A0A5K4F5T0_SCHMA Loading...

Transducin/WD40 repeat-like superfamily protein

AlphaFold DB , UniProt , Accession A0A5K4F5T0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 248 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
1M47.4Very low38.9Very low55 Ų55103.8 Ų103.827%0.27159%0.589SS.*  0136.20-173.6167.9166.900108.5Y3 M32 S102 R103 R105M1-Y3 HydrophobicContact CB-CD2 4.22Å; M1-Y3 HydrophobicContact CB-CE2 3.72Å; M1-Y3 HydrophobicContact CE-CD1 4.38Å; M1-Y3 HydrophobicContact CE-CE1 3.52Å; M1-Y3 HydrophobicContact CE-CE2 3.74Å; M1-Y3 WeakPolarHBondContact CE-OH 3.32Å; M1-Y3 HydrophobicContact CG-CD2 3.95Å; M1-Y3 HydrophobicContact CG-CE2 3.39Å; M1-Y3 HydrophobicContact SD-CD2 4.46Å; M1-Y3 HydrophobicContact SD-CE1 4.3Å; M1-Y3 HydrophobicContact SD-CE2 3.42Å; M1-Y3 WeakPolarHBondContact SD-CE2 3.45Å; M1-Y3 PolarHBondContact SD-OH 2.83Å; M1-M32 PolarHBondContact N-O 2.92Å; M1-M32 PolarHBondContact O-N 3.1Å; M1-M32 VanDerWaalsContact O-N 3.14Å; M1-S102 WeakPolarHBondContact CE-O 3.42Å; M1-R103 WeakPolarHBondContact CE-O 3.49Å; M1-R105 WeakPolarHBondContact CE-O 3.4Å
2K37.5Very low38.6Very low133 Ų133102.4 Ų102.458%0.57859%0.591SS**EExtended strand (participates in β ladder)trans-93.3114.5179.7-73.1-173.3171.7-172.80108.8V29K2-V29 HydrophobicContact CB-CG1 3.57Å; K2-V29 HydrophobicContact CD-CG1 3.78Å; K2-V29 HydrophobicContact CG-CG1 3.48Å; K2-V29 VanDerWaalsContact CG-CG1 3.48Å
3Y43.2Very low38.5Very low20 Ų20108.2 Ų108.28%0.07861%0.609CS.*EExtended strand (participates in β ladder)trans-104.6138175.3-74.8-91.1000110.5M1 E30 M32 G106 L122M1-Y3 HydrophobicContact CB-CD2 4.22Å; M1-Y3 HydrophobicContact CB-CE2 3.72Å; M1-Y3 HydrophobicContact CE-CD1 4.38Å; M1-Y3 HydrophobicContact CE-CE1 3.52Å; M1-Y3 HydrophobicContact CE-CE2 3.74Å; M1-Y3 WeakPolarHBondContact CE-OH 3.32Å; M1-Y3 HydrophobicContact CG-CD2 3.95Å; M1-Y3 HydrophobicContact CG-CE2 3.39Å; M1-Y3 HydrophobicContact SD-CD2 4.46Å; M1-Y3 HydrophobicContact SD-CE1 4.3Å; M1-Y3 HydrophobicContact SD-CE2 3.42Å; M1-Y3 WeakPolarHBondContact SD-CE2 3.45Å; M1-Y3 PolarHBondContact SD-OH 2.83Å; Y3-E30 PolarHBondContact N-O 2.9Å; Y3-M32 HydrophobicContact CD1-CE 4.28Å; Y3-M32 HydrophobicContact CD2-CB 4.3Å; Y3-M32 HydrophobicContact CD2-CE 3.42Å; Y3-M32 VanDerWaalsContact CD2-CE 3.42Å; Y3-M32 HydrophobicContact CD2-CG 3.74Å; Y3-M32 HydrophobicContact CD2-SD 3.35Å; Y3-M32 WeakPolarHBondContact CD2-SD 3.49Å; Y3-M32 HydrophobicContact CE2-CB 4.15Å; Y3-M32 HydrophobicContact CE2-CE 3.84Å; Y3-M32 HydrophobicContact CE2-CG 3.91Å; Y3-M32 HydrophobicContact CE2-SD 3.18Å; Y3-M32 WeakPolarHBondContact CE2-SD 3.17Å; Y3-M32 HydrophobicContact CG-CE 3.64Å; Y3-M32 HydrophobicContact CG-SD 4.15Å; Y3-G106 WeakPolarHBondContact OH-CA 3.39Å; Y3-L122 HydrophobicContact CE2-CD2 4.43Å; Y3-L122 WeakPolarHBondContact OH-CD2 3.36Å
4S40.4Very low38.1Very low79 Ų79107.9 Ų107.955%0.55262%0.618SS**  trans-100.2102.5163.6-177.10000106.5K6S4-K6 PolarHBondContact O-N 2.74Å
5L44.4Very low37.8Very low74 Ų74112.7 Ų112.739%0.38764%0.64SS.*PPolyproline II helixtrans-74.3118.1166.9-92.1132000107.7
6K40.3Very low37.6Very low181 Ų181112.8 Ų112.879%0.78765%0.649SS**PPolyproline II helixtrans-85.2119.2155.6-80.1-173.9174.2-174.20106S4S4-K6 PolarHBondContact O-N 2.74Å
7S35.2Very low37.4Very low91 Ų91112.9 Ų112.964%0.63666%0.659SS**PPolyproline II helixtrans-57.1140.6168.650.20000109.4I9S7-I9 PolarHBondContact O-N 3.21Å
8P37.7Very low37.3Very low125 Ų125111.8 Ų111.881%0.81266%0.658SS**PPolyproline II helixtrans-62.4121170.324.5-29.5000108.6S10P8-S10 PolarHBondContact O-N 2.69Å; P8-S10 VanDerWaalsContact O-N 3.12Å
9I36.5Very low37.2Very low163 Ų163115.8 Ų115.884%0.83667%0.669SS**  trans-60.2113.9173.5-60.8171.3000106.9S7 S11S7-I9 PolarHBondContact O-N 3.21Å; I9-S11 PolarHBondContact O-N 3.31Å
10S33.5Very low37Very low101 Ų101113.8 Ų113.871%0.70668%0.675SS**  trans-66.6111.1169.955.80000108.5P8 S12P8-S10 PolarHBondContact O-N 2.69Å; P8-S10 VanDerWaalsContact O-N 3.12Å; S10-S12 PolarHBondContact O-N 3.43Å
11S32.2Very low36.5Very low120 Ų120116.3 Ų116.384%0.83968%0.684SS**  trans-73.989.4170.556.40000109.9I9I9-S11 PolarHBondContact O-N 3.31Å
12S35.2Very low35.6Very low87 Ų87123 Ų12361%0.60871%0.712SS**  trans-162.6135.1153.454.20000111.1S10S10-S12 PolarHBondContact O-N 3.43Å
13Q36.7Very low35.4Very low177 Ų177122.5 Ų122.583%0.82772%0.72SS**  trans93.794.9156.5-67.8169-5.400118.5
14S33.6Very low34.8Very low104 Ų104126.6 Ų126.673%0.72775%0.752SS**  62.4114.6124.5560000119.7S16S14-S16 PolarHBondContact O-N 3.23Å
15L33.9Very low34.3Very low181 Ų181130.9 Ų130.995%0.94876%0.763SS**  trans-51.8123.2156.9-68.498.2000110.9
16S34.7Very low33.9Very low114 Ų114131.5 Ų131.580%0.79777%0.774SS**  trans-159.4145.5137.454.70000110.2S14S14-S16 PolarHBondContact O-N 3.23Å
17S34.1Very low33.8Very low115 Ų115130.7 Ų130.780%0.80477%0.767SS**  trans-58.3156.6-16945.40000117.1
18S35.5Very low34.6Very low92 Ų92129.2 Ų129.264%0.64375%0.754SS**  trans113.5116.9139.2-1600000116
19E35.3Very low35.2Very low188 Ų188125.5 Ų125.588%0.87973%0.729SS**  trans69.4128.7147.1-69.8172.3171.200120.3
20G31.9Very low36.7Very low76 Ų76120.6 Ų120.678%0.78470%0.702SS**  trans119.196.9144.800000116.6
21L27.1Very low38.9Very low166 Ų166117.9 Ų117.987%0.86968%0.684SS**  trans-23.6148.8154-85.5124.6000117.2
22K28.5Very low41.6Very low195 Ų195113 Ų11385%0.84865%0.648SS**  trans109.3120.5165.3-65168.5-175.8-1790110.6
23T33.6Very low44.3Very low124 Ų124112.4 Ų112.476%0.76164%0.638SS**  cis-165.6150.429.832.70000108.6E25T23-E25 PolarHBondContact O-N 3.06Å
24S30.7Very low47Very low105 Ų105105 Ų10573%0.73460%0.604SS**  trans-26.8117.5166.4540000115S26S24-S26 PolarHBondContact O-N 2.98Å
25E30.7Very low50Low169 Ų169101.9 Ų101.979%0.7958%0.581SS**  trans-64.989.2154.4-75.4-174.4165.600107.2T23 Y27T23-E25 PolarHBondContact O-N 3.06Å; E25-Y27 PolarHBondContact O-N 2.96Å
26S34.1Very low52.9Low87 Ų8795.3 Ų95.361%0.60855%0.548SS*.  trans-58.9106.2170.1166.30000107.5S24 T28S24-S26 PolarHBondContact O-N 2.98Å; S26-T28 PolarHBondContact O-N 3.39Å
27Y39.9Very low55.7Low164 Ų16493.2 Ų93.264%0.64353%0.528SS*.  trans-58.292.1164.2-65.2-81.1000107.9E25 V29E25-Y27 PolarHBondContact O-N 2.96Å; Y27-V29 VanDerWaalsContact C-N 3.31Å; Y27-V29 PolarHBondContact O-N 3.36Å
28T51.3Low58.5Low61 Ų6192.6 Ų92.637%0.37451%0.512SS..  trans-67.997.6170.646.60000106.5S26 E30S26-T28 PolarHBondContact O-N 3.39Å; T28-E30 PolarHBondContact O-N 3.35Å
29V50.8Low61.1Low47 Ų4789.9 Ų89.929%0.28549%0.492SS..  trans-71.889.7173.7179.80000106.8K2 Y27 S31K2-V29 HydrophobicContact CB-CG1 3.57Å; K2-V29 HydrophobicContact CD-CG1 3.78Å; K2-V29 HydrophobicContact CG-CG1 3.48Å; K2-V29 VanDerWaalsContact CG-CG1 3.48Å; Y27-V29 VanDerWaalsContact C-N 3.31Å; Y27-V29 PolarHBondContact O-N 3.36Å; V29-S31 PolarHBondContact O-N 3.44Å
30E67.5Low63.6Low59 Ų5989.7 Ų89.728%0.27650%0.496SS..EExtended strand (participates in β ladder)trans-66.5118.3170-72.7-168.9-163.600108Y3 T28 S54Y3-E30 PolarHBondContact N-O 2.9Å; T28-E30 PolarHBondContact O-N 3.35Å; E30-S54 PolarHBondContact OE2-OG 3.44Å
31S80.5Confident66.2Low45 Ų4591 Ų9132%0.31549%0.492SS..EExtended strand (participates in β ladder)trans-81.5131.1168.8-67.60000107.2V29 V55V29-S31 PolarHBondContact O-N 3.44Å; S31-V55 WeakPolarHBondContact O-CA 3.2Å; S31-V55 WeakPolarHBondContact O-CB 3.27Å; S31-V55 WeakPolarHBondContact O-CG2 3.24Å; S31-V55 PolarHBondContact O-N 3Å
32M87.8Confident68.9Low16 Ų1686 Ų868%0.07948%0.475CS..EExtended strand (participates in β ladder)trans-101.8137.1172.8-66.1-175.9-167.800110.6M1 Y3 V52 W53 F83 L122M1-M32 PolarHBondContact N-O 2.92Å; M1-M32 PolarHBondContact O-N 3.1Å; M1-M32 VanDerWaalsContact O-N 3.14Å; Y3-M32 HydrophobicContact CD1-CE 4.28Å; Y3-M32 HydrophobicContact CD2-CB 4.3Å; Y3-M32 HydrophobicContact CD2-CE 3.42Å; Y3-M32 VanDerWaalsContact CD2-CE 3.42Å; Y3-M32 HydrophobicContact CD2-CG 3.74Å; Y3-M32 HydrophobicContact CD2-SD 3.35Å; Y3-M32 WeakPolarHBondContact CD2-SD 3.49Å; Y3-M32 HydrophobicContact CE2-CB 4.15Å; Y3-M32 HydrophobicContact CE2-CE 3.84Å; Y3-M32 HydrophobicContact CE2-CG 3.91Å; Y3-M32 HydrophobicContact CE2-SD 3.18Å; Y3-M32 WeakPolarHBondContact CE2-SD 3.17Å; Y3-M32 HydrophobicContact CG-CE 3.64Å; Y3-M32 HydrophobicContact CG-SD 4.15Å; M32-V52 HydrophobicContact CB-CG1 3.88Å; M32-V52 HydrophobicContact CG-CG1 4.19Å; M32-V52 HydrophobicContact SD-CG1 3.88Å; M32-W53 WeakPolarHBondContact CA-O 3.49Å; M32-F83 HydrophobicContact CE-CD1 4.09Å; M32-F83 HydrophobicContact CE-CD2 4.12Å; M32-F83 HydrophobicContact CE-CE1 3.6Å; M32-F83 HydrophobicContact CE-CE2 3.6Å; M32-F83 HydrophobicContact CE-CG 4.32Å; M32-F83 HydrophobicContact CE-CZ 3.29Å; M32-F83 HydrophobicContact SD-CD1 4.06Å; M32-F83 HydrophobicContact SD-CE1 3.95Å; M32-F83 HydrophobicContact SD-CG 4.49Å; M32-F83 HydrophobicContact SD-CZ 4.26Å; M32-L122 HydrophobicContact SD-CD2 3.52Å; M32-L122 VanDerWaalsContact SD-CD2 3.52Å
33L91.6Very high71.5Confident76 Ų7681.1 Ų81.140%0.39846%0.458SS..EExtended strand (participates in β ladder)trans-106131172.1172.767.4000108.5T35 V52 W53 V55 L80L33-T35 HydrophobicContact CD1-CG2 4.12Å; L33-T35 HydrophobicContact CD2-CG2 3.87Å; L33-T35 HydrophobicContact CG-CG2 3.73Å; L33-V52 CarbonylContact O-C 3.56Å; L33-V52 WeakPolarHBondContact O-CA 3.42Å; L33-W53 HydrophobicContact CB-CB 4.28Å; L33-W53 PolarHBondContact N-O 3.39Å; L33-W53 PolarHBondContact O-N 2.92Å; L33-V55 HydrophobicContact CB-CG2 3.63Å; L33-L80 HydrophobicContact CD2-CD1 3.77Å
34V94.3Very high73.8Confident22 Ų2286.2 Ų86.213%0.13346%0.463CS..EExtended strand (participates in β ladder)trans-109125.3176.3-177.10000108L50 V51 V52 V99 I108V34-L50 HydrophobicContact CG1-CD1 3.69Å; V34-V51 WeakPolarHBondContact CA-O 3.46Å; V34-V52 HydrophobicContact CG2-CG2 4.23Å; V34-V99 HydrophobicContact CB-CG2 3.97Å; V34-V99 HydrophobicContact CG1-CG2 4.41Å; V34-V99 HydrophobicContact CG2-CG2 3.92Å; V34-I108 HydrophobicContact CG1-CD1 3.88Å; V34-I108 HydrophobicContact CG1-CG1 4.26Å; V34-I108 HydrophobicContact CG1-CG2 3.8Å; V34-I108 HydrophobicContact CG2-CD1 3.84Å; V34-I108 HydrophobicContact CG2-CG1 4.23Å
35T95.8Very high76.4Confident38 Ų3890.6 Ų90.623%0.23346%0.463CS..EExtended strand (participates in β ladder)trans-137.8168.6176.574.90000111.3L33 V51 W53L33-T35 HydrophobicContact CD1-CG2 4.12Å; L33-T35 HydrophobicContact CD2-CG2 3.87Å; L33-T35 HydrophobicContact CG-CG2 3.73Å; T35-V51 PolarHBondContact N-O 3.45Å; T35-V51 PolarHBondContact O-N 3.47Å; T35-V51 VanDerWaalsContact O-O 3.12Å; T35-W53 PolarHBondContact OG1-NE1 3.26Å
36T95.1Very high79.1Confident43 Ų4383.2 Ų83.226%0.26443%0.431SS..EExtended strand (participates in β ladder)trans-114.2140.7169.854.70000110.2R49 L50 P94T36-R49 CarbonylContact C-O 3.53Å; T36-R49 WeakPolarHBondContact CA-O 3.35Å; T36-L50 HydrophobicContact CG2-CD1 4.12Å; T36-P94 HydrophobicContact CG2-CB 3.78Å; T36-P94 HydrophobicContact CG2-CG 3.88Å
37I93.9Very high81.8Confident70 Ų7084.3 Ų84.336%0.35943%0.425SS..EExtended strand (participates in β ladder)trans-104.9121.1170.8-56.1178.9000107.4S48 R49 V51 W53I37-S48 CarbonylContact O-C 3.58Å; I37-S48 VanDerWaalsContact O-CA 3.29Å; I37-S48 WeakPolarHBondContact O-CA 3.35Å; I37-S48 WeakPolarHBondContact O-CB 3.38Å; I37-R49 HydrophobicContact CB-CB 4.29Å; I37-R49 PolarHBondContact N-O 2.82Å; I37-R49 PolarHBondContact O-N 3.29Å; I37-V51 HydrophobicContact CD1-CG2 3.68Å; I37-V51 HydrophobicContact CG1-CG2 3.91Å; I37-W53 HydrophobicContact CD1-CH2 4.42Å; I37-W53 HydrophobicContact CD1-CZ2 4.08Å
38Q91.9Very high84.3Confident101 Ų10176.6 Ų76.647%0.47239%0.394SS..  trans-102.6152.3176.6-71.8-176.1-26.600110.8P94Q38-P94 HydrophobicContact CG-CG 3.92Å; Q38-P94 PolarHBondContact NE2-O 3.13Å
39P90.6Very high86.4Confident35 Ų3577.7 Ų77.723%0.22739%0.392CS..  trans-64.2145.5171.531.2-39.2000110.9C41 A42 S48 L93P39-C41 VanDerWaalsContact C-N 3.31Å; P39-C41 PolarHBondContact O-N 3.03Å; P39-A42 HydrophobicContact CG-CB 4.07Å; P39-S48 WeakPolarHBondContact CD-OG 3.41Å; P39-L93 HydrophobicContact CG-CD2 4.1Å
40L87.8Confident88.6Confident185 Ų18575.4 Ų75.497%0.96938%0.378SS*.SBendtrans-60.2-42.7173-69.7171.9000111.7
41C87.1Confident89.9Confident103 Ų10372.6 Ų72.670%0.69637%0.365SS*.SBendtrans-114.2102.3174.1-61.90000108.7P39 N43 S46P39-C41 VanDerWaalsContact C-N 3.31Å; P39-C41 PolarHBondContact O-N 3.03Å; C41-N43 PolarHBondContact O-N 2.79Å; C41-S46 PolarHBondContact O-OG 2.84Å
42A83.2Confident90.5Very high61 Ų6170.5 Ų70.550%0.50435%0.35SS..  trans-77.112317800000111P39 L93P39-A42 HydrophobicContact CG-CB 4.07Å; A42-L93 HydrophobicContact CB-CD1 3.58Å; A42-L93 HydrophobicContact CB-CD2 4.02Å; A42-L93 HydrophobicContact CB-CG 4.45Å
43N83.3Confident90.8Very high93 Ų9371.8 Ų71.850%0.49735%0.354SS..  trans-136.8173.1170.968.143.8000109.3C41 R45 S46C41-N43 PolarHBondContact O-N 2.79Å; N43-R45 PolarHBondContact O-N 2.86Å; N43-R45 VanDerWaalsContact OD1-C 3.27Å; N43-R45 WeakPolarHBondContact OD1-CA 3.47Å; N43-R45 VanDerWaalsContact OD1-CB 3.31Å; N43-R45 WeakPolarHBondContact OD1-CB 3.45Å; N43-R45 PolarHBondContact OD1-N 3.41Å; N43-S46 VanDerWaalsContact CG-OG 3.25Å; N43-S46 PolarHBondContact N-OG 2.9Å; N43-S46 WeakPolarHBondContact O-CB 3.43Å; N43-S46 PolarHBondContact O-N 3.13Å; N43-S46 PolarHBondContact O-OG 3.01Å; N43-S46 PolarHBondContact OD1-N 3.06Å; N43-S46 PolarHBondContact OD1-OG 3.22Å; N43-S46 VanDerWaalsContact OD1-OG 3.09Å
44R81.1Confident90.7Very high230 Ų23069.3 Ų69.387%0.86834%0.343SS*.THydrogen-bonded Turntrans-60.7-14.3-180-67.8-172.7179.5171.50.3114.2G91R44-G91 WeakPolarHBondContact O-CA 3.4Å
45R86.5Confident90.3Very high197 Ų19770.4 Ų70.474%0.74335%0.35SS*.THydrogen-bonded Turntrans-102.7-4177.1-64.8-175.6-179.2175.20.9113.5N43 F47 Q90N43-R45 PolarHBondContact O-N 2.86Å; N43-R45 VanDerWaalsContact OD1-C 3.27Å; N43-R45 WeakPolarHBondContact OD1-CA 3.47Å; N43-R45 VanDerWaalsContact OD1-CB 3.31Å; N43-R45 WeakPolarHBondContact OD1-CB 3.45Å; N43-R45 PolarHBondContact OD1-N 3.41Å; R45-F47 WeakPolarHBondContact O-CE2 2.83Å; R45-Q90 VanDerWaalsContact CB-NE2 3.34Å; R45-Q90 WeakPolarHBondContact O-CG 2.99Å; R45-Q90 PolarHBondContact O-NE2 3.34Å
46S87.1Confident89.6Confident14 Ų1470.9 Ų70.910%0.09835%0.353CS..  trans-74.7150.4-177.5-55.90000111C41 N43 G91C41-S46 PolarHBondContact O-OG 2.84Å; N43-S46 VanDerWaalsContact CG-OG 3.25Å; N43-S46 PolarHBondContact N-OG 2.9Å; N43-S46 WeakPolarHBondContact O-CB 3.43Å; N43-S46 PolarHBondContact O-N 3.13Å; N43-S46 PolarHBondContact O-OG 3.01Å; N43-S46 PolarHBondContact OD1-N 3.06Å; N43-S46 PolarHBondContact OD1-OG 3.22Å; N43-S46 VanDerWaalsContact OD1-OG 3.09Å; S46-G91 PolarHBondContact O-N 3.45Å
47F90.6Very high88.7Confident111 Ų11172.7 Ų72.749%0.48736%0.359SS..  trans-111138175.8-63-85.5000109.3R45 T87 Q90R45-F47 WeakPolarHBondContact O-CE2 2.83Å; F47-T87 HydrophobicContact CB-CG2 3.99Å; F47-T87 HydrophobicContact CD1-CG2 3.79Å; F47-T87 HydrophobicContact CG-CG2 4.21Å; F47-Q90 HydrophobicContact CD1-CB 4.14Å; F47-Q90 HydrophobicContact CD1-CG 4.33Å; F47-Q90 HydrophobicContact CE1-CB 3.59Å; F47-Q90 HydrophobicContact CE1-CG 3.81Å; F47-Q90 HydrophobicContact CE2-CG 4.25Å; F47-Q90 HydrophobicContact CZ-CB 4.02Å; F47-Q90 HydrophobicContact CZ-CG 3.76Å
48S93.2Very high87.6Confident1 Ų173.8 Ų73.81%0.00737%0.37CS..  trans-107.1164.2167.8-60.20000109.1I37 P39 L88 P94I37-S48 CarbonylContact O-C 3.58Å; I37-S48 VanDerWaalsContact O-CA 3.29Å; I37-S48 WeakPolarHBondContact O-CA 3.35Å; I37-S48 WeakPolarHBondContact O-CB 3.38Å; P39-S48 WeakPolarHBondContact CD-OG 3.41Å; S48-L88 WeakPolarHBondContact O-CB 3.28Å; S48-L88 PolarHBondContact O-N 2.88Å; S48-P94 VanDerWaalsContact CB-CD 3.47Å; S48-P94 VanDerWaalsContact OG-CD 3.32Å; S48-P94 WeakPolarHBondContact OG-CD 3.44Å
49R94.5Very high86.4Confident84 Ų8472.2 Ų72.232%0.31737%0.37SS..EExtended strand (participates in β ladder)trans-129.7140.9-179.9-46.5179.285.2-156.85.7109.7T36 I37 V51 E85 I86T36-R49 CarbonylContact C-O 3.53Å; T36-R49 WeakPolarHBondContact CA-O 3.35Å; I37-R49 HydrophobicContact CB-CB 4.29Å; I37-R49 PolarHBondContact N-O 2.82Å; I37-R49 PolarHBondContact O-N 3.29Å; R49-V51 HydrophobicContact CB-CG2 4.02Å; R49-E85 VanDerWaalsContact CZ-CD 3.45Å; R49-E85 IonicContact CZ-OE1 3.48Å; R49-E85 IonicContact CZ-OE2 2.64Å; R49-E85 IonicContact NH1-OE1 3.52Å; R49-E85 IonicContact NH1-OE2 3.05Å; R49-E85 PolarHBondContact NH1-OE2 3.32Å; R49-E85 IonicContact NH2-OE1 3.66Å; R49-E85 PolarHBondContact NH2-OE1 3.44Å; R49-E85 IonicContact NH2-OE2 2.74Å; R49-E85 PolarHBondContact NH2-OE2 2.97Å; R49-I86 WeakPolarHBondContact CA-O 3.18Å
50L96.4Very high84.9Confident0 Ų074.7 Ų74.70%038%0.379CS..EExtended strand (participates in β ladder)trans-96.6126.8163.8173.967.7000107.4V34 T36 E85 I86 L88 I108 V110 Y120 L129V34-L50 HydrophobicContact CG1-CD1 3.69Å; T36-L50 HydrophobicContact CG2-CD1 4.12Å; L50-E85 CarbonylContact O-C 3.49Å; L50-E85 VanDerWaalsContact O-CA 3.27Å; L50-E85 WeakPolarHBondContact O-CA 3.18Å; L50-I86 HydrophobicContact CB-CG2 3.84Å; L50-I86 HydrophobicContact CD2-CG2 4.2Å; L50-I86 HydrophobicContact CG-CG2 4.42Å; L50-I86 PolarHBondContact N-O 2.84Å; L50-I86 PolarHBondContact O-N 3.17Å; L50-L88 HydrophobicContact CB-CD2 4.25Å; L50-I108 HydrophobicContact CD1-CG2 4.08Å; L50-I108 HydrophobicContact CD2-CG2 3.99Å; L50-V110 HydrophobicContact CD1-CG2 4.08Å; L50-V110 HydrophobicContact CD2-CG2 4.03Å; L50-Y120 HydrophobicContact CD2-CD2 3.55Å; L50-Y120 HydrophobicContact CD2-CE2 4.09Å; L50-Y120 HydrophobicContact CD2-CG 3.83Å; L50-L129 HydrophobicContact CB-CD1 4.49Å; L50-L129 HydrophobicContact CD2-CD1 3.98Å; L50-L129 HydrophobicContact CD2-CD2 4.48Å; L50-L129 HydrophobicContact CG-CD1 3.96Å
51V95.5Very high83.4Confident0 Ų067.5 Ų67.50%035%0.346CS..EExtended strand (participates in β ladder)trans-130.5133-173.3-169.40000110V34 T35 I37 R49 W53 T82 E85V34-V51 WeakPolarHBondContact CA-O 3.46Å; T35-V51 PolarHBondContact N-O 3.45Å; T35-V51 PolarHBondContact O-N 3.47Å; T35-V51 VanDerWaalsContact O-O 3.12Å; I37-V51 HydrophobicContact CD1-CG2 3.68Å; I37-V51 HydrophobicContact CG1-CG2 3.91Å; R49-V51 HydrophobicContact CB-CG2 4.02Å; V51-W53 HydrophobicContact CB-CZ2 4Å; V51-W53 HydrophobicContact CG1-CD2 3.92Å; V51-W53 VanDerWaalsContact CG1-CE2 3.42Å; V51-W53 HydrophobicContact CG1-CE3 4.43Å; V51-W53 HydrophobicContact CG1-CG 4.44Å; V51-W53 HydrophobicContact CG1-CH2 4.1Å; V51-W53 HydrophobicContact CG1-CZ2 3.54Å; V51-W53 HydrophobicContact CG2-CZ2 4.49Å; V51-T82 HydrophobicContact CG1-CG2 3.71Å; V51-E85 HydrophobicContact CG1-CB 4.37Å; V51-E85 HydrophobicContact CG2-CB 4.2Å
52V93.7Very high82Confident0 Ų067 Ų670%034%0.34CS..EExtended strand (participates in β ladder)trans-106.2127.7169.8-1740000107.7M32 L33 V34 F83 A84 I108 L122 L129M32-V52 HydrophobicContact CB-CG1 3.88Å; M32-V52 HydrophobicContact CG-CG1 4.19Å; M32-V52 HydrophobicContact SD-CG1 3.88Å; L33-V52 CarbonylContact O-C 3.56Å; L33-V52 WeakPolarHBondContact O-CA 3.42Å; V34-V52 HydrophobicContact CG2-CG2 4.23Å; V52-F83 HydrophobicContact CG1-CB 4.38Å; V52-F83 HydrophobicContact CG1-CD1 4.25Å; V52-F83 WeakPolarHBondContact O-CA 3.33Å; V52-F83 WeakPolarHBondContact O-CB 3.35Å; V52-F83 PolarHBondContact O-N 3.17Å; V52-A84 HydrophobicContact CB-CB 4.3Å; V52-A84 PolarHBondContact N-O 3.12Å; V52-A84 PolarHBondContact O-N 3.25Å; V52-I108 HydrophobicContact CG2-CD1 3.99Å; V52-L122 HydrophobicContact CB-CD2 4.46Å; V52-L122 HydrophobicContact CG1-CD2 3.88Å; V52-L122 HydrophobicContact CG2-CD1 4.33Å; V52-L122 HydrophobicContact CG2-CD2 4.2Å; V52-L129 HydrophobicContact CG2-CD1 4.17Å; V52-L129 HydrophobicContact CG2-CD2 4.03Å; V52-L129 HydrophobicContact CG2-CG 4.41Å
53W92.7Very high80.6Confident44 Ų4468.7 Ų68.717%0.16734%0.344CS..EExtended strand (participates in β ladder)trans-110140-179.9-48.685.2000109.7M32 L33 T35 I37 V51 L80 K81 T82M32-W53 WeakPolarHBondContact CA-O 3.49Å; L33-W53 HydrophobicContact CB-CB 4.28Å; L33-W53 PolarHBondContact N-O 3.39Å; L33-W53 PolarHBondContact O-N 2.92Å; T35-W53 PolarHBondContact OG1-NE1 3.26Å; I37-W53 HydrophobicContact CD1-CH2 4.42Å; I37-W53 HydrophobicContact CD1-CZ2 4.08Å; V51-W53 HydrophobicContact CB-CZ2 4Å; V51-W53 HydrophobicContact CG1-CD2 3.92Å; V51-W53 VanDerWaalsContact CG1-CE2 3.42Å; V51-W53 HydrophobicContact CG1-CE3 4.43Å; V51-W53 HydrophobicContact CG1-CG 4.44Å; V51-W53 HydrophobicContact CG1-CH2 4.1Å; V51-W53 HydrophobicContact CG1-CZ2 3.54Å; V51-W53 HydrophobicContact CG2-CZ2 4.49Å; W53-L80 HydrophobicContact CB-CB 4.15Å; W53-L80 HydrophobicContact CB-CD1 4.14Å; W53-L80 HydrophobicContact CD2-CB 4.47Å; W53-L80 HydrophobicContact CE3-CB 4.03Å; W53-L80 HydrophobicContact CG-CD1 4.49Å; W53-K81 WeakPolarHBondContact CA-O 3.05Å; W53-T82 VanDerWaalsContact CZ3-OG1 3.28Å; W53-T82 WeakPolarHBondContact CZ3-OG1 3.5Å
54S89.7Confident79.1Confident23 Ų2371.6 Ų71.616%0.16136%0.36CS..EExtended strand (participates in β ladder)trans-80.9124.9167-1780000108.7E30 K81E30-S54 PolarHBondContact OE2-OG 3.44Å; S54-K81 PolarHBondContact N-O 3.34Å
55V87.5Confident77.8Confident45 Ų4564.3 Ų64.327%0.27334%0.336SS..EExtended strand (participates in β ladder)trans-103.5115.2177.7-174.20000107.8S31 L33 L80S31-V55 WeakPolarHBondContact O-CA 3.2Å; S31-V55 WeakPolarHBondContact O-CB 3.27Å; S31-V55 WeakPolarHBondContact O-CG2 3.24Å; S31-V55 PolarHBondContact O-N 3Å; L33-V55 HydrophobicContact CB-CG2 3.63Å; V55-L80 HydrophobicContact CG2-CD1 4.41Å; V55-L80 HydrophobicContact CG2-CD2 4.46Å
56P80.8Confident75.8Confident48 Ų4859.1 Ų59.131%0.31233%0.329SS..  trans-62.4149178.926.4-33.2000110.4I78P56-I78 HydrophobicContact CG-CG2 4.26Å
57H75.1Confident74Confident82 Ų8266.9 Ų66.938%0.3837%0.369SS..  trans-68139176.6-157.463.6000109.3S59 E60 A61H57-S59 PolarHBondContact CD2-OG 2.77Å; H57-S59 VanDerWaalsContact CD2-OG 3.29Å; H57-S59 PolarHBondContact O-N 3.2Å; H57-E60 HydrophobicContact CB-CG 4.49Å; H57-E60 WeakPolarHBondContact O-CB 3.39Å; H57-E60 PolarHBondContact O-N 2.99Å; H57-A61 PolarHBondContact O-N 2.74Å
58P70.3Confident71.7Confident92 Ų9265.3 Ų65.360%0.59737%0.372SS*.Hα-helixtrans-57.7-23.1-178.918.5-31.4000114E60 A61 T62P58-E60 VanDerWaalsContact C-N 3.31Å; P58-A61 PolarHBondContact O-N 2.81Å; P58-T62 PolarHBondContact O-N 2.78Å; P58-T62 PolarHBondContact O-OG1 3.4Å
59S67.2Low69.5Low68 Ų6870.2 Ų70.248%0.47641%0.406SS..Hα-helixtrans-68.7-28172.870.30000113.3H57 T62 T63H57-S59 PolarHBondContact CD2-OG 2.77Å; H57-S59 VanDerWaalsContact CD2-OG 3.29Å; H57-S59 PolarHBondContact O-N 3.2Å; S59-T62 PolarHBondContact O-OG1 3.06Å; S59-T62 VanDerWaalsContact O-OG1 3.06Å; S59-T63 PolarHBondContact O-OG1 2.79Å
60E59.4Low67.2Low88 Ų8873.3 Ų73.341%0.41143%0.429SS..Hα-helixtrans-79.7-31.9177.3-64.6176.2173.100111.3H57 P58 T62 T63H57-E60 HydrophobicContact CB-CG 4.49Å; H57-E60 WeakPolarHBondContact O-CB 3.39Å; H57-E60 PolarHBondContact O-N 2.99Å; P58-E60 VanDerWaalsContact C-N 3.31Å; E60-T62 PolarHBondContact O-N 2.64Å; E60-T63 PolarHBondContact O-N 2.86Å
61A57.3Low64.9Low34 Ų3480.3 Ų80.328%0.28147%0.466SS..Hα-helixtrans-65.1-29.5176.700000112.5H57 P58 I78H57-A61 PolarHBondContact O-N 2.74Å; P58-A61 PolarHBondContact O-N 2.81Å; A61-I78 HydrophobicContact CB-CD1 4Å
62T56.7Low62.7Low92 Ų9288.4 Ų88.456%0.56451%0.508SS*.Hα-helixtrans-82.7-28-179.239.30000113.3P58 S59 E60 N64 E65P58-T62 PolarHBondContact O-N 2.78Å; P58-T62 PolarHBondContact O-OG1 3.4Å; S59-T62 PolarHBondContact O-OG1 3.06Å; S59-T62 VanDerWaalsContact O-OG1 3.06Å; E60-T62 PolarHBondContact O-N 2.64Å; T62-N64 VanDerWaalsContact C-N 3.3Å; T62-N64 PolarHBondContact O-N 3.14Å; T62-E65 PolarHBondContact O-N 3.08Å
63T54.3Low60.8Low96 Ų9692.6 Ų92.659%0.58953%0.526SS*.Hα-helixtrans-65.6-33.3-178.5-39.20000112.3S59 E60 E65 S66S59-T63 PolarHBondContact O-OG1 2.79Å; E60-T63 PolarHBondContact O-N 2.86Å; T63-E65 VanDerWaalsContact C-N 3.31Å; T63-E65 PolarHBondContact O-N 3.37Å; T63-S66 PolarHBondContact O-OG 3.42Å; T63-S66 VanDerWaalsContact O-OG 3.1Å
64N51.5Low59Low155 Ų15598.7 Ų98.783%0.82956%0.559SS**THydrogen-bonded Turntrans-79.1-11.3179.6-69.2-7.7000114T62T62-N64 VanDerWaalsContact C-N 3.3Å; T62-N64 PolarHBondContact O-N 3.14Å
65E53.8Low58Low77 Ų77105.4 Ų105.436%0.3659%0.587SS.*THydrogen-bonded Turntrans-1051-176.6-72.7-163.5175.700114.1T62 T63 L67 K73T62-E65 PolarHBondContact O-N 3.08Å; T63-E65 VanDerWaalsContact C-N 3.31Å; T63-E65 PolarHBondContact O-N 3.37Å; E65-L67 VanDerWaalsContact C-N 3.27Å; E65-L67 PolarHBondContact O-N 3.18Å; E65-K73 PolarHBondContact O-NZ 2.94Å; E65-K73 IonicContact OE2-NZ 3.96Å
66S44.4Very low57.5Low87 Ų87110.6 Ų110.661%0.60861%0.608SS**THydrogen-bonded Turntrans-79.759.1-17660.90000113.7T63T63-S66 PolarHBondContact O-OG 3.42Å; T63-S66 VanDerWaalsContact O-OG 3.1Å
67L48.3Very low57.5Low177 Ų177114.4 Ų114.493%0.92763%0.633SS**THydrogen-bonded Turntrans-155.47.9168.7-104146000116.7E65E65-L67 VanDerWaalsContact C-N 3.27Å; E65-L67 PolarHBondContact O-N 3.18Å
68S44.4Very low57.7Low78 Ų78115.6 Ų115.655%0.54564%0.641SS.*  trans-126.296.4172.357.90000112.3K73S68-K73 WeakPolarHBondContact O-CE 3.47Å; S68-K73 VanDerWaalsContact OG-CE 3.32Å; S68-K73 WeakPolarHBondContact OG-CE 3.29Å
69S46.1Very low58.4Low105 Ų105119.2 Ų119.273%0.73465%0.65SS**  trans-64.9141.6160.450.10000110.1
70N46.9Very low59.5Low148 Ų148118.2 Ų118.279%0.79164%0.639SS**SBendtrans69.681.6171.4-59.5-10.4000115.7
71N47.5Very low60.9Low147 Ų147122 Ų12279%0.78665%0.654SS**SBend178.8149.3129.4-88.3-31.5000106.9K73N71-K73 PolarHBondContact O-N 2.83Å
72I49.6Very low62.5Low170 Ų170123.6 Ų123.687%0.87266%0.661SS**  trans-4298.8177.4-61.6161.1000108.3M74I72-M74 PolarHBondContact O-N 2.79Å
73K54Low64.1Low89 Ų89120.9 Ų120.939%0.38764%0.641SS.*  trans-7490.6-179.8-80.7-174.4175.7-177.20105.8E65 S68 N71 H75E65-K73 PolarHBondContact O-NZ 2.94Å; E65-K73 IonicContact OE2-NZ 3.96Å; S68-K73 WeakPolarHBondContact O-CE 3.47Å; S68-K73 VanDerWaalsContact OG-CE 3.32Å; S68-K73 WeakPolarHBondContact OG-CE 3.29Å; N71-K73 PolarHBondContact O-N 2.83Å; K73-H75 VanDerWaalsContact C-N 3.35Å; K73-H75 PolarHBondContact O-N 2.85Å
74M54.4Low65.9Low172 Ų172116.6 Ų116.685%0.84762%0.615SS**  trans-50.3109.8155.6-113.1-173.617400105.3I72 Q76I72-M74 PolarHBondContact O-N 2.79Å; M74-Q76 PolarHBondContact O-N 2.98Å
75H68.8Low67.9Low163 Ų163113.2 Ų113.276%0.75560%0.595SS**  trans-54.2109.8172.5-76.7-66.8000107K73K73-H75 VanDerWaalsContact C-N 3.35Å; K73-H75 PolarHBondContact O-N 2.85Å
76Q76.3Confident69.9Low154 Ų154111.7 Ų111.772%0.7259%0.588SS**PPolyproline II helixtrans-63137.8174.9-73.1-172.4-4.900107.6M74 I78M74-Q76 PolarHBondContact O-N 2.98Å; Q76-I78 PolarHBondContact O-N 3.11Å; Q76-I78 VanDerWaalsContact O-N 3.13Å
77P80.8Confident72.3Confident129 Ų129111.1 Ų111.184%0.83858%0.581SS**PPolyproline II helixtrans-58.3123.4177.124.2-32.8000109.2Q79P77-Q79 PolarHBondContact O-N 2.87Å
78I80.8Confident74.4Confident106 Ų106102.8 Ų102.854%0.54454%0.538SS..PPolyproline II helixtrans-78.8120.6177.4-60.1173.4000108.1P56 A61 Q76 L80P56-I78 HydrophobicContact CG-CG2 4.26Å; A61-I78 HydrophobicContact CB-CD1 4Å; Q76-I78 PolarHBondContact O-N 3.11Å; Q76-I78 VanDerWaalsContact O-N 3.13Å; I78-L80 PolarHBondContact O-N 3.45Å
79Q85Confident76.6Confident168 Ų168101.2 Ų101.279%0.78553%0.526SS*.  trans-71113.9172.8-174.86441.100109.8P77P77-Q79 PolarHBondContact O-N 2.87Å
80L89.2Confident78.7Confident48 Ų48100.8 Ų100.825%0.25151%0.512SS..PPolyproline II helixtrans-75146.8175.8-59.3-178.8000111.1L33 W53 V55 I78L33-L80 HydrophobicContact CD2-CD1 3.77Å; W53-L80 HydrophobicContact CB-CB 4.15Å; W53-L80 HydrophobicContact CB-CD1 4.14Å; W53-L80 HydrophobicContact CD2-CB 4.47Å; W53-L80 HydrophobicContact CE3-CB 4.03Å; W53-L80 HydrophobicContact CG-CD1 4.49Å; V55-L80 HydrophobicContact CG2-CD1 4.41Å; V55-L80 HydrophobicContact CG2-CD2 4.46Å; I78-L80 PolarHBondContact O-N 3.45Å
81K89.1Confident80.6Confident167 Ų16794.5 Ų94.573%0.72648%0.482SS*.EExtended strand (participates in β ladder)trans-93.9134.6175.4-69.2-177.7180176.50110.5W53 S54 F83W53-K81 WeakPolarHBondContact CA-O 3.05Å; S54-K81 PolarHBondContact N-O 3.34Å; K81-F83 PolarHBondContact O-N 3.09Å
82T91.5Very high82.6Confident68 Ų6889.7 Ų89.742%0.41746%0.455SS..EExtended strand (participates in β ladder)trans-66.4125.8171.4-55.20000109.7V51 W53 E85V51-T82 HydrophobicContact CG1-CG2 3.71Å; W53-T82 VanDerWaalsContact CZ3-OG1 3.28Å; W53-T82 WeakPolarHBondContact CZ3-OG1 3.5Å; T82-E85 HydrophobicContact CG2-CB 4.22Å; T82-E85 HydrophobicContact CG2-CG 4.3Å
83F89.7Confident84.6Confident35 Ų3582.8 Ų82.815%0.15442%0.42CS..EExtended strand (participates in β ladder)trans-95-44.9175.5-179.1-94000111.5M32 V52 K81 L122 H127M32-F83 HydrophobicContact CE-CD1 4.09Å; M32-F83 HydrophobicContact CE-CD2 4.12Å; M32-F83 HydrophobicContact CE-CE1 3.6Å; M32-F83 HydrophobicContact CE-CE2 3.6Å; M32-F83 HydrophobicContact CE-CG 4.32Å; M32-F83 HydrophobicContact CE-CZ 3.29Å; M32-F83 HydrophobicContact SD-CD1 4.06Å; M32-F83 HydrophobicContact SD-CE1 3.95Å; M32-F83 HydrophobicContact SD-CG 4.49Å; M32-F83 HydrophobicContact SD-CZ 4.26Å; V52-F83 HydrophobicContact CG1-CB 4.38Å; V52-F83 HydrophobicContact CG1-CD1 4.25Å; V52-F83 WeakPolarHBondContact O-CA 3.33Å; V52-F83 WeakPolarHBondContact O-CB 3.35Å; V52-F83 PolarHBondContact O-N 3.17Å; K81-F83 PolarHBondContact O-N 3.09Å; F83-L122 HydrophobicContact CD1-CD1 4.14Å; F83-L122 HydrophobicContact CD1-CD2 4.22Å; F83-L122 HydrophobicContact CE1-CD1 3.99Å; F83-L122 HydrophobicContact CE1-CD2 3.98Å; F83-L122 HydrophobicContact CE1-CG 4.26Å; F83-H127 AromaticContact CD2-ND1 3.83Å; F83-H127 HydrophobicContact CE1-CB 4.33Å; F83-H127 AromaticContact CE1-ND1 3.55Å; F83-H127 AromaticContact CE2-CE1 3.45Å; F83-H127 VanDerWaalsContact CE2-CE1 3.45Å; F83-H127 WeakPolarHBondContact CE2-CE1 3.31Å; F83-H127 AromaticContact CE2-ND1 2.99Å; F83-H127 WeakPolarHBondContact CE2-ND1 3.36Å; F83-H127 HydrophobicContact CZ-CB 4.43Å; F83-H127 AromaticContact CZ-CE1 3.43Å; F83-H127 VanDerWaalsContact CZ-CE1 3.43Å; F83-H127 WeakPolarHBondContact CZ-CE1 3.25Å; F83-H127 AromaticContact CZ-CG 3.9Å; F83-H127 AromaticContact CZ-ND1 2.83Å; F83-H127 WeakPolarHBondContact CZ-ND1 3.33Å
84A92.3Very high86.6Confident5 Ų578.7 Ų78.74%0.04140%0.402CS..EExtended strand (participates in β ladder)trans-152.2148.8177.400000109.9V52 L122 H127 L129V52-A84 HydrophobicContact CB-CB 4.3Å; V52-A84 PolarHBondContact N-O 3.12Å; V52-A84 PolarHBondContact O-N 3.25Å; A84-L122 HydrophobicContact CB-CD1 3.56Å; A84-H127 VanDerWaalsContact CB-O 3.24Å; A84-H127 WeakPolarHBondContact CB-O 3.29Å; A84-L129 HydrophobicContact CB-CD1 4.49Å; A84-L129 HydrophobicContact CB-CG 4.16Å
85E94.1Very high88.5Confident85 Ų8572.9 Ų72.940%0.39738%0.381SS..EExtended strand (participates in β ladder)trans-147.2152.2176.558.3-179.7-159.700111.6R49 L50 V51 T82R49-E85 VanDerWaalsContact CZ-CD 3.45Å; R49-E85 IonicContact CZ-OE1 3.48Å; R49-E85 IonicContact CZ-OE2 2.64Å; R49-E85 IonicContact NH1-OE1 3.52Å; R49-E85 IonicContact NH1-OE2 3.05Å; R49-E85 PolarHBondContact NH1-OE2 3.32Å; R49-E85 IonicContact NH2-OE1 3.66Å; R49-E85 PolarHBondContact NH2-OE1 3.44Å; R49-E85 IonicContact NH2-OE2 2.74Å; R49-E85 PolarHBondContact NH2-OE2 2.97Å; L50-E85 CarbonylContact O-C 3.49Å; L50-E85 VanDerWaalsContact O-CA 3.27Å; L50-E85 WeakPolarHBondContact O-CA 3.18Å; V51-E85 HydrophobicContact CG1-CB 4.37Å; V51-E85 HydrophobicContact CG2-CB 4.2Å; T82-E85 HydrophobicContact CG2-CB 4.22Å; T82-E85 HydrophobicContact CG2-CG 4.3Å
86I94.2Very high89.7Confident45 Ų4566 Ų6623%0.23135%0.352CS..EExtended strand (participates in β ladder)trans-143.2139.5172.4-171.2159.7000109.8R49 L50 Y120 L129R49-I86 WeakPolarHBondContact CA-O 3.18Å; L50-I86 HydrophobicContact CB-CG2 3.84Å; L50-I86 HydrophobicContact CD2-CG2 4.2Å; L50-I86 HydrophobicContact CG-CG2 4.42Å; L50-I86 PolarHBondContact N-O 2.84Å; L50-I86 PolarHBondContact O-N 3.17Å; I86-Y120 HydrophobicContact CD1-CD1 4.14Å; I86-Y120 HydrophobicContact CD1-CE1 3.79Å; I86-Y120 HydrophobicContact CG1-CE1 4.45Å; I86-Y120 HydrophobicContact CG2-CD1 4.13Å; I86-Y120 HydrophobicContact CG2-CE1 3.97Å; I86-L129 HydrophobicContact CB-CB 4.03Å; I86-L129 HydrophobicContact CB-CD1 4.23Å; I86-L129 HydrophobicContact CG2-CB 3.83Å; I86-L129 HydrophobicContact CG2-CD1 3.64Å; I86-L129 HydrophobicContact CG2-CG 4.4Å
87T94.4Very high90.7Very high74 Ų7462.3 Ų62.345%0.45434%0.336SS..EExtended strand (participates in β ladder)trans-78.7126.1174.7-56.50000109.2F47F47-T87 HydrophobicContact CB-CG2 3.99Å; F47-T87 HydrophobicContact CD1-CG2 3.79Å; F47-T87 HydrophobicContact CG-CG2 4.21Å
88L93Very high91.4Very high3 Ų356.6 Ų56.62%0.01630%0.3CS..PPolyproline II helixtrans-75.1153.3173.7-61.4179.3000110.1S48 L50 P94 V110 Y120S48-L88 WeakPolarHBondContact O-CB 3.28Å; S48-L88 PolarHBondContact O-N 2.88Å; L50-L88 HydrophobicContact CB-CD2 4.25Å; L88-P94 HydrophobicContact CD1-CB 4.04Å; L88-P94 HydrophobicContact CD1-CG 3.94Å; L88-V110 HydrophobicContact CD1-CG1 4.3Å; L88-Y120 HydrophobicContact CD2-CE2 3.97Å; L88-Y120 VanDerWaalsContact CD2-OH 3.23Å; L88-Y120 WeakPolarHBondContact CD2-OH 3.29Å
89P90.3Very high92Very high45 Ų4554.3 Ų54.329%0.29229%0.291SS..PPolyproline II helixtrans-56.5147.9179.6-31.643.4000113.1G91 H92P89-G91 PolarHBondContact O-N 3.41Å; P89-H92 WeakPolarHBondContact O-CB 3.09Å; P89-H92 PolarHBondContact O-N 2.97Å; P89-H92 VanDerWaalsContact O-N 3.15Å
90Q90.9Very high92.2Very high95 Ų9547.1 Ų47.144%0.44426%0.258SS..THydrogen-bonded Turntrans-60.1135.7-173.3-165.3175.725.100111.6R45 F47 H92R45-Q90 VanDerWaalsContact CB-NE2 3.34Å; R45-Q90 WeakPolarHBondContact O-CG 2.99Å; R45-Q90 PolarHBondContact O-NE2 3.34Å; F47-Q90 HydrophobicContact CD1-CB 4.14Å; F47-Q90 HydrophobicContact CD1-CG 4.33Å; F47-Q90 HydrophobicContact CE1-CB 3.59Å; F47-Q90 HydrophobicContact CE1-CG 3.81Å; F47-Q90 HydrophobicContact CE2-CG 4.25Å; F47-Q90 HydrophobicContact CZ-CB 4.02Å; F47-Q90 HydrophobicContact CZ-CG 3.76Å; Q90-H92 PolarHBondContact O-N 3.29Å
91G86.8Confident91.8Very high17 Ų1748.6 Ų48.618%0.17527%0.27CS..THydrogen-bonded Turntrans73.5-1.1179.200000114.7R44 S46 P89 E114R44-G91 WeakPolarHBondContact O-CA 3.4Å; S46-G91 PolarHBondContact O-N 3.45Å; P89-G91 PolarHBondContact O-N 3.41Å; G91-E114 VanDerWaalsContact O-OE1 3.14Å
92H89.5Confident91.2Very high46 Ų4641.9 Ų41.921%0.21324%0.244CC..  trans-95.2108.6174.2-71-77.8000110.9P89 Q90 T112 E114P89-H92 WeakPolarHBondContact O-CB 3.09Å; P89-H92 PolarHBondContact O-N 2.97Å; P89-H92 VanDerWaalsContact O-N 3.15Å; Q90-H92 PolarHBondContact O-N 3.29Å; H92-T112 HydrophobicContact CB-CG2 4.16Å; H92-E114 VanDerWaalsContact CA-OE2 3.26Å; H92-E114 WeakPolarHBondContact CA-OE2 3.48Å; H92-E114 IonicContact CG-OE2 3.97Å; H92-E114 IonicContact ND1-OE2 3.45Å; H92-E114 PolarHBondContact ND1-OE2 2.82Å
93L92.4Very high90Very high24 Ų2448.3 Ų48.313%0.12626%0.261CS..  trans-95.6126.2-176.5-58.7173.5000109.7P39 A42 A95 T112 M113 E114P39-L93 HydrophobicContact CG-CD2 4.1Å; A42-L93 HydrophobicContact CB-CD1 3.58Å; A42-L93 HydrophobicContact CB-CD2 4.02Å; A42-L93 HydrophobicContact CB-CG 4.45Å; L93-A95 PolarHBondContact O-N 3.49Å; L93-T112 CarbonylContact O-C 3.59Å; L93-T112 WeakPolarHBondContact O-CA 3.33Å; L93-T112 WeakPolarHBondContact O-CB 3.48Å; L93-M113 HydrophobicContact CB-CB 4.37Å; L93-M113 HydrophobicContact CB-CG 4.04Å; L93-M113 HydrophobicContact CB-SD 3.81Å; L93-M113 HydrophobicContact CD1-SD 3.87Å; L93-M113 PolarHBondContact O-N 3.48Å; L93-E114 PolarHBondContact N-OE2 3.07Å
94P94.7Very high88.9Confident4 Ų450.2 Ų50.23%0.02628%0.278CS..EExtended strand (participates in β ladder)trans-68.5124.217927-32.3000110.1T36 Q38 S48 L88 V110 G111T36-P94 HydrophobicContact CG2-CB 3.78Å; T36-P94 HydrophobicContact CG2-CG 3.88Å; Q38-P94 HydrophobicContact CG-CG 3.92Å; Q38-P94 PolarHBondContact NE2-O 3.13Å; S48-P94 VanDerWaalsContact CB-CD 3.47Å; S48-P94 VanDerWaalsContact OG-CD 3.32Å; S48-P94 WeakPolarHBondContact OG-CD 3.44Å; L88-P94 HydrophobicContact CD1-CB 4.04Å; L88-P94 HydrophobicContact CD1-CG 3.94Å; P94-V110 HydrophobicContact CB-CG1 3.82Å; P94-G111 CarbonylContact C-O 3.48Å; P94-G111 WeakPolarHBondContact CA-O 3.06Å
95A94Very high87.9Confident49 Ų4950.9 Ų50.941%0.40528%0.28SS..EExtended strand (participates in β ladder)trans-97-35.5176.700000112L93 G111 M113 V143L93-A95 PolarHBondContact O-N 3.49Å; A95-G111 PolarHBondContact N-O 2.89Å; A95-M113 HydrophobicContact CB-CG 3.95Å; A95-V143 VanDerWaalsContact CB-O 3.29Å; A95-V143 WeakPolarHBondContact CB-O 3.39Å
96C95.3Very high87.5Confident20 Ų2046.9 Ų46.914%0.13526%0.261CS..EExtended strand (participates in β ladder)trans-148.1160.6179.956.90000111.4G111 V143C96-G111 PolarHBondContact N-O 2.8Å; C96-G111 PolarHBondContact O-N 3.02Å; C96-V143 PolarHBondContact SG-O 2.93Å
97L96.5Very high87.4Confident75 Ų7544.7 Ų44.739%0.39325%0.25SS..EExtended strand (participates in β ladder)trans-136148.5177.37196.9000110.3V99 G109L97-V99 HydrophobicContact CD1-CG2 4.3Å; L97-G109 CarbonylContact C-O 3.53Å; L97-G109 WeakPolarHBondContact CA-O 3.39Å
98A95Very high87.4Confident10 Ų1041.3 Ų41.38%0.08323%0.229CC..EExtended strand (participates in β ladder)trans-135.6140.7172.400000109.4I108 G109 L146 F148A98-I108 CarbonylContact O-C 3.48Å; A98-I108 WeakPolarHBondContact O-CA 3.5Å; A98-G109 PolarHBondContact N-O 2.9Å; A98-G109 PolarHBondContact O-N 3.35Å; A98-L146 HydrophobicContact CB-CB 3.72Å; A98-L146 WeakPolarHBondContact CB-O 3.32Å; A98-F148 HydrophobicContact CB-CD2 4.19Å; A98-F148 HydrophobicContact CB-CE2 4.19Å
99V93.2Very high87.5Confident58 Ų5841.1 Ų41.135%0.35223%0.228SC..EExtended strand (participates in β ladder)trans-117.1130.2175.1-177.10000108V34 L97 I108V34-V99 HydrophobicContact CB-CG2 3.97Å; V34-V99 HydrophobicContact CG1-CG2 4.41Å; V34-V99 HydrophobicContact CG2-CG2 3.92Å; L97-V99 HydrophobicContact CD1-CG2 4.3Å; V99-I108 HydrophobicContact CG2-CG1 4.5Å
100H90.2Very high87.8Confident17 Ų1739 Ų398%0.07921%0.214CC..  trans-65.4134178.9-173.4-83.6000110S102 L107 F148 F174H100-S102 PolarHBondContact CE1-OG 3.06Å; H100-S102 VanDerWaalsContact ND1-CB 3.25Å; H100-S102 WeakPolarHBondContact ND1-CB 3.23Å; H100-S102 PolarHBondContact ND1-N 3.42Å; H100-S102 VanDerWaalsContact ND1-N 3.13Å; H100-S102 PolarHBondContact ND1-OG 2.86Å; H100-S102 PolarHBondContact O-N 2.69Å; H100-L107 HydrophobicContact CB-CB 3.68Å; H100-L107 PolarHBondContact N-O 2.9Å; H100-F148 HydrophobicContact CB-CD1 4.43Å; H100-F148 HydrophobicContact CB-CD2 3.78Å; H100-F148 HydrophobicContact CB-CE2 4.02Å; H100-F148 HydrophobicContact CB-CG 3.99Å; H100-F148 HydrophobicContact CB-CZ 4.46Å; H100-F148 AromaticContact CD2-CD1 3.86Å; H100-F148 AromaticContact CD2-CG 3.67Å; H100-F174 AromaticContact CD2-CD1 3.66Å; H100-F174 AromaticContact CE1-CD1 3.86Å; H100-F174 AromaticContact CE1-CE1 3.67Å; H100-F174 AromaticContact NE2-CD1 3.39Å; H100-F174 WeakPolarHBondContact NE2-CD1 3.49Å; H100-F174 AromaticContact NE2-CE1 3.65Å
101P80Confident88.1Confident79 Ų7934.5 Ų34.551%0.51319%0.193SC..  trans-74.31.6-171.529.4-36.8000114.8
102S77.3Confident88.5Confident26 Ų2633.7 Ų33.718%0.18219%0.185CC..  trans-70.7144.6-179.760.20000111M1 H100 S104 R105M1-S102 WeakPolarHBondContact CE-O 3.42Å; H100-S102 PolarHBondContact CE1-OG 3.06Å; H100-S102 VanDerWaalsContact ND1-CB 3.25Å; H100-S102 WeakPolarHBondContact ND1-CB 3.23Å; H100-S102 PolarHBondContact ND1-N 3.42Å; H100-S102 VanDerWaalsContact ND1-N 3.13Å; H100-S102 PolarHBondContact ND1-OG 2.86Å; H100-S102 PolarHBondContact O-N 2.69Å; S102-S104 VanDerWaalsContact C-N 3.31Å; S102-S104 PolarHBondContact O-N 3.17Å; S102-R105 WeakPolarHBondContact OG-CB 3.05Å; S102-R105 PolarHBondContact OG-N 2.93Å; S102-R105 PolarHBondContact OG-O 3.44Å; S102-R105 VanDerWaalsContact OG-O 3.12Å
103R67.3Low88.6Confident202 Ų20236.1 Ų36.176%0.76220%0.198SC*.SBendtrans-73.9-23.6-179.3-64.3-176.4-179.1178.41.4113.3M1M1-R103 WeakPolarHBondContact CE-O 3.49Å
104S66.1Low88.5Confident75 Ų7538.4 Ų38.452%0.52421%0.208SC..SBendtrans-111.3-11.2-17052.10000114.4S102S102-S104 VanDerWaalsContact C-N 3.31Å; S102-S104 PolarHBondContact O-N 3.17Å
105R71.9Confident88.5Confident19 Ų1938.2 Ų38.27%0.07221%0.206CC..  trans-125.3106-171.1-49.2173170.9-119.6-27.1109.1M1 S102 L107 Y193 I196M1-R105 WeakPolarHBondContact CE-O 3.4Å; S102-R105 WeakPolarHBondContact OG-CB 3.05Å; S102-R105 PolarHBondContact OG-N 2.93Å; S102-R105 PolarHBondContact OG-O 3.44Å; S102-R105 VanDerWaalsContact OG-O 3.12Å; R105-L107 PolarHBondContact O-N 3.24Å; R105-Y193 VanDerWaalsContact NE-CE2 3.33Å; R105-Y193 PolarHBondContact NH1-O 2.86Å; R105-Y193 PolarHBondContact NH2-OH 3.36Å; R105-I196 HydrophobicContact CB-CG2 4.21Å; R105-I196 HydrophobicContact CG-CG2 4.19Å
106G84.6Confident88.5Confident1 Ų137 Ų371%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-79.859.6-175.700000111.9Y3 L122Y3-G106 WeakPolarHBondContact OH-CA 3.39Å; G106-L122 PolarHBondContact O-N 3.04Å
107L92.1Very high88.5Confident0 Ų036 Ų360%019%0.185CC..EExtended strand (participates in β ladder)trans-83.6130.9177.3-64.7172.3000109.9H100 R105 V119 Y120 F121 I132 F148 F174 I196H100-L107 HydrophobicContact CB-CB 3.68Å; H100-L107 PolarHBondContact N-O 2.9Å; R105-L107 PolarHBondContact O-N 3.24Å; L107-V119 HydrophobicContact CD2-CG1 4.47Å; L107-Y120 CarbonylContact C-O 3.49Å; L107-Y120 WeakPolarHBondContact CA-O 3.19Å; L107-F121 HydrophobicContact CD2-CB 4.24Å; L107-F121 HydrophobicContact CD2-CD2 3.95Å; L107-I132 HydrophobicContact CD2-CD1 3.18Å; L107-F148 HydrophobicContact CB-CE1 4.4Å; L107-F148 HydrophobicContact CB-CZ 4.09Å; L107-F174 HydrophobicContact CD1-CB 3.58Å; L107-F174 HydrophobicContact CD1-CD1 3.44Å; L107-F174 VanDerWaalsContact CD1-CD1 3.44Å; L107-F174 HydrophobicContact CD1-CD2 3.62Å; L107-F174 HydrophobicContact CD1-CE1 4.04Å; L107-F174 HydrophobicContact CD1-CE2 4.18Å; L107-F174 HydrophobicContact CD1-CG 3.21Å; L107-F174 HydrophobicContact CD1-CZ 4.4Å; L107-I196 HydrophobicContact CD1-CG1 4.41Å; L107-I196 HydrophobicContact CD2-CD1 3.84Å; L107-I196 HydrophobicContact CD2-CG1 4.4Å
108I94.9Very high88.4Confident2 Ų232.5 Ų32.51%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-131.3117.7-175.4-59.3163.2000107.5V34 L50 V52 A98 V99 V110 V119 Y120 L129V34-I108 HydrophobicContact CG1-CD1 3.88Å; V34-I108 HydrophobicContact CG1-CG1 4.26Å; V34-I108 HydrophobicContact CG1-CG2 3.8Å; V34-I108 HydrophobicContact CG2-CD1 3.84Å; V34-I108 HydrophobicContact CG2-CG1 4.23Å; L50-I108 HydrophobicContact CD1-CG2 4.08Å; L50-I108 HydrophobicContact CD2-CG2 3.99Å; V52-I108 HydrophobicContact CG2-CD1 3.99Å; A98-I108 CarbonylContact O-C 3.48Å; A98-I108 WeakPolarHBondContact O-CA 3.5Å; V99-I108 HydrophobicContact CG2-CG1 4.5Å; I108-V110 HydrophobicContact CG2-CG2 4.35Å; I108-V119 CarbonylContact O-C 3.6Å; I108-V119 WeakPolarHBondContact O-CA 3.31Å; I108-Y120 PolarHBondContact N-O 2.86Å; I108-Y120 PolarHBondContact O-N 3.23Å; I108-L129 HydrophobicContact CD1-CD2 3.75Å
109G95.1Very high88.4Confident0 Ų032 Ų320%016%0.163CC..EExtended strand (participates in β ladder)trans-93139170.600000110.5L97 A98 D118L97-G109 CarbonylContact C-O 3.53Å; L97-G109 WeakPolarHBondContact CA-O 3.39Å; A98-G109 PolarHBondContact N-O 2.9Å; A98-G109 PolarHBondContact O-N 3.35Å; G109-D118 CarbonylContact C-O 3.54Å; G109-D118 WeakPolarHBondContact CA-O 3.46Å
110V96.7Very high88.4Confident0 Ų029.5 Ų29.50%015%0.147CC..EExtended strand (participates in β ladder)trans-127.4125.5175.1-1790000108.2L50 L88 P94 I108 V117 D118 Y120 L146L50-V110 HydrophobicContact CD1-CG2 4.08Å; L50-V110 HydrophobicContact CD2-CG2 4.03Å; L88-V110 HydrophobicContact CD1-CG1 4.3Å; P94-V110 HydrophobicContact CB-CG1 3.82Å; I108-V110 HydrophobicContact CG2-CG2 4.35Å; V110-V117 CarbonylContact O-C 3.53Å; V110-V117 WeakPolarHBondContact O-CA 3.23Å; V110-D118 PolarHBondContact N-O 3.35Å; V110-D118 PolarHBondContact O-N 3.13Å; V110-Y120 HydrophobicContact CB-CE2 4.46Å; V110-Y120 HydrophobicContact CG2-CD2 4.16Å; V110-Y120 HydrophobicContact CG2-CE2 4.13Å; V110-L146 VanDerWaalsContact C-CD1 3.41Å
111G96.1Very high88.5Confident0 Ų028.7 Ų28.70%014%0.143CC..EExtended strand (participates in β ladder)trans-106.9140.2174.300000108.6P94 A95 C96P94-G111 CarbonylContact C-O 3.48Å; P94-G111 WeakPolarHBondContact CA-O 3.06Å; A95-G111 PolarHBondContact N-O 2.89Å; C96-G111 PolarHBondContact N-O 2.8Å; C96-G111 PolarHBondContact O-N 3.02Å
112T94.8Very high89.1Confident1 Ų125.1 Ų25.11%0.00612%0.12CC..EExtended strand (participates in β ladder)trans-110164.2-174.164.60000112.2H92 L93 E114 G115 R116 V143H92-T112 HydrophobicContact CB-CG2 4.16Å; L93-T112 CarbonylContact O-C 3.59Å; L93-T112 WeakPolarHBondContact O-CA 3.33Å; L93-T112 WeakPolarHBondContact O-CB 3.48Å; T112-E114 WeakPolarHBondContact CB-OE2 3.33Å; T112-E114 PolarHBondContact O-N 3.06Å; T112-G115 PolarHBondContact O-N 3.16Å; T112-R116 HydrophobicContact CG2-CB 4.34Å; T112-R116 HydrophobicContact CG2-CG 4.4Å; T112-R116 PolarHBondContact N-O 3.49Å; T112-R116 VanDerWaalsContact OG1-CA 3.31Å; T112-R116 WeakPolarHBondContact OG1-CA 3.41Å; T112-R116 WeakPolarHBondContact OG1-CB 3.42Å; T112-R116 PolarHBondContact OG1-N 2.75Å; T112-R116 PolarHBondContact OG1-O 2.93Å; T112-V143 PolarHBondContact O-N 2.94Å; T112-V143 VanDerWaalsContact O-N 3.08Å
113M92.4Very high89.4Confident97 Ų9724 Ų2448%0.47811%0.112SC..THydrogen-bonded Turntrans-66.2-21.6175-66.9-173.871.300112.5L93 A95 G115 F142L93-M113 HydrophobicContact CB-CB 4.37Å; L93-M113 HydrophobicContact CB-CG 4.04Å; L93-M113 HydrophobicContact CB-SD 3.81Å; L93-M113 HydrophobicContact CD1-SD 3.87Å; L93-M113 PolarHBondContact O-N 3.48Å; A95-M113 HydrophobicContact CB-CG 3.95Å; M113-G115 VanDerWaalsContact C-N 3.3Å; M113-F142 HydrophobicContact CB-CB 4.45Å; M113-F142 WeakPolarHBondContact O-CA 3.24Å; M113-F142 VanDerWaalsContact O-CB 3.28Å; M113-F142 WeakPolarHBondContact O-CB 3.33Å; M113-F142 PolarHBondContact O-N 3.33Å
114E90.9Very high89.9Confident71 Ų7116.8 Ų16.833%0.3329%0.091SC..THydrogen-bonded Turntrans-89.45.5-179.7-5869.4-146.200112.7G91 H92 L93 T112 R116G91-E114 VanDerWaalsContact O-OE1 3.14Å; H92-E114 VanDerWaalsContact CA-OE2 3.26Å; H92-E114 WeakPolarHBondContact CA-OE2 3.48Å; H92-E114 IonicContact CG-OE2 3.97Å; H92-E114 IonicContact ND1-OE2 3.45Å; H92-E114 PolarHBondContact ND1-OE2 2.82Å; L93-E114 PolarHBondContact N-OE2 3.07Å; T112-E114 WeakPolarHBondContact CB-OE2 3.33Å; T112-E114 PolarHBondContact O-N 3.06Å; E114-R116 VanDerWaalsContact C-N 3.3Å; E114-R116 PolarHBondContact O-N 3.03Å
115G93.3Very high90.4Very high0 Ų016.7 Ų16.70%09%0.091CC..SBendtrans80.39.9-18000000114.4T112 M113 A138 H139 I141T112-G115 PolarHBondContact O-N 3.16Å; M113-G115 VanDerWaalsContact C-N 3.3Å; G115-A138 WeakPolarHBondContact O-CB 3.38Å; G115-A138 PolarHBondContact O-N 3.46Å; G115-A138 VanDerWaalsContact O-N 3.14Å; G115-H139 WeakPolarHBondContact CA-O 3.42Å; G115-H139 PolarHBondContact O-N 3.05Å; G115-I141 WeakPolarHBondContact CA-O 3.38Å
116R94.1Very high90.9Very high23 Ų2319.7 Ų19.79%0.08711%0.111CC..  trans-83.4144.5172164.3-178177.7158.510.1111.4T112 E114 D118 T134 L135 N136T112-R116 HydrophobicContact CG2-CB 4.34Å; T112-R116 HydrophobicContact CG2-CG 4.4Å; T112-R116 PolarHBondContact N-O 3.49Å; T112-R116 VanDerWaalsContact OG1-CA 3.31Å; T112-R116 WeakPolarHBondContact OG1-CA 3.41Å; T112-R116 WeakPolarHBondContact OG1-CB 3.42Å; T112-R116 PolarHBondContact OG1-N 2.75Å; T112-R116 PolarHBondContact OG1-O 2.93Å; E114-R116 VanDerWaalsContact C-N 3.3Å; E114-R116 PolarHBondContact O-N 3.03Å; R116-D118 IonicContact CZ-OD1 3.26Å; R116-D118 VanDerWaalsContact CZ-OD1 3.26Å; R116-D118 IonicContact CZ-OD2 3.53Å; R116-D118 IonicContact NE-OD1 2.84Å; R116-D118 PolarHBondContact NE-OD1 2.9Å; R116-D118 IonicContact NE-OD2 2.88Å; R116-D118 PolarHBondContact NE-OD2 2.94Å; R116-D118 IonicContact NH2-OD1 2.79Å; R116-D118 PolarHBondContact NH2-OD1 3.42Å; R116-D118 IonicContact NH2-OD2 3.55Å; R116-T134 VanDerWaalsContact CZ-CG2 3.49Å; R116-T134 PolarHBondContact NH2-OG1 3.49Å; R116-L135 CarbonylContact C-O 3.58Å; R116-L135 VanDerWaalsContact CA-O 3.26Å; R116-L135 WeakPolarHBondContact CA-O 3.49Å; R116-N136 WeakPolarHBondContact CB-O 3.39Å
117V95.5Very high90.8Very high0 Ų023.4 Ų23.40%013%0.128CC..EExtended strand (participates in β ladder)trans-123.8128.3173.81760000109.9V110 L135 A138 V143 L146 L176V110-V117 CarbonylContact O-C 3.53Å; V110-V117 WeakPolarHBondContact O-CA 3.23Å; V117-L135 HydrophobicContact CB-CB 4.39Å; V117-L135 PolarHBondContact N-O 2.76Å; V117-L135 PolarHBondContact O-N 3.09Å; V117-A138 HydrophobicContact CB-CB 4.06Å; V117-A138 HydrophobicContact CG2-CB 3.63Å; V117-V143 HydrophobicContact CG2-CG1 4.37Å; V117-V143 HydrophobicContact CG2-CG2 3.95Å; V117-L146 HydrophobicContact CG1-CD1 4.38Å; V117-L146 HydrophobicContact CG1-CD2 4.17Å; V117-L146 HydrophobicContact CG2-CD2 4.1Å; V117-L176 HydrophobicContact CG1-CD2 3.44Å; V117-L176 VanDerWaalsContact CG1-CD2 3.44Å
118D95.1Very high90.6Very high1 Ų125.6 Ų25.61%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-119.4140.9177.4-64.7-54.4000110.2G109 V110 R116 Y120 T134G109-D118 CarbonylContact C-O 3.54Å; G109-D118 WeakPolarHBondContact CA-O 3.46Å; V110-D118 PolarHBondContact N-O 3.35Å; V110-D118 PolarHBondContact O-N 3.13Å; R116-D118 IonicContact CZ-OD1 3.26Å; R116-D118 VanDerWaalsContact CZ-OD1 3.26Å; R116-D118 IonicContact CZ-OD2 3.53Å; R116-D118 IonicContact NE-OD1 2.84Å; R116-D118 PolarHBondContact NE-OD1 2.9Å; R116-D118 IonicContact NE-OD2 2.88Å; R116-D118 PolarHBondContact NE-OD2 2.94Å; R116-D118 IonicContact NH2-OD1 2.79Å; R116-D118 PolarHBondContact NH2-OD1 3.42Å; R116-D118 IonicContact NH2-OD2 3.55Å; D118-Y120 HydrophobicContact CB-CD2 4.29Å; D118-Y120 HydrophobicContact CB-CE2 3.48Å; D118-Y120 VanDerWaalsContact CB-CE2 3.48Å; D118-T134 WeakPolarHBondContact OD1-CB 3.45Å; D118-T134 VanDerWaalsContact OD1-CG2 3.27Å; D118-T134 WeakPolarHBondContact OD1-CG2 3.34Å; D118-T134 PolarHBondContact OD1-OG1 2.93Å
119V94.7Very high90.4Very high1 Ų126 Ų261%0.00615%0.145CC..EExtended strand (participates in β ladder)trans-120.9128171.5177.40000110.4L107 I108 I132 Y133 F148 L176L107-V119 HydrophobicContact CD2-CG1 4.47Å; I108-V119 CarbonylContact O-C 3.6Å; I108-V119 WeakPolarHBondContact O-CA 3.31Å; V119-I132 HydrophobicContact CG1-CD1 4.01Å; V119-I132 PolarHBondContact O-N 3.3Å; V119-Y133 HydrophobicContact CB-CD1 3.78Å; V119-Y133 HydrophobicContact CB-CE1 3.41Å; V119-Y133 VanDerWaalsContact CB-CE1 3.41Å; V119-Y133 HydrophobicContact CB-CE2 4.45Å; V119-Y133 HydrophobicContact CB-CG 4.46Å; V119-Y133 HydrophobicContact CG1-CD1 4.38Å; V119-Y133 HydrophobicContact CG1-CE1 3.91Å; V119-Y133 HydrophobicContact CG2-CD1 4.21Å; V119-Y133 HydrophobicContact CG2-CE1 3.41Å; V119-Y133 VanDerWaalsContact CG2-CE1 3.41Å; V119-Y133 HydrophobicContact CG2-CE2 3.95Å; V119-Y133 VanDerWaalsContact CG2-OH 3.26Å; V119-Y133 WeakPolarHBondContact CG2-OH 3.2Å; V119-Y133 PolarHBondContact N-O 2.76Å; V119-F148 HydrophobicContact CG1-CE1 4.45Å; V119-F148 HydrophobicContact CG1-CZ 4.28Å; V119-L176 HydrophobicContact CG2-CD2 3.89Å
120Y94.2Very high90.2Very high5 Ų527.2 Ų27.22%0.0215%0.151CC..EExtended strand (participates in β ladder)trans-113146.5-179.8-61.4-88.9000110.9L50 I86 L88 L107 I108 V110 D118 I130 N131L50-Y120 HydrophobicContact CD2-CD2 3.55Å; L50-Y120 HydrophobicContact CD2-CE2 4.09Å; L50-Y120 HydrophobicContact CD2-CG 3.83Å; I86-Y120 HydrophobicContact CD1-CD1 4.14Å; I86-Y120 HydrophobicContact CD1-CE1 3.79Å; I86-Y120 HydrophobicContact CG1-CE1 4.45Å; I86-Y120 HydrophobicContact CG2-CD1 4.13Å; I86-Y120 HydrophobicContact CG2-CE1 3.97Å; L88-Y120 HydrophobicContact CD2-CE2 3.97Å; L88-Y120 VanDerWaalsContact CD2-OH 3.23Å; L88-Y120 WeakPolarHBondContact CD2-OH 3.29Å; L107-Y120 CarbonylContact C-O 3.49Å; L107-Y120 WeakPolarHBondContact CA-O 3.19Å; I108-Y120 PolarHBondContact N-O 2.86Å; I108-Y120 PolarHBondContact O-N 3.23Å; V110-Y120 HydrophobicContact CB-CE2 4.46Å; V110-Y120 HydrophobicContact CG2-CD2 4.16Å; V110-Y120 HydrophobicContact CG2-CE2 4.13Å; D118-Y120 HydrophobicContact CB-CD2 4.29Å; D118-Y120 HydrophobicContact CB-CE2 3.48Å; D118-Y120 VanDerWaalsContact CB-CE2 3.48Å; Y120-I130 CarbonylContact C-O 3.34Å; Y120-I130 VanDerWaalsContact CA-O 3.24Å; Y120-I130 WeakPolarHBondContact CA-O 3.43Å; Y120-N131 HydrophobicContact CD1-CB 3.94Å; Y120-N131 HydrophobicContact CE1-CB 3.71Å; Y120-N131 WeakPolarHBondContact CE1-ND2 3.39Å
121F92.2Very high90Very high0 Ų029.7 Ų29.70%016%0.164CC..EExtended strand (participates in β ladder)trans-108.5124.3169.5177.1-110.2000109.5L107 S123 L129 I130 I132 I196 L199L107-F121 HydrophobicContact CD2-CB 4.24Å; L107-F121 HydrophobicContact CD2-CD2 3.95Å; F121-S123 PolarHBondContact O-N 3.42Å; F121-L129 WeakPolarHBondContact O-CA 3.44Å; F121-I130 PolarHBondContact N-O 3.42Å; F121-I130 PolarHBondContact O-N 2.97Å; F121-I132 HydrophobicContact CB-CD1 3.55Å; F121-I132 HydrophobicContact CB-CG1 3.72Å; F121-I196 HydrophobicContact CD2-CG2 4.17Å; F121-I196 HydrophobicContact CE2-CG2 3.87Å; F121-L199 HydrophobicContact CD1-CB 4.03Å; F121-L199 HydrophobicContact CE1-CB 3.92Å; F121-L199 HydrophobicContact CZ-CB 4.47Å
122L91.2Very high89.7Confident3 Ų330.9 Ų30.92%0.01617%0.171CC..EExtended strand (participates in β ladder)trans-82.1109167.3-177.162.8000109.2Y3 M32 V52 F83 A84 G106 P124 L129Y3-L122 HydrophobicContact CE2-CD2 4.43Å; Y3-L122 WeakPolarHBondContact OH-CD2 3.36Å; M32-L122 HydrophobicContact SD-CD2 3.52Å; M32-L122 VanDerWaalsContact SD-CD2 3.52Å; V52-L122 HydrophobicContact CB-CD2 4.46Å; V52-L122 HydrophobicContact CG1-CD2 3.88Å; V52-L122 HydrophobicContact CG2-CD1 4.33Å; V52-L122 HydrophobicContact CG2-CD2 4.2Å; F83-L122 HydrophobicContact CD1-CD1 4.14Å; F83-L122 HydrophobicContact CD1-CD2 4.22Å; F83-L122 HydrophobicContact CE1-CD1 3.99Å; F83-L122 HydrophobicContact CE1-CD2 3.98Å; F83-L122 HydrophobicContact CE1-CG 4.26Å; A84-L122 HydrophobicContact CB-CD1 3.56Å; G106-L122 PolarHBondContact O-N 3.04Å; L122-P124 WeakPolarHBondContact O-CD 3.33Å; L122-L129 HydrophobicContact CB-CD2 3.99Å; L122-L129 HydrophobicContact CD1-CD2 3.93Å; L122-L129 HydrophobicContact CD1-CG 4.23Å
123S85.3Confident89.6Confident3 Ų332.6 Ų32.62%0.02118%0.177CC..EExtended strand (participates in β ladder)trans-74.1119.3176.4178.30000110.6F121 S125 T126 H127 C128F121-S123 PolarHBondContact O-N 3.42Å; S123-S125 VanDerWaalsContact C-N 3.25Å; S123-S125 PolarHBondContact O-N 3.15Å; S123-S125 PolarHBondContact OG-OG 3.09Å; S123-T126 WeakPolarHBondContact CB-OG1 3.5Å; S123-T126 PolarHBondContact OG-N 3Å; S123-T126 PolarHBondContact OG-OG1 3.33Å; S123-H127 WeakPolarHBondContact O-CA 3.28Å; S123-H127 PolarHBondContact O-N 3.02Å; S123-H127 VanDerWaalsContact O-N 3.08Å; S123-C128 PolarHBondContact N-O 3.02Å
124P76.7Confident89.6Confident50 Ų5030.2 Ų30.233%0.32517%0.168SC..THydrogen-bonded Turntrans-67.3-26178.4-19.532.6000113.3L122L122-P124 WeakPolarHBondContact O-CD 3.33Å
125S77.6Confident89.7Confident74 Ų7429.4 Ų29.452%0.51717%0.166SC..THydrogen-bonded Turntrans-87.1-36-17553.70000113S123S123-S125 VanDerWaalsContact C-N 3.25Å; S123-S125 PolarHBondContact O-N 3.15Å; S123-S125 PolarHBondContact OG-OG 3.09Å
126T80.5Confident89.6Confident82 Ų8233.8 Ų33.850%0.50319%0.189SC..THydrogen-bonded Turntrans-106-1.7-174.854.80000113.2S123 C128S123-T126 WeakPolarHBondContact CB-OG1 3.5Å; S123-T126 PolarHBondContact OG-N 3Å; S123-T126 PolarHBondContact OG-OG1 3.33Å; T126-C128 PolarHBondContact O-N 2.91Å; T126-C128 VanDerWaalsContact O-N 3.11Å; T126-C128 PolarHBondContact OG1-SG 3.41Å
127H83.5Confident89.4Confident78 Ų7839.6 Ų39.636%0.36122%0.222SC..THydrogen-bonded Turntrans51.735.5-179.1-60.6-94.7000112.7F83 A84 S123F83-H127 AromaticContact CD2-ND1 3.83Å; F83-H127 HydrophobicContact CE1-CB 4.33Å; F83-H127 AromaticContact CE1-ND1 3.55Å; F83-H127 AromaticContact CE2-CE1 3.45Å; F83-H127 VanDerWaalsContact CE2-CE1 3.45Å; F83-H127 WeakPolarHBondContact CE2-CE1 3.31Å; F83-H127 AromaticContact CE2-ND1 2.99Å; F83-H127 WeakPolarHBondContact CE2-ND1 3.36Å; F83-H127 HydrophobicContact CZ-CB 4.43Å; F83-H127 AromaticContact CZ-CE1 3.43Å; F83-H127 VanDerWaalsContact CZ-CE1 3.43Å; F83-H127 WeakPolarHBondContact CZ-CE1 3.25Å; F83-H127 AromaticContact CZ-CG 3.9Å; F83-H127 AromaticContact CZ-ND1 2.83Å; F83-H127 WeakPolarHBondContact CZ-ND1 3.33Å; A84-H127 VanDerWaalsContact CB-O 3.24Å; A84-H127 WeakPolarHBondContact CB-O 3.29Å; S123-H127 WeakPolarHBondContact O-CA 3.28Å; S123-H127 PolarHBondContact O-N 3.02Å; S123-H127 VanDerWaalsContact O-N 3.08Å
128C88.1Confident89.2Confident46 Ų4639.9 Ų39.931%0.31123%0.225SC..EExtended strand (participates in β ladder)trans-127.5152.7-176.575.70000111.8S123 T126S123-C128 PolarHBondContact N-O 3.02Å; T126-C128 PolarHBondContact O-N 2.91Å; T126-C128 VanDerWaalsContact O-N 3.11Å; T126-C128 PolarHBondContact OG1-SG 3.41Å
129L91.4Very high89.2Confident12 Ų1240 Ų406%0.06323%0.225CC..EExtended strand (participates in β ladder)trans-92126.4172.8-69.9165.6000109.1L50 V52 A84 I86 I108 F121 L122L50-L129 HydrophobicContact CB-CD1 4.49Å; L50-L129 HydrophobicContact CD2-CD1 3.98Å; L50-L129 HydrophobicContact CD2-CD2 4.48Å; L50-L129 HydrophobicContact CG-CD1 3.96Å; V52-L129 HydrophobicContact CG2-CD1 4.17Å; V52-L129 HydrophobicContact CG2-CD2 4.03Å; V52-L129 HydrophobicContact CG2-CG 4.41Å; A84-L129 HydrophobicContact CB-CD1 4.49Å; A84-L129 HydrophobicContact CB-CG 4.16Å; I86-L129 HydrophobicContact CB-CB 4.03Å; I86-L129 HydrophobicContact CB-CD1 4.23Å; I86-L129 HydrophobicContact CG2-CB 3.83Å; I86-L129 HydrophobicContact CG2-CD1 3.64Å; I86-L129 HydrophobicContact CG2-CG 4.4Å; I108-L129 HydrophobicContact CD1-CD2 3.75Å; F121-L129 WeakPolarHBondContact O-CA 3.44Å; L122-L129 HydrophobicContact CB-CD2 3.99Å; L122-L129 HydrophobicContact CD1-CD2 3.93Å; L122-L129 HydrophobicContact CD1-CG 4.23Å
130I90.5Very high89Confident25 Ų2544.4 Ų44.413%0.12825%0.254CS..EExtended strand (participates in β ladder)trans-115124.2179.9-56.7174.6000107.8Y120 F121 I132Y120-I130 CarbonylContact C-O 3.34Å; Y120-I130 VanDerWaalsContact CA-O 3.24Å; Y120-I130 WeakPolarHBondContact CA-O 3.43Å; F121-I130 PolarHBondContact N-O 3.42Å; F121-I130 PolarHBondContact O-N 2.97Å; I130-I132 PolarHBondContact O-N 3.48Å
131N92.4Very high88.7Confident51 Ų5148.3 Ų48.327%0.27327%0.274SS..EExtended strand (participates in β ladder)trans-69.1121.5171.6-173.1-96.7000109Y120 Y133 T134Y120-N131 HydrophobicContact CD1-CB 3.94Å; Y120-N131 HydrophobicContact CE1-CB 3.71Å; Y120-N131 WeakPolarHBondContact CE1-ND2 3.39Å; N131-Y133 PolarHBondContact ND2-O 3.3Å; N131-T134 PolarHBondContact ND2-OG1 2.98Å; N131-T134 PolarHBondContact OD1-OG1 2.89Å; N131-T134 VanDerWaalsContact OD1-OG1 3.05Å
132I90Very high88.7Confident26 Ų2652 Ų5213%0.13329%0.29CS..EExtended strand (participates in β ladder)trans-89-47.9179.4-55.2166.3000109.7L107 V119 F121 I130 P191 I196 L199L107-I132 HydrophobicContact CD2-CD1 3.18Å; V119-I132 HydrophobicContact CG1-CD1 4.01Å; V119-I132 PolarHBondContact O-N 3.3Å; F121-I132 HydrophobicContact CB-CD1 3.55Å; F121-I132 HydrophobicContact CB-CG1 3.72Å; I130-I132 PolarHBondContact O-N 3.48Å; I132-P191 HydrophobicContact CD1-CG 4.39Å; I132-P191 HydrophobicContact CG2-CB 3.9Å; I132-P191 HydrophobicContact CG2-CG 3.89Å; I132-I196 HydrophobicContact CD1-CD1 3.66Å; I132-L199 HydrophobicContact CG1-CD1 4.39Å
133Y91.2Very high88.9Confident37 Ų3751.9 Ų51.915%0.14529%0.289CS..EExtended strand (participates in β ladder)trans-153158176.273.9-91.7000111.2V119 N131 L135V119-Y133 HydrophobicContact CB-CD1 3.78Å; V119-Y133 HydrophobicContact CB-CE1 3.41Å; V119-Y133 VanDerWaalsContact CB-CE1 3.41Å; V119-Y133 HydrophobicContact CB-CE2 4.45Å; V119-Y133 HydrophobicContact CB-CG 4.46Å; V119-Y133 HydrophobicContact CG1-CD1 4.38Å; V119-Y133 HydrophobicContact CG1-CE1 3.91Å; V119-Y133 HydrophobicContact CG2-CD1 4.21Å; V119-Y133 HydrophobicContact CG2-CE1 3.41Å; V119-Y133 VanDerWaalsContact CG2-CE1 3.41Å; V119-Y133 HydrophobicContact CG2-CE2 3.95Å; V119-Y133 VanDerWaalsContact CG2-OH 3.26Å; V119-Y133 WeakPolarHBondContact CG2-OH 3.2Å; V119-Y133 PolarHBondContact N-O 2.76Å; N131-Y133 PolarHBondContact ND2-O 3.3Å; Y133-L135 HydrophobicContact CD2-CD1 4.33Å; Y133-L135 HydrophobicContact CD2-CD2 4.45Å; Y133-L135 HydrophobicContact CD2-CG 3.95Å; Y133-L135 HydrophobicContact CE2-CD1 3.8Å; Y133-L135 HydrophobicContact CE2-CG 3.92Å
134T93.2Very high89.4Confident47 Ų4754.9 Ų54.929%0.28831%0.308SS..EExtended strand (participates in β ladder)trans-133.2133.8-179.3-67.80000108.1R116 D118 N131 N136R116-T134 VanDerWaalsContact CZ-CG2 3.49Å; R116-T134 PolarHBondContact NH2-OG1 3.49Å; D118-T134 WeakPolarHBondContact OD1-CB 3.45Å; D118-T134 VanDerWaalsContact OD1-CG2 3.27Å; D118-T134 WeakPolarHBondContact OD1-CG2 3.34Å; D118-T134 PolarHBondContact OD1-OG1 2.93Å; N131-T134 PolarHBondContact ND2-OG1 2.98Å; N131-T134 PolarHBondContact OD1-OG1 2.89Å; N131-T134 VanDerWaalsContact OD1-OG1 3.05Å; T134-N136 WeakPolarHBondContact CG2-OD1 3.49Å
135L93Very high90.3Very high54 Ų5454.7 Ų54.728%0.28331%0.31SS..EExtended strand (participates in β ladder)trans-119.393.9172.2-61.4174.7000108.4R116 V117 Y133 N137 A138 H188R116-L135 CarbonylContact C-O 3.58Å; R116-L135 VanDerWaalsContact CA-O 3.26Å; R116-L135 WeakPolarHBondContact CA-O 3.49Å; V117-L135 HydrophobicContact CB-CB 4.39Å; V117-L135 PolarHBondContact N-O 2.76Å; V117-L135 PolarHBondContact O-N 3.09Å; Y133-L135 HydrophobicContact CD2-CD1 4.33Å; Y133-L135 HydrophobicContact CD2-CD2 4.45Å; Y133-L135 HydrophobicContact CD2-CG 3.95Å; Y133-L135 HydrophobicContact CE2-CD1 3.8Å; Y133-L135 HydrophobicContact CE2-CG 3.92Å; L135-N137 VanDerWaalsContact C-N 3.29Å; L135-N137 PolarHBondContact O-N 3.04Å; L135-A138 HydrophobicContact CB-CB 3.99Å; L135-H188 HydrophobicContact CD1-CB 3.73Å; L135-H188 WeakPolarHBondContact CD1-ND1 3.43Å
136N91.1Very high91.2Very high91 Ų9152.1 Ų52.149%0.48729%0.29SS..THydrogen-bonded Turntrans-62.3-34.1-174.1-72.6-30.6000113.5R116 T134R116-N136 WeakPolarHBondContact CB-O 3.39Å; T134-N136 WeakPolarHBondContact CG2-OD1 3.49Å
137N90.3Very high91.8Very high146 Ų14652 Ų5278%0.78129%0.29SS*.THydrogen-bonded Turntrans-123.445.1-176.4-59.9-32.8000110.3L135 H139L135-N137 VanDerWaalsContact C-N 3.29Å; L135-N137 PolarHBondContact O-N 3.04Å; N137-H139 PolarHBondContact O-N 2.91Å
138A91.7Very high92.2Very high6 Ų648.9 Ų48.95%0.0528%0.275CS..SBendtrans-58.1-44.617700000109.6G115 V117 L135 K186G115-A138 WeakPolarHBondContact O-CB 3.38Å; G115-A138 PolarHBondContact O-N 3.46Å; G115-A138 VanDerWaalsContact O-N 3.14Å; V117-A138 HydrophobicContact CB-CB 4.06Å; V117-A138 HydrophobicContact CG2-CB 3.63Å; L135-A138 HydrophobicContact CB-CB 3.99Å; A138-K186 WeakPolarHBondContact O-CD 3.41Å; A138-K186 WeakPolarHBondContact O-CE 3.43Å; A138-K186 PolarHBondContact O-NZ 3.37Å
139H93.9Very high92.1Very high4 Ų450.3 Ų50.32%0.01928%0.279CS..SBendtrans-130.2154.2174.5-69.5-67.4000111G115 N137 I141 S178 S180 L184G115-H139 WeakPolarHBondContact CA-O 3.42Å; G115-H139 PolarHBondContact O-N 3.05Å; N137-H139 PolarHBondContact O-N 2.91Å; H139-I141 WeakPolarHBondContact CB-O 3.49Å; H139-I141 PolarHBondContact O-N 2.88Å; H139-S178 WeakPolarHBondContact NE2-CB 3.45Å; H139-S178 PolarHBondContact NE2-O 3.06Å; H139-S178 PolarHBondContact NE2-OG 2.82Å; H139-S180 PolarHBondContact CE1-OG 2.91Å; H139-S180 PolarHBondContact ND1-OG 3.49Å; H139-L184 PolarHBondContact CE1-O 3.1Å
140P90.4Very high91.3Very high93 Ų9357.6 Ų57.660%0.60431%0.306SS*.SBendtrans-71-21.4176.428.3-33.7000112.9D182P140-D182 WeakPolarHBondContact CD-OD2 3.34Å; P140-D182 WeakPolarHBondContact CG-OD2 3.32Å
141I89.4Confident90.1Very high86 Ų8659.8 Ų59.844%0.44132%0.316SS..SBendtrans-138.9176.3-175.5-45.1174.9000108.3G115 H139 V143 V181G115-I141 WeakPolarHBondContact CA-O 3.38Å; H139-I141 WeakPolarHBondContact CB-O 3.49Å; H139-I141 PolarHBondContact O-N 2.88Å; I141-V143 PolarHBondContact O-N 3.42Å; I141-V181 HydrophobicContact CB-CG2 3.95Å; I141-V181 HydrophobicContact CG2-CG2 3.62Å
142F91.5Very high88.5Confident79 Ų7960.9 Ų60.935%0.34632%0.321SS..  trans-44.9134.5-175.771.3-100.3000115.1M113 T144 S180 V181M113-F142 HydrophobicContact CB-CB 4.45Å; M113-F142 WeakPolarHBondContact O-CA 3.24Å; M113-F142 VanDerWaalsContact O-CB 3.28Å; M113-F142 WeakPolarHBondContact O-CB 3.33Å; M113-F142 PolarHBondContact O-N 3.33Å; F142-T144 HydrophobicContact CD2-CG2 3.66Å; F142-T144 HydrophobicContact CE2-CG2 3.28Å; F142-T144 HydrophobicContact CZ-CG2 4.34Å; F142-T144 PolarHBondContact O-N 2.9Å; F142-S180 VanDerWaalsContact O-CA 3.3Å; F142-S180 WeakPolarHBondContact O-CA 3.33Å; F142-S180 VanDerWaalsContact O-CB 3.27Å; F142-S180 WeakPolarHBondContact O-CB 3.5Å; F142-V181 HydrophobicContact CB-CG2 4.29Å; F142-V181 HydrophobicContact CD1-CB 4.21Å; F142-V181 HydrophobicContact CD1-CG1 4.36Å; F142-V181 HydrophobicContact CD1-CG2 3.03Å; F142-V181 HydrophobicContact CD2-CG2 3.49Å; F142-V181 VanDerWaalsContact CD2-CG2 3.49Å; F142-V181 HydrophobicContact CE1-CB 3.7Å; F142-V181 HydrophobicContact CE1-CG1 3.38Å; F142-V181 HydrophobicContact CE1-CG2 2.98Å; F142-V181 HydrophobicContact CE2-CB 4.09Å; F142-V181 HydrophobicContact CE2-CG1 3.99Å; F142-V181 HydrophobicContact CE2-CG2 3.47Å; F142-V181 VanDerWaalsContact CE2-CG2 3.47Å; F142-V181 HydrophobicContact CG-CG2 3.27Å; F142-V181 HydrophobicContact CZ-CB 3.63Å; F142-V181 HydrophobicContact CZ-CG1 3.15Å; F142-V181 HydrophobicContact CZ-CG2 3.21Å; F142-V181 WeakPolarHBondContact O-CG2 3.38Å; F142-V181 PolarHBondContact O-N 3.2Å
143V95.4Very high86.8Confident0 Ų063.7 Ų63.70%034%0.343CS..EExtended strand (participates in β ladder)trans-79.9116173.2-169.10000108.4A95 C96 T112 V117 I141 L146 V179A95-V143 VanDerWaalsContact CB-O 3.29Å; A95-V143 WeakPolarHBondContact CB-O 3.39Å; C96-V143 PolarHBondContact SG-O 2.93Å; T112-V143 PolarHBondContact O-N 2.94Å; T112-V143 VanDerWaalsContact O-N 3.08Å; V117-V143 HydrophobicContact CG2-CG1 4.37Å; V117-V143 HydrophobicContact CG2-CG2 3.95Å; I141-V143 PolarHBondContact O-N 3.42Å; V143-L146 HydrophobicContact CG1-CD2 3.86Å; V143-L146 HydrophobicContact CG1-CG 4.06Å; V143-V179 CarbonylContact C-O 3.44Å; V143-V179 WeakPolarHBondContact CA-O 3.26Å; V143-V179 WeakPolarHBondContact CG1-O 3.36Å
144T95.7Very high84.8Confident66 Ų6671.1 Ų71.141%0.40537%0.373SS..EExtended strand (participates in β ladder)trans-81.9-38.2-178.846.50000112.6F142 V179F142-T144 HydrophobicContact CD2-CG2 3.66Å; F142-T144 HydrophobicContact CE2-CG2 3.28Å; F142-T144 HydrophobicContact CZ-CG2 4.34Å; F142-T144 PolarHBondContact O-N 2.9Å; T144-V179 PolarHBondContact N-O 3.15Å; T144-V179 VanDerWaalsContact OG1-C 3.27Å; T144-V179 PolarHBondContact OG1-O 3.4Å
145A95.8Very high83Confident45 Ų4573.5 Ų73.537%0.37239%0.387SS..EExtended strand (participates in β ladder)trans-147.9149.7-175.200000111.2S178 V179A145-S178 WeakPolarHBondContact O-CA 3.24Å; A145-V179 HydrophobicContact CB-CB 4.31Å; A145-V179 PolarHBondContact N-O 3.06Å; A145-V179 PolarHBondContact O-N 3.4Å
146L95.3Very high81.1Confident20 Ų2074.8 Ų74.811%0.10539%0.393CS..EExtended strand (participates in β ladder)trans-131.9143.1173.3-73.4-180000108.8A98 V110 V117 V143 L176 V177A98-L146 HydrophobicContact CB-CB 3.72Å; A98-L146 WeakPolarHBondContact CB-O 3.32Å; V110-L146 VanDerWaalsContact C-CD1 3.41Å; V117-L146 HydrophobicContact CG1-CD1 4.38Å; V117-L146 HydrophobicContact CG1-CD2 4.17Å; V117-L146 HydrophobicContact CG2-CD2 4.1Å; V143-L146 HydrophobicContact CG1-CD2 3.86Å; V143-L146 HydrophobicContact CG1-CG 4.06Å; L146-L176 HydrophobicContact CB-CD1 4.47Å; L146-L176 HydrophobicContact CD2-CD2 4.01Å; L146-L176 HydrophobicContact CD2-CG 4.29Å; L146-V177 WeakPolarHBondContact CA-O 3.18Å
147T94.3Very high79.2Confident80 Ų8073.1 Ų73.149%0.49140%0.398SS..EExtended strand (participates in β ladder)trans-146139.5168.4-1720000109.9L176 V177T147-L176 WeakPolarHBondContact O-CD1 3.22Å; T147-V177 HydrophobicContact CG2-CB 4.04Å; T147-V177 PolarHBondContact N-O 2.89Å; T147-V177 PolarHBondContact O-N 2.98Å
148F91.5Very high77.4Confident13 Ų1376.3 Ų76.36%0.05740%0.399CS..EExtended strand (participates in β ladder)trans-75.8137.4167-73.5-80000109.2A98 H100 L107 V119 R150 D175 L176A98-F148 HydrophobicContact CB-CD2 4.19Å; A98-F148 HydrophobicContact CB-CE2 4.19Å; H100-F148 HydrophobicContact CB-CD1 4.43Å; H100-F148 HydrophobicContact CB-CD2 3.78Å; H100-F148 HydrophobicContact CB-CE2 4.02Å; H100-F148 HydrophobicContact CB-CG 3.99Å; H100-F148 HydrophobicContact CB-CZ 4.46Å; H100-F148 AromaticContact CD2-CD1 3.86Å; H100-F148 AromaticContact CD2-CG 3.67Å; L107-F148 HydrophobicContact CB-CE1 4.4Å; L107-F148 HydrophobicContact CB-CZ 4.09Å; V119-F148 HydrophobicContact CG1-CE1 4.45Å; V119-F148 HydrophobicContact CG1-CZ 4.28Å; F148-R150 PolarHBondContact O-N 3.5Å; F148-D175 WeakPolarHBondContact CA-O 3.42Å; F148-L176 HydrophobicContact CD1-CB 4.41Å; F148-L176 HydrophobicContact CD1-CD1 3.77Å; F148-L176 HydrophobicContact CD2-CD1 4.09Å; F148-L176 HydrophobicContact CE1-CB 4.46Å; F148-L176 HydrophobicContact CE1-CD1 3.77Å; F148-L176 HydrophobicContact CE2-CD1 4.1Å; F148-L176 HydrophobicContact CG-CD1 3.94Å; F148-L176 HydrophobicContact CZ-CD1 3.94Å
149L86.2Confident75.6Confident75 Ų7581.5 Ų81.539%0.39343%0.43SS..PPolyproline II helixtrans-75.8124.8168.9-67.3178.9000108D175 V177L149-D175 HydrophobicContact CB-CB 4.23Å; L149-D175 HydrophobicContact CD1-CB 4.06Å; L149-D175 PolarHBondContact N-O 3.23Å; L149-V177 HydrophobicContact CD1-CG2 3.73Å; L149-V177 HydrophobicContact CD2-CG2 3.71Å; L149-V177 HydrophobicContact CG-CG2 3.69Å
150R74.2Confident73.4Confident165 Ų16583.8 Ų83.862%0.62345%0.446SS*.PPolyproline II helixtrans-97.2125.5171178.1175156142.40.6107.6F148 D152F148-R150 PolarHBondContact O-N 3.5Å; R150-D152 IonicContact CZ-OD1 3.55Å; R150-D152 IonicContact NE-OD1 2.77Å; R150-D152 PolarHBondContact NE-OD1 3.49Å; R150-D152 IonicContact NH2-OD1 2.99Å; R150-D152 PolarHBondContact NH2-OD1 2.91Å; R150-D152 PolarHBondContact O-N 3.48Å
151E64.9Low71.6Confident71 Ų7188.4 Ų88.433%0.33246%0.46SS..  trans-72.699.9167.5-169.2172.1-178.100108.2S153 S171E151-S153 PolarHBondContact O-N 2.82Å; E151-S171 PolarHBondContact OE1-OG 2.78Å; E151-S171 VanDerWaalsContact OE2-O 3.1Å; E151-S171 PolarHBondContact OE2-OG 2.78Å
152D58.9Low69.8Low74 Ų7492 Ų9240%0.39647%0.472SS..  trans-8398.6167.9-78.8-30.2000108.5R150 Y154 V155R150-D152 IonicContact CZ-OD1 3.55Å; R150-D152 IonicContact NE-OD1 2.77Å; R150-D152 PolarHBondContact NE-OD1 3.49Å; R150-D152 IonicContact NH2-OD1 2.99Å; R150-D152 PolarHBondContact NH2-OD1 2.91Å; R150-D152 PolarHBondContact O-N 3.48Å; D152-Y154 PolarHBondContact O-N 3.12Å; D152-V155 HydrophobicContact CB-CG2 4.18Å; D152-V155 PolarHBondContact O-N 3.23Å
153S53.9Low67.4Low85 Ų8594.4 Ų94.459%0.59450%0.496SS*.Hα-helixtrans-51.7-23.9178-34.70000113E151 G157E151-S153 PolarHBondContact O-N 2.82Å; S153-G157 PolarHBondContact O-N 2.88Å
154Y51Low65.1Low194 Ų19498.7 Ų98.776%0.76152%0.518SS*.Hα-helixtrans-71.9-25.6178.9-74.7-81.1000114.6D152D152-Y154 PolarHBondContact O-N 3.12Å
155V55.3Low62.8Low96 Ų96100.6 Ų100.658%0.58253%0.534SS*.Hα-helixtrans-80.9-41.1-178.9-178.60000110.7D152 G157 R158D152-V155 HydrophobicContact CB-CG2 4.18Å; D152-V155 PolarHBondContact O-N 3.23Å; V155-G157 VanDerWaalsContact C-N 3.28Å; V155-G157 PolarHBondContact O-N 2.79Å; V155-R158 PolarHBondContact O-N 3.05Å
156L51.9Low60.4Low81 Ų81106.4 Ų106.442%0.42455%0.553SS.*Hα-helixtrans-64.1-32.9176-10973.8000112.6R158 T159L156-R158 VanDerWaalsContact C-N 3.27Å; L156-R158 PolarHBondContact O-N 2.93Å; L156-T159 PolarHBondContact O-OG1 3.33Å
157G51.1Low57.9Low57 Ų57109.3 Ų109.359%0.58857%0.568SS**Hα-helixtrans-67.7-19.817900000114.9S153 V155S153-G157 PolarHBondContact O-N 2.88Å; V155-G157 VanDerWaalsContact C-N 3.28Å; V155-G157 PolarHBondContact O-N 2.79Å
158R52.5Low55.2Low213 Ų213110.4 Ų110.480%0.80458%0.577SS**Hα-helixtrans-91-27.5-177.8-71.3-171.4-167.9-1784114.3V155 L156V155-R158 PolarHBondContact O-N 3.05Å; L156-R158 VanDerWaalsContact C-N 3.27Å; L156-R158 PolarHBondContact O-N 2.93Å
159T55.3Low52.9Low114 Ų114116.4 Ų116.470%0.69961%0.609SS**Hα-helixtrans-87.1-16.9179.948.40000112.8L156 Q161L156-T159 PolarHBondContact O-OG1 3.33Å; T159-Q161 PolarHBondContact O-N 3.46Å
160C46.6Very low51.2Low52 Ų52119.9 Ų119.935%0.35162%0.62SS.*  trans-99.482.1178.8-62.80000111.5K162C160-K162 PolarHBondContact O-N 3.39Å
161Q53.2Low50.2Low190 Ų190114.6 Ų114.689%0.88861%0.609SS**  trans-76.711.7169.5-74.5-170.9-9.600113.9T159T159-Q161 PolarHBondContact O-N 3.46Å
162K51.3Low50.3Low161 Ų161114.9 Ų114.970%0.761%0.613SS**SBendtrans-116.4136.9176.5-75.7-178.5177178.30109.5C160 I164C160-K162 PolarHBondContact O-N 3.39Å; K162-I164 HydrophobicContact CB-CD1 4.32Å; K162-I164 HydrophobicContact CB-CG1 3.92Å; K162-I164 PolarHBondContact O-N 3.48Å
163P42.4Very low51.2Low131 Ų131112.1 Ų112.185%0.85160%0.599SS**  trans-71.779.9172.231.8-31.3000107.4S165P163-S165 PolarHBondContact O-N 2.81Å
164I46.9Very low52.7Low89 Ų89108.9 Ų108.946%0.45657%0.574SS.*  trans-86.591.5173.6-55171.2000105.6K162 H166 L167K162-I164 HydrophobicContact CB-CD1 4.32Å; K162-I164 HydrophobicContact CB-CG1 3.92Å; K162-I164 PolarHBondContact O-N 3.48Å; I164-H166 PolarHBondContact O-N 3.28Å; I164-L167 HydrophobicContact CB-CD1 3.96Å; I164-L167 HydrophobicContact CD1-CD1 3.71Å; I164-L167 HydrophobicContact CG1-CD1 4.43Å; I164-L167 HydrophobicContact CG2-CB 4.37Å; I164-L167 HydrophobicContact CG2-CD1 3.64Å; I164-L167 PolarHBondContact O-N 3.18Å
165S47.1Very low54.4Low107 Ų107100 Ų10075%0.74854%0.54SS*.THydrogen-bonded Turntrans-60.17.3174.251.10000114.7P163P163-S165 PolarHBondContact O-N 2.81Å
166H45.7Very low56.2Low167 Ų16795.5 Ų95.577%0.77351%0.513SS*.THydrogen-bonded Turntrans-140.314.9-177.2-74.3-73.2000114.5I164 P168I164-H166 PolarHBondContact O-N 3.28Å; H166-P168 VanDerWaalsContact O-CD 3.3Å; H166-P168 WeakPolarHBondContact O-CD 3.5Å
167L42Very low58.2Low80 Ų8092.8 Ų92.842%0.41950%0.499SS..  trans-68.2120.4170.2-128.779.6000107.4I164 L169I164-L167 HydrophobicContact CB-CD1 3.96Å; I164-L167 HydrophobicContact CD1-CD1 3.71Å; I164-L167 HydrophobicContact CG1-CD1 4.43Å; I164-L167 HydrophobicContact CG2-CB 4.37Å; I164-L167 HydrophobicContact CG2-CD1 3.64Å; I164-L167 PolarHBondContact O-N 3.18Å; L167-L169 VanDerWaalsContact C-N 3.3Å; L167-L169 PolarHBondContact O-N 2.87Å
168P38.2Very low60.3Low103 Ų10390 Ų9067%0.66947%0.471SS*.  trans-65.898175.427-29.7000107.1H166 K170H166-P168 VanDerWaalsContact O-CD 3.3Å; H166-P168 WeakPolarHBondContact O-CD 3.5Å; P168-K170 HydrophobicContact CB-CB 3.93Å; P168-K170 PolarHBondContact O-N 2.92Å
169L42.5Very low62.4Low140 Ų14082 Ų8273%0.73345%0.446SS*.  trans-58.676.9156.3-85150.1000106.4L167L167-L169 VanDerWaalsContact C-N 3.3Å; L167-L169 PolarHBondContact O-N 2.87Å
170K51.3Low64.2Low147 Ų14776.7 Ų76.764%0.63941%0.414SS*.  trans-162.645.6-164.4-129.3176.4-172.5-178.90114.4P168 D172P168-K170 HydrophobicContact CB-CB 3.93Å; P168-K170 PolarHBondContact O-N 2.92Å; K170-D172 WeakPolarHBondContact CE-OD2 3.26Å; K170-D172 HydrophobicContact CG-CB 4.19Å; K170-D172 VanDerWaalsContact CG-OD2 3.29Å; K170-D172 WeakPolarHBondContact CG-OD2 3.49Å; K170-D172 PolarHBondContact O-N 2.79Å; K170-D172 VanDerWaalsContact O-N 3.17Å
171S51.7Low66.3Low55 Ų5577.1 Ų77.139%0.38541%0.414SS..  trans-80.567.7140.253.20000108.3E151 S173E151-S171 PolarHBondContact OE1-OG 2.78Å; E151-S171 VanDerWaalsContact OE2-O 3.1Å; E151-S171 PolarHBondContact OE2-OG 2.78Å; S171-S173 PolarHBondContact O-N 2.98Å
172D67.5Low68.1Low77 Ų7770.5 Ų70.541%0.41239%0.385SS..  trans-65.47.7172.1-91.1-22.3000111.5K170 T192 Y193K170-D172 WeakPolarHBondContact CE-OD2 3.26Å; K170-D172 HydrophobicContact CG-CB 4.19Å; K170-D172 VanDerWaalsContact CG-OD2 3.29Å; K170-D172 WeakPolarHBondContact CG-OD2 3.49Å; K170-D172 PolarHBondContact O-N 2.79Å; K170-D172 VanDerWaalsContact O-N 3.17Å; D172-T192 CarbonylContact O-C 3.57Å; D172-T192 VanDerWaalsContact O-CA 3.29Å; D172-T192 WeakPolarHBondContact O-CA 3.39Å; D172-Y193 WeakPolarHBondContact O-CB 3.47Å; D172-Y193 PolarHBondContact O-N 2.85Å
173S78.5Confident69.9Low15 Ų1573.6 Ų73.611%0.10539%0.392CS..BIsolated β-bridgetrans-104.8144.7-172.556.70000112.9S171 D175 H189 P191S171-S173 PolarHBondContact O-N 2.98Å; S173-D175 VanDerWaalsContact C-N 3.25Å; S173-D175 WeakPolarHBondContact CB-OD1 3.49Å; S173-D175 PolarHBondContact O-N 3.37Å; S173-D175 VanDerWaalsContact OG-CG 3.26Å; S173-D175 PolarHBondContact OG-OD1 3.31Å; S173-D175 PolarHBondContact OG-OD2 3.49Å; S173-H189 WeakPolarHBondContact CB-CE1 3.38Å; S173-H189 PolarHBondContact OG-CE1 2.71Å; S173-H189 PolarHBondContact OG-ND1 2.73Å; S173-P191 WeakPolarHBondContact CA-O 3.47Å
174F83.9Confident72.4Confident17 Ų1771.3 Ų71.38%0.07537%0.373CS..  trans-84.770.7174.8-69-74.6000111.2H100 L107 G190 P191 Y193 I196H100-F174 AromaticContact CD2-CD1 3.66Å; H100-F174 AromaticContact CE1-CD1 3.86Å; H100-F174 AromaticContact CE1-CE1 3.67Å; H100-F174 AromaticContact NE2-CD1 3.39Å; H100-F174 WeakPolarHBondContact NE2-CD1 3.49Å; H100-F174 AromaticContact NE2-CE1 3.65Å; L107-F174 HydrophobicContact CD1-CB 3.58Å; L107-F174 HydrophobicContact CD1-CD1 3.44Å; L107-F174 VanDerWaalsContact CD1-CD1 3.44Å; L107-F174 HydrophobicContact CD1-CD2 3.62Å; L107-F174 HydrophobicContact CD1-CE1 4.04Å; L107-F174 HydrophobicContact CD1-CE2 4.18Å; L107-F174 HydrophobicContact CD1-CG 3.21Å; L107-F174 HydrophobicContact CD1-CZ 4.4Å; F174-G190 WeakPolarHBondContact O-CA 3.38Å; F174-P191 HydrophobicContact CB-CG 4.33Å; F174-P191 WeakPolarHBondContact CD2-O 3.35Å; F174-P191 PolarHBondContact N-O 2.82Å; F174-Y193 HydrophobicContact CE2-CD2 4.37Å; F174-Y193 AromaticContact CZ-CD2 3.99Å; F174-Y193 HydrophobicContact CZ-CD2 3.99Å; F174-I196 HydrophobicContact CD2-CB 4.29Å; F174-I196 HydrophobicContact CD2-CG1 3.49Å; F174-I196 VanDerWaalsContact CD2-CG1 3.49Å; F174-I196 HydrophobicContact CE2-CB 3.86Å; F174-I196 HydrophobicContact CE2-CG1 3.58Å; F174-I196 HydrophobicContact CE2-CG2 4.22Å
175D88.1Confident74.6Confident9 Ų971.8 Ų71.85%0.04838%0.379CS..  trans-70.2148.4-174.8-71.1-0.4000112.3F148 L149 S173 W187 H189 G190F148-D175 WeakPolarHBondContact CA-O 3.42Å; L149-D175 HydrophobicContact CB-CB 4.23Å; L149-D175 HydrophobicContact CD1-CB 4.06Å; L149-D175 PolarHBondContact N-O 3.23Å; S173-D175 VanDerWaalsContact C-N 3.25Å; S173-D175 WeakPolarHBondContact CB-OD1 3.49Å; S173-D175 PolarHBondContact O-N 3.37Å; S173-D175 VanDerWaalsContact OG-CG 3.26Å; S173-D175 PolarHBondContact OG-OD1 3.31Å; S173-D175 PolarHBondContact OG-OD2 3.49Å; D175-W187 VanDerWaalsContact CG-NE1 3.33Å; D175-W187 WeakPolarHBondContact OD2-CZ2 3.3Å; D175-W187 PolarHBondContact OD2-NE1 3.47Å; D175-H189 WeakPolarHBondContact OD1-CA 3.33Å; D175-H189 IonicContact OD1-CE1 3.8Å; D175-H189 IonicContact OD1-CG 3.82Å; D175-H189 IonicContact OD1-ND1 3.18Å; D175-H189 PolarHBondContact OD1-ND1 3.31Å; D175-H189 IonicContact OD2-ND1 3.62Å; D175-G190 PolarHBondContact OD1-N 3.43Å
176L91.7Very high76.9Confident0 Ų070.1 Ų70.10%036%0.358CS..EExtended strand (participates in β ladder)trans-128.6132.4-175.2-175.278.6000109.3V117 V119 L146 T147 F148 H188V117-L176 HydrophobicContact CG1-CD2 3.44Å; V117-L176 VanDerWaalsContact CG1-CD2 3.44Å; V119-L176 HydrophobicContact CG2-CD2 3.89Å; L146-L176 HydrophobicContact CB-CD1 4.47Å; L146-L176 HydrophobicContact CD2-CD2 4.01Å; L146-L176 HydrophobicContact CD2-CG 4.29Å; T147-L176 WeakPolarHBondContact O-CD1 3.22Å; F148-L176 HydrophobicContact CD1-CB 4.41Å; F148-L176 HydrophobicContact CD1-CD1 3.77Å; F148-L176 HydrophobicContact CD2-CD1 4.09Å; F148-L176 HydrophobicContact CE1-CB 4.46Å; F148-L176 HydrophobicContact CE1-CD1 3.77Å; F148-L176 HydrophobicContact CE2-CD1 4.1Å; F148-L176 HydrophobicContact CG-CD1 3.94Å; F148-L176 HydrophobicContact CZ-CD1 3.94Å; L176-H188 HydrophobicContact CB-CB 4.46Å; L176-H188 PolarHBondContact N-O 3.09Å; L176-H188 WeakPolarHBondContact O-CB 3.4Å; L176-H188 PolarHBondContact O-N 3.25Å
177V93.9Very high79.1Confident24 Ų2470.5 Ų70.515%0.14535%0.353CS..EExtended strand (participates in β ladder)trans-105.2138.11701740000108.9L146 T147 L149 V185 K186 W187L146-V177 WeakPolarHBondContact CA-O 3.18Å; T147-V177 HydrophobicContact CG2-CB 4.04Å; T147-V177 PolarHBondContact N-O 2.89Å; T147-V177 PolarHBondContact O-N 2.98Å; L149-V177 HydrophobicContact CD1-CG2 3.73Å; L149-V177 HydrophobicContact CD2-CG2 3.71Å; L149-V177 HydrophobicContact CG-CG2 3.69Å; V177-V185 HydrophobicContact CG1-CG1 3.48Å; V177-V185 VanDerWaalsContact CG1-CG1 3.48Å; V177-K186 WeakPolarHBondContact CA-O 3.29Å; V177-W187 HydrophobicContact CG2-CB 4.42Å
178S96Very high81.5Confident0 Ų067.7 Ų67.70%034%0.338CS..EExtended strand (participates in β ladder)trans-126.9144.8179.463.30000110.6H139 A145 V185 K186 H188H139-S178 WeakPolarHBondContact NE2-CB 3.45Å; H139-S178 PolarHBondContact NE2-O 3.06Å; H139-S178 PolarHBondContact NE2-OG 2.82Å; A145-S178 WeakPolarHBondContact O-CA 3.24Å; S178-V185 WeakPolarHBondContact O-CA 3.46Å; S178-K186 PolarHBondContact N-O 3Å; S178-K186 PolarHBondContact O-N 3.21Å; S178-K186 PolarHBondContact OG-O 2.84Å; S178-H188 PolarHBondContact OG-CD2 3.19Å; S178-H188 PolarHBondContact OG-NE2 2.93Å
179V95.7Very high83.8Confident44 Ų4469 Ų6927%0.26734%0.335SS..EExtended strand (participates in β ladder)trans-125.7143.4177.3-171.90000108.3V143 T144 A145 L184 V185V143-V179 CarbonylContact C-O 3.44Å; V143-V179 WeakPolarHBondContact CA-O 3.26Å; V143-V179 WeakPolarHBondContact CG1-O 3.36Å; T144-V179 PolarHBondContact N-O 3.15Å; T144-V179 VanDerWaalsContact OG1-C 3.27Å; T144-V179 PolarHBondContact OG1-O 3.4Å; A145-V179 HydrophobicContact CB-CB 4.31Å; A145-V179 PolarHBondContact N-O 3.06Å; A145-V179 PolarHBondContact O-N 3.4Å; V179-L184 WeakPolarHBondContact CA-O 3.08Å; V179-V185 HydrophobicContact CG1-CG2 4.37Å; V179-V185 HydrophobicContact CG2-CG1 4.33Å; V179-V185 HydrophobicContact CG2-CG2 4.1Å
180S94.4Very high85.9Confident3 Ų362.8 Ų62.82%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-124.8171.7176.440.70000112H139 F142 D182 R183 L184H139-S180 PolarHBondContact CE1-OG 2.91Å; H139-S180 PolarHBondContact ND1-OG 3.49Å; F142-S180 VanDerWaalsContact O-CA 3.3Å; F142-S180 WeakPolarHBondContact O-CA 3.33Å; F142-S180 VanDerWaalsContact O-CB 3.27Å; F142-S180 WeakPolarHBondContact O-CB 3.5Å; S180-D182 VanDerWaalsContact CB-OD1 3.3Å; S180-D182 WeakPolarHBondContact CB-OD1 3.3Å; S180-D182 PolarHBondContact O-N 3.45Å; S180-D182 PolarHBondContact OG-OD1 3.35Å; S180-R183 PolarHBondContact O-N 3.06Å; S180-L184 PolarHBondContact N-O 2.88Å; S180-L184 PolarHBondContact OG-O 3.35Å
181V91.2Very high87.4Confident60 Ų6056.6 Ų56.636%0.36428%0.279SS..THydrogen-bonded Turntrans-53.7-38.4177.4-146.40000114.3I141 F142 R183I141-V181 HydrophobicContact CB-CG2 3.95Å; I141-V181 HydrophobicContact CG2-CG2 3.62Å; F142-V181 HydrophobicContact CB-CG2 4.29Å; F142-V181 HydrophobicContact CD1-CB 4.21Å; F142-V181 HydrophobicContact CD1-CG1 4.36Å; F142-V181 HydrophobicContact CD1-CG2 3.03Å; F142-V181 HydrophobicContact CD2-CG2 3.49Å; F142-V181 VanDerWaalsContact CD2-CG2 3.49Å; F142-V181 HydrophobicContact CE1-CB 3.7Å; F142-V181 HydrophobicContact CE1-CG1 3.38Å; F142-V181 HydrophobicContact CE1-CG2 2.98Å; F142-V181 HydrophobicContact CE2-CB 4.09Å; F142-V181 HydrophobicContact CE2-CG1 3.99Å; F142-V181 HydrophobicContact CE2-CG2 3.47Å; F142-V181 VanDerWaalsContact CE2-CG2 3.47Å; F142-V181 HydrophobicContact CG-CG2 3.27Å; F142-V181 HydrophobicContact CZ-CB 3.63Å; F142-V181 HydrophobicContact CZ-CG1 3.15Å; F142-V181 HydrophobicContact CZ-CG2 3.21Å; F142-V181 WeakPolarHBondContact O-CG2 3.38Å; F142-V181 PolarHBondContact O-N 3.2Å; V181-R183 PolarHBondContact O-N 3.15Å
182D90Very high88.9Confident52 Ų5256.4 Ų56.428%0.27828%0.276SS..THydrogen-bonded Turntrans-693.2-179.462.32.5000111.6P140 S180 L184P140-D182 WeakPolarHBondContact CD-OD2 3.34Å; P140-D182 WeakPolarHBondContact CG-OD2 3.32Å; S180-D182 VanDerWaalsContact CB-OD1 3.3Å; S180-D182 WeakPolarHBondContact CB-OD1 3.3Å; S180-D182 PolarHBondContact O-N 3.45Å; S180-D182 PolarHBondContact OG-OD1 3.35Å; D182-L184 HydrophobicContact CB-CG 4.41Å; D182-L184 PolarHBondContact O-N 2.88Å; D182-L184 WeakPolarHBondContact OD1-CB 3.49Å; D182-L184 WeakPolarHBondContact OD1-CG 3.35Å; D182-L184 PolarHBondContact OD1-N 2.85Å; D182-L184 VanDerWaalsContact OD2-CD1 3.3Å; D182-L184 WeakPolarHBondContact OD2-CD1 3.44Å
183R90Very high89.5Confident226 Ų22658.8 Ų58.885%0.85328%0.28SS*.  trans66.317.2179.7-47.8176.1-176.8176.2-0.5112.4S180 V181S180-R183 PolarHBondContact O-N 3.06Å; V181-R183 PolarHBondContact O-N 3.15Å
184L93.2Very high89.5Confident83 Ų8361.4 Ų61.444%0.43530%0.298SS..  trans-80.4132.3171.9-61.6-176.3000110.2H139 V179 S180 D182H139-L184 PolarHBondContact CE1-O 3.1Å; V179-L184 WeakPolarHBondContact CA-O 3.08Å; S180-L184 PolarHBondContact N-O 2.88Å; S180-L184 PolarHBondContact OG-O 3.35Å; D182-L184 HydrophobicContact CB-CG 4.41Å; D182-L184 PolarHBondContact O-N 2.88Å; D182-L184 WeakPolarHBondContact OD1-CB 3.49Å; D182-L184 WeakPolarHBondContact OD1-CG 3.35Å; D182-L184 PolarHBondContact OD1-N 2.85Å; D182-L184 VanDerWaalsContact OD2-CD1 3.3Å; D182-L184 WeakPolarHBondContact OD2-CD1 3.44Å
185V94.4Very high89.5Confident98 Ų9862.7 Ų62.759%0.59431%0.308SS*.EExtended strand (participates in β ladder)trans-107.3123.1171.4-175.70000107.3V177 S178 V179V177-V185 HydrophobicContact CG1-CG1 3.48Å; V177-V185 VanDerWaalsContact CG1-CG1 3.48Å; S178-V185 WeakPolarHBondContact O-CA 3.46Å; V179-V185 HydrophobicContact CG1-CG2 4.37Å; V179-V185 HydrophobicContact CG2-CG1 4.33Å; V179-V185 HydrophobicContact CG2-CG2 4.1Å
186K94.7Very high89.2Confident72 Ų7262.3 Ų62.331%0.31331%0.305SS..EExtended strand (participates in β ladder)trans-124.1131.7179.9-68.4-178-169.8-178.50110.7A138 V177 S178A138-K186 WeakPolarHBondContact O-CD 3.41Å; A138-K186 WeakPolarHBondContact O-CE 3.43Å; A138-K186 PolarHBondContact O-NZ 3.37Å; V177-K186 WeakPolarHBondContact CA-O 3.29Å; S178-K186 PolarHBondContact N-O 3Å; S178-K186 PolarHBondContact O-N 3.21Å; S178-K186 PolarHBondContact OG-O 2.84Å
187W92.8Very high88.5Confident175 Ų17562.8 Ų62.866%0.66331%0.311SS*.EExtended strand (participates in β ladder)trans-91.3130.3171.9173.818.3000109.4D175 V177D175-W187 VanDerWaalsContact CG-NE1 3.33Å; D175-W187 WeakPolarHBondContact OD2-CZ2 3.3Å; D175-W187 PolarHBondContact OD2-NE1 3.47Å; V177-W187 HydrophobicContact CG2-CB 4.42Å
188H90.9Very high87.9Confident22 Ų2266.5 Ų66.510%0.10233%0.325CS..EExtended strand (participates in β ladder)trans-113.8122.5174.8-54.8-58.8000109.4L135 L176 S178 G190L135-H188 HydrophobicContact CD1-CB 3.73Å; L135-H188 WeakPolarHBondContact CD1-ND1 3.43Å; L176-H188 HydrophobicContact CB-CB 4.46Å; L176-H188 PolarHBondContact N-O 3.09Å; L176-H188 WeakPolarHBondContact O-CB 3.4Å; L176-H188 PolarHBondContact O-N 3.25Å; S178-H188 PolarHBondContact OG-CD2 3.19Å; S178-H188 PolarHBondContact OG-NE2 2.93Å; H188-G190 PolarHBondContact O-N 3.41Å
189H87.9Confident87.1Confident131 Ų13166.6 Ų66.661%0.60633%0.325SS*.  trans-68.9128.5173-168.265.3000109.9S173 D175S173-H189 WeakPolarHBondContact CB-CE1 3.38Å; S173-H189 PolarHBondContact OG-CE1 2.71Å; S173-H189 PolarHBondContact OG-ND1 2.73Å; D175-H189 WeakPolarHBondContact OD1-CA 3.33Å; D175-H189 IonicContact OD1-CE1 3.8Å; D175-H189 IonicContact OD1-CG 3.82Å; D175-H189 IonicContact OD1-ND1 3.18Å; D175-H189 PolarHBondContact OD1-ND1 3.31Å; D175-H189 IonicContact OD2-ND1 3.62Å
190G85.2Confident86.2Confident8 Ų866.1 Ų66.18%0.08232%0.324CS..  trans-95.8178.8-17600000114.2F174 D175 H188F174-G190 WeakPolarHBondContact O-CA 3.38Å; D175-G190 PolarHBondContact OD1-N 3.43Å; H188-G190 PolarHBondContact O-N 3.41Å
191P83.5Confident85.1Confident17 Ų1772.9 Ų72.911%0.1136%0.355CS..  trans-65.9147.7173.230.5-37.3000110.7I132 S173 F174 T195 I196I132-P191 HydrophobicContact CD1-CG 4.39Å; I132-P191 HydrophobicContact CG2-CB 3.9Å; I132-P191 HydrophobicContact CG2-CG 3.89Å; S173-P191 WeakPolarHBondContact CA-O 3.47Å; F174-P191 HydrophobicContact CB-CG 4.33Å; F174-P191 WeakPolarHBondContact CD2-O 3.35Å; F174-P191 PolarHBondContact N-O 2.82Å; P191-T195 HydrophobicContact CB-CG2 4.46Å; P191-I196 HydrophobicContact CB-CD1 3.9Å; P191-I196 HydrophobicContact CB-CG1 4.24Å; P191-I196 HydrophobicContact CG-CD1 3.63Å; P191-I196 HydrophobicContact CG-CG1 4Å
192T83.7Confident83.8Confident52 Ų5272.4 Ų72.432%0.31936%0.362SS..BIsolated β-bridgetrans-73.3159.1176.857.30000112.5D172 S194 T195 I196D172-T192 CarbonylContact O-C 3.57Å; D172-T192 VanDerWaalsContact O-CA 3.29Å; D172-T192 WeakPolarHBondContact O-CA 3.39Å; T192-S194 PolarHBondContact O-N 3.01Å; T192-S194 PolarHBondContact OG1-OG 3.01Å; T192-T195 WeakPolarHBondContact O-CA 3.5Å; T192-T195 WeakPolarHBondContact O-CB 3.42Å; T192-T195 PolarHBondContact O-N 3.36Å; T192-T195 PolarHBondContact OG1-OG1 2.87Å; T192-I196 PolarHBondContact O-N 3.24Å
193Y80.2Confident82.4Confident126 Ų12675.8 Ų75.849%0.49438%0.379SS..Hα-helixtrans-59.4-37.1-178.9-172.1-82.5000111.6R105 D172 F174 G197R105-Y193 VanDerWaalsContact NE-CE2 3.33Å; R105-Y193 PolarHBondContact NH1-O 2.86Å; R105-Y193 PolarHBondContact NH2-OH 3.36Å; D172-Y193 WeakPolarHBondContact O-CB 3.47Å; D172-Y193 PolarHBondContact O-N 2.85Å; F174-Y193 HydrophobicContact CE2-CD2 4.37Å; F174-Y193 AromaticContact CZ-CD2 3.99Å; F174-Y193 HydrophobicContact CZ-CD2 3.99Å; Y193-G197 PolarHBondContact O-N 2.93Å
194S78.9Confident81Confident70 Ų7068 Ų6849%0.4935%0.353SS..Hα-helixtrans-65.1-38.8175.2610000111.9T192 G197 K198T192-S194 PolarHBondContact O-N 3.01Å; T192-S194 PolarHBondContact OG1-OG 3.01Å; S194-G197 PolarHBondContact O-N 2.89Å; S194-K198 WeakPolarHBondContact O-CB 3.43Å; S194-K198 VanDerWaalsContact O-CG 3.24Å; S194-K198 WeakPolarHBondContact O-CG 3.33Å; S194-K198 PolarHBondContact O-N 3.47Å
195T82.3Confident79.2Confident45 Ų4567.1 Ų67.128%0.27635%0.349SS..Hα-helixtrans-65.5-48.7176.9-54.60000110.6P191 T192 G197 K198 L199P191-T195 HydrophobicContact CB-CG2 4.46Å; T192-T195 WeakPolarHBondContact O-CA 3.5Å; T192-T195 WeakPolarHBondContact O-CB 3.42Å; T192-T195 PolarHBondContact O-N 3.36Å; T192-T195 PolarHBondContact OG1-OG1 2.87Å; T195-G197 VanDerWaalsContact C-N 3.35Å; T195-G197 PolarHBondContact O-N 3.35Å; T195-K198 PolarHBondContact O-N 2.93Å; T195-L199 HydrophobicContact CG2-CD1 4.48Å; T195-L199 WeakPolarHBondContact O-CG 3.29Å; T195-L199 PolarHBondContact O-N 2.77Å
196I82Confident77.5Confident0 Ų065.7 Ų65.70%034%0.338CS..Hα-helixtrans-65.7-37.8176.8-60-49.4000112R105 L107 F121 I132 F174 P191 T192 L199 S200R105-I196 HydrophobicContact CB-CG2 4.21Å; R105-I196 HydrophobicContact CG-CG2 4.19Å; L107-I196 HydrophobicContact CD1-CG1 4.41Å; L107-I196 HydrophobicContact CD2-CD1 3.84Å; L107-I196 HydrophobicContact CD2-CG1 4.4Å; F121-I196 HydrophobicContact CD2-CG2 4.17Å; F121-I196 HydrophobicContact CE2-CG2 3.87Å; I132-I196 HydrophobicContact CD1-CD1 3.66Å; F174-I196 HydrophobicContact CD2-CB 4.29Å; F174-I196 HydrophobicContact CD2-CG1 3.49Å; F174-I196 VanDerWaalsContact CD2-CG1 3.49Å; F174-I196 HydrophobicContact CE2-CB 3.86Å; F174-I196 HydrophobicContact CE2-CG1 3.58Å; F174-I196 HydrophobicContact CE2-CG2 4.22Å; P191-I196 HydrophobicContact CB-CD1 3.9Å; P191-I196 HydrophobicContact CB-CG1 4.24Å; P191-I196 HydrophobicContact CG-CD1 3.63Å; P191-I196 HydrophobicContact CG-CG1 4Å; T192-I196 PolarHBondContact O-N 3.24Å; I196-L199 HydrophobicContact CD1-CD1 3.92Å; I196-L199 WeakPolarHBondContact O-CB 3.47Å; I196-L199 PolarHBondContact O-N 3.33Å; I196-S200 PolarHBondContact O-N 3.06Å; I196-S200 PolarHBondContact O-OG 2.88Å
197G78.4Confident75.5Confident11 Ų1167.7 Ų67.711%0.11335%0.352CS..Hα-helixtrans-60.2-48.1174.600000111.4Y193 S194 T195 L199 S200 H201Y193-G197 PolarHBondContact O-N 2.93Å; S194-G197 PolarHBondContact O-N 2.89Å; T195-G197 VanDerWaalsContact C-N 3.35Å; T195-G197 PolarHBondContact O-N 3.35Å; G197-L199 VanDerWaalsContact C-N 3.31Å; G197-L199 PolarHBondContact O-N 3.34Å; G197-S200 WeakPolarHBondContact CA-OG 3.28Å; G197-S200 PolarHBondContact O-N 3.48Å; G197-S200 PolarHBondContact O-OG 2.65Å; G197-H201 PolarHBondContact O-CD2 2.91Å; G197-H201 PolarHBondContact O-N 2.94Å
198K79.9Confident73.3Confident101 Ų10162.5 Ų62.544%0.43934%0.337SS..Hα-helixtrans-62.1-37.2176-72.2177.1-173.4-1780112.7S194 T195 G202 I203 I204S194-K198 WeakPolarHBondContact O-CB 3.43Å; S194-K198 VanDerWaalsContact O-CG 3.24Å; S194-K198 WeakPolarHBondContact O-CG 3.33Å; S194-K198 PolarHBondContact O-N 3.47Å; T195-K198 PolarHBondContact O-N 2.93Å; K198-G202 PolarHBondContact O-N 3.07Å; K198-I203 HydrophobicContact CB-CB 4.3Å; K198-I203 PolarHBondContact O-N 2.99Å; K198-I204 HydrophobicContact CB-CB 4.32Å; K198-I204 HydrophobicContact CB-CD1 3.64Å; K198-I204 HydrophobicContact CB-CG1 3.82Å; K198-I204 HydrophobicContact CD-CD1 3.38Å; K198-I204 HydrophobicContact CD-CG1 4.04Å; K198-I204 HydrophobicContact CG-CD1 4.15Å; K198-I204 PolarHBondContact O-N 3.14Å
199L79.1Confident71.1Confident3 Ų368.2 Ų68.22%0.01637%0.368CS..Hα-helixtrans-64-44.7172.8-75.3167.6000111.7F121 I132 T195 I196 G197 H201 G202 I204 I206F121-L199 HydrophobicContact CD1-CB 4.03Å; F121-L199 HydrophobicContact CE1-CB 3.92Å; F121-L199 HydrophobicContact CZ-CB 4.47Å; I132-L199 HydrophobicContact CG1-CD1 4.39Å; T195-L199 HydrophobicContact CG2-CD1 4.48Å; T195-L199 WeakPolarHBondContact O-CG 3.29Å; T195-L199 PolarHBondContact O-N 2.77Å; I196-L199 HydrophobicContact CD1-CD1 3.92Å; I196-L199 WeakPolarHBondContact O-CB 3.47Å; I196-L199 PolarHBondContact O-N 3.33Å; G197-L199 VanDerWaalsContact C-N 3.31Å; G197-L199 PolarHBondContact O-N 3.34Å; L199-H201 VanDerWaalsContact C-N 3.27Å; L199-H201 PolarHBondContact O-N 2.82Å; L199-G202 PolarHBondContact O-N 3.3Å; L199-I204 HydrophobicContact CD2-CB 4.43Å; L199-I204 HydrophobicContact CD2-CG2 4.36Å; L199-I204 WeakPolarHBondContact CD2-O 3.26Å; L199-I206 HydrophobicContact CD1-CD1 3.88Å; L199-I206 HydrophobicContact CD2-CD1 3.68Å; L199-I206 HydrophobicContact CD2-CG1 3.79Å; L199-I206 HydrophobicContact CG-CD1 4.26Å
200S76.7Confident69.2Low34 Ų3466.3 Ų66.324%0.23837%0.366CS..Hα-helixtrans-64.2-31.917965.60000113.5I196 G197 G202I196-S200 PolarHBondContact O-N 3.06Å; I196-S200 PolarHBondContact O-OG 2.88Å; G197-S200 WeakPolarHBondContact CA-OG 3.28Å; G197-S200 PolarHBondContact O-N 3.48Å; G197-S200 PolarHBondContact O-OG 2.65Å; S200-G202 VanDerWaalsContact C-N 3.29Å
201H72.4Confident67.5Low145 Ų14568.2 Ų68.267%0.67138%0.378SS*.THydrogen-bonded Turntrans-85.80.4175.8-67.4-58.7000113.1G197 L199 I203G197-H201 PolarHBondContact O-CD2 2.91Å; G197-H201 PolarHBondContact O-N 2.94Å; L199-H201 VanDerWaalsContact C-N 3.27Å; L199-H201 PolarHBondContact O-N 2.82Å; H201-I203 HydrophobicContact CB-CD1 3.76Å; H201-I203 HydrophobicContact CB-CG1 3.83Å; H201-I203 PolarHBondContact O-N 3.26Å
202G64.5Low65.8Low50 Ų5071.8 Ų71.852%0.51540%0.395SS..THydrogen-bonded Turntrans67.513.6-177.700000114.4K198 L199 S200K198-G202 PolarHBondContact O-N 3.07Å; L199-G202 PolarHBondContact O-N 3.3Å; S200-G202 VanDerWaalsContact C-N 3.29Å
203I60.4Low64.1Low123 Ų12374.5 Ų74.563%0.63141%0.407SS*.SBendtrans-73.2-36.2-178.5-60.3170.3000110.2K198 H201K198-I203 HydrophobicContact CB-CB 4.3Å; K198-I203 PolarHBondContact O-N 2.99Å; H201-I203 HydrophobicContact CB-CD1 3.76Å; H201-I203 HydrophobicContact CB-CG1 3.83Å; H201-I203 PolarHBondContact O-N 3.26Å
204I59.8Low62.6Low61 Ų6175.6 Ų75.631%0.31342%0.415SS..  trans-110.7119.6173.5-63.8175.5000107.5K198 L199 I206K198-I204 HydrophobicContact CB-CB 4.32Å; K198-I204 HydrophobicContact CB-CD1 3.64Å; K198-I204 HydrophobicContact CB-CG1 3.82Å; K198-I204 HydrophobicContact CD-CD1 3.38Å; K198-I204 HydrophobicContact CD-CG1 4.04Å; K198-I204 HydrophobicContact CG-CD1 4.15Å; K198-I204 PolarHBondContact O-N 3.14Å; L199-I204 HydrophobicContact CD2-CB 4.43Å; L199-I204 HydrophobicContact CD2-CG2 4.36Å; L199-I204 WeakPolarHBondContact CD2-O 3.26Å; I204-I206 HydrophobicContact CG2-CG1 3.78Å
205N55.3Low61.1Low66 Ų6681 Ų8135%0.35342%0.424SS..  trans-106.9101163.3-179.5-8.1000107N207 N208N205-N207 PolarHBondContact O-N 2.98Å; N205-N207 PolarHBondContact OD1-N 3.47Å; N205-N207 VanDerWaalsContact OD1-N 3.13Å; N205-N208 HydrophobicContact CB-CB 3.78Å; N205-N208 PolarHBondContact ND2-ND2 3.35Å; N205-N208 VanDerWaalsContact ND2-ND2 3.16Å; N205-N208 PolarHBondContact ND2-OD1 2.79Å; N205-N208 PolarHBondContact O-N 2.93Å; N205-N208 PolarHBondContact OD1-N 3.29Å
206I58.6Low59.7Low68 Ų6884.5 Ų84.535%0.34944%0.44SS..THydrogen-bonded Turntrans-57.3-23.6-178-66174.8000110.8L199 I204L199-I206 HydrophobicContact CD1-CD1 3.88Å; L199-I206 HydrophobicContact CD2-CD1 3.68Å; L199-I206 HydrophobicContact CD2-CG1 3.79Å; L199-I206 HydrophobicContact CG-CD1 4.26Å; I204-I206 HydrophobicContact CG2-CG1 3.78Å
207N53.1Low58.4Low114 Ų11489.8 Ų89.861%0.6147%0.467SS*.THydrogen-bonded Turntrans-90.2-15.2174.6-95.5-5000115.1N205 V210 S211N205-N207 PolarHBondContact O-N 2.98Å; N205-N207 PolarHBondContact OD1-N 3.47Å; N205-N207 VanDerWaalsContact OD1-N 3.13Å; N207-V210 PolarHBondContact O-N 3.08Å; N207-S211 WeakPolarHBondContact O-CB 3.17Å; N207-S211 PolarHBondContact O-N 3.5Å
208N46.7Very low57.4Low65 Ų6594.4 Ų94.435%0.34849%0.486SS..Hα-helixtrans-80.1-20.6-175.3-94.86.2000115.2N205 V210 S211 L212N205-N208 HydrophobicContact CB-CB 3.78Å; N205-N208 PolarHBondContact ND2-ND2 3.35Å; N205-N208 VanDerWaalsContact ND2-ND2 3.16Å; N205-N208 PolarHBondContact ND2-OD1 2.79Å; N205-N208 PolarHBondContact O-N 2.93Å; N205-N208 PolarHBondContact OD1-N 3.29Å; N208-V210 PolarHBondContact O-N 3.3Å; N208-S211 WeakPolarHBondContact CA-OG 3.31Å; N208-S211 PolarHBondContact O-N 3.34Å; N208-S211 PolarHBondContact OD1-OG 2.86Å; N208-L212 WeakPolarHBondContact O-CB 3.26Å; N208-L212 PolarHBondContact O-N 2.95Å
209N44.6Very low56.5Low142 Ų14293.9 Ų93.976%0.75949%0.492SS*.Hα-helixtrans-67.1-28.3174.1-80.1-4.1000111.6
210V47.4Very low56.1Low91 Ų91100.9 Ų100.955%0.55252%0.523SS*.Hα-helixtrans-87-36.6172.6-173.30000111.2N207 N208 K214N207-V210 PolarHBondContact O-N 3.08Å; N208-V210 PolarHBondContact O-N 3.3Å; V210-K214 VanDerWaalsContact O-CB 3.3Å; V210-K214 WeakPolarHBondContact O-CB 3.14Å; V210-K214 PolarHBondContact O-N 2.88Å
211S49.7Very low55.7Low49 Ų49102.3 Ų102.334%0.34353%0.53SS..Hα-helixtrans-73.5-36.4-176.686.80000113.6N207 N208 K214 R215N207-S211 WeakPolarHBondContact O-CB 3.17Å; N207-S211 PolarHBondContact O-N 3.5Å; N208-S211 WeakPolarHBondContact CA-OG 3.31Å; N208-S211 PolarHBondContact O-N 3.34Å; N208-S211 PolarHBondContact OD1-OG 2.86Å; S211-K214 PolarHBondContact O-N 2.84Å; S211-R215 WeakPolarHBondContact O-CA 3.37Å; S211-R215 WeakPolarHBondContact O-CB 3.46Å; S211-R215 PolarHBondContact O-N 2.98Å
212L47.5Very low55.6Low91 Ų9198.4 Ų98.448%0.47652%0.519SS..Hα-helixtrans-68.3-43.9175.1-86.6165.8000110.8N208 R215 I216N208-L212 WeakPolarHBondContact O-CB 3.26Å; N208-L212 PolarHBondContact O-N 2.95Å; L212-R215 PolarHBondContact O-N 2.79Å; L212-I216 WeakPolarHBondContact O-CB 3.27Å; L212-I216 WeakPolarHBondContact O-CD1 3.15Å; L212-I216 WeakPolarHBondContact O-CG1 3.44Å; L212-I216 PolarHBondContact O-N 2.84Å
213L47.6Very low56.3Low109 Ų109101.5 Ų101.557%0.57152%0.522SS*.Hα-helixtrans-63-44.9175.1-15189.9000110.7R215 I216 I217L213-R215 VanDerWaalsContact C-N 3.33Å; L213-R215 PolarHBondContact O-N 3.45Å; L213-I216 PolarHBondContact O-N 2.95Å; L213-I217 HydrophobicContact CD2-CD1 3.89Å; L213-I217 HydrophobicContact CG-CD1 3.87Å; L213-I217 WeakPolarHBondContact O-CB 3.38Å; L213-I217 VanDerWaalsContact O-CD1 3.26Å; L213-I217 WeakPolarHBondContact O-CD1 3.22Å; L213-I217 WeakPolarHBondContact O-CG1 3.29Å; L213-I217 PolarHBondContact O-N 3Å
214K48.8Very low57.3Low149 Ų149103.9 Ų103.965%0.64853%0.525SS*.Hα-helixtrans-64.8-31.9173.6-102.8-178.3170178.20113.8V210 S211 I217 H218V210-K214 VanDerWaalsContact O-CB 3.3Å; V210-K214 WeakPolarHBondContact O-CB 3.14Å; V210-K214 PolarHBondContact O-N 2.88Å; S211-K214 PolarHBondContact O-N 2.84Å; K214-I217 CarbonylContact O-C 3.53Å; K214-I217 PolarHBondContact O-N 2.78Å; K214-H218 PolarHBondContact O-N 3.05Å
215R48.1Very low58.3Low184 Ų184105.5 Ų105.569%0.69454%0.537SS*.Hα-helixtrans-74.4-33.6177.6-175.3178.9-106.2-166.9-4.8111.3S211 L212 L213 T221S211-R215 WeakPolarHBondContact O-CA 3.37Å; S211-R215 WeakPolarHBondContact O-CB 3.46Å; S211-R215 PolarHBondContact O-N 2.98Å; L212-R215 PolarHBondContact O-N 2.79Å; L213-R215 VanDerWaalsContact C-N 3.33Å; L213-R215 PolarHBondContact O-N 3.45Å; R215-T221 PolarHBondContact O-OG1 2.72Å
216I52.6Low59.7Low119 Ų119107.6 Ų107.661%0.6155%0.547SS*.Hα-helixtrans-70.2-38.4169.3-65.1161.6000110.3L212 L213 H218L212-I216 WeakPolarHBondContact O-CB 3.27Å; L212-I216 WeakPolarHBondContact O-CD1 3.15Å; L212-I216 WeakPolarHBondContact O-CG1 3.44Å; L212-I216 PolarHBondContact O-N 2.84Å; L213-I216 PolarHBondContact O-N 2.95Å; I216-H218 VanDerWaalsContact C-N 3.25Å; I216-H218 PolarHBondContact O-N 3.48Å
217I55.2Low60.9Low110 Ų110107.8 Ų107.856%0.56455%0.554SS**SBendtrans-79.3-2.5178-61.9160.9000112.5L213 K214 P219L213-I217 HydrophobicContact CD2-CD1 3.89Å; L213-I217 HydrophobicContact CG-CD1 3.87Å; L213-I217 WeakPolarHBondContact O-CB 3.38Å; L213-I217 VanDerWaalsContact O-CD1 3.26Å; L213-I217 WeakPolarHBondContact O-CD1 3.22Å; L213-I217 WeakPolarHBondContact O-CG1 3.29Å; L213-I217 PolarHBondContact O-N 3Å; K214-I217 CarbonylContact O-C 3.53Å; K214-I217 PolarHBondContact O-N 2.78Å; I217-P219 WeakPolarHBondContact O-CD 3.2Å; I217-P219 VanDerWaalsContact O-N 3.09Å
218H57.1Low62.5Low109 Ų109108.2 Ų108.251%0.50556%0.556SS.*  trans-62121.2175.8-135.5-62.7000108.3K214 I216 K220 T221 C222K214-H218 PolarHBondContact O-N 3.05Å; I216-H218 VanDerWaalsContact C-N 3.25Å; I216-H218 PolarHBondContact O-N 3.48Å; H218-K220 PolarHBondContact O-N 2.97Å; H218-T221 VanDerWaalsContact CB-OG1 3.23Å; H218-T221 WeakPolarHBondContact CB-OG1 3.15Å; H218-T221 PolarHBondContact O-N 3.43Å; H218-T221 PolarHBondContact O-OG1 3.42Å; H218-C222 PolarHBondContact O-N 2.89Å; H218-C222 VanDerWaalsContact O-N 3.09Å
219P62Low64.3Low89 Ų89110.9 Ų110.958%0.57857%0.565SS**Hα-helixtrans-59.6-28.9-170.318.8-32000112.3I217 I223I217-P219 WeakPolarHBondContact O-CD 3.2Å; I217-P219 VanDerWaalsContact O-N 3.09Å; P219-I223 WeakPolarHBondContact O-CD1 3.49Å; P219-I223 WeakPolarHBondContact O-CG1 3.46Å; P219-I223 PolarHBondContact O-N 3.32Å
220K71.1Confident66.2Low150 Ų150107.4 Ų107.465%0.65255%0.551SS**Hα-helixtrans-66.7-47.2175.4-64.6-172.8177.5-1770112.6H218 C222 I223 Y224H218-K220 PolarHBondContact O-N 2.97Å; K220-C222 VanDerWaalsContact C-N 3.33Å; K220-I223 PolarHBondContact O-N 3.45Å; K220-Y224 WeakPolarHBondContact O-CD2 3.37Å; K220-Y224 PolarHBondContact O-N 3.38Å; K220-Y224 VanDerWaalsContact O-N 3.09Å
221T68.1Low68Low64 Ų64108.9 Ų108.939%0.39356%0.555SS.*Hα-helixtrans-66.4-37.2177.55.40000111.5R215 H218 Y224 V225R215-T221 PolarHBondContact O-OG1 2.72Å; H218-T221 VanDerWaalsContact CB-OG1 3.23Å; H218-T221 WeakPolarHBondContact CB-OG1 3.15Å; H218-T221 PolarHBondContact O-N 3.43Å; H218-T221 PolarHBondContact O-OG1 3.42Å; T221-Y224 PolarHBondContact O-N 2.67Å; T221-V225 WeakPolarHBondContact O-CG2 3.17Å; T221-V225 PolarHBondContact O-N 2.91Å
222C69.5Low69.8Low64 Ų64111.7 Ų111.743%0.43257%0.565SS.*Hα-helixtrans-59.8-46.6174-171.60000111.5H218 K220 Y224 V225 L226H218-C222 PolarHBondContact O-N 2.89Å; H218-C222 VanDerWaalsContact O-N 3.09Å; K220-C222 VanDerWaalsContact C-N 3.33Å; C222-Y224 PolarHBondContact O-N 3.04Å; C222-V225 PolarHBondContact O-N 3.17Å; C222-L226 WeakPolarHBondContact O-CB 3.47Å; C222-L226 PolarHBondContact O-N 3.17Å
223I79.2Confident71.7Confident114 Ų114111.7 Ų111.759%0.58556%0.562SS**Hα-helixtrans-59.7-43.9176-69.2161.2000111.6P219 K220 L226 C227P219-I223 WeakPolarHBondContact O-CD1 3.49Å; P219-I223 WeakPolarHBondContact O-CG1 3.46Å; P219-I223 PolarHBondContact O-N 3.32Å; K220-I223 PolarHBondContact O-N 3.45Å; I223-L226 PolarHBondContact O-N 2.99Å; I223-C227 VanDerWaalsContact O-CB 3.29Å; I223-C227 WeakPolarHBondContact O-CB 3.39Å; I223-C227 PolarHBondContact O-N 3.43Å
224Y81.6Confident73.4Confident174 Ų174112 Ų11268%0.68256%0.563SS**Hα-helixtrans-63.2-43.1177.7-78.3-66.1000112.6K220 T221 C222 C227 L228K220-Y224 WeakPolarHBondContact O-CD2 3.37Å; K220-Y224 PolarHBondContact O-N 3.38Å; K220-Y224 VanDerWaalsContact O-N 3.09Å; T221-Y224 PolarHBondContact O-N 2.67Å; C222-Y224 PolarHBondContact O-N 3.04Å; Y224-C227 PolarHBondContact O-N 3.06Å; Y224-L228 WeakPolarHBondContact O-CB 3.3Å; Y224-L228 PolarHBondContact O-N 3.18Å
225V81.5Confident75Confident95 Ų95108.5 Ų108.558%0.57656%0.556SS**Hα-helixtrans-64.9-43.9177.5173.70000110.7T221 C222 C227 L228 F229T221-V225 WeakPolarHBondContact O-CG2 3.17Å; T221-V225 PolarHBondContact O-N 2.91Å; C222-V225 PolarHBondContact O-N 3.17Å; V225-C227 PolarHBondContact O-N 2.87Å; V225-L228 PolarHBondContact O-N 2.84Å; V225-F229 WeakPolarHBondContact O-CB 3.3Å; V225-F229 PolarHBondContact O-N 3.38Å
226L83.1Confident76.7Confident109 Ų109103.7 Ų103.757%0.57154%0.543SS*.Hα-helixtrans-60.2-44.7176.1-118.7148.4000111.6C222 I223 F229 S230C222-L226 WeakPolarHBondContact O-CB 3.47Å; C222-L226 PolarHBondContact O-N 3.17Å; I223-L226 PolarHBondContact O-N 2.99Å; L226-F229 WeakPolarHBondContact O-CB 3.41Å; L226-F229 PolarHBondContact O-N 3.04Å; L226-S230 PolarHBondContact O-N 3.43Å; L226-S230 PolarHBondContact O-OG 2.47Å; L226-S230 VanDerWaalsContact O-OG 3.1Å
227C84.6Confident78.2Confident72 Ų72103.6 Ų103.649%0.48654%0.543SS..Hα-helixtrans-64.4-41.5178.9-1570000111.8I223 Y224 V225 S230 I231I223-C227 VanDerWaalsContact O-CB 3.29Å; I223-C227 WeakPolarHBondContact O-CB 3.39Å; I223-C227 PolarHBondContact O-N 3.43Å; Y224-C227 PolarHBondContact O-N 3.06Å; V225-C227 PolarHBondContact O-N 2.87Å; C227-S230 PolarHBondContact O-N 2.79Å; C227-I231 VanDerWaalsContact O-CG1 3.31Å; C227-I231 WeakPolarHBondContact O-CG1 3.27Å; C227-I231 PolarHBondContact O-N 2.84Å
228L86.1Confident79.7Confident124 Ų124103.7 Ų103.765%0.64954%0.543SS*.Hα-helixtrans-66.8-38.6176.6-154.3147000111.4Y224 V225 I231 L232Y224-L228 WeakPolarHBondContact O-CB 3.3Å; Y224-L228 PolarHBondContact O-N 3.18Å; V225-L228 PolarHBondContact O-N 2.84Å; L228-I231 PolarHBondContact O-N 3.31Å; L228-L232 WeakPolarHBondContact O-CB 3.38Å; L228-L232 PolarHBondContact O-N 3.02Å
229F85.6Confident81Confident121 Ų121103.1 Ų103.153%0.53155%0.547SS..Hα-helixtrans-63-43.4172.5-135.9-93.4000111.6V225 L226 L232 F233V225-F229 WeakPolarHBondContact O-CB 3.3Å; V225-F229 PolarHBondContact O-N 3.38Å; L226-F229 WeakPolarHBondContact O-CB 3.41Å; L226-F229 PolarHBondContact O-N 3.04Å; F229-L232 PolarHBondContact O-N 3.25Å; F229-F233 AromaticContact CD1-CD2 3.5Å; F229-F233 HydrophobicContact CD1-CD2 3.5Å; F229-F233 VanDerWaalsContact CD1-CD2 3.5Å; F229-F233 AromaticContact CD1-CE2 3.61Å; F229-F233 HydrophobicContact CD1-CE2 3.61Å; F229-F233 AromaticContact CE1-CD2 3.55Å; F229-F233 HydrophobicContact CE1-CD2 3.55Å; F229-F233 AromaticContact CE1-CE2 3.11Å; F229-F233 HydrophobicContact CE1-CE2 3.11Å; F229-F233 AromaticContact CE1-CZ 3.96Å; F229-F233 HydrophobicContact CE1-CZ 3.96Å; F229-F233 HydrophobicContact CG-CD2 4.41Å; F229-F233 HydrophobicContact CZ-CD2 4.47Å; F229-F233 AromaticContact CZ-CE2 3.76Å; F229-F233 HydrophobicContact CZ-CE2 3.76Å; F229-F233 WeakPolarHBondContact O-CB 3.46Å; F229-F233 WeakPolarHBondContact O-CD2 3.37Å; F229-F233 PolarHBondContact O-N 3.22Å
230S83.2Confident82.1Confident68 Ų68103.7 Ų103.748%0.47654%0.543SS..Hα-helixtrans-62.7-42.6176.5-63.40000112.5L226 C227 L232 F233 L234L226-S230 PolarHBondContact O-N 3.43Å; L226-S230 PolarHBondContact O-OG 2.47Å; L226-S230 VanDerWaalsContact O-OG 3.1Å; C227-S230 PolarHBondContact O-N 2.79Å; S230-L232 VanDerWaalsContact C-N 3.34Å; S230-F233 PolarHBondContact O-N 3.42Å; S230-L234 WeakPolarHBondContact O-CB 3.45Å; S230-L234 PolarHBondContact O-N 2.89Å
231I86.8Confident82.8Confident122 Ų122101.2 Ų101.263%0.62654%0.537SS*.Hα-helixtrans-64.2-40.6177.1-67.3163.9000110.8C227 L228 P235C227-I231 VanDerWaalsContact O-CG1 3.31Å; C227-I231 WeakPolarHBondContact O-CG1 3.27Å; C227-I231 PolarHBondContact O-N 2.84Å; L228-I231 PolarHBondContact O-N 3.31Å; I231-P235 VanDerWaalsContact O-CD 3.29Å; I231-P235 WeakPolarHBondContact O-CD 3.22Å
232L86.6Confident83.6Confident108 Ų108105.2 Ų105.257%0.56555%0.551SS**Hα-helixtrans-68-38.7178.6-168.180000112.5L228 F229 S230 P235L228-L232 WeakPolarHBondContact O-CB 3.38Å; L228-L232 PolarHBondContact O-N 3.02Å; F229-L232 PolarHBondContact O-N 3.25Å; S230-L232 VanDerWaalsContact C-N 3.34Å; L232-P235 WeakPolarHBondContact O-CD 3.16Å; L232-P235 WeakPolarHBondContact O-CG 3.34Å
233F86.8Confident84.3Confident91 Ų91105.1 Ų105.140%0.39955%0.551SS.*Hα-helixtrans-83-19.7-179.1-92.7-92.4000114.1F229 S230 I236 L237F229-F233 AromaticContact CD1-CD2 3.5Å; F229-F233 HydrophobicContact CD1-CD2 3.5Å; F229-F233 VanDerWaalsContact CD1-CD2 3.5Å; F229-F233 AromaticContact CD1-CE2 3.61Å; F229-F233 HydrophobicContact CD1-CE2 3.61Å; F229-F233 AromaticContact CE1-CD2 3.55Å; F229-F233 HydrophobicContact CE1-CD2 3.55Å; F229-F233 AromaticContact CE1-CE2 3.11Å; F229-F233 HydrophobicContact CE1-CE2 3.11Å; F229-F233 AromaticContact CE1-CZ 3.96Å; F229-F233 HydrophobicContact CE1-CZ 3.96Å; F229-F233 HydrophobicContact CG-CD2 4.41Å; F229-F233 HydrophobicContact CZ-CD2 4.47Å; F229-F233 AromaticContact CZ-CE2 3.76Å; F229-F233 HydrophobicContact CZ-CE2 3.76Å; F229-F233 WeakPolarHBondContact O-CB 3.46Å; F229-F233 WeakPolarHBondContact O-CD2 3.37Å; F229-F233 PolarHBondContact O-N 3.22Å; S230-F233 PolarHBondContact O-N 3.42Å; F233-I236 HydrophobicContact CD1-CD1 4.28Å; F233-I236 HydrophobicContact CE1-CD1 4.38Å; F233-I236 PolarHBondContact O-N 3.43Å; F233-I236 VanDerWaalsContact O-N 3.15Å; F233-L237 WeakPolarHBondContact O-CB 3.38Å; F233-L237 PolarHBondContact O-N 2.7Å
234L84.5Confident84.6Confident116 Ų116103.4 Ų103.461%0.60755%0.546SS*.Hα-helixtrans-51.3-51.6178.1-16094.7000113.3S230 I236 L237 M238S230-L234 WeakPolarHBondContact O-CB 3.45Å; S230-L234 PolarHBondContact O-N 2.89Å; L234-I236 VanDerWaalsContact C-N 3.33Å; L234-I236 PolarHBondContact O-N 3.2Å; L234-L237 PolarHBondContact O-N 3.14Å; L234-M238 VanDerWaalsContact O-CG 3.28Å; L234-M238 WeakPolarHBondContact O-CG 3.45Å; L234-M238 PolarHBondContact O-N 2.78Å
235P82.1Confident84.6Confident75 Ų75100.7 Ų100.749%0.48754%0.543SS..Hα-helixtrans-65-34.8179.123.8-33.7000112.9I231 L232 L237 M238 V239I231-P235 VanDerWaalsContact O-CD 3.29Å; I231-P235 WeakPolarHBondContact O-CD 3.22Å; L232-P235 WeakPolarHBondContact O-CD 3.16Å; L232-P235 WeakPolarHBondContact O-CG 3.34Å; P235-L237 VanDerWaalsContact C-N 3.34Å; P235-M238 PolarHBondContact O-N 3.36Å; P235-V239 WeakPolarHBondContact O-CG2 3.5Å; P235-V239 PolarHBondContact O-N 3.41Å
236I84.5Confident84.6Confident84 Ų84100.5 Ų100.543%0.43155%0.546SS..Hα-helixtrans-65.2-42.8176.6-58.5172.9000109.9F233 L234 M238 V239 I240F233-I236 HydrophobicContact CD1-CD1 4.28Å; F233-I236 HydrophobicContact CE1-CD1 4.38Å; F233-I236 PolarHBondContact O-N 3.43Å; F233-I236 VanDerWaalsContact O-N 3.15Å; L234-I236 VanDerWaalsContact C-N 3.33Å; L234-I236 PolarHBondContact O-N 3.2Å; I236-M238 VanDerWaalsContact C-N 3.35Å; I236-V239 PolarHBondContact O-N 2.89Å; I236-I240 HydrophobicContact CG2-CD1 4Å; I236-I240 VanDerWaalsContact O-CG1 3.3Å; I236-I240 WeakPolarHBondContact O-CG1 3.37Å; I236-I240 PolarHBondContact O-N 3.42Å; I236-I240 VanDerWaalsContact O-N 3.09Å
237L83.7Confident84Confident116 Ų116101.5 Ų101.561%0.60755%0.552SS**Hα-helixtrans-66.3-37.8179.1-144114000111.8F233 L234 P235 I240 L241F233-L237 WeakPolarHBondContact O-CB 3.38Å; F233-L237 PolarHBondContact O-N 2.7Å; L234-L237 PolarHBondContact O-N 3.14Å; P235-L237 VanDerWaalsContact C-N 3.34Å; L237-I240 PolarHBondContact O-N 3.47Å; L237-L241 WeakPolarHBondContact O-CB 3.33Å; L237-L241 PolarHBondContact O-N 3.3Å
238M85.8Confident82.7Confident113 Ų113109.5 Ų109.556%0.55758%0.579SS**Hα-helixtrans-66.1-41.7176.4-68.5-65.9-82.600112L234 P235 I236 I240 L241 E242L234-M238 VanDerWaalsContact O-CG 3.28Å; L234-M238 WeakPolarHBondContact O-CG 3.45Å; L234-M238 PolarHBondContact O-N 2.78Å; P235-M238 PolarHBondContact O-N 3.36Å; I236-M238 VanDerWaalsContact C-N 3.35Å; M238-I240 VanDerWaalsContact C-N 3.35Å; M238-I240 PolarHBondContact O-N 3.32Å; M238-L241 PolarHBondContact O-N 3.45Å; M238-E242 PolarHBondContact O-N 3.25Å
239V85.9Confident82.6Confident97 Ų97108.8 Ų108.859%0.58858%0.575SS**Hα-helixtrans-64.1-40.4175.9171.50000111.4P235 I236 L241 S243P235-V239 WeakPolarHBondContact O-CG2 3.5Å; P235-V239 PolarHBondContact O-N 3.41Å; I236-V239 PolarHBondContact O-N 2.89Å; V239-L241 VanDerWaalsContact C-N 3.35Å; V239-S243 WeakPolarHBondContact O-CB 3.39Å; V239-S243 PolarHBondContact O-N 2.78Å
240I84.8Confident82.4Confident100 Ų100108.2 Ų108.251%0.51358%0.578SS.*Hα-helixtrans-65-40.8175-66.5166.7000110.6I236 L237 M238 S243 V244I236-I240 HydrophobicContact CG2-CD1 4Å; I236-I240 VanDerWaalsContact O-CG1 3.3Å; I236-I240 WeakPolarHBondContact O-CG1 3.37Å; I236-I240 PolarHBondContact O-N 3.42Å; I236-I240 VanDerWaalsContact O-N 3.09Å; L237-I240 PolarHBondContact O-N 3.47Å; M238-I240 VanDerWaalsContact C-N 3.35Å; M238-I240 PolarHBondContact O-N 3.32Å; I240-S243 WeakPolarHBondContact O-CB 3.2Å; I240-S243 PolarHBondContact O-N 2.76Å; I240-V244 WeakPolarHBondContact O-CG2 3.3Å; I240-V244 PolarHBondContact O-N 2.96Å
241L85.8Confident82.4Confident99 Ų99110.4 Ų110.452%0.51858%0.583SS.*Hα-helixtrans-65.5-44.1179-16576.2000111.9L237 M238 V239 S243 V244 L245L237-L241 WeakPolarHBondContact O-CB 3.33Å; L237-L241 PolarHBondContact O-N 3.3Å; M238-L241 PolarHBondContact O-N 3.45Å; V239-L241 VanDerWaalsContact C-N 3.35Å; L241-S243 VanDerWaalsContact C-N 3.35Å; L241-V244 PolarHBondContact O-N 3.29Å; L241-L245 HydrophobicContact CD1-CD1 4.3Å; L241-L245 HydrophobicContact CG-CD1 3.87Å; L241-L245 WeakPolarHBondContact O-CD1 3.3Å; L241-L245 PolarHBondContact O-N 3.49Å
242E85.2Confident82.1Confident147 Ų147109.7 Ų109.769%0.68758%0.581SS**Hα-helixtrans-59.8-44173.1-99.3-174.5155.500111.8M238 V244 L245 S246M238-E242 PolarHBondContact O-N 3.25Å; E242-V244 VanDerWaalsContact C-N 3.28Å; E242-V244 PolarHBondContact O-N 2.72Å; E242-L245 PolarHBondContact O-N 3.21Å; E242-S246 WeakPolarHBondContact O-CB 3.04Å; E242-S246 PolarHBondContact O-N 3.33Å
243S83.4Confident81.8Confident63 Ų63109.8 Ų109.844%0.44158%0.582SS.*Hα-helixtrans-61-34.4176.1159.70000113.2V239 I240 L241 N247V239-S243 WeakPolarHBondContact O-CB 3.39Å; V239-S243 PolarHBondContact O-N 2.78Å; I240-S243 WeakPolarHBondContact O-CB 3.2Å; I240-S243 PolarHBondContact O-N 2.76Å; L241-S243 VanDerWaalsContact C-N 3.35Å; S243-N247 PolarHBondContact O-ND2 2.89Å
244V85.7Confident81.5Confident78 Ų78111.1 Ų111.147%0.47359%0.594SS.*Hα-helixtrans-77.8-41177.91720000110.7I240 L241 E242 N247I240-V244 WeakPolarHBondContact O-CG2 3.3Å; I240-V244 PolarHBondContact O-N 2.96Å; L241-V244 PolarHBondContact O-N 3.29Å; E242-V244 VanDerWaalsContact C-N 3.28Å; E242-V244 PolarHBondContact O-N 2.72Å; V244-N247 PolarHBondContact O-N 3.32Å
245L81.2Confident81.3Confident116 Ų116110.7 Ų110.761%0.60759%0.593SS**Hα-helixtrans-67.9-31.8176.8-96.1103.8000113.2L241 E242 N247 F248L241-L245 HydrophobicContact CD1-CD1 4.3Å; L241-L245 HydrophobicContact CG-CD1 3.87Å; L241-L245 WeakPolarHBondContact O-CD1 3.3Å; L241-L245 PolarHBondContact O-N 3.49Å; E242-L245 PolarHBondContact O-N 3.21Å; L245-N247 PolarHBondContact O-N 2.88Å; L245-F248 PolarHBondContact O-N 2.77Å
246S81.2Confident81.2Confident92 Ų92113.5 Ų113.564%0.64360%0.601SS**THydrogen-bonded Turntrans-75.9-8178.391.90000113.8E242E242-S246 WeakPolarHBondContact O-CB 3.04Å; E242-S246 PolarHBondContact O-N 3.33Å
247N70.2Confident81Confident130 Ų130115.9 Ų115.970%0.69562%0.615SS**THydrogen-bonded Turntrans-98.90.4178.4-82.2-43000113S243 V244 L245S243-N247 PolarHBondContact O-ND2 2.89Å; V244-N247 PolarHBondContact O-N 3.32Å; L245-N247 PolarHBondContact O-N 2.88Å
248F59Low80.7Confident240 Ų240115.9 Ų115.9100%1.05362%0.616SS**  trans-1070169.4-90.1-82.7000110.2L245L245-F248 PolarHBondContact O-N 2.77Å

Retrieved 248 of 248 residues in 75.7 ms (Link to these results)