; E280-R283 IonicContact OE2-NE 3.23Å; E280-R283 PolarHBondContact OE2-NE 2.8Å; E280-R283 IonicContact OE2-NH2 3.93Å; E280-R283 PolarHBondContact OE2-NH2 3.22Å; E280-K284 VanDerWaalsContact O-CG 3.32Å; E280-K284 WeakPolarHBondContact O-CG 3.19Å; E280-K284 PolarHBondContact O-N 2.81Å; E280-K284 VanDerWaalsContact O-N 3.11Å; E280-K284 WeakPolarHBondContact OE1-CE 3.47Å; E280-K284 IonicContact OE1-NZ 3.85Å
281F98.3Very high92.5Very high75 Ų7554.1 Ų54.133%0.32931%0.312SS..Hα-helixtrans-66.2-41.5178.575.2-93.5000111.9Q198 W199 L202 P279 V285Q198-F281 WeakPolarHBondContact O-CE2 3.1Å; W199-F281 HydrophobicContact CD2-CE1 4.16Å; W199-F281 AromaticContact CD2-CZ 3.78Å; W199-F281 HydrophobicContact CD2-CZ 3.78Å; W199-F281 AromaticContact CE2-CE1 3.97Å; W199-F281 AromaticContact CE2-CZ 3.93Å; W199-F281 HydrophobicContact CE3-CE1 4.09Å; W199-F281 AromaticContact CE3-CZ 3.86Å; W199-F281 HydrophobicContact CE3-CZ 3.86Å; W199-F281 HydrophobicContact CG-CZ 4.33Å; W199-F281 HydrophobicContact CH2-CD1 4.48Å; W199-F281 AromaticContact CH2-CE1 3.67Å; W199-F281 HydrophobicContact CH2-CE1 3.67Å; W199-F281 HydrophobicContact CH2-CZ 4.26Å; W199-F281 AromaticContact CZ2-CE1 3.73Å; W199-F281 HydrophobicContact CZ2-CE1 3.73Å; W199-F281 HydrophobicContact CZ2-CZ 4.18Å; W199-F281 AromaticContact CZ3-CE1 3.85Å; W199-F281 HydrophobicContact CZ3-CE1 3.85Å; W199-F281 HydrophobicContact CZ3-CZ 4.11Å; L202-F281 HydrophobicContact CD2-CD2 3.9Å; L202-F281 HydrophobicContact CD2-CE2 4.1Å; P279-F281 HydrophobicContact CB-CD1 3.69Å; P279-F281 HydrophobicContact CB-CE1 3.44Å; P279-F281 VanDerWaalsContact CB-CE1 3.44Å; P279-F281 HydrophobicContact CB-CZ 4.29Å; P279-F281 HydrophobicContact CG-CE1 4.06Å; P279-F281 PolarHBondContact O-N 3.07Å; F281-V285 WeakPolarHBondContact O-CG2 3.47Å; F281-V285 PolarHBondContact O-N 3.29Å
282A98.4Very high92.2Very high0 Ų054.3 Ų54.30%032%0.315CS..Hα-helixtrans-73.1-44.6179.100000110.5Q198 L202 L278 P279 K284 V285 L286Q198-A282 HydrophobicContact CB-CB 4.38Å; L202-A282 HydrophobicContact CD1-CB 3.95Å; L278-A282 HydrophobicContact CB-CB 4.26Å; L278-A282 HydrophobicContact CD1-CB 4.49Å; P279-A282 PolarHBondContact O-N 3.14Å; A282-K284 VanDerWaalsContact C-N 3.31Å; A282-K284 PolarHBondContact O-N 3.27Å; A282-V285 PolarHBondContact O-N 3.08Å; A282-L286 WeakPolarHBondContact O-CG 3.3Å; A282-L286 PolarHBondContact O-N 3.46Å
283R97.4Very high91.8Very high71 Ų7157.5 Ų57.527%0.26833%0.333SS..Hα-helixtrans-51.8-46.8176.1-168-167.768.989.7-4112.4L278 P279 E280 V285 G287 E288 A289L278-R283 HydrophobicContact CB-CB 4.41Å; P279-R283 PolarHBondContact O-N 2.83Å; E280-R283 VanDerWaalsContact CD-NH2 3.33Å; E280-R283 IonicContact OE1-CZ 3.48Å; E280-R283 IonicContact OE1-NE 2.83Å; E280-R283 IonicContact OE1-NH2 2.96Å; E280-R283 PolarHBondContact OE1-NH2 3.28Å; E280-R283 IonicContact OE2-CZ 3.44Å; E280-R283 VanDerWaalsContact OE2-CZ 3.32Å; E280-R283 IonicContact OE2-NE 3.23Å; E280-R283 PolarHBondContact OE2-NE 2.8Å; E280-R283 IonicContact OE2-NH2 3.93Å; E280-R283 PolarHBondContact OE2-NH2 3.22Å; R283-V285 VanDerWaalsContact C-N 3.33Å; R283-V285 PolarHBondContact O-N 3.4Å; R283-G287 PolarHBondContact O-N 3.06Å; R283-G287 VanDerWaalsContact O-N 3.15Å; R283-E288 VanDerWaalsContact CD-O 3.3Å; R283-E288 WeakPolarHBondContact CD-O 3.16Å; R283-E288 HydrophobicContact CG-CB 3.78Å; R283-E288 WeakPolarHBondContact CG-O 3.42Å; R283-E288 PolarHBondContact NH1-O 2.83Å; R283-E288 PolarHBondContact O-N 3.03Å; R283-A289 PolarHBondContact NH1-OXT 3.07Å; R283-A289 VanDerWaalsContact NH1-OXT 3.12Å
284K97.1Very high91.4Very high147 Ų14756.4 Ų56.464%0.63933%0.334SS*.Hα-helixtrans-60.5-38.6176.4-77.5-178.5-171.9-1780113.3E280 A282E280-K284 VanDerWaalsContact O-CG 3.32Å; E280-K284 WeakPolarHBondContact O-CG 3.19Å; E280-K284 PolarHBondContact O-N 2.81Å; E280-K284 VanDerWaalsContact O-N 3.11Å; E280-K284 WeakPolarHBondContact OE1-CE 3.47Å; E280-K284 IonicContact OE1-NZ 3.85Å; A282-K284 VanDerWaalsContact C-N 3.31Å; A282-K284 PolarHBondContact O-N 3.27Å
285V97.1Very high90.9Very high52 Ų5257.2 Ų57.232%0.31533%0.332SS..Hα-helixtrans-78.4-36.5-175.8174.70000111.8L202 K206 F281 A282 R283 G287L202-V285 HydrophobicContact CD1-CB 4.43Å; L202-V285 HydrophobicContact CD1-CG1 4.4Å; L202-V285 HydrophobicContact CD2-CB 3.84Å; L202-V285 HydrophobicContact CD2-CG1 4.04Å; L202-V285 HydrophobicContact CD2-CG2 3.76Å; L202-V285 HydrophobicContact CG-CB 4.13Å; L202-V285 HydrophobicContact CG-CG1 3.88Å; K206-V285 HydrophobicContact CB-CG1 4.32Å; K206-V285 HydrophobicContact CD-CG1 3.8Å; K206-V285 HydrophobicContact CG-CG1 4.45Å; F281-V285 WeakPolarHBondContact O-CG2 3.47Å; F281-V285 PolarHBondContact O-N 3.29Å; A282-V285 PolarHBondContact O-N 3.08Å; R283-V285 VanDerWaalsContact C-N 3.33Å; R283-V285 PolarHBondContact O-N 3.4Å; V285-G287 VanDerWaalsContact C-N 3.33Å
286L95.7Very high90.3Very high2 Ų260.9 Ų60.91%0.0135%0.352CS..Hα-helixtrans-86.8-2.1-178.5-58.7-175.7000113.8L202 I205 K206 Q209 Y221 L278 A282L202-L286 HydrophobicContact CD1-CD1 4.35Å; L202-L286 HydrophobicContact CD1-CD2 4.22Å; L202-L286 HydrophobicContact CD1-CG 4.16Å; I205-L286 HydrophobicContact CB-CD2 4.44Å; I205-L286 HydrophobicContact CG2-CD1 3.85Å; I205-L286 HydrophobicContact CG2-CD2 3.78Å; I205-L286 HydrophobicContact CG2-CG 4.49Å; K206-L286 HydrophobicContact CB-CD2 4.05Å; Q209-L286 PolarHBondContact NE2-O 3.35Å; Q209-L286 VanDerWaalsContact NE2-O 3.16Å; Q209-L286 PolarHBondContact OE1-O 2.72Å; Y221-L286 HydrophobicContact CD1-CD1 4.08Å; Y221-L286 HydrophobicContact CG-CD1 4.26Å; L278-L286 HydrophobicContact CD1-CD1 3.71Å; A282-L286 WeakPolarHBondContact O-CG 3.3Å; A282-L286 PolarHBondContact O-N 3.46Å
287G82.6Confident89.7Confident59 Ų5965.2 Ų65.261%0.60838%0.378SS*.THydrogen-bonded Turntrans72.528.6172.800000113.8R283 V285 A289R283-G287 PolarHBondContact O-N 3.06Å; R283-G287 VanDerWaalsContact O-N 3.15Å; V285-G287 VanDerWaalsContact C-N 3.33Å; G287-A289 PolarHBondContact O-N 2.97Å
288E65.7Low88.9Confident21 Ų2160.3 Ų60.310%0.09836%0.357CS..  trans-86.678.6176.1-64.8-176.5-16000109.1R248 L278 R283R248-E288 IonicContact CZ-OE2 2.86Å; R248-E288 IonicContact NH2-OE1 3.03Å; R248-E288 IonicContact NH2-OE2 3.29Å; R248-E288 PolarHBondContact NH2-OE2 2.91Å; L278-E288 WeakPolarHBondContact CD1-OE1 2.84Å; R283-E288 VanDerWaalsContact CD-O 3.3Å; R283-E288 WeakPolarHBondContact CD-O 3.16Å; R283-E288 HydrophobicContact CG-CB 3.78Å; R283-E288 WeakPolarHBondContact CG-O 3.42Å; R283-E288 PolarHBondContact NH1-O 2.83Å; R283-E288 PolarHBondContact O-N 3.03Å
289A39.2Very low88Confident152 Ų15264.6 Ų64.6100%1.25638%0.383SS*.  trans-70.40-179.100000112.4R283 G287R283-A289 PolarHBondContact NH1-OXT 3.07Å; R283-A289 VanDerWaalsContact NH1-OXT 3.12Å; G287-A289 PolarHBondContact O-N 2.97Å

Retrieved 289 of 289 residues in 89.9 ms (Link to these results)

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