A0A077Z3R3_TRITR Loading...

Ubiquitin-like modifier-activating enzyme 5

AlphaFold DB , UniProt , Accession A0A077Z3R3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 390 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
1M43.7Very low57.4Low245 Ų245144.5 Ų144.5100%1.20778%0.781SS**  0120.70-72.8174.8170.500107S3M1-S3 PolarHBondContact O-N 3.23Å
2A40.2Very low60.2Low102 Ų102146.3 Ų146.384%0.84378%0.781SS**  trans-60.8116.3-160.600000113.2N4A2-N4 PolarHBondContact O-N 2.95Å; A2-N4 VanDerWaalsContact O-N 3.13Å
3S44.3Very low62.8Low112 Ų112147.4 Ų147.478%0.78377%0.774SS**  trans-76.789.9169.2580000109.2M1 S5M1-S3 PolarHBondContact O-N 3.23Å; S3-S5 PolarHBondContact O-N 3.16Å
4N45.5Very low64.9Low161 Ų161139.6 Ų139.686%0.86173%0.733SS**  trans-7086.7161.6-97-8.6000108A2 S6A2-N4 PolarHBondContact O-N 2.95Å; A2-N4 VanDerWaalsContact O-N 3.13Å; N4-S6 PolarHBondContact O-N 3.31Å
5S46.5Very low66.6Low102 Ų102138.2 Ų138.271%0.71374%0.735SS**  trans-70.289.616363.70000107.1S3 V7S3-S5 PolarHBondContact O-N 3.16Å; S5-V7 PolarHBondContact O-N 2.9Å
6S51.7Low68.1Low100 Ų100136.4 Ų136.470%0.69973%0.731SS**  trans-60.9115167.972.40000106.8N4 R8N4-S6 PolarHBondContact O-N 3.31Å; S6-R8 VanDerWaalsContact C-N 3.32Å; S6-R8 PolarHBondContact O-N 2.82Å
7V54.3Low69.5Low135 Ų135129.2 Ų129.282%0.81869%0.692SS**  trans-63.3100.8173.7178.60000105.4S5 Q9S5-V7 PolarHBondContact O-N 2.9Å; V7-Q9 PolarHBondContact O-N 2.79Å
8R65.1Low70.6Confident197 Ų197124.8 Ų124.874%0.74367%0.673SS**  trans-56.6112.7174.7-75-174.9179.5-172.80.6106.9S6 K10S6-R8 VanDerWaalsContact C-N 3.32Å; S6-R8 PolarHBondContact O-N 2.82Å; R8-K10 PolarHBondContact O-N 2.82Å
9Q71Confident71.6Confident195 Ų195119.9 Ų119.991%0.91165%0.652SS**  trans-60.6105.6178.1-171.3176.45.900108V7V7-Q9 PolarHBondContact O-N 2.79Å
10K80.3Confident72.5Confident179 Ų179118.7 Ų118.778%0.77864%0.641SS**PPolyproline II helixtrans-83.4132.2175.6-71.8-172.4178.7-176.40108.2R8R8-K10 PolarHBondContact O-N 2.82Å
11R89Confident73.3Confident62 Ų62117.2 Ų117.223%0.23464%0.636CS.*PPolyproline II helixtrans-63.9133.1168.4179.4177.1164.3-175.50.1108.8P26 Y27 I112 N113 P114 D115R11-P26 VanDerWaalsContact CZ-CG 3.43Å; R11-Y27 PolarHBondContact NH2-OH 2.87Å; R11-I112 PolarHBondContact NH1-O 3.22Å; R11-N113 VanDerWaalsContact CZ-CG 3.41Å; R11-N113 PolarHBondContact NH1-ND2 2.92Å; R11-N113 PolarHBondContact NH1-OD1 3.05Å; R11-N113 PolarHBondContact NH2-OD1 3.39Å; R11-P114 HydrophobicContact CB-CG 4.45Å; R11-P114 HydrophobicContact CG-CG 4.24Å; R11-P114 WeakPolarHBondContact O-CG 3.26Å; R11-D115 IonicContact CZ-OD2 2.8Å; R11-D115 IonicContact NH2-OD2 2.72Å; R11-D115 PolarHBondContact NH2-OD2 3.08Å
12E91Very high75.6Confident166 Ų166110.3 Ų110.378%0.77660%0.599SS**PPolyproline II helixtrans-84.6157.9173.7-65.4-178.1172.900110.8
13K93.4Very high77.9Confident160 Ų160112.8 Ų112.870%0.69660%0.598SS**PPolyproline II helixtrans-69.2133.7173.9-71.4-166.5-177.4-159.80110.3P114 D115K13-P114 WeakPolarHBondContact CE-O 3.42Å; K13-P114 HydrophobicContact CG-CB 3.91Å; K13-P114 HydrophobicContact CG-CG 4.12Å; K13-D115 WeakPolarHBondContact CA-OD1 3.45Å
14I93Very high80.1Confident39 Ų39112.5 Ų112.520%0.260%0.596CS.*  trans-106.3117.2178.4-57.2179.7000108.1V16 P26 Y27 R46 D115I14-V16 WeakPolarHBondContact CG2-O 3.43Å; I14-P26 HydrophobicContact CD1-CG 3.89Å; I14-Y27 HydrophobicContact CB-CE2 4.26Å; I14-Y27 HydrophobicContact CD1-CD2 4.02Å; I14-Y27 HydrophobicContact CD1-CE2 3.98Å; I14-R46 PolarHBondContact O-NH1 3.11Å; I14-R46 PolarHBondContact O-NH2 3.05Å; I14-D115 PolarHBondContact N-OD1 3.05Å
15P90.7Very high82.3Confident118 Ų118105.6 Ų105.677%0.76656%0.559SS**SBendtrans-70.3-36.4-177.425.8-33.2000113R46P15-R46 PolarHBondContact O-NH1 2.71Å
16V90.3Very high84.5Confident109 Ų109103.6 Ų103.666%0.66154%0.544SS*.SBendtrans-128.1131-176.6-178.70000109.9I14 S18I14-V16 WeakPolarHBondContact CG2-O 3.43Å; V16-S18 PolarHBondContact O-N 3.47Å; V16-S18 VanDerWaalsContact O-N 3.11Å
17M91.8Very high86.6Confident15 Ų1598.9 Ų98.97%0.07451%0.511CS..  trans-70.7107178.2-163.9178.1-73.500110Y27 M31 Y42 E43 I45 R46M17-Y27 HydrophobicContact CE-CD1 3.7Å; M17-Y27 HydrophobicContact CE-CE1 3.72Å; M17-Y27 HydrophobicContact CE-CG 4.18Å; M17-Y27 HydrophobicContact CG-CD1 4.14Å; M17-Y27 HydrophobicContact CG-CD2 3.95Å; M17-Y27 HydrophobicContact CG-CG 3.66Å; M17-Y27 HydrophobicContact SD-CD1 4.11Å; M17-Y27 HydrophobicContact SD-CG 4.22Å; M17-M31 HydrophobicContact CB-SD 4.4Å; M17-M31 HydrophobicContact CG-CG 3.83Å; M17-M31 HydrophobicContact CG-SD 3.65Å; M17-M31 HydrophobicContact SD-CG 4.08Å; M17-M31 HydrophobicContact SD-SD 3.43Å; M17-Y42 HydrophobicContact CE-CE1 4.22Å; M17-Y42 HydrophobicContact SD-CD1 3.59Å; M17-Y42 VanDerWaalsContact SD-CD1 3.59Å; M17-Y42 HydrophobicContact SD-CE1 3.71Å; M17-E43 HydrophobicContact CB-CB 4.47Å; M17-I45 HydrophobicContact CE-CG2 3.77Å; M17-R46 HydrophobicContact CE-CG 3.78Å
18S89.5Confident88.5Confident49 Ų4992.6 Ų92.634%0.34347%0.473SS..  trans-90.2139.9-176.6179.20000112V16 E20 N25V16-S18 PolarHBondContact O-N 3.47Å; V16-S18 VanDerWaalsContact O-N 3.11Å; S18-E20 VanDerWaalsContact OG-CB 3.25Å; S18-E20 WeakPolarHBondContact OG-CB 3.26Å; S18-E20 PolarHBondContact OG-N 3.24Å; S18-N25 PolarHBondContact O-ND2 3.46Å
19A88.8Confident89.9Confident33 Ų3390.4 Ų90.427%0.27347%0.465SS..  trans-81.9-0.5170.100000113.3V21 M31 R35A19-V21 PolarHBondContact O-N 2.96Å; A19-M31 HydrophobicContact CB-CB 3.99Å; A19-M31 HydrophobicContact CB-CE 4.45Å; A19-R35 PolarHBondContact O-NH2 3.45Å
20E89.6Confident91Very high95 Ų9583 Ų8344%0.44443%0.431SS..  trans-62.1127-178.5-170.9174.6-146.800111.4S18 K22 N25 S28S18-E20 VanDerWaalsContact OG-CB 3.25Å; S18-E20 WeakPolarHBondContact OG-CB 3.26Å; S18-E20 PolarHBondContact OG-N 3.24Å; E20-K22 HydrophobicContact CG-CD 4.03Å; E20-K22 HydrophobicContact CG-CG 4.06Å; E20-K22 PolarHBondContact O-N 3.07Å; E20-K22 WeakPolarHBondContact OE1-CE 3.4Å; E20-K22 IonicContact OE1-NZ 3.9Å; E20-K22 PolarHBondContact OE1-NZ 3.18Å; E20-K22 WeakPolarHBondContact OE2-CD 3.49Å; E20-K22 WeakPolarHBondContact OE2-CE 3.45Å; E20-K22 IonicContact OE2-NZ 3.85Å; E20-K22 PolarHBondContact OE2-NZ 3.03Å; E20-N25 PolarHBondContact O-ND2 2.98Å; E20-S28 WeakPolarHBondContact O-CB 3.48Å
21V90.4Very high91.7Very high87 Ų8774.9 Ų74.953%0.52740%0.396SS..  trans-88.291.1-178.5-175.60000108.3A19 R35A19-V21 PolarHBondContact O-N 2.96Å; V21-R35 VanDerWaalsContact CG2-NH1 3.33Å
22K90.3Very high91.9Very high101 Ų10173.4 Ų73.444%0.43940%0.397SS..  trans-135.1153172.5-74175.5178.2160.10109.1E20 S24 N25E20-K22 HydrophobicContact CG-CD 4.03Å; E20-K22 HydrophobicContact CG-CG 4.06Å; E20-K22 PolarHBondContact O-N 3.07Å; E20-K22 WeakPolarHBondContact OE1-CE 3.4Å; E20-K22 IonicContact OE1-NZ 3.9Å; E20-K22 PolarHBondContact OE1-NZ 3.18Å; E20-K22 WeakPolarHBondContact OE2-CD 3.49Å; E20-K22 WeakPolarHBondContact OE2-CE 3.45Å; E20-K22 IonicContact OE2-NZ 3.85Å; E20-K22 PolarHBondContact OE2-NZ 3.03Å; K22-S24 PolarHBondContact O-N 2.96Å; K22-N25 PolarHBondContact O-N 3.16Å; K22-N25 VanDerWaalsContact O-N 3.08Å
23D89.1Confident92.1Very high153 Ų15368.1 Ų68.182%0.81837%0.374SS*.THydrogen-bonded Turntrans-68-23.6-179.5-64.7-24.7000113N25 R29D23-N25 VanDerWaalsContact C-N 3.3Å; D23-N25 PolarHBondContact O-N 3.5Å; D23-R29 IonicContact OD1-NH2 2.91Å
24S90.3Very high92Very high107 Ų10764.4 Ų64.475%0.74836%0.358SS*.THydrogen-bonded Turntrans-76.5-11.9173.258.70000114.2K22 P26K22-S24 PolarHBondContact O-N 2.96Å; S24-P26 WeakPolarHBondContact O-CD 3.38Å
25N92.3Very high91.9Very high15 Ų1570.1 Ų70.18%0.0838%0.377CS..  trans-97.4102.3-179.1-179.910.2000111.1S18 E20 K22 D23 Y27 S28S18-N25 PolarHBondContact O-ND2 3.46Å; E20-N25 PolarHBondContact O-ND2 2.98Å; K22-N25 PolarHBondContact O-N 3.16Å; K22-N25 VanDerWaalsContact O-N 3.08Å; D23-N25 VanDerWaalsContact C-N 3.3Å; D23-N25 PolarHBondContact O-N 3.5Å; N25-Y27 PolarHBondContact O-N 3.2Å; N25-Y27 PolarHBondContact OD1-N 3.04Å; N25-S28 WeakPolarHBondContact O-CB 3.29Å; N25-S28 PolarHBondContact O-N 3.5Å; N25-S28 PolarHBondContact O-OG 2.73Å
26P93.3Very high92Very high60 Ų6071 Ų7139%0.3937%0.372SS..THydrogen-bonded Turntrans-66.1-20.6-179.928.1-34.9000113.1R11 I14 S24R11-P26 VanDerWaalsContact CZ-CG 3.43Å; I14-P26 HydrophobicContact CD1-CG 3.89Å; S24-P26 WeakPolarHBondContact O-CD 3.38Å
27Y95.2Very high92.1Very high1 Ų168.3 Ų68.30%0.00437%0.366CS..THydrogen-bonded Turntrans-89.5-7.7179.7-60.2-63000113.8R11 I14 M17 N25 R29 L30 M31 N113 D115R11-Y27 PolarHBondContact NH2-OH 2.87Å; I14-Y27 HydrophobicContact CB-CE2 4.26Å; I14-Y27 HydrophobicContact CD1-CD2 4.02Å; I14-Y27 HydrophobicContact CD1-CE2 3.98Å; M17-Y27 HydrophobicContact CE-CD1 3.7Å; M17-Y27 HydrophobicContact CE-CE1 3.72Å; M17-Y27 HydrophobicContact CE-CG 4.18Å; M17-Y27 HydrophobicContact CG-CD1 4.14Å; M17-Y27 HydrophobicContact CG-CD2 3.95Å; M17-Y27 HydrophobicContact CG-CG 3.66Å; M17-Y27 HydrophobicContact SD-CD1 4.11Å; M17-Y27 HydrophobicContact SD-CG 4.22Å; N25-Y27 PolarHBondContact O-N 3.2Å; N25-Y27 PolarHBondContact OD1-N 3.04Å; Y27-R29 VanDerWaalsContact C-N 3.29Å; Y27-R29 PolarHBondContact O-N 3.09Å; Y27-L30 HydrophobicContact CD1-CD1 4Å; Y27-L30 WeakPolarHBondContact O-CB 3.47Å; Y27-L30 PolarHBondContact O-N 2.97Å; Y27-M31 WeakPolarHBondContact O-CG 3.49Å; Y27-M31 PolarHBondContact O-N 2.86Å; Y27-N113 PolarHBondContact OH-ND2 3.4Å; Y27-N113 PolarHBondContact OH-OD1 3.3Å; Y27-D115 VanDerWaalsContact CE2-OD2 3.32Å; Y27-D115 WeakPolarHBondContact CE2-OD2 3.37Å; Y27-D115 WeakPolarHBondContact OH-CB 3.36Å; Y27-D115 PolarHBondContact OH-OD2 3.26Å
28S93.7Very high92.2Very high4 Ų471.9 Ų71.93%0.02838%0.384CS..Hα-helixtrans-53.2-43.2-174.252.80000113.5E20 N25 A32E20-S28 WeakPolarHBondContact O-CB 3.48Å; N25-S28 WeakPolarHBondContact O-CB 3.29Å; N25-S28 PolarHBondContact O-N 3.5Å; N25-S28 PolarHBondContact O-OG 2.73Å; S28-A32 PolarHBondContact O-N 3Å
29R94.3Very high92.5Very high150 Ų15069.6 Ų69.657%0.56637%0.368SS*.Hα-helixtrans-76.6-28.7-179.4-80.762.9177.3-174.7-1.8112.4D23 Y27 A32D23-R29 IonicContact OD1-NH2 2.91Å; Y27-R29 VanDerWaalsContact C-N 3.29Å; Y27-R29 PolarHBondContact O-N 3.09Å; R29-A32 WeakPolarHBondContact O-CB 3.28Å
30L95.5Very high92.7Very high40 Ų4076.2 Ų76.221%0.20939%0.391CS..Hα-helixtrans-72.9-45.7175.2-65.2172.1000110.9Y27 A32 L33 Y42 R68Y27-L30 HydrophobicContact CD1-CD1 4Å; Y27-L30 WeakPolarHBondContact O-CB 3.47Å; Y27-L30 PolarHBondContact O-N 2.97Å; L30-A32 PolarHBondContact O-N 3.01Å; L30-L33 VanDerWaalsContact O-CB 3.26Å; L30-L33 WeakPolarHBondContact O-CB 3.35Å; L30-L33 WeakPolarHBondContact O-CG 3.44Å; L30-L33 PolarHBondContact O-N 3.28Å; L30-Y42 HydrophobicContact CB-CD1 4.25Å; L30-Y42 HydrophobicContact CB-CE1 3.58Å; L30-Y42 HydrophobicContact CB-CE2 4.24Å; L30-Y42 HydrophobicContact CD1-CE1 4.29Å; L30-Y42 WeakPolarHBondContact CD1-OH 3.43Å; L30-Y42 HydrophobicContact CD2-CE2 4.46Å; L30-Y42 WeakPolarHBondContact CD2-OH 3.45Å; L30-Y42 HydrophobicContact CG-CE1 4.4Å; L30-R68 WeakPolarHBondContact CD1-O 3.31Å
31M94.3Very high93Very high9 Ų974 Ų744%0.04438%0.383CS..Hα-helixtrans-66-17.6175.3-68-57.6-71.600113.4M17 A19 Y27 L33 K34 Y42M17-M31 HydrophobicContact CB-SD 4.4Å; M17-M31 HydrophobicContact CG-CG 3.83Å; M17-M31 HydrophobicContact CG-SD 3.65Å; M17-M31 HydrophobicContact SD-CG 4.08Å; M17-M31 HydrophobicContact SD-SD 3.43Å; A19-M31 HydrophobicContact CB-CB 3.99Å; A19-M31 HydrophobicContact CB-CE 4.45Å; Y27-M31 WeakPolarHBondContact O-CG 3.49Å; Y27-M31 PolarHBondContact O-N 2.86Å; M31-L33 PolarHBondContact O-N 2.66Å; M31-K34 HydrophobicContact CE-CD 4.25Å; M31-K34 WeakPolarHBondContact O-CB 3.28Å; M31-K34 PolarHBondContact O-N 3.27Å; M31-K34 VanDerWaalsContact O-N 3.16Å; M31-Y42 HydrophobicContact SD-CD1 3.83Å; M31-Y42 HydrophobicContact SD-CG 4.42Å
32A93.8Very high93.3Very high30 Ų3070 Ų7025%0.24836%0.358CS..Hα-helixtrans-62.3-27.5171.100000112.2S28 R29 L30 K34 R35 M36S28-A32 PolarHBondContact O-N 3Å; R29-A32 WeakPolarHBondContact O-CB 3.28Å; L30-A32 PolarHBondContact O-N 3.01Å; A32-K34 PolarHBondContact O-N 3.14Å; A32-R35 WeakPolarHBondContact O-CA 3.42Å; A32-R35 WeakPolarHBondContact O-CB 3.09Å; A32-R35 PolarHBondContact O-N 3.29Å; A32-M36 WeakPolarHBondContact O-CG 3.25Å; A32-M36 PolarHBondContact O-N 2.89Å
33L93.8Very high93.6Very high56 Ų5668.4 Ų68.429%0.29335%0.352SS..Hα-helixtrans-58.4-32.5174.2-68.2168.6000112.5L30 M31 G37 I38 V39 Y42L30-L33 VanDerWaalsContact O-CB 3.26Å; L30-L33 WeakPolarHBondContact O-CB 3.35Å; L30-L33 WeakPolarHBondContact O-CG 3.44Å; L30-L33 PolarHBondContact O-N 3.28Å; M31-L33 PolarHBondContact O-N 2.66Å; L33-G37 PolarHBondContact O-N 3.42Å; L33-I38 HydrophobicContact CD2-CB 4.31Å; L33-I38 HydrophobicContact CD2-CG2 4.43Å; L33-I38 PolarHBondContact O-N 3.2Å; L33-V39 HydrophobicContact CB-CB 4.24Å; L33-V39 HydrophobicContact CB-CG2 4.18Å; L33-V39 HydrophobicContact CD1-CG2 4.39Å; L33-V39 PolarHBondContact O-N 3.07Å; L33-Y42 HydrophobicContact CB-CD2 4.45Å; L33-Y42 HydrophobicContact CD1-CD2 3.8Å; L33-Y42 HydrophobicContact CD1-CE2 3.75Å
34K92.2Very high94Very high82 Ų8263.6 Ų63.636%0.35733%0.326SS..Hα-helixtrans-69.6-40.5173.6-174.3172.4-178.2167.70112.2M31 A32 M36 G37 V39 K40 E43M31-K34 HydrophobicContact CE-CD 4.25Å; M31-K34 WeakPolarHBondContact O-CB 3.28Å; M31-K34 PolarHBondContact O-N 3.27Å; M31-K34 VanDerWaalsContact O-N 3.16Å; A32-K34 PolarHBondContact O-N 3.14Å; K34-M36 VanDerWaalsContact C-N 3.35Å; K34-G37 PolarHBondContact O-N 3.41Å; K34-V39 WeakPolarHBondContact CA-O 3.32Å; K34-V39 WeakPolarHBondContact CB-O 3.33Å; K34-K40 WeakPolarHBondContact CD-O 3.34Å; K34-K40 WeakPolarHBondContact CE-O 3.35Å; K34-E43 IonicContact NZ-OE1 3.22Å; K34-E43 PolarHBondContact NZ-OE1 3.29Å; K34-E43 IonicContact NZ-OE2 3.8Å; K34-E43 PolarHBondContact NZ-OE2 3.49Å
35R89.9Confident94.4Very high159 Ų15958.5 Ų58.560%0.629%0.291SS*.Hα-helixtrans-68.4-34.5176.1-65-177.6176.5174.7-0112.7A19 V21 A32 G37A19-R35 PolarHBondContact O-NH2 3.45Å; V21-R35 VanDerWaalsContact CG2-NH1 3.33Å; A32-R35 WeakPolarHBondContact O-CA 3.42Å; A32-R35 WeakPolarHBondContact O-CB 3.09Å; A32-R35 PolarHBondContact O-N 3.29Å; R35-G37 PolarHBondContact O-N 3.06Å
36M92.8Very high94.6Very high137 Ų13760.6 Ų60.668%0.67530%0.297SS*.THydrogen-bonded Turntrans-77.8-2.3176.4-66174.869.100113A32 K34 I38A32-M36 WeakPolarHBondContact O-CG 3.25Å; A32-M36 PolarHBondContact O-N 2.89Å; K34-M36 VanDerWaalsContact C-N 3.35Å; M36-I38 HydrophobicContact CB-CG1 4.05Å; M36-I38 PolarHBondContact O-N 3.06Å
37G92.8Very high94.8Very high51 Ų5163.1 Ų63.153%0.52631%0.307SS..THydrogen-bonded Turntrans746.7179.500000115L33 K34 R35L33-G37 PolarHBondContact O-N 3.42Å; K34-G37 PolarHBondContact O-N 3.41Å; R35-G37 PolarHBondContact O-N 3.06Å
38I94.6Very high95Very high90 Ų9064.8 Ų64.846%0.46231%0.314SS..SBendtrans-76.6-45.5-178.2-54.5-59.6000111.2L33 M36 F265L33-I38 HydrophobicContact CD2-CB 4.31Å; L33-I38 HydrophobicContact CD2-CG2 4.43Å; L33-I38 PolarHBondContact O-N 3.2Å; M36-I38 HydrophobicContact CB-CG1 4.05Å; M36-I38 PolarHBondContact O-N 3.06Å; I38-F265 HydrophobicContact CG2-CD2 4.31Å; I38-F265 WeakPolarHBondContact O-CB 3.42Å
39V95.2Very high95.2Very high1 Ų164.6 Ų64.61%0.00631%0.313CS..  trans-129.2104.9-179.4-172.50000109.3L33 K34 N41 Y42 L263 F265L33-V39 HydrophobicContact CB-CB 4.24Å; L33-V39 HydrophobicContact CB-CG2 4.18Å; L33-V39 HydrophobicContact CD1-CG2 4.39Å; L33-V39 PolarHBondContact O-N 3.07Å; K34-V39 WeakPolarHBondContact CA-O 3.32Å; K34-V39 WeakPolarHBondContact CB-O 3.33Å; V39-N41 VanDerWaalsContact C-N 3.27Å; V39-N41 PolarHBondContact O-N 2.92Å; V39-Y42 HydrophobicContact CB-CD2 4.41Å; V39-Y42 HydrophobicContact CG1-CD2 4.26Å; V39-L263 HydrophobicContact CG1-CB 3.88Å; V39-L263 HydrophobicContact CG1-CD1 4.02Å; V39-L263 HydrophobicContact CG1-CG 4.44Å; V39-F265 HydrophobicContact CG1-CD1 4.19Å; V39-F265 HydrophobicContact CG2-CB 4.33Å; V39-F265 HydrophobicContact CG2-CD1 3.64Å; V39-F265 HydrophobicContact CG2-CD2 4.06Å; V39-F265 HydrophobicContact CG2-CE1 3.85Å; V39-F265 HydrophobicContact CG2-CE2 4.27Å; V39-F265 HydrophobicContact CG2-CG 3.75Å; V39-F265 HydrophobicContact CG2-CZ 4.18Å
40K94.4Very high95.5Very high172 Ų17257.4 Ų57.475%0.74829%0.286SS*.THydrogen-bonded Turntrans-68.5-24.9-170.7-62.4-179.5-177.71770113.6K34K34-K40 WeakPolarHBondContact CD-O 3.34Å; K34-K40 WeakPolarHBondContact CE-O 3.35Å
41N95.6Very high95.6Very high50 Ų5055.5 Ų55.527%0.26728%0.276SS..THydrogen-bonded Turntrans-134.542.1-168.761.5-40.2000111.8V39 E43 D44 L263V39-N41 VanDerWaalsContact C-N 3.27Å; V39-N41 PolarHBondContact O-N 2.92Å; N41-E43 PolarHBondContact O-N 3.03Å; N41-D44 WeakPolarHBondContact CB-OD2 3.34Å; N41-D44 PolarHBondContact ND2-OD2 2.81Å; N41-D44 WeakPolarHBondContact O-CB 3.49Å; N41-D44 PolarHBondContact O-N 3.35Å; N41-L263 PolarHBondContact OD1-O 3.36Å
42Y97Very high95.8Very high2 Ų255.1 Ų55.11%0.00827%0.274CS..G310 helixtrans-52.9-35-174.1-172.7-82.1000113.2M17 L30 M31 L33 V39 D44 I45 C69 L263M17-Y42 HydrophobicContact CE-CE1 4.22Å; M17-Y42 HydrophobicContact SD-CD1 3.59Å; M17-Y42 VanDerWaalsContact SD-CD1 3.59Å; M17-Y42 HydrophobicContact SD-CE1 3.71Å; L30-Y42 HydrophobicContact CB-CD1 4.25Å; L30-Y42 HydrophobicContact CB-CE1 3.58Å; L30-Y42 HydrophobicContact CB-CE2 4.24Å; L30-Y42 HydrophobicContact CD1-CE1 4.29Å; L30-Y42 WeakPolarHBondContact CD1-OH 3.43Å; L30-Y42 HydrophobicContact CD2-CE2 4.46Å; L30-Y42 WeakPolarHBondContact CD2-OH 3.45Å; L30-Y42 HydrophobicContact CG-CE1 4.4Å; M31-Y42 HydrophobicContact SD-CD1 3.83Å; M31-Y42 HydrophobicContact SD-CG 4.42Å; L33-Y42 HydrophobicContact CB-CD2 4.45Å; L33-Y42 HydrophobicContact CD1-CD2 3.8Å; L33-Y42 HydrophobicContact CD1-CE2 3.75Å; V39-Y42 HydrophobicContact CB-CD2 4.41Å; V39-Y42 HydrophobicContact CG1-CD2 4.26Å; Y42-D44 PolarHBondContact O-N 3.24Å; Y42-D44 VanDerWaalsContact O-N 3.14Å; Y42-I45 HydrophobicContact CD1-CG2 4.38Å; Y42-I45 HydrophobicContact CE1-CG2 3.94Å; Y42-I45 WeakPolarHBondContact O-CB 3.43Å; Y42-I45 WeakPolarHBondContact O-CG2 3.18Å; Y42-I45 PolarHBondContact O-N 3.28Å; Y42-I45 VanDerWaalsContact O-N 3.13Å; Y42-C69 WeakPolarHBondContact OH-CA 3.44Å; Y42-C69 PolarHBondContact OH-O 2.65Å; Y42-L263 HydrophobicContact CD2-CD1 4.17Å; Y42-L263 HydrophobicContact CE2-CD1 4.31Å
43E96.1Very high96.1Very high67 Ų6753.9 Ų53.931%0.31326%0.263SS..G310 helixtrans-57.9-24.9178.459.9-97.3-12900114.6M17 K34 N41 I45 R46M17-E43 HydrophobicContact CB-CB 4.47Å; K34-E43 IonicContact NZ-OE1 3.22Å; K34-E43 PolarHBondContact NZ-OE1 3.29Å; K34-E43 IonicContact NZ-OE2 3.8Å; K34-E43 PolarHBondContact NZ-OE2 3.49Å; N41-E43 PolarHBondContact O-N 3.03Å; E43-I45 PolarHBondContact O-N 3.23Å; E43-I45 VanDerWaalsContact O-N 3.07Å; E43-R46 PolarHBondContact O-N 2.95Å; E43-R46 VanDerWaalsContact O-N 3.17Å
44D97.3Very high96.2Very high53 Ų5351.6 Ų51.628%0.28325%0.253SS..G310 helixtrans-63-16.2178.8-69.3-7.2000111.8N41 Y42 R46 L47 F48 L263N41-D44 WeakPolarHBondContact CB-OD2 3.34Å; N41-D44 PolarHBondContact ND2-OD2 2.81Å; N41-D44 WeakPolarHBondContact O-CB 3.49Å; N41-D44 PolarHBondContact O-N 3.35Å; Y42-D44 PolarHBondContact O-N 3.24Å; Y42-D44 VanDerWaalsContact O-N 3.14Å; D44-R46 PolarHBondContact O-N 3.31Å; D44-L47 HydrophobicContact CB-CD1 4.24Å; D44-L47 VanDerWaalsContact O-CB 3.29Å; D44-L47 WeakPolarHBondContact O-CB 3.4Å; D44-L47 PolarHBondContact O-N 3.03Å; D44-F48 HydrophobicContact CB-CE2 4.19Å; D44-F48 VanDerWaalsContact O-CD2 3.23Å; D44-F48 WeakPolarHBondContact O-CD2 3.49Å; D44-F48 WeakPolarHBondContact O-CE2 3.49Å; D44-L263 HydrophobicContact CB-CD2 4.22Å
45I98.1Very high96.5Very high0 Ų047.7 Ų47.70%024%0.236CC..G310 helixtrans-53.1-29.9173.9-164.956.4000112.3M17 Y42 E43 L47 F48 I71 G72 L259 L262 L263M17-I45 HydrophobicContact CE-CG2 3.77Å; Y42-I45 HydrophobicContact CD1-CG2 4.38Å; Y42-I45 HydrophobicContact CE1-CG2 3.94Å; Y42-I45 WeakPolarHBondContact O-CB 3.43Å; Y42-I45 WeakPolarHBondContact O-CG2 3.18Å; Y42-I45 PolarHBondContact O-N 3.28Å; Y42-I45 VanDerWaalsContact O-N 3.13Å; E43-I45 PolarHBondContact O-N 3.23Å; E43-I45 VanDerWaalsContact O-N 3.07Å; I45-L47 PolarHBondContact O-N 3.33Å; I45-F48 HydrophobicContact CD1-CD2 4.39Å; I45-F48 PolarHBondContact O-N 3.01Å; I45-I71 HydrophobicContact CD1-CD1 3.78Å; I45-I71 HydrophobicContact CG1-CD1 4.34Å; I45-I71 WeakPolarHBondContact O-CA 3.49Å; I45-G72 PolarHBondContact O-N 3.31Å; I45-L259 HydrophobicContact CD1-CD2 3.7Å; I45-L259 HydrophobicContact CG1-CD2 4.39Å; I45-L262 HydrophobicContact CD1-CD1 4.4Å; I45-L263 HydrophobicContact CB-CD1 4.46Å; I45-L263 HydrophobicContact CB-CD2 4.13Å; I45-L263 HydrophobicContact CD1-CD1 4.42Å
46R97.5Very high96.7Very high58 Ų5840.9 Ų40.922%0.21922%0.216CC..G310 helixtrans-72.6-13.2177.6-65.8-169.673.2155.23.2114.2I14 P15 M17 E43 D44 G70 G72 L143I14-R46 PolarHBondContact O-NH1 3.11Å; I14-R46 PolarHBondContact O-NH2 3.05Å; P15-R46 PolarHBondContact O-NH1 2.71Å; M17-R46 HydrophobicContact CE-CG 3.78Å; E43-R46 PolarHBondContact O-N 2.95Å; E43-R46 VanDerWaalsContact O-N 3.17Å; D44-R46 PolarHBondContact O-N 3.31Å; R46-G70 WeakPolarHBondContact CG-O 3.42Å; R46-G72 WeakPolarHBondContact O-CA 3.41Å; R46-L143 WeakPolarHBondContact O-CD1 3.42Å
47L97.7Very high96.7Very high114 Ų11434.6 Ų34.660%0.59719%0.186SC*.G310 helixtrans-87.8-15.5-178.9-55.5179000112.3D44 I45D44-L47 HydrophobicContact CB-CD1 4.24Å; D44-L47 VanDerWaalsContact O-CB 3.29Å; D44-L47 WeakPolarHBondContact O-CB 3.4Å; D44-L47 PolarHBondContact O-N 3.03Å; I45-L47 PolarHBondContact O-N 3.33Å
48F98.6Very high96.9Very high35 Ų3532.8 Ų32.815%0.15417%0.165CC..  trans-94.9147.8-173.2-55.8-63.2000113.3D44 I45 I71 G72 K73 D149 L262 L263D44-F48 HydrophobicContact CB-CE2 4.19Å; D44-F48 VanDerWaalsContact O-CD2 3.23Å; D44-F48 WeakPolarHBondContact O-CD2 3.49Å; D44-F48 WeakPolarHBondContact O-CE2 3.49Å; I45-F48 HydrophobicContact CD1-CD2 4.39Å; I45-F48 PolarHBondContact O-N 3.01Å; F48-I71 HydrophobicContact CB-CD1 3.81Å; F48-G72 WeakPolarHBondContact O-CA 3.33Å; F48-G72 PolarHBondContact O-N 3.45Å; F48-K73 PolarHBondContact O-N 3.27Å; F48-K73 VanDerWaalsContact O-N 3.11Å; F48-D149 VanDerWaalsContact CA-OD2 3.24Å; F48-D149 WeakPolarHBondContact CA-OD2 3.49Å; F48-D149 HydrophobicContact CB-CB 4.3Å; F48-D149 HydrophobicContact CD1-CB 4.08Å; F48-D149 WeakPolarHBondContact CD1-OD1 3.49Å; F48-L262 HydrophobicContact CB-CD1 3.93Å; F48-L262 HydrophobicContact CB-CD2 4.36Å; F48-L262 HydrophobicContact CD1-CD2 3.97Å; F48-L262 HydrophobicContact CD2-CB 3.8Å; F48-L262 HydrophobicContact CD2-CD1 4.05Å; F48-L262 HydrophobicContact CD2-CD2 4.36Å; F48-L262 HydrophobicContact CD2-CG 4.29Å; F48-L262 HydrophobicContact CE1-CD2 4.34Å; F48-L262 HydrophobicContact CE2-CB 3.81Å; F48-L262 WeakPolarHBondContact CE2-O 3.45Å; F48-L262 HydrophobicContact CG-CB 4.28Å; F48-L262 HydrophobicContact CG-CD1 4.04Å; F48-L262 HydrophobicContact CG-CD2 3.97Å; F48-L262 HydrophobicContact CG-CG 4.32Å; F48-L262 HydrophobicContact CZ-CB 4.26Å; F48-L262 WeakPolarHBondContact CZ-O 3.3Å; F48-L263 HydrophobicContact CE2-CD2 4.06Å
49T98.8Very high97.1Very high0 Ų028.5 Ų28.50%014%0.143CC..EExtended strand (participates in β ladder)trans-116.3127.5172.6-54.90000110.2K73 I75 S142 L143 V148 D149T49-K73 WeakPolarHBondContact CA-O 3.44Å; T49-K73 HydrophobicContact CG2-CB 3.83Å; T49-K73 HydrophobicContact CG2-CD 3.92Å; T49-K73 HydrophobicContact CG2-CG 3.85Å; T49-I75 HydrophobicContact CG2-CD1 4.05Å; T49-I75 HydrophobicContact CG2-CG1 4.18Å; T49-S142 WeakPolarHBondContact OG1-CA 3.41Å; T49-L143 PolarHBondContact OG1-N 3.49Å; T49-V148 HydrophobicContact CG2-CB 4.33Å; T49-V148 HydrophobicContact CG2-CG1 3.86Å; T49-D149 PolarHBondContact N-OD2 3.17Å; T49-D149 PolarHBondContact O-N 2.92Å
50V98.8Very high97.2Very high0 Ų028.5 Ų28.50%014%0.143CC..EExtended strand (participates in β ladder)trans-121130.6179.1178.40000110.3V52 L66 I71 K73 L74 I75 L150 L152 L262V50-V52 HydrophobicContact CG1-CG2 4.33Å; V50-L66 HydrophobicContact CB-CD1 4.4Å; V50-L66 HydrophobicContact CG1-CD1 4.05Å; V50-I71 HydrophobicContact CG2-CD1 3.91Å; V50-I71 HydrophobicContact CG2-CG1 4.24Å; V50-K73 PolarHBondContact N-O 3.38Å; V50-L74 HydrophobicContact CB-CD2 4Å; V50-L74 WeakPolarHBondContact O-CA 3.29Å; V50-I75 PolarHBondContact O-N 3.17Å; V50-L150 WeakPolarHBondContact CA-O 3.25Å; V50-L150 HydrophobicContact CG2-CB 4.4Å; V50-L152 HydrophobicContact CG1-CD1 3.59Å; V50-L152 HydrophobicContact CG1-CD2 4.33Å; V50-L152 HydrophobicContact CG1-CG 3.58Å; V50-L262 HydrophobicContact CG2-CD1 4.13Å
51V98.8Very high97.4Very high0 Ų020.7 Ų20.70%011%0.11CC..EExtended strand (participates in β ladder)trans-90.3132.7170.2178.90000108.7V53 I75 F77 F134 I138 V148 L150 V151 L152V51-V53 HydrophobicContact CG1-CG2 4.12Å; V51-I75 CarbonylContact C-O 3.31Å; V51-I75 VanDerWaalsContact CA-O 3.31Å; V51-I75 WeakPolarHBondContact CA-O 3.3Å; V51-I75 HydrophobicContact CG2-CB 4.09Å; V51-I75 HydrophobicContact CG2-CD1 4.15Å; V51-F77 HydrophobicContact CG1-CD2 3.75Å; V51-F77 HydrophobicContact CG1-CE2 3.84Å; V51-F134 HydrophobicContact CG1-CE2 4.08Å; V51-I138 HydrophobicContact CG2-CG1 4.5Å; V51-V148 HydrophobicContact CG2-CB 4.15Å; V51-V148 HydrophobicContact CG2-CG1 3.87Å; V51-V148 HydrophobicContact CG2-CG2 3.79Å; V51-L150 PolarHBondContact N-O 3.46Å; V51-V151 HydrophobicContact CB-CB 4.41Å; V51-V151 HydrophobicContact CB-CG1 4.32Å; V51-V151 HydrophobicContact CB-CG2 4.05Å; V51-V151 HydrophobicContact CG1-CG1 4.32Å; V51-V151 HydrophobicContact CG2-CG2 4.35Å; V51-V151 CarbonylContact O-C 3.41Å; V51-V151 WeakPolarHBondContact O-CA 3.43Å; V51-L152 PolarHBondContact O-N 2.85Å
52V98.8Very high97.5Very high0 Ų018.3 Ų18.30%010%0.097CC..EExtended strand (participates in β ladder)trans-118.6121.4173.1-174.90000108.7V50 V62 L74 I75 L76 F77 L152V50-V52 HydrophobicContact CG1-CG2 4.33Å; V52-V62 HydrophobicContact CG2-CG1 4.44Å; V52-L74 HydrophobicContact CG2-CD2 4.49Å; V52-I75 PolarHBondContact N-O 2.87Å; V52-L76 HydrophobicContact CB-CD2 3.87Å; V52-L76 HydrophobicContact CG2-CD2 4.14Å; V52-L76 WeakPolarHBondContact O-CA 3.39Å; V52-F77 PolarHBondContact O-N 3.08Å; V52-L152 HydrophobicContact CG2-CD1 4.26Å
53V98.6Very high97.6Very high4 Ų418.2 Ų18.22%0.02410%0.097CC..EExtended strand (participates in β ladder)trans-106.7120.8178.4-169.10000109V51 F77 I125 F134 V151 L152 C154 V155 V164V51-V53 HydrophobicContact CG1-CG2 4.12Å; V53-F77 HydrophobicContact CG1-CB 4.34Å; V53-I125 HydrophobicContact CG1-CD1 3.61Å; V53-I125 HydrophobicContact CG1-CG1 4.39Å; V53-F134 HydrophobicContact CG2-CE2 3.53Å; V53-F134 HydrophobicContact CG2-CZ 3.77Å; V53-V151 HydrophobicContact CG2-CG1 4.19Å; V53-L152 PolarHBondContact N-O 3.04Å; V53-C154 CarbonylContact O-C 3.52Å; V53-C154 WeakPolarHBondContact O-CA 3.49Å; V53-C154 PolarHBondContact O-N 3.37Å; V53-V155 HydrophobicContact CB-CG1 4.15Å; V53-V155 HydrophobicContact CG1-CG1 3.56Å; V53-V155 WeakPolarHBondContact O-CG1 2.91Å; V53-V155 PolarHBondContact O-N 2.95Å; V53-V164 HydrophobicContact CB-CG2 4.31Å; V53-V164 HydrophobicContact CG1-CG2 4.16Å; V53-V164 HydrophobicContact CG2-CG2 4.11Å
54G97.8Very high97.7Very high8 Ų817 Ų178%0.0829%0.091CC..  trans83.8103.2-170.800000111.2G56 G59 F77 C154G54-G56 VanDerWaalsContact C-N 3.28Å; G54-G56 PolarHBondContact O-N 3.11Å; G54-G59 WeakPolarHBondContact O-CA 3.22Å; G54-F77 PolarHBondContact N-O 3.43Å; G54-C154 WeakPolarHBondContact O-CB 3.33Å
55V97Very high97.8Very high0 Ų017.5 Ų17.50%09%0.092CC..  trans-99.349.2174.5-165.80000109.1L76 D78 F92 V102 A105V55-L76 HydrophobicContact CG2-CB 3.98Å; V55-D78 WeakPolarHBondContact CA-OD2 3.38Å; V55-D78 HydrophobicContact CB-CB 4.28Å; V55-D78 HydrophobicContact CG2-CB 4.2Å; V55-D78 PolarHBondContact N-OD2 3.37Å; V55-F92 HydrophobicContact CG1-CZ 4.06Å; V55-F92 VanDerWaalsContact O-CE2 3.25Å; V55-F92 WeakPolarHBondContact O-CE2 3.21Å; V55-F92 WeakPolarHBondContact O-CZ 3.02Å; V55-V102 HydrophobicContact CG2-CG1 4.05Å; V55-A105 HydrophobicContact CG1-CB 3.79Å
56G94.1Very high97.8Very high16 Ų1617.5 Ų17.517%0.1659%0.092CC..SBendtrans-87.7-145.2174.800000112.4G54 V58 S60G54-G56 VanDerWaalsContact C-N 3.28Å; G54-G56 PolarHBondContact O-N 3.11Å; G56-V58 PolarHBondContact O-N 3.12Å; G56-S60 WeakPolarHBondContact O-CB 3.15Å; G56-S60 PolarHBondContact O-N 3.05Å; G56-S60 PolarHBondContact O-OG 2.91Å
57G93.4Very high97.9Very high6 Ų614.8 Ų14.86%0.0628%0.082CC..Hα-helixtrans-64.8-39.1-176.700000115.2V61G57-V61 WeakPolarHBondContact O-CG2 3.44Å
58V96.8Very high97.9Very high13 Ų1315.6 Ų15.68%0.0798%0.077CC..Hα-helixtrans-82.5-50.8175.8177.40000110.2G56 S60 V61 V62 C154 V180 M247 I250 A251G56-V58 PolarHBondContact O-N 3.12Å; V58-S60 PolarHBondContact O-N 3.12Å; V58-V61 PolarHBondContact O-N 3.44Å; V58-V62 HydrophobicContact CG1-CG2 3.99Å; V58-V62 VanDerWaalsContact O-CG2 3.26Å; V58-V62 WeakPolarHBondContact O-CG2 3.31Å; V58-V62 PolarHBondContact O-N 2.85Å; V58-C154 HydrophobicContact CB-CB 4.5Å; V58-C154 HydrophobicContact CG1-CB 4.47Å; V58-V180 HydrophobicContact CG2-CG2 3.78Å; V58-M247 HydrophobicContact CG2-CB 4.3Å; V58-M247 HydrophobicContact CG2-CG 4.23Å; V58-I250 HydrophobicContact CG1-CG2 4.16Å; V58-I250 HydrophobicContact CG2-CG2 4.39Å; V58-A251 HydrophobicContact CG1-CB 4.22Å
59G98Very high97.9Very high0 Ų014.7 Ų14.70%08%0.075CC..Hα-helixtrans-65.5-31.7-172.400000115.2G54 V62 A63G54-G59 WeakPolarHBondContact O-CA 3.22Å; G59-V62 PolarHBondContact O-N 3.34Å; G59-A63 WeakPolarHBondContact O-CB 3.12Å; G59-A63 PolarHBondContact O-N 3.31Å
60S97.9Very high97.9Very high0 Ų014.8 Ų14.80%08%0.076CC..Hα-helixtrans-65.7-43.6175.768.20000112G56 V58 A63 E64 F91G56-S60 WeakPolarHBondContact O-CB 3.15Å; G56-S60 PolarHBondContact O-N 3.05Å; G56-S60 PolarHBondContact O-OG 2.91Å; V58-S60 PolarHBondContact O-N 3.12Å; S60-A63 PolarHBondContact O-N 3.45Å; S60-E64 PolarHBondContact O-N 3.42Å; S60-F91 WeakPolarHBondContact OG-CB 3.38Å
61V98.3Very high97.8Very high8 Ų814.8 Ų14.85%0.0488%0.076CC..Hα-helixtrans-68.1-40.4176.8-178.20000110.8G57 V58 E64 M65 L90 A251G57-V61 WeakPolarHBondContact O-CG2 3.44Å; V58-V61 PolarHBondContact O-N 3.44Å; V61-E64 PolarHBondContact O-N 3.46Å; V61-M65 HydrophobicContact CG1-CE 3.72Å; V61-M65 HydrophobicContact CG1-CG 4.37Å; V61-M65 HydrophobicContact CG1-SD 4.14Å; V61-M65 WeakPolarHBondContact O-CB 3.14Å; V61-M65 WeakPolarHBondContact O-CG 3.25Å; V61-M65 PolarHBondContact O-N 3.04Å; V61-L90 HydrophobicContact CG2-CB 3.67Å; V61-L90 HydrophobicContact CG2-CD1 4Å; V61-L90 HydrophobicContact CG2-CG 4.41Å; V61-A251 HydrophobicContact CB-CB 3.76Å; V61-A251 HydrophobicContact CG1-CB 3.63Å
62V98.7Very high97.8Very high0 Ų015.1 Ų15.10%08%0.079CC..Hα-helixtrans-57.8-48.9173.21670000110.8V52 V58 G59 E64 M65 L66 L152 A251 L254 V255V52-V62 HydrophobicContact CG2-CG1 4.44Å; V58-V62 HydrophobicContact CG1-CG2 3.99Å; V58-V62 VanDerWaalsContact O-CG2 3.26Å; V58-V62 WeakPolarHBondContact O-CG2 3.31Å; V58-V62 PolarHBondContact O-N 2.85Å; G59-V62 PolarHBondContact O-N 3.34Å; V62-E64 VanDerWaalsContact C-N 3.33Å; V62-E64 PolarHBondContact O-N 3.21Å; V62-M65 PolarHBondContact O-N 3.46Å; V62-L66 HydrophobicContact CG1-CD1 3.99Å; V62-L66 WeakPolarHBondContact O-CG 3.38Å; V62-L66 PolarHBondContact O-N 3.22Å; V62-L152 HydrophobicContact CG1-CD1 3.56Å; V62-A251 HydrophobicContact CG2-CB 3.83Å; V62-L254 HydrophobicContact CG1-CD2 4.44Å; V62-L254 HydrophobicContact CG2-CB 4.47Å; V62-L254 HydrophobicContact CG2-CD2 3.71Å; V62-L254 HydrophobicContact CG2-CG 4.32Å; V62-V255 HydrophobicContact CB-CG2 4.12Å; V62-V255 HydrophobicContact CG1-CG2 3.86Å; V62-V255 HydrophobicContact CG2-CG2 4.14Å
63A98.7Very high97.8Very high0 Ų015.9 Ų15.90%08%0.083CC..Hα-helixtrans-63.2-40178.800000111.6G59 S60 T67 L74 L76 L109G59-A63 WeakPolarHBondContact O-CB 3.12Å; G59-A63 PolarHBondContact O-N 3.31Å; S60-A63 PolarHBondContact O-N 3.45Å; A63-T67 WeakPolarHBondContact O-CB 3.47Å; A63-T67 PolarHBondContact O-N 2.93Å; A63-T67 PolarHBondContact O-OG1 3.03Å; A63-L74 HydrophobicContact CB-CD1 4.27Å; A63-L76 HydrophobicContact CB-CD2 4.18Å; A63-L109 HydrophobicContact CB-CD1 3.82Å
64E98.7Very high97.8Very high42 Ų4215.7 Ų15.720%0.1968%0.081CC..Hα-helixtrans-61.9-50.1174.1-176.5177.8171.900112.3S60 V61 V62 L66 T67 R68 F91 L109 I112S60-E64 PolarHBondContact O-N 3.42Å; V61-E64 PolarHBondContact O-N 3.46Å; V62-E64 VanDerWaalsContact C-N 3.33Å; V62-E64 PolarHBondContact O-N 3.21Å; E64-L66 PolarHBondContact O-N 3.43Å; E64-T67 WeakPolarHBondContact O-CB 3.29Å; E64-T67 PolarHBondContact O-N 3.25Å; E64-R68 HydrophobicContact CG-CG 4.45Å; E64-R68 WeakPolarHBondContact O-CG 3.43Å; E64-R68 PolarHBondContact O-N 2.73Å; E64-R68 IonicContact OE1-CZ 3.78Å; E64-R68 IonicContact OE1-NE 3.55Å; E64-R68 PolarHBondContact OE1-NE 3.28Å; E64-R68 IonicContact OE1-NH2 3.62Å; E64-R68 PolarHBondContact OE1-NH2 3.36Å; E64-F91 HydrophobicContact CB-CD2 3.96Å; E64-F91 HydrophobicContact CB-CE2 4.07Å; E64-F91 HydrophobicContact CG-CD2 4.49Å; E64-F91 WeakPolarHBondContact OE2-CD2 3.42Å; E64-L109 VanDerWaalsContact CA-CD2 3.49Å; E64-L109 HydrophobicContact CB-CD2 4.08Å; E64-I112 HydrophobicContact CG-CD1 4.01Å
65M98.7Very high97.9Very high64 Ų6415.3 Ų15.332%0.3158%0.077SC..Hα-helixtrans-60.4-47.3-179.9-73.7176.8173.500111.4V61 V62 T67 R68 C69 V255V61-M65 HydrophobicContact CG1-CE 3.72Å; V61-M65 HydrophobicContact CG1-CG 4.37Å; V61-M65 HydrophobicContact CG1-SD 4.14Å; V61-M65 WeakPolarHBondContact O-CB 3.14Å; V61-M65 WeakPolarHBondContact O-CG 3.25Å; V61-M65 PolarHBondContact O-N 3.04Å; V62-M65 PolarHBondContact O-N 3.46Å; M65-T67 VanDerWaalsContact C-N 3.31Å; M65-T67 PolarHBondContact O-N 3.45Å; M65-R68 PolarHBondContact O-N 2.96Å; M65-C69 PolarHBondContact O-N 3Å; M65-C69 PolarHBondContact O-SG 3.17Å; M65-V255 HydrophobicContact CB-CB 4.29Å; M65-V255 HydrophobicContact CB-CG1 4.01Å; M65-V255 HydrophobicContact CB-CG2 3.97Å; M65-V255 HydrophobicContact SD-CB 4.26Å; M65-V255 HydrophobicContact SD-CG2 4.2Å
66L98.7Very high97.9Very high0 Ų015.3 Ų15.30%08%0.077CC..Hα-helixtrans-61.6-39.3176-70.6172.5000112.1V50 V62 E64 C69 G70 I71 L74 L152 V255 V258V50-L66 HydrophobicContact CB-CD1 4.4Å; V50-L66 HydrophobicContact CG1-CD1 4.05Å; V62-L66 HydrophobicContact CG1-CD1 3.99Å; V62-L66 WeakPolarHBondContact O-CG 3.38Å; V62-L66 PolarHBondContact O-N 3.22Å; E64-L66 PolarHBondContact O-N 3.43Å; L66-C69 PolarHBondContact O-N 2.87Å; L66-G70 PolarHBondContact O-N 3.17Å; L66-G70 VanDerWaalsContact O-N 3.17Å; L66-I71 HydrophobicContact CB-CB 4.27Å; L66-I71 HydrophobicContact CB-CG2 4.01Å; L66-I71 WeakPolarHBondContact O-CB 3.45Å; L66-I71 WeakPolarHBondContact O-CG2 3.2Å; L66-I71 PolarHBondContact O-N 3.49Å; L66-I71 VanDerWaalsContact O-N 3.12Å; L66-L74 HydrophobicContact CB-CD1 4.42Å; L66-L74 HydrophobicContact CB-CD2 4.2Å; L66-L74 HydrophobicContact CD1-CD2 3.94Å; L66-L152 HydrophobicContact CD1-CD1 3.89Å; L66-V255 HydrophobicContact CD2-CG1 3.92Å; L66-V255 HydrophobicContact CG-CG1 4.28Å; L66-V255 HydrophobicContact CG-CG2 4.16Å; L66-V258 HydrophobicContact CD2-CG1 3.89Å
67T98.7Very high98.2Very high0 Ų014.7 Ų14.70%07%0.07CC..Hα-helixtrans-63.2-43.4176.3-64.40000111.5A63 E64 M65 G70 L74 L109 I112 N113 V116A63-T67 WeakPolarHBondContact O-CB 3.47Å; A63-T67 PolarHBondContact O-N 2.93Å; A63-T67 PolarHBondContact O-OG1 3.03Å; E64-T67 WeakPolarHBondContact O-CB 3.29Å; E64-T67 PolarHBondContact O-N 3.25Å; M65-T67 VanDerWaalsContact C-N 3.31Å; M65-T67 PolarHBondContact O-N 3.45Å; T67-G70 PolarHBondContact O-N 2.98Å; T67-L74 VanDerWaalsContact OG1-CD1 3.27Å; T67-L74 WeakPolarHBondContact OG1-CD1 3.37Å; T67-L109 HydrophobicContact CG2-CB 4.13Å; T67-L109 HydrophobicContact CG2-CD2 4.17Å; T67-L109 WeakPolarHBondContact CG2-O 3.18Å; T67-I112 HydrophobicContact CG2-CB 4.36Å; T67-I112 HydrophobicContact CG2-CG2 4.1Å; T67-N113 HydrophobicContact CG2-CB 3.6Å; T67-N113 WeakPolarHBondContact O-CB 3.31Å; T67-N113 PolarHBondContact O-ND2 3.41Å; T67-V116 HydrophobicContact CG2-CG2 4.08Å
68R98.4Very high98.4Very high131 Ų13114.9 Ų14.949%0.4947%0.07SC..Hα-helixtrans-66.8-34.8175.6-70.9178.7-177.9-74.8-0.2112.3L30 E64 M65 G70 I112L30-R68 WeakPolarHBondContact CD1-O 3.31Å; E64-R68 HydrophobicContact CG-CG 4.45Å; E64-R68 WeakPolarHBondContact O-CG 3.43Å; E64-R68 PolarHBondContact O-N 2.73Å; E64-R68 IonicContact OE1-CZ 3.78Å; E64-R68 IonicContact OE1-NE 3.55Å; E64-R68 PolarHBondContact OE1-NE 3.28Å; E64-R68 IonicContact OE1-NH2 3.62Å; E64-R68 PolarHBondContact OE1-NH2 3.36Å; M65-R68 PolarHBondContact O-N 2.96Å; R68-G70 PolarHBondContact O-N 3.19Å; R68-I112 HydrophobicContact CG-CG2 3.71Å
69C98Very high98.4Very high17 Ų1719.1 Ų19.112%0.1159%0.085CC..Hα-helixtrans-66.8-20.4173.7-730000113.6Y42 M65 L66 L259Y42-C69 WeakPolarHBondContact OH-CA 3.44Å; Y42-C69 PolarHBondContact OH-O 2.65Å; M65-C69 PolarHBondContact O-N 3Å; M65-C69 PolarHBondContact O-SG 3.17Å; L66-C69 PolarHBondContact O-N 2.87Å; C69-L259 HydrophobicContact CB-CD2 4.4Å
70G97.9Very high98.2Very high1 Ų121.7 Ų21.71%0.0110%0.099CC..THydrogen-bonded Turntrans89.632.4-179.800000113.9R46 L66 T67 R68R46-G70 WeakPolarHBondContact CG-O 3.42Å; L66-G70 PolarHBondContact O-N 3.17Å; L66-G70 VanDerWaalsContact O-N 3.17Å; T67-G70 PolarHBondContact O-N 2.98Å; R68-G70 PolarHBondContact O-N 3.19Å
71I98.4Very high98.2Very high1 Ų127.9 Ų27.91%0.00513%0.126CC..  trans-51.3142.3173-167.165.7000111I45 F48 V50 L66 L74 V116 L262I45-I71 HydrophobicContact CD1-CD1 3.78Å; I45-I71 HydrophobicContact CG1-CD1 4.34Å; I45-I71 WeakPolarHBondContact O-CA 3.49Å; F48-I71 HydrophobicContact CB-CD1 3.81Å; V50-I71 HydrophobicContact CG2-CD1 3.91Å; V50-I71 HydrophobicContact CG2-CG1 4.24Å; L66-I71 HydrophobicContact CB-CB 4.27Å; L66-I71 HydrophobicContact CB-CG2 4.01Å; L66-I71 WeakPolarHBondContact O-CB 3.45Å; L66-I71 WeakPolarHBondContact O-CG2 3.2Å; L66-I71 PolarHBondContact O-N 3.49Å; L66-I71 VanDerWaalsContact O-N 3.12Å; I71-L74 HydrophobicContact CG1-CD2 4.32Å; I71-L74 HydrophobicContact CG2-CD1 4.07Å; I71-L74 HydrophobicContact CG2-CD2 3.82Å; I71-L74 HydrophobicContact CG2-CG 3.62Å; I71-V116 HydrophobicContact CG2-CG1 3.7Å; I71-V116 HydrophobicContact CG2-CG2 4.39Å; I71-V116 WeakPolarHBondContact O-CG1 3.42Å; I71-V116 WeakPolarHBondContact O-CG2 3.38Å; I71-L262 HydrophobicContact CD1-CD1 4.23Å
72G98.3Very high98.1Very high6 Ų627.6 Ų27.66%0.06212%0.124CC..SBendtrans-64.7-48.4-176.500000113.7I45 R46 F48 Q117I45-G72 PolarHBondContact O-N 3.31Å; R46-G72 WeakPolarHBondContact O-CA 3.41Å; F48-G72 WeakPolarHBondContact O-CA 3.33Å; F48-G72 PolarHBondContact O-N 3.45Å; G72-Q117 PolarHBondContact O-N 3.3Å
73K98.7Very high97.9Very high17 Ų1733.1 Ų33.17%0.07415%0.15CC..EExtended strand (participates in β ladder)trans-145.4139.3178.2-177.9175.4-179.9-174.40112.5F48 T49 V50 I75 Q117 E119 G141 L143F48-K73 PolarHBondContact O-N 3.27Å; F48-K73 VanDerWaalsContact O-N 3.11Å; T49-K73 WeakPolarHBondContact CA-O 3.44Å; T49-K73 HydrophobicContact CG2-CB 3.83Å; T49-K73 HydrophobicContact CG2-CD 3.92Å; T49-K73 HydrophobicContact CG2-CG 3.85Å; V50-K73 PolarHBondContact N-O 3.38Å; K73-I75 HydrophobicContact CG-CG1 4.42Å; K73-Q117 CarbonylContact C-O 3.57Å; K73-Q117 VanDerWaalsContact CA-O 3.26Å; K73-Q117 WeakPolarHBondContact CA-O 3.4Å; K73-Q117 HydrophobicContact CB-CB 4.02Å; K73-Q117 HydrophobicContact CD-CB 4.39Å; K73-Q117 HydrophobicContact CG-CB 3.89Å; K73-E119 WeakPolarHBondContact CE-OE2 3.35Å; K73-E119 IonicContact NZ-OE2 3.06Å; K73-E119 PolarHBondContact NZ-OE2 3.36Å; K73-G141 WeakPolarHBondContact CD-O 3.27Å; K73-G141 WeakPolarHBondContact CE-O 3.49Å; K73-G141 PolarHBondContact NZ-O 3.34Å; K73-L143 HydrophobicContact CB-CD2 3.87Å; K73-L143 HydrophobicContact CB-CG 3.97Å; K73-L143 HydrophobicContact CD-CD2 4.42Å
74L98.8Very high97.6Very high0 Ų038.7 Ų38.70%018%0.177CC..EExtended strand (participates in β ladder)trans-114.2135.2167.5-68.7179.5000110.3V50 V52 A63 L66 T67 I71 L76 V116 Q117 I118 E119V50-L74 HydrophobicContact CB-CD2 4Å; V50-L74 WeakPolarHBondContact O-CA 3.29Å; V52-L74 HydrophobicContact CG2-CD2 4.49Å; A63-L74 HydrophobicContact CB-CD1 4.27Å; L66-L74 HydrophobicContact CB-CD1 4.42Å; L66-L74 HydrophobicContact CB-CD2 4.2Å; L66-L74 HydrophobicContact CD1-CD2 3.94Å; T67-L74 VanDerWaalsContact OG1-CD1 3.27Å; T67-L74 WeakPolarHBondContact OG1-CD1 3.37Å; I71-L74 HydrophobicContact CG1-CD2 4.32Å; I71-L74 HydrophobicContact CG2-CD1 4.07Å; I71-L74 HydrophobicContact CG2-CD2 3.82Å; I71-L74 HydrophobicContact CG2-CG 3.62Å; L74-L76 HydrophobicContact CB-CD2 4.14Å; L74-V116 HydrophobicContact CD1-CG1 4.49Å; L74-V116 HydrophobicContact CG-CG1 4.27Å; L74-Q117 PolarHBondContact N-O 3.01Å; L74-I118 WeakPolarHBondContact O-CA 3.21Å; L74-E119 PolarHBondContact O-N 3.39Å
75I98.8Very high97.3Very high0 Ų040.1 Ų40.10%020%0.196CC..EExtended strand (participates in β ladder)trans-116.8115.7170.1-50.2177.2000107.6T49 V50 V51 V52 K73 F77 E119 Y121 V148T49-I75 HydrophobicContact CG2-CD1 4.05Å; T49-I75 HydrophobicContact CG2-CG1 4.18Å; V50-I75 PolarHBondContact O-N 3.17Å; V51-I75 CarbonylContact C-O 3.31Å; V51-I75 VanDerWaalsContact CA-O 3.31Å; V51-I75 WeakPolarHBondContact CA-O 3.3Å; V51-I75 HydrophobicContact CG2-CB 4.09Å; V51-I75 HydrophobicContact CG2-CD1 4.15Å; V52-I75 PolarHBondContact N-O 2.87Å; K73-I75 HydrophobicContact CG-CG1 4.42Å; I75-F77 HydrophobicContact CG2-CD2 4.2Å; I75-F77 HydrophobicContact CG2-CE2 3.5Å; I75-F77 HydrophobicContact CG2-CZ 4.19Å; I75-E119 CarbonylContact C-O 3.59Å; I75-E119 WeakPolarHBondContact CA-O 3.16Å; I75-E119 HydrophobicContact CG1-CB 4.24Å; I75-E119 HydrophobicContact CG2-CB 4.33Å; I75-E119 HydrophobicContact CG2-CG 4.44Å; I75-Y121 HydrophobicContact CG2-CD2 3.99Å; I75-Y121 HydrophobicContact CG2-CE2 3.88Å; I75-V148 HydrophobicContact CD1-CG1 4.12Å
76L98.8Very high96.9Very high0 Ų038 Ų380%019%0.187CC..EExtended strand (participates in β ladder)trans-106.5130.2-173.8-48179.8000110.8V52 V55 A63 L74 V102 A105 L109 I118 E119 V120 Y121V52-L76 HydrophobicContact CB-CD2 3.87Å; V52-L76 HydrophobicContact CG2-CD2 4.14Å; V52-L76 WeakPolarHBondContact O-CA 3.39Å; V55-L76 HydrophobicContact CG2-CB 3.98Å; A63-L76 HydrophobicContact CB-CD2 4.18Å; L74-L76 HydrophobicContact CB-CD2 4.14Å; L76-V102 HydrophobicContact CB-CB 4.46Å; L76-V102 HydrophobicContact CB-CG1 4.08Å; L76-A105 HydrophobicContact CD1-CB 4.17Å; L76-L109 HydrophobicContact CD1-CD1 4.02Å; L76-I118 HydrophobicContact CD1-CG2 4.19Å; L76-E119 PolarHBondContact N-O 3.25Å; L76-V120 HydrophobicContact CB-CG1 4.1Å; L76-V120 HydrophobicContact CD1-CG1 4.14Å; L76-V120 HydrophobicContact CG-CG1 4.31Å; L76-V120 CarbonylContact O-C 3.36Å; L76-V120 WeakPolarHBondContact O-CA 3.32Å; L76-Y121 PolarHBondContact O-N 3.33Å
77F98.7Very high96.6Very high2 Ų240.3 Ų40.31%0.00920%0.198CC..EExtended strand (participates in β ladder)trans-118.3124.3172.7-71-96.4000109.8V51 V52 V53 G54 I75 Y121 V123 I125 F134 R137V51-F77 HydrophobicContact CG1-CD2 3.75Å; V51-F77 HydrophobicContact CG1-CE2 3.84Å; V52-F77 PolarHBondContact O-N 3.08Å; V53-F77 HydrophobicContact CG1-CB 4.34Å; G54-F77 PolarHBondContact N-O 3.43Å; I75-F77 HydrophobicContact CG2-CD2 4.2Å; I75-F77 HydrophobicContact CG2-CE2 3.5Å; I75-F77 HydrophobicContact CG2-CZ 4.19Å; F77-Y121 HydrophobicContact CD1-CD2 4.23Å; F77-Y121 HydrophobicContact CD1-CG 4.06Å; F77-Y121 HydrophobicContact CE1-CD1 4.29Å; F77-Y121 AromaticContact CE1-CD2 3.58Å; F77-Y121 HydrophobicContact CE1-CD2 3.58Å; F77-Y121 HydrophobicContact CE1-CE2 4.41Å; F77-Y121 AromaticContact CE1-CG 3.52Å; F77-Y121 HydrophobicContact CE1-CG 3.52Å; F77-Y121 AromaticContact CE2-CD2 3.97Å; F77-Y121 HydrophobicContact CE2-CD2 3.97Å; F77-Y121 AromaticContact CZ-CD2 3.42Å; F77-Y121 HydrophobicContact CZ-CD2 3.42Å; F77-Y121 VanDerWaalsContact CZ-CD2 3.42Å; F77-Y121 AromaticContact CZ-CE2 3.95Å; F77-Y121 HydrophobicContact CZ-CE2 3.95Å; F77-Y121 AromaticContact CZ-CG 3.89Å; F77-Y121 HydrophobicContact CZ-CG 3.89Å; F77-V123 HydrophobicContact CD1-CG2 4.05Å; F77-V123 HydrophobicContact CE1-CG2 4.38Å; F77-I125 HydrophobicContact CB-CG2 4.18Å; F77-I125 HydrophobicContact CD1-CG2 3.75Å; F77-I125 HydrophobicContact CG-CG2 4.2Å; F77-F134 HydrophobicContact CD1-CD2 4.14Å; F77-F134 HydrophobicContact CD2-CD2 4.03Å; F77-F134 HydrophobicContact CD2-CE2 4.24Å; F77-F134 HydrophobicContact CE1-CB 4.28Å; F77-F134 AromaticContact CE1-CD2 3.99Å; F77-F134 HydrophobicContact CE1-CD2 3.99Å; F77-F134 AromaticContact CE2-CD2 3.86Å; F77-F134 HydrophobicContact CE2-CD2 3.86Å; F77-F134 HydrophobicContact CE2-CE2 4.3Å; F77-F134 HydrophobicContact CG-CD2 4.18Å; F77-F134 AromaticContact CZ-CD2 3.85Å; F77-F134 HydrophobicContact CZ-CD2 3.85Å; F77-R137 HydrophobicContact CE2-CB 4.5Å; F77-R137 HydrophobicContact CZ-CB 4.01Å; F77-R137 HydrophobicContact CZ-CG 4.17Å
78D98.1Very high96Very high11 Ų1144 Ų446%0.05922%0.217CC..EExtended strand (participates in β ladder)trans-155.5161.3167.8-154.9-57.7000107.1V55 D80 K101 V102 Y121 D122 V123V55-D78 WeakPolarHBondContact CA-OD2 3.38Å; V55-D78 HydrophobicContact CB-CB 4.28Å; V55-D78 HydrophobicContact CG2-CB 4.2Å; V55-D78 PolarHBondContact N-OD2 3.37Å; D78-D80 WeakPolarHBondContact OD1-CB 3.25Å; D78-D80 PolarHBondContact OD1-N 3.18Å; D78-K101 HydrophobicContact CB-CB 4.31Å; D78-V102 HydrophobicContact CB-CG1 3.52Å; D78-V102 VanDerWaalsContact N-CG1 3.32Å; D78-Y121 PolarHBondContact N-O 2.88Å; D78-D122 CarbonylContact O-C 3.54Å; D78-D122 WeakPolarHBondContact O-CA 3.33Å; D78-V123 PolarHBondContact O-N 3.34Å
79Y96.2Very high95.6Very high101 Ų10141.2 Ų41.240%0.39621%0.207SC..  trans-124.8-3.617664.4-95.3000113N124Y79-N124 HydrophobicContact CD1-CB 3.82Å; Y79-N124 HydrophobicContact CE1-CB 4.47Å; Y79-N124 HydrophobicContact CG-CB 3.91Å
80D95.8Very high95.2Very high55 Ų5544.2 Ų44.229%0.29422%0.221SC..PPolyproline II helixtrans-88.7163.1-178.8-72.2-23.2000112.1D78 K101D78-D80 WeakPolarHBondContact OD1-CB 3.25Å; D78-D80 PolarHBondContact OD1-N 3.18Å; D80-K101 HydrophobicContact CB-CD 3.75Å; D80-K101 VanDerWaalsContact CB-CE 3.4Å; D80-K101 HydrophobicContact CB-CG 4.36Å; D80-K101 WeakPolarHBondContact O-CG 3.43Å; D80-K101 PolarHBondContact O-N 3.43Å; D80-K101 IonicContact OD2-NZ 3.73Å; D80-K101 PolarHBondContact OD2-NZ 2.86Å
81K96.7Very high95.2Very high129 Ų12945.2 Ų45.256%0.56123%0.226SC*.BIsolated β-bridgetrans-98.6158.5169.4-64.8179.5-179.7-178.90110.9E83 L99 K101K81-E83 PolarHBondContact O-N 3.07Å; K81-L99 CarbonylContact C-O 3.43Å; K81-L99 VanDerWaalsContact CA-O 3.27Å; K81-L99 WeakPolarHBondContact CA-O 3.35Å; K81-K101 WeakPolarHBondContact O-CE 3.37Å
82V96.4Very high95.1Very high2 Ų246.1 Ų46.11%0.01223%0.229CC..PPolyproline II helixtrans-71125.1171-179.30000108.6M87 F92 Q96 T97 G98 L99 K101 A104V82-M87 HydrophobicContact CG1-CE 3.98Å; V82-F92 HydrophobicContact CG1-CB 4.02Å; V82-F92 HydrophobicContact CG1-CD1 4.44Å; V82-F92 HydrophobicContact CG1-CG 4.23Å; V82-F92 HydrophobicContact CG2-CD1 3.61Å; V82-F92 HydrophobicContact CG2-CE1 3.78Å; V82-F92 HydrophobicContact CG2-CG 4.07Å; V82-F92 HydrophobicContact CG2-CZ 4.36Å; V82-Q96 WeakPolarHBondContact CB-O 3.26Å; V82-Q96 HydrophobicContact CG1-CB 4.42Å; V82-T97 WeakPolarHBondContact O-CA 3.38Å; V82-G98 PolarHBondContact O-N 3.33Å; V82-L99 PolarHBondContact N-O 3Å; V82-K101 HydrophobicContact CG2-CG 4.06Å; V82-A104 HydrophobicContact CG2-CB 3.93Å
83E94.6Very high95Very high116 Ų11650.6 Ų50.654%0.54225%0.249SC..  trans-115.1154.2176.1-62.5-176.316200111.2K81 A85 N86K81-E83 PolarHBondContact O-N 3.07Å; E83-A85 PolarHBondContact O-N 3.02Å; E83-N86 PolarHBondContact N-OD1 3.47Å; E83-N86 WeakPolarHBondContact O-CB 3.46Å; E83-N86 PolarHBondContact O-N 3.18Å
84M93.2Very high94.9Very high117 Ų11753.5 Ų53.558%0.57627%0.27SS*.G310 helixtrans-60-30.2174.9-166.465.6-166.400111.8N86 M87 P94M84-N86 PolarHBondContact O-N 3.04Å; M84-N86 VanDerWaalsContact O-N 3.15Å; M84-M87 HydrophobicContact CE-CB 4.46Å; M84-M87 HydrophobicContact CE-CG 3.96Å; M84-M87 WeakPolarHBondContact O-CB 3.43Å; M84-M87 VanDerWaalsContact O-CG 3.27Å; M84-M87 WeakPolarHBondContact O-CG 3.24Å; M84-M87 PolarHBondContact O-N 3.15Å; M84-M87 VanDerWaalsContact O-N 3.12Å; M84-M87 HydrophobicContact SD-CG 3.71Å; M84-P94 HydrophobicContact CE-CB 4.48Å; M84-P94 HydrophobicContact SD-CB 4.3Å
85A91.4Very high94.8Very high72 Ų7260 Ų6060%0.59530%0.3SS*.G310 helixtrans-62.8-15.7174.100000113.5E83 N88E83-A85 PolarHBondContact O-N 3.02Å; A85-N88 PolarHBondContact O-OD1 3.49Å
86N91.1Very high94.7Very high21 Ų2160.1 Ų60.111%0.11230%0.3CS..G310 helixtrans-86.9-5.7177.5-50151.5000113E83 M84 N88 R89E83-N86 PolarHBondContact N-OD1 3.47Å; E83-N86 WeakPolarHBondContact O-CB 3.46Å; E83-N86 PolarHBondContact O-N 3.18Å; M84-N86 PolarHBondContact O-N 3.04Å; M84-N86 VanDerWaalsContact O-N 3.15Å; N86-N88 PolarHBondContact O-N 3.42Å; N86-R89 WeakPolarHBondContact O-CB 3.29Å; N86-R89 PolarHBondContact O-N 3.04Å
87M91.6Very high94.5Very high47 Ų4763.2 Ų63.223%0.23232%0.319CS..THydrogen-bonded Turntrans-72-7-175.9-63.8-61.9103.600114.4V82 M84 F92 Q93 P94V82-M87 HydrophobicContact CG1-CE 3.98Å; M84-M87 HydrophobicContact CE-CB 4.46Å; M84-M87 HydrophobicContact CE-CG 3.96Å; M84-M87 WeakPolarHBondContact O-CB 3.43Å; M84-M87 VanDerWaalsContact O-CG 3.27Å; M84-M87 WeakPolarHBondContact O-CG 3.24Å; M84-M87 PolarHBondContact O-N 3.15Å; M84-M87 VanDerWaalsContact O-N 3.12Å; M84-M87 HydrophobicContact SD-CG 3.71Å; M87-F92 HydrophobicContact CE-CB 3.75Å; M87-Q93 VanDerWaalsContact SD-C 3.51Å; M87-P94 HydrophobicContact CG-CG 4.39Å; M87-P94 HydrophobicContact SD-CB 4.32Å; M87-P94 HydrophobicContact SD-CG 3.8Å; M87-P94 VanDerWaalsContact SD-N 3.38Å
88N87.1Confident94.4Very high78 Ų7865.3 Ų65.342%0.41734%0.341SS..THydrogen-bonded Turntrans-76.2-9.1167.568.9-42.2000112.7A85 N86 S242A85-N88 PolarHBondContact O-OD1 3.49Å; N86-N88 PolarHBondContact O-N 3.42Å; N88-S242 PolarHBondContact ND2-O 2.62Å; N88-S242 PolarHBondContact ND2-OG 2.94Å
89R88.8Confident94.3Very high72 Ų7268.4 Ų68.427%0.27236%0.357SS..SBendtrans-103.3170.4178.5-53.4174.1-176.3177.4-2.4110N86 S242 M247N86-R89 WeakPolarHBondContact O-CB 3.29Å; N86-R89 PolarHBondContact O-N 3.04Å; R89-S242 PolarHBondContact NE-OG 3.15Å; R89-M247 HydrophobicContact CB-SD 4.22Å; R89-M247 HydrophobicContact CG-CE 4.22Å; R89-M247 HydrophobicContact CG-SD 3.71Å
90L90.8Very high94.4Very high80 Ų8064 Ų6442%0.41934%0.342SS..SBendtrans-80.1171.4179.7-58.2176.6000111.4V61 F92 P244V61-L90 HydrophobicContact CG2-CB 3.67Å; V61-L90 HydrophobicContact CG2-CD1 4Å; V61-L90 HydrophobicContact CG2-CG 4.41Å; L90-F92 PolarHBondContact O-N 2.96Å; L90-F92 VanDerWaalsContact O-N 3.17Å; L90-P244 HydrophobicContact CD2-CB 4.2Å; L90-P244 HydrophobicContact CG-CB 4.1Å
91F96.9Very high94.5Very high23 Ų2362 Ų6210%0.10133%0.33CS..SBendtrans79.3-64.7171.5-173.8-94.1000117.1S60 E64 A105 T108 L109S60-F91 WeakPolarHBondContact OG-CB 3.38Å; E64-F91 HydrophobicContact CB-CD2 3.96Å; E64-F91 HydrophobicContact CB-CE2 4.07Å; E64-F91 HydrophobicContact CG-CD2 4.49Å; E64-F91 WeakPolarHBondContact OE2-CD2 3.42Å; F91-A105 HydrophobicContact CE1-CB 3.62Å; F91-A105 HydrophobicContact CZ-CB 3.81Å; F91-T108 HydrophobicContact CE2-CG2 3.91Å; F91-T108 HydrophobicContact CZ-CG2 3.99Å; F91-L109 HydrophobicContact CE2-CD2 3.63Å; F91-L109 HydrophobicContact CE2-CG 4.08Å; F91-L109 HydrophobicContact CZ-CD2 4.01Å; F91-L109 HydrophobicContact CZ-CG 3.93Å
92F96.8Very high94.6Very high19 Ų1955.9 Ų55.98%0.08330%0.304CS..  trans-72.5149.5-175.2-64.5-69000112.1V55 V82 M87 L90 K101 A104 A105V55-F92 HydrophobicContact CG1-CZ 4.06Å; V55-F92 VanDerWaalsContact O-CE2 3.25Å; V55-F92 WeakPolarHBondContact O-CE2 3.21Å; V55-F92 WeakPolarHBondContact O-CZ 3.02Å; V82-F92 HydrophobicContact CG1-CB 4.02Å; V82-F92 HydrophobicContact CG1-CD1 4.44Å; V82-F92 HydrophobicContact CG1-CG 4.23Å; V82-F92 HydrophobicContact CG2-CD1 3.61Å; V82-F92 HydrophobicContact CG2-CE1 3.78Å; V82-F92 HydrophobicContact CG2-CG 4.07Å; V82-F92 HydrophobicContact CG2-CZ 4.36Å; M87-F92 HydrophobicContact CE-CB 3.75Å; L90-F92 PolarHBondContact O-N 2.96Å; L90-F92 VanDerWaalsContact O-N 3.17Å; F92-K101 HydrophobicContact CE1-CB 4.46Å; F92-K101 HydrophobicContact CE2-CG 4.32Å; F92-K101 HydrophobicContact CZ-CB 3.88Å; F92-K101 HydrophobicContact CZ-CG 4Å; F92-A104 HydrophobicContact CD1-CB 4.1Å; F92-A104 HydrophobicContact CE1-CB 3.92Å; F92-A105 HydrophobicContact CE1-CB 4.31Å
93Q96.4Very high94.7Very high100 Ų10059.7 Ų59.747%0.46732%0.321SS..  trans-115.2153.3-178.1-61.3-171.7-5.500111.6M87 H95 Q96M87-Q93 VanDerWaalsContact SD-C 3.51Å; Q93-H95 PolarHBondContact O-N 3.42Å; Q93-H95 VanDerWaalsContact O-N 3.09Å; Q93-H95 PolarHBondContact OE1-CE1 2.69Å; Q93-Q96 HydrophobicContact CB-CG 4.46Å; Q93-Q96 WeakPolarHBondContact O-CB 3.21Å; Q93-Q96 PolarHBondContact O-N 3.28Å
94P96.1Very high94.8Very high79 Ų7954.1 Ų54.151%0.51330%0.295SS..G310 helixtrans-55.7-35-174.4-29.535.5000114.4M84 M87 Q96 T97M84-P94 HydrophobicContact CE-CB 4.48Å; M84-P94 HydrophobicContact SD-CB 4.3Å; M87-P94 HydrophobicContact CG-CG 4.39Å; M87-P94 HydrophobicContact SD-CB 4.32Å; M87-P94 HydrophobicContact SD-CG 3.8Å; M87-P94 VanDerWaalsContact SD-N 3.38Å; P94-Q96 PolarHBondContact O-N 3.06Å; P94-T97 WeakPolarHBondContact O-CB 3.23Å; P94-T97 PolarHBondContact O-N 3.42Å; P94-T97 PolarHBondContact O-OG1 2.87Å
95H96.2Very high95.1Very high136 Ų13648.6 Ų48.663%0.6327%0.268SS*.G310 helixtrans-70.8-11.2-179.973.3-101.7000114Q93 T97Q93-H95 PolarHBondContact O-N 3.42Å; Q93-H95 VanDerWaalsContact O-N 3.09Å; Q93-H95 PolarHBondContact OE1-CE1 2.69Å; H95-T97 VanDerWaalsContact C-N 3.34Å
96Q96.5Very high95.4Very high2 Ų249.6 Ų49.61%0.00926%0.256CS..G310 helixtrans-89.6-2.8177.4-59.6178.4-57.700112.5V82 Q93 P94 G98 L99 A104 T108V82-Q96 WeakPolarHBondContact CB-O 3.26Å; V82-Q96 HydrophobicContact CG1-CB 4.42Å; Q93-Q96 HydrophobicContact CB-CG 4.46Å; Q93-Q96 WeakPolarHBondContact O-CB 3.21Å; Q93-Q96 PolarHBondContact O-N 3.28Å; P94-Q96 PolarHBondContact O-N 3.06Å; Q96-G98 PolarHBondContact O-N 3.15Å; Q96-L99 HydrophobicContact CB-CD1 4.22Å; Q96-L99 VanDerWaalsContact O-CB 3.3Å; Q96-L99 WeakPolarHBondContact O-CB 3.36Å; Q96-L99 WeakPolarHBondContact O-CG 3.49Å; Q96-L99 PolarHBondContact O-N 3.35Å; Q96-L99 VanDerWaalsContact O-N 3.12Å; Q96-A104 HydrophobicContact CB-CB 4.19Å; Q96-A104 PolarHBondContact NE2-O 2.75Å; Q96-T108 PolarHBondContact NE2-OG1 2.8Å
97T95.8Very high95.7Very high66 Ų6653 Ų5341%0.40527%0.271SS..THydrogen-bonded Turntrans-53.5132.1178.8-59.60000111.1V82 P94 H95V82-T97 WeakPolarHBondContact O-CA 3.38Å; P94-T97 WeakPolarHBondContact O-CB 3.23Å; P94-T97 PolarHBondContact O-N 3.42Å; P94-T97 PolarHBondContact O-OG1 2.87Å; H95-T97 VanDerWaalsContact C-N 3.34Å
98G96.2Very high96Very high46 Ų4652 Ų5247%0.47427%0.268SS..THydrogen-bonded Turntrans90.4-14.7-178.700000115.1V82 Q96V82-G98 PolarHBondContact O-N 3.33Å; Q96-G98 PolarHBondContact O-N 3.15Å
99L96.6Very high96.5Very high75 Ų7548.3 Ų48.339%0.39325%0.248SC..SBendtrans-74.6151.4170.8-59.5178.6000110.6K81 V82 Q96 K101 A104K81-L99 CarbonylContact C-O 3.43Å; K81-L99 VanDerWaalsContact CA-O 3.27Å; K81-L99 WeakPolarHBondContact CA-O 3.35Å; V82-L99 PolarHBondContact N-O 3Å; Q96-L99 HydrophobicContact CB-CD1 4.22Å; Q96-L99 VanDerWaalsContact O-CB 3.3Å; Q96-L99 WeakPolarHBondContact O-CB 3.36Å; Q96-L99 WeakPolarHBondContact O-CG 3.49Å; Q96-L99 PolarHBondContact O-N 3.35Å; Q96-L99 VanDerWaalsContact O-N 3.12Å; L99-K101 PolarHBondContact O-N 3.46Å; L99-A104 HydrophobicContact CB-CB 4.15Å; L99-A104 HydrophobicContact CD1-CB 4.31Å
100S97.7Very high96.9Very high10 Ų1049.3 Ų49.37%0.0726%0.256CS..BIsolated β-bridgetrans-57.7136.1165.6164.40000109.8V102 H103 A104 D122S100-V102 VanDerWaalsContact C-N 3.26Å; S100-V102 PolarHBondContact O-N 2.96Å; S100-V102 VanDerWaalsContact OG-CG2 3.3Å; S100-V102 WeakPolarHBondContact OG-CG2 3.07Å; S100-V102 PolarHBondContact OG-N 3.45Å; S100-H103 PolarHBondContact O-N 3.46Å; S100-H103 VanDerWaalsContact O-N 3.09Å; S100-A104 PolarHBondContact O-N 3.24Å; S100-D122 WeakPolarHBondContact CB-OD1 3.49Å; S100-D122 WeakPolarHBondContact CB-OD2 3.34Å; S100-D122 PolarHBondContact OG-OD1 3.04Å; S100-D122 PolarHBondContact OG-OD2 3.24Å
101K98.1Very high97.2Very high13 Ų1350.9 Ų50.96%0.05726%0.261CS..Hα-helixtrans-54.8-43.1179.9-75.1-178.3-171.4161.70111.6D78 D80 K81 V82 F92 L99 H103 A105D78-K101 HydrophobicContact CB-CB 4.31Å; D80-K101 HydrophobicContact CB-CD 3.75Å; D80-K101 VanDerWaalsContact CB-CE 3.4Å; D80-K101 HydrophobicContact CB-CG 4.36Å; D80-K101 WeakPolarHBondContact O-CG 3.43Å; D80-K101 PolarHBondContact O-N 3.43Å; D80-K101 IonicContact OD2-NZ 3.73Å; D80-K101 PolarHBondContact OD2-NZ 2.86Å; K81-K101 WeakPolarHBondContact O-CE 3.37Å; V82-K101 HydrophobicContact CG2-CG 4.06Å; F92-K101 HydrophobicContact CE1-CB 4.46Å; F92-K101 HydrophobicContact CE2-CG 4.32Å; F92-K101 HydrophobicContact CZ-CB 3.88Å; F92-K101 HydrophobicContact CZ-CG 4Å; L99-K101 PolarHBondContact O-N 3.46Å; K101-H103 PolarHBondContact O-N 3.4Å; K101-A105 WeakPolarHBondContact O-CB 3.38Å; K101-A105 PolarHBondContact O-N 3.01Å
102V98.4Very high97.1Very high0 Ų051.5 Ų51.50%027%0.265CS..Hα-helixtrans-67.6-35.5179.8-62.60000112.5V55 L76 D78 S100 R106 V120 D122V55-V102 HydrophobicContact CG2-CG1 4.05Å; L76-V102 HydrophobicContact CB-CB 4.46Å; L76-V102 HydrophobicContact CB-CG1 4.08Å; D78-V102 HydrophobicContact CB-CG1 3.52Å; D78-V102 VanDerWaalsContact N-CG1 3.32Å; S100-V102 VanDerWaalsContact C-N 3.26Å; S100-V102 PolarHBondContact O-N 2.96Å; S100-V102 VanDerWaalsContact OG-CG2 3.3Å; S100-V102 WeakPolarHBondContact OG-CG2 3.07Å; S100-V102 PolarHBondContact OG-N 3.45Å; V102-R106 WeakPolarHBondContact O-CB 3.18Å; V102-R106 PolarHBondContact O-N 2.98Å; V102-V120 HydrophobicContact CB-CB 3.87Å; V102-V120 HydrophobicContact CB-CG1 4.05Å; V102-V120 HydrophobicContact CG2-CB 3.95Å; V102-D122 HydrophobicContact CG2-CB 3.92Å
103H98.2Very high97.2Very high81 Ų8150.6 Ų50.638%0.37526%0.261SS..Hα-helixtrans-73.6-43.1178.8-73.3-9000112.4S100 K101 A105 R106 Q107 V120S100-H103 PolarHBondContact O-N 3.46Å; S100-H103 VanDerWaalsContact O-N 3.09Å; K101-H103 PolarHBondContact O-N 3.4Å; H103-A105 VanDerWaalsContact C-N 3.31Å; H103-A105 PolarHBondContact O-N 3.09Å; H103-R106 PolarHBondContact O-N 3.4Å; H103-Q107 PolarHBondContact O-N 3.28Å; H103-Q107 VanDerWaalsContact O-N 3.12Å; H103-V120 WeakPolarHBondContact ND1-CG2 3.37Å
104A97.9Very high97.2Very high0 Ų047.1 Ų47.10%025%0.247CC..Hα-helixtrans-59.2-44.8172.100000110.8V82 F92 Q96 L99 S100 Q107 T108V82-A104 HydrophobicContact CG2-CB 3.93Å; F92-A104 HydrophobicContact CD1-CB 4.1Å; F92-A104 HydrophobicContact CE1-CB 3.92Å; Q96-A104 HydrophobicContact CB-CB 4.19Å; Q96-A104 PolarHBondContact NE2-O 2.75Å; L99-A104 HydrophobicContact CB-CB 4.15Å; L99-A104 HydrophobicContact CD1-CB 4.31Å; S100-A104 PolarHBondContact O-N 3.24Å; A104-Q107 PolarHBondContact O-N 3.07Å; A104-T108 PolarHBondContact O-N 3.32Å; A104-T108 VanDerWaalsContact O-N 3.17Å; A104-T108 PolarHBondContact O-OG1 3.2Å
105A98.2Very high97.2Very high0 Ų044.2 Ų44.20%023%0.227CC..Hα-helixtrans-63.4-46.4177.400000112.6V55 L76 F91 F92 K101 H103 Q107 T108 L109V55-A105 HydrophobicContact CG1-CB 3.79Å; L76-A105 HydrophobicContact CD1-CB 4.17Å; F91-A105 HydrophobicContact CE1-CB 3.62Å; F91-A105 HydrophobicContact CZ-CB 3.81Å; F92-A105 HydrophobicContact CE1-CB 4.31Å; K101-A105 WeakPolarHBondContact O-CB 3.38Å; K101-A105 PolarHBondContact O-N 3.01Å; H103-A105 VanDerWaalsContact C-N 3.31Å; H103-A105 PolarHBondContact O-N 3.09Å; A105-Q107 VanDerWaalsContact C-N 3.29Å; A105-Q107 PolarHBondContact O-N 3.06Å; A105-T108 PolarHBondContact O-N 3.38Å; A105-L109 HydrophobicContact CB-CD1 4.43Å; A105-L109 WeakPolarHBondContact O-CB 3.4Å; A105-L109 WeakPolarHBondContact O-CG 2.93Å; A105-L109 PolarHBondContact O-N 3.16Å
106R98.3Very high97.3Very high94 Ų9438 Ų3836%0.35520%0.199SC..Hα-helixtrans-54.3-46.3176.3179178.668.6172.7-0.1111.9V102 H103 L109 Q110 I118 V120V102-R106 WeakPolarHBondContact O-CB 3.18Å; V102-R106 PolarHBondContact O-N 2.98Å; H103-R106 PolarHBondContact O-N 3.4Å; R106-L109 PolarHBondContact O-N 2.75Å; R106-Q110 HydrophobicContact CG-CG 4.24Å; R106-Q110 VanDerWaalsContact O-CB 3.31Å; R106-Q110 WeakPolarHBondContact O-CB 3.47Å; R106-Q110 WeakPolarHBondContact O-CG 3.41Å; R106-Q110 PolarHBondContact O-N 2.98Å; R106-I118 HydrophobicContact CB-CG2 3.95Å; R106-I118 HydrophobicContact CG-CB 4.22Å; R106-I118 HydrophobicContact CG-CG2 3.73Å; R106-V120 HydrophobicContact CB-CG1 3.84Å; R106-V120 HydrophobicContact CG-CG1 4.38Å
107Q97.2Very high97.4Very high92 Ų9243.1 Ų43.143%0.4322%0.223SC..Hα-helixtrans-60-51.8179.8-177-178.4-12.900111.2H103 A104 A105 L109 Q110 E111H103-Q107 PolarHBondContact O-N 3.28Å; H103-Q107 VanDerWaalsContact O-N 3.12Å; A104-Q107 PolarHBondContact O-N 3.07Å; A105-Q107 VanDerWaalsContact C-N 3.29Å; A105-Q107 PolarHBondContact O-N 3.06Å; Q107-L109 PolarHBondContact O-N 2.6Å; Q107-Q110 PolarHBondContact O-N 2.85Å; Q107-E111 WeakPolarHBondContact O-CG 3.25Å; Q107-E111 PolarHBondContact O-N 2.88Å
108T97.6Very high97.5Very high27 Ų2740.9 Ų40.917%0.16621%0.209CC..Hα-helixtrans-61.9-45.1-179.9-59.60000112F91 Q96 A104 A105 E111 I112F91-T108 HydrophobicContact CE2-CG2 3.91Å; F91-T108 HydrophobicContact CZ-CG2 3.99Å; Q96-T108 PolarHBondContact NE2-OG1 2.8Å; A104-T108 PolarHBondContact O-N 3.32Å; A104-T108 VanDerWaalsContact O-N 3.17Å; A104-T108 PolarHBondContact O-OG1 3.2Å; A105-T108 PolarHBondContact O-N 3.38Å; T108-E111 PolarHBondContact O-N 3.38Å; T108-I112 HydrophobicContact CG2-CD1 3.97Å; T108-I112 WeakPolarHBondContact O-CG1 3.28Å; T108-I112 PolarHBondContact O-N 3.35Å
109L98.1Very high97.6Very high0 Ų040.6 Ų40.60%020%0.195CC..Hα-helixtrans-68.5-37.4-177.3-65.1173.7000112.4A63 E64 T67 L76 F91 A105 R106 Q107 E111 I112 N113 I118A63-L109 HydrophobicContact CB-CD1 3.82Å; E64-L109 VanDerWaalsContact CA-CD2 3.49Å; E64-L109 HydrophobicContact CB-CD2 4.08Å; T67-L109 HydrophobicContact CG2-CB 4.13Å; T67-L109 HydrophobicContact CG2-CD2 4.17Å; T67-L109 WeakPolarHBondContact CG2-O 3.18Å; L76-L109 HydrophobicContact CD1-CD1 4.02Å; F91-L109 HydrophobicContact CE2-CD2 3.63Å; F91-L109 HydrophobicContact CE2-CG 4.08Å; F91-L109 HydrophobicContact CZ-CD2 4.01Å; F91-L109 HydrophobicContact CZ-CG 3.93Å; A105-L109 HydrophobicContact CB-CD1 4.43Å; A105-L109 WeakPolarHBondContact O-CB 3.4Å; A105-L109 WeakPolarHBondContact O-CG 2.93Å; A105-L109 PolarHBondContact O-N 3.16Å; R106-L109 PolarHBondContact O-N 2.75Å; Q107-L109 PolarHBondContact O-N 2.6Å; L109-E111 VanDerWaalsContact C-N 3.29Å; L109-E111 PolarHBondContact O-N 2.89Å; L109-I112 HydrophobicContact CD2-CD1 4.43Å; L109-I112 PolarHBondContact O-N 2.84Å; L109-N113 PolarHBondContact O-N 3.28Å; L109-I118 HydrophobicContact CB-CD1 3.42Å; L109-I118 VanDerWaalsContact CB-CD1 3.42Å; L109-I118 HydrophobicContact CD1-CD1 4.46Å
110Q97Very high97.7Very high92 Ų9238 Ų3843%0.4318%0.182SC..Hα-helixtrans-64.5-33.6174-75178-25.600112.3R106 Q107 I118R106-Q110 HydrophobicContact CG-CG 4.24Å; R106-Q110 VanDerWaalsContact O-CB 3.31Å; R106-Q110 WeakPolarHBondContact O-CB 3.47Å; R106-Q110 WeakPolarHBondContact O-CG 3.41Å; R106-Q110 PolarHBondContact O-N 2.98Å; Q107-Q110 PolarHBondContact O-N 2.85Å; Q110-I118 HydrophobicContact CG-CD1 3.72Å
111E96.2Very high97.8Very high114 Ų11440.2 Ų40.253%0.53319%0.189SC..Hα-helixtrans-70.6-35.3173-71-179.1-167.600112.1Q107 T108 L109Q107-E111 WeakPolarHBondContact O-CG 3.25Å; Q107-E111 PolarHBondContact O-N 2.88Å; T108-E111 PolarHBondContact O-N 3.38Å; L109-E111 VanDerWaalsContact C-N 3.29Å; L109-E111 PolarHBondContact O-N 2.89Å
112I96.9Very high97.8Very high35 Ų3543 Ų4318%0.17921%0.205CC..Hα-helixtrans-69.5-47.2177.6-70.6169.2000111.7R11 E64 T67 R68 T108 L109R11-I112 PolarHBondContact NH1-O 3.22Å; E64-I112 HydrophobicContact CG-CD1 4.01Å; T67-I112 HydrophobicContact CG2-CB 4.36Å; T67-I112 HydrophobicContact CG2-CG2 4.1Å; R68-I112 HydrophobicContact CG-CG2 3.71Å; T108-I112 HydrophobicContact CG2-CD1 3.97Å; T108-I112 WeakPolarHBondContact O-CG1 3.28Å; T108-I112 PolarHBondContact O-N 3.35Å; L109-I112 HydrophobicContact CD2-CD1 4.43Å; L109-I112 PolarHBondContact O-N 2.84Å
113N97Very high97.7Very high0 Ų044.5 Ų44.50%021%0.214CC..  trans-146.7101.4180-167.9-7.9000111.8R11 Y27 T67 L109 D115 V116R11-N113 VanDerWaalsContact CZ-CG 3.41Å; R11-N113 PolarHBondContact NH1-ND2 2.92Å; R11-N113 PolarHBondContact NH1-OD1 3.05Å; R11-N113 PolarHBondContact NH2-OD1 3.39Å; Y27-N113 PolarHBondContact OH-ND2 3.4Å; Y27-N113 PolarHBondContact OH-OD1 3.3Å; T67-N113 HydrophobicContact CG2-CB 3.6Å; T67-N113 WeakPolarHBondContact O-CB 3.31Å; T67-N113 PolarHBondContact O-ND2 3.41Å; L109-N113 PolarHBondContact O-N 3.28Å; N113-D115 PolarHBondContact O-N 3.29Å; N113-D115 WeakPolarHBondContact OD1-CB 3.44Å; N113-D115 PolarHBondContact OD1-N 2.83Å; N113-D115 PolarHBondContact OD1-OD2 2.89Å; N113-V116 HydrophobicContact CB-CG2 3.95Å; N113-V116 PolarHBondContact O-N 3.24Å
114P96.8Very high97.7Very high27 Ų2742.9 Ų42.918%0.17521%0.208CC..THydrogen-bonded Turntrans-72.2-8.7179.733.4-39.3000113.4R11 K13 V116R11-P114 HydrophobicContact CB-CG 4.45Å; R11-P114 HydrophobicContact CG-CG 4.24Å; R11-P114 WeakPolarHBondContact O-CG 3.26Å; K13-P114 WeakPolarHBondContact CE-O 3.42Å; K13-P114 HydrophobicContact CG-CB 3.91Å; K13-P114 HydrophobicContact CG-CG 4.12Å; P114-V116 VanDerWaalsContact C-N 3.28Å
115D97.1Very high97.6Very high18 Ų1843.2 Ų43.210%0.09621%0.21CC..THydrogen-bonded Turntrans-73.8-22.1178-60.6-36.7000112.6R11 K13 I14 Y27 N113R11-D115 IonicContact CZ-OD2 2.8Å; R11-D115 IonicContact NH2-OD2 2.72Å; R11-D115 PolarHBondContact NH2-OD2 3.08Å; K13-D115 WeakPolarHBondContact CA-OD1 3.45Å; I14-D115 PolarHBondContact N-OD1 3.05Å; Y27-D115 VanDerWaalsContact CE2-OD2 3.32Å; Y27-D115 WeakPolarHBondContact CE2-OD2 3.37Å; Y27-D115 WeakPolarHBondContact OH-CB 3.36Å; Y27-D115 PolarHBondContact OH-OD2 3.26Å; N113-D115 PolarHBondContact O-N 3.29Å; N113-D115 WeakPolarHBondContact OD1-CB 3.44Å; N113-D115 PolarHBondContact OD1-N 2.83Å; N113-D115 PolarHBondContact OD1-OD2 2.89Å
116V98.2Very high97.4Very high7 Ų746 Ų464%0.04222%0.224CC..SBendtrans-85.4126.9-176-176.20000109.8T67 I71 L74 N113 P114 I118T67-V116 HydrophobicContact CG2-CG2 4.08Å; I71-V116 HydrophobicContact CG2-CG1 3.7Å; I71-V116 HydrophobicContact CG2-CG2 4.39Å; I71-V116 WeakPolarHBondContact O-CG1 3.42Å; I71-V116 WeakPolarHBondContact O-CG2 3.38Å; L74-V116 HydrophobicContact CD1-CG1 4.49Å; L74-V116 HydrophobicContact CG-CG1 4.27Å; N113-V116 HydrophobicContact CB-CG2 3.95Å; N113-V116 PolarHBondContact O-N 3.24Å; P114-V116 VanDerWaalsContact C-N 3.28Å; V116-I118 HydrophobicContact CG1-CG1 4.03Å
117Q98.2Very high97.3Very high108 Ų10844.5 Ų44.551%0.50523%0.225SC..EExtended strand (participates in β ladder)trans-76.3126.6170.6-62-172.519.600109.5G72 K73 L74 L143G72-Q117 PolarHBondContact O-N 3.3Å; K73-Q117 CarbonylContact C-O 3.57Å; K73-Q117 VanDerWaalsContact CA-O 3.26Å; K73-Q117 WeakPolarHBondContact CA-O 3.4Å; K73-Q117 HydrophobicContact CB-CB 4.02Å; K73-Q117 HydrophobicContact CD-CB 4.39Å; K73-Q117 HydrophobicContact CG-CB 3.89Å; L74-Q117 PolarHBondContact N-O 3.01Å; Q117-L143 HydrophobicContact CG-CD2 4.35Å
118I98.5Very high97.1Very high20 Ų2045.5 Ų45.510%0.10324%0.238CC..EExtended strand (participates in β ladder)trans-122.6116-178.4-61.6160.4000109.6L74 L76 R106 L109 Q110 V116 V120L74-I118 WeakPolarHBondContact O-CA 3.21Å; L76-I118 HydrophobicContact CD1-CG2 4.19Å; R106-I118 HydrophobicContact CB-CG2 3.95Å; R106-I118 HydrophobicContact CG-CB 4.22Å; R106-I118 HydrophobicContact CG-CG2 3.73Å; L109-I118 HydrophobicContact CB-CD1 3.42Å; L109-I118 VanDerWaalsContact CB-CD1 3.42Å; L109-I118 HydrophobicContact CD1-CD1 4.46Å; Q110-I118 HydrophobicContact CG-CD1 3.72Å; V116-I118 HydrophobicContact CG1-CG1 4.03Å; I118-V120 HydrophobicContact CG2-CG1 3.95Å
119E98.5Very high97Very high39 Ų3951.8 Ų51.818%0.18227%0.265CS..EExtended strand (participates in β ladder)trans-110.9142.4175.1-169.3179.412800108.9K73 L74 I75 L76 Y121 R137K73-E119 WeakPolarHBondContact CE-OE2 3.35Å; K73-E119 IonicContact NZ-OE2 3.06Å; K73-E119 PolarHBondContact NZ-OE2 3.36Å; L74-E119 PolarHBondContact O-N 3.39Å; I75-E119 CarbonylContact C-O 3.59Å; I75-E119 WeakPolarHBondContact CA-O 3.16Å; I75-E119 HydrophobicContact CG1-CB 4.24Å; I75-E119 HydrophobicContact CG2-CB 4.33Å; I75-E119 HydrophobicContact CG2-CG 4.44Å; L76-E119 PolarHBondContact N-O 3.25Å; E119-Y121 HydrophobicContact CG-CE2 3.89Å; E119-Y121 WeakPolarHBondContact OE1-CE2 3.45Å; E119-Y121 PolarHBondContact OE1-OH 3Å; E119-R137 IonicContact OE1-CZ 2.73Å; E119-R137 IonicContact OE1-NE 2.81Å; E119-R137 PolarHBondContact OE1-NE 3.08Å; E119-R137 IonicContact OE1-NH2 3.83Å; E119-R137 PolarHBondContact OE1-NH2 2.72Å; E119-R137 IonicContact OE2-CZ 3.64Å; E119-R137 IonicContact OE2-NH2 3.8Å; E119-R137 PolarHBondContact OE2-NH2 3.49Å
120V98.6Very high96.9Very high22 Ų2253.7 Ų53.713%0.13328%0.276CS..EExtended strand (participates in β ladder)trans-140.8142.2-170.8-650000112.2L76 V102 H103 R106 I118L76-V120 HydrophobicContact CB-CG1 4.1Å; L76-V120 HydrophobicContact CD1-CG1 4.14Å; L76-V120 HydrophobicContact CG-CG1 4.31Å; L76-V120 CarbonylContact O-C 3.36Å; L76-V120 WeakPolarHBondContact O-CA 3.32Å; V102-V120 HydrophobicContact CB-CB 3.87Å; V102-V120 HydrophobicContact CB-CG1 4.05Å; V102-V120 HydrophobicContact CG2-CB 3.95Å; H103-V120 WeakPolarHBondContact ND1-CG2 3.37Å; R106-V120 HydrophobicContact CB-CG1 3.84Å; R106-V120 HydrophobicContact CG-CG1 4.38Å; I118-V120 HydrophobicContact CG2-CG1 3.95Å
121Y98.6Very high96.9Very high55 Ų5551.3 Ų51.322%0.21626%0.264CS..EExtended strand (participates in β ladder)trans-131114.3176.3-67.7-88.2000109.7I75 L76 F77 D78 E119 V123 T133 R137I75-Y121 HydrophobicContact CG2-CD2 3.99Å; I75-Y121 HydrophobicContact CG2-CE2 3.88Å; L76-Y121 PolarHBondContact O-N 3.33Å; F77-Y121 HydrophobicContact CD1-CD2 4.23Å; F77-Y121 HydrophobicContact CD1-CG 4.06Å; F77-Y121 HydrophobicContact CE1-CD1 4.29Å; F77-Y121 AromaticContact CE1-CD2 3.58Å; F77-Y121 HydrophobicContact CE1-CD2 3.58Å; F77-Y121 HydrophobicContact CE1-CE2 4.41Å; F77-Y121 AromaticContact CE1-CG 3.52Å; F77-Y121 HydrophobicContact CE1-CG 3.52Å; F77-Y121 AromaticContact CE2-CD2 3.97Å; F77-Y121 HydrophobicContact CE2-CD2 3.97Å; F77-Y121 AromaticContact CZ-CD2 3.42Å; F77-Y121 HydrophobicContact CZ-CD2 3.42Å; F77-Y121 VanDerWaalsContact CZ-CD2 3.42Å; F77-Y121 AromaticContact CZ-CE2 3.95Å; F77-Y121 HydrophobicContact CZ-CE2 3.95Å; F77-Y121 AromaticContact CZ-CG 3.89Å; F77-Y121 HydrophobicContact CZ-CG 3.89Å; D78-Y121 PolarHBondContact N-O 2.88Å; E119-Y121 HydrophobicContact CG-CE2 3.89Å; E119-Y121 WeakPolarHBondContact OE1-CE2 3.45Å; E119-Y121 PolarHBondContact OE1-OH 3Å; Y121-V123 VanDerWaalsContact C-N 3.31Å; Y121-V123 PolarHBondContact O-N 2.72Å; Y121-T133 HydrophobicContact CD1-CG2 3.99Å; Y121-T133 HydrophobicContact CE1-CG2 3.74Å; Y121-R137 HydrophobicContact CE1-CG 4.42Å; Y121-R137 HydrophobicContact CE2-CG 3.73Å; Y121-R137 WeakPolarHBondContact OH-CD 3.4Å; Y121-R137 WeakPolarHBondContact OH-CG 3.44Å; Y121-R137 PolarHBondContact OH-NE 3.01Å; Y121-R137 VanDerWaalsContact OH-NE 3.1Å
122D98Very high97Very high72 Ų7252.5 Ų52.539%0.38527%0.267SS..EExtended strand (participates in β ladder)trans-8867.6176-169.334.3000109.6D78 S100 V102D78-D122 CarbonylContact O-C 3.54Å; D78-D122 WeakPolarHBondContact O-CA 3.33Å; S100-D122 WeakPolarHBondContact CB-OD1 3.49Å; S100-D122 WeakPolarHBondContact CB-OD2 3.34Å; S100-D122 PolarHBondContact OG-OD1 3.04Å; S100-D122 PolarHBondContact OG-OD2 3.24Å; V102-D122 HydrophobicContact CG2-CB 3.92Å
123V97.5Very high97Very high32 Ų3253.3 Ų53.319%0.19427%0.274CS..SBendtrans-146.8148.5-168.9-58.20000112.8F77 D78 Y121 I125 N130F77-V123 HydrophobicContact CD1-CG2 4.05Å; F77-V123 HydrophobicContact CE1-CG2 4.38Å; D78-V123 PolarHBondContact O-N 3.34Å; Y121-V123 VanDerWaalsContact C-N 3.31Å; Y121-V123 PolarHBondContact O-N 2.72Å; V123-I125 PolarHBondContact O-N 3.44Å; V123-N130 HydrophobicContact CB-CB 4.12Å; V123-N130 HydrophobicContact CG2-CB 4.06Å
124N97Very high97.1Very high47 Ų4753.3 Ų53.325%0.25127%0.274SS..  trans-86.8109.5173.1-176.3-15.5000110.5Y79 I126 T127 N130Y79-N124 HydrophobicContact CD1-CB 3.82Å; Y79-N124 HydrophobicContact CE1-CB 4.47Å; Y79-N124 HydrophobicContact CG-CB 3.91Å; N124-I126 PolarHBondContact O-N 3.28Å; N124-I126 VanDerWaalsContact O-N 3.11Å; N124-I126 WeakPolarHBondContact OD1-CB 3.34Å; N124-I126 PolarHBondContact OD1-N 3.29Å; N124-T127 HydrophobicContact CB-CG2 4.41Å; N124-T127 PolarHBondContact O-N 3.46Å; N124-T127 PolarHBondContact O-OG1 3.38Å; N124-N130 VanDerWaalsContact O-CB 3.27Å; N124-N130 WeakPolarHBondContact O-CB 3.49Å; N124-N130 PolarHBondContact O-ND2 3.01Å
125I96.7Very high97.1Very high7 Ų753.7 Ų53.74%0.03627%0.273CS..THydrogen-bonded Turntrans-62.8-15.9-176.464.8159.1000114.6V53 F77 V123 T127 F131 F134 A163 V164V53-I125 HydrophobicContact CG1-CD1 3.61Å; V53-I125 HydrophobicContact CG1-CG1 4.39Å; F77-I125 HydrophobicContact CB-CG2 4.18Å; F77-I125 HydrophobicContact CD1-CG2 3.75Å; F77-I125 HydrophobicContact CG-CG2 4.2Å; V123-I125 PolarHBondContact O-N 3.44Å; I125-T127 VanDerWaalsContact C-N 3.32Å; I125-F131 WeakPolarHBondContact O-CA 3.44Å; I125-F131 WeakPolarHBondContact O-CB 3.45Å; I125-F131 WeakPolarHBondContact O-CD2 3.08Å; I125-F134 HydrophobicContact CB-CB 4.4Å; I125-F134 HydrophobicContact CB-CG 4.31Å; I125-F134 HydrophobicContact CD1-CD1 4.5Å; I125-F134 HydrophobicContact CD1-CE1 4.29Å; I125-F134 HydrophobicContact CD1-CZ 4.4Å; I125-F134 HydrophobicContact CG2-CB 4.13Å; I125-F134 HydrophobicContact CG2-CD2 4.01Å; I125-F134 HydrophobicContact CG2-CG 4.04Å; I125-A163 HydrophobicContact CD1-CB 4.19Å; I125-V164 HydrophobicContact CD1-CG2 3.73Å
126I94.5Very high97.2Very high59 Ų5956.4 Ų56.430%0.30329%0.288SS..THydrogen-bonded Turntrans-75.4-25.2-179.1-59.9160.8000111.2N124 E159 A160 A163N124-I126 PolarHBondContact O-N 3.28Å; N124-I126 VanDerWaalsContact O-N 3.11Å; N124-I126 WeakPolarHBondContact OD1-CB 3.34Å; N124-I126 PolarHBondContact OD1-N 3.29Å; I126-E159 HydrophobicContact CD1-CB 3.64Å; I126-E159 HydrophobicContact CG1-CB 4.43Å; I126-A160 HydrophobicContact CD1-CB 4.06Å; I126-A160 HydrophobicContact CG1-CB 4.34Å; I126-A163 HydrophobicContact CG1-CB 4.37Å
127T95.3Very high97.2Very high61 Ų6157.9 Ų57.937%0.37429%0.293SS..SBendtrans-70.2142179.161.70000111N124 I125 E129 N130 F131N124-T127 HydrophobicContact CB-CG2 4.41Å; N124-T127 PolarHBondContact O-N 3.46Å; N124-T127 PolarHBondContact O-OG1 3.38Å; I125-T127 VanDerWaalsContact C-N 3.32Å; T127-E129 VanDerWaalsContact C-N 3.27Å; T127-E129 PolarHBondContact O-N 3.31Å; T127-N130 PolarHBondContact O-N 3Å; T127-N130 VanDerWaalsContact O-N 3.17Å; T127-N130 VanDerWaalsContact OG1-CB 3.29Å; T127-N130 WeakPolarHBondContact OG1-CB 3.44Å; T127-N130 PolarHBondContact OG1-ND2 3.16Å; T127-F131 WeakPolarHBondContact O-CB 3.43Å; T127-F131 PolarHBondContact O-N 3.09Å
128V93.3Very high97.2Very high114 Ų11452.7 Ų52.769%0.69127%0.269SS*.Hα-helixtrans-54.9-40.8-172.8177.60000113K132V128-K132 PolarHBondContact O-N 3.21Å
129E94.9Very high97.2Very high158 Ų15857.2 Ų57.274%0.73829%0.287SS*.Hα-helixtrans-69-48.4179.9-65.6178.5-177.600111.6T127 F131 K132 T133T127-E129 VanDerWaalsContact C-N 3.27Å; T127-E129 PolarHBondContact O-N 3.31Å; E129-F131 VanDerWaalsContact C-N 3.33Å; E129-F131 PolarHBondContact O-N 2.8Å; E129-K132 WeakPolarHBondContact O-CB 3.4Å; E129-K132 PolarHBondContact O-N 2.81Å; E129-T133 PolarHBondContact O-N 2.86Å
130N97Very high97.2Very high41 Ų4158.2 Ų58.222%0.21929%0.294CS..Hα-helixtrans-73.6-25.8-178.9-64.4-43.8000112.7V123 N124 T127 K132 T133 F134V123-N130 HydrophobicContact CB-CB 4.12Å; V123-N130 HydrophobicContact CG2-CB 4.06Å; N124-N130 VanDerWaalsContact O-CB 3.27Å; N124-N130 WeakPolarHBondContact O-CB 3.49Å; N124-N130 PolarHBondContact O-ND2 3.01Å; T127-N130 PolarHBondContact O-N 3Å; T127-N130 VanDerWaalsContact O-N 3.17Å; T127-N130 VanDerWaalsContact OG1-CB 3.29Å; T127-N130 WeakPolarHBondContact OG1-CB 3.44Å; T127-N130 PolarHBondContact OG1-ND2 3.16Å; N130-K132 VanDerWaalsContact C-N 3.3Å; N130-K132 PolarHBondContact O-N 2.88Å; N130-T133 WeakPolarHBondContact O-CB 3.49Å; N130-T133 PolarHBondContact O-N 3.16Å; N130-F134 WeakPolarHBondContact O-CB 3.34Å; N130-F134 PolarHBondContact O-N 3.19Å
131F97.1Very high97.1Very high42 Ų4257.2 Ų57.218%0.18429%0.288CS..Hα-helixtrans-62.2-39.4172.8-171.3-107.8000111.4I125 T127 E129 F134 M135 A163 A166 A167I125-F131 WeakPolarHBondContact O-CA 3.44Å; I125-F131 WeakPolarHBondContact O-CB 3.45Å; I125-F131 WeakPolarHBondContact O-CD2 3.08Å; T127-F131 WeakPolarHBondContact O-CB 3.43Å; T127-F131 PolarHBondContact O-N 3.09Å; E129-F131 VanDerWaalsContact C-N 3.33Å; E129-F131 PolarHBondContact O-N 2.8Å; F131-F134 HydrophobicContact CD2-CD1 4.41Å; F131-F134 HydrophobicContact CE2-CD1 4.39Å; F131-F134 PolarHBondContact O-N 3.3Å; F131-M135 HydrophobicContact CD1-CE 3.69Å; F131-M135 HydrophobicContact CD1-CG 4.39Å; F131-M135 HydrophobicContact CD1-SD 4.11Å; F131-M135 HydrophobicContact CE1-CE 3.58Å; F131-M135 HydrophobicContact CE1-CG 4Å; F131-M135 HydrophobicContact CE1-SD 3.44Å; F131-M135 WeakPolarHBondContact CE1-SD 3.31Å; F131-M135 HydrophobicContact CZ-CG 4.12Å; F131-M135 HydrophobicContact CZ-SD 3.91Å; F131-M135 WeakPolarHBondContact O-CG 3.48Å; F131-M135 PolarHBondContact O-N 2.96Å; F131-A163 HydrophobicContact CD2-CB 4.27Å; F131-A163 HydrophobicContact CE2-CB 4.09Å; F131-A163 WeakPolarHBondContact CE2-O 3.48Å; F131-A166 HydrophobicContact CZ-CB 4.35Å; F131-A167 HydrophobicContact CE2-CB 3.96Å; F131-A167 HydrophobicContact CZ-CB 3.86Å
132K97.1Very high97.1Very high139 Ų13955.1 Ų55.160%0.60428%0.281SS*.Hα-helixtrans-63-45173.2-67.8176.3-177.8177.90111.5V128 E129 N130 F134 M135 D136V128-K132 PolarHBondContact O-N 3.21Å; E129-K132 WeakPolarHBondContact O-CB 3.4Å; E129-K132 PolarHBondContact O-N 2.81Å; N130-K132 VanDerWaalsContact C-N 3.3Å; N130-K132 PolarHBondContact O-N 2.88Å; K132-F134 VanDerWaalsContact C-N 3.34Å; K132-F134 PolarHBondContact O-N 2.97Å; K132-M135 PolarHBondContact O-N 3.23Å; K132-D136 WeakPolarHBondContact O-CB 3.38Å; K132-D136 PolarHBondContact O-N 3.15Å
133T97.4Very high97Very high51 Ų5154.6 Ų54.631%0.31328%0.278SS..Hα-helixtrans-59-46.5174.4-56.90000110.9Y121 E129 N130 M135 D136 R137Y121-T133 HydrophobicContact CD1-CG2 3.99Å; Y121-T133 HydrophobicContact CE1-CG2 3.74Å; E129-T133 PolarHBondContact O-N 2.86Å; N130-T133 WeakPolarHBondContact O-CB 3.49Å; N130-T133 PolarHBondContact O-N 3.16Å; T133-M135 PolarHBondContact O-N 3.06Å; T133-D136 PolarHBondContact O-N 2.92Å; T133-R137 HydrophobicContact CG2-CG 4.44Å; T133-R137 VanDerWaalsContact O-CG 3.31Å; T133-R137 WeakPolarHBondContact O-CG 3.34Å; T133-R137 PolarHBondContact O-N 3.03Å
134F98.3Very high96.9Very high0 Ų058.2 Ų58.20%030%0.301CS..Hα-helixtrans-58.3-48.3178.1176.9-116.9000112.1V51 V53 F77 I125 N130 F131 K132 R137 I138 V151 V164 A167V51-F134 HydrophobicContact CG1-CE2 4.08Å; V53-F134 HydrophobicContact CG2-CE2 3.53Å; V53-F134 HydrophobicContact CG2-CZ 3.77Å; F77-F134 HydrophobicContact CD1-CD2 4.14Å; F77-F134 HydrophobicContact CD2-CD2 4.03Å; F77-F134 HydrophobicContact CD2-CE2 4.24Å; F77-F134 HydrophobicContact CE1-CB 4.28Å; F77-F134 AromaticContact CE1-CD2 3.99Å; F77-F134 HydrophobicContact CE1-CD2 3.99Å; F77-F134 AromaticContact CE2-CD2 3.86Å; F77-F134 HydrophobicContact CE2-CD2 3.86Å; F77-F134 HydrophobicContact CE2-CE2 4.3Å; F77-F134 HydrophobicContact CG-CD2 4.18Å; F77-F134 AromaticContact CZ-CD2 3.85Å; F77-F134 HydrophobicContact CZ-CD2 3.85Å; I125-F134 HydrophobicContact CB-CB 4.4Å; I125-F134 HydrophobicContact CB-CG 4.31Å; I125-F134 HydrophobicContact CD1-CD1 4.5Å; I125-F134 HydrophobicContact CD1-CE1 4.29Å; I125-F134 HydrophobicContact CD1-CZ 4.4Å; I125-F134 HydrophobicContact CG2-CB 4.13Å; I125-F134 HydrophobicContact CG2-CD2 4.01Å; I125-F134 HydrophobicContact CG2-CG 4.04Å; N130-F134 WeakPolarHBondContact O-CB 3.34Å; N130-F134 PolarHBondContact O-N 3.19Å; F131-F134 HydrophobicContact CD2-CD1 4.41Å; F131-F134 HydrophobicContact CE2-CD1 4.39Å; F131-F134 PolarHBondContact O-N 3.3Å; K132-F134 VanDerWaalsContact C-N 3.34Å; K132-F134 PolarHBondContact O-N 2.97Å; F134-R137 PolarHBondContact O-N 3.45Å; F134-I138 HydrophobicContact CD1-CD1 4.07Å; F134-I138 HydrophobicContact CD2-CD1 4.35Å; F134-I138 HydrophobicContact CE1-CD1 3.57Å; F134-I138 HydrophobicContact CE2-CD1 3.87Å; F134-I138 HydrophobicContact CE2-CG1 4.31Å; F134-I138 HydrophobicContact CG-CD1 4.44Å; F134-I138 HydrophobicContact CZ-CD1 3.47Å; F134-I138 VanDerWaalsContact CZ-CD1 3.47Å; F134-I138 HydrophobicContact CZ-CG1 4.37Å; F134-I138 WeakPolarHBondContact O-CG1 3.4Å; F134-I138 PolarHBondContact O-N 2.91Å; F134-V151 HydrophobicContact CZ-CG1 4.37Å; F134-V164 HydrophobicContact CE1-CG2 4.27Å; F134-V164 HydrophobicContact CZ-CG1 4.5Å; F134-V164 HydrophobicContact CZ-CG2 3.98Å; F134-A167 HydrophobicContact CD1-CB 4.11Å; F134-A167 HydrophobicContact CE1-CB 3.81Å
135M97.9Very high96.8Very high35 Ų3557.9 Ų57.917%0.17231%0.309CS..Hα-helixtrans-62.7-42.2175.5-72-166.6-61.900112.9F131 K132 T133 R137 I138 K139 A167 L171F131-M135 HydrophobicContact CD1-CE 3.69Å; F131-M135 HydrophobicContact CD1-CG 4.39Å; F131-M135 HydrophobicContact CD1-SD 4.11Å; F131-M135 HydrophobicContact CE1-CE 3.58Å; F131-M135 HydrophobicContact CE1-CG 4Å; F131-M135 HydrophobicContact CE1-SD 3.44Å; F131-M135 WeakPolarHBondContact CE1-SD 3.31Å; F131-M135 HydrophobicContact CZ-CG 4.12Å; F131-M135 HydrophobicContact CZ-SD 3.91Å; F131-M135 WeakPolarHBondContact O-CG 3.48Å; F131-M135 PolarHBondContact O-N 2.96Å; K132-M135 PolarHBondContact O-N 3.23Å; T133-M135 PolarHBondContact O-N 3.06Å; M135-R137 VanDerWaalsContact C-N 3.32Å; M135-R137 PolarHBondContact O-N 3.43Å; M135-I138 PolarHBondContact O-N 3.41Å; M135-K139 WeakPolarHBondContact O-CB 3.34Å; M135-K139 PolarHBondContact O-N 3.36Å; M135-A167 HydrophobicContact CG-CB 3.88Å; M135-L171 HydrophobicContact CB-CD1 4.33Å
136D98.2Very high96.8Very high75 Ų7562.2 Ų62.240%0.40133%0.332SS..Hα-helixtrans-58.8-44.5176.1175.870.1000111.3K132 T133 K139 N140K132-D136 WeakPolarHBondContact O-CB 3.38Å; K132-D136 PolarHBondContact O-N 3.15Å; T133-D136 PolarHBondContact O-N 2.92Å; D136-K139 PolarHBondContact O-N 3.31Å; D136-N140 WeakPolarHBondContact O-CB 3.15Å; D136-N140 PolarHBondContact O-N 3.17Å; D136-N140 PolarHBondContact OD1-ND2 2.83Å
137R98.4Very high96.9Very high38 Ų3863 Ų6314%0.14333%0.334CS..Hα-helixtrans-71.5-29.9178.8-59.9-42.9-67.2152-2.7113.3F77 E119 Y121 T133 F134 M135 K139 N140 G141 V148F77-R137 HydrophobicContact CE2-CB 4.5Å; F77-R137 HydrophobicContact CZ-CB 4.01Å; F77-R137 HydrophobicContact CZ-CG 4.17Å; E119-R137 IonicContact OE1-CZ 2.73Å; E119-R137 IonicContact OE1-NE 2.81Å; E119-R137 PolarHBondContact OE1-NE 3.08Å; E119-R137 IonicContact OE1-NH2 3.83Å; E119-R137 PolarHBondContact OE1-NH2 2.72Å; E119-R137 IonicContact OE2-CZ 3.64Å; E119-R137 IonicContact OE2-NH2 3.8Å; E119-R137 PolarHBondContact OE2-NH2 3.49Å; Y121-R137 HydrophobicContact CE1-CG 4.42Å; Y121-R137 HydrophobicContact CE2-CG 3.73Å; Y121-R137 WeakPolarHBondContact OH-CD 3.4Å; Y121-R137 WeakPolarHBondContact OH-CG 3.44Å; Y121-R137 PolarHBondContact OH-NE 3.01Å; Y121-R137 VanDerWaalsContact OH-NE 3.1Å; T133-R137 HydrophobicContact CG2-CG 4.44Å; T133-R137 VanDerWaalsContact O-CG 3.31Å; T133-R137 WeakPolarHBondContact O-CG 3.34Å; T133-R137 PolarHBondContact O-N 3.03Å; F134-R137 PolarHBondContact O-N 3.45Å; M135-R137 VanDerWaalsContact C-N 3.32Å; M135-R137 PolarHBondContact O-N 3.43Å; R137-K139 VanDerWaalsContact C-N 3.34Å; R137-N140 PolarHBondContact NH1-O 3.07Å; R137-G141 WeakPolarHBondContact O-CA 3.32Å; R137-G141 PolarHBondContact O-N 3.29Å; R137-V148 WeakPolarHBondContact O-CG1 3.26Å
138I98.5Very high97.1Very high0 Ų060.2 Ų60.20%032%0.317CS..Hα-helixtrans-64.2-44.4168.5-69.1170.9000109.9V51 F134 M135 Q147 V148 V151 A167 L171 Q173V51-I138 HydrophobicContact CG2-CG1 4.5Å; F134-I138 HydrophobicContact CD1-CD1 4.07Å; F134-I138 HydrophobicContact CD2-CD1 4.35Å; F134-I138 HydrophobicContact CE1-CD1 3.57Å; F134-I138 HydrophobicContact CE2-CD1 3.87Å; F134-I138 HydrophobicContact CE2-CG1 4.31Å; F134-I138 HydrophobicContact CG-CD1 4.44Å; F134-I138 HydrophobicContact CZ-CD1 3.47Å; F134-I138 VanDerWaalsContact CZ-CD1 3.47Å; F134-I138 HydrophobicContact CZ-CG1 4.37Å; F134-I138 WeakPolarHBondContact O-CG1 3.4Å; F134-I138 PolarHBondContact O-N 2.91Å; M135-I138 PolarHBondContact O-N 3.41Å; I138-Q147 CarbonylContact O-C 2.91Å; I138-Q147 VanDerWaalsContact O-CA 3.25Å; I138-Q147 WeakPolarHBondContact O-CA 3.09Å; I138-V148 HydrophobicContact CB-CG2 4.43Å; I138-V148 HydrophobicContact CG2-CG2 4Å; I138-V148 PolarHBondContact O-N 2.85Å; I138-V151 HydrophobicContact CD1-CG2 3.91Å; I138-V151 HydrophobicContact CG1-CG2 3.88Å; I138-V151 HydrophobicContact CG2-CG2 4.34Å; I138-A167 HydrophobicContact CD1-CB 4.25Å; I138-L171 HydrophobicContact CB-CD1 3.8Å; I138-L171 HydrophobicContact CG2-CD1 3.55Å; I138-Q173 HydrophobicContact CG2-CB 4.07Å; I138-Q173 HydrophobicContact CG2-CG 3.8Å
139K98.1Very high97.3Very high114 Ų11456.8 Ų56.850%0.49630%0.295SS..Hα-helixtrans-76.4-31.2-174-171.1178.8178.1-179.60114.5M135 D136 R137 N146 Q147 L171M135-K139 WeakPolarHBondContact O-CB 3.34Å; M135-K139 PolarHBondContact O-N 3.36Å; D136-K139 PolarHBondContact O-N 3.31Å; R137-K139 VanDerWaalsContact C-N 3.34Å; K139-N146 CarbonylContact C-O 3.55Å; K139-N146 CarbonylContact O-C 3.54Å; K139-Q147 WeakPolarHBondContact O-CA 3.42Å; K139-Q147 PolarHBondContact O-N 3.03Å; K139-L171 HydrophobicContact CB-CD1 4.5Å; K139-L171 HydrophobicContact CB-CD2 4.46Å; K139-L171 HydrophobicContact CD-CD2 4.35Å
140N98.2Very high97.5Very high61 Ų6149.2 Ų49.233%0.32626%0.259SS..Hα-helixtrans-131.210.4-169.4-55.2-50.2000112.9D136 R137 N146D136-N140 WeakPolarHBondContact O-CB 3.15Å; D136-N140 PolarHBondContact O-N 3.17Å; D136-N140 PolarHBondContact OD1-ND2 2.83Å; R137-N140 PolarHBondContact NH1-O 3.07Å; N140-N146 CarbonylContact C-O 3.57Å; N140-N146 VanDerWaalsContact C-O 3.31Å; N140-N146 WeakPolarHBondContact CA-O 3.38Å
141G97.6Very high97.6Very high0 Ų047.3 Ų47.30%025%0.249CC..  trans-90.4-8.2-17200000115.5K73 R137 N146K73-G141 WeakPolarHBondContact CD-O 3.27Å; K73-G141 WeakPolarHBondContact CE-O 3.49Å; K73-G141 PolarHBondContact NZ-O 3.34Å; R137-G141 WeakPolarHBondContact O-CA 3.32Å; R137-G141 PolarHBondContact O-N 3.29Å; G141-N146 PolarHBondContact N-O 3.14Å
142S97.4Very high97.7Very high11 Ų1145.3 Ų45.38%0.07724%0.24CC..SBendtrans-64167.5-177.983.80000112.6T49 T144 G145 N146 Q147T49-S142 WeakPolarHBondContact OG1-CA 3.41Å; S142-T144 PolarHBondContact O-N 2.92Å; S142-T144 VanDerWaalsContact O-N 3.09Å; S142-T144 PolarHBondContact OG-N 3.48Å; S142-T144 PolarHBondContact OG-OG1 2.83Å; S142-G145 PolarHBondContact O-N 3.33Å; S142-N146 VanDerWaalsContact CB-O 3.26Å; S142-N146 WeakPolarHBondContact CB-O 3.46Å; S142-N146 PolarHBondContact N-O 2.88Å; S142-N146 PolarHBondContact OG-N 3.13Å; S142-N146 PolarHBondContact OG-O 3.41Å; S142-Q147 WeakPolarHBondContact CB-O 3.47Å
143L96.2Very high97.7Very high61 Ų6138.7 Ų38.732%0.31921%0.212SC..THydrogen-bonded Turntrans-54.8-25.2174.1-74.3165.5000113.6R46 T49 K73 Q117R46-L143 WeakPolarHBondContact O-CD1 3.42Å; T49-L143 PolarHBondContact OG1-N 3.49Å; K73-L143 HydrophobicContact CB-CD2 3.87Å; K73-L143 HydrophobicContact CB-CG 3.97Å; K73-L143 HydrophobicContact CD-CD2 4.42Å; Q117-L143 HydrophobicContact CG-CD2 4.35Å
144T95.4Very high97.7Very high109 Ų10936.9 Ų36.967%0.66920%0.201SC*.THydrogen-bonded Turntrans-102.37179.957.40000113.4S142 N146S142-T144 PolarHBondContact O-N 2.92Å; S142-T144 VanDerWaalsContact O-N 3.09Å; S142-T144 PolarHBondContact OG-N 3.48Å; S142-T144 PolarHBondContact OG-OG1 2.83Å; T144-N146 VanDerWaalsContact C-N 3.32Å; T144-N146 PolarHBondContact O-ND2 2.8Å; T144-N146 PolarHBondContact OG1-ND2 2.83Å
145G95.2Very high97.6Very high40 Ų4037.6 Ų37.641%0.41221%0.205SC..SBendtrans75.618.9-177.500000114.2S142S142-G145 PolarHBondContact O-N 3.33Å
146N96.3Very high97.2Very high97 Ų9740.6 Ų40.652%0.51922%0.222SC..SBendtrans-111.2-167.7178.8-62.3-60000110.7K139 N140 G141 S142 T144K139-N146 CarbonylContact C-O 3.55Å; K139-N146 CarbonylContact O-C 3.54Å; N140-N146 CarbonylContact C-O 3.57Å; N140-N146 VanDerWaalsContact C-O 3.31Å; N140-N146 WeakPolarHBondContact CA-O 3.38Å; G141-N146 PolarHBondContact N-O 3.14Å; S142-N146 VanDerWaalsContact CB-O 3.26Å; S142-N146 WeakPolarHBondContact CB-O 3.46Å; S142-N146 PolarHBondContact N-O 2.88Å; S142-N146 PolarHBondContact OG-N 3.13Å; S142-N146 PolarHBondContact OG-O 3.41Å; T144-N146 VanDerWaalsContact C-N 3.32Å; T144-N146 PolarHBondContact O-ND2 2.8Å; T144-N146 PolarHBondContact OG1-ND2 2.83Å
147Q97.8Very high96.8Very high75 Ų7537.9 Ų37.935%0.3521%0.208SC..  trans-63.7139.3178.6-175.4165.2-22.300110.7I138 K139 S142 L171I138-Q147 CarbonylContact O-C 2.91Å; I138-Q147 VanDerWaalsContact O-CA 3.25Å; I138-Q147 WeakPolarHBondContact O-CA 3.09Å; K139-Q147 WeakPolarHBondContact O-CA 3.42Å; K139-Q147 PolarHBondContact O-N 3.03Å; S142-Q147 WeakPolarHBondContact CB-O 3.47Å; Q147-L171 PolarHBondContact NE2-O 2.94Å; Q147-L171 PolarHBondContact OE1-O 2.99Å
148V98.6Very high96.3Very high4 Ų439 Ų392%0.02421%0.212CC..  trans-69.2155.6179.3-59.10000111.3T49 V51 I75 R137 I138 V151 Q173T49-V148 HydrophobicContact CG2-CB 4.33Å; T49-V148 HydrophobicContact CG2-CG1 3.86Å; V51-V148 HydrophobicContact CG2-CB 4.15Å; V51-V148 HydrophobicContact CG2-CG1 3.87Å; V51-V148 HydrophobicContact CG2-CG2 3.79Å; I75-V148 HydrophobicContact CD1-CG1 4.12Å; R137-V148 WeakPolarHBondContact O-CG1 3.26Å; I138-V148 HydrophobicContact CB-CG2 4.43Å; I138-V148 HydrophobicContact CG2-CG2 4Å; I138-V148 PolarHBondContact O-N 2.85Å; V148-V151 HydrophobicContact CG2-CG2 4.04Å; V148-Q173 PolarHBondContact O-NE2 3.18Å; V148-Q173 VanDerWaalsContact O-NE2 3.08Å; V148-Q173 PolarHBondContact O-OE1 3.11Å
149D98.5Very high96Very high41 Ų4142.9 Ų42.922%0.21923%0.23CC..SBendtrans-75.2-39.8-173.8-58.5-81.4000112.4F48 T49 Q173 L262F48-D149 VanDerWaalsContact CA-OD2 3.24Å; F48-D149 WeakPolarHBondContact CA-OD2 3.49Å; F48-D149 HydrophobicContact CB-CB 4.3Å; F48-D149 HydrophobicContact CD1-CB 4.08Å; F48-D149 WeakPolarHBondContact CD1-OD1 3.49Å; T49-D149 PolarHBondContact N-OD2 3.17Å; T49-D149 PolarHBondContact O-N 2.92Å; D149-Q173 PolarHBondContact O-NE2 2.76Å; D149-L262 HydrophobicContact CB-CD2 3.85Å
150L98.5Very high95.7Very high0 Ų037.6 Ų37.60%021%0.208CC..EExtended strand (participates in β ladder)trans-147.3148.5177.9-73.4172.7000112.1V50 V51 L152 R174 F176 F191 V258 C261 L262V50-L150 WeakPolarHBondContact CA-O 3.25Å; V50-L150 HydrophobicContact CG2-CB 4.4Å; V51-L150 PolarHBondContact N-O 3.46Å; L150-L152 HydrophobicContact CB-CD2 4.45Å; L150-R174 HydrophobicContact CD2-CB 3.91Å; L150-F176 HydrophobicContact CD1-CD2 4.27Å; L150-F176 HydrophobicContact CD1-CE2 3.88Å; L150-F176 HydrophobicContact CD2-CD2 4.2Å; L150-F176 HydrophobicContact CD2-CE2 4.02Å; L150-F191 HydrophobicContact CD2-CE2 3.99Å; L150-V258 HydrophobicContact CD1-CB 4.41Å; L150-V258 HydrophobicContact CD1-CG1 3.92Å; L150-V258 HydrophobicContact CD1-CG2 4.31Å; L150-C261 HydrophobicContact CD1-CB 4.48Å; L150-L262 HydrophobicContact CD1-CD1 4.21Å; L150-L262 HydrophobicContact CD1-CD2 3.73Å; L150-L262 HydrophobicContact CD1-CG 3.78Å; L150-L262 HydrophobicContact CG-CD2 4.04Å
151V98.8Very high95.6Very high0 Ų035.6 Ų35.60%020%0.196CC..EExtended strand (participates in β ladder)trans-110.9136.6165.3178.40000108.7V51 V53 F134 I138 V148 V164 Q173 R174 W175 F176V51-V151 HydrophobicContact CB-CB 4.41Å; V51-V151 HydrophobicContact CB-CG1 4.32Å; V51-V151 HydrophobicContact CB-CG2 4.05Å; V51-V151 HydrophobicContact CG1-CG1 4.32Å; V51-V151 HydrophobicContact CG2-CG2 4.35Å; V51-V151 CarbonylContact O-C 3.41Å; V51-V151 WeakPolarHBondContact O-CA 3.43Å; V53-V151 HydrophobicContact CG2-CG1 4.19Å; F134-V151 HydrophobicContact CZ-CG1 4.37Å; I138-V151 HydrophobicContact CD1-CG2 3.91Å; I138-V151 HydrophobicContact CG1-CG2 3.88Å; I138-V151 HydrophobicContact CG2-CG2 4.34Å; V148-V151 HydrophobicContact CG2-CG2 4.04Å; V151-V164 HydrophobicContact CG1-CG1 3.93Å; V151-Q173 HydrophobicContact CB-CG 4.38Å; V151-Q173 HydrophobicContact CG2-CG 3.57Å; V151-R174 PolarHBondContact N-O 3.39Å; V151-W175 HydrophobicContact CB-CB 3.81Å; V151-W175 HydrophobicContact CG1-CB 4.49Å; V151-W175 CarbonylContact O-C 3.52Å; V151-W175 WeakPolarHBondContact O-CA 3.39Å; V151-W175 WeakPolarHBondContact O-CB 3.23Å; V151-F176 PolarHBondContact O-N 3.04Å
152L98.7Very high95.3Very high0 Ų037.4 Ų37.40%021%0.205CC..EExtended strand (participates in β ladder)trans-118.3117.1177.6-48-176.7000108.9V50 V51 V52 V53 V62 L66 L150 F176 L254 V258V50-L152 HydrophobicContact CG1-CD1 3.59Å; V50-L152 HydrophobicContact CG1-CD2 4.33Å; V50-L152 HydrophobicContact CG1-CG 3.58Å; V51-L152 PolarHBondContact O-N 2.85Å; V52-L152 HydrophobicContact CG2-CD1 4.26Å; V53-L152 PolarHBondContact N-O 3.04Å; V62-L152 HydrophobicContact CG1-CD1 3.56Å; L66-L152 HydrophobicContact CD1-CD1 3.89Å; L150-L152 HydrophobicContact CB-CD2 4.45Å; L152-F176 CarbonylContact C-O 3.52Å; L152-F176 WeakPolarHBondContact CA-O 3.45Å; L152-F176 HydrophobicContact CD2-CB 3.81Å; L152-F176 HydrophobicContact CD2-CD2 3.8Å; L152-F176 HydrophobicContact CD2-CG 4.19Å; L152-L254 HydrophobicContact CD2-CD1 4.41Å; L152-V258 HydrophobicContact CD1-CG2 3.94Å; L152-V258 HydrophobicContact CD2-CG2 3.48Å; L152-V258 VanDerWaalsContact CD2-CG2 3.48Å; L152-V258 HydrophobicContact CG-CG2 4.4Å
153S98.3Very high95.2Very high0 Ų037.5 Ų37.50%021%0.206CC..EExtended strand (participates in β ladder)trans-92.1109.3174.7173.80000109.9F176 S178S153-F176 PolarHBondContact N-O 3.19Å; S153-S178 PolarHBondContact O-N 2.91Å; S153-S178 PolarHBondContact O-OG 3.41Å
154C97.6Very high95.2Very high13 Ų1334.6 Ų34.69%0.08819%0.191CC..  trans-118.525177.8-590000111.2V53 G54 V58V53-C154 CarbonylContact O-C 3.52Å; V53-C154 WeakPolarHBondContact O-CA 3.49Å; V53-C154 PolarHBondContact O-N 3.37Å; G54-C154 WeakPolarHBondContact O-CB 3.33Å; V58-C154 HydrophobicContact CB-CB 4.5Å; V58-C154 HydrophobicContact CG1-CB 4.47Å
155V95.6Very high95.2Very high16 Ų1629.4 Ų29.410%0.09716%0.159CC..  trans-78.2161.2-179.1-57.20000111.8V53 A160 R161V53-V155 HydrophobicContact CB-CG1 4.15Å; V53-V155 HydrophobicContact CG1-CG1 3.56Å; V53-V155 WeakPolarHBondContact O-CG1 2.91Å; V53-V155 PolarHBondContact O-N 2.95Å; V155-A160 HydrophobicContact CB-CB 3.93Å; V155-A160 HydrophobicContact CG1-CB 3.96Å; V155-A160 HydrophobicContact CG2-CB 3.75Å; V155-R161 HydrophobicContact CG2-CB 4.49Å; V155-R161 HydrophobicContact CG2-CG 3.54Å; V155-R161 PolarHBondContact O-NH2 3.16Å
156D90.3Very high95.2Very high98 Ų9829.1 Ų29.152%0.52415%0.153SC..SBendtrans-104.3-1.3-173.774.4-28.9000114.1K234D156-K234 IonicContact OD2-NZ 2.69Å
157N89.4Confident95.3Very high18 Ų1824.5 Ų24.510%0.09613%0.128CC..SBendtrans-132.4153.5-17664.284.2000112.1A160 R161 E230N157-A160 VanDerWaalsContact OD1-CB 3.23Å; N157-A160 WeakPolarHBondContact OD1-CB 3.03Å; N157-A160 PolarHBondContact OD1-N 2.82Å; N157-R161 VanDerWaalsContact C-NH1 3.31Å; N157-R161 WeakPolarHBondContact O-CG 3.39Å; N157-R161 PolarHBondContact O-N 2.79Å; N157-R161 PolarHBondContact O-NH1 2.94Å; N157-E230 WeakPolarHBondContact CA-OE1 3.37Å; N157-E230 WeakPolarHBondContact CA-OE2 3.49Å
158Y87.7Confident95.3Very high62 Ų6220.9 Ų20.924%0.24311%0.111CC..Hα-helixtrans-73.9-31.9-176.1-64.2-60.2000113.1A160 R161 M162 F200 P221 V223 V224 E230Y158-A160 VanDerWaalsContact C-N 3.33Å; Y158-A160 PolarHBondContact O-N 2.96Å; Y158-R161 PolarHBondContact O-N 2.9Å; Y158-M162 WeakPolarHBondContact O-CB 3.33Å; Y158-M162 VanDerWaalsContact O-CG 3.27Å; Y158-M162 WeakPolarHBondContact O-CG 3.49Å; Y158-M162 PolarHBondContact O-N 2.88Å; Y158-F200 HydrophobicContact CD1-CE1 4.18Å; Y158-F200 AromaticContact CD1-CZ 3.85Å; Y158-F200 HydrophobicContact CD1-CZ 3.85Å; Y158-F200 HydrophobicContact CE1-CZ 4.23Å; Y158-P221 HydrophobicContact CD1-CG 4.4Å; Y158-P221 HydrophobicContact CE1-CB 3.9Å; Y158-P221 HydrophobicContact CE1-CG 3.61Å; Y158-V223 HydrophobicContact CD2-CG1 4.12Å; Y158-V223 HydrophobicContact CE2-CB 4.02Å; Y158-V223 HydrophobicContact CE2-CG1 3.87Å; Y158-V224 HydrophobicContact CD1-CG2 3.22Å; Y158-V224 HydrophobicContact CD2-CG2 3.5Å; Y158-V224 VanDerWaalsContact CD2-CG2 3.5Å; Y158-V224 HydrophobicContact CE1-CG2 3.64Å; Y158-V224 HydrophobicContact CE2-CG2 3.88Å; Y158-V224 HydrophobicContact CG-CG2 3.14Å; Y158-E230 HydrophobicContact CD2-CG 4.07Å; Y158-E230 VanDerWaalsContact CD2-OE2 3.23Å; Y158-E230 WeakPolarHBondContact CD2-OE2 3.46Å; Y158-E230 PolarHBondContact N-OE2 3.34Å
159E91Very high95.1Very high80 Ų8020.7 Ų20.737%0.37411%0.11SC..Hα-helixtrans-57.8-46.4177.1-63.7-174.6159.600111I126 M162 A163 R231I126-E159 HydrophobicContact CD1-CB 3.64Å; I126-E159 HydrophobicContact CG1-CB 4.43Å; E159-M162 WeakPolarHBondContact O-CB 3.39Å; E159-M162 PolarHBondContact O-N 3.07Å; E159-A163 PolarHBondContact O-N 3.23Å; E159-R231 IonicContact OE1-NH2 3.03Å; E159-R231 IonicContact OE2-NH2 2.64Å; E159-R231 PolarHBondContact OE2-NH2 3.17Å
160A93.6Very high95Very high4 Ų422.6 Ų22.63%0.03312%0.118CC..Hα-helixtrans-68-40.7177.200000112.3I126 V155 N157 Y158 M162 A163 V164I126-A160 HydrophobicContact CD1-CB 4.06Å; I126-A160 HydrophobicContact CG1-CB 4.34Å; V155-A160 HydrophobicContact CB-CB 3.93Å; V155-A160 HydrophobicContact CG1-CB 3.96Å; V155-A160 HydrophobicContact CG2-CB 3.75Å; N157-A160 VanDerWaalsContact OD1-CB 3.23Å; N157-A160 WeakPolarHBondContact OD1-CB 3.03Å; N157-A160 PolarHBondContact OD1-N 2.82Å; Y158-A160 VanDerWaalsContact C-N 3.33Å; Y158-A160 PolarHBondContact O-N 2.96Å; A160-M162 VanDerWaalsContact C-N 3.25Å; A160-M162 PolarHBondContact O-N 3.07Å; A160-A163 WeakPolarHBondContact O-CB 3.44Å; A160-A163 PolarHBondContact O-N 2.86Å; A160-V164 WeakPolarHBondContact O-CG2 3.41Å; A160-V164 PolarHBondContact O-N 2.91Å
161R94.7Very high95Very high19 Ų1923.9 Ų23.97%0.07212%0.124CC..Hα-helixtrans-58-40.8173.9-69.1179.4178.592.12.6111.6V155 N157 Y158 V164 N165 E177 F200V155-R161 HydrophobicContact CG2-CB 4.49Å; V155-R161 HydrophobicContact CG2-CG 3.54Å; V155-R161 PolarHBondContact O-NH2 3.16Å; N157-R161 VanDerWaalsContact C-NH1 3.31Å; N157-R161 WeakPolarHBondContact O-CG 3.39Å; N157-R161 PolarHBondContact O-N 2.79Å; N157-R161 PolarHBondContact O-NH1 2.94Å; Y158-R161 PolarHBondContact O-N 2.9Å; R161-V164 PolarHBondContact O-N 3.27Å; R161-N165 WeakPolarHBondContact O-CB 3.47Å; R161-N165 PolarHBondContact O-N 3.5Å; R161-E177 WeakPolarHBondContact CD-OE1 3.45Å; R161-E177 IonicContact CZ-OE1 2.81Å; R161-E177 IonicContact NE-OE1 2.72Å; R161-E177 PolarHBondContact NE-OE1 2.93Å; R161-E177 IonicContact NH2-OE1 3.19Å; R161-F200 HydrophobicContact CB-CD1 3.88Å; R161-F200 HydrophobicContact CB-CE1 3.57Å; R161-F200 HydrophobicContact CB-CZ 4.06Å; R161-F200 VanDerWaalsContact CD-CZ 3.49Å; R161-F200 HydrophobicContact CG-CE1 4.4Å; R161-F200 HydrophobicContact CG-CZ 4.42Å
162M92.1Very high94.9Very high37 Ų3726.9 Ų26.918%0.18214%0.138CC..Hα-helixtrans-66.8-39.7177.4-75.5-62.5-46.400112.5Y158 E159 A160 N165 A166 F200 L202Y158-M162 WeakPolarHBondContact O-CB 3.33Å; Y158-M162 VanDerWaalsContact O-CG 3.27Å; Y158-M162 WeakPolarHBondContact O-CG 3.49Å; Y158-M162 PolarHBondContact O-N 2.88Å; E159-M162 WeakPolarHBondContact O-CB 3.39Å; E159-M162 PolarHBondContact O-N 3.07Å; A160-M162 VanDerWaalsContact C-N 3.25Å; A160-M162 PolarHBondContact O-N 3.07Å; M162-N165 PolarHBondContact O-N 3.4Å; M162-A166 WeakPolarHBondContact O-CB 3.4Å; M162-A166 PolarHBondContact O-N 3.45Å; M162-F200 HydrophobicContact CG-CD1 4.32Å; M162-F200 HydrophobicContact CG-CE1 4.46Å; M162-F200 HydrophobicContact SD-CD1 3.75Å; M162-F200 HydrophobicContact SD-CE1 4.3Å; M162-L202 HydrophobicContact CE-CB 3.66Å; M162-L202 HydrophobicContact CE-CD1 3.92Å; M162-L202 HydrophobicContact CE-CG 3.96Å; M162-L202 HydrophobicContact CG-CD1 3.64Å; M162-L202 HydrophobicContact CG-CG 4.27Å; M162-L202 HydrophobicContact SD-CB 3.95Å; M162-L202 HydrophobicContact SD-CD1 3.64Å; M162-L202 HydrophobicContact SD-CG 3.6Å
163A95.1Very high94.8Very high13 Ų1327 Ų2711%0.10714%0.139CC..Hα-helixtrans-61.1-48.3172.700000111.2I125 I126 F131 E159 A160 N165 A166 A167I125-A163 HydrophobicContact CD1-CB 4.19Å; I126-A163 HydrophobicContact CG1-CB 4.37Å; F131-A163 HydrophobicContact CD2-CB 4.27Å; F131-A163 HydrophobicContact CE2-CB 4.09Å; F131-A163 WeakPolarHBondContact CE2-O 3.48Å; E159-A163 PolarHBondContact O-N 3.23Å; A160-A163 WeakPolarHBondContact O-CB 3.44Å; A160-A163 PolarHBondContact O-N 2.86Å; A163-N165 VanDerWaalsContact C-N 3.33Å; A163-N165 PolarHBondContact O-N 3.38Å; A163-A166 PolarHBondContact O-N 3.18Å; A163-A167 PolarHBondContact O-N 3.33Å
164V96.8Very high94.8Very high0 Ų031.8 Ų31.80%016%0.157CC..Hα-helixtrans-58.3-45.7175.9178.30000111.1V53 I125 F134 V151 A160 R161 A166 A167 C168 W175V53-V164 HydrophobicContact CB-CG2 4.31Å; V53-V164 HydrophobicContact CG1-CG2 4.16Å; V53-V164 HydrophobicContact CG2-CG2 4.11Å; I125-V164 HydrophobicContact CD1-CG2 3.73Å; F134-V164 HydrophobicContact CE1-CG2 4.27Å; F134-V164 HydrophobicContact CZ-CG1 4.5Å; F134-V164 HydrophobicContact CZ-CG2 3.98Å; V151-V164 HydrophobicContact CG1-CG1 3.93Å; A160-V164 WeakPolarHBondContact O-CG2 3.41Å; A160-V164 PolarHBondContact O-N 2.91Å; R161-V164 PolarHBondContact O-N 3.27Å; V164-A166 PolarHBondContact O-N 2.81Å; V164-A167 PolarHBondContact O-N 2.94Å; V164-C168 WeakPolarHBondContact O-CB 3.36Å; V164-C168 PolarHBondContact O-N 3.28Å; V164-C168 PolarHBondContact O-SG 3.47Å; V164-W175 HydrophobicContact CB-CZ3 4.29Å; V164-W175 HydrophobicContact CG1-CD2 4.06Å; V164-W175 HydrophobicContact CG1-CE3 3.55Å; V164-W175 HydrophobicContact CG1-CH2 4.37Å; V164-W175 HydrophobicContact CG1-CZ3 3.73Å
165N95.6Very high94.9Very high0 Ų031.2 Ų31.20%015%0.153CC..Hα-helixtrans-59.1-47.3177.8175.687.2000112.5R161 M162 A163 C168 N169 W175 C199 F200R161-N165 WeakPolarHBondContact O-CB 3.47Å; R161-N165 PolarHBondContact O-N 3.5Å; M162-N165 PolarHBondContact O-N 3.4Å; A163-N165 VanDerWaalsContact C-N 3.33Å; A163-N165 PolarHBondContact O-N 3.38Å; N165-C168 PolarHBondContact O-N 3.44Å; N165-N169 PolarHBondContact ND2-ND2 2.95Å; N165-N169 WeakPolarHBondContact O-CB 3.49Å; N165-N169 PolarHBondContact O-N 2.99Å; N165-W175 HydrophobicContact CB-CH2 4.05Å; N165-W175 HydrophobicContact CB-CZ2 3.71Å; N165-C199 WeakPolarHBondContact OD1-CB 3.48Å; N165-F200 HydrophobicContact CB-CB 3.94Å; N165-F200 PolarHBondContact OD1-N 3.18Å
166A95Very high95Very high34 Ų3430.4 Ų30.428%0.28115%0.148SC..Hα-helixtrans-60.3-4918000000111.2F131 M162 A163 V164 C168 N169 E170F131-A166 HydrophobicContact CZ-CB 4.35Å; M162-A166 WeakPolarHBondContact O-CB 3.4Å; M162-A166 PolarHBondContact O-N 3.45Å; A163-A166 PolarHBondContact O-N 3.18Å; V164-A166 PolarHBondContact O-N 2.81Å; A166-C168 VanDerWaalsContact C-N 3.34Å; A166-C168 PolarHBondContact O-N 2.81Å; A166-N169 PolarHBondContact O-N 3.32Å; A166-E170 WeakPolarHBondContact O-CB 3.42Å; A166-E170 PolarHBondContact O-N 3.05Å
167A97Very high95.3Very high0 Ų025.8 Ų25.80%012%0.124CC..Hα-helixtrans-59.2-43.9176.600000112F131 F134 M135 I138 A163 V164 E170 L171F131-A167 HydrophobicContact CE2-CB 3.96Å; F131-A167 HydrophobicContact CZ-CB 3.86Å; F134-A167 HydrophobicContact CD1-CB 4.11Å; F134-A167 HydrophobicContact CE1-CB 3.81Å; M135-A167 HydrophobicContact CG-CB 3.88Å; I138-A167 HydrophobicContact CD1-CB 4.25Å; A163-A167 PolarHBondContact O-N 3.33Å; V164-A167 PolarHBondContact O-N 2.94Å; A167-E170 PolarHBondContact O-N 2.72Å; A167-L171 WeakPolarHBondContact O-CB 3.28Å; A167-L171 WeakPolarHBondContact O-CG 3.27Å; A167-L171 PolarHBondContact O-N 3.4Å
168C97.6Very high95.7Very high0 Ų025 Ų250%012%0.12CC..Hα-helixtrans-71.1-39-176.8-66.70000112.6V164 N165 A166 L171 H172 Q173 W175V164-C168 WeakPolarHBondContact O-CB 3.36Å; V164-C168 PolarHBondContact O-N 3.28Å; V164-C168 PolarHBondContact O-SG 3.47Å; N165-C168 PolarHBondContact O-N 3.44Å; A166-C168 VanDerWaalsContact C-N 3.34Å; A166-C168 PolarHBondContact O-N 2.81Å; C168-L171 PolarHBondContact O-N 3.28Å; C168-H172 CarbonylContact O-C 3.52Å; C168-H172 WeakPolarHBondContact O-CA 3.36Å; C168-H172 PolarHBondContact O-N 3.11Å; C168-Q173 HydrophobicContact CB-CB 4.02Å; C168-Q173 WeakPolarHBondContact CB-O 3.24Å; C168-Q173 PolarHBondContact O-N 3.21Å; C168-W175 VanDerWaalsContact CB-CD1 3.43Å; C168-W175 HydrophobicContact CB-CD2 4.49Å; C168-W175 HydrophobicContact CB-CG 4Å
169N95.7Very high95.9Very high0 Ų022.4 Ų22.40%011%0.112CC..Hα-helixtrans-64-43.5173.6-75.8-22.5000111.3N165 A166 L171 D294 H296 R300N165-N169 PolarHBondContact ND2-ND2 2.95Å; N165-N169 WeakPolarHBondContact O-CB 3.49Å; N165-N169 PolarHBondContact O-N 2.99Å; A166-N169 PolarHBondContact O-N 3.32Å; N169-L171 VanDerWaalsContact C-N 3.35Å; N169-L171 PolarHBondContact O-N 2.94Å; N169-D294 PolarHBondContact ND2-OD2 2.79Å; N169-H296 HydrophobicContact CB-CB 3.85Å; N169-R300 PolarHBondContact O-NE 2.6Å
170E96.5Very high96.1Very high80 Ų8020.7 Ų20.737%0.37411%0.106SC..Hα-helixtrans-60.8-42.8177.4-175.2172.8159.700111.7A166 A167 H296 R300A166-E170 WeakPolarHBondContact O-CB 3.42Å; A166-E170 PolarHBondContact O-N 3.05Å; A167-E170 PolarHBondContact O-N 2.72Å; E170-H296 IonicContact OE2-NE2 3.61Å; E170-R300 PolarHBondContact O-NH2 3.47Å
171L97.3Very high95.9Very high27 Ų2722 Ų2214%0.14112%0.115CC..Hα-helixtrans-92.11-176-63.2175.4000115.2M135 I138 K139 Q147 A167 C168 N169 Q173M135-L171 HydrophobicContact CB-CD1 4.33Å; I138-L171 HydrophobicContact CB-CD1 3.8Å; I138-L171 HydrophobicContact CG2-CD1 3.55Å; K139-L171 HydrophobicContact CB-CD1 4.5Å; K139-L171 HydrophobicContact CB-CD2 4.46Å; K139-L171 HydrophobicContact CD-CD2 4.35Å; Q147-L171 PolarHBondContact NE2-O 2.94Å; Q147-L171 PolarHBondContact OE1-O 2.99Å; A167-L171 WeakPolarHBondContact O-CB 3.28Å; A167-L171 WeakPolarHBondContact O-CG 3.27Å; A167-L171 PolarHBondContact O-N 3.4Å; C168-L171 PolarHBondContact O-N 3.28Å; N169-L171 VanDerWaalsContact C-N 3.35Å; N169-L171 PolarHBondContact O-N 2.94Å; L171-Q173 HydrophobicContact CB-CB 4.37Å; L171-Q173 PolarHBondContact O-N 2.95Å
172H96.8Very high95.6Very high63 Ų6327.5 Ų27.529%0.29214%0.142SC..THydrogen-bonded Turntrans56.329.3-169-147177.7000113.3C168 P194 R300C168-H172 CarbonylContact O-C 3.52Å; C168-H172 WeakPolarHBondContact O-CA 3.36Å; C168-H172 PolarHBondContact O-N 3.11Å; H172-P194 PolarHBondContact NE2-O 3.17Å; H172-R300 VanDerWaalsContact N-NH2 3.2Å
173Q98Very high95.4Very high3 Ų330.3 Ų30.31%0.01416%0.157CC..  trans-80.3126.8-175.7-179.659.552.900110.4I138 V148 D149 V151 C168 L171 P194I138-Q173 HydrophobicContact CG2-CB 4.07Å; I138-Q173 HydrophobicContact CG2-CG 3.8Å; V148-Q173 PolarHBondContact O-NE2 3.18Å; V148-Q173 VanDerWaalsContact O-NE2 3.08Å; V148-Q173 PolarHBondContact O-OE1 3.11Å; D149-Q173 PolarHBondContact O-NE2 2.76Å; V151-Q173 HydrophobicContact CB-CG 4.38Å; V151-Q173 HydrophobicContact CG2-CG 3.57Å; C168-Q173 HydrophobicContact CB-CB 4.02Å; C168-Q173 WeakPolarHBondContact CB-O 3.24Å; C168-Q173 PolarHBondContact O-N 3.21Å; L171-Q173 HydrophobicContact CB-CB 4.37Å; L171-Q173 PolarHBondContact O-N 2.95Å; Q173-P194 VanDerWaalsContact O-CD 3.29Å; Q173-P194 WeakPolarHBondContact O-CD 3.32Å; Q173-P194 VanDerWaalsContact O-CG 3.3Å; Q173-P194 WeakPolarHBondContact O-CG 3.4Å
174R98Very high95.2Very high101 Ų10129.7 Ų29.738%0.38115%0.152SC..  trans-72.3136.1168.4-62.3-178.7-60.8173.81.1109.6L150 V151 F191 V193L150-R174 HydrophobicContact CD2-CB 3.91Å; V151-R174 PolarHBondContact N-O 3.39Å; R174-F191 HydrophobicContact CB-CE2 4.06Å; R174-F191 HydrophobicContact CB-CZ 4.3Å; R174-V193 HydrophobicContact CG-CG1 4.19Å; R174-V193 HydrophobicContact CG-CG2 4.18Å
175W98.6Very high94.9Very high0 Ų031.1 Ų31.10%016%0.161CC..EExtended strand (participates in β ladder)trans-150.3157.1-176.168.6-70.1000112.2V151 V164 N165 C168 E177 F191 I192 F200V151-W175 HydrophobicContact CB-CB 3.81Å; V151-W175 HydrophobicContact CG1-CB 4.49Å; V151-W175 CarbonylContact O-C 3.52Å; V151-W175 WeakPolarHBondContact O-CA 3.39Å; V151-W175 WeakPolarHBondContact O-CB 3.23Å; V164-W175 HydrophobicContact CB-CZ3 4.29Å; V164-W175 HydrophobicContact CG1-CD2 4.06Å; V164-W175 HydrophobicContact CG1-CE3 3.55Å; V164-W175 HydrophobicContact CG1-CH2 4.37Å; V164-W175 HydrophobicContact CG1-CZ3 3.73Å; N165-W175 HydrophobicContact CB-CH2 4.05Å; N165-W175 HydrophobicContact CB-CZ2 3.71Å; C168-W175 VanDerWaalsContact CB-CD1 3.43Å; C168-W175 HydrophobicContact CB-CD2 4.49Å; C168-W175 HydrophobicContact CB-CG 4Å; W175-E177 HydrophobicContact CE3-CB 4.28Å; W175-E177 HydrophobicContact CH2-CB 4.2Å; W175-E177 HydrophobicContact CH2-CG 4.39Å; W175-E177 HydrophobicContact CZ3-CB 3.7Å; W175-E177 HydrophobicContact CZ3-CG 4.02Å; W175-F191 WeakPolarHBondContact O-CD2 3.49Å; W175-I192 HydrophobicContact CD2-CB 4.28Å; W175-I192 HydrophobicContact CD2-CD1 4.21Å; W175-I192 HydrophobicContact CE3-CD1 4.49Å; W175-I192 HydrophobicContact CG-CB 4.29Å; W175-I192 HydrophobicContact CH2-CD1 3.62Å; W175-I192 HydrophobicContact CZ2-CB 4.31Å; W175-I192 HydrophobicContact CZ2-CD1 3.24Å; W175-I192 HydrophobicContact CZ2-CG1 4.33Å; W175-I192 HydrophobicContact CZ2-CG2 4.28Å; W175-I192 HydrophobicContact CZ3-CD1 4.23Å; W175-I192 PolarHBondContact N-O 3.03Å; W175-I192 PolarHBondContact O-N 2.86Å; W175-F200 HydrophobicContact CH2-CB 4.09Å; W175-F200 HydrophobicContact CZ2-CB 4.2Å
176F98.2Very high94.8Very high0 Ų033.2 Ų33.20%018%0.176CC..EExtended strand (participates in β ladder)trans-110139.3170.7-72.6-95.6000110L150 V151 L152 S153 Q190 F191 L254 N257 V258 C261 V268L150-F176 HydrophobicContact CD1-CD2 4.27Å; L150-F176 HydrophobicContact CD1-CE2 3.88Å; L150-F176 HydrophobicContact CD2-CD2 4.2Å; L150-F176 HydrophobicContact CD2-CE2 4.02Å; V151-F176 PolarHBondContact O-N 3.04Å; L152-F176 CarbonylContact C-O 3.52Å; L152-F176 WeakPolarHBondContact CA-O 3.45Å; L152-F176 HydrophobicContact CD2-CB 3.81Å; L152-F176 HydrophobicContact CD2-CD2 3.8Å; L152-F176 HydrophobicContact CD2-CG 4.19Å; S153-F176 PolarHBondContact N-O 3.19Å; F176-Q190 CarbonylContact C-O 3.54Å; F176-Q190 VanDerWaalsContact CA-O 3.25Å; F176-Q190 WeakPolarHBondContact CA-O 3.15Å; F176-F191 HydrophobicContact CD1-CB 3.76Å; F176-F191 AromaticContact CD1-CD2 3.91Å; F176-F191 HydrophobicContact CD1-CD2 3.91Å; F176-F191 HydrophobicContact CD1-CG 4.15Å; F176-F191 AromaticContact CD2-CD2 3.71Å; F176-F191 HydrophobicContact CD2-CD2 3.71Å; F176-F191 HydrophobicContact CD2-CE2 4.1Å; F176-F191 HydrophobicContact CE1-CB 3.38Å; F176-F191 HydrophobicContact CE1-CD1 4.48Å; F176-F191 AromaticContact CE1-CD2 3.6Å; F176-F191 HydrophobicContact CE1-CD2 3.6Å; F176-F191 AromaticContact CE1-CG 3.57Å; F176-F191 HydrophobicContact CE1-CG 3.57Å; F176-F191 AromaticContact CE2-CD2 3.36Å; F176-F191 HydrophobicContact CE2-CD2 3.36Å; F176-F191 AromaticContact CE2-CE2 3.56Å; F176-F191 HydrophobicContact CE2-CE2 3.56Å; F176-F191 HydrophobicContact CE2-CG 4.1Å; F176-F191 HydrophobicContact CE2-CZ 4.41Å; F176-F191 AromaticContact CG-CD2 3.97Å; F176-F191 HydrophobicContact CG-CD2 3.97Å; F176-F191 HydrophobicContact CZ-CB 3.91Å; F176-F191 HydrophobicContact CZ-CD1 4.2Å; F176-F191 AromaticContact CZ-CD2 3.3Å; F176-F191 HydrophobicContact CZ-CD2 3.3Å; F176-F191 AromaticContact CZ-CE2 3.81Å; F176-F191 HydrophobicContact CZ-CE2 3.81Å; F176-F191 AromaticContact CZ-CG 3.53Å; F176-F191 HydrophobicContact CZ-CG 3.53Å; F176-F191 HydrophobicContact CZ-CZ 4.43Å; F176-L254 HydrophobicContact CB-CD1 3.44Å; F176-L254 VanDerWaalsContact CB-CD1 3.44Å; F176-L254 HydrophobicContact CD1-CD1 4Å; F176-L254 HydrophobicContact CG-CD1 3.82Å; F176-N257 HydrophobicContact CE1-CB 3.68Å; F176-N257 HydrophobicContact CZ-CB 4.03Å; F176-V258 HydrophobicContact CD2-CG2 4.02Å; F176-V258 HydrophobicContact CE2-CG2 4.13Å; F176-C261 HydrophobicContact CE2-CB 4.35Å; F176-C261 HydrophobicContact CZ-CB 4.27Å; F176-V268 HydrophobicContact CZ-CG1 4.39Å
177E97.3Very high94.7Very high1 Ų132 Ų321%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-103147166.7-166.5-77159.700109.2R161 W175 H188 I189 Q190 I192R161-E177 WeakPolarHBondContact CD-OE1 3.45Å; R161-E177 IonicContact CZ-OE1 2.81Å; R161-E177 IonicContact NE-OE1 2.72Å; R161-E177 PolarHBondContact NE-OE1 2.93Å; R161-E177 IonicContact NH2-OE1 3.19Å; W175-E177 HydrophobicContact CE3-CB 4.28Å; W175-E177 HydrophobicContact CH2-CB 4.2Å; W175-E177 HydrophobicContact CH2-CG 4.39Å; W175-E177 HydrophobicContact CZ3-CB 3.7Å; W175-E177 HydrophobicContact CZ3-CG 4.02Å; E177-H188 IonicContact OE2-CD2 3.13Å; E177-H188 IonicContact OE2-CE1 3.86Å; E177-H188 IonicContact OE2-NE2 2.6Å; E177-H188 PolarHBondContact OE2-NE2 3.22Å; E177-I189 CarbonylContact O-C 3.56Å; E177-I189 VanDerWaalsContact O-CA 3.27Å; E177-I189 WeakPolarHBondContact O-CA 3.31Å; E177-Q190 HydrophobicContact CB-CB 4.48Å; E177-Q190 PolarHBondContact N-O 3.3Å; E177-Q190 PolarHBondContact O-N 3.35Å; E177-I192 HydrophobicContact CB-CD1 4.24Å
178S96.5Very high94.7Very high2 Ų234.2 Ų34.21%0.01418%0.176CC..EExtended strand (participates in β ladder)trans-138.6145.8169.763.20000111.9S153 H188S153-S178 PolarHBondContact O-N 2.91Å; S153-S178 PolarHBondContact O-OG 3.41Å; S178-H188 WeakPolarHBondContact CA-O 3.38Å
179G93.4Very high94.7Very high7 Ų734.3 Ų34.37%0.07218%0.177CC..EExtended strand (participates in β ladder)trans-144.2147.9177.400000112.2G187 H188G179-G187 CarbonylContact O-C 3.59Å; G179-G187 WeakPolarHBondContact O-CA 3.44Å; G179-H188 PolarHBondContact N-O 2.64Å; G179-H188 VanDerWaalsContact N-O 3.1Å; G179-H188 PolarHBondContact O-N 2.91Å
180V93.6Very high94.7Very high43 Ų4334.9 Ų34.926%0.26118%0.18SC..EExtended strand (participates in β ladder)trans-122.7137.3170.4177.20000106.8V58 T246 I250V58-V180 HydrophobicContact CG2-CG2 3.78Å; V180-T246 HydrophobicContact CG1-CG2 3.85Å; V180-I250 HydrophobicContact CG2-CB 4.33Å; V180-I250 HydrophobicContact CG2-CG1 4.03Å; V180-I250 HydrophobicContact CG2-CG2 4.49Å
181S91Very high94.7Very high31 Ų3131.6 Ų31.622%0.21716%0.164CC..  trans-71.2155.4-179.857.60000112.2N183 A184 S186S181-N183 VanDerWaalsContact CB-OD1 3.3Å; S181-N183 WeakPolarHBondContact CB-OD1 3.38Å; S181-N183 PolarHBondContact O-N 2.96Å; S181-N183 VanDerWaalsContact O-N 3.14Å; S181-N183 PolarHBondContact OG-OD1 3.35Å; S181-A184 WeakPolarHBondContact O-CA 3.31Å; S181-A184 PolarHBondContact O-N 3.19Å; S181-S186 WeakPolarHBondContact CB-OG 3.28Å; S181-S186 PolarHBondContact N-O 3.12Å; S181-S186 PolarHBondContact OG-N 2.83Å; S181-S186 VanDerWaalsContact OG-N 3.09Å; S181-S186 PolarHBondContact OG-O 2.94Å; S181-S186 VanDerWaalsContact OG-O 3.11Å; S181-S186 PolarHBondContact OG-OG 2.84Å
182E86.9Confident94.7Very high135 Ų13530.3 Ų30.363%0.63116%0.157SC*.THydrogen-bonded Turntrans-63-21.4-178.6-64.1-179173.900114.1A240 A241E182-A240 HydrophobicContact CB-CB 4.24Å; E182-A240 HydrophobicContact CG-CB 4.35Å; E182-A241 WeakPolarHBondContact O-CA 3.5Å; E182-A241 WeakPolarHBondContact O-CB 3.45Å; E182-A241 PolarHBondContact O-N 3.02Å
183N88.2Confident94.6Very high96 Ų9627.9 Ų27.951%0.51315%0.147SC..THydrogen-bonded Turntrans-923174.764.30.4000113S181 V185S181-N183 VanDerWaalsContact CB-OD1 3.3Å; S181-N183 WeakPolarHBondContact CB-OD1 3.38Å; S181-N183 PolarHBondContact O-N 2.96Å; S181-N183 VanDerWaalsContact O-N 3.14Å; S181-N183 PolarHBondContact OG-OD1 3.35Å; N183-V185 HydrophobicContact CB-CG2 4.42Å; N183-V185 VanDerWaalsContact CG-CG2 3.46Å; N183-V185 WeakPolarHBondContact ND2-CG2 3.31Å; N183-V185 PolarHBondContact O-N 3.34Å; N183-V185 WeakPolarHBondContact OD1-CG2 3.41Å; N183-V185 PolarHBondContact OD1-N 2.91Å
184A90.3Very high94.5Very high0 Ų027.8 Ų27.80%015%0.147CC..SBendtrans58.511.3178.500000117.1S181 A241 L243 T246S181-A184 WeakPolarHBondContact O-CA 3.31Å; S181-A184 PolarHBondContact O-N 3.19Å; A184-A241 HydrophobicContact CB-CB 4.46Å; A184-L243 HydrophobicContact CB-CB 3.94Å; A184-L243 HydrophobicContact CB-CD1 3.8Å; A184-L243 HydrophobicContact CB-CG 3.97Å; A184-T246 VanDerWaalsContact O-CB 3.31Å; A184-T246 WeakPolarHBondContact O-CB 3.36Å; A184-T246 WeakPolarHBondContact O-CG2 3.14Å; A184-T246 PolarHBondContact O-OG1 3.22Å
185V91.3Very high94.2Very high31 Ų3123.1 Ų23.119%0.18813%0.13CC..SBendtrans-1024-179.9-61.70000114N183 S276 L277N183-V185 HydrophobicContact CB-CG2 4.42Å; N183-V185 VanDerWaalsContact CG-CG2 3.46Å; N183-V185 WeakPolarHBondContact ND2-CG2 3.31Å; N183-V185 PolarHBondContact O-N 3.34Å; N183-V185 WeakPolarHBondContact OD1-CG2 3.41Å; N183-V185 PolarHBondContact OD1-N 2.91Å; V185-S276 WeakPolarHBondContact CA-OG 3.46Å; V185-S276 WeakPolarHBondContact CB-OG 3.46Å; V185-S276 WeakPolarHBondContact O-CB 3.12Å; V185-S276 PolarHBondContact O-N 2.79Å; V185-S276 PolarHBondContact O-OG 2.75Å; V185-L277 HydrophobicContact CB-CD2 4.2Å; V185-L277 HydrophobicContact CB-CG 4.07Å; V185-L277 HydrophobicContact CG1-CD2 4.05Å; V185-L277 HydrophobicContact CG1-CG 4.47Å; V185-L277 HydrophobicContact CG2-CD1 4.18Å; V185-L277 HydrophobicContact CG2-CG 4.25Å
186S92.8Very high94Very high44 Ų4426.2 Ų26.231%0.30815%0.145SC..EExtended strand (participates in β ladder)trans-147.8161.1173.968.90000111.9S181 Y274S181-S186 WeakPolarHBondContact CB-OG 3.28Å; S181-S186 PolarHBondContact N-O 3.12Å; S181-S186 PolarHBondContact OG-N 2.83Å; S181-S186 VanDerWaalsContact OG-N 3.09Å; S181-S186 PolarHBondContact OG-O 2.94Å; S181-S186 VanDerWaalsContact OG-O 3.11Å; S181-S186 PolarHBondContact OG-OG 2.84Å; S186-Y274 CarbonylContact C-O 3.56Å; S186-Y274 WeakPolarHBondContact CA-O 3.33Å; S186-Y274 WeakPolarHBondContact CB-O 3.37Å
187G94.4Very high93.7Very high8 Ų826.5 Ų26.58%0.08215%0.146CC..EExtended strand (participates in β ladder)trans-165.4178.5171.300000111.3G179 G273 Y274G179-G187 CarbonylContact O-C 3.59Å; G179-G187 WeakPolarHBondContact O-CA 3.44Å; G187-G273 CarbonylContact O-C 3.52Å; G187-Y274 PolarHBondContact N-O 2.82Å; G187-Y274 PolarHBondContact O-N 3.06Å
188H95.9Very high93.3Very high46 Ų4626.4 Ų26.421%0.21315%0.146CC..EExtended strand (participates in β ladder)trans-155.1164.917766.7-71.2000111.5E177 S178 G179 Y271 L272E177-H188 IonicContact OE2-CD2 3.13Å; E177-H188 IonicContact OE2-CE1 3.86Å; E177-H188 IonicContact OE2-NE2 2.6Å; E177-H188 PolarHBondContact OE2-NE2 3.22Å; S178-H188 WeakPolarHBondContact CA-O 3.38Å; G179-H188 PolarHBondContact N-O 2.64Å; G179-H188 VanDerWaalsContact N-O 3.1Å; G179-H188 PolarHBondContact O-N 2.91Å; H188-Y271 HydrophobicContact CB-CE2 3.98Å; H188-Y271 AromaticContact CD2-CE2 3.71Å; H188-L272 CarbonylContact C-O 3.56Å; H188-L272 VanDerWaalsContact CA-O 3.28Å; H188-L272 WeakPolarHBondContact CA-O 3.45Å
189I97.1Very high93Very high2 Ų226.4 Ų26.41%0.0115%0.146CC..EExtended strand (participates in β ladder)trans-127.3144.6162.761.6173000108.9E177 I250 L253 L254 N257 Y271 L272E177-I189 CarbonylContact O-C 3.56Å; E177-I189 VanDerWaalsContact O-CA 3.27Å; E177-I189 WeakPolarHBondContact O-CA 3.31Å; I189-I250 HydrophobicContact CG2-CG2 4.08Å; I189-L253 HydrophobicContact CD1-CB 4.04Å; I189-L253 WeakPolarHBondContact CD1-O 3.27Å; I189-L254 HydrophobicContact CG2-CB 3.83Å; I189-L254 HydrophobicContact CG2-CD1 4.32Å; I189-N257 HydrophobicContact CD1-CB 4.13Å; I189-N257 WeakPolarHBondContact CD1-ND2 3.12Å; I189-Y271 WeakPolarHBondContact O-CA 3.16Å; I189-L272 HydrophobicContact CD1-CB 4.15Å; I189-L272 HydrophobicContact CD1-CD2 4.28Å; I189-L272 HydrophobicContact CG1-CB 3.77Å; I189-L272 PolarHBondContact N-O 3.25Å; I189-L272 PolarHBondContact O-N 2.93Å
190Q96.3Very high92.5Very high12 Ų1226.4 Ų26.46%0.05614%0.144CC..EExtended strand (participates in β ladder)trans-133.1126.3176-174.6178.8-20.300109.7F176 E177 I192 A198 Y270 Y271F176-Q190 CarbonylContact C-O 3.54Å; F176-Q190 VanDerWaalsContact CA-O 3.25Å; F176-Q190 WeakPolarHBondContact CA-O 3.15Å; E177-Q190 HydrophobicContact CB-CB 4.48Å; E177-Q190 PolarHBondContact N-O 3.3Å; E177-Q190 PolarHBondContact O-N 3.35Å; Q190-I192 HydrophobicContact CG-CD1 4.33Å; Q190-I192 HydrophobicContact CG-CG1 3.89Å; Q190-A198 PolarHBondContact NE2-O 3.45Å; Q190-A198 VanDerWaalsContact NE2-O 3.16Å; Q190-Y270 CarbonylContact C-O 3.54Å; Q190-Y270 WeakPolarHBondContact CA-O 3.45Å; Q190-Y271 HydrophobicContact CB-CD2 4.27Å; Q190-Y271 HydrophobicContact CG-CD2 4.4Å
191F97.3Very high91.3Very high11 Ų1124.6 Ų24.65%0.04813%0.133CC..EExtended strand (participates in β ladder)trans-89.7122.3171.2-172.1-146.7000109.7L150 R174 W175 F176 V193 V268 Y270L150-F191 HydrophobicContact CD2-CE2 3.99Å; R174-F191 HydrophobicContact CB-CE2 4.06Å; R174-F191 HydrophobicContact CB-CZ 4.3Å; W175-F191 WeakPolarHBondContact O-CD2 3.49Å; F176-F191 HydrophobicContact CD1-CB 3.76Å; F176-F191 AromaticContact CD1-CD2 3.91Å; F176-F191 HydrophobicContact CD1-CD2 3.91Å; F176-F191 HydrophobicContact CD1-CG 4.15Å; F176-F191 AromaticContact CD2-CD2 3.71Å; F176-F191 HydrophobicContact CD2-CD2 3.71Å; F176-F191 HydrophobicContact CD2-CE2 4.1Å; F176-F191 HydrophobicContact CE1-CB 3.38Å; F176-F191 HydrophobicContact CE1-CD1 4.48Å; F176-F191 AromaticContact CE1-CD2 3.6Å; F176-F191 HydrophobicContact CE1-CD2 3.6Å; F176-F191 AromaticContact CE1-CG 3.57Å; F176-F191 HydrophobicContact CE1-CG 3.57Å; F176-F191 AromaticContact CE2-CD2 3.36Å; F176-F191 HydrophobicContact CE2-CD2 3.36Å; F176-F191 AromaticContact CE2-CE2 3.56Å; F176-F191 HydrophobicContact CE2-CE2 3.56Å; F176-F191 HydrophobicContact CE2-CG 4.1Å; F176-F191 HydrophobicContact CE2-CZ 4.41Å; F176-F191 AromaticContact CG-CD2 3.97Å; F176-F191 HydrophobicContact CG-CD2 3.97Å; F176-F191 HydrophobicContact CZ-CB 3.91Å; F176-F191 HydrophobicContact CZ-CD1 4.2Å; F176-F191 AromaticContact CZ-CD2 3.3Å; F176-F191 HydrophobicContact CZ-CD2 3.3Å; F176-F191 AromaticContact CZ-CE2 3.81Å; F176-F191 HydrophobicContact CZ-CE2 3.81Å; F176-F191 AromaticContact CZ-CG 3.53Å; F176-F191 HydrophobicContact CZ-CG 3.53Å; F176-F191 HydrophobicContact CZ-CZ 4.43Å; F191-V193 HydrophobicContact CD1-CG2 4.1Å; F191-V193 HydrophobicContact CE1-CG2 3.56Å; F191-V193 HydrophobicContact CE2-CG2 4.11Å; F191-V193 HydrophobicContact CZ-CG2 3.57Å; F191-V268 HydrophobicContact CD1-CG1 3.67Å; F191-V268 HydrophobicContact CE1-CG1 4.05Å; F191-V268 HydrophobicContact CG-CG1 4.38Å; F191-Y270 HydrophobicContact CB-CD1 4.38Å; F191-Y270 AromaticContact CD1-CD1 3.95Å; F191-Y270 HydrophobicContact CD1-CD1 3.95Å; F191-Y270 AromaticContact CD1-CE1 3.94Å; F191-Y270 HydrophobicContact CD1-CE1 3.94Å; F191-Y270 HydrophobicContact CE1-CE1 4.43Å; F191-Y270 PolarHBondContact N-O 3.21Å
192I96.2Very high89.4Confident0 Ų025.4 Ų25.40%014%0.135CC..EExtended strand (participates in β ladder)trans-116.8111.8-176.4-57.5169.3000108.7W175 E177 Q190 T197 C199W175-I192 HydrophobicContact CD2-CB 4.28Å; W175-I192 HydrophobicContact CD2-CD1 4.21Å; W175-I192 HydrophobicContact CE3-CD1 4.49Å; W175-I192 HydrophobicContact CG-CB 4.29Å; W175-I192 HydrophobicContact CH2-CD1 3.62Å; W175-I192 HydrophobicContact CZ2-CB 4.31Å; W175-I192 HydrophobicContact CZ2-CD1 3.24Å; W175-I192 HydrophobicContact CZ2-CG1 4.33Å; W175-I192 HydrophobicContact CZ2-CG2 4.28Å; W175-I192 HydrophobicContact CZ3-CD1 4.23Å; W175-I192 PolarHBondContact N-O 3.03Å; W175-I192 PolarHBondContact O-N 2.86Å; E177-I192 HydrophobicContact CB-CD1 4.24Å; Q190-I192 HydrophobicContact CG-CD1 4.33Å; Q190-I192 HydrophobicContact CG-CG1 3.89Å; I192-T197 WeakPolarHBondContact CA-OG1 3.44Å; I192-C199 HydrophobicContact CG2-CB 4.42Å
193V96.3Very high86.9Confident13 Ų1319.8 Ų19.88%0.07911%0.111CC..  trans-105.4105.2169.3-177.70000106.9R174 F191 G195 E196 T197R174-V193 HydrophobicContact CG-CG1 4.19Å; R174-V193 HydrophobicContact CG-CG2 4.18Å; F191-V193 HydrophobicContact CD1-CG2 4.1Å; F191-V193 HydrophobicContact CE1-CG2 3.56Å; F191-V193 HydrophobicContact CE2-CG2 4.11Å; F191-V193 HydrophobicContact CZ-CG2 3.57Å; V193-G195 PolarHBondContact O-N 3.21Å; V193-E196 HydrophobicContact CB-CB 4.02Å; V193-E196 HydrophobicContact CG1-CB 3.83Å; V193-E196 PolarHBondContact O-N 3.2Å; V193-T197 HydrophobicContact CB-CG2 4.47Å; V193-T197 PolarHBondContact N-OG1 3.2Å; V193-T197 PolarHBondContact O-N 3.32Å; V193-T197 PolarHBondContact O-OG1 3.24Å
194P95.3Very high84.2Confident1 Ų123 Ų231%0.00613%0.127CC..BIsolated β-bridgetrans-52.7124.2-177.2-27.935.1000111.8H172 Q173 E196 R300H172-P194 PolarHBondContact NE2-O 3.17Å; Q173-P194 VanDerWaalsContact O-CD 3.29Å; Q173-P194 WeakPolarHBondContact O-CD 3.32Å; Q173-P194 VanDerWaalsContact O-CG 3.3Å; Q173-P194 WeakPolarHBondContact O-CG 3.4Å; P194-E196 PolarHBondContact O-N 3.2Å; P194-R300 HydrophobicContact CB-CB 4.23Å; P194-R300 HydrophobicContact CB-CG 3.89Å
195G92.4Very high81.3Confident3 Ų331.6 Ų31.63%0.03116%0.16CC..THydrogen-bonded Turntrans93.7-29.4-178.900000115.3V193 P288 R300V193-G195 PolarHBondContact O-N 3.21Å; G195-P288 WeakPolarHBondContact O-CG 3.36Å; G195-R300 VanDerWaalsContact CA-C 3.47Å
196E92.6Very high78.3Confident65 Ų6534.4 Ų34.430%0.30418%0.181SC..THydrogen-bonded Turntrans-95.4-39.5179.1175.7167.4-15700112.6V193 P194 P288 Y304V193-E196 HydrophobicContact CB-CB 4.02Å; V193-E196 HydrophobicContact CG1-CB 3.83Å; V193-E196 PolarHBondContact O-N 3.2Å; P194-E196 PolarHBondContact O-N 3.2Å; E196-P288 WeakPolarHBondContact O-CD 3.2Å; E196-P288 WeakPolarHBondContact O-CG 3.37Å; E196-Y304 HydrophobicContact CB-CD2 3.87Å; E196-Y304 HydrophobicContact CB-CE1 4.38Å; E196-Y304 HydrophobicContact CB-CE2 3.66Å; E196-Y304 HydrophobicContact CB-CG 4.29Å; E196-Y304 HydrophobicContact CG-CD2 4.39Å; E196-Y304 HydrophobicContact CG-CE1 4.31Å; E196-Y304 HydrophobicContact CG-CE2 3.67Å; E196-Y304 PolarHBondContact OE1-OH 3.14Å; E196-Y304 VanDerWaalsContact OE1-OH 3.12Å
197T92.2Very high75.6Confident5 Ų538.6 Ų38.63%0.03121%0.205CC..BIsolated β-bridgetrans-121.4165-17963.50000112I192 V193 C199 Y270 L286I192-T197 WeakPolarHBondContact CA-OG1 3.44Å; V193-T197 HydrophobicContact CB-CG2 4.47Å; V193-T197 PolarHBondContact N-OG1 3.2Å; V193-T197 PolarHBondContact O-N 3.32Å; V193-T197 PolarHBondContact O-OG1 3.24Å; T197-C199 PolarHBondContact O-N 3.19Å; T197-Y270 HydrophobicContact CG2-CD1 3.45Å; T197-Y270 VanDerWaalsContact CG2-CD1 3.45Å; T197-Y270 HydrophobicContact CG2-CE1 3.61Å; T197-Y270 HydrophobicContact CG2-CG 4.36Å; T197-L286 WeakPolarHBondContact CA-O 3.2Å
198A90.2Very high72.8Confident0 Ų043.3 Ų43.30%023%0.232CC..  trans-55.4121.7174.300000111.4Q190 C218 L286 K287Q190-A198 PolarHBondContact NE2-O 3.45Å; Q190-A198 VanDerWaalsContact NE2-O 3.16Å; A198-C218 HydrophobicContact CB-CB 4.08Å; A198-L286 HydrophobicContact CB-CB 3.56Å; A198-L286 PolarHBondContact N-O 2.82Å; A198-K287 WeakPolarHBondContact CB-O 3.39Å
199C88.4Confident69.8Low1 Ų147.9 Ų47.91%0.00726%0.257CS..  trans-79.9169167.472.50000111.1N165 I192 T197 A201 C218 C297N165-C199 WeakPolarHBondContact OD1-CB 3.48Å; I192-C199 HydrophobicContact CG2-CB 4.42Å; T197-C199 PolarHBondContact O-N 3.19Å; C199-A201 VanDerWaalsContact C-N 3.31Å; C199-A201 PolarHBondContact O-N 2.8Å; C199-C218 WeakPolarHBondContact O-CB 3.47Å; C199-C297 PolarHBondContact SG-SG 2.85Å
200F83.4Confident66.7Low7 Ų755.3 Ų55.33%0.03130%0.296CS..  trans-80.4-6.3-178.7-160.2-99.8000114.2Y158 R161 M162 N165 W175 P221Y158-F200 HydrophobicContact CD1-CE1 4.18Å; Y158-F200 AromaticContact CD1-CZ 3.85Å; Y158-F200 HydrophobicContact CD1-CZ 3.85Å; Y158-F200 HydrophobicContact CE1-CZ 4.23Å; R161-F200 HydrophobicContact CB-CD1 3.88Å; R161-F200 HydrophobicContact CB-CE1 3.57Å; R161-F200 HydrophobicContact CB-CZ 4.06Å; R161-F200 VanDerWaalsContact CD-CZ 3.49Å; R161-F200 HydrophobicContact CG-CE1 4.4Å; R161-F200 HydrophobicContact CG-CZ 4.42Å; M162-F200 HydrophobicContact CG-CD1 4.32Å; M162-F200 HydrophobicContact CG-CE1 4.46Å; M162-F200 HydrophobicContact SD-CD1 3.75Å; M162-F200 HydrophobicContact SD-CE1 4.3Å; N165-F200 HydrophobicContact CB-CB 3.94Å; N165-F200 PolarHBondContact OD1-N 3.18Å; W175-F200 HydrophobicContact CH2-CB 4.09Å; W175-F200 HydrophobicContact CZ2-CB 4.2Å; F200-P221 HydrophobicContact CE2-CG 4.31Å; F200-P221 HydrophobicContact CZ-CG 4.05Å
201A68.8Low63.7Low5 Ų562.2 Ų62.24%0.04133%0.333CS..  trans-55149.3-164.200000117.8C199 D294C199-A201 VanDerWaalsContact C-N 3.31Å; C199-A201 PolarHBondContact O-N 2.8Å; A201-D294 HydrophobicContact CB-CB 3.71Å
202L51.1Low60.5Low49 Ų4967.1 Ų67.126%0.25737%0.368SS..  trans-99.7157.1-179.6-91.7171.2000113.6M162 L204 V224 D293M162-L202 HydrophobicContact CE-CB 3.66Å; M162-L202 HydrophobicContact CE-CD1 3.92Å; M162-L202 HydrophobicContact CE-CG 3.96Å; M162-L202 HydrophobicContact CG-CD1 3.64Å; M162-L202 HydrophobicContact CG-CG 4.27Å; M162-L202 HydrophobicContact SD-CB 3.95Å; M162-L202 HydrophobicContact SD-CD1 3.64Å; M162-L202 HydrophobicContact SD-CG 3.6Å; L202-L204 PolarHBondContact O-N 2.98Å; L202-V224 HydrophobicContact CD1-CG1 3.83Å; L202-V224 HydrophobicContact CD2-CB 4.17Å; L202-V224 HydrophobicContact CD2-CG1 3.15Å; L202-V224 WeakPolarHBondContact CD2-O 3.33Å; L202-V224 HydrophobicContact CG-CG1 3.36Å; L202-D293 WeakPolarHBondContact O-CB 3.3Å
203A34.8Very low57.7Low16 Ų1671.7 Ų71.713%0.13240%0.401CS..  trans-76.9114.9163.600000112.4K227 D293A203-K227 WeakPolarHBondContact O-CE 3.23Å; A203-K227 PolarHBondContact O-NZ 3.42Å; A203-D293 WeakPolarHBondContact CA-OD2 3.45Å; A203-D293 WeakPolarHBondContact CB-OD2 3.36Å; A203-D293 PolarHBondContact N-OD2 2.83Å
204L31.7Very low54.6Low163 Ų16377.7 Ų77.785%0.85344%0.442SS*.  trans-79.3116.8153.3-74.7170.3000107.2L202 S206L202-L204 PolarHBondContact O-N 2.98Å; L204-S206 PolarHBondContact O-N 3.05Å
205W28.7Very low51.8Low181 Ų18182 Ų8269%0.68646%0.463SS*.  trans-86.7106176.4-145.145.2000104.9K227W205-K227 VanDerWaalsContact CB-NZ 3.31Å
206S28.8Very low49.5Very low90 Ų9088.9 Ų88.963%0.62950%0.499SS*.  trans-67.8130.7155.8-172.90000106.6L204 T208L204-S206 PolarHBondContact O-N 3.05Å; S206-T208 PolarHBondContact O-N 3.21Å; S206-T208 PolarHBondContact OG-OG1 3.03Å
207V35.4Very low47.5Very low132 Ų13288.7 Ų88.780%0.850%0.497SS*.THydrogen-bonded Turntrans-67.712.9-171.5-178.60000112.8
208T36.5Very low45.8Very low108 Ų10889.1 Ų89.166%0.66350%0.5SS*.THydrogen-bonded Turntrans-103.50.4-164-27.20000115.8S206S206-T208 PolarHBondContact O-N 3.21Å; S206-T208 PolarHBondContact OG-OG1 3.03Å
209L32.9Very low44.2Very low141 Ų14191.4 Ų91.474%0.73852%0.519SS*.  trans-13990.2175.7-93.2115.2000113.4L211L209-L211 PolarHBondContact O-N 2.9Å
210L30.9Very low42.5Very low158 Ų15892.4 Ų92.483%0.82753%0.526SS*.  trans-64.3105.5147-84.3143.7000107.4
211L34.2Very low41.3Very low157 Ų15794 Ų9482%0.82254%0.536SS*.SBendtrans165.9110.3145.6-87.8155.6000110.6L209L209-L211 PolarHBondContact O-N 2.9Å
212S30.1Very low40.6Very low114 Ų114100.6 Ų100.680%0.79757%0.57SS**  trans50.685139-162.50000119.3
213S36.9Very low40.7Very low97 Ų97100.1 Ų100.168%0.67857%0.569SS**  trans-176.1125.7136.119.90000109.3I215S213-I215 PolarHBondContact O-N 2.93Å
214C32Very low41.8Very low139 Ų13999.8 Ų99.894%0.93957%0.565SS**  trans-63.790.6167-87.90000108.3L216C214-L216 PolarHBondContact O-N 3.1Å
215I36Very low42.8Very low90 Ų9093.3 Ų93.346%0.46254%0.536SS..  trans-69.8102.9171.9-63.2170.9000106.5S213 K217 T291S213-I215 PolarHBondContact O-N 2.93Å; I215-K217 PolarHBondContact O-N 3.48Å; I215-K217 VanDerWaalsContact O-N 3.08Å; I215-T291 WeakPolarHBondContact CG2-OG1 3.4Å
216L43.4Very low44.4Very low149 Ų14987.3 Ų87.378%0.7852%0.521SS*.  trans-68.7102.2-176.7-162.874.1000109.3C214 N289C214-L216 PolarHBondContact O-N 3.1Å; L216-N289 PolarHBondContact O-ND2 2.97Å; L216-N289 PolarHBondContact O-OD1 2.89Å
217K51.2Low45.9Very low60 Ų6088.2 Ų88.226%0.26151%0.514SS..  trans-65.9158.7-176.1-55.5174.1-172.41740111.6I215 A219 P220 A225I215-K217 PolarHBondContact O-N 3.48Å; I215-K217 VanDerWaalsContact O-N 3.08Å; K217-A219 PolarHBondContact O-N 3.38Å; K217-P220 HydrophobicContact CB-CG 3.5Å; K217-P220 HydrophobicContact CD-CG 3.49Å; K217-P220 VanDerWaalsContact CD-CG 3.49Å; K217-P220 HydrophobicContact CG-CG 4.1Å; K217-A225 PolarHBondContact NZ-O 3.39Å
218C56Low47.4Very low15 Ų1586 Ų8610%0.10150%0.497CS..SBendtrans-52.7-46-174-75.40000114.1A198 C199 N289A198-C218 HydrophobicContact CB-CB 4.08Å; C199-C218 WeakPolarHBondContact O-CB 3.47Å; C218-N289 HydrophobicContact CB-CB 4.24Å; C218-N289 WeakPolarHBondContact SG-CB 3.34Å; C218-N289 PolarHBondContact SG-N 3.11Å
219A57Low48.8Very low48 Ų4884.3 Ų84.340%0.39748%0.484SS..SBendtrans171.557.6162.100000110.8K217 L286K217-A219 PolarHBondContact O-N 3.38Å; A219-L286 HydrophobicContact CB-CD1 4.36Å
220P52.8Low50.5Low22 Ų2278.8 Ų78.814%0.14345%0.454CS..  trans-71.1140.9177.828.4-30.3000110.4K217 V224 A225K217-P220 HydrophobicContact CB-CG 3.5Å; K217-P220 HydrophobicContact CD-CG 3.49Å; K217-P220 VanDerWaalsContact CD-CG 3.49Å; K217-P220 HydrophobicContact CG-CG 4.1Å; P220-V224 HydrophobicContact CB-CB 4.22Å; P220-V224 HydrophobicContact CB-CG1 3.83Å; P220-A225 HydrophobicContact CG-CB 4.14Å
221P58.7Low52.3Low39 Ų3979.4 Ų79.425%0.25345%0.446SS..  trans-52.3150.5168.2-27.736.6000111.5Y158 F200 V223 V224 A225Y158-P221 HydrophobicContact CD1-CG 4.4Å; Y158-P221 HydrophobicContact CE1-CB 3.9Å; Y158-P221 HydrophobicContact CE1-CG 3.61Å; F200-P221 HydrophobicContact CE2-CG 4.31Å; F200-P221 HydrophobicContact CZ-CG 4.05Å; P221-V223 VanDerWaalsContact C-N 3.28Å; P221-V223 PolarHBondContact O-N 2.88Å; P221-V224 HydrophobicContact CB-CB 4.35Å; P221-V224 HydrophobicContact CB-CG2 4.08Å; P221-V224 HydrophobicContact CG-CG2 4.24Å; P221-V224 CarbonylContact O-C 3.5Å; P221-V224 WeakPolarHBondContact O-CA 3.37Å; P221-V224 VanDerWaalsContact O-CB 3.28Å; P221-V224 WeakPolarHBondContact O-CB 3.27Å; P221-V224 PolarHBondContact O-N 2.88Å; P221-A225 PolarHBondContact O-N 2.9Å
222L52.9Low53.8Low145 Ų14576.6 Ų76.676%0.75944%0.435SS*.Hα-helixtrans-57.4-39.3-173.8-177.362.1000113.3V224 A225 S226L222-V224 VanDerWaalsContact C-N 3.28Å; L222-V224 PolarHBondContact O-N 2.91Å; L222-A225 CarbonylContact O-C 3.44Å; L222-A225 WeakPolarHBondContact O-CB 3.21Å; L222-A225 PolarHBondContact O-N 2.91Å; L222-S226 WeakPolarHBondContact O-CB 3.44Å; L222-S226 PolarHBondContact O-N 3.09Å; L222-S226 PolarHBondContact O-OG 3.47Å; L222-S226 VanDerWaalsContact O-OG 3.05Å
223V54.9Low55.3Low39 Ų3975.1 Ų75.124%0.23642%0.418CS..Hα-helixtrans-58.2-43.3175.41690000111.5Y158 P221 S226 K227 L233Y158-V223 HydrophobicContact CD2-CG1 4.12Å; Y158-V223 HydrophobicContact CE2-CB 4.02Å; Y158-V223 HydrophobicContact CE2-CG1 3.87Å; P221-V223 VanDerWaalsContact C-N 3.28Å; P221-V223 PolarHBondContact O-N 2.88Å; V223-S226 WeakPolarHBondContact CA-OG 3.22Å; V223-S226 PolarHBondContact O-N 3.13Å; V223-S226 PolarHBondContact O-OG 3.46Å; V223-K227 PolarHBondContact O-N 3.38Å; V223-L233 HydrophobicContact CB-CD1 4.16Å; V223-L233 HydrophobicContact CG1-CD1 3.29Å; V223-L233 HydrophobicContact CG2-CD1 3.77Å
224V56.7Low56.6Low8 Ų874.8 Ų74.85%0.04840%0.404CS..Hα-helixtrans-68.1-46.7177.6178.10000108.3Y158 L202 P220 P221 L222 S226 K227Y158-V224 HydrophobicContact CD1-CG2 3.22Å; Y158-V224 HydrophobicContact CD2-CG2 3.5Å; Y158-V224 VanDerWaalsContact CD2-CG2 3.5Å; Y158-V224 HydrophobicContact CE1-CG2 3.64Å; Y158-V224 HydrophobicContact CE2-CG2 3.88Å; Y158-V224 HydrophobicContact CG-CG2 3.14Å; L202-V224 HydrophobicContact CD1-CG1 3.83Å; L202-V224 HydrophobicContact CD2-CB 4.17Å; L202-V224 HydrophobicContact CD2-CG1 3.15Å; L202-V224 WeakPolarHBondContact CD2-O 3.33Å; L202-V224 HydrophobicContact CG-CG1 3.36Å; P220-V224 HydrophobicContact CB-CB 4.22Å; P220-V224 HydrophobicContact CB-CG1 3.83Å; P221-V224 HydrophobicContact CB-CB 4.35Å; P221-V224 HydrophobicContact CB-CG2 4.08Å; P221-V224 HydrophobicContact CG-CG2 4.24Å; P221-V224 CarbonylContact O-C 3.5Å; P221-V224 WeakPolarHBondContact O-CA 3.37Å; P221-V224 VanDerWaalsContact O-CB 3.28Å; P221-V224 WeakPolarHBondContact O-CB 3.27Å; P221-V224 PolarHBondContact O-N 2.88Å; L222-V224 VanDerWaalsContact C-N 3.28Å; L222-V224 PolarHBondContact O-N 2.91Å; V224-S226 VanDerWaalsContact C-N 3.27Å; V224-S226 PolarHBondContact O-N 2.79Å; V224-K227 PolarHBondContact O-N 2.87Å
225A53.6Low57.8Low28 Ų2875.8 Ų75.823%0.23139%0.392CS..Hα-helixtrans-61.4-31.3177.700000113.9K217 P220 P221 L222K217-A225 PolarHBondContact NZ-O 3.39Å; P220-A225 HydrophobicContact CG-CB 4.14Å; P221-A225 PolarHBondContact O-N 2.9Å; L222-A225 CarbonylContact O-C 3.44Å; L222-A225 WeakPolarHBondContact O-CB 3.21Å; L222-A225 PolarHBondContact O-N 2.91Å
226S61.2Low58.9Low55 Ų5579.7 Ų79.739%0.38541%0.414SS..Hα-helixtrans-89-5.8-179.564.40000114.5L222 V223 V224 I228L222-S226 WeakPolarHBondContact O-CB 3.44Å; L222-S226 PolarHBondContact O-N 3.09Å; L222-S226 PolarHBondContact O-OG 3.47Å; L222-S226 VanDerWaalsContact O-OG 3.05Å; V223-S226 WeakPolarHBondContact CA-OG 3.22Å; V223-S226 PolarHBondContact O-N 3.13Å; V223-S226 PolarHBondContact O-OG 3.46Å; V224-S226 VanDerWaalsContact C-N 3.27Å; V224-S226 PolarHBondContact O-N 2.79Å; S226-I228 PolarHBondContact O-N 3.3Å; S226-I228 WeakPolarHBondContact OG-CD1 3.44Å; S226-I228 WeakPolarHBondContact OG-CG1 3.37Å
227K59.7Low59.5Low108 Ų10876.5 Ų76.547%0.4742%0.417SS..THydrogen-bonded Turntrans57.125179.7-55.6-173.8175.5-159.60114.8A203 W205 V223 V224 D229A203-K227 WeakPolarHBondContact O-CE 3.23Å; A203-K227 PolarHBondContact O-NZ 3.42Å; W205-K227 VanDerWaalsContact CB-NZ 3.31Å; V223-K227 PolarHBondContact O-N 3.38Å; V224-K227 PolarHBondContact O-N 2.87Å; K227-D229 PolarHBondContact O-N 3.18Å
228I67.7Low59.9Low85 Ų8578.6 Ų78.644%0.43644%0.435SS..  trans-70.8128.2171.2-62174.8000106.5S226 E230 T232 L233S226-I228 PolarHBondContact O-N 3.3Å; S226-I228 WeakPolarHBondContact OG-CD1 3.44Å; S226-I228 WeakPolarHBondContact OG-CG1 3.37Å; I228-E230 PolarHBondContact O-N 3.48Å; I228-E230 VanDerWaalsContact O-N 3.13Å; I228-T232 WeakPolarHBondContact CG2-OG1 3.49Å; I228-L233 HydrophobicContact CB-CD1 4.4Å; I228-L233 HydrophobicContact CG2-CD1 3.9Å; I228-L233 HydrophobicContact CG2-CG 4.19Å
229D66.9Low60.3Low74 Ų7483.4 Ų83.440%0.39647%0.468SS..  trans-58.3120.3172.7177.3-1.6000107.9K227 R231 T232K227-D229 PolarHBondContact O-N 3.18Å; D229-R231 PolarHBondContact O-N 3.48Å; D229-R231 VanDerWaalsContact O-N 3.09Å; D229-R231 VanDerWaalsContact OD1-CB 3.31Å; D229-R231 WeakPolarHBondContact OD1-CB 3.44Å; D229-R231 VanDerWaalsContact OD1-CG 3.3Å; D229-R231 WeakPolarHBondContact OD1-CG 3.46Å; D229-R231 PolarHBondContact OD1-N 2.8Å; D229-T232 HydrophobicContact CB-CG2 4.05Å; D229-T232 WeakPolarHBondContact O-CB 3.26Å; D229-T232 PolarHBondContact O-N 3.25Å; D229-T232 PolarHBondContact O-OG1 3.1Å
230E67.9Low61.1Low25 Ų2583.8 Ų83.812%0.11747%0.471CS..Hα-helixtrans-57.3-27.6-177.9-166.6-177.1162.500111.7N157 Y158 I228 T232 L233 K234N157-E230 WeakPolarHBondContact CA-OE1 3.37Å; N157-E230 WeakPolarHBondContact CA-OE2 3.49Å; Y158-E230 HydrophobicContact CD2-CG 4.07Å; Y158-E230 VanDerWaalsContact CD2-OE2 3.23Å; Y158-E230 WeakPolarHBondContact CD2-OE2 3.46Å; Y158-E230 PolarHBondContact N-OE2 3.34Å; I228-E230 PolarHBondContact O-N 3.48Å; I228-E230 VanDerWaalsContact O-N 3.13Å; E230-T232 PolarHBondContact O-N 2.81Å; E230-L233 WeakPolarHBondContact O-CB 3.2Å; E230-L233 PolarHBondContact O-N 2.69Å; E230-K234 PolarHBondContact O-N 2.9Å; E230-K234 VanDerWaalsContact O-N 3.13Å; E230-K234 IonicContact OE1-NZ 2.76Å
231R68.9Low62.2Low171 Ų17185.5 Ų85.565%0.64549%0.486SS*.Hα-helixtrans-63.4-24.7174.6-58.4173.5-167.6-172.55.6112.5E159 D229E159-R231 IonicContact OE1-NH2 3.03Å; E159-R231 IonicContact OE2-NH2 2.64Å; E159-R231 PolarHBondContact OE2-NH2 3.17Å; D229-R231 PolarHBondContact O-N 3.48Å; D229-R231 VanDerWaalsContact O-N 3.09Å; D229-R231 VanDerWaalsContact OD1-CB 3.31Å; D229-R231 WeakPolarHBondContact OD1-CB 3.44Å; D229-R231 VanDerWaalsContact OD1-CG 3.3Å; D229-R231 WeakPolarHBondContact OD1-CG 3.46Å; D229-R231 PolarHBondContact OD1-N 2.8Å
232T64.4Low63.3Low98 Ų9884.6 Ų84.660%0.60148%0.481SS*.Hα-helixtrans-80.4-20.3175.467.90000113I228 D229 E230I228-T232 WeakPolarHBondContact CG2-OG1 3.49Å; D229-T232 HydrophobicContact CB-CG2 4.05Å; D229-T232 WeakPolarHBondContact O-CB 3.26Å; D229-T232 PolarHBondContact O-N 3.25Å; D229-T232 PolarHBondContact O-OG1 3.1Å; E230-T232 PolarHBondContact O-N 2.81Å
233L63.5Low65Low83 Ų8381.4 Ų81.444%0.43547%0.465SS..Hα-helixtrans-82.8-35.7174.3-77146.9000111.3V223 I228 E230 K235V223-L233 HydrophobicContact CB-CD1 4.16Å; V223-L233 HydrophobicContact CG1-CD1 3.29Å; V223-L233 HydrophobicContact CG2-CD1 3.77Å; I228-L233 HydrophobicContact CB-CD1 4.4Å; I228-L233 HydrophobicContact CG2-CD1 3.9Å; I228-L233 HydrophobicContact CG2-CG 4.19Å; E230-L233 WeakPolarHBondContact O-CB 3.2Å; E230-L233 PolarHBondContact O-N 2.69Å; L233-K235 PolarHBondContact O-N 3.01Å; L233-K235 VanDerWaalsContact O-N 3.1Å
234K63.3Low66.9Low90 Ų9081.6 Ų81.639%0.39147%0.467SS..SBendtrans-72.899.8173-68.2-174.1179.9-179.20109.5D156 E230 D236D156-K234 IonicContact OD2-NZ 2.69Å; E230-K234 PolarHBondContact O-N 2.9Å; E230-K234 VanDerWaalsContact O-N 3.13Å; E230-K234 IonicContact OE1-NZ 2.76Å; K234-D236 PolarHBondContact O-N 3.05Å
235K57.7Low68.7Low159 Ų15985.5 Ų85.569%0.69149%0.49SS*.  trans-69.2127168.7-71.5-177.2-179.8177.20109.2L233 G237 V238L233-K235 PolarHBondContact O-N 3.01Å; L233-K235 VanDerWaalsContact O-N 3.1Å; K235-G237 PolarHBondContact O-N 2.83Å; K235-V238 HydrophobicContact CB-CB 4.19Å; K235-V238 HydrophobicContact CB-CG2 3.72Å; K235-V238 WeakPolarHBondContact O-CB 3.02Å; K235-V238 PolarHBondContact O-N 2.82Å
236D57.8Low70.7Confident173 Ų17384.2 Ų84.293%0.92548%0.48SS*.THydrogen-bonded Turntrans-52.6128.4174.6-71.9-35.1000110.7K234K234-D236 PolarHBondContact O-N 3.05Å
237G56.8Low72.3Confident82 Ų8282.2 Ų82.285%0.84547%0.465SS*.THydrogen-bonded Turntrans86.1-4.9-176.800000115.7K235K235-G237 PolarHBondContact O-N 2.83Å
238V59.6Low74.1Confident104 Ų10478 Ų7863%0.6345%0.452SS*.  trans-98.199.4173-174.50000109.1K235K235-V238 HydrophobicContact CB-CB 4.19Å; K235-V238 HydrophobicContact CB-CG2 3.72Å; K235-V238 WeakPolarHBondContact O-CB 3.02Å; K235-V238 PolarHBondContact O-N 2.82Å
239C64.3Low75.5Confident116 Ų11676.2 Ų76.278%0.78445%0.445SS*.PPolyproline II helixtrans-75.9134.7171.1-68.50000109.9A241C239-A241 PolarHBondContact O-N 3.39Å
240A74.1Confident76.9Confident56 Ų5672.8 Ų72.846%0.46343%0.426SS..PPolyproline II helixtrans-54.2131.9165.700000109.3E182 S242E182-A240 HydrophobicContact CB-CB 4.24Å; E182-A240 HydrophobicContact CG-CB 4.35Å; A240-S242 PolarHBondContact O-N 3.26Å
241A76.7Confident78.4Confident57 Ų5771.6 Ų71.647%0.47142%0.421SS..PPolyproline II helixtrans-60.5140.5171.700000108.1E182 A184 C239E182-A241 WeakPolarHBondContact O-CA 3.5Å; E182-A241 WeakPolarHBondContact O-CB 3.45Å; E182-A241 PolarHBondContact O-N 3.02Å; A184-A241 HydrophobicContact CB-CB 4.46Å; C239-A241 PolarHBondContact O-N 3.39Å
242S80.8Confident79.8Confident21 Ų2164.7 Ų64.715%0.14740%0.403CS..  trans-145.6113.5-173.1100.80000109.5N88 R89 A240 M247N88-S242 PolarHBondContact ND2-O 2.62Å; N88-S242 PolarHBondContact ND2-OG 2.94Å; R89-S242 PolarHBondContact NE-OG 3.15Å; A240-S242 PolarHBondContact O-N 3.26Å; S242-M247 VanDerWaalsContact CB-CE 3.49Å
243L88.9Confident81.4Confident78 Ų7861.9 Ų61.941%0.40838%0.384SS..  trans-101.2129.8179-81156.8000110.1A184 T245 T246 M247A184-L243 HydrophobicContact CB-CB 3.94Å; A184-L243 HydrophobicContact CB-CD1 3.8Å; A184-L243 HydrophobicContact CB-CG 3.97Å; L243-T245 PolarHBondContact O-N 2.74Å; L243-T246 PolarHBondContact O-N 3.05Å; L243-M247 WeakPolarHBondContact O-CG 3.5Å; L243-M247 PolarHBondContact O-N 3.31Å
244P93.8Very high83.1Confident43 Ų4357.9 Ų57.928%0.27936%0.363SS..Hα-helixtrans-63.1-26.3176.325.5-33.6000112.3L90 G248L90-P244 HydrophobicContact CD2-CB 4.2Å; L90-P244 HydrophobicContact CG-CB 4.1Å; P244-G248 PolarHBondContact O-N 3.38Å
245T95.8Very high84.7Confident89 Ų8953.9 Ų53.955%0.54635%0.346SS..Hα-helixtrans-64.4-54.7176.150.10000111.5L243 M247 G248 V249L243-T245 PolarHBondContact O-N 2.74Å; T245-M247 VanDerWaalsContact C-N 3.32Å; T245-M247 PolarHBondContact O-N 2.98Å; T245-G248 PolarHBondContact O-N 2.9Å; T245-G248 VanDerWaalsContact O-N 3.12Å; T245-V249 WeakPolarHBondContact O-CG2 3.36Å; T245-V249 PolarHBondContact O-N 3.43Å
246T94.4Very high86.7Confident1 Ų150.9 Ų50.91%0.00633%0.334CS..Hα-helixtrans-61.3-41.9179.7-49.20000111.2V180 A184 L243 G248 V249 I250 Y274V180-T246 HydrophobicContact CG1-CG2 3.85Å; A184-T246 VanDerWaalsContact O-CB 3.31Å; A184-T246 WeakPolarHBondContact O-CB 3.36Å; A184-T246 WeakPolarHBondContact O-CG2 3.14Å; A184-T246 PolarHBondContact O-OG1 3.22Å; L243-T246 PolarHBondContact O-N 3.05Å; T246-G248 PolarHBondContact O-N 3.2Å; T246-V249 PolarHBondContact O-N 2.84Å; T246-I250 WeakPolarHBondContact O-CG1 3.16Å; T246-I250 PolarHBondContact O-N 2.79Å; T246-Y274 HydrophobicContact CG2-CD1 4.2Å; T246-Y274 HydrophobicContact CG2-CE1 4.08Å
247M95.2Very high88.6Confident14 Ų1442.8 Ų42.87%0.06929%0.291CS..Hα-helixtrans-62.2-42.9174.8-68.2174.3174.800112.1V58 R89 S242 L243 T245 I250 A251V58-M247 HydrophobicContact CG2-CB 4.3Å; V58-M247 HydrophobicContact CG2-CG 4.23Å; R89-M247 HydrophobicContact CB-SD 4.22Å; R89-M247 HydrophobicContact CG-CE 4.22Å; R89-M247 HydrophobicContact CG-SD 3.71Å; S242-M247 VanDerWaalsContact CB-CE 3.49Å; L243-M247 WeakPolarHBondContact O-CG 3.5Å; L243-M247 PolarHBondContact O-N 3.31Å; T245-M247 VanDerWaalsContact C-N 3.32Å; T245-M247 PolarHBondContact O-N 2.98Å; M247-I250 PolarHBondContact O-N 3.26Å; M247-A251 WeakPolarHBondContact O-CB 3.42Å; M247-A251 PolarHBondContact O-N 2.7Å
248G96.8Very high90.6Very high20 Ų2038.9 Ų38.921%0.20625%0.251CS..Hα-helixtrans-63.1-41.7176.600000112.9P244 T245 T246 G252P244-G248 PolarHBondContact O-N 3.38Å; T245-G248 PolarHBondContact O-N 2.9Å; T245-G248 VanDerWaalsContact O-N 3.12Å; T246-G248 PolarHBondContact O-N 3.2Å; G248-G252 PolarHBondContact O-N 3.21Å
249V97.4Very high92.5Very high47 Ų4734.6 Ų34.629%0.28523%0.225SC..Hα-helixtrans-62.5-52.3175.2172.40000110.4T245 T246 A251 G252 L253 Y274 F281T245-V249 WeakPolarHBondContact O-CG2 3.36Å; T245-V249 PolarHBondContact O-N 3.43Å; T246-V249 PolarHBondContact O-N 2.84Å; V249-A251 PolarHBondContact O-N 2.96Å; V249-G252 PolarHBondContact O-N 3.17Å; V249-L253 HydrophobicContact CG1-CD1 3.94Å; V249-L253 HydrophobicContact CG1-CG 4.3Å; V249-L253 WeakPolarHBondContact O-CB 3.29Å; V249-L253 VanDerWaalsContact O-CG 3.31Å; V249-L253 WeakPolarHBondContact O-CG 3.48Å; V249-L253 PolarHBondContact O-N 3.35Å; V249-Y274 HydrophobicContact CB-CD1 4.22Å; V249-Y274 HydrophobicContact CB-CE1 3.98Å; V249-Y274 HydrophobicContact CG1-CD1 3.71Å; V249-Y274 HydrophobicContact CG1-CD2 4.35Å; V249-Y274 HydrophobicContact CG1-CE1 3.8Å; V249-Y274 HydrophobicContact CG1-CE2 4.44Å; V249-Y274 HydrophobicContact CG1-CG 3.99Å; V249-Y274 HydrophobicContact CG2-CE1 4.22Å; V249-F281 HydrophobicContact CG1-CE1 4.32Å
250I97.5Very high94.1Very high1 Ų130.5 Ų30.51%0.00519%0.193CC..Hα-helixtrans-62.6-42.3-179.5-64.4-54.6000111.5V58 V180 I189 T246 M247 L253 L254 Y274V58-I250 HydrophobicContact CG1-CG2 4.16Å; V58-I250 HydrophobicContact CG2-CG2 4.39Å; V180-I250 HydrophobicContact CG2-CB 4.33Å; V180-I250 HydrophobicContact CG2-CG1 4.03Å; V180-I250 HydrophobicContact CG2-CG2 4.49Å; I189-I250 HydrophobicContact CG2-CG2 4.08Å; T246-I250 WeakPolarHBondContact O-CG1 3.16Å; T246-I250 PolarHBondContact O-N 2.79Å; M247-I250 PolarHBondContact O-N 3.26Å; I250-L253 PolarHBondContact O-N 3.43Å; I250-L254 VanDerWaalsContact O-CB 3.24Å; I250-L254 WeakPolarHBondContact O-CB 3.41Å; I250-L254 PolarHBondContact O-N 2.87Å; I250-Y274 HydrophobicContact CD1-CD1 4.21Å
251A98.4Very high95.2Very high0 Ų028.9 Ų28.90%018%0.178CC..Hα-helixtrans-61.5-44.2175.300000112.1V58 V61 V62 M247 V249 L254 V255V58-A251 HydrophobicContact CG1-CB 4.22Å; V61-A251 HydrophobicContact CB-CB 3.76Å; V61-A251 HydrophobicContact CG1-CB 3.63Å; V62-A251 HydrophobicContact CG2-CB 3.83Å; M247-A251 WeakPolarHBondContact O-CB 3.42Å; M247-A251 PolarHBondContact O-N 2.7Å; V249-A251 PolarHBondContact O-N 2.96Å; A251-L254 PolarHBondContact O-N 3.23Å; A251-V255 WeakPolarHBondContact O-CG2 3.34Å; A251-V255 PolarHBondContact O-N 3.4Å
252G98.4Very high96.2Very high26 Ų2626.9 Ų26.927%0.26816%0.16SC..Hα-helixtrans-62.6-46.6176.700000112.6G248 V249 L254 V255 Q256G248-G252 PolarHBondContact O-N 3.21Å; V249-G252 PolarHBondContact O-N 3.17Å; G252-L254 VanDerWaalsContact C-N 3.34Å; G252-L254 PolarHBondContact O-N 2.86Å; G252-V255 PolarHBondContact O-N 3.29Å; G252-Q256 VanDerWaalsContact O-CB 3.23Å; G252-Q256 WeakPolarHBondContact O-CB 3.46Å; G252-Q256 PolarHBondContact O-N 3.39Å
253L98.2Very high97Very high39 Ų3926.1 Ų26.120%0.20415%0.154CC..Hα-helixtrans-62.7-40.8176.4-68.6178.1000111.9I189 V249 I250 N257 L272 F281I189-L253 HydrophobicContact CD1-CB 4.04Å; I189-L253 WeakPolarHBondContact CD1-O 3.27Å; V249-L253 HydrophobicContact CG1-CD1 3.94Å; V249-L253 HydrophobicContact CG1-CG 4.3Å; V249-L253 WeakPolarHBondContact O-CB 3.29Å; V249-L253 VanDerWaalsContact O-CG 3.31Å; V249-L253 WeakPolarHBondContact O-CG 3.48Å; V249-L253 PolarHBondContact O-N 3.35Å; I250-L253 PolarHBondContact O-N 3.43Å; L253-N257 PolarHBondContact O-N 2.83Å; L253-N257 PolarHBondContact O-ND2 3.08Å; L253-L272 HydrophobicContact CB-CD2 4.37Å; L253-L272 HydrophobicContact CD1-CD2 3.97Å; L253-L272 HydrophobicContact CD1-CG 4.44Å; L253-L272 HydrophobicContact CD2-CD2 3.85Å; L253-L272 HydrophobicContact CG-CD2 4.28Å; L253-F281 HydrophobicContact CD1-CD1 4.26Å; L253-F281 HydrophobicContact CD1-CE1 4.13Å
254L98.6Very high97.4Very high0 Ų025.8 Ų25.80%017%0.169CC..Hα-helixtrans-61.8-54.9177.1178.153.7000110.6V62 L152 F176 I189 I250 A251 G252 Q256 N257 V258V62-L254 HydrophobicContact CG1-CD2 4.44Å; V62-L254 HydrophobicContact CG2-CB 4.47Å; V62-L254 HydrophobicContact CG2-CD2 3.71Å; V62-L254 HydrophobicContact CG2-CG 4.32Å; L152-L254 HydrophobicContact CD2-CD1 4.41Å; F176-L254 HydrophobicContact CB-CD1 3.44Å; F176-L254 VanDerWaalsContact CB-CD1 3.44Å; F176-L254 HydrophobicContact CD1-CD1 4Å; F176-L254 HydrophobicContact CG-CD1 3.82Å; I189-L254 HydrophobicContact CG2-CB 3.83Å; I189-L254 HydrophobicContact CG2-CD1 4.32Å; I250-L254 VanDerWaalsContact O-CB 3.24Å; I250-L254 WeakPolarHBondContact O-CB 3.41Å; I250-L254 PolarHBondContact O-N 2.87Å; A251-L254 PolarHBondContact O-N 3.23Å; G252-L254 VanDerWaalsContact C-N 3.34Å; G252-L254 PolarHBondContact O-N 2.86Å; L254-Q256 VanDerWaalsContact C-N 3.31Å; L254-Q256 PolarHBondContact O-N 3.21Å; L254-N257 PolarHBondContact O-N 3Å; L254-N257 VanDerWaalsContact O-N 3.07Å; L254-V258 HydrophobicContact CD1-CG2 4.37Å; L254-V258 WeakPolarHBondContact O-CG2 3.48Å; L254-V258 PolarHBondContact O-N 3.13Å
255V98.7Very high97.5Very high6 Ų625.2 Ų25.24%0.03616%0.162CC..Hα-helixtrans-63.9-37.5-179.4174.90000111.4V62 M65 L66 A251 G252 N257 V258 L259V62-V255 HydrophobicContact CB-CG2 4.12Å; V62-V255 HydrophobicContact CG1-CG2 3.86Å; V62-V255 HydrophobicContact CG2-CG2 4.14Å; M65-V255 HydrophobicContact CB-CB 4.29Å; M65-V255 HydrophobicContact CB-CG1 4.01Å; M65-V255 HydrophobicContact CB-CG2 3.97Å; M65-V255 HydrophobicContact SD-CB 4.26Å; M65-V255 HydrophobicContact SD-CG2 4.2Å; L66-V255 HydrophobicContact CD2-CG1 3.92Å; L66-V255 HydrophobicContact CG-CG1 4.28Å; L66-V255 HydrophobicContact CG-CG2 4.16Å; A251-V255 WeakPolarHBondContact O-CG2 3.34Å; A251-V255 PolarHBondContact O-N 3.4Å; G252-V255 PolarHBondContact O-N 3.29Å; V255-N257 VanDerWaalsContact C-N 3.28Å; V255-N257 PolarHBondContact O-N 2.97Å; V255-V258 WeakPolarHBondContact O-CB 3.2Å; V255-V258 PolarHBondContact O-N 3.28Å; V255-L259 HydrophobicContact CG1-CD1 4.24Å; V255-L259 HydrophobicContact CG1-CG 4.22Å; V255-L259 WeakPolarHBondContact O-CG 3.36Å; V255-L259 PolarHBondContact O-N 2.72Å
256Q98.6Very high97.5Very high95 Ų9524.5 Ų24.544%0.44417%0.172SC..Hα-helixtrans-59.7-39.6174.1-170.765.95.800111.8G252 L254 K260G252-Q256 VanDerWaalsContact O-CB 3.23Å; G252-Q256 WeakPolarHBondContact O-CB 3.46Å; G252-Q256 PolarHBondContact O-N 3.39Å; L254-Q256 VanDerWaalsContact C-N 3.31Å; L254-Q256 PolarHBondContact O-N 3.21Å; Q256-K260 VanDerWaalsContact O-CG 3.32Å; Q256-K260 WeakPolarHBondContact O-CG 3.35Å; Q256-K260 PolarHBondContact O-N 2.74Å
257N98.3Very high97.6Very high3 Ų333 Ų332%0.01621%0.209CC..Hα-helixtrans-72-35.3175.3-82.3-81.2000113.2F176 I189 L253 L254 V255 K260 C261 S269F176-N257 HydrophobicContact CE1-CB 3.68Å; F176-N257 HydrophobicContact CZ-CB 4.03Å; I189-N257 HydrophobicContact CD1-CB 4.13Å; I189-N257 WeakPolarHBondContact CD1-ND2 3.12Å; L253-N257 PolarHBondContact O-N 2.83Å; L253-N257 PolarHBondContact O-ND2 3.08Å; L254-N257 PolarHBondContact O-N 3Å; L254-N257 VanDerWaalsContact O-N 3.07Å; V255-N257 VanDerWaalsContact C-N 3.28Å; V255-N257 PolarHBondContact O-N 2.97Å; N257-K260 PolarHBondContact O-N 3.49Å; N257-K260 WeakPolarHBondContact OD1-CE 3.17Å; N257-K260 PolarHBondContact OD1-NZ 3.44Å; N257-C261 VanDerWaalsContact O-CB 3.25Å; N257-C261 WeakPolarHBondContact O-CB 3.33Å; N257-C261 PolarHBondContact O-N 2.93Å; N257-S269 WeakPolarHBondContact OD1-CB 3.49Å; N257-S269 PolarHBondContact OD1-N 2.9Å
258V98.6Very high97.7Very high0 Ų034 Ų340%022%0.216CC..Hα-helixtrans-59.7-48.3171.5170.20000110.6L66 L150 L152 F176 L254 V255 C261 L262L66-V258 HydrophobicContact CD2-CG1 3.89Å; L150-V258 HydrophobicContact CD1-CB 4.41Å; L150-V258 HydrophobicContact CD1-CG1 3.92Å; L150-V258 HydrophobicContact CD1-CG2 4.31Å; L152-V258 HydrophobicContact CD1-CG2 3.94Å; L152-V258 HydrophobicContact CD2-CG2 3.48Å; L152-V258 VanDerWaalsContact CD2-CG2 3.48Å; L152-V258 HydrophobicContact CG-CG2 4.4Å; F176-V258 HydrophobicContact CD2-CG2 4.02Å; F176-V258 HydrophobicContact CE2-CG2 4.13Å; L254-V258 HydrophobicContact CD1-CG2 4.37Å; L254-V258 WeakPolarHBondContact O-CG2 3.48Å; L254-V258 PolarHBondContact O-N 3.13Å; V255-V258 WeakPolarHBondContact O-CB 3.2Å; V255-V258 PolarHBondContact O-N 3.28Å; V258-C261 PolarHBondContact O-N 3.38Å; V258-L262 HydrophobicContact CG1-CD1 3.74Å; V258-L262 HydrophobicContact CG1-CG 4.29Å; V258-L262 WeakPolarHBondContact O-CB 3.46Å; V258-L262 WeakPolarHBondContact O-CG 3.31Å; V258-L262 PolarHBondContact O-N 2.95Å
259L98.5Very high97.7Very high15 Ų1534 Ų348%0.07921%0.213CC..Hα-helixtrans-61.9-47.2178.1-66.5177.9000111.6I45 C69 V255 C261 L262 L263 F265I45-L259 HydrophobicContact CD1-CD2 3.7Å; I45-L259 HydrophobicContact CG1-CD2 4.39Å; C69-L259 HydrophobicContact CB-CD2 4.4Å; V255-L259 HydrophobicContact CG1-CD1 4.24Å; V255-L259 HydrophobicContact CG1-CG 4.22Å; V255-L259 WeakPolarHBondContact O-CG 3.36Å; V255-L259 PolarHBondContact O-N 2.72Å; L259-C261 VanDerWaalsContact C-N 3.27Å; L259-C261 PolarHBondContact O-N 3.48Å; L259-L262 PolarHBondContact O-N 2.98Å; L259-L263 HydrophobicContact CD2-CD1 4.25Å; L259-L263 VanDerWaalsContact O-CB 3.31Å; L259-L263 WeakPolarHBondContact O-CB 3.38Å; L259-L263 PolarHBondContact O-N 3.49Å; L259-F265 HydrophobicContact CB-CE1 3.94Å; L259-F265 HydrophobicContact CB-CZ 3.99Å; L259-F265 VanDerWaalsContact O-CE1 3.28Å; L259-F265 WeakPolarHBondContact O-CE1 3.42Å
260K98.2Very high97.5Very high29 Ų2935 Ų3513%0.12621%0.212CC..Hα-helixtrans-56.2-42.7174.9-73.4-175.8-59.4178.20111.8Q256 N257 G264 F265 K267 V268Q256-K260 VanDerWaalsContact O-CG 3.32Å; Q256-K260 WeakPolarHBondContact O-CG 3.35Å; Q256-K260 PolarHBondContact O-N 2.74Å; N257-K260 PolarHBondContact O-N 3.49Å; N257-K260 WeakPolarHBondContact OD1-CE 3.17Å; N257-K260 PolarHBondContact OD1-NZ 3.44Å; K260-G264 WeakPolarHBondContact O-CA 3.23Å; K260-G264 PolarHBondContact O-N 2.93Å; K260-F265 VanDerWaalsContact CB-O 3.29Å; K260-F265 WeakPolarHBondContact CB-O 3.46Å; K260-F265 HydrophobicContact CG-CD2 4.12Å; K260-F265 HydrophobicContact CG-CE1 4.33Å; K260-F265 HydrophobicContact CG-CE2 3.7Å; K260-F265 HydrophobicContact CG-CZ 3.81Å; K260-F265 VanDerWaalsContact CG-O 3.31Å; K260-F265 WeakPolarHBondContact CG-O 3.15Å; K260-F265 PolarHBondContact O-N 3Å; K260-K267 WeakPolarHBondContact CD-O 3.35Å; K260-K267 WeakPolarHBondContact CE-O 3.16Å; K260-K267 PolarHBondContact NZ-O 3.46Å; K260-V268 HydrophobicContact CB-CG2 4.01Å
261C97.4Very high97.4Very high22 Ų2237.6 Ų37.615%0.14922%0.222CC..Hα-helixtrans-68.3-44.8-179.3-176.40000112.8L150 F176 N257 V258 L259 V268L150-C261 HydrophobicContact CD1-CB 4.48Å; F176-C261 HydrophobicContact CE2-CB 4.35Å; F176-C261 HydrophobicContact CZ-CB 4.27Å; N257-C261 VanDerWaalsContact O-CB 3.25Å; N257-C261 WeakPolarHBondContact O-CB 3.33Å; N257-C261 PolarHBondContact O-N 2.93Å; V258-C261 PolarHBondContact O-N 3.38Å; L259-C261 VanDerWaalsContact C-N 3.27Å; L259-C261 PolarHBondContact O-N 3.48Å; C261-V268 HydrophobicContact CB-CG2 4.13Å
262L98Very high97.3Very high16 Ų1638.5 Ų38.58%0.08423%0.227CC..Hα-helixtrans-78.1-39.9-176.5-67.9179.3000112.5I45 F48 V50 I71 D149 L150 V258 L259I45-L262 HydrophobicContact CD1-CD1 4.4Å; F48-L262 HydrophobicContact CB-CD1 3.93Å; F48-L262 HydrophobicContact CB-CD2 4.36Å; F48-L262 HydrophobicContact CD1-CD2 3.97Å; F48-L262 HydrophobicContact CD2-CB 3.8Å; F48-L262 HydrophobicContact CD2-CD1 4.05Å; F48-L262 HydrophobicContact CD2-CD2 4.36Å; F48-L262 HydrophobicContact CD2-CG 4.29Å; F48-L262 HydrophobicContact CE1-CD2 4.34Å; F48-L262 HydrophobicContact CE2-CB 3.81Å; F48-L262 WeakPolarHBondContact CE2-O 3.45Å; F48-L262 HydrophobicContact CG-CB 4.28Å; F48-L262 HydrophobicContact CG-CD1 4.04Å; F48-L262 HydrophobicContact CG-CD2 3.97Å; F48-L262 HydrophobicContact CG-CG 4.32Å; F48-L262 HydrophobicContact CZ-CB 4.26Å; F48-L262 WeakPolarHBondContact CZ-O 3.3Å; V50-L262 HydrophobicContact CG2-CD1 4.13Å; I71-L262 HydrophobicContact CD1-CD1 4.23Å; D149-L262 HydrophobicContact CB-CD2 3.85Å; L150-L262 HydrophobicContact CD1-CD1 4.21Å; L150-L262 HydrophobicContact CD1-CD2 3.73Å; L150-L262 HydrophobicContact CD1-CG 3.78Å; L150-L262 HydrophobicContact CG-CD2 4.04Å; V258-L262 HydrophobicContact CG1-CD1 3.74Å; V258-L262 HydrophobicContact CG1-CG 4.29Å; V258-L262 WeakPolarHBondContact O-CB 3.46Å; V258-L262 WeakPolarHBondContact O-CG 3.31Å; V258-L262 PolarHBondContact O-N 2.95Å; L259-L262 PolarHBondContact O-N 2.98Å
263L97.8Very high97.1Very high5 Ų537.4 Ų37.43%0.02622%0.215CC..Hα-helixtrans-970.9-174.8-58.6172.5000113.4V39 N41 Y42 D44 I45 F48 L259 F265V39-L263 HydrophobicContact CG1-CB 3.88Å; V39-L263 HydrophobicContact CG1-CD1 4.02Å; V39-L263 HydrophobicContact CG1-CG 4.44Å; N41-L263 PolarHBondContact OD1-O 3.36Å; Y42-L263 HydrophobicContact CD2-CD1 4.17Å; Y42-L263 HydrophobicContact CE2-CD1 4.31Å; D44-L263 HydrophobicContact CB-CD2 4.22Å; I45-L263 HydrophobicContact CB-CD1 4.46Å; I45-L263 HydrophobicContact CB-CD2 4.13Å; I45-L263 HydrophobicContact CD1-CD1 4.42Å; F48-L263 HydrophobicContact CE2-CD2 4.06Å; L259-L263 HydrophobicContact CD2-CD1 4.25Å; L259-L263 VanDerWaalsContact O-CB 3.31Å; L259-L263 WeakPolarHBondContact O-CB 3.38Å; L259-L263 PolarHBondContact O-N 3.49Å; L263-F265 HydrophobicContact CB-CD1 3.75Å; L263-F265 HydrophobicContact CB-CE1 3.97Å; L263-F265 HydrophobicContact CD1-CE1 4.28Å; L263-F265 PolarHBondContact O-N 2.86Å
264G96.5Very high97Very high70 Ų7036.9 Ų36.972%0.72221%0.211SC*.THydrogen-bonded Turntrans63.33817100000114.8K260K260-G264 WeakPolarHBondContact O-CA 3.23Å; K260-G264 PolarHBondContact O-N 2.93Å
265F96.9Very high96.8Very high32 Ų3239 Ų3914%0.1422%0.222CC..  trans-121.3154.217774.1-83.9000112.2I38 V39 L259 K260 L263I38-F265 HydrophobicContact CG2-CD2 4.31Å; I38-F265 WeakPolarHBondContact O-CB 3.42Å; V39-F265 HydrophobicContact CG1-CD1 4.19Å; V39-F265 HydrophobicContact CG2-CB 4.33Å; V39-F265 HydrophobicContact CG2-CD1 3.64Å; V39-F265 HydrophobicContact CG2-CD2 4.06Å; V39-F265 HydrophobicContact CG2-CE1 3.85Å; V39-F265 HydrophobicContact CG2-CE2 4.27Å; V39-F265 HydrophobicContact CG2-CG 3.75Å; V39-F265 HydrophobicContact CG2-CZ 4.18Å; L259-F265 HydrophobicContact CB-CE1 3.94Å; L259-F265 HydrophobicContact CB-CZ 3.99Å; L259-F265 VanDerWaalsContact O-CE1 3.28Å; L259-F265 WeakPolarHBondContact O-CE1 3.42Å; K260-F265 VanDerWaalsContact CB-O 3.29Å; K260-F265 WeakPolarHBondContact CB-O 3.46Å; K260-F265 HydrophobicContact CG-CD2 4.12Å; K260-F265 HydrophobicContact CG-CE1 4.33Å; K260-F265 HydrophobicContact CG-CE2 3.7Å; K260-F265 HydrophobicContact CG-CZ 3.81Å; K260-F265 VanDerWaalsContact CG-O 3.31Å; K260-F265 WeakPolarHBondContact CG-O 3.15Å; K260-F265 PolarHBondContact O-N 3Å; L263-F265 HydrophobicContact CB-CD1 3.75Å; L263-F265 HydrophobicContact CB-CE1 3.97Å; L263-F265 HydrophobicContact CD1-CE1 4.28Å; L263-F265 PolarHBondContact O-N 2.86Å
266G95.3Very high96.6Very high73 Ų7340.2 Ų40.275%0.75323%0.231SC*.SBendtrans59.1-160.8-17900000113.4
267K96.4Very high96.3Very high181 Ų18141.6 Ų41.679%0.78724%0.241SC*.  trans-107.9119.1178.8-176.7179178.9-178.90110.7K260K260-K267 WeakPolarHBondContact CD-O 3.35Å; K260-K267 WeakPolarHBondContact CE-O 3.16Å; K260-K267 PolarHBondContact NZ-O 3.46Å
268V97.1Very high96.2Very high34 Ų3447.1 Ų47.121%0.20627%0.27CS..  trans-68.4133.3173.3-179.10000109.8F176 F191 K260 C261F176-V268 HydrophobicContact CZ-CG1 4.39Å; F191-V268 HydrophobicContact CD1-CG1 3.67Å; F191-V268 HydrophobicContact CE1-CG1 4.05Å; F191-V268 HydrophobicContact CG-CG1 4.38Å; K260-V268 HydrophobicContact CB-CG2 4.01Å; C261-V268 HydrophobicContact CB-CG2 4.13Å
269S96.3Very high96.1Very high21 Ų2152.8 Ų52.815%0.14730%0.301CS..  trans-90.8126.6176.4-58.20000109.8N257N257-S269 WeakPolarHBondContact OD1-CB 3.49Å; N257-S269 PolarHBondContact OD1-N 2.9Å
270Y94.4Very high95.9Very high68 Ų6858.1 Ų58.127%0.26732%0.32SS..SBendtrans-79.4-34.9177.2-71.3-74.6000113Q190 F191 T197 V285Q190-Y270 CarbonylContact C-O 3.54Å; Q190-Y270 WeakPolarHBondContact CA-O 3.45Å; F191-Y270 HydrophobicContact CB-CD1 4.38Å; F191-Y270 AromaticContact CD1-CD1 3.95Å; F191-Y270 HydrophobicContact CD1-CD1 3.95Å; F191-Y270 AromaticContact CD1-CE1 3.94Å; F191-Y270 HydrophobicContact CD1-CE1 3.94Å; F191-Y270 HydrophobicContact CE1-CE1 4.43Å; F191-Y270 PolarHBondContact N-O 3.21Å; T197-Y270 HydrophobicContact CG2-CD1 3.45Å; T197-Y270 VanDerWaalsContact CG2-CD1 3.45Å; T197-Y270 HydrophobicContact CG2-CE1 3.61Å; T197-Y270 HydrophobicContact CG2-CG 4.36Å; Y270-V285 HydrophobicContact CD2-CB 4.46Å; Y270-V285 HydrophobicContact CD2-CG1 4.02Å; Y270-V285 HydrophobicContact CD2-CG2 3.77Å; Y270-V285 HydrophobicContact CG-CG1 4.18Å; Y270-V285 HydrophobicContact CG-CG2 4.4Å
271Y95.6Very high95.9Very high55 Ų5561 Ų6122%0.21633%0.333CS..EExtended strand (participates in β ladder)trans-140.2135.6165.8178.7-86.2000107.5H188 I189 Q190 S283 Y284 L286H188-Y271 HydrophobicContact CB-CE2 3.98Å; H188-Y271 AromaticContact CD2-CE2 3.71Å; I189-Y271 WeakPolarHBondContact O-CA 3.16Å; Q190-Y271 HydrophobicContact CB-CD2 4.27Å; Q190-Y271 HydrophobicContact CG-CD2 4.4Å; Y271-S283 WeakPolarHBondContact O-CA 3.33Å; Y271-S283 PolarHBondContact O-OG 3.43Å; Y271-Y284 WeakPolarHBondContact CB-O 3.31Å; Y271-Y284 AromaticContact CD1-CD2 3.69Å; Y271-Y284 HydrophobicContact CD1-CD2 3.69Å; Y271-Y284 HydrophobicContact CD1-CE2 4.5Å; Y271-Y284 AromaticContact CE1-CD2 3.97Å; Y271-Y284 HydrophobicContact CE1-CD2 3.97Å; Y271-Y284 HydrophobicContact CE1-CE2 4.4Å; Y271-Y284 PolarHBondContact N-O 2.9Å; Y271-Y284 PolarHBondContact O-N 2.9Å; Y271-L286 HydrophobicContact CD2-CD1 4.05Å
272L95.1Very high95.7Very high19 Ų1960.9 Ų60.910%0.09933%0.332CS..EExtended strand (participates in β ladder)trans-139113.5171.4179.364.9000108.4H188 I189 L253 F281 P282H188-L272 CarbonylContact C-O 3.56Å; H188-L272 VanDerWaalsContact CA-O 3.28Å; H188-L272 WeakPolarHBondContact CA-O 3.45Å; I189-L272 HydrophobicContact CD1-CB 4.15Å; I189-L272 HydrophobicContact CD1-CD2 4.28Å; I189-L272 HydrophobicContact CG1-CB 3.77Å; I189-L272 PolarHBondContact N-O 3.25Å; I189-L272 PolarHBondContact O-N 2.93Å; L253-L272 HydrophobicContact CB-CD2 4.37Å; L253-L272 HydrophobicContact CD1-CD2 3.97Å; L253-L272 HydrophobicContact CD1-CG 4.44Å; L253-L272 HydrophobicContact CD2-CD2 3.85Å; L253-L272 HydrophobicContact CG-CD2 4.28Å; L272-F281 HydrophobicContact CD1-CB 4.22Å; L272-P282 WeakPolarHBondContact CA-O 3.37Å
273G94.8Very high95.5Very high2 Ų263.5 Ų63.52%0.02135%0.352CS..EExtended strand (participates in β ladder)trans-87.2163.2172.300000111.8G187 F281 P282G187-G273 CarbonylContact O-C 3.52Å; G273-F281 WeakPolarHBondContact O-CA 3.45Å; G273-P282 PolarHBondContact N-O 2.74Å
274Y95.9Very high95.1Very high28 Ų2869 Ų6911%0.1137%0.373CS..EExtended strand (participates in β ladder)trans-138.7121.7170.1170.5-131.5000108.4S186 G187 T246 V249 I250 S276 F281S186-Y274 CarbonylContact C-O 3.56Å; S186-Y274 WeakPolarHBondContact CA-O 3.33Å; S186-Y274 WeakPolarHBondContact CB-O 3.37Å; G187-Y274 PolarHBondContact N-O 2.82Å; G187-Y274 PolarHBondContact O-N 3.06Å; T246-Y274 HydrophobicContact CG2-CD1 4.2Å; T246-Y274 HydrophobicContact CG2-CE1 4.08Å; V249-Y274 HydrophobicContact CB-CD1 4.22Å; V249-Y274 HydrophobicContact CB-CE1 3.98Å; V249-Y274 HydrophobicContact CG1-CD1 3.71Å; V249-Y274 HydrophobicContact CG1-CD2 4.35Å; V249-Y274 HydrophobicContact CG1-CE1 3.8Å; V249-Y274 HydrophobicContact CG1-CE2 4.44Å; V249-Y274 HydrophobicContact CG1-CG 3.99Å; V249-Y274 HydrophobicContact CG2-CE1 4.22Å; I250-Y274 HydrophobicContact CD1-CD1 4.21Å; Y274-S276 VanDerWaalsContact CZ-CB 3.41Å; Y274-S276 WeakPolarHBondContact OH-CB 3.19Å; Y274-F281 AromaticContact CD2-CD1 3.95Å; Y274-F281 HydrophobicContact CD2-CD1 3.95Å; Y274-F281 AromaticContact CD2-CE1 3.26Å; Y274-F281 HydrophobicContact CD2-CE1 3.26Å; Y274-F281 HydrophobicContact CD2-CE2 4.1Å; Y274-F281 AromaticContact CD2-CZ 3.35Å; Y274-F281 HydrophobicContact CD2-CZ 3.35Å; Y274-F281 AromaticContact CE2-CE1 3.9Å; Y274-F281 HydrophobicContact CE2-CE1 3.9Å; Y274-F281 HydrophobicContact CE2-CE2 4.23Å; Y274-F281 AromaticContact CE2-CZ 3.52Å; Y274-F281 HydrophobicContact CE2-CZ 3.52Å; Y274-F281 HydrophobicContact CG-CD1 4.5Å; Y274-F281 AromaticContact CG-CE1 3.92Å; Y274-F281 HydrophobicContact CG-CE1 3.92Å; Y274-F281 HydrophobicContact CG-CZ 4.39Å
275N95.1Very high94.7Very high44 Ų4470.2 Ų70.224%0.23537%0.366CS..EExtended strand (participates in β ladder)trans-112.8113.9167.1173.73.5000107.8L277 D278 D279 Y280N275-L277 VanDerWaalsContact C-N 3.3Å; N275-L277 PolarHBondContact O-N 3.23Å; N275-L277 WeakPolarHBondContact OD1-CB 3.45Å; N275-L277 PolarHBondContact OD1-N 3.02Å; N275-D278 PolarHBondContact ND2-OD2 3.2Å; N275-D279 WeakPolarHBondContact O-CA 3.44Å; N275-D279 PolarHBondContact O-N 2.9Å; N275-Y280 PolarHBondContact N-O 3.31Å; N275-Y280 PolarHBondContact O-N 2.87Å; N275-Y280 VanDerWaalsContact O-N 3.09Å
276S93.6Very high94.4Very high32 Ų3271 Ų7122%0.22437%0.372CS..THydrogen-bonded Turntrans-79.9-9.1-176.377.80000114V185 Y274V185-S276 WeakPolarHBondContact CA-OG 3.46Å; V185-S276 WeakPolarHBondContact CB-OG 3.46Å; V185-S276 WeakPolarHBondContact O-CB 3.12Å; V185-S276 PolarHBondContact O-N 2.79Å; V185-S276 PolarHBondContact O-OG 2.75Å; Y274-S276 VanDerWaalsContact CZ-CB 3.41Å; Y274-S276 WeakPolarHBondContact OH-CB 3.19Å
277L93.7Very high94.1Very high124 Ų12475.6 Ų75.665%0.64937%0.371SS*.THydrogen-bonded Turntrans-79.4-34.3178.7-64178.2000111.7V185 N275V185-L277 HydrophobicContact CB-CD2 4.2Å; V185-L277 HydrophobicContact CB-CG 4.07Å; V185-L277 HydrophobicContact CG1-CD2 4.05Å; V185-L277 HydrophobicContact CG1-CG 4.47Å; V185-L277 HydrophobicContact CG2-CD1 4.18Å; V185-L277 HydrophobicContact CG2-CG 4.25Å; N275-L277 VanDerWaalsContact C-N 3.3Å; N275-L277 PolarHBondContact O-N 3.23Å; N275-L277 WeakPolarHBondContact OD1-CB 3.45Å; N275-L277 PolarHBondContact OD1-N 3.02Å
278D95.2Very high93.7Very high120 Ų12068.2 Ų68.264%0.64234%0.341SS*.THydrogen-bonded Turntrans-119.610.2-175-51.8-60.3000112.8N275 Y280N275-D278 PolarHBondContact ND2-OD2 3.2Å; D278-Y280 PolarHBondContact O-N 3.43Å; D278-Y280 VanDerWaalsContact O-N 3.13Å
279D95.9Very high93.2Very high118 Ų11867.9 Ų67.963%0.63134%0.339SS*.THydrogen-bonded Turntrans47.239.9-172.8-67.6-33.4000113.5N275 F281N275-D279 WeakPolarHBondContact O-CA 3.44Å; N275-D279 PolarHBondContact O-N 2.9Å; D279-F281 VanDerWaalsContact O-CD2 3.31Å; D279-F281 WeakPolarHBondContact O-CD2 3.3Å; D279-F281 WeakPolarHBondContact O-CE2 3.14Å
280Y95.8Very high92.8Very high127 Ų12773.8 Ų73.850%0.49836%0.364SS..BIsolated β-bridgetrans-100.4128.3-171.9-179.1-121.5000112N275 D278 P282N275-Y280 PolarHBondContact N-O 3.31Å; N275-Y280 PolarHBondContact O-N 2.87Å; N275-Y280 VanDerWaalsContact O-N 3.09Å; D278-Y280 PolarHBondContact O-N 3.43Å; D278-Y280 VanDerWaalsContact O-N 3.13Å; Y280-P282 HydrophobicContact CD1-CB 4.37Å; Y280-P282 HydrophobicContact CD1-CG 4.03Å; Y280-P282 HydrophobicContact CE1-CB 3.59Å; Y280-P282 HydrophobicContact CE1-CG 3.69Å; Y280-P282 WeakPolarHBondContact O-CD 3.38Å
281F96.8Very high92.4Very high91 Ų9174.3 Ų74.340%0.39937%0.374SS..  trans-121.375.8-176-64.7-94000111.9V249 L253 L272 G273 Y274 D279V249-F281 HydrophobicContact CG1-CE1 4.32Å; L253-F281 HydrophobicContact CD1-CD1 4.26Å; L253-F281 HydrophobicContact CD1-CE1 4.13Å; L272-F281 HydrophobicContact CD1-CB 4.22Å; G273-F281 WeakPolarHBondContact O-CA 3.45Å; Y274-F281 AromaticContact CD2-CD1 3.95Å; Y274-F281 HydrophobicContact CD2-CD1 3.95Å; Y274-F281 AromaticContact CD2-CE1 3.26Å; Y274-F281 HydrophobicContact CD2-CE1 3.26Å; Y274-F281 HydrophobicContact CD2-CE2 4.1Å; Y274-F281 AromaticContact CD2-CZ 3.35Å; Y274-F281 HydrophobicContact CD2-CZ 3.35Å; Y274-F281 AromaticContact CE2-CE1 3.9Å; Y274-F281 HydrophobicContact CE2-CE1 3.9Å; Y274-F281 HydrophobicContact CE2-CE2 4.23Å; Y274-F281 AromaticContact CE2-CZ 3.52Å; Y274-F281 HydrophobicContact CE2-CZ 3.52Å; Y274-F281 HydrophobicContact CG-CD1 4.5Å; Y274-F281 AromaticContact CG-CE1 3.92Å; Y274-F281 HydrophobicContact CG-CE1 3.92Å; Y274-F281 HydrophobicContact CG-CZ 4.39Å; D279-F281 VanDerWaalsContact O-CD2 3.31Å; D279-F281 WeakPolarHBondContact O-CD2 3.3Å; D279-F281 WeakPolarHBondContact O-CE2 3.14Å
282P94Very high91.9Very high19 Ų1971.9 Ų71.912%0.12337%0.365CS..  trans-69.1139.5-179.626.6-32.2000111.6L272 G273 Y280 Y284L272-P282 WeakPolarHBondContact CA-O 3.37Å; G273-P282 PolarHBondContact N-O 2.74Å; Y280-P282 HydrophobicContact CD1-CB 4.37Å; Y280-P282 HydrophobicContact CD1-CG 4.03Å; Y280-P282 HydrophobicContact CE1-CB 3.59Å; Y280-P282 HydrophobicContact CE1-CG 3.69Å; Y280-P282 WeakPolarHBondContact O-CD 3.38Å; P282-Y284 HydrophobicContact CB-CD2 4.5Å; P282-Y284 HydrophobicContact CB-CE2 3.59Å; P282-Y284 WeakPolarHBondContact CB-OH 3.42Å; P282-Y284 HydrophobicContact CG-CE2 4.42Å
283S93.7Very high91.3Very high70 Ų7073.9 Ų73.949%0.4938%0.376SS..EExtended strand (participates in β ladder)trans-127.8129.7178.3-1790000110.7Y271Y271-S283 WeakPolarHBondContact O-CA 3.33Å; Y271-S283 PolarHBondContact O-OG 3.43Å
284Y88.3Confident90.9Very high122 Ų12275 Ų7548%0.47838%0.381SS..EExtended strand (participates in β ladder)trans-139.1166.1-177.2-52.6-67.4000111.4Y271 P282Y271-Y284 WeakPolarHBondContact CB-O 3.31Å; Y271-Y284 AromaticContact CD1-CD2 3.69Å; Y271-Y284 HydrophobicContact CD1-CD2 3.69Å; Y271-Y284 HydrophobicContact CD1-CE2 4.5Å; Y271-Y284 AromaticContact CE1-CD2 3.97Å; Y271-Y284 HydrophobicContact CE1-CD2 3.97Å; Y271-Y284 HydrophobicContact CE1-CE2 4.4Å; Y271-Y284 PolarHBondContact N-O 2.9Å; Y271-Y284 PolarHBondContact O-N 2.9Å; P282-Y284 HydrophobicContact CB-CD2 4.5Å; P282-Y284 HydrophobicContact CB-CE2 3.59Å; P282-Y284 WeakPolarHBondContact CB-OH 3.42Å; P282-Y284 HydrophobicContact CG-CE2 4.42Å
285V90Very high90.7Very high95 Ų9578.6 Ų78.658%0.57640%0.399SS*.  trans-117111167.8-174.60000108Y270Y270-V285 HydrophobicContact CD2-CB 4.46Å; Y270-V285 HydrophobicContact CD2-CG1 4.02Å; Y270-V285 HydrophobicContact CD2-CG2 3.77Å; Y270-V285 HydrophobicContact CG-CG1 4.18Å; Y270-V285 HydrophobicContact CG-CG2 4.4Å
286L88.6Confident90.7Very high49 Ų4977.8 Ų77.826%0.25739%0.394SS..PPolyproline II helixtrans-88116.3177.7-59176.2000108.9T197 A198 A219 Y271T197-L286 WeakPolarHBondContact CA-O 3.2Å; A198-L286 HydrophobicContact CB-CB 3.56Å; A198-L286 PolarHBondContact N-O 2.82Å; A219-L286 HydrophobicContact CB-CD1 4.36Å; Y271-L286 HydrophobicContact CD2-CD1 4.05Å
287K89.6Confident90.6Very high169 Ų16976.2 Ų76.274%0.73538%0.383SS*.PPolyproline II helixtrans-83.8151.5179.2-70.7-176.6179176.80111.4A198A198-K287 WeakPolarHBondContact CB-O 3.39Å
288P88.8Confident90.6Very high26 Ų2674.8 Ų74.817%0.16937%0.369CS..PPolyproline II helixtrans-58.7143175.9-16.326000112.2G195 E196 Q301G195-P288 WeakPolarHBondContact O-CG 3.36Å; E196-P288 WeakPolarHBondContact O-CD 3.2Å; E196-P288 WeakPolarHBondContact O-CG 3.37Å; P288-Q301 VanDerWaalsContact CB-CD 3.43Å; P288-Q301 HydrophobicContact CB-CG 3.75Å; P288-Q301 HydrophobicContact CG-CG 4.19Å
289N86.8Confident90.6Very high27 Ų2773.8 Ų73.814%0.14436%0.356CS..PPolyproline II helixtrans-75.1122.9163.8178.117.8000109.4L216 C218 T291 C292 Q301L216-N289 PolarHBondContact O-ND2 2.97Å; L216-N289 PolarHBondContact O-OD1 2.89Å; C218-N289 HydrophobicContact CB-CB 4.24Å; C218-N289 WeakPolarHBondContact SG-CB 3.34Å; C218-N289 PolarHBondContact SG-N 3.11Å; N289-T291 PolarHBondContact ND2-OG1 3.09Å; N289-T291 PolarHBondContact O-N 3.37Å; N289-T291 PolarHBondContact OD1-N 2.81Å; N289-T291 PolarHBondContact OD1-OG1 3.03Å; N289-C292 HydrophobicContact CB-CB 4.42Å; N289-C292 PolarHBondContact ND2-N 2.97Å; N289-C292 WeakPolarHBondContact O-CB 3.21Å; N289-C292 PolarHBondContact O-N 2.85Å; N289-C292 VanDerWaalsContact O-N 3.08Å; N289-Q301 PolarHBondContact O-NE2 3.06Å; N289-Q301 PolarHBondContact O-OE1 3.26Å
290Q87Confident90.6Very high145 Ų14569.5 Ų69.568%0.67833%0.331SS*.THydrogen-bonded Turntrans-61.6-25.2179.1-59.2-174.59.900112.8
291T87.1Confident90.5Very high79 Ų7964 Ų6449%0.48531%0.31SS..THydrogen-bonded Turntrans-111.132.2177.568.10000111.9I215 N289 D293I215-T291 WeakPolarHBondContact CG2-OG1 3.4Å; N289-T291 PolarHBondContact ND2-OG1 3.09Å; N289-T291 PolarHBondContact O-N 3.37Å; N289-T291 PolarHBondContact OD1-N 2.81Å; N289-T291 PolarHBondContact OD1-OG1 3.03Å; T291-D293 PolarHBondContact O-N 3.48Å
292C84.9Confident90.4Very high4 Ų465.5 Ų65.53%0.02732%0.318CS..  trans-53.8136.4176-178.10000110.7N289 D294 C297 R298N289-C292 HydrophobicContact CB-CB 4.42Å; N289-C292 PolarHBondContact ND2-N 2.97Å; N289-C292 WeakPolarHBondContact O-CB 3.21Å; N289-C292 PolarHBondContact O-N 2.85Å; N289-C292 VanDerWaalsContact O-N 3.08Å; C292-D294 VanDerWaalsContact C-N 3.31Å; C292-D294 PolarHBondContact O-N 3.2Å; C292-C297 HydrophobicContact CB-CB 4.21Å; C292-R298 HydrophobicContact CB-CG 4.39Å; C292-R298 VanDerWaalsContact O-CD 3.25Å; C292-R298 WeakPolarHBondContact O-CD 3.42Å; C292-R298 VanDerWaalsContact O-CG 3.28Å; C292-R298 WeakPolarHBondContact O-CG 3.25Å; C292-R298 PolarHBondContact O-NH1 2.79Å
293D81.4Confident90.4Very high61 Ų6167.3 Ų67.333%0.32633%0.325SS..SBendtrans-66.7-31.4-177.6-64.1-58.7000113.2L202 A203 T291 H295 R298L202-D293 WeakPolarHBondContact O-CB 3.3Å; A203-D293 WeakPolarHBondContact CA-OD2 3.45Å; A203-D293 WeakPolarHBondContact CB-OD2 3.36Å; A203-D293 PolarHBondContact N-OD2 2.83Å; T291-D293 PolarHBondContact O-N 3.48Å; D293-H295 PolarHBondContact O-N 3.23Å; D293-H295 VanDerWaalsContact O-N 3.15Å; D293-R298 PolarHBondContact O-NH1 2.9Å
294D87.6Confident90.4Very high25 Ų2567.2 Ų67.213%0.13431%0.314CS..  trans-66.7111.6175.1-174.1-23.2000110.3N169 A201 C292 H296 C297 R298N169-D294 PolarHBondContact ND2-OD2 2.79Å; A201-D294 HydrophobicContact CB-CB 3.71Å; C292-D294 VanDerWaalsContact C-N 3.31Å; C292-D294 PolarHBondContact O-N 3.2Å; D294-H296 VanDerWaalsContact C-N 3.25Å; D294-H296 PolarHBondContact O-N 2.94Å; D294-H296 WeakPolarHBondContact OD1-CA 3.39Å; D294-H296 WeakPolarHBondContact OD1-CB 3.47Å; D294-H296 PolarHBondContact OD1-N 3.23Å; D294-C297 HydrophobicContact CB-CB 3.92Å; D294-C297 WeakPolarHBondContact O-CB 3.31Å; D294-C297 PolarHBondContact O-N 3.47Å; D294-C297 VanDerWaalsContact O-N 3.09Å; D294-C297 PolarHBondContact OD1-N 2.82Å; D294-R298 PolarHBondContact O-N 3.47Å
295H91.8Very high90.5Very high103 Ų10366.4 Ų66.448%0.47731%0.313SS..Hα-helixtrans-63-32-178.485.5-78.8000112.6D293 R298 R299D293-H295 PolarHBondContact O-N 3.23Å; D293-H295 VanDerWaalsContact O-N 3.15Å; H295-R298 PolarHBondContact O-N 3.11Å; H295-R299 PolarHBondContact O-N 3.22Å
296H93.9Very high90.6Very high27 Ų2766.7 Ų66.713%0.12532%0.315CS..Hα-helixtrans-67.2-41.1174.8-67.1-55.4000110N169 E170 D294 R298 R299 R300N169-H296 HydrophobicContact CB-CB 3.85Å; E170-H296 IonicContact OE2-NE2 3.61Å; D294-H296 VanDerWaalsContact C-N 3.25Å; D294-H296 PolarHBondContact O-N 2.94Å; D294-H296 WeakPolarHBondContact OD1-CA 3.39Å; D294-H296 WeakPolarHBondContact OD1-CB 3.47Å; D294-H296 PolarHBondContact OD1-N 3.23Å; H296-R298 PolarHBondContact O-N 2.86Å; H296-R299 PolarHBondContact O-N 2.69Å; H296-R300 VanDerWaalsContact O-CG 3.28Å; H296-R300 WeakPolarHBondContact O-CG 3.2Å; H296-R300 PolarHBondContact O-N 2.93Å
297C92.7Very high90.7Very high0 Ų069.1 Ų69.10%033%0.326CS..Hα-helixtrans-56.8-48175.1-177.10000111.6C199 C292 D294 R299 R300 Q301C199-C297 PolarHBondContact SG-SG 2.85Å; C292-C297 HydrophobicContact CB-CB 4.21Å; D294-C297 HydrophobicContact CB-CB 3.92Å; D294-C297 WeakPolarHBondContact O-CB 3.31Å; D294-C297 PolarHBondContact O-N 3.47Å; D294-C297 VanDerWaalsContact O-N 3.09Å; D294-C297 PolarHBondContact OD1-N 2.82Å; C297-R299 PolarHBondContact O-N 3.41Å; C297-R300 PolarHBondContact O-N 3.09Å; C297-Q301 VanDerWaalsContact O-CG 3.32Å; C297-Q301 WeakPolarHBondContact O-CG 3.34Å; C297-Q301 PolarHBondContact O-N 3.49Å; C297-Q301 PolarHBondContact SG-NE2 2.91Å
298R93Very high90.5Very high94 Ų9469.1 Ų69.136%0.35532%0.321SS..Hα-helixtrans-60.7-43.9177.5-63.5-167.6-57.6-89.90.4111.9C292 D293 D294 H295 H296 R300 Q301 E302C292-R298 HydrophobicContact CB-CG 4.39Å; C292-R298 VanDerWaalsContact O-CD 3.25Å; C292-R298 WeakPolarHBondContact O-CD 3.42Å; C292-R298 VanDerWaalsContact O-CG 3.28Å; C292-R298 WeakPolarHBondContact O-CG 3.25Å; C292-R298 PolarHBondContact O-NH1 2.79Å; D293-R298 PolarHBondContact O-NH1 2.9Å; D294-R298 PolarHBondContact O-N 3.47Å; H295-R298 PolarHBondContact O-N 3.11Å; H296-R298 PolarHBondContact O-N 2.86Å; R298-R300 PolarHBondContact O-N 2.83Å; R298-Q301 WeakPolarHBondContact O-CB 3.35Å; R298-Q301 PolarHBondContact O-N 3.27Å; R298-Q301 VanDerWaalsContact O-N 3.17Å; R298-E302 PolarHBondContact O-N 3.34Å; R298-E302 VanDerWaalsContact O-N 3.12Å
299R95.1Very high90.3Very high99 Ų9973.8 Ų73.837%0.37435%0.349SS..Hα-helixtrans-58.4-46.1175.1-168.7-176.471-167.2-5.9111.9H295 H296 C297 Q301 E302 E303H295-R299 PolarHBondContact O-N 3.22Å; H296-R299 PolarHBondContact O-N 2.69Å; C297-R299 PolarHBondContact O-N 3.41Å; R299-Q301 VanDerWaalsContact C-N 3.3Å; R299-Q301 PolarHBondContact O-N 3.19Å; R299-E302 WeakPolarHBondContact O-CB 3.37Å; R299-E302 PolarHBondContact O-N 2.93Å; R299-E302 VanDerWaalsContact O-N 3.17Å; R299-E303 WeakPolarHBondContact CG-OE1 3.46Å; R299-E303 IonicContact NE-OE1 3.36Å; R299-E303 PolarHBondContact NE-OE1 3.26Å; R299-E303 WeakPolarHBondContact O-CG 3.37Å; R299-E303 PolarHBondContact O-N 2.94Å
300R95.5Very high90Very high27 Ų2777 Ų7710%0.10237%0.373CS..Hα-helixtrans-62.4-35.5176.6-61.8-44.4179.2168.41112.6N169 E170 H172 P194 G195 H296 C297 R298 E302 E303 Y304N169-R300 PolarHBondContact O-NE 2.6Å; E170-R300 PolarHBondContact O-NH2 3.47Å; H172-R300 VanDerWaalsContact N-NH2 3.2Å; P194-R300 HydrophobicContact CB-CB 4.23Å; P194-R300 HydrophobicContact CB-CG 3.89Å; G195-R300 VanDerWaalsContact CA-C 3.47Å; H296-R300 VanDerWaalsContact O-CG 3.28Å; H296-R300 WeakPolarHBondContact O-CG 3.2Å; H296-R300 PolarHBondContact O-N 2.93Å; C297-R300 PolarHBondContact O-N 3.09Å; R298-R300 PolarHBondContact O-N 2.83Å; R300-E302 VanDerWaalsContact C-N 3.34Å; R300-E303 WeakPolarHBondContact CD-OE2 3.27Å; R300-E303 IonicContact CZ-OE2 2.94Å; R300-E303 IonicContact NE-OE2 2.72Å; R300-E303 IonicContact NH1-OE1 3.87Å; R300-E303 IonicContact NH1-OE2 3.65Å; R300-E303 PolarHBondContact NH1-OE2 3.48Å; R300-E303 PolarHBondContact O-N 2.8Å; R300-Y304 WeakPolarHBondContact O-CB 3.3Å; R300-Y304 PolarHBondContact O-N 2.88Å
301Q94Very high89.6Confident11 Ų1175.6 Ų75.65%0.05137%0.37CS..Hα-helixtrans-65.3-37.5175.4-68.9174.852.400112.2P288 N289 C297 R298 R299 K305P288-Q301 VanDerWaalsContact CB-CD 3.43Å; P288-Q301 HydrophobicContact CB-CG 3.75Å; P288-Q301 HydrophobicContact CG-CG 4.19Å; N289-Q301 PolarHBondContact O-NE2 3.06Å; N289-Q301 PolarHBondContact O-OE1 3.26Å; C297-Q301 VanDerWaalsContact O-CG 3.32Å; C297-Q301 WeakPolarHBondContact O-CG 3.34Å; C297-Q301 PolarHBondContact O-N 3.49Å; C297-Q301 PolarHBondContact SG-NE2 2.91Å; R298-Q301 WeakPolarHBondContact O-CB 3.35Å; R298-Q301 PolarHBondContact O-N 3.27Å; R298-Q301 VanDerWaalsContact O-N 3.17Å; R299-Q301 VanDerWaalsContact C-N 3.3Å; R299-Q301 PolarHBondContact O-N 3.19Å; Q301-K305 WeakPolarHBondContact O-CB 3.37Å; Q301-K305 VanDerWaalsContact O-CG 3.26Å; Q301-K305 WeakPolarHBondContact O-CG 3.32Å; Q301-K305 PolarHBondContact O-N 2.85Å
302E94.4Very high88.8Confident123 Ų12377.2 Ų77.258%0.57538%0.382SS*.Hα-helixtrans-68.4-43.6175.3-69.3170.7-170.700111.7R298 R299 R300 K305 T306R298-E302 PolarHBondContact O-N 3.34Å; R298-E302 VanDerWaalsContact O-N 3.12Å; R299-E302 WeakPolarHBondContact O-CB 3.37Å; R299-E302 PolarHBondContact O-N 2.93Å; R299-E302 VanDerWaalsContact O-N 3.17Å; R300-E302 VanDerWaalsContact C-N 3.34Å; E302-K305 PolarHBondContact O-N 3.29Å; E302-T306 PolarHBondContact O-N 3.2Å; E302-T306 PolarHBondContact O-OG1 3.49Å
303E94.7Very high87.6Confident57 Ų5781.5 Ų81.527%0.26642%0.418SS..Hα-helixtrans-55.9-52.8172.9-69.7166.9-16600110.4R299 R300 K305 T306 E307R299-E303 WeakPolarHBondContact CG-OE1 3.46Å; R299-E303 IonicContact NE-OE1 3.36Å; R299-E303 PolarHBondContact NE-OE1 3.26Å; R299-E303 WeakPolarHBondContact O-CG 3.37Å; R299-E303 PolarHBondContact O-N 2.94Å; R300-E303 WeakPolarHBondContact CD-OE2 3.27Å; R300-E303 IonicContact CZ-OE2 2.94Å; R300-E303 IonicContact NE-OE2 2.72Å; R300-E303 IonicContact NH1-OE1 3.87Å; R300-E303 IonicContact NH1-OE2 3.65Å; R300-E303 PolarHBondContact NH1-OE2 3.48Å; R300-E303 PolarHBondContact O-N 2.8Å; E303-K305 PolarHBondContact O-N 2.72Å; E303-T306 WeakPolarHBondContact O-CB 3.47Å; E303-T306 PolarHBondContact O-N 3.13Å; E303-T306 VanDerWaalsContact O-N 3.11Å; E303-E307 WeakPolarHBondContact O-CG 3.36Å; E303-E307 PolarHBondContact O-N 3.05Å
304Y93Very high86.5Confident68 Ų6882.7 Ų82.727%0.26744%0.436SS..Hα-helixtrans-59.3-42.6178.8177.5-102.5000113.2E196 R300 T306 E307 R308E196-Y304 HydrophobicContact CB-CD2 3.87Å; E196-Y304 HydrophobicContact CB-CE1 4.38Å; E196-Y304 HydrophobicContact CB-CE2 3.66Å; E196-Y304 HydrophobicContact CB-CG 4.29Å; E196-Y304 HydrophobicContact CG-CD2 4.39Å; E196-Y304 HydrophobicContact CG-CE1 4.31Å; E196-Y304 HydrophobicContact CG-CE2 3.67Å; E196-Y304 PolarHBondContact OE1-OH 3.14Å; E196-Y304 VanDerWaalsContact OE1-OH 3.12Å; R300-Y304 WeakPolarHBondContact O-CB 3.3Å; R300-Y304 PolarHBondContact O-N 2.88Å; Y304-T306 VanDerWaalsContact C-N 3.29Å; Y304-T306 PolarHBondContact O-N 3.39Å; Y304-E307 PolarHBondContact O-N 3.12Å; Y304-R308 VanDerWaalsContact O-CB 3.29Å; Y304-R308 WeakPolarHBondContact O-CB 3.47Å; Y304-R308 PolarHBondContact O-N 2.91Å
305K91.7Very high84.5Confident106 Ų10687.9 Ų87.946%0.46147%0.468SS..Hα-helixtrans-61.6-39.7176.7-77.7171.8-176.5175.40111.7Q301 E302 E303 T309Q301-K305 WeakPolarHBondContact O-CB 3.37Å; Q301-K305 VanDerWaalsContact O-CG 3.26Å; Q301-K305 WeakPolarHBondContact O-CG 3.32Å; Q301-K305 PolarHBondContact O-N 2.85Å; E302-K305 PolarHBondContact O-N 3.29Å; E303-K305 PolarHBondContact O-N 2.72Å; K305-T309 WeakPolarHBondContact O-CB 3.4Å; K305-T309 PolarHBondContact O-N 3.45Å; K305-T309 VanDerWaalsContact O-N 3.14Å; K305-T309 PolarHBondContact O-OG1 2.6Å
306T91.9Very high82.2Confident101 Ų10192.6 Ų92.662%0.6249%0.487SS*.Hα-helixtrans-66.9-48.9178.8-550000110.4E302 E303 Y304 R308 T309 S310E302-T306 PolarHBondContact O-N 3.2Å; E302-T306 PolarHBondContact O-OG1 3.49Å; E303-T306 WeakPolarHBondContact O-CB 3.47Å; E303-T306 PolarHBondContact O-N 3.13Å; E303-T306 VanDerWaalsContact O-N 3.11Å; Y304-T306 VanDerWaalsContact C-N 3.29Å; Y304-T306 PolarHBondContact O-N 3.39Å; T306-R308 PolarHBondContact O-N 3.38Å; T306-T309 PolarHBondContact O-N 3.06Å; T306-S310 PolarHBondContact O-N 3.38Å
307E89.2Confident79.8Confident100 Ų10095.7 Ų95.747%0.46751%0.512SS..Hα-helixtrans-58.5-47.4176.7-70.9175.4-177.900111.6E303 Y304 T309 S310 L311E303-E307 WeakPolarHBondContact O-CG 3.36Å; E303-E307 PolarHBondContact O-N 3.05Å; Y304-E307 PolarHBondContact O-N 3.12Å; E307-T309 VanDerWaalsContact C-N 3.27Å; E307-T309 PolarHBondContact O-N 2.6Å; E307-S310 PolarHBondContact O-N 2.85Å; E307-S310 PolarHBondContact O-OG 2.67Å; E307-L311 PolarHBondContact O-N 3.46Å
308R85.9Confident77.9Confident169 Ų169104.3 Ų104.364%0.63855%0.552SS**Hα-helixtrans-64.9-30.3-178.9-155.8-176.388.61105113.4Y304 T306 S310Y304-R308 VanDerWaalsContact O-CB 3.29Å; Y304-R308 WeakPolarHBondContact O-CB 3.47Å; Y304-R308 PolarHBondContact O-N 2.91Å; T306-R308 PolarHBondContact O-N 3.38Å; R308-S310 VanDerWaalsContact C-N 3.33Å
309T84.3Confident75.7Confident123 Ų123105.5 Ų105.576%0.75557%0.572SS**Hα-helixtrans-76.2-26.1176.9-530000111.5K305 T306 E307K305-T309 WeakPolarHBondContact O-CB 3.4Å; K305-T309 PolarHBondContact O-N 3.45Å; K305-T309 VanDerWaalsContact O-N 3.14Å; K305-T309 PolarHBondContact O-OG1 2.6Å; T306-T309 PolarHBondContact O-N 3.06Å; E307-T309 VanDerWaalsContact C-N 3.27Å; E307-T309 PolarHBondContact O-N 2.6Å
310S81.7Confident73.8Confident94 Ų94109.5 Ų109.566%0.65760%0.595SS**Hα-helixtrans-80.2-20.5177.374.40000114.1T306 E307 R308T306-S310 PolarHBondContact O-N 3.38Å; E307-S310 PolarHBondContact O-N 2.85Å; E307-S310 PolarHBondContact O-OG 2.67Å; R308-S310 VanDerWaalsContact C-N 3.33Å
311L78.4Confident72.1Confident116 Ų116117 Ų11761%0.60763%0.632SS**SBendtrans-76.6134.8179.8-73.3166.4000111E307 A313E307-L311 PolarHBondContact O-N 3.46Å; L311-A313 PolarHBondContact O-N 3.3Å
312P70.2Confident70.8Confident114 Ų114122.5 Ų122.574%0.7467%0.665SS**PPolyproline II helixtrans-58.3140.9172.317.5-22.2000109.8A314P312-A314 PolarHBondContact O-N 3.46Å
313A60.2Low69.8Low94 Ų94122.6 Ų122.678%0.77767%0.674SS**PPolyproline II helixtrans-52.1118.4176.900000109L311 V315L311-A313 PolarHBondContact O-N 3.3Å; A313-V315 PolarHBondContact O-N 2.95Å
314A56.7Low68.8Low86 Ų86125.7 Ų125.771%0.71170%0.696SS**  trans-58.5111-176.100000109.6P312 K316P312-A314 PolarHBondContact O-N 3.46Å; A314-K316 VanDerWaalsContact C-N 3.3Å; A314-K316 PolarHBondContact O-N 3.49Å
315V45.5Very low67.7Low134 Ų134127 Ų12781%0.81271%0.705SS**  trans-69.993.7168.3-178.60000106.3A313 S317A313-V315 PolarHBondContact O-N 2.95Å; V315-S317 PolarHBondContact O-N 3.12Å; V315-S317 VanDerWaalsContact O-N 3.16Å
316K44.4Very low66.9Low201 Ų201134 Ų13487%0.87473%0.728SS**  trans-80.290.8170.2-78.9-173.2174.7-174.90108.6A314A314-K316 VanDerWaalsContact C-N 3.3Å; A314-K316 PolarHBondContact O-N 3.49Å
317S44.1Very low66.4Low92 Ų92135.3 Ų135.364%0.64373%0.732SS**  trans-131.987.4154.461.20000106.5V315V315-S317 PolarHBondContact O-N 3.12Å; V315-S317 VanDerWaalsContact O-N 3.16Å
318E51.6Low66.2Low182 Ų182133.2 Ų133.285%0.8572%0.724SS**PPolyproline II helixtrans-67.5128.2157.4-74.2-174170.100105.9E320E318-E320 PolarHBondContact O-N 3.39Å
319P47.6Very low66.1Low118 Ų118129.8 Ų129.877%0.76672%0.723SS**PPolyproline II helixtrans-59.1124.9173.124-30.2000107.6E321P319-E321 PolarHBondContact O-N 3.09Å
320E54.9Low66.2Low184 Ų184134.3 Ų134.386%0.8673%0.727SS**PPolyproline II helixtrans-55.6117.4169.5-76.6-177.6163.800107.7E318 V322E318-E320 PolarHBondContact O-N 3.39Å; E320-V322 PolarHBondContact O-N 3.46Å
321E59.8Low66.2Low185 Ų185132.1 Ų132.186%0.86472%0.719SS**  trans-64.9101.6171.8-80.5-172.2165.400107.7P319 V323P319-E321 PolarHBondContact O-N 3.09Å; E321-V323 PolarHBondContact O-N 2.89Å
322V66Low66.5Low125 Ų125131.7 Ų131.776%0.75872%0.717SS**  trans-61113.9172.4-179.40000107.7E320 V324E320-V322 PolarHBondContact O-N 3.46Å; V322-V324 PolarHBondContact O-N 3.26Å
323V73.5Confident67.2Low125 Ų125134.1 Ų134.176%0.75872%0.718SS**  trans-67.1105.4179.6179.60000109E321 Q325E321-V323 PolarHBondContact O-N 2.89Å; V323-Q325 PolarHBondContact O-N 3.17Å
324V74.2Confident68.2Low122 Ų122135.9 Ų135.974%0.73972%0.719SS**  trans-81.8107.4174.2-176.70000109.2V322 R326V322-V324 PolarHBondContact O-N 3.26Å; V324-R326 PolarHBondContact O-N 3.31Å
325Q69.9Low69.3Low96 Ų96135.7 Ų135.745%0.44971%0.709SS.*  trans-72.6121.5171.5-64.9-175.3-1.700109.7V323 N328V323-Q325 PolarHBondContact O-N 3.17Å; Q325-N328 PolarHBondContact OE1-ND2 2.97Å
326R74.9Confident70.7Confident252 Ų252132.5 Ų132.595%0.95170%0.696SS**SBendtrans-77.9-25.1-179.3-69.1-175.8-176.8172.91.8113.6V324V324-R326 PolarHBondContact O-N 3.31Å
327D81.5Confident71.5Confident130 Ų130131.4 Ų131.470%0.69570%0.7SS**  trans-143.3119.4179.8-165.711.3000107.9P329D327-P329 WeakPolarHBondContact OD1-CD 3.36Å
328N84.4Confident72Confident56 Ų56131.3 Ų131.330%0.29971%0.705SS.*  trans-143.264.6178-174.411.8000109.3Q325 W330 G331 I332Q325-N328 PolarHBondContact OE1-ND2 2.97Å; N328-W330 PolarHBondContact O-N 3.37Å; N328-G331 PolarHBondContact O-N 3.5Å; N328-G331 PolarHBondContact OD1-N 3.25Å; N328-I332 PolarHBondContact ND2-N 3.21Å; N328-I332 PolarHBondContact ND2-O 3.48Å; N328-I332 WeakPolarHBondContact OD1-CB 3.45Å; N328-I332 PolarHBondContact OD1-N 3.44Å
329P84.6Confident71.6Confident96 Ų96127.8 Ų127.862%0.62370%0.696SS**THydrogen-bonded Turntrans-70.6-15.5-173.429.6-31.9000112.3D327D327-P329 WeakPolarHBondContact OD1-CD 3.36Å
330W86.6Confident71.5Confident218 Ų218128.2 Ų128.283%0.82669%0.691SS**THydrogen-bonded Turntrans-96.53.8-178.1-60.8107.7000113.4N328 I332N328-W330 PolarHBondContact O-N 3.37Å; W330-I332 HydrophobicContact CB-CD1 4.19Å; W330-I332 HydrophobicContact CB-CG1 3.97Å; W330-I332 PolarHBondContact O-N 3.49Å
331G82.2Confident71.1Confident49 Ų49125.9 Ų125.951%0.50569%0.685SS.*  trans58.536179.700000112.7N328 E333N328-G331 PolarHBondContact O-N 3.5Å; N328-G331 PolarHBondContact OD1-N 3.25Å; G331-E333 PolarHBondContact O-N 2.93Å
332I84.8Confident70.7Confident107 Ų107121.6 Ų121.655%0.54967%0.667SS.*  trans-68.5117.4179.2-62167.8000108N328 W330N328-I332 PolarHBondContact ND2-N 3.21Å; N328-I332 PolarHBondContact ND2-O 3.48Å; N328-I332 WeakPolarHBondContact OD1-CB 3.45Å; N328-I332 PolarHBondContact OD1-N 3.44Å; W330-I332 HydrophobicContact CB-CD1 4.19Å; W330-I332 HydrophobicContact CB-CG1 3.97Å; W330-I332 PolarHBondContact O-N 3.49Å
333E83.5Confident70Confident164 Ų164121.9 Ų121.977%0.76667%0.665SS**  trans-102.4144.9178.4-67.1179.5-177.600110.7G331 V335G331-E333 PolarHBondContact O-N 2.93Å; E333-V335 PolarHBondContact O-N 2.76Å
334V80.7Confident68.8Low131 Ų131121.8 Ų121.879%0.79466%0.664SS**  trans-90.2102.7170-178.80000107.1
335V81.1Confident67.7Low82 Ų82118.5 Ų118.550%0.49765%0.65SS.*  trans-74.3128.1174.4-173.50000108E333 L340E333-V335 PolarHBondContact O-N 2.76Å; V335-L340 HydrophobicContact CG1-CG 4.46Å
336A73.8Confident66.9Low67 Ų67122.3 Ų122.355%0.55467%0.665SS**  trans-65.1138.2172.600000109.6A338 T339A336-A338 PolarHBondContact O-N 2.9Å; A336-T339 PolarHBondContact O-N 2.86Å
337D62.4Low66Low178 Ų178119 Ų11995%0.95266%0.66SS**THydrogen-bonded Turntrans-59.26.8-177.1-78.1-31.3000115.4
338A54Low65.2Low90 Ų90115.6 Ų115.674%0.74464%0.644SS**THydrogen-bonded Turntrans-111.11.4-173.500000115.9A336A336-A338 PolarHBondContact O-N 2.9Å
339T43.8Very low64.5Low109 Ų109115.8 Ų115.867%0.66965%0.653SS**  trans-147.851.8-177.754.20000114.3A336 D341A336-T339 PolarHBondContact O-N 2.86Å; T339-D341 PolarHBondContact O-N 2.99Å
340L44.6Very low63.2Low126 Ų126118.1 Ų118.166%0.6667%0.668SS**  trans-91.984.7159.4-79.4163.3000108.6V335 L342V335-L340 HydrophobicContact CG1-CG 4.46Å; L340-L342 VanDerWaalsContact C-N 3.27Å; L340-L342 PolarHBondContact O-N 3.3Å
341D47.6Very low62.5Low136 Ų136111.9 Ų111.973%0.72767%0.672SS**  trans-64.896.2156.9-89.3-26.1000107T339 D343 T344T339-D341 PolarHBondContact O-N 2.99Å; D341-D343 PolarHBondContact O-N 3.42Å; D341-T344 PolarHBondContact O-N 3.05Å; D341-T344 PolarHBondContact O-OG1 3.25Å
342L51.7Low62Low94 Ų94115.2 Ų115.249%0.49268%0.677SS.*G310 helixtrans-66.22-178.2-82145000113.5L340 Q361L340-L342 VanDerWaalsContact C-N 3.27Å; L340-L342 PolarHBondContact O-N 3.3Å; L342-Q361 HydrophobicContact CB-CG 4.42Å
343D50.2Low61.1Low132 Ų132119 Ų11971%0.70669%0.692SS**G310 helixtrans-78.4-17.3177.3-83.9-28000114.3D341D341-D343 PolarHBondContact O-N 3.42Å
344T49.1Very low60.4Low123 Ų123116.4 Ų116.476%0.75568%0.677SS**G310 helixtrans-94.6-1.117834.90000115.3D341 K346D341-T344 PolarHBondContact O-N 3.05Å; D341-T344 PolarHBondContact O-OG1 3.25Å; T344-K346 VanDerWaalsContact C-N 3.3Å; T344-K346 PolarHBondContact O-N 3.46Å
345A49.4Very low59.7Low52 Ų52114.9 Ų114.943%0.4368%0.677SS.*THydrogen-bonded Turntrans-86.717.5-174.500000115.1Y354A345-Y354 PolarHBondContact O-OH 3.17Å; A345-Y354 VanDerWaalsContact O-OH 3.11Å
346K53.5Low59.2Low176 Ų176119.7 Ų119.777%0.76569%0.688SS**THydrogen-bonded Turntrans-93.1-13.7-179.5-73.4-175.7179.6175.50114.7T344T344-K346 VanDerWaalsContact C-N 3.3Å; T344-K346 PolarHBondContact O-N 3.46Å
347E55.8Low58.6Low184 Ų184125.3 Ų125.386%0.8670%0.703SS**  trans-103112.1-179.7-70-169.3167.200111.3
348V65.4Low58.4Low58 Ų58120.8 Ų120.835%0.35268%0.683SS.*PPolyproline II helixtrans-89141171.1-140.80000108.6L352 Y354V348-L352 HydrophobicContact CB-CB 4.12Å; V348-L352 HydrophobicContact CG1-CB 3.34Å; V348-L352 HydrophobicContact CG1-CD1 4.31Å; V348-L352 HydrophobicContact CG1-CG 4.43Å; V348-Y354 HydrophobicContact CG2-CD2 3.65Å; V348-Y354 HydrophobicContact CG2-CE2 3.33Å
349A69.6Low58.2Low60 Ų60121.1 Ų121.150%0.49669%0.686SS.*PPolyproline II helixtrans-55.7151.7179.100000111.8G351 L352A349-G351 PolarHBondContact O-N 3.1Å; A349-L352 HydrophobicContact CB-CD1 4.36Å; A349-L352 PolarHBondContact O-N 3.21Å
350P58.5Low58.3Low144 Ų144124.7 Ų124.794%0.93570%0.695SS**THydrogen-bonded Turntrans-53.6116.3-178.9-22.331000111.3
351G70.5Confident58.4Low87 Ų87124 Ų12490%0.89769%0.688SS**THydrogen-bonded Turntrans107.7-0.3-178.600000115.9A349A349-G351 PolarHBondContact O-N 3.1Å
352L71.4Confident57.9Low119 Ų119123.6 Ų123.662%0.62369%0.691SS**  trans-114.8141.9174.6-74.7159.2000111.3V348 A349V348-L352 HydrophobicContact CB-CB 4.12Å; V348-L352 HydrophobicContact CG1-CB 3.34Å; V348-L352 HydrophobicContact CG1-CD1 4.31Å; V348-L352 HydrophobicContact CG1-CG 4.43Å; A349-L352 HydrophobicContact CB-CD1 4.36Å; A349-L352 PolarHBondContact O-N 3.21Å
353Q65.9Low57.1Low186 Ų186123.4 Ų123.487%0.86970%0.697SS**  trans-134.6140176-171.1176.8-1.100108.6
354Y68.6Low56.3Low111 Ų111124.9 Ų124.944%0.43570%0.704SS.*  trans-65.9139.9174.4-72.1-77.2000111A345 V348 Y356 P358A345-Y354 PolarHBondContact O-OH 3.17Å; A345-Y354 VanDerWaalsContact O-OH 3.11Å; V348-Y354 HydrophobicContact CG2-CD2 3.65Å; V348-Y354 HydrophobicContact CG2-CE2 3.33Å; Y354-Y356 VanDerWaalsContact CB-O 3.31Å; Y354-Y356 WeakPolarHBondContact CB-O 3.27Å; Y354-Y356 PolarHBondContact O-N 2.83Å; Y354-P358 HydrophobicContact CD2-CG 4.34Å; Y354-P358 HydrophobicContact CE2-CG 4.45Å
355A66Low55.7Low98 Ų98125.9 Ų125.981%0.8170%0.7SS**SBendtrans-77.2-9.417500000113.3
356Y71.8Confident54.9Low183 Ų183132.6 Ų132.672%0.71872%0.723SS**SBendtrans-153.5150.9-179.838.5-92.9000109.6Y354Y354-Y356 VanDerWaalsContact CB-O 3.31Å; Y354-Y356 WeakPolarHBondContact CB-O 3.27Å; Y354-Y356 PolarHBondContact O-N 2.83Å
357E61.9Low54Low185 Ų185130.1 Ų130.186%0.86472%0.718SS**PPolyproline II helixtrans-64.6130.7176.2-70.8179.5162.200110.3A359E357-A359 PolarHBondContact O-N 3.48Å
358P57.6Low52.8Low84 Ų84125.2 Ų125.255%0.54572%0.717SS.*PPolyproline II helixtrans-61.8131.9172.7-17.529.5000109.9Y354 E360Y354-P358 HydrophobicContact CD2-CG 4.34Å; Y354-P358 HydrophobicContact CE2-CG 4.45Å; P358-E360 PolarHBondContact O-N 3.33Å
359A48.9Very low51.2Low96 Ų96130.2 Ų130.279%0.79374%0.736SS**PPolyproline II helixtrans-60.3127.9174.400000110.1E357 Q361E357-A359 PolarHBondContact O-N 3.48Å; A359-Q361 PolarHBondContact O-N 3.26Å
360E46.5Very low49.3Very low185 Ų185137.4 Ų137.486%0.86476%0.757SS**PPolyproline II helixtrans-59.2126.5174.8-72.6-176.7155.700109.9P358 V362P358-E360 PolarHBondContact O-N 3.33Å; E360-V362 PolarHBondContact O-N 2.83Å
361Q47.2Very low48.1Very low111 Ų111138.6 Ų138.652%0.51975%0.749SS.*  trans-65.1107.6171-68.6-167.4-69.900109L342 A359 S363L342-Q361 HydrophobicContact CB-CG 4.42Å; A359-Q361 PolarHBondContact O-N 3.26Å; Q361-S363 PolarHBondContact O-N 3.18Å
362V35.9Very low46.1Very low128 Ų128142 Ų14278%0.77675%0.747SS**  trans-63.8103.3162.3-179.50000106.5E360 L364E360-V362 PolarHBondContact O-N 2.83Å; V362-L364 PolarHBondContact O-N 2.84Å; V362-L364 VanDerWaalsContact O-N 3.09Å
363S35.3Very low44.2Very low89 Ų89143 Ų14362%0.62276%0.758SS**  trans-62.3109.5167.637.90000107.3Q361 Q365Q361-S363 PolarHBondContact O-N 3.18Å; S363-Q365 PolarHBondContact O-N 3.46Å
364L34.1Very low42.8Very low163 Ų163138.1 Ų138.185%0.85375%0.749SS**  trans-67.981.8161.7-74.3164.6000106.6V362 Q366V362-L364 PolarHBondContact O-N 2.84Å; V362-L364 VanDerWaalsContact O-N 3.09Å; L364-Q366 PolarHBondContact O-N 2.92Å; L364-Q366 VanDerWaalsContact O-N 3.16Å
365Q36.6Very low41.1Very low144 Ų144142 Ų14267%0.67377%0.772SS**  trans-57.1118.8161.9-74-178.4-17.100106.3S363 D367S363-Q365 PolarHBondContact O-N 3.46Å; Q365-D367 PolarHBondContact O-N 2.98Å
366Q32.6Very low39.7Very low194 Ų194140.9 Ų140.991%0.90777%0.769SS**  trans-66.370.4165.1-72.8178.4-20.800108.1L364 G368L364-Q366 PolarHBondContact O-N 2.92Å; L364-Q366 VanDerWaalsContact O-N 3.16Å; Q366-G368 PolarHBondContact O-N 3.03Å
367D34Very low38.3Very low123 Ų123142.2 Ų142.266%0.65878%0.779SS**  trans-78.5102.7160.9-79.3-26000106.5Q365 E369Q365-D367 PolarHBondContact O-N 2.98Å; D367-E369 PolarHBondContact O-N 2.95Å
368G29.9Very low37.9Very low82 Ų82139.4 Ų139.485%0.84577%0.765SS**  trans-63.180.1165.500000109.6Q366Q366-G368 PolarHBondContact O-N 3.03Å
369E32.9Very low38.3Very low163 Ų163138.2 Ų138.276%0.76276%0.759SS**  trans-98.8111.2156.4-73.8-166153.800108.3D367 E371D367-E369 PolarHBondContact O-N 2.95Å; E369-E371 PolarHBondContact O-N 3.27Å
370K28.7Very low39Very low211 Ų211139.7 Ų139.792%0.91775%0.753SS**  trans-61.889.7164.3-71.4173.6173.9175.90107.9
371E33.1Very low40.2Very low168 Ų168138.3 Ų138.379%0.78575%0.746SS**  trans-85.8109.4158.5-76.9-162.6149.300108.7E369 V373E369-E371 PolarHBondContact O-N 3.27Å; E371-V373 PolarHBondContact O-N 2.99Å
372D29.9Very low41.5Very low158 Ų158138.4 Ų138.485%0.84575%0.747SS**  trans-52.999.8166.2-88.6-43.2000109.6A374D372-A374 PolarHBondContact O-N 3.12Å
373V32Very low43.2Very low142 Ų142136.9 Ų136.986%0.86173%0.734SS**  trans-71.386.9156.6-178.50000106.6E371 Q375E371-V373 PolarHBondContact O-N 2.99Å; V373-Q375 PolarHBondContact O-N 3.2Å
374A35.8Very low45Very low82 Ų82138.3 Ų138.368%0.67873%0.732SS**  trans-50.4111.1168.400000109.9D372 G376D372-A374 PolarHBondContact O-N 3.12Å; A374-G376 PolarHBondContact O-N 3Å
375Q31.7Very low47.3Very low194 Ų194138.5 Ų138.591%0.90773%0.726SS**  trans2185.6138.8-66.2177.6-9.500116.4V373V373-Q375 PolarHBondContact O-N 3.2Å
376G38.1Very low49.3Very low73 Ų73140.2 Ų140.275%0.75373%0.726SS**  trans-117.773.8157.500000110A374 E378A374-G376 PolarHBondContact O-N 3Å; G376-E378 PolarHBondContact O-N 3.15Å
377K41.2Very low51.2Low212 Ų212137.7 Ų137.792%0.92272%0.716SS**  trans-72.677.4169.1-80.1-177.9174.5177.70108.9
378E54.4Low53.2Low126 Ų126140.8 Ų140.859%0.58972%0.724SS**  trans-77.1122.3157.7-79.3-170161.900107.9G376G376-E378 PolarHBondContact O-N 3.15Å
379S64.8Low55.7Low59 Ų59141 Ų14141%0.41372%0.718SS.*  trans-74.2147.3176.8750000110.3E381 E382 L383S379-E381 PolarHBondContact O-N 3.12Å; S379-E382 WeakPolarHBondContact O-CB 3.34Å; S379-E382 PolarHBondContact O-N 2.86Å; S379-L383 PolarHBondContact O-N 3.05Å
380L63.5Low57.4Low126 Ų126143.1 Ų143.166%0.6673%0.733SS**Hα-helixtrans-52.6-28.5177-172.572.3000113M384L380-M384 HydrophobicContact CD2-CE 4.07Å; L380-M384 HydrophobicContact CG-CE 4.07Å; L380-M384 PolarHBondContact O-N 2.92Å; L380-M384 VanDerWaalsContact O-N 3.15Å
381E72.2Confident58.9Low156 Ų156139.7 Ų139.773%0.72972%0.724SS**Hα-helixtrans-68-34.8176.8-71.5-173.7151.200113S379 M384 K385S379-E381 PolarHBondContact O-N 3.12Å; E381-M384 PolarHBondContact O-N 2.87Å; E381-K385 PolarHBondContact O-N 3.38Å
382E74.6Confident60.2Low113 Ų113138.2 Ų138.253%0.52872%0.721SS.*Hα-helixtrans-70.3-39.9177.5-113.9166.316800111.4S379 M384 K385 R386S379-E382 WeakPolarHBondContact O-CB 3.34Å; S379-E382 PolarHBondContact O-N 2.86Å; E382-M384 PolarHBondContact O-N 2.99Å; E382-K385 PolarHBondContact O-N 2.91Å; E382-R386 PolarHBondContact O-N 3.24Å; E382-R386 VanDerWaalsContact O-N 3.15Å
383L71.8Confident61.9Low96 Ų96137.1 Ų137.150%0.50371%0.714SS.*Hα-helixtrans-61.4-44.1173.9-155.992000111.2S379 K385 R386 M387S379-L383 PolarHBondContact O-N 3.05Å; L383-K385 PolarHBondContact O-N 2.75Å; L383-R386 PolarHBondContact O-N 3.23Å; L383-M387 PolarHBondContact O-N 2.96Å
384M72.6Confident63.7Low119 Ų119136.8 Ų136.859%0.58671%0.705SS**Hα-helixtrans-66.9-32.6177.5-78.1-155.1-12300113.5L380 E381 E382 K388L380-M384 HydrophobicContact CD2-CE 4.07Å; L380-M384 HydrophobicContact CG-CE 4.07Å; L380-M384 PolarHBondContact O-N 2.92Å; L380-M384 VanDerWaalsContact O-N 3.15Å; E381-M384 PolarHBondContact O-N 2.87Å; E382-M384 PolarHBondContact O-N 2.99Å; M384-K388 PolarHBondContact O-N 3.2Å
385K83.3Confident65.4Low167 Ų167140.3 Ų140.373%0.72671%0.707SS**Hα-helixtrans-66.4-40.3174-103.6-177.8178175.30111.9E381 E382 L383 K388 A389E381-K385 PolarHBondContact O-N 3.38Å; E382-K385 PolarHBondContact O-N 2.91Å; L383-K385 PolarHBondContact O-N 2.75Å; K385-K388 PolarHBondContact O-N 3.09Å; K385-A389 PolarHBondContact O-N 2.96Å
386R79.1Confident67.6Low181 Ų181136.7 Ų136.768%0.68369%0.693SS**Hα-helixtrans-67.6-39.2-178.7-139.4173.5-177.3164.9-0.8112E382 L383 K388 A389E382-R386 PolarHBondContact O-N 3.24Å; E382-R386 VanDerWaalsContact O-N 3.15Å; L383-R386 PolarHBondContact O-N 3.23Å; R386-K388 VanDerWaalsContact C-N 3.27Å; R386-K388 PolarHBondContact O-N 3.13Å; R386-A389 PolarHBondContact O-N 3.25Å
387M72.5Confident69.7Low141 Ų141141.2 Ų141.270%0.69569%0.689SS**Hα-helixtrans-67.7-23.8175.3-70.6-164.279.200113.9L383 A389L383-M387 PolarHBondContact O-N 2.96Å; M387-A389 VanDerWaalsContact C-N 3.34Å
388K75.2Confident71.9Confident187 Ų187135.8 Ų135.881%0.81367%0.671SS**THydrogen-bonded Turntrans-82.5-9.2174.1-83.4-177.5174.9178.10114M384 K385 R386M384-K388 PolarHBondContact O-N 3.2Å; K385-K388 PolarHBondContact O-N 3.09Å; R386-K388 VanDerWaalsContact C-N 3.27Å; R386-K388 PolarHBondContact O-N 3.13Å
389A81.7Confident73.4Confident87 Ų87136.6 Ų136.672%0.71968%0.678SS**  trans-101.9-3.2179.800000113.3K385 R386 M387K385-A389 PolarHBondContact O-N 2.96Å; R386-A389 PolarHBondContact O-N 3.25Å; M387-A389 VanDerWaalsContact C-N 3.34Å
390L69.5Low74.2Confident207 Ų207143.6 Ų143.6100%1.08470%0.702SS**  trans-92.80163-68.7168.8000108.7

Retrieved 390 of 390 residues in 169.3 ms (Link to these results)

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