A0A096N1N0_PAPAN Loading...

L-lactate dehydrogenase

AlphaFold DB (F7GNJ6), UniProt , Accession A0A096N1N0, Species PAPAN (Papio anubis, Olive baboon), Gene LDHAL6A, Length 332 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
1M77.7Confident90.8Very high239 Ų239126.3 Ų126.3100%1.17767%0.666SS**  0140.80-80175166.300108.2
2A82.1Confident90.7Very high67 Ų67130.8 Ų130.855%0.55468%0.677SS**  trans-63.3140.8171.600000109.5E7A2-E7 HydrophobicContact CB-CG 3.98Å; A2-E7 WeakPolarHBondContact CB-OE1 3.19Å
3T93Very high90.6Very high80 Ų80128.6 Ų128.649%0.49167%0.673SS.*  trans-97.6155.5175.365.90000109.6K5 S6 E7T3-K5 PolarHBondContact O-N 3.38Å; T3-K5 VanDerWaalsContact O-N 3.16Å; T3-S6 PolarHBondContact N-OG 2.91Å; T3-S6 PolarHBondContact O-N 3.05Å; T3-S6 PolarHBondContact O-OG 3Å; T3-S6 PolarHBondContact OG1-N 2.82Å; T3-S6 VanDerWaalsContact OG1-N 3.1Å; T3-S6 PolarHBondContact OG1-OG 3.16Å; T3-E7 PolarHBondContact O-N 3.48Å
4V94.8Very high90.2Very high119 Ų119132.9 Ų132.972%0.72168%0.683SS**Hα-helixtrans-51.2-41.1172.2176.30000110.9S6 E7 L8V4-S6 PolarHBondContact O-N 2.87Å; V4-E7 PolarHBondContact O-N 2.87Å; V4-L8 WeakPolarHBondContact O-CB 3.35Å; V4-L8 PolarHBondContact O-N 3.49Å
5K92.2Very high89.4Confident155 Ų155136.3 Ų136.367%0.67470%0.695SS**Hα-helixtrans-60.7-45.5177.2-176.4175.9-179.2175.40112.4T3 E7 I9T3-K5 PolarHBondContact O-N 3.38Å; T3-K5 VanDerWaalsContact O-N 3.16Å; K5-E7 VanDerWaalsContact C-N 3.33Å; K5-I9 HydrophobicContact CG-CD1 4.46Å; K5-I9 WeakPolarHBondContact O-CB 3.44Å; K5-I9 PolarHBondContact O-N 3.1Å
6S91.2Very high88.6Confident70 Ų70138.8 Ų138.849%0.4970%0.703SS.*Hα-helixtrans-72.7-24.9-178.453.60000113.6T3 V4T3-S6 PolarHBondContact N-OG 2.91Å; T3-S6 PolarHBondContact O-N 3.05Å; T3-S6 PolarHBondContact O-OG 3Å; T3-S6 PolarHBondContact OG1-N 2.82Å; T3-S6 VanDerWaalsContact OG1-N 3.1Å; T3-S6 PolarHBondContact OG1-OG 3.16Å; V4-S6 PolarHBondContact O-N 2.87Å
7E95.9Very high87.5Confident153 Ų153135 Ų13572%0.71570%0.698SS**Hα-helixtrans-82.9-36.7174.1-67.8-174.3172.800112.1A2 T3 V4 K5A2-E7 HydrophobicContact CB-CG 3.98Å; A2-E7 WeakPolarHBondContact CB-OE1 3.19Å; T3-E7 PolarHBondContact O-N 3.48Å; V4-E7 PolarHBondContact O-N 2.87Å; K5-E7 VanDerWaalsContact C-N 3.33Å
8L95.4Very high86.6Confident137 Ų137134.6 Ų134.672%0.71770%0.696SS**Hα-helixtrans-80.8-39.7-179-17863.5000113.3V4V4-L8 WeakPolarHBondContact O-CB 3.35Å; V4-L8 PolarHBondContact O-N 3.49Å
9I93.3Very high86Confident93 Ų93130.6 Ų130.648%0.47767%0.674SS.*  trans-119.4113.7-169.4-54.6178.5000110.2K5 N11K5-I9 HydrophobicContact CG-CD1 4.46Å; K5-I9 WeakPolarHBondContact O-CB 3.44Å; K5-I9 PolarHBondContact O-N 3.1Å; I9-N11 PolarHBondContact O-N 2.96Å
10K93.1Very high85.7Confident162 Ų162130.4 Ų130.470%0.70467%0.669SS**  trans-85108.5168.5-173.4173.7-179176.50109.7F12K10-F12 HydrophobicContact CD-CE1 4.43Å; K10-F12 HydrophobicContact CD-CZ 4.1Å; K10-F12 HydrophobicContact CG-CZ 4.41Å
11N89.8Confident85.9Confident114 Ų114127.1 Ų127.161%0.6165%0.653SS**  trans-82.6124176.7-172.3-99000110.3I9 T13I9-N11 PolarHBondContact O-N 2.96Å; N11-T13 VanDerWaalsContact CG-O 3.27Å; N11-T13 PolarHBondContact ND2-O 2.95Å; N11-T13 PolarHBondContact OD1-O 2.89Å
12F90.5Very high86.8Confident180 Ų180116.6 Ų116.679%0.78960%0.601SS**SBendtrans-92.1-30.9175.8-69.4-82.4000112.6K10K10-F12 HydrophobicContact CD-CE1 4.43Å; K10-F12 HydrophobicContact CD-CZ 4.1Å; K10-F12 HydrophobicContact CG-CZ 4.41Å
13T88.9Confident87.6Confident103 Ų103113.4 Ų113.463%0.63257%0.574SS**SBendtrans-153153.7176.1-174.50000109.6N11N11-T13 VanDerWaalsContact CG-O 3.27Å; N11-T13 PolarHBondContact ND2-O 2.95Å; N11-T13 PolarHBondContact OD1-O 2.89Å
14K84.6Confident87.8Confident188 Ų188109.6 Ų109.682%0.81755%0.551SS**  trans-69.6136.5165.4-72.6-177.5178.4179.40108.6
15E78.6Confident88Confident184 Ų184103.9 Ų103.986%0.8652%0.516SS*.  trans-111.2117173.7-170.1166.5-160.400107.1
16E75.9Confident88.3Confident176 Ų17696.7 Ų96.782%0.82249%0.485SS*.  trans-86.9129.3166.7-71.3-174.8173.200107.4I18E16-I18 PolarHBondContact O-N 3.09Å
17A70.3Confident88.6Confident75 Ų7593.5 Ų93.562%0.6246%0.463SS*.  trans-66.2111.6178.600000109.3
18I71.2Confident88.7Confident128 Ų12886.2 Ų86.266%0.65643%0.43SS*.  trans-90.1116.6169.7-58.6175.8000106.8E16E16-I18 PolarHBondContact O-N 3.09Å
19H76.1Confident88.7Confident59 Ų5981 Ų8127%0.27341%0.409SS..  trans-95.2118.6177.4-56.1-62.8000109.3K22 E47H19-K22 HydrophobicContact CB-CB 4.23Å; H19-E47 HydrophobicContact CB-CB 4.26Å; H19-E47 IonicContact CD2-OE2 2.96Å; H19-E47 PolarHBondContact CD2-OE2 3.08Å; H19-E47 IonicContact CE1-OE2 3.94Å; H19-E47 IonicContact CG-OE2 3.29Å; H19-E47 VanDerWaalsContact CG-OE2 3.29Å; H19-E47 IonicContact ND1-OE2 3.89Å; H19-E47 IonicContact NE2-OE1 3.8Å; H19-E47 IonicContact NE2-OE2 3.44Å; H19-E47 PolarHBondContact NE2-OE2 2.94Å
20H79.4Confident88.9Confident126 Ų12678.3 Ų78.358%0.58340%0.398SS*.SBendtrans-93.8-29.8-178.1-65.8-70.3000112.7D46 N90H20-D46 PolarHBondContact N-OD2 2.93Å; H20-N90 VanDerWaalsContact O-CG 3.29Å; H20-N90 PolarHBondContact O-ND2 3.03Å; H20-N90 PolarHBondContact O-OD1 3.48Å; H20-N90 VanDerWaalsContact O-OD1 3.09Å
21N90.8Very high89.1Confident62 Ų6272.2 Ų72.233%0.33237%0.374SS..SBendtrans-130.239.4-173.1-72.9-40.9000112.7I23 S45 D46 N90N21-I23 PolarHBondContact O-N 3.3Å; N21-S45 WeakPolarHBondContact O-CB 3.47Å; N21-S45 PolarHBondContact O-OG 2.94Å; N21-D46 VanDerWaalsContact C-OD1 3.23Å; N21-D46 WeakPolarHBondContact CA-OD1 3.23Å; N21-D46 PolarHBondContact N-OD1 2.66Å; N21-D46 PolarHBondContact N-OD2 3.14Å; N21-N90 WeakPolarHBondContact CA-OD1 3.26Å
22K96Very high89.5Confident17 Ų1766.8 Ų66.87%0.07435%0.346CS..  trans-58.8130-179-177.6177.2-171150.50112.3H19 D46 E47 V49 V85 A87 N90 L91H19-K22 HydrophobicContact CB-CB 4.23Å; K22-D46 PolarHBondContact N-OD1 2.68Å; K22-E47 HydrophobicContact CB-CB 4.39Å; K22-E47 WeakPolarHBondContact CD-OE2 3.36Å; K22-E47 WeakPolarHBondContact CE-OE2 3.39Å; K22-E47 HydrophobicContact CG-CB 4.17Å; K22-E47 HydrophobicContact CG-CG 4.34Å; K22-E47 IonicContact NZ-OE1 3.3Å; K22-E47 IonicContact NZ-OE2 3.54Å; K22-E47 PolarHBondContact NZ-OE2 3.3Å; K22-V49 HydrophobicContact CG-CG2 4.45Å; K22-V85 WeakPolarHBondContact CE-O 3.42Å; K22-V85 PolarHBondContact NZ-O 3.27Å; K22-A87 VanDerWaalsContact CD-O 3.28Å; K22-A87 WeakPolarHBondContact CD-O 3.24Å; K22-A87 VanDerWaalsContact CE-O 3.26Å; K22-A87 WeakPolarHBondContact CE-O 3.08Å; K22-A87 PolarHBondContact NZ-O 2.75Å; K22-N90 PolarHBondContact N-OD1 2.73Å; K22-N90 PolarHBondContact O-N 3.37Å; K22-L91 PolarHBondContact O-N 2.83Å
23I98Very high89.8Confident0 Ų059.4 Ų59.40%032%0.315CS..EExtended strand (participates in β ladder)trans-119130.4174.9-59.6174.8000109.5N21 I25 I39 E47 L48 V49 L91 I93 T260 L264N21-I23 PolarHBondContact O-N 3.3Å; I23-I25 HydrophobicContact CG2-CG1 4.28Å; I23-I39 HydrophobicContact CD1-CD1 4.26Å; I23-I39 HydrophobicContact CD1-CG1 4.48Å; I23-I39 HydrophobicContact CD1-CG2 3.62Å; I23-I39 HydrophobicContact CG2-CD1 4.34Å; I23-E47 PolarHBondContact N-O 2.99Å; I23-L48 HydrophobicContact CB-CD1 4.34Å; I23-L48 HydrophobicContact CG2-CD1 4.26Å; I23-L48 WeakPolarHBondContact O-CA 3.48Å; I23-V49 PolarHBondContact O-N 3.07Å; I23-L91 WeakPolarHBondContact CA-O 3.12Å; I23-L91 HydrophobicContact CG1-CB 4.5Å; I23-I93 HydrophobicContact CG2-CD1 3.91Å; I23-I93 HydrophobicContact CG2-CG1 4.29Å; I23-T260 HydrophobicContact CD1-CG2 3.69Å; I23-L264 HydrophobicContact CD1-CD1 3.53Å; I23-L264 HydrophobicContact CG1-CD1 3.79Å
24S98.6Very high90.3Very high0 Ų054.6 Ų54.60%029%0.286CS..EExtended strand (participates in β ladder)trans-106.3134166.1-65.10000111.4V49 T86 S89 L91 V92 I93S24-V49 CarbonylContact C-O 3.57Å; S24-V49 WeakPolarHBondContact CA-O 3.48Å; S24-V49 WeakPolarHBondContact OG-CB 3.38Å; S24-T86 WeakPolarHBondContact OG-CA 3.42Å; S24-T86 VanDerWaalsContact OG-CB 3.32Å; S24-T86 WeakPolarHBondContact OG-CB 3.29Å; S24-S89 PolarHBondContact OG-OG 3.01Å; S24-L91 PolarHBondContact N-O 2.82Å; S24-V92 CarbonylContact O-C 3.54Å; S24-V92 WeakPolarHBondContact O-CA 3.24Å; S24-I93 PolarHBondContact O-N 3.44Å
25I98.8Very high90.9Very high0 Ų045.7 Ų45.70%025%0.247CC..EExtended strand (participates in β ladder)trans-112.1119170.6-56.9179.8000108.2I23 C35 A36 I39 L48 V49 L50 V51 I93 T95I23-I25 HydrophobicContact CG2-CG1 4.28Å; I25-C35 HydrophobicContact CD1-CB 4.07Å; I25-A36 HydrophobicContact CD1-CB 3.88Å; I25-I39 HydrophobicContact CD1-CD1 4.11Å; I25-L48 HydrophobicContact CD1-CD1 3.87Å; I25-L48 HydrophobicContact CG1-CD1 4.01Å; I25-V49 PolarHBondContact N-O 2.97Å; I25-L50 HydrophobicContact CB-CD2 3.94Å; I25-L50 HydrophobicContact CD1-CD2 4.45Å; I25-V51 PolarHBondContact O-N 3.06Å; I25-I93 WeakPolarHBondContact CA-O 3.47Å; I25-I93 HydrophobicContact CG1-CB 4.3Å; I25-I93 HydrophobicContact CG1-CD1 4.35Å; I25-T95 HydrophobicContact CG2-CG2 4.3Å
26V98.6Very high91.8Very high3 Ų336.9 Ų36.92%0.01821%0.206CC..EExtended strand (participates in β ladder)trans-98117.1175.7-169.80000108.7V51 Y83 V92 I93 T95 A96 M120 I124V26-V51 HydrophobicContact CG1-CB 4.38Å; V26-V51 HydrophobicContact CG1-CG1 4.39Å; V26-V51 HydrophobicContact CG2-CB 4.39Å; V26-Y83 HydrophobicContact CG1-CE1 4.15Å; V26-Y83 WeakPolarHBondContact CG1-OH 3.37Å; V26-Y83 HydrophobicContact CG2-CE1 4.11Å; V26-V92 HydrophobicContact CG2-CG1 3.96Å; V26-I93 PolarHBondContact N-O 2.82Å; V26-T95 CarbonylContact O-C 3.31Å; V26-T95 PolarHBondContact O-N 3.26Å; V26-T95 PolarHBondContact O-OG1 3.36Å; V26-T95 VanDerWaalsContact O-OG1 3.08Å; V26-A96 HydrophobicContact CG1-CB 4.14Å; V26-A96 PolarHBondContact O-N 3Å; V26-M120 HydrophobicContact CB-SD 4.13Å; V26-M120 HydrophobicContact CG1-CG 4.27Å; V26-M120 HydrophobicContact CG1-SD 3.47Å; V26-M120 WeakPolarHBondContact CG1-SD 3.05Å; V26-I124 HydrophobicContact CG2-CD1 4Å
27G97.7Very high92.8Very high3 Ų331.5 Ų31.53%0.03118%0.182CC..  trans101122.8-170.400000112.2G32 V51 T95G27-G32 WeakPolarHBondContact O-CA 3.48Å; G27-V51 PolarHBondContact N-O 3.37Å; G27-T95 PolarHBondContact O-OG1 3.44Å; G27-T95 VanDerWaalsContact O-OG1 3.08Å
28T97Very high94.1Very high1 Ų128.5 Ų28.51%0.00616%0.157CC..  trans-106.228.3174.759.40000111.4V33 L50 D52 K57 L58T28-V33 WeakPolarHBondContact O-CG2 3.42Å; T28-L50 HydrophobicContact CG2-CB 4.09Å; T28-L50 HydrophobicContact CG2-CD1 4.27Å; T28-D52 HydrophobicContact CG2-CB 4.1Å; T28-D52 PolarHBondContact N-OD2 3.32Å; T28-D52 WeakPolarHBondContact OG1-CB 3.47Å; T28-D52 VanDerWaalsContact OG1-CG 3.29Å; T28-D52 PolarHBondContact OG1-OD2 2.9Å; T28-K57 VanDerWaalsContact O-CE 3.24Å; T28-K57 WeakPolarHBondContact O-CE 3.44Å; T28-K57 PolarHBondContact O-NZ 2.91Å; T28-L58 HydrophobicContact CG2-CD1 3.53Å
29G96Very high95.3Very high27 Ų2722.4 Ų22.428%0.27813%0.126SC..SBendtrans-65.6176.7167.200000112.1V31 G32 V33G29-V31 PolarHBondContact O-N 3.46Å; G29-G32 PolarHBondContact O-N 3.24Å; G29-V33 PolarHBondContact O-N 2.91Å
30S96.5Very high96.1Very high36 Ų3619.7 Ų19.725%0.25211%0.113SC..Hα-helixtrans-55.4-28.3179.6-48.90000114A34 Y247 S249S30-A34 VanDerWaalsContact O-CB 3.23Å; S30-A34 WeakPolarHBondContact O-CB 3.35Å; S30-A34 PolarHBondContact O-N 3.09Å; S30-Y247 VanDerWaalsContact CB-CD2 3.5Å; S30-S249 WeakPolarHBondContact O-CB 3.31Å
31V97.8Very high96.8Very high34 Ų3420 Ų2021%0.20612%0.118CC..Hα-helixtrans-74.8-51.4173.6176.50000110.8G29 V33 A34 C35 T95 V136 T248 I252G29-V31 PolarHBondContact O-N 3.46Å; V31-V33 PolarHBondContact O-N 3.39Å; V31-A34 PolarHBondContact O-N 3.47Å; V31-C35 PolarHBondContact O-N 3.42Å; V31-C35 PolarHBondContact O-SG 3.34Å; V31-T95 HydrophobicContact CG1-CG2 3.97Å; V31-V136 HydrophobicContact CG1-CG1 3.93Å; V31-T248 WeakPolarHBondContact CG2-O 3.37Å; V31-I252 HydrophobicContact CG1-CG1 4.46Å; V31-I252 HydrophobicContact CG1-CG2 3.99Å; V31-I252 HydrophobicContact CG2-CG2 4.06Å
32G98.1Very high97Very high1 Ų121 Ų211%0.0112%0.12CC..Hα-helixtrans-58.6-45.7-178.300000113.6G27 G29 C35 A36 T95G27-G32 WeakPolarHBondContact O-CA 3.48Å; G29-G32 PolarHBondContact O-N 3.24Å; G32-C35 WeakPolarHBondContact O-CB 3.05Å; G32-C35 PolarHBondContact O-N 3.03Å; G32-A36 PolarHBondContact O-N 3.04Å; G32-T95 WeakPolarHBondContact CA-OG1 3.43Å
33V97.6Very high96.8Very high25 Ų2522 Ų2215%0.15213%0.134CC..Hα-helixtrans-66.2-40.6177.2178.60000111.4T28 G29 V31 C35 A36 I37 E61T28-V33 WeakPolarHBondContact O-CG2 3.42Å; G29-V33 PolarHBondContact O-N 2.91Å; V31-V33 PolarHBondContact O-N 3.39Å; V33-C35 VanDerWaalsContact C-N 3.33Å; V33-C35 PolarHBondContact O-N 2.71Å; V33-A36 WeakPolarHBondContact O-CB 3.33Å; V33-A36 PolarHBondContact O-N 3.1Å; V33-I37 PolarHBondContact O-N 3.45Å; V33-E61 WeakPolarHBondContact CG1-OE2 3.32Å; V33-E61 HydrophobicContact CG2-CB 4.37Å; V33-E61 HydrophobicContact CG2-CG 3.95Å; V33-E61 WeakPolarHBondContact CG2-OE2 3.31Å
34A98.3Very high96.5Very high2 Ų222.3 Ų22.32%0.01714%0.136CC..Hα-helixtrans-64-38.717500000112S30 V31 S38 W250 S253S30-A34 VanDerWaalsContact O-CB 3.23Å; S30-A34 WeakPolarHBondContact O-CB 3.35Å; S30-A34 PolarHBondContact O-N 3.09Å; V31-A34 PolarHBondContact O-N 3.47Å; A34-S38 WeakPolarHBondContact O-CB 3.31Å; A34-S38 PolarHBondContact O-N 2.99Å; A34-S38 PolarHBondContact O-OG 2.96Å; A34-W250 HydrophobicContact CB-CE3 3.73Å; A34-W250 HydrophobicContact CB-CZ3 3.68Å; A34-S253 WeakPolarHBondContact O-CB 3.33Å
35C98.5Very high96.2Very high0 Ų022.7 Ų22.70%014%0.139CC..Hα-helixtrans-62.4-45.8173-70.10000111.1I25 V31 G32 V33 I37 S38 I39 V256I25-C35 HydrophobicContact CD1-CB 4.07Å; V31-C35 PolarHBondContact O-N 3.42Å; V31-C35 PolarHBondContact O-SG 3.34Å; G32-C35 WeakPolarHBondContact O-CB 3.05Å; G32-C35 PolarHBondContact O-N 3.03Å; V33-C35 VanDerWaalsContact C-N 3.33Å; V33-C35 PolarHBondContact O-N 2.71Å; C35-I37 PolarHBondContact O-N 3.33Å; C35-S38 PolarHBondContact O-N 3.38Å; C35-I39 WeakPolarHBondContact O-CB 3.44Å; C35-I39 WeakPolarHBondContact O-CD1 3.49Å; C35-I39 WeakPolarHBondContact O-CG1 3.41Å; C35-I39 PolarHBondContact O-N 3.26Å; C35-V256 HydrophobicContact CB-CG1 4.38Å
36A97.5Very high95.9Very high0 Ų024.2 Ų24.20%015%0.147CC..Hα-helixtrans-53.7-52.9176.400000111.4I25 G32 V33 S38 I39 L40 L48 L50 L65I25-A36 HydrophobicContact CD1-CB 3.88Å; G32-A36 PolarHBondContact O-N 3.04Å; V33-A36 WeakPolarHBondContact O-CB 3.33Å; V33-A36 PolarHBondContact O-N 3.1Å; A36-S38 PolarHBondContact O-N 3.44Å; A36-I39 PolarHBondContact O-N 3.4Å; A36-L40 WeakPolarHBondContact O-CB 3.49Å; A36-L40 WeakPolarHBondContact O-CD1 3.37Å; A36-L40 VanDerWaalsContact O-CG 3.31Å; A36-L40 WeakPolarHBondContact O-CG 3.28Å; A36-L40 PolarHBondContact O-N 2.93Å; A36-L48 HydrophobicContact CB-CD2 3.83Å; A36-L50 HydrophobicContact CB-CD2 4.35Å; A36-L65 HydrophobicContact CB-CD1 4.03Å
37I96.5Very high95.7Very high62 Ų6224.7 Ų24.732%0.31815%0.149SC..Hα-helixtrans-60.7-45177.6-69.7-69.7000111.8V33 C35 I39 L40 L41 L65V33-I37 PolarHBondContact O-N 3.45Å; C35-I37 PolarHBondContact O-N 3.33Å; I37-I39 VanDerWaalsContact C-N 3.28Å; I37-I39 PolarHBondContact O-N 3.34Å; I37-L40 HydrophobicContact CD1-CD1 4.47Å; I37-L40 PolarHBondContact O-N 2.9Å; I37-L41 HydrophobicContact CG2-CD1 3.76Å; I37-L41 HydrophobicContact CG2-CG 4.25Å; I37-L41 WeakPolarHBondContact O-CB 3.1Å; I37-L41 WeakPolarHBondContact O-CG 3.08Å; I37-L41 PolarHBondContact O-N 3.28Å; I37-L65 HydrophobicContact CD1-CD2 3.22Å; I37-L65 HydrophobicContact CG1-CD2 3.91Å
38S97.2Very high95.6Very high13 Ų1324.6 Ų24.69%0.09115%0.148CC..Hα-helixtrans-63-37.6-178.8-56.20000111.8A34 C35 A36 K42 S253A34-S38 WeakPolarHBondContact O-CB 3.31Å; A34-S38 PolarHBondContact O-N 2.99Å; A34-S38 PolarHBondContact O-OG 2.96Å; C35-S38 PolarHBondContact O-N 3.38Å; A36-S38 PolarHBondContact O-N 3.44Å; S38-K42 WeakPolarHBondContact O-CB 3.28Å; S38-K42 PolarHBondContact O-N 3.02Å; S38-S253 WeakPolarHBondContact OG-CB 3.34Å; S38-S253 PolarHBondContact OG-OG 3.07Å
39I95.9Very high95.7Very high0 Ų024.5 Ų24.50%015%0.148CC..Hα-helixtrans-69.3-45.9175.5-76.6162000111.4I23 I25 C35 A36 I37 K42 G43 L44 I93 A257 T260I23-I39 HydrophobicContact CD1-CD1 4.26Å; I23-I39 HydrophobicContact CD1-CG1 4.48Å; I23-I39 HydrophobicContact CD1-CG2 3.62Å; I23-I39 HydrophobicContact CG2-CD1 4.34Å; I25-I39 HydrophobicContact CD1-CD1 4.11Å; C35-I39 WeakPolarHBondContact O-CB 3.44Å; C35-I39 WeakPolarHBondContact O-CD1 3.49Å; C35-I39 WeakPolarHBondContact O-CG1 3.41Å; C35-I39 PolarHBondContact O-N 3.26Å; A36-I39 PolarHBondContact O-N 3.4Å; I37-I39 VanDerWaalsContact C-N 3.28Å; I37-I39 PolarHBondContact O-N 3.34Å; I39-K42 PolarHBondContact O-N 3.16Å; I39-G43 PolarHBondContact O-N 3.4Å; I39-G43 VanDerWaalsContact O-N 3.1Å; I39-L44 HydrophobicContact CG1-CD1 4.49Å; I39-L44 HydrophobicContact CG2-CB 4.37Å; I39-L44 PolarHBondContact O-N 3.08Å; I39-I93 HydrophobicContact CD1-CD1 3.5Å; I39-A257 HydrophobicContact CG1-CB 4.47Å; I39-T260 HydrophobicContact CG1-CG2 4.37Å
40L94.4Very high95.8Very high2 Ų223.3 Ų23.31%0.0114%0.135CC..Hα-helixtrans-57.1-50.2177.6-83.5159.5000111.3A36 I37 K42 G43 L48 L65 M72 M74 I77A36-L40 WeakPolarHBondContact O-CB 3.49Å; A36-L40 WeakPolarHBondContact O-CD1 3.37Å; A36-L40 VanDerWaalsContact O-CG 3.31Å; A36-L40 WeakPolarHBondContact O-CG 3.28Å; A36-L40 PolarHBondContact O-N 2.93Å; I37-L40 HydrophobicContact CD1-CD1 4.47Å; I37-L40 PolarHBondContact O-N 2.9Å; L40-K42 VanDerWaalsContact C-N 3.31Å; L40-K42 PolarHBondContact O-N 2.92Å; L40-G43 PolarHBondContact O-N 3.05Å; L40-L48 HydrophobicContact CD1-CD2 4.06Å; L40-L48 HydrophobicContact CG-CD2 4.18Å; L40-L65 HydrophobicContact CD1-CD1 4.19Å; L40-L65 HydrophobicContact CD1-CD2 3.78Å; L40-L65 HydrophobicContact CD1-CG 4.4Å; L40-M72 HydrophobicContact CB-SD 3.74Å; L40-M72 HydrophobicContact CD1-CE 4.19Å; L40-M72 HydrophobicContact CD1-SD 3.86Å; L40-M72 HydrophobicContact CD2-CB 4.49Å; L40-M72 HydrophobicContact CD2-CE 3.82Å; L40-M72 HydrophobicContact CD2-SD 3.61Å; L40-M72 HydrophobicContact CG-SD 3.96Å; L40-M74 HydrophobicContact CB-CE 4.41Å; L40-M74 HydrophobicContact CD2-CB 3.9Å; L40-M74 HydrophobicContact CD2-CE 3.09Å; L40-M74 HydrophobicContact CD2-CG 4.35Å; L40-M74 HydrophobicContact CD2-SD 4.5Å; L40-M74 HydrophobicContact CG-CE 3.53Å; L40-I77 HydrophobicContact CD1-CD1 4.18Å; L40-I77 HydrophobicContact CD2-CD1 3.75Å; L40-I77 HydrophobicContact CD2-CG1 4.39Å
41L93.8Very high95.9Very high132 Ų13221.7 Ų21.769%0.69112%0.123SC*.Hα-helixtrans-67.4-30.1-178.2-68.3176.7000113I37 G43I37-L41 HydrophobicContact CG2-CD1 3.76Å; I37-L41 HydrophobicContact CG2-CG 4.25Å; I37-L41 WeakPolarHBondContact O-CB 3.1Å; I37-L41 WeakPolarHBondContact O-CG 3.08Å; I37-L41 PolarHBondContact O-N 3.28Å; L41-G43 VanDerWaalsContact C-N 3.31Å
42K93.8Very high95.9Very high83 Ų8321.9 Ų21.936%0.36112%0.123SC..Hα-helixtrans-80.1-9.4172.8-78.6-166.4165.7-167.80113.8S38 I39 L40 L44 A257 E261S38-K42 WeakPolarHBondContact O-CB 3.28Å; S38-K42 PolarHBondContact O-N 3.02Å; I39-K42 PolarHBondContact O-N 3.16Å; L40-K42 VanDerWaalsContact C-N 3.31Å; L40-K42 PolarHBondContact O-N 2.92Å; K42-L44 VanDerWaalsContact C-N 3.34Å; K42-L44 HydrophobicContact CB-CD1 3.93Å; K42-L44 HydrophobicContact CB-CD2 3.97Å; K42-L44 HydrophobicContact CB-CG 3.58Å; K42-L44 HydrophobicContact CD-CD1 4.05Å; K42-L44 HydrophobicContact CD-CG 4.48Å; K42-L44 PolarHBondContact O-N 3.38Å; K42-A257 HydrophobicContact CD-CB 4.16Å; K42-E261 IonicContact NZ-OE2 2.82Å; K42-E261 PolarHBondContact NZ-OE2 3.35Å
43G92.7Very high95.7Very high37 Ų3725.4 Ų25.438%0.38115%0.152SC..THydrogen-bonded Turntrans59.541.6-178.800000113I39 L40 L41I39-G43 PolarHBondContact O-N 3.4Å; I39-G43 VanDerWaalsContact O-N 3.1Å; L40-G43 PolarHBondContact O-N 3.05Å; L41-G43 VanDerWaalsContact C-N 3.31Å
44L91.8Very high95.7Very high7 Ų728.3 Ų28.34%0.03717%0.167CC..  trans-85.4-9.9-173.9-58.5178000114.3I39 K42 A257 T260 E261 L264I39-L44 HydrophobicContact CG1-CD1 4.49Å; I39-L44 HydrophobicContact CG2-CB 4.37Å; I39-L44 PolarHBondContact O-N 3.08Å; K42-L44 VanDerWaalsContact C-N 3.34Å; K42-L44 HydrophobicContact CB-CD1 3.93Å; K42-L44 HydrophobicContact CB-CD2 3.97Å; K42-L44 HydrophobicContact CB-CG 3.58Å; K42-L44 HydrophobicContact CD-CD1 4.05Å; K42-L44 HydrophobicContact CD-CG 4.48Å; K42-L44 PolarHBondContact O-N 3.38Å; L44-A257 WeakPolarHBondContact CD1-O 3.41Å; L44-T260 HydrophobicContact CB-CG2 4.36Å; L44-T260 HydrophobicContact CD1-CG2 3.79Å; L44-E261 HydrophobicContact CD1-CB 4.01Å; L44-E261 HydrophobicContact CD2-CB 3.9Å; L44-E261 HydrophobicContact CD2-CG 4Å; L44-L264 HydrophobicContact CB-CD1 4.42Å; L44-L264 VanDerWaalsContact O-CD1 3.28Å; L44-L264 WeakPolarHBondContact O-CD1 3.46Å
45S91.8Very high95.5Very high9 Ų933.8 Ų33.86%0.06319%0.192CC..  trans-138.5153.6-173.81800000111.2N21 E47 M74N21-S45 WeakPolarHBondContact O-CB 3.47Å; N21-S45 PolarHBondContact O-OG 2.94Å; S45-E47 PolarHBondContact OG-N 3.08Å; S45-E47 PolarHBondContact OG-O 3.32Å; S45-M74 VanDerWaalsContact C-SD 3.6Å; S45-M74 VanDerWaalsContact CB-SD 3.57Å; S45-M74 VanDerWaalsContact O-SD 3.34Å
46D91.4Very high95.5Very high32 Ų3236.5 Ų36.517%0.17122%0.221CC..SBendtrans-99.6-15.1167.752.34.6000113.1H20 N21 K22 P75H20-D46 PolarHBondContact N-OD2 2.93Å; N21-D46 VanDerWaalsContact C-OD1 3.23Å; N21-D46 WeakPolarHBondContact CA-OD1 3.23Å; N21-D46 PolarHBondContact N-OD1 2.66Å; N21-D46 PolarHBondContact N-OD2 3.14Å; K22-D46 PolarHBondContact N-OD1 2.68Å; D46-P75 VanDerWaalsContact O-CD 3.26Å; D46-P75 WeakPolarHBondContact O-CD 3.45Å; D46-P75 VanDerWaalsContact O-CG 3.24Å; D46-P75 WeakPolarHBondContact O-CG 3.24Å
47E94.5Very high95.4Very high13 Ų1340.1 Ų40.16%0.06124%0.236CC..EExtended strand (participates in β ladder)trans-143.9125.3171.6-174.5178.8-155.800111.2H19 K22 I23 S45 V49 N76H19-E47 HydrophobicContact CB-CB 4.26Å; H19-E47 IonicContact CD2-OE2 2.96Å; H19-E47 PolarHBondContact CD2-OE2 3.08Å; H19-E47 IonicContact CE1-OE2 3.94Å; H19-E47 IonicContact CG-OE2 3.29Å; H19-E47 VanDerWaalsContact CG-OE2 3.29Å; H19-E47 IonicContact ND1-OE2 3.89Å; H19-E47 IonicContact NE2-OE1 3.8Å; H19-E47 IonicContact NE2-OE2 3.44Å; H19-E47 PolarHBondContact NE2-OE2 2.94Å; K22-E47 HydrophobicContact CB-CB 4.39Å; K22-E47 WeakPolarHBondContact CD-OE2 3.36Å; K22-E47 WeakPolarHBondContact CE-OE2 3.39Å; K22-E47 HydrophobicContact CG-CB 4.17Å; K22-E47 HydrophobicContact CG-CG 4.34Å; K22-E47 IonicContact NZ-OE1 3.3Å; K22-E47 IonicContact NZ-OE2 3.54Å; K22-E47 PolarHBondContact NZ-OE2 3.3Å; I23-E47 PolarHBondContact N-O 2.99Å; S45-E47 PolarHBondContact OG-N 3.08Å; S45-E47 PolarHBondContact OG-O 3.32Å; E47-V49 HydrophobicContact CG-CG2 4.31Å; E47-N76 WeakPolarHBondContact CA-O 3.16Å; E47-N76 HydrophobicContact CG-CB 4.27Å; E47-N76 PolarHBondContact OE1-ND2 3.38Å; E47-N76 VanDerWaalsContact OE1-ND2 3.16Å
48L96.9Very high95.5Very high0 Ų037.3 Ų37.30%022%0.222CC..EExtended strand (participates in β ladder)trans-109.5126.6172.8-179.867.3000110.4I23 I25 A36 L40 L50 L65 M74 N76 I77 V78I23-L48 HydrophobicContact CB-CD1 4.34Å; I23-L48 HydrophobicContact CG2-CD1 4.26Å; I23-L48 WeakPolarHBondContact O-CA 3.48Å; I25-L48 HydrophobicContact CD1-CD1 3.87Å; I25-L48 HydrophobicContact CG1-CD1 4.01Å; A36-L48 HydrophobicContact CB-CD2 3.83Å; L40-L48 HydrophobicContact CD1-CD2 4.06Å; L40-L48 HydrophobicContact CG-CD2 4.18Å; L48-L50 HydrophobicContact CD2-CD2 4.49Å; L48-L50 HydrophobicContact CG-CD2 4.42Å; L48-L65 HydrophobicContact CD2-CD1 4.44Å; L48-M74 HydrophobicContact CB-CE 3.51Å; L48-M74 HydrophobicContact CB-SD 3.74Å; L48-M74 HydrophobicContact CD2-CE 4.15Å; L48-M74 HydrophobicContact CG-CE 4.37Å; L48-N76 PolarHBondContact N-O 2.77Å; L48-I77 HydrophobicContact CB-CG2 4.5Å; L48-I77 HydrophobicContact CD2-CG2 4.43Å; L48-I77 WeakPolarHBondContact O-CA 3.25Å; L48-V78 PolarHBondContact O-N 3.31Å
49V97.9Very high95.5Very high0 Ų043.2 Ų43.20%025%0.246CC..EExtended strand (participates in β ladder)trans-112.3130.9177.4178.10000109.8K22 I23 S24 I25 E47 V51 V78 V85 T86K22-V49 HydrophobicContact CG-CG2 4.45Å; I23-V49 PolarHBondContact O-N 3.07Å; S24-V49 CarbonylContact C-O 3.57Å; S24-V49 WeakPolarHBondContact CA-O 3.48Å; S24-V49 WeakPolarHBondContact OG-CB 3.38Å; I25-V49 PolarHBondContact N-O 2.97Å; E47-V49 HydrophobicContact CG-CG2 4.31Å; V49-V51 HydrophobicContact CG1-CG2 4.17Å; V49-V78 CarbonylContact C-O 3.56Å; V49-V78 VanDerWaalsContact CA-O 3.32Å; V49-V78 WeakPolarHBondContact CA-O 3.47Å; V49-V78 HydrophobicContact CB-CG2 4.37Å; V49-V78 HydrophobicContact CG2-CG2 3.72Å; V49-V85 HydrophobicContact CG1-CB 4.19Å; V49-V85 HydrophobicContact CG1-CG1 3.42Å; V49-V85 VanDerWaalsContact CG1-CG1 3.42Å; V49-V85 HydrophobicContact CG1-CG2 3.91Å; V49-T86 HydrophobicContact CG1-CG2 4.1Å
50L98.5Very high95.6Very high2 Ų245 Ų451%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-109.3134.8171-58.3-177.6000110.7I25 T28 A36 L48 L58 L65 V78 S79 S80I25-L50 HydrophobicContact CB-CD2 3.94Å; I25-L50 HydrophobicContact CD1-CD2 4.45Å; T28-L50 HydrophobicContact CG2-CB 4.09Å; T28-L50 HydrophobicContact CG2-CD1 4.27Å; A36-L50 HydrophobicContact CB-CD2 4.35Å; L48-L50 HydrophobicContact CD2-CD2 4.49Å; L48-L50 HydrophobicContact CG-CD2 4.42Å; L50-L58 HydrophobicContact CB-CD1 3.63Å; L50-L65 HydrophobicContact CD1-CD1 3.91Å; L50-V78 PolarHBondContact N-O 3Å; L50-S79 WeakPolarHBondContact O-CA 3.17Å; L50-S80 PolarHBondContact O-N 2.96Å; L50-S80 VanDerWaalsContact O-N 3.12Å
51V98.4Very high95.8Very high2 Ų247.2 Ų47.21%0.01228%0.275CS..EExtended strand (participates in β ladder)trans-128.3129174.6179.90000109.9I25 V26 G27 V49 S80 Y83 V85 T86I25-V51 PolarHBondContact O-N 3.06Å; V26-V51 HydrophobicContact CG1-CB 4.38Å; V26-V51 HydrophobicContact CG1-CG1 4.39Å; V26-V51 HydrophobicContact CG2-CB 4.39Å; G27-V51 PolarHBondContact N-O 3.37Å; V49-V51 HydrophobicContact CG1-CG2 4.17Å; V51-S80 WeakPolarHBondContact CA-O 3.42Å; V51-Y83 HydrophobicContact CG1-CD1 4.36Å; V51-Y83 HydrophobicContact CG1-CD2 4.48Å; V51-Y83 HydrophobicContact CG1-CE1 4.03Å; V51-Y83 HydrophobicContact CG1-CE2 4.16Å; V51-V85 HydrophobicContact CG2-CG1 3.96Å; V51-T86 HydrophobicContact CG2-CG2 3.48Å; V51-T86 VanDerWaalsContact CG2-CG2 3.48Å
52D97.8Very high95.9Very high37 Ų3741.1 Ų41.120%0.19824%0.243CC..  trans-150.6158.3172.9-152.8-63.1000110.5T28 D54 L58T28-D52 HydrophobicContact CG2-CB 4.1Å; T28-D52 PolarHBondContact N-OD2 3.32Å; T28-D52 WeakPolarHBondContact OG1-CB 3.47Å; T28-D52 VanDerWaalsContact OG1-CG 3.29Å; T28-D52 PolarHBondContact OG1-OD2 2.9Å; D52-D54 PolarHBondContact OD1-N 3.09Å; D52-L58 HydrophobicContact CB-CB 4.18Å; D52-L58 HydrophobicContact CB-CD1 4.11Å; D52-L58 HydrophobicContact CB-CD2 4.47Å; D52-L58 HydrophobicContact CB-CG 4.5Å
53A95.4Very high96.1Very high76 Ų7641 Ų4163%0.62825%0.245SC*.SBendtrans-78-27.2173.600000112.3E55A53-E55 PolarHBondContact O-N 2.83Å
54D96Very high96.3Very high86 Ų8644.5 Ų44.546%0.4626%0.255SS..  trans-83.693174.9-173.6-21.4000110.5D52 G56 K57 L58D52-D54 PolarHBondContact OD1-N 3.09Å; D54-G56 VanDerWaalsContact C-N 3.3Å; D54-G56 PolarHBondContact O-N 2.87Å; D54-G56 PolarHBondContact OD1-N 2.69Å; D54-K57 HydrophobicContact CB-CB 4.08Å; D54-K57 VanDerWaalsContact CG-CB 3.49Å; D54-K57 PolarHBondContact O-N 2.79Å; D54-K57 PolarHBondContact OD1-N 3.4Å; D54-L58 WeakPolarHBondContact O-CB 3.41Å; D54-L58 PolarHBondContact O-N 3.25Å
55E95.3Very high96.5Very high116 Ų11644.7 Ų44.754%0.54226%0.256SS..Hα-helixtrans-62-35.5-177.7-70.2175.1-15200113.3A53 K59 K81A53-E55 PolarHBondContact O-N 2.83Å; E55-K59 VanDerWaalsContact O-CB 3.31Å; E55-K59 WeakPolarHBondContact O-CB 3.38Å; E55-K59 PolarHBondContact O-N 3.36Å; E55-K81 HydrophobicContact CG-CB 4.19Å; E55-K81 HydrophobicContact CG-CD 3.93Å; E55-K81 WeakPolarHBondContact OE1-CD 3.33Å; E55-K81 IonicContact OE1-NZ 2.79Å; E55-K81 PolarHBondContact OE1-NZ 3.2Å
56G97.2Very high96.7Very high58 Ų5848.1 Ų48.160%0.59827%0.271SS*.Hα-helixtrans-66.1-49.3-179.300000110.6D54 G60D54-G56 VanDerWaalsContact C-N 3.3Å; D54-G56 PolarHBondContact O-N 2.87Å; D54-G56 PolarHBondContact OD1-N 2.69Å; G56-G60 PolarHBondContact O-N 2.93Å; G56-G60 VanDerWaalsContact O-N 3.14Å
57K96.8Very high96.9Very high75 Ų7552.9 Ų52.933%0.32629%0.292SS..Hα-helixtrans-63.8-48.1175-170.9-179.2-173.1-165.30111.9T28 D54 K59 G60 E61T28-K57 VanDerWaalsContact O-CE 3.24Å; T28-K57 WeakPolarHBondContact O-CE 3.44Å; T28-K57 PolarHBondContact O-NZ 2.91Å; D54-K57 HydrophobicContact CB-CB 4.08Å; D54-K57 VanDerWaalsContact CG-CB 3.49Å; D54-K57 PolarHBondContact O-N 2.79Å; D54-K57 PolarHBondContact OD1-N 3.4Å; K57-K59 VanDerWaalsContact C-N 3.28Å; K57-K59 PolarHBondContact O-N 3.33Å; K57-G60 PolarHBondContact O-N 2.94Å; K57-G60 VanDerWaalsContact O-N 3.08Å; K57-E61 WeakPolarHBondContact CE-OE1 3.33Å; K57-E61 HydrophobicContact CG-CG 4.07Å; K57-E61 WeakPolarHBondContact O-CG 3.4Å; K57-E61 PolarHBondContact O-N 2.86Å
58L97.9Very high96.8Very high4 Ų453.1 Ų53.12%0.02130%0.298CS..Hα-helixtrans-52.6-47.5179.917961.8000111.8T28 L50 D52 D54 T62T28-L58 HydrophobicContact CG2-CD1 3.53Å; L50-L58 HydrophobicContact CB-CD1 3.63Å; D52-L58 HydrophobicContact CB-CB 4.18Å; D52-L58 HydrophobicContact CB-CD1 4.11Å; D52-L58 HydrophobicContact CB-CD2 4.47Å; D52-L58 HydrophobicContact CB-CG 4.5Å; D54-L58 WeakPolarHBondContact O-CB 3.41Å; D54-L58 PolarHBondContact O-N 3.25Å; L58-T62 WeakPolarHBondContact O-CB 3.38Å; L58-T62 PolarHBondContact O-N 3Å; L58-T62 PolarHBondContact O-OG1 3.44Å
59K97.1Very high96.5Very high136 Ų13655.3 Ų55.359%0.59131%0.314SS*.Hα-helixtrans-65.2-43.1178.3-173.9176.6-179179.50111.8E55 K57 T62 M63E55-K59 VanDerWaalsContact O-CB 3.31Å; E55-K59 WeakPolarHBondContact O-CB 3.38Å; E55-K59 PolarHBondContact O-N 3.36Å; K57-K59 VanDerWaalsContact C-N 3.28Å; K57-K59 PolarHBondContact O-N 3.33Å; K59-T62 PolarHBondContact O-N 3.33Å; K59-M63 HydrophobicContact CG-CG 4.44Å; K59-M63 HydrophobicContact CG-SD 4Å; K59-M63 WeakPolarHBondContact O-CB 3.32Å; K59-M63 VanDerWaalsContact O-CG 3.29Å; K59-M63 WeakPolarHBondContact O-CG 3.23Å; K59-M63 PolarHBondContact O-N 2.91Å
60G98.1Very high96.3Very high39 Ų3960.5 Ų60.540%0.40235%0.347SS..Hα-helixtrans-59.3-52.517800000112.6G56 K57 T62 M63 D64G56-G60 PolarHBondContact O-N 2.93Å; G56-G60 VanDerWaalsContact O-N 3.14Å; K57-G60 PolarHBondContact O-N 2.94Å; K57-G60 VanDerWaalsContact O-N 3.08Å; G60-T62 VanDerWaalsContact C-N 3.3Å; G60-T62 PolarHBondContact O-N 3.03Å; G60-M63 PolarHBondContact O-N 2.76Å; G60-D64 PolarHBondContact O-N 2.98Å
61E98Very high95.9Very high47 Ų4768.9 Ų68.922%0.2238%0.384CS..Hα-helixtrans-60.9-40.4178.7-62.1-71.4-179.800111.3V33 K57 D64 L65V33-E61 WeakPolarHBondContact CG1-OE2 3.32Å; V33-E61 HydrophobicContact CG2-CB 4.37Å; V33-E61 HydrophobicContact CG2-CG 3.95Å; V33-E61 WeakPolarHBondContact CG2-OE2 3.31Å; K57-E61 WeakPolarHBondContact CE-OE1 3.33Å; K57-E61 HydrophobicContact CG-CG 4.07Å; K57-E61 WeakPolarHBondContact O-CG 3.4Å; K57-E61 PolarHBondContact O-N 2.86Å; E61-D64 PolarHBondContact O-N 3.47Å; E61-L65 WeakPolarHBondContact O-CG 3.47Å; E61-L65 PolarHBondContact O-N 3.45Å; E61-L65 VanDerWaalsContact O-N 3.09Å
62T97.1Very high95.4Very high4 Ų470.4 Ų70.43%0.02539%0.391CS..Hα-helixtrans-66-44.6179.2-56.40000112L58 K59 G60 D64 L65 Q66 I77 S79L58-T62 WeakPolarHBondContact O-CB 3.38Å; L58-T62 PolarHBondContact O-N 3Å; L58-T62 PolarHBondContact O-OG1 3.44Å; K59-T62 PolarHBondContact O-N 3.33Å; G60-T62 VanDerWaalsContact C-N 3.3Å; G60-T62 PolarHBondContact O-N 3.03Å; T62-D64 VanDerWaalsContact C-N 3.32Å; T62-D64 PolarHBondContact O-N 3.23Å; T62-L65 PolarHBondContact O-N 3.03Å; T62-Q66 HydrophobicContact CG2-CG 4.41Å; T62-Q66 WeakPolarHBondContact O-CB 3.46Å; T62-Q66 VanDerWaalsContact O-CG 3.24Å; T62-Q66 WeakPolarHBondContact O-CG 3.46Å; T62-Q66 PolarHBondContact O-N 2.86Å; T62-I77 HydrophobicContact CG2-CG2 4.27Å; T62-S79 WeakPolarHBondContact OG1-CB 3.32Å; T62-S79 PolarHBondContact OG1-OG 3.22Å; T62-S79 VanDerWaalsContact OG1-OG 3.08Å
63M97.5Very high94.7Very high81 Ų8178 Ų7840%0.39942%0.423SS..Hα-helixtrans-62.8-40.4177.2-74.2176.960.400111.6K59 G60 Q66 H67K59-M63 HydrophobicContact CG-CG 4.44Å; K59-M63 HydrophobicContact CG-SD 4Å; K59-M63 WeakPolarHBondContact O-CB 3.32Å; K59-M63 VanDerWaalsContact O-CG 3.29Å; K59-M63 WeakPolarHBondContact O-CG 3.23Å; K59-M63 PolarHBondContact O-N 2.91Å; G60-M63 PolarHBondContact O-N 2.76Å; M63-Q66 PolarHBondContact O-N 3.45Å; M63-H67 PolarHBondContact O-CD2 3.02Å; M63-H67 PolarHBondContact O-N 3.42Å
64D97.1Very high94Very high111 Ų11174.7 Ų74.759%0.59439%0.394SS*.Hα-helixtrans-62.6-45.6178.5-162.519.7000111.2G60 E61 T62 Q66 H67 G68G60-D64 PolarHBondContact O-N 2.98Å; E61-D64 PolarHBondContact O-N 3.47Å; T62-D64 VanDerWaalsContact C-N 3.32Å; T62-D64 PolarHBondContact O-N 3.23Å; D64-Q66 PolarHBondContact O-N 3.27Å; D64-H67 PolarHBondContact O-N 3.44Å; D64-G68 PolarHBondContact O-N 3.12Å
65L95.6Very high92.9Very high10 Ų1075.6 Ų75.65%0.05241%0.405CS..Hα-helixtrans-61.5-43173-65.4179.4000112.3A36 I37 L40 L48 L50 E61 T62 H67 G68 M72 I77A36-L65 HydrophobicContact CB-CD1 4.03Å; I37-L65 HydrophobicContact CD1-CD2 3.22Å; I37-L65 HydrophobicContact CG1-CD2 3.91Å; L40-L65 HydrophobicContact CD1-CD1 4.19Å; L40-L65 HydrophobicContact CD1-CD2 3.78Å; L40-L65 HydrophobicContact CD1-CG 4.4Å; L48-L65 HydrophobicContact CD2-CD1 4.44Å; L50-L65 HydrophobicContact CD1-CD1 3.91Å; E61-L65 WeakPolarHBondContact O-CG 3.47Å; E61-L65 PolarHBondContact O-N 3.45Å; E61-L65 VanDerWaalsContact O-N 3.09Å; T62-L65 PolarHBondContact O-N 3.03Å; L65-H67 VanDerWaalsContact C-N 3.33Å; L65-H67 PolarHBondContact O-N 3.26Å; L65-G68 WeakPolarHBondContact O-CA 3.19Å; L65-G68 PolarHBondContact O-N 2.89Å; L65-M72 WeakPolarHBondContact O-CE 3.36Å; L65-I77 HydrophobicContact CB-CD1 3.83Å; L65-I77 HydrophobicContact CB-CG2 4.46Å; L65-I77 HydrophobicContact CD1-CG2 4.47Å
66Q95.7Very high92.6Very high82 Ų8272.6 Ų72.638%0.38339%0.392SS..Hα-helixtrans-63.2-36.8178.5-75.7172.4-15.600112.4T62 M63 D64 G68 S69 I77T62-Q66 HydrophobicContact CG2-CG 4.41Å; T62-Q66 WeakPolarHBondContact O-CB 3.46Å; T62-Q66 VanDerWaalsContact O-CG 3.24Å; T62-Q66 WeakPolarHBondContact O-CG 3.46Å; T62-Q66 PolarHBondContact O-N 2.86Å; M63-Q66 PolarHBondContact O-N 3.45Å; D64-Q66 PolarHBondContact O-N 3.27Å; Q66-G68 PolarHBondContact O-N 2.9Å; Q66-S69 VanDerWaalsContact O-CB 3.23Å; Q66-S69 WeakPolarHBondContact O-CB 3.32Å; Q66-S69 PolarHBondContact O-N 3.08Å; Q66-S69 PolarHBondContact O-OG 2.8Å; Q66-I77 HydrophobicContact CG-CB 4.18Å; Q66-I77 PolarHBondContact NE2-O 3.23Å
67H95.5Very high92.5Very high131 Ų13170.1 Ų70.161%0.60637%0.365SS*.Hα-helixtrans-63.3-26.5174.1-65.8168.5000112.3M63 D64 L65 S69M63-H67 PolarHBondContact O-CD2 3.02Å; M63-H67 PolarHBondContact O-N 3.42Å; D64-H67 PolarHBondContact O-N 3.44Å; L65-H67 VanDerWaalsContact C-N 3.33Å; L65-H67 PolarHBondContact O-N 3.26Å; H67-S69 VanDerWaalsContact C-N 3.3Å; H67-S69 PolarHBondContact O-N 2.73Å
68G93.3Very high92.5Very high19 Ų1968.3 Ų68.320%0.19636%0.36CS..THydrogen-bonded Turntrans-77.7-5.3172.700000115.2D64 L65 Q66 P70 F71D64-G68 PolarHBondContact O-N 3.12Å; L65-G68 WeakPolarHBondContact O-CA 3.19Å; L65-G68 PolarHBondContact O-N 2.89Å; Q66-G68 PolarHBondContact O-N 2.9Å; G68-P70 VanDerWaalsContact C-N 3.32Å; G68-P70 VanDerWaalsContact O-N 3.15Å; G68-F71 PolarHBondContact O-N 3.44Å
69S90.9Very high92.5Very high46 Ų4670 Ų7032%0.32237%0.373SS..G310 helixtrans-51.7-38.2-172.4-60.10000115Q66 H67 F71 M72Q66-S69 VanDerWaalsContact O-CB 3.23Å; Q66-S69 WeakPolarHBondContact O-CB 3.32Å; Q66-S69 PolarHBondContact O-N 3.08Å; Q66-S69 PolarHBondContact O-OG 2.8Å; H67-S69 VanDerWaalsContact C-N 3.3Å; H67-S69 PolarHBondContact O-N 2.73Å; S69-F71 PolarHBondContact O-N 2.79Å; S69-F71 VanDerWaalsContact O-N 3.08Å; S69-M72 PolarHBondContact O-N 2.87Å; S69-M72 VanDerWaalsContact O-N 3.09Å
70P92.4Very high92.5Very high109 Ų10965.6 Ų65.671%0.70836%0.359SS*.G310 helixtrans-60-20177.1-25.636.4000114.9G68G68-P70 VanDerWaalsContact C-N 3.32Å; G68-P70 VanDerWaalsContact O-N 3.15Å
71F91.9Very high92.4Very high177 Ų17768.8 Ų68.878%0.77636%0.362SS*.G310 helixtrans-99.72.6-178.6-48.7-64.4000113.1G68 S69G68-F71 PolarHBondContact O-N 3.44Å; S69-F71 PolarHBondContact O-N 2.79Å; S69-F71 VanDerWaalsContact O-N 3.08Å
72M87.8Confident92.4Very high35 Ų3570.6 Ų70.617%0.17237%0.373CS..SBendtrans-127.5154.7-172-57.2-172.3-65.300110.6L40 L65 S69 I77L40-M72 HydrophobicContact CB-SD 3.74Å; L40-M72 HydrophobicContact CD1-CE 4.19Å; L40-M72 HydrophobicContact CD1-SD 3.86Å; L40-M72 HydrophobicContact CD2-CB 4.49Å; L40-M72 HydrophobicContact CD2-CE 3.82Å; L40-M72 HydrophobicContact CD2-SD 3.61Å; L40-M72 HydrophobicContact CG-SD 3.96Å; L65-M72 WeakPolarHBondContact O-CE 3.36Å; S69-M72 PolarHBondContact O-N 2.87Å; S69-M72 VanDerWaalsContact O-N 3.09Å; M72-I77 HydrophobicContact CE-CD1 4.02Å
73K81.7Confident92.5Very high196 Ų19672.2 Ų72.285%0.85238%0.379SS*.SBendtrans-92.40.5-178-62.8-177.3179.8179.30113.6
74M81.9Confident92.4Very high6 Ų673 Ų733%0.0338%0.384CS..  trans-92.5123.8-177.7177139.849.500110.3L40 S45 L48L40-M74 HydrophobicContact CB-CE 4.41Å; L40-M74 HydrophobicContact CD2-CB 3.9Å; L40-M74 HydrophobicContact CD2-CE 3.09Å; L40-M74 HydrophobicContact CD2-CG 4.35Å; L40-M74 HydrophobicContact CD2-SD 4.5Å; L40-M74 HydrophobicContact CG-CE 3.53Å; S45-M74 VanDerWaalsContact C-SD 3.6Å; S45-M74 VanDerWaalsContact CB-SD 3.57Å; S45-M74 VanDerWaalsContact O-SD 3.34Å; L48-M74 HydrophobicContact CB-CE 3.51Å; L48-M74 HydrophobicContact CB-SD 3.74Å; L48-M74 HydrophobicContact CD2-CE 4.15Å; L48-M74 HydrophobicContact CG-CE 4.37Å
75P73.1Confident92.4Very high105 Ų10569.3 Ų69.368%0.68237%0.366SS*.  trans-79-23-173.530.1-35.3000114D46D46-P75 VanDerWaalsContact O-CD 3.26Å; D46-P75 WeakPolarHBondContact O-CD 3.45Å; D46-P75 VanDerWaalsContact O-CG 3.24Å; D46-P75 WeakPolarHBondContact O-CG 3.24Å
76N89.1Confident92.5Very high53 Ų5368.9 Ų68.928%0.28336%0.363SS..EExtended strand (participates in β ladder)trans-138.8128.1-172.9-164.225.6000113.2E47 L48 V78E47-N76 WeakPolarHBondContact CA-O 3.16Å; E47-N76 HydrophobicContact CG-CB 4.27Å; E47-N76 PolarHBondContact OE1-ND2 3.38Å; E47-N76 VanDerWaalsContact OE1-ND2 3.16Å; L48-N76 PolarHBondContact N-O 2.77Å; N76-V78 WeakPolarHBondContact OD1-CG1 3.46Å
77I94.9Very high92.6Very high6 Ų666.1 Ų66.13%0.03136%0.355CS..EExtended strand (participates in β ladder)trans-129.2119.9171.1-51.5177.7000107.4L40 L48 T62 L65 Q66 M72L40-I77 HydrophobicContact CD1-CD1 4.18Å; L40-I77 HydrophobicContact CD2-CD1 3.75Å; L40-I77 HydrophobicContact CD2-CG1 4.39Å; L48-I77 HydrophobicContact CB-CG2 4.5Å; L48-I77 HydrophobicContact CD2-CG2 4.43Å; L48-I77 WeakPolarHBondContact O-CA 3.25Å; T62-I77 HydrophobicContact CG2-CG2 4.27Å; L65-I77 HydrophobicContact CB-CD1 3.83Å; L65-I77 HydrophobicContact CB-CG2 4.46Å; L65-I77 HydrophobicContact CD1-CG2 4.47Å; Q66-I77 HydrophobicContact CG-CB 4.18Å; Q66-I77 PolarHBondContact NE2-O 3.23Å; M72-I77 HydrophobicContact CE-CD1 4.02Å
78V95.6Very high92.6Very high37 Ų3766.1 Ų66.122%0.22436%0.359CS..EExtended strand (participates in β ladder)trans-129.9158.3-178.3-62.40000110.9L48 V49 L50 N76 V85L48-V78 PolarHBondContact O-N 3.31Å; V49-V78 CarbonylContact C-O 3.56Å; V49-V78 VanDerWaalsContact CA-O 3.32Å; V49-V78 WeakPolarHBondContact CA-O 3.47Å; V49-V78 HydrophobicContact CB-CG2 4.37Å; V49-V78 HydrophobicContact CG2-CG2 3.72Å; L50-V78 PolarHBondContact N-O 3Å; N76-V78 WeakPolarHBondContact OD1-CG1 3.46Å; V78-V85 HydrophobicContact CB-CG2 4.22Å; V78-V85 HydrophobicContact CG2-CG2 3.56Å
79S97.5Very high92.9Very high40 Ų4065.4 Ų65.428%0.2835%0.351SS..EExtended strand (participates in β ladder)trans-146.6143.3178.167.20000112.2L50 T62L50-S79 WeakPolarHBondContact O-CA 3.17Å; T62-S79 WeakPolarHBondContact OG1-CB 3.32Å; T62-S79 PolarHBondContact OG1-OG 3.22Å; T62-S79 VanDerWaalsContact OG1-OG 3.08Å
80S97.6Very high93.2Very high43 Ų4365.3 Ų65.330%0.30135%0.347SS..  trans-154.9154.6170.8-173.20000110.2L50 V51 D82L50-S80 PolarHBondContact O-N 2.96Å; L50-S80 VanDerWaalsContact O-N 3.12Å; V51-S80 WeakPolarHBondContact CA-O 3.42Å; S80-D82 VanDerWaalsContact C-N 3.31Å; S80-D82 PolarHBondContact OG-N 3.19Å; S80-D82 VanDerWaalsContact OG-N 3.08Å
81K97.2Very high93.5Very high106 Ų10660.1 Ų60.146%0.46131%0.313SS..SBendtrans-73.3-28.5165.9-178.5177.5179.81800111.9E55E55-K81 HydrophobicContact CG-CB 4.19Å; E55-K81 HydrophobicContact CG-CD 3.93Å; E55-K81 WeakPolarHBondContact OE1-CD 3.33Å; E55-K81 IonicContact OE1-NZ 2.79Å; E55-K81 PolarHBondContact OE1-NZ 3.2Å
82D97.3Very high93.8Very high85 Ų8551.7 Ų51.746%0.45528%0.276SS..SBendtrans-78.6125.6176.8-171.8-21.8000110.1S80 L84 V85S80-D82 VanDerWaalsContact C-N 3.31Å; S80-D82 PolarHBondContact OG-N 3.19Å; S80-D82 VanDerWaalsContact OG-N 3.08Å; D82-L84 PolarHBondContact O-N 2.99Å; D82-L84 VanDerWaalsContact O-N 3.12Å; D82-L84 WeakPolarHBondContact OD1-CB 3.5Å; D82-L84 PolarHBondContact OD1-N 3.26Å; D82-V85 WeakPolarHBondContact O-CG1 3.47Å; D82-V85 PolarHBondContact O-N 3.12Å
83Y97.9Very high94.3Very high38 Ų3850 Ų5015%0.14927%0.268CS..G310 helixtrans-64.2-12.1179.3-75.3-95.3000114.1V26 V51 V85 T86 M120 N123 I124 Y127V26-Y83 HydrophobicContact CG1-CE1 4.15Å; V26-Y83 WeakPolarHBondContact CG1-OH 3.37Å; V26-Y83 HydrophobicContact CG2-CE1 4.11Å; V51-Y83 HydrophobicContact CG1-CD1 4.36Å; V51-Y83 HydrophobicContact CG1-CD2 4.48Å; V51-Y83 HydrophobicContact CG1-CE1 4.03Å; V51-Y83 HydrophobicContact CG1-CE2 4.16Å; Y83-V85 PolarHBondContact O-N 3.37Å; Y83-V85 VanDerWaalsContact O-N 3.13Å; Y83-T86 HydrophobicContact CD1-CG2 4.23Å; Y83-T86 VanDerWaalsContact O-CB 3.3Å; Y83-T86 WeakPolarHBondContact O-CB 3.42Å; Y83-T86 WeakPolarHBondContact O-CG2 3.49Å; Y83-T86 PolarHBondContact O-N 3.43Å; Y83-T86 PolarHBondContact O-OG1 3.28Å; Y83-M120 HydrophobicContact CE1-CG 4.1Å; Y83-M120 VanDerWaalsContact OH-CG 3.28Å; Y83-M120 WeakPolarHBondContact OH-CG 3.45Å; Y83-N123 HydrophobicContact CD1-CB 4.15Å; Y83-N123 HydrophobicContact CD2-CB 3.78Å; Y83-N123 HydrophobicContact CE2-CB 4.38Å; Y83-N123 HydrophobicContact CG-CB 3.66Å; Y83-I124 HydrophobicContact CD1-CG1 3.63Å; Y83-I124 HydrophobicContact CE1-CD1 4.04Å; Y83-I124 HydrophobicContact CE1-CG1 3.53Å; Y83-Y127 VanDerWaalsContact C-CD2 3.46Å; Y83-Y127 WeakPolarHBondContact O-CD2 3.45Å
84L97.4Very high95.2Very high98 Ų9840.7 Ų40.751%0.51323%0.228SC..G310 helixtrans-52-34.8173179.564.5000112.2D82 T86 A87 Y127D82-L84 PolarHBondContact O-N 2.99Å; D82-L84 VanDerWaalsContact O-N 3.12Å; D82-L84 WeakPolarHBondContact OD1-CB 3.5Å; D82-L84 PolarHBondContact OD1-N 3.26Å; L84-T86 PolarHBondContact O-N 3.07Å; L84-T86 VanDerWaalsContact O-N 3.15Å; L84-A87 VanDerWaalsContact O-CB 3.26Å; L84-A87 WeakPolarHBondContact O-CB 3.46Å; L84-A87 PolarHBondContact O-N 3.45Å; L84-Y127 HydrophobicContact CB-CE1 4.21Å; L84-Y127 HydrophobicContact CB-CE2 4.49Å; L84-Y127 HydrophobicContact CD1-CD1 3.83Å; L84-Y127 HydrophobicContact CD1-CE1 3.49Å; L84-Y127 VanDerWaalsContact CD1-CE1 3.49Å; L84-Y127 HydrophobicContact CG-CE1 4.47Å
85V96.8Very high95.9Very high34 Ų3441.6 Ų41.621%0.20623%0.233CC..G310 helixtrans-61.6-24.3177.872.40000112.7K22 V49 V51 V78 D82 Y83 A87K22-V85 WeakPolarHBondContact CE-O 3.42Å; K22-V85 PolarHBondContact NZ-O 3.27Å; V49-V85 HydrophobicContact CG1-CB 4.19Å; V49-V85 HydrophobicContact CG1-CG1 3.42Å; V49-V85 VanDerWaalsContact CG1-CG1 3.42Å; V49-V85 HydrophobicContact CG1-CG2 3.91Å; V51-V85 HydrophobicContact CG2-CG1 3.96Å; V78-V85 HydrophobicContact CB-CG2 4.22Å; V78-V85 HydrophobicContact CG2-CG2 3.56Å; D82-V85 WeakPolarHBondContact O-CG1 3.47Å; D82-V85 PolarHBondContact O-N 3.12Å; Y83-V85 PolarHBondContact O-N 3.37Å; Y83-V85 VanDerWaalsContact O-N 3.13Å; V85-A87 PolarHBondContact O-N 2.89Å
86T97.5Very high97.1Very high0 Ų037.7 Ų37.70%021%0.21CC..G310 helixtrans-77.1-5.3179.373.40000113.2S24 V49 V51 Y83 L84 N88 S89 S128S24-T86 WeakPolarHBondContact OG-CA 3.42Å; S24-T86 VanDerWaalsContact OG-CB 3.32Å; S24-T86 WeakPolarHBondContact OG-CB 3.29Å; V49-T86 HydrophobicContact CG1-CG2 4.1Å; V51-T86 HydrophobicContact CG2-CG2 3.48Å; V51-T86 VanDerWaalsContact CG2-CG2 3.48Å; Y83-T86 HydrophobicContact CD1-CG2 4.23Å; Y83-T86 VanDerWaalsContact O-CB 3.3Å; Y83-T86 WeakPolarHBondContact O-CB 3.42Å; Y83-T86 WeakPolarHBondContact O-CG2 3.49Å; Y83-T86 PolarHBondContact O-N 3.43Å; Y83-T86 PolarHBondContact O-OG1 3.28Å; L84-T86 PolarHBondContact O-N 3.07Å; L84-T86 VanDerWaalsContact O-N 3.15Å; T86-N88 PolarHBondContact O-N 2.87Å; T86-S89 WeakPolarHBondContact O-CB 3.49Å; T86-S89 PolarHBondContact O-N 3.04Å; T86-S89 PolarHBondContact O-OG 3.45Å; T86-S128 PolarHBondContact O-OG 3.38Å
87A97.1Very high97.2Very high24 Ų2436.9 Ų36.920%0.19822%0.215CC..THydrogen-bonded Turntrans-51.4136.3-173.700000112.9K22 L84 V85 S89 Y127K22-A87 VanDerWaalsContact CD-O 3.28Å; K22-A87 WeakPolarHBondContact CD-O 3.24Å; K22-A87 VanDerWaalsContact CE-O 3.26Å; K22-A87 WeakPolarHBondContact CE-O 3.08Å; K22-A87 PolarHBondContact NZ-O 2.75Å; L84-A87 VanDerWaalsContact O-CB 3.26Å; L84-A87 WeakPolarHBondContact O-CB 3.46Å; L84-A87 PolarHBondContact O-N 3.45Å; V85-A87 PolarHBondContact O-N 2.89Å; A87-S89 VanDerWaalsContact C-N 3.34Å; A87-S89 PolarHBondContact O-N 2.88Å; A87-Y127 VanDerWaalsContact CA-O 3.29Å; A87-Y127 WeakPolarHBondContact CA-O 3.46Å
88N96.4Very high97Very high131 Ų13137.5 Ų37.570%0.70122%0.221SC*.THydrogen-bonded Turntrans62.829.3-179.4-52.1-50.7000115.2T86 Y127 S128T86-N88 PolarHBondContact O-N 2.87Å; N88-Y127 PolarHBondContact N-O 3.3Å; N88-Y127 VanDerWaalsContact N-O 3.08Å; N88-S128 PolarHBondContact N-OG 2.84Å
89S97.9Very high96.3Very high4 Ų443.9 Ų43.93%0.02824%0.241CC..  trans-66.1137.6173.2-64.40000111.4S24 T86 A87 S128 C131S24-S89 PolarHBondContact OG-OG 3.01Å; T86-S89 WeakPolarHBondContact O-CB 3.49Å; T86-S89 PolarHBondContact O-N 3.04Å; T86-S89 PolarHBondContact O-OG 3.45Å; A87-S89 VanDerWaalsContact C-N 3.34Å; A87-S89 PolarHBondContact O-N 2.88Å; S89-S128 WeakPolarHBondContact CB-OG 3.49Å; S89-S128 PolarHBondContact N-OG 3.34Å; S89-C131 WeakPolarHBondContact O-CB 3.29Å
90N97.9Very high95.5Very high45 Ų4547.8 Ų47.824%0.24125%0.254CS..SBendtrans-76.6-35.9170.4-58.580.2000110.7H20 N21 K22 C131 K132 L264H20-N90 VanDerWaalsContact O-CG 3.29Å; H20-N90 PolarHBondContact O-ND2 3.03Å; H20-N90 PolarHBondContact O-OD1 3.48Å; H20-N90 VanDerWaalsContact O-OD1 3.09Å; N21-N90 WeakPolarHBondContact CA-OD1 3.26Å; K22-N90 PolarHBondContact N-OD1 2.73Å; K22-N90 PolarHBondContact O-N 3.37Å; N90-C131 WeakPolarHBondContact O-CA 3.26Å; N90-K132 WeakPolarHBondContact O-CE 3.37Å; N90-K132 PolarHBondContact O-N 3.19Å; N90-K132 PolarHBondContact O-NZ 2.91Å; N90-L264 HydrophobicContact CB-CD2 3.95Å
91L98.7Very high94.9Very high0 Ų052 Ų520%027%0.267CS..EExtended strand (participates in β ladder)trans-137.4133.5179.2-178.568.9000110.1K22 I23 S24 I93 K132 L134 T260 I263 L264K22-L91 PolarHBondContact O-N 2.83Å; I23-L91 WeakPolarHBondContact CA-O 3.12Å; I23-L91 HydrophobicContact CG1-CB 4.5Å; S24-L91 PolarHBondContact N-O 2.82Å; L91-I93 HydrophobicContact CD2-CD1 4.04Å; L91-I93 HydrophobicContact CD2-CG1 3.95Å; L91-I93 HydrophobicContact CG-CG1 4.03Å; L91-K132 WeakPolarHBondContact CA-O 3.17Å; L91-K132 HydrophobicContact CD1-CB 3.8Å; L91-L134 HydrophobicContact CD1-CB 4.02Å; L91-T260 HydrophobicContact CD2-CG2 3.69Å; L91-T260 WeakPolarHBondContact CD2-OG1 3.47Å; L91-I263 HydrophobicContact CD1-CD1 4.1Å; L91-I263 HydrophobicContact CD1-CG2 4.49Å; L91-L264 HydrophobicContact CB-CD2 4.3Å
92V98.9Very high94.1Very high0 Ų057.5 Ų57.50%029%0.291CS..EExtended strand (participates in β ladder)trans-117.9120.1171.7-175.40000109.2S24 V26 I94 I124 C131 K132 L133 L134S24-V92 CarbonylContact O-C 3.54Å; S24-V92 WeakPolarHBondContact O-CA 3.24Å; V26-V92 HydrophobicContact CG2-CG1 3.96Å; V92-I94 HydrophobicContact CG1-CG1 4.41Å; V92-I124 HydrophobicContact CB-CG2 4.02Å; V92-I124 HydrophobicContact CG1-CD1 4.01Å; V92-I124 HydrophobicContact CG1-CG1 4.36Å; V92-I124 HydrophobicContact CG1-CG2 3.82Å; V92-I124 HydrophobicContact CG2-CG2 3.83Å; V92-C131 HydrophobicContact CG2-CB 4.02Å; V92-K132 PolarHBondContact N-O 3.47Å; V92-L133 HydrophobicContact CB-CD2 4Å; V92-L133 WeakPolarHBondContact O-CA 3.43Å; V92-L134 PolarHBondContact O-N 3.18Å
93I98.9Very high93.4Very high0 Ų057.4 Ų57.40%031%0.31CS..EExtended strand (participates in β ladder)trans-103.1120.6-177.2-53.5175.4000108.3I23 S24 I25 V26 I39 L91 T95 L134 V136 V256I23-I93 HydrophobicContact CG2-CD1 3.91Å; I23-I93 HydrophobicContact CG2-CG1 4.29Å; S24-I93 PolarHBondContact O-N 3.44Å; I25-I93 WeakPolarHBondContact CA-O 3.47Å; I25-I93 HydrophobicContact CG1-CB 4.3Å; I25-I93 HydrophobicContact CG1-CD1 4.35Å; V26-I93 PolarHBondContact N-O 2.82Å; I39-I93 HydrophobicContact CD1-CD1 3.5Å; L91-I93 HydrophobicContact CD2-CD1 4.04Å; L91-I93 HydrophobicContact CD2-CG1 3.95Å; L91-I93 HydrophobicContact CG-CG1 4.03Å; I93-T95 HydrophobicContact CG2-CG2 4.04Å; I93-L134 CarbonylContact C-O 3.55Å; I93-L134 WeakPolarHBondContact CA-O 3.35Å; I93-L134 HydrophobicContact CG1-CB 4.32Å; I93-L134 HydrophobicContact CG1-CD2 4.34Å; I93-V136 HydrophobicContact CG2-CG2 3.78Å; I93-V256 HydrophobicContact CD1-CG1 3.9Å; I93-V256 HydrophobicContact CG2-CG1 3.99Å
94I98.9Very high93Very high0 Ų056.9 Ų56.90%031%0.309CS..EExtended strand (participates in β ladder)trans-105.3108-175.1-58.8-175.2000109.1V92 F117 M120 I121 I124 L134 I135 V136 T137V92-I94 HydrophobicContact CG1-CG1 4.41Å; I94-F117 HydrophobicContact CG2-CE1 4.46Å; I94-F117 HydrophobicContact CG2-CE2 4.05Å; I94-F117 HydrophobicContact CG2-CZ 3.72Å; I94-M120 HydrophobicContact CD1-CE 4.24Å; I94-M120 HydrophobicContact CD1-SD 4.41Å; I94-M120 HydrophobicContact CG2-CE 3.39Å; I94-M120 HydrophobicContact CG2-SD 3.78Å; I94-I121 HydrophobicContact CD1-CD1 3.35Å; I94-I124 HydrophobicContact CD1-CD1 3.72Å; I94-I124 HydrophobicContact CG1-CD1 4.23Å; I94-L134 PolarHBondContact N-O 3.48Å; I94-I135 HydrophobicContact CB-CD1 4.07Å; I94-I135 HydrophobicContact CD1-CD1 3.67Å; I94-I135 HydrophobicContact CG1-CD1 4.12Å; I94-V136 WeakPolarHBondContact O-CA 3.45Å; I94-V136 WeakPolarHBondContact O-CB 3.13Å; I94-V136 PolarHBondContact O-N 3.09Å; I94-T137 PolarHBondContact O-N 3.38Å; I94-T137 VanDerWaalsContact O-N 3.13Å; I94-T137 PolarHBondContact O-OG1 3.2Å
95T98.4Very high92.5Very high24 Ų2455.7 Ų55.715%0.14731%0.306CS..  trans-114.3-9.2176.474.50000112.4I25 V26 G27 V31 G32 I93 V136 T137I25-T95 HydrophobicContact CG2-CG2 4.3Å; V26-T95 CarbonylContact O-C 3.31Å; V26-T95 PolarHBondContact O-N 3.26Å; V26-T95 PolarHBondContact O-OG1 3.36Å; V26-T95 VanDerWaalsContact O-OG1 3.08Å; G27-T95 PolarHBondContact O-OG1 3.44Å; G27-T95 VanDerWaalsContact O-OG1 3.08Å; V31-T95 HydrophobicContact CG1-CG2 3.97Å; G32-T95 WeakPolarHBondContact CA-OG1 3.43Å; I93-T95 HydrophobicContact CG2-CG2 4.04Å; T95-V136 HydrophobicContact CG2-CB 4.13Å; T95-V136 HydrophobicContact CG2-CG2 4.3Å; T95-T137 VanDerWaalsContact C-OG1 3.27Å
96A96.6Very high92Very high23 Ų2358.2 Ų58.219%0.1931%0.311CS..  trans-69132.7177.700000111.4V26 M120 T137V26-A96 HydrophobicContact CG1-CB 4.14Å; V26-A96 PolarHBondContact O-N 3Å; A96-M120 HydrophobicContact CB-SD 4.32Å; A96-T137 PolarHBondContact N-OG1 2.85Å; A96-T137 WeakPolarHBondContact O-CB 3.31Å; A96-T137 WeakPolarHBondContact O-CG2 3.06Å; A96-T137 PolarHBondContact O-OG1 2.94Å
97G92.1Very high91.5Very high37 Ų3761.2 Ų61.238%0.38133%0.327SS..  trans-177.7162.7174.900000112.5N113G97-N113 WeakPolarHBondContact CA-OD1 3.3Å
98A89.7Confident91.2Very high19 Ų1964 Ų6416%0.15734%0.339CS..PPolyproline II helixtrans-63.3139.1167.900000110.8L109 R112 N113 I116A98-L109 HydrophobicContact CB-CD1 4.05Å; A98-R112 HydrophobicContact CB-CB 4.29Å; A98-R112 VanDerWaalsContact CB-NH2 3.3Å; A98-N113 WeakPolarHBondContact CB-OD1 3.45Å; A98-N113 PolarHBondContact N-OD1 2.67Å; A98-I116 HydrophobicContact CB-CD1 4.13Å
99R82.4Confident91Very high171 Ų17158.7 Ų58.765%0.64531%0.31SS*.PPolyproline II helixtrans-82.1146.2162.4-63.2-176.6-178-173-0.4109.6K101 R112R99-K101 PolarHBondContact O-N 3.17Å; R99-R112 PolarHBondContact O-NH1 3.09Å
100Q79.4Confident90.7Very high121 Ų12158.5 Ų58.557%0.56531%0.309SS*.PPolyproline II helixtrans-61.6130.2172.5-161.9173.88.500110E104 L109Q100-E104 WeakPolarHBondContact CA-OE2 3.39Å; Q100-E104 HydrophobicContact CG-CB 4.18Å; Q100-E104 PolarHBondContact NE2-O 3.4Å; Q100-L109 HydrophobicContact CB-CD1 4.43Å; Q100-L109 HydrophobicContact CB-CD2 3.85Å; Q100-L109 HydrophobicContact CG-CD2 4.08Å
101K84.6Confident90.6Very high133 Ų13358.7 Ų58.758%0.57831%0.308SS*.PPolyproline II helixtrans-85.6154.4172.2-65.7174.6-179.7177.90109.9R99 G103 E104R99-K101 PolarHBondContact O-N 3.17Å; K101-G103 PolarHBondContact O-N 2.83Å; K101-E104 HydrophobicContact CB-CB 4.07Å; K101-E104 PolarHBondContact N-OE2 3.21Å; K101-E104 VanDerWaalsContact O-CB 3.23Å; K101-E104 WeakPolarHBondContact O-CB 3.35Å; K101-E104 PolarHBondContact O-N 3.04Å
102K80.6Confident90.4Very high221 Ų22162.4 Ų62.496%0.96132%0.323SS*.THydrogen-bonded Turntrans-59.7123.7175.7-172.7178.8179.7-178.20109.6E104K102-E104 VanDerWaalsContact C-N 3.32Å
103G84.1Confident90.3Very high82 Ų8262.4 Ų62.485%0.84532%0.323SS*.THydrogen-bonded Turntrans81.81.8-178.100000115.3K101K101-G103 PolarHBondContact O-N 2.83Å
104E88.4Confident90.1Very high27 Ų2762.4 Ų62.413%0.12632%0.323CS..  trans-76.5132.9176.1-176.3172.1-131.400111.1Q100 K101 K102 D108 L109 R112Q100-E104 WeakPolarHBondContact CA-OE2 3.39Å; Q100-E104 HydrophobicContact CG-CB 4.18Å; Q100-E104 PolarHBondContact NE2-O 3.4Å; K101-E104 HydrophobicContact CB-CB 4.07Å; K101-E104 PolarHBondContact N-OE2 3.21Å; K101-E104 VanDerWaalsContact O-CB 3.23Å; K101-E104 WeakPolarHBondContact O-CB 3.35Å; K101-E104 PolarHBondContact O-N 3.04Å; K102-E104 VanDerWaalsContact C-N 3.32Å; E104-D108 HydrophobicContact CG-CB 3.72Å; E104-L109 HydrophobicContact CG-CB 4.43Å; E104-R112 WeakPolarHBondContact OE1-CD 3.26Å; E104-R112 IonicContact OE1-CZ 2.82Å; E104-R112 IonicContact OE1-NE 3.38Å; E104-R112 IonicContact OE1-NH1 3.09Å; E104-R112 PolarHBondContact OE1-NH1 2.84Å; E104-R112 IonicContact OE2-NH1 3.73Å; E104-R112 PolarHBondContact OE2-NH1 2.98Å
105T87.3Confident90Very high73 Ų7365.2 Ų65.245%0.44834%0.342SS..  trans-70.6159.1176.675.30000111L107 D108 L109T105-L107 VanDerWaalsContact C-N 3.27Å; T105-L107 PolarHBondContact O-N 3.42Å; T105-D108 WeakPolarHBondContact CB-OD2 3.46Å; T105-D108 PolarHBondContact O-N 3.08Å; T105-D108 PolarHBondContact OG1-N 3.42Å; T105-D108 VanDerWaalsContact OG1-N 3.13Å; T105-D108 PolarHBondContact OG1-OD2 2.94Å; T105-L109 PolarHBondContact O-N 3.05Å
106R85.3Confident89.9Confident87 Ų8767 Ų6733%0.32835%0.35SS..Hα-helixtrans-60-40175.7-173.3171.7174.8172.5-0.2111.6L109 V110 E192 I326R106-L109 PolarHBondContact O-N 3.47Å; R106-V110 VanDerWaalsContact O-CG2 3.25Å; R106-V110 WeakPolarHBondContact O-CG2 3.4Å; R106-V110 PolarHBondContact O-N 3.12Å; R106-V110 VanDerWaalsContact O-N 3.08Å; R106-E192 IonicContact CZ-OE1 3.13Å; R106-E192 IonicContact NH1-OE1 2.76Å; R106-E192 PolarHBondContact NH1-OE1 2.87Å; R106-E192 IonicContact NH2-OE1 2.61Å; R106-E192 PolarHBondContact NH2-OE1 3.1Å; R106-I326 HydrophobicContact CG-CD1 4.16Å
107L88.3Confident90Very high64 Ų6465.9 Ų65.934%0.33534%0.341SS..Hα-helixtrans-64.8-42.8178.7-177.262.4000112T105 L109 V110 Q111 I326 E329 L330T105-L107 VanDerWaalsContact C-N 3.27Å; T105-L107 PolarHBondContact O-N 3.42Å; L107-L109 PolarHBondContact O-N 2.77Å; L107-V110 PolarHBondContact O-N 2.97Å; L107-Q111 PolarHBondContact O-N 3.37Å; L107-I326 HydrophobicContact CD1-CG2 4.02Å; L107-E329 HydrophobicContact CD1-CB 3.98Å; L107-E329 HydrophobicContact CD2-CB 4.18Å; L107-L330 HydrophobicContact CD1-CD2 4.4Å
108D90.9Very high90.2Very high81 Ų8167.1 Ų67.143%0.43334%0.336SS..Hα-helixtrans-62.4-43.5178.3-65.5-40.2000112.1E104 T105 V110 Q111 R112E104-D108 HydrophobicContact CG-CB 3.72Å; T105-D108 WeakPolarHBondContact CB-OD2 3.46Å; T105-D108 PolarHBondContact O-N 3.08Å; T105-D108 PolarHBondContact OG1-N 3.42Å; T105-D108 VanDerWaalsContact OG1-N 3.13Å; T105-D108 PolarHBondContact OG1-OD2 2.94Å; D108-V110 VanDerWaalsContact C-N 3.33Å; D108-V110 PolarHBondContact O-N 3.42Å; D108-Q111 PolarHBondContact O-N 3.29Å; D108-R112 WeakPolarHBondContact O-CG 3.32Å; D108-R112 PolarHBondContact O-N 2.9Å
109L91.3Very high90.5Very high21 Ų2172.4 Ų72.411%0.1136%0.361CS..Hα-helixtrans-58.9-46.4174.7174.862.4000111A98 Q100 E104 T105 R106 L107 R112 N113A98-L109 HydrophobicContact CB-CD1 4.05Å; Q100-L109 HydrophobicContact CB-CD1 4.43Å; Q100-L109 HydrophobicContact CB-CD2 3.85Å; Q100-L109 HydrophobicContact CG-CD2 4.08Å; E104-L109 HydrophobicContact CG-CB 4.43Å; T105-L109 PolarHBondContact O-N 3.05Å; R106-L109 PolarHBondContact O-N 3.47Å; L107-L109 PolarHBondContact O-N 2.77Å; L109-R112 PolarHBondContact O-N 3.04Å; L109-N113 PolarHBondContact O-N 3Å
110V93.2Very high91.2Very high0 Ų064.5 Ų64.50%033%0.331CS..Hα-helixtrans-61.3-46.41781770000110.5R106 L107 D108 R112 N113 V114 P139 I142 I326 L330R106-V110 VanDerWaalsContact O-CG2 3.25Å; R106-V110 WeakPolarHBondContact O-CG2 3.4Å; R106-V110 PolarHBondContact O-N 3.12Å; R106-V110 VanDerWaalsContact O-N 3.08Å; L107-V110 PolarHBondContact O-N 2.97Å; D108-V110 VanDerWaalsContact C-N 3.33Å; D108-V110 PolarHBondContact O-N 3.42Å; V110-R112 VanDerWaalsContact C-N 3.3Å; V110-R112 PolarHBondContact O-N 3.35Å; V110-N113 CarbonylContact O-C 3.3Å; V110-N113 PolarHBondContact O-N 2.79Å; V110-N113 VanDerWaalsContact O-N 3.08Å; V110-V114 HydrophobicContact CG1-CG2 4.15Å; V110-V114 VanDerWaalsContact O-CG2 3.3Å; V110-V114 WeakPolarHBondContact O-CG2 3.49Å; V110-V114 PolarHBondContact O-N 3.07Å; V110-P139 HydrophobicContact CG2-CG 3.35Å; V110-I142 HydrophobicContact CG1-CG2 3.79Å; V110-I142 HydrophobicContact CG2-CD1 4.39Å; V110-I326 HydrophobicContact CG2-CG2 4.29Å; V110-L330 HydrophobicContact CB-CD2 4.37Å; V110-L330 HydrophobicContact CG1-CD2 3.4Å
111Q94.4Very high92.1Very high48 Ų4858.7 Ų58.722%0.22430%0.304CS..Hα-helixtrans-62.9-36-178.9-171.259.862.100112.3L107 D108 V114 S115 K331L107-Q111 PolarHBondContact O-N 3.37Å; D108-Q111 PolarHBondContact O-N 3.29Å; Q111-V114 WeakPolarHBondContact O-CB 3.37Å; Q111-V114 PolarHBondContact O-N 2.62Å; Q111-S115 PolarHBondContact O-N 3.15Å; Q111-S115 PolarHBondContact O-OG 3.41Å; Q111-K331 PolarHBondContact NE2-O 3.29Å
112R95Very high92.7Very high79 Ų7955 Ų5530%0.29829%0.294SS..Hα-helixtrans-64.5-44172-73.9170.961.5-154.3-9.7111.9A98 R99 E104 D108 L109 V110 V114 S115 I116A98-R112 HydrophobicContact CB-CB 4.29Å; A98-R112 VanDerWaalsContact CB-NH2 3.3Å; R99-R112 PolarHBondContact O-NH1 3.09Å; E104-R112 WeakPolarHBondContact OE1-CD 3.26Å; E104-R112 IonicContact OE1-CZ 2.82Å; E104-R112 IonicContact OE1-NE 3.38Å; E104-R112 IonicContact OE1-NH1 3.09Å; E104-R112 PolarHBondContact OE1-NH1 2.84Å; E104-R112 IonicContact OE2-NH1 3.73Å; E104-R112 PolarHBondContact OE2-NH1 2.98Å; D108-R112 WeakPolarHBondContact O-CG 3.32Å; D108-R112 PolarHBondContact O-N 2.9Å; L109-R112 PolarHBondContact O-N 3.04Å; V110-R112 VanDerWaalsContact C-N 3.3Å; V110-R112 PolarHBondContact O-N 3.35Å; R112-V114 VanDerWaalsContact C-N 3.32Å; R112-S115 WeakPolarHBondContact O-CB 3.42Å; R112-S115 PolarHBondContact O-N 2.82Å; R112-I116 WeakPolarHBondContact O-CG1 3.31Å; R112-I116 PolarHBondContact O-N 3.49Å
113N96.1Very high93.6Very high0 Ų047.3 Ų47.30%026%0.263CS..Hα-helixtrans-65.8-36.3176.4-80.4-27000112.2G97 A98 L109 V110 S115 I116 F117 N138 L143G97-N113 WeakPolarHBondContact CA-OD1 3.3Å; A98-N113 WeakPolarHBondContact CB-OD1 3.45Å; A98-N113 PolarHBondContact N-OD1 2.67Å; L109-N113 PolarHBondContact O-N 3Å; V110-N113 CarbonylContact O-C 3.3Å; V110-N113 PolarHBondContact O-N 2.79Å; V110-N113 VanDerWaalsContact O-N 3.08Å; N113-S115 VanDerWaalsContact C-N 3.35Å; N113-S115 PolarHBondContact O-N 3.34Å; N113-I116 PolarHBondContact O-N 2.68Å; N113-F117 WeakPolarHBondContact O-CB 3.44Å; N113-F117 WeakPolarHBondContact O-CD2 3.43Å; N113-F117 PolarHBondContact O-N 3.1Å; N113-N138 PolarHBondContact ND2-O 2.92Å; N113-L143 HydrophobicContact CB-CD1 3.76Å; N113-L143 HydrophobicContact CB-CD2 3.72Å; N113-L143 HydrophobicContact CB-CG 4.39Å
114V96.3Very high94.2Very high0 Ų043.4 Ų43.40%022%0.223CC..Hα-helixtrans-57.5-47.5170.9166.90000110.5V110 Q111 R112 I116 F117 K118 V146 L330V110-V114 HydrophobicContact CG1-CG2 4.15Å; V110-V114 VanDerWaalsContact O-CG2 3.3Å; V110-V114 WeakPolarHBondContact O-CG2 3.49Å; V110-V114 PolarHBondContact O-N 3.07Å; Q111-V114 WeakPolarHBondContact O-CB 3.37Å; Q111-V114 PolarHBondContact O-N 2.62Å; R112-V114 VanDerWaalsContact C-N 3.32Å; V114-I116 VanDerWaalsContact C-N 3.33Å; V114-I116 PolarHBondContact O-N 2.87Å; V114-F117 PolarHBondContact O-N 3.44Å; V114-F117 VanDerWaalsContact O-N 3.13Å; V114-K118 WeakPolarHBondContact O-CG 3.42Å; V114-K118 PolarHBondContact O-N 2.92Å; V114-V146 HydrophobicContact CG2-CG1 4.09Å; V114-V146 HydrophobicContact CG2-CG2 3.74Å; V114-L330 HydrophobicContact CG2-CD2 4.32Å
115S96.2Very high94.7Very high59 Ų5943.3 Ų43.341%0.41322%0.224SC..Hα-helixtrans-61-38.5176.4-61.60000113.1Q111 R112 N113Q111-S115 PolarHBondContact O-N 3.15Å; Q111-S115 PolarHBondContact O-OG 3.41Å; R112-S115 WeakPolarHBondContact O-CB 3.42Å; R112-S115 PolarHBondContact O-N 2.82Å; N113-S115 VanDerWaalsContact C-N 3.35Å; N113-S115 PolarHBondContact O-N 3.34Å
116I96.3Very high95.2Very high61 Ų6145.8 Ų45.831%0.31323%0.23SC..Hα-helixtrans-64.6-44.2173.6-65.5166.6000110.3A98 R112 N113 V114 K118 L119 M120A98-I116 HydrophobicContact CB-CD1 4.13Å; R112-I116 WeakPolarHBondContact O-CG1 3.31Å; R112-I116 PolarHBondContact O-N 3.49Å; N113-I116 PolarHBondContact O-N 2.68Å; V114-I116 VanDerWaalsContact C-N 3.33Å; V114-I116 PolarHBondContact O-N 2.87Å; I116-K118 PolarHBondContact O-N 2.87Å; I116-L119 PolarHBondContact O-N 3.1Å; I116-M120 HydrophobicContact CG2-CE 4.46Å; I116-M120 WeakPolarHBondContact O-CB 3.49Å; I116-M120 PolarHBondContact O-N 3.3Å
117F98.2Very high95.8Very high0 Ų044.3 Ų44.30%023%0.225CC..Hα-helixtrans-65.1-35.8-180-86.7-132000112.3I94 N113 V114 L119 M120 I121 I135 T137 L143 V146 A147 L150I94-F117 HydrophobicContact CG2-CE1 4.46Å; I94-F117 HydrophobicContact CG2-CE2 4.05Å; I94-F117 HydrophobicContact CG2-CZ 3.72Å; N113-F117 WeakPolarHBondContact O-CB 3.44Å; N113-F117 WeakPolarHBondContact O-CD2 3.43Å; N113-F117 PolarHBondContact O-N 3.1Å; V114-F117 PolarHBondContact O-N 3.44Å; V114-F117 VanDerWaalsContact O-N 3.13Å; F117-L119 PolarHBondContact O-N 3.47Å; F117-M120 HydrophobicContact CD1-CE 4.34Å; F117-M120 HydrophobicContact CD2-CE 3.3Å; F117-M120 HydrophobicContact CE1-CE 4.4Å; F117-M120 HydrophobicContact CE2-CE 3.38Å; F117-M120 HydrophobicContact CG-CE 3.81Å; F117-M120 HydrophobicContact CZ-CE 3.96Å; F117-M120 PolarHBondContact O-N 3.31Å; F117-I121 HydrophobicContact CB-CG1 4.12Å; F117-I121 HydrophobicContact CD1-CD1 4.08Å; F117-I121 HydrophobicContact CD1-CG1 3.92Å; F117-I121 HydrophobicContact CE1-CD1 4.43Å; F117-I121 HydrophobicContact CG-CG1 4.26Å; F117-I121 WeakPolarHBondContact O-CB 3.35Å; F117-I121 WeakPolarHBondContact O-CG1 3.48Å; F117-I121 PolarHBondContact O-N 2.87Å; F117-I135 HydrophobicContact CE1-CD1 4.34Å; F117-I135 HydrophobicContact CE1-CG2 4.13Å; F117-I135 HydrophobicContact CZ-CG2 4.06Å; F117-T137 HydrophobicContact CE2-CG2 4.18Å; F117-T137 HydrophobicContact CZ-CG2 4.49Å; F117-L143 HydrophobicContact CE1-CB 3.96Å; F117-L143 WeakPolarHBondContact CE1-O 3.42Å; F117-L143 HydrophobicContact CE2-CD1 4.23Å; F117-L143 HydrophobicContact CZ-CB 3.99Å; F117-L143 HydrophobicContact CZ-CD1 4.17Å; F117-V146 HydrophobicContact CB-CG1 4.04Å; F117-V146 HydrophobicContact CD1-CG1 4.23Å; F117-V146 HydrophobicContact CG-CG1 4.47Å; F117-A147 HydrophobicContact CD1-CB 4.11Å; F117-A147 HydrophobicContact CE1-CB 4.03Å; F117-L150 HydrophobicContact CB-CD1 3.8Å
118K97.1Very high96.3Very high63 Ų6341.3 Ų41.327%0.27421%0.21SC..Hα-helixtrans-58.7-34.4174.4-73-177.8-159.8-176.40113V114 I116 P122 L150 K331 F332V114-K118 WeakPolarHBondContact O-CG 3.42Å; V114-K118 PolarHBondContact O-N 2.92Å; I116-K118 PolarHBondContact O-N 2.87Å; K118-P122 VanDerWaalsContact O-CD 3.23Å; K118-P122 WeakPolarHBondContact O-CD 3.37Å; K118-P122 WeakPolarHBondContact O-CG 3.41Å; K118-L150 HydrophobicContact CG-CD1 4.14Å; K118-L150 HydrophobicContact CG-CD2 4.02Å; K118-K331 PolarHBondContact NZ-O 2.64Å; K118-F332 WeakPolarHBondContact CD-OXT 3.29Å; K118-F332 WeakPolarHBondContact CE-OXT 3.29Å; K118-F332 PolarHBondContact NZ-O 3.25Å; K118-F332 PolarHBondContact NZ-OXT 2.71Å
119L95.5Very high96.7Very high130 Ų13040.1 Ų40.168%0.68121%0.206SC*.Hα-helixtrans-82-36.9177.3-61.1173.9000111.6I116 F117 N123I116-L119 PolarHBondContact O-N 3.1Å; F117-L119 PolarHBondContact O-N 3.47Å; L119-N123 PolarHBondContact O-ND2 3.12Å
120M96.8Very high97Very high4 Ų446.6 Ų46.62%0.0224%0.236CC..Hα-helixtrans-82.9-50.3-172.1168.7174.460.600113.7V26 Y83 I94 A96 I116 F117 N123 I124V26-M120 HydrophobicContact CB-SD 4.13Å; V26-M120 HydrophobicContact CG1-CG 4.27Å; V26-M120 HydrophobicContact CG1-SD 3.47Å; V26-M120 WeakPolarHBondContact CG1-SD 3.05Å; Y83-M120 HydrophobicContact CE1-CG 4.1Å; Y83-M120 VanDerWaalsContact OH-CG 3.28Å; Y83-M120 WeakPolarHBondContact OH-CG 3.45Å; I94-M120 HydrophobicContact CD1-CE 4.24Å; I94-M120 HydrophobicContact CD1-SD 4.41Å; I94-M120 HydrophobicContact CG2-CE 3.39Å; I94-M120 HydrophobicContact CG2-SD 3.78Å; A96-M120 HydrophobicContact CB-SD 4.32Å; I116-M120 HydrophobicContact CG2-CE 4.46Å; I116-M120 WeakPolarHBondContact O-CB 3.49Å; I116-M120 PolarHBondContact O-N 3.3Å; F117-M120 HydrophobicContact CD1-CE 4.34Å; F117-M120 HydrophobicContact CD2-CE 3.3Å; F117-M120 HydrophobicContact CE1-CE 4.4Å; F117-M120 HydrophobicContact CE2-CE 3.38Å; F117-M120 HydrophobicContact CG-CE 3.81Å; F117-M120 HydrophobicContact CZ-CE 3.96Å; F117-M120 PolarHBondContact O-N 3.31Å; M120-N123 PolarHBondContact O-N 3.13Å; M120-I124 HydrophobicContact CG-CD1 3.51Å; M120-I124 HydrophobicContact CG-CG1 4.34Å; M120-I124 WeakPolarHBondContact O-CG1 3.07Å; M120-I124 PolarHBondContact O-N 2.89Å; M120-I124 HydrophobicContact SD-CD1 4.31Å
121I98.4Very high97.2Very high0 Ų046.6 Ų46.60%024%0.236CC..Hα-helixtrans-61.8-46.1-169.7-63.1-69.1000112.5I94 F117 N123 I124 T125 L133 A147 L150I94-I121 HydrophobicContact CD1-CD1 3.35Å; F117-I121 HydrophobicContact CB-CG1 4.12Å; F117-I121 HydrophobicContact CD1-CD1 4.08Å; F117-I121 HydrophobicContact CD1-CG1 3.92Å; F117-I121 HydrophobicContact CE1-CD1 4.43Å; F117-I121 HydrophobicContact CG-CG1 4.26Å; F117-I121 WeakPolarHBondContact O-CB 3.35Å; F117-I121 WeakPolarHBondContact O-CG1 3.48Å; F117-I121 PolarHBondContact O-N 2.87Å; I121-N123 VanDerWaalsContact C-N 3.3Å; I121-N123 PolarHBondContact O-N 2.99Å; I121-I124 PolarHBondContact O-N 3.08Å; I121-I124 VanDerWaalsContact O-N 3.16Å; I121-T125 HydrophobicContact CG2-CG2 4.24Å; I121-T125 PolarHBondContact O-N 3.03Å; I121-T125 PolarHBondContact O-OG1 2.72Å; I121-L133 HydrophobicContact CD1-CD1 4.34Å; I121-A147 HydrophobicContact CD1-CB 3.88Å; I121-A147 HydrophobicContact CG1-CB 4.45Å; I121-L150 HydrophobicContact CB-CB 3.96Å; I121-L150 HydrophobicContact CB-CD1 4.48Å; I121-L150 HydrophobicContact CG1-CB 4.41Å; I121-L150 HydrophobicContact CG1-CD1 4.36Å; I121-L150 HydrophobicContact CG2-CB 3.76Å
122P98.1Very high97.4Very high56 Ų5645.3 Ų45.336%0.36423%0.229SC..Hα-helixtrans-61.2-36.4179.4-25.736.8000113.7K118 T125 Q126K118-P122 VanDerWaalsContact O-CD 3.23Å; K118-P122 WeakPolarHBondContact O-CD 3.37Å; K118-P122 WeakPolarHBondContact O-CG 3.41Å; P122-T125 PolarHBondContact O-N 3.05Å; P122-T125 PolarHBondContact O-OG1 2.78Å; P122-Q126 VanDerWaalsContact O-CB 3.29Å; P122-Q126 WeakPolarHBondContact O-CB 3.11Å; P122-Q126 PolarHBondContact O-N 2.86Å
123N97.9Very high97.6Very high58 Ų5841.5 Ų41.531%0.3122%0.215SC..Hα-helixtrans-65.6-42.7175.9-78.4-67.2000111.3Y83 L119 M120 I121 Q126 Y127Y83-N123 HydrophobicContact CD1-CB 4.15Å; Y83-N123 HydrophobicContact CD2-CB 3.78Å; Y83-N123 HydrophobicContact CE2-CB 4.38Å; Y83-N123 HydrophobicContact CG-CB 3.66Å; L119-N123 PolarHBondContact O-ND2 3.12Å; M120-N123 PolarHBondContact O-N 3.13Å; I121-N123 VanDerWaalsContact C-N 3.3Å; I121-N123 PolarHBondContact O-N 2.99Å; N123-Q126 PolarHBondContact O-N 3.36Å; N123-Y127 WeakPolarHBondContact O-CD2 2.95Å; N123-Y127 PolarHBondContact O-N 3.14Å
124I98.3Very high97.7Very high0 Ų041.5 Ų41.50%022%0.215CC..Hα-helixtrans-61.1-48.4176.3-65.7167.1000110.8V26 Y83 V92 I94 M120 I121 Q126 Y127 S128 L133V26-I124 HydrophobicContact CG2-CD1 4Å; Y83-I124 HydrophobicContact CD1-CG1 3.63Å; Y83-I124 HydrophobicContact CE1-CD1 4.04Å; Y83-I124 HydrophobicContact CE1-CG1 3.53Å; V92-I124 HydrophobicContact CB-CG2 4.02Å; V92-I124 HydrophobicContact CG1-CD1 4.01Å; V92-I124 HydrophobicContact CG1-CG1 4.36Å; V92-I124 HydrophobicContact CG1-CG2 3.82Å; V92-I124 HydrophobicContact CG2-CG2 3.83Å; I94-I124 HydrophobicContact CD1-CD1 3.72Å; I94-I124 HydrophobicContact CG1-CD1 4.23Å; M120-I124 HydrophobicContact CG-CD1 3.51Å; M120-I124 HydrophobicContact CG-CG1 4.34Å; M120-I124 WeakPolarHBondContact O-CG1 3.07Å; M120-I124 PolarHBondContact O-N 2.89Å; M120-I124 HydrophobicContact SD-CD1 4.31Å; I121-I124 PolarHBondContact O-N 3.08Å; I121-I124 VanDerWaalsContact O-N 3.16Å; I124-Q126 VanDerWaalsContact C-N 3.32Å; I124-Q126 PolarHBondContact O-N 3.08Å; I124-Y127 PolarHBondContact O-N 3.02Å; I124-S128 PolarHBondContact O-N 2.84Å; I124-L133 HydrophobicContact CG2-CD2 3.82Å
125T97.9Very high97.9Very high25 Ų2541.5 Ų41.515%0.15322%0.215CC..Hα-helixtrans-70.8-28.7-176.457.60000112.9I121 P122 P129 F153I121-T125 HydrophobicContact CG2-CG2 4.24Å; I121-T125 PolarHBondContact O-N 3.03Å; I121-T125 PolarHBondContact O-OG1 2.72Å; P122-T125 PolarHBondContact O-N 3.05Å; P122-T125 PolarHBondContact O-OG1 2.78Å; T125-P129 VanDerWaalsContact O-CA 3.27Å; T125-P129 WeakPolarHBondContact O-CA 3.3Å; T125-F153 HydrophobicContact CG2-CD1 4.19Å; T125-F153 HydrophobicContact CG2-CE1 3.62Å; T125-F153 HydrophobicContact CG2-CE2 4.22Å; T125-F153 HydrophobicContact CG2-CZ 3.64Å
126Q98.2Very high98Very high125 Ų12539.2 Ų39.258%0.58420%0.198SC*.Hα-helixtrans-61.4-48.2172176.7-179.3-20.200111.7P122 N123 I124P122-Q126 VanDerWaalsContact O-CB 3.29Å; P122-Q126 WeakPolarHBondContact O-CB 3.11Å; P122-Q126 PolarHBondContact O-N 2.86Å; N123-Q126 PolarHBondContact O-N 3.36Å; I124-Q126 VanDerWaalsContact C-N 3.32Å; I124-Q126 PolarHBondContact O-N 3.08Å
127Y98.4Very high98Very high56 Ų5636.7 Ų36.722%0.2219%0.186CC..Hα-helixtrans-87.6-22.5-175.5-64.3-61.8000113.6Y83 L84 A87 N88 N123 I124Y83-Y127 VanDerWaalsContact C-CD2 3.46Å; Y83-Y127 WeakPolarHBondContact O-CD2 3.45Å; L84-Y127 HydrophobicContact CB-CE1 4.21Å; L84-Y127 HydrophobicContact CB-CE2 4.49Å; L84-Y127 HydrophobicContact CD1-CD1 3.83Å; L84-Y127 HydrophobicContact CD1-CE1 3.49Å; L84-Y127 VanDerWaalsContact CD1-CE1 3.49Å; L84-Y127 HydrophobicContact CG-CE1 4.47Å; A87-Y127 VanDerWaalsContact CA-O 3.29Å; A87-Y127 WeakPolarHBondContact CA-O 3.46Å; N88-Y127 PolarHBondContact N-O 3.3Å; N88-Y127 VanDerWaalsContact N-O 3.08Å; N123-Y127 WeakPolarHBondContact O-CD2 2.95Å; N123-Y127 PolarHBondContact O-N 3.14Å; I124-Y127 PolarHBondContact O-N 3.02Å
128S98.3Very high97.9Very high1 Ų140.4 Ų40.41%0.00721%0.206CC..  trans-132.163.9179.7-680000112.3T86 N88 S89 I124 H130 C131T86-S128 PolarHBondContact O-OG 3.38Å; N88-S128 PolarHBondContact N-OG 2.84Å; S89-S128 WeakPolarHBondContact CB-OG 3.49Å; S89-S128 PolarHBondContact N-OG 3.34Å; I124-S128 PolarHBondContact O-N 2.84Å; S128-H130 PolarHBondContact O-N 2.9Å; S128-C131 PolarHBondContact O-N 2.99Å; S128-C131 VanDerWaalsContact O-N 3.13Å; S128-C131 PolarHBondContact O-SG 2.98Å
129P98.1Very high97.8Very high56 Ų5638.1 Ų38.136%0.36420%0.197SC..THydrogen-bonded Turntrans-63.8-19.3-173.425.6-35.6000114.1T125 F153 R157T125-P129 VanDerWaalsContact O-CA 3.27Å; T125-P129 WeakPolarHBondContact O-CA 3.3Å; P129-F153 WeakPolarHBondContact O-CE1 3.13Å; P129-F153 VanDerWaalsContact O-CZ 3.27Å; P129-F153 WeakPolarHBondContact O-CZ 3.41Å; P129-R157 PolarHBondContact O-NH1 3.47Å; P129-R157 PolarHBondContact O-NH2 3.5Å; P129-R157 VanDerWaalsContact O-NH2 3.08Å
130H97.4Very high97.9Very high158 Ų15831.9 Ų31.973%0.73117%0.165SC*.THydrogen-bonded Turntrans-104.21.7-179.1-58-60.5000114.3S128 R157S128-H130 PolarHBondContact O-N 2.9Å; H130-R157 VanDerWaalsContact CA-NH1 3.29Å
131C98.4Very high98Very high0 Ų031.8 Ų31.80%017%0.165CC..PPolyproline II helixtrans-68.7166.3-178.8730000112.8S89 N90 V92 S128 F153 R157S89-C131 WeakPolarHBondContact O-CB 3.29Å; N90-C131 WeakPolarHBondContact O-CA 3.26Å; V92-C131 HydrophobicContact CG2-CB 4.02Å; S128-C131 PolarHBondContact O-N 2.99Å; S128-C131 VanDerWaalsContact O-N 3.13Å; S128-C131 PolarHBondContact O-SG 2.98Å; C131-F153 WeakPolarHBondContact O-CE2 3.27Å; C131-R157 PolarHBondContact O-NH1 3.07Å
132K98.8Very high97.9Very high20 Ų2031.8 Ų31.89%0.08717%0.165CC..EExtended strand (participates in β ladder)trans-95.2142.7158.3-71.572.160.5175.80108.1N90 L91 V92 R157 I263 E297N90-K132 WeakPolarHBondContact O-CE 3.37Å; N90-K132 PolarHBondContact O-N 3.19Å; N90-K132 PolarHBondContact O-NZ 2.91Å; L91-K132 WeakPolarHBondContact CA-O 3.17Å; L91-K132 HydrophobicContact CD1-CB 3.8Å; V92-K132 PolarHBondContact N-O 3.47Å; K132-R157 CarbonylContact C-O 3.58Å; K132-R157 WeakPolarHBondContact CA-O 3.1Å; K132-R157 HydrophobicContact CG-CB 4.43Å; K132-R157 HydrophobicContact CG-CG 4.39Å; K132-I263 HydrophobicContact CG-CG2 4.45Å; K132-E297 VanDerWaalsContact CD-O 3.31Å; K132-E297 WeakPolarHBondContact CD-O 3.45Å; K132-E297 WeakPolarHBondContact CE-O 3.48Å; K132-E297 PolarHBondContact NZ-O 3.08Å
133L98.9Very high97.9Very high0 Ų029.1 Ų29.10%015%0.147CC..EExtended strand (participates in β ladder)trans-98.1125.2170.5-59.5-178.4000108.7V92 I121 I124 I135 F153 R157 V158 I159V92-L133 HydrophobicContact CB-CD2 4Å; V92-L133 WeakPolarHBondContact O-CA 3.43Å; I121-L133 HydrophobicContact CD1-CD1 4.34Å; I124-L133 HydrophobicContact CG2-CD2 3.82Å; L133-I135 HydrophobicContact CB-CD1 4.16Å; L133-F153 HydrophobicContact CD1-CD2 4.25Å; L133-F153 HydrophobicContact CD1-CE2 4.45Å; L133-F153 HydrophobicContact CG-CD2 4.17Å; L133-F153 HydrophobicContact CG-CE2 4.15Å; L133-R157 PolarHBondContact N-O 3.07Å; L133-V158 HydrophobicContact CB-CG1 4.41Å; L133-V158 HydrophobicContact CD1-CG2 4.28Å; L133-I159 PolarHBondContact O-N 3.21Å
134L98.9Very high98Very high0 Ų026.4 Ų26.40%013%0.132CC..EExtended strand (participates in β ladder)trans-112.6104.5170.4178.358.1000109.2L91 V92 I93 I94 V136 I159 V256 L259L91-L134 HydrophobicContact CD1-CB 4.02Å; V92-L134 PolarHBondContact O-N 3.18Å; I93-L134 CarbonylContact C-O 3.55Å; I93-L134 WeakPolarHBondContact CA-O 3.35Å; I93-L134 HydrophobicContact CG1-CB 4.32Å; I93-L134 HydrophobicContact CG1-CD2 4.34Å; I94-L134 PolarHBondContact N-O 3.48Å; L134-V136 HydrophobicContact CG-CG2 4.45Å; L134-I159 CarbonylContact C-O 3.56Å; L134-I159 VanDerWaalsContact CA-O 3.3Å; L134-I159 WeakPolarHBondContact CA-O 3.47Å; L134-I159 HydrophobicContact CD1-CB 4.3Å; L134-I159 HydrophobicContact CD1-CG2 4.06Å; L134-V256 HydrophobicContact CD2-CG1 3.91Å; L134-L259 HydrophobicContact CD1-CD1 3.99Å; L134-L259 HydrophobicContact CD2-CB 4.21Å
135I98.9Very high98Very high0 Ų027.7 Ų27.70%014%0.138CC..EExtended strand (participates in β ladder)trans-86.4125.7-177.5-47.1-53.5000108.9I94 F117 L133 V140 L143 T144 A147 I159 G160 S161I94-I135 HydrophobicContact CB-CD1 4.07Å; I94-I135 HydrophobicContact CD1-CD1 3.67Å; I94-I135 HydrophobicContact CG1-CD1 4.12Å; F117-I135 HydrophobicContact CE1-CD1 4.34Å; F117-I135 HydrophobicContact CE1-CG2 4.13Å; F117-I135 HydrophobicContact CZ-CG2 4.06Å; L133-I135 HydrophobicContact CB-CD1 4.16Å; I135-V140 HydrophobicContact CB-CG2 4.46Å; I135-V140 HydrophobicContact CG2-CG2 4.37Å; I135-V140 WeakPolarHBondContact O-CG2 3.3Å; I135-L143 HydrophobicContact CG2-CB 4.12Å; I135-T144 HydrophobicContact CG1-CG2 4.36Å; I135-A147 HydrophobicContact CD1-CB 3.65Å; I135-A147 HydrophobicContact CG1-CB 3.97Å; I135-I159 PolarHBondContact N-O 2.93Å; I135-G160 CarbonylContact O-C 3.56Å; I135-G160 WeakPolarHBondContact O-CA 3.45Å; I135-S161 PolarHBondContact O-N 2.94Å
136V98.6Very high98Very high10 Ų1026.5 Ų26.56%0.06113%0.13CC..  trans-119.4-24177.4-1720000110.5V31 I93 I94 T95 L134 N138 I252 V256V31-V136 HydrophobicContact CG1-CG1 3.93Å; I93-V136 HydrophobicContact CG2-CG2 3.78Å; I94-V136 WeakPolarHBondContact O-CA 3.45Å; I94-V136 WeakPolarHBondContact O-CB 3.13Å; I94-V136 PolarHBondContact O-N 3.09Å; T95-V136 HydrophobicContact CG2-CB 4.13Å; T95-V136 HydrophobicContact CG2-CG2 4.3Å; L134-V136 HydrophobicContact CG-CG2 4.45Å; V136-N138 PolarHBondContact O-N 2.94Å; V136-I252 HydrophobicContact CG1-CD1 4.04Å; V136-I252 HydrophobicContact CG1-CG1 3.68Å; V136-V256 HydrophobicContact CG1-CG2 4.17Å; V136-V256 HydrophobicContact CG2-CG2 3.62Å
137T97.9Very high98Very high9 Ų920.6 Ų20.66%0.05510%0.103CC..SBendtrans-56.9134.4177.2-53.80000111.6I94 T95 A96 F117 V140 L143I94-T137 PolarHBondContact O-N 3.38Å; I94-T137 VanDerWaalsContact O-N 3.13Å; I94-T137 PolarHBondContact O-OG1 3.2Å; T95-T137 VanDerWaalsContact C-OG1 3.27Å; A96-T137 PolarHBondContact N-OG1 2.85Å; A96-T137 WeakPolarHBondContact O-CB 3.31Å; A96-T137 WeakPolarHBondContact O-CG2 3.06Å; A96-T137 PolarHBondContact O-OG1 2.94Å; F117-T137 HydrophobicContact CE2-CG2 4.18Å; F117-T137 HydrophobicContact CZ-CG2 4.49Å; T137-V140 WeakPolarHBondContact O-CA 3.5Å; T137-V140 PolarHBondContact O-N 3.38Å; T137-L143 HydrophobicContact CG2-CD1 3.5Å
138N94.3Very high98Very high78 Ų7819.7 Ų19.742%0.41710%0.099SC..SBendtrans-90.9149.9-178.9-84.1-40.1000114.1N113 V136 V140 L143 H193N113-N138 PolarHBondContact ND2-O 2.92Å; V136-N138 PolarHBondContact O-N 2.94Å; N138-V140 PolarHBondContact OD1-N 3.11Å; N138-L143 VanDerWaalsContact O-CD1 3.31Å; N138-L143 WeakPolarHBondContact O-CD1 3.47Å; N138-H193 PolarHBondContact OD1-CD2 2.94Å
139P95.3Very high98Very high14 Ų1423.2 Ų23.29%0.09111%0.114CC..SBendcis-74.8120-4.828.5-30.9000111.4V110 D141 I142 L143V110-P139 HydrophobicContact CG2-CG 3.35Å; P139-D141 VanDerWaalsContact C-N 3.35Å; P139-D141 PolarHBondContact O-N 2.82Å; P139-I142 HydrophobicContact CB-CD1 4.45Å; P139-I142 HydrophobicContact CG-CB 4.28Å; P139-I142 HydrophobicContact CG-CD1 4.02Å; P139-I142 PolarHBondContact O-N 3.21Å; P139-L143 WeakPolarHBondContact O-CB 3.27Å; P139-L143 WeakPolarHBondContact O-CG 3.47Å; P139-L143 PolarHBondContact O-N 3.06Å
140V97.8Very high98Very high0 Ų022.5 Ų22.50%011%0.107CC..Hα-helixtrans-64.1-38-162.163.60000112.9I135 T137 N138 L143 T144 H193I135-V140 HydrophobicContact CB-CG2 4.46Å; I135-V140 HydrophobicContact CG2-CG2 4.37Å; I135-V140 WeakPolarHBondContact O-CG2 3.3Å; T137-V140 WeakPolarHBondContact O-CA 3.5Å; T137-V140 PolarHBondContact O-N 3.38Å; N138-V140 PolarHBondContact OD1-N 3.11Å; V140-L143 PolarHBondContact O-N 3.22Å; V140-T144 VanDerWaalsContact O-CB 3.31Å; V140-T144 WeakPolarHBondContact O-CB 3.19Å; V140-T144 PolarHBondContact O-N 3.2Å; V140-T144 PolarHBondContact O-OG1 3.15Å; V140-H193 HydrophobicContact CG1-CB 3.54Å
141D98.4Very high98.1Very high2 Ų215.4 Ų15.41%0.0118%0.075CC..Hα-helixtrans-62.8-51-179-62.2-60000111.7P139 L143 T144 Y145 E192 H193 S274 F288 L323P139-D141 VanDerWaalsContact C-N 3.35Å; P139-D141 PolarHBondContact O-N 2.82Å; D141-L143 PolarHBondContact O-N 2.85Å; D141-T144 WeakPolarHBondContact O-CB 3.47Å; D141-T144 PolarHBondContact O-N 3.22Å; D141-Y145 PolarHBondContact O-N 3.13Å; D141-Y145 VanDerWaalsContact O-N 3.15Å; D141-E192 WeakPolarHBondContact OD2-CA 3.46Å; D141-H193 PolarHBondContact OD2-N 2.82Å; D141-S274 WeakPolarHBondContact CA-OG 3.4Å; D141-S274 WeakPolarHBondContact OD1-CB 3.49Å; D141-S274 PolarHBondContact OD1-OG 3.06Å; D141-F288 WeakPolarHBondContact CB-O 3.49Å; D141-F288 WeakPolarHBondContact O-CB 3.3Å; D141-L323 HydrophobicContact CB-CD1 4.07Å; D141-L323 HydrophobicContact CB-CD2 3.98Å
142I97.7Very high97.9Very high0 Ų019.7 Ų19.70%011%0.11CC..Hα-helixtrans-65.6-42.3178.4-60.2168.2000110.9V110 P139 T144 Y145 V146 L323 I326 L330V110-I142 HydrophobicContact CG1-CG2 3.79Å; V110-I142 HydrophobicContact CG2-CD1 4.39Å; P139-I142 HydrophobicContact CB-CD1 4.45Å; P139-I142 HydrophobicContact CG-CB 4.28Å; P139-I142 HydrophobicContact CG-CD1 4.02Å; P139-I142 PolarHBondContact O-N 3.21Å; I142-T144 VanDerWaalsContact C-N 3.26Å; I142-T144 PolarHBondContact O-N 3.14Å; I142-Y145 WeakPolarHBondContact O-CB 3.45Å; I142-Y145 PolarHBondContact O-N 2.85Å; I142-V146 HydrophobicContact CG2-CG2 4.46Å; I142-V146 VanDerWaalsContact O-CG2 3.3Å; I142-V146 WeakPolarHBondContact O-CG2 3.33Å; I142-V146 PolarHBondContact O-N 3.07Å; I142-L323 HydrophobicContact CD1-CD2 4.18Å; I142-L323 HydrophobicContact CG1-CD2 3.92Å; I142-I326 HydrophobicContact CD1-CB 3.84Å; I142-I326 HydrophobicContact CD1-CD1 4.04Å; I142-I326 HydrophobicContact CD1-CG2 3.64Å; I142-L330 HydrophobicContact CG2-CD1 3.65Å
143L98.3Very high97.9Very high0 Ų019.4 Ų19.40%011%0.109CC..Hα-helixtrans-72-21.8179.7-67-178.1000113N113 F117 I135 T137 N138 P139 V140 D141 A147N113-L143 HydrophobicContact CB-CD1 3.76Å; N113-L143 HydrophobicContact CB-CD2 3.72Å; N113-L143 HydrophobicContact CB-CG 4.39Å; F117-L143 HydrophobicContact CE1-CB 3.96Å; F117-L143 WeakPolarHBondContact CE1-O 3.42Å; F117-L143 HydrophobicContact CE2-CD1 4.23Å; F117-L143 HydrophobicContact CZ-CB 3.99Å; F117-L143 HydrophobicContact CZ-CD1 4.17Å; I135-L143 HydrophobicContact CG2-CB 4.12Å; T137-L143 HydrophobicContact CG2-CD1 3.5Å; N138-L143 VanDerWaalsContact O-CD1 3.31Å; N138-L143 WeakPolarHBondContact O-CD1 3.47Å; P139-L143 WeakPolarHBondContact O-CB 3.27Å; P139-L143 WeakPolarHBondContact O-CG 3.47Å; P139-L143 PolarHBondContact O-N 3.06Å; V140-L143 PolarHBondContact O-N 3.22Å; D141-L143 PolarHBondContact O-N 2.85Å; L143-A147 VanDerWaalsContact O-CB 3.3Å; L143-A147 WeakPolarHBondContact O-CB 3.3Å; L143-A147 PolarHBondContact O-N 3.11Å
144T98.8Very high97.9Very high0 Ų022.3 Ų22.30%013%0.128CC..Hα-helixtrans-69.7-44.3169.1-54.90000110.9I135 V140 D141 I142 V146 A147 W148 V158 G160 F288I135-T144 HydrophobicContact CG1-CG2 4.36Å; V140-T144 VanDerWaalsContact O-CB 3.31Å; V140-T144 WeakPolarHBondContact O-CB 3.19Å; V140-T144 PolarHBondContact O-N 3.2Å; V140-T144 PolarHBondContact O-OG1 3.15Å; D141-T144 WeakPolarHBondContact O-CB 3.47Å; D141-T144 PolarHBondContact O-N 3.22Å; I142-T144 VanDerWaalsContact C-N 3.26Å; I142-T144 PolarHBondContact O-N 3.14Å; T144-V146 VanDerWaalsContact C-N 3.35Å; T144-V146 PolarHBondContact O-N 2.79Å; T144-A147 PolarHBondContact O-N 2.85Å; T144-W148 WeakPolarHBondContact O-CB 3.47Å; T144-W148 PolarHBondContact O-N 3.41Å; T144-V158 HydrophobicContact CG2-CG1 3.93Å; T144-G160 WeakPolarHBondContact OG1-CA 3.42Å; T144-F288 HydrophobicContact CG2-CD1 3.39Å; T144-F288 HydrophobicContact CG2-CE1 3.67Å; T144-F288 HydrophobicContact CG2-CG 4.35Å
145Y98.5Very high97.8Very high28 Ų2827.8 Ų27.811%0.1115%0.152CC..Hα-helixtrans-57.8-46.4170.8167.4-99.3000111.9D141 I142 W148 K149 E286 F288 Q327 F332D141-Y145 PolarHBondContact O-N 3.13Å; D141-Y145 VanDerWaalsContact O-N 3.15Å; I142-Y145 WeakPolarHBondContact O-CB 3.45Å; I142-Y145 PolarHBondContact O-N 2.85Å; Y145-W148 AromaticContact CD2-CE3 3.9Å; Y145-W148 HydrophobicContact CD2-CE3 3.9Å; Y145-W148 HydrophobicContact CD2-CZ3 4.12Å; Y145-W148 HydrophobicContact CE2-CE3 4.13Å; Y145-W148 AromaticContact CE2-CZ3 4Å; Y145-W148 HydrophobicContact CE2-CZ3 4Å; Y145-W148 WeakPolarHBondContact O-CB 3.12Å; Y145-W148 PolarHBondContact O-N 2.94Å; Y145-K149 HydrophobicContact CD2-CG 4.35Å; Y145-K149 HydrophobicContact CE1-CG 4.09Å; Y145-K149 HydrophobicContact CE2-CD 4.18Å; Y145-K149 HydrophobicContact CE2-CG 3.87Å; Y145-K149 VanDerWaalsContact CZ-CE 3.45Å; Y145-K149 WeakPolarHBondContact O-CG 3.48Å; Y145-K149 PolarHBondContact O-N 2.97Å; Y145-K149 VanDerWaalsContact OH-CE 3.24Å; Y145-K149 WeakPolarHBondContact OH-CE 3.39Å; Y145-E286 VanDerWaalsContact CD2-O 3.32Å; Y145-E286 WeakPolarHBondContact CD2-O 3.44Å; Y145-E286 HydrophobicContact CE2-CB 4.24Å; Y145-E286 WeakPolarHBondContact CE2-O 3.35Å; Y145-F288 HydrophobicContact CD2-CD2 4.03Å; Y145-F288 HydrophobicContact CD2-CE2 4.15Å; Y145-F288 HydrophobicContact CG-CD2 4.38Å; Y145-Q327 VanDerWaalsContact CD1-CD 3.48Å; Y145-Q327 HydrophobicContact CD1-CG 3.62Å; Y145-Q327 HydrophobicContact CE1-CG 3.6Å; Y145-Q327 HydrophobicContact CG-CG 4.23Å; Y145-F332 HydrophobicContact CD1-CZ 4.14Å; Y145-F332 AromaticContact CE1-CE2 3.79Å; Y145-F332 HydrophobicContact CE1-CE2 3.79Å; Y145-F332 AromaticContact CE1-CZ 3.52Å; Y145-F332 HydrophobicContact CE1-CZ 3.52Å
146V98.3Very high97.8Very high0 Ų030.1 Ų30.10%016%0.164CC..Hα-helixtrans-62-46.4178.7171.50000111.2V114 F117 I142 T144 W148 K149 L150 L330 F332V114-V146 HydrophobicContact CG2-CG1 4.09Å; V114-V146 HydrophobicContact CG2-CG2 3.74Å; F117-V146 HydrophobicContact CB-CG1 4.04Å; F117-V146 HydrophobicContact CD1-CG1 4.23Å; F117-V146 HydrophobicContact CG-CG1 4.47Å; I142-V146 HydrophobicContact CG2-CG2 4.46Å; I142-V146 VanDerWaalsContact O-CG2 3.3Å; I142-V146 WeakPolarHBondContact O-CG2 3.33Å; I142-V146 PolarHBondContact O-N 3.07Å; T144-V146 VanDerWaalsContact C-N 3.35Å; T144-V146 PolarHBondContact O-N 2.79Å; V146-W148 VanDerWaalsContact C-N 3.28Å; V146-W148 PolarHBondContact O-N 3.21Å; V146-K149 PolarHBondContact O-N 2.96Å; V146-L150 HydrophobicContact CG1-CD1 3.65Å; V146-L150 HydrophobicContact CG1-CG 4.3Å; V146-L150 WeakPolarHBondContact O-CB 3.29Å; V146-L150 VanDerWaalsContact O-CG 3.31Å; V146-L150 WeakPolarHBondContact O-CG 3.44Å; V146-L150 PolarHBondContact O-N 3.49Å; V146-L330 HydrophobicContact CG2-CD1 3.88Å; V146-F332 HydrophobicContact CB-CE1 4.48Å; V146-F332 HydrophobicContact CG1-CE1 4.25Å; V146-F332 HydrophobicContact CG2-CE1 4.39Å; V146-F332 HydrophobicContact CG2-CZ 4.15Å
147A98.7Very high97.8Very high0 Ų031.6 Ų31.60%017%0.169CC..Hα-helixtrans-60.1-39.7175.300000111.7F117 I121 I135 L143 T144 L150 S151 V158F117-A147 HydrophobicContact CD1-CB 4.11Å; F117-A147 HydrophobicContact CE1-CB 4.03Å; I121-A147 HydrophobicContact CD1-CB 3.88Å; I121-A147 HydrophobicContact CG1-CB 4.45Å; I135-A147 HydrophobicContact CD1-CB 3.65Å; I135-A147 HydrophobicContact CG1-CB 3.97Å; L143-A147 VanDerWaalsContact O-CB 3.3Å; L143-A147 WeakPolarHBondContact O-CB 3.3Å; L143-A147 PolarHBondContact O-N 3.11Å; T144-A147 PolarHBondContact O-N 2.85Å; A147-L150 PolarHBondContact O-N 3.18Å; A147-S151 WeakPolarHBondContact O-CB 3.38Å; A147-S151 PolarHBondContact O-N 3.09Å; A147-S151 PolarHBondContact O-OG 3.35Å; A147-V158 HydrophobicContact CB-CG1 4.03Å
148W98.6Very high97.9Very high38 Ų3831.1 Ų31.114%0.14417%0.166CC..Hα-helixtrans-62.2-47.5176.4171.857000111.9T144 Y145 V146 S151 A152 F153 V158 E286 F288T144-W148 WeakPolarHBondContact O-CB 3.47Å; T144-W148 PolarHBondContact O-N 3.41Å; Y145-W148 AromaticContact CD2-CE3 3.9Å; Y145-W148 HydrophobicContact CD2-CE3 3.9Å; Y145-W148 HydrophobicContact CD2-CZ3 4.12Å; Y145-W148 HydrophobicContact CE2-CE3 4.13Å; Y145-W148 AromaticContact CE2-CZ3 4Å; Y145-W148 HydrophobicContact CE2-CZ3 4Å; Y145-W148 WeakPolarHBondContact O-CB 3.12Å; Y145-W148 PolarHBondContact O-N 2.94Å; V146-W148 VanDerWaalsContact C-N 3.28Å; V146-W148 PolarHBondContact O-N 3.21Å; W148-S151 PolarHBondContact O-OG 2.89Å; W148-A152 PolarHBondContact O-N 2.87Å; W148-F153 PolarHBondContact NE1-O 3.29Å; W148-F153 VanDerWaalsContact NE1-O 3.17Å; W148-V158 HydrophobicContact CB-CB 4.19Å; W148-V158 HydrophobicContact CB-CG1 4.02Å; W148-V158 HydrophobicContact CB-CG2 4.32Å; W148-E286 HydrophobicContact CZ3-CB 4.42Å; W148-F288 HydrophobicContact CB-CE2 4.35Å; W148-F288 HydrophobicContact CB-CZ 3.83Å; W148-F288 AromaticContact CD2-CE2 3.98Å; W148-F288 HydrophobicContact CD2-CE2 3.98Å; W148-F288 AromaticContact CD2-CZ 3.9Å; W148-F288 HydrophobicContact CD2-CZ 3.9Å; W148-F288 AromaticContact CE3-CE2 3.56Å; W148-F288 HydrophobicContact CE3-CE2 3.56Å; W148-F288 AromaticContact CE3-CZ 3.98Å; W148-F288 HydrophobicContact CE3-CZ 3.98Å; W148-F288 HydrophobicContact CG-CE2 4.32Å; W148-F288 AromaticContact CG-CZ 3.83Å; W148-F288 HydrophobicContact CG-CZ 3.83Å; W148-F288 HydrophobicContact CZ3-CE2 4.16Å
149K97.9Very high98.1Very high75 Ų7527.4 Ų27.433%0.32615%0.146SC..Hα-helixtrans-62.7-43.2176.9-68.5-58.8-173.1-173.50112.9Y145 V146 E286 F332Y145-K149 HydrophobicContact CD2-CG 4.35Å; Y145-K149 HydrophobicContact CE1-CG 4.09Å; Y145-K149 HydrophobicContact CE2-CD 4.18Å; Y145-K149 HydrophobicContact CE2-CG 3.87Å; Y145-K149 VanDerWaalsContact CZ-CE 3.45Å; Y145-K149 WeakPolarHBondContact O-CG 3.48Å; Y145-K149 PolarHBondContact O-N 2.97Å; Y145-K149 VanDerWaalsContact OH-CE 3.24Å; Y145-K149 WeakPolarHBondContact OH-CE 3.39Å; V146-K149 PolarHBondContact O-N 2.96Å; K149-E286 WeakPolarHBondContact CE-OE2 3.42Å; K149-E286 IonicContact NZ-OE2 2.66Å; K149-E286 PolarHBondContact NZ-OE2 3.09Å; K149-F332 HydrophobicContact CB-CD1 4.43Å; K149-F332 HydrophobicContact CB-CE1 3.61Å; K149-F332 HydrophobicContact CB-CZ 3.96Å; K149-F332 HydrophobicContact CG-CE1 4.15Å; K149-F332 HydrophobicContact CG-CZ 3.95Å
150L98.1Very high98.3Very high40 Ų4026.8 Ų26.821%0.20914%0.142CC..Hα-helixtrans-76.5-29.8-177.5-67.1173.1000113.7F117 K118 I121 V146 A147 F332F117-L150 HydrophobicContact CB-CD1 3.8Å; K118-L150 HydrophobicContact CG-CD1 4.14Å; K118-L150 HydrophobicContact CG-CD2 4.02Å; I121-L150 HydrophobicContact CB-CB 3.96Å; I121-L150 HydrophobicContact CB-CD1 4.48Å; I121-L150 HydrophobicContact CG1-CB 4.41Å; I121-L150 HydrophobicContact CG1-CD1 4.36Å; I121-L150 HydrophobicContact CG2-CB 3.76Å; V146-L150 HydrophobicContact CG1-CD1 3.65Å; V146-L150 HydrophobicContact CG1-CG 4.3Å; V146-L150 WeakPolarHBondContact O-CB 3.29Å; V146-L150 VanDerWaalsContact O-CG 3.31Å; V146-L150 WeakPolarHBondContact O-CG 3.44Å; V146-L150 PolarHBondContact O-N 3.49Å; A147-L150 PolarHBondContact O-N 3.18Å; L150-F332 HydrophobicContact CD2-CD1 4.26Å
151S98.1Very high98.3Very high9 Ų926.9 Ų26.96%0.06314%0.143CC..Hα-helixtrans-80.9-23.1-178.659.20000113.4A147 W148 F153A147-S151 WeakPolarHBondContact O-CB 3.38Å; A147-S151 PolarHBondContact O-N 3.09Å; A147-S151 PolarHBondContact O-OG 3.35Å; W148-S151 PolarHBondContact O-OG 2.89Å; S151-F153 WeakPolarHBondContact O-CD1 3.43Å; S151-F153 PolarHBondContact O-N 2.86Å; S151-F153 PolarHBondContact OG-N 3.36Å
152A96.1Very high98.3Very high90 Ų9026.8 Ų26.874%0.74414%0.142SC*.  trans53.219.2-166.700000113.7W148W148-A152 PolarHBondContact O-N 2.87Å
153F98.6Very high98.4Very high14 Ų1426.8 Ų26.86%0.06114%0.142CC..  trans-71.7153176.1-81.28.1000110.8T125 P129 C131 L133 W148 S151 R157 V158T125-F153 HydrophobicContact CG2-CD1 4.19Å; T125-F153 HydrophobicContact CG2-CE1 3.62Å; T125-F153 HydrophobicContact CG2-CE2 4.22Å; T125-F153 HydrophobicContact CG2-CZ 3.64Å; P129-F153 WeakPolarHBondContact O-CE1 3.13Å; P129-F153 VanDerWaalsContact O-CZ 3.27Å; P129-F153 WeakPolarHBondContact O-CZ 3.41Å; C131-F153 WeakPolarHBondContact O-CE2 3.27Å; L133-F153 HydrophobicContact CD1-CD2 4.25Å; L133-F153 HydrophobicContact CD1-CE2 4.45Å; L133-F153 HydrophobicContact CG-CD2 4.17Å; L133-F153 HydrophobicContact CG-CE2 4.15Å; W148-F153 PolarHBondContact NE1-O 3.29Å; W148-F153 VanDerWaalsContact NE1-O 3.17Å; S151-F153 WeakPolarHBondContact O-CD1 3.43Å; S151-F153 PolarHBondContact O-N 2.86Å; S151-F153 PolarHBondContact OG-N 3.36Å; F153-R157 HydrophobicContact CB-CB 4.46Å; F153-R157 HydrophobicContact CD2-CB 4.14Å; F153-R157 VanDerWaalsContact CE2-NH1 3.3Å; F153-V158 HydrophobicContact CB-CG2 3.77Å; F153-V158 HydrophobicContact CD2-CG2 4.45Å
154P98.4Very high98.4Very high62 Ų6227.4 Ų27.440%0.40315%0.146SC..  trans-63.4142.7168.233.2-37.8000108.9N156 R157P154-N156 VanDerWaalsContact CB-OD1 3.25Å; P154-N156 WeakPolarHBondContact CB-OD1 3.4Å; P154-N156 WeakPolarHBondContact CG-OD1 3.45Å; P154-N156 PolarHBondContact O-N 3.46Å; P154-R157 HydrophobicContact CG-CG 4.17Å; P154-R157 PolarHBondContact O-N 3.16Å
155K97.6Very high98.4Very high114 Ų11428 Ų2850%0.49615%0.149SC..G310 helixtrans-53.6-30-171.263.2-178.3179.7176.90114.4R157 V158 L276K155-R157 PolarHBondContact O-N 3.17Å; K155-V158 PolarHBondContact O-N 2.93Å; K155-L276 HydrophobicContact CD-CB 4.21Å; K155-L276 HydrophobicContact CD-CD2 3.69Å
156N98.6Very high98.4Very high49 Ų4926.9 Ų26.926%0.26215%0.145SC..G310 helixtrans-62.6-24.7177.860.6-65.3000113.3P154 N298 G299 I300P154-N156 VanDerWaalsContact CB-OD1 3.25Å; P154-N156 WeakPolarHBondContact CB-OD1 3.4Å; P154-N156 WeakPolarHBondContact CG-OD1 3.45Å; P154-N156 PolarHBondContact O-N 3.46Å; N156-N298 PolarHBondContact ND2-O 3.21Å; N156-G299 CarbonylContact O-C 3.6Å; N156-G299 WeakPolarHBondContact O-CA 3.28Å; N156-I300 WeakPolarHBondContact CB-O 3.37Å; N156-I300 PolarHBondContact O-N 3.48Å
157R98.8Very high98.4Very high41 Ų4127.2 Ų27.216%0.15515%0.147CC..G310 helixtrans-942-179-63.8-162.4-65.5139.2-10.8113.9P129 H130 C131 K132 L133 F153 P154 K155P129-R157 PolarHBondContact O-NH1 3.47Å; P129-R157 PolarHBondContact O-NH2 3.5Å; P129-R157 VanDerWaalsContact O-NH2 3.08Å; H130-R157 VanDerWaalsContact CA-NH1 3.29Å; C131-R157 PolarHBondContact O-NH1 3.07Å; K132-R157 CarbonylContact C-O 3.58Å; K132-R157 WeakPolarHBondContact CA-O 3.1Å; K132-R157 HydrophobicContact CG-CB 4.43Å; K132-R157 HydrophobicContact CG-CG 4.39Å; L133-R157 PolarHBondContact N-O 3.07Å; F153-R157 HydrophobicContact CB-CB 4.46Å; F153-R157 HydrophobicContact CD2-CB 4.14Å; F153-R157 VanDerWaalsContact CE2-NH1 3.3Å; P154-R157 HydrophobicContact CG-CG 4.17Å; P154-R157 PolarHBondContact O-N 3.16Å; K155-R157 PolarHBondContact O-N 3.17Å
158V98.9Very high98.4Very high0 Ų029.1 Ų29.10%016%0.163CC..EExtended strand (participates in β ladder)trans-122.2109.2178.9-170.50000109L133 T144 A147 W148 F153 K155L133-V158 HydrophobicContact CB-CG1 4.41Å; L133-V158 HydrophobicContact CD1-CG2 4.28Å; T144-V158 HydrophobicContact CG2-CG1 3.93Å; A147-V158 HydrophobicContact CB-CG1 4.03Å; W148-V158 HydrophobicContact CB-CB 4.19Å; W148-V158 HydrophobicContact CB-CG1 4.02Å; W148-V158 HydrophobicContact CB-CG2 4.32Å; F153-V158 HydrophobicContact CB-CG2 3.77Å; F153-V158 HydrophobicContact CD2-CG2 4.45Å; K155-V158 PolarHBondContact O-N 2.93Å
159I98.9Very high98.4Very high0 Ų029 Ų290%016%0.162CC..EExtended strand (participates in β ladder)trans-125.8127.2-166.1-53.4167.3000107.5L133 L134 I135 I263 V273 L295 I300L133-I159 PolarHBondContact O-N 3.21Å; L134-I159 CarbonylContact C-O 3.56Å; L134-I159 VanDerWaalsContact CA-O 3.3Å; L134-I159 WeakPolarHBondContact CA-O 3.47Å; L134-I159 HydrophobicContact CD1-CB 4.3Å; L134-I159 HydrophobicContact CD1-CG2 4.06Å; I135-I159 PolarHBondContact N-O 2.93Å; I159-I263 HydrophobicContact CD1-CD1 3.86Å; I159-V273 HydrophobicContact CG2-CB 4Å; I159-V273 HydrophobicContact CG2-CG1 4.35Å; I159-V273 HydrophobicContact CG2-CG2 4.05Å; I159-L295 HydrophobicContact CD1-CD2 4Å; I159-I300 HydrophobicContact CD1-CG1 4.33Å; I159-I300 HydrophobicContact CG1-CD1 3.99Å; I159-I300 HydrophobicContact CG1-CG1 4.02Å; I159-I300 HydrophobicContact CG2-CD1 4.32Å
160G98.9Very high98.5Very high0 Ų025.4 Ų25.40%015%0.147CC..EExtended strand (participates in β ladder)trans-92.8142.4167.800000110.4I135 T144 G162 V273 S274I135-G160 CarbonylContact O-C 3.56Å; I135-G160 WeakPolarHBondContact O-CA 3.45Å; T144-G160 WeakPolarHBondContact OG1-CA 3.42Å; G160-G162 PolarHBondContact O-N 2.86Å; G160-G162 VanDerWaalsContact O-N 3.1Å; G160-V273 WeakPolarHBondContact O-CB 3.32Å; G160-S274 PolarHBondContact N-O 3.38Å; G160-S274 VanDerWaalsContact N-O 3.11Å; G160-S274 PolarHBondContact O-N 3.23Å
161S98.9Very high98.5Very high2 Ų227.1 Ų27.11%0.01415%0.151CC..  trans-56.1-30177.163.40000112.6I135 N164I135-S161 PolarHBondContact O-N 2.94Å; S161-N164 WeakPolarHBondContact O-CB 3.39Å; S161-N164 PolarHBondContact O-N 3.25Å
162G98.4Very high98.6Very high0 Ų032.1 Ų32.10%017%0.169CC..THydrogen-bonded Turntrans52.6-144.8168.600000113.4G160 N164 S290G160-G162 PolarHBondContact O-N 2.86Å; G160-G162 VanDerWaalsContact O-N 3.1Å; G162-N164 PolarHBondContact O-N 2.87Å; G162-S290 VanDerWaalsContact CA-OG 3.22Å; G162-S290 WeakPolarHBondContact CA-OG 3.12Å
163C98.8Very high98.7Very high0 Ų029.8 Ų29.80%014%0.142CC..THydrogen-bonded Turntrans-8216.9-176.7-63.80000114.7L165 D166 S167 I189 E192 P272 S290C163-L165 VanDerWaalsContact C-N 3.29Å; C163-L165 PolarHBondContact O-N 2.85Å; C163-D166 WeakPolarHBondContact CA-OD2 3.28Å; C163-D166 HydrophobicContact CB-CB 4.18Å; C163-D166 PolarHBondContact O-N 3.13Å; C163-S167 VanDerWaalsContact O-CB 3.3Å; C163-S167 WeakPolarHBondContact O-CB 3.47Å; C163-S167 PolarHBondContact O-N 3.5Å; C163-S167 PolarHBondContact O-OG 3.5Å; C163-I189 HydrophobicContact CB-CB 4.41Å; C163-I189 HydrophobicContact CB-CG2 4.27Å; C163-I189 WeakPolarHBondContact CB-O 3.27Å; C163-E192 PolarHBondContact SG-O 3.45Å; C163-E192 VanDerWaalsContact SG-O 3.36Å; C163-P272 CarbonylContact C-O 3.58Å; C163-P272 VanDerWaalsContact C-O 3.31Å; C163-P272 PolarHBondContact N-O 2.69Å; C163-S290 PolarHBondContact N-OG 3.27Å; C163-S290 PolarHBondContact SG-OG 2.81Å
164N98.9Very high98.7Very high14 Ų1429.1 Ų29.18%0.07514%0.139CC..Hα-helixtrans-62.6-40.8175.9-166.875.4000110.6S161 G162 A168 S255 L259 H271 P272S161-N164 WeakPolarHBondContact O-CB 3.39Å; S161-N164 PolarHBondContact O-N 3.25Å; G162-N164 PolarHBondContact O-N 2.87Å; N164-A168 WeakPolarHBondContact O-CB 3.37Å; N164-A168 PolarHBondContact O-N 3.48Å; N164-A168 VanDerWaalsContact O-N 3.09Å; N164-S255 PolarHBondContact ND2-OG 2.98Å; N164-L259 HydrophobicContact CB-CD1 4.43Å; N164-L259 HydrophobicContact CB-CD2 4.28Å; N164-H271 PolarHBondContact OD1-ND1 2.85Å; N164-H271 VanDerWaalsContact OD1-ND1 3.14Å; N164-P272 PolarHBondContact N-O 2.92Å
165L98.7Very high98.7Very high13 Ų1326.2 Ų26.27%0.06812%0.121CC..Hα-helixtrans-71.5-40.4175.1-179.757.9000112.3C163 S167 A168 R169 G251 I252C163-L165 VanDerWaalsContact C-N 3.29Å; C163-L165 PolarHBondContact O-N 2.85Å; L165-S167 VanDerWaalsContact C-N 3.34Å; L165-A168 WeakPolarHBondContact O-CB 3.47Å; L165-A168 PolarHBondContact O-N 3.25Å; L165-R169 WeakPolarHBondContact O-CG 3.25Å; L165-R169 PolarHBondContact O-N 3.45Å; L165-G251 WeakPolarHBondContact CD1-O 3.38Å; L165-I252 HydrophobicContact CD2-CB 3.83Å; L165-I252 HydrophobicContact CD2-CD1 4.13Å
166D98.7Very high98.7Very high4 Ų426.8 Ų26.82%0.02113%0.125CC..Hα-helixtrans-64.8-41.7180-55.1-89.7000110.8C163 A168 R169 F170 I189 H193 V234C163-D166 WeakPolarHBondContact CA-OD2 3.28Å; C163-D166 HydrophobicContact CB-CB 4.18Å; C163-D166 PolarHBondContact O-N 3.13Å; D166-A168 PolarHBondContact O-N 3.19Å; D166-R169 PolarHBondContact O-N 3.47Å; D166-R169 IonicContact OD1-NH1 3.84Å; D166-F170 WeakPolarHBondContact O-CB 3.45Å; D166-F170 PolarHBondContact O-N 2.86Å; D166-I189 HydrophobicContact CB-CB 3.99Å; D166-I189 HydrophobicContact CB-CG1 4.29Å; D166-I189 HydrophobicContact CB-CG2 3.83Å; D166-H193 IonicContact OD1-CE1 2.94Å; D166-H193 IonicContact OD1-ND1 3.6Å; D166-H193 PolarHBondContact OD1-ND1 2.61Å; D166-H193 IonicContact OD2-CE1 2.7Å; D166-H193 PolarHBondContact OD2-CE1 2.94Å; D166-H193 VanDerWaalsContact OD2-CE1 3.32Å; D166-H193 IonicContact OD2-CG 3.2Å; D166-H193 IonicContact OD2-ND1 2.91Å; D166-H193 PolarHBondContact OD2-ND1 3.11Å; D166-V234 HydrophobicContact CB-CG1 3.79Å
167S98.8Very high98.7Very high6 Ų628.9 Ų28.94%0.04213%0.129CC..Hα-helixtrans-63.7-39.2172-61.50000111.9C163 L165 F170 R171 I189 P272C163-S167 VanDerWaalsContact O-CB 3.3Å; C163-S167 WeakPolarHBondContact O-CB 3.47Å; C163-S167 PolarHBondContact O-N 3.5Å; C163-S167 PolarHBondContact O-OG 3.5Å; L165-S167 VanDerWaalsContact C-N 3.34Å; S167-F170 PolarHBondContact O-N 3.05Å; S167-R171 WeakPolarHBondContact O-CB 3.36Å; S167-R171 WeakPolarHBondContact O-CD 3.22Å; S167-R171 WeakPolarHBondContact O-CG 3.05Å; S167-R171 PolarHBondContact O-N 3.35Å; S167-I189 PolarHBondContact OG-N 3.09Å; S167-I189 PolarHBondContact OG-O 2.87Å; S167-P272 VanDerWaalsContact OG-CG 3.24Å; S167-P272 WeakPolarHBondContact OG-CG 3.48Å
168A98.8Very high98.7Very high41 Ų4130.3 Ų30.334%0.33914%0.14SC..Hα-helixtrans-63.7-41.617400000112.3N164 L165 D166 Y172N164-A168 WeakPolarHBondContact O-CB 3.37Å; N164-A168 PolarHBondContact O-N 3.48Å; N164-A168 VanDerWaalsContact O-N 3.09Å; L165-A168 WeakPolarHBondContact O-CB 3.47Å; L165-A168 PolarHBondContact O-N 3.25Å; D166-A168 PolarHBondContact O-N 3.19Å; A168-Y172 WeakPolarHBondContact O-CB 3.27Å; A168-Y172 PolarHBondContact O-N 3.46Å
169R98.6Very high98.7Very high34 Ų3433.7 Ų33.713%0.12817%0.174CC..Hα-helixtrans-64.1-41.9173.9-72.2173.4179.8154.62.5111.8L165 D166 Y172 F173 V234L165-R169 WeakPolarHBondContact O-CG 3.25Å; L165-R169 PolarHBondContact O-N 3.45Å; D166-R169 PolarHBondContact O-N 3.47Å; D166-R169 IonicContact OD1-NH1 3.84Å; R169-Y172 WeakPolarHBondContact O-CB 3.25Å; R169-Y172 PolarHBondContact O-N 3.18Å; R169-F173 HydrophobicContact CB-CE2 4.4Å; R169-F173 WeakPolarHBondContact O-CD2 3.32Å; R169-F173 PolarHBondContact O-N 2.91Å; R169-V234 HydrophobicContact CB-CG1 4.18Å; R169-V234 HydrophobicContact CB-CG2 4.06Å
170F98.8Very high98.6Very high0 Ų036.9 Ų36.90%019%0.191CC..Hα-helixtrans-60.4-49.4177.9-171.2-123.9000110.9D166 S167 Y172 F173 I174 I189 P199 W201 V204 V230 V234D166-F170 WeakPolarHBondContact O-CB 3.45Å; D166-F170 PolarHBondContact O-N 2.86Å; S167-F170 PolarHBondContact O-N 3.05Å; F170-Y172 VanDerWaalsContact C-N 3.31Å; F170-Y172 PolarHBondContact O-N 2.98Å; F170-F173 PolarHBondContact O-N 3.19Å; F170-I174 HydrophobicContact CD1-CD1 3.68Å; F170-I174 HydrophobicContact CD2-CD1 4.43Å; F170-I174 HydrophobicContact CE1-CD1 3.58Å; F170-I174 HydrophobicContact CE2-CD1 4.34Å; F170-I174 HydrophobicContact CG-CD1 4.12Å; F170-I174 HydrophobicContact CZ-CD1 3.93Å; F170-I174 VanDerWaalsContact O-CG1 3.28Å; F170-I174 WeakPolarHBondContact O-CG1 3.47Å; F170-I174 PolarHBondContact O-N 2.82Å; F170-I189 HydrophobicContact CB-CD1 3.95Å; F170-I189 HydrophobicContact CB-CG1 3.69Å; F170-I189 HydrophobicContact CD1-CD1 3.88Å; F170-I189 HydrophobicContact CD1-CG1 4.24Å; F170-I189 HydrophobicContact CD2-CD1 3.77Å; F170-I189 HydrophobicContact CD2-CG1 4.45Å; F170-I189 HydrophobicContact CE1-CD1 4.24Å; F170-I189 HydrophobicContact CE2-CD1 4.17Å; F170-I189 HydrophobicContact CG-CD1 3.62Å; F170-I189 HydrophobicContact CG-CG1 3.92Å; F170-I189 HydrophobicContact CZ-CD1 4.38Å; F170-P199 HydrophobicContact CE2-CB 4.37Å; F170-P199 HydrophobicContact CZ-CB 4.2Å; F170-W201 AromaticContact CE2-CH2 3.52Å; F170-W201 HydrophobicContact CE2-CH2 3.52Å; F170-W201 AromaticContact CE2-CZ2 3.97Å; F170-W201 HydrophobicContact CE2-CZ2 3.97Å; F170-W201 AromaticContact CE2-CZ3 3.98Å; F170-W201 HydrophobicContact CE2-CZ3 3.98Å; F170-W201 HydrophobicContact CZ-CD2 4.43Å; F170-W201 AromaticContact CZ-CE3 3.97Å; F170-W201 HydrophobicContact CZ-CE3 3.97Å; F170-W201 AromaticContact CZ-CH2 3.52Å; F170-W201 HydrophobicContact CZ-CH2 3.52Å; F170-W201 HydrophobicContact CZ-CZ2 4.02Å; F170-W201 AromaticContact CZ-CZ3 3.5Å; F170-W201 HydrophobicContact CZ-CZ3 3.5Å; F170-W201 VanDerWaalsContact CZ-CZ3 3.5Å; F170-V204 HydrophobicContact CE1-CG2 3.73Å; F170-V204 HydrophobicContact CZ-CG2 4.09Å; F170-V230 HydrophobicContact CD2-CG1 3.58Å; F170-V230 HydrophobicContact CE2-CB 4.25Å; F170-V230 HydrophobicContact CE2-CG1 3.64Å; F170-V234 HydrophobicContact CB-CG2 3.87Å; F170-V234 HydrophobicContact CD2-CG2 4.05Å; F170-V234 HydrophobicContact CG-CG2 4.47Å
171R98.8Very high98.6Very high77 Ų7742.7 Ų42.729%0.29122%0.218SC..Hα-helixtrans-60.6-38.2174.7-66.7166.962.9-162.94.5112.5S167 G175 S182 E183 C185S167-R171 WeakPolarHBondContact O-CB 3.36Å; S167-R171 WeakPolarHBondContact O-CD 3.22Å; S167-R171 WeakPolarHBondContact O-CG 3.05Å; S167-R171 PolarHBondContact O-N 3.35Å; R171-G175 PolarHBondContact O-N 2.84Å; R171-S182 PolarHBondContact NE-O 2.86Å; R171-S182 PolarHBondContact NH2-O 3.39Å; R171-S182 WeakPolarHBondContact O-CB 3.47Å; R171-E183 PolarHBondContact NH2-O 3.21Å; R171-C185 HydrophobicContact CB-CB 4.32Å; R171-C185 WeakPolarHBondContact CD-O 3.33Å; R171-C185 VanDerWaalsContact CG-O 3.3Å; R171-C185 WeakPolarHBondContact CG-O 3.44Å; R171-C185 PolarHBondContact NE-O 2.93Å
172Y98.8Very high98.6Very high113 Ų11344.3 Ų44.344%0.44323%0.229SC..Hα-helixtrans-60.1-50.8173.3168.5-98.2000111.9A168 R169 F170 I174 G175 Q176A168-Y172 WeakPolarHBondContact O-CB 3.27Å; A168-Y172 PolarHBondContact O-N 3.46Å; R169-Y172 WeakPolarHBondContact O-CB 3.25Å; R169-Y172 PolarHBondContact O-N 3.18Å; F170-Y172 VanDerWaalsContact C-N 3.31Å; F170-Y172 PolarHBondContact O-N 2.98Å; Y172-I174 PolarHBondContact O-N 3.03Å; Y172-G175 PolarHBondContact O-N 3.22Å; Y172-Q176 HydrophobicContact CD1-CG 4.33Å; Y172-Q176 HydrophobicContact CD2-CG 4.32Å; Y172-Q176 HydrophobicContact CE1-CG 3.86Å; Y172-Q176 HydrophobicContact CE2-CG 3.85Å; Y172-Q176 WeakPolarHBondContact O-CG 3.28Å; Y172-Q176 PolarHBondContact O-N 2.83Å
173F98.7Very high98.5Very high41 Ų4150.8 Ų50.818%0.1826%0.259CS..Hα-helixtrans-69.2-33.8-178.6-70.4-56.4000113.1R169 F170 Q176 R177 V230 K233 V234 S237R169-F173 HydrophobicContact CB-CE2 4.4Å; R169-F173 WeakPolarHBondContact O-CD2 3.32Å; R169-F173 PolarHBondContact O-N 2.91Å; F170-F173 PolarHBondContact O-N 3.19Å; F173-Q176 PolarHBondContact O-N 2.76Å; F173-R177 WeakPolarHBondContact O-CB 3.38Å; F173-R177 PolarHBondContact O-N 3.4Å; F173-R177 VanDerWaalsContact O-N 3.07Å; F173-V230 HydrophobicContact CB-CG1 3.62Å; F173-K233 HydrophobicContact CD1-CD 4.31Å; F173-K233 HydrophobicContact CD2-CB 4.08Å; F173-K233 HydrophobicContact CE1-CB 4.4Å; F173-K233 HydrophobicContact CE1-CD 4.29Å; F173-K233 HydrophobicContact CE2-CB 3.79Å; F173-K233 HydrophobicContact CZ-CB 3.96Å; F173-V234 HydrophobicContact CD2-CG2 3.95Å; F173-V234 HydrophobicContact CE2-CG2 4.32Å; F173-S237 WeakPolarHBondContact CZ-OG 3.17Å
174I98.7Very high98.5Very high0 Ų053.8 Ų53.80%028%0.28CS..Hα-helixtrans-60.2-49.6169.3-66.7165.1000109.8F170 Y172 Q176 R177 L178 C185 V204 I206 W227 V230F170-I174 HydrophobicContact CD1-CD1 3.68Å; F170-I174 HydrophobicContact CD2-CD1 4.43Å; F170-I174 HydrophobicContact CE1-CD1 3.58Å; F170-I174 HydrophobicContact CE2-CD1 4.34Å; F170-I174 HydrophobicContact CG-CD1 4.12Å; F170-I174 HydrophobicContact CZ-CD1 3.93Å; F170-I174 VanDerWaalsContact O-CG1 3.28Å; F170-I174 WeakPolarHBondContact O-CG1 3.47Å; F170-I174 PolarHBondContact O-N 2.82Å; Y172-I174 PolarHBondContact O-N 3.03Å; I174-Q176 VanDerWaalsContact C-N 3.35Å; I174-Q176 PolarHBondContact O-N 2.84Å; I174-R177 PolarHBondContact O-N 3.41Å; I174-R177 VanDerWaalsContact O-N 3.11Å; I174-L178 HydrophobicContact CG2-CD1 3.79Å; I174-L178 HydrophobicContact CG2-CG 4.44Å; I174-L178 PolarHBondContact O-N 2.88Å; I174-C185 HydrophobicContact CB-CB 4.3Å; I174-C185 HydrophobicContact CG2-CB 3.97Å; I174-V204 HydrophobicContact CD1-CG1 3.89Å; I174-I206 HydrophobicContact CG2-CD1 4.37Å; I174-W227 HydrophobicContact CB-CZ3 4.45Å; I174-W227 HydrophobicContact CG1-CZ3 4.11Å; I174-W227 HydrophobicContact CG2-CZ3 4.21Å; I174-V230 HydrophobicContact CG1-CG1 4.21Å
175G98.6Very high98.5Very high2 Ų253.1 Ų53.12%0.02128%0.277CS..Hα-helixtrans-60.1-41.8178.800000113.1R171 Y172 R177 L178 G179 I180 C185R171-G175 PolarHBondContact O-N 2.84Å; Y172-G175 PolarHBondContact O-N 3.22Å; G175-R177 VanDerWaalsContact C-N 3.31Å; G175-R177 PolarHBondContact O-N 2.92Å; G175-L178 PolarHBondContact O-N 3.08Å; G175-G179 WeakPolarHBondContact O-CA 3.05Å; G175-G179 PolarHBondContact O-N 3.06Å; G175-I180 CarbonylContact C-O 3.36Å; G175-I180 WeakPolarHBondContact CA-O 3.33Å; G175-I180 PolarHBondContact O-N 3.33Å; G175-C185 WeakPolarHBondContact CA-SG 3.32Å
176Q98.4Very high98.5Very high125 Ų12556.4 Ų56.458%0.58429%0.292SS*.Hα-helixtrans-59.6-41.3173.7-73.9-64.2-64.100112.4Y172 F173 I174Y172-Q176 HydrophobicContact CD1-CG 4.33Å; Y172-Q176 HydrophobicContact CD2-CG 4.32Å; Y172-Q176 HydrophobicContact CE1-CG 3.86Å; Y172-Q176 HydrophobicContact CE2-CG 3.85Å; Y172-Q176 WeakPolarHBondContact O-CG 3.28Å; Y172-Q176 PolarHBondContact O-N 2.83Å; F173-Q176 PolarHBondContact O-N 2.76Å; I174-Q176 VanDerWaalsContact C-N 3.35Å; I174-Q176 PolarHBondContact O-N 2.84Å
177R98.3Very high98.5Very high94 Ų9456.6 Ų56.636%0.35530%0.295SS..Hα-helixtrans-70.9-35.3-179.6-174.1171.3174.9144.615.5112.7F173 I174 G175 E225 W227F173-R177 WeakPolarHBondContact O-CB 3.38Å; F173-R177 PolarHBondContact O-N 3.4Å; F173-R177 VanDerWaalsContact O-N 3.07Å; I174-R177 PolarHBondContact O-N 3.41Å; I174-R177 VanDerWaalsContact O-N 3.11Å; G175-R177 VanDerWaalsContact C-N 3.31Å; G175-R177 PolarHBondContact O-N 2.92Å; R177-E225 IonicContact CZ-OE2 3.82Å; R177-E225 IonicContact NE-OE2 3.32Å; R177-E225 PolarHBondContact NH1-O 2.97Å; R177-E225 PolarHBondContact NH2-O 2.92Å; R177-E225 IonicContact NH2-OE2 2.66Å; R177-E225 PolarHBondContact NH2-OE2 3.33Å; R177-W227 HydrophobicContact CB-CH2 4.4Å; R177-W227 HydrophobicContact CG-CH2 4.06Å; R177-W227 HydrophobicContact CG-CZ2 4.26Å; R177-W227 HydrophobicContact CG-CZ3 4.5Å; R177-W227 VanDerWaalsContact NE-CE2 3.34Å
178L98Very high98.5Very high71 Ų7158.9 Ų58.937%0.37231%0.306SS..Hα-helixtrans-94.7-6.7-177.8-63.8179.5000114I174 G175 I180 I206 L211 W227I174-L178 HydrophobicContact CG2-CD1 3.79Å; I174-L178 HydrophobicContact CG2-CG 4.44Å; I174-L178 PolarHBondContact O-N 2.88Å; G175-L178 PolarHBondContact O-N 3.08Å; L178-I180 HydrophobicContact CB-CD1 4.26Å; L178-I180 HydrophobicContact CB-CG1 3.94Å; L178-I180 HydrophobicContact CD1-CD1 4.36Å; L178-I206 HydrophobicContact CD1-CD1 3.92Å; L178-I206 HydrophobicContact CD1-CG1 3.81Å; L178-L211 HydrophobicContact CD1-CD1 4.43Å; L178-W227 HydrophobicContact CD1-CH2 4.19Å; L178-W227 HydrophobicContact CD2-CH2 3.83Å; L178-W227 HydrophobicContact CD2-CZ2 4.09Å; L178-W227 HydrophobicContact CG-CH2 3.91Å
179G98.3Very high98.5Very high71 Ų7157 Ų5773%0.73229%0.29SS*.THydrogen-bonded Turntrans70.528-178.300000114.3G175G175-G179 WeakPolarHBondContact O-CA 3.05Å; G175-G179 PolarHBondContact O-N 3.06Å
180I98.1Very high98.5Very high66 Ų6655.4 Ų55.434%0.33828%0.284SS..SBendtrans-127.3160.3-178.560.1172.5000111.7G175 L178 I206G175-I180 CarbonylContact C-O 3.36Å; G175-I180 WeakPolarHBondContact CA-O 3.33Å; G175-I180 PolarHBondContact O-N 3.33Å; L178-I180 HydrophobicContact CB-CD1 4.26Å; L178-I180 HydrophobicContact CB-CG1 3.94Å; L178-I180 HydrophobicContact CD1-CD1 4.36Å; I180-I206 HydrophobicContact CD1-CD1 3.64Å; I180-I206 HydrophobicContact CD1-CG1 4.02Å; I180-I206 HydrophobicContact CD1-CG2 3.73Å
181H98.7Very high98.5Very high123 Ų12355.4 Ų55.457%0.56928%0.284SS*.  trans-67138.2179.5-166.6-100.6000111.3E183 S184H181-E183 IonicContact CE1-OE2 3.89Å; H181-E183 WeakPolarHBondContact ND1-CB 3.31Å; H181-E183 PolarHBondContact ND1-N 3.24Å; H181-E183 IonicContact ND1-OE2 2.86Å; H181-E183 PolarHBondContact O-N 2.89Å; H181-E183 VanDerWaalsContact O-N 3.12Å; H181-S184 PolarHBondContact O-N 2.94Å
182S98.2Very high98.4Very high36 Ų3651.8 Ų51.825%0.25227%0.271SS..G310 helixtrans-64.3-19.1-17660.10000113.9R171 S184 C185R171-S182 PolarHBondContact NE-O 2.86Å; R171-S182 PolarHBondContact NH2-O 3.39Å; R171-S182 WeakPolarHBondContact O-CB 3.47Å; S182-S184 VanDerWaalsContact C-N 3.27Å; S182-S184 PolarHBondContact O-N 2.95Å; S182-C185 PolarHBondContact O-N 2.85Å; S182-C185 VanDerWaalsContact O-O 3.13Å
183E97.8Very high98.4Very high135 Ų13548.1 Ų48.163%0.63126%0.257SS*.G310 helixtrans-61.7-37.2172.4-169.8171.3-178.600112.1R171 H181 C185R171-E183 PolarHBondContact NH2-O 3.21Å; H181-E183 IonicContact CE1-OE2 3.89Å; H181-E183 WeakPolarHBondContact ND1-CB 3.31Å; H181-E183 PolarHBondContact ND1-N 3.24Å; H181-E183 IonicContact ND1-OE2 2.86Å; H181-E183 PolarHBondContact O-N 2.89Å; H181-E183 VanDerWaalsContact O-N 3.12Å; E183-C185 VanDerWaalsContact C-N 3.32Å
184S98.6Very high98.1Very high64 Ų6446.9 Ų46.945%0.44826%0.256SS..G310 helixtrans-87-1177.9-52.30000113.4H181 S182H181-S184 PolarHBondContact O-N 2.94Å; S182-S184 VanDerWaalsContact C-N 3.27Å; S182-S184 PolarHBondContact O-N 2.95Å
185C98.7Very high97.9Very high0 Ų051.1 Ų51.10%028%0.279CS..EExtended strand (participates in β ladder)trans-95.6123.8171.6-57.60000109.7R171 I174 G175 S182 E183 I206R171-C185 HydrophobicContact CB-CB 4.32Å; R171-C185 WeakPolarHBondContact CD-O 3.33Å; R171-C185 VanDerWaalsContact CG-O 3.3Å; R171-C185 WeakPolarHBondContact CG-O 3.44Å; R171-C185 PolarHBondContact NE-O 2.93Å; I174-C185 HydrophobicContact CB-CB 4.3Å; I174-C185 HydrophobicContact CG2-CB 3.97Å; G175-C185 WeakPolarHBondContact CA-SG 3.32Å; S182-C185 PolarHBondContact O-N 2.85Å; S182-C185 VanDerWaalsContact O-O 3.13Å; E183-C185 VanDerWaalsContact C-N 3.32Å; C185-I206 HydrophobicContact CB-CD1 3.97Å
186H98.7Very high97.8Very high82 Ų8252.3 Ų52.338%0.3829%0.287SS..EExtended strand (participates in β ladder)trans-112.2125.7178.3-53.1-67.4000109.7V204 N205H186-V204 VanDerWaalsContact O-CA 3.31Å; H186-V204 WeakPolarHBondContact O-CA 3.16Å; H186-N205 WeakPolarHBondContact CB-O 3.45Å; H186-N205 PolarHBondContact CD2-OD1 3.23Å; H186-N205 PolarHBondContact N-O 3.31Å; H186-N205 PolarHBondContact O-N 2.85Å
187G98.3Very high97.8Very high8 Ų846.6 Ų46.68%0.08226%0.261CS..  trans-172.4145.2179.600000109.4
188L98.6Very high97.8Very high54 Ų5442.4 Ų42.428%0.28325%0.245SC..  trans-118.5135.6-176.1-68.2170.8000110.3L190 V200 P272 P292L188-L190 HydrophobicContact CB-CD2 4.16Å; L188-L190 HydrophobicContact CB-CG 4.45Å; L188-V200 HydrophobicContact CB-CB 4.44Å; L188-V200 HydrophobicContact CB-CG2 4.42Å; L188-V200 PolarHBondContact O-N 2.82Å; L188-P272 HydrophobicContact CD2-CB 4.45Å; L188-P272 HydrophobicContact CD2-CG 4.13Å; L188-P292 HydrophobicContact CD1-CG 3.85Å
189I98.8Very high97.9Very high0 Ų039.7 Ų39.70%023%0.232CC..EExtended strand (participates in β ladder)trans-104.6124.1160.7-57.3-56.1000107.1C163 D166 S167 F170 V198 P199C163-I189 HydrophobicContact CB-CB 4.41Å; C163-I189 HydrophobicContact CB-CG2 4.27Å; C163-I189 WeakPolarHBondContact CB-O 3.27Å; D166-I189 HydrophobicContact CB-CB 3.99Å; D166-I189 HydrophobicContact CB-CG1 4.29Å; D166-I189 HydrophobicContact CB-CG2 3.83Å; S167-I189 PolarHBondContact OG-N 3.09Å; S167-I189 PolarHBondContact OG-O 2.87Å; F170-I189 HydrophobicContact CB-CD1 3.95Å; F170-I189 HydrophobicContact CB-CG1 3.69Å; F170-I189 HydrophobicContact CD1-CD1 3.88Å; F170-I189 HydrophobicContact CD1-CG1 4.24Å; F170-I189 HydrophobicContact CD2-CD1 3.77Å; F170-I189 HydrophobicContact CD2-CG1 4.45Å; F170-I189 HydrophobicContact CE1-CD1 4.24Å; F170-I189 HydrophobicContact CE2-CD1 4.17Å; F170-I189 HydrophobicContact CG-CD1 3.62Å; F170-I189 HydrophobicContact CG-CG1 3.92Å; F170-I189 HydrophobicContact CZ-CD1 4.38Å; I189-V198 CarbonylContact C-O 3.5Å; I189-V198 WeakPolarHBondContact CA-O 3.14Å; I189-P199 HydrophobicContact CD1-CB 3.72Å
190L98.7Very high97.9Very high1 Ų136.4 Ų36.41%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-115.4-179.4179.8-57.1-171000111.1L188 S197 V198 V200 P272 S290 P292 V306 L308 L316L188-L190 HydrophobicContact CB-CD2 4.16Å; L188-L190 HydrophobicContact CB-CG 4.45Å; L190-S197 WeakPolarHBondContact O-CA 3.42Å; L190-V198 PolarHBondContact N-O 3.33Å; L190-V198 PolarHBondContact O-N 3.43Å; L190-V200 HydrophobicContact CB-CG2 4.44Å; L190-V200 HydrophobicContact CD1-CG2 3.65Å; L190-V200 HydrophobicContact CG-CG2 3.7Å; L190-P272 HydrophobicContact CD2-CB 3.96Å; L190-S290 WeakPolarHBondContact CB-O 3.32Å; L190-P292 HydrophobicContact CD2-CG 3.92Å; L190-V306 HydrophobicContact CD1-CG2 4.43Å; L190-L308 HydrophobicContact CD1-CD2 4.41Å; L190-L316 HydrophobicContact CB-CD1 4.35Å
191G98.3Very high97.9Very high0 Ų034 Ų340%018%0.184CC..BIsolated β-bridgetrans81.5-147.8176.600000113.4S290 L316G191-S290 PolarHBondContact N-O 3.07Å; G191-S290 VanDerWaalsContact O-CB 3.22Å; G191-S290 WeakPolarHBondContact O-CB 3.3Å; G191-S290 PolarHBondContact O-N 3.16Å; G191-S290 PolarHBondContact O-OG 2.96Å; G191-L316 VanDerWaalsContact CA-CD1 3.46Å
192E98.3Very high97.9Very high2 Ų229.9 Ų29.91%0.00917%0.17CC..  trans-59.8137.2174.8177.5-171.3-149.900111.5R106 D141 C163 G194 S196 S197 S319 L323R106-E192 IonicContact CZ-OE1 3.13Å; R106-E192 IonicContact NH1-OE1 2.76Å; R106-E192 PolarHBondContact NH1-OE1 2.87Å; R106-E192 IonicContact NH2-OE1 2.61Å; R106-E192 PolarHBondContact NH2-OE1 3.1Å; D141-E192 WeakPolarHBondContact OD2-CA 3.46Å; C163-E192 PolarHBondContact SG-O 3.45Å; C163-E192 VanDerWaalsContact SG-O 3.36Å; E192-G194 VanDerWaalsContact C-N 3.29Å; E192-G194 PolarHBondContact O-N 3.34Å; E192-S196 VanDerWaalsContact CB-OG 3.28Å; E192-S196 WeakPolarHBondContact CB-OG 3.22Å; E192-S196 WeakPolarHBondContact OE2-CA 3.24Å; E192-S196 VanDerWaalsContact OE2-CB 3.25Å; E192-S196 WeakPolarHBondContact OE2-CB 3.3Å; E192-S196 PolarHBondContact OE2-N 2.97Å; E192-S196 PolarHBondContact OE2-OG 3.31Å; E192-S197 WeakPolarHBondContact O-CA 3.28Å; E192-S197 WeakPolarHBondContact O-CB 3.46Å; E192-S319 VanDerWaalsContact CB-OG 3.28Å; E192-S319 WeakPolarHBondContact CB-OG 3.24Å; E192-S319 PolarHBondContact N-OG 3.31Å; E192-L323 HydrophobicContact CB-CD1 4.09Å; E192-L323 HydrophobicContact CB-CD2 4.4Å; E192-L323 HydrophobicContact CB-CG 4.32Å; E192-L323 HydrophobicContact CG-CD2 4.05Å; E192-L323 HydrophobicContact CG-CG 4.48Å
193H97.2Very high97.8Very high36 Ų3629.9 Ų29.917%0.16718%0.176CC..SBendtrans-71.587.3158.2173.858.9000109.5N138 V140 D141 D166N138-H193 PolarHBondContact OD1-CD2 2.94Å; V140-H193 HydrophobicContact CG1-CB 3.54Å; D141-H193 PolarHBondContact OD2-N 2.82Å; D166-H193 IonicContact OD1-CE1 2.94Å; D166-H193 IonicContact OD1-ND1 3.6Å; D166-H193 PolarHBondContact OD1-ND1 2.61Å; D166-H193 IonicContact OD2-CE1 2.7Å; D166-H193 PolarHBondContact OD2-CE1 2.94Å; D166-H193 VanDerWaalsContact OD2-CE1 3.32Å; D166-H193 IonicContact OD2-CG 3.2Å; D166-H193 IonicContact OD2-ND1 2.91Å; D166-H193 PolarHBondContact OD2-ND1 3.11Å
194G93.6Very high97.9Very high15 Ų1523.5 Ų23.516%0.15515%0.146CC..SBendtrans160.4-152-175.600000113.9E192 S196 S197E192-G194 VanDerWaalsContact C-N 3.29Å; E192-G194 PolarHBondContact O-N 3.34Å; G194-S196 VanDerWaalsContact C-N 3.3Å; G194-S196 PolarHBondContact O-N 2.77Å; G194-S197 VanDerWaalsContact O-CB 3.27Å; G194-S197 WeakPolarHBondContact O-CB 3.29Å; G194-S197 PolarHBondContact O-N 3.47Å; G194-S197 VanDerWaalsContact O-N 3.16Å; G194-S197 PolarHBondContact O-OG 2.98Å
195D94.3Very high97.9Very high89 Ų8922.3 Ų22.348%0.47613%0.134SC..THydrogen-bonded Turntrans-67.9-27.6-168.8-59.3-18.7000113.1I235 Y239D195-I235 WeakPolarHBondContact OD1-CG2 3.22Å; D195-Y239 WeakPolarHBondContact OD1-CE2 3.49Å; D195-Y239 PolarHBondContact OD1-OH 3.49Å; D195-Y239 PolarHBondContact OD2-OH 2.63Å
196S97.1Very high97.9Very high26 Ų2624.1 Ų24.118%0.18214%0.143CC..THydrogen-bonded Turntrans-95.215.6176.1740000114.2E192 G194 S319E192-S196 VanDerWaalsContact CB-OG 3.28Å; E192-S196 WeakPolarHBondContact CB-OG 3.22Å; E192-S196 WeakPolarHBondContact OE2-CA 3.24Å; E192-S196 VanDerWaalsContact OE2-CB 3.25Å; E192-S196 WeakPolarHBondContact OE2-CB 3.3Å; E192-S196 PolarHBondContact OE2-N 2.97Å; E192-S196 PolarHBondContact OE2-OG 3.31Å; G194-S196 VanDerWaalsContact C-N 3.3Å; G194-S196 PolarHBondContact O-N 2.77Å; S196-S319 VanDerWaalsContact O-CB 3.23Å; S196-S319 WeakPolarHBondContact O-CB 3.41Å; S196-S319 PolarHBondContact O-OG 3.14Å; S196-S319 VanDerWaalsContact O-OG 3.07Å; S196-S319 WeakPolarHBondContact OG-CA 3.12Å; S196-S319 WeakPolarHBondContact OG-CB 3.48Å; S196-S319 PolarHBondContact OG-OG 2.99Å
197S98.1Very high97.9Very high6 Ų624.6 Ų24.64%0.04216%0.162CC..  trans-58.1149.4173.663.60000112.2L190 E192 G194 H231L190-S197 WeakPolarHBondContact O-CA 3.42Å; E192-S197 WeakPolarHBondContact O-CA 3.28Å; E192-S197 WeakPolarHBondContact O-CB 3.46Å; G194-S197 VanDerWaalsContact O-CB 3.27Å; G194-S197 WeakPolarHBondContact O-CB 3.29Å; G194-S197 PolarHBondContact O-N 3.47Å; G194-S197 VanDerWaalsContact O-N 3.16Å; G194-S197 PolarHBondContact O-OG 2.98Å; S197-H231 PolarHBondContact O-CE1 3.04Å; S197-H231 PolarHBondContact O-NE2 3.28Å; S197-H231 PolarHBondContact OG-NE2 3.24Å
198V98.7Very high97.8Very high5 Ų526.8 Ų26.83%0.0319%0.185CC..EExtended strand (participates in β ladder)trans-117.1115.4-172-174.80000111I189 L190 C315 L316I189-V198 CarbonylContact C-O 3.5Å; I189-V198 WeakPolarHBondContact CA-O 3.14Å; L190-V198 PolarHBondContact N-O 3.33Å; L190-V198 PolarHBondContact O-N 3.43Å; V198-C315 HydrophobicContact CG1-CB 3.9Å; V198-C315 HydrophobicContact CG2-CB 3.89Å; V198-L316 HydrophobicContact CG2-CB 4.32Å; V198-L316 HydrophobicContact CG2-CD1 4.35Å
199P98.5Very high97.8Very high14 Ų1428 Ų289%0.09119%0.194CC..EExtended strand (participates in β ladder)trans-76.9121.3171.532.4-31.6000109.9F170 I189 W201 H231F170-P199 HydrophobicContact CE2-CB 4.37Å; F170-P199 HydrophobicContact CZ-CB 4.2Å; I189-P199 HydrophobicContact CD1-CB 3.72Å; P199-W201 VanDerWaalsContact C-N 3.32Å; P199-W201 HydrophobicContact CB-CD2 4.49Å; P199-W201 HydrophobicContact CB-CZ2 4.25Å; P199-W201 PolarHBondContact O-N 2.71Å; P199-W201 VanDerWaalsContact O-N 3.1Å; P199-H231 HydrophobicContact CB-CB 4.07Å; P199-H231 HydrophobicContact CG-CB 3.94Å
200V98.6Very high97.8Very high2 Ų229.9 Ų29.91%0.01221%0.206CC..  trans-87.976.1178.3-172.80000109.1L188 L190 S202 G203 V306 L308 E312L188-V200 HydrophobicContact CB-CB 4.44Å; L188-V200 HydrophobicContact CB-CG2 4.42Å; L188-V200 PolarHBondContact O-N 2.82Å; L190-V200 HydrophobicContact CB-CG2 4.44Å; L190-V200 HydrophobicContact CD1-CG2 3.65Å; L190-V200 HydrophobicContact CG-CG2 3.7Å; V200-S202 WeakPolarHBondContact CG1-OG 3.44Å; V200-S202 PolarHBondContact O-N 2.83Å; V200-G203 PolarHBondContact O-N 2.82Å; V200-V306 HydrophobicContact CG1-CG1 4.21Å; V200-L308 HydrophobicContact CB-CD2 4.47Å; V200-L308 HydrophobicContact CG1-CD2 3.73Å; V200-L308 HydrophobicContact CG2-CD2 3.86Å; V200-E312 WeakPolarHBondContact CA-OE1 3.47Å
201W98.5Very high97.8Very high15 Ų1530.7 Ų30.76%0.05721%0.21CC..G310 helixtrans-56.9-33.6-179.6-69.6118.1000112.7F170 P199 G203 V204 I218 W227 E228 V230 H231 E312F170-W201 AromaticContact CE2-CH2 3.52Å; F170-W201 HydrophobicContact CE2-CH2 3.52Å; F170-W201 AromaticContact CE2-CZ2 3.97Å; F170-W201 HydrophobicContact CE2-CZ2 3.97Å; F170-W201 AromaticContact CE2-CZ3 3.98Å; F170-W201 HydrophobicContact CE2-CZ3 3.98Å; F170-W201 HydrophobicContact CZ-CD2 4.43Å; F170-W201 AromaticContact CZ-CE3 3.97Å; F170-W201 HydrophobicContact CZ-CE3 3.97Å; F170-W201 AromaticContact CZ-CH2 3.52Å; F170-W201 HydrophobicContact CZ-CH2 3.52Å; F170-W201 HydrophobicContact CZ-CZ2 4.02Å; F170-W201 AromaticContact CZ-CZ3 3.5Å; F170-W201 HydrophobicContact CZ-CZ3 3.5Å; F170-W201 VanDerWaalsContact CZ-CZ3 3.5Å; P199-W201 VanDerWaalsContact C-N 3.32Å; P199-W201 HydrophobicContact CB-CD2 4.49Å; P199-W201 HydrophobicContact CB-CZ2 4.25Å; P199-W201 PolarHBondContact O-N 2.71Å; P199-W201 VanDerWaalsContact O-N 3.1Å; W201-G203 PolarHBondContact O-N 3.45Å; W201-V204 HydrophobicContact CE3-CG2 3.95Å; W201-V204 HydrophobicContact CZ3-CG2 4.45Å; W201-V204 PolarHBondContact O-N 2.66Å; W201-I218 HydrophobicContact CE3-CD1 4.36Å; W201-I218 HydrophobicContact CE3-CG1 4.17Å; W201-I218 HydrophobicContact CZ3-CD1 4.44Å; W201-I218 HydrophobicContact CZ3-CG1 4.36Å; W201-W227 HydrophobicContact CH2-CB 3.87Å; W201-W227 HydrophobicContact CH2-CE3 4.49Å; W201-W227 WeakPolarHBondContact CH2-O 3.46Å; W201-W227 HydrophobicContact CZ2-CB 4.5Å; W201-W227 WeakPolarHBondContact CZ2-O 3.31Å; W201-W227 HydrophobicContact CZ3-CB 4.03Å; W201-W227 HydrophobicContact CZ3-CE3 4.18Å; W201-E228 PolarHBondContact NE1-OE2 3.37Å; W201-E228 VanDerWaalsContact NE1-OE2 3.09Å; W201-V230 HydrophobicContact CH2-CB 4.24Å; W201-H231 HydrophobicContact CZ2-CB 4.37Å; W201-E312 PolarHBondContact N-OE1 2.91Å
202S98.1Very high97.7Very high38 Ų3833.6 Ų33.627%0.26622%0.223SC..G310 helixtrans-60.5-24.4175.264.70000114.1V200 E312V200-S202 WeakPolarHBondContact CG1-OG 3.44Å; V200-S202 PolarHBondContact O-N 2.83Å; S202-E312 WeakPolarHBondContact CB-OE1 3.31Å; S202-E312 WeakPolarHBondContact CB-OE2 3.35Å; S202-E312 PolarHBondContact N-OE1 2.87Å; S202-E312 VanDerWaalsContact OG-CD 3.29Å; S202-E312 PolarHBondContact OG-OE1 3.25Å; S202-E312 VanDerWaalsContact OG-OE1 3.07Å; S202-E312 PolarHBondContact OG-OE2 2.77Å
203G97.7Very high97.7Very high36 Ų3639.4 Ų39.437%0.37125%0.254SS..G310 helixtrans-99.5-3.7179.800000114.8V200 W201 N205V200-G203 PolarHBondContact O-N 2.82Å; W201-G203 PolarHBondContact O-N 3.45Å; G203-N205 PolarHBondContact O-N 3.22Å; G203-N205 PolarHBondContact O-ND2 3.3Å
204V98.6Very high97.7Very high1 Ų143.7 Ų43.71%0.00628%0.278CS..  trans-73.6123.9-175.7-177.50000110.4F170 I174 H186 W201 L211F170-V204 HydrophobicContact CE1-CG2 3.73Å; F170-V204 HydrophobicContact CZ-CG2 4.09Å; I174-V204 HydrophobicContact CD1-CG1 3.89Å; H186-V204 VanDerWaalsContact O-CA 3.31Å; H186-V204 WeakPolarHBondContact O-CA 3.16Å; W201-V204 HydrophobicContact CE3-CG2 3.95Å; W201-V204 HydrophobicContact CZ3-CG2 4.45Å; W201-V204 PolarHBondContact O-N 2.66Å; V204-L211 HydrophobicContact CG1-CB 4.43Å; V204-L211 HydrophobicContact CG1-CD1 3.64Å; V204-L211 HydrophobicContact CG1-CG 3.99Å; V204-L211 PolarHBondContact O-N 3.32Å
205N98.8Very high97.9Very high39 Ų3944.1 Ų44.121%0.20928%0.276CS..EExtended strand (participates in β ladder)trans-152.2156.5-177.271.891.1000113H186 G203 G208 V209H186-N205 WeakPolarHBondContact CB-O 3.45Å; H186-N205 PolarHBondContact CD2-OD1 3.23Å; H186-N205 PolarHBondContact N-O 3.31Å; H186-N205 PolarHBondContact O-N 2.85Å; G203-N205 PolarHBondContact O-N 3.22Å; G203-N205 PolarHBondContact O-ND2 3.3Å; N205-G208 WeakPolarHBondContact OD1-CA 3.38Å; N205-G208 PolarHBondContact OD1-N 3.01Å; N205-V209 VanDerWaalsContact CA-O 3.22Å; N205-V209 WeakPolarHBondContact CA-O 3.23Å; N205-V209 VanDerWaalsContact CB-O 3.27Å; N205-V209 WeakPolarHBondContact CB-O 3.31Å
206I98.7Very high98.1Very high37 Ų3744.2 Ų44.219%0.1928%0.282CS..EExtended strand (participates in β ladder)trans-119.6124.1168.1-53.3-55.7000107.6I174 L178 I180 C185 G208 V209 L211I174-I206 HydrophobicContact CG2-CD1 4.37Å; L178-I206 HydrophobicContact CD1-CD1 3.92Å; L178-I206 HydrophobicContact CD1-CG1 3.81Å; I180-I206 HydrophobicContact CD1-CD1 3.64Å; I180-I206 HydrophobicContact CD1-CG1 4.02Å; I180-I206 HydrophobicContact CD1-CG2 3.73Å; C185-I206 HydrophobicContact CB-CD1 3.97Å; I206-G208 PolarHBondContact O-N 2.78Å; I206-V209 PolarHBondContact N-O 3.1Å; I206-V209 WeakPolarHBondContact O-CB 3.35Å; I206-V209 PolarHBondContact O-N 3.29Å; I206-L211 HydrophobicContact CG1-CD2 4.32Å
207A97.9Very high98.1Very high93 Ų9346.3 Ų46.377%0.76929%0.291SS*.THydrogen-bonded Turntrans49.933.5-177.900000113.9V209A207-V209 VanDerWaalsContact C-N 3.32Å; A207-V209 PolarHBondContact O-N 3.2Å
208G97.9Very high98.1Very high54 Ų5446.2 Ų46.256%0.55729%0.29SS*.THydrogen-bonded Turntrans83.1-4.3-178.600000115.6N205 I206 P210N205-G208 WeakPolarHBondContact OD1-CA 3.38Å; N205-G208 PolarHBondContact OD1-N 3.01Å; I206-G208 PolarHBondContact O-N 2.78Å; G208-P210 VanDerWaalsContact O-CD 3.25Å; G208-P210 WeakPolarHBondContact O-CD 3.28Å
209V98.6Very high97.9Very high78 Ų7846.6 Ų46.647%0.47330%0.295SS..EExtended strand (participates in β ladder)trans-81.6112173.8-177.10000109.1N205 I206 A207 L211 L214N205-V209 VanDerWaalsContact CA-O 3.22Å; N205-V209 WeakPolarHBondContact CA-O 3.23Å; N205-V209 VanDerWaalsContact CB-O 3.27Å; N205-V209 WeakPolarHBondContact CB-O 3.31Å; I206-V209 PolarHBondContact N-O 3.1Å; I206-V209 WeakPolarHBondContact O-CB 3.35Å; I206-V209 PolarHBondContact O-N 3.29Å; A207-V209 VanDerWaalsContact C-N 3.32Å; A207-V209 PolarHBondContact O-N 3.2Å; V209-L211 PolarHBondContact O-N 2.92Å; V209-L214 HydrophobicContact CG1-CD1 4.16Å; V209-L214 HydrophobicContact CG1-CG 4.46Å
210P98.4Very high97.8Very high41 Ų4148.8 Ų48.827%0.26631%0.308SS..EExtended strand (participates in β ladder)trans-69.2130.1-178.9-18.234.1000110.8G208 K212 D213G208-P210 VanDerWaalsContact O-CD 3.25Å; G208-P210 WeakPolarHBondContact O-CD 3.28Å; P210-K212 PolarHBondContact O-N 3.41Å; P210-D213 HydrophobicContact CB-CB 4.42Å; P210-D213 WeakPolarHBondContact CD-OD2 3.47Å; P210-D213 VanDerWaalsContact CG-OD2 3.31Å; P210-D213 WeakPolarHBondContact CG-OD2 3.45Å; P210-D213 PolarHBondContact O-N 2.93Å
211L98.1Very high97.6Very high17 Ų1756.3 Ų56.39%0.08935%0.348CS..Hα-helixtrans-68.3-27.2178.6-62.5-166.2000112.1L178 V204 I206 V209 D213 L214 N215 I218 W227L178-L211 HydrophobicContact CD1-CD1 4.43Å; V204-L211 HydrophobicContact CG1-CB 4.43Å; V204-L211 HydrophobicContact CG1-CD1 3.64Å; V204-L211 HydrophobicContact CG1-CG 3.99Å; V204-L211 PolarHBondContact O-N 3.32Å; I206-L211 HydrophobicContact CG1-CD2 4.32Å; V209-L211 PolarHBondContact O-N 2.92Å; L211-D213 PolarHBondContact O-N 3.47Å; L211-L214 HydrophobicContact CD2-CD1 4.38Å; L211-L214 PolarHBondContact O-N 3.31Å; L211-L214 VanDerWaalsContact O-N 3.15Å; L211-N215 PolarHBondContact O-N 3.23Å; L211-I218 HydrophobicContact CB-CD1 3.65Å; L211-I218 HydrophobicContact CD1-CD1 4.19Å; L211-W227 HydrophobicContact CD1-CH2 4.07Å; L211-W227 HydrophobicContact CD1-CZ3 4.28Å
212K96.9Very high97.5Very high62 Ų6263.6 Ų63.627%0.2738%0.38SS..Hα-helixtrans-66.5-24.3176.1-165.3163.5-173.4166.40113.4P210 L214 N215 P216 I218P210-K212 PolarHBondContact O-N 3.41Å; K212-L214 VanDerWaalsContact C-N 3.34Å; K212-N215 CarbonylContact O-C 3.57Å; K212-N215 VanDerWaalsContact O-C 3.3Å; K212-P216 VanDerWaalsContact O-CA 3.29Å; K212-P216 WeakPolarHBondContact O-CA 3.18Å; K212-I218 HydrophobicContact CB-CG2 3.94Å; K212-I218 HydrophobicContact CG-CG2 4.05Å
213D97.8Very high97.5Very high123 Ų12362 Ų6266%0.65837%0.369SS*.Hα-helixtrans-75.5-27.7174.6-65.2-10.2000111.5P210 L211P210-D213 HydrophobicContact CB-CB 4.42Å; P210-D213 WeakPolarHBondContact CD-OD2 3.47Å; P210-D213 VanDerWaalsContact CG-OD2 3.31Å; P210-D213 WeakPolarHBondContact CG-OD2 3.45Å; P210-D213 PolarHBondContact O-N 2.93Å; L211-D213 PolarHBondContact O-N 3.47Å
214L97.8Very high97.4Very high127 Ų12765.6 Ų65.667%0.66539%0.385SS*.Hα-helixtrans-86.6-36.3178.4-56.6179.2000112.1V209 L211 K212V209-L214 HydrophobicContact CG1-CD1 4.16Å; V209-L214 HydrophobicContact CG1-CG 4.46Å; L211-L214 HydrophobicContact CD2-CD1 4.38Å; L211-L214 PolarHBondContact O-N 3.31Å; L211-L214 VanDerWaalsContact O-N 3.15Å; K212-L214 VanDerWaalsContact C-N 3.34Å
215N97.7Very high97.4Very high23 Ų2370.2 Ų70.212%0.12341%0.407CS..  trans-131.193.7175.21785.6000108.9L211 K212 D217 I218 D223L211-N215 PolarHBondContact O-N 3.23Å; K212-N215 CarbonylContact O-C 3.57Å; K212-N215 VanDerWaalsContact O-C 3.3Å; N215-D217 PolarHBondContact O-N 3.35Å; N215-D217 PolarHBondContact OD1-N 3.19Å; N215-I218 HydrophobicContact CB-CB 4.07Å; N215-I218 VanDerWaalsContact O-CB 3.22Å; N215-I218 WeakPolarHBondContact O-CB 3.37Å; N215-I218 VanDerWaalsContact O-CG2 3.23Å; N215-I218 WeakPolarHBondContact O-CG2 3.45Å; N215-I218 PolarHBondContact O-N 3.13Å; N215-I218 PolarHBondContact OD1-N 3.11Å; N215-D223 PolarHBondContact ND2-OD1 3.45Å
216P97.2Very high97.4Very high92 Ų9273.9 Ų73.960%0.59742%0.423SS*.THydrogen-bonded Turntrans-59.2-26.9-179.9-27.336.5000114.2K212 I218K212-P216 VanDerWaalsContact O-CA 3.29Å; K212-P216 WeakPolarHBondContact O-CA 3.18Å; P216-I218 VanDerWaalsContact C-N 3.34Å
217D97.6Very high97.3Very high70 Ų7072.6 Ų72.637%0.37442%0.415SS..THydrogen-bonded Turntrans-88.82.4179.4-67.2-51.3000112.7N215 G219 T220 K222 D223N215-D217 PolarHBondContact O-N 3.35Å; N215-D217 PolarHBondContact OD1-N 3.19Å; D217-G219 PolarHBondContact O-N 3.45Å; D217-T220 WeakPolarHBondContact O-CB 3.49Å; D217-T220 WeakPolarHBondContact O-CG2 3.22Å; D217-T220 PolarHBondContact O-N 3.47Å; D217-T220 PolarHBondContact O-OG1 2.69Å; D217-K222 HydrophobicContact CB-CB 4.29Å; D217-D223 WeakPolarHBondContact O-CB 3.36Å
218I97.7Very high97.3Very high4 Ų470.3 Ų70.32%0.02139%0.389CS..THydrogen-bonded Turntrans-53.1130.1-176.3-163.7170.4000112.2W201 L211 K212 N215 P216 T220 W227W201-I218 HydrophobicContact CE3-CD1 4.36Å; W201-I218 HydrophobicContact CE3-CG1 4.17Å; W201-I218 HydrophobicContact CZ3-CD1 4.44Å; W201-I218 HydrophobicContact CZ3-CG1 4.36Å; L211-I218 HydrophobicContact CB-CD1 3.65Å; L211-I218 HydrophobicContact CD1-CD1 4.19Å; K212-I218 HydrophobicContact CB-CG2 3.94Å; K212-I218 HydrophobicContact CG-CG2 4.05Å; N215-I218 HydrophobicContact CB-CB 4.07Å; N215-I218 VanDerWaalsContact O-CB 3.22Å; N215-I218 WeakPolarHBondContact O-CB 3.37Å; N215-I218 VanDerWaalsContact O-CG2 3.23Å; N215-I218 WeakPolarHBondContact O-CG2 3.45Å; N215-I218 PolarHBondContact O-N 3.13Å; N215-I218 PolarHBondContact OD1-N 3.11Å; P216-I218 VanDerWaalsContact C-N 3.34Å; I218-T220 PolarHBondContact O-N 2.85Å; I218-W227 HydrophobicContact CD1-CB 4.26Å; I218-W227 HydrophobicContact CD1-CD2 3.83Å; I218-W227 HydrophobicContact CD1-CE3 4.33Å; I218-W227 HydrophobicContact CD1-CG 3.79Å; I218-W227 HydrophobicContact CG1-CB 3.59Å; I218-W227 HydrophobicContact CG1-CD2 4.13Å; I218-W227 HydrophobicContact CG1-CG 3.53Å
219G94.8Very high97.3Very high12 Ų1270.3 Ų70.312%0.12438%0.376CS..THydrogen-bonded Turntrans77.14.7-179.900000114.7D217 D223D217-G219 PolarHBondContact O-N 3.45Å; G219-D223 PolarHBondContact N-OD2 2.76Å
220T96.3Very high97.2Very high60 Ų6067 Ų6737%0.36836%0.356SS..SBendtrans-101.2168172.678.20000111.4D217 I218 K222 D223D217-T220 WeakPolarHBondContact O-CB 3.49Å; D217-T220 WeakPolarHBondContact O-CG2 3.22Å; D217-T220 PolarHBondContact O-N 3.47Å; D217-T220 PolarHBondContact O-OG1 2.69Å; I218-T220 PolarHBondContact O-N 2.85Å; T220-K222 PolarHBondContact O-N 3.45Å; T220-K222 PolarHBondContact OG1-N 3.01Å; T220-D223 WeakPolarHBondContact O-CB 3.44Å; T220-D223 PolarHBondContact O-N 3.21Å; T220-D223 VanDerWaalsContact O-N 3.17Å
221D95.3Very high97.2Very high160 Ų16065.6 Ų65.686%0.85635%0.346SS*.THydrogen-bonded Turntrans-66.3-16.9173.7-68.6-33.7000113.5D223D221-D223 VanDerWaalsContact C-N 3.32Å
222K96.6Very high97.2Very high168 Ų16869.9 Ų69.973%0.7336%0.364SS*.THydrogen-bonded Turntrans-84.1-11.5177.1-62.7179.6-175.21730112.7D217 T220 P224D217-K222 HydrophobicContact CB-CB 4.29Å; T220-K222 PolarHBondContact O-N 3.45Å; T220-K222 PolarHBondContact OG1-N 3.01Å; K222-P224 VanDerWaalsContact O-CD 3.3Å; K222-P224 WeakPolarHBondContact O-CD 3.4Å; K222-P224 VanDerWaalsContact O-N 3.16Å
223D97.7Very high97.2Very high5 Ų572.1 Ų72.13%0.02737%0.374CS..  trans-61.6111-179.1-172.2-2.4000110.9N215 D217 G219 T220 D221 E225 Q226 W227N215-D223 PolarHBondContact ND2-OD1 3.45Å; D217-D223 WeakPolarHBondContact O-CB 3.36Å; G219-D223 PolarHBondContact N-OD2 2.76Å; T220-D223 WeakPolarHBondContact O-CB 3.44Å; T220-D223 PolarHBondContact O-N 3.21Å; T220-D223 VanDerWaalsContact O-N 3.17Å; D221-D223 VanDerWaalsContact C-N 3.32Å; D223-E225 PolarHBondContact O-N 3.04Å; D223-E225 VanDerWaalsContact O-N 3.13Å; D223-E225 VanDerWaalsContact OD1-CB 3.28Å; D223-E225 WeakPolarHBondContact OD1-CB 3.32Å; D223-E225 PolarHBondContact OD1-N 3.15Å; D223-Q226 PolarHBondContact O-N 2.72Å; D223-W227 WeakPolarHBondContact OD2-CB 3.34Å; D223-W227 PolarHBondContact OD2-N 3.43Å
224P96.2Very high97.2Very high111 Ų11166.3 Ų66.372%0.72134%0.342SS*.THydrogen-bonded Turntrans-63.7-23.5179.728.3-35.5000111.8K222K222-P224 VanDerWaalsContact O-CD 3.3Å; K222-P224 WeakPolarHBondContact O-CD 3.4Å; K222-P224 VanDerWaalsContact O-N 3.16Å
225E97.8Very high97.1Very high99 Ų9962 Ų6246%0.46332%0.32SS..THydrogen-bonded Turntrans-88.7-9.8179.5-92-164-115.600112.8R177 D223 W227R177-E225 IonicContact CZ-OE2 3.82Å; R177-E225 IonicContact NE-OE2 3.32Å; R177-E225 PolarHBondContact NH1-O 2.97Å; R177-E225 PolarHBondContact NH2-O 2.92Å; R177-E225 IonicContact NH2-OE2 2.66Å; R177-E225 PolarHBondContact NH2-OE2 3.33Å; D223-E225 PolarHBondContact O-N 3.04Å; D223-E225 VanDerWaalsContact O-N 3.13Å; D223-E225 VanDerWaalsContact OD1-CB 3.28Å; D223-E225 WeakPolarHBondContact OD1-CB 3.32Å; D223-E225 PolarHBondContact OD1-N 3.15Å; E225-W227 VanDerWaalsContact C-N 3.34Å; E225-W227 PolarHBondContact O-N 3.1Å; E225-W227 PolarHBondContact OE2-NE1 2.89Å
226Q97.7Very high97Very high115 Ų11562.5 Ų62.554%0.53733%0.325SS..  trans51.247.3177.8-52.1-177.1-1.600113.3D223 E228 N229D223-Q226 PolarHBondContact O-N 2.72Å; Q226-E228 PolarHBondContact O-N 2.91Å; Q226-N229 WeakPolarHBondContact CB-ND2 3.44Å; Q226-N229 VanDerWaalsContact O-CB 3.3Å; Q226-N229 WeakPolarHBondContact O-CB 3.45Å; Q226-N229 PolarHBondContact O-N 3.42Å; Q226-N229 PolarHBondContact OE1-ND2 3.35Å
227W98.1Very high96.7Very high10 Ų1058.9 Ų58.94%0.03830%0.302CS..THydrogen-bonded Turntrans-58.6-25.3176.8-78.784.8000113I174 R177 L178 W201 L211 I218 D223 E225 N229 V230I174-W227 HydrophobicContact CB-CZ3 4.45Å; I174-W227 HydrophobicContact CG1-CZ3 4.11Å; I174-W227 HydrophobicContact CG2-CZ3 4.21Å; R177-W227 HydrophobicContact CB-CH2 4.4Å; R177-W227 HydrophobicContact CG-CH2 4.06Å; R177-W227 HydrophobicContact CG-CZ2 4.26Å; R177-W227 HydrophobicContact CG-CZ3 4.5Å; R177-W227 VanDerWaalsContact NE-CE2 3.34Å; L178-W227 HydrophobicContact CD1-CH2 4.19Å; L178-W227 HydrophobicContact CD2-CH2 3.83Å; L178-W227 HydrophobicContact CD2-CZ2 4.09Å; L178-W227 HydrophobicContact CG-CH2 3.91Å; W201-W227 HydrophobicContact CH2-CB 3.87Å; W201-W227 HydrophobicContact CH2-CE3 4.49Å; W201-W227 WeakPolarHBondContact CH2-O 3.46Å; W201-W227 HydrophobicContact CZ2-CB 4.5Å; W201-W227 WeakPolarHBondContact CZ2-O 3.31Å; W201-W227 HydrophobicContact CZ3-CB 4.03Å; W201-W227 HydrophobicContact CZ3-CE3 4.18Å; L211-W227 HydrophobicContact CD1-CH2 4.07Å; L211-W227 HydrophobicContact CD1-CZ3 4.28Å; I218-W227 HydrophobicContact CD1-CB 4.26Å; I218-W227 HydrophobicContact CD1-CD2 3.83Å; I218-W227 HydrophobicContact CD1-CE3 4.33Å; I218-W227 HydrophobicContact CD1-CG 3.79Å; I218-W227 HydrophobicContact CG1-CB 3.59Å; I218-W227 HydrophobicContact CG1-CD2 4.13Å; I218-W227 HydrophobicContact CG1-CG 3.53Å; D223-W227 WeakPolarHBondContact OD2-CB 3.34Å; D223-W227 PolarHBondContact OD2-N 3.43Å; E225-W227 VanDerWaalsContact C-N 3.34Å; E225-W227 PolarHBondContact O-N 3.1Å; E225-W227 PolarHBondContact OE2-NE1 2.89Å; W227-N229 PolarHBondContact O-N 2.83Å; W227-N229 VanDerWaalsContact O-N 3.07Å; W227-V230 HydrophobicContact CE3-CG2 4.01Å; W227-V230 WeakPolarHBondContact O-CB 3.25Å; W227-V230 VanDerWaalsContact O-CG2 3.29Å; W227-V230 WeakPolarHBondContact O-CG2 3.41Å; W227-V230 PolarHBondContact O-N 3.02Å
228E96.9Very high96.3Very high45 Ų4556.4 Ų56.421%0.2129%0.293CS..Hα-helixtrans-55.2-27.3172.3-173.559.3-167.500113.2W201 Q226 V230 H231 K232W201-E228 PolarHBondContact NE1-OE2 3.37Å; W201-E228 VanDerWaalsContact NE1-OE2 3.09Å; Q226-E228 PolarHBondContact O-N 2.91Å; E228-V230 PolarHBondContact O-N 3.22Å; E228-H231 PolarHBondContact O-N 3.22Å; E228-H231 VanDerWaalsContact O-N 3.11Å; E228-H231 IonicContact OE1-ND1 2.73Å; E228-K232 PolarHBondContact O-N 3.15Å; E228-K232 VanDerWaalsContact O-N 3.09Å
229N97.6Very high96Very high55 Ų5562.9 Ų62.929%0.29432%0.318SS..Hα-helixtrans-63.6-22.6173.8-68.3-24.4000113.2Q226 W227 K233Q226-N229 WeakPolarHBondContact CB-ND2 3.44Å; Q226-N229 VanDerWaalsContact O-CB 3.3Å; Q226-N229 WeakPolarHBondContact O-CB 3.45Å; Q226-N229 PolarHBondContact O-N 3.42Å; Q226-N229 PolarHBondContact OE1-ND2 3.35Å; W227-N229 PolarHBondContact O-N 2.83Å; W227-N229 VanDerWaalsContact O-N 3.07Å; N229-K233 VanDerWaalsContact O-CG 3.31Å; N229-K233 WeakPolarHBondContact O-CG 3.22Å; N229-K233 PolarHBondContact O-N 3.23Å
230V98.3Very high95.9Very high8 Ų866.7 Ų66.75%0.04833%0.333CS..Hα-helixtrans-64.3-46.7172.9178.30000109.7F170 F173 I174 W201 W227 E228 K233 V234F170-V230 HydrophobicContact CD2-CG1 3.58Å; F170-V230 HydrophobicContact CE2-CB 4.25Å; F170-V230 HydrophobicContact CE2-CG1 3.64Å; F173-V230 HydrophobicContact CB-CG1 3.62Å; I174-V230 HydrophobicContact CG1-CG1 4.21Å; W201-V230 HydrophobicContact CH2-CB 4.24Å; W227-V230 HydrophobicContact CE3-CG2 4.01Å; W227-V230 WeakPolarHBondContact O-CB 3.25Å; W227-V230 VanDerWaalsContact O-CG2 3.29Å; W227-V230 WeakPolarHBondContact O-CG2 3.41Å; W227-V230 PolarHBondContact O-N 3.02Å; E228-V230 PolarHBondContact O-N 3.22Å; V230-K233 WeakPolarHBondContact O-CB 3.23Å; V230-K233 PolarHBondContact O-N 3.39Å; V230-V234 WeakPolarHBondContact O-CG2 3.46Å; V230-V234 PolarHBondContact O-N 3.29Å; V230-V234 VanDerWaalsContact O-N 3.1Å
231H98.1Very high95.8Very high11 Ų1166.8 Ų66.85%0.05133%0.33CS..Hα-helixtrans-67.3-42176.9177.7-123.6000111.8S197 P199 W201 E228 K233 V234 I235S197-H231 PolarHBondContact O-CE1 3.04Å; S197-H231 PolarHBondContact O-NE2 3.28Å; S197-H231 PolarHBondContact OG-NE2 3.24Å; P199-H231 HydrophobicContact CB-CB 4.07Å; P199-H231 HydrophobicContact CG-CB 3.94Å; W201-H231 HydrophobicContact CZ2-CB 4.37Å; E228-H231 PolarHBondContact O-N 3.22Å; E228-H231 VanDerWaalsContact O-N 3.11Å; E228-H231 IonicContact OE1-ND1 2.73Å; H231-K233 PolarHBondContact O-N 3.04Å; H231-V234 WeakPolarHBondContact O-CA 3.37Å; H231-V234 VanDerWaalsContact O-CB 3.31Å; H231-V234 WeakPolarHBondContact O-CB 3.49Å; H231-V234 PolarHBondContact O-N 2.85Å; H231-I235 PolarHBondContact O-N 3.1Å; H231-I235 VanDerWaalsContact O-N 3.11Å
232K97.5Very high95.5Very high107 Ų10762.6 Ų62.647%0.46531%0.309SS..Hα-helixtrans-54.7-40.3172.8-66.7175.4-175.7163.60112.4E228 I235 S236E228-K232 PolarHBondContact O-N 3.15Å; E228-K232 VanDerWaalsContact O-N 3.09Å; K232-I235 PolarHBondContact O-N 2.96Å; K232-S236 WeakPolarHBondContact O-CB 3.34Å; K232-S236 PolarHBondContact O-N 3.47Å; K232-S236 PolarHBondContact O-OG 3.33Å
233K97.6Very high95.3Very high110 Ų11063.6 Ų63.648%0.47831%0.314SS..Hα-helixtrans-66.2-36.3173.7-76.2175.4-179.4179.90112.9F173 N229 V230 H231 I235 S236 S237F173-K233 HydrophobicContact CD1-CD 4.31Å; F173-K233 HydrophobicContact CD2-CB 4.08Å; F173-K233 HydrophobicContact CE1-CB 4.4Å; F173-K233 HydrophobicContact CE1-CD 4.29Å; F173-K233 HydrophobicContact CE2-CB 3.79Å; F173-K233 HydrophobicContact CZ-CB 3.96Å; N229-K233 VanDerWaalsContact O-CG 3.31Å; N229-K233 WeakPolarHBondContact O-CG 3.22Å; N229-K233 PolarHBondContact O-N 3.23Å; V230-K233 WeakPolarHBondContact O-CB 3.23Å; V230-K233 PolarHBondContact O-N 3.39Å; H231-K233 PolarHBondContact O-N 3.04Å; K233-I235 VanDerWaalsContact C-N 3.34Å; K233-S236 PolarHBondContact O-N 3.17Å; K233-S236 PolarHBondContact O-OG 3.27Å; K233-S237 VanDerWaalsContact O-CB 3.28Å; K233-S237 WeakPolarHBondContact O-CB 3.5Å; K233-S237 PolarHBondContact O-N 3.06Å; K233-S237 PolarHBondContact O-OG 3.3Å
234V97.6Very high95.2Very high0 Ų070.6 Ų70.60%035%0.348CS..Hα-helixtrans-59.4-47.6175.6172.60000110.4D166 R169 F170 F173 V230 H231D166-V234 HydrophobicContact CB-CG1 3.79Å; R169-V234 HydrophobicContact CB-CG1 4.18Å; R169-V234 HydrophobicContact CB-CG2 4.06Å; F170-V234 HydrophobicContact CB-CG2 3.87Å; F170-V234 HydrophobicContact CD2-CG2 4.05Å; F170-V234 HydrophobicContact CG-CG2 4.47Å; F173-V234 HydrophobicContact CD2-CG2 3.95Å; F173-V234 HydrophobicContact CE2-CG2 4.32Å; V230-V234 WeakPolarHBondContact O-CG2 3.46Å; V230-V234 PolarHBondContact O-N 3.29Å; V230-V234 VanDerWaalsContact O-N 3.1Å; H231-V234 WeakPolarHBondContact O-CA 3.37Å; H231-V234 VanDerWaalsContact O-CB 3.31Å; H231-V234 WeakPolarHBondContact O-CB 3.49Å; H231-V234 PolarHBondContact O-N 2.85Å
235I95.3Very high95.1Very high38 Ų3869 Ų6920%0.19533%0.33CS..Hα-helixtrans-64.5-50.4177.7-57.5173000110.3D195 H231 K232 K233 S237 Y239D195-I235 WeakPolarHBondContact OD1-CG2 3.22Å; H231-I235 PolarHBondContact O-N 3.1Å; H231-I235 VanDerWaalsContact O-N 3.11Å; K232-I235 PolarHBondContact O-N 2.96Å; K233-I235 VanDerWaalsContact C-N 3.34Å; I235-S237 VanDerWaalsContact C-N 3.32Å; I235-S237 PolarHBondContact O-N 2.86Å; I235-Y239 HydrophobicContact CG2-CE2 4.21Å; I235-Y239 WeakPolarHBondContact O-CD2 3.05Å
236S94.8Very high94.7Very high33 Ų3366.5 Ų66.523%0.23133%0.331CS..Hα-helixtrans-67.3-29.5-174.978.10000113.7K232 K233 G238 Y239 E240K232-S236 WeakPolarHBondContact O-CB 3.34Å; K232-S236 PolarHBondContact O-N 3.47Å; K232-S236 PolarHBondContact O-OG 3.33Å; K233-S236 PolarHBondContact O-N 3.17Å; K233-S236 PolarHBondContact O-OG 3.27Å; S236-G238 PolarHBondContact O-N 3.48Å; S236-G238 VanDerWaalsContact O-N 3.15Å; S236-Y239 PolarHBondContact O-N 2.82Å; S236-E240 WeakPolarHBondContact CB-OE1 3.31Å; S236-E240 WeakPolarHBondContact O-CG 3.44Å; S236-E240 PolarHBondContact O-N 2.89Å; S236-E240 PolarHBondContact OG-OE1 2.61Å
237S92.4Very high94.4Very high15 Ų1565.4 Ų65.411%0.10532%0.323CS..Hα-helixtrans-53.6-39.6-175.9-73.20000113.2F173 K233 I235 M241F173-S237 WeakPolarHBondContact CZ-OG 3.17Å; K233-S237 VanDerWaalsContact O-CB 3.28Å; K233-S237 WeakPolarHBondContact O-CB 3.5Å; K233-S237 PolarHBondContact O-N 3.06Å; K233-S237 PolarHBondContact O-OG 3.3Å; I235-S237 VanDerWaalsContact C-N 3.32Å; I235-S237 PolarHBondContact O-N 2.86Å; S237-M241 WeakPolarHBondContact O-CB 3.42Å; S237-M241 WeakPolarHBondContact O-CE 3.3Å; S237-M241 WeakPolarHBondContact O-CG 3.44Å; S237-M241 PolarHBondContact O-N 2.9Å
238G89.1Confident94.1Very high18 Ų1866.9 Ų66.919%0.18633%0.333CS..Hα-helixtrans-60.7-51.2177.500000111.7S236 M241 V242S236-G238 PolarHBondContact O-N 3.48Å; S236-G238 VanDerWaalsContact O-N 3.15Å; G238-M241 PolarHBondContact O-N 3.2Å; G238-V242 VanDerWaalsContact O-CG2 3.32Å; G238-V242 WeakPolarHBondContact O-CG2 3.12Å; G238-V242 PolarHBondContact O-N 2.93Å; G238-V242 VanDerWaalsContact O-N 3.09Å
239Y90.4Very high94.1Very high141 Ų14164.9 Ų64.955%0.55332%0.324SS*.Hα-helixtrans-65.4-41.7-180-58.1-68000112.4D195 I235 S236 V242 K243D195-Y239 WeakPolarHBondContact OD1-CE2 3.49Å; D195-Y239 PolarHBondContact OD1-OH 3.49Å; D195-Y239 PolarHBondContact OD2-OH 2.63Å; I235-Y239 HydrophobicContact CG2-CE2 4.21Å; I235-Y239 WeakPolarHBondContact O-CD2 3.05Å; S236-Y239 PolarHBondContact O-N 2.82Å; Y239-V242 PolarHBondContact O-N 3.4Å; Y239-K243 WeakPolarHBondContact O-CB 3.28Å; Y239-K243 PolarHBondContact O-N 3.47Å
240E93.4Very high94.1Very high92 Ų9270 Ų7043%0.4334%0.339SS..Hα-helixtrans-61.5-47.7177.7-73.9174.1-15400111.6S236 V242 K243 M244S236-E240 WeakPolarHBondContact CB-OE1 3.31Å; S236-E240 WeakPolarHBondContact O-CG 3.44Å; S236-E240 PolarHBondContact O-N 2.89Å; S236-E240 PolarHBondContact OG-OE1 2.61Å; E240-V242 PolarHBondContact O-N 3.23Å; E240-K243 WeakPolarHBondContact O-CB 3.17Å; E240-K243 PolarHBondContact O-N 3.15Å; E240-M244 HydrophobicContact CB-CE 4.38Å; E240-M244 WeakPolarHBondContact O-CB 3.47Å; E240-M244 VanDerWaalsContact O-CG 3.25Å; E240-M244 WeakPolarHBondContact O-CG 3.21Å; E240-M244 PolarHBondContact O-N 3.19Å
241M92.6Very high94.1Very high62 Ų6271.4 Ų71.431%0.30536%0.356SS..Hα-helixtrans-63-41.6176.9-74.9-176.2-80.300112.1S237 G238 K243 M244 K245 T248S237-M241 WeakPolarHBondContact O-CB 3.42Å; S237-M241 WeakPolarHBondContact O-CE 3.3Å; S237-M241 WeakPolarHBondContact O-CG 3.44Å; S237-M241 PolarHBondContact O-N 2.9Å; G238-M241 PolarHBondContact O-N 3.2Å; M241-K243 VanDerWaalsContact C-N 3.3Å; M241-K243 PolarHBondContact O-N 3.37Å; M241-M244 PolarHBondContact O-N 2.69Å; M241-K245 WeakPolarHBondContact O-CG 3.4Å; M241-K245 PolarHBondContact O-N 3.48Å; M241-T248 HydrophobicContact CB-CG2 3.93Å; M241-T248 HydrophobicContact CE-CG2 4.02Å; M241-T248 HydrophobicContact SD-CG2 4.33Å
242V90Very high94.1Very high71 Ų7171.5 Ų71.543%0.4336%0.356SS..Hα-helixtrans-62.7-40.6175.6173.50000110.6G238 Y239 E240 M244 G246 T248G238-V242 VanDerWaalsContact O-CG2 3.32Å; G238-V242 WeakPolarHBondContact O-CG2 3.12Å; G238-V242 PolarHBondContact O-N 2.93Å; G238-V242 VanDerWaalsContact O-N 3.09Å; Y239-V242 PolarHBondContact O-N 3.4Å; E240-V242 PolarHBondContact O-N 3.23Å; V242-M244 VanDerWaalsContact C-N 3.34Å; V242-M244 PolarHBondContact O-N 2.88Å; V242-G246 WeakPolarHBondContact O-CA 3.46Å; V242-G246 PolarHBondContact O-N 3.13Å; V242-T248 HydrophobicContact CG2-CG2 4.12Å
243K92.9Very high94.1Very high189 Ų18966.5 Ų66.582%0.82234%0.335SS*.Hα-helixtrans-63.7-38.5175.2-175-179177.9-176.70112.4Y239 E240 M241Y239-K243 WeakPolarHBondContact O-CB 3.28Å; Y239-K243 PolarHBondContact O-N 3.47Å; E240-K243 WeakPolarHBondContact O-CB 3.17Å; E240-K243 PolarHBondContact O-N 3.15Å; M241-K243 VanDerWaalsContact C-N 3.3Å; M241-K243 PolarHBondContact O-N 3.37Å
244M94.3Very high94.2Very high152 Ų15266.5 Ų66.575%0.74934%0.339SS*.Hα-helixtrans-80.5-44.2-176.4-69.7175.9-17000113.7E240 M241 V242E240-M244 HydrophobicContact CB-CE 4.38Å; E240-M244 WeakPolarHBondContact O-CB 3.47Å; E240-M244 VanDerWaalsContact O-CG 3.25Å; E240-M244 WeakPolarHBondContact O-CG 3.21Å; E240-M244 PolarHBondContact O-N 3.19Å; M241-M244 PolarHBondContact O-N 2.69Å; V242-M244 VanDerWaalsContact C-N 3.34Å; V242-M244 PolarHBondContact O-N 2.88Å
245K93.8Very high94.2Very high77 Ų7766.9 Ų66.934%0.33534%0.342SS..Hα-helixtrans-121.71.6-17384.3-170.4-174.872.40114.8M241 Y247 S249M241-K245 WeakPolarHBondContact O-CG 3.4Å; M241-K245 PolarHBondContact O-N 3.48Å; K245-Y247 VanDerWaalsContact C-N 3.32Å; K245-Y247 WeakPolarHBondContact CE-O 3.21Å; K245-Y247 WeakPolarHBondContact CG-O 3.5Å; K245-Y247 VanDerWaalsContact NZ-CD2 3.33Å; K245-Y247 PolarHBondContact NZ-O 2.78Å; K245-Y247 VanDerWaalsContact O-CD1 3.27Å; K245-Y247 WeakPolarHBondContact O-CD1 3.27Å; K245-Y247 VanDerWaalsContact O-CE1 3.3Å; K245-Y247 WeakPolarHBondContact O-CE1 3.15Å; K245-Y247 PolarHBondContact O-N 2.95Å; K245-S249 PolarHBondContact NZ-OG 3.01Å; K245-S249 VanDerWaalsContact NZ-OG 3.14Å
246G91.3Very high94.4Very high47 Ų4765.1 Ų65.149%0.48533%0.333SS..SBendtrans84.7-1217700000115.9V242V242-G246 WeakPolarHBondContact O-CA 3.46Å; V242-G246 PolarHBondContact O-N 3.13Å
247Y91.1Very high94.6Very high93 Ų9363.6 Ų63.637%0.36532%0.322SS..SBendtrans-166.2165.1-177.556.4-87.8000111.9S30 K245S30-Y247 VanDerWaalsContact CB-CD2 3.5Å; K245-Y247 VanDerWaalsContact C-N 3.32Å; K245-Y247 WeakPolarHBondContact CE-O 3.21Å; K245-Y247 WeakPolarHBondContact CG-O 3.5Å; K245-Y247 VanDerWaalsContact NZ-CD2 3.33Å; K245-Y247 PolarHBondContact NZ-O 2.78Å; K245-Y247 VanDerWaalsContact O-CD1 3.27Å; K245-Y247 WeakPolarHBondContact O-CD1 3.27Å; K245-Y247 VanDerWaalsContact O-CE1 3.3Å; K245-Y247 WeakPolarHBondContact O-CE1 3.15Å; K245-Y247 PolarHBondContact O-N 2.95Å
248T91.6Very high94.9Very high41 Ų4164.7 Ų64.725%0.25233%0.327SS..  trans-105.8151165.958.10000110.2V31 M241 V242V31-T248 WeakPolarHBondContact CG2-O 3.37Å; M241-T248 HydrophobicContact CB-CG2 3.93Å; M241-T248 HydrophobicContact CE-CG2 4.02Å; M241-T248 HydrophobicContact SD-CG2 4.33Å; V242-T248 HydrophobicContact CG2-CG2 4.12Å
249S96.4Very high95.3Very high3 Ų363.9 Ų63.92%0.02132%0.318CS..  trans-155.5-61.1-176.951.10000112.8S30 K245 I252 S253S30-S249 WeakPolarHBondContact O-CB 3.31Å; K245-S249 PolarHBondContact NZ-OG 3.01Å; K245-S249 VanDerWaalsContact NZ-OG 3.14Å; S249-I252 WeakPolarHBondContact O-CG2 3.45Å; S249-I252 PolarHBondContact O-N 3.32Å; S249-S253 WeakPolarHBondContact O-CB 3.43Å; S249-S253 PolarHBondContact O-N 3.18Å; S249-S253 PolarHBondContact O-OG 2.84Å
250W97.7Very high95.7Very high161 Ų16157.1 Ų57.161%0.6129%0.292SS*.Hα-helixtrans-67.8-46.8-168-49128.2000114.5A34 I252 S253 L254A34-W250 HydrophobicContact CB-CE3 3.73Å; A34-W250 HydrophobicContact CB-CZ3 3.68Å; W250-I252 VanDerWaalsContact C-N 3.35Å; W250-I252 PolarHBondContact O-N 3.11Å; W250-S253 PolarHBondContact O-N 3.31Å; W250-S253 PolarHBondContact O-OG 3.19Å; W250-L254 WeakPolarHBondContact O-CG 3.46Å; W250-L254 PolarHBondContact O-N 2.92Å; W250-L254 VanDerWaalsContact O-N 3.1Å
251G97.6Very high96Very high39 Ų3954.5 Ų54.540%0.40228%0.28SS..Hα-helixtrans-61.7-44.2178.600000112.1L165 S255L165-G251 WeakPolarHBondContact CD1-O 3.38Å; G251-S255 PolarHBondContact O-N 2.82Å; G251-S255 VanDerWaalsContact O-N 3.1Å
252I98.1Very high96.3Very high13 Ų1351.5 Ų51.57%0.06727%0.265CS..Hα-helixtrans-68.4-35.7178.1-175.559.6000111.9V31 V136 L165 S249 W250 S255 V256V31-I252 HydrophobicContact CG1-CG1 4.46Å; V31-I252 HydrophobicContact CG1-CG2 3.99Å; V31-I252 HydrophobicContact CG2-CG2 4.06Å; V136-I252 HydrophobicContact CG1-CD1 4.04Å; V136-I252 HydrophobicContact CG1-CG1 3.68Å; L165-I252 HydrophobicContact CD2-CB 3.83Å; L165-I252 HydrophobicContact CD2-CD1 4.13Å; S249-I252 WeakPolarHBondContact O-CG2 3.45Å; S249-I252 PolarHBondContact O-N 3.32Å; W250-I252 VanDerWaalsContact C-N 3.35Å; W250-I252 PolarHBondContact O-N 3.11Å; I252-S255 WeakPolarHBondContact O-CB 3.35Å; I252-S255 PolarHBondContact O-N 3.36Å; I252-V256 HydrophobicContact CD1-CG2 4.15Å; I252-V256 HydrophobicContact CG1-CG2 4.26Å; I252-V256 WeakPolarHBondContact O-CB 3.43Å; I252-V256 VanDerWaalsContact O-CG2 3.31Å; I252-V256 WeakPolarHBondContact O-CG2 3.3Å; I252-V256 PolarHBondContact O-N 3.31Å
253S98.4Very high96.7Very high1 Ų148.2 Ų48.21%0.00725%0.245CC..Hα-helixtrans-66.5-40.3178.170.80000113.2A34 S38 S249 W250 V256 A257A34-S253 WeakPolarHBondContact O-CB 3.33Å; S38-S253 WeakPolarHBondContact OG-CB 3.34Å; S38-S253 PolarHBondContact OG-OG 3.07Å; S249-S253 WeakPolarHBondContact O-CB 3.43Å; S249-S253 PolarHBondContact O-N 3.18Å; S249-S253 PolarHBondContact O-OG 2.84Å; W250-S253 PolarHBondContact O-N 3.31Å; W250-S253 PolarHBondContact O-OG 3.19Å; S253-V256 PolarHBondContact O-N 3.26Å; S253-A257 WeakPolarHBondContact O-CB 3.46Å; S253-A257 PolarHBondContact O-N 3.4Å
254L98.7Very high96.9Very high111 Ų11140.4 Ų40.458%0.58121%0.212SC*.Hα-helixtrans-64.9-41.1174.1-67174.4000111.3W250 A257 D258W250-L254 WeakPolarHBondContact O-CG 3.46Å; W250-L254 PolarHBondContact O-N 2.92Å; W250-L254 VanDerWaalsContact O-N 3.1Å; L254-A257 PolarHBondContact O-N 3.07Å; L254-D258 WeakPolarHBondContact O-CB 3.41Å; L254-D258 PolarHBondContact O-N 2.98Å
255S98.8Very high97Very high8 Ų838.2 Ų38.26%0.05620%0.198CC..Hα-helixtrans-59.8-47173175.40000111.6N164 G251 I252 D258 L259N164-S255 PolarHBondContact ND2-OG 2.98Å; G251-S255 PolarHBondContact O-N 2.82Å; G251-S255 VanDerWaalsContact O-N 3.1Å; I252-S255 WeakPolarHBondContact O-CB 3.35Å; I252-S255 PolarHBondContact O-N 3.36Å; S255-D258 WeakPolarHBondContact O-CB 3.36Å; S255-D258 PolarHBondContact O-N 3.49Å; S255-L259 WeakPolarHBondContact O-CG 3.31Å; S255-L259 PolarHBondContact O-N 2.88Å; S255-L259 VanDerWaalsContact O-N 3.09Å
256V98.9Very high97.2Very high0 Ų037.3 Ų37.30%020%0.197CC..Hα-helixtrans-63.5-44.1178.4167.20000111.2C35 I93 L134 V136 I252 S253 D258 L259 T260C35-V256 HydrophobicContact CB-CG1 4.38Å; I93-V256 HydrophobicContact CD1-CG1 3.9Å; I93-V256 HydrophobicContact CG2-CG1 3.99Å; L134-V256 HydrophobicContact CD2-CG1 3.91Å; V136-V256 HydrophobicContact CG1-CG2 4.17Å; V136-V256 HydrophobicContact CG2-CG2 3.62Å; I252-V256 HydrophobicContact CD1-CG2 4.15Å; I252-V256 HydrophobicContact CG1-CG2 4.26Å; I252-V256 WeakPolarHBondContact O-CB 3.43Å; I252-V256 VanDerWaalsContact O-CG2 3.31Å; I252-V256 WeakPolarHBondContact O-CG2 3.3Å; I252-V256 PolarHBondContact O-N 3.31Å; S253-V256 PolarHBondContact O-N 3.26Å; V256-D258 VanDerWaalsContact C-N 3.28Å; V256-D258 PolarHBondContact O-N 3.43Å; V256-L259 PolarHBondContact O-N 2.87Å; V256-T260 WeakPolarHBondContact O-CB 3.23Å; V256-T260 PolarHBondContact O-N 3Å; V256-T260 PolarHBondContact O-OG1 2.83Å; V256-T260 VanDerWaalsContact O-OG1 3.04Å
257A98.7Very high97.6Very high1 Ų138.6 Ų38.61%0.00819%0.193CC..Hα-helixtrans-64.5-32177.500000112.7I39 K42 L44 S253 L254 E261I39-A257 HydrophobicContact CG1-CB 4.47Å; K42-A257 HydrophobicContact CD-CB 4.16Å; L44-A257 WeakPolarHBondContact CD1-O 3.41Å; S253-A257 WeakPolarHBondContact O-CB 3.46Å; S253-A257 PolarHBondContact O-N 3.4Å; L254-A257 PolarHBondContact O-N 3.07Å; A257-E261 WeakPolarHBondContact O-CB 3.02Å; A257-E261 PolarHBondContact O-N 3Å
258D98.9Very high97.9Very high39 Ų3939.7 Ų39.721%0.20920%0.196CC..Hα-helixtrans-64.7-43.9171.4-176.956.4000112.1L254 S255 V256 E261 S262 R269 H271L254-D258 WeakPolarHBondContact O-CB 3.41Å; L254-D258 PolarHBondContact O-N 2.98Å; S255-D258 WeakPolarHBondContact O-CB 3.36Å; S255-D258 PolarHBondContact O-N 3.49Å; V256-D258 VanDerWaalsContact C-N 3.28Å; V256-D258 PolarHBondContact O-N 3.43Å; D258-E261 PolarHBondContact O-N 3.09Å; D258-S262 PolarHBondContact O-N 2.98Å; D258-S262 PolarHBondContact O-OG 3.42Å; D258-R269 PolarHBondContact O-NH2 3.22Å; D258-R269 IonicContact OD1-CZ 2.77Å; D258-R269 IonicContact OD1-NH1 3.93Å; D258-R269 PolarHBondContact OD1-NH1 3.28Å; D258-R269 IonicContact OD1-NH2 3.94Å; D258-R269 PolarHBondContact OD1-NH2 3Å; D258-H271 IonicContact OD2-CE1 3.63Å; D258-H271 PolarHBondContact OD2-CE1 3.37Å; D258-H271 IonicContact OD2-ND1 3.84Å; D258-H271 PolarHBondContact OD2-ND1 2.99Å
259L98.9Very high98.3Very high0 Ų041.9 Ų41.90%020%0.2CC..Hα-helixtrans-64.8-45.9174.1-61.3177.2000111.9L134 N164 S255 V256 E261 S262 I263 H271 V273 L295L134-L259 HydrophobicContact CD1-CD1 3.99Å; L134-L259 HydrophobicContact CD2-CB 4.21Å; N164-L259 HydrophobicContact CB-CD1 4.43Å; N164-L259 HydrophobicContact CB-CD2 4.28Å; S255-L259 WeakPolarHBondContact O-CG 3.31Å; S255-L259 PolarHBondContact O-N 2.88Å; S255-L259 VanDerWaalsContact O-N 3.09Å; V256-L259 PolarHBondContact O-N 2.87Å; L259-E261 VanDerWaalsContact C-N 3.27Å; L259-E261 PolarHBondContact O-N 3.43Å; L259-S262 PolarHBondContact O-N 2.79Å; L259-I263 WeakPolarHBondContact O-CG1 3.49Å; L259-I263 PolarHBondContact O-N 3.04Å; L259-H271 HydrophobicContact CD2-CB 3.66Å; L259-V273 HydrophobicContact CD1-CG1 3.9Å; L259-V273 HydrophobicContact CD2-CG1 3.52Å; L259-V273 HydrophobicContact CG-CG1 4.38Å; L259-L295 HydrophobicContact CD2-CD1 3.66Å
260T98.6Very high98.4Very high0 Ų045.3 Ų45.30%022%0.22CC..Hα-helixtrans-56.5-42.7176.7-64.50000111.5I23 I39 L44 L91 V256 I263 L264I23-T260 HydrophobicContact CD1-CG2 3.69Å; I39-T260 HydrophobicContact CG1-CG2 4.37Å; L44-T260 HydrophobicContact CB-CG2 4.36Å; L44-T260 HydrophobicContact CD1-CG2 3.79Å; L91-T260 HydrophobicContact CD2-CG2 3.69Å; L91-T260 WeakPolarHBondContact CD2-OG1 3.47Å; V256-T260 WeakPolarHBondContact O-CB 3.23Å; V256-T260 PolarHBondContact O-N 3Å; V256-T260 PolarHBondContact O-OG1 2.83Å; V256-T260 VanDerWaalsContact O-OG1 3.04Å; T260-I263 PolarHBondContact O-N 3.25Å; T260-L264 HydrophobicContact CG2-CD1 3.67Å; T260-L264 HydrophobicContact CG2-CG 4.17Å; T260-L264 WeakPolarHBondContact O-CG 3.29Å; T260-L264 PolarHBondContact O-N 2.69Å
261E98.5Very high98.5Very high36 Ų3638 Ų3817%0.16819%0.193CC..Hα-helixtrans-62-44178.3178.1163-143.900112.1K42 L44 A257 D258 L259 I263 K265 L267K42-E261 IonicContact NZ-OE2 2.82Å; K42-E261 PolarHBondContact NZ-OE2 3.35Å; L44-E261 HydrophobicContact CD1-CB 4.01Å; L44-E261 HydrophobicContact CD2-CB 3.9Å; L44-E261 HydrophobicContact CD2-CG 4Å; A257-E261 WeakPolarHBondContact O-CB 3.02Å; A257-E261 PolarHBondContact O-N 3Å; D258-E261 PolarHBondContact O-N 3.09Å; L259-E261 VanDerWaalsContact C-N 3.27Å; L259-E261 PolarHBondContact O-N 3.43Å; E261-I263 VanDerWaalsContact C-N 3.31Å; E261-I263 PolarHBondContact O-N 3.39Å; E261-K265 HydrophobicContact CG-CD 4Å; E261-K265 WeakPolarHBondContact O-CB 3.38Å; E261-K265 PolarHBondContact O-N 2.94Å; E261-K265 IonicContact OE1-NZ 3.64Å; E261-K265 PolarHBondContact OE1-NZ 3.3Å; E261-L267 HydrophobicContact CG-CD1 3.86Å
262S98.7Very high98.5Very high0 Ų036.5 Ų36.50%018%0.176CC..Hα-helixtrans-61.8-39.8175.9-64.40000112.6D258 L259 N266 L267 R269 H271D258-S262 PolarHBondContact O-N 2.98Å; D258-S262 PolarHBondContact O-OG 3.42Å; L259-S262 PolarHBondContact O-N 2.79Å; S262-N266 WeakPolarHBondContact O-CA 3.49Å; S262-N266 PolarHBondContact O-N 3.08Å; S262-L267 PolarHBondContact O-N 3.07Å; S262-R269 VanDerWaalsContact OG-CZ 3.26Å; S262-R269 PolarHBondContact OG-NE 3.03Å; S262-R269 PolarHBondContact OG-NH2 2.89Å; S262-H271 PolarHBondContact OG-NE2 3.48Å
263I98.6Very high98.5Very high1 Ų135.9 Ų35.91%0.00517%0.173CC..Hα-helixtrans-69.8-54.4-179.7-66.2165.7000110.8L91 K132 I159 L259 T260 E261 N266 L295 G296 E297L91-I263 HydrophobicContact CD1-CD1 4.1Å; L91-I263 HydrophobicContact CD1-CG2 4.49Å; K132-I263 HydrophobicContact CG-CG2 4.45Å; I159-I263 HydrophobicContact CD1-CD1 3.86Å; L259-I263 WeakPolarHBondContact O-CG1 3.49Å; L259-I263 PolarHBondContact O-N 3.04Å; T260-I263 PolarHBondContact O-N 3.25Å; E261-I263 VanDerWaalsContact C-N 3.31Å; E261-I263 PolarHBondContact O-N 3.39Å; I263-N266 PolarHBondContact O-N 3.05Å; I263-L295 HydrophobicContact CG1-CB 4.45Å; I263-G296 WeakPolarHBondContact CA-O 3.39Å; I263-G296 CarbonylContact O-C 3.44Å; I263-E297 VanDerWaalsContact O-CA 3.25Å; I263-E297 WeakPolarHBondContact O-CA 3.47Å; I263-E297 PolarHBondContact O-N 3.22Å
264L96.9Very high98.6Very high25 Ų2535.9 Ų35.913%0.13117%0.173CC..Hα-helixtrans-74.9-31.5-171.5-65-177.6000113.3I23 L44 N90 L91 T260 N266I23-L264 HydrophobicContact CD1-CD1 3.53Å; I23-L264 HydrophobicContact CG1-CD1 3.79Å; L44-L264 HydrophobicContact CB-CD1 4.42Å; L44-L264 VanDerWaalsContact O-CD1 3.28Å; L44-L264 WeakPolarHBondContact O-CD1 3.46Å; N90-L264 HydrophobicContact CB-CD2 3.95Å; L91-L264 HydrophobicContact CB-CD2 4.3Å; T260-L264 HydrophobicContact CG2-CD1 3.67Å; T260-L264 HydrophobicContact CG2-CG 4.17Å; T260-L264 WeakPolarHBondContact O-CG 3.29Å; T260-L264 PolarHBondContact O-N 2.69Å; L264-N266 VanDerWaalsContact C-N 3.34Å
265K97.6Very high98.6Very high107 Ų10731 Ų3147%0.46515%0.147SC..THydrogen-bonded Turntrans-937.6176.2-59.2-176.5-176.2169.40113.3E261 L267E261-K265 HydrophobicContact CG-CD 4Å; E261-K265 WeakPolarHBondContact O-CB 3.38Å; E261-K265 PolarHBondContact O-N 2.94Å; E261-K265 IonicContact OE1-NZ 3.64Å; E261-K265 PolarHBondContact OE1-NZ 3.3Å; K265-L267 HydrophobicContact CB-CD1 4.47Å; K265-L267 HydrophobicContact CB-CD2 3.67Å; K265-L267 HydrophobicContact CB-CG 3.81Å; K265-L267 PolarHBondContact O-N 3.2Å
266N98.2Very high98.5Very high58 Ų5831.6 Ų31.631%0.3115%0.15SC..THydrogen-bonded Turntrans49.342.4-178.5-16117.9000113.6S262 I263 L264 R268 G296 E297S262-N266 WeakPolarHBondContact O-CA 3.49Å; S262-N266 PolarHBondContact O-N 3.08Å; I263-N266 PolarHBondContact O-N 3.05Å; L264-N266 VanDerWaalsContact C-N 3.34Å; N266-R268 PolarHBondContact O-N 3.34Å; N266-G296 WeakPolarHBondContact OD1-CA 3.49Å; N266-E297 HydrophobicContact CB-CB 4.02Å; N266-E297 VanDerWaalsContact ND2-CD 3.32Å; N266-E297 PolarHBondContact ND2-OE1 3.37Å; N266-E297 VanDerWaalsContact ND2-OE1 3.12Å; N266-E297 PolarHBondContact OD1-N 3.01Å
267L98.6Very high98.3Very high74 Ų7431.6 Ų31.639%0.38715%0.15SC..  trans-72.8-17.6-169.1-59.6-178.4000113.7E261 S262 K265 R269E261-L267 HydrophobicContact CG-CD1 3.86Å; S262-L267 PolarHBondContact O-N 3.07Å; K265-L267 HydrophobicContact CB-CD1 4.47Å; K265-L267 HydrophobicContact CB-CD2 3.67Å; K265-L267 HydrophobicContact CB-CG 3.81Å; K265-L267 PolarHBondContact O-N 3.2Å; L267-R269 HydrophobicContact CB-CG 3.9Å; L267-R269 PolarHBondContact O-N 2.91Å
268R98.6Very high98.2Very high116 Ų11636.8 Ų36.844%0.43817%0.173SC..  trans5534.5-175.8-54.6-174.26065.64.6112.3N266 I294 L295 T301 D302N266-R268 PolarHBondContact O-N 3.34Å; R268-I294 HydrophobicContact CB-CG2 3.72Å; R268-I294 HydrophobicContact CG-CG2 4.42Å; R268-L295 WeakPolarHBondContact CA-O 3.26Å; R268-L295 PolarHBondContact N-O 2.81Å; R268-T301 PolarHBondContact NH1-OG1 2.94Å; R268-T301 PolarHBondContact NH2-OG1 2.87Å; R268-D302 IonicContact CZ-OD2 3.72Å; R268-D302 IonicContact NH2-OD2 3.45Å; R268-D302 PolarHBondContact NH2-OD2 3.47Å
269R98.8Very high98Very high86 Ų8638 Ų3833%0.32519%0.194SC..EExtended strand (participates in β ladder)trans-75.9152.6173.8-69.8-170.7-58.9159.14.2110.5D258 S262 L267 H271 L295D258-R269 PolarHBondContact O-NH2 3.22Å; D258-R269 IonicContact OD1-CZ 2.77Å; D258-R269 IonicContact OD1-NH1 3.93Å; D258-R269 PolarHBondContact OD1-NH1 3.28Å; D258-R269 IonicContact OD1-NH2 3.94Å; D258-R269 PolarHBondContact OD1-NH2 3Å; S262-R269 VanDerWaalsContact OG-CZ 3.26Å; S262-R269 PolarHBondContact OG-NE 3.03Å; S262-R269 PolarHBondContact OG-NH2 2.89Å; L267-R269 HydrophobicContact CB-CG 3.9Å; L267-R269 PolarHBondContact O-N 2.91Å; R269-H271 VanDerWaalsContact CB-NE2 3.35Å; R269-H271 WeakPolarHBondContact CB-NE2 3.48Å; R269-H271 PolarHBondContact O-CD2 2.7Å; R269-L295 PolarHBondContact O-N 3.21Å
270V98.8Very high97.8Very high76 Ų7638.8 Ų38.846%0.46120%0.198SC..EExtended strand (participates in β ladder)trans-91.6127.4179.4-178.50000110P292 C293 I294 I304V270-P292 HydrophobicContact CG1-CB 3.53Å; V270-C293 CarbonylContact C-O 3.58Å; V270-C293 VanDerWaalsContact CA-O 3.28Å; V270-C293 WeakPolarHBondContact CA-O 2.84Å; V270-I294 HydrophobicContact CG2-CG1 4.17Å; V270-I304 HydrophobicContact CG1-CG1 3.98Å; V270-I304 HydrophobicContact CG2-CD1 4.48Å; V270-I304 HydrophobicContact CG2-CG1 4.25Å
271H98.9Very high97.7Very high7 Ų740.4 Ų40.43%0.03220%0.204CC..EExtended strand (participates in β ladder)trans-136138.3178.6-60.8-90.5000111.1N164 D258 L259 S262 R269 V273 P292 C293 L295N164-H271 PolarHBondContact OD1-ND1 2.85Å; N164-H271 VanDerWaalsContact OD1-ND1 3.14Å; D258-H271 IonicContact OD2-CE1 3.63Å; D258-H271 PolarHBondContact OD2-CE1 3.37Å; D258-H271 IonicContact OD2-ND1 3.84Å; D258-H271 PolarHBondContact OD2-ND1 2.99Å; L259-H271 HydrophobicContact CD2-CB 3.66Å; S262-H271 PolarHBondContact OG-NE2 3.48Å; R269-H271 VanDerWaalsContact CB-NE2 3.35Å; R269-H271 WeakPolarHBondContact CB-NE2 3.48Å; R269-H271 PolarHBondContact O-CD2 2.7Å; H271-V273 HydrophobicContact CB-CG1 3.92Å; H271-V273 PolarHBondContact O-N 3.07Å; H271-P292 WeakPolarHBondContact O-CA 3.38Å; H271-C293 PolarHBondContact N-O 3.01Å; H271-C293 PolarHBondContact O-N 2.61Å; H271-L295 HydrophobicContact CB-CD1 4.08Å
272P98.7Very high97.5Very high8 Ų841.2 Ų41.25%0.05222%0.223CC..EExtended strand (participates in β ladder)trans-77.391.2171.129.1-27.2000109.5C163 N164 S167 L188 L190C163-P272 CarbonylContact C-O 3.58Å; C163-P272 VanDerWaalsContact C-O 3.31Å; C163-P272 PolarHBondContact N-O 2.69Å; N164-P272 PolarHBondContact N-O 2.92Å; S167-P272 VanDerWaalsContact OG-CG 3.24Å; S167-P272 WeakPolarHBondContact OG-CG 3.48Å; L188-P272 HydrophobicContact CD2-CB 4.45Å; L188-P272 HydrophobicContact CD2-CG 4.13Å; L190-P272 HydrophobicContact CD2-CB 3.96Å
273V98.9Very high97.4Very high0 Ų041.6 Ų41.60%022%0.224CC..EExtended strand (participates in β ladder)trans-119.8155.5-177.6-70.70000111I159 G160 L259 H271 T275 S290 V291 C293 L295 I300I159-V273 HydrophobicContact CG2-CB 4Å; I159-V273 HydrophobicContact CG2-CG1 4.35Å; I159-V273 HydrophobicContact CG2-CG2 4.05Å; G160-V273 WeakPolarHBondContact O-CB 3.32Å; L259-V273 HydrophobicContact CD1-CG1 3.9Å; L259-V273 HydrophobicContact CD2-CG1 3.52Å; L259-V273 HydrophobicContact CG-CG1 4.38Å; H271-V273 HydrophobicContact CB-CG1 3.92Å; H271-V273 PolarHBondContact O-N 3.07Å; V273-T275 PolarHBondContact O-N 2.9Å; V273-S290 WeakPolarHBondContact O-CA 3.34Å; V273-V291 PolarHBondContact N-O 2.95Å; V273-V291 PolarHBondContact O-N 2.52Å; V273-C293 HydrophobicContact CG2-CB 3.68Å; V273-L295 HydrophobicContact CG1-CD1 4.21Å; V273-L295 HydrophobicContact CG2-CD1 4.4Å; V273-L295 HydrophobicContact CG2-CD2 4.31Å; V273-I300 HydrophobicContact CG2-CD1 4.16Å; V273-I300 HydrophobicContact CG2-CG1 4.45Å
274S98.8Very high97.3Very high0 Ų046.9 Ų46.90%025%0.253CS..EExtended strand (participates in β ladder)trans-71.3124.1-179.3-162.10000111D141 G160 L289D141-S274 WeakPolarHBondContact CA-OG 3.4Å; D141-S274 WeakPolarHBondContact OD1-CB 3.49Å; D141-S274 PolarHBondContact OD1-OG 3.06Å; G160-S274 PolarHBondContact N-O 3.38Å; G160-S274 VanDerWaalsContact N-O 3.11Å; G160-S274 PolarHBondContact O-N 3.23Å; S274-L289 WeakPolarHBondContact CA-O 3.25Å; S274-L289 PolarHBondContact OG-N 3.11Å
275T98.7Very high97.3Very high8 Ų849.2 Ų49.25%0.04926%0.263CS..EExtended strand (participates in β ladder)trans-147.2168.2178-162.30000111.1V273 S277 F288 L289 V291 I300V273-T275 PolarHBondContact O-N 2.9Å; T275-S277 PolarHBondContact O-N 3.18Å; T275-S277 VanDerWaalsContact O-N 3.11Å; T275-F288 VanDerWaalsContact C-CD1 3.46Å; T275-F288 VanDerWaalsContact O-CA 3.26Å; T275-F288 WeakPolarHBondContact O-CA 3.38Å; T275-L289 PolarHBondContact N-O 3.12Å; T275-L289 PolarHBondContact O-N 3.21Å; T275-L289 VanDerWaalsContact O-N 3.12Å; T275-V291 HydrophobicContact CG2-CG2 3.58Å; T275-I300 WeakPolarHBondContact OG1-CD1 3.41Å
276L98.1Very high97.2Very high21 Ų2147 Ų4711%0.1126%0.255CS..EExtended strand (participates in β ladder)trans-62112.6176.3-17967000110.5K155 K278 E286 I287 F288K155-L276 HydrophobicContact CD-CB 4.21Å; K155-L276 HydrophobicContact CD-CD2 3.69Å; L276-K278 HydrophobicContact CD1-CB 4.05Å; L276-K278 HydrophobicContact CG-CB 4.12Å; L276-E286 HydrophobicContact CD1-CB 3.93Å; L276-E286 HydrophobicContact CD1-CG 4.38Å; L276-I287 WeakPolarHBondContact CA-O 3.48Å; L276-F288 HydrophobicContact CB-CD2 4.38Å; L276-F288 HydrophobicContact CB-CE1 4.46Å; L276-F288 HydrophobicContact CB-CE2 3.87Å; L276-F288 HydrophobicContact CB-CZ 3.93Å; L276-F288 HydrophobicContact CD1-CD2 4.23Å; L276-F288 HydrophobicContact CD1-CE2 3.9Å; L276-F288 HydrophobicContact CG-CE2 4.47Å
277S94.9Very high97.2Very high0 Ų044.3 Ų44.30%024%0.24CC..  trans-94.2-1.6-176.461.50000114.2T275 G279 L280 I287T275-S277 PolarHBondContact O-N 3.18Å; T275-S277 VanDerWaalsContact O-N 3.11Å; S277-G279 PolarHBondContact O-N 3.01Å; S277-L280 VanDerWaalsContact O-CB 3.28Å; S277-L280 WeakPolarHBondContact O-CB 3.4Å; S277-L280 WeakPolarHBondContact O-CG 3.14Å; S277-L280 PolarHBondContact O-N 2.97Å; S277-I287 PolarHBondContact N-O 3.29Å; S277-I287 PolarHBondContact OG-O 3.37Å; S277-I287 VanDerWaalsContact OG-O 3.06Å
278K96.4Very high97.1Very high111 Ų11140.9 Ų40.948%0.48322%0.222SC..THydrogen-bonded Turntrans-50.2125.3177.4-178165.5177.4167.70112L276 N284 E285 E286L276-K278 HydrophobicContact CD1-CB 4.05Å; L276-K278 HydrophobicContact CG-CB 4.12Å; K278-N284 VanDerWaalsContact CD-O 3.27Å; K278-N284 WeakPolarHBondContact CD-O 3.49Å; K278-N284 WeakPolarHBondContact CE-O 3.43Å; K278-N284 WeakPolarHBondContact CG-O 3.32Å; K278-E285 WeakPolarHBondContact CB-O 3.28Å; K278-E286 HydrophobicContact CD-CG 3.86Å
279G94.6Very high97.1Very high63 Ų6335.3 Ų35.365%0.64920%0.201SC*.THydrogen-bonded Turntrans87.23.3-178.300000114.7S277 I283S277-G279 PolarHBondContact O-N 3.01Å; G279-I283 PolarHBondContact N-O 2.7Å
280L94.1Very high97.1Very high18 Ų1831.2 Ų31.29%0.09419%0.186CC..SBendtrans-103.3139.6173-54.8178.9000110S277 G282 I283 V291 L303S277-L280 VanDerWaalsContact O-CB 3.28Å; S277-L280 WeakPolarHBondContact O-CB 3.4Å; S277-L280 WeakPolarHBondContact O-CG 3.14Å; S277-L280 PolarHBondContact O-N 2.97Å; L280-G282 PolarHBondContact O-N 3.34Å; L280-G282 VanDerWaalsContact O-N 3.08Å; L280-I283 VanDerWaalsContact O-CB 3.28Å; L280-I283 WeakPolarHBondContact O-CB 3.3Å; L280-I283 WeakPolarHBondContact O-CG1 3.28Å; L280-I283 PolarHBondContact O-N 2.95Å; L280-V291 HydrophobicContact CD1-CG2 4.27Å; L280-L303 HydrophobicContact CD1-CD1 4.17Å; L280-L303 HydrophobicContact CD1-CD2 4.15Å; L280-L303 HydrophobicContact CD2-CD1 3.8Å; L280-L303 HydrophobicContact CD2-CD2 4.31Å
281Y95.9Very high97.1Very high33 Ų3327.7 Ų27.713%0.12916%0.164CC..THydrogen-bonded Turntrans51.637.4169.7-47.6-69.3000114.1I283 V291 V306 L308 L316 Q317Y281-I283 VanDerWaalsContact C-N 3.28Å; Y281-I283 PolarHBondContact O-N 3.3Å; Y281-V291 HydrophobicContact CE2-CG1 4.23Å; Y281-V306 WeakPolarHBondContact CE1-O 3.37Å; Y281-V306 PolarHBondContact OH-N 3.13Å; Y281-V306 PolarHBondContact OH-O 3.34Å; Y281-L308 HydrophobicContact CD1-CD1 3.95Å; Y281-L308 HydrophobicContact CE1-CD1 3.82Å; Y281-L308 HydrophobicContact CE1-CG 4.12Å; Y281-L308 HydrophobicContact CG-CD1 4.4Å; Y281-L316 HydrophobicContact CD2-CD2 3.46Å; Y281-L316 VanDerWaalsContact CD2-CD2 3.46Å; Y281-L316 HydrophobicContact CE2-CD2 3.86Å; Y281-L316 HydrophobicContact CG-CD2 3.95Å; Y281-Q317 WeakPolarHBondContact O-CG 3.23Å; Y281-Q317 PolarHBondContact O-NE2 2.66Å
282G94.6Very high97.1Very high54 Ų5427.5 Ų27.556%0.55716%0.163SC*.THydrogen-bonded Turntrans76.62.1-17900000116.2L280 N284L280-G282 PolarHBondContact O-N 3.34Å; L280-G282 VanDerWaalsContact O-N 3.08Å; G282-N284 PolarHBondContact O-ND2 3.17Å
283I96.6Very high97.1Very high7 Ų727.1 Ų27.14%0.03616%0.161CC..  trans-77.9122.8-180-58.2166.1000109.9G279 L280 Y281 I287 L289 A320G279-I283 PolarHBondContact N-O 2.7Å; L280-I283 VanDerWaalsContact O-CB 3.28Å; L280-I283 WeakPolarHBondContact O-CB 3.3Å; L280-I283 WeakPolarHBondContact O-CG1 3.28Å; L280-I283 PolarHBondContact O-N 2.95Å; Y281-I283 VanDerWaalsContact C-N 3.28Å; Y281-I283 PolarHBondContact O-N 3.3Å; I283-I287 HydrophobicContact CG2-CD1 3.96Å; I283-L289 HydrophobicContact CD1-CD2 4.04Å; I283-A320 HydrophobicContact CD1-CB 3.74Å; I283-A320 HydrophobicContact CG1-CB 4Å; I283-A320 HydrophobicContact CG2-CB 4.4Å
284N95.9Very high97.1Very high113 Ų11328.5 Ų28.560%0.60417%0.168SC*.  trans-106.9-22.4-174.5-65-55.3000113.5K278 G282K278-N284 VanDerWaalsContact CD-O 3.27Å; K278-N284 WeakPolarHBondContact CD-O 3.49Å; K278-N284 WeakPolarHBondContact CE-O 3.43Å; K278-N284 WeakPolarHBondContact CG-O 3.32Å; G282-N284 PolarHBondContact O-ND2 3.17Å
285E96.7Very high97.1Very high74 Ų7428.5 Ų28.535%0.34617%0.168SC..SBendtrans-81.7159-176.6-6366.8-148.800110.7K278 I287 W324K278-E285 WeakPolarHBondContact CB-O 3.28Å; E285-I287 HydrophobicContact CB-CD1 3.7Å; E285-I287 HydrophobicContact CB-CG1 3.86Å; E285-I287 PolarHBondContact O-N 3.22Å; E285-W324 HydrophobicContact CB-CD2 4.02Å; E285-W324 HydrophobicContact CB-CE3 3.92Å; E285-W324 HydrophobicContact CB-CH2 4.45Å; E285-W324 HydrophobicContact CB-CZ3 4.15Å; E285-W324 HydrophobicContact CG-CD2 3.83Å; E285-W324 HydrophobicContact CG-CE3 4.22Å; E285-W324 HydrophobicContact CG-CG 4.26Å; E285-W324 HydrophobicContact CG-CH2 4.38Å; E285-W324 HydrophobicContact CG-CZ2 3.98Å; E285-W324 HydrophobicContact CG-CZ3 4.48Å
286E96.6Very high97.1Very high61 Ų6128.1 Ų28.129%0.28517%0.166SC..  trans-8062.5178.1-65-172.4147.800112Y145 W148 K149 L276 K278 Q327Y145-E286 VanDerWaalsContact CD2-O 3.32Å; Y145-E286 WeakPolarHBondContact CD2-O 3.44Å; Y145-E286 HydrophobicContact CE2-CB 4.24Å; Y145-E286 WeakPolarHBondContact CE2-O 3.35Å; W148-E286 HydrophobicContact CZ3-CB 4.42Å; K149-E286 WeakPolarHBondContact CE-OE2 3.42Å; K149-E286 IonicContact NZ-OE2 2.66Å; K149-E286 PolarHBondContact NZ-OE2 3.09Å; L276-E286 HydrophobicContact CD1-CB 3.93Å; L276-E286 HydrophobicContact CD1-CG 4.38Å; K278-E286 HydrophobicContact CD-CG 3.86Å; E286-Q327 PolarHBondContact O-NE2 3.23Å
287I97.2Very high97.1Very high1 Ų131.9 Ų31.91%0.00518%0.183CC..  trans-91.9142.3-178.7-62157.2000109.2L276 S277 I283 E285 L289 A320 L323 W324L276-I287 WeakPolarHBondContact CA-O 3.48Å; S277-I287 PolarHBondContact N-O 3.29Å; S277-I287 PolarHBondContact OG-O 3.37Å; S277-I287 VanDerWaalsContact OG-O 3.06Å; I283-I287 HydrophobicContact CG2-CD1 3.96Å; E285-I287 HydrophobicContact CB-CD1 3.7Å; E285-I287 HydrophobicContact CB-CG1 3.86Å; E285-I287 PolarHBondContact O-N 3.22Å; I287-L289 HydrophobicContact CG2-CD2 4.35Å; I287-A320 HydrophobicContact CD1-CB 3.97Å; I287-A320 WeakPolarHBondContact CD1-O 3.49Å; I287-A320 HydrophobicContact CG2-CB 4.49Å; I287-L323 HydrophobicContact CG2-CB 4.05Å; I287-L323 HydrophobicContact CG2-CD1 4.15Å; I287-W324 HydrophobicContact CD1-CB 3.74Å; I287-W324 HydrophobicContact CD1-CG 4.31Å; I287-W324 HydrophobicContact CG1-CB 4.14Å; I287-W324 HydrophobicContact CG1-CE3 4.03Å
288F98.4Very high97.2Very high1 Ų136.3 Ų36.30%0.00421%0.206CC..EExtended strand (participates in β ladder)trans-100129.7166.8-82.9-116.3000108.4D141 T144 Y145 W148 T275 L276 L323D141-F288 WeakPolarHBondContact CB-O 3.49Å; D141-F288 WeakPolarHBondContact O-CB 3.3Å; T144-F288 HydrophobicContact CG2-CD1 3.39Å; T144-F288 HydrophobicContact CG2-CE1 3.67Å; T144-F288 HydrophobicContact CG2-CG 4.35Å; Y145-F288 HydrophobicContact CD2-CD2 4.03Å; Y145-F288 HydrophobicContact CD2-CE2 4.15Å; Y145-F288 HydrophobicContact CG-CD2 4.38Å; W148-F288 HydrophobicContact CB-CE2 4.35Å; W148-F288 HydrophobicContact CB-CZ 3.83Å; W148-F288 AromaticContact CD2-CE2 3.98Å; W148-F288 HydrophobicContact CD2-CE2 3.98Å; W148-F288 AromaticContact CD2-CZ 3.9Å; W148-F288 HydrophobicContact CD2-CZ 3.9Å; W148-F288 AromaticContact CE3-CE2 3.56Å; W148-F288 HydrophobicContact CE3-CE2 3.56Å; W148-F288 AromaticContact CE3-CZ 3.98Å; W148-F288 HydrophobicContact CE3-CZ 3.98Å; W148-F288 HydrophobicContact CG-CE2 4.32Å; W148-F288 AromaticContact CG-CZ 3.83Å; W148-F288 HydrophobicContact CG-CZ 3.83Å; W148-F288 HydrophobicContact CZ3-CE2 4.16Å; T275-F288 VanDerWaalsContact C-CD1 3.46Å; T275-F288 VanDerWaalsContact O-CA 3.26Å; T275-F288 WeakPolarHBondContact O-CA 3.38Å; L276-F288 HydrophobicContact CB-CD2 4.38Å; L276-F288 HydrophobicContact CB-CE1 4.46Å; L276-F288 HydrophobicContact CB-CE2 3.87Å; L276-F288 HydrophobicContact CB-CZ 3.93Å; L276-F288 HydrophobicContact CD1-CD2 4.23Å; L276-F288 HydrophobicContact CD1-CE2 3.9Å; L276-F288 HydrophobicContact CG-CE2 4.47Å; F288-L323 WeakPolarHBondContact O-CD1 3.25Å
289L98.4Very high97.3Very high0 Ų031 Ų310%018%0.183CC..EExtended strand (participates in β ladder)trans-156.1169.9171.858.270.7000109.8S274 T275 I283 I287 V291 L316 A320 L323S274-L289 WeakPolarHBondContact CA-O 3.25Å; S274-L289 PolarHBondContact OG-N 3.11Å; T275-L289 PolarHBondContact N-O 3.12Å; T275-L289 PolarHBondContact O-N 3.21Å; T275-L289 VanDerWaalsContact O-N 3.12Å; I283-L289 HydrophobicContact CD1-CD2 4.04Å; I287-L289 HydrophobicContact CG2-CD2 4.35Å; L289-V291 HydrophobicContact CD1-CG1 3.83Å; L289-V291 PolarHBondContact O-N 2.94Å; L289-L316 HydrophobicContact CD1-CD1 4.16Å; L289-L316 HydrophobicContact CD2-CD1 4.33Å; L289-A320 HydrophobicContact CD2-CB 3.64Å; L289-L323 HydrophobicContact CB-CD1 3.87Å
290S98.8Very high97.5Very high0 Ų028.7 Ų28.70%016%0.156CC..EExtended strand (participates in β ladder)trans-80.9121.1-173.7-57.10000113G162 C163 L190 G191 V273G162-S290 VanDerWaalsContact CA-OG 3.22Å; G162-S290 WeakPolarHBondContact CA-OG 3.12Å; C163-S290 PolarHBondContact N-OG 3.27Å; C163-S290 PolarHBondContact SG-OG 2.81Å; L190-S290 WeakPolarHBondContact CB-O 3.32Å; G191-S290 PolarHBondContact N-O 3.07Å; G191-S290 VanDerWaalsContact O-CB 3.22Å; G191-S290 WeakPolarHBondContact O-CB 3.3Å; G191-S290 PolarHBondContact O-N 3.16Å; G191-S290 PolarHBondContact O-OG 2.96Å; V273-S290 WeakPolarHBondContact O-CA 3.34Å
291V98.5Very high97.7Very high1 Ų130.3 Ų30.31%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-133.4158.5166.6-68.40000109.2V273 T275 L280 Y281 L289 C293V273-V291 PolarHBondContact N-O 2.95Å; V273-V291 PolarHBondContact O-N 2.52Å; T275-V291 HydrophobicContact CG2-CG2 3.58Å; L280-V291 HydrophobicContact CD1-CG2 4.27Å; Y281-V291 HydrophobicContact CE2-CG1 4.23Å; L289-V291 HydrophobicContact CD1-CG1 3.83Å; L289-V291 PolarHBondContact O-N 2.94Å; V291-C293 PolarHBondContact O-N 2.76Å; V291-C293 PolarHBondContact O-SG 2.89Å
292P98.6Very high97.8Very high3 Ų332.2 Ų32.22%0.01918%0.179CC..EExtended strand (participates in β ladder)trans-69.5119.9-178.1-13.729.1000110.7L188 L190 V270 H271 I304 V306L188-P292 HydrophobicContact CD1-CG 3.85Å; L190-P292 HydrophobicContact CD2-CG 3.92Å; V270-P292 HydrophobicContact CG1-CB 3.53Å; H271-P292 WeakPolarHBondContact O-CA 3.38Å; P292-I304 HydrophobicContact CB-CB 4.1Å; P292-I304 HydrophobicContact CB-CG1 4.3Å; P292-I304 PolarHBondContact O-N 3.18Å; P292-V306 HydrophobicContact CG-CG2 3.61Å
293C98.8Very high97.9Very high0 Ų032.8 Ų32.80%017%0.169CC..EExtended strand (participates in β ladder)trans-119.5143.4-175.8-63.60000110.8V270 H271 V273 V291 I300 D302V270-C293 CarbonylContact C-O 3.58Å; V270-C293 VanDerWaalsContact CA-O 3.28Å; V270-C293 WeakPolarHBondContact CA-O 2.84Å; H271-C293 PolarHBondContact N-O 3.01Å; H271-C293 PolarHBondContact O-N 2.61Å; V273-C293 HydrophobicContact CG2-CB 3.68Å; V291-C293 PolarHBondContact O-N 2.76Å; V291-C293 PolarHBondContact O-SG 2.89Å; C293-I300 HydrophobicContact CB-CD1 4.35Å; C293-I300 HydrophobicContact CB-CG1 4.03Å; C293-I300 HydrophobicContact CB-CG2 3.83Å; C293-D302 CarbonylContact C-O 3.58Å; C293-D302 WeakPolarHBondContact CA-O 3.47Å
294I98.8Very high97.9Very high30 Ų3035.8 Ų35.815%0.15418%0.184CC..EExtended strand (participates in β ladder)trans-81.6115.1170.4-57.8-170.7000108.4R268 V270 T301 D302 I304R268-I294 HydrophobicContact CB-CG2 3.72Å; R268-I294 HydrophobicContact CG-CG2 4.42Å; V270-I294 HydrophobicContact CG2-CG1 4.17Å; I294-T301 PolarHBondContact O-N 2.68Å; I294-D302 HydrophobicContact CB-CB 4Å; I294-D302 HydrophobicContact CD1-CB 3.78Å; I294-D302 HydrophobicContact CG1-CB 3.93Å; I294-D302 PolarHBondContact N-O 3Å; I294-I304 HydrophobicContact CD1-CD1 4.22Å; I294-I304 HydrophobicContact CG1-CD1 4.23Å
295L98.8Very high97.9Very high0 Ų038.1 Ų38.10%019%0.189CC..EExtended strand (participates in β ladder)trans-101.9128.5-179.8-67.7-174.9000112.4I159 L259 I263 R268 R269 H271 V273 G299 I300I159-L295 HydrophobicContact CD1-CD2 4Å; L259-L295 HydrophobicContact CD2-CD1 3.66Å; I263-L295 HydrophobicContact CG1-CB 4.45Å; R268-L295 WeakPolarHBondContact CA-O 3.26Å; R268-L295 PolarHBondContact N-O 2.81Å; R269-L295 PolarHBondContact O-N 3.21Å; H271-L295 HydrophobicContact CB-CD1 4.08Å; V273-L295 HydrophobicContact CG1-CD1 4.21Å; V273-L295 HydrophobicContact CG2-CD1 4.4Å; V273-L295 HydrophobicContact CG2-CD2 4.31Å; L295-G299 WeakPolarHBondContact CA-O 3.49Å; L295-I300 HydrophobicContact CD2-CB 4.3Å; L295-I300 HydrophobicContact CD2-CD1 4.5Å; L295-I300 HydrophobicContact CD2-CG1 3.38Å
296G98.2Very high97.9Very high0 Ų035.9 Ų35.90%018%0.181CC..EExtended strand (participates in β ladder)trans-147.6-160.9175.300000112.7I263 N266 N298 G299I263-G296 WeakPolarHBondContact CA-O 3.39Å; I263-G296 CarbonylContact O-C 3.44Å; N266-G296 WeakPolarHBondContact OD1-CA 3.49Å; G296-N298 PolarHBondContact O-N 3.47Å; G296-N298 VanDerWaalsContact O-N 3.11Å; G296-G299 PolarHBondContact N-O 2.83Å; G296-G299 PolarHBondContact O-N 3.39Å
297E97.6Very high97.9Very high99 Ų9942.2 Ų42.246%0.46321%0.207SC..THydrogen-bonded Turntrans-59.8-28.2-173.670.6-169.6151.300113.9K132 I263 N266 G299K132-E297 VanDerWaalsContact CD-O 3.31Å; K132-E297 WeakPolarHBondContact CD-O 3.45Å; K132-E297 WeakPolarHBondContact CE-O 3.48Å; K132-E297 PolarHBondContact NZ-O 3.08Å; I263-E297 VanDerWaalsContact O-CA 3.25Å; I263-E297 WeakPolarHBondContact O-CA 3.47Å; I263-E297 PolarHBondContact O-N 3.22Å; N266-E297 HydrophobicContact CB-CB 4.02Å; N266-E297 VanDerWaalsContact ND2-CD 3.32Å; N266-E297 PolarHBondContact ND2-OE1 3.37Å; N266-E297 VanDerWaalsContact ND2-OE1 3.12Å; N266-E297 PolarHBondContact OD1-N 3.01Å; E297-G299 VanDerWaalsContact C-N 3.33Å
298N98Very high97.9Very high93 Ų9343.4 Ų43.450%0.49721%0.213SC..THydrogen-bonded Turntrans-93.813.3179-69.7-45.5000113.1N156 G296 T301N156-N298 PolarHBondContact ND2-O 3.21Å; G296-N298 PolarHBondContact O-N 3.47Å; G296-N298 VanDerWaalsContact O-N 3.11Å; N298-T301 HydrophobicContact CB-CG2 4.29Å
299G98.6Very high97.9Very high0 Ų045 Ų450%022%0.223CC..EExtended strand (participates in β ladder)trans79.7-129.4-173.500000111.8N156 L295 G296 E297 T301N156-G299 CarbonylContact O-C 3.6Å; N156-G299 WeakPolarHBondContact O-CA 3.28Å; L295-G299 WeakPolarHBondContact CA-O 3.49Å; G296-G299 PolarHBondContact N-O 2.83Å; G296-G299 PolarHBondContact O-N 3.39Å; E297-G299 VanDerWaalsContact C-N 3.33Å; G299-T301 PolarHBondContact O-N 3.31Å
300I98.8Very high97.8Very high15 Ų1551.9 Ų51.98%0.07726%0.259CS..EExtended strand (participates in β ladder)trans-81.5108.3178.3-63.6165.4000109.7N156 I159 V273 T275 C293 L295N156-I300 WeakPolarHBondContact CB-O 3.37Å; N156-I300 PolarHBondContact O-N 3.48Å; I159-I300 HydrophobicContact CD1-CG1 4.33Å; I159-I300 HydrophobicContact CG1-CD1 3.99Å; I159-I300 HydrophobicContact CG1-CG1 4.02Å; I159-I300 HydrophobicContact CG2-CD1 4.32Å; V273-I300 HydrophobicContact CG2-CD1 4.16Å; V273-I300 HydrophobicContact CG2-CG1 4.45Å; T275-I300 WeakPolarHBondContact OG1-CD1 3.41Å; C293-I300 HydrophobicContact CB-CD1 4.35Å; C293-I300 HydrophobicContact CB-CG1 4.03Å; C293-I300 HydrophobicContact CB-CG2 3.83Å; L295-I300 HydrophobicContact CD2-CB 4.3Å; L295-I300 HydrophobicContact CD2-CD1 4.5Å; L295-I300 HydrophobicContact CD2-CG1 3.38Å
301T97.8Very high97.7Very high52 Ų5258 Ų5832%0.31929%0.288SS..EExtended strand (participates in β ladder)trans-89.1-33.7177.460.60000112.4R268 I294 N298 G299R268-T301 PolarHBondContact NH1-OG1 2.94Å; R268-T301 PolarHBondContact NH2-OG1 2.87Å; I294-T301 PolarHBondContact O-N 2.68Å; N298-T301 HydrophobicContact CB-CG2 4.29Å; G299-T301 PolarHBondContact O-N 3.31Å
302D98.2Very high97.7Very high73 Ų7358.5 Ų58.539%0.3929%0.29SS..EExtended strand (participates in β ladder)trans-147.9161.2-173.1-50.4-92.8000110.6R268 C293 I294R268-D302 IonicContact CZ-OD2 3.72Å; R268-D302 IonicContact NH2-OD2 3.45Å; R268-D302 PolarHBondContact NH2-OD2 3.47Å; C293-D302 CarbonylContact C-O 3.58Å; C293-D302 WeakPolarHBondContact CA-O 3.47Å; I294-D302 HydrophobicContact CB-CB 4Å; I294-D302 HydrophobicContact CD1-CB 3.78Å; I294-D302 HydrophobicContact CG1-CB 3.93Å; I294-D302 PolarHBondContact N-O 3Å
303L96.5Very high97.7Very high66 Ų6661.1 Ų61.135%0.34630%0.302SS..EExtended strand (participates in β ladder)trans-123.1144.3172.563.493.2000110.2L280 K305L280-L303 HydrophobicContact CD1-CD1 4.17Å; L280-L303 HydrophobicContact CD1-CD2 4.15Å; L280-L303 HydrophobicContact CD2-CD1 3.8Å; L280-L303 HydrophobicContact CD2-CD2 4.31Å; L303-K305 HydrophobicContact CD1-CG 3.68Å
304I97.3Very high97.7Very high69 Ų6963.5 Ų63.535%0.35432%0.322SS..  trans-91.4119173.7-51.6-57.9000108.4V270 P292 I294 V306V270-I304 HydrophobicContact CG1-CG1 3.98Å; V270-I304 HydrophobicContact CG2-CD1 4.48Å; V270-I304 HydrophobicContact CG2-CG1 4.25Å; P292-I304 HydrophobicContact CB-CB 4.1Å; P292-I304 HydrophobicContact CB-CG1 4.3Å; P292-I304 PolarHBondContact O-N 3.18Å; I294-I304 HydrophobicContact CD1-CD1 4.22Å; I294-I304 HydrophobicContact CG1-CD1 4.23Å; I304-V306 HydrophobicContact CG2-CG2 4.48Å; I304-V306 PolarHBondContact O-N 2.66Å; I304-V306 VanDerWaalsContact O-N 3.1Å
305K95.3Very high97.6Very high162 Ų16265.3 Ų65.370%0.70434%0.336SS*.  trans-79.389.3172.7-63.4-176.7-178.6-178.10109L303L303-K305 HydrophobicContact CD1-CG 3.68Å
306V96.2Very high97.6Very high28 Ų2865.3 Ų65.317%0.1734%0.336CS..  trans-64.4135.7176.7-174.90000108.9L190 V200 Y281 P292 I304 L308L190-V306 HydrophobicContact CD1-CG2 4.43Å; V200-V306 HydrophobicContact CG1-CG1 4.21Å; Y281-V306 WeakPolarHBondContact CE1-O 3.37Å; Y281-V306 PolarHBondContact OH-N 3.13Å; Y281-V306 PolarHBondContact OH-O 3.34Å; P292-V306 HydrophobicContact CG-CG2 3.61Å; I304-V306 HydrophobicContact CG2-CG2 4.48Å; I304-V306 PolarHBondContact O-N 2.66Å; I304-V306 VanDerWaalsContact O-N 3.1Å; V306-L308 HydrophobicContact CB-CD2 4.25Å; V306-L308 HydrophobicContact CG1-CD2 3.77Å; V306-L308 HydrophobicContact CG1-CG 4.47Å; V306-L308 PolarHBondContact O-N 2.95Å
307K96.3Very high97.6Very high194 Ų19468.4 Ų68.484%0.84335%0.351SS*.  trans-81.2102.8170.6-66.9-176.3-179-179.30108
308L97.9Very high97.6Very high26 Ų2670.3 Ų70.314%0.13636%0.358CS..  trans-88152.6177.3-60.4178.7000110.1L190 V200 Y281 V306 E312 E313 L316L190-L308 HydrophobicContact CD1-CD2 4.41Å; V200-L308 HydrophobicContact CB-CD2 4.47Å; V200-L308 HydrophobicContact CG1-CD2 3.73Å; V200-L308 HydrophobicContact CG2-CD2 3.86Å; Y281-L308 HydrophobicContact CD1-CD1 3.95Å; Y281-L308 HydrophobicContact CE1-CD1 3.82Å; Y281-L308 HydrophobicContact CE1-CG 4.12Å; Y281-L308 HydrophobicContact CG-CD1 4.4Å; V306-L308 HydrophobicContact CB-CD2 4.25Å; V306-L308 HydrophobicContact CG1-CD2 3.77Å; V306-L308 HydrophobicContact CG1-CG 4.47Å; V306-L308 PolarHBondContact O-N 2.95Å; L308-E312 WeakPolarHBondContact CA-OE2 3.48Å; L308-E312 HydrophobicContact CB-CB 3.92Å; L308-E312 HydrophobicContact CD2-CB 4.2Å; L308-E312 HydrophobicContact CG-CB 4.49Å; L308-E313 HydrophobicContact CB-CB 4.17Å; L308-E313 HydrophobicContact CD1-CB 4.41Å; L308-L316 HydrophobicContact CD1-CB 4.49Å; L308-L316 HydrophobicContact CD1-CD2 3.74Å
309T98Very high97.6Very high35 Ų3565.9 Ų65.922%0.21533%0.334CS..  trans-69.6166.6162.677.90000110.4E311 E312 E313T309-E311 WeakPolarHBondContact CB-OE2 3.28Å; T309-E311 PolarHBondContact O-N 2.86Å; T309-E311 PolarHBondContact OG1-N 3.48Å; T309-E311 PolarHBondContact OG1-OE2 2.89Å; T309-E312 PolarHBondContact N-OE2 2.89Å; T309-E312 PolarHBondContact O-N 3.28Å; T309-E312 PolarHBondContact OG1-N 3.48Å; T309-E313 WeakPolarHBondContact O-CB 3.35Å; T309-E313 PolarHBondContact O-N 3.37Å
310L97.4Very high97.6Very high144 Ų14466 Ų6675%0.75434%0.335SS*.Hα-helixtrans-58.8-37.4177.6-65.7176.2000111.7A314L310-A314 VanDerWaalsContact O-CB 3.29Å; L310-A314 WeakPolarHBondContact O-CB 3.27Å; L310-A314 PolarHBondContact O-N 3.14Å
311E96.6Very high97.5Very high128 Ų12871 Ų7160%0.59836%0.358SS*.Hα-helixtrans-69.6-45.2177.3-57.176.5-164.800111.8T309 E313 A314 C315T309-E311 WeakPolarHBondContact CB-OE2 3.28Å; T309-E311 PolarHBondContact O-N 2.86Å; T309-E311 PolarHBondContact OG1-N 3.48Å; T309-E311 PolarHBondContact OG1-OE2 2.89Å; E311-E313 VanDerWaalsContact C-N 3.34Å; E311-E313 PolarHBondContact O-N 2.9Å; E311-A314 PolarHBondContact O-N 3.25Å; E311-C315 WeakPolarHBondContact O-CB 3.38Å; E311-C315 PolarHBondContact O-N 3.3Å; E311-C315 PolarHBondContact O-SG 3.08Å; E311-C315 VanDerWaalsContact O-SG 3.37Å
312E98.4Very high97.4Very high11 Ų1171 Ų715%0.05136%0.358CS..Hα-helixtrans-62.8-40.9177.4-70.8170.1163.100111.4V200 W201 S202 L308 T309 C315 L316V200-E312 WeakPolarHBondContact CA-OE1 3.47Å; W201-E312 PolarHBondContact N-OE1 2.91Å; S202-E312 WeakPolarHBondContact CB-OE1 3.31Å; S202-E312 WeakPolarHBondContact CB-OE2 3.35Å; S202-E312 PolarHBondContact N-OE1 2.87Å; S202-E312 VanDerWaalsContact OG-CD 3.29Å; S202-E312 PolarHBondContact OG-OE1 3.25Å; S202-E312 VanDerWaalsContact OG-OE1 3.07Å; S202-E312 PolarHBondContact OG-OE2 2.77Å; L308-E312 WeakPolarHBondContact CA-OE2 3.48Å; L308-E312 HydrophobicContact CB-CB 3.92Å; L308-E312 HydrophobicContact CD2-CB 4.2Å; L308-E312 HydrophobicContact CG-CB 4.49Å; T309-E312 PolarHBondContact N-OE2 2.89Å; T309-E312 PolarHBondContact O-N 3.28Å; T309-E312 PolarHBondContact OG1-N 3.48Å; E312-C315 PolarHBondContact O-N 3.48Å; E312-L316 WeakPolarHBondContact O-CB 3.39Å; E312-L316 PolarHBondContact O-N 2.9Å
313E98.4Very high97.3Very high58 Ų5867.5 Ų67.527%0.27134%0.339SS..Hα-helixtrans-64.9-44.9175.1-176.6165.5165.700111.6L308 T309 E311 C315 L316 Q317L308-E313 HydrophobicContact CB-CB 4.17Å; L308-E313 HydrophobicContact CD1-CB 4.41Å; T309-E313 WeakPolarHBondContact O-CB 3.35Å; T309-E313 PolarHBondContact O-N 3.37Å; E311-E313 VanDerWaalsContact C-N 3.34Å; E311-E313 PolarHBondContact O-N 2.9Å; E313-C315 VanDerWaalsContact C-N 3.35Å; E313-C315 PolarHBondContact O-N 2.97Å; E313-L316 WeakPolarHBondContact O-CB 3.33Å; E313-L316 PolarHBondContact O-N 2.86Å; E313-L316 VanDerWaalsContact O-N 3.14Å; E313-Q317 WeakPolarHBondContact O-CG 3.48Å; E313-Q317 PolarHBondContact O-N 3.32Å
314A98.2Very high97.3Very high50 Ų5068.2 Ų68.241%0.41334%0.338SS..Hα-helixtrans-62.6-39.8176.600000112.3L310 E311 L316 Q317 K318L310-A314 VanDerWaalsContact O-CB 3.29Å; L310-A314 WeakPolarHBondContact O-CB 3.27Å; L310-A314 PolarHBondContact O-N 3.14Å; E311-A314 PolarHBondContact O-N 3.25Å; A314-L316 VanDerWaalsContact C-N 3.33Å; A314-Q317 PolarHBondContact O-N 3.01Å; A314-K318 WeakPolarHBondContact O-CB 3.47Å; A314-K318 PolarHBondContact O-N 3.45Å
315C98.1Very high97.1Very high68 Ų6869.9 Ų69.946%0.45934%0.344SS..Hα-helixtrans-62.8-39.8173-75.30000111.9V198 E311 E312 E313 K318 S319V198-C315 HydrophobicContact CG1-CB 3.9Å; V198-C315 HydrophobicContact CG2-CB 3.89Å; E311-C315 WeakPolarHBondContact O-CB 3.38Å; E311-C315 PolarHBondContact O-N 3.3Å; E311-C315 PolarHBondContact O-SG 3.08Å; E311-C315 VanDerWaalsContact O-SG 3.37Å; E312-C315 PolarHBondContact O-N 3.48Å; E313-C315 VanDerWaalsContact C-N 3.35Å; E313-C315 PolarHBondContact O-N 2.97Å; C315-K318 PolarHBondContact O-N 3.41Å; C315-S319 PolarHBondContact O-N 2.98Å
316L98.3Very high97Very high1 Ų163.2 Ų63.21%0.00532%0.316CS..Hα-helixtrans-67.4-40.4177.6-173.264.7000111.8L190 G191 V198 Y281 L289 L308 E312 E313 A314 S319 A320L190-L316 HydrophobicContact CB-CD1 4.35Å; G191-L316 VanDerWaalsContact CA-CD1 3.46Å; V198-L316 HydrophobicContact CG2-CB 4.32Å; V198-L316 HydrophobicContact CG2-CD1 4.35Å; Y281-L316 HydrophobicContact CD2-CD2 3.46Å; Y281-L316 VanDerWaalsContact CD2-CD2 3.46Å; Y281-L316 HydrophobicContact CE2-CD2 3.86Å; Y281-L316 HydrophobicContact CG-CD2 3.95Å; L289-L316 HydrophobicContact CD1-CD1 4.16Å; L289-L316 HydrophobicContact CD2-CD1 4.33Å; L308-L316 HydrophobicContact CD1-CB 4.49Å; L308-L316 HydrophobicContact CD1-CD2 3.74Å; E312-L316 WeakPolarHBondContact O-CB 3.39Å; E312-L316 PolarHBondContact O-N 2.9Å; E313-L316 WeakPolarHBondContact O-CB 3.33Å; E313-L316 PolarHBondContact O-N 2.86Å; E313-L316 VanDerWaalsContact O-N 3.14Å; A314-L316 VanDerWaalsContact C-N 3.33Å; L316-S319 WeakPolarHBondContact O-CB 3.42Å; L316-S319 PolarHBondContact O-N 3.07Å; L316-A320 PolarHBondContact O-N 3.36Å
317Q98.2Very high96.9Very high65 Ų6562.2 Ų62.230%0.30431%0.309SS..Hα-helixtrans-60.8-46.3173.3-72.8169.8-10.200111.1Y281 E313 A314 S319 A320 E321Y281-Q317 WeakPolarHBondContact O-CG 3.23Å; Y281-Q317 PolarHBondContact O-NE2 2.66Å; E313-Q317 WeakPolarHBondContact O-CG 3.48Å; E313-Q317 PolarHBondContact O-N 3.32Å; A314-Q317 PolarHBondContact O-N 3.01Å; Q317-S319 VanDerWaalsContact C-N 3.3Å; Q317-S319 PolarHBondContact O-N 2.97Å; Q317-A320 WeakPolarHBondContact O-CA 3.47Å; Q317-A320 WeakPolarHBondContact O-CB 3.5Å; Q317-A320 PolarHBondContact O-N 3.29Å; Q317-A320 VanDerWaalsContact O-N 3.07Å; Q317-E321 WeakPolarHBondContact O-CG 3.41Å; Q317-E321 PolarHBondContact O-N 2.8Å
318K98.1Very high96.8Very high138 Ų13857.4 Ų57.460%0.629%0.288SS*.Hα-helixtrans-61.1-37.4175.7-175177.5-179.6-179.20113A314 C315 E321 T322A314-K318 WeakPolarHBondContact O-CB 3.47Å; A314-K318 PolarHBondContact O-N 3.45Å; C315-K318 PolarHBondContact O-N 3.41Å; K318-E321 PolarHBondContact O-N 3.41Å; K318-T322 PolarHBondContact O-N 3.12Å; K318-T322 PolarHBondContact O-OG1 2.95Å
319S97.7Very high96.6Very high0 Ų061.2 Ų61.20%031%0.305CS..Hα-helixtrans-62.7-44.1173-172.70000111.2E192 S196 C315 L316 Q317 T322 L323E192-S319 VanDerWaalsContact CB-OG 3.28Å; E192-S319 WeakPolarHBondContact CB-OG 3.24Å; E192-S319 PolarHBondContact N-OG 3.31Å; S196-S319 VanDerWaalsContact O-CB 3.23Å; S196-S319 WeakPolarHBondContact O-CB 3.41Å; S196-S319 PolarHBondContact O-OG 3.14Å; S196-S319 VanDerWaalsContact O-OG 3.07Å; S196-S319 WeakPolarHBondContact OG-CA 3.12Å; S196-S319 WeakPolarHBondContact OG-CB 3.48Å; S196-S319 PolarHBondContact OG-OG 2.99Å; C315-S319 PolarHBondContact O-N 2.98Å; L316-S319 WeakPolarHBondContact O-CB 3.42Å; L316-S319 PolarHBondContact O-N 3.07Å; Q317-S319 VanDerWaalsContact C-N 3.3Å; Q317-S319 PolarHBondContact O-N 2.97Å; S319-T322 WeakPolarHBondContact O-CB 3.49Å; S319-T322 PolarHBondContact O-N 2.85Å; S319-L323 WeakPolarHBondContact O-CG 3.43Å; S319-L323 PolarHBondContact O-N 3.39Å; S319-L323 VanDerWaalsContact O-N 3.12Å
320A97.9Very high96.3Very high3 Ų360.4 Ų60.43%0.02530%0.299CS..Hα-helixtrans-61.6-45.9175.400000111.9I283 I287 L289 L316 Q317 T322 L323 W324I283-A320 HydrophobicContact CD1-CB 3.74Å; I283-A320 HydrophobicContact CG1-CB 4Å; I283-A320 HydrophobicContact CG2-CB 4.4Å; I287-A320 HydrophobicContact CD1-CB 3.97Å; I287-A320 WeakPolarHBondContact CD1-O 3.49Å; I287-A320 HydrophobicContact CG2-CB 4.49Å; L289-A320 HydrophobicContact CD2-CB 3.64Å; L316-A320 PolarHBondContact O-N 3.36Å; Q317-A320 WeakPolarHBondContact O-CA 3.47Å; Q317-A320 WeakPolarHBondContact O-CB 3.5Å; Q317-A320 PolarHBondContact O-N 3.29Å; Q317-A320 VanDerWaalsContact O-N 3.07Å; A320-T322 VanDerWaalsContact C-N 3.33Å; A320-T322 PolarHBondContact O-N 3.1Å; A320-L323 PolarHBondContact O-N 2.86Å; A320-W324 WeakPolarHBondContact O-CB 3.37Å; A320-W324 PolarHBondContact O-N 2.88Å
321E97Very high96Very high119 Ų11960.9 Ų60.956%0.55630%0.296SS*.Hα-helixtrans-57.1-45.7175.1-71.6170.9-177.500111.5Q317 K318 L323 W324 E325Q317-E321 WeakPolarHBondContact O-CG 3.41Å; Q317-E321 PolarHBondContact O-N 2.8Å; K318-E321 PolarHBondContact O-N 3.41Å; E321-L323 VanDerWaalsContact C-N 3.29Å; E321-L323 PolarHBondContact O-N 3.33Å; E321-W324 WeakPolarHBondContact O-CB 3.33Å; E321-W324 PolarHBondContact O-N 3.41Å; E321-W324 VanDerWaalsContact O-N 3.1Å; E321-E325 WeakPolarHBondContact O-CG 3.44Å; E321-E325 PolarHBondContact O-N 3.47Å
322T95.3Very high95.3Very high52 Ų5260.1 Ų60.132%0.31929%0.29SS..Hα-helixtrans-58.6-42178.3-58.40000111.8K318 S319 A320K318-T322 PolarHBondContact O-N 3.12Å; K318-T322 PolarHBondContact O-OG1 2.95Å; S319-T322 WeakPolarHBondContact O-CB 3.49Å; S319-T322 PolarHBondContact O-N 2.85Å; A320-T322 VanDerWaalsContact C-N 3.33Å; A320-T322 PolarHBondContact O-N 3.1Å
323L96.1Very high95.2Very high0 Ų062.6 Ų62.60%030%0.302CS..Hα-helixtrans-68.1-41.5175.6-70.4169.7000111.7D141 I142 E192 I287 F288 L289 S319 A320 E321 I326 Q327D141-L323 HydrophobicContact CB-CD1 4.07Å; D141-L323 HydrophobicContact CB-CD2 3.98Å; I142-L323 HydrophobicContact CD1-CD2 4.18Å; I142-L323 HydrophobicContact CG1-CD2 3.92Å; E192-L323 HydrophobicContact CB-CD1 4.09Å; E192-L323 HydrophobicContact CB-CD2 4.4Å; E192-L323 HydrophobicContact CB-CG 4.32Å; E192-L323 HydrophobicContact CG-CD2 4.05Å; E192-L323 HydrophobicContact CG-CG 4.48Å; I287-L323 HydrophobicContact CG2-CB 4.05Å; I287-L323 HydrophobicContact CG2-CD1 4.15Å; F288-L323 WeakPolarHBondContact O-CD1 3.25Å; L289-L323 HydrophobicContact CB-CD1 3.87Å; S319-L323 WeakPolarHBondContact O-CG 3.43Å; S319-L323 PolarHBondContact O-N 3.39Å; S319-L323 VanDerWaalsContact O-N 3.12Å; A320-L323 PolarHBondContact O-N 2.86Å; E321-L323 VanDerWaalsContact C-N 3.29Å; E321-L323 PolarHBondContact O-N 3.33Å; L323-I326 PolarHBondContact O-N 3.21Å; L323-Q327 WeakPolarHBondContact O-CB 3.42Å; L323-Q327 PolarHBondContact O-N 2.91Å
324W96.1Very high95Very high82 Ų8262.8 Ų62.831%0.31130%0.304SS..Hα-helixtrans-62.4-42.3179.8-178.9-121000113.1E285 I287 A320 E321 I326 Q327 K328E285-W324 HydrophobicContact CB-CD2 4.02Å; E285-W324 HydrophobicContact CB-CE3 3.92Å; E285-W324 HydrophobicContact CB-CH2 4.45Å; E285-W324 HydrophobicContact CB-CZ3 4.15Å; E285-W324 HydrophobicContact CG-CD2 3.83Å; E285-W324 HydrophobicContact CG-CE3 4.22Å; E285-W324 HydrophobicContact CG-CG 4.26Å; E285-W324 HydrophobicContact CG-CH2 4.38Å; E285-W324 HydrophobicContact CG-CZ2 3.98Å; E285-W324 HydrophobicContact CG-CZ3 4.48Å; I287-W324 HydrophobicContact CD1-CB 3.74Å; I287-W324 HydrophobicContact CD1-CG 4.31Å; I287-W324 HydrophobicContact CG1-CB 4.14Å; I287-W324 HydrophobicContact CG1-CE3 4.03Å; A320-W324 WeakPolarHBondContact O-CB 3.37Å; A320-W324 PolarHBondContact O-N 2.88Å; E321-W324 WeakPolarHBondContact O-CB 3.33Å; E321-W324 PolarHBondContact O-N 3.41Å; E321-W324 VanDerWaalsContact O-N 3.1Å; W324-I326 PolarHBondContact O-N 3.05Å; W324-Q327 HydrophobicContact CE3-CB 4.24Å; W324-Q327 PolarHBondContact O-N 3.18Å; W324-K328 HydrophobicContact CD2-CB 4.43Å; W324-K328 HydrophobicContact CH2-CB 4.36Å; W324-K328 HydrophobicContact CZ2-CB 4.06Å; W324-K328 WeakPolarHBondContact O-CB 3.5Å; W324-K328 WeakPolarHBondContact O-CG 3.44Å; W324-K328 PolarHBondContact O-N 2.84Å
325E94.5Very high94.8Very high103 Ų10363.6 Ų63.648%0.48130%0.298SS..Hα-helixtrans-57.6-32178.3-73.1-58.4114.400112.3E321 K328E321-E325 WeakPolarHBondContact O-CG 3.44Å; E321-E325 PolarHBondContact O-N 3.47Å; E325-K328 IonicContact OE1-NZ 2.71Å; E325-K328 PolarHBondContact OE1-NZ 2.91Å; E325-K328 VanDerWaalsContact OE2-CE 3.29Å; E325-K328 WeakPolarHBondContact OE2-CE 3.28Å; E325-K328 IonicContact OE2-NZ 2.64Å; E325-K328 PolarHBondContact OE2-NZ 3.26Å
326I92.9Very high94.7Very high23 Ų2363.3 Ų63.312%0.11829%0.289CS..Hα-helixtrans-83.3-43.2174-56.7169.9000110.4R106 L107 V110 I142 L323 W324 K328 E329R106-I326 HydrophobicContact CG-CD1 4.16Å; L107-I326 HydrophobicContact CD1-CG2 4.02Å; V110-I326 HydrophobicContact CG2-CG2 4.29Å; I142-I326 HydrophobicContact CD1-CB 3.84Å; I142-I326 HydrophobicContact CD1-CD1 4.04Å; I142-I326 HydrophobicContact CD1-CG2 3.64Å; L323-I326 PolarHBondContact O-N 3.21Å; W324-I326 PolarHBondContact O-N 3.05Å; I326-K328 VanDerWaalsContact C-N 3.34Å; I326-K328 PolarHBondContact O-N 3.32Å; I326-E329 PolarHBondContact O-N 3.32Å
327Q93.4Very high94.4Very high6 Ų667.2 Ų67.23%0.02831%0.306CS..Hα-helixtrans-64.4-35.7-173.9-169.2178.7-51.400112.9Y145 E286 L323 W324 E329 L330Y145-Q327 VanDerWaalsContact CD1-CD 3.48Å; Y145-Q327 HydrophobicContact CD1-CG 3.62Å; Y145-Q327 HydrophobicContact CE1-CG 3.6Å; Y145-Q327 HydrophobicContact CG-CG 4.23Å; E286-Q327 PolarHBondContact O-NE2 3.23Å; L323-Q327 WeakPolarHBondContact O-CB 3.42Å; L323-Q327 PolarHBondContact O-N 2.91Å; W324-Q327 HydrophobicContact CE3-CB 4.24Å; W324-Q327 PolarHBondContact O-N 3.18Å; Q327-E329 VanDerWaalsContact C-N 3.25Å; Q327-E329 PolarHBondContact O-N 3.39Å; Q327-L330 HydrophobicContact CG-CD1 4.13Å; Q327-L330 WeakPolarHBondContact O-CB 3.36Å; Q327-L330 VanDerWaalsContact O-CG 3.28Å; Q327-L330 WeakPolarHBondContact O-CG 3.09Å; Q327-L330 PolarHBondContact O-N 3.27Å
328K93.6Very high94.2Very high93 Ų9367.3 Ų67.340%0.40431%0.306SS..THydrogen-bonded Turntrans-68.8-23.2179.673.8-174.7-175.7-174.40113.5W324 E325 I326 L330W324-K328 HydrophobicContact CD2-CB 4.43Å; W324-K328 HydrophobicContact CH2-CB 4.36Å; W324-K328 HydrophobicContact CZ2-CB 4.06Å; W324-K328 WeakPolarHBondContact O-CB 3.5Å; W324-K328 WeakPolarHBondContact O-CG 3.44Å; W324-K328 PolarHBondContact O-N 2.84Å; E325-K328 IonicContact OE1-NZ 2.71Å; E325-K328 PolarHBondContact OE1-NZ 2.91Å; E325-K328 VanDerWaalsContact OE2-CE 3.29Å; E325-K328 WeakPolarHBondContact OE2-CE 3.28Å; E325-K328 IonicContact OE2-NZ 2.64Å; E325-K328 PolarHBondContact OE2-NZ 3.26Å; I326-K328 VanDerWaalsContact C-N 3.34Å; I326-K328 PolarHBondContact O-N 3.32Å; K328-L330 VanDerWaalsContact C-N 3.34Å
329E93.9Very high93.9Very high107 Ų10762.3 Ų62.350%0.529%0.285SS..THydrogen-bonded Turntrans-88-3.4179.8-62-62.6149.500112.8L107 I326 Q327L107-E329 HydrophobicContact CD1-CB 3.98Å; L107-E329 HydrophobicContact CD2-CB 4.18Å; I326-E329 PolarHBondContact O-N 3.32Å; Q327-E329 VanDerWaalsContact C-N 3.25Å; Q327-E329 PolarHBondContact O-N 3.39Å
330L92.6Very high93.6Very high17 Ų1767.1 Ų67.19%0.08931%0.307CS..  trans-69.7134.8-176.2-62.3-179000112.9L107 V110 V114 I142 V146 Q327 K328 F332L107-L330 HydrophobicContact CD1-CD2 4.4Å; V110-L330 HydrophobicContact CB-CD2 4.37Å; V110-L330 HydrophobicContact CG1-CD2 3.4Å; V114-L330 HydrophobicContact CG2-CD2 4.32Å; I142-L330 HydrophobicContact CG2-CD1 3.65Å; V146-L330 HydrophobicContact CG2-CD1 3.88Å; Q327-L330 HydrophobicContact CG-CD1 4.13Å; Q327-L330 WeakPolarHBondContact O-CB 3.36Å; Q327-L330 VanDerWaalsContact O-CG 3.28Å; Q327-L330 WeakPolarHBondContact O-CG 3.09Å; Q327-L330 PolarHBondContact O-N 3.27Å; K328-L330 VanDerWaalsContact C-N 3.34Å; L330-F332 HydrophobicContact CB-CE2 4.28Å
331K89.9Confident93.3Very high155 Ų15572.4 Ų72.467%0.67433%0.331SS*.  trans-101.8104.7173.8-62.1179.3-176.91760110.7Q111 K118Q111-K331 PolarHBondContact NE2-O 3.29Å; K118-K331 PolarHBondContact NZ-O 2.64Å
332F83.9Confident92.9Very high112 Ų11268.2 Ų68.249%0.49131%0.31SS..  trans-72.70171.6-76.5-88000113.6K118 Y145 V146 K149 L150 L330K118-F332 WeakPolarHBondContact CD-OXT 3.29Å; K118-F332 WeakPolarHBondContact CE-OXT 3.29Å; K118-F332 PolarHBondContact NZ-O 3.25Å; K118-F332 PolarHBondContact NZ-OXT 2.71Å; Y145-F332 HydrophobicContact CD1-CZ 4.14Å; Y145-F332 AromaticContact CE1-CE2 3.79Å; Y145-F332 HydrophobicContact CE1-CE2 3.79Å; Y145-F332 AromaticContact CE1-CZ 3.52Å; Y145-F332 HydrophobicContact CE1-CZ 3.52Å; V146-F332 HydrophobicContact CB-CE1 4.48Å; V146-F332 HydrophobicContact CG1-CE1 4.25Å; V146-F332 HydrophobicContact CG2-CE1 4.39Å; V146-F332 HydrophobicContact CG2-CZ 4.15Å; K149-F332 HydrophobicContact CB-CD1 4.43Å; K149-F332 HydrophobicContact CB-CE1 3.61Å; K149-F332 HydrophobicContact CB-CZ 3.96Å; K149-F332 HydrophobicContact CG-CE1 4.15Å; K149-F332 HydrophobicContact CG-CZ 3.95Å; L150-F332 HydrophobicContact CD2-CD1 4.26Å; L330-F332 HydrophobicContact CB-CE2 4.28Å

Retrieved 332 of 332 residues in 217.5 ms (Link to these results)

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