A0A077YUV1_TRITR Loading...

TspO MBR domain containing protein

AlphaFold DB , UniProt , Accession A0A077YUV1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 171 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
1M49.6Very low61.7Low224 Ų224129.4 Ų129.4100%1.10367%0.674SS**  0112.60-141.7163.2179.500107.3
2R56.4Low61.7Low211 Ų211127.2 Ų127.280%0.79666%0.662SS**  trans-78.8136.1-148.9-61.8176.5-165.9179.44111.9S4 Q5R2-S4 PolarHBondContact O-N 3.1Å; R2-Q5 PolarHBondContact O-N 3.25Å
3L60.7Low61.8Low139 Ų139123.4 Ų123.473%0.72865%0.653SS**Hα-helixtrans-42.1-30.8178.6-151.383.8000114.1Q5 R6 L7L3-Q5 VanDerWaalsContact C-N 3.35Å; L3-Q5 PolarHBondContact O-N 3.33Å; L3-R6 PolarHBondContact O-N 3.49Å; L3-L7 PolarHBondContact O-N 3.46Å
4S60.4Low61.9Low64 Ų64119.4 Ų119.445%0.44864%0.638SS.*Hα-helixtrans-59.4-35.9176.5560000114.3R2 L7 Y8R2-S4 PolarHBondContact O-N 3.1Å; S4-L7 PolarHBondContact O-N 3.32Å; S4-Y8 WeakPolarHBondContact O-CD2 3.36Å; S4-Y8 PolarHBondContact O-N 3.36Å; S4-Y8 VanDerWaalsContact O-N 3.17Å
5Q62.9Low61.7Low128 Ų128117.5 Ų117.560%0.59863%0.627SS**Hα-helixtrans-70.3-35.5178.8-76.6-169-30.700112.4R2 L3 Y8 A9R2-Q5 PolarHBondContact O-N 3.25Å; L3-Q5 VanDerWaalsContact C-N 3.35Å; L3-Q5 PolarHBondContact O-N 3.33Å; Q5-Y8 PolarHBondContact O-N 3.38Å; Q5-A9 PolarHBondContact O-N 3.21Å
6R64.2Low61.8Low207 Ų207114.3 Ų114.378%0.78161%0.614SS**Hα-helixtrans-67-37.9175.6-75.4-174.8135.1-178.9-4.4112L3 A9 A10L3-R6 PolarHBondContact O-N 3.49Å; R6-A9 PolarHBondContact O-N 3.22Å; R6-A10 WeakPolarHBondContact O-CB 3.49Å; R6-A10 PolarHBondContact O-N 3.08Å
7L58.2Low61.8Low61 Ų61118.5 Ų118.532%0.31963%0.626SS.*Hα-helixtrans-67.4-38.8176.8-68.7170000112.3L3 S4 A10 I12L3-L7 PolarHBondContact O-N 3.46Å; S4-L7 PolarHBondContact O-N 3.32Å; L7-A10 PolarHBondContact O-N 3.26Å; L7-I12 PolarHBondContact O-N 2.93Å; L7-I12 VanDerWaalsContact O-O 3.13Å
8Y60.5Low61.7Low164 Ų164119.8 Ų119.864%0.64363%0.628SS**Hα-helixtrans-65.4-39.8173.3-94.7-85.7000112.8S4 Q5 A10 G11S4-Y8 WeakPolarHBondContact O-CD2 3.36Å; S4-Y8 PolarHBondContact O-N 3.36Å; S4-Y8 VanDerWaalsContact O-N 3.17Å; Q5-Y8 PolarHBondContact O-N 3.38Å; Y8-A10 VanDerWaalsContact C-N 3.32Å; Y8-A10 PolarHBondContact O-N 2.98Å; Y8-G11 PolarHBondContact O-N 2.94Å
9A69Low61.5Low93 Ų93119.4 Ų119.477%0.76962%0.621SS**Hα-helixtrans-69.4-27.4177.100000113.2Q5 R6 G11Q5-A9 PolarHBondContact O-N 3.21Å; R6-A9 PolarHBondContact O-N 3.22Å; A9-G11 VanDerWaalsContact C-N 3.26Å; A9-G11 PolarHBondContact O-N 3.48Å
10A72Confident61.2Low63 Ų63121.6 Ų121.652%0.52163%0.625SS.*THydrogen-bonded Turntrans-81.13.8177.100000114.2R6 L7 Y8 I12R6-A10 WeakPolarHBondContact O-CB 3.49Å; R6-A10 PolarHBondContact O-N 3.08Å; L7-A10 PolarHBondContact O-N 3.26Å; Y8-A10 VanDerWaalsContact C-N 3.32Å; Y8-A10 PolarHBondContact O-N 2.98Å; A10-I12 HydrophobicContact CB-CD1 4.13Å; A10-I12 HydrophobicContact CB-CG1 4.23Å; A10-I12 PolarHBondContact O-N 2.9Å; A10-I12 VanDerWaalsContact O-N 3.09Å
11G65Low60.9Low69 Ų69120.9 Ų120.971%0.71162%0.622SS**THydrogen-bonded Turntrans69.12.4-176.500000114.5Y8 A9 S13Y8-G11 PolarHBondContact O-N 2.94Å; A9-G11 VanDerWaalsContact C-N 3.26Å; A9-G11 PolarHBondContact O-N 3.48Å; G11-S13 PolarHBondContact O-N 2.9Å
12I61.9Low61Low103 Ų103116.2 Ų116.253%0.52859%0.593SS.*  trans-8791.8179.8-57.7170.2000107L7 A10 P14L7-I12 PolarHBondContact O-N 2.93Å; L7-I12 VanDerWaalsContact O-O 3.13Å; A10-I12 HydrophobicContact CB-CD1 4.13Å; A10-I12 HydrophobicContact CB-CG1 4.23Å; A10-I12 PolarHBondContact O-N 2.9Å; A10-I12 VanDerWaalsContact O-N 3.09Å; I12-P14 VanDerWaalsContact O-CD 3.23Å; I12-P14 WeakPolarHBondContact O-CD 3.35Å; I12-P14 VanDerWaalsContact O-N 3.14Å
13S62.4Low60.9Low78 Ų78113.3 Ų113.355%0.54559%0.586SS.*  trans-60.5117.9170.966.70000108.6G11 L15G11-S13 PolarHBondContact O-N 2.9Å; S13-L15 PolarHBondContact O-N 3.42Å
14P63.5Low60.5Low68 Ų68115.7 Ų115.744%0.44259%0.586SS.*  trans-75.512.4-176.931.8-35.7000112.6I12 P16I12-P14 VanDerWaalsContact O-CD 3.23Å; I12-P14 WeakPolarHBondContact O-CD 3.35Å; I12-P14 VanDerWaalsContact O-N 3.14Å; P14-P16 WeakPolarHBondContact O-CD 3.4Å
15L59.4Low60.1Low91 Ų91118.3 Ų118.348%0.47659%0.59SS.*  trans-101111.2-174.6-73167.4000109.2S13 F19S13-L15 PolarHBondContact O-N 3.42Å; L15-F19 HydrophobicContact CB-CB 4.43Å; L15-F19 HydrophobicContact CD2-CB 4Å; L15-F19 HydrophobicContact CD2-CD1 4.21Å; L15-F19 HydrophobicContact CD2-CG 4.04Å
16P62.8Low59.5Low65 Ų65119.6 Ų119.642%0.42259%0.59SS.*  trans-59150.2173.525.9-33000109.6P14 E18 F19P14-P16 WeakPolarHBondContact O-CD 3.4Å; P16-E18 HydrophobicContact CB-CG 3.94Å; P16-E18 WeakPolarHBondContact CB-OE1 3.43Å; P16-E18 HydrophobicContact CG-CG 4.15Å; P16-E18 PolarHBondContact O-N 2.91Å; P16-F19 HydrophobicContact CG-CD2 4.21Å; P16-F19 PolarHBondContact O-N 3.27Å
17K61.5Low58.8Low187 Ų187116.1 Ų116.181%0.81358%0.584SS**Hα-helixtrans-56.5-27.8-171.3-70.9179.3-178.2174.50112F19 K20K17-F19 VanDerWaalsContact C-N 3.3Å; K17-F19 PolarHBondContact O-N 3.41Å; K17-K20 PolarHBondContact O-N 3.04Å
18E60.6Low58.3Low141 Ų141120.2 Ų120.266%0.65960%0.599SS**Hα-helixtrans-56-36.1171.725.3-92.3116.800114.2P16 K20 L21 Y22P16-E18 HydrophobicContact CB-CG 3.94Å; P16-E18 WeakPolarHBondContact CB-OE1 3.43Å; P16-E18 HydrophobicContact CG-CG 4.15Å; P16-E18 PolarHBondContact O-N 2.91Å; E18-K20 VanDerWaalsContact C-N 3.33Å; E18-K20 PolarHBondContact O-N 3.37Å; E18-L21 WeakPolarHBondContact O-CB 3.43Å; E18-L21 PolarHBondContact O-N 3.47Å; E18-L21 VanDerWaalsContact O-N 3.1Å; E18-Y22 PolarHBondContact O-N 3.45Å
19F57.2Low57.5Low113 Ų113121.1 Ų121.150%0.49660%0.602SS.*Hα-helixtrans-71.1-26.4-179.9-106.4-88.9000113.2L15 P16 K17 L21 Y22 K23L15-F19 HydrophobicContact CB-CB 4.43Å; L15-F19 HydrophobicContact CD2-CB 4Å; L15-F19 HydrophobicContact CD2-CD1 4.21Å; L15-F19 HydrophobicContact CD2-CG 4.04Å; P16-F19 HydrophobicContact CG-CD2 4.21Å; P16-F19 PolarHBondContact O-N 3.27Å; K17-F19 VanDerWaalsContact C-N 3.3Å; K17-F19 PolarHBondContact O-N 3.41Å; F19-L21 VanDerWaalsContact C-N 3.25Å; F19-L21 PolarHBondContact O-N 3.29Å; F19-Y22 HydrophobicContact CD1-CD1 4.37Å; F19-Y22 HydrophobicContact CE1-CD1 4.3Å; F19-Y22 PolarHBondContact O-N 2.85Å; F19-K23 PolarHBondContact O-N 2.9Å; F19-K23 VanDerWaalsContact O-N 3.12Å
20K55.6Low56.6Low162 Ų162119.2 Ų119.270%0.70459%0.586SS**Hα-helixtrans-65.1-33.2171-88.3-178.4177.8175.30111.1K17 E18 R24K17-K20 PolarHBondContact O-N 3.04Å; E18-K20 VanDerWaalsContact C-N 3.33Å; E18-K20 PolarHBondContact O-N 3.37Å; K20-R24 PolarHBondContact O-N 2.96Å
21L55.8Low55.6Low108 Ų108122.4 Ų122.457%0.56559%0.588SS**Hα-helixtrans-69.6-43.5177-141.378.1000111.1E18 F19 K23 R24 H25E18-L21 WeakPolarHBondContact O-CB 3.43Å; E18-L21 PolarHBondContact O-N 3.47Å; E18-L21 VanDerWaalsContact O-N 3.1Å; F19-L21 VanDerWaalsContact C-N 3.25Å; F19-L21 PolarHBondContact O-N 3.29Å; L21-K23 VanDerWaalsContact C-N 3.31Å; L21-K23 PolarHBondContact O-N 3.11Å; L21-R24 WeakPolarHBondContact O-CB 3.41Å; L21-R24 PolarHBondContact O-N 3.44Å; L21-H25 PolarHBondContact O-CD2 3.02Å; L21-H25 PolarHBondContact O-N 3.02Å
22Y51.2Low54.9Low125 Ų125123.1 Ų123.149%0.4957%0.572SS.*Hα-helixtrans-59.6-39.3175-179.3-119.7000112.8E18 F19 R24 H25 R26E18-Y22 PolarHBondContact O-N 3.45Å; F19-Y22 HydrophobicContact CD1-CD1 4.37Å; F19-Y22 HydrophobicContact CE1-CD1 4.3Å; F19-Y22 PolarHBondContact O-N 2.85Å; Y22-R24 VanDerWaalsContact C-N 3.29Å; Y22-R24 PolarHBondContact O-N 3.43Å; Y22-H25 PolarHBondContact O-N 3.49Å; Y22-R26 PolarHBondContact O-N 2.73Å
23K53.6Low54.3Low150 Ų150126.2 Ų126.265%0.65258%0.584SS**Hα-helixtrans-64.4-34.5175-144.9177.8-171.9-177.80111.8F19 L21 R26 M27F19-K23 PolarHBondContact O-N 2.9Å; F19-K23 VanDerWaalsContact O-N 3.12Å; L21-K23 VanDerWaalsContact C-N 3.31Å; L21-K23 PolarHBondContact O-N 3.11Å; K23-R26 PolarHBondContact O-N 3.38Å; K23-M27 WeakPolarHBondContact O-CG 3.21Å; K23-M27 PolarHBondContact O-N 2.61Å; K23-M27 VanDerWaalsContact O-N 3.11Å
24R53Low53.7Low190 Ų190131.7 Ų131.772%0.71760%0.598SS**Hα-helixtrans-68.4-32.6178.1-148.9175.4-171.4-175.12112.5K20 L21 Y22K20-R24 PolarHBondContact O-N 2.96Å; L21-R24 WeakPolarHBondContact O-CB 3.41Å; L21-R24 PolarHBondContact O-N 3.44Å; Y22-R24 VanDerWaalsContact C-N 3.29Å; Y22-R24 PolarHBondContact O-N 3.43Å
25H51.9Low53.3Low118 Ų118130.1 Ų130.155%0.54659%0.586SS.*Hα-helixtrans-73.1-37.6173.5-80.3-97.1000112.8L21 Y22 M27 K28L21-H25 PolarHBondContact O-CD2 3.02Å; L21-H25 PolarHBondContact O-N 3.02Å; Y22-H25 PolarHBondContact O-N 3.49Å; H25-M27 PolarHBondContact O-N 3.4Å; H25-K28 PolarHBondContact O-N 2.88Å
26R51.2Low53.1Low156 Ų156130.2 Ų130.259%0.58959%0.59SS**Hα-helixtrans-67.2-32.5173.9-105.7-164-77.3-166.81113.8Y22 K23 K28 W29 A30Y22-R26 PolarHBondContact O-N 2.73Å; K23-R26 PolarHBondContact O-N 3.38Å; R26-K28 VanDerWaalsContact C-N 3.26Å; R26-K28 PolarHBondContact O-N 2.99Å; R26-W29 PolarHBondContact O-N 2.7Å; R26-A30 PolarHBondContact O-N 3.28Å
27M49.4Very low52.7Low134 Ų134132 Ų13266%0.6659%0.591SS**Hα-helixtrans-67.9-23.4179.8-69.8-76.2-81.900113.2K23 H25 W29 A30K23-M27 WeakPolarHBondContact O-CG 3.21Å; K23-M27 PolarHBondContact O-N 2.61Å; K23-M27 VanDerWaalsContact O-N 3.11Å; H25-M27 PolarHBondContact O-N 3.4Å; M27-W29 VanDerWaalsContact C-N 3.33Å; M27-A30 PolarHBondContact O-N 3.27Å
28K47.7Very low52.5Low146 Ų146124.1 Ų124.164%0.63556%0.559SS**Hα-helixtrans-67.3-33.5173.9-70.7-173.6175.5-178.30112.2H25 R26H25-K28 PolarHBondContact O-N 2.88Å; R26-K28 VanDerWaalsContact C-N 3.26Å; R26-K28 PolarHBondContact O-N 2.99Å
29W43.6Very low52.5Low184 Ų184123.5 Ų123.570%0.69757%0.57SS**Hα-helixtrans-76.6-28.5178-65.498.5000113.4R26 M27 F31 F32 Q33R26-W29 PolarHBondContact O-N 2.7Å; M27-W29 VanDerWaalsContact C-N 3.33Å; W29-F31 VanDerWaalsContact C-N 3.26Å; W29-F31 PolarHBondContact O-N 3.2Å; W29-F32 PolarHBondContact O-N 2.98Å; W29-Q33 PolarHBondContact O-N 3.18Å
30A49.4Very low52.8Low53 Ų53122.8 Ų122.844%0.43857%0.571SS.*Hα-helixtrans-65.3-28.5177.200000112.9R26 M27R26-A30 PolarHBondContact O-N 3.28Å; M27-A30 PolarHBondContact O-N 3.27Å
31F51.5Low53.2Low129 Ų129117.5 Ų117.557%0.56655%0.553SS**Hα-helixtrans-69.7-40.8174-170.8-103.6000111.3W29 Q33 K34 L35W29-F31 VanDerWaalsContact C-N 3.26Å; W29-F31 PolarHBondContact O-N 3.2Å; F31-Q33 VanDerWaalsContact C-N 3.32Å; F31-Q33 PolarHBondContact O-N 3.31Å; F31-K34 PolarHBondContact O-N 3.33Å; F31-L35 HydrophobicContact CD1-CD1 4.25Å; F31-L35 HydrophobicContact CE1-CD1 4.19Å; F31-L35 WeakPolarHBondContact O-CD1 3.28Å
32F49.2Very low53.7Low85 Ų85114.1 Ų114.137%0.37354%0.537SS..Hα-helixtrans-70-21.9179-84.7-82.8000115W29 K37 F97W29-F32 PolarHBondContact O-N 2.98Å; F32-K37 VanDerWaalsContact O-CE 3.25Å; F32-K37 WeakPolarHBondContact O-CE 3.38Å; F32-K37 PolarHBondContact O-NZ 2.96Å; F32-F97 HydrophobicContact CZ-CE1 4.29Å
33Q50.7Low54.7Low168 Ų168112.3 Ų112.379%0.78554%0.54SS*.Hα-helixtrans-77.9-20.1175.8-76.2-93.8-3000112.8W29 F31W29-Q33 PolarHBondContact O-N 3.18Å; F31-Q33 VanDerWaalsContact C-N 3.32Å; F31-Q33 PolarHBondContact O-N 3.31Å
34K50.1Low55.7Low192 Ų192109.8 Ų109.884%0.83554%0.542SS*.SBendtrans-91.4-6.1-179.7-79.7-171.6175.8-174.80114.9F31F31-K34 PolarHBondContact O-N 3.33Å
35L53.6Low56.9Low35 Ų35110.4 Ų110.418%0.18354%0.544CS..SBendtrans-82.1129.1174.4-7697.5000109.5F31 K37 I152F31-L35 HydrophobicContact CD1-CD1 4.25Å; F31-L35 HydrophobicContact CE1-CD1 4.19Å; F31-L35 WeakPolarHBondContact O-CD1 3.28Å; L35-K37 PolarHBondContact O-N 3.08Å; L35-I152 HydrophobicContact CD2-CG2 4.44Å
36V54.8Low58.3Low94 Ų94107.9 Ų107.957%0.5753%0.534SS*.  trans-63.2109.3166.5-172.80000106.8M155V36-M155 HydrophobicContact CB-CE 4.32Å; V36-M155 HydrophobicContact CG1-CE 3.39Å
37K55.7Low59.5Low102 Ų102104.2 Ų104.244%0.44352%0.523SS..  trans-96.1139.8176.6-66.4176.4-171.4176.20108.3F32 L35 T41F32-K37 VanDerWaalsContact O-CE 3.25Å; F32-K37 WeakPolarHBondContact O-CE 3.38Å; F32-K37 PolarHBondContact O-NZ 2.96Å; L35-K37 PolarHBondContact O-N 3.08Å; K37-T41 HydrophobicContact CD-CG2 4.49Å
38P56.6Low61Low22 Ų22101.2 Ų101.214%0.14352%0.515CS..  trans-62.4145.8168.428.1-34000109.6L40 T41 L148 A151 I152 M155P38-L40 PolarHBondContact O-N 3.47Å; P38-T41 PolarHBondContact O-N 3.14Å; P38-T41 VanDerWaalsContact O-N 3.1Å; P38-T41 PolarHBondContact O-OG1 3.42Å; P38-L148 HydrophobicContact CG-CD1 3.44Å; P38-L148 VanDerWaalsContact CG-CD1 3.44Å; P38-A151 HydrophobicContact CG-CB 4.27Å; P38-I152 HydrophobicContact CG-CG1 4.35Å; P38-M155 HydrophobicContact CB-SD 4.36Å
39S60.1Low62.8Low127 Ų127100 Ų10089%0.88851%0.51SS*.THydrogen-bonded Turntrans-56.7-20.4-177.749.90000113.8T41S39-T41 VanDerWaalsContact C-N 3.27Å; S39-T41 PolarHBondContact O-N 3.01Å
40L64.3Low64.8Low99 Ų9995.2 Ų95.252%0.51849%0.494SS..THydrogen-bonded Turntrans-80.911.6176.8-99.499.9000115.2P38 P42 F144P38-L40 PolarHBondContact O-N 3.47Å; L40-P42 WeakPolarHBondContact O-CD 3.4Å; L40-F144 HydrophobicContact CD2-CE2 3.69Å; L40-F144 HydrophobicContact CD2-CZ 4.06Å
41T64.8Low66.5Low51 Ų5194.6 Ų94.631%0.31348%0.481SS..  trans-73.7110.9177.7-48.80000109.6K37 P38 S39 L148K37-T41 HydrophobicContact CD-CG2 4.49Å; P38-T41 PolarHBondContact O-N 3.14Å; P38-T41 VanDerWaalsContact O-N 3.1Å; P38-T41 PolarHBondContact O-OG1 3.42Å; S39-T41 VanDerWaalsContact C-N 3.27Å; S39-T41 PolarHBondContact O-N 3.01Å; T41-L148 HydrophobicContact CG2-CD2 4.37Å
42P64.5Low68.2Low36 Ų3692.1 Ų92.123%0.23448%0.476CS..  trans-66.6151.5179.629.2-34.6000110.5L40 I46 W141 F144L40-P42 WeakPolarHBondContact O-CD 3.4Å; P42-I46 HydrophobicContact CB-CB 4.15Å; P42-I46 HydrophobicContact CB-CD1 4.33Å; P42-I46 HydrophobicContact CB-CG2 4.13Å; P42-W141 HydrophobicContact CG-CH2 4.41Å; P42-F144 HydrophobicContact CG-CE1 4.38Å
43P73.5Confident70.1Confident87 Ų8791.7 Ų91.757%0.56548%0.48SS*.  trans-47.9141.7171.6-2730.3000112.3W45 I46P43-W45 PolarHBondContact O-N 2.87Å; P43-W45 VanDerWaalsContact O-N 3.07Å; P43-I46 HydrophobicContact CB-CD1 4.48Å; P43-I46 HydrophobicContact CB-CG1 4.23Å; P43-I46 HydrophobicContact CG-CD1 4.08Å; P43-I46 HydrophobicContact CG-CG1 4.37Å; P43-I46 WeakPolarHBondContact O-CB 3.07Å; P43-I46 PolarHBondContact O-N 2.85Å
44S74.6Confident72Confident98 Ų9883.9 Ų83.969%0.68544%0.444SS*.Hα-helixtrans-56-28.7-176.759.10000114.7F47 S48S44-F47 WeakPolarHBondContact O-CB 3.24Å; S44-F47 PolarHBondContact O-N 3.36Å; S44-S48 PolarHBondContact O-N 3.41Å; S44-S48 PolarHBondContact O-OG 2.86Å
45W77.3Confident73.7Confident202 Ų20278.8 Ų78.877%0.76542%0.42SS*.Hα-helixtrans-62-47.9172.2171.65.3000111P43 F47 S48 F49P43-W45 PolarHBondContact O-N 2.87Å; P43-W45 VanDerWaalsContact O-N 3.07Å; W45-F47 PolarHBondContact O-N 3.27Å; W45-F47 VanDerWaalsContact O-N 3.16Å; W45-S48 WeakPolarHBondContact O-CA 3.47Å; W45-S48 WeakPolarHBondContact O-CB 3.48Å; W45-S48 PolarHBondContact O-N 3.24Å; W45-F49 PolarHBondContact O-N 3.45Å
46I82.3Confident75.5Confident65 Ų6584.6 Ų84.633%0.33344%0.444SS..Hα-helixtrans-53.7-44.1-179.5-60.8-168.8000110P42 P43 S48 F49 F50 W141P42-I46 HydrophobicContact CB-CB 4.15Å; P42-I46 HydrophobicContact CB-CD1 4.33Å; P42-I46 HydrophobicContact CB-CG2 4.13Å; P43-I46 HydrophobicContact CB-CD1 4.48Å; P43-I46 HydrophobicContact CB-CG1 4.23Å; P43-I46 HydrophobicContact CG-CD1 4.08Å; P43-I46 HydrophobicContact CG-CG1 4.37Å; P43-I46 WeakPolarHBondContact O-CB 3.07Å; P43-I46 PolarHBondContact O-N 2.85Å; I46-S48 VanDerWaalsContact C-N 3.34Å; I46-S48 PolarHBondContact O-N 3.34Å; I46-F49 PolarHBondContact O-N 3.47Å; I46-F50 HydrophobicContact CG2-CD2 3.4Å; I46-F50 HydrophobicContact CG2-CE2 3.41Å; I46-F50 VanDerWaalsContact CG2-CE2 3.41Å; I46-F50 VanDerWaalsContact O-CD2 3.25Å; I46-F50 WeakPolarHBondContact O-CD2 3.33Å; I46-F50 PolarHBondContact O-N 2.93Å; I46-W141 HydrophobicContact CG2-CH2 4.33Å
47F76.7Confident77.1Confident79 Ų7980.9 Ų80.935%0.34642%0.423SS..Hα-helixtrans-55-48.3175.9-168.9-100.6000112.3S44 W45 F50 W51 W141S44-F47 WeakPolarHBondContact O-CB 3.24Å; S44-F47 PolarHBondContact O-N 3.36Å; W45-F47 PolarHBondContact O-N 3.27Å; W45-F47 VanDerWaalsContact O-N 3.16Å; F47-F50 PolarHBondContact O-N 2.9Å; F47-W51 AromaticContact CD1-CD1 3.46Å; F47-W51 VanDerWaalsContact CD1-CD1 3.46Å; F47-W51 AromaticContact CD1-NE1 3.55Å; F47-W51 AromaticContact CD2-NE1 3.64Å; F47-W51 AromaticContact CE1-CD1 3.38Å; F47-W51 AromaticContact CE1-NE1 3.08Å; F47-W51 AromaticContact CE2-NE1 3.18Å; F47-W51 AromaticContact CG-CD1 3.87Å; F47-W51 AromaticContact CG-NE1 3.83Å; F47-W51 AromaticContact CZ-CD1 3.72Å; F47-W51 AromaticContact CZ-CE2 3.86Å; F47-W51 HydrophobicContact CZ-CZ2 4.28Å; F47-W51 AromaticContact CZ-NE1 2.9Å; F47-W51 PolarHBondContact O-N 3.26Å; F47-W51 VanDerWaalsContact O-N 3.1Å; F47-W141 AromaticContact CD2-CZ2 3.93Å; F47-W141 HydrophobicContact CD2-CZ2 3.93Å
48S80.3Confident78.6Confident72 Ų7276.1 Ų76.150%0.50340%0.402SS..Hα-helixtrans-64.6-42.6-179.7-540000112.3S44 W45 I46 W51 T52S44-S48 PolarHBondContact O-N 3.41Å; S44-S48 PolarHBondContact O-OG 2.86Å; W45-S48 WeakPolarHBondContact O-CA 3.47Å; W45-S48 WeakPolarHBondContact O-CB 3.48Å; W45-S48 PolarHBondContact O-N 3.24Å; I46-S48 VanDerWaalsContact C-N 3.34Å; I46-S48 PolarHBondContact O-N 3.34Å; S48-W51 PolarHBondContact O-N 2.98Å; S48-T52 PolarHBondContact O-N 2.91Å; S48-T52 VanDerWaalsContact O-N 3.16Å; S48-T52 PolarHBondContact O-OG1 3.1Å
49F85.9Confident80.2Confident119 Ų11976.6 Ų76.652%0.52241%0.411SS..Hα-helixtrans-62.1-47.8178.6178.6-96.8000111.9W45 I46 W51 T52 V53W45-F49 PolarHBondContact O-N 3.45Å; I46-F49 PolarHBondContact O-N 3.47Å; F49-W51 PolarHBondContact O-N 3.4Å; F49-T52 PolarHBondContact O-N 3.36Å; F49-V53 HydrophobicContact CD1-CG2 4.5Å; F49-V53 HydrophobicContact CE1-CG2 4.09Å; F49-V53 HydrophobicContact CZ-CG2 4.15Å; F49-V53 PolarHBondContact O-N 2.93Å; F49-V53 VanDerWaalsContact O-N 3.16Å
50F85.6Confident81.7Confident85 Ų8576.2 Ų76.237%0.37339%0.391SS..Hα-helixtrans-62.1-44.8179.1-88.5-93.9000111.4I46 F47 T52 V53 L54 W141I46-F50 HydrophobicContact CG2-CD2 3.4Å; I46-F50 HydrophobicContact CG2-CE2 3.41Å; I46-F50 VanDerWaalsContact CG2-CE2 3.41Å; I46-F50 VanDerWaalsContact O-CD2 3.25Å; I46-F50 WeakPolarHBondContact O-CD2 3.33Å; I46-F50 PolarHBondContact O-N 2.93Å; F47-F50 PolarHBondContact O-N 2.9Å; F50-T52 VanDerWaalsContact C-N 3.32Å; F50-T52 PolarHBondContact O-N 3.38Å; F50-V53 PolarHBondContact O-N 3.48Å; F50-L54 WeakPolarHBondContact O-CB 3.37Å; F50-L54 WeakPolarHBondContact O-CD1 3.42Å; F50-L54 WeakPolarHBondContact O-CG 3.43Å; F50-L54 PolarHBondContact O-N 3.08Å; F50-W141 HydrophobicContact CB-CD2 4.3Å; F50-W141 HydrophobicContact CB-CE3 4.48Å; F50-W141 HydrophobicContact CB-CH2 4.06Å; F50-W141 HydrophobicContact CB-CZ2 3.84Å; F50-W141 HydrophobicContact CB-CZ3 4.37Å; F50-W141 HydrophobicContact CD1-CD2 4.17Å; F50-W141 AromaticContact CD1-CE3 3.75Å; F50-W141 HydrophobicContact CD1-CE3 3.75Å; F50-W141 HydrophobicContact CD1-CH2 4.4Å; F50-W141 AromaticContact CD1-CZ3 3.88Å; F50-W141 HydrophobicContact CD1-CZ3 3.88Å; F50-W141 HydrophobicContact CD2-CH2 4.02Å; F50-W141 HydrophobicContact CD2-CZ3 4.06Å; F50-W141 HydrophobicContact CE1-CE3 4.12Å; F50-W141 HydrophobicContact CE1-CZ3 4.14Å; F50-W141 HydrophobicContact CE2-CZ3 4.3Å; F50-W141 HydrophobicContact CG-CD2 4.36Å; F50-W141 HydrophobicContact CG-CE3 4.07Å; F50-W141 AromaticContact CG-CH2 3.89Å; F50-W141 HydrophobicContact CG-CH2 3.89Å; F50-W141 HydrophobicContact CG-CZ2 4.19Å; F50-W141 AromaticContact CG-CZ3 3.82Å; F50-W141 HydrophobicContact CG-CZ3 3.82Å; F50-W141 HydrophobicContact CZ-CZ3 4.33Å
51W84.1Confident82.9Confident39 Ų3971.5 Ų71.515%0.14837%0.366CS..Hα-helixtrans-59.9-40.5177.2-78.6113.5000113F47 S48 F49 L54 Y55 N90 Y138 W141F47-W51 AromaticContact CD1-CD1 3.46Å; F47-W51 VanDerWaalsContact CD1-CD1 3.46Å; F47-W51 AromaticContact CD1-NE1 3.55Å; F47-W51 AromaticContact CD2-NE1 3.64Å; F47-W51 AromaticContact CE1-CD1 3.38Å; F47-W51 AromaticContact CE1-NE1 3.08Å; F47-W51 AromaticContact CE2-NE1 3.18Å; F47-W51 AromaticContact CG-CD1 3.87Å; F47-W51 AromaticContact CG-NE1 3.83Å; F47-W51 AromaticContact CZ-CD1 3.72Å; F47-W51 AromaticContact CZ-CE2 3.86Å; F47-W51 HydrophobicContact CZ-CZ2 4.28Å; F47-W51 AromaticContact CZ-NE1 2.9Å; F47-W51 PolarHBondContact O-N 3.26Å; F47-W51 VanDerWaalsContact O-N 3.1Å; S48-W51 PolarHBondContact O-N 2.98Å; F49-W51 PolarHBondContact O-N 3.4Å; W51-L54 HydrophobicContact CE3-CD1 4.37Å; W51-L54 PolarHBondContact O-N 2.85Å; W51-Y55 HydrophobicContact CB-CD2 4.35Å; W51-Y55 HydrophobicContact CB-CE2 4.3Å; W51-Y55 HydrophobicContact CE3-CD2 4.49Å; W51-Y55 AromaticContact CE3-CE2 3.95Å; W51-Y55 HydrophobicContact CE3-CE2 3.95Å; W51-Y55 WeakPolarHBondContact O-CB 3.42Å; W51-Y55 WeakPolarHBondContact O-CD2 3.37Å; W51-Y55 PolarHBondContact O-N 3.5Å; W51-N90 VanDerWaalsContact CH2-ND2 3.28Å; W51-N90 WeakPolarHBondContact CH2-ND2 3.26Å; W51-N90 VanDerWaalsContact CZ3-ND2 3.3Å; W51-N90 WeakPolarHBondContact CZ3-ND2 3.31Å; W51-Y138 HydrophobicContact CH2-CE2 4.23Å; W51-Y138 AromaticContact CZ3-CE2 3.87Å; W51-Y138 HydrophobicContact CZ3-CE2 3.87Å; W51-W141 AromaticContact CE2-NE1 3.98Å
52T87.7Confident84Confident78 Ų7870.3 Ų70.348%0.47936%0.36SS..Hα-helixtrans-58.1-52.4175.1-59.20000110.9S48 F49 F50 L54 Y55 F56S48-T52 PolarHBondContact O-N 2.91Å; S48-T52 VanDerWaalsContact O-N 3.16Å; S48-T52 PolarHBondContact O-OG1 3.1Å; F49-T52 PolarHBondContact O-N 3.36Å; F50-T52 VanDerWaalsContact C-N 3.32Å; F50-T52 PolarHBondContact O-N 3.38Å; T52-L54 VanDerWaalsContact C-N 3.28Å; T52-L54 PolarHBondContact O-N 3.37Å; T52-Y55 PolarHBondContact O-N 3.18Å; T52-F56 HydrophobicContact CG2-CD2 3.89Å; T52-F56 HydrophobicContact CG2-CE2 3.79Å; T52-F56 VanDerWaalsContact O-CD2 3.23Å; T52-F56 WeakPolarHBondContact O-CD2 3.29Å; T52-F56 PolarHBondContact O-N 3.05Å; T52-F56 VanDerWaalsContact O-N 3.1Å
53V90Very high85.2Confident75 Ų7573.5 Ų73.546%0.45537%0.37SS..Hα-helixtrans-59.1-41.5179175.80000111.4F49 F50 F56 S57F49-V53 HydrophobicContact CD1-CG2 4.5Å; F49-V53 HydrophobicContact CE1-CG2 4.09Å; F49-V53 HydrophobicContact CZ-CG2 4.15Å; F49-V53 PolarHBondContact O-N 2.93Å; F49-V53 VanDerWaalsContact O-N 3.16Å; F50-V53 PolarHBondContact O-N 3.48Å; V53-F56 PolarHBondContact O-N 3.28Å; V53-S57 PolarHBondContact O-N 3.29Å
54L88.7Confident85.9Confident4 Ų469.4 Ų69.42%0.02134%0.344CS..Hα-helixtrans-68-39.8-179.6-69.2169.9000112.7F50 W51 T52 F56 S57 M58 Y138 W141F50-L54 WeakPolarHBondContact O-CB 3.37Å; F50-L54 WeakPolarHBondContact O-CD1 3.42Å; F50-L54 WeakPolarHBondContact O-CG 3.43Å; F50-L54 PolarHBondContact O-N 3.08Å; W51-L54 HydrophobicContact CE3-CD1 4.37Å; W51-L54 PolarHBondContact O-N 2.85Å; T52-L54 VanDerWaalsContact C-N 3.28Å; T52-L54 PolarHBondContact O-N 3.37Å; L54-F56 VanDerWaalsContact C-N 3.33Å; L54-S57 WeakPolarHBondContact CA-OG 3.38Å; L54-S57 PolarHBondContact O-N 3.01Å; L54-S57 PolarHBondContact O-OG 2.98Å; L54-M58 HydrophobicContact CB-CE 4.02Å; L54-M58 VanDerWaalsContact O-CB 3.3Å; L54-M58 WeakPolarHBondContact O-CB 3.14Å; L54-M58 VanDerWaalsContact O-CG 3.23Å; L54-M58 WeakPolarHBondContact O-CG 3.45Å; L54-M58 PolarHBondContact O-N 2.85Å; L54-Y138 HydrophobicContact CB-CD2 4.37Å; L54-Y138 HydrophobicContact CD1-CD2 3.94Å; L54-Y138 VanDerWaalsContact CD2-CA 3.47Å; L54-Y138 HydrophobicContact CD2-CD2 3.9Å; L54-Y138 HydrophobicContact CD2-CG 4.16Å; L54-Y138 HydrophobicContact CG-CD2 4.29Å; L54-W141 HydrophobicContact CD1-CB 4.09Å; L54-W141 VanDerWaalsContact CD1-CD1 3.41Å; L54-W141 HydrophobicContact CD1-CG 3.77Å
55Y87.6Confident86.5Confident86 Ų8664.8 Ų64.834%0.33731%0.311SS..Hα-helixtrans-65.8-39175.3-81.4-60.5000111.7W51 T52 G59 L87 N90W51-Y55 HydrophobicContact CB-CD2 4.35Å; W51-Y55 HydrophobicContact CB-CE2 4.3Å; W51-Y55 HydrophobicContact CE3-CD2 4.49Å; W51-Y55 AromaticContact CE3-CE2 3.95Å; W51-Y55 HydrophobicContact CE3-CE2 3.95Å; W51-Y55 WeakPolarHBondContact O-CB 3.42Å; W51-Y55 WeakPolarHBondContact O-CD2 3.37Å; W51-Y55 PolarHBondContact O-N 3.5Å; T52-Y55 PolarHBondContact O-N 3.18Å; Y55-G59 PolarHBondContact O-N 3.45Å; Y55-L87 HydrophobicContact CE1-CD1 4.26Å; Y55-N90 PolarHBondContact OH-OD1 3.1Å
56F90.6Very high87Confident156 Ų15661.3 Ų61.368%0.68430%0.298SS*.Hα-helixtrans-62.7-46.2172.6-85.7-72.2000111.9T52 V53 L54 M58 G59 Y60T52-F56 HydrophobicContact CG2-CD2 3.89Å; T52-F56 HydrophobicContact CG2-CE2 3.79Å; T52-F56 VanDerWaalsContact O-CD2 3.23Å; T52-F56 WeakPolarHBondContact O-CD2 3.29Å; T52-F56 PolarHBondContact O-N 3.05Å; T52-F56 VanDerWaalsContact O-N 3.1Å; V53-F56 PolarHBondContact O-N 3.28Å; L54-F56 VanDerWaalsContact C-N 3.33Å; F56-M58 PolarHBondContact O-N 3.37Å; F56-G59 PolarHBondContact O-N 3.27Å; F56-Y60 WeakPolarHBondContact O-CB 3.31Å; F56-Y60 PolarHBondContact O-N 2.89Å
57S89.4Confident87.2Confident17 Ų1764.9 Ų64.912%0.11931%0.307CS..Hα-helixtrans-66.1-38.4179.372.60000112.1V53 L54 Y60 A61V53-S57 PolarHBondContact O-N 3.29Å; L54-S57 WeakPolarHBondContact CA-OG 3.38Å; L54-S57 PolarHBondContact O-N 3.01Å; L54-S57 PolarHBondContact O-OG 2.98Å; S57-Y60 PolarHBondContact O-N 3.42Å; S57-A61 WeakPolarHBondContact O-CB 3.36Å; S57-A61 PolarHBondContact O-N 3.27Å
58M87Confident87.6Confident1 Ų164.7 Ų64.71%0.00531%0.31CS..Hα-helixtrans-62.5-47.3174.6-79.7-172.9-125.500112.3L54 F56 A61 S62 Y83 F135 Y138L54-M58 HydrophobicContact CB-CE 4.02Å; L54-M58 VanDerWaalsContact O-CB 3.3Å; L54-M58 WeakPolarHBondContact O-CB 3.14Å; L54-M58 VanDerWaalsContact O-CG 3.23Å; L54-M58 WeakPolarHBondContact O-CG 3.45Å; L54-M58 PolarHBondContact O-N 2.85Å; F56-M58 PolarHBondContact O-N 3.37Å; M58-A61 PolarHBondContact O-N 2.84Å; M58-S62 WeakPolarHBondContact O-CB 3.27Å; M58-S62 PolarHBondContact O-N 3.27Å; M58-S62 PolarHBondContact O-OG 3.11Å; M58-Y83 HydrophobicContact CB-CE2 3.95Å; M58-Y83 HydrophobicContact CG-CE2 4.22Å; M58-Y83 HydrophobicContact SD-CE2 4.18Å; M58-F135 HydrophobicContact CB-CE2 4.41Å; M58-F135 HydrophobicContact CB-CZ 4.35Å; M58-F135 HydrophobicContact CG-CE1 4.36Å; M58-F135 HydrophobicContact CG-CE2 4.07Å; M58-F135 HydrophobicContact CG-CZ 3.75Å; M58-Y138 HydrophobicContact CE-CD1 3.64Å; M58-Y138 HydrophobicContact CE-CD2 3.5Å; M58-Y138 VanDerWaalsContact CE-CD2 3.5Å; M58-Y138 HydrophobicContact CE-CE1 3.36Å; M58-Y138 HydrophobicContact CE-CE2 3.23Å; M58-Y138 HydrophobicContact CE-CG 3.71Å; M58-Y138 HydrophobicContact CG-CD1 4.24Å; M58-Y138 HydrophobicContact CG-CE1 4.4Å; M58-Y138 HydrophobicContact SD-CD1 4.09Å; M58-Y138 HydrophobicContact SD-CE1 3.68Å
59G89.3Confident87.5Confident33 Ų3361.5 Ų61.534%0.3429%0.288SS..Hα-helixtrans-59.5-48.1177.500000111.3Y55 F56 S62 F63Y55-G59 PolarHBondContact O-N 3.45Å; F56-G59 PolarHBondContact O-N 3.27Å; G59-S62 PolarHBondContact O-N 3.37Å; G59-S62 PolarHBondContact O-OG 3.45Å; G59-F63 PolarHBondContact O-N 2.77Å; G59-F63 VanDerWaalsContact O-N 3.11Å
60Y91.3Very high87.1Confident119 Ų11962.5 Ų62.547%0.46730%0.299SS..Hα-helixtrans-65.6-41.9179-170.5-110.3000113F56 S57 F63 L64 L134F56-Y60 WeakPolarHBondContact O-CB 3.31Å; F56-Y60 PolarHBondContact O-N 2.89Å; S57-Y60 PolarHBondContact O-N 3.42Å; Y60-F63 WeakPolarHBondContact O-CB 3.48Å; Y60-F63 PolarHBondContact O-N 3.04Å; Y60-L64 HydrophobicContact CD1-CD1 3.97Å; Y60-L64 HydrophobicContact CD1-CG 4.47Å; Y60-L64 HydrophobicContact CE1-CD1 3.67Å; Y60-L64 HydrophobicContact CE1-CG 4.18Å; Y60-L64 WeakPolarHBondContact O-CG 3.21Å; Y60-L64 PolarHBondContact O-N 3.16Å; Y60-L134 HydrophobicContact CD1-CD1 3.61Å; Y60-L134 HydrophobicContact CE1-CD1 4.11Å
61A89.7Confident86.5Confident0 Ų059.2 Ų59.20%029%0.289CS..Hα-helixtrans-66.5-37.9176.500000112.5S57 M58 F63 L64 V65 F124 A131 L134 F135S57-A61 WeakPolarHBondContact O-CB 3.36Å; S57-A61 PolarHBondContact O-N 3.27Å; M58-A61 PolarHBondContact O-N 2.84Å; A61-F63 VanDerWaalsContact C-N 3.29Å; A61-F63 PolarHBondContact O-N 3.43Å; A61-L64 PolarHBondContact O-N 3.44Å; A61-V65 WeakPolarHBondContact O-CG2 3.48Å; A61-V65 PolarHBondContact O-N 3.41Å; A61-F124 HydrophobicContact CB-CD2 4.27Å; A61-F124 HydrophobicContact CB-CE2 4.03Å; A61-A131 HydrophobicContact CB-CB 4.15Å; A61-L134 HydrophobicContact CB-CB 4.06Å; A61-L134 HydrophobicContact CB-CD1 4.14Å; A61-F135 HydrophobicContact CB-CD2 3.61Å; A61-F135 HydrophobicContact CB-CE2 3.6Å
62S88Confident85.6Confident25 Ų2561.2 Ų61.218%0.17531%0.309CS..Hα-helixtrans-62.9-37.7174.3740000112M58 G59 V65 W66M58-S62 WeakPolarHBondContact O-CB 3.27Å; M58-S62 PolarHBondContact O-N 3.27Å; M58-S62 PolarHBondContact O-OG 3.11Å; G59-S62 PolarHBondContact O-N 3.37Å; G59-S62 PolarHBondContact O-OG 3.45Å; S62-V65 PolarHBondContact O-N 3.46Å; S62-W66 WeakPolarHBondContact O-CB 3.18Å; S62-W66 PolarHBondContact O-N 3.19Å
63F89Confident84.6Confident103 Ų10366.8 Ų66.845%0.45233%0.329SS..Hα-helixtrans-65.5-42.9174.7175.2-101.1000112G59 Y60 A61 W66 R67G59-F63 PolarHBondContact O-N 2.77Å; G59-F63 VanDerWaalsContact O-N 3.11Å; Y60-F63 WeakPolarHBondContact O-CB 3.48Å; Y60-F63 PolarHBondContact O-N 3.04Å; A61-F63 VanDerWaalsContact C-N 3.29Å; A61-F63 PolarHBondContact O-N 3.43Å; F63-W66 HydrophobicContact CD2-CE3 4.42Å; F63-W66 HydrophobicContact CE2-CE3 4.41Å; F63-W66 HydrophobicContact CE2-CZ3 4.4Å; F63-W66 PolarHBondContact O-N 3.08Å; F63-R67 WeakPolarHBondContact O-CB 3.49Å; F63-R67 PolarHBondContact O-N 2.9Å
64L88.3Confident84Confident2 Ų264.4 Ų64.41%0.0132%0.32CS..Hα-helixtrans-61.5-44.5175.1-72.8173.5000112.5Y60 A61 R67 D68 M130 A131 L134Y60-L64 HydrophobicContact CD1-CD1 3.97Å; Y60-L64 HydrophobicContact CD1-CG 4.47Å; Y60-L64 HydrophobicContact CE1-CD1 3.67Å; Y60-L64 HydrophobicContact CE1-CG 4.18Å; Y60-L64 WeakPolarHBondContact O-CG 3.21Å; Y60-L64 PolarHBondContact O-N 3.16Å; A61-L64 PolarHBondContact O-N 3.44Å; L64-R67 PolarHBondContact O-N 3.15Å; L64-D68 WeakPolarHBondContact O-CB 3.23Å; L64-D68 PolarHBondContact O-N 2.83Å; L64-M130 HydrophobicContact CD1-CB 4.36Å; L64-M130 HydrophobicContact CD1-CG 4.17Å; L64-M130 HydrophobicContact CD1-SD 4.1Å; L64-A131 HydrophobicContact CB-CB 4.31Å; L64-L134 HydrophobicContact CD1-CD1 3.8Å
65V88Confident83.6Confident0 Ų067.6 Ų67.60%035%0.347CS..Hα-helixtrans-64.3-41.7177.5170.10000111.1A61 S62 G69 A76 P79 F124 V127 A131A61-V65 WeakPolarHBondContact O-CG2 3.48Å; A61-V65 PolarHBondContact O-N 3.41Å; S62-V65 PolarHBondContact O-N 3.46Å; V65-G69 WeakPolarHBondContact O-CA 3.09Å; V65-G69 PolarHBondContact O-N 2.72Å; V65-A76 HydrophobicContact CG1-CB 3.9Å; V65-A76 WeakPolarHBondContact O-CB 3.5Å; V65-P79 HydrophobicContact CG1-CB 3.89Å; V65-P79 HydrophobicContact CG1-CG 4.43Å; V65-F124 HydrophobicContact CB-CZ 4.5Å; V65-F124 HydrophobicContact CG1-CE1 4.43Å; V65-F124 HydrophobicContact CG2-CB 4.28Å; V65-F124 HydrophobicContact CG2-CD1 3.99Å; V65-F124 HydrophobicContact CG2-CD2 3.61Å; V65-F124 HydrophobicContact CG2-CE1 4.15Å; V65-F124 HydrophobicContact CG2-CE2 3.78Å; V65-F124 HydrophobicContact CG2-CG 3.7Å; V65-F124 HydrophobicContact CG2-CZ 4.04Å; V65-V127 HydrophobicContact CG1-CB 4.28Å; V65-V127 HydrophobicContact CG1-CG1 4.09Å; V65-V127 HydrophobicContact CG1-CG2 4.35Å; V65-A131 HydrophobicContact CG2-CB 3.59Å
66W87Confident83.4Confident130 Ų13063.5 Ų63.549%0.49233%0.331SS..Hα-helixtrans-64.5-40.9176.5178.478.1000112.4S62 F63 G71 L80S62-W66 WeakPolarHBondContact O-CB 3.18Å; S62-W66 PolarHBondContact O-N 3.19Å; F63-W66 HydrophobicContact CD2-CE3 4.42Å; F63-W66 HydrophobicContact CE2-CE3 4.41Å; F63-W66 HydrophobicContact CE2-CZ3 4.4Å; F63-W66 PolarHBondContact O-N 3.08Å; W66-G71 PolarHBondContact O-N 3.35Å; W66-L80 HydrophobicContact CB-CD1 4.41Å
67R87.3Confident83.1Confident139 Ų13963.8 Ų63.853%0.52533%0.327SS..Hα-helixtrans-67.9-43.9179-171.6-16969.5179.1-0.2112.5F63 L64F63-R67 WeakPolarHBondContact O-CB 3.49Å; F63-R67 PolarHBondContact O-N 2.9Å; L64-R67 PolarHBondContact O-N 3.15Å
68D85.7Confident83Confident76 Ų7668.5 Ų68.541%0.40635%0.35SS..Hα-helixtrans-92.3-18.8-171.8-66.39.6000112.9L64 D70 N128L64-D68 WeakPolarHBondContact O-CB 3.23Å; L64-D68 PolarHBondContact O-N 2.83Å; D68-D70 VanDerWaalsContact C-N 3.35Å; D68-D70 PolarHBondContact O-N 3.18Å; D68-N128 HydrophobicContact CB-CB 4.49Å; D68-N128 PolarHBondContact OD2-ND2 2.87Å
69G78.1Confident83Confident4 Ų468.7 Ų68.74%0.04135%0.351CS..THydrogen-bonded Turntrans-9426.6-179.400000115.4V65 G71 G74 A75 A76V65-G69 WeakPolarHBondContact O-CA 3.09Å; V65-G69 PolarHBondContact O-N 2.72Å; G69-G71 VanDerWaalsContact C-N 3.28Å; G69-G71 PolarHBondContact O-N 3.42Å; G69-G74 CarbonylContact O-C 3.43Å; G69-G74 WeakPolarHBondContact O-CA 3.35Å; G69-A75 PolarHBondContact O-N 3.29Å; G69-A76 PolarHBondContact O-N 3.47Å
70D77.7Confident82.9Confident140 Ų14069 Ų6975%0.74935%0.345SS*.THydrogen-bonded Turntrans55.638.6178.4-154.426.9000113.6D68 G74D68-D70 VanDerWaalsContact C-N 3.35Å; D68-D70 PolarHBondContact O-N 3.18Å; D70-G74 PolarHBondContact O-N 2.96Å
71G71Confident82.8Confident17 Ų1767.7 Ų67.718%0.17535%0.345CS..G310 helixtrans65.1-162.1-179.500000114.4W66 G69 Q73 G74W66-G71 PolarHBondContact O-N 3.35Å; G69-G71 VanDerWaalsContact C-N 3.28Å; G69-G71 PolarHBondContact O-N 3.42Å; G71-Q73 PolarHBondContact O-N 2.86Å; G71-Q73 VanDerWaalsContact O-N 3.1Å; G71-G74 PolarHBondContact O-N 2.96Å
72C66.5Low82.9Confident81 Ų8168.5 Ų68.555%0.54735%0.352SS..G310 helixtrans-70-5.8-174.9-62.90000114.6
73Q66.4Low82.9Confident194 Ų19469 Ų6991%0.90735%0.35SS*.G310 helixtrans-98.4-20-179.8-60.7-172.634.100112.5G71G71-Q73 PolarHBondContact O-N 2.86Å; G71-Q73 VanDerWaalsContact O-N 3.1Å
74G78.3Confident83Confident26 Ų2665.4 Ų65.427%0.26834%0.343SS..THydrogen-bonded Turntrans-94.4-154.2179.600000114.4G69 D70 G71 A76 R77G69-G74 CarbonylContact O-C 3.43Å; G69-G74 WeakPolarHBondContact O-CA 3.35Å; D70-G74 PolarHBondContact O-N 2.96Å; G71-G74 PolarHBondContact O-N 2.96Å; G74-A76 PolarHBondContact O-N 3.37Å; G74-A76 VanDerWaalsContact O-N 3.08Å; G74-R77 PolarHBondContact O-N 3.17Å
75A79.8Confident83.1Confident71 Ų7169.5 Ų69.559%0.58736%0.363SS*.THydrogen-bonded Turntrans-60.9-17.7-178.200000113.6G69 R77 P79 V127G69-A75 PolarHBondContact O-N 3.29Å; A75-R77 VanDerWaalsContact C-N 3.31Å; A75-R77 PolarHBondContact O-N 3.36Å; A75-P79 WeakPolarHBondContact O-CD 3.14Å; A75-P79 WeakPolarHBondContact O-CG 3.3Å; A75-V127 HydrophobicContact CB-CG2 4.19Å
76A82.6Confident83.2Confident0 Ų069.5 Ų69.50%036%0.363CS..THydrogen-bonded Turntrans-72.6-16.3178.200000114.6V65 G69 G74 I78 P79 L80V65-A76 HydrophobicContact CG1-CB 3.9Å; V65-A76 WeakPolarHBondContact O-CB 3.5Å; G69-A76 PolarHBondContact O-N 3.47Å; G74-A76 PolarHBondContact O-N 3.37Å; G74-A76 VanDerWaalsContact O-N 3.08Å; A76-I78 PolarHBondContact O-N 3.16Å; A76-P79 WeakPolarHBondContact O-CD 3.23Å; A76-L80 HydrophobicContact CB-CD1 3.95Å; A76-L80 HydrophobicContact CB-CG 4.39Å; A76-L80 VanDerWaalsContact O-CB 3.28Å; A76-L80 WeakPolarHBondContact O-CB 3.35Å; A76-L80 WeakPolarHBondContact O-CG 3.46Å; A76-L80 PolarHBondContact O-N 3.3Å
77R84.6Confident83.3Confident161 Ų16165.4 Ų65.461%0.60835%0.351SS*.Hα-helixtrans-59.2-50.8-174.2-172.7177.9178-172.70.8113G74 A75 L80 I81G74-R77 PolarHBondContact O-N 3.17Å; A75-R77 VanDerWaalsContact C-N 3.31Å; A75-R77 PolarHBondContact O-N 3.36Å; R77-L80 PolarHBondContact O-N 3.34Å; R77-I81 HydrophobicContact CG-CD1 3.96Å; R77-I81 WeakPolarHBondContact O-CD1 3.39Å; R77-I81 VanDerWaalsContact O-CG1 3.24Å; R77-I81 WeakPolarHBondContact O-CG1 3.11Å; R77-I81 PolarHBondContact O-N 3.01Å
78I87.4Confident83.4Confident117 Ų11764.2 Ų64.260%0.635%0.354SS*.Hα-helixtrans-66-49.6-179-59.5171000111A76 L80 I81 A82 L123A76-I78 PolarHBondContact O-N 3.16Å; I78-L80 VanDerWaalsContact C-N 3.34Å; I78-L80 PolarHBondContact O-N 2.87Å; I78-I81 PolarHBondContact O-N 3.17Å; I78-A82 PolarHBondContact O-N 2.87Å; I78-L123 HydrophobicContact CG2-CD1 4.1Å; I78-L123 HydrophobicContact CG2-CD2 4.02Å
79P86.9Confident83.4Confident4 Ų462.7 Ų62.73%0.02635%0.346CS..Hα-helixtrans-52.6-45172.4-27.131.2000114.2V65 A75 A76 A82 Y83 L123 F124 V127V65-P79 HydrophobicContact CG1-CB 3.89Å; V65-P79 HydrophobicContact CG1-CG 4.43Å; A75-P79 WeakPolarHBondContact O-CD 3.14Å; A75-P79 WeakPolarHBondContact O-CG 3.3Å; A76-P79 WeakPolarHBondContact O-CD 3.23Å; P79-A82 PolarHBondContact O-N 3.31Å; P79-Y83 WeakPolarHBondContact O-CB 3.41Å; P79-Y83 PolarHBondContact O-N 3.44Å; P79-L123 HydrophobicContact CB-CB 4.23Å; P79-L123 HydrophobicContact CG-CB 4.12Å; P79-F124 HydrophobicContact CB-CD1 3.74Å; P79-F124 HydrophobicContact CB-CE1 3.69Å; P79-V127 HydrophobicContact CG-CG2 3.82Å
80L87.7Confident83.8Confident40 Ų4063 Ų6321%0.20935%0.347CS..Hα-helixtrans-70.2-35.2-178.6-71.8171.3000112.3W66 A76 R77 I78 Y83 G84W66-L80 HydrophobicContact CB-CD1 4.41Å; A76-L80 HydrophobicContact CB-CD1 3.95Å; A76-L80 HydrophobicContact CB-CG 4.39Å; A76-L80 VanDerWaalsContact O-CB 3.28Å; A76-L80 WeakPolarHBondContact O-CB 3.35Å; A76-L80 WeakPolarHBondContact O-CG 3.46Å; A76-L80 PolarHBondContact O-N 3.3Å; R77-L80 PolarHBondContact O-N 3.34Å; I78-L80 VanDerWaalsContact C-N 3.34Å; I78-L80 PolarHBondContact O-N 2.87Å; L80-Y83 PolarHBondContact O-N 3.22Å; L80-G84 PolarHBondContact O-N 3.16Å
81I89.6Confident84.1Confident91 Ų9164 Ų6447%0.46734%0.34SS..Hα-helixtrans-65.1-46.1172.2-69166.3000110.2R77 I78 Y83 G84 I85R77-I81 HydrophobicContact CG-CD1 3.96Å; R77-I81 WeakPolarHBondContact O-CD1 3.39Å; R77-I81 VanDerWaalsContact O-CG1 3.24Å; R77-I81 WeakPolarHBondContact O-CG1 3.11Å; R77-I81 PolarHBondContact O-N 3.01Å; I78-I81 PolarHBondContact O-N 3.17Å; I81-Y83 VanDerWaalsContact C-N 3.3Å; I81-Y83 PolarHBondContact O-N 2.98Å; I81-G84 PolarHBondContact O-N 3.06Å; I81-G84 VanDerWaalsContact O-N 3.14Å; I81-I85 HydrophobicContact CG2-CD1 3.89Å; I81-I85 HydrophobicContact CG2-CG1 4.46Å; I81-I85 WeakPolarHBondContact O-CG1 3.15Å; I81-I85 PolarHBondContact O-N 3.06Å
82A90.2Very high84.6Confident17 Ų1764.7 Ų64.714%0.1434%0.344CS..Hα-helixtrans-59.8-41.7175.600000111.6I78 P79 G84 I85 Q86 L123I78-A82 PolarHBondContact O-N 2.87Å; P79-A82 PolarHBondContact O-N 3.31Å; A82-G84 PolarHBondContact O-N 3.29Å; A82-I85 PolarHBondContact O-N 3.46Å; A82-Q86 WeakPolarHBondContact O-CG 3.47Å; A82-Q86 PolarHBondContact O-N 3.06Å; A82-L123 HydrophobicContact CB-CD1 3.57Å
83Y89.4Confident85Confident35 Ų3564.3 Ų64.314%0.13733%0.331CS..Hα-helixtrans-60.6-40.4173.3177.9-105.6000112.9M58 P79 L80 I81 Q86 L87 F124 F135M58-Y83 HydrophobicContact CB-CE2 3.95Å; M58-Y83 HydrophobicContact CG-CE2 4.22Å; M58-Y83 HydrophobicContact SD-CE2 4.18Å; P79-Y83 WeakPolarHBondContact O-CB 3.41Å; P79-Y83 PolarHBondContact O-N 3.44Å; L80-Y83 PolarHBondContact O-N 3.22Å; I81-Y83 VanDerWaalsContact C-N 3.3Å; I81-Y83 PolarHBondContact O-N 2.98Å; Y83-Q86 HydrophobicContact CD2-CG 4.49Å; Y83-Q86 VanDerWaalsContact CD2-NE2 3.28Å; Y83-Q86 VanDerWaalsContact CE2-NE2 3.32Å; Y83-Q86 VanDerWaalsContact O-CG 3.29Å; Y83-Q86 WeakPolarHBondContact O-CG 3.33Å; Y83-Q86 PolarHBondContact O-NE2 3.38Å; Y83-L87 WeakPolarHBondContact O-CB 3.46Å; Y83-L87 PolarHBondContact O-N 2.95Å; Y83-L87 VanDerWaalsContact O-N 3.08Å; Y83-F124 HydrophobicContact CD2-CZ 4.35Å; Y83-F124 HydrophobicContact CG-CZ 4.41Å; Y83-F135 AromaticContact CD2-CZ 3.8Å; Y83-F135 HydrophobicContact CD2-CZ 3.8Å; Y83-F135 AromaticContact CE2-CZ 3.93Å; Y83-F135 HydrophobicContact CE2-CZ 3.93Å
84G90.5Very high85.3Confident29 Ų2960 Ų6030%0.29931%0.313SS..Hα-helixtrans-65.1-43.8173.700000112.4L80 I81 A82 L87 L88L80-G84 PolarHBondContact O-N 3.16Å; I81-G84 PolarHBondContact O-N 3.06Å; I81-G84 VanDerWaalsContact O-N 3.14Å; A82-G84 PolarHBondContact O-N 3.29Å; G84-L87 PolarHBondContact O-N 2.9Å; G84-L88 WeakPolarHBondContact O-CG 3.27Å; G84-L88 PolarHBondContact O-N 3.19Å
85I90.9Very high85.2Confident87 Ų8762.6 Ų62.645%0.44632%0.324SS..Hα-helixtrans-61.5-50177.4-68166000110.4I81 A82 L87 L88 L89I81-I85 HydrophobicContact CG2-CD1 3.89Å; I81-I85 HydrophobicContact CG2-CG1 4.46Å; I81-I85 WeakPolarHBondContact O-CG1 3.15Å; I81-I85 PolarHBondContact O-N 3.06Å; A82-I85 PolarHBondContact O-N 3.46Å; I85-L87 VanDerWaalsContact C-N 3.26Å; I85-L87 PolarHBondContact O-N 3.25Å; I85-L88 PolarHBondContact O-N 2.95Å; I85-L89 HydrophobicContact CG2-CD1 3.85Å; I85-L89 WeakPolarHBondContact O-CD1 3.13Å; I85-L89 PolarHBondContact O-N 3.33Å
86Q89.6Confident84.9Confident0 Ų060.9 Ų60.90%031%0.305CS..Hα-helixtrans-64.3-31.9-179.968.884.349.600112.3A82 Y83 L89 N90 L113 A116 V117 Y138A82-Q86 WeakPolarHBondContact O-CG 3.47Å; A82-Q86 PolarHBondContact O-N 3.06Å; Y83-Q86 HydrophobicContact CD2-CG 4.49Å; Y83-Q86 VanDerWaalsContact CD2-NE2 3.28Å; Y83-Q86 VanDerWaalsContact CE2-NE2 3.32Å; Y83-Q86 VanDerWaalsContact O-CG 3.29Å; Y83-Q86 WeakPolarHBondContact O-CG 3.33Å; Y83-Q86 PolarHBondContact O-NE2 3.38Å; Q86-L89 PolarHBondContact O-N 3.31Å; Q86-N90 WeakPolarHBondContact O-CB 3.36Å; Q86-N90 PolarHBondContact O-N 2.89Å; Q86-L113 HydrophobicContact CB-CD1 4.49Å; Q86-L113 WeakPolarHBondContact O-CD1 3.39Å; Q86-A116 HydrophobicContact CB-CB 3.8Å; Q86-V117 HydrophobicContact CB-CG2 4.32Å; Q86-Y138 VanDerWaalsContact OE1-CE1 3.23Å; Q86-Y138 PolarHBondContact OE1-OH 3.06Å
87L89Confident84.1Confident44 Ų4464 Ų6423%0.2332%0.319CS..Hα-helixtrans-68.4-41.1174.5-168.669.5000111.7Y55 Y83 G84 I85 N90 W91Y55-L87 HydrophobicContact CE1-CD1 4.26Å; Y83-L87 WeakPolarHBondContact O-CB 3.46Å; Y83-L87 PolarHBondContact O-N 2.95Å; Y83-L87 VanDerWaalsContact O-N 3.08Å; G84-L87 PolarHBondContact O-N 2.9Å; I85-L87 VanDerWaalsContact C-N 3.26Å; I85-L87 PolarHBondContact O-N 3.25Å; L87-N90 WeakPolarHBondContact O-CB 3.39Å; L87-N90 PolarHBondContact O-N 3.44Å; L87-W91 PolarHBondContact O-N 2.9Å
88L89.5Confident83.2Confident114 Ų11463.1 Ų63.160%0.59732%0.319SS*.Hα-helixtrans-63.2-41173.7-71.4174.2000111.9G84 I85 W91 A92G84-L88 WeakPolarHBondContact O-CG 3.27Å; G84-L88 PolarHBondContact O-N 3.19Å; I85-L88 PolarHBondContact O-N 2.95Å; L88-W91 PolarHBondContact O-N 3.49Å; L88-A92 VanDerWaalsContact O-CB 3.31Å; L88-A92 WeakPolarHBondContact O-CB 3.37Å; L88-A92 PolarHBondContact O-N 3.12Å
89L86Confident82.1Confident44 Ų4460.3 Ų60.323%0.2332%0.32CS..Hα-helixtrans-61.3-46.8173.2-91.667.5000110.4I85 Q86 W91 A92 W93 L112 L113 A116I85-L89 HydrophobicContact CG2-CD1 3.85Å; I85-L89 WeakPolarHBondContact O-CD1 3.13Å; I85-L89 PolarHBondContact O-N 3.33Å; Q86-L89 PolarHBondContact O-N 3.31Å; L89-W91 VanDerWaalsContact C-N 3.28Å; L89-W91 PolarHBondContact O-N 3.45Å; L89-A92 WeakPolarHBondContact O-CA 3.33Å; L89-A92 WeakPolarHBondContact O-CB 3.41Å; L89-A92 PolarHBondContact O-N 2.88Å; L89-W93 PolarHBondContact O-N 2.94Å; L89-W93 VanDerWaalsContact O-N 3.08Å; L89-L112 HydrophobicContact CD2-CB 3.89Å; L89-L113 HydrophobicContact CB-CD1 3.96Å; L89-A116 HydrophobicContact CD2-CB 4.22Å
90N86.2Confident80.9Confident11 Ų1165.4 Ų65.46%0.05935%0.346CS..Hα-helixtrans-56.5-42.9177.6-165.6-74.8000112.2W51 Y55 Q86 L87 W93 L113W51-N90 VanDerWaalsContact CH2-ND2 3.28Å; W51-N90 WeakPolarHBondContact CH2-ND2 3.26Å; W51-N90 VanDerWaalsContact CZ3-ND2 3.3Å; W51-N90 WeakPolarHBondContact CZ3-ND2 3.31Å; Y55-N90 PolarHBondContact OH-OD1 3.1Å; Q86-N90 WeakPolarHBondContact O-CB 3.36Å; Q86-N90 PolarHBondContact O-N 2.89Å; L87-N90 WeakPolarHBondContact O-CB 3.39Å; L87-N90 PolarHBondContact O-N 3.44Å; N90-W93 WeakPolarHBondContact O-CB 3.2Å; N90-W93 PolarHBondContact O-N 3.04Å; N90-L113 HydrophobicContact CB-CD1 4.1Å
91W83.4Confident79.7Confident160 Ų16073.4 Ų73.461%0.60637%0.374SS*.Hα-helixtrans-70.5-33.2174.7-79.67.1000113.4L87 L88 L89 W93 M94 P95L87-W91 PolarHBondContact O-N 2.9Å; L88-W91 PolarHBondContact O-N 3.49Å; L89-W91 VanDerWaalsContact C-N 3.28Å; L89-W91 PolarHBondContact O-N 3.45Å; W91-W93 PolarHBondContact O-N 2.81Å; W91-M94 PolarHBondContact O-N 3.49Å; W91-P95 WeakPolarHBondContact O-CD 3.43Å
92A83Confident78.7Confident32 Ų3272.2 Ų72.226%0.26437%0.368SS..Hα-helixtrans-67.2-22.6176.500000113L88 L89 M94 P95 I96L88-A92 VanDerWaalsContact O-CB 3.31Å; L88-A92 WeakPolarHBondContact O-CB 3.37Å; L88-A92 PolarHBondContact O-N 3.12Å; L89-A92 WeakPolarHBondContact O-CA 3.33Å; L89-A92 WeakPolarHBondContact O-CB 3.41Å; L89-A92 PolarHBondContact O-N 2.88Å; A92-M94 VanDerWaalsContact C-N 3.29Å; A92-M94 PolarHBondContact O-N 3.31Å; A92-P95 WeakPolarHBondContact O-CD 3.38Å; A92-P95 VanDerWaalsContact O-CG 3.26Å; A92-P95 WeakPolarHBondContact O-CG 3.39Å; A92-I96 HydrophobicContact CB-CD1 4.03Å; A92-I96 WeakPolarHBondContact O-CB 3.46Å; A92-I96 WeakPolarHBondContact O-CD1 3.5Å; A92-I96 WeakPolarHBondContact O-CG1 3.3Å; A92-I96 PolarHBondContact O-N 3.2Å
93W74.1Confident77.7Confident74 Ų7474.1 Ų74.128%0.2837%0.372SS..Hα-helixtrans-55.6-41.4175.2-179.274.3000112.8L89 N90 W91 I96 F97L89-W93 PolarHBondContact O-N 2.94Å; L89-W93 VanDerWaalsContact O-N 3.08Å; N90-W93 WeakPolarHBondContact O-CB 3.2Å; N90-W93 PolarHBondContact O-N 3.04Å; W91-W93 PolarHBondContact O-N 2.81Å; W93-I96 PolarHBondContact O-N 2.88Å; W93-F97 HydrophobicContact CZ2-CD2 4.49Å; W93-F97 VanDerWaalsContact O-CB 3.26Å; W93-F97 WeakPolarHBondContact O-CB 3.3Å; W93-F97 PolarHBondContact O-N 3.2Å
94M73.5Confident77Confident104 Ų10473.8 Ų73.851%0.51238%0.376SS..Hα-helixtrans-61.9-54.9-179.7-64.2-176.7-172.200113.3W91 A92 I96 F98W91-M94 PolarHBondContact O-N 3.49Å; A92-M94 VanDerWaalsContact C-N 3.29Å; A92-M94 PolarHBondContact O-N 3.31Å; M94-I96 VanDerWaalsContact C-N 3.33Å; M94-I96 PolarHBondContact O-N 3.34Å; M94-F98 WeakPolarHBondContact O-CB 3.34Å; M94-F98 WeakPolarHBondContact O-CD2 3.48Å; M94-F98 PolarHBondContact O-N 3.37Å
95P75.9Confident76.3Confident79 Ų7975.3 Ų75.351%0.51338%0.377SS..Hα-helixtrans-66.8-31.1176.825.3-33.3000112.7W91 A92 G99W91-P95 WeakPolarHBondContact O-CD 3.43Å; A92-P95 WeakPolarHBondContact O-CD 3.38Å; A92-P95 VanDerWaalsContact O-CG 3.26Å; A92-P95 WeakPolarHBondContact O-CG 3.39Å; P95-G99 WeakPolarHBondContact O-CA 3.34Å; P95-G99 PolarHBondContact O-N 2.83Å
96I73.2Confident75.6Confident35 Ų3571.2 Ų71.218%0.17936%0.356CS..Hα-helixtrans-69.2-45.3178-70.7166.8000110.8A92 W93 M94 L100 L105 E109A92-I96 HydrophobicContact CB-CD1 4.03Å; A92-I96 WeakPolarHBondContact O-CB 3.46Å; A92-I96 WeakPolarHBondContact O-CD1 3.5Å; A92-I96 WeakPolarHBondContact O-CG1 3.3Å; A92-I96 PolarHBondContact O-N 3.2Å; W93-I96 PolarHBondContact O-N 2.88Å; M94-I96 VanDerWaalsContact C-N 3.33Å; M94-I96 PolarHBondContact O-N 3.34Å; I96-L100 PolarHBondContact O-N 3.4Å; I96-L105 HydrophobicContact CG2-CB 4.38Å; I96-L105 HydrophobicContact CG2-CD2 3.97Å; I96-L105 HydrophobicContact CG2-CG 3.97Å; I96-E109 HydrophobicContact CD1-CB 4.28Å; I96-E109 HydrophobicContact CD1-CG 3.7Å
97F66Low75.1Confident67 Ų6771.6 Ų71.629%0.29436%0.36SS..Hα-helixtrans-69.7-45.6-178.6-167-92.7000112.3F32 W93 A106F32-F97 HydrophobicContact CZ-CE1 4.29Å; W93-F97 HydrophobicContact CZ2-CD2 4.49Å; W93-F97 VanDerWaalsContact O-CB 3.26Å; W93-F97 WeakPolarHBondContact O-CB 3.3Å; W93-F97 PolarHBondContact O-N 3.2Å; F97-A106 HydrophobicContact CD2-CB 3.79Å; F97-A106 HydrophobicContact CE2-CB 4.43Å
98F64.4Low75Confident141 Ų14174.3 Ų74.362%0.61837%0.373SS*.Hα-helixtrans-86.5-32.8-177.2-72.2-72.4000114M94M94-F98 WeakPolarHBondContact O-CB 3.34Å; M94-F98 WeakPolarHBondContact O-CD2 3.48Å; M94-F98 PolarHBondContact O-N 3.37Å
99G64.9Low74.8Confident59 Ų5969.4 Ų69.461%0.60835%0.347SS*.Hα-helixtrans-77.7-52.7-177.400000112.7P95P95-G99 WeakPolarHBondContact O-CA 3.34Å; P95-G99 PolarHBondContact O-N 2.83Å
100L61.9Low74.8Confident111 Ų11167.8 Ų67.858%0.58134%0.339SS*.SBendtrans-88.5-10-170.3-73.8157.3000114I96 N102 L105I96-L100 PolarHBondContact O-N 3.4Å; L100-N102 HydrophobicContact CB-CB 4.45Å; L100-N102 PolarHBondContact O-N 3.02Å; L100-L105 HydrophobicContact CB-CD2 4.45Å; L100-L105 HydrophobicContact CD1-CD2 3.39Å; L100-L105 HydrophobicContact CG-CD2 4.45Å
101R63.3Low74.8Confident207 Ų20769.4 Ų69.478%0.78135%0.351SS*.  trans46.620.4-175.9-63.5-179.968.6-176.31.1113.8
102N67.7Low75.1Confident66 Ų6666.6 Ų66.635%0.35335%0.347SS..  trans-105.7100.2-173.3-171.7-7000109.6L100 A104 L105 A106L100-N102 HydrophobicContact CB-CB 4.45Å; L100-N102 PolarHBondContact O-N 3.02Å; N102-A104 PolarHBondContact O-N 3.24Å; N102-A104 WeakPolarHBondContact OD1-CB 3.21Å; N102-A104 PolarHBondContact OD1-N 3.32Å; N102-A104 VanDerWaalsContact OD1-N 3.1Å; N102-L105 HydrophobicContact CB-CB 4.17Å; N102-L105 PolarHBondContact O-N 2.95Å; N102-L105 VanDerWaalsContact O-N 3.08Å; N102-A106 PolarHBondContact O-N 3.34Å
103R69.9Low75.4Confident58 Ų5865.5 Ų65.522%0.21934%0.337CS..Hα-helixtrans-58.3-28179.5-64.3-177.1-85.5-161.9-8.4113.1A107 N156 D160R103-A107 PolarHBondContact O-N 2.96Å; R103-N156 PolarHBondContact NH1-OD1 3.3Å; R103-N156 VanDerWaalsContact NH1-OD1 3.15Å; R103-D160 IonicContact CZ-OD1 3.65Å; R103-D160 IonicContact CZ-OD2 3.31Å; R103-D160 VanDerWaalsContact CZ-OD2 3.31Å; R103-D160 IonicContact NE-OD1 3.92Å; R103-D160 IonicContact NE-OD2 3.06Å; R103-D160 PolarHBondContact NE-OD2 3.28Å; R103-D160 IonicContact NH2-OD1 2.64Å; R103-D160 PolarHBondContact NH2-OD1 2.96Å; R103-D160 IonicContact NH2-OD2 3.01Å; R103-D160 PolarHBondContact NH2-OD2 3.04Å
104A73Confident76.2Confident28 Ų2862.5 Ų62.523%0.23133%0.328CS..Hα-helixtrans-71.1-40.1177.400000111.6N102 A107 I108N102-A104 PolarHBondContact O-N 3.24Å; N102-A104 WeakPolarHBondContact OD1-CB 3.21Å; N102-A104 PolarHBondContact OD1-N 3.32Å; N102-A104 VanDerWaalsContact OD1-N 3.1Å; A104-A107 PolarHBondContact O-N 3.1Å; A104-I108 WeakPolarHBondContact O-CG1 3.48Å; A104-I108 PolarHBondContact O-N 3.4Å; A104-I108 VanDerWaalsContact O-N 3.07Å
105L76Confident77Confident61 Ų6162.4 Ų62.432%0.31933%0.333SS..Hα-helixtrans-69.6-38.4179.4-167.567000111.2I96 L100 N102 A107 I108 E109I96-L105 HydrophobicContact CG2-CB 4.38Å; I96-L105 HydrophobicContact CG2-CD2 3.97Å; I96-L105 HydrophobicContact CG2-CG 3.97Å; L100-L105 HydrophobicContact CB-CD2 4.45Å; L100-L105 HydrophobicContact CD1-CD2 3.39Å; L100-L105 HydrophobicContact CG-CD2 4.45Å; N102-L105 HydrophobicContact CB-CB 4.17Å; N102-L105 PolarHBondContact O-N 2.95Å; N102-L105 VanDerWaalsContact O-N 3.08Å; L105-A107 VanDerWaalsContact C-N 3.28Å; L105-A107 PolarHBondContact O-N 3.02Å; L105-I108 PolarHBondContact O-N 2.87Å; L105-E109 WeakPolarHBondContact O-CB 3.48Å; L105-E109 PolarHBondContact O-N 3.25Å
106A77.1Confident77.8Confident1 Ų159.5 Ų59.51%0.00832%0.315CS..Hα-helixtrans-61.4-35.3171.900000112.7F97 N102 V110F97-A106 HydrophobicContact CD2-CB 3.79Å; F97-A106 HydrophobicContact CE2-CB 4.43Å; N102-A106 PolarHBondContact O-N 3.34Å; A106-V110 WeakPolarHBondContact O-CG1 3.5Å; A106-V110 PolarHBondContact O-N 3.22Å
107A80Confident78.6Confident8 Ų857.8 Ų57.87%0.06631%0.307CS..Hα-helixtrans-69.7-35.6175.200000112.5R103 A104 L105 V110 C111 T149 W153R103-A107 PolarHBondContact O-N 2.96Å; A104-A107 PolarHBondContact O-N 3.1Å; L105-A107 VanDerWaalsContact C-N 3.28Å; L105-A107 PolarHBondContact O-N 3.02Å; A107-V110 WeakPolarHBondContact O-CG1 3.28Å; A107-C111 PolarHBondContact O-N 3.2Å; A107-C111 PolarHBondContact O-SG 3.03Å; A107-T149 HydrophobicContact CB-CG2 4.17Å; A107-W153 HydrophobicContact CB-CB 4.35Å; A107-W153 HydrophobicContact CB-CG 4.43Å
108I85Confident79.8Confident101 Ų10157.4 Ų57.452%0.51831%0.31SS..Hα-helixtrans-70.3-45.1175.3-66.3166.6000110.3A104 L105 V110 C111 L112A104-I108 WeakPolarHBondContact O-CG1 3.48Å; A104-I108 PolarHBondContact O-N 3.4Å; A104-I108 VanDerWaalsContact O-N 3.07Å; L105-I108 PolarHBondContact O-N 2.87Å; I108-V110 PolarHBondContact O-N 3.46Å; I108-C111 WeakPolarHBondContact O-CB 3.29Å; I108-C111 PolarHBondContact O-N 3.31Å; I108-L112 HydrophobicContact CG2-CD1 4.15Å; I108-L112 HydrophobicContact CG2-CG 4.5Å; I108-L112 WeakPolarHBondContact O-CG 3.26Å; I108-L112 PolarHBondContact O-N 3.35Å
109E86.7Confident81.1Confident10 Ų1052.9 Ų52.95%0.04730%0.298CS..Hα-helixtrans-60.6-46.2179.5-175.5-73.5149.600111.3I96 L105 C111 L112 L113I96-E109 HydrophobicContact CD1-CB 4.28Å; I96-E109 HydrophobicContact CD1-CG 3.7Å; L105-E109 WeakPolarHBondContact O-CB 3.48Å; L105-E109 PolarHBondContact O-N 3.25Å; E109-C111 VanDerWaalsContact C-N 3.26Å; E109-C111 PolarHBondContact O-N 3.42Å; E109-L112 CarbonylContact O-C 3.57Å; E109-L112 WeakPolarHBondContact O-CA 3.39Å; E109-L112 WeakPolarHBondContact O-CB 3.19Å; E109-L112 PolarHBondContact O-N 3.38Å; E109-L113 PolarHBondContact O-N 3.34Å
110V85Confident82.3Confident10 Ų1050.1 Ų50.16%0.06127%0.269CS..Hα-helixtrans-66.5-31-179.976.70000112A106 A107 I108 L113 A114 T146 T149A106-V110 WeakPolarHBondContact O-CG1 3.5Å; A106-V110 PolarHBondContact O-N 3.22Å; A107-V110 WeakPolarHBondContact O-CG1 3.28Å; I108-V110 PolarHBondContact O-N 3.46Å; V110-L113 PolarHBondContact O-N 2.91Å; V110-A114 WeakPolarHBondContact O-CB 3.37Å; V110-A114 PolarHBondContact O-N 3.21Å; V110-T146 HydrophobicContact CG1-CG2 4.24Å; V110-T146 PolarHBondContact O-OG1 3.41Å; V110-T146 VanDerWaalsContact O-OG1 3.12Å; V110-T149 HydrophobicContact CG1-CG2 3.82Å
111C87.5Confident83.6Confident46 Ų4645.1 Ų45.131%0.31124%0.244SC..Hα-helixtrans-64.4-44.8170.4-72.20000111.4A107 I108 E109 L113 A114 V115 T146A107-C111 PolarHBondContact O-N 3.2Å; A107-C111 PolarHBondContact O-SG 3.03Å; I108-C111 WeakPolarHBondContact O-CB 3.29Å; I108-C111 PolarHBondContact O-N 3.31Å; E109-C111 VanDerWaalsContact C-N 3.26Å; E109-C111 PolarHBondContact O-N 3.42Å; C111-L113 VanDerWaalsContact C-N 3.31Å; C111-L113 PolarHBondContact O-N 3.49Å; C111-A114 PolarHBondContact O-N 3.1Å; C111-V115 WeakPolarHBondContact O-CG2 3.29Å; C111-V115 PolarHBondContact O-N 2.95Å; C111-T146 VanDerWaalsContact SG-CG2 3.57Å
112L89.7Confident84.9Confident101 Ų10139 Ų3953%0.52923%0.229SC..Hα-helixtrans-62-41.6176.1-70.3170.8000111.1L89 I108 E109 V115 A116L89-L112 HydrophobicContact CD2-CB 3.89Å; I108-L112 HydrophobicContact CG2-CD1 4.15Å; I108-L112 HydrophobicContact CG2-CG 4.5Å; I108-L112 WeakPolarHBondContact O-CG 3.26Å; I108-L112 PolarHBondContact O-N 3.35Å; E109-L112 CarbonylContact O-C 3.57Å; E109-L112 WeakPolarHBondContact O-CA 3.39Å; E109-L112 WeakPolarHBondContact O-CB 3.19Å; E109-L112 PolarHBondContact O-N 3.38Å; L112-V115 PolarHBondContact O-N 3.37Å; L112-A116 WeakPolarHBondContact O-CB 3.44Å; L112-A116 PolarHBondContact O-N 3.26Å
113L89.1Confident85.9Confident9 Ų938.2 Ų38.25%0.04723%0.225CC..Hα-helixtrans-60.7-49.7174.4179.363.5000110.7Q86 L89 N90 E109 V110 C111 V115 A116 V117Q86-L113 HydrophobicContact CB-CD1 4.49Å; Q86-L113 WeakPolarHBondContact O-CD1 3.39Å; L89-L113 HydrophobicContact CB-CD1 3.96Å; N90-L113 HydrophobicContact CB-CD1 4.1Å; E109-L113 PolarHBondContact O-N 3.34Å; V110-L113 PolarHBondContact O-N 2.91Å; C111-L113 VanDerWaalsContact C-N 3.31Å; C111-L113 PolarHBondContact O-N 3.49Å; L113-V115 VanDerWaalsContact C-N 3.3Å; L113-V115 PolarHBondContact O-N 3.46Å; L113-A116 PolarHBondContact O-N 2.95Å; L113-A116 VanDerWaalsContact O-N 3.15Å; L113-V117 HydrophobicContact CD1-CG2 4.04Å; L113-V117 HydrophobicContact CG-CG2 4.3Å; L113-V117 WeakPolarHBondContact O-CB 3.4Å; L113-V117 WeakPolarHBondContact O-CG2 3.47Å; L113-V117 PolarHBondContact O-N 3.27Å
114A89.7Confident86.7Confident10 Ų1035.4 Ų35.48%0.08321%0.214CC..Hα-helixtrans-59.2-41.1178.500000112.3V110 C111 V117 V118 T146V110-A114 WeakPolarHBondContact O-CB 3.37Å; V110-A114 PolarHBondContact O-N 3.21Å; C111-A114 PolarHBondContact O-N 3.1Å; A114-V117 PolarHBondContact O-N 2.87Å; A114-V118 VanDerWaalsContact O-CG2 3.29Å; A114-V118 WeakPolarHBondContact O-CG2 3.43Å; A114-V118 PolarHBondContact O-N 3.49Å; A114-T146 WeakPolarHBondContact CB-OG1 3.42Å
115V91.9Very high87.5Confident102 Ų10237.1 Ų37.162%0.61822%0.219SC*.Hα-helixtrans-64.1-45.7174.7172.30000111.1C111 L112 L113 V117 V118 A119C111-V115 WeakPolarHBondContact O-CG2 3.29Å; C111-V115 PolarHBondContact O-N 2.95Å; L112-V115 PolarHBondContact O-N 3.37Å; L113-V115 VanDerWaalsContact C-N 3.3Å; L113-V115 PolarHBondContact O-N 3.46Å; V115-V117 VanDerWaalsContact C-N 3.29Å; V115-V117 PolarHBondContact O-N 3.48Å; V115-V118 PolarHBondContact O-N 3.02Å; V115-A119 VanDerWaalsContact O-CB 3.3Å; V115-A119 WeakPolarHBondContact O-CB 3.34Å; V115-A119 PolarHBondContact O-N 2.98Å
116A91Very high87.9Confident18 Ų1840.1 Ų40.115%0.14924%0.236CC..Hα-helixtrans-63-37.4178.700000112Q86 L89 L112 L113 T120Q86-A116 HydrophobicContact CB-CB 3.8Å; L89-A116 HydrophobicContact CD2-CB 4.22Å; L112-A116 WeakPolarHBondContact O-CB 3.44Å; L112-A116 PolarHBondContact O-N 3.26Å; L113-A116 PolarHBondContact O-N 2.95Å; L113-A116 VanDerWaalsContact O-N 3.15Å; A116-T120 WeakPolarHBondContact O-CB 3.46Å; A116-T120 PolarHBondContact O-N 2.99Å; A116-T120 PolarHBondContact O-OG1 3.45Å
117V90.8Very high88.2Confident0 Ų041.4 Ų41.40%024%0.244CC..Hα-helixtrans-67.5-49.1176.3170.30000110.9Q86 L113 A114 V115 A119 T120 T121 Y138 A139 T142Q86-V117 HydrophobicContact CB-CG2 4.32Å; L113-V117 HydrophobicContact CD1-CG2 4.04Å; L113-V117 HydrophobicContact CG-CG2 4.3Å; L113-V117 WeakPolarHBondContact O-CB 3.4Å; L113-V117 WeakPolarHBondContact O-CG2 3.47Å; L113-V117 PolarHBondContact O-N 3.27Å; A114-V117 PolarHBondContact O-N 2.87Å; V115-V117 VanDerWaalsContact C-N 3.29Å; V115-V117 PolarHBondContact O-N 3.48Å; V117-A119 VanDerWaalsContact C-N 3.31Å; V117-A119 PolarHBondContact O-N 3.06Å; V117-T120 PolarHBondContact O-N 3.47Å; V117-T121 PolarHBondContact O-N 3.42Å; V117-T121 PolarHBondContact O-OG1 3.08Å; V117-Y138 HydrophobicContact CB-CD1 4.42Å; V117-Y138 HydrophobicContact CB-CE1 3.98Å; V117-Y138 HydrophobicContact CG1-CD1 3.38Å; V117-Y138 HydrophobicContact CG1-CE1 3.42Å; V117-Y138 VanDerWaalsContact CG1-CE1 3.42Å; V117-Y138 HydrophobicContact CG1-CG 4.04Å; V117-Y138 HydrophobicContact CG2-CD1 4.19Å; V117-Y138 HydrophobicContact CG2-CE1 3.31Å; V117-Y138 VanDerWaalsContact CG2-CZ 3.49Å; V117-Y138 WeakPolarHBondContact CG2-OH 3.37Å; V117-A139 HydrophobicContact CG1-CB 4.3Å; V117-T142 HydrophobicContact CB-CG2 4.44Å; V117-T142 HydrophobicContact CG1-CG2 4.22Å; V117-T142 HydrophobicContact CG2-CG2 4.12Å
118V90.9Very high88.5Confident59 Ų5941.9 Ų41.936%0.35825%0.245SC..Hα-helixtrans-60.2-43176.2171.40000110.9A114 V115 T120 T121 V122 A139 I143A114-V118 VanDerWaalsContact O-CG2 3.29Å; A114-V118 WeakPolarHBondContact O-CG2 3.43Å; A114-V118 PolarHBondContact O-N 3.49Å; V115-V118 PolarHBondContact O-N 3.02Å; V118-T120 VanDerWaalsContact C-N 3.35Å; V118-T120 PolarHBondContact O-N 3.33Å; V118-T121 WeakPolarHBondContact O-CB 3.34Å; V118-T121 PolarHBondContact O-N 3.44Å; V118-V122 WeakPolarHBondContact O-CG2 3.38Å; V118-V122 PolarHBondContact O-N 3.48Å; V118-A139 HydrophobicContact CG2-CB 4.4Å; V118-I143 HydrophobicContact CG2-CD1 4.28Å
119A91.4Very high88.6Confident46 Ų4644.6 Ų44.638%0.3825%0.253SS..Hα-helixtrans-60.4-44175.600000111.7V115 V117 V122 L123V115-A119 VanDerWaalsContact O-CB 3.3Å; V115-A119 WeakPolarHBondContact O-CB 3.34Å; V115-A119 PolarHBondContact O-N 2.98Å; V117-A119 VanDerWaalsContact C-N 3.31Å; V117-A119 PolarHBondContact O-N 3.06Å; A119-V122 PolarHBondContact O-N 2.79Å; A119-L123 WeakPolarHBondContact O-CB 3.48Å; A119-L123 VanDerWaalsContact O-CG 3.27Å; A119-L123 WeakPolarHBondContact O-CG 3.47Å; A119-L123 PolarHBondContact O-N 3.04Å
120T89.7Confident88.7Confident0 Ų048.6 Ų48.60%027%0.273CS..Hα-helixtrans-63.4-42.6176.3-54.90000111.2A116 V117 V118 V122 L123 F124 F135A116-T120 WeakPolarHBondContact O-CB 3.46Å; A116-T120 PolarHBondContact O-N 2.99Å; A116-T120 PolarHBondContact O-OG1 3.45Å; V117-T120 PolarHBondContact O-N 3.47Å; V118-T120 VanDerWaalsContact C-N 3.35Å; V118-T120 PolarHBondContact O-N 3.33Å; T120-V122 PolarHBondContact O-N 2.86Å; T120-L123 PolarHBondContact O-N 2.93Å; T120-F124 HydrophobicContact CG2-CD1 3.81Å; T120-F124 HydrophobicContact CG2-CE1 3.47Å; T120-F124 VanDerWaalsContact CG2-CE1 3.47Å; T120-F124 HydrophobicContact CG2-CZ 3.94Å; T120-F124 WeakPolarHBondContact O-CB 3.35Å; T120-F124 WeakPolarHBondContact O-CD1 3.35Å; T120-F124 WeakPolarHBondContact O-CG 3.11Å; T120-F124 PolarHBondContact O-N 3.1Å; T120-F135 HydrophobicContact CG2-CE1 3.89Å; T120-F135 HydrophobicContact CG2-CZ 4.3Å
121T89.4Confident88.8Confident6 Ų648.1 Ų48.14%0.03727%0.27CS..Hα-helixtrans-58.5-47.1175.9-57.60000111.2V117 V118 F124 N125 F132 F135V117-T121 PolarHBondContact O-N 3.42Å; V117-T121 PolarHBondContact O-OG1 3.08Å; V118-T121 WeakPolarHBondContact O-CB 3.34Å; V118-T121 PolarHBondContact O-N 3.44Å; T121-F124 PolarHBondContact O-N 3.17Å; T121-N125 PolarHBondContact O-N 3.09Å; T121-F132 HydrophobicContact CG2-CD2 3.46Å; T121-F132 VanDerWaalsContact CG2-CD2 3.46Å; T121-F132 HydrophobicContact CG2-CE2 3.6Å; T121-F132 WeakPolarHBondContact O-CD2 3.47Å; T121-F135 HydrophobicContact CG2-CB 3.94Å
122V90.7Very high88.8Confident80 Ų8048.8 Ų48.849%0.48527%0.268SS..Hα-helixtrans-62.6-44.3177.1174.20000111.1V118 A119 T120 F124 N125V118-V122 WeakPolarHBondContact O-CG2 3.38Å; V118-V122 PolarHBondContact O-N 3.48Å; A119-V122 PolarHBondContact O-N 2.79Å; T120-V122 PolarHBondContact O-N 2.86Å; V122-F124 VanDerWaalsContact C-N 3.27Å; V122-F124 PolarHBondContact O-N 3.07Å; V122-N125 VanDerWaalsContact O-CB 3.27Å; V122-N125 WeakPolarHBondContact O-CB 3.31Å; V122-N125 PolarHBondContact O-N 3.19Å; V122-N125 VanDerWaalsContact O-N 3.11Å
123L88.7Confident88.9Confident48 Ų4850 Ų5025%0.25127%0.271SS..Hα-helixtrans-62.9-32.8176.6-71.9169.6000112.9I78 P79 A82 A119 T120 N125 D126I78-L123 HydrophobicContact CG2-CD1 4.1Å; I78-L123 HydrophobicContact CG2-CD2 4.02Å; P79-L123 HydrophobicContact CB-CB 4.23Å; P79-L123 HydrophobicContact CG-CB 4.12Å; A82-L123 HydrophobicContact CB-CD1 3.57Å; A119-L123 WeakPolarHBondContact O-CB 3.48Å; A119-L123 VanDerWaalsContact O-CG 3.27Å; A119-L123 WeakPolarHBondContact O-CG 3.47Å; A119-L123 PolarHBondContact O-N 3.04Å; T120-L123 PolarHBondContact O-N 2.93Å; L123-N125 VanDerWaalsContact C-N 3.3Å; L123-D126 PolarHBondContact O-N 3.17Å
124F88Confident88.9Confident0 Ų051.8 Ų51.80%028%0.28CS..Hα-helixtrans-70.1-29.9176.9-82.930.2000111.4A61 V65 P79 Y83 T120 T121 V122 D126 V127 N128 A131 F135A61-F124 HydrophobicContact CB-CD2 4.27Å; A61-F124 HydrophobicContact CB-CE2 4.03Å; V65-F124 HydrophobicContact CB-CZ 4.5Å; V65-F124 HydrophobicContact CG1-CE1 4.43Å; V65-F124 HydrophobicContact CG2-CB 4.28Å; V65-F124 HydrophobicContact CG2-CD1 3.99Å; V65-F124 HydrophobicContact CG2-CD2 3.61Å; V65-F124 HydrophobicContact CG2-CE1 4.15Å; V65-F124 HydrophobicContact CG2-CE2 3.78Å; V65-F124 HydrophobicContact CG2-CG 3.7Å; V65-F124 HydrophobicContact CG2-CZ 4.04Å; P79-F124 HydrophobicContact CB-CD1 3.74Å; P79-F124 HydrophobicContact CB-CE1 3.69Å; Y83-F124 HydrophobicContact CD2-CZ 4.35Å; Y83-F124 HydrophobicContact CG-CZ 4.41Å; T120-F124 HydrophobicContact CG2-CD1 3.81Å; T120-F124 HydrophobicContact CG2-CE1 3.47Å; T120-F124 VanDerWaalsContact CG2-CE1 3.47Å; T120-F124 HydrophobicContact CG2-CZ 3.94Å; T120-F124 WeakPolarHBondContact O-CB 3.35Å; T120-F124 WeakPolarHBondContact O-CD1 3.35Å; T120-F124 WeakPolarHBondContact O-CG 3.11Å; T120-F124 PolarHBondContact O-N 3.1Å; T121-F124 PolarHBondContact O-N 3.17Å; V122-F124 VanDerWaalsContact C-N 3.27Å; V122-F124 PolarHBondContact O-N 3.07Å; F124-D126 VanDerWaalsContact C-N 3.28Å; F124-D126 PolarHBondContact O-N 3.23Å; F124-V127 PolarHBondContact O-N 3.17Å; F124-N128 CarbonylContact O-C 3.46Å; F124-N128 PolarHBondContact O-N 2.95Å; F124-A131 HydrophobicContact CB-CB 4.37Å; F124-A131 HydrophobicContact CD2-CB 3.9Å; F124-F135 AromaticContact CD2-CD2 3.66Å; F124-F135 HydrophobicContact CD2-CD2 3.66Å; F124-F135 AromaticContact CD2-CE2 3.72Å; F124-F135 HydrophobicContact CD2-CE2 3.72Å; F124-F135 HydrophobicContact CD2-CG 4.22Å; F124-F135 HydrophobicContact CD2-CZ 4.31Å; F124-F135 AromaticContact CE2-CD2 3.75Å; F124-F135 HydrophobicContact CE2-CD2 3.75Å; F124-F135 AromaticContact CE2-CE2 3.28Å; F124-F135 HydrophobicContact CE2-CE2 3.28Å; F124-F135 AromaticContact CE2-CZ 3.74Å; F124-F135 HydrophobicContact CE2-CZ 3.74Å; F124-F135 HydrophobicContact CZ-CE2 4.14Å; F124-F135 HydrophobicContact CZ-CZ 4.18Å
125N88.7Confident88.8Confident64 Ų6451.3 Ų51.334%0.34228%0.276SS..Hα-helixtrans-63.6-33.9177-176.264.8000112.7T121 V122 L123 V127 F132T121-N125 PolarHBondContact O-N 3.09Å; V122-N125 VanDerWaalsContact O-CB 3.27Å; V122-N125 WeakPolarHBondContact O-CB 3.31Å; V122-N125 PolarHBondContact O-N 3.19Å; V122-N125 VanDerWaalsContact O-N 3.11Å; L123-N125 VanDerWaalsContact C-N 3.3Å; N125-V127 VanDerWaalsContact C-N 3.29Å; N125-V127 PolarHBondContact O-N 3.12Å; N125-F132 HydrophobicContact CB-CB 3.89Å; N125-F132 HydrophobicContact CB-CD2 3.7Å; N125-F132 HydrophobicContact CB-CE2 4.35Å; N125-F132 HydrophobicContact CB-CG 3.83Å
126D84.6Confident88.6Confident123 Ų12349.8 Ų49.866%0.65826%0.264SS*.Hα-helixtrans-72.5-23.9-179.9-65.3-19.5000112.5L123 F124L123-D126 PolarHBondContact O-N 3.17Å; F124-D126 VanDerWaalsContact C-N 3.28Å; F124-D126 PolarHBondContact O-N 3.23Å
127V84.1Confident88.6Confident29 Ų2952.6 Ų52.618%0.17628%0.28CS..Hα-helixtrans-96.2-52.2178.1-1770000111.8V65 A75 P79 F124 N125V65-V127 HydrophobicContact CG1-CB 4.28Å; V65-V127 HydrophobicContact CG1-CG1 4.09Å; V65-V127 HydrophobicContact CG1-CG2 4.35Å; A75-V127 HydrophobicContact CB-CG2 4.19Å; P79-V127 HydrophobicContact CG-CG2 3.82Å; F124-V127 PolarHBondContact O-N 3.17Å; N125-V127 VanDerWaalsContact C-N 3.29Å; N125-V127 PolarHBondContact O-N 3.12Å
128N85.5Confident88.4Confident18 Ų1852.6 Ų52.610%0.09628%0.28CS..  trans-149.2119-175.8-178.9-34.9000111.8D68 F124 M130 A131 F132D68-N128 HydrophobicContact CB-CB 4.49Å; D68-N128 PolarHBondContact OD2-ND2 2.87Å; F124-N128 CarbonylContact O-C 3.46Å; F124-N128 PolarHBondContact O-N 2.95Å; N128-M130 VanDerWaalsContact C-N 3.3Å; N128-M130 PolarHBondContact O-N 3.07Å; N128-M130 VanDerWaalsContact OD1-CA 3.31Å; N128-M130 WeakPolarHBondContact OD1-CA 3.48Å; N128-M130 WeakPolarHBondContact OD1-CB 3.38Å; N128-M130 PolarHBondContact OD1-N 3.21Å; N128-A131 HydrophobicContact CB-CB 4.03Å; N128-A131 WeakPolarHBondContact O-CB 3.38Å; N128-A131 PolarHBondContact O-N 3.16Å; N128-A131 VanDerWaalsContact O-N 3.1Å; N128-A131 PolarHBondContact OD1-N 3.38Å; N128-F132 PolarHBondContact O-N 3.21Å; N128-F132 VanDerWaalsContact O-N 3.08Å
129K87.7Confident88.3Confident158 Ų15850.3 Ų50.369%0.68727%0.268SS*.Hα-helixtrans-60.2-33.5178.7-65.8-174.4179.5-179.80114.1F132 Q133K129-F132 WeakPolarHBondContact O-CB 3.45Å; K129-F132 PolarHBondContact O-N 3.33Å; K129-Q133 WeakPolarHBondContact O-CG 3.48Å; K129-Q133 PolarHBondContact O-N 3.41Å
130M88.8Confident88.2Confident94 Ų9452.5 Ų52.546%0.46328%0.276SS..Hα-helixtrans-68.7-39.8175.5-165.8179.8-171.500111.3L64 N128 F132 Q133 L134L64-M130 HydrophobicContact CD1-CB 4.36Å; L64-M130 HydrophobicContact CD1-CG 4.17Å; L64-M130 HydrophobicContact CD1-SD 4.1Å; N128-M130 VanDerWaalsContact C-N 3.3Å; N128-M130 PolarHBondContact O-N 3.07Å; N128-M130 VanDerWaalsContact OD1-CA 3.31Å; N128-M130 WeakPolarHBondContact OD1-CA 3.48Å; N128-M130 WeakPolarHBondContact OD1-CB 3.38Å; N128-M130 PolarHBondContact OD1-N 3.21Å; M130-F132 VanDerWaalsContact C-N 3.34Å; M130-Q133 PolarHBondContact O-N 3.45Å; M130-L134 WeakPolarHBondContact O-CD1 3.49Å; M130-L134 WeakPolarHBondContact O-CG 3.39Å; M130-L134 PolarHBondContact O-N 2.9Å
131A87.5Confident88.2Confident0 Ų053.7 Ų53.70%028%0.281CS..Hα-helixtrans-64-41174.900000111.4A61 L64 V65 F124 N128 L134 F135A61-A131 HydrophobicContact CB-CB 4.15Å; L64-A131 HydrophobicContact CB-CB 4.31Å; V65-A131 HydrophobicContact CG2-CB 3.59Å; F124-A131 HydrophobicContact CB-CB 4.37Å; F124-A131 HydrophobicContact CD2-CB 3.9Å; N128-A131 HydrophobicContact CB-CB 4.03Å; N128-A131 WeakPolarHBondContact O-CB 3.38Å; N128-A131 PolarHBondContact O-N 3.16Å; N128-A131 VanDerWaalsContact O-N 3.1Å; N128-A131 PolarHBondContact OD1-N 3.38Å; A131-L134 PolarHBondContact O-N 3.11Å; A131-F135 PolarHBondContact O-N 3.49Å
132F88Confident88Confident60 Ų6053.6 Ų53.626%0.26328%0.28SS..Hα-helixtrans-57-50.4170.5167.2-105.4000112.1T121 N125 N128 K129 M130 L134 F135 I136T121-F132 HydrophobicContact CG2-CD2 3.46Å; T121-F132 VanDerWaalsContact CG2-CD2 3.46Å; T121-F132 HydrophobicContact CG2-CE2 3.6Å; T121-F132 WeakPolarHBondContact O-CD2 3.47Å; N125-F132 HydrophobicContact CB-CB 3.89Å; N125-F132 HydrophobicContact CB-CD2 3.7Å; N125-F132 HydrophobicContact CB-CE2 4.35Å; N125-F132 HydrophobicContact CB-CG 3.83Å; N128-F132 PolarHBondContact O-N 3.21Å; N128-F132 VanDerWaalsContact O-N 3.08Å; K129-F132 WeakPolarHBondContact O-CB 3.45Å; K129-F132 PolarHBondContact O-N 3.33Å; M130-F132 VanDerWaalsContact C-N 3.34Å; F132-L134 VanDerWaalsContact C-N 3.28Å; F132-L134 PolarHBondContact O-N 3.45Å; F132-F135 CarbonylContact O-C 3.6Å; F132-F135 WeakPolarHBondContact O-CA 3.45Å; F132-F135 PolarHBondContact O-N 3.47Å; F132-I136 HydrophobicContact CD1-CD1 4.12Å; F132-I136 HydrophobicContact CD1-CG1 4.47Å; F132-I136 HydrophobicContact CE1-CD1 3.65Å; F132-I136 HydrophobicContact CE1-CG1 4.14Å; F132-I136 HydrophobicContact CE2-CG1 4.38Å; F132-I136 HydrophobicContact CZ-CD1 3.99Å; F132-I136 HydrophobicContact CZ-CG1 4.09Å; F132-I136 WeakPolarHBondContact O-CG1 3.2Å; F132-I136 PolarHBondContact O-N 2.9Å
133Q90.2Very high87.8Confident126 Ų12654.3 Ų54.359%0.58928%0.28SS*.Hα-helixtrans-58.7-37.9179.5-75.1175.6-35.500113K129 M130 F135 I136 P137K129-Q133 WeakPolarHBondContact O-CG 3.48Å; K129-Q133 PolarHBondContact O-N 3.41Å; M130-Q133 PolarHBondContact O-N 3.45Å; Q133-F135 VanDerWaalsContact C-N 3.27Å; Q133-F135 PolarHBondContact O-N 3.24Å; Q133-I136 PolarHBondContact O-N 3.34Å; Q133-P137 WeakPolarHBondContact O-CD 3.38Å
134L89.2Confident87.7Confident47 Ų4755 Ų5525%0.24628%0.281CS..Hα-helixtrans-68.5-26.2176-72.5162.3000113.3Y60 A61 L64 M130 A131 F132Y60-L134 HydrophobicContact CD1-CD1 3.61Å; Y60-L134 HydrophobicContact CE1-CD1 4.11Å; A61-L134 HydrophobicContact CB-CB 4.06Å; A61-L134 HydrophobicContact CB-CD1 4.14Å; L64-L134 HydrophobicContact CD1-CD1 3.8Å; M130-L134 WeakPolarHBondContact O-CD1 3.49Å; M130-L134 WeakPolarHBondContact O-CG 3.39Å; M130-L134 PolarHBondContact O-N 2.9Å; A131-L134 PolarHBondContact O-N 3.11Å; F132-L134 VanDerWaalsContact C-N 3.28Å; F132-L134 PolarHBondContact O-N 3.45Å
135F87.7Confident87.5Confident0 Ų055.9 Ų55.90%029%0.289CS..Hα-helixtrans-87.1-18.2177.2-102.2-106.4000113.5M58 A61 Y83 T120 T121 F124 A131 F132 Q133 Y138 A139M58-F135 HydrophobicContact CB-CE2 4.41Å; M58-F135 HydrophobicContact CB-CZ 4.35Å; M58-F135 HydrophobicContact CG-CE1 4.36Å; M58-F135 HydrophobicContact CG-CE2 4.07Å; M58-F135 HydrophobicContact CG-CZ 3.75Å; A61-F135 HydrophobicContact CB-CD2 3.61Å; A61-F135 HydrophobicContact CB-CE2 3.6Å; Y83-F135 AromaticContact CD2-CZ 3.8Å; Y83-F135 HydrophobicContact CD2-CZ 3.8Å; Y83-F135 AromaticContact CE2-CZ 3.93Å; Y83-F135 HydrophobicContact CE2-CZ 3.93Å; T120-F135 HydrophobicContact CG2-CE1 3.89Å; T120-F135 HydrophobicContact CG2-CZ 4.3Å; T121-F135 HydrophobicContact CG2-CB 3.94Å; F124-F135 AromaticContact CD2-CD2 3.66Å; F124-F135 HydrophobicContact CD2-CD2 3.66Å; F124-F135 AromaticContact CD2-CE2 3.72Å; F124-F135 HydrophobicContact CD2-CE2 3.72Å; F124-F135 HydrophobicContact CD2-CG 4.22Å; F124-F135 HydrophobicContact CD2-CZ 4.31Å; F124-F135 AromaticContact CE2-CD2 3.75Å; F124-F135 HydrophobicContact CE2-CD2 3.75Å; F124-F135 AromaticContact CE2-CE2 3.28Å; F124-F135 HydrophobicContact CE2-CE2 3.28Å; F124-F135 AromaticContact CE2-CZ 3.74Å; F124-F135 HydrophobicContact CE2-CZ 3.74Å; F124-F135 HydrophobicContact CZ-CE2 4.14Å; F124-F135 HydrophobicContact CZ-CZ 4.18Å; A131-F135 PolarHBondContact O-N 3.49Å; F132-F135 CarbonylContact O-C 3.6Å; F132-F135 WeakPolarHBondContact O-CA 3.45Å; F132-F135 PolarHBondContact O-N 3.47Å; Q133-F135 VanDerWaalsContact C-N 3.27Å; Q133-F135 PolarHBondContact O-N 3.24Å; F135-Y138 AromaticContact CD1-CD1 3.86Å; F135-Y138 HydrophobicContact CD1-CD1 3.86Å; F135-Y138 AromaticContact CE1-CD1 3.78Å; F135-Y138 HydrophobicContact CE1-CD1 3.78Å; F135-Y138 HydrophobicContact CE1-CE1 4.19Å; F135-Y138 WeakPolarHBondContact O-CA 3.49Å; F135-Y138 WeakPolarHBondContact O-CB 3.45Å; F135-Y138 PolarHBondContact O-N 3.23Å; F135-A139 PolarHBondContact O-N 3.31Å
136I88.9Confident87.3Confident70 Ų7053.5 Ų53.536%0.35928%0.277SS..Hα-helixtrans-55.6-51176.6-66.1170.6000111.7F132 Q133 Y138 A139 V140F132-I136 HydrophobicContact CD1-CD1 4.12Å; F132-I136 HydrophobicContact CD1-CG1 4.47Å; F132-I136 HydrophobicContact CE1-CD1 3.65Å; F132-I136 HydrophobicContact CE1-CG1 4.14Å; F132-I136 HydrophobicContact CE2-CG1 4.38Å; F132-I136 HydrophobicContact CZ-CD1 3.99Å; F132-I136 HydrophobicContact CZ-CG1 4.09Å; F132-I136 WeakPolarHBondContact O-CG1 3.2Å; F132-I136 PolarHBondContact O-N 2.9Å; Q133-I136 PolarHBondContact O-N 3.34Å; I136-Y138 PolarHBondContact O-N 3.39Å; I136-A139 PolarHBondContact O-N 2.9Å; I136-V140 HydrophobicContact CG2-CG2 4.32Å; I136-V140 WeakPolarHBondContact O-CG2 3.36Å; I136-V140 PolarHBondContact O-N 3.01Å
137P89.7Confident87.3Confident76 Ų7654.3 Ų54.349%0.49427%0.271SS..Hα-helixtrans-56.6-34.1177-25.134000112.7Q133 W141Q133-P137 WeakPolarHBondContact O-CD 3.38Å; P137-W141 VanDerWaalsContact O-CB 3.31Å; P137-W141 WeakPolarHBondContact O-CB 3.25Å; P137-W141 PolarHBondContact O-N 3.45Å
138Y87.6Confident87.2Confident0 Ų054.2 Ų54.20%027%0.27CS..Hα-helixtrans-71.2-45.5178.3-176.3-138.9000112.9W51 L54 M58 Q86 V117 F135 I136 V140 W141 T142W51-Y138 HydrophobicContact CH2-CE2 4.23Å; W51-Y138 AromaticContact CZ3-CE2 3.87Å; W51-Y138 HydrophobicContact CZ3-CE2 3.87Å; L54-Y138 HydrophobicContact CB-CD2 4.37Å; L54-Y138 HydrophobicContact CD1-CD2 3.94Å; L54-Y138 VanDerWaalsContact CD2-CA 3.47Å; L54-Y138 HydrophobicContact CD2-CD2 3.9Å; L54-Y138 HydrophobicContact CD2-CG 4.16Å; L54-Y138 HydrophobicContact CG-CD2 4.29Å; M58-Y138 HydrophobicContact CE-CD1 3.64Å; M58-Y138 HydrophobicContact CE-CD2 3.5Å; M58-Y138 VanDerWaalsContact CE-CD2 3.5Å; M58-Y138 HydrophobicContact CE-CE1 3.36Å; M58-Y138 HydrophobicContact CE-CE2 3.23Å; M58-Y138 HydrophobicContact CE-CG 3.71Å; M58-Y138 HydrophobicContact CG-CD1 4.24Å; M58-Y138 HydrophobicContact CG-CE1 4.4Å; M58-Y138 HydrophobicContact SD-CD1 4.09Å; M58-Y138 HydrophobicContact SD-CE1 3.68Å; Q86-Y138 VanDerWaalsContact OE1-CE1 3.23Å; Q86-Y138 PolarHBondContact OE1-OH 3.06Å; V117-Y138 HydrophobicContact CB-CD1 4.42Å; V117-Y138 HydrophobicContact CB-CE1 3.98Å; V117-Y138 HydrophobicContact CG1-CD1 3.38Å; V117-Y138 HydrophobicContact CG1-CE1 3.42Å; V117-Y138 VanDerWaalsContact CG1-CE1 3.42Å; V117-Y138 HydrophobicContact CG1-CG 4.04Å; V117-Y138 HydrophobicContact CG2-CD1 4.19Å; V117-Y138 HydrophobicContact CG2-CE1 3.31Å; V117-Y138 VanDerWaalsContact CG2-CZ 3.49Å; V117-Y138 WeakPolarHBondContact CG2-OH 3.37Å; F135-Y138 AromaticContact CD1-CD1 3.86Å; F135-Y138 HydrophobicContact CD1-CD1 3.86Å; F135-Y138 AromaticContact CE1-CD1 3.78Å; F135-Y138 HydrophobicContact CE1-CD1 3.78Å; F135-Y138 HydrophobicContact CE1-CE1 4.19Å; F135-Y138 WeakPolarHBondContact O-CA 3.49Å; F135-Y138 WeakPolarHBondContact O-CB 3.45Å; F135-Y138 PolarHBondContact O-N 3.23Å; I136-Y138 PolarHBondContact O-N 3.39Å; Y138-V140 VanDerWaalsContact C-N 3.32Å; Y138-V140 PolarHBondContact O-N 2.95Å; Y138-W141 PolarHBondContact O-N 2.84Å; Y138-T142 HydrophobicContact CD2-CG2 3.68Å; Y138-T142 HydrophobicContact CE1-CG2 4.46Å; Y138-T142 HydrophobicContact CE2-CG2 3.22Å; Y138-T142 HydrophobicContact CG-CG2 4.44Å; Y138-T142 VanDerWaalsContact O-CG2 3.29Å; Y138-T142 WeakPolarHBondContact O-CG2 3.49Å; Y138-T142 PolarHBondContact O-N 3.4Å; Y138-T142 PolarHBondContact O-OG1 2.89Å; Y138-T142 VanDerWaalsContact O-OG1 3.06Å
139A88.7Confident86.8Confident12 Ų1254.9 Ų54.910%0.09927%0.274CS..Hα-helixtrans-59.4-44174.800000111.3V117 V118 F135 I136 W141 T142 I143V117-A139 HydrophobicContact CG1-CB 4.3Å; V118-A139 HydrophobicContact CG2-CB 4.4Å; F135-A139 PolarHBondContact O-N 3.31Å; I136-A139 PolarHBondContact O-N 2.9Å; A139-W141 PolarHBondContact O-N 3.15Å; A139-T142 PolarHBondContact O-N 3.39Å; A139-T142 PolarHBondContact O-OG1 3.4Å; A139-I143 WeakPolarHBondContact O-CD1 3.42Å; A139-I143 WeakPolarHBondContact O-CG1 3.23Å; A139-I143 PolarHBondContact O-N 2.87Å
140V89.7Confident86.4Confident92 Ų9249.6 Ų49.656%0.55825%0.253SS*.Hα-helixtrans-62.2-45.1176.5174.30000111.2I136 Y138 I143 F144I136-V140 HydrophobicContact CG2-CG2 4.32Å; I136-V140 WeakPolarHBondContact O-CG2 3.36Å; I136-V140 PolarHBondContact O-N 3.01Å; Y138-V140 VanDerWaalsContact C-N 3.32Å; Y138-V140 PolarHBondContact O-N 2.95Å; V140-I143 PolarHBondContact O-N 3.06Å; V140-F144 WeakPolarHBondContact O-CB 3.48Å; V140-F144 PolarHBondContact O-N 2.64Å
141W88Confident85.9Confident25 Ų2546 Ų4610%0.09524%0.238CC..Hα-helixtrans-64.4-42.1179.8-176.2-105.1000113P42 I46 F47 F50 W51 L54 P137 Y138 A139 F144 A145P42-W141 HydrophobicContact CG-CH2 4.41Å; I46-W141 HydrophobicContact CG2-CH2 4.33Å; F47-W141 AromaticContact CD2-CZ2 3.93Å; F47-W141 HydrophobicContact CD2-CZ2 3.93Å; F50-W141 HydrophobicContact CB-CD2 4.3Å; F50-W141 HydrophobicContact CB-CE3 4.48Å; F50-W141 HydrophobicContact CB-CH2 4.06Å; F50-W141 HydrophobicContact CB-CZ2 3.84Å; F50-W141 HydrophobicContact CB-CZ3 4.37Å; F50-W141 HydrophobicContact CD1-CD2 4.17Å; F50-W141 AromaticContact CD1-CE3 3.75Å; F50-W141 HydrophobicContact CD1-CE3 3.75Å; F50-W141 HydrophobicContact CD1-CH2 4.4Å; F50-W141 AromaticContact CD1-CZ3 3.88Å; F50-W141 HydrophobicContact CD1-CZ3 3.88Å; F50-W141 HydrophobicContact CD2-CH2 4.02Å; F50-W141 HydrophobicContact CD2-CZ3 4.06Å; F50-W141 HydrophobicContact CE1-CE3 4.12Å; F50-W141 HydrophobicContact CE1-CZ3 4.14Å; F50-W141 HydrophobicContact CE2-CZ3 4.3Å; F50-W141 HydrophobicContact CG-CD2 4.36Å; F50-W141 HydrophobicContact CG-CE3 4.07Å; F50-W141 AromaticContact CG-CH2 3.89Å; F50-W141 HydrophobicContact CG-CH2 3.89Å; F50-W141 HydrophobicContact CG-CZ2 4.19Å; F50-W141 AromaticContact CG-CZ3 3.82Å; F50-W141 HydrophobicContact CG-CZ3 3.82Å; F50-W141 HydrophobicContact CZ-CZ3 4.33Å; W51-W141 AromaticContact CE2-NE1 3.98Å; L54-W141 HydrophobicContact CD1-CB 4.09Å; L54-W141 VanDerWaalsContact CD1-CD1 3.41Å; L54-W141 HydrophobicContact CD1-CG 3.77Å; P137-W141 VanDerWaalsContact O-CB 3.31Å; P137-W141 WeakPolarHBondContact O-CB 3.25Å; P137-W141 PolarHBondContact O-N 3.45Å; Y138-W141 PolarHBondContact O-N 2.84Å; A139-W141 PolarHBondContact O-N 3.15Å; W141-F144 HydrophobicContact CZ3-CD1 4.43Å; W141-F144 WeakPolarHBondContact O-CB 3.17Å; W141-F144 PolarHBondContact O-N 3.19Å; W141-A145 WeakPolarHBondContact O-CB 3.27Å; W141-A145 PolarHBondContact O-N 2.86Å
142T85.8Confident85.1Confident4 Ų448 Ų483%0.02525%0.249CC..Hα-helixtrans-68.1-39.9179.653.80000111.7V117 Y138 A139 F144 A145 T146V117-T142 HydrophobicContact CB-CG2 4.44Å; V117-T142 HydrophobicContact CG1-CG2 4.22Å; V117-T142 HydrophobicContact CG2-CG2 4.12Å; Y138-T142 HydrophobicContact CD2-CG2 3.68Å; Y138-T142 HydrophobicContact CE1-CG2 4.46Å; Y138-T142 HydrophobicContact CE2-CG2 3.22Å; Y138-T142 HydrophobicContact CG-CG2 4.44Å; Y138-T142 VanDerWaalsContact O-CG2 3.29Å; Y138-T142 WeakPolarHBondContact O-CG2 3.49Å; Y138-T142 PolarHBondContact O-N 3.4Å; Y138-T142 PolarHBondContact O-OG1 2.89Å; Y138-T142 VanDerWaalsContact O-OG1 3.06Å; A139-T142 PolarHBondContact O-N 3.39Å; A139-T142 PolarHBondContact O-OG1 3.4Å; T142-F144 VanDerWaalsContact C-N 3.3Å; T142-F144 PolarHBondContact O-N 3.29Å; T142-A145 PolarHBondContact O-N 2.82Å; T142-T146 WeakPolarHBondContact O-CB 3.27Å; T142-T146 PolarHBondContact O-N 3.02Å; T142-T146 PolarHBondContact O-OG1 3.02Å
143I87.5Confident84.2Confident94 Ų9448.9 Ų48.948%0.48225%0.25SS..Hα-helixtrans-60-42.9172-67.1164.8000110.7V118 A139 V140 T146 Y147V118-I143 HydrophobicContact CG2-CD1 4.28Å; A139-I143 WeakPolarHBondContact O-CD1 3.42Å; A139-I143 WeakPolarHBondContact O-CG1 3.23Å; A139-I143 PolarHBondContact O-N 2.87Å; V140-I143 PolarHBondContact O-N 3.06Å; I143-T146 WeakPolarHBondContact O-CB 3.45Å; I143-T146 PolarHBondContact O-N 3.43Å; I143-Y147 PolarHBondContact O-N 3.24Å
144F86.3Confident83.4Confident62 Ų6251 Ų5127%0.27225%0.253SS..Hα-helixtrans-62.9-43.3175.6-177.9-105000112.4L40 P42 V140 W141 T142 T146 Y147 L148L40-F144 HydrophobicContact CD2-CE2 3.69Å; L40-F144 HydrophobicContact CD2-CZ 4.06Å; P42-F144 HydrophobicContact CG-CE1 4.38Å; V140-F144 WeakPolarHBondContact O-CB 3.48Å; V140-F144 PolarHBondContact O-N 2.64Å; W141-F144 HydrophobicContact CZ3-CD1 4.43Å; W141-F144 WeakPolarHBondContact O-CB 3.17Å; W141-F144 PolarHBondContact O-N 3.19Å; T142-F144 VanDerWaalsContact C-N 3.3Å; T142-F144 PolarHBondContact O-N 3.29Å; F144-T146 VanDerWaalsContact C-N 3.33Å; F144-T146 PolarHBondContact O-N 2.94Å; F144-Y147 WeakPolarHBondContact O-CB 3.22Å; F144-Y147 PolarHBondContact O-N 3.22Å; F144-L148 PolarHBondContact O-N 2.91Å
145A84Confident82.3Confident19 Ų1953.2 Ų53.216%0.15726%0.263CS..Hα-helixtrans-63.7-38175.800000112.3W141 T142 L148 T149W141-A145 WeakPolarHBondContact O-CB 3.27Å; W141-A145 PolarHBondContact O-N 2.86Å; T142-A145 PolarHBondContact O-N 2.82Å; A145-L148 PolarHBondContact O-N 3.38Å; A145-T149 WeakPolarHBondContact O-CB 3.44Å; A145-T149 PolarHBondContact O-N 3.47Å; A145-T149 PolarHBondContact O-OG1 3.45Å
146T84.6Confident81.4Confident15 Ų1554.3 Ų54.39%0.09227%0.269CS..Hα-helixtrans-63.5-47.9173.4-65.50000111.1V110 C111 A114 T142 I143 F144 L148 T149 I150V110-T146 HydrophobicContact CG1-CG2 4.24Å; V110-T146 PolarHBondContact O-OG1 3.41Å; V110-T146 VanDerWaalsContact O-OG1 3.12Å; C111-T146 VanDerWaalsContact SG-CG2 3.57Å; A114-T146 WeakPolarHBondContact CB-OG1 3.42Å; T142-T146 WeakPolarHBondContact O-CB 3.27Å; T142-T146 PolarHBondContact O-N 3.02Å; T142-T146 PolarHBondContact O-OG1 3.02Å; I143-T146 WeakPolarHBondContact O-CB 3.45Å; I143-T146 PolarHBondContact O-N 3.43Å; F144-T146 VanDerWaalsContact C-N 3.33Å; F144-T146 PolarHBondContact O-N 2.94Å; T146-L148 VanDerWaalsContact C-N 3.32Å; T146-L148 PolarHBondContact O-N 3.49Å; T146-T149 PolarHBondContact O-N 3.32Å; T146-I150 HydrophobicContact CG2-CD1 3.64Å; T146-I150 HydrophobicContact CG2-CG1 4.32Å; T146-I150 WeakPolarHBondContact O-CB 3.49Å; T146-I150 VanDerWaalsContact O-CG1 3.27Å; T146-I150 WeakPolarHBondContact O-CG1 3.41Å; T146-I150 PolarHBondContact O-N 3.11Å
147Y84.9Confident80.1Confident139 Ų13956.2 Ų56.255%0.54527%0.272SS..Hα-helixtrans-55.5-48.1174.8171.6-96000111.4I143 F144 T149 I150 A151I143-Y147 PolarHBondContact O-N 3.24Å; F144-Y147 WeakPolarHBondContact O-CB 3.22Å; F144-Y147 PolarHBondContact O-N 3.22Å; Y147-T149 PolarHBondContact O-N 3.39Å; Y147-I150 PolarHBondContact O-N 3.25Å; Y147-A151 VanDerWaalsContact O-CB 3.27Å; Y147-A151 WeakPolarHBondContact O-CB 3.41Å; Y147-A151 PolarHBondContact O-N 2.84Å
148L80.3Confident78.5Confident27 Ų2757.7 Ų57.714%0.14128%0.276CS..Hα-helixtrans-60.8-44.8178.9-174.269000111.7P38 T41 F144 A145 T146 A151 I152P38-L148 HydrophobicContact CG-CD1 3.44Å; P38-L148 VanDerWaalsContact CG-CD1 3.44Å; T41-L148 HydrophobicContact CG2-CD2 4.37Å; F144-L148 PolarHBondContact O-N 2.91Å; A145-L148 PolarHBondContact O-N 3.38Å; T146-L148 VanDerWaalsContact C-N 3.32Å; T146-L148 PolarHBondContact O-N 3.49Å; L148-A151 PolarHBondContact O-N 3.45Å; L148-I152 HydrophobicContact CD1-CD1 4.45Å; L148-I152 HydrophobicContact CG-CD1 4.01Å; L148-I152 WeakPolarHBondContact O-CB 3.43Å; L148-I152 VanDerWaalsContact O-CG1 3.22Å; L148-I152 WeakPolarHBondContact O-CG1 3.4Å; L148-I152 PolarHBondContact O-N 3.17Å
149T78.1Confident77.1Confident32 Ų3259.4 Ų59.420%0.19629%0.293CS..Hα-helixtrans-66.5-42.6-179.5-56.90000111.7A107 V110 A145 T146 Y147 I152 W153A107-T149 HydrophobicContact CB-CG2 4.17Å; V110-T149 HydrophobicContact CG1-CG2 3.82Å; A145-T149 WeakPolarHBondContact O-CB 3.44Å; A145-T149 PolarHBondContact O-N 3.47Å; A145-T149 PolarHBondContact O-OG1 3.45Å; T146-T149 PolarHBondContact O-N 3.32Å; Y147-T149 PolarHBondContact O-N 3.39Å; T149-I152 PolarHBondContact O-N 3.04Å; T149-W153 WeakPolarHBondContact O-CB 3.12Å; T149-W153 PolarHBondContact O-N 3.39Å
150I78.4Confident75.6Confident48 Ų4861.1 Ų61.125%0.24630%0.3CS..Hα-helixtrans-65-41.5174.9-67.1169.8000110.5T146 Y147 W153 R154T146-I150 HydrophobicContact CG2-CD1 3.64Å; T146-I150 HydrophobicContact CG2-CG1 4.32Å; T146-I150 WeakPolarHBondContact O-CB 3.49Å; T146-I150 VanDerWaalsContact O-CG1 3.27Å; T146-I150 WeakPolarHBondContact O-CG1 3.41Å; T146-I150 PolarHBondContact O-N 3.11Å; Y147-I150 PolarHBondContact O-N 3.25Å; I150-W153 PolarHBondContact O-N 3.39Å; I150-R154 HydrophobicContact CG2-CG 4.32Å; I150-R154 WeakPolarHBondContact O-CB 3.44Å; I150-R154 WeakPolarHBondContact O-CG 3.43Å; I150-R154 PolarHBondContact O-N 3.38Å
151A78.2Confident74Confident17 Ų1762.8 Ų62.814%0.1430%0.3CS..Hα-helixtrans-61.3-47.8176.700000110.9P38 Y147 L148 W153 R154 M155P38-A151 HydrophobicContact CG-CB 4.27Å; Y147-A151 VanDerWaalsContact O-CB 3.27Å; Y147-A151 WeakPolarHBondContact O-CB 3.41Å; Y147-A151 PolarHBondContact O-N 2.84Å; L148-A151 PolarHBondContact O-N 3.45Å; A151-W153 VanDerWaalsContact C-N 3.32Å; A151-W153 PolarHBondContact O-N 3.47Å; A151-R154 PolarHBondContact O-N 3.28Å; A151-M155 VanDerWaalsContact O-CG 3.25Å; A151-M155 WeakPolarHBondContact O-CG 3.21Å; A151-M155 PolarHBondContact O-N 3.39Å
152I70.3Confident72.5Confident43 Ų4369.2 Ų69.222%0.22133%0.329CS..Hα-helixtrans-59.1-44.2175.2-69.1165.5000110.6L35 P38 L148 T149 M155 N156L35-I152 HydrophobicContact CD2-CG2 4.44Å; P38-I152 HydrophobicContact CG-CG1 4.35Å; L148-I152 HydrophobicContact CD1-CD1 4.45Å; L148-I152 HydrophobicContact CG-CD1 4.01Å; L148-I152 WeakPolarHBondContact O-CB 3.43Å; L148-I152 VanDerWaalsContact O-CG1 3.22Å; L148-I152 WeakPolarHBondContact O-CG1 3.4Å; L148-I152 PolarHBondContact O-N 3.17Å; T149-I152 PolarHBondContact O-N 3.04Å; I152-M155 PolarHBondContact O-N 3.49Å; I152-N156 WeakPolarHBondContact O-CB 3.38Å; I152-N156 PolarHBondContact O-N 3.47Å; I152-N156 PolarHBondContact O-ND2 2.82Å
153W70.7Confident71.3Confident78 Ų7874.3 Ų74.330%0.29536%0.355SS..Hα-helixtrans-62.5-48177.4178.372.3000111.9A107 T149 I150 A151 M155 N156 R157A107-W153 HydrophobicContact CB-CB 4.35Å; A107-W153 HydrophobicContact CB-CG 4.43Å; T149-W153 WeakPolarHBondContact O-CB 3.12Å; T149-W153 PolarHBondContact O-N 3.39Å; I150-W153 PolarHBondContact O-N 3.39Å; A151-W153 VanDerWaalsContact C-N 3.32Å; A151-W153 PolarHBondContact O-N 3.47Å; W153-M155 VanDerWaalsContact C-N 3.34Å; W153-M155 PolarHBondContact O-N 3.25Å; W153-N156 PolarHBondContact O-N 3.2Å; W153-R157 WeakPolarHBondContact O-CB 3.25Å; W153-R157 PolarHBondContact O-N 3.35Å
154R73Confident69.9Low170 Ų17078.4 Ų78.464%0.64236%0.364SS*.Hα-helixtrans-58.7-43.3178.1-77.6-176.9179.4-1750.8112I150 A151 N156I150-R154 HydrophobicContact CG2-CG 4.32Å; I150-R154 WeakPolarHBondContact O-CB 3.44Å; I150-R154 WeakPolarHBondContact O-CG 3.43Å; I150-R154 PolarHBondContact O-N 3.38Å; A151-R154 PolarHBondContact O-N 3.28Å; R154-N156 VanDerWaalsContact C-N 3.34Å; R154-N156 PolarHBondContact O-N 3.04Å
155M66.5Low68.5Low94 Ų9482 Ų8246%0.46338%0.379SS..Hα-helixtrans-68.1-32.6179.1-66.8176.989.600112.6V36 P38 A151 I152 W153V36-M155 HydrophobicContact CB-CE 4.32Å; V36-M155 HydrophobicContact CG1-CE 3.39Å; P38-M155 HydrophobicContact CB-SD 4.36Å; A151-M155 VanDerWaalsContact O-CG 3.25Å; A151-M155 WeakPolarHBondContact O-CG 3.21Å; A151-M155 PolarHBondContact O-N 3.39Å; I152-M155 PolarHBondContact O-N 3.49Å; W153-M155 VanDerWaalsContact C-N 3.34Å; W153-M155 PolarHBondContact O-N 3.25Å
156N67.1Low67.3Low24 Ų2491 Ų9113%0.12841%0.409CS..Hα-helixtrans-94.9-7.8-178.3-73.4-81.8000114.6R103 I152 W153 R154 N158 G159 D160R103-N156 PolarHBondContact NH1-OD1 3.3Å; R103-N156 VanDerWaalsContact NH1-OD1 3.15Å; I152-N156 WeakPolarHBondContact O-CB 3.38Å; I152-N156 PolarHBondContact O-N 3.47Å; I152-N156 PolarHBondContact O-ND2 2.82Å; W153-N156 PolarHBondContact O-N 3.2Å; R154-N156 VanDerWaalsContact C-N 3.34Å; R154-N156 PolarHBondContact O-N 3.04Å; N156-N158 PolarHBondContact O-N 3.34Å; N156-N158 VanDerWaalsContact O-N 3.17Å; N156-G159 PolarHBondContact O-N 3.43Å; N156-D160 PolarHBondContact O-N 3.05Å
157R62.2Low66.3Low109 Ų10998 Ų9841%0.41144%0.439SS..Hα-helixtrans-55.4-34.6-179.5-166.7172.670.6164.21.4112.8W153 K161W153-R157 WeakPolarHBondContact O-CB 3.25Å; W153-R157 PolarHBondContact O-N 3.35Å; R157-K161 WeakPolarHBondContact O-CG 3.25Å; R157-K161 PolarHBondContact O-N 3.49Å; R157-K161 VanDerWaalsContact O-N 3.15Å
158N56.8Low65.4Low108 Ų10897.4 Ų97.458%0.57845%0.445SS*.Hα-helixtrans-73.5-31.1-179.9-67.5-9.6000112.8N156 K162N156-N158 PolarHBondContact O-N 3.34Å; N156-N158 VanDerWaalsContact O-N 3.17Å; N158-K162 PolarHBondContact O-N 3.1Å
159G58Low64.9Low35 Ų35101.5 Ų101.536%0.36147%0.467SS..Hα-helixtrans-70.8-43.4174.300000112.1N156 K161 K162 I163N156-G159 PolarHBondContact O-N 3.43Å; G159-K161 PolarHBondContact O-N 3.15Å; G159-K162 PolarHBondContact O-N 2.81Å; G159-I163 WeakPolarHBondContact O-CG1 3.37Å; G159-I163 PolarHBondContact O-N 3.21Å
160D56.6Low64Low48 Ų48103.2 Ų103.226%0.25749%0.491SS..Hα-helixtrans-66.1-38.1178.9-77.9-26.4000112.4R103 N156 I163 R164R103-D160 IonicContact CZ-OD1 3.65Å; R103-D160 IonicContact CZ-OD2 3.31Å; R103-D160 VanDerWaalsContact CZ-OD2 3.31Å; R103-D160 IonicContact NE-OD1 3.92Å; R103-D160 IonicContact NE-OD2 3.06Å; R103-D160 PolarHBondContact NE-OD2 3.28Å; R103-D160 IonicContact NH2-OD1 2.64Å; R103-D160 PolarHBondContact NH2-OD1 2.96Å; R103-D160 IonicContact NH2-OD2 3.01Å; R103-D160 PolarHBondContact NH2-OD2 3.04Å; N156-D160 PolarHBondContact O-N 3.05Å; D160-I163 PolarHBondContact O-N 3.49Å; D160-R164 WeakPolarHBondContact O-CB 3.36Å; D160-R164 PolarHBondContact O-N 3.48Å
161K57.2Low62.5Low128 Ų128107.8 Ų107.856%0.55754%0.536SS*.Hα-helixtrans-62.5-43173.1-75.5-175.5178.5-168.60112.3R157 G159 R164 K165R157-K161 WeakPolarHBondContact O-CG 3.25Å; R157-K161 PolarHBondContact O-N 3.49Å; R157-K161 VanDerWaalsContact O-N 3.15Å; G159-K161 PolarHBondContact O-N 3.15Å; K161-R164 PolarHBondContact O-N 3.17Å; K161-K165 WeakPolarHBondContact O-CB 3.32Å; K161-K165 PolarHBondContact O-N 3Å
162K56.2Low61.7Low159 Ų159112.4 Ų112.469%0.69156%0.556SS**Hα-helixtrans-65.1-39.2177.2-79.5-176.4177.6-177.70112.5N158 G159 R166N158-K162 PolarHBondContact O-N 3.1Å; G159-K162 PolarHBondContact O-N 2.81Å; K162-R166 PolarHBondContact O-N 3.39Å
163I59.6Low61.2Low111 Ų111116 Ų11657%0.56957%0.574SS**Hα-helixtrans-68.6-45.1177.3-66.4166.9000110.8G159 D160 K165 R166 K167G159-I163 WeakPolarHBondContact O-CG1 3.37Å; G159-I163 PolarHBondContact O-N 3.21Å; D160-I163 PolarHBondContact O-N 3.49Å; I163-K165 VanDerWaalsContact C-N 3.33Å; I163-K165 PolarHBondContact O-N 3.27Å; I163-R166 PolarHBondContact O-N 3.04Å; I163-K167 PolarHBondContact O-N 3.28Å
164R59.2Low60.7Low181 Ų181118.1 Ų118.168%0.68359%0.589SS**Hα-helixtrans-60.3-43174.7-81.5-174.8169.7-167.3-3.4111.9D160 K161 K167 N168D160-R164 WeakPolarHBondContact O-CB 3.36Å; D160-R164 PolarHBondContact O-N 3.48Å; K161-R164 PolarHBondContact O-N 3.17Å; R164-K167 PolarHBondContact O-N 2.91Å; R164-N168 PolarHBondContact O-N 3.07Å
165K57.4Low60Low136 Ų136115.1 Ų115.159%0.59159%0.586SS**Hα-helixtrans-61.9-47.6176.9-168.9173.8-178.9-1780111.7K161 I163 K167 N168 D169K161-K165 WeakPolarHBondContact O-CB 3.32Å; K161-K165 PolarHBondContact O-N 3Å; I163-K165 VanDerWaalsContact C-N 3.33Å; I163-K165 PolarHBondContact O-N 3.27Å; K165-K167 VanDerWaalsContact C-N 3.25Å; K165-K167 PolarHBondContact O-N 2.87Å; K165-N168 PolarHBondContact O-N 3.02Å; K165-N168 VanDerWaalsContact O-N 3.11Å; K165-D169 WeakPolarHBondContact CE-OD2 3.42Å; K165-D169 WeakPolarHBondContact CG-OD2 3.34Å; K165-D169 WeakPolarHBondContact O-CB 3.46Å; K165-D169 PolarHBondContact O-N 3.3Å
166R59Low59.6Low209 Ų209116.4 Ų116.479%0.78959%0.594SS**Hα-helixtrans-59.2-33174-78.9-170.8-178.5-155.3-0.1114.1K162 I163 G170K162-R166 PolarHBondContact O-N 3.39Å; I163-R166 PolarHBondContact O-N 3.04Å; R166-G170 PolarHBondContact O-N 3.26Å
167K63.1Low59.1Low163 Ų163122.5 Ų122.571%0.70963%0.625SS**Hα-helixtrans-74.6-32.2177.7-162.7-178.6179.3-171.80112.2I163 R164 K165I163-K167 PolarHBondContact O-N 3.28Å; R164-K167 PolarHBondContact O-N 2.91Å; K165-K167 VanDerWaalsContact C-N 3.25Å; K165-K167 PolarHBondContact O-N 2.87Å
168N66.3Low58.9Low125 Ų125123.5 Ų123.567%0.66864%0.64SS**Hα-helixtrans-80.6-31.4175.3-76.613.3000112.8R164 K165 G170R164-N168 PolarHBondContact O-N 3.07Å; K165-N168 PolarHBondContact O-N 3.02Å; K165-N168 VanDerWaalsContact O-N 3.11Å; N168-G170 VanDerWaalsContact C-N 3.31Å
169D69.7Low59Low113 Ų113124.7 Ų124.760%0.60465%0.645SS**THydrogen-bonded Turntrans-83.3-8.7178.8-59.6-9.3000112.4K165K165-D169 WeakPolarHBondContact CE-OD2 3.42Å; K165-D169 WeakPolarHBondContact CG-OD2 3.34Å; K165-D169 WeakPolarHBondContact O-CB 3.46Å; K165-D169 PolarHBondContact O-N 3.3Å
170G57.8Low59.1Low69 Ų69132.2 Ų132.271%0.71167%0.668SS**THydrogen-bonded Turntrans-115.317.4-177.200000114.4R166 N168R166-G170 PolarHBondContact O-N 3.26Å; N168-G170 VanDerWaalsContact C-N 3.31Å
171A47.4Very low59.3Low144 Ų144139.8 Ų139.8100%1.1971%0.706SS**  trans-122.30169.500000108.1

Retrieved 171 of 171 residues in 301.7 ms (Link to these results)