X5DP61_HUMAN Loading...

Tuberous sclerosis 2 isoform K

AlphaFold DB , UniProt , Accession X5DP61, Species HUMAN (Homo sapiens, Human), Gene TSC2, Length 115 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M36.1Very low51Low255 Ų255128.5 Ų128.5100%1.25674%0.744SS**  0155.10-68.8-169.7-170.600109.3
2A42.9Very low51.7Low100 Ų100127.6 Ų127.683%0.82673%0.725SS**  trans-71.3154.7-149.900000118.4
3K58.3Low52.3Low176 Ų176128.8 Ų128.877%0.76572%0.72SS**  trans-51.3155.6160.1-108.8172.2176.7172.80111.3T5K3-T5 HydrophobicContact CD-CG2 4.32Å
4P48.4Very low52.9Low125 Ų125126.5 Ų126.581%0.81270%0.699SS**  -139.2125.4100.131.1-14.4000114.1S6P4-S6 PolarHBondContact O-N 3.48Å
5T46.4Very low53.6Low104 Ų104126.7 Ų126.764%0.63869%0.69SS**  trans-67.6115.1157.538.90000109.2K3 K7K3-T5 HydrophobicContact CD-CG2 4.32Å; T5-K7 PolarHBondContact O-N 3.19Å
6S48.7Very low53.9Low124 Ų124127.9 Ų127.987%0.86769%0.687SS**  trans-72117176.6-155.10000110.6P4 D8P4-S6 PolarHBondContact O-N 3.48Å; S6-D8 PolarHBondContact O-N 3.03Å
7K51.4Low54.3Low196 Ų196128.4 Ų128.485%0.85269%0.687SS**  trans-8385.8177.3-102.2176.7171.9176.60109.6T5 S9T5-K7 PolarHBondContact O-N 3.19Å; K7-S9 VanDerWaalsContact C-N 3.29Å; K7-S9 PolarHBondContact O-N 3.38Å
8D57.2Low54.7Low101 Ų101129.3 Ų129.354%0.5469%0.691SS.*THydrogen-bonded Turntrans-8473.6163.7-171.1-110.7000109.7S6 K12S6-D8 PolarHBondContact O-N 3.03Å; D8-K12 WeakPolarHBondContact O-CE 3.4Å; D8-K12 PolarHBondContact O-NZ 3.39Å; D8-K12 WeakPolarHBondContact OD1-CE 3Å; D8-K12 IonicContact OD1-NZ 2.61Å; D8-K12 PolarHBondContact OD1-NZ 3.49Å
9S54.7Low54.9Low80 Ų80129.7 Ų129.756%0.55969%0.693SS**THydrogen-bonded Turntrans-133.6-12.6173.3-73.20000114.2K7K7-S9 VanDerWaalsContact C-N 3.29Å; K7-S9 PolarHBondContact O-N 3.38Å
10G57Low55Low53 Ų53126.7 Ų126.755%0.54669%0.694SS.*THydrogen-bonded Turntrans-89.4-10-175.900000115.6K14G10-K14 PolarHBondContact O-NZ 3.28Å
11L60.3Low55.4Low99 Ų99128 Ų12852%0.51870%0.699SS.*THydrogen-bonded Turntrans-91.4-46.1-177.6-124.197.1000113.1E13 K14 F15L11-E13 VanDerWaalsContact C-N 3.3Å; L11-E13 PolarHBondContact O-N 3.39Å; L11-K14 VanDerWaalsContact CG-NZ 3.33Å; L11-K14 WeakPolarHBondContact O-CG 3.48Å; L11-K14 PolarHBondContact O-N 3.33Å; L11-F15 HydrophobicContact CD2-CE2 4.3Å; L11-F15 WeakPolarHBondContact O-CD2 2.85Å
12K58.8Low56Low118 Ų118118.2 Ų118.251%0.51366%0.664SS.*Hα-helixtrans-68.3-26.2-178.940.7-156170.1-160.60114D8D8-K12 WeakPolarHBondContact O-CE 3.4Å; D8-K12 PolarHBondContact O-NZ 3.39Å; D8-K12 WeakPolarHBondContact OD1-CE 3Å; D8-K12 IonicContact OD1-NZ 2.61Å; D8-K12 PolarHBondContact OD1-NZ 3.49Å
13E60.2Low56.4Low143 Ų143120 Ų12067%0.66867%0.665SS**Hα-helixtrans-73-36.3176.9-161.9144.689.200112.7L11 K16L11-E13 VanDerWaalsContact C-N 3.3Å; L11-E13 PolarHBondContact O-N 3.39Å; E13-K16 PolarHBondContact O-N 3.17Å
14K60.2Low56Low97 Ų97117.5 Ų117.542%0.42267%0.666SS.*Hα-helixtrans-73.9-27.8178.256.2167.8170.8-86.30114.2G10 L11 I17 L18G10-K14 PolarHBondContact O-NZ 3.28Å; L11-K14 VanDerWaalsContact CG-NZ 3.33Å; L11-K14 WeakPolarHBondContact O-CG 3.48Å; L11-K14 PolarHBondContact O-N 3.33Å; K14-I17 PolarHBondContact O-N 3.46Å; K14-L18 PolarHBondContact O-N 2.61Å
15F63.4Low56.2Low129 Ų129121.5 Ų121.557%0.56667%0.665SS**Hα-helixtrans-71.5-29.9175.9-87.1-82.4000112.9L11 I17 L19L11-F15 HydrophobicContact CD2-CE2 4.3Å; L11-F15 WeakPolarHBondContact O-CD2 2.85Å; F15-I17 VanDerWaalsContact C-N 3.3Å; F15-I17 PolarHBondContact O-N 3.36Å; F15-L19 WeakPolarHBondContact O-CB 3.36Å; F15-L19 PolarHBondContact O-N 2.86Å; F15-L19 VanDerWaalsContact O-N 3.17Å
16K58.8Low56Low147 Ų147122.1 Ų122.164%0.63967%0.671SS**Hα-helixtrans-66.2-31.6172.3-86.8-176.1171.8-177.70113.2E13E13-K16 PolarHBondContact O-N 3.17Å
17I59.8Low56.1Low135 Ų135121.8 Ų121.869%0.69266%0.659SS**Hα-helixtrans-75.3-36.4-179.4-60.4170000110.9K14 F15K14-I17 PolarHBondContact O-N 3.46Å; F15-I17 VanDerWaalsContact C-N 3.3Å; F15-I17 PolarHBondContact O-N 3.36Å
18L62.1Low55.9Low145 Ų145115.6 Ų115.676%0.75964%0.639SS**Hα-helixtrans-77.8-25.9178-78.1163.8000113.4K14K14-L18 PolarHBondContact O-N 2.61Å
19L59.3Low55.8Low137 Ų137121.5 Ų121.572%0.71765%0.654SS**THydrogen-bonded Turntrans-95.927.7-179.2-134.292.9000114.1F15 L21F15-L19 WeakPolarHBondContact O-CB 3.36Å; F15-L19 PolarHBondContact O-N 2.86Å; F15-L19 VanDerWaalsContact O-N 3.17Å; L19-L21 PolarHBondContact O-N 3.01Å
20G56Low55.4Low70 Ų70122.9 Ų122.972%0.72266%0.664SS**THydrogen-bonded Turntrans62.46.9162.400000118.2
21L64.1Low54.8Low154 Ų154124.4 Ų124.481%0.80667%0.671SS**  trans-124.168.6-176.4-9677.5000111.1L19L19-L21 PolarHBondContact O-N 3.01Å
22G49Very low54.3Low49 Ų49128.1 Ų128.151%0.50569%0.686SS.*SBendtrans-154.580.2-176.200000115.8
23T51.4Low53.7Low138 Ų138125.5 Ų125.585%0.84769%0.692SS**  trans69.9139.3159.662.30000119.5R25T23-R25 PolarHBondContact O-N 2.87Å
24P49Very low53.3Low123 Ų123127.8 Ų127.880%0.79970%0.7SS**PPolyproline II helixtrans-71.4124.8-172.530.5-32.9000109.8
25R52.4Low52.9Low210 Ų210129 Ų12979%0.79271%0.707SS**PPolyproline II helixtrans-50.7131.2167.7-165.8177.1-169167.42.5108.4T23 N27T23-R25 PolarHBondContact O-N 2.87Å; R25-N27 PolarHBondContact O-N 3.42Å
26P42.8Very low52.7Low117 Ų117127.9 Ų127.976%0.7671%0.711SS**PPolyproline II helixtrans-57.6118.7166.324-29.7000106.3P28P26-P28 WeakPolarHBondContact O-CD 3.36Å
27N50.8Low53.6Low117 Ų117126.2 Ų126.263%0.62671%0.706SS**  trans-39.1110.7177-17916.3000110.1R25 R29R25-N27 PolarHBondContact O-N 3.42Å; N27-R29 VanDerWaalsContact ND2-CG 3.3Å; N27-R29 WeakPolarHBondContact ND2-CG 3.18Å; N27-R29 PolarHBondContact O-N 3.34Å; N27-R29 PolarHBondContact OD1-N 2.84Å; N27-R29 VanDerWaalsContact OD1-N 3.09Å
28P47.2Very low54.7Low66 Ų66122.1 Ų122.143%0.42968%0.683SS.*  trans-69.299.3148.630-23.2000104.3P26 S30P26-P28 WeakPolarHBondContact O-CD 3.36Å; P28-S30 PolarHBondContact O-N 3.35Å
29R54.4Low56.1Low224 Ų224120.1 Ų120.185%0.84567%0.672SS**SBendtrans-57.877152.2-71.3-175.4178.5-164-0.1106.5N27N27-R29 VanDerWaalsContact ND2-CG 3.3Å; N27-R29 WeakPolarHBondContact ND2-CG 3.18Å; N27-R29 PolarHBondContact O-N 3.34Å; N27-R29 PolarHBondContact OD1-N 2.84Å; N27-R29 VanDerWaalsContact OD1-N 3.09Å
30S47Very low57.6Low109 Ų109114.2 Ų114.276%0.76264%0.641SS**  trans160.860.2177.1-79.20000109P28P28-S30 PolarHBondContact O-N 3.35Å
31A43.7Very low59.5Low85 Ų85113.8 Ų113.870%0.70263%0.625SS**  trans-13951.5142.300000106.6G33A31-G33 PolarHBondContact O-N 2.73Å
32E50.3Low60.8Low177 Ų177109.8 Ų109.883%0.82761%0.613SS**  trans-66.271.9148.1-171.3154.373.800105.3K34E32-K34 PolarHBondContact O-N 2.76Å
33G45.5Very low63Low63 Ų63113.3 Ų113.365%0.64962%0.617SS**  trans-70.383.6-175.800000106.7A31 Q35A31-G33 PolarHBondContact O-N 2.73Å; G33-Q35 PolarHBondContact O-N 2.68Å
34K52.2Low65Low191 Ų191107.7 Ų107.783%0.8358%0.581SS**  trans26.963.1160-148.1155.2-173.1176.20111.3E32 T36E32-K34 PolarHBondContact O-N 2.76Å; K34-T36 PolarHBondContact O-N 2.8Å
35Q51.5Low67.2Low122 Ų122104.4 Ų104.457%0.5756%0.557SS**  trans-52.6121162.6-77-173.2-1.500103.6G33 E37G33-Q35 PolarHBondContact O-N 2.68Å; Q35-E37 PolarHBondContact O-N 3.09Å
36T59.4Low69.2Low107 Ų107102.5 Ų102.566%0.65655%0.55SS*.  trans-66.993.9-175.3-41.60000106.4K34 F38K34-T36 PolarHBondContact O-N 2.8Å; T36-F38 PolarHBondContact O-N 3.03Å
37E76.9Confident71.6Confident112 Ų112100.9 Ų100.952%0.52353%0.532SS..  trans-57.8132-179.6-69.6174.7103.400107.4Q35 I39 K72Q35-E37 PolarHBondContact O-N 3.09Å; E37-I39 PolarHBondContact O-N 2.83Å; E37-K72 CarbonylContact C-O 3.59Å; E37-K72 WeakPolarHBondContact CA-O 3.33Å
38F84.9Confident73.7Confident48 Ų4895.4 Ų95.421%0.21150%0.502CS..BIsolated β-bridgetrans-79114.1172.3-171.2-96.4000108.3T36 I40 I44 V67 K71 K72 F73 E74T36-F38 PolarHBondContact O-N 3.03Å; F38-I40 HydrophobicContact CD1-CD1 3.62Å; F38-I40 HydrophobicContact CE1-CD1 3.57Å; F38-I44 HydrophobicContact CE1-CD1 3.77Å; F38-I44 HydrophobicContact CZ-CD1 3.76Å; F38-V67 HydrophobicContact CB-CG1 3.79Å; F38-V67 HydrophobicContact CD1-CG1 3.86Å; F38-V67 HydrophobicContact CD2-CG1 3.51Å; F38-V67 HydrophobicContact CD2-CG2 4.48Å; F38-V67 HydrophobicContact CE1-CG1 4.22Å; F38-V67 HydrophobicContact CE2-CG1 3.95Å; F38-V67 HydrophobicContact CE2-CG2 4.13Å; F38-V67 HydrophobicContact CG-CG1 3.44Å; F38-V67 VanDerWaalsContact CG-CG1 3.44Å; F38-V67 HydrophobicContact CZ-CG1 4.26Å; F38-V67 HydrophobicContact CZ-CG2 4.29Å; F38-K71 HydrophobicContact CB-CB 4.28Å; F38-K71 HydrophobicContact CB-CD 4.35Å; F38-K71 HydrophobicContact CD2-CD 4.49Å; F38-K72 PolarHBondContact N-O 3.01Å; F38-F73 HydrophobicContact CB-CD1 3.87Å; F38-F73 HydrophobicContact CB-CE1 4.13Å; F38-F73 AromaticContact CD1-CD1 3.65Å; F38-F73 HydrophobicContact CD1-CD1 3.65Å; F38-F73 AromaticContact CD1-CE1 3.43Å; F38-F73 HydrophobicContact CD1-CE1 3.43Å; F38-F73 VanDerWaalsContact CD1-CE1 3.43Å; F38-F73 HydrophobicContact CE1-CE1 4.14Å; F38-F73 HydrophobicContact CG-CD1 4.21Å; F38-F73 HydrophobicContact CG-CE1 4.11Å; F38-E74 PolarHBondContact O-N 3.02Å; F38-E74 VanDerWaalsContact O-N 3.16Å
39I90.6Very high75.9Confident103 Ų10393.5 Ų93.553%0.52849%0.491SS..  trans-82.6128.9177.7-63.1173000108.4E37 T41E37-I39 PolarHBondContact O-N 2.83Å; I39-T41 HydrophobicContact CG2-CG2 4.46Å; I39-T41 PolarHBondContact O-N 3.36Å
40I91.7Very high77.5Confident13 Ų1390 Ų907%0.06749%0.486CS..  trans-8698.1174.6-60.5-59.2000108F38 I44 L45 F73 E74 A77 L81F38-I40 HydrophobicContact CD1-CD1 3.62Å; F38-I40 HydrophobicContact CE1-CD1 3.57Å; I40-I44 HydrophobicContact CG2-CB 4.44Å; I40-I44 HydrophobicContact CG2-CG2 4.24Å; I40-L45 HydrophobicContact CG2-CD1 4.39Å; I40-L45 HydrophobicContact CG2-CD2 3.7Å; I40-L45 HydrophobicContact CG2-CG 3.81Å; I40-F73 HydrophobicContact CD1-CD1 3.96Å; I40-F73 HydrophobicContact CD1-CE1 3.94Å; I40-F73 HydrophobicContact CG1-CD1 4.38Å; I40-E74 PolarHBondContact N-OE1 3.03Å; I40-A77 HydrophobicContact CB-CB 4.12Å; I40-A77 HydrophobicContact CG1-CB 3.35Å; I40-L81 HydrophobicContact CD1-CD1 3.85Å; I40-L81 HydrophobicContact CD1-CD2 4.14Å; I40-L81 HydrophobicContact CD1-CG 4.16Å; I40-L81 HydrophobicContact CG1-CD1 4.14Å; I40-L81 HydrophobicContact CG1-CD2 4.48Å; I40-L81 HydrophobicContact CG1-CG 4.17Å; I40-L81 HydrophobicContact CG2-CD2 4.06Å; I40-L81 HydrophobicContact CG2-CG 4.34Å
41T94.1Very high79.7Confident62 Ų6292.9 Ų92.938%0.3849%0.487SS..  trans-70.9158.5-179.968.40000111.6I39 E43 I44 L45I39-T41 HydrophobicContact CG2-CG2 4.46Å; I39-T41 PolarHBondContact O-N 3.36Å; T41-E43 PolarHBondContact O-N 2.91Å; T41-I44 PolarHBondContact O-N 3.06Å; T41-I44 VanDerWaalsContact O-N 3.13Å; T41-I44 PolarHBondContact OG1-N 2.96Å; T41-L45 PolarHBondContact O-N 3.37Å
42A92.8Very high82Confident69 Ų6990.8 Ų90.857%0.5747%0.467SS*.Hα-helixtrans-60.4-24.1173.700000113.1R46A42-R46 WeakPolarHBondContact O-CB 3.4Å; A42-R46 PolarHBondContact O-N 2.91Å
43E94.4Very high83.9Confident123 Ų12384.4 Ų84.458%0.57545%0.449SS*.Hα-helixtrans-68-46.5174.3-176.9174.181.500111.3T41 L45 R46 E47T41-E43 PolarHBondContact O-N 2.91Å; E43-L45 VanDerWaalsContact C-N 3.29Å; E43-L45 PolarHBondContact O-N 3.29Å; E43-R46 WeakPolarHBondContact O-CB 3.3Å; E43-R46 PolarHBondContact O-N 3.19Å; E43-E47 PolarHBondContact O-N 3.13Å
44I94.3Very high85.9Confident20 Ų2085.4 Ų85.410%0.10344%0.439CS..Hα-helixtrans-58.1-45.2175-66.3171.4000110.3F38 I40 T41 R46 E47 L48 M60 I64 L81F38-I44 HydrophobicContact CE1-CD1 3.77Å; F38-I44 HydrophobicContact CZ-CD1 3.76Å; I40-I44 HydrophobicContact CG2-CB 4.44Å; I40-I44 HydrophobicContact CG2-CG2 4.24Å; T41-I44 PolarHBondContact O-N 3.06Å; T41-I44 VanDerWaalsContact O-N 3.13Å; T41-I44 PolarHBondContact OG1-N 2.96Å; I44-R46 VanDerWaalsContact C-N 3.3Å; I44-R46 PolarHBondContact O-N 3.06Å; I44-E47 PolarHBondContact O-N 3.17Å; I44-L48 HydrophobicContact CG2-CD1 4.22Å; I44-L48 WeakPolarHBondContact O-CG 3.38Å; I44-L48 PolarHBondContact O-N 3.43Å; I44-M60 HydrophobicContact CG2-SD 4.3Å; I44-I64 HydrophobicContact CG2-CD1 3.65Å; I44-I64 HydrophobicContact CG2-CG1 4.35Å; I44-L81 HydrophobicContact CG2-CD2 4.49Å
45L94.3Very high87.7Confident55 Ų5582.5 Ų82.529%0.28843%0.432SS..Hα-helixtrans-64.2-36177.3-64.8176.5000112.3I40 T41 E43 L48 S49 A80 L81 A84I40-L45 HydrophobicContact CG2-CD1 4.39Å; I40-L45 HydrophobicContact CG2-CD2 3.7Å; I40-L45 HydrophobicContact CG2-CG 3.81Å; T41-L45 PolarHBondContact O-N 3.37Å; E43-L45 VanDerWaalsContact C-N 3.29Å; E43-L45 PolarHBondContact O-N 3.29Å; L45-L48 CarbonylContact O-C 3.59Å; L45-L48 PolarHBondContact O-N 3.26Å; L45-S49 PolarHBondContact O-N 3.12Å; L45-S49 VanDerWaalsContact O-N 3.09Å; L45-A80 HydrophobicContact CD1-CB 4.49Å; L45-A80 HydrophobicContact CD2-CB 4.28Å; L45-L81 HydrophobicContact CD2-CD2 4.48Å; L45-A84 HydrophobicContact CD2-CB 4.15Å
46R94.4Very high89.6Confident170 Ų17081.4 Ų81.464%0.64243%0.431SS*.Hα-helixtrans-66.9-39.3176.1-167.9-177.5-63.2146.10.5111.7A42 E43 I44 L48 S49 C52A42-R46 WeakPolarHBondContact O-CB 3.4Å; A42-R46 PolarHBondContact O-N 2.91Å; E43-R46 WeakPolarHBondContact O-CB 3.3Å; E43-R46 PolarHBondContact O-N 3.19Å; I44-R46 VanDerWaalsContact C-N 3.3Å; I44-R46 PolarHBondContact O-N 3.06Å; R46-L48 VanDerWaalsContact C-N 3.27Å; R46-L48 PolarHBondContact O-N 3.16Å; R46-S49 WeakPolarHBondContact O-CB 3.35Å; R46-S49 PolarHBondContact O-N 3.24Å; R46-S49 VanDerWaalsContact O-N 3.14Å; R46-C52 PolarHBondContact O-SG 3.43Å
47E94.4Very high91.1Very high83 Ų8376.9 Ų76.939%0.38840%0.401SS..Hα-helixtrans-68.9-25.7175.1-71.6-169.3-139.800113.2E43 I44 C52 M60E43-E47 PolarHBondContact O-N 3.13Å; I44-E47 PolarHBondContact O-N 3.17Å; E47-C52 WeakPolarHBondContact O-CB 3.23Å; E47-M60 HydrophobicContact CB-CE 4.05Å; E47-M60 HydrophobicContact CB-CG 4.35Å; E47-M60 VanDerWaalsContact CD-CE 3.44Å; E47-M60 HydrophobicContact CG-CE 4.34Å; E47-M60 WeakPolarHBondContact OE2-CE 2.87Å
48L94.2Very high91.7Very high1 Ų176 Ų761%0.00540%0.4CS..THydrogen-bonded Turntrans-84.3-8.1171.9-68174.9000113.8I44 L45 R46 R57 M60 I61 I64 L81 A84 V85I44-L48 HydrophobicContact CG2-CD1 4.22Å; I44-L48 WeakPolarHBondContact O-CG 3.38Å; I44-L48 PolarHBondContact O-N 3.43Å; L45-L48 CarbonylContact O-C 3.59Å; L45-L48 PolarHBondContact O-N 3.26Å; R46-L48 VanDerWaalsContact C-N 3.27Å; R46-L48 PolarHBondContact O-N 3.16Å; L48-R57 PolarHBondContact O-NE 3.37Å; L48-R57 PolarHBondContact O-NH2 3.06Å; L48-R57 VanDerWaalsContact O-NH2 3.15Å; L48-M60 HydrophobicContact CD2-CB 3.95Å; L48-M60 HydrophobicContact CD2-CG 3.7Å; L48-M60 HydrophobicContact CG-CG 3.92Å; L48-I61 HydrophobicContact CD2-CD1 4.42Å; L48-I61 HydrophobicContact CD2-CG1 3.62Å; L48-I64 HydrophobicContact CD1-CD1 3.75Å; L48-I64 HydrophobicContact CD2-CD1 4.42Å; L48-I64 HydrophobicContact CG-CD1 4.4Å; L48-L81 HydrophobicContact CD1-CD2 3.44Å; L48-L81 VanDerWaalsContact CD1-CD2 3.44Å; L48-A84 HydrophobicContact CB-CB 4.02Å; L48-A84 HydrophobicContact CD1-CB 4.41Å; L48-V85 HydrophobicContact CB-CG1 4.48Å; L48-V85 HydrophobicContact CD1-CG1 4.37Å; L48-V85 HydrophobicContact CD2-CG1 4.12Å
49S92.4Very high92.1Very high27 Ų2782.5 Ų82.519%0.18942%0.422CS..SBendtrans-57.8149.2179.9-179.30000111.7L45 R46 E51 C52 R57L45-S49 PolarHBondContact O-N 3.12Å; L45-S49 VanDerWaalsContact O-N 3.09Å; R46-S49 WeakPolarHBondContact O-CB 3.35Å; R46-S49 PolarHBondContact O-N 3.24Å; R46-S49 VanDerWaalsContact O-N 3.14Å; S49-E51 PolarHBondContact O-N 3.45Å; S49-E51 VanDerWaalsContact O-N 3.13Å; S49-E51 PolarHBondContact OG-N 3.23Å; S49-E51 PolarHBondContact OG-OE2 3.42Å; S49-C52 WeakPolarHBondContact O-CB 3.46Å; S49-C52 PolarHBondContact O-N 3.39Å; S49-R57 WeakPolarHBondContact O-CD 3.45Å; S49-R57 PolarHBondContact O-NE 3.2Å
50M89.4Confident92.3Very high150 Ų15078.4 Ų78.474%0.73940%0.401SS*.THydrogen-bonded Turntrans-61.1-16.5171.763.6-178.8-68.900113.8C52M50-C52 PolarHBondContact O-N 3.02Å
51E91.6Very high92.3Very high170 Ų17080.1 Ų80.179%0.79441%0.41SS*.THydrogen-bonded Turntrans-72.1-19.8173.5-61.9166.9110.900112.1S49S49-E51 PolarHBondContact O-N 3.45Å; S49-E51 VanDerWaalsContact O-N 3.13Å; S49-E51 PolarHBondContact OG-N 3.23Å; S49-E51 PolarHBondContact OG-OE2 3.42Å
52C92.3Very high92.1Very high40 Ų4078.8 Ų78.827%0.2741%0.408SS..SBendtrans-85.4145.7173.2-73.30000111.3R46 E47 S49 M50 R57R46-C52 PolarHBondContact O-SG 3.43Å; E47-C52 WeakPolarHBondContact O-CB 3.23Å; S49-C52 WeakPolarHBondContact O-CB 3.46Å; S49-C52 PolarHBondContact O-N 3.39Å; M50-C52 PolarHBondContact O-N 3.02Å; C52-R57 HydrophobicContact CB-CG 3.98Å; C52-R57 WeakPolarHBondContact O-CD 3.4Å
53G90.9Very high92.1Very high43 Ų4380.6 Ų80.644%0.44341%0.405SS..  trans-59.9144.2175.800000112.3N55 N56 R57G53-N55 PolarHBondContact O-N 3.28Å; G53-N55 VanDerWaalsContact O-N 3.12Å; G53-N56 WeakPolarHBondContact O-CB 3.21Å; G53-N56 PolarHBondContact O-N 2.91Å; G53-R57 PolarHBondContact O-N 3.12Å
54L87.3Confident91.9Very high85 Ų8575.4 Ų75.445%0.44538%0.381SS..Hα-helixtrans-51.6-40.3-175.5-177.963.8000113.5N56 R57 I58 L88L54-N56 VanDerWaalsContact C-N 3.33Å; L54-N56 PolarHBondContact O-N 2.92Å; L54-R57 PolarHBondContact O-N 3.46Å; L54-I58 HydrophobicContact CD1-CD1 4.17Å; L54-I58 HydrophobicContact CD1-CG1 4.35Å; L54-I58 HydrophobicContact CD2-CD1 4.45Å; L54-I58 HydrophobicContact CG-CD1 3.84Å; L54-I58 HydrophobicContact CG-CG1 4.43Å; L54-I58 VanDerWaalsContact O-CG1 3.31Å; L54-I58 WeakPolarHBondContact O-CG1 3.26Å; L54-I58 PolarHBondContact O-N 3.46Å; L54-L88 HydrophobicContact CD1-CD2 3.56Å
55N88.9Confident91.6Very high130 Ų13075 Ų7570%0.69538%0.38SS*.Hα-helixtrans-63.7-36178.8-70.7-33000113.1G53 R59G53-N55 PolarHBondContact O-N 3.28Å; G53-N55 VanDerWaalsContact O-N 3.12Å; N55-R59 WeakPolarHBondContact O-CB 3.45Å; N55-R59 PolarHBondContact O-N 3.46Å; N55-R59 VanDerWaalsContact O-N 3.1Å
56N91.7Very high91.2Very high99 Ų9977.7 Ų77.753%0.52939%0.391SS..Hα-helixtrans-69.2-44.3177.4-65.2-9.2000109.9G53 L54 I58 R59 M60G53-N56 WeakPolarHBondContact O-CB 3.21Å; G53-N56 PolarHBondContact O-N 2.91Å; L54-N56 VanDerWaalsContact C-N 3.33Å; L54-N56 PolarHBondContact O-N 2.92Å; N56-I58 PolarHBondContact O-N 3.06Å; N56-R59 PolarHBondContact O-N 2.97Å; N56-M60 PolarHBondContact O-N 3.49Å
57R92.6Very high90.9Very high11 Ų1171.2 Ų71.24%0.04237%0.37CS..Hα-helixtrans-60.8-46.1177.2-59.7174.972.6-162.3-0.8111.5L48 S49 C52 G53 L54 R59 M60 I61 A84 D87L48-R57 PolarHBondContact O-NE 3.37Å; L48-R57 PolarHBondContact O-NH2 3.06Å; L48-R57 VanDerWaalsContact O-NH2 3.15Å; S49-R57 WeakPolarHBondContact O-CD 3.45Å; S49-R57 PolarHBondContact O-NE 3.2Å; C52-R57 HydrophobicContact CB-CG 3.98Å; C52-R57 WeakPolarHBondContact O-CD 3.4Å; G53-R57 PolarHBondContact O-N 3.12Å; L54-R57 PolarHBondContact O-N 3.46Å; R57-R59 PolarHBondContact O-N 2.77Å; R57-M60 PolarHBondContact O-N 2.91Å; R57-I61 VanDerWaalsContact O-CG1 3.22Å; R57-I61 WeakPolarHBondContact O-CG1 3.12Å; R57-I61 PolarHBondContact O-N 3.23Å; R57-A84 PolarHBondContact NH2-O 2.94Å; R57-D87 IonicContact CZ-OD1 3.65Å; R57-D87 IonicContact CZ-OD2 3.45Å; R57-D87 IonicContact NH1-OD1 3.71Å; R57-D87 IonicContact NH1-OD2 2.73Å; R57-D87 PolarHBondContact NH1-OD2 3.13Å; R57-D87 IonicContact NH2-OD1 2.66Å; R57-D87 PolarHBondContact NH2-OD1 3.34Å; R57-D87 IonicContact NH2-OD2 3.58Å; R57-D87 PolarHBondContact NH2-OD2 2.96Å
58I89.5Confident90.5Very high95 Ų9568.6 Ų68.649%0.48736%0.363SS..Hα-helixtrans-59.8-44.3176.2-69.3167.8000111.4L54 N56 I61 G62L54-I58 HydrophobicContact CD1-CD1 4.17Å; L54-I58 HydrophobicContact CD1-CG1 4.35Å; L54-I58 HydrophobicContact CD2-CD1 4.45Å; L54-I58 HydrophobicContact CG-CD1 3.84Å; L54-I58 HydrophobicContact CG-CG1 4.43Å; L54-I58 VanDerWaalsContact O-CG1 3.31Å; L54-I58 WeakPolarHBondContact O-CG1 3.26Å; L54-I58 PolarHBondContact O-N 3.46Å; N56-I58 PolarHBondContact O-N 3.06Å; I58-I61 PolarHBondContact O-N 3.14Å; I58-G62 PolarHBondContact O-N 2.78Å
59R92.8Very high90.1Very high183 Ų18375.2 Ų75.269%0.69139%0.392SS*.Hα-helixtrans-60.6-47.8177.5-178.9-172.7-64.3-90.50.2111.4N55 N56 R57 G62 Q63N55-R59 WeakPolarHBondContact O-CB 3.45Å; N55-R59 PolarHBondContact O-N 3.46Å; N55-R59 VanDerWaalsContact O-N 3.1Å; N56-R59 PolarHBondContact O-N 2.97Å; R57-R59 PolarHBondContact O-N 2.77Å; R59-G62 PolarHBondContact O-N 3.44Å; R59-Q63 PolarHBondContact O-N 3.3Å
60M93.9Very high89.6Confident18 Ų1879.6 Ų79.69%0.08942%0.418CS..Hα-helixtrans-63.7-43.3179.9179.1537500111.7I44 E47 L48 N56 R57 G62 Q63 I64I44-M60 HydrophobicContact CG2-SD 4.3Å; E47-M60 HydrophobicContact CB-CE 4.05Å; E47-M60 HydrophobicContact CB-CG 4.35Å; E47-M60 VanDerWaalsContact CD-CE 3.44Å; E47-M60 HydrophobicContact CG-CE 4.34Å; E47-M60 WeakPolarHBondContact OE2-CE 2.87Å; L48-M60 HydrophobicContact CD2-CB 3.95Å; L48-M60 HydrophobicContact CD2-CG 3.7Å; L48-M60 HydrophobicContact CG-CG 3.92Å; N56-M60 PolarHBondContact O-N 3.49Å; R57-M60 PolarHBondContact O-N 2.91Å; M60-G62 VanDerWaalsContact C-N 3.28Å; M60-G62 PolarHBondContact O-N 3.28Å; M60-Q63 PolarHBondContact O-N 3.13Å; M60-Q63 VanDerWaalsContact O-N 3.13Å; M60-I64 HydrophobicContact CG-CD1 3.89Å; M60-I64 WeakPolarHBondContact O-CG1 3.39Å; M60-I64 PolarHBondContact O-N 3.31Å; M60-I64 HydrophobicContact SD-CD1 4.02Å; M60-I64 HydrophobicContact SD-CG1 4.14Å
61I92.1Very high89.4Confident49 Ų4976.9 Ų76.925%0.25140%0.402SS..Hα-helixtrans-54.2-47.7172.3-68.8164.3000110L48 R57 I58 Q63 I64 C65 V85 L88L48-I61 HydrophobicContact CD2-CD1 4.42Å; L48-I61 HydrophobicContact CD2-CG1 3.62Å; R57-I61 VanDerWaalsContact O-CG1 3.22Å; R57-I61 WeakPolarHBondContact O-CG1 3.12Å; R57-I61 PolarHBondContact O-N 3.23Å; I58-I61 PolarHBondContact O-N 3.14Å; I61-Q63 VanDerWaalsContact C-N 3.34Å; I61-Q63 PolarHBondContact O-N 2.9Å; I61-I64 PolarHBondContact O-N 2.94Å; I61-C65 PolarHBondContact O-N 3.09Å; I61-C65 PolarHBondContact O-SG 3.15Å; I61-V85 HydrophobicContact CD1-CB 4.42Å; I61-V85 HydrophobicContact CD1-CG1 3.89Å; I61-V85 HydrophobicContact CG1-CG1 4.11Å; I61-L88 HydrophobicContact CD1-CD1 3.81Å
62G89.6Confident89Confident33 Ų3374.7 Ų74.734%0.3439%0.39SS..Hα-helixtrans-56.6-44.2176.900000113.4I58 R59 M60 C65 E66I58-G62 PolarHBondContact O-N 2.78Å; R59-G62 PolarHBondContact O-N 3.44Å; M60-G62 VanDerWaalsContact C-N 3.28Å; M60-G62 PolarHBondContact O-N 3.28Å; G62-C65 WeakPolarHBondContact O-CB 3.42Å; G62-C65 PolarHBondContact O-N 3.12Å; G62-E66 PolarHBondContact O-N 3.32Å; G62-E66 VanDerWaalsContact O-N 3.11Å
63Q92.3Very high88.8Confident107 Ų10774.5 Ų74.550%0.538%0.384SS..Hα-helixtrans-62.4-43.8176.9-67.7177.2-75.400112.1R59 M60 I61 C65 E66 V67R59-Q63 PolarHBondContact O-N 3.3Å; M60-Q63 PolarHBondContact O-N 3.13Å; M60-Q63 VanDerWaalsContact O-N 3.13Å; I61-Q63 VanDerWaalsContact C-N 3.34Å; I61-Q63 PolarHBondContact O-N 2.9Å; Q63-C65 VanDerWaalsContact C-N 3.27Å; Q63-C65 PolarHBondContact O-N 3.36Å; Q63-E66 PolarHBondContact O-N 3.34Å; Q63-V67 WeakPolarHBondContact O-CG2 3.46Å; Q63-V67 PolarHBondContact O-N 3.46Å; Q63-V67 VanDerWaalsContact O-N 3.12Å
64I91.6Very high88.7Confident14 Ų1475.3 Ų75.37%0.07238%0.377CS..Hα-helixtrans-63.7-36.7177.7-65.6163.1000110.7I44 L48 M60 I61 V67 A68 F73 L81I44-I64 HydrophobicContact CG2-CD1 3.65Å; I44-I64 HydrophobicContact CG2-CG1 4.35Å; L48-I64 HydrophobicContact CD1-CD1 3.75Å; L48-I64 HydrophobicContact CD2-CD1 4.42Å; L48-I64 HydrophobicContact CG-CD1 4.4Å; M60-I64 HydrophobicContact CG-CD1 3.89Å; M60-I64 WeakPolarHBondContact O-CG1 3.39Å; M60-I64 PolarHBondContact O-N 3.31Å; M60-I64 HydrophobicContact SD-CD1 4.02Å; M60-I64 HydrophobicContact SD-CG1 4.14Å; I61-I64 PolarHBondContact O-N 2.94Å; I64-V67 WeakPolarHBondContact O-CB 3.22Å; I64-V67 PolarHBondContact O-N 3.34Å; I64-A68 PolarHBondContact O-N 2.96Å; I64-F73 HydrophobicContact CG2-CE1 4.19Å; I64-F73 HydrophobicContact CG2-CZ 3.74Å; I64-L81 HydrophobicContact CD1-CD2 3.8Å; I64-L81 HydrophobicContact CG2-CD1 3.73Å; I64-L81 HydrophobicContact CG2-CD2 4.46Å
65C86.9Confident88.5Confident13 Ų1378.7 Ų78.79%0.08839%0.39CS..Hα-helixtrans-65.1-39.6175.4-58.40000112.4I61 G62 Q63 V67 A68 K69 C113I61-C65 PolarHBondContact O-N 3.09Å; I61-C65 PolarHBondContact O-SG 3.15Å; G62-C65 WeakPolarHBondContact O-CB 3.42Å; G62-C65 PolarHBondContact O-N 3.12Å; Q63-C65 VanDerWaalsContact C-N 3.27Å; Q63-C65 PolarHBondContact O-N 3.36Å; C65-V67 VanDerWaalsContact C-N 3.29Å; C65-V67 PolarHBondContact O-N 3.13Å; C65-A68 WeakPolarHBondContact O-CB 2.93Å; C65-A68 PolarHBondContact O-N 3.25Å; C65-K69 PolarHBondContact O-N 3.1Å; C65-C113 HydrophobicContact CB-CB 3.72Å; C65-C113 WeakPolarHBondContact CB-SG 3.36Å; C65-C113 WeakPolarHBondContact SG-CB 3.49Å; C65-C113 CovalentContact SG-SG 2.02Å; C65-C113 PolarHBondContact SG-SG 3.21Å
66E87.4Confident88.4Confident111 Ų11178.1 Ų78.152%0.51938%0.383SS..Hα-helixtrans-63.8-36.4173.7-65.4-51.1133.100112.1G62 Q63 K69G62-E66 PolarHBondContact O-N 3.32Å; G62-E66 VanDerWaalsContact O-N 3.11Å; Q63-E66 PolarHBondContact O-N 3.34Å; E66-K69 PolarHBondContact O-N 3.45Å; E66-K69 IonicContact OE1-NZ 2.71Å; E66-K69 PolarHBondContact OE1-NZ 2.91Å; E66-K69 IonicContact OE2-NZ 3.28Å; E66-K69 PolarHBondContact OE2-NZ 3.31Å
67V87.6Confident88.2Confident33 Ų3373.5 Ų73.520%0.236%0.359CS..Hα-helixtrans-64.6-44174172.40000111.2F38 Q63 I64 C65 K69 T70 K71 F73F38-V67 HydrophobicContact CB-CG1 3.79Å; F38-V67 HydrophobicContact CD1-CG1 3.86Å; F38-V67 HydrophobicContact CD2-CG1 3.51Å; F38-V67 HydrophobicContact CD2-CG2 4.48Å; F38-V67 HydrophobicContact CE1-CG1 4.22Å; F38-V67 HydrophobicContact CE2-CG1 3.95Å; F38-V67 HydrophobicContact CE2-CG2 4.13Å; F38-V67 HydrophobicContact CG-CG1 3.44Å; F38-V67 VanDerWaalsContact CG-CG1 3.44Å; F38-V67 HydrophobicContact CZ-CG1 4.26Å; F38-V67 HydrophobicContact CZ-CG2 4.29Å; Q63-V67 WeakPolarHBondContact O-CG2 3.46Å; Q63-V67 PolarHBondContact O-N 3.46Å; Q63-V67 VanDerWaalsContact O-N 3.12Å; I64-V67 WeakPolarHBondContact O-CB 3.22Å; I64-V67 PolarHBondContact O-N 3.34Å; C65-V67 VanDerWaalsContact C-N 3.29Å; C65-V67 PolarHBondContact O-N 3.13Å; V67-K69 PolarHBondContact O-N 3Å; V67-K69 VanDerWaalsContact O-N 3.12Å; V67-T70 PolarHBondContact O-N 3.49Å; V67-T70 PolarHBondContact O-OG1 3.18Å; V67-K71 HydrophobicContact CG1-CB 4.14Å; V67-K71 HydrophobicContact CG1-CD 4.37Å; V67-K71 PolarHBondContact O-N 3.42Å; V67-F73 HydrophobicContact CG1-CE1 4.04Å; V67-F73 HydrophobicContact CG1-CZ 4.42Å
68A85.9Confident87.9Confident29 Ų2975.5 Ų75.524%0.2437%0.372CS..Hα-helixtrans-58.4-26.7-179.100000113.4I64 C65 T70 F73I64-A68 PolarHBondContact O-N 2.96Å; C65-A68 WeakPolarHBondContact O-CB 2.93Å; C65-A68 PolarHBondContact O-N 3.25Å; A68-T70 VanDerWaalsContact C-N 3.29Å; A68-T70 PolarHBondContact O-N 2.93Å; A68-F73 HydrophobicContact CB-CE2 3.49Å; A68-F73 VanDerWaalsContact CB-CE2 3.49Å; A68-F73 HydrophobicContact CB-CZ 3.72Å
69K84.7Confident87.7Confident140 Ų14075.3 Ų75.361%0.60937%0.369SS*.THydrogen-bonded Turntrans-69.1-25177.5-65.8174.7-168.81710113.6C65 E66 V67C65-K69 PolarHBondContact O-N 3.1Å; E66-K69 PolarHBondContact O-N 3.45Å; E66-K69 IonicContact OE1-NZ 2.71Å; E66-K69 PolarHBondContact OE1-NZ 2.91Å; E66-K69 IonicContact OE2-NZ 3.28Å; E66-K69 PolarHBondContact OE2-NZ 3.31Å; V67-K69 PolarHBondContact O-N 3Å; V67-K69 VanDerWaalsContact O-N 3.12Å
70T83.1Confident87.6Confident119 Ų11968.1 Ų68.173%0.7335%0.348SS*.THydrogen-bonded Turntrans-125.3-17.2-168.760.30000113.8V67 A68V67-T70 PolarHBondContact O-N 3.49Å; V67-T70 PolarHBondContact O-OG1 3.18Å; A68-T70 VanDerWaalsContact C-N 3.29Å; A68-T70 PolarHBondContact O-N 2.93Å
71K84.1Confident87.4Confident93 Ų9367.8 Ų67.840%0.40435%0.347SS..  trans-129.4142-178.4-62.3-167.4178.2-177.70111.1F38 V67F38-K71 HydrophobicContact CB-CB 4.28Å; F38-K71 HydrophobicContact CB-CD 4.35Å; F38-K71 HydrophobicContact CD2-CD 4.49Å; V67-K71 HydrophobicContact CG1-CB 4.14Å; V67-K71 HydrophobicContact CG1-CD 4.37Å; V67-K71 PolarHBondContact O-N 3.42Å
72K84.3Confident87.2Confident124 Ų12469.3 Ų69.354%0.53935%0.35SS..PPolyproline II helixtrans-70.7141.7161.7-89.7-168.4169.6-174.70109.6E37 F38E37-K72 CarbonylContact C-O 3.59Å; E37-K72 WeakPolarHBondContact CA-O 3.33Å; F38-K72 PolarHBondContact N-O 3.01Å
73F86.9Confident87.1Confident35 Ų3575.6 Ų75.615%0.15437%0.368CS..BIsolated β-bridgetrans-81155.1166.9-66.3-64.3000110.5F38 I40 I64 V67 A68 A77 V78F38-F73 HydrophobicContact CB-CD1 3.87Å; F38-F73 HydrophobicContact CB-CE1 4.13Å; F38-F73 AromaticContact CD1-CD1 3.65Å; F38-F73 HydrophobicContact CD1-CD1 3.65Å; F38-F73 AromaticContact CD1-CE1 3.43Å; F38-F73 HydrophobicContact CD1-CE1 3.43Å; F38-F73 VanDerWaalsContact CD1-CE1 3.43Å; F38-F73 HydrophobicContact CE1-CE1 4.14Å; F38-F73 HydrophobicContact CG-CD1 4.21Å; F38-F73 HydrophobicContact CG-CE1 4.11Å; I40-F73 HydrophobicContact CD1-CD1 3.96Å; I40-F73 HydrophobicContact CD1-CE1 3.94Å; I40-F73 HydrophobicContact CG1-CD1 4.38Å; I64-F73 HydrophobicContact CG2-CE1 4.19Å; I64-F73 HydrophobicContact CG2-CZ 3.74Å; V67-F73 HydrophobicContact CG1-CE1 4.04Å; V67-F73 HydrophobicContact CG1-CZ 4.42Å; A68-F73 HydrophobicContact CB-CE2 3.49Å; A68-F73 VanDerWaalsContact CB-CE2 3.49Å; A68-F73 HydrophobicContact CB-CZ 3.72Å; F73-A77 HydrophobicContact CB-CB 3.77Å; F73-A77 HydrophobicContact CG-CB 4.41Å; F73-V78 HydrophobicContact CB-CG2 4.41Å; F73-V78 HydrophobicContact CD2-CG2 4.08Å
74E88.8Confident87Confident61 Ų6171.7 Ų71.729%0.28535%0.353SS..PPolyproline II helixtrans-60.6166.316965.1178.7165.700112.1F38 I40 H76 A77F38-E74 PolarHBondContact O-N 3.02Å; F38-E74 VanDerWaalsContact O-N 3.16Å; I40-E74 PolarHBondContact N-OE1 3.03Å; E74-H76 PolarHBondContact O-N 3.11Å; E74-A77 HydrophobicContact CG-CB 3.57Å; E74-A77 WeakPolarHBondContact O-CB 3.02Å; E74-A77 PolarHBondContact O-N 2.66Å
75E84.6Confident86.8Confident156 Ų15672.1 Ų72.173%0.72936%0.357SS*.THydrogen-bonded Turntrans-56.6137.6173-165.7173.788.200110.7A77E75-A77 PolarHBondContact O-N 2.93Å
76H85.9Confident86.7Confident118 Ų11873.2 Ų73.255%0.54637%0.367SS..THydrogen-bonded Turntrans66.4-5.1-179.5-53-50.2000117.8E74 V78 E79 A80E74-H76 PolarHBondContact O-N 3.11Å; H76-V78 VanDerWaalsContact C-N 3.28Å; H76-V78 PolarHBondContact O-N 2.02Å; H76-E79 VanDerWaalsContact CA-OE2 3.23Å; H76-E79 WeakPolarHBondContact CA-OE2 3.5Å; H76-E79 IonicContact ND1-OE1 2.77Å; H76-E79 PolarHBondContact O-N 3.26Å; H76-A80 PolarHBondContact O-N 3.39Å
77A88.8Confident86.6Confident2 Ų271.2 Ų71.22%0.01736%0.36CS..Hα-helixtrans-58.7-41.2178.600000112.8I40 F73 E74 E75 A80 L81I40-A77 HydrophobicContact CB-CB 4.12Å; I40-A77 HydrophobicContact CG1-CB 3.35Å; F73-A77 HydrophobicContact CB-CB 3.77Å; F73-A77 HydrophobicContact CG-CB 4.41Å; E74-A77 HydrophobicContact CG-CB 3.57Å; E74-A77 WeakPolarHBondContact O-CB 3.02Å; E74-A77 PolarHBondContact O-N 2.66Å; E75-A77 PolarHBondContact O-N 2.93Å; A77-A80 PolarHBondContact O-N 3.28Å; A77-L81 WeakPolarHBondContact O-CB 3.37Å; A77-L81 VanDerWaalsContact O-CG 3.26Å; A77-L81 WeakPolarHBondContact O-CG 3.33Å; A77-L81 PolarHBondContact O-N 3.28Å
78V85.8Confident86.3Confident52 Ų5271 Ų7132%0.31536%0.358SS..Hα-helixtrans-59-48.4177.9161.60000109.8F73 H76 A80 L81 W82 L109F73-V78 HydrophobicContact CB-CG2 4.41Å; F73-V78 HydrophobicContact CD2-CG2 4.08Å; H76-V78 VanDerWaalsContact C-N 3.28Å; H76-V78 PolarHBondContact O-N 2.02Å; V78-A80 PolarHBondContact O-N 3.11Å; V78-L81 PolarHBondContact O-N 2.71Å; V78-W82 PolarHBondContact O-N 3.22Å; V78-L109 HydrophobicContact CB-CD1 4.19Å; V78-L109 HydrophobicContact CB-CD2 3.96Å; V78-L109 HydrophobicContact CG1-CB 4.33Å; V78-L109 HydrophobicContact CG1-CD1 3.09Å; V78-L109 HydrophobicContact CG1-CD2 3.61Å; V78-L109 HydrophobicContact CG1-CG 3.76Å; V78-L109 HydrophobicContact CG2-CD2 4.21Å; V78-L109 WeakPolarHBondContact O-CD1 3.47Å; V78-L109 WeakPolarHBondContact O-CD2 3.34Å
79E84.8Confident85.7Confident91 Ų9173.3 Ų73.343%0.42537%0.365SS..Hα-helixtrans-65.8-37.5177.6-63.792.9133.200112.7H76 K83H76-E79 VanDerWaalsContact CA-OE2 3.23Å; H76-E79 WeakPolarHBondContact CA-OE2 3.5Å; H76-E79 IonicContact ND1-OE1 2.77Å; H76-E79 PolarHBondContact O-N 3.26Å; E79-K83 WeakPolarHBondContact O-CG 3.48Å; E79-K83 PolarHBondContact O-N 3.46Å; E79-K83 VanDerWaalsContact O-N 3.11Å
80A90.6Very high84.8Confident32 Ų3272.1 Ų72.126%0.26436%0.362SS..Hα-helixtrans-65.1-45.6175.600000111.6L45 H76 A77 V78 K83 A84L45-A80 HydrophobicContact CD1-CB 4.49Å; L45-A80 HydrophobicContact CD2-CB 4.28Å; H76-A80 PolarHBondContact O-N 3.39Å; A77-A80 PolarHBondContact O-N 3.28Å; V78-A80 PolarHBondContact O-N 3.11Å; A80-K83 PolarHBondContact O-N 3.03Å; A80-A84 PolarHBondContact O-N 3.35Å; A80-A84 VanDerWaalsContact O-N 3.09Å
81L90.8Very high83.2Confident12 Ų1269.4 Ų69.46%0.06335%0.346CS..Hα-helixtrans-60.8-45.8175.9-72.9173000111.7I40 I44 L45 L48 I64 A77 V78 K83 A84 V85 L109I40-L81 HydrophobicContact CD1-CD1 3.85Å; I40-L81 HydrophobicContact CD1-CD2 4.14Å; I40-L81 HydrophobicContact CD1-CG 4.16Å; I40-L81 HydrophobicContact CG1-CD1 4.14Å; I40-L81 HydrophobicContact CG1-CD2 4.48Å; I40-L81 HydrophobicContact CG1-CG 4.17Å; I40-L81 HydrophobicContact CG2-CD2 4.06Å; I40-L81 HydrophobicContact CG2-CG 4.34Å; I44-L81 HydrophobicContact CG2-CD2 4.49Å; L45-L81 HydrophobicContact CD2-CD2 4.48Å; L48-L81 HydrophobicContact CD1-CD2 3.44Å; L48-L81 VanDerWaalsContact CD1-CD2 3.44Å; I64-L81 HydrophobicContact CD1-CD2 3.8Å; I64-L81 HydrophobicContact CG2-CD1 3.73Å; I64-L81 HydrophobicContact CG2-CD2 4.46Å; A77-L81 WeakPolarHBondContact O-CB 3.37Å; A77-L81 VanDerWaalsContact O-CG 3.26Å; A77-L81 WeakPolarHBondContact O-CG 3.33Å; A77-L81 PolarHBondContact O-N 3.28Å; V78-L81 PolarHBondContact O-N 2.71Å; L81-K83 VanDerWaalsContact C-N 3.34Å; L81-K83 PolarHBondContact O-N 3.41Å; L81-A84 PolarHBondContact O-N 3.13Å; L81-A84 VanDerWaalsContact O-N 3.13Å; L81-V85 WeakPolarHBondContact O-CG2 3.42Å; L81-V85 PolarHBondContact O-N 3.42Å; L81-L109 HydrophobicContact CB-CD2 4.29Å
82W86.6Confident81.8Confident81 Ų8172.6 Ų72.631%0.30736%0.363SS..Hα-helixtrans-57.3-47.5177.5176.7-100.2000111.8V78 A84 V85 A86 L89 R108 L109V78-W82 PolarHBondContact O-N 3.22Å; W82-A84 VanDerWaalsContact C-N 3.27Å; W82-A84 PolarHBondContact O-N 3.09Å; W82-V85 PolarHBondContact O-N 3.36Å; W82-A86 WeakPolarHBondContact O-CB 3.43Å; W82-A86 PolarHBondContact O-N 3.2Å; W82-L89 HydrophobicContact CE3-CD1 3.89Å; W82-L89 HydrophobicContact CH2-CD1 3.17Å; W82-L89 HydrophobicContact CZ2-CD1 3.96Å; W82-L89 HydrophobicContact CZ3-CD1 3.1Å; W82-R108 HydrophobicContact CH2-CB 3.82Å; W82-R108 HydrophobicContact CZ2-CB 4.11Å; W82-R108 HydrophobicContact CZ3-CB 4.09Å; W82-R108 WeakPolarHBondContact CZ3-O 3.35Å; W82-L109 HydrophobicContact CB-CD1 3.83Å; W82-L109 HydrophobicContact CB-CG 4.27Å; W82-L109 HydrophobicContact CE3-CG 4.47Å; W82-L109 HydrophobicContact CG-CD1 4.46Å
83K87.1Confident80.2Confident165 Ų16573 Ų7372%0.71736%0.361SS*.Hα-helixtrans-59.7-38.4177.1-73.2172.1-177174.40112.1E79 A80 L81 V85E79-K83 WeakPolarHBondContact O-CG 3.48Å; E79-K83 PolarHBondContact O-N 3.46Å; E79-K83 VanDerWaalsContact O-N 3.11Å; A80-K83 PolarHBondContact O-N 3.03Å; L81-K83 VanDerWaalsContact C-N 3.34Å; L81-K83 PolarHBondContact O-N 3.41Å; K83-V85 VanDerWaalsContact C-N 3.29Å; K83-V85 PolarHBondContact O-N 2.95Å
84A90.9Very high78.2Confident24 Ų2475.5 Ų75.520%0.19838%0.38CS..Hα-helixtrans-69.9-22-179.100000114.1L45 L48 R57 A80 L81 W82L45-A84 HydrophobicContact CD2-CB 4.15Å; L48-A84 HydrophobicContact CB-CB 4.02Å; L48-A84 HydrophobicContact CD1-CB 4.41Å; R57-A84 PolarHBondContact NH2-O 2.94Å; A80-A84 PolarHBondContact O-N 3.35Å; A80-A84 VanDerWaalsContact O-N 3.09Å; L81-A84 PolarHBondContact O-N 3.13Å; L81-A84 VanDerWaalsContact O-N 3.13Å; W82-A84 VanDerWaalsContact C-N 3.27Å; W82-A84 PolarHBondContact O-N 3.09Å
85V88.1Confident76.2Confident23 Ų2378.1 Ų78.114%0.13940%0.396CS..Hα-helixtrans-118.92.7-176.6-52.90000114L48 I61 L81 W82 K83 D87 L88L48-V85 HydrophobicContact CB-CG1 4.48Å; L48-V85 HydrophobicContact CD1-CG1 4.37Å; L48-V85 HydrophobicContact CD2-CG1 4.12Å; I61-V85 HydrophobicContact CD1-CB 4.42Å; I61-V85 HydrophobicContact CD1-CG1 3.89Å; I61-V85 HydrophobicContact CG1-CG1 4.11Å; L81-V85 WeakPolarHBondContact O-CG2 3.42Å; L81-V85 PolarHBondContact O-N 3.42Å; W82-V85 PolarHBondContact O-N 3.36Å; K83-V85 VanDerWaalsContact C-N 3.29Å; K83-V85 PolarHBondContact O-N 2.95Å; V85-D87 PolarHBondContact O-N 3.15Å; V85-L88 HydrophobicContact CB-CD1 4.27Å; V85-L88 VanDerWaalsContact O-CB 3.32Å; V85-L88 WeakPolarHBondContact O-CB 3.18Å; V85-L88 PolarHBondContact O-N 2.85Å
86A85.1Confident74.6Confident37 Ų3778.1 Ų78.131%0.30640%0.396SS..G310 helixtrans-59.7-30.6-175.100000113.2W82 L88 L89W82-A86 WeakPolarHBondContact O-CB 3.43Å; W82-A86 PolarHBondContact O-N 3.2Å; A86-L88 PolarHBondContact O-N 2.73Å; A86-L89 PolarHBondContact O-N 3.2Å; A86-L89 VanDerWaalsContact O-N 3.15Å
87D84.1Confident72.7Confident68 Ų6875 Ų7536%0.36439%0.39SS..G310 helixtrans-62-31175.266.1-61.1000112.4R57 V85 L89R57-D87 IonicContact CZ-OD1 3.65Å; R57-D87 IonicContact CZ-OD2 3.45Å; R57-D87 IonicContact NH1-OD1 3.71Å; R57-D87 IonicContact NH1-OD2 2.73Å; R57-D87 PolarHBondContact NH1-OD2 3.13Å; R57-D87 IonicContact NH2-OD1 2.66Å; R57-D87 PolarHBondContact NH2-OD1 3.34Å; R57-D87 IonicContact NH2-OD2 3.58Å; R57-D87 PolarHBondContact NH2-OD2 2.96Å; V85-D87 PolarHBondContact O-N 3.15Å; D87-L89 PolarHBondContact O-N 3.36Å
88L81.9Confident70.9Confident30 Ų3081.8 Ų81.816%0.15742%0.415CS..G310 helixtrans-69.2-16.9178.8-59.2-178.6000112.7L54 I61 V85 A86 R93L54-L88 HydrophobicContact CD1-CD2 3.56Å; I61-L88 HydrophobicContact CD1-CD1 3.81Å; V85-L88 HydrophobicContact CB-CD1 4.27Å; V85-L88 VanDerWaalsContact O-CB 3.32Å; V85-L88 WeakPolarHBondContact O-CB 3.18Å; V85-L88 PolarHBondContact O-N 2.85Å; A86-L88 PolarHBondContact O-N 2.73Å; L88-R93 PolarHBondContact O-NH2 3.21Å
89L72.7Confident68.9Low77 Ų7787.2 Ų87.240%0.40344%0.442SS..G310 helixtrans-103.20.7-171.5-55.8176.7000114W82 A86 D87W82-L89 HydrophobicContact CE3-CD1 3.89Å; W82-L89 HydrophobicContact CH2-CD1 3.17Å; W82-L89 HydrophobicContact CZ2-CD1 3.96Å; W82-L89 HydrophobicContact CZ3-CD1 3.1Å; A86-L89 PolarHBondContact O-N 3.2Å; A86-L89 VanDerWaalsContact O-N 3.15Å; D87-L89 PolarHBondContact O-N 3.36Å
90Q65.8Low67Low115 Ų11590.8 Ų90.854%0.53745%0.451SS..  trans-65.4139-176.7-68.9-168.5-11.400113E92Q90-E92 VanDerWaalsContact C-N 3.31Å; Q90-E92 WeakPolarHBondContact CB-OE2 3.31Å; Q90-E92 PolarHBondContact O-N 2.99Å
91P50.4Low65.1Low61 Ų6192.7 Ų92.740%0.39646%0.455SS..THydrogen-bonded Turntrans-80.36.6-168.232.9-36.8000115.9R93 R98P91-R93 PolarHBondContact O-N 2.98Å; P91-R93 VanDerWaalsContact O-N 3.07Å; P91-R98 HydrophobicContact CB-CG 4.36Å
92E54Low62.9Low161 Ų161101.5 Ų101.575%0.75250%0.496SS*.THydrogen-bonded Turntrans-63.6-4.1164.4-71.866.9-14900112Q90Q90-E92 VanDerWaalsContact C-N 3.31Å; Q90-E92 WeakPolarHBondContact CB-OE2 3.31Å; Q90-E92 PolarHBondContact O-N 2.99Å
93R50.7Low60.9Low132 Ų13299.2 Ų99.250%0.49849%0.494SS..SBendtrans-84.3149.8168.5-59.8-136.4-143.6-167.311.1112.2L88 P91L88-R93 PolarHBondContact O-NH2 3.21Å; P91-R93 PolarHBondContact O-N 2.98Å; P91-R93 VanDerWaalsContact O-N 3.07Å
94P45.6Very low58.8Low87 Ų8795.4 Ų95.457%0.56549%0.486SS*.  trans-47.8150.5-170.9-26.229.4000115.9E96 A97P94-E96 VanDerWaalsContact CB-OE2 3.29Å; P94-E96 WeakPolarHBondContact CB-OE2 3.32Å; P94-E96 PolarHBondContact O-N 3.11Å; P94-A97 WeakPolarHBondContact O-CB 2.84Å; P94-A97 PolarHBondContact O-N 3.39Å
95L46.7Very low56.7Low116 Ų116100.9 Ų100.961%0.60752%0.52SS*.G310 helixtrans-53-24.8-171.9-168.867.7000114.7A97 R98L95-A97 PolarHBondContact O-N 2.91Å; L95-R98 HydrophobicContact CD1-CB 4.34Å; L95-R98 WeakPolarHBondContact O-CB 3.48Å; L95-R98 PolarHBondContact O-N 3.38Å
96E50.1Low54.8Low157 Ų157103.4 Ų103.473%0.73455%0.55SS**G310 helixtrans-62.8-23174.8-53.197.2-168.800113P94P94-E96 VanDerWaalsContact CB-OE2 3.29Å; P94-E96 WeakPolarHBondContact CB-OE2 3.32Å; P94-E96 PolarHBondContact O-N 3.11Å
97A46.4Very low52.8Low52 Ų52108.1 Ų108.143%0.4357%0.566SS.*G310 helixtrans-81.3-14.7176.400000113.6P94 L95P94-A97 WeakPolarHBondContact O-CB 2.84Å; P94-A97 PolarHBondContact O-N 3.39Å; L95-A97 PolarHBondContact O-N 2.91Å
98R50.5Low51.2Low144 Ų144110.2 Ų110.254%0.54357%0.569SS.*G310 helixtrans-84.7-26.1-171.5-70.9174.148173.2-0.9114P91 L95 R100P91-R98 HydrophobicContact CB-CG 4.36Å; L95-R98 HydrophobicContact CD1-CB 4.34Å; L95-R98 WeakPolarHBondContact O-CB 3.48Å; L95-R98 PolarHBondContact O-N 3.38Å; R98-R100 PolarHBondContact O-N 2.78Å; R98-R100 VanDerWaalsContact O-N 3.08Å
99L43.9Very low49.5Very low167 Ų167111 Ų11187%0.87457%0.573SS**G310 helixtrans-73.85-178-76.3167.5000115
100R46Very low48.4Very low165 Ų165109.4 Ų109.462%0.62357%0.568SS**G310 helixtrans-1107.8-178-84.6-175.1168.6115.7-3.8114.9R98 V111R98-R100 PolarHBondContact O-N 2.78Å; R98-R100 VanDerWaalsContact O-N 3.08Å; R100-V111 HydrophobicContact CB-CG1 4.19Å; R100-V111 HydrophobicContact CG-CG1 4.15Å
101Q50.5Low47.5Very low72 Ų72106.8 Ų106.834%0.33656%0.56SS.*  trans-107.13.2-162.1-61.9-169.6-8.600116.3A103 R108Q101-A103 VanDerWaalsContact C-N 3.33Å; Q101-A103 PolarHBondContact O-N 2.77Å; Q101-R108 VanDerWaalsContact O-CZ 3.25Å; Q101-R108 PolarHBondContact O-NE 3.07Å; Q101-R108 PolarHBondContact O-NH2 2.98Å
102E44.7Very low47.1Very low198 Ų198111.1 Ų111.193%0.92557%0.574SS**  trans-83.666.8177.8-68-73.5119.200112
103A44.8Very low46.5Very low32 Ų32106 Ų10626%0.26456%0.556SS.*  trans-123.3138.7168.800000112.2Q101 R108Q101-A103 VanDerWaalsContact C-N 3.33Å; Q101-A103 PolarHBondContact O-N 2.77Å; A103-R108 HydrophobicContact CB-CG 3.96Å; A103-R108 PolarHBondContact O-NE 2.91Å; A103-R108 PolarHBondContact O-NH2 3.06Å
104P41.7Very low46Very low85 Ų85104.3 Ų104.355%0.55256%0.556SS**  trans-70164.9-175.827.4-32.8000113.2G106 Q107P104-G106 PolarHBondContact O-N 3.47Å; P104-Q107 PolarHBondContact O-N 3.3Å; P104-Q107 VanDerWaalsContact O-N 3.13Å
105P48Very low45.7Very low140 Ų140110.1 Ų110.191%0.90958%0.575SS**THydrogen-bonded Turntrans-68.42-157.624.6-33.8000116.7
106G48.1Very low45.6Very low76 Ų76109.8 Ų109.878%0.78457%0.574SS**THydrogen-bonded Turntrans-1092.2175.400000115.8P104P104-G106 PolarHBondContact O-N 3.47Å
107Q43Very low45.4Very low136 Ų136107.3 Ų107.364%0.63657%0.565SS**  trans-13311.3-170.4-79.4179.462.200115.6P104 L109P104-Q107 PolarHBondContact O-N 3.3Å; P104-Q107 VanDerWaalsContact O-N 3.13Å; Q107-L109 PolarHBondContact O-N 3.21Å
108R49.8Very low45.3Very low111 Ų111110.4 Ų110.442%0.41957%0.573SS.*THydrogen-bonded Turntrans-82.62.1-172.6-87.8-171.8-170.5-176.42.2117.1W82 Q101 A103 C110W82-R108 HydrophobicContact CH2-CB 3.82Å; W82-R108 HydrophobicContact CZ2-CB 4.11Å; W82-R108 HydrophobicContact CZ3-CB 4.09Å; W82-R108 WeakPolarHBondContact CZ3-O 3.35Å; Q101-R108 VanDerWaalsContact O-CZ 3.25Å; Q101-R108 PolarHBondContact O-NE 3.07Å; Q101-R108 PolarHBondContact O-NH2 2.98Å; A103-R108 HydrophobicContact CB-CG 3.96Å; A103-R108 PolarHBondContact O-NE 2.91Å; A103-R108 PolarHBondContact O-NH2 3.06Å; R108-C110 PolarHBondContact O-N 3.02Å; R108-C110 VanDerWaalsContact O-N 3.11Å
109L46.8Very low45Very low48 Ų48108.4 Ų108.425%0.25158%0.575SS.*THydrogen-bonded Turntrans-68-8.5170.3-89.284.1000114V78 L81 W82 Q107 L114V78-L109 HydrophobicContact CB-CD1 4.19Å; V78-L109 HydrophobicContact CB-CD2 3.96Å; V78-L109 HydrophobicContact CG1-CB 4.33Å; V78-L109 HydrophobicContact CG1-CD1 3.09Å; V78-L109 HydrophobicContact CG1-CD2 3.61Å; V78-L109 HydrophobicContact CG1-CG 3.76Å; V78-L109 HydrophobicContact CG2-CD2 4.21Å; V78-L109 WeakPolarHBondContact O-CD1 3.47Å; V78-L109 WeakPolarHBondContact O-CD2 3.34Å; L81-L109 HydrophobicContact CB-CD2 4.29Å; W82-L109 HydrophobicContact CB-CD1 3.83Å; W82-L109 HydrophobicContact CB-CG 4.27Å; W82-L109 HydrophobicContact CE3-CG 4.47Å; W82-L109 HydrophobicContact CG-CD1 4.46Å; Q107-L109 PolarHBondContact O-N 3.21Å; L109-L114 HydrophobicContact CB-CD1 4Å
110C49.7Very low45.1Very low43 Ų43104.8 Ų104.829%0.29156%0.556SS.*  trans-119.9102.2-161.9-40.60000109R108 L114R108-C110 PolarHBondContact O-N 3.02Å; R108-C110 VanDerWaalsContact O-N 3.11Å; C110-L114 HydrophobicContact CB-CB 3.37Å; C110-L114 HydrophobicContact CB-CD1 4.5Å; C110-L114 HydrophobicContact CB-CG 4.49Å; C110-L114 WeakPolarHBondContact SG-CB 3.29Å; C110-L114 WeakPolarHBondContact SG-CD1 3.46Å
111V46.2Very low45.1Very low60 Ų60100.7 Ų100.736%0.36455%0.552SS.*SBendtrans-130-19.7144.6-164.40000112.1R100 Q115R100-V111 HydrophobicContact CB-CG1 4.19Å; R100-V111 HydrophobicContact CG-CG1 4.15Å; V111-Q115 PolarHBondContact O-NE2 3.08Å
112H41.9Very low44.7Very low151 Ų151102.8 Ų102.870%0.69957%0.567SS**SBendtrans-142.4-4.5175.2-138.2-73.8000116.5
113C41.2Very low44.7Very low54 Ų5495.5 Ų95.537%0.36554%0.539SS..SBendtrans-105.9-8.8171.3-87.30000114.6C65C65-C113 HydrophobicContact CB-CB 3.72Å; C65-C113 WeakPolarHBondContact CB-SG 3.36Å; C65-C113 WeakPolarHBondContact SG-CB 3.49Å; C65-C113 CovalentContact SG-SG 2.02Å; C65-C113 PolarHBondContact SG-SG 3.21Å
114L40.4Very low44.7Very low97 Ų97100.8 Ų100.851%0.50856%0.562SS.*  trans-133.946178.2-92.1137.9000109L109 C110L109-L114 HydrophobicContact CB-CD1 4Å; C110-L114 HydrophobicContact CB-CB 3.37Å; C110-L114 HydrophobicContact CB-CD1 4.5Å; C110-L114 HydrophobicContact CB-CG 4.49Å; C110-L114 WeakPolarHBondContact SG-CB 3.29Å; C110-L114 WeakPolarHBondContact SG-CD1 3.46Å
115Q39.1Very low44.9Very low208 Ų208102.2 Ų102.297%0.97256%0.563SS**  trans-116.70169.2-151166.295.100107.3V111V111-Q115 PolarHBondContact O-NE2 3.08Å

Retrieved 115 of 115 residues in 20.9 ms (Link to these results)