A0A077Z8V6_TRITR Loading...

EPL1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z8V6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 291 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
1M60.1Low75.7Confident199 Ų199123.2 Ų123.298%0.9861%0.613SS**  0-34.20-141.4-174.8-80.600113.5Q5M1-Q5 WeakPolarHBondContact O-CG 3.3Å
2H78.4Confident74.9Confident144 Ų144120.2 Ų120.267%0.66761%0.612SS**Hα-helixtrans-65.8-40-177.1-169.6-97.1000115.4Q4 Q5 V6H2-Q4 PolarHBondContact O-N 3.49Å; H2-Q5 PolarHBondContact O-N 3.41Å; H2-V6 WeakPolarHBondContact O-CG2 3.44Å; H2-V6 PolarHBondContact O-N 3.4Å
3L81.7Confident74.3Confident128 Ų128118.8 Ų118.867%0.6761%0.606SS**Hα-helixtrans-63.9-42.4-176.5-17865000112.8Q5 V6 I7L3-Q5 VanDerWaalsContact C-N 3.32Å; L3-Q5 PolarHBondContact O-N 3.47Å; L3-V6 PolarHBondContact O-N 2.91Å; L3-I7 HydrophobicContact CD1-CD1 4.28Å; L3-I7 HydrophobicContact CG-CD1 3.96Å; L3-I7 WeakPolarHBondContact O-CG1 3.43Å; L3-I7 PolarHBondContact O-N 2.94Å
4Q83.2Confident73.3Confident157 Ų157118.1 Ų118.173%0.73462%0.617SS**Hα-helixtrans-68.4-34.2-178.9-160.2163.7-6.400111.5H2 I7 S8H2-Q4 PolarHBondContact O-N 3.49Å; Q4-I7 PolarHBondContact O-N 2.84Å; Q4-S8 WeakPolarHBondContact O-CB 3.26Å; Q4-S8 PolarHBondContact O-N 3.2Å; Q4-S8 PolarHBondContact O-OG 3.44Å; Q4-S8 VanDerWaalsContact O-OG 3.07Å
5Q80.7Confident72.9Confident112 Ų112121.2 Ų121.252%0.52362%0.623SS.*Hα-helixtrans-66-39.6172.1-70.7173-33.400112.3M1 H2 L3 S8 A9M1-Q5 WeakPolarHBondContact O-CG 3.3Å; H2-Q5 PolarHBondContact O-N 3.41Å; L3-Q5 VanDerWaalsContact C-N 3.32Å; L3-Q5 PolarHBondContact O-N 3.47Å; Q5-S8 WeakPolarHBondContact CA-OG 3.43Å; Q5-S8 PolarHBondContact O-OG 2.98Å; Q5-A9 VanDerWaalsContact O-CB 3.29Å; Q5-A9 WeakPolarHBondContact O-CB 3.38Å; Q5-A9 PolarHBondContact O-N 3.48Å
6V75.7Confident72.4Confident73 Ų73120.8 Ų120.844%0.44263%0.631SS.*Hα-helixtrans-65.7-41.6175171.80000111.1H2 L3 R10H2-V6 WeakPolarHBondContact O-CG2 3.44Å; H2-V6 PolarHBondContact O-N 3.4Å; L3-V6 PolarHBondContact O-N 2.91Å; V6-R10 WeakPolarHBondContact O-CB 3.42Å; V6-R10 PolarHBondContact O-N 3.17Å
7I76.2Confident71.7Confident79 Ų79118.1 Ų118.141%0.40562%0.62SS.*Hα-helixtrans-66.6-44.6177.9-67.3167.3000110.7L3 Q4 A9 R10 Q11L3-I7 HydrophobicContact CD1-CD1 4.28Å; L3-I7 HydrophobicContact CG-CD1 3.96Å; L3-I7 WeakPolarHBondContact O-CG1 3.43Å; L3-I7 PolarHBondContact O-N 2.94Å; Q4-I7 PolarHBondContact O-N 2.84Å; I7-A9 PolarHBondContact O-N 3.31Å; I7-R10 PolarHBondContact O-N 3.27Å; I7-Q11 HydrophobicContact CG2-CG 4.4Å; I7-Q11 WeakPolarHBondContact O-CB 3.45Å; I7-Q11 VanDerWaalsContact O-CG 3.3Å; I7-Q11 WeakPolarHBondContact O-CG 3.39Å; I7-Q11 PolarHBondContact O-N 2.82Å
8S78.9Confident71.3Confident63 Ų63117.6 Ų117.644%0.44161%0.614SS.*Hα-helixtrans-64.5-39.8177.255.50000112.6Q4 Q5 R10 Q11 S12Q4-S8 WeakPolarHBondContact O-CB 3.26Å; Q4-S8 PolarHBondContact O-N 3.2Å; Q4-S8 PolarHBondContact O-OG 3.44Å; Q4-S8 VanDerWaalsContact O-OG 3.07Å; Q5-S8 WeakPolarHBondContact CA-OG 3.43Å; Q5-S8 PolarHBondContact O-OG 2.98Å; S8-R10 VanDerWaalsContact C-N 3.3Å; S8-R10 PolarHBondContact O-N 3.21Å; S8-Q11 PolarHBondContact O-N 2.84Å; S8-S12 PolarHBondContact O-N 3.29Å; S8-S12 PolarHBondContact O-OG 2.91Å
9A73.3Confident70.7Confident53 Ų53117.1 Ų117.144%0.43863%0.629SS.*Hα-helixtrans-65.1-35.6175.400000111.9Q5 I7 S12 I13Q5-A9 VanDerWaalsContact O-CB 3.29Å; Q5-A9 WeakPolarHBondContact O-CB 3.38Å; Q5-A9 PolarHBondContact O-N 3.48Å; I7-A9 PolarHBondContact O-N 3.31Å; A9-S12 WeakPolarHBondContact CA-OG 3.43Å; A9-S12 PolarHBondContact O-OG 3.26Å; A9-I13 WeakPolarHBondContact O-CG1 3.45Å
10R71.7Confident70.5Confident202 Ų202118.4 Ų118.476%0.76263%0.629SS**Hα-helixtrans-72-33175.6-168.5165.6179.9159-1.2112.4V6 I7 S8V6-R10 WeakPolarHBondContact O-CB 3.42Å; V6-R10 PolarHBondContact O-N 3.17Å; I7-R10 PolarHBondContact O-N 3.27Å; S8-R10 VanDerWaalsContact C-N 3.3Å; S8-R10 PolarHBondContact O-N 3.21Å
11Q72.6Confident70.4Confident145 Ų145117.4 Ų117.468%0.67862%0.624SS**Hα-helixtrans-79.6-26177.8-72.5174.4-1600113.2I7 S8 I13I7-Q11 HydrophobicContact CG2-CG 4.4Å; I7-Q11 WeakPolarHBondContact O-CB 3.45Å; I7-Q11 VanDerWaalsContact O-CG 3.3Å; I7-Q11 WeakPolarHBondContact O-CG 3.39Å; I7-Q11 PolarHBondContact O-N 2.82Å; S8-Q11 PolarHBondContact O-N 2.84Å; Q11-I13 PolarHBondContact O-N 2.9Å
12S66.5Low71.1Confident87 Ų87112.5 Ų112.561%0.60861%0.605SS**SBendtrans-70.6-14.2171.7550000113.6S8 A9 S14S8-S12 PolarHBondContact O-N 3.29Å; S8-S12 PolarHBondContact O-OG 2.91Å; A9-S12 WeakPolarHBondContact CA-OG 3.43Å; A9-S12 PolarHBondContact O-OG 3.26Å; S12-S14 VanDerWaalsContact C-N 3.27Å; S12-S14 PolarHBondContact O-N 3.37Å
13I67.2Low71.3Confident103 Ų103110.8 Ų110.853%0.52861%0.609SS.*  trans-81.777.9171.6-59.7166.6000107.5A9 Q11 K15 V17A9-I13 WeakPolarHBondContact O-CG1 3.45Å; Q11-I13 PolarHBondContact O-N 2.9Å; I13-K15 VanDerWaalsContact C-N 3.35Å; I13-V17 HydrophobicContact CG2-CG2 3.59Å
14S59.4Low71.3Confident109 Ų109111.8 Ų111.876%0.76261%0.613SS**  trans-86-0.7-17561.20000114.6S12S12-S14 VanDerWaalsContact C-N 3.27Å; S12-S14 PolarHBondContact O-N 3.37Å
15K68.4Low71.4Confident164 Ų164109.8 Ų109.871%0.71361%0.614SS**SBendtrans-109.9138.7176.4-67.8-179.8178.8179.60109.6I13 V17I13-K15 VanDerWaalsContact C-N 3.35Å; K15-V17 PolarHBondContact O-N 3.02Å
16P64.4Low71.9Confident114 Ų114111.8 Ų111.874%0.7463%0.627SS**  trans-59.3106.6166.825.7-30.9000106.9Q18P16-Q18 PolarHBondContact O-N 3.15Å
17V60.8Low72.6Confident75 Ų75113.2 Ų113.246%0.45564%0.637SS.*  trans-58.8106.3176.11760000106.3I13 K15 D21 V22I13-V17 HydrophobicContact CG2-CG2 3.59Å; K15-V17 PolarHBondContact O-N 3.02Å; V17-D21 HydrophobicContact CG1-CB 3.97Å; V17-V22 HydrophobicContact CG1-CG2 3.34Å
18Q63.9Low73.3Confident110 Ų110120.9 Ų120.951%0.51466%0.661SS.*  trans-70.6153.3175.7-59.8-150.429.500108.1P16 F20 D21P16-Q18 PolarHBondContact O-N 3.15Å; Q18-F20 HydrophobicContact CB-CD1 3.63Å; Q18-F20 HydrophobicContact CB-CD2 4.26Å; Q18-F20 HydrophobicContact CB-CE1 3.3Å; Q18-F20 HydrophobicContact CB-CE2 3.93Å; Q18-F20 HydrophobicContact CB-CG 4.12Å; Q18-F20 HydrophobicContact CB-CZ 3.45Å; Q18-F20 VanDerWaalsContact CB-CZ 3.45Å; Q18-F20 VanDerWaalsContact CD-CE1 3.42Å; Q18-F20 VanDerWaalsContact CD-CZ 3.45Å; Q18-F20 HydrophobicContact CG-CE1 3.85Å; Q18-F20 HydrophobicContact CG-CE2 4.49Å; Q18-F20 HydrophobicContact CG-CZ 3.74Å; Q18-F20 PolarHBondContact O-N 3.37Å; Q18-D21 PolarHBondContact N-OD2 3.36Å; Q18-D21 WeakPolarHBondContact O-CB 3.36Å; Q18-D21 PolarHBondContact O-N 2.8Å
19A60.6Low73.7Confident107 Ų107123.7 Ų123.788%0.88468%0.676SS**THydrogen-bonded Turntrans-56.3-19.4-176.600000113.5
20F66.9Low74.3Confident144 Ų144129.7 Ų129.763%0.63270%0.695SS**THydrogen-bonded Turntrans-84.6-16.2174.161-107.8000115Q18 V22Q18-F20 HydrophobicContact CB-CD1 3.63Å; Q18-F20 HydrophobicContact CB-CD2 4.26Å; Q18-F20 HydrophobicContact CB-CE1 3.3Å; Q18-F20 HydrophobicContact CB-CE2 3.93Å; Q18-F20 HydrophobicContact CB-CG 4.12Å; Q18-F20 HydrophobicContact CB-CZ 3.45Å; Q18-F20 VanDerWaalsContact CB-CZ 3.45Å; Q18-F20 VanDerWaalsContact CD-CE1 3.42Å; Q18-F20 VanDerWaalsContact CD-CZ 3.45Å; Q18-F20 HydrophobicContact CG-CE1 3.85Å; Q18-F20 HydrophobicContact CG-CE2 4.49Å; Q18-F20 HydrophobicContact CG-CZ 3.74Å; Q18-F20 PolarHBondContact O-N 3.37Å; F20-V22 VanDerWaalsContact C-N 3.28Å; F20-V22 PolarHBondContact O-N 2.92Å
21D68.4Low74.7Confident97 Ų97125.6 Ų125.652%0.51969%0.692SS.*SBendtrans-79.3-10.3-178-76.7-33.3000112.9V17 Q18V17-D21 HydrophobicContact CG1-CB 3.97Å; Q18-D21 PolarHBondContact N-OD2 3.36Å; Q18-D21 WeakPolarHBondContact O-CB 3.36Å; Q18-D21 PolarHBondContact O-N 2.8Å
22V74.2Confident75.2Confident97 Ų97125.3 Ų125.359%0.58869%0.691SS**  trans-118.4103.7175.2-179.30000108.5V17 F20V17-V22 HydrophobicContact CG1-CG2 3.34Å; F20-V22 VanDerWaalsContact C-N 3.28Å; F20-V22 PolarHBondContact O-N 2.92Å
23S82.3Confident75.9Confident107 Ų107129.9 Ų129.975%0.74870%0.695SS**PPolyproline II helixtrans-98.7130.3167.757.80000109.5P25S23-P25 WeakPolarHBondContact O-CD 3.26Å
24I81.9Confident76.8Confident149 Ų149131.8 Ų131.876%0.76471%0.706SS**PPolyproline II helixtrans-84.1116.8169.3-60.5173.2000106.2I26I24-I26 PolarHBondContact O-N 3.22Å
25P86.3Confident78.2Confident116 Ų116134.4 Ų134.475%0.75370%0.699SS**PPolyproline II helixtrans-66.1130.4-179.226.9-33.2000110S23S23-P25 WeakPolarHBondContact O-CD 3.26Å
26I90Very high79.2Confident154 Ų154133.4 Ų133.479%0.7969%0.692SS**PPolyproline II helixtrans-95.6122.9172.2-61.1168.6000107.2I24I24-I26 PolarHBondContact O-N 3.22Å
27P91.2Very high80.3Confident102 Ų102134.2 Ų134.266%0.66269%0.686SS**PPolyproline II helixtrans-64.5145.6177.827.6-33.6000110.3V29P27-V29 PolarHBondContact O-N 2.91Å
28R90.2Very high81.7Confident241 Ų241134.9 Ų134.991%0.90970%0.699SS**PPolyproline II helixtrans-68131.9169.4-64.2-178.5-177.8179.70.5108.3
29V88Confident83Confident122 Ų122134.7 Ų134.774%0.73970%0.701SS**  trans-102.3108.3175.4-177.10000107.8P27 T31P27-V29 PolarHBondContact O-N 2.91Å; V29-T31 HydrophobicContact CG1-CG2 4.05Å
30E84.8Confident84.3Confident179 Ų179136.5 Ų136.584%0.83669%0.686SS**  trans-85.5131.5169.6-66.9175.8-175.600108.4
31T80.7Confident85.3Confident116 Ų116139.3 Ų139.371%0.71269%0.692SS**  trans-118.7105.5-179.150.90000110.3V29 R33V29-T31 HydrophobicContact CG1-CG2 4.05Å; T31-R33 VanDerWaalsContact C-N 3.29Å; T31-R33 PolarHBondContact O-N 3.45Å; T31-R33 VanDerWaalsContact O-N 3.11Å
32E83.5Confident86.2Confident139 Ų139141.4 Ų141.465%0.6571%0.709SS**  trans-84.571.4170.7-67.1-172.1176.900110.4N34 R35 Y36E32-N34 VanDerWaalsContact C-N 3.25Å; E32-N34 PolarHBondContact O-N 3.41Å; E32-R35 HydrophobicContact CB-CB 4.14Å; E32-R35 PolarHBondContact O-N 3.07Å; E32-R35 VanDerWaalsContact O-N 3.17Å; E32-R35 VanDerWaalsContact OE2-CD 3.3Å; E32-R35 WeakPolarHBondContact OE2-CD 3.48Å; E32-Y36 PolarHBondContact O-N 3.42Å; E32-Y36 VanDerWaalsContact O-N 3.09Å
33R81.5Confident86.9Confident183 Ų183141.3 Ų141.369%0.69171%0.705SS**Hα-helixtrans-56.1-39-176.1-176.8176.1-87.9164.2-7.7112.7T31 R35 Y36 E37T31-R33 VanDerWaalsContact C-N 3.29Å; T31-R33 PolarHBondContact O-N 3.45Å; T31-R33 VanDerWaalsContact O-N 3.11Å; R33-R35 PolarHBondContact O-N 2.99Å; R33-Y36 WeakPolarHBondContact O-CB 3.43Å; R33-Y36 PolarHBondContact O-N 2.86Å; R33-E37 PolarHBondContact O-N 3.14Å; R33-E37 VanDerWaalsContact O-N 3.09Å
34N86.3Confident87.3Confident143 Ų143143.7 Ų143.777%0.76570%0.702SS**Hα-helixtrans-62-40.9-179.7-62.8-12.6000112.4E32E32-N34 VanDerWaalsContact C-N 3.25Å; E32-N34 PolarHBondContact O-N 3.41Å
35R87.8Confident87.8Confident163 Ų163142.5 Ų142.562%0.61570%0.701SS**Hα-helixtrans-71.9-37.1177.8-172.8-179.4172.2109.13.1110.9E32 R33 A38 L39E32-R35 HydrophobicContact CB-CB 4.14Å; E32-R35 PolarHBondContact O-N 3.07Å; E32-R35 VanDerWaalsContact O-N 3.17Å; E32-R35 VanDerWaalsContact OE2-CD 3.3Å; E32-R35 WeakPolarHBondContact OE2-CD 3.48Å; R33-R35 PolarHBondContact O-N 2.99Å; R35-A38 PolarHBondContact O-N 3.18Å; R35-L39 HydrophobicContact CG-CD1 3.82Å; R35-L39 HydrophobicContact CG-CG 4.38Å; R35-L39 WeakPolarHBondContact O-CG 3.29Å; R35-L39 PolarHBondContact O-N 3.12Å; R35-L39 VanDerWaalsContact O-N 3.16Å
36Y89.2Confident87.9Confident144 Ų144144.7 Ų144.757%0.56570%0.702SS**Hα-helixtrans-60.3-48.2178.3179.2-92.1000112.4E32 R33 A38 L39 Y40E32-Y36 PolarHBondContact O-N 3.42Å; E32-Y36 VanDerWaalsContact O-N 3.09Å; R33-Y36 WeakPolarHBondContact O-CB 3.43Å; R33-Y36 PolarHBondContact O-N 2.86Å; Y36-A38 PolarHBondContact O-N 3.25Å; Y36-L39 PolarHBondContact O-N 2.63Å; Y36-Y40 AromaticContact CD2-CD2 3.63Å; Y36-Y40 HydrophobicContact CD2-CD2 3.63Å; Y36-Y40 HydrophobicContact CD2-CE2 4Å; Y36-Y40 AromaticContact CE2-CD2 3.69Å; Y36-Y40 HydrophobicContact CE2-CD2 3.69Å; Y36-Y40 HydrophobicContact CE2-CE2 4.15Å; Y36-Y40 HydrophobicContact CE2-CG 4.2Å; Y36-Y40 HydrophobicContact CG-CD2 4.29Å; Y36-Y40 PolarHBondContact O-N 2.79Å
37E88.7Confident88Confident131 Ų131140.3 Ų140.361%0.61268%0.683SS**Hα-helixtrans-65-27.9-179.7-70.1176.6-171.700113R33R33-E37 PolarHBondContact O-N 3.14Å; R33-E37 VanDerWaalsContact O-N 3.09Å
38A89.5Confident88.1Confident88 Ų88146.2 Ų146.273%0.72770%0.698SS**Hα-helixtrans-77.6-32.3175.700000113.5R35 Y36R35-A38 PolarHBondContact O-N 3.18Å; Y36-A38 PolarHBondContact O-N 3.25Å
39L90Very high88.2Confident107 Ų107145.1 Ų145.156%0.5669%0.694SS**Hα-helixtrans-88.1-38.7-175-70.3174.3000113.6R35 Y36R35-L39 HydrophobicContact CG-CD1 3.82Å; R35-L39 HydrophobicContact CG-CG 4.38Å; R35-L39 WeakPolarHBondContact O-CG 3.29Å; R35-L39 PolarHBondContact O-N 3.12Å; R35-L39 VanDerWaalsContact O-N 3.16Å; Y36-L39 PolarHBondContact O-N 2.63Å
40Y88.8Confident88.3Confident145 Ų145149.2 Ų149.257%0.56970%0.703SS**SBendtrans-108122.8-171.6-64.9-84.3000111.5Y36Y36-Y40 AromaticContact CD2-CD2 3.63Å; Y36-Y40 HydrophobicContact CD2-CD2 3.63Å; Y36-Y40 HydrophobicContact CD2-CE2 4Å; Y36-Y40 AromaticContact CE2-CD2 3.69Å; Y36-Y40 HydrophobicContact CE2-CD2 3.69Å; Y36-Y40 HydrophobicContact CE2-CE2 4.15Å; Y36-Y40 HydrophobicContact CE2-CG 4.2Å; Y36-Y40 HydrophobicContact CG-CD2 4.29Å; Y36-Y40 PolarHBondContact O-N 2.79Å
41R87.9Confident88.4Confident203 Ų203145.8 Ų145.877%0.76669%0.693SS**  trans-71.3147.2176.2-61.3172.263.3142.42.9111.3D43R41-D43 WeakPolarHBondContact CB-OD1 3.11Å; R41-D43 IonicContact CZ-OD2 2.7Å; R41-D43 IonicContact NE-OD1 3.33Å; R41-D43 PolarHBondContact NE-OD1 3.19Å; R41-D43 IonicContact NE-OD2 2.83Å; R41-D43 PolarHBondContact NE-OD2 3.1Å; R41-D43 IonicContact NH2-OD2 2.97Å; R41-D43 PolarHBondContact NH2-OD2 3.07Å
42T87.5Confident88.4Confident140 Ų140144.6 Ų144.686%0.85970%0.695SS**  trans-108.215.6-177.753.60000113.3
43D89.7Confident88Confident95 Ų95142 Ų14251%0.50870%0.697SS.*  trans-92.711.6-173.163-28.7000114.6R41 V45R41-D43 WeakPolarHBondContact CB-OD1 3.11Å; R41-D43 IonicContact CZ-OD2 2.7Å; R41-D43 IonicContact NE-OD1 3.33Å; R41-D43 PolarHBondContact NE-OD1 3.19Å; R41-D43 IonicContact NE-OD2 2.83Å; R41-D43 PolarHBondContact NE-OD2 3.1Å; R41-D43 IonicContact NH2-OD2 2.97Å; R41-D43 PolarHBondContact NH2-OD2 3.07Å; D43-V45 PolarHBondContact O-N 3.2Å
44F89.6Confident87.5Confident157 Ų157142.3 Ų142.369%0.68971%0.707SS**  trans-68.8122.8176.9178.2-101000111.6Q46F44-Q46 HydrophobicContact CE1-CB 4.2Å
45V91.6Very high86.7Confident124 Ų124139.8 Ų139.875%0.75270%0.7SS**  trans-103.5115.9174.6-179.40000109.1D43 P47D43-V45 PolarHBondContact O-N 3.2Å; V45-P47 WeakPolarHBondContact O-CD 3.47Å
46Q90.2Very high85.6Confident163 Ų163137.1 Ų137.176%0.76271%0.707SS**  trans-61.9123.4-179.3-172.3177.313.900111F44F44-Q46 HydrophobicContact CE1-CB 4.2Å
47P91.8Very high84.1Confident62 Ų62136.6 Ų136.640%0.40371%0.714SS.*  trans-69.9149.2175.926.5-31.5000111V45 R49 V51V45-P47 WeakPolarHBondContact O-CD 3.47Å; P47-R49 WeakPolarHBondContact CG-O 3.41Å; P47-R49 PolarHBondContact O-N 3.41Å; P47-V51 HydrophobicContact CG-CG2 3.84Å
48K93Very high82.9Confident225 Ų225134.4 Ų134.498%0.97871%0.71SS**SBendtrans-65.3-17.8175.9-65.1-175.6178.7-177.40113.6
49R92Very high81.7Confident219 Ų219138.4 Ų138.483%0.82672%0.719SS**SBendtrans-111.6154177.3-64.6-177179180-0.8108.9P47P47-R49 WeakPolarHBondContact CG-O 3.41Å; P47-R49 PolarHBondContact O-N 3.41Å
50F90Very high80.9Confident208 Ų208139.2 Ų139.291%0.91272%0.722SS**  trans-58.5142.8173.6-61.3-66.2000111.4A52F50-A52 PolarHBondContact O-N 2.8Å
51V86.2Confident80.3Confident106 Ų106138.9 Ų138.964%0.64273%0.73SS**  trans-71.7117.8178.8179.70000108.9P47 A53P47-V51 HydrophobicContact CG-CG2 3.84Å; V51-A53 HydrophobicContact CG1-CB 4.22Å; V51-A53 PolarHBondContact O-N 3.4Å
52A81.2Confident79.9Confident91 Ų91137 Ų13775%0.75274%0.735SS**  trans-95.282.3169.900000109.1F50F50-A52 PolarHBondContact O-N 2.8Å
53A76.3Confident79.9Confident84 Ų84134.4 Ų134.469%0.69471%0.71SS**  trans-82.5120.9176.700000110.3V51V51-A53 HydrophobicContact CG1-CB 4.22Å; V51-A53 PolarHBondContact O-N 3.4Å
54Q69.5Low79.8Confident191 Ų191136.4 Ų136.489%0.89372%0.72SS**  trans-126.7-2.5174.4-68.6-171.3-1.800113.5
55S69.4Low79.8Confident89 Ų89132.9 Ų132.962%0.62271%0.707SS**  trans-89.3112.2-177.755.30000111
56S65Low79.7Confident107 Ų107130.2 Ų130.275%0.74869%0.689SS**  trans-70.8-24159.954.20000112T58S56-T58 PolarHBondContact O-N 3.18Å; S56-T58 VanDerWaalsContact O-N 3.11Å
57N58.3Low79.8Confident133 Ų133127.4 Ų127.471%0.71169%0.687SS**  trans-84.388.9-178.9-61.3-0.8000108
58T62.3Low79.8Confident86 Ų86129.5 Ų129.553%0.52870%0.695SS.*  trans-79.7140.2156.944.60000106S56 I60S56-T58 PolarHBondContact O-N 3.18Å; S56-T58 VanDerWaalsContact O-N 3.11Å; T58-I60 HydrophobicContact CG2-CD1 4.28Å; T58-I60 PolarHBondContact O-N 2.99Å; T58-I60 WeakPolarHBondContact OG1-CD1 3.5Å; T58-I60 VanDerWaalsContact OG1-CG1 3.29Å; T58-I60 WeakPolarHBondContact OG1-CG1 3.28Å
59D65.1Low79.7Confident172 Ų172119.1 Ų119.192%0.9265%0.65SS**  trans-67.935.2172.7-65.9-43.3000111.4L61D59-L61 PolarHBondContact O-N 3.43Å
60I72.7Confident79.7Confident124 Ų124112.5 Ų112.564%0.63663%0.628SS**  trans-71.2122.9175.6-68173.9000106T58 D62T58-I60 HydrophobicContact CG2-CD1 4.28Å; T58-I60 PolarHBondContact O-N 2.99Å; T58-I60 WeakPolarHBondContact OG1-CD1 3.5Å; T58-I60 VanDerWaalsContact OG1-CG1 3.29Å; T58-I60 WeakPolarHBondContact OG1-CG1 3.28Å; I60-D62 PolarHBondContact O-N 3.42Å
61L76.5Confident79.8Confident138 Ų138105.5 Ų105.572%0.72361%0.609SS**  trans-62.9133.5170.1-62.7170.8000108.2D59 Y63D59-L61 PolarHBondContact O-N 3.43Å; L61-Y63 PolarHBondContact O-N 2.85Å; L61-Y63 VanDerWaalsContact O-N 3.14Å
62D80.8Confident80.1Confident163 Ų163102.7 Ų102.787%0.87259%0.587SS**SBendtrans-64.3-17.8180-69.3-27.3000113.1I60 I125I60-D62 PolarHBondContact O-N 3.42Å; D62-I125 VanDerWaalsContact O-CD1 3.29Å; D62-I125 WeakPolarHBondContact O-CD1 3.38Å
63Y86.4Confident80.5Confident85 Ų85100.1 Ų100.133%0.33356%0.559SS.*  trans-112.8126.6-178.9-164.2-82.3000111.3L61 D69 L124 I125L61-Y63 PolarHBondContact O-N 2.85Å; L61-Y63 VanDerWaalsContact O-N 3.14Å; Y63-D69 VanDerWaalsContact CE1-OD2 3.26Å; Y63-D69 WeakPolarHBondContact CE1-OD2 3.49Å; Y63-D69 PolarHBondContact OH-OD2 3.1Å; Y63-L124 HydrophobicContact CE2-CB 4.49Å; Y63-L124 HydrophobicContact CE2-CD1 4.07Å; Y63-I125 HydrophobicContact CD2-CD1 4.26Å
64D87.1Confident81Confident137 Ų137100.4 Ų100.473%0.73355%0.546SS*.  trans-108.8128173.5-16816.2000109.2D66D64-D66 PolarHBondContact O-N 3.38Å
65M89.5Confident81.9Confident83 Ų8395.3 Ų95.341%0.40953%0.528SS..  trans-73.1123.5-179.2-74.2176.857.100109.4D69 E70 F73M65-D69 HydrophobicContact CB-CB 3.88Å; M65-D69 HydrophobicContact CE-CB 4.12Å; M65-D69 HydrophobicContact CG-CB 4.06Å; M65-E70 HydrophobicContact CE-CB 4.41Å; M65-E70 WeakPolarHBondContact CE-OE2 3.42Å; M65-F73 HydrophobicContact CE-CB 3.64Å; M65-F73 HydrophobicContact CE-CD1 4.22Å; M65-F73 HydrophobicContact CE-CG 3.92Å
66D90.8Very high82.7Confident69 Ų6991.2 Ų91.237%0.36950%0.499SS..  trans-82.4-174.9171.266.513.7000112D64 D68 D69 E70 K108D64-D66 PolarHBondContact O-N 3.38Å; D66-D68 VanDerWaalsContact C-N 3.27Å; D66-D68 PolarHBondContact O-N 3.43Å; D66-D68 PolarHBondContact OD1-N 3.34Å; D66-D68 VanDerWaalsContact OD1-N 3.17Å; D66-D69 PolarHBondContact N-OD2 3.35Å; D66-D69 PolarHBondContact O-N 3.14Å; D66-D69 WeakPolarHBondContact OD1-CB 3.3Å; D66-D69 PolarHBondContact OD1-N 2.65Å; D66-E70 PolarHBondContact O-N 2.95Å; D66-K108 IonicContact OD1-NZ 2.7Å; D66-K108 PolarHBondContact OD1-NZ 3.35Å; D66-K108 IonicContact OD2-NZ 2.63Å; D66-K108 PolarHBondContact OD2-NZ 2.75Å
67S92Very high83.6Confident104 Ų10487.7 Ų87.773%0.72747%0.473SS*.Hα-helixtrans-64.8-32.1-178.4-59.10000112.9A71S67-A71 WeakPolarHBondContact O-CB 3.49Å; S67-A71 PolarHBondContact O-N 2.93Å; S67-A71 VanDerWaalsContact O-N 3.11Å
68D91.1Very high84.8Confident106 Ų10689.1 Ų89.157%0.56747%0.473SS*.Hα-helixtrans-73.1-40.5178.6-67.3-16.4000110.4D66 A71 W72D66-D68 VanDerWaalsContact C-N 3.27Å; D66-D68 PolarHBondContact O-N 3.43Å; D66-D68 PolarHBondContact OD1-N 3.34Å; D66-D68 VanDerWaalsContact OD1-N 3.17Å; D68-A71 PolarHBondContact O-N 3.3Å; D68-W72 WeakPolarHBondContact O-CB 3.29Å; D68-W72 PolarHBondContact O-N 3.33Å
69D92.3Very high85.8Confident7 Ų791.2 Ų91.24%0.03748%0.475CS..Hα-helixtrans-61.9-43.7174.6-67.3-23.8000111.7Y63 M65 D66 W72 F73 Y104 K108Y63-D69 VanDerWaalsContact CE1-OD2 3.26Å; Y63-D69 WeakPolarHBondContact CE1-OD2 3.49Å; Y63-D69 PolarHBondContact OH-OD2 3.1Å; M65-D69 HydrophobicContact CB-CB 3.88Å; M65-D69 HydrophobicContact CE-CB 4.12Å; M65-D69 HydrophobicContact CG-CB 4.06Å; D66-D69 PolarHBondContact N-OD2 3.35Å; D66-D69 PolarHBondContact O-N 3.14Å; D66-D69 WeakPolarHBondContact OD1-CB 3.3Å; D66-D69 PolarHBondContact OD1-N 2.65Å; D69-W72 PolarHBondContact O-N 3.36Å; D69-F73 WeakPolarHBondContact O-CB 3.42Å; D69-F73 PolarHBondContact O-N 2.95Å; D69-Y104 WeakPolarHBondContact CA-OH 3.46Å; D69-Y104 PolarHBondContact N-OH 2.88Å; D69-Y104 WeakPolarHBondContact OD1-CE1 3.25Å; D69-Y104 VanDerWaalsContact OD1-CZ 3.3Å; D69-Y104 PolarHBondContact OD1-OH 3.5Å; D69-K108 IonicContact OD1-NZ 3.8Å; D69-K108 PolarHBondContact OD1-NZ 3.47Å; D69-K108 IonicContact OD2-NZ 2.79Å; D69-K108 PolarHBondContact OD2-NZ 3.3Å
70E91.5Very high86.5Confident79 Ų7985.9 Ų85.937%0.36944%0.443SS..Hα-helixtrans-64-44.3176.8-176.957.7-149.300111.2M65 D66 W72 F73 Q74M65-E70 HydrophobicContact CE-CB 4.41Å; M65-E70 WeakPolarHBondContact CE-OE2 3.42Å; D66-E70 PolarHBondContact O-N 2.95Å; E70-W72 PolarHBondContact O-N 3.01Å; E70-F73 PolarHBondContact O-N 3.47Å; E70-Q74 VanDerWaalsContact O-CG 3.31Å; E70-Q74 WeakPolarHBondContact O-CG 3.4Å; E70-Q74 PolarHBondContact O-N 2.89Å; E70-Q74 PolarHBondContact OE1-NE2 3.48Å
71A91.9Very high86.8Confident61 Ų6188.4 Ų88.450%0.50445%0.452SS..Hα-helixtrans-61.5-45.2177.600000112.1S67 D68S67-A71 WeakPolarHBondContact O-CB 3.49Å; S67-A71 PolarHBondContact O-N 2.93Å; S67-A71 VanDerWaalsContact O-N 3.11Å; D68-A71 PolarHBondContact O-N 3.3Å
72W92.1Very high86.5Confident48 Ų4882.6 Ų82.618%0.18242%0.423CS..Hα-helixtrans-64.4-44.8175.717783.1000111.4D68 D69 E70 Q74 T75 F76 E100 L101 Y104D68-W72 WeakPolarHBondContact O-CB 3.29Å; D68-W72 PolarHBondContact O-N 3.33Å; D69-W72 PolarHBondContact O-N 3.36Å; E70-W72 PolarHBondContact O-N 3.01Å; W72-Q74 VanDerWaalsContact C-N 3.27Å; W72-Q74 PolarHBondContact O-N 3.38Å; W72-T75 WeakPolarHBondContact O-CA 3.34Å; W72-T75 WeakPolarHBondContact O-CB 3.39Å; W72-T75 PolarHBondContact O-N 2.88Å; W72-T75 PolarHBondContact O-OG1 3.43Å; W72-F76 HydrophobicContact CD2-CB 4.38Å; W72-F76 HydrophobicContact CE3-CB 4.26Å; W72-F76 HydrophobicContact CH2-CB 3.88Å; W72-F76 AromaticContact CH2-CD1 3.77Å; W72-F76 HydrophobicContact CH2-CD1 3.77Å; W72-F76 AromaticContact CH2-CD2 3.44Å; W72-F76 HydrophobicContact CH2-CD2 3.44Å; W72-F76 VanDerWaalsContact CH2-CD2 3.44Å; W72-F76 HydrophobicContact CH2-CE1 4.04Å; W72-F76 AromaticContact CH2-CE2 3.77Å; W72-F76 HydrophobicContact CH2-CE2 3.77Å; W72-F76 AromaticContact CH2-CG 3.43Å; W72-F76 HydrophobicContact CH2-CG 3.43Å; W72-F76 VanDerWaalsContact CH2-CG 3.43Å; W72-F76 HydrophobicContact CH2-CZ 4.06Å; W72-F76 HydrophobicContact CZ2-CB 4.03Å; W72-F76 AromaticContact CZ2-CD2 3.53Å; W72-F76 HydrophobicContact CZ2-CD2 3.53Å; W72-F76 HydrophobicContact CZ2-CE2 4.07Å; W72-F76 AromaticContact CZ2-CG 3.84Å; W72-F76 HydrophobicContact CZ2-CG 3.84Å; W72-F76 HydrophobicContact CZ3-CB 4.01Å; W72-F76 AromaticContact CZ3-CD1 3.96Å; W72-F76 HydrophobicContact CZ3-CD1 3.96Å; W72-F76 HydrophobicContact CZ3-CD2 4.33Å; W72-F76 HydrophobicContact CZ3-CE1 4.44Å; W72-F76 AromaticContact CZ3-CG 3.87Å; W72-F76 HydrophobicContact CZ3-CG 3.87Å; W72-F76 PolarHBondContact O-N 3.11Å; W72-E100 HydrophobicContact CZ2-CG 4.37Å; W72-L101 HydrophobicContact CH2-CB 4.29Å; W72-L101 HydrophobicContact CH2-CD1 3.62Å; W72-L101 HydrophobicContact CZ3-CD1 3.6Å; W72-Y104 HydrophobicContact CB-CD2 4.2Å; W72-Y104 HydrophobicContact CB-CE1 4.42Å; W72-Y104 HydrophobicContact CB-CE2 3.62Å; W72-Y104 AromaticContact CD1-CD2 3.3Å; W72-Y104 AromaticContact CD1-CE2 3.58Å; W72-Y104 AromaticContact CD1-CG 3.93Å; W72-Y104 AromaticContact CD2-CD1 3.67Å; W72-Y104 HydrophobicContact CD2-CD1 3.67Å; W72-Y104 AromaticContact CD2-CD2 3.62Å; W72-Y104 HydrophobicContact CD2-CD2 3.62Å; W72-Y104 AromaticContact CD2-CE1 3.95Å; W72-Y104 HydrophobicContact CD2-CE1 3.95Å; W72-Y104 AromaticContact CD2-CE2 3.9Å; W72-Y104 HydrophobicContact CD2-CE2 3.9Å; W72-Y104 AromaticContact CD2-CG 3.48Å; W72-Y104 HydrophobicContact CD2-CG 3.48Å; W72-Y104 VanDerWaalsContact CD2-CG 3.48Å; W72-Y104 VanDerWaalsContact CE2-CB 3.46Å; W72-Y104 AromaticContact CE2-CD1 3.96Å; W72-Y104 AromaticContact CE2-CD2 3.63Å; W72-Y104 AromaticContact CE2-CG 3.38Å; W72-Y104 AromaticContact CE3-CD1 3.67Å; W72-Y104 HydrophobicContact CE3-CD1 3.67Å; W72-Y104 HydrophobicContact CE3-CD2 4.45Å; W72-Y104 AromaticContact CE3-CE1 3.88Å; W72-Y104 HydrophobicContact CE3-CE1 3.88Å; W72-Y104 AromaticContact CE3-CG 3.98Å; W72-Y104 HydrophobicContact CE3-CG 3.98Å; W72-Y104 HydrophobicContact CG-CD1 4.22Å; W72-Y104 AromaticContact CG-CD2 3.43Å; W72-Y104 HydrophobicContact CG-CD2 3.43Å; W72-Y104 VanDerWaalsContact CG-CD2 3.43Å; W72-Y104 HydrophobicContact CG-CE1 4.19Å; W72-Y104 AromaticContact CG-CE2 3.38Å; W72-Y104 HydrophobicContact CG-CE2 3.38Å; W72-Y104 AromaticContact CG-CG 3.86Å; W72-Y104 HydrophobicContact CG-CG 3.86Å; W72-Y104 AromaticContact CG-CZ 3.79Å; W72-Y104 HydrophobicContact CH2-CD1 4.28Å; W72-Y104 HydrophobicContact CH2-CG 4.29Å; W72-Y104 VanDerWaalsContact CZ2-CB 3.44Å; W72-Y104 HydrophobicContact CZ2-CD1 4.26Å; W72-Y104 HydrophobicContact CZ2-CD2 4.47Å; W72-Y104 AromaticContact CZ2-CG 3.81Å; W72-Y104 HydrophobicContact CZ2-CG 3.81Å; W72-Y104 AromaticContact CZ3-CD1 3.99Å; W72-Y104 HydrophobicContact CZ3-CD1 3.99Å; W72-Y104 HydrophobicContact CZ3-CG 4.35Å; W72-Y104 AromaticContact NE1-CD2 3.4Å; W72-Y104 AromaticContact NE1-CG 3.64Å
73F88.8Confident85.9Confident36 Ų3681.4 Ų81.416%0.15841%0.409CS..Hα-helixtrans-60-36.7-178.8-174.1-108.8000112M65 D69 E70 T75 F76 V77M65-F73 HydrophobicContact CE-CB 3.64Å; M65-F73 HydrophobicContact CE-CD1 4.22Å; M65-F73 HydrophobicContact CE-CG 3.92Å; D69-F73 WeakPolarHBondContact O-CB 3.42Å; D69-F73 PolarHBondContact O-N 2.95Å; E70-F73 PolarHBondContact O-N 3.47Å; F73-T75 VanDerWaalsContact C-N 3.28Å; F73-T75 PolarHBondContact O-N 2.85Å; F73-F76 HydrophobicContact CD2-CD1 4.17Å; F73-F76 HydrophobicContact CE2-CD1 4.32Å; F73-F76 PolarHBondContact O-N 2.9Å; F73-V77 HydrophobicContact CD1-CG2 3.74Å; F73-V77 HydrophobicContact CD2-CG2 4.15Å; F73-V77 HydrophobicContact CE1-CG2 3.33Å; F73-V77 HydrophobicContact CE2-CG2 3.77Å; F73-V77 HydrophobicContact CG-CG2 4.13Å; F73-V77 HydrophobicContact CZ-CG2 3.34Å; F73-V77 WeakPolarHBondContact O-CB 3.22Å; F73-V77 VanDerWaalsContact O-CG2 3.32Å; F73-V77 WeakPolarHBondContact O-CG2 3.18Å; F73-V77 PolarHBondContact O-N 3.34Å
74Q87.8Confident84.8Confident90 Ų9084.7 Ų84.742%0.42143%0.428SS..Hα-helixtrans-62.1-33.6174.2-68.9-64.3-22.700113.1E70 W72 K78E70-Q74 VanDerWaalsContact O-CG 3.31Å; E70-Q74 WeakPolarHBondContact O-CG 3.4Å; E70-Q74 PolarHBondContact O-N 2.89Å; E70-Q74 PolarHBondContact OE1-NE2 3.48Å; W72-Q74 VanDerWaalsContact C-N 3.27Å; W72-Q74 PolarHBondContact O-N 3.38Å; Q74-K78 WeakPolarHBondContact O-CD 3.39Å; Q74-K78 VanDerWaalsContact O-CG 3.26Å; Q74-K78 WeakPolarHBondContact O-CG 3.37Å; Q74-K78 PolarHBondContact O-N 3.16Å
75T89Confident83.8Confident85 Ų8583.2 Ų83.252%0.52143%0.428SS..Hα-helixtrans-74.6-38.1173.968.40000111.8W72 F73 K78 K79W72-T75 WeakPolarHBondContact O-CA 3.34Å; W72-T75 WeakPolarHBondContact O-CB 3.39Å; W72-T75 PolarHBondContact O-N 2.88Å; W72-T75 PolarHBondContact O-OG1 3.43Å; F73-T75 VanDerWaalsContact C-N 3.28Å; F73-T75 PolarHBondContact O-N 2.85Å; T75-K78 PolarHBondContact O-N 2.83Å; T75-K79 PolarHBondContact O-N 3.13Å
76F86.5Confident82.7Confident3 Ų384.5 Ų84.51%0.01343%0.433CS..Hα-helixtrans-69.2-43.6-179.4-177.4-109.7000112.5W72 F73 K78 K79 F80 F97 E100 L101W72-F76 HydrophobicContact CD2-CB 4.38Å; W72-F76 HydrophobicContact CE3-CB 4.26Å; W72-F76 HydrophobicContact CH2-CB 3.88Å; W72-F76 AromaticContact CH2-CD1 3.77Å; W72-F76 HydrophobicContact CH2-CD1 3.77Å; W72-F76 AromaticContact CH2-CD2 3.44Å; W72-F76 HydrophobicContact CH2-CD2 3.44Å; W72-F76 VanDerWaalsContact CH2-CD2 3.44Å; W72-F76 HydrophobicContact CH2-CE1 4.04Å; W72-F76 AromaticContact CH2-CE2 3.77Å; W72-F76 HydrophobicContact CH2-CE2 3.77Å; W72-F76 AromaticContact CH2-CG 3.43Å; W72-F76 HydrophobicContact CH2-CG 3.43Å; W72-F76 VanDerWaalsContact CH2-CG 3.43Å; W72-F76 HydrophobicContact CH2-CZ 4.06Å; W72-F76 HydrophobicContact CZ2-CB 4.03Å; W72-F76 AromaticContact CZ2-CD2 3.53Å; W72-F76 HydrophobicContact CZ2-CD2 3.53Å; W72-F76 HydrophobicContact CZ2-CE2 4.07Å; W72-F76 AromaticContact CZ2-CG 3.84Å; W72-F76 HydrophobicContact CZ2-CG 3.84Å; W72-F76 HydrophobicContact CZ3-CB 4.01Å; W72-F76 AromaticContact CZ3-CD1 3.96Å; W72-F76 HydrophobicContact CZ3-CD1 3.96Å; W72-F76 HydrophobicContact CZ3-CD2 4.33Å; W72-F76 HydrophobicContact CZ3-CE1 4.44Å; W72-F76 AromaticContact CZ3-CG 3.87Å; W72-F76 HydrophobicContact CZ3-CG 3.87Å; W72-F76 PolarHBondContact O-N 3.11Å; F73-F76 HydrophobicContact CD2-CD1 4.17Å; F73-F76 HydrophobicContact CE2-CD1 4.32Å; F73-F76 PolarHBondContact O-N 2.9Å; F76-K78 VanDerWaalsContact C-N 3.3Å; F76-K78 PolarHBondContact O-N 3.3Å; F76-K79 WeakPolarHBondContact O-CB 3.29Å; F76-K79 PolarHBondContact O-N 3.39Å; F76-K79 VanDerWaalsContact O-N 3.07Å; F76-F80 AromaticContact CD2-CD2 3.81Å; F76-F80 HydrophobicContact CD2-CD2 3.81Å; F76-F80 AromaticContact CD2-CE2 3.73Å; F76-F80 HydrophobicContact CD2-CE2 3.73Å; F76-F80 AromaticContact CE2-CD2 3.58Å; F76-F80 HydrophobicContact CE2-CD2 3.58Å; F76-F80 AromaticContact CE2-CE2 3.3Å; F76-F80 HydrophobicContact CE2-CE2 3.3Å; F76-F80 HydrophobicContact CE2-CZ 4.32Å; F76-F80 HydrophobicContact CG-CD2 4.37Å; F76-F80 AromaticContact CZ-CD2 3.99Å; F76-F80 HydrophobicContact CZ-CD2 3.99Å; F76-F80 HydrophobicContact CZ-CE2 4.01Å; F76-F80 PolarHBondContact O-N 3.36Å; F76-F80 VanDerWaalsContact O-N 3.1Å; F76-F97 HydrophobicContact CD1-CE2 4.14Å; F76-F97 AromaticContact CE1-CD2 3.69Å; F76-F97 HydrophobicContact CE1-CD2 3.69Å; F76-F97 HydrophobicContact CE1-CE1 4.38Å; F76-F97 AromaticContact CE1-CE2 3.04Å; F76-F97 HydrophobicContact CE1-CE2 3.04Å; F76-F97 AromaticContact CE1-CZ 3.46Å; F76-F97 HydrophobicContact CE1-CZ 3.46Å; F76-F97 VanDerWaalsContact CE1-CZ 3.46Å; F76-F97 HydrophobicContact CE2-CD2 4.32Å; F76-F97 HydrophobicContact CE2-CE2 4.46Å; F76-F97 HydrophobicContact CZ-CD1 4.42Å; F76-F97 AromaticContact CZ-CD2 3.35Å; F76-F97 HydrophobicContact CZ-CD2 3.35Å; F76-F97 HydrophobicContact CZ-CE1 4.33Å; F76-F97 AromaticContact CZ-CE2 3.24Å; F76-F97 HydrophobicContact CZ-CE2 3.24Å; F76-F97 AromaticContact CZ-CG 3.97Å; F76-F97 HydrophobicContact CZ-CG 3.97Å; F76-F97 AromaticContact CZ-CZ 3.78Å; F76-F97 HydrophobicContact CZ-CZ 3.78Å; F76-F97 WeakPolarHBondContact CZ-O 3.31Å; F76-E100 HydrophobicContact CD2-CG 4.03Å; F76-E100 HydrophobicContact CE2-CB 3.96Å; F76-E100 HydrophobicContact CE2-CG 3.82Å; F76-L101 HydrophobicContact CZ-CB 4.15Å
77V82.5Confident81.5Confident32 Ų3282.6 Ų82.619%0.19443%0.427CS..Hα-helixtrans-60.9-39.7174.4167.50000111.4F73 K79 E81 V82F73-V77 HydrophobicContact CD1-CG2 3.74Å; F73-V77 HydrophobicContact CD2-CG2 4.15Å; F73-V77 HydrophobicContact CE1-CG2 3.33Å; F73-V77 HydrophobicContact CE2-CG2 3.77Å; F73-V77 HydrophobicContact CG-CG2 4.13Å; F73-V77 HydrophobicContact CZ-CG2 3.34Å; F73-V77 WeakPolarHBondContact O-CB 3.22Å; F73-V77 VanDerWaalsContact O-CG2 3.32Å; F73-V77 WeakPolarHBondContact O-CG2 3.18Å; F73-V77 PolarHBondContact O-N 3.34Å; V77-K79 VanDerWaalsContact C-N 3.26Å; V77-K79 PolarHBondContact O-N 3.36Å; V77-E81 VanDerWaalsContact O-CA 3.28Å; V77-E81 WeakPolarHBondContact O-CA 3.5Å; V77-E81 PolarHBondContact O-N 3.46Å; V77-V82 WeakPolarHBondContact CG1-O 3.46Å; V77-V82 PolarHBondContact O-N 2.89Å
78K84.1Confident80.2Confident164 Ų16487.9 Ų87.971%0.71343%0.431SS*.Hα-helixtrans-63.8-33.2175.3-75.2171.9-178.6174.70112.3Q74 T75 F76Q74-K78 WeakPolarHBondContact O-CD 3.39Å; Q74-K78 VanDerWaalsContact O-CG 3.26Å; Q74-K78 WeakPolarHBondContact O-CG 3.37Å; Q74-K78 PolarHBondContact O-N 3.16Å; T75-K78 PolarHBondContact O-N 2.83Å; F76-K78 VanDerWaalsContact C-N 3.3Å; F76-K78 PolarHBondContact O-N 3.3Å
79K84.3Confident79.1Confident130 Ų13086 Ų8657%0.56543%0.431SS*.Hα-helixtrans-74.3-39.7-179.5-169.9-178.1-175.4-172.10112.9T75 F76 V77 E100T75-K79 PolarHBondContact O-N 3.13Å; F76-K79 WeakPolarHBondContact O-CB 3.29Å; F76-K79 PolarHBondContact O-N 3.39Å; F76-K79 VanDerWaalsContact O-N 3.07Å; V77-K79 VanDerWaalsContact C-N 3.26Å; V77-K79 PolarHBondContact O-N 3.36Å; K79-E100 WeakPolarHBondContact CD-OE1 3.32Å; K79-E100 WeakPolarHBondContact CE-OE2 3.49Å; K79-E100 IonicContact NZ-OE1 3.28Å; K79-E100 PolarHBondContact NZ-OE1 3.37Å; K79-E100 IonicContact NZ-OE2 3.2Å; K79-E100 PolarHBondContact NZ-OE2 2.9Å
80F79.5Confident77.9Confident60 Ų6087.5 Ų87.526%0.26344%0.438SS..Hα-helixtrans-106.63.2-175.1-70.3-81.9000114.5F76 V82 D96 F97 E100F76-F80 AromaticContact CD2-CD2 3.81Å; F76-F80 HydrophobicContact CD2-CD2 3.81Å; F76-F80 AromaticContact CD2-CE2 3.73Å; F76-F80 HydrophobicContact CD2-CE2 3.73Å; F76-F80 AromaticContact CE2-CD2 3.58Å; F76-F80 HydrophobicContact CE2-CD2 3.58Å; F76-F80 AromaticContact CE2-CE2 3.3Å; F76-F80 HydrophobicContact CE2-CE2 3.3Å; F76-F80 HydrophobicContact CE2-CZ 4.32Å; F76-F80 HydrophobicContact CG-CD2 4.37Å; F76-F80 AromaticContact CZ-CD2 3.99Å; F76-F80 HydrophobicContact CZ-CD2 3.99Å; F76-F80 HydrophobicContact CZ-CE2 4.01Å; F76-F80 PolarHBondContact O-N 3.36Å; F76-F80 VanDerWaalsContact O-N 3.1Å; F80-V82 HydrophobicContact CB-CG2 3.52Å; F80-V82 PolarHBondContact O-N 2.98Å; F80-D96 HydrophobicContact CE1-CB 4.36Å; F80-F97 HydrophobicContact CB-CD2 4.26Å; F80-F97 HydrophobicContact CD1-CB 4.41Å; F80-F97 HydrophobicContact CD1-CD2 4.27Å; F80-F97 HydrophobicContact CD2-CD2 4.13Å; F80-F97 HydrophobicContact CE1-CB 4.19Å; F80-F97 AromaticContact CG-CD2 3.98Å; F80-F97 HydrophobicContact CG-CD2 3.98Å; F80-F97 HydrophobicContact CZ-CB 4.48Å; F80-E100 WeakPolarHBondContact CE2-OE2 3.48Å; F80-E100 VanDerWaalsContact CZ-OE2 3.29Å; F80-E100 WeakPolarHBondContact CZ-OE2 3.36Å
81E77.9Confident76.8Confident177 Ų17789.6 Ų89.683%0.82745%0.447SS*.THydrogen-bonded Turntrans51.936.7-177.9-58.1-172.1154.200113.9V77V77-E81 VanDerWaalsContact O-CA 3.28Å; V77-E81 WeakPolarHBondContact O-CA 3.5Å; V77-E81 PolarHBondContact O-N 3.46Å
82V70.6Confident76Confident16 Ų1694.1 Ų94.110%0.09746%0.462CS..  trans-80.3125.4-170.4177.20000112.2V77 F80 L90 F97V77-V82 WeakPolarHBondContact CG1-O 3.46Å; V77-V82 PolarHBondContact O-N 2.89Å; F80-V82 HydrophobicContact CB-CG2 3.52Å; F80-V82 PolarHBondContact O-N 2.98Å; V82-L90 HydrophobicContact CB-CD1 4.02Å; V82-L90 HydrophobicContact CG1-CD1 3.43Å; V82-L90 VanDerWaalsContact CG1-CD1 3.43Å; V82-L90 HydrophobicContact CG2-CD1 3.35Å; V82-F97 HydrophobicContact CG2-CD2 4.31Å; V82-F97 HydrophobicContact CG2-CE2 3.83Å
83K68.1Low74.9Confident137 Ų13793.5 Ų93.560%0.59647%0.471SS*.  trans-82.4133.9163.9-67179.2-175.2168.50109.8S85 E86K83-S85 PolarHBondContact O-N 3.38Å; K83-E86 PolarHBondContact O-N 3.12Å
84Q62.9Low74Confident154 Ų15495.6 Ų95.672%0.7249%0.488SS*.G310 helixtrans-51-33.8178.5-71.5178.9-12.300113.2E86Q84-E86 PolarHBondContact O-N 2.89Å
85S66.5Low73.5Confident106 Ų10694.8 Ų94.874%0.74149%0.492SS*.G310 helixtrans-67-17.5179.253.60000114.7K83K83-S85 PolarHBondContact O-N 3.38Å
86E66.5Low73.2Confident111 Ų11195.7 Ų95.752%0.51949%0.494SS..G310 helixtrans-111.1-4.6-172.1-66.8174.6-167.200113K83 Q84 R88 A89K83-E86 PolarHBondContact O-N 3.12Å; Q84-E86 PolarHBondContact O-N 2.89Å; E86-R88 PolarHBondContact O-N 3.06Å; E86-A89 WeakPolarHBondContact O-CB 3.37Å; E86-A89 PolarHBondContact O-N 2.79Å
87A65.2Low73Confident29 Ų2996 Ų9624%0.2450%0.495CS..Hα-helixtrans-54.9-33.4-174.600000113.8A89 L90A87-A89 VanDerWaalsContact C-N 3.28Å; A87-A89 PolarHBondContact O-N 2.91Å; A87-L90 WeakPolarHBondContact O-CB 3.43Å; A87-L90 PolarHBondContact O-N 3.31Å; A87-L90 VanDerWaalsContact O-N 3.16Å
88R65.4Low73.1Confident215 Ų21596.8 Ų96.881%0.81150%0.5SS*.Hα-helixtrans-62.9-33.5176.4-70.7-173.6179.1-175-0.9113.1E86 L90E86-R88 PolarHBondContact O-N 3.06Å; R88-L90 VanDerWaalsContact C-N 3.28Å
89A67.8Low73.2Confident67 Ų6792 Ų9255%0.55448%0.482SS*.Hα-helixtrans-72.1-26.2178.700000111.8E86 A87 F91 N92 G93E86-A89 WeakPolarHBondContact O-CB 3.37Å; E86-A89 PolarHBondContact O-N 2.79Å; A87-A89 VanDerWaalsContact C-N 3.28Å; A87-A89 PolarHBondContact O-N 2.91Å; A89-F91 VanDerWaalsContact C-N 3.3Å; A89-F91 PolarHBondContact O-N 3.25Å; A89-N92 CarbonylContact O-C 3.56Å; A89-N92 PolarHBondContact O-N 3.03Å; A89-N92 VanDerWaalsContact O-N 3.13Å; A89-G93 PolarHBondContact O-N 3.29Å
90L66.5Low73.5Confident38 Ų3888 Ų8820%0.19947%0.466CS..Hα-helixtrans-71.4-21.4-177.5-62.7175.5000113.7V82 A87 R88 N92 G93 F97V82-L90 HydrophobicContact CB-CD1 4.02Å; V82-L90 HydrophobicContact CG1-CD1 3.43Å; V82-L90 VanDerWaalsContact CG1-CD1 3.43Å; V82-L90 HydrophobicContact CG2-CD1 3.35Å; A87-L90 WeakPolarHBondContact O-CB 3.43Å; A87-L90 PolarHBondContact O-N 3.31Å; A87-L90 VanDerWaalsContact O-N 3.16Å; R88-L90 VanDerWaalsContact C-N 3.28Å; L90-N92 PolarHBondContact O-N 3.24Å; L90-G93 WeakPolarHBondContact O-CA 3.32Å; L90-G93 PolarHBondContact O-N 3.49Å; L90-F97 HydrophobicContact CB-CD1 3.73Å; L90-F97 HydrophobicContact CB-CD2 4.48Å; L90-F97 HydrophobicContact CB-CE1 3.68Å; L90-F97 HydrophobicContact CB-CE2 4.42Å; L90-F97 HydrophobicContact CB-CG 4.15Å; L90-F97 HydrophobicContact CB-CZ 4.04Å; L90-F97 HydrophobicContact CD1-CD2 3.96Å; L90-F97 HydrophobicContact CD1-CE1 4.21Å; L90-F97 HydrophobicContact CD1-CE2 3.54Å; L90-F97 HydrophobicContact CD1-CG 4.44Å; L90-F97 HydrophobicContact CD1-CZ 3.69Å
91F69.6Low73.9Confident123 Ų12387.6 Ų87.654%0.53947%0.466SS..THydrogen-bonded Turntrans-64.8-26.6170.9-70.8-72.3000112.8A89 G93 V98 L101A89-F91 VanDerWaalsContact C-N 3.3Å; A89-F91 PolarHBondContact O-N 3.25Å; F91-G93 VanDerWaalsContact C-N 3.35Å; F91-V98 HydrophobicContact CD1-CG2 4.29Å; F91-L101 HydrophobicContact CE1-CD2 4.17Å; F91-L101 HydrophobicContact CZ-CD2 4.37Å
92N74.7Confident74.4Confident155 Ų15585.5 Ų85.583%0.82945%0.451SS*.THydrogen-bonded Turntrans-97.78.7170.4-61.1-34.7000111.8A89 L90A89-N92 CarbonylContact O-C 3.56Å; A89-N92 PolarHBondContact O-N 3.03Å; A89-N92 VanDerWaalsContact O-N 3.13Å; L90-N92 PolarHBondContact O-N 3.24Å
93G68.3Low75.4Confident35 Ų3592 Ų9236%0.36147%0.474SS..SBendtrans-89.2-158.9-176.700000112.6A89 L90 F91A89-G93 PolarHBondContact O-N 3.29Å; L90-G93 WeakPolarHBondContact O-CA 3.32Å; L90-G93 PolarHBondContact O-N 3.49Å; F91-G93 VanDerWaalsContact C-N 3.35Å
94P71.1Confident76.5Confident80 Ų8087.4 Ų87.452%0.51945%0.453SS..  trans-62.3136.9177.825.5-32.4000111.3D96 F97P94-D96 PolarHBondContact O-N 3.46Å; P94-D96 VanDerWaalsContact O-N 3.12Å; P94-F97 PolarHBondContact O-N 2.8Å
95S75.9Confident77.7Confident74 Ų7484.3 Ų84.352%0.51744%0.435SS..Hα-helixtrans-54.9-31.8-176.650.40000113.4F97 V98 D99S95-F97 PolarHBondContact O-N 3.31Å; S95-V98 PolarHBondContact O-N 3.26Å; S95-V98 VanDerWaalsContact O-N 3.11Å; S95-D99 WeakPolarHBondContact O-CB 3.27Å; S95-D99 PolarHBondContact O-N 3.47Å
96D82.6Confident78.6Confident104 Ų10482.3 Ų82.356%0.55642%0.416SS*.Hα-helixtrans-57.6-35.2-176.7-61.1-19.6000113.2F80 P94 E100F80-D96 HydrophobicContact CE1-CB 4.36Å; P94-D96 PolarHBondContact O-N 3.46Å; P94-D96 VanDerWaalsContact O-N 3.12Å; D96-E100 WeakPolarHBondContact O-CB 3.12Å; D96-E100 PolarHBondContact O-N 3.28Å; D96-E100 VanDerWaalsContact O-N 3.14Å
97F84.1Confident79.6Confident10 Ų1081.9 Ų81.94%0.04442%0.417CS..Hα-helixtrans-65.5-50.5177.3175.2-90.6000111.2F76 F80 V82 L90 P94 S95 L101F76-F97 HydrophobicContact CD1-CE2 4.14Å; F76-F97 AromaticContact CE1-CD2 3.69Å; F76-F97 HydrophobicContact CE1-CD2 3.69Å; F76-F97 HydrophobicContact CE1-CE1 4.38Å; F76-F97 AromaticContact CE1-CE2 3.04Å; F76-F97 HydrophobicContact CE1-CE2 3.04Å; F76-F97 AromaticContact CE1-CZ 3.46Å; F76-F97 HydrophobicContact CE1-CZ 3.46Å; F76-F97 VanDerWaalsContact CE1-CZ 3.46Å; F76-F97 HydrophobicContact CE2-CD2 4.32Å; F76-F97 HydrophobicContact CE2-CE2 4.46Å; F76-F97 HydrophobicContact CZ-CD1 4.42Å; F76-F97 AromaticContact CZ-CD2 3.35Å; F76-F97 HydrophobicContact CZ-CD2 3.35Å; F76-F97 HydrophobicContact CZ-CE1 4.33Å; F76-F97 AromaticContact CZ-CE2 3.24Å; F76-F97 HydrophobicContact CZ-CE2 3.24Å; F76-F97 AromaticContact CZ-CG 3.97Å; F76-F97 HydrophobicContact CZ-CG 3.97Å; F76-F97 AromaticContact CZ-CZ 3.78Å; F76-F97 HydrophobicContact CZ-CZ 3.78Å; F76-F97 WeakPolarHBondContact CZ-O 3.31Å; F80-F97 HydrophobicContact CB-CD2 4.26Å; F80-F97 HydrophobicContact CD1-CB 4.41Å; F80-F97 HydrophobicContact CD1-CD2 4.27Å; F80-F97 HydrophobicContact CD2-CD2 4.13Å; F80-F97 HydrophobicContact CE1-CB 4.19Å; F80-F97 AromaticContact CG-CD2 3.98Å; F80-F97 HydrophobicContact CG-CD2 3.98Å; F80-F97 HydrophobicContact CZ-CB 4.48Å; V82-F97 HydrophobicContact CG2-CD2 4.31Å; V82-F97 HydrophobicContact CG2-CE2 3.83Å; L90-F97 HydrophobicContact CB-CD1 3.73Å; L90-F97 HydrophobicContact CB-CD2 4.48Å; L90-F97 HydrophobicContact CB-CE1 3.68Å; L90-F97 HydrophobicContact CB-CE2 4.42Å; L90-F97 HydrophobicContact CB-CG 4.15Å; L90-F97 HydrophobicContact CB-CZ 4.04Å; L90-F97 HydrophobicContact CD1-CD2 3.96Å; L90-F97 HydrophobicContact CD1-CE1 4.21Å; L90-F97 HydrophobicContact CD1-CE2 3.54Å; L90-F97 HydrophobicContact CD1-CG 4.44Å; L90-F97 HydrophobicContact CD1-CZ 3.69Å; P94-F97 PolarHBondContact O-N 2.8Å; S95-F97 PolarHBondContact O-N 3.31Å; F97-L101 WeakPolarHBondContact O-CB 3.32Å; F97-L101 PolarHBondContact O-N 3.42Å; F97-L101 VanDerWaalsContact O-N 3.12Å
98V84Confident80.6Confident48 Ų4881.2 Ų81.229%0.29141%0.409SS..Hα-helixtrans-68.4-39.2-178179.40000110.3F91 S95 E100 L101 Y102F91-V98 HydrophobicContact CD1-CG2 4.29Å; S95-V98 PolarHBondContact O-N 3.26Å; S95-V98 VanDerWaalsContact O-N 3.11Å; V98-E100 PolarHBondContact O-N 2.84Å; V98-L101 PolarHBondContact O-N 3.46Å; V98-Y102 VanDerWaalsContact O-CB 3.22Å; V98-Y102 WeakPolarHBondContact O-CB 3.47Å; V98-Y102 PolarHBondContact O-N 2.91Å
99D87Confident81.3Confident64 Ų6474.3 Ų74.334%0.34238%0.383SS..Hα-helixtrans-63-42179.3-72.6-17.3000111.8S95 R103S95-D99 WeakPolarHBondContact O-CB 3.27Å; S95-D99 PolarHBondContact O-N 3.47Å; D99-R103 WeakPolarHBondContact O-CB 3.44Å; D99-R103 WeakPolarHBondContact O-CG 3.4Å; D99-R103 PolarHBondContact O-N 3.04Å
100E89.1Confident81.8Confident46 Ų4675.7 Ų75.722%0.21538%0.384CS..Hα-helixtrans-72.3-39.9178.5-178.8164.8-167.200112.6W72 F76 K79 F80 D96 V98 Y102 R103 Y104W72-E100 HydrophobicContact CZ2-CG 4.37Å; F76-E100 HydrophobicContact CD2-CG 4.03Å; F76-E100 HydrophobicContact CE2-CB 3.96Å; F76-E100 HydrophobicContact CE2-CG 3.82Å; K79-E100 WeakPolarHBondContact CD-OE1 3.32Å; K79-E100 WeakPolarHBondContact CE-OE2 3.49Å; K79-E100 IonicContact NZ-OE1 3.28Å; K79-E100 PolarHBondContact NZ-OE1 3.37Å; K79-E100 IonicContact NZ-OE2 3.2Å; K79-E100 PolarHBondContact NZ-OE2 2.9Å; F80-E100 WeakPolarHBondContact CE2-OE2 3.48Å; F80-E100 VanDerWaalsContact CZ-OE2 3.29Å; F80-E100 WeakPolarHBondContact CZ-OE2 3.36Å; D96-E100 WeakPolarHBondContact O-CB 3.12Å; D96-E100 PolarHBondContact O-N 3.28Å; D96-E100 VanDerWaalsContact O-N 3.14Å; V98-E100 PolarHBondContact O-N 2.84Å; E100-Y102 VanDerWaalsContact C-N 3.34Å; E100-R103 PolarHBondContact O-N 3.11Å; E100-Y104 PolarHBondContact O-N 3.38Å
101L88.9Confident82.1Confident51 Ų5177.1 Ų77.127%0.26740%0.401SS..Hα-helixtrans-59.8-45.8171.4179.364.9000111.4W72 F76 F91 F97 V98 Y104 W105W72-L101 HydrophobicContact CH2-CB 4.29Å; W72-L101 HydrophobicContact CH2-CD1 3.62Å; W72-L101 HydrophobicContact CZ3-CD1 3.6Å; F76-L101 HydrophobicContact CZ-CB 4.15Å; F91-L101 HydrophobicContact CE1-CD2 4.17Å; F91-L101 HydrophobicContact CZ-CD2 4.37Å; F97-L101 WeakPolarHBondContact O-CB 3.32Å; F97-L101 PolarHBondContact O-N 3.42Å; F97-L101 VanDerWaalsContact O-N 3.12Å; V98-L101 PolarHBondContact O-N 3.46Å; L101-Y104 PolarHBondContact O-N 3.27Å; L101-W105 PolarHBondContact O-N 3.36Å
102Y87.8Confident81.8Confident132 Ų13275.6 Ų75.652%0.51840%0.398SS..Hα-helixtrans-65.7-40.4178.8-177.8-106.3000111.9V98 E100 W105 L106V98-Y102 VanDerWaalsContact O-CB 3.22Å; V98-Y102 WeakPolarHBondContact O-CB 3.47Å; V98-Y102 PolarHBondContact O-N 2.91Å; E100-Y102 VanDerWaalsContact C-N 3.34Å; Y102-W105 HydrophobicContact CD2-CE3 4.2Å; Y102-W105 AromaticContact CE2-CE3 3.95Å; Y102-W105 HydrophobicContact CE2-CE3 3.95Å; Y102-W105 AromaticContact CE2-CZ3 3.91Å; Y102-W105 HydrophobicContact CE2-CZ3 3.91Å; Y102-W105 PolarHBondContact O-N 2.97Å; Y102-L106 HydrophobicContact CE1-CD2 4.37Å; Y102-L106 VanDerWaalsContact O-CB 3.25Å; Y102-L106 WeakPolarHBondContact O-CB 3.19Å; Y102-L106 PolarHBondContact O-N 3.17Å
103R90.6Very high80.7Confident152 Ų15275.8 Ų75.857%0.57440%0.4SS*.Hα-helixtrans-60.5-44.7174.2-79171.9-174.91385111.8D99 E100 L106 N107D99-R103 WeakPolarHBondContact O-CB 3.44Å; D99-R103 WeakPolarHBondContact O-CG 3.4Å; D99-R103 PolarHBondContact O-N 3.04Å; E100-R103 PolarHBondContact O-N 3.11Å; R103-L106 PolarHBondContact O-N 2.76Å; R103-N107 VanDerWaalsContact O-CB 3.29Å; R103-N107 WeakPolarHBondContact O-CB 3.45Å; R103-N107 PolarHBondContact O-N 2.88Å; R103-N107 PolarHBondContact O-ND2 3.37Å
104Y91.2Very high79.9Confident42 Ų4275.1 Ų75.117%0.16539%0.389CS..Hα-helixtrans-59.8-51.1175.6169.7-103.7000111.4D69 W72 E100 L101 L106 N107 K108D69-Y104 WeakPolarHBondContact CA-OH 3.46Å; D69-Y104 PolarHBondContact N-OH 2.88Å; D69-Y104 WeakPolarHBondContact OD1-CE1 3.25Å; D69-Y104 VanDerWaalsContact OD1-CZ 3.3Å; D69-Y104 PolarHBondContact OD1-OH 3.5Å; W72-Y104 HydrophobicContact CB-CD2 4.2Å; W72-Y104 HydrophobicContact CB-CE1 4.42Å; W72-Y104 HydrophobicContact CB-CE2 3.62Å; W72-Y104 AromaticContact CD1-CD2 3.3Å; W72-Y104 AromaticContact CD1-CE2 3.58Å; W72-Y104 AromaticContact CD1-CG 3.93Å; W72-Y104 AromaticContact CD2-CD1 3.67Å; W72-Y104 HydrophobicContact CD2-CD1 3.67Å; W72-Y104 AromaticContact CD2-CD2 3.62Å; W72-Y104 HydrophobicContact CD2-CD2 3.62Å; W72-Y104 AromaticContact CD2-CE1 3.95Å; W72-Y104 HydrophobicContact CD2-CE1 3.95Å; W72-Y104 AromaticContact CD2-CE2 3.9Å; W72-Y104 HydrophobicContact CD2-CE2 3.9Å; W72-Y104 AromaticContact CD2-CG 3.48Å; W72-Y104 HydrophobicContact CD2-CG 3.48Å; W72-Y104 VanDerWaalsContact CD2-CG 3.48Å; W72-Y104 VanDerWaalsContact CE2-CB 3.46Å; W72-Y104 AromaticContact CE2-CD1 3.96Å; W72-Y104 AromaticContact CE2-CD2 3.63Å; W72-Y104 AromaticContact CE2-CG 3.38Å; W72-Y104 AromaticContact CE3-CD1 3.67Å; W72-Y104 HydrophobicContact CE3-CD1 3.67Å; W72-Y104 HydrophobicContact CE3-CD2 4.45Å; W72-Y104 AromaticContact CE3-CE1 3.88Å; W72-Y104 HydrophobicContact CE3-CE1 3.88Å; W72-Y104 AromaticContact CE3-CG 3.98Å; W72-Y104 HydrophobicContact CE3-CG 3.98Å; W72-Y104 HydrophobicContact CG-CD1 4.22Å; W72-Y104 AromaticContact CG-CD2 3.43Å; W72-Y104 HydrophobicContact CG-CD2 3.43Å; W72-Y104 VanDerWaalsContact CG-CD2 3.43Å; W72-Y104 HydrophobicContact CG-CE1 4.19Å; W72-Y104 AromaticContact CG-CE2 3.38Å; W72-Y104 HydrophobicContact CG-CE2 3.38Å; W72-Y104 AromaticContact CG-CG 3.86Å; W72-Y104 HydrophobicContact CG-CG 3.86Å; W72-Y104 AromaticContact CG-CZ 3.79Å; W72-Y104 HydrophobicContact CH2-CD1 4.28Å; W72-Y104 HydrophobicContact CH2-CG 4.29Å; W72-Y104 VanDerWaalsContact CZ2-CB 3.44Å; W72-Y104 HydrophobicContact CZ2-CD1 4.26Å; W72-Y104 HydrophobicContact CZ2-CD2 4.47Å; W72-Y104 AromaticContact CZ2-CG 3.81Å; W72-Y104 HydrophobicContact CZ2-CG 3.81Å; W72-Y104 AromaticContact CZ3-CD1 3.99Å; W72-Y104 HydrophobicContact CZ3-CD1 3.99Å; W72-Y104 HydrophobicContact CZ3-CG 4.35Å; W72-Y104 AromaticContact NE1-CD2 3.4Å; W72-Y104 AromaticContact NE1-CG 3.64Å; E100-Y104 PolarHBondContact O-N 3.38Å; L101-Y104 PolarHBondContact O-N 3.27Å; Y104-L106 VanDerWaalsContact C-N 3.34Å; Y104-L106 PolarHBondContact O-N 3.3Å; Y104-N107 PolarHBondContact O-N 3.12Å; Y104-K108 HydrophobicContact CE1-CD 4.42Å; Y104-K108 PolarHBondContact O-N 3Å
105W88.2Confident79.1Confident89 Ų8976.3 Ų76.334%0.33740%0.399SS..Hα-helixtrans-60.1-42.5179.2178.885.9000112.6L101 Y102 K108 R109L101-W105 PolarHBondContact O-N 3.36Å; Y102-W105 HydrophobicContact CD2-CE3 4.2Å; Y102-W105 AromaticContact CE2-CE3 3.95Å; Y102-W105 HydrophobicContact CE2-CE3 3.95Å; Y102-W105 AromaticContact CE2-CZ3 3.91Å; Y102-W105 HydrophobicContact CE2-CZ3 3.91Å; Y102-W105 PolarHBondContact O-N 2.97Å; W105-K108 PolarHBondContact O-N 2.88Å; W105-R109 VanDerWaalsContact CH2-CD 3.45Å; W105-R109 VanDerWaalsContact CZ2-CD 3.45Å; W105-R109 HydrophobicContact CZ2-CG 4.49Å; W105-R109 WeakPolarHBondContact O-CG 3.19Å; W105-R109 PolarHBondContact O-N 3.19Å; W105-R109 VanDerWaalsContact O-N 3.12Å
106L86.2Confident78.2Confident63 Ų6379 Ų7933%0.3340%0.402SS..Hα-helixtrans-63.8-44.6176.7-173.969.1000111Y102 R103 Y104 K108 R109 V110Y102-L106 HydrophobicContact CE1-CD2 4.37Å; Y102-L106 VanDerWaalsContact O-CB 3.25Å; Y102-L106 WeakPolarHBondContact O-CB 3.19Å; Y102-L106 PolarHBondContact O-N 3.17Å; R103-L106 PolarHBondContact O-N 2.76Å; Y104-L106 VanDerWaalsContact C-N 3.34Å; Y104-L106 PolarHBondContact O-N 3.3Å; L106-K108 VanDerWaalsContact C-N 3.34Å; L106-K108 PolarHBondContact O-N 3.48Å; L106-R109 PolarHBondContact O-N 2.83Å; L106-V110 WeakPolarHBondContact O-CG2 3.07Å; L106-V110 PolarHBondContact O-N 3.39Å
107N87.8Confident77Confident102 Ų10275.1 Ų75.155%0.54538%0.383SS..Hα-helixtrans-62.2-41.9177-74.2-14.7000111.4R103 Y104 R109 V110 A111R103-N107 VanDerWaalsContact O-CB 3.29Å; R103-N107 WeakPolarHBondContact O-CB 3.45Å; R103-N107 PolarHBondContact O-N 2.88Å; R103-N107 PolarHBondContact O-ND2 3.37Å; Y104-N107 PolarHBondContact O-N 3.12Å; N107-R109 VanDerWaalsContact C-N 3.33Å; N107-R109 PolarHBondContact O-N 3.38Å; N107-V110 CarbonylContact O-C 3.45Å; N107-V110 PolarHBondContact O-N 2.86Å; N107-A111 WeakPolarHBondContact O-CB 3.42Å; N107-A111 PolarHBondContact O-N 3.02Å
108K86Confident75.6Confident16 Ų1681.3 Ų81.37%0.0741%0.41CS..Hα-helixtrans-58.8-44.8176.6-168.1172.7-178.9172.90111.5D66 D69 Y104 W105 L106 V110 A111 D112 L124D66-K108 IonicContact OD1-NZ 2.7Å; D66-K108 PolarHBondContact OD1-NZ 3.35Å; D66-K108 IonicContact OD2-NZ 2.63Å; D66-K108 PolarHBondContact OD2-NZ 2.75Å; D69-K108 IonicContact OD1-NZ 3.8Å; D69-K108 PolarHBondContact OD1-NZ 3.47Å; D69-K108 IonicContact OD2-NZ 2.79Å; D69-K108 PolarHBondContact OD2-NZ 3.3Å; Y104-K108 HydrophobicContact CE1-CD 4.42Å; Y104-K108 PolarHBondContact O-N 3Å; W105-K108 PolarHBondContact O-N 2.88Å; L106-K108 VanDerWaalsContact C-N 3.34Å; L106-K108 PolarHBondContact O-N 3.48Å; K108-V110 PolarHBondContact O-N 3.43Å; K108-A111 PolarHBondContact O-N 3.47Å; K108-D112 PolarHBondContact O-N 3.07Å; K108-D112 VanDerWaalsContact O-N 3.09Å; K108-L124 HydrophobicContact CD-CD1 4.3Å; K108-L124 HydrophobicContact CD-CD2 4.42Å; K108-L124 HydrophobicContact CG-CD1 4.46Å; K108-L124 HydrophobicContact CG-CD2 3.95Å
109R79.6Confident74.4Confident70 Ų7085.7 Ų85.726%0.26443%0.431SS..Hα-helixtrans-61.3-28.3174.7-70.3-172.869.8-168.82.4114.4W105 L106 N107 L124W105-R109 VanDerWaalsContact CH2-CD 3.45Å; W105-R109 VanDerWaalsContact CZ2-CD 3.45Å; W105-R109 HydrophobicContact CZ2-CG 4.49Å; W105-R109 WeakPolarHBondContact O-CG 3.19Å; W105-R109 PolarHBondContact O-N 3.19Å; W105-R109 VanDerWaalsContact O-N 3.12Å; L106-R109 PolarHBondContact O-N 2.83Å; N107-R109 VanDerWaalsContact C-N 3.33Å; N107-R109 PolarHBondContact O-N 3.38Å; R109-L124 HydrophobicContact CG-CD1 3.92Å; R109-L124 HydrophobicContact CG-CD2 3.94Å; R109-L124 HydrophobicContact CG-CG 3.94Å
110V78.6Confident73.2Confident95 Ų9587.4 Ų87.458%0.57644%0.44SS*.Hα-helixtrans-86.2-41.8177.6176.40000111.1L106 N107 K108 N113L106-V110 WeakPolarHBondContact O-CG2 3.07Å; L106-V110 PolarHBondContact O-N 3.39Å; N107-V110 CarbonylContact O-C 3.45Å; N107-V110 PolarHBondContact O-N 2.86Å; K108-V110 PolarHBondContact O-N 3.43Å; V110-N113 PolarHBondContact O-N 3.22Å
111A72.9Confident71.9Confident68 Ų6887.5 Ų87.556%0.56245%0.453SS*.Hα-helixtrans-70.5-28-174.300000113.4N107 K108 N113N107-A111 WeakPolarHBondContact O-CB 3.42Å; N107-A111 PolarHBondContact O-N 3.02Å; K108-A111 PolarHBondContact O-N 3.47Å; A111-N113 PolarHBondContact O-N 2.59Å
112D62.8Low70.9Confident91 Ų9189.3 Ų89.349%0.48746%0.462SS..THydrogen-bonded Turntrans-68.829.4169.6-66.3-23.4000112.7K108 C114 L124K108-D112 PolarHBondContact O-N 3.07Å; K108-D112 VanDerWaalsContact O-N 3.09Å; D112-C114 PolarHBondContact O-N 3.43Å; D112-L124 VanDerWaalsContact OD2-CD2 3.31Å; D112-L124 WeakPolarHBondContact OD2-CD2 3.17Å
113N52.8Low70.3Confident159 Ų15985.9 Ų85.985%0.8546%0.455SS*.THydrogen-bonded Turntrans59.240.2163.4-88.3-26.4000116.2V110 A111V110-N113 PolarHBondContact O-N 3.22Å; A111-N113 PolarHBondContact O-N 2.59Å
114C52Low69.9Low21 Ų2180.7 Ų80.714%0.14244%0.438CS..  trans-153.170.9-170.1-150.10000110.6D112 F116 C117 F118D112-C114 PolarHBondContact O-N 3.43Å; C114-F116 PolarHBondContact O-N 3.02Å; C114-F116 VanDerWaalsContact O-N 3.15Å; C114-C117 VanDerWaalsContact C-N 3.34Å; C114-C117 HydrophobicContact CB-CB 3.17Å; C114-C117 WeakPolarHBondContact CB-SG 3.49Å; C114-C117 WeakPolarHBondContact O-CA 3.45Å; C114-C117 VanDerWaalsContact O-CB 3.31Å; C114-C117 WeakPolarHBondContact O-CB 3.48Å; C114-C117 PolarHBondContact O-N 2.7Å; C114-C117 WeakPolarHBondContact SG-CA 3.36Å; C114-C117 WeakPolarHBondContact SG-CB 3.38Å; C114-C117 PolarHBondContact SG-N 3.35Å; C114-C117 CovalentContact SG-SG 2Å; C114-C117 PolarHBondContact SG-SG 2.92Å; C114-F118 PolarHBondContact O-N 2.86Å; C114-F118 VanDerWaalsContact O-N 3.16Å
115S53.6Low69.6Low105 Ų10582.1 Ų82.173%0.73445%0.448SS*.Hα-helixtrans-48.4-31.5150.6-163.90000110.1
116F56Low69.4Low132 Ų13284 Ų8458%0.57947%0.471SS*.Hα-helixtrans-66.1-29168.8-165.8-119.1000114.7C114 L119 L120C114-F116 PolarHBondContact O-N 3.02Å; C114-F116 VanDerWaalsContact O-N 3.15Å; F116-L119 CarbonylContact O-C 3.58Å; F116-L119 WeakPolarHBondContact O-CB 3.02Å; F116-L119 PolarHBondContact O-N 3.46Å; F116-L120 HydrophobicContact CD1-CD1 3.48Å; F116-L120 VanDerWaalsContact CD1-CD1 3.48Å; F116-L120 HydrophobicContact CD1-CG 3.98Å; F116-L120 HydrophobicContact CE1-CD1 3.04Å; F116-L120 HydrophobicContact CE1-CD2 4.47Å; F116-L120 HydrophobicContact CE1-CG 3.76Å; F116-L120 HydrophobicContact CE2-CD1 4.4Å; F116-L120 HydrophobicContact CE2-CG 4.28Å; F116-L120 HydrophobicContact CG-CD1 4.34Å; F116-L120 HydrophobicContact CG-CG 4.37Å; F116-L120 HydrophobicContact CZ-CD1 3.56Å; F116-L120 HydrophobicContact CZ-CD2 4.18Å; F116-L120 HydrophobicContact CZ-CG 3.89Å; F116-L120 WeakPolarHBondContact O-CB 3.33Å; F116-L120 WeakPolarHBondContact O-CG 3.38Å; F116-L120 PolarHBondContact O-N 3.36Å
117C58.8Low69.3Low21 Ų2187.7 Ų87.714%0.14249%0.487CS..Hα-helixtrans-81.5-30-178.7-72.90000111.7C114 L119 L120 G121 I122C114-C117 VanDerWaalsContact C-N 3.34Å; C114-C117 HydrophobicContact CB-CB 3.17Å; C114-C117 WeakPolarHBondContact CB-SG 3.49Å; C114-C117 WeakPolarHBondContact O-CA 3.45Å; C114-C117 VanDerWaalsContact O-CB 3.31Å; C114-C117 WeakPolarHBondContact O-CB 3.48Å; C114-C117 PolarHBondContact O-N 2.7Å; C114-C117 WeakPolarHBondContact SG-CA 3.36Å; C114-C117 WeakPolarHBondContact SG-CB 3.38Å; C114-C117 PolarHBondContact SG-N 3.35Å; C114-C117 CovalentContact SG-SG 2Å; C114-C117 PolarHBondContact SG-SG 2.92Å; C117-L119 PolarHBondContact O-N 3.37Å; C117-L120 PolarHBondContact O-N 2.85Å; C117-G121 WeakPolarHBondContact O-CA 3.31Å; C117-G121 PolarHBondContact O-N 3.3Å; C117-I122 HydrophobicContact CB-CB 3.73Å; C117-I122 HydrophobicContact CB-CD1 4.45Å; C117-I122 HydrophobicContact CB-CG1 4.04Å; C117-I122 PolarHBondContact O-N 3.31Å; C117-I122 VanDerWaalsContact SG-CD1 3.51Å
118F54.4Low69.3Low140 Ų14086.8 Ų86.861%0.61449%0.485SS*.Hα-helixtrans-60.1-39.6166.5-168.3-94.2000110.6C114C114-F118 PolarHBondContact O-N 2.86Å; C114-F118 VanDerWaalsContact O-N 3.16Å
119L57.9Low69.3Low140 Ų14090 Ų9073%0.73350%0.502SS*.Hα-helixtrans-75.2-34.3175.8-70169.2000113.5F116 C117F116-L119 CarbonylContact O-C 3.58Å; F116-L119 WeakPolarHBondContact O-CB 3.02Å; F116-L119 PolarHBondContact O-N 3.46Å; C117-L119 PolarHBondContact O-N 3.37Å
120L61.3Low69.6Low101 Ų10190.4 Ų90.453%0.52951%0.513SS..Hα-helixtrans-89-3.1179.7-73.9-167.4000114.5F116 C117 I122F116-L120 HydrophobicContact CD1-CD1 3.48Å; F116-L120 VanDerWaalsContact CD1-CD1 3.48Å; F116-L120 HydrophobicContact CD1-CG 3.98Å; F116-L120 HydrophobicContact CE1-CD1 3.04Å; F116-L120 HydrophobicContact CE1-CD2 4.47Å; F116-L120 HydrophobicContact CE1-CG 3.76Å; F116-L120 HydrophobicContact CE2-CD1 4.4Å; F116-L120 HydrophobicContact CE2-CG 4.28Å; F116-L120 HydrophobicContact CG-CD1 4.34Å; F116-L120 HydrophobicContact CG-CG 4.37Å; F116-L120 HydrophobicContact CZ-CD1 3.56Å; F116-L120 HydrophobicContact CZ-CD2 4.18Å; F116-L120 HydrophobicContact CZ-CG 3.89Å; F116-L120 WeakPolarHBondContact O-CB 3.33Å; F116-L120 WeakPolarHBondContact O-CG 3.38Å; F116-L120 PolarHBondContact O-N 3.36Å; C117-L120 PolarHBondContact O-N 2.85Å; L120-I122 VanDerWaalsContact C-N 3.27Å; L120-I122 HydrophobicContact CB-CD1 4.37Å; L120-I122 HydrophobicContact CB-CG1 3.92Å; L120-I122 HydrophobicContact CD1-CD1 4.35Å; L120-I122 PolarHBondContact O-N 2.78Å
121G63.5Low69.7Low48 Ų4887.8 Ų87.850%0.49550%0.496SS..THydrogen-bonded Turntrans65.926.4-178.200000114.1C117 T123C117-G121 WeakPolarHBondContact O-CA 3.31Å; C117-G121 PolarHBondContact O-N 3.3Å; G121-T123 PolarHBondContact O-N 3.42Å
122I67Low70Confident89 Ų8990.4 Ų90.446%0.45650%0.5SS..  trans-70.5132.9176.5-47.5-164.3000108.6C117 L120C117-I122 HydrophobicContact CB-CB 3.73Å; C117-I122 HydrophobicContact CB-CD1 4.45Å; C117-I122 HydrophobicContact CB-CG1 4.04Å; C117-I122 PolarHBondContact O-N 3.31Å; C117-I122 VanDerWaalsContact SG-CD1 3.51Å; L120-I122 VanDerWaalsContact C-N 3.27Å; L120-I122 HydrophobicContact CB-CD1 4.37Å; L120-I122 HydrophobicContact CB-CG1 3.92Å; L120-I122 HydrophobicContact CD1-CD1 4.35Å; L120-I122 PolarHBondContact O-N 2.78Å
123T76.4Confident70.4Confident59 Ų5997 Ų9736%0.36252%0.518SS..  trans-91.4157.3-178.750.60000110.3G121 I125 Q127G121-T123 PolarHBondContact O-N 3.42Å; T123-I125 PolarHBondContact O-N 3.22Å; T123-I125 PolarHBondContact OG1-O 3.39Å; T123-Q127 VanDerWaalsContact OG1-CG 3.25Å; T123-Q127 WeakPolarHBondContact OG1-CG 3.16Å; T123-Q127 PolarHBondContact OG1-OE1 2.93Å
124L81.6Confident71.2Confident44 Ų4494.8 Ų94.823%0.2351%0.506CS..SBendtrans-64.2-24.6176.5-68.1172.1000112.2Y63 K108 R109 D112Y63-L124 HydrophobicContact CE2-CB 4.49Å; Y63-L124 HydrophobicContact CE2-CD1 4.07Å; K108-L124 HydrophobicContact CD-CD1 4.3Å; K108-L124 HydrophobicContact CD-CD2 4.42Å; K108-L124 HydrophobicContact CG-CD1 4.46Å; K108-L124 HydrophobicContact CG-CD2 3.95Å; R109-L124 HydrophobicContact CG-CD1 3.92Å; R109-L124 HydrophobicContact CG-CD2 3.94Å; R109-L124 HydrophobicContact CG-CG 3.94Å; D112-L124 VanDerWaalsContact OD2-CD2 3.31Å; D112-L124 WeakPolarHBondContact OD2-CD2 3.17Å
125I84.2Confident72.2Confident71 Ų7198.7 Ų98.736%0.36454%0.54SS..SBendtrans-95.4127.9178-61.1170.5000108D62 Y63 T123 Q127D62-I125 VanDerWaalsContact O-CD1 3.29Å; D62-I125 WeakPolarHBondContact O-CD1 3.38Å; Y63-I125 HydrophobicContact CD2-CD1 4.26Å; T123-I125 PolarHBondContact O-N 3.22Å; T123-I125 PolarHBondContact OG1-O 3.39Å; I125-Q127 PolarHBondContact O-N 3.3Å; I125-Q127 VanDerWaalsContact O-N 3.13Å
126P84.6Confident73.4Confident128 Ų12895.7 Ų95.783%0.83152%0.52SS*.PPolyproline II helixtrans-52.8122177.5-27.634.9000112.1
127Q84.2Confident74.8Confident141 Ų14195.7 Ų95.766%0.65953%0.533SS*.PPolyproline II helixtrans-103.8148.8177.2-78-176.5-27.900111.4T123 I125 L129T123-Q127 VanDerWaalsContact OG1-CG 3.25Å; T123-Q127 WeakPolarHBondContact OG1-CG 3.16Å; T123-Q127 PolarHBondContact OG1-OE1 2.93Å; I125-Q127 PolarHBondContact O-N 3.3Å; I125-Q127 VanDerWaalsContact O-N 3.13Å; Q127-L129 PolarHBondContact O-N 2.98Å
128V87.6Confident76.1Confident84 Ų8499.6 Ų99.651%0.50955%0.55SS.*PPolyproline II helixtrans-66.2126.8172.5179.10000109.1T130 A142 F143V128-T130 PolarHBondContact O-N 3.16Å; V128-T130 VanDerWaalsContact O-N 3.12Å; V128-A142 HydrophobicContact CG1-CB 3.69Å; V128-F143 HydrophobicContact CB-CE2 4.33Å; V128-F143 HydrophobicContact CG1-CD2 3.76Å; V128-F143 HydrophobicContact CG1-CE2 3.74Å; V128-F143 HydrophobicContact CG2-CE2 4.22Å
129L85.5Confident77.8Confident82 Ų8297.6 Ų97.643%0.42956%0.559SS.*  trans-66.5112.2175-177.664.2000109.4Q127 M138 I141 A142Q127-L129 PolarHBondContact O-N 2.98Å; L129-M138 HydrophobicContact CD2-CG 4.08Å; L129-I141 HydrophobicContact CD2-CG1 3.75Å; L129-I141 HydrophobicContact CG-CG1 4.01Å; L129-I141 WeakPolarHBondContact O-CA 3.03Å; L129-A142 PolarHBondContact O-N 2.7Å
130T85.6Confident79.3Confident80 Ų8099.9 Ų99.949%0.49156%0.56SS.*BIsolated β-bridgetrans-95.4161.5179.460.50000111.5V128 N132V128-T130 PolarHBondContact O-N 3.16Å; V128-T130 VanDerWaalsContact O-N 3.12Å; T130-N132 PolarHBondContact O-N 3.22Å
131D81.8Confident80.6Confident39 Ų3996.4 Ų96.421%0.20954%0.541CS..  trans-71.9118.9-178.3-164.7-11000111.7R133 I141 R144D131-R133 PolarHBondContact O-N 3.37Å; D131-R133 WeakPolarHBondContact OD1-CA 2.84Å; D131-R133 PolarHBondContact OD1-N 3.36Å; D131-I141 HydrophobicContact CB-CG2 3.93Å; D131-R144 HydrophobicContact CB-CB 4.29Å; D131-R144 HydrophobicContact CB-CG 3.96Å; D131-R144 IonicContact OD1-NH1 3.65Å; D131-R144 PolarHBondContact OD1-NH1 2.74Å; D131-R144 VanDerWaalsContact OD2-CD 3.3Å; D131-R144 WeakPolarHBondContact OD2-CD 3.26Å; D131-R144 VanDerWaalsContact OD2-CG 3.28Å; D131-R144 WeakPolarHBondContact OD2-CG 3.31Å; D131-R144 IonicContact OD2-CZ 2.64Å; D131-R144 IonicContact OD2-NE 2.8Å; D131-R144 IonicContact OD2-NH1 3.99Å; D131-R144 PolarHBondContact OD2-NH1 3.15Å
132N78.1Confident81.8Confident124 Ų12495.7 Ų95.766%0.66353%0.531SS*.  trans-79.110.6172.9-75-13.1000113.3T130 D134T130-N132 PolarHBondContact O-N 3.22Å; N132-D134 PolarHBondContact O-N 3.06Å
133R72.7Confident82.9Confident228 Ų22899 Ų9986%0.8654%0.542SS*.SBendtrans701.7-172.3-50.9-179.7173.3-174.7-0114.3D131D131-R133 PolarHBondContact O-N 3.37Å; D131-R133 WeakPolarHBondContact OD1-CA 2.84Å; D131-R133 PolarHBondContact OD1-N 3.36Å
134D69.2Low83.3Confident113 Ų113101.4 Ų101.460%0.60455%0.545SS*.SBendtrans-80.3132.8165.9-59.9-39.9000108N132 S136N132-D134 PolarHBondContact O-N 3.06Å; D134-S136 PolarHBondContact O-N 2.74Å
135A71.6Confident83.3Confident103 Ų103110.4 Ų110.485%0.85158%0.575SS**  trans-71.748.9177.300000111.8
136S80.2Confident82.9Confident43 Ų43118.1 Ų118.130%0.30160%0.6SS.*  trans-66.7132.2-179.8174.80000110.2D134 M138 R144D134-S136 PolarHBondContact O-N 2.74Å; S136-M138 PolarHBondContact O-N 3.09Å; S136-M138 PolarHBondContact OG-N 2.67Å; S136-R144 PolarHBondContact O-NH2 3.47Å
137P84.3Confident82.1Confident132 Ų132121.5 Ų121.586%0.85760%0.602SS**  trans-76.96.8178.433.1-36.1000113.3A139P137-A139 PolarHBondContact O-N 3.09Å
138M86.2Confident81.6Confident102 Ų102122.9 Ų122.950%0.50261%0.608SS.*  trans-61124.9-176.5-170.57274.400112.1L129 S136 Y140 I141L129-M138 HydrophobicContact CD2-CG 4.08Å; S136-M138 PolarHBondContact O-N 3.09Å; S136-M138 PolarHBondContact OG-N 2.67Å; M138-Y140 VanDerWaalsContact C-N 3.26Å; M138-Y140 PolarHBondContact O-N 3.47Å; M138-I141 HydrophobicContact CB-CD1 3.8Å; M138-I141 HydrophobicContact CB-CG1 4.01Å; M138-I141 HydrophobicContact CG-CG1 4.48Å; M138-I141 PolarHBondContact O-N 2.77Å
139A89.7Confident81Confident98 Ų98128.4 Ų128.481%0.8163%0.625SS**THydrogen-bonded Turntrans-65.7-25.1-17600000114P137 I141P137-A139 PolarHBondContact O-N 3.09Å; A139-I141 VanDerWaalsContact C-N 3.33Å; A139-I141 PolarHBondContact O-N 3.34Å
140Y89.7Confident80.5Confident189 Ų189132.3 Ų132.374%0.74165%0.645SS**THydrogen-bonded Turntrans-79.7-7.8-179.5-68.1-75.3000114.5M138 A142M138-Y140 VanDerWaalsContact C-N 3.26Å; M138-Y140 PolarHBondContact O-N 3.47Å; Y140-A142 PolarHBondContact O-N 2.97Å
141I89.1Confident80.1Confident27 Ų27132.6 Ų132.614%0.13866%0.655CS.*  trans-72.1114178.4-64.2169.4000109.7L129 D131 M138 A139 R144L129-I141 HydrophobicContact CD2-CG1 3.75Å; L129-I141 HydrophobicContact CG-CG1 4.01Å; L129-I141 WeakPolarHBondContact O-CA 3.03Å; D131-I141 HydrophobicContact CB-CG2 3.93Å; M138-I141 HydrophobicContact CB-CD1 3.8Å; M138-I141 HydrophobicContact CB-CG1 4.01Å; M138-I141 HydrophobicContact CG-CG1 4.48Å; M138-I141 PolarHBondContact O-N 2.77Å; A139-I141 VanDerWaalsContact C-N 3.33Å; A139-I141 PolarHBondContact O-N 3.34Å; I141-R144 HydrophobicContact CG2-CG 4.1Å
142A89Confident80Confident33 Ų33137.1 Ų137.127%0.27369%0.685SS.*BIsolated β-bridgetrans-114.316817800000112.2V128 L129 Y140 R144V128-A142 HydrophobicContact CG1-CB 3.69Å; L129-A142 PolarHBondContact O-N 2.7Å; Y140-A142 PolarHBondContact O-N 2.97Å; A142-R144 VanDerWaalsContact C-N 3.34Å; A142-R144 PolarHBondContact O-N 2.83Å
143F88.7Confident80.3Confident159 Ų159139.7 Ų139.770%0.69769%0.685SS**SBendtrans55.437.9172.9-49.9-62.1000115.7V128 R145V128-F143 HydrophobicContact CB-CE2 4.33Å; V128-F143 HydrophobicContact CG1-CD2 3.76Å; V128-F143 HydrophobicContact CG1-CE2 3.74Å; V128-F143 HydrophobicContact CG2-CE2 4.22Å; F143-R145 PolarHBondContact O-N 3.17Å; F143-R145 VanDerWaalsContact O-N 3.11Å
144R85.9Confident80.7Confident110 Ų110135 Ų13542%0.41567%0.671SS.*  trans-53.8117.7177.6-59.1-167.2174.5-107.86.3111.4D131 S136 I141 A142 R146D131-R144 HydrophobicContact CB-CB 4.29Å; D131-R144 HydrophobicContact CB-CG 3.96Å; D131-R144 IonicContact OD1-NH1 3.65Å; D131-R144 PolarHBondContact OD1-NH1 2.74Å; D131-R144 VanDerWaalsContact OD2-CD 3.3Å; D131-R144 WeakPolarHBondContact OD2-CD 3.26Å; D131-R144 VanDerWaalsContact OD2-CG 3.28Å; D131-R144 WeakPolarHBondContact OD2-CG 3.31Å; D131-R144 IonicContact OD2-CZ 2.64Å; D131-R144 IonicContact OD2-NE 2.8Å; D131-R144 IonicContact OD2-NH1 3.99Å; D131-R144 PolarHBondContact OD2-NH1 3.15Å; S136-R144 PolarHBondContact O-NH2 3.47Å; I141-R144 HydrophobicContact CG2-CG 4.1Å; A142-R144 VanDerWaalsContact C-N 3.34Å; A142-R144 PolarHBondContact O-N 2.83Å; R144-R146 PolarHBondContact O-N 3.42Å
145R80.9Confident81.4Confident233 Ų233137.4 Ų137.488%0.87967%0.672SS**  trans-86.6107.8171.9-67.3-178.5176.8166.8-0.5108.6F143F143-R145 PolarHBondContact O-N 3.17Å; F143-R145 VanDerWaalsContact O-N 3.11Å
146R75.5Confident82Confident233 Ų233141.2 Ų141.288%0.87966%0.664SS**  trans-64.6153.7164.4-63.1-169.9-176110.51108.2R144 E148R144-R146 PolarHBondContact O-N 3.42Å; R146-E148 PolarHBondContact O-N 2.85Å
147K69.4Low82.2Confident199 Ų199145 Ų14587%0.86568%0.675SS**  trans-45.4113.8171.8-73.7-175.9-179.8179.30107.5K149K147-K149 PolarHBondContact O-N 3.35Å
148E72.1Confident82.4Confident170 Ų170141.3 Ų141.379%0.79465%0.65SS**  trans-53.7139.8171-170.5174.5179.700106.4R146 I150R146-E148 PolarHBondContact O-N 2.85Å; E148-I150 PolarHBondContact O-N 2.88Å
149K77Confident82.4Confident200 Ų200138.6 Ų138.687%0.8764%0.636SS**  trans-66.591.8175.7-70.4-176.5-179.6-179.60106.7K147 A151K147-K149 PolarHBondContact O-N 3.35Å; K149-A151 VanDerWaalsContact C-N 3.34Å; K149-A151 PolarHBondContact O-N 3.32Å
150I73.2Confident82.4Confident163 Ų163139.9 Ų139.984%0.83663%0.625SS**  trans-66.8102.7170-58.8175.8000105.1E148E148-I150 PolarHBondContact O-N 2.88Å
151A78.2Confident82.5Confident86 Ų86134.8 Ų134.871%0.71161%0.611SS**PPolyproline II helixtrans-70.5145.7173.700000109.2K149K149-A151 VanDerWaalsContact C-N 3.34Å; K149-A151 PolarHBondContact O-N 3.32Å
152T78.9Confident82.6Confident135 Ų135136.3 Ų136.383%0.82862%0.621SS**PPolyproline II helixtrans-63.4156.9170.450.90000110.7
153R84.2Confident82.7Confident178 Ų178139 Ų13967%0.67264%0.635SS**PPolyproline II helixtrans-48.5138.6177.1-166.7179.9171.4179.5-3.1111.7E159R153-E159 WeakPolarHBondContact CD-OE1 3.15Å; R153-E159 WeakPolarHBondContact CG-OE1 3.38Å; R153-E159 IonicContact CZ-OE1 3.85Å; R153-E159 IonicContact CZ-OE2 3.06Å; R153-E159 IonicContact NE-OE1 2.88Å; R153-E159 PolarHBondContact NE-OE1 3.39Å; R153-E159 IonicContact NE-OE2 2.7Å; R153-E159 PolarHBondContact NE-OE2 2.7Å; R153-E159 IonicContact NH2-OE1 3.28Å; R153-E159 IonicContact NH2-OE2 3.24Å; R153-E159 PolarHBondContact NH2-OE2 3.34Å
154K81.4Confident82.9Confident129 Ų129136.3 Ų136.356%0.56163%0.626SS**PPolyproline II helixtrans-69.5161.9175.5-67.1176.9179173.90110.3T158 E159K154-T158 HydrophobicContact CB-CG2 4.32Å; K154-T158 HydrophobicContact CD-CG2 4.1Å; K154-E159 HydrophobicContact CB-CG 3.9Å
155W83.4Confident83.3Confident164 Ų164139.5 Ų139.562%0.62164%0.638SS**PPolyproline II helixtrans-58.2138.9174.1179.666000111.1K157 T158 E159W155-K157 VanDerWaalsContact C-N 3.3Å; W155-K157 HydrophobicContact CD2-CB 4.27Å; W155-K157 HydrophobicContact CD2-CG 4.3Å; W155-K157 HydrophobicContact CE3-CB 3.65Å; W155-K157 HydrophobicContact CE3-CG 4.06Å; W155-K157 HydrophobicContact CH2-CB 3.78Å; W155-K157 HydrophobicContact CH2-CD 3.19Å; W155-K157 VanDerWaalsContact CH2-CE 3.45Å; W155-K157 HydrophobicContact CH2-CG 3.44Å; W155-K157 VanDerWaalsContact CH2-CG 3.44Å; W155-K157 HydrophobicContact CZ2-CB 4.31Å; W155-K157 HydrophobicContact CZ2-CD 3.66Å; W155-K157 VanDerWaalsContact CZ2-CE 3.48Å; W155-K157 HydrophobicContact CZ2-CG 3.64Å; W155-K157 HydrophobicContact CZ3-CB 3.4Å; W155-K157 HydrophobicContact CZ3-CD 3.74Å; W155-K157 HydrophobicContact CZ3-CG 3.65Å; W155-K157 PolarHBondContact O-N 3.41Å; W155-K157 VanDerWaalsContact O-N 3.12Å; W155-T158 WeakPolarHBondContact O-CA 3.49Å; W155-T158 VanDerWaalsContact O-CB 3.25Å; W155-T158 WeakPolarHBondContact O-CB 3.33Å; W155-T158 PolarHBondContact O-N 3.17Å; W155-E159 PolarHBondContact O-N 3.29Å
156R85.2Confident83.9Confident182 Ų182130 Ų13069%0.68761%0.613SS**Hα-helixtrans-52.1-40.7-169.1-73-173.5179.192.5-2.2114.2E159 Q160R156-E159 PolarHBondContact O-N 3.47Å; R156-Q160 WeakPolarHBondContact O-CG 3.32Å; R156-Q160 PolarHBondContact O-N 2.58Å; R156-Q160 VanDerWaalsContact O-N 3.07Å
157K84Confident84.8Confident123 Ų123125.1 Ų125.154%0.53560%0.602SS.*Hα-helixtrans-70-36.5177.9-45.7-166.7-165.8170.10111.8W155 E159 Q160 D161W155-K157 VanDerWaalsContact C-N 3.3Å; W155-K157 HydrophobicContact CD2-CB 4.27Å; W155-K157 HydrophobicContact CD2-CG 4.3Å; W155-K157 HydrophobicContact CE3-CB 3.65Å; W155-K157 HydrophobicContact CE3-CG 4.06Å; W155-K157 HydrophobicContact CH2-CB 3.78Å; W155-K157 HydrophobicContact CH2-CD 3.19Å; W155-K157 VanDerWaalsContact CH2-CE 3.45Å; W155-K157 HydrophobicContact CH2-CG 3.44Å; W155-K157 VanDerWaalsContact CH2-CG 3.44Å; W155-K157 HydrophobicContact CZ2-CB 4.31Å; W155-K157 HydrophobicContact CZ2-CD 3.66Å; W155-K157 VanDerWaalsContact CZ2-CE 3.48Å; W155-K157 HydrophobicContact CZ2-CG 3.64Å; W155-K157 HydrophobicContact CZ3-CB 3.4Å; W155-K157 HydrophobicContact CZ3-CD 3.74Å; W155-K157 HydrophobicContact CZ3-CG 3.65Å; W155-K157 PolarHBondContact O-N 3.41Å; W155-K157 VanDerWaalsContact O-N 3.12Å; K157-E159 VanDerWaalsContact C-N 3.27Å; K157-E159 PolarHBondContact O-N 2.92Å; K157-Q160 PolarHBondContact O-N 2.58Å; K157-D161 PolarHBondContact O-N 2.69Å
158T88.1Confident86Confident55 Ų55119.4 Ų119.434%0.33758%0.583SS.*Hα-helixtrans-61.1-37.9172.7-52.90000111.4K154 W155 D161 T162K154-T158 HydrophobicContact CB-CG2 4.32Å; K154-T158 HydrophobicContact CD-CG2 4.1Å; W155-T158 WeakPolarHBondContact O-CA 3.49Å; W155-T158 VanDerWaalsContact O-CB 3.25Å; W155-T158 WeakPolarHBondContact O-CB 3.33Å; W155-T158 PolarHBondContact O-N 3.17Å; T158-D161 PolarHBondContact O-N 3.3Å; T158-T162 VanDerWaalsContact O-CG2 3.3Å; T158-T162 WeakPolarHBondContact O-CG2 2.86Å; T158-T162 PolarHBondContact O-N 3.32Å; T158-T162 PolarHBondContact O-OG1 2Å
159E87.7Confident87Confident45 Ų45115 Ų11521%0.2157%0.568CS.*Hα-helixtrans-66.8-44.2175.5-68.7-174.5138.700112.7R153 K154 W155 R156 K157 D161 T162 V163R153-E159 WeakPolarHBondContact CD-OE1 3.15Å; R153-E159 WeakPolarHBondContact CG-OE1 3.38Å; R153-E159 IonicContact CZ-OE1 3.85Å; R153-E159 IonicContact CZ-OE2 3.06Å; R153-E159 IonicContact NE-OE1 2.88Å; R153-E159 PolarHBondContact NE-OE1 3.39Å; R153-E159 IonicContact NE-OE2 2.7Å; R153-E159 PolarHBondContact NE-OE2 2.7Å; R153-E159 IonicContact NH2-OE1 3.28Å; R153-E159 IonicContact NH2-OE2 3.24Å; R153-E159 PolarHBondContact NH2-OE2 3.34Å; K154-E159 HydrophobicContact CB-CG 3.9Å; W155-E159 PolarHBondContact O-N 3.29Å; R156-E159 PolarHBondContact O-N 3.47Å; K157-E159 VanDerWaalsContact C-N 3.27Å; K157-E159 PolarHBondContact O-N 2.92Å; E159-D161 VanDerWaalsContact C-N 3.28Å; E159-D161 PolarHBondContact O-N 2.79Å; E159-T162 WeakPolarHBondContact CA-OG1 3.36Å; E159-T162 PolarHBondContact O-N 3.03Å; E159-T162 VanDerWaalsContact O-N 3.1Å; E159-T162 PolarHBondContact O-OG1 2.84Å; E159-V163 WeakPolarHBondContact O-CG2 3.45Å; E159-V163 PolarHBondContact O-N 3.3Å
160Q88.2Confident87.8Confident124 Ų124107.6 Ų107.658%0.57954%0.544SS*.Hα-helixtrans-56.1-45173.3-71174.8-27.400110.8R156 K157 T162 V163 I164R156-Q160 WeakPolarHBondContact O-CG 3.32Å; R156-Q160 PolarHBondContact O-N 2.58Å; R156-Q160 VanDerWaalsContact O-N 3.07Å; K157-Q160 PolarHBondContact O-N 2.58Å; Q160-T162 PolarHBondContact O-N 3.08Å; Q160-V163 PolarHBondContact O-N 3.14Å; Q160-I164 WeakPolarHBondContact O-CG1 3.42Å; Q160-I164 PolarHBondContact O-N 3.28Å
161D92Very high88.7Confident82 Ų82105.6 Ų105.644%0.43953%0.531SS..Hα-helixtrans-61.2-41.7174.7-68.3-21.6000112.3K157 T158 E159 I164 R165K157-D161 PolarHBondContact O-N 2.69Å; T158-D161 PolarHBondContact O-N 3.3Å; E159-D161 VanDerWaalsContact C-N 3.28Å; E159-D161 PolarHBondContact O-N 2.79Å; D161-I164 PolarHBondContact O-N 3.23Å; D161-R165 WeakPolarHBondContact O-CB 2.88Å; D161-R165 VanDerWaalsContact O-CG 3.28Å; D161-R165 WeakPolarHBondContact O-CG 3.44Å; D161-R165 PolarHBondContact O-N 3.24Å
162T91Very high89.4Confident59 Ų59104.7 Ų104.736%0.36252%0.52SS..Hα-helixtrans-67-35.5177.457.60000112.8T158 E159 Q160 R165 G166T158-T162 VanDerWaalsContact O-CG2 3.3Å; T158-T162 WeakPolarHBondContact O-CG2 2.86Å; T158-T162 PolarHBondContact O-N 3.32Å; T158-T162 PolarHBondContact O-OG1 2Å; E159-T162 WeakPolarHBondContact CA-OG1 3.36Å; E159-T162 PolarHBondContact O-N 3.03Å; E159-T162 VanDerWaalsContact O-N 3.1Å; E159-T162 PolarHBondContact O-OG1 2.84Å; Q160-T162 PolarHBondContact O-N 3.08Å; T162-R165 PolarHBondContact O-N 3.28Å; T162-G166 PolarHBondContact O-N 3.06Å
163V91.3Very high90Very high91 Ų91103.7 Ų103.755%0.55251%0.508SS*.Hα-helixtrans-65.1-47.9175.5170.60000109.9E159 Q160 R165 G166 M167E159-V163 WeakPolarHBondContact O-CG2 3.45Å; E159-V163 PolarHBondContact O-N 3.3Å; Q160-V163 PolarHBondContact O-N 3.14Å; V163-R165 PolarHBondContact O-N 3.48Å; V163-G166 WeakPolarHBondContact O-CA 3.18Å; V163-G166 PolarHBondContact O-N 3.41Å; V163-G166 VanDerWaalsContact O-N 3.14Å; V163-M167 HydrophobicContact CG1-SD 4.41Å; V163-M167 WeakPolarHBondContact O-CG 3.29Å; V163-M167 PolarHBondContact O-N 3.23Å
164I93.1Very high90.2Very high101 Ų101100.1 Ų100.152%0.51850%0.502SS..Hα-helixtrans-59.7-46.8177.2-65.6165.8000110.6Q160 D161 G166 M167 V168Q160-I164 WeakPolarHBondContact O-CG1 3.42Å; Q160-I164 PolarHBondContact O-N 3.28Å; D161-I164 PolarHBondContact O-N 3.23Å; I164-G166 VanDerWaalsContact C-N 3.3Å; I164-G166 PolarHBondContact O-N 2.69Å; I164-M167 PolarHBondContact O-N 3.09Å; I164-V168 WeakPolarHBondContact O-CG2 3.36Å; I164-V168 PolarHBondContact O-N 3.11Å
165R94.4Very high90.6Very high177 Ų17797.7 Ų97.767%0.66850%0.495SS*.Hα-helixtrans-59.6-41.5175.7-72.4176.1-162.6-117.33.5111.7D161 T162 V163 M167 V168 T169D161-R165 WeakPolarHBondContact O-CB 2.88Å; D161-R165 VanDerWaalsContact O-CG 3.28Å; D161-R165 WeakPolarHBondContact O-CG 3.44Å; D161-R165 PolarHBondContact O-N 3.24Å; T162-R165 PolarHBondContact O-N 3.28Å; V163-R165 PolarHBondContact O-N 3.48Å; R165-M167 VanDerWaalsContact C-N 3.33Å; R165-M167 PolarHBondContact O-N 3.23Å; R165-V168 PolarHBondContact O-N 3.2Å; R165-T169 WeakPolarHBondContact O-CG2 3.28Å; R165-T169 PolarHBondContact O-N 3.08Å; R165-T169 PolarHBondContact O-OG1 3.06Å; R165-T169 VanDerWaalsContact O-OG1 3.09Å
166G94Very high90.8Very high33 Ų3392.8 Ų92.834%0.3449%0.489SS..Hα-helixtrans-57.4-43.9175.100000112.6T162 V163 I164 T169 A170T162-G166 PolarHBondContact O-N 3.06Å; V163-G166 WeakPolarHBondContact O-CA 3.18Å; V163-G166 PolarHBondContact O-N 3.41Å; V163-G166 VanDerWaalsContact O-N 3.14Å; I164-G166 VanDerWaalsContact C-N 3.3Å; I164-G166 PolarHBondContact O-N 2.69Å; G166-T169 VanDerWaalsContact CA-OG1 3.31Å; G166-T169 WeakPolarHBondContact CA-OG1 3.44Å; G166-T169 PolarHBondContact O-N 3.23Å; G166-T169 PolarHBondContact O-OG1 3.16Å; G166-A170 WeakPolarHBondContact O-CB 2.72Å; G166-A170 PolarHBondContact O-N 3.09Å
167M93.4Very high90.9Very high132 Ų13287 Ų8765%0.6548%0.476SS*.Hα-helixtrans-64.2-43.2176-64.8175.677.300112.1V163 I164 R165 A170 Q171V163-M167 HydrophobicContact CG1-SD 4.41Å; V163-M167 WeakPolarHBondContact O-CG 3.29Å; V163-M167 PolarHBondContact O-N 3.23Å; I164-M167 PolarHBondContact O-N 3.09Å; R165-M167 VanDerWaalsContact C-N 3.33Å; R165-M167 PolarHBondContact O-N 3.23Å; M167-A170 PolarHBondContact O-N 3.11Å; M167-Q171 WeakPolarHBondContact O-CB 2.95Å; M167-Q171 PolarHBondContact O-N 3.47Å
168V95Very high91Very high78 Ų7885.2 Ų85.247%0.47348%0.476SS..Hα-helixtrans-64.8-40.4176.6175.20000111.4I164 R165 Q171 S172I164-V168 WeakPolarHBondContact O-CG2 3.36Å; I164-V168 PolarHBondContact O-N 3.11Å; R165-V168 PolarHBondContact O-N 3.2Å; V168-Q171 PolarHBondContact O-N 3.24Å; V168-S172 WeakPolarHBondContact O-CB 2.91Å; V168-S172 PolarHBondContact O-N 3.14Å; V168-S172 PolarHBondContact O-OG 2.71Å
169T93.3Very high90.9Very high78 Ų7890.4 Ų90.448%0.47949%0.491SS..Hα-helixtrans-67.2-40.6176.250.50000111.9R165 G166 S172 I173R165-T169 WeakPolarHBondContact O-CG2 3.28Å; R165-T169 PolarHBondContact O-N 3.08Å; R165-T169 PolarHBondContact O-OG1 3.06Å; R165-T169 VanDerWaalsContact O-OG1 3.09Å; G166-T169 VanDerWaalsContact CA-OG1 3.31Å; G166-T169 WeakPolarHBondContact CA-OG1 3.44Å; G166-T169 PolarHBondContact O-N 3.23Å; G166-T169 PolarHBondContact O-OG1 3.16Å; T169-S172 WeakPolarHBondContact O-CB 3.2Å; T169-S172 PolarHBondContact O-N 3.29Å; T169-I173 VanDerWaalsContact O-CG1 3.27Å; T169-I173 WeakPolarHBondContact O-CG1 3.3Å; T169-I173 PolarHBondContact O-N 3.04Å
170A93.5Very high90.5Very high45 Ų4589.7 Ų89.737%0.37250%0.495SS..Hα-helixtrans-61.6-46.9175.600000111G166 M167 S172 I173 D174G166-A170 WeakPolarHBondContact O-CB 2.72Å; G166-A170 PolarHBondContact O-N 3.09Å; M167-A170 PolarHBondContact O-N 3.11Å; A170-S172 VanDerWaalsContact C-N 3.3Å; A170-S172 PolarHBondContact O-N 3.17Å; A170-I173 WeakPolarHBondContact O-CB 3.23Å; A170-I173 PolarHBondContact O-N 3.39Å; A170-I173 VanDerWaalsContact O-N 3.08Å; A170-D174 PolarHBondContact O-N 3.48Å
171Q93.2Very high90Very high121 Ų12187.7 Ų87.757%0.56549%0.488SS*.Hα-helixtrans-59.7-40.8174.7-171.7179.922.200112.1M167 V168 I173 D174 I175M167-Q171 WeakPolarHBondContact O-CB 2.95Å; M167-Q171 PolarHBondContact O-N 3.47Å; V168-Q171 PolarHBondContact O-N 3.24Å; Q171-I173 VanDerWaalsContact C-N 3.32Å; Q171-I173 PolarHBondContact O-N 2.73Å; Q171-D174 PolarHBondContact O-N 3.13Å; Q171-I175 HydrophobicContact CG-CD1 4Å; Q171-I175 WeakPolarHBondContact O-CB 3.04Å; Q171-I175 WeakPolarHBondContact O-CG1 2.9Å; Q171-I175 PolarHBondContact O-N 2.78Å
172S92.5Very high89.4Confident67 Ų6786.8 Ų86.847%0.46949%0.485SS..Hα-helixtrans-63.1-38.1175.5-600000112.1V168 T169 A170 A176V168-S172 WeakPolarHBondContact O-CB 2.91Å; V168-S172 PolarHBondContact O-N 3.14Å; V168-S172 PolarHBondContact O-OG 2.71Å; T169-S172 WeakPolarHBondContact O-CB 3.2Å; T169-S172 PolarHBondContact O-N 3.29Å; A170-S172 VanDerWaalsContact C-N 3.3Å; A170-S172 PolarHBondContact O-N 3.17Å; S172-A176 VanDerWaalsContact O-CB 3.25Å; S172-A176 WeakPolarHBondContact O-CB 3.34Å; S172-A176 PolarHBondContact O-N 2.74Å
173I90.8Very high88.8Confident113 Ų11389.2 Ų89.258%0.57949%0.493SS*.Hα-helixtrans-67.3-43.3175.1-68.9163.2000110.7T169 A170 Q171 I175 A176 S177T169-I173 VanDerWaalsContact O-CG1 3.27Å; T169-I173 WeakPolarHBondContact O-CG1 3.3Å; T169-I173 PolarHBondContact O-N 3.04Å; A170-I173 WeakPolarHBondContact O-CB 3.23Å; A170-I173 PolarHBondContact O-N 3.39Å; A170-I173 VanDerWaalsContact O-N 3.08Å; Q171-I173 VanDerWaalsContact C-N 3.32Å; Q171-I173 PolarHBondContact O-N 2.73Å; I173-I175 PolarHBondContact O-N 2.77Å; I173-A176 PolarHBondContact O-N 2.97Å; I173-S177 VanDerWaalsContact O-CB 3.23Å; I173-S177 WeakPolarHBondContact O-CB 3.32Å; I173-S177 PolarHBondContact O-N 2.84Å
174D89.5Confident88.1Confident103 Ų10390.6 Ų90.655%0.55150%0.497SS*.Hα-helixtrans-63.3-42.9178.3-69.4-24.1000111.7A170 Q171 S177 T178A170-D174 PolarHBondContact O-N 3.48Å; Q171-D174 PolarHBondContact O-N 3.13Å; D174-S177 PolarHBondContact O-N 3.2Å; D174-T178 WeakPolarHBondContact O-CB 3.26Å; D174-T178 PolarHBondContact O-N 3.06Å; D174-T178 PolarHBondContact O-OG1 3.43Å
175I89.4Confident87.4Confident79 Ų7992.3 Ų92.341%0.40550%0.501SS..Hα-helixtrans-62.2-49.7174.7-69.8168.9000109.9Q171 I173 S177 T178 Y179Q171-I175 HydrophobicContact CG-CD1 4Å; Q171-I175 WeakPolarHBondContact O-CB 3.04Å; Q171-I175 WeakPolarHBondContact O-CG1 2.9Å; Q171-I175 PolarHBondContact O-N 2.78Å; I173-I175 PolarHBondContact O-N 2.77Å; I175-S177 VanDerWaalsContact C-N 3.33Å; I175-S177 PolarHBondContact O-N 3.22Å; I175-T178 PolarHBondContact O-N 2.73Å; I175-Y179 HydrophobicContact CG2-CD2 3.52Å; I175-Y179 HydrophobicContact CG2-CE2 3.3Å; I175-Y179 WeakPolarHBondContact O-CD2 3.43Å; I175-Y179 PolarHBondContact O-N 2.9Å
176A87.4Confident86.5Confident61 Ų6188.9 Ų88.950%0.50450%0.496SS..Hα-helixtrans-62.7-38.1178.700000112.4S172 I173 Y179 G180S172-A176 VanDerWaalsContact O-CB 3.25Å; S172-A176 WeakPolarHBondContact O-CB 3.34Å; S172-A176 PolarHBondContact O-N 2.74Å; I173-A176 PolarHBondContact O-N 2.97Å; A176-Y179 PolarHBondContact O-N 3.28Å; A176-G180 WeakPolarHBondContact O-CA 3.22Å; A176-G180 PolarHBondContact O-N 3.34Å
177S87.8Confident85.4Confident60 Ų6090.5 Ų90.542%0.4250%0.499SS..Hα-helixtrans-64.8-45175.2-177.70000110.9I173 D174 I175 Y179 G180 I181I173-S177 VanDerWaalsContact O-CB 3.23Å; I173-S177 WeakPolarHBondContact O-CB 3.32Å; I173-S177 PolarHBondContact O-N 2.84Å; D174-S177 PolarHBondContact O-N 3.2Å; I175-S177 VanDerWaalsContact C-N 3.33Å; I175-S177 PolarHBondContact O-N 3.22Å; S177-Y179 PolarHBondContact O-N 3.13Å; S177-G180 PolarHBondContact O-N 3.34Å; S177-I181 WeakPolarHBondContact O-CB 3.29Å; S177-I181 WeakPolarHBondContact O-CG1 3.21Å; S177-I181 PolarHBondContact O-N 3.23Å
178T86.2Confident84.4Confident86 Ų8687.1 Ų87.153%0.52849%0.488SS..Hα-helixtrans-61.7-47.3176.1-54.50000111.2D174 I175 G180 I181 V182D174-T178 WeakPolarHBondContact O-CB 3.26Å; D174-T178 PolarHBondContact O-N 3.06Å; D174-T178 PolarHBondContact O-OG1 3.43Å; I175-T178 PolarHBondContact O-N 2.73Å; T178-G180 VanDerWaalsContact C-N 3.35Å; T178-G180 PolarHBondContact O-N 2.76Å; T178-I181 PolarHBondContact O-N 3.34Å; T178-V182 WeakPolarHBondContact O-CB 3.25Å; T178-V182 WeakPolarHBondContact O-CG2 2.99Å; T178-V182 PolarHBondContact O-N 3.42Å
179Y84.6Confident82.9Confident163 Ų16386.7 Ų86.764%0.63949%0.488SS*.Hα-helixtrans-63.4-39.6174.6-76.7-62000112.3I175 A176 S177 V182 M183I175-Y179 HydrophobicContact CG2-CD2 3.52Å; I175-Y179 HydrophobicContact CG2-CE2 3.3Å; I175-Y179 WeakPolarHBondContact O-CD2 3.43Å; I175-Y179 PolarHBondContact O-N 2.9Å; A176-Y179 PolarHBondContact O-N 3.28Å; S177-Y179 PolarHBondContact O-N 3.13Å; Y179-V182 PolarHBondContact O-N 2.95Å; Y179-M183 VanDerWaalsContact O-CB 3.24Å; Y179-M183 WeakPolarHBondContact O-CB 3.29Å; Y179-M183 WeakPolarHBondContact O-CG 3.2Å; Y179-M183 PolarHBondContact O-N 3.09Å
180G79.6Confident81.4Confident30 Ų3092.6 Ų92.631%0.30950%0.501SS..Hα-helixtrans-63.4-46.8177.100000112A176 S177 T178 M183 L184A176-G180 WeakPolarHBondContact O-CA 3.22Å; A176-G180 PolarHBondContact O-N 3.34Å; S177-G180 PolarHBondContact O-N 3.34Å; T178-G180 VanDerWaalsContact C-N 3.35Å; T178-G180 PolarHBondContact O-N 2.76Å; G180-M183 PolarHBondContact O-N 2.79Å; G180-L184 VanDerWaalsContact O-CB 3.32Å; G180-L184 WeakPolarHBondContact O-CB 3.41Å; G180-L184 VanDerWaalsContact O-CG 3.29Å; G180-L184 WeakPolarHBondContact O-CG 3.34Å; G180-L184 PolarHBondContact O-N 2.76Å
181I79Confident79.5Confident83 Ų8393.8 Ų93.843%0.42651%0.507SS..Hα-helixtrans-59.8-49.8173.8-71.3166.3000109.7S177 T178 M183 L184 F185S177-I181 WeakPolarHBondContact O-CB 3.29Å; S177-I181 WeakPolarHBondContact O-CG1 3.21Å; S177-I181 PolarHBondContact O-N 3.23Å; T178-I181 PolarHBondContact O-N 3.34Å; I181-M183 PolarHBondContact O-N 3.4Å; I181-L184 PolarHBondContact O-N 3.02Å; I181-F185 HydrophobicContact CG2-CD2 3.48Å; I181-F185 VanDerWaalsContact CG2-CD2 3.48Å; I181-F185 HydrophobicContact CG2-CE2 3.56Å; I181-F185 WeakPolarHBondContact O-CB 3.32Å; I181-F185 VanDerWaalsContact O-CD2 3.23Å; I181-F185 WeakPolarHBondContact O-CD2 3.29Å; I181-F185 PolarHBondContact O-N 3.09Å
182V79.4Confident77.4Confident62 Ų6291 Ų9138%0.37650%0.501SS..Hα-helixtrans-61.5-42.8178.2171.30000111.2T178 Y179 F185 L186T178-V182 WeakPolarHBondContact O-CB 3.25Å; T178-V182 WeakPolarHBondContact O-CG2 2.99Å; T178-V182 PolarHBondContact O-N 3.42Å; Y179-V182 PolarHBondContact O-N 2.95Å; V182-F185 PolarHBondContact O-N 3.47Å; V182-L186 HydrophobicContact CG1-CD1 3.78Å; V182-L186 HydrophobicContact CG1-CG 4.2Å; V182-L186 WeakPolarHBondContact O-CB 3.43Å; V182-L186 WeakPolarHBondContact O-CG 3.4Å; V182-L186 PolarHBondContact O-N 3.28Å
183M78.3Confident75.2Confident110 Ų11090.9 Ų90.954%0.54250%0.499SS..Hα-helixtrans-66.8-39.6177.4-75.7-63.5-68.600111.8Y179 G180 I181 L186 T187Y179-M183 VanDerWaalsContact O-CB 3.24Å; Y179-M183 WeakPolarHBondContact O-CB 3.29Å; Y179-M183 WeakPolarHBondContact O-CG 3.2Å; Y179-M183 PolarHBondContact O-N 3.09Å; G180-M183 PolarHBondContact O-N 2.79Å; I181-M183 PolarHBondContact O-N 3.4Å; M183-L186 PolarHBondContact O-N 3.34Å; M183-T187 VanDerWaalsContact O-CB 3.29Å; M183-T187 WeakPolarHBondContact O-CB 3.22Å; M183-T187 VanDerWaalsContact O-CG2 3.25Å; M183-T187 WeakPolarHBondContact O-CG2 3.49Å; M183-T187 PolarHBondContact O-N 3.47Å; M183-T187 PolarHBondContact O-OG1 2.89Å
184L76.9Confident73.3Confident120 Ų12093.6 Ų93.663%0.62850%0.504SS*.Hα-helixtrans-65.2-42.5172.8-76.4169.8000111G180 I181 T187 S188G180-L184 VanDerWaalsContact O-CB 3.32Å; G180-L184 WeakPolarHBondContact O-CB 3.41Å; G180-L184 VanDerWaalsContact O-CG 3.29Å; G180-L184 WeakPolarHBondContact O-CG 3.34Å; G180-L184 PolarHBondContact O-N 2.76Å; I181-L184 PolarHBondContact O-N 3.02Å; L184-T187 WeakPolarHBondContact CA-OG1 3.33Å; L184-T187 PolarHBondContact O-OG1 2.67Å; L184-S188 WeakPolarHBondContact O-CA 3.41Å; L184-S188 WeakPolarHBondContact O-CB 3.2Å; L184-S188 PolarHBondContact O-N 2.81Å
185F76.8Confident71.5Confident137 Ų13790.6 Ų90.660%0.60149%0.49SS*.Hα-helixtrans-64.3-41.1173.4-89.9-72.6000111.8I181 V182 C189I181-F185 HydrophobicContact CG2-CD2 3.48Å; I181-F185 VanDerWaalsContact CG2-CD2 3.48Å; I181-F185 HydrophobicContact CG2-CE2 3.56Å; I181-F185 WeakPolarHBondContact O-CB 3.32Å; I181-F185 VanDerWaalsContact O-CD2 3.23Å; I181-F185 WeakPolarHBondContact O-CD2 3.29Å; I181-F185 PolarHBondContact O-N 3.09Å; V182-F185 PolarHBondContact O-N 3.47Å; F185-C189 WeakPolarHBondContact O-CA 3.25Å; F185-C189 WeakPolarHBondContact O-CB 3.24Å; F185-C189 PolarHBondContact O-N 3.11Å; F185-C189 PolarHBondContact O-SG 3.28Å
186L76Confident70.1Confident106 Ų10691.9 Ų91.956%0.55550%0.497SS*.Hα-helixtrans-71-41.7178.7-72.8173.5000112V182 M183 C189 R190V182-L186 HydrophobicContact CG1-CD1 3.78Å; V182-L186 HydrophobicContact CG1-CG 4.2Å; V182-L186 WeakPolarHBondContact O-CB 3.43Å; V182-L186 WeakPolarHBondContact O-CG 3.4Å; V182-L186 PolarHBondContact O-N 3.28Å; M183-L186 PolarHBondContact O-N 3.34Å; L186-C189 CarbonylContact O-C 3.6Å; L186-R190 VanDerWaalsContact O-CB 3.26Å; L186-R190 WeakPolarHBondContact O-CB 3.23Å; L186-R190 PolarHBondContact O-N 2.79Å
187T71.7Confident68.9Low67 Ų6793.8 Ų93.841%0.41150%0.499SS..Hα-helixtrans-73.4-38.8177.353.40000112M183 L184 R190 S191M183-T187 VanDerWaalsContact O-CB 3.29Å; M183-T187 WeakPolarHBondContact O-CB 3.22Å; M183-T187 VanDerWaalsContact O-CG2 3.25Å; M183-T187 WeakPolarHBondContact O-CG2 3.49Å; M183-T187 PolarHBondContact O-N 3.47Å; M183-T187 PolarHBondContact O-OG1 2.89Å; L184-T187 WeakPolarHBondContact CA-OG1 3.33Å; L184-T187 PolarHBondContact O-OG1 2.67Å; T187-R190 CarbonylContact O-C 3.57Å; T187-R190 PolarHBondContact O-N 3.47Å; T187-S191 WeakPolarHBondContact O-CB 3.43Å; T187-S191 PolarHBondContact O-N 2.88Å; T187-S191 PolarHBondContact O-OG 3Å
188S70.9Confident67.8Low61 Ų6193.8 Ų93.843%0.42749%0.494SS..Hα-helixtrans-62.7-52.2168.6-176.60000109.1L184 R190 S191 S192L184-S188 WeakPolarHBondContact O-CA 3.41Å; L184-S188 WeakPolarHBondContact O-CB 3.2Å; L184-S188 PolarHBondContact O-N 2.81Å; S188-R190 PolarHBondContact O-N 3.49Å; S188-R190 VanDerWaalsContact O-N 3.13Å; S188-S191 CarbonylContact O-C 3.59Å; S188-S191 PolarHBondContact O-N 2.77Å; S188-S192 WeakPolarHBondContact O-CA 3.41Å; S188-S192 WeakPolarHBondContact O-CB 3.43Å; S188-S192 PolarHBondContact O-N 3.22Å
189C64.6Low66.8Low68 Ų6896.3 Ų96.346%0.45949%0.494SS..Hα-helixtrans-58.9-27.3172.3-74.80000112.6F185 L186 C193F185-C189 WeakPolarHBondContact O-CA 3.25Å; F185-C189 WeakPolarHBondContact O-CB 3.24Å; F185-C189 PolarHBondContact O-N 3.11Å; F185-C189 PolarHBondContact O-SG 3.28Å; L186-C189 CarbonylContact O-C 3.6Å; C189-C193 VanDerWaalsContact O-CA 3.28Å; C189-C193 WeakPolarHBondContact O-CA 3.45Å; C189-C193 WeakPolarHBondContact O-CB 3.21Å; C189-C193 PolarHBondContact O-N 2.77Å; C189-C193 PolarHBondContact O-SG 2.76Å
190R60.5Low66.3Low202 Ų20292.2 Ų92.276%0.76249%0.485SS*.Hα-helixtrans-77.2-31173.6-161.6172.3-177.8150.30.8112.7L186 T187 S188L186-R190 VanDerWaalsContact O-CB 3.26Å; L186-R190 WeakPolarHBondContact O-CB 3.23Å; L186-R190 PolarHBondContact O-N 2.79Å; T187-R190 CarbonylContact O-C 3.57Å; T187-R190 PolarHBondContact O-N 3.47Å; S188-R190 PolarHBondContact O-N 3.49Å; S188-R190 VanDerWaalsContact O-N 3.13Å
191S53.6Low66.1Low70 Ų7097.1 Ų97.149%0.4950%0.498SS..Hα-helixtrans-90.1-24.6178.7-50.90000113.3T187 S188T187-S191 WeakPolarHBondContact O-CB 3.43Å; T187-S191 PolarHBondContact O-N 2.88Å; T187-S191 PolarHBondContact O-OG 3Å; S188-S191 CarbonylContact O-C 3.59Å; S188-S191 PolarHBondContact O-N 2.77Å
192S50.5Low65.8Low63 Ų6396.2 Ų96.244%0.44150%0.498SS..Hα-helixtrans-118.7-10.1-169.9-1590000112S188 Y194S188-S192 WeakPolarHBondContact O-CA 3.41Å; S188-S192 WeakPolarHBondContact O-CB 3.43Å; S188-S192 PolarHBondContact O-N 3.22Å; S192-Y194 WeakPolarHBondContact O-CD2 3.3Å; S192-Y194 WeakPolarHBondContact O-CE2 3.28Å; S192-Y194 PolarHBondContact O-N 3.5Å
193C46.2Very low65.7Low64 Ų6496 Ų9643%0.43250%0.503SS..SBendtrans-57.191.6139-85.70000103.3C189 C195C189-C193 VanDerWaalsContact O-CA 3.28Å; C189-C193 WeakPolarHBondContact O-CA 3.45Å; C189-C193 WeakPolarHBondContact O-CB 3.21Å; C189-C193 PolarHBondContact O-N 2.77Å; C189-C193 PolarHBondContact O-SG 2.76Å; C193-C195 HydrophobicContact CB-CB 4.21Å; C193-C195 WeakPolarHBondContact O-CA 3.13Å; C193-C195 WeakPolarHBondContact O-CB 3.43Å; C193-C195 PolarHBondContact O-N 3.49Å
194Y50.7Low65.8Low171 Ų17195.7 Ų95.767%0.67150%0.504SS*.THydrogen-bonded Turntrans0.132.8130.7-62.1-78.1000116.5S192 D198S192-Y194 WeakPolarHBondContact O-CD2 3.3Å; S192-Y194 WeakPolarHBondContact O-CE2 3.28Å; S192-Y194 PolarHBondContact O-N 3.5Å; Y194-D198 VanDerWaalsContact C-CB 3.45Å; Y194-D198 WeakPolarHBondContact CB-OD2 3.48Å; Y194-D198 WeakPolarHBondContact CD1-OD2 3.42Å; Y194-D198 WeakPolarHBondContact O-CB 3.25Å
195C51.1Low65.8Low40 Ų4094.1 Ų94.127%0.2750%0.496SS..THydrogen-bonded Turntrans-129.1-37.4-171.1-72.50000109C193 R199C193-C195 HydrophobicContact CB-CB 4.21Å; C193-C195 WeakPolarHBondContact O-CA 3.13Å; C193-C195 WeakPolarHBondContact O-CB 3.43Å; C193-C195 PolarHBondContact O-N 3.49Å; C195-R199 WeakPolarHBondContact O-CB 3.48Å; C195-R199 WeakPolarHBondContact O-CD 3.31Å; C195-R199 WeakPolarHBondContact O-CG 3.37Å; C195-R199 PolarHBondContact O-NE 3.23Å
196I61.4Low65.8Low106 Ų10688.6 Ų88.654%0.54447%0.473SS..SBendtrans-94.1-61.9172.8-60.1177.4000110.3D198 R199 V200I196-D198 VanDerWaalsContact C-N 3.31Å; I196-D198 PolarHBondContact O-N 3.37Å; I196-R199 PolarHBondContact O-N 3.41Å; I196-R199 VanDerWaalsContact O-N 3.09Å; I196-V200 WeakPolarHBondContact O-CG2 3.46Å; I196-V200 PolarHBondContact O-N 3.21Å
197N61.6Low65.9Low101 Ų10185.7 Ų85.754%0.5447%0.465SS..Hα-helixtrans-60.3-40.2-179.9-82.4-26.8000112.6V200 K201N197-V200 PolarHBondContact O-N 2.97Å; N197-K201 WeakPolarHBondContact O-CG 3.43Å; N197-K201 PolarHBondContact O-N 3.27Å
198D64.9Low66.3Low59 Ų5991 Ų9132%0.31648%0.478SS..Hα-helixtrans-72.9-31.4174.5-88.619.3000113.4Y194 I196 V200 K201 C202Y194-D198 VanDerWaalsContact C-CB 3.45Å; Y194-D198 WeakPolarHBondContact CB-OD2 3.48Å; Y194-D198 WeakPolarHBondContact CD1-OD2 3.42Å; Y194-D198 WeakPolarHBondContact O-CB 3.25Å; I196-D198 VanDerWaalsContact C-N 3.31Å; I196-D198 PolarHBondContact O-N 3.37Å; D198-V200 VanDerWaalsContact C-N 3.32Å; D198-K201 PolarHBondContact O-N 3.38Å; D198-C202 WeakPolarHBondContact O-CB 3.35Å; D198-C202 PolarHBondContact O-N 3.12Å
199R65.7Low66.5Low140 Ų14091.7 Ų91.753%0.52847%0.473SS..Hα-helixtrans-63.8-42169.3-86.8177.7-158.9-173.5-0.7110.3C195 I196 C202 A203C195-R199 WeakPolarHBondContact O-CB 3.48Å; C195-R199 WeakPolarHBondContact O-CD 3.31Å; C195-R199 WeakPolarHBondContact O-CG 3.37Å; C195-R199 PolarHBondContact O-NE 3.23Å; I196-R199 PolarHBondContact O-N 3.41Å; I196-R199 VanDerWaalsContact O-N 3.09Å; R199-C202 PolarHBondContact O-N 3.34Å; R199-A203 WeakPolarHBondContact O-CB 3.4Å; R199-A203 PolarHBondContact O-N 3.35Å
200V73.9Confident66.9Low76 Ų7694.9 Ų94.946%0.46148%0.475SS..Hα-helixtrans-63.9-46.5176.5174.40000110.5I196 N197 D198 A203 N204I196-V200 WeakPolarHBondContact O-CG2 3.46Å; I196-V200 PolarHBondContact O-N 3.21Å; N197-V200 PolarHBondContact O-N 2.97Å; D198-V200 VanDerWaalsContact C-N 3.32Å; V200-A203 PolarHBondContact O-N 3.49Å; V200-N204 WeakPolarHBondContact O-CB 3.27Å; V200-N204 PolarHBondContact O-N 3.03Å; V200-N204 PolarHBondContact O-ND2 3.29Å
201K75.4Confident67.5Low134 Ų13490.5 Ų90.558%0.58347%0.466SS*.Hα-helixtrans-59.8-48174.5-73.2177-177.8178.10111.9N197 D198 N204 D205N197-K201 WeakPolarHBondContact O-CG 3.43Å; N197-K201 PolarHBondContact O-N 3.27Å; D198-K201 PolarHBondContact O-N 3.38Å; K201-N204 PolarHBondContact O-N 3.08Å; K201-D205 WeakPolarHBondContact O-CB 3.49Å; K201-D205 PolarHBondContact O-N 3.48Å
202C72.9Confident68.6Low63 Ų6391.4 Ų91.443%0.42647%0.465SS..Hα-helixtrans-64.2-41.9178.9-1750000111.9D198 R199 D205 V206D198-C202 WeakPolarHBondContact O-CB 3.35Å; D198-C202 PolarHBondContact O-N 3.12Å; R199-C202 PolarHBondContact O-N 3.34Å; C202-D205 PolarHBondContact O-N 2.98Å; C202-V206 WeakPolarHBondContact O-CB 3.46Å; C202-V206 VanDerWaalsContact O-CG2 3.27Å; C202-V206 WeakPolarHBondContact O-CG2 3.45Å; C202-V206 PolarHBondContact O-N 2.75Å
203A76.8Confident69.3Low59 Ų5989.3 Ų89.349%0.48845%0.45SS..Hα-helixtrans-62.3-44.3175.200000111.4R199 V200 V206 A207R199-A203 WeakPolarHBondContact O-CB 3.4Å; R199-A203 PolarHBondContact O-N 3.35Å; V200-A203 PolarHBondContact O-N 3.49Å; A203-V206 PolarHBondContact O-N 3.29Å; A203-A207 WeakPolarHBondContact O-CB 3.43Å; A203-A207 PolarHBondContact O-N 2.92Å
204N78.9Confident70.2Confident103 Ų10388.9 Ų88.955%0.55145%0.448SS*.Hα-helixtrans-61.7-42.8173.9-80.5-29.5000112V200 K201 A207 R208V200-N204 WeakPolarHBondContact O-CB 3.27Å; V200-N204 PolarHBondContact O-N 3.03Å; V200-N204 PolarHBondContact O-ND2 3.29Å; K201-N204 PolarHBondContact O-N 3.08Å; N204-A207 PolarHBondContact O-N 3.35Å; N204-R208 WeakPolarHBondContact O-CB 3.46Å; N204-R208 PolarHBondContact O-N 2.89Å
205D78.3Confident70.9Confident86 Ų8687.5 Ų87.546%0.4645%0.445SS..Hα-helixtrans-64.5-42176.2-84.2-10.2000112.5K201 C202 R208 K209K201-D205 WeakPolarHBondContact O-CB 3.49Å; K201-D205 PolarHBondContact O-N 3.48Å; C202-D205 PolarHBondContact O-N 2.98Å; D205-R208 PolarHBondContact O-N 3.43Å; D205-K209 WeakPolarHBondContact O-CB 3.43Å; D205-K209 VanDerWaalsContact O-CG 3.3Å; D205-K209 WeakPolarHBondContact O-CG 2.86Å; D205-K209 PolarHBondContact O-N 3.35Å
206V76.5Confident71.3Confident21 Ų2188 Ų8813%0.12745%0.445CS..Hα-helixtrans-64.4-44.2175.7169.70000110.3C202 A203 K209 R210 C248C202-V206 WeakPolarHBondContact O-CB 3.46Å; C202-V206 VanDerWaalsContact O-CG2 3.27Å; C202-V206 WeakPolarHBondContact O-CG2 3.45Å; C202-V206 PolarHBondContact O-N 2.75Å; A203-V206 PolarHBondContact O-N 3.29Å; V206-K209 PolarHBondContact O-N 2.9Å; V206-R210 HydrophobicContact CG1-CG 4.46Å; V206-R210 WeakPolarHBondContact O-CB 3.42Å; V206-R210 VanDerWaalsContact O-CG 3.32Å; V206-R210 WeakPolarHBondContact O-CG 3.29Å; V206-R210 PolarHBondContact O-N 3.29Å; V206-C248 HydrophobicContact CG2-CB 3.88Å
207A78.9Confident71.2Confident46 Ų4687.2 Ų87.238%0.3844%0.441SS..Hα-helixtrans-60.8-44.8175.800000111.5A203 N204 K209 R210 L211A203-A207 WeakPolarHBondContact O-CB 3.43Å; A203-A207 PolarHBondContact O-N 2.92Å; N204-A207 PolarHBondContact O-N 3.35Å; A207-K209 PolarHBondContact O-N 3.25Å; A207-R210 PolarHBondContact O-N 2.71Å; A207-L211 PolarHBondContact O-N 3.44Å
208R79Confident70.9Confident179 Ų17990 Ų9068%0.67544%0.444SS*.Hα-helixtrans-61.9-44.1176.4-168.2177.5-175.4177.92.5112N204 D205 L211 L212N204-R208 WeakPolarHBondContact O-CB 3.46Å; N204-R208 PolarHBondContact O-N 2.89Å; D205-R208 PolarHBondContact O-N 3.43Å; R208-L211 PolarHBondContact O-N 2.93Å; R208-L212 WeakPolarHBondContact O-CG 3.33Å; R208-L212 PolarHBondContact O-N 2.8Å
209K75.3Confident70.5Confident75 Ų7590.7 Ų90.733%0.32645%0.451SS..Hα-helixtrans-65-38.7175.9-74173.7-175.9171.70112.1D205 V206 A207 L212 C213 L241D205-K209 WeakPolarHBondContact O-CB 3.43Å; D205-K209 VanDerWaalsContact O-CG 3.3Å; D205-K209 WeakPolarHBondContact O-CG 2.86Å; D205-K209 PolarHBondContact O-N 3.35Å; V206-K209 PolarHBondContact O-N 2.9Å; A207-K209 PolarHBondContact O-N 3.25Å; K209-L212 PolarHBondContact O-N 3.11Å; K209-C213 PolarHBondContact O-N 2.83Å; K209-L241 HydrophobicContact CB-CD2 4.37Å; K209-L241 HydrophobicContact CG-CD2 4.46Å
210R72.6Confident69.9Low135 Ų13585.7 Ų85.751%0.50944%0.435SS..Hα-helixtrans-62.9-43.1174.4-76.4177.2178.5-1790.1112V206 A207 C213 S214V206-R210 HydrophobicContact CG1-CG 4.46Å; V206-R210 WeakPolarHBondContact O-CB 3.42Å; V206-R210 VanDerWaalsContact O-CG 3.32Å; V206-R210 WeakPolarHBondContact O-CG 3.29Å; V206-R210 PolarHBondContact O-N 3.29Å; A207-R210 PolarHBondContact O-N 2.71Å; R210-C213 PolarHBondContact O-N 3.23Å; R210-S214 PolarHBondContact O-N 3.5Å; R210-S214 PolarHBondContact O-OG 3.33Å
211L74Confident69.1Low109 Ų10987.4 Ų87.457%0.57144%0.437SS*.Hα-helixtrans-62.5-40174.2-92.2155.2000113A207 R208 S214 K215A207-L211 PolarHBondContact O-N 3.44Å; R208-L211 PolarHBondContact O-N 2.93Å; L211-S214 PolarHBondContact O-OG 3.28Å; L211-K215 WeakPolarHBondContact O-CG 3.47Å; L211-K215 PolarHBondContact O-N 3.2Å; L211-K215 VanDerWaalsContact O-N 3.07Å
212L76Confident67.8Low89 Ų8988.4 Ų88.447%0.46644%0.438SS..Hα-helixtrans-67-41.8174.9-73168.3000111.6R208 K209 K215 L216R208-L212 WeakPolarHBondContact O-CG 3.33Å; R208-L212 PolarHBondContact O-N 2.8Å; K209-L212 PolarHBondContact O-N 3.11Å; L212-K215 PolarHBondContact O-N 2.96Å; L212-L216 WeakPolarHBondContact O-CB 3.28Å; L212-L216 WeakPolarHBondContact O-CG 3.49Å; L212-L216 PolarHBondContact O-N 3.39Å
213C66.4Low66.8Low19 Ų1990.1 Ų90.113%0.12844%0.439CS..Hα-helixtrans-62.8-43.2174.1-80.60000112.4K209 R210 L216 I217K209-C213 PolarHBondContact O-N 2.83Å; R210-C213 PolarHBondContact O-N 3.23Å; C213-L216 PolarHBondContact O-N 2.89Å; C213-I217 VanDerWaalsContact O-CG1 3.26Å; C213-I217 WeakPolarHBondContact O-CG1 3.32Å; C213-I217 PolarHBondContact O-N 3.5Å
214S64.6Low65.7Low56 Ų5694 Ų9439%0.39245%0.447SS..Hα-helixtrans-64.5-40.6178.165.40000111.8R210 L211 I217 W218R210-S214 PolarHBondContact O-N 3.5Å; R210-S214 PolarHBondContact O-OG 3.33Å; L211-S214 PolarHBondContact O-OG 3.28Å; S214-I217 PolarHBondContact O-N 3.09Å; S214-W218 WeakPolarHBondContact O-CB 3.35Å; S214-W218 PolarHBondContact O-N 3.23Å
215K65.2Low64.6Low141 Ų14196.4 Ų96.461%0.61346%0.456SS*.Hα-helixtrans-58.9-45.9170.5-78.1-178.5176.1-175.20112L211 L212 W218 T219L211-K215 WeakPolarHBondContact O-CG 3.47Å; L211-K215 PolarHBondContact O-N 3.2Å; L211-K215 VanDerWaalsContact O-N 3.07Å; L212-K215 PolarHBondContact O-N 2.96Å; K215-W218 PolarHBondContact O-N 3.37Å; K215-T219 WeakPolarHBondContact O-CG2 3.3Å; K215-T219 PolarHBondContact O-N 3.12Å; K215-T219 PolarHBondContact O-OG1 2.93Å
216L59.4Low63Low52 Ų5298.6 Ų98.627%0.27246%0.457SS..Hα-helixtrans-64.3-41.8178.6-79.3162.5000112.5L212 C213 T219 N220 V237 L241L212-L216 WeakPolarHBondContact O-CB 3.28Å; L212-L216 WeakPolarHBondContact O-CG 3.49Å; L212-L216 PolarHBondContact O-N 3.39Å; C213-L216 PolarHBondContact O-N 2.89Å; L216-T219 VanDerWaalsContact CA-OG1 3.3Å; L216-T219 WeakPolarHBondContact CA-OG1 3.35Å; L216-T219 PolarHBondContact O-N 2.78Å; L216-T219 PolarHBondContact O-OG1 3.48Å; L216-N220 WeakPolarHBondContact O-CB 3.49Å; L216-N220 PolarHBondContact O-N 2.87Å; L216-N220 PolarHBondContact O-ND2 2.98Å; L216-V237 HydrophobicContact CD1-CG1 4.46Å; L216-L241 HydrophobicContact CD1-CD1 4.08Å
217I59.4Low61.6Low89 Ų89102 Ų10246%0.45648%0.48SS..Hα-helixtrans-63.8-45.3176.9-67.8164.5000110.1C213 S214 N220 Q221C213-I217 VanDerWaalsContact O-CG1 3.26Å; C213-I217 WeakPolarHBondContact O-CG1 3.32Å; C213-I217 PolarHBondContact O-N 3.5Å; S214-I217 PolarHBondContact O-N 3.09Å; I217-N220 PolarHBondContact O-N 3.46Å; I217-Q221 PolarHBondContact O-N 2.9Å
218W54Low60.5Low159 Ų159104.8 Ų104.860%0.60250%0.496SS*.Hα-helixtrans-55.9-53.2172.7-104.972.2000110.8S214 K215 N220 Q221 W222S214-W218 WeakPolarHBondContact O-CB 3.35Å; S214-W218 PolarHBondContact O-N 3.23Å; K215-W218 PolarHBondContact O-N 3.37Å; W218-N220 VanDerWaalsContact C-N 3.28Å; W218-N220 PolarHBondContact O-N 3.46Å; W218-Q221 PolarHBondContact O-N 2.82Å; W218-Q221 VanDerWaalsContact O-N 3.15Å; W218-W222 AromaticContact CE3-CD1 3.72Å; W218-W222 AromaticContact CE3-NE1 3Å; W218-W222 AromaticContact CZ3-CE2 3.79Å; W218-W222 AromaticContact CZ3-CZ2 3.87Å; W218-W222 HydrophobicContact CZ3-CZ2 3.87Å; W218-W222 AromaticContact CZ3-NE1 3.09Å; W218-W222 PolarHBondContact O-N 2.97Å
219T56.8Low59.3Low73 Ų73101.3 Ų101.345%0.44850%0.5SS..Hα-helixtrans-61.2-33.7-179.955.10000113.6K215 L216 Q223K215-T219 WeakPolarHBondContact O-CG2 3.3Å; K215-T219 PolarHBondContact O-N 3.12Å; K215-T219 PolarHBondContact O-OG1 2.93Å; L216-T219 VanDerWaalsContact CA-OG1 3.3Å; L216-T219 WeakPolarHBondContact CA-OG1 3.35Å; L216-T219 PolarHBondContact O-N 2.78Å; L216-T219 PolarHBondContact O-OG1 3.48Å; T219-Q223 WeakPolarHBondContact O-CG 3.36Å; T219-Q223 PolarHBondContact O-N 3.45Å
220N54.3Low58.1Low36 Ų36103.3 Ų103.319%0.19351%0.514CS..Hα-helixtrans-74.2-36.7176.3-80.8-66.6000112.2L216 I217 W218 W222 Q223 Q224L216-N220 WeakPolarHBondContact O-CB 3.49Å; L216-N220 PolarHBondContact O-N 2.87Å; L216-N220 PolarHBondContact O-ND2 2.98Å; I217-N220 PolarHBondContact O-N 3.46Å; W218-N220 VanDerWaalsContact C-N 3.28Å; W218-N220 PolarHBondContact O-N 3.46Å; N220-W222 VanDerWaalsContact C-N 3.34Å; N220-Q223 CarbonylContact O-C 3.59Å; N220-Q223 PolarHBondContact O-N 2.81Å; N220-Q224 WeakPolarHBondContact O-CG 3.46Å; N220-Q224 PolarHBondContact O-N 3.37Å
221Q56Low56.9Low111 Ų111103.6 Ų103.652%0.51952%0.515SS..Hα-helixtrans-62.4-41.5172.2-83.7-178.5-27.100111.3I217 W218 Q223 Q224 Q225I217-Q221 PolarHBondContact O-N 2.9Å; W218-Q221 PolarHBondContact O-N 2.82Å; W218-Q221 VanDerWaalsContact O-N 3.15Å; Q221-Q223 VanDerWaalsContact C-N 3.34Å; Q221-Q223 PolarHBondContact O-N 3.18Å; Q221-Q224 PolarHBondContact O-N 3.46Å; Q221-Q225 PolarHBondContact O-N 3.14Å
222W49.6Very low55.4Low155 Ų155107.6 Ų107.659%0.58753%0.53SS*.Hα-helixtrans-64.6-34.4172.1-75104.4000113W218 N220W218-W222 AromaticContact CE3-CD1 3.72Å; W218-W222 AromaticContact CE3-NE1 3Å; W218-W222 AromaticContact CZ3-CE2 3.79Å; W218-W222 AromaticContact CZ3-CZ2 3.87Å; W218-W222 HydrophobicContact CZ3-CZ2 3.87Å; W218-W222 AromaticContact CZ3-NE1 3.09Å; W218-W222 PolarHBondContact O-N 2.97Å; N220-W222 VanDerWaalsContact C-N 3.34Å
223Q51.8Low53.9Low99 Ų99106.6 Ų106.646%0.46354%0.542SS..Hα-helixtrans-72.8-31.6173.7-80.2-170.3-24.500113.1T219 N220 Q221 Q225 R226T219-Q223 WeakPolarHBondContact O-CG 3.36Å; T219-Q223 PolarHBondContact O-N 3.45Å; N220-Q223 CarbonylContact O-C 3.59Å; N220-Q223 PolarHBondContact O-N 2.81Å; Q221-Q223 VanDerWaalsContact C-N 3.34Å; Q221-Q223 PolarHBondContact O-N 3.18Å; Q223-Q225 VanDerWaalsContact C-N 3.27Å; Q223-Q225 PolarHBondContact O-N 3.01Å; Q223-R226 WeakPolarHBondContact O-CB 3.3Å; Q223-R226 PolarHBondContact O-N 3.45Å; Q223-R226 VanDerWaalsContact O-N 3.17Å
224Q52.5Low52.9Low140 Ų140115.1 Ų115.165%0.65458%0.576SS**Hα-helixtrans-70.2-24.3177.4-77.5-172.53.200113.2N220 Q221 R226 R231N220-Q224 WeakPolarHBondContact O-CG 3.46Å; N220-Q224 PolarHBondContact O-N 3.37Å; Q221-Q224 PolarHBondContact O-N 3.46Å; Q224-R226 VanDerWaalsContact C-N 3.26Å; Q224-R226 PolarHBondContact O-N 3.26Å; Q224-R231 PolarHBondContact O-NH1 3.25Å
225Q55.7Low52.1Low155 Ų155119.5 Ų119.572%0.72460%0.595SS**THydrogen-bonded Turntrans-78.5-0.8171.7-67.2-1725.900113.9Q221 Q223Q221-Q225 PolarHBondContact O-N 3.14Å; Q223-Q225 VanDerWaalsContact C-N 3.27Å; Q223-Q225 PolarHBondContact O-N 3.01Å
226R46.2Very low51.4Low131 Ų131122.2 Ų122.249%0.49461%0.607SS.*SBendtrans-79.5143.1172.1-71.1-172-174.7-177-0.7111.6Q223 Q224 R231Q223-R226 WeakPolarHBondContact O-CB 3.3Å; Q223-R226 PolarHBondContact O-N 3.45Å; Q223-R226 VanDerWaalsContact O-N 3.17Å; Q224-R226 VanDerWaalsContact C-N 3.26Å; Q224-R226 PolarHBondContact O-N 3.26Å; R226-R231 PolarHBondContact O-NH2 3.39Å
227P47.2Very low50.9Low93 Ų93124 Ų12460%0.60462%0.62SS**  trans-52.2147.1172.8-2129.4000112.2S229 L230P227-S229 PolarHBondContact O-N 2.88Å; P227-L230 PolarHBondContact O-N 3.04Å
228S55.2Low50.2Low104 Ų104122.5 Ų122.573%0.72761%0.612SS**G310 helixtrans-57.8-11.1-170.6-5.10000115.7
229S52.3Low50Low107 Ų107123.4 Ų123.475%0.74862%0.617SS**G310 helixtrans-852-176.852.70000115.3P227P227-S229 PolarHBondContact O-N 2.88Å
230L50.9Low49.7Very low117 Ų117122 Ų12261%0.61362%0.617SS**G310 helixtrans-128.917.8-172.5-107.7131.2000115P227 E232P227-L230 PolarHBondContact O-N 3.04Å; L230-E232 PolarHBondContact O-N 3.13Å
231R47.2Very low49.5Very low141 Ų141121.9 Ų121.953%0.53262%0.616SS.*  trans-101.272.5-175-75.6-168.9-97.9-129.3-6.8112.9Q224 R226Q224-R231 PolarHBondContact O-NH1 3.25Å; R226-R231 PolarHBondContact O-NH2 3.39Å
232E43.4Very low49.3Very low192 Ų192122.6 Ų122.690%0.89762%0.619SS**  trans-114.9125.8162-82-172.8162.400111.3L230L230-E232 PolarHBondContact O-N 3.13Å
233G44.9Very low49.5Very low69 Ų69122.7 Ų122.771%0.71162%0.624SS**SBendtrans90.6104.8155.500000118
234K45.1Very low49.4Very low197 Ų197120.7 Ų120.786%0.85762%0.618SS**  trans14077.2137.1-75.6171.6-178.6176.90113.2
235L46.6Very low49.4Very low148 Ų148116 Ų11678%0.77560%0.597SS**  trans-114.118174.8-124.5119.1000115.2
236K50.4Low49.2Very low199 Ų199118.9 Ų118.987%0.86560%0.601SS**SBendtrans-89.6-12.8179.3-79.6-175.8175.9178.10115.2
237V48.6Very low49.5Very low90 Ų90119.9 Ų119.955%0.54561%0.606SS.*Hα-helixtrans-84-27.4-172.1-177.70000113.2L216 L241L216-V237 HydrophobicContact CD1-CG1 4.46Å; V237-L241 HydrophobicContact CG1-CD1 4.13Å
238L46.5Very low49.6Very low56 Ų56116.8 Ų116.829%0.29359%0.587SS.*Hα-helixtrans-72.9-32.8-174.4-81.9158.2000114.2Q242L238-Q242 PolarHBondContact O-N 2.95Å
239Y48.4Very low49.5Very low179 Ų179116 Ų11670%0.70257%0.573SS**Hα-helixtrans-73.4-33-173.8-137.1-93.9000113
240G51.6Low49.4Very low43 Ų43114.4 Ų114.444%0.44357%0.573SS.*Hα-helixtrans-71.3-3817700000113.2T244G240-T244 PolarHBondContact O-N 2.87Å; G240-T244 PolarHBondContact O-OG1 3.49Å
241L49.6Very low49.5Very low33 Ų33116 Ų11617%0.17357%0.572CS.*Hα-helixtrans-67.6-39.6178.9-89.4148.2000112.3K209 L216 V237 T244 I245K209-L241 HydrophobicContact CB-CD2 4.37Å; K209-L241 HydrophobicContact CG-CD2 4.46Å; L216-L241 HydrophobicContact CD1-CD1 4.08Å; V237-L241 HydrophobicContact CG1-CD1 4.13Å; L241-T244 PolarHBondContact O-N 3.4Å; L241-I245 WeakPolarHBondContact O-CD1 3.39Å; L241-I245 VanDerWaalsContact O-CG1 3.29Å; L241-I245 WeakPolarHBondContact O-CG1 3.25Å; L241-I245 PolarHBondContact O-N 3.27Å; L241-I245 VanDerWaalsContact O-N 3.1Å
242Q51.3Low49.3Very low126 Ų126114.9 Ų114.959%0.58958%0.575SS**Hα-helixtrans-63.9-41.6177.4-81.4-177.9-21.500113.4L238 T244 I245 R246L238-Q242 PolarHBondContact O-N 2.95Å; Q242-T244 VanDerWaalsContact C-N 3.31Å; Q242-T244 PolarHBondContact O-N 2.85Å; Q242-I245 PolarHBondContact O-N 3.23Å; Q242-R246 PolarHBondContact O-N 2.87Å; Q242-R246 VanDerWaalsContact O-N 3.14Å
243K53.8Low49.4Very low158 Ų158109.1 Ų109.169%0.68755%0.554SS**Hα-helixtrans-61.1-40.1176-94.2-176.6174.6179.70112.3Y247K243-Y247 PolarHBondContact O-N 2.74Å
244T50.7Low49.5Very low56 Ų56110.7 Ų110.734%0.34455%0.552SS.*Hα-helixtrans-69.5-38.9-179.1-37.90000111.6G240 L241 Q242 Y247 C248G240-T244 PolarHBondContact O-N 2.87Å; G240-T244 PolarHBondContact O-OG1 3.49Å; L241-T244 PolarHBondContact O-N 3.4Å; Q242-T244 VanDerWaalsContact C-N 3.31Å; Q242-T244 PolarHBondContact O-N 2.85Å; T244-Y247 PolarHBondContact O-N 2.95Å; T244-C248 PolarHBondContact O-N 2.88Å; T244-C248 PolarHBondContact O-SG 2.73Å
245I51Low49.3Very low41 Ų41107.5 Ų107.521%0.2156%0.555CS.*Hα-helixtrans-66-41.4177.7-69165.7000111.4L241 Q242 Y247 C248 I249L241-I245 WeakPolarHBondContact O-CD1 3.39Å; L241-I245 VanDerWaalsContact O-CG1 3.29Å; L241-I245 WeakPolarHBondContact O-CG1 3.25Å; L241-I245 PolarHBondContact O-N 3.27Å; L241-I245 VanDerWaalsContact O-N 3.1Å; Q242-I245 PolarHBondContact O-N 3.23Å; I245-Y247 VanDerWaalsContact C-N 3.35Å; I245-Y247 PolarHBondContact O-N 2.64Å; I245-C248 PolarHBondContact O-N 3.26Å; I245-I249 HydrophobicContact CG2-CD1 3.53Å; I245-I249 HydrophobicContact CG2-CG1 4.29Å; I245-I249 WeakPolarHBondContact O-CG1 3.46Å; I245-I249 PolarHBondContact O-N 3.1Å
246R53.4Low49.1Very low217 Ų217104 Ų10482%0.81956%0.555SS**Hα-helixtrans-64.2-38.2178.9-130.4-178.1-124.1-179.51.6112.6Q242 G250Q242-R246 PolarHBondContact O-N 2.87Å; Q242-R246 VanDerWaalsContact O-N 3.14Å; R246-G250 PolarHBondContact O-N 2.9Å
247Y51.6Low48.7Very low151 Ų151103.7 Ų103.759%0.59255%0.554SS**Hα-helixtrans-67.1-35.9176.4-175-102.4000112.9K243 T244 I245 R251K243-Y247 PolarHBondContact O-N 2.74Å; T244-Y247 PolarHBondContact O-N 2.95Å; I245-Y247 VanDerWaalsContact C-N 3.35Å; I245-Y247 PolarHBondContact O-N 2.64Å; Y247-R251 PolarHBondContact OH-NH2 2.7Å
248C48.8Very low48.4Very low29 Ų29105.8 Ų105.820%0.19657%0.566CS.*Hα-helixtrans-77.2-35.6178.5-66.20000113.1V206 T244 I245 R251V206-C248 HydrophobicContact CG2-CB 3.88Å; T244-C248 PolarHBondContact O-N 2.88Å; T244-C248 PolarHBondContact O-SG 2.73Å; I245-C248 PolarHBondContact O-N 3.26Å; C248-R251 PolarHBondContact O-N 3.07Å
249I53Low48.5Very low87 Ų87108.3 Ų108.345%0.44658%0.58SS.*Hα-helixtrans-71.5-36.1179.8-66.9171000111.7I245 R251 L252I245-I249 HydrophobicContact CG2-CD1 3.53Å; I245-I249 HydrophobicContact CG2-CG1 4.29Å; I245-I249 WeakPolarHBondContact O-CG1 3.46Å; I245-I249 PolarHBondContact O-N 3.1Å; I249-R251 PolarHBondContact O-N 3.38Å; I249-R251 VanDerWaalsContact O-N 3.07Å; I249-L252 PolarHBondContact O-N 3.39Å
250G50.7Low48.6Very low73 Ų73109 Ų10975%0.75359%0.59SS**THydrogen-bonded Turntrans-66.6-6.2177.500000115.4R246R246-G250 PolarHBondContact O-N 2.9Å
251R53.2Low48.7Very low152 Ų152113.2 Ų113.257%0.57461%0.607SS**THydrogen-bonded Turntrans-106.7-1.5177.6-70.4-171.1-179-149-2.3114.2Y247 C248 I249Y247-R251 PolarHBondContact OH-NH2 2.7Å; C248-R251 PolarHBondContact O-N 3.07Å; I249-R251 PolarHBondContact O-N 3.38Å; I249-R251 VanDerWaalsContact O-N 3.07Å
252L43.4Very low49Very low117 Ų117115.8 Ų115.861%0.61362%0.62SS**SBendtrans-93.1125.2177.6-80.2156.7000109.4I249I249-L252 PolarHBondContact O-N 3.39Å
253P44.1Very low49.2Very low70 Ų70117.7 Ų117.746%0.45563%0.633SS.*PPolyproline II helixtrans-67.7147.6174.530.1-33.6000109.9F270P253-F270 HydrophobicContact CB-CE1 4.3Å; P253-F270 HydrophobicContact CB-CZ 4.38Å; P253-F270 HydrophobicContact CG-CE1 3.9Å; P253-F270 HydrophobicContact CG-CZ 4Å
254P47.7Very low49.5Very low102 Ų102115.1 Ų115.166%0.66264%0.635SS**PPolyproline II helixtrans-64.6138.8174.525.7-29.1000110G256P254-G256 PolarHBondContact O-N 3.3Å
255S41Very low50Low131 Ų131115.1 Ų115.192%0.91663%0.633SS**THydrogen-bonded Turntrans-64.5114.3176.250.60000110
256G43Very low50.3Low75 Ų75118.7 Ų118.777%0.77366%0.659SS**THydrogen-bonded Turntrans143.47.4167.300000118.9P254P254-G256 PolarHBondContact O-N 3.3Å
257F40.5Very low50.5Low192 Ų192111.1 Ų111.184%0.84263%0.634SS**  trans-111.7126.5-179.4-123.5-98.1000112.3
258V43.7Very low51Low134 Ų134105.4 Ų105.481%0.81262%0.622SS**  trans-79.7118.1171.9-177.90000107.6Q260V258-Q260 PolarHBondContact O-N 3.04Å
259D48.8Very low51.1Low108 Ų108114 Ų11458%0.57865%0.65SS**  trans-69.4115.5178.9-77.3-30.7000110.2V261D259-V261 PolarHBondContact O-N 2.92Å
260Q49.5Very low50.8Low195 Ų195113.5 Ų113.591%0.91165%0.645SS**  trans-71.4121.7160.1-87.6179.6-6.300108.3V258 D262V258-Q260 PolarHBondContact O-N 3.04Å; Q260-D262 PolarHBondContact O-N 3.41Å; Q260-D262 VanDerWaalsContact O-N 3.09Å
261V54.7Low50.6Low131 Ų131114.4 Ų114.479%0.79464%0.636SS**  trans-73.599.6178.7-177.10000108.6D259 I263D259-V261 PolarHBondContact O-N 2.92Å; V261-I263 PolarHBondContact O-N 3.45Å
262D55.2Low50.1Low86 Ų86113.9 Ų113.946%0.4664%0.638SS.*  trans-75112.6168.5-1760.2000109.2Q260 S264 N265Q260-D262 PolarHBondContact O-N 3.41Å; Q260-D262 VanDerWaalsContact O-N 3.09Å; D262-S264 PolarHBondContact O-N 3.4Å; D262-S264 VanDerWaalsContact O-N 3.09Å; D262-S264 WeakPolarHBondContact OD1-CB 3.33Å; D262-S264 PolarHBondContact OD1-N 2.91Å; D262-S264 PolarHBondContact OD1-OG 2.95Å; D262-N265 CarbonylContact O-C 3.36Å; D262-N265 PolarHBondContact O-N 3.34Å
263I54.9Low50.2Low166 Ų166120.4 Ų120.485%0.85165%0.654SS**THydrogen-bonded Turntrans-59.2-22179.3-61168.7000111.1V261V261-I263 PolarHBondContact O-N 3.45Å
264S60.9Low50.5Low105 Ų105123.4 Ų123.473%0.73466%0.657SS**THydrogen-bonded Turntrans-82.7-15.9-180-28.20000113.3D262D262-S264 PolarHBondContact O-N 3.4Å; D262-S264 VanDerWaalsContact O-N 3.09Å; D262-S264 WeakPolarHBondContact OD1-CB 3.33Å; D262-S264 PolarHBondContact OD1-N 2.91Å; D262-S264 PolarHBondContact OD1-OG 2.95Å
265N61.1Low50.4Low55 Ų55129.2 Ų129.229%0.29467%0.665SS.*  trans-141.585.8-178.3-179.817.1000110.6D262 D267 G268D262-N265 CarbonylContact O-C 3.36Å; D262-N265 PolarHBondContact O-N 3.34Å; N265-D267 PolarHBondContact O-N 3.48Å; N265-D267 PolarHBondContact OD1-N 3.44Å; N265-G268 PolarHBondContact ND2-O 2.91Å; N265-G268 PolarHBondContact O-N 3.05Å; N265-G268 VanDerWaalsContact O-N 3.08Å
266P56.1Low50.3Low117 Ų117132.9 Ų132.976%0.7667%0.665SS**THydrogen-bonded Turntrans-63.9-14.4-179.327-34.9000113.4
267D59.6Low50.6Low57 Ų57137 Ų13731%0.30567%0.669SS.*THydrogen-bonded Turntrans-90.2-5.4179.8-63.3-33.7000112.9N265 F270 T271 R274N265-D267 PolarHBondContact O-N 3.48Å; N265-D267 PolarHBondContact OD1-N 3.44Å; D267-F270 PolarHBondContact O-N 2.96Å; D267-T271 HydrophobicContact CB-CG2 4.24Å; D267-R274 IonicContact OD2-NH2 2.69Å; D267-R274 PolarHBondContact OD2-NH2 3.01Å
268G61.3Low50.9Low32 Ų32131.2 Ų131.233%0.3365%0.652SS.*G310 helixtrans53.4-152.3177.600000114N265 F270N265-G268 PolarHBondContact ND2-O 2.91Å; N265-G268 PolarHBondContact O-N 3.05Å; N265-G268 VanDerWaalsContact O-N 3.08Å; G268-F270 PolarHBondContact O-N 3.07Å
269R49.9Very low51.2Low209 Ų209131 Ų13179%0.78965%0.646SS**G310 helixtrans-69.6-4.5176.2-170.3176.4179.7-168.22.5113.3T271R269-T271 VanDerWaalsContact C-N 3.27Å; R269-T271 PolarHBondContact O-N 3.5Å
270F47.7Very low51Low77 Ų77132.9 Ų132.934%0.33865%0.646SS.*G310 helixtrans-91.227.9-176.8-61.4-73.1000113.5P253 D267 G268 F272P253-F270 HydrophobicContact CB-CE1 4.3Å; P253-F270 HydrophobicContact CB-CZ 4.38Å; P253-F270 HydrophobicContact CG-CE1 3.9Å; P253-F270 HydrophobicContact CG-CZ 4Å; D267-F270 PolarHBondContact O-N 2.96Å; G268-F270 PolarHBondContact O-N 3.07Å; F270-F272 PolarHBondContact O-N 2.93Å
271T47.2Very low50.8Low91 Ų91133.8 Ų133.856%0.55864%0.643SS**  trans-63.4106.4177.849.90000111D267 R269D267-T271 HydrophobicContact CB-CG2 4.24Å; R269-T271 VanDerWaalsContact C-N 3.27Å; R269-T271 PolarHBondContact O-N 3.5Å
272F42.4Very low50.1Low142 Ų142135.3 Ų135.362%0.62365%0.645SS**  trans-66.8132.7157-58.7-80.6000107.6F270 R274F270-F272 PolarHBondContact O-N 2.93Å; F272-R274 PolarHBondContact O-N 3.42Å
273R44.8Very low49.4Very low253 Ų253137 Ų13796%0.95566%0.658SS**  trans-49.8111.5169.5-105.3-177175.6178.4-0.6108.4
274R49.6Very low48.6Very low134 Ų134140.4 Ų140.451%0.50666%0.661SS.*PPolyproline II helixtrans-59.8139.3175.5-68.5-176.1-177.7-175.80.8108.9D267 F272 Y280D267-R274 IonicContact OD2-NH2 2.69Å; D267-R274 PolarHBondContact OD2-NH2 3.01Å; F272-R274 PolarHBondContact O-N 3.42Å; R274-Y280 VanDerWaalsContact NH2-CD2 3.29Å
275R46.5Very low47.6Very low224 Ų224142 Ų14285%0.84566%0.659SS**PPolyproline II helixtrans-56.5140.5164-77.1-173.9174.9-173.5-0.9107.8N277 C278R275-N277 PolarHBondContact O-N 3.27Å; R275-C278 PolarHBondContact O-N 2.92Å
276K38Very low46.7Very low208 Ų208145 Ų14590%0.90468%0.682SS**THydrogen-bonded Turntrans-50.4127.8168.6-105.8179.4171-178.20107.6
277N49.6Very low46.1Very low161 Ų161147 Ų14786%0.86169%0.685SS**THydrogen-bonded Turntrans86.919.4-179-53.3-4.1000118.5R275R275-N277 PolarHBondContact O-N 3.27Å
278C47.2Very low45.3Very low71 Ų71153.9 Ų153.948%0.4871%0.712SS.*  trans-93.999.5172.1-156.30000111.8R275R275-C278 PolarHBondContact O-N 2.92Å
279N49.8Very low44.5Very low129 Ų129161.2 Ų161.269%0.6974%0.738SS**  trans-93125.8174.2-77.1-19.3000110.7Y281N279-Y281 PolarHBondContact O-N 3.46Å
280Y45.9Very low43.9Very low147 Ų147161.4 Ų161.458%0.57675%0.745SS**  trans-78.1117.2162.1-77.8-109000106.8R274 L282R274-Y280 VanDerWaalsContact NH2-CD2 3.29Å; Y280-L282 PolarHBondContact O-N 2.92Å; Y280-L282 VanDerWaalsContact O-N 3.11Å
281Y43.6Very low43.6Very low215 Ų215166.7 Ų166.784%0.84379%0.791SS**  trans-70.1106.7166.3-67.6-77.7000107.4N279 V283N279-Y281 PolarHBondContact O-N 3.46Å; Y281-V283 PolarHBondContact O-N 3.05Å
282L41.6Very low43.5Very low162 Ų162170.5 Ų170.585%0.84880%0.803SS**  trans-55.2123.3164.3-84.3165.8000107.8Y280 R284Y280-L282 PolarHBondContact O-N 2.92Å; Y280-L282 VanDerWaalsContact O-N 3.11Å; L282-R284 PolarHBondContact O-N 3.23Å
283V40.7Very low43.5Very low121 Ų121171.9 Ų171.973%0.73381%0.812SS**  trans-60.6112.5171.3176.80000107.2Y281 I285Y281-V283 PolarHBondContact O-N 3.05Å; V283-I285 HydrophobicContact CG1-CG1 4.48Å; V283-I285 PolarHBondContact O-N 3.36Å
284R36.5Very low43.4Very low239 Ų239167.4 Ų167.490%0.90280%0.804SS**  trans-69.896.4170.1-73.7-173.5178.8-167.60.1108.1L282L282-R284 PolarHBondContact O-N 3.23Å
285I41.5Very low43.1Very low137 Ų137169.4 Ų169.470%0.70382%0.822SS**  trans-70.7125.1163.4-59.6169.4000106.4V283 L287V283-I285 HydrophobicContact CG1-CG1 4.48Å; V283-I285 PolarHBondContact O-N 3.36Å; I285-L287 PolarHBondContact O-N 2.89Å
286P41.3Very low42.9Very low118 Ų118166 Ų16677%0.76682%0.82SS**  trans-68.6106.8171.4-3.718.3000107.7K288P286-K288 PolarHBondContact O-N 2.88Å; P286-K288 VanDerWaalsContact O-N 3.12Å
287L43.2Very low43.2Very low159 Ų159163.2 Ų163.283%0.83282%0.815SS**  trans-64111.1164.3-72.8170.8000106.9I285 Q289I285-L287 PolarHBondContact O-N 2.89Å; L287-Q289 PolarHBondContact O-N 3.12Å
288K43.7Very low42.7Very low202 Ų202163.4 Ų163.488%0.87881%0.811SS**  trans-55.6107.5161.4-82.7-177.8173.1-178.70107.1P286 K290P286-K288 PolarHBondContact O-N 2.88Å; P286-K288 VanDerWaalsContact O-N 3.12Å; K288-K290 PolarHBondContact O-N 3.24Å; K288-K290 VanDerWaalsContact O-N 3.13Å
289Q44.2Very low42.4Very low187 Ų187170.5 Ų170.587%0.87484%0.837SS**  trans-62.7112.6162.2-79.7-178.1-37.200106.8L287 S291L287-Q289 PolarHBondContact O-N 3.12Å; Q289-S291 PolarHBondContact O-N 2.96Å
290K36.4Very low41.8Very low213 Ų213173.9 Ų173.993%0.92685%0.849SS**  trans-70.3112.2159.6-81.5179.2171.2-178.40106.5K288K288-K290 PolarHBondContact O-N 3.24Å; K288-K290 VanDerWaalsContact O-N 3.13Å
291S42.9Very low41.4Very low187 Ų187176.4 Ų176.4100%1.30887%0.874SS**  trans-110.70150.961.40000107.2Q289Q289-S291 PolarHBondContact O-N 2.96Å

Retrieved 291 of 291 residues in 53.4 ms (Link to these results)