A0A077ZC49_TRITR Loading...

Acyl carrier protein

Carrier of the growing fatty acid chain in fatty acid biosynthesis.

AlphaFold DB , UniProt , Accession A0A077ZC49, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 148 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
1M51.3Low58Low145 Ų145101.3 Ų101.371%0.71451%0.511SS*.  0127.60-74.3-168.3-166.900108.8Q5 R9M1-Q5 HydrophobicContact CB-CB 4.28Å; M1-R9 VanDerWaalsContact CE-CZ 3.47Å
2S60.8Low58Low62 Ų62102.1 Ų102.143%0.43451%0.511SS..  trans-61.6150176.6168.90000110.7I4 Q5 Q6S2-I4 PolarHBondContact O-N 3.5Å; S2-I4 PolarHBondContact OG-N 3.08Å; S2-Q5 VanDerWaalsContact N-OE1 3.12Å; S2-Q5 WeakPolarHBondContact O-CA 3.41Å; S2-Q5 WeakPolarHBondContact O-CB 3.48Å; S2-Q5 PolarHBondContact O-N 3.36Å; S2-Q6 PolarHBondContact O-N 3.23Å
3R56.4Low58.1Low224 Ų224109.4 Ų109.485%0.84553%0.529SS*.Hα-helixtrans-51.1-29.3173.1-78.5-177.4165177.1-3.9112.1Q6 A7R3-Q6 PolarHBondContact O-N 3.34Å; R3-A7 PolarHBondContact O-N 3.03Å; R3-A7 VanDerWaalsContact O-N 3.14Å
4I55Low58Low115 Ų115107.8 Ų107.859%0.5952%0.524SS*.Hα-helixtrans-67-40.7175.5-60.2173.2000111.3S2 A7 F8S2-I4 PolarHBondContact O-N 3.5Å; S2-I4 PolarHBondContact OG-N 3.08Å; I4-A7 PolarHBondContact O-N 3.14Å; I4-F8 WeakPolarHBondContact O-CB 3.36Å; I4-F8 PolarHBondContact O-N 2.84Å
5Q53.5Low57.7Low101 Ų101106 Ų10647%0.47251%0.514SS..Hα-helixtrans-69-34.7178-69.8-179.7-44.500112.4M1 S2 F8 R9M1-Q5 HydrophobicContact CB-CB 4.28Å; S2-Q5 VanDerWaalsContact N-OE1 3.12Å; S2-Q5 WeakPolarHBondContact O-CA 3.41Å; S2-Q5 WeakPolarHBondContact O-CB 3.48Å; S2-Q5 PolarHBondContact O-N 3.36Å; Q5-F8 PolarHBondContact O-N 3.26Å; Q5-R9 PolarHBondContact O-N 3.41Å; Q5-R9 VanDerWaalsContact O-N 3.07Å
6Q63.9Low57.7Low132 Ų132103.8 Ų103.862%0.61751%0.513SS*.Hα-helixtrans-68.5-43.3174.8-77.9-175.8-8.300111.9S2 R3 F8 R9 G10S2-Q6 PolarHBondContact O-N 3.23Å; R3-Q6 PolarHBondContact O-N 3.34Å; Q6-F8 VanDerWaalsContact C-N 3.29Å; Q6-F8 PolarHBondContact O-N 3.42Å; Q6-R9 PolarHBondContact O-N 3.1Å; Q6-G10 PolarHBondContact O-N 3.42Å; Q6-G10 VanDerWaalsContact O-N 3.1Å
7A59.5Low57.7Low67 Ų67104.4 Ų104.455%0.55452%0.518SS*.Hα-helixtrans-61.2-38.6174.100000111.8R3 I4 G10 A11R3-A7 PolarHBondContact O-N 3.03Å; R3-A7 VanDerWaalsContact O-N 3.14Å; I4-A7 PolarHBondContact O-N 3.14Å; A7-G10 PolarHBondContact O-N 3.03Å; A7-A11 WeakPolarHBondContact O-CB 3.2Å; A7-A11 PolarHBondContact O-N 3.04Å
8F53.8Low57.8Low55 Ų55100.3 Ų100.324%0.24150%0.5CS..Hα-helixtrans-64.7-45.9177.4-168.6-98.6000113I4 Q5 Q6 G10 A11 Q12 Y50 M58I4-F8 WeakPolarHBondContact O-CB 3.36Å; I4-F8 PolarHBondContact O-N 2.84Å; Q5-F8 PolarHBondContact O-N 3.26Å; Q6-F8 VanDerWaalsContact C-N 3.29Å; Q6-F8 PolarHBondContact O-N 3.42Å; F8-G10 VanDerWaalsContact C-N 3.32Å; F8-G10 PolarHBondContact O-N 3.32Å; F8-A11 WeakPolarHBondContact O-CB 3.49Å; F8-A11 PolarHBondContact O-N 3.44Å; F8-Q12 HydrophobicContact CD1-CG 4.33Å; F8-Q12 VanDerWaalsContact CE1-CD 3.42Å; F8-Q12 HydrophobicContact CE1-CG 4.06Å; F8-Q12 HydrophobicContact CZ-CG 4.46Å; F8-Q12 PolarHBondContact O-N 3.45Å; F8-Y50 HydrophobicContact CE2-CD2 4.24Å; F8-Y50 AromaticContact CE2-CE2 3.67Å; F8-Y50 HydrophobicContact CE2-CE2 3.67Å; F8-Y50 HydrophobicContact CZ-CE2 4.04Å; F8-M58 HydrophobicContact CE1-CE 4.31Å; F8-M58 HydrophobicContact CE2-CE 3.9Å; F8-M58 HydrophobicContact CZ-CE 3.72Å; F8-M58 HydrophobicContact CZ-SD 4.23Å
9R59.7Low57.8Low152 Ų152104 Ų10457%0.57451%0.507SS*.Hα-helixtrans-63.2-38175.6-74.6-174.6-178-160.8-2.3112.3M1 Q5 Q6 R13M1-R9 VanDerWaalsContact CE-CZ 3.47Å; Q5-R9 PolarHBondContact O-N 3.41Å; Q5-R9 VanDerWaalsContact O-N 3.07Å; Q6-R9 PolarHBondContact O-N 3.1Å; R9-R13 PolarHBondContact O-N 3.3Å
10G63.6Low58Low36 Ų36103.6 Ų103.637%0.37152%0.515SS..Hα-helixtrans-63.4-41.7174.600000112.5Q6 A7 F8 R13 L14Q6-G10 PolarHBondContact O-N 3.42Å; Q6-G10 VanDerWaalsContact O-N 3.1Å; A7-G10 PolarHBondContact O-N 3.03Å; F8-G10 VanDerWaalsContact C-N 3.32Å; F8-G10 PolarHBondContact O-N 3.32Å; G10-R13 PolarHBondContact O-N 3.1Å; G10-L14 PolarHBondContact O-N 3.36Å
11A61Low58.1Low25 Ų25100.7 Ų100.721%0.20751%0.508CS..Hα-helixtrans-63.5-43.9176.400000113.1A7 F8 R13 L14 H15 Q46A7-A11 WeakPolarHBondContact O-CB 3.2Å; A7-A11 PolarHBondContact O-N 3.04Å; F8-A11 WeakPolarHBondContact O-CB 3.49Å; F8-A11 PolarHBondContact O-N 3.44Å; A11-R13 VanDerWaalsContact C-N 3.33Å; A11-R13 PolarHBondContact O-N 2.87Å; A11-L14 PolarHBondContact O-N 2.94Å; A11-H15 PolarHBondContact O-N 3.19Å; A11-H15 VanDerWaalsContact O-N 3.16Å; A11-Q46 HydrophobicContact CB-CG 4.35Å; A11-Q46 PolarHBondContact O-NE2 2.74Å; A11-Q46 PolarHBondContact O-OE1 3.3Å
12Q57.5Low58.2Low111 Ų111100.3 Ų100.352%0.51950%0.502SS..Hα-helixtrans-64-35.7178.7-72.6-172.9-52.600113F8 L14 H15 S16F8-Q12 HydrophobicContact CD1-CG 4.33Å; F8-Q12 VanDerWaalsContact CE1-CD 3.42Å; F8-Q12 HydrophobicContact CE1-CG 4.06Å; F8-Q12 HydrophobicContact CZ-CG 4.46Å; F8-Q12 PolarHBondContact O-N 3.45Å; Q12-L14 VanDerWaalsContact C-N 3.34Å; Q12-H15 PolarHBondContact O-N 3.41Å; Q12-S16 PolarHBondContact O-N 3.12Å
13R59Low57.9Low197 Ų197101 Ų10174%0.74351%0.505SS*.Hα-helixtrans-66.1-33.2174.9-79.4-175.3157.5-162-5.6113.1R9 G10 A11 S16 L17R9-R13 PolarHBondContact O-N 3.3Å; G10-R13 PolarHBondContact O-N 3.1Å; A11-R13 VanDerWaalsContact C-N 3.33Å; A11-R13 PolarHBondContact O-N 2.87Å; R13-S16 PolarHBondContact O-OG 2.88Å; R13-L17 WeakPolarHBondContact O-CG 3.43Å
14L57.2Low57.5Low87 Ų8796.7 Ų96.746%0.45550%0.503SS..Hα-helixtrans-73.4-36.3175.8-76.4164.2000112G10 A11 Q12 S16 L17 V18G10-L14 PolarHBondContact O-N 3.36Å; A11-L14 PolarHBondContact O-N 2.94Å; Q12-L14 VanDerWaalsContact C-N 3.34Å; L14-S16 PolarHBondContact O-N 3.47Å; L14-L17 PolarHBondContact O-N 3.1Å; L14-V18 WeakPolarHBondContact O-CG2 3.41Å; L14-V18 PolarHBondContact O-N 2.98Å; L14-V18 VanDerWaalsContact O-N 3.12Å
15H52.5Low57.4Low81 Ų8195.2 Ų95.238%0.37552%0.517SS..Hα-helixtrans-64.7-36.1178.5-175.4-119.8000113A11 Q12 R19A11-H15 PolarHBondContact O-N 3.19Å; A11-H15 VanDerWaalsContact O-N 3.16Å; Q12-H15 PolarHBondContact O-N 3.41Å; H15-R19 WeakPolarHBondContact O-CB 3.44Å; H15-R19 PolarHBondContact O-N 3.49Å; H15-R19 VanDerWaalsContact O-N 3.14Å
16S58.4Low57.7Low71 Ų7196.6 Ų96.650%0.49753%0.526SS..Hα-helixtrans-68.1-40.3175.6600000112.6Q12 R13 L14 R19 S20Q12-S16 PolarHBondContact O-N 3.12Å; R13-S16 PolarHBondContact O-OG 2.88Å; L14-S16 PolarHBondContact O-N 3.47Å; S16-R19 PolarHBondContact O-N 2.81Å; S16-S20 PolarHBondContact O-N 3.41Å; S16-S20 VanDerWaalsContact O-N 3.08Å; S16-S20 PolarHBondContact O-OG 3.11Å
17L57.8Low57.4Low114 Ų11498.6 Ų98.660%0.59754%0.54SS*.Hα-helixtrans-65.2-37.9177.8-72.4167.7000112.8R13 L14 S20 A21R13-L17 WeakPolarHBondContact O-CG 3.43Å; L14-L17 PolarHBondContact O-N 3.1Å; L17-S20 PolarHBondContact O-OG 2.91Å; L17-A21 PolarHBondContact O-N 3.01Å
18V59.4Low57.4Low31 Ų31100.4 Ų100.419%0.18853%0.532CS..Hα-helixtrans-70.3-35.2175173.30000111.2L14 A21 A43L14-V18 WeakPolarHBondContact O-CG2 3.41Å; L14-V18 PolarHBondContact O-N 2.98Å; L14-V18 VanDerWaalsContact O-N 3.12Å; V18-A21 PolarHBondContact O-N 3.45Å; V18-A43 HydrophobicContact CG1-CB 4.29Å
19R57.8Low57.9Low170 Ų170100.1 Ų100.164%0.64254%0.538SS*.Hα-helixtrans-71.2-32.3179.6-165.6175.6-177.1167.31.8112.8H15 S16 A21 K22H15-R19 WeakPolarHBondContact O-CB 3.44Å; H15-R19 PolarHBondContact O-N 3.49Å; H15-R19 VanDerWaalsContact O-N 3.14Å; S16-R19 PolarHBondContact O-N 2.81Å; R19-A21 VanDerWaalsContact C-N 3.3Å; R19-K22 WeakPolarHBondContact O-CG 3.47Å
20S61Low58.2Low96 Ų9698.3 Ų98.367%0.67155%0.545SS*.Hα-helixtrans-76.4-15.6173.456.40000113.6S16 L17S16-S20 PolarHBondContact O-N 3.41Å; S16-S20 VanDerWaalsContact O-N 3.08Å; S16-S20 PolarHBondContact O-OG 3.11Å; L17-S20 PolarHBondContact O-OG 2.91Å
21A60.1Low58.4Low43 Ų43101.7 Ų101.736%0.35556%0.559SS.*THydrogen-bonded Turntrans-93.712.1-179.600000113.8L17 V18 R19L17-A21 PolarHBondContact O-N 3.01Å; V18-A21 PolarHBondContact O-N 3.45Å; R19-A21 VanDerWaalsContact C-N 3.3Å
22K54.6Low58.4Low136 Ų136106.6 Ų106.659%0.59158%0.576SS**  trans-59130.5179.4-75.6-176.8179.6-171.70110.3R19 V24R19-K22 WeakPolarHBondContact O-CG 3.47Å; K22-V24 PolarHBondContact O-N 3.19Å
23P53.2Low58.6Low77 Ų77103.6 Ų103.650%0.557%0.57SS.*  trans-72.5118.9-177.728.4-32.4000109.8
24V49.3Very low58.9Low133 Ų13396.4 Ų96.481%0.80655%0.552SS**SBendtrans-100.1104.2157.2-178.50000106.2K22 I26K22-V24 PolarHBondContact O-N 3.19Å; V24-I26 PolarHBondContact O-N 3.45Å
25G53.1Low59.3Low85 Ų8594.2 Ų94.288%0.87655%0.547SS*.SBendtrans68.217.3158.500000120.3
26I58.1Low59.7Low129 Ų12993.4 Ų93.466%0.66254%0.541SS*.  trans-113.6129.8179.4-62168.1000110.8V24 W28V24-I26 PolarHBondContact O-N 3.45Å; I26-W28 VanDerWaalsContact O-CD1 3.29Å; I26-W28 PolarHBondContact O-N 3.03Å
27L58Low60Low175 Ų17591.7 Ų91.792%0.91654%0.535SS*.  trans-74.5111.7172-168.176000109.2
28W60.3Low60.2Low104 Ų10494.5 Ų94.539%0.39454%0.537SS..  trans-78.6143.7-178.6-79.442.8000111.2I26 K32 A33 Y36I26-W28 VanDerWaalsContact O-CD1 3.29Å; I26-W28 PolarHBondContact O-N 3.03Å; W28-K32 HydrophobicContact CB-CB 4.4Å; W28-K32 HydrophobicContact CD2-CB 4.04Å; W28-K32 HydrophobicContact CE3-CB 3.3Å; W28-K32 HydrophobicContact CE3-CG 4.49Å; W28-K32 HydrophobicContact CZ3-CB 3.7Å; W28-K32 VanDerWaalsContact CZ3-O 3.3Å; W28-K32 WeakPolarHBondContact CZ3-O 3.3Å; W28-A33 HydrophobicContact CB-CB 4.35Å; W28-Y36 HydrophobicContact CH2-CD2 4.41Å
29S63.2Low60.3Low50 Ų5097.6 Ų97.635%0.3555%0.552SS.*  trans-65.1154.3169.666.80000110.8T31 K32 A33S29-T31 PolarHBondContact O-N 3.22Å; S29-T31 VanDerWaalsContact O-N 3.08Å; S29-T31 PolarHBondContact OG-OG1 3.45Å; S29-K32 PolarHBondContact O-N 3.07Å; S29-K32 WeakPolarHBondContact OG-CG 3.24Å; S29-A33 PolarHBondContact O-N 3.46Å
30P66.5Low60.5Low114 Ų11491.1 Ų91.174%0.7453%0.532SS*.Hα-helixtrans-52.6-37.3-176.6-27.634.1000113.9A34P30-A34 PolarHBondContact O-N 3.43Å; P30-A34 VanDerWaalsContact O-N 3.11Å
31T67.3Low60.7Low107 Ų10789 Ų8966%0.65652%0.52SS*.Hα-helixtrans-69-42.8178.347.20000113S29 A35S29-T31 PolarHBondContact O-N 3.22Å; S29-T31 VanDerWaalsContact O-N 3.08Å; S29-T31 PolarHBondContact OG-OG1 3.45Å; T31-A35 PolarHBondContact O-N 3.25Å
32K61Low60.9Low128 Ų12890.8 Ų90.856%0.55753%0.526SS*.Hα-helixtrans-68.8-40.6176.6-69.2-175.4176.6178.90110.3W28 S29 A34 A35 Y36W28-K32 HydrophobicContact CB-CB 4.4Å; W28-K32 HydrophobicContact CD2-CB 4.04Å; W28-K32 HydrophobicContact CE3-CB 3.3Å; W28-K32 HydrophobicContact CE3-CG 4.49Å; W28-K32 HydrophobicContact CZ3-CB 3.7Å; W28-K32 VanDerWaalsContact CZ3-O 3.3Å; W28-K32 WeakPolarHBondContact CZ3-O 3.3Å; S29-K32 PolarHBondContact O-N 3.07Å; S29-K32 WeakPolarHBondContact OG-CG 3.24Å; K32-A34 VanDerWaalsContact C-N 3.32Å; K32-A34 PolarHBondContact O-N 3.02Å; K32-A35 WeakPolarHBondContact O-CB 3.42Å; K32-A35 PolarHBondContact O-N 3.4Å; K32-A35 VanDerWaalsContact O-N 3.1Å; K32-Y36 PolarHBondContact O-N 3.39Å
33A63.1Low61.2Low48 Ų4885 Ų8540%0.39750%0.504SS..Hα-helixtrans-59.9-41.7177.600000111.8W28 S29 A35 Y36 G37W28-A33 HydrophobicContact CB-CB 4.35Å; S29-A33 PolarHBondContact O-N 3.46Å; A33-A35 VanDerWaalsContact C-N 3.35Å; A33-A35 PolarHBondContact O-N 2.97Å; A33-Y36 PolarHBondContact O-N 3.45Å; A33-G37 PolarHBondContact O-N 2.84Å
34A65.8Low61.6Low45 Ų4586.8 Ų86.837%0.37251%0.509SS..Hα-helixtrans-65.1-34.8174.100000113.1P30 K32 R38P30-A34 PolarHBondContact O-N 3.43Å; P30-A34 VanDerWaalsContact O-N 3.11Å; K32-A34 VanDerWaalsContact C-N 3.32Å; K32-A34 PolarHBondContact O-N 3.02Å; A34-R38 WeakPolarHBondContact O-CG 3.38Å; A34-R38 PolarHBondContact O-N 2.83Å; A34-R38 VanDerWaalsContact O-N 3.12Å; A34-R38 PolarHBondContact O-NE 2.95Å
35A64.8Low62Low42 Ų4286 Ų8635%0.34750%0.496SS..Hα-helixtrans-67.6-44.2174.100000112T31 K32 A33 R38 L39T31-A35 PolarHBondContact O-N 3.25Å; K32-A35 WeakPolarHBondContact O-CB 3.42Å; K32-A35 PolarHBondContact O-N 3.4Å; K32-A35 VanDerWaalsContact O-N 3.1Å; A33-A35 VanDerWaalsContact C-N 3.35Å; A33-A35 PolarHBondContact O-N 2.97Å; A35-R38 PolarHBondContact O-N 3.34Å; A35-L39 WeakPolarHBondContact O-CG 3.42Å; A35-L39 PolarHBondContact O-N 3.28Å
36Y61.9Low62.3Low64 Ų6484.2 Ų84.225%0.25147%0.465SS..Hα-helixtrans-64.8-38.8175.1-171.8-99.4000112.1W28 K32 A33 R38 L39 T40W28-Y36 HydrophobicContact CH2-CD2 4.41Å; K32-Y36 PolarHBondContact O-N 3.39Å; A33-Y36 PolarHBondContact O-N 3.45Å; Y36-R38 PolarHBondContact O-N 2.78Å; Y36-L39 PolarHBondContact O-N 3.42Å; Y36-T40 HydrophobicContact CD1-CG2 3.85Å; Y36-T40 HydrophobicContact CD2-CG2 4.48Å; Y36-T40 HydrophobicContact CE1-CG2 3.46Å; Y36-T40 VanDerWaalsContact CE1-CG2 3.46Å; Y36-T40 HydrophobicContact CE2-CG2 4.15Å; Y36-T40 HydrophobicContact CG-CG2 4.35Å; Y36-T40 WeakPolarHBondContact O-CB 3.26Å; Y36-T40 WeakPolarHBondContact O-CG2 3.47Å; Y36-T40 PolarHBondContact O-N 3.46Å; Y36-T40 PolarHBondContact O-OG1 3.16Å
37G63.5Low62.3Low35 Ų3584.4 Ų84.436%0.36146%0.461SS..Hα-helixtrans-59.9-41.6173.600000112.9A33 T40 A41A33-G37 PolarHBondContact O-N 2.84Å; G37-T40 WeakPolarHBondContact CA-OG1 3.42Å; G37-T40 PolarHBondContact O-OG1 3.44Å; G37-T40 VanDerWaalsContact O-OG1 3.1Å; G37-A41 WeakPolarHBondContact O-CB 3.41Å; G37-A41 PolarHBondContact O-N 3.42Å
38R62.5Low62.3Low172 Ų17285 Ų8565%0.64945%0.451SS*.Hα-helixtrans-68.2-40.8175.7-76.5-177.9-80.8-127.41.5112.7A34 A35 Y36 A41 V42A34-R38 WeakPolarHBondContact O-CG 3.38Å; A34-R38 PolarHBondContact O-N 2.83Å; A34-R38 VanDerWaalsContact O-N 3.12Å; A34-R38 PolarHBondContact O-NE 2.95Å; A35-R38 PolarHBondContact O-N 3.34Å; Y36-R38 PolarHBondContact O-N 2.78Å; R38-A41 PolarHBondContact O-N 3.27Å; R38-V42 WeakPolarHBondContact O-CG2 3.29Å; R38-V42 PolarHBondContact O-N 3.39Å
39L62.2Low61.9Low96 Ų9688 Ų8850%0.50346%0.463SS..Hα-helixtrans-68.1-40177.3-70.5166.2000112.2A35 Y36 V42 A43A35-L39 WeakPolarHBondContact O-CG 3.42Å; A35-L39 PolarHBondContact O-N 3.28Å; Y36-L39 PolarHBondContact O-N 3.42Å; L39-V42 PolarHBondContact O-N 3.21Å; L39-A43 WeakPolarHBondContact O-CB 3.46Å; L39-A43 PolarHBondContact O-N 2.84Å
40T61.9Low61.6Low35 Ų3591.2 Ų91.222%0.21547%0.468CS..Hα-helixtrans-71.9-33.6175.353.10000112.1Y36 G37 A43 L44Y36-T40 HydrophobicContact CD1-CG2 3.85Å; Y36-T40 HydrophobicContact CD2-CG2 4.48Å; Y36-T40 HydrophobicContact CE1-CG2 3.46Å; Y36-T40 VanDerWaalsContact CE1-CG2 3.46Å; Y36-T40 HydrophobicContact CE2-CG2 4.15Å; Y36-T40 HydrophobicContact CG-CG2 4.35Å; Y36-T40 WeakPolarHBondContact O-CB 3.26Å; Y36-T40 WeakPolarHBondContact O-CG2 3.47Å; Y36-T40 PolarHBondContact O-N 3.46Å; Y36-T40 PolarHBondContact O-OG1 3.16Å; G37-T40 WeakPolarHBondContact CA-OG1 3.42Å; G37-T40 PolarHBondContact O-OG1 3.44Å; G37-T40 VanDerWaalsContact O-OG1 3.1Å; T40-A43 PolarHBondContact O-N 2.8Å; T40-L44 VanDerWaalsContact O-CB 3.32Å; T40-L44 WeakPolarHBondContact O-CB 3.32Å; T40-L44 WeakPolarHBondContact O-CG 3.46Å; T40-L44 PolarHBondContact O-N 2.99Å
41A64.7Low61.2Low51 Ų5194.6 Ų94.642%0.42147%0.471SS..Hα-helixtrans-61.3-43.9170.600000111.6G37 R38 L44 Q45G37-A41 WeakPolarHBondContact O-CB 3.41Å; G37-A41 PolarHBondContact O-N 3.42Å; R38-A41 PolarHBondContact O-N 3.27Å; A41-L44 PolarHBondContact O-N 3.12Å; A41-Q45 VanDerWaalsContact O-CB 3.26Å; A41-Q45 WeakPolarHBondContact O-CB 3.36Å; A41-Q45 PolarHBondContact O-N 3.46Å
42V63.5Low60.9Low80 Ų8095.9 Ų95.949%0.48547%0.473SS..Hα-helixtrans-64.1-41.1173.9172.90000111.1R38 L39 Q45 Q46R38-V42 WeakPolarHBondContact O-CG2 3.29Å; R38-V42 PolarHBondContact O-N 3.39Å; L39-V42 PolarHBondContact O-N 3.21Å; V42-Q45 PolarHBondContact O-N 3.35Å; V42-Q46 VanDerWaalsContact O-CB 3.29Å; V42-Q46 WeakPolarHBondContact O-CB 3.42Å; V42-Q46 PolarHBondContact O-N 2.85Å
43A61.7Low61Low16 Ų1692.6 Ų92.613%0.13247%0.469CS..Hα-helixtrans-66.7-35.717600000113.2V18 L39 T40 Q46 K47V18-A43 HydrophobicContact CG1-CB 4.29Å; L39-A43 WeakPolarHBondContact O-CB 3.46Å; L39-A43 PolarHBondContact O-N 2.84Å; T40-A43 PolarHBondContact O-N 2.8Å; A43-Q46 WeakPolarHBondContact O-CB 3.49Å; A43-Q46 PolarHBondContact O-N 3.28Å; A43-K47 PolarHBondContact O-N 3.28Å
44L60.7Low60.8Low114 Ų11494.3 Ų94.360%0.59747%0.468SS*.Hα-helixtrans-70.6-41.6174.4-86.7157000111.4T40 A41 Q46 K47 R48T40-L44 VanDerWaalsContact O-CB 3.32Å; T40-L44 WeakPolarHBondContact O-CB 3.32Å; T40-L44 WeakPolarHBondContact O-CG 3.46Å; T40-L44 PolarHBondContact O-N 2.99Å; A41-L44 PolarHBondContact O-N 3.12Å; L44-Q46 VanDerWaalsContact C-N 3.27Å; L44-Q46 PolarHBondContact O-N 3.39Å; L44-K47 PolarHBondContact O-N 2.98Å; L44-R48 PolarHBondContact O-N 3.36Å
45Q58.8Low60.5Low115 Ų11593.6 Ų93.654%0.53746%0.459SS..Hα-helixtrans-61.2-40.9172.7-165.7172.41.900109.8A41 V42 K47 R48 W49A41-Q45 VanDerWaalsContact O-CB 3.26Å; A41-Q45 WeakPolarHBondContact O-CB 3.36Å; A41-Q45 PolarHBondContact O-N 3.46Å; V42-Q45 PolarHBondContact O-N 3.35Å; Q45-K47 PolarHBondContact O-N 3.39Å; Q45-R48 PolarHBondContact O-N 3.09Å; Q45-W49 WeakPolarHBondContact O-CB 3.46Å; Q45-W49 PolarHBondContact O-N 3.16Å
46Q59.3Low60.1Low48 Ų4896.6 Ų96.622%0.22448%0.475CS..Hα-helixtrans-62.4-39.3174.4-166.617673.600113A11 V42 A43 L44 W49 Y50A11-Q46 HydrophobicContact CB-CG 4.35Å; A11-Q46 PolarHBondContact O-NE2 2.74Å; A11-Q46 PolarHBondContact O-OE1 3.3Å; V42-Q46 VanDerWaalsContact O-CB 3.29Å; V42-Q46 WeakPolarHBondContact O-CB 3.42Å; V42-Q46 PolarHBondContact O-N 2.85Å; A43-Q46 WeakPolarHBondContact O-CB 3.49Å; A43-Q46 PolarHBondContact O-N 3.28Å; L44-Q46 VanDerWaalsContact C-N 3.27Å; L44-Q46 PolarHBondContact O-N 3.39Å; Q46-W49 PolarHBondContact O-N 3.38Å; Q46-Y50 VanDerWaalsContact O-CB 3.27Å; Q46-Y50 WeakPolarHBondContact O-CB 3.19Å; Q46-Y50 PolarHBondContact O-N 3.04Å
47K57.5Low59.9Low133 Ų133102.8 Ų102.858%0.57851%0.506SS*.Hα-helixtrans-64-40.1172.5-77-175.5177.7-176.30112.7A43 L44 Q45 Y50 K51A43-K47 PolarHBondContact O-N 3.28Å; L44-K47 PolarHBondContact O-N 2.98Å; Q45-K47 PolarHBondContact O-N 3.39Å; K47-Y50 PolarHBondContact O-N 3.34Å; K47-K51 PolarHBondContact O-N 3.08Å; K47-K51 VanDerWaalsContact O-N 3.16Å
48R59.4Low59.3Low188 Ų188104.4 Ų104.471%0.70951%0.505SS*.Hα-helixtrans-67.3-41.5176.5-166.5171178.3-171.3-1.9110.9L44 Q45 K51 I52L44-R48 PolarHBondContact O-N 3.36Å; Q45-R48 PolarHBondContact O-N 3.09Å; R48-K51 PolarHBondContact O-N 3.44Å; R48-I52 HydrophobicContact CG-CD1 4.15Å; R48-I52 WeakPolarHBondContact O-CD1 3.27Å; R48-I52 VanDerWaalsContact O-CG1 3.27Å; R48-I52 WeakPolarHBondContact O-CG1 3.39Å; R48-I52 PolarHBondContact O-N 3.24Å
49W51.1Low58.9Low167 Ų167101.5 Ų101.563%0.63350%0.499SS*.Hα-helixtrans-66.3-35.3172.5-84.775.3000112.5Q45 Q46 K51 I52 A53Q45-W49 WeakPolarHBondContact O-CB 3.46Å; Q45-W49 PolarHBondContact O-N 3.16Å; Q46-W49 PolarHBondContact O-N 3.38Å; W49-K51 PolarHBondContact O-N 2.77Å; W49-I52 PolarHBondContact O-N 3.14Å; W49-A53 HydrophobicContact CE3-CB 4.49Å; W49-A53 WeakPolarHBondContact O-CA 3.27Å; W49-A53 VanDerWaalsContact O-CB 3.24Å; W49-A53 WeakPolarHBondContact O-CB 3.47Å; W49-A53 PolarHBondContact O-N 3.32Å
50Y56.4Low58.4Low117 Ų117106.5 Ų106.546%0.45952%0.517SS..Hα-helixtrans-67.2-33.6176.6-168.9-87.6000112.9F8 Q46 K47 K54F8-Y50 HydrophobicContact CE2-CD2 4.24Å; F8-Y50 AromaticContact CE2-CE2 3.67Å; F8-Y50 HydrophobicContact CE2-CE2 3.67Å; F8-Y50 HydrophobicContact CZ-CE2 4.04Å; Q46-Y50 VanDerWaalsContact O-CB 3.27Å; Q46-Y50 WeakPolarHBondContact O-CB 3.19Å; Q46-Y50 PolarHBondContact O-N 3.04Å; K47-Y50 PolarHBondContact O-N 3.34Å; Y50-K54 WeakPolarHBondContact O-CB 3.47Å; Y50-K54 PolarHBondContact O-N 3.28Å
51K58.2Low57.9Low185 Ų185112.5 Ų112.580%0.80454%0.542SS*.Hα-helixtrans-70.8-33.4173.2-75.7-171.5176.3-169.70112.8K47 R48 W49K47-K51 PolarHBondContact O-N 3.08Å; K47-K51 VanDerWaalsContact O-N 3.16Å; R48-K51 PolarHBondContact O-N 3.44Å; W49-K51 PolarHBondContact O-N 2.77Å
52I60.7Low57.5Low135 Ų135118.9 Ų118.969%0.69256%0.563SS**Hα-helixtrans-91.2-37.6-174.1-62.4168.6000111.7R48 W49R48-I52 HydrophobicContact CG-CD1 4.15Å; R48-I52 WeakPolarHBondContact O-CD1 3.27Å; R48-I52 VanDerWaalsContact O-CG1 3.27Å; R48-I52 WeakPolarHBondContact O-CG1 3.39Å; R48-I52 PolarHBondContact O-N 3.24Å; W49-I52 PolarHBondContact O-N 3.14Å
53A63.4Low57.6Low58 Ų58122 Ų12248%0.47957%0.566SS.*SBendtrans-110.324.7-174.800000112W49 P55W49-A53 HydrophobicContact CE3-CB 4.49Å; W49-A53 WeakPolarHBondContact O-CA 3.27Å; W49-A53 VanDerWaalsContact O-CB 3.24Å; W49-A53 WeakPolarHBondContact O-CB 3.47Å; W49-A53 PolarHBondContact O-N 3.32Å; A53-P55 WeakPolarHBondContact O-CD 3.44Å
54K59.3Low58.3Low85 Ų85128.1 Ų128.137%0.3759%0.59SS.*  trans-55.8116.2170.8-152.2-172.4-169.7-155.60106.4Y50 M58Y50-K54 WeakPolarHBondContact O-CB 3.47Å; Y50-K54 PolarHBondContact O-N 3.28Å; K54-M58 VanDerWaalsContact CE-O 3.27Å; K54-M58 WeakPolarHBondContact CE-O 3.4Å; K54-M58 PolarHBondContact NZ-O 3.08Å
55P59Low59.3Low30 Ų30123.8 Ų123.820%0.19557%0.566CS.*  trans-54.9138.3-177.5-24.533.6000109.4A53 E57 M58A53-P55 WeakPolarHBondContact O-CD 3.44Å; P55-E57 PolarHBondContact O-N 3.22Å; P55-E57 VanDerWaalsContact O-N 3.09Å; P55-M58 HydrophobicContact CG-CE 3.94Å; P55-M58 PolarHBondContact O-N 3.24Å
56P56.8Low60.7Low104 Ų104120.4 Ų120.468%0.67555%0.553SS**G310 helixtrans-50.6-37.5-180-18.222.4000111.9M58 Q59P56-M58 PolarHBondContact O-N 3.06Å; P56-Q59 WeakPolarHBondContact O-CB 3.27Å; P56-Q59 PolarHBondContact O-N 2.95Å; P56-Q59 VanDerWaalsContact O-N 3.08Å
57E57.7Low62.1Low194 Ų194123.8 Ų123.891%0.90757%0.567SS**G310 helixtrans-64.7-8.3178.2-153.2158-161.400114.8P55P55-E57 PolarHBondContact O-N 3.22Å; P55-E57 VanDerWaalsContact O-N 3.09Å
58M51.2Low63.6Low69 Ų69122.7 Ų122.734%0.3456%0.564SS.*G310 helixtrans-120.98.8179.7-148.5-168.7-51.100112.4F8 K54 P55 P56 K60F8-M58 HydrophobicContact CE1-CE 4.31Å; F8-M58 HydrophobicContact CE2-CE 3.9Å; F8-M58 HydrophobicContact CZ-CE 3.72Å; F8-M58 HydrophobicContact CZ-SD 4.23Å; K54-M58 VanDerWaalsContact CE-O 3.27Å; K54-M58 WeakPolarHBondContact CE-O 3.4Å; K54-M58 PolarHBondContact NZ-O 3.08Å; P55-M58 HydrophobicContact CG-CE 3.94Å; P55-M58 PolarHBondContact O-N 3.24Å; P56-M58 PolarHBondContact O-N 3.06Å; M58-K60 PolarHBondContact O-N 3.33Å
59Q52.8Low65.1Low112 Ų112117.6 Ų117.652%0.52355%0.549SS..SBendtrans-76.3100.7153.7-55.1-175.339.700103.7P56 E61P56-Q59 WeakPolarHBondContact O-CB 3.27Å; P56-Q59 PolarHBondContact O-N 2.95Å; P56-Q59 VanDerWaalsContact O-N 3.08Å; Q59-E61 PolarHBondContact O-N 2.8Å
60K52.4Low67Low201 Ų201109.7 Ų109.787%0.87452%0.519SS*.  trans-59.399.9163.7-165.6-177.4-172.6-1690102.3M58 E62M58-K60 PolarHBondContact O-N 3.33Å; K60-E62 PolarHBondContact O-N 2.84Å
61E52.3Low68.6Low160 Ų160106.3 Ų106.375%0.74851%0.509SS*.  trans-44.9119.8-179.5-129.799.9-150.400105.3Q59 R63Q59-E61 PolarHBondContact O-N 2.8Å; E61-R63 PolarHBondContact O-N 2.72Å
62E55.7Low70.2Confident186 Ų186104 Ų10487%0.86950%0.501SS*.  trans-63.492.1167.6-75.1-179.5176.900104.4K60 K64K60-E62 PolarHBondContact O-N 2.84Å; E62-K64 VanDerWaalsContact C-N 3.35Å; E62-K64 PolarHBondContact O-N 3.01Å
63R66.1Low71.7Confident144 Ų144101.2 Ų101.254%0.54348%0.482SS..  trans-61.6103.1-174.6-154.6-164.2-71.7165.70.3104.7E61 W65 E117E61-R63 PolarHBondContact O-N 2.72Å; R63-W65 VanDerWaalsContact NH1-CH2 3.28Å; R63-W65 PolarHBondContact O-N 3.17Å; R63-W65 PolarHBondContact O-NE1 3.34Å; R63-E117 IonicContact CZ-OE1 3.73Å; R63-E117 IonicContact NH1-OE1 2.75Å; R63-E117 PolarHBondContact NH1-OE1 3.07Å; R63-E117 IonicContact NH2-OE1 3.8Å
64K75.5Confident73.1Confident146 Ų14698.5 Ų98.564%0.63546%0.459SS*.PPolyproline II helixtrans-68.3119.4175.4-84.4-173.4173.7-1740107E62 T147E62-K64 VanDerWaalsContact C-N 3.35Å; E62-K64 PolarHBondContact O-N 3.01Å; K64-T147 HydrophobicContact CD-CG2 4.02Å
65W82.9Confident74.6Confident22 Ų2296.7 Ų96.78%0.08345%0.453CS..PPolyproline II helixtrans-89138.1175.7-61.595.3000108.5R63 M69 V70 R73 E117 F118 V146 T147R63-W65 VanDerWaalsContact NH1-CH2 3.28Å; R63-W65 PolarHBondContact O-N 3.17Å; R63-W65 PolarHBondContact O-NE1 3.34Å; W65-M69 HydrophobicContact CE3-CB 4.16Å; W65-V70 HydrophobicContact CB-CG2 3.71Å; W65-V70 HydrophobicContact CG-CG2 4.35Å; W65-R73 HydrophobicContact CH2-CG 4.02Å; W65-R73 HydrophobicContact CZ3-CB 4.01Å; W65-R73 HydrophobicContact CZ3-CG 3.97Å; W65-E117 HydrophobicContact CH2-CG 4.01Å; W65-E117 HydrophobicContact CZ2-CG 4.24Å; W65-F118 AromaticContact CD2-CD1 3.69Å; W65-F118 HydrophobicContact CD2-CD1 3.69Å; W65-F118 AromaticContact CD2-CE1 3.57Å; W65-F118 HydrophobicContact CD2-CE1 3.57Å; W65-F118 AromaticContact CE2-CD1 3.42Å; W65-F118 VanDerWaalsContact CE2-CD1 3.42Å; W65-F118 AromaticContact CE2-CE1 3.69Å; W65-F118 HydrophobicContact CE3-CD1 4.16Å; W65-F118 AromaticContact CE3-CE1 3.56Å; W65-F118 HydrophobicContact CE3-CE1 3.56Å; W65-F118 HydrophobicContact CG-CD1 4.09Å; W65-F118 HydrophobicContact CG-CE1 4.21Å; W65-F118 HydrophobicContact CH2-CD1 4.12Å; W65-F118 AromaticContact CH2-CE1 3.77Å; W65-F118 HydrophobicContact CH2-CE1 3.77Å; W65-F118 HydrophobicContact CH2-CZ 4.43Å; W65-F118 AromaticContact CZ2-CD1 3.67Å; W65-F118 HydrophobicContact CZ2-CD1 3.67Å; W65-F118 AromaticContact CZ2-CE1 3.81Å; W65-F118 HydrophobicContact CZ2-CE1 3.81Å; W65-F118 HydrophobicContact CZ3-CD1 4.36Å; W65-F118 AromaticContact CZ3-CE1 3.65Å; W65-F118 HydrophobicContact CZ3-CE1 3.65Å; W65-F118 HydrophobicContact CZ3-CZ 4.34Å; W65-F118 AromaticContact NE1-CD1 3.68Å; W65-V146 HydrophobicContact CB-CG2 4.17Å; W65-V146 WeakPolarHBondContact O-CA 3.37Å; W65-V146 VanDerWaalsContact O-CG1 3.28Å; W65-V146 WeakPolarHBondContact O-CG1 3.28Å; W65-T147 PolarHBondContact O-N 3.35Å
66T88.2Confident76.1Confident44 Ų44100.6 Ų100.627%0.2747%0.469SS..PPolyproline II helixtrans-94.7161.2161.675.30000108.9E68 M69 V70T66-E68 PolarHBondContact O-N 3.26Å; T66-E68 PolarHBondContact OG1-OE2 3.32Å; T66-M69 HydrophobicContact CG2-SD 4.28Å; T66-M69 PolarHBondContact O-N 2.94Å; T66-M69 VanDerWaalsContact O-N 3.14Å; T66-M69 WeakPolarHBondContact OG1-CG 3.22Å; T66-M69 PolarHBondContact OG1-N 3.25Å; T66-V70 WeakPolarHBondContact O-CG2 3.36Å; T66-V70 PolarHBondContact O-N 3.2Å
67K87.9Confident77.7Confident119 Ų11996.7 Ų96.752%0.51744%0.442SS..Hα-helixtrans-58-37.9-179-174.8175.4-177.6178.80112.4V70 N71K67-V70 PolarHBondContact O-N 3.38Å; K67-N71 PolarHBondContact O-N 3.34Å; K67-N71 VanDerWaalsContact O-N 3.14Å; K67-N71 PolarHBondContact O-ND2 2.74Å
68E89.3Confident79.2Confident111 Ų11187.5 Ų87.552%0.51940%0.399SS..Hα-helixtrans-65.9-47177.3-6069-145.600110.5T66 V70 N71 E72T66-E68 PolarHBondContact O-N 3.26Å; T66-E68 PolarHBondContact OG1-OE2 3.32Å; E68-V70 VanDerWaalsContact C-N 3.3Å; E68-V70 PolarHBondContact O-N 2.83Å; E68-N71 PolarHBondContact O-N 2.83Å; E68-E72 WeakPolarHBondContact O-CG 3.41Å; E68-E72 PolarHBondContact O-N 3.14Å
69M89.8Confident80.9Confident81 Ų8186.7 Ų86.740%0.39940%0.4SS..Hα-helixtrans-61.7-38.3177.8-69179.371.200112.2W65 T66 R73W65-M69 HydrophobicContact CE3-CB 4.16Å; T66-M69 HydrophobicContact CG2-SD 4.28Å; T66-M69 PolarHBondContact O-N 2.94Å; T66-M69 VanDerWaalsContact O-N 3.14Å; T66-M69 WeakPolarHBondContact OG1-CG 3.22Å; T66-M69 PolarHBondContact OG1-N 3.25Å; M69-R73 WeakPolarHBondContact O-CB 3.45Å; M69-R73 PolarHBondContact O-N 3.14Å
70V91.7Very high82.4Confident0 Ų084.3 Ų84.30%041%0.406CS..Hα-helixtrans-61.2-51.6175.1173.60000109.9W65 T66 K67 E68 E72 R73 V74 F118 I140 V146W65-V70 HydrophobicContact CB-CG2 3.71Å; W65-V70 HydrophobicContact CG-CG2 4.35Å; T66-V70 WeakPolarHBondContact O-CG2 3.36Å; T66-V70 PolarHBondContact O-N 3.2Å; K67-V70 PolarHBondContact O-N 3.38Å; E68-V70 VanDerWaalsContact C-N 3.3Å; E68-V70 PolarHBondContact O-N 2.83Å; V70-E72 PolarHBondContact O-N 2.96Å; V70-R73 PolarHBondContact O-N 2.69Å; V70-V74 HydrophobicContact CG1-CG2 4.05Å; V70-V74 WeakPolarHBondContact O-CB 3.49Å; V70-V74 WeakPolarHBondContact O-CG2 3.44Å; V70-V74 PolarHBondContact O-N 3.49Å; V70-F118 HydrophobicContact CB-CE1 4.37Å; V70-F118 HydrophobicContact CG1-CE1 4.26Å; V70-F118 HydrophobicContact CG1-CZ 4.16Å; V70-F118 HydrophobicContact CG2-CE1 3.99Å; V70-I140 HydrophobicContact CG1-CB 3.83Å; V70-I140 HydrophobicContact CG1-CG2 3.57Å; V70-I140 HydrophobicContact CG2-CG2 4.24Å; V70-V146 HydrophobicContact CG2-CG2 4.07Å
71N90.8Very high83.9Confident47 Ų4776 Ų7625%0.25137%0.37SS..Hα-helixtrans-61.7-45.2-177.6-73.9-29.3000112.1K67 E68 R73 V74 I75K67-N71 PolarHBondContact O-N 3.34Å; K67-N71 VanDerWaalsContact O-N 3.14Å; K67-N71 PolarHBondContact O-ND2 2.74Å; E68-N71 PolarHBondContact O-N 2.83Å; N71-R73 VanDerWaalsContact C-N 3.33Å; N71-R73 PolarHBondContact O-N 2.67Å; N71-V74 PolarHBondContact O-N 3.47Å; N71-I75 WeakPolarHBondContact O-CB 3.42Å; N71-I75 WeakPolarHBondContact O-CD1 3.34Å; N71-I75 VanDerWaalsContact O-CG1 3.22Å; N71-I75 WeakPolarHBondContact O-CG1 3.2Å; N71-I75 PolarHBondContact O-N 3.23Å
72E91.2Very high84.8Confident135 Ų13574.3 Ų74.363%0.63136%0.362SS*.Hα-helixtrans-59.9-45.3175.9-74-178.1174.300111.3E68 V70 I75 E76E68-E72 WeakPolarHBondContact O-CG 3.41Å; E68-E72 PolarHBondContact O-N 3.14Å; V70-E72 PolarHBondContact O-N 2.96Å; E72-I75 PolarHBondContact O-N 3.27Å; E72-E76 PolarHBondContact O-N 3.36Å
73R91.9Very high85.6Confident78 Ų7871.1 Ų71.129%0.29434%0.342SS..Hα-helixtrans-69.4-37.9-177.6-169.361.6175.61635.5112.8W65 M69 V70 N71 I75 E76 I77 E117 F118W65-R73 HydrophobicContact CH2-CG 4.02Å; W65-R73 HydrophobicContact CZ3-CB 4.01Å; W65-R73 HydrophobicContact CZ3-CG 3.97Å; M69-R73 WeakPolarHBondContact O-CB 3.45Å; M69-R73 PolarHBondContact O-N 3.14Å; V70-R73 PolarHBondContact O-N 2.69Å; N71-R73 VanDerWaalsContact C-N 3.33Å; N71-R73 PolarHBondContact O-N 2.67Å; R73-I75 VanDerWaalsContact C-N 3.34Å; R73-E76 WeakPolarHBondContact CD-OE2 3.46Å; R73-E76 IonicContact CZ-OE2 3.95Å; R73-E76 IonicContact NE-OE2 2.8Å; R73-E76 IonicContact NH1-OE2 2.97Å; R73-E76 PolarHBondContact NH1-OE2 3.25Å; R73-E76 WeakPolarHBondContact O-CB 3.25Å; R73-E76 PolarHBondContact O-N 2.89Å; R73-I77 HydrophobicContact CG-CD1 4.19Å; R73-I77 WeakPolarHBondContact O-CG1 3.5Å; R73-I77 PolarHBondContact O-N 2.95Å; R73-E117 HydrophobicContact CG-CG 4.07Å; R73-E117 IonicContact CZ-OE2 2.83Å; R73-E117 IonicContact NE-OE1 3.87Å; R73-E117 IonicContact NE-OE2 3.69Å; R73-E117 PolarHBondContact NE-OE2 2.75Å; R73-E117 IonicContact NH2-OE1 3.98Å; R73-E117 IonicContact NH2-OE2 2.67Å; R73-E117 PolarHBondContact NH2-OE2 3.1Å; R73-F118 HydrophobicContact CB-CZ 4Å; R73-F118 HydrophobicContact CG-CZ 4.06Å
74V92.3Very high85.8Confident0 Ų065.3 Ų65.30%032%0.322CS..Hα-helixtrans-61.4-46.1173.6171.90000110V70 N71 E76 I77 I78 L114 F118 V133 I136 I140V70-V74 HydrophobicContact CG1-CG2 4.05Å; V70-V74 WeakPolarHBondContact O-CB 3.49Å; V70-V74 WeakPolarHBondContact O-CG2 3.44Å; V70-V74 PolarHBondContact O-N 3.49Å; N71-V74 PolarHBondContact O-N 3.47Å; V74-E76 VanDerWaalsContact C-N 3.32Å; V74-E76 PolarHBondContact O-N 2.86Å; V74-I77 PolarHBondContact O-N 3.31Å; V74-I78 HydrophobicContact CG1-CD1 3.62Å; V74-I78 WeakPolarHBondContact O-CD1 3.16Å; V74-I78 VanDerWaalsContact O-CG1 3.28Å; V74-I78 WeakPolarHBondContact O-CG1 3.17Å; V74-I78 PolarHBondContact O-N 2.79Å; V74-L114 HydrophobicContact CB-CD2 4.36Å; V74-L114 HydrophobicContact CG1-CD2 4.36Å; V74-L114 HydrophobicContact CG2-CD2 3.88Å; V74-F118 HydrophobicContact CG2-CE2 4.05Å; V74-F118 HydrophobicContact CG2-CZ 4.11Å; V74-V133 HydrophobicContact CG1-CG1 3.95Å; V74-I136 HydrophobicContact CG1-CB 4.3Å; V74-I136 HydrophobicContact CG1-CG2 3.67Å; V74-I136 HydrophobicContact CG2-CG2 4.19Å; V74-I140 HydrophobicContact CG2-CD1 3.62Å
75I90.8Very high84.7Confident47 Ų4763.9 Ų63.924%0.24133%0.33CS..Hα-helixtrans-60.1-43.8176.2-70.9168000110.6N71 E72 R73 I78 S79 V90 V133N71-I75 WeakPolarHBondContact O-CB 3.42Å; N71-I75 WeakPolarHBondContact O-CD1 3.34Å; N71-I75 VanDerWaalsContact O-CG1 3.22Å; N71-I75 WeakPolarHBondContact O-CG1 3.2Å; N71-I75 PolarHBondContact O-N 3.23Å; E72-I75 PolarHBondContact O-N 3.27Å; R73-I75 VanDerWaalsContact C-N 3.34Å; I75-I78 PolarHBondContact O-N 3.31Å; I75-S79 WeakPolarHBondContact O-CB 3.46Å; I75-S79 PolarHBondContact O-N 3.02Å; I75-S79 PolarHBondContact O-OG 3.06Å; I75-V90 HydrophobicContact CG1-CG1 4.3Å; I75-V90 HydrophobicContact CG2-CB 4.15Å; I75-V90 HydrophobicContact CG2-CG1 4.23Å; I75-V133 HydrophobicContact CG1-CG1 3.83Å
76E90.3Very high83.3Confident113 Ų11365.4 Ų65.453%0.52835%0.353SS..Hα-helixtrans-59.5-48.2176.8-111.4-173.3159.900112.4E72 R73 V74 S79 G80E72-E76 PolarHBondContact O-N 3.36Å; R73-E76 WeakPolarHBondContact CD-OE2 3.46Å; R73-E76 IonicContact CZ-OE2 3.95Å; R73-E76 IonicContact NE-OE2 2.8Å; R73-E76 IonicContact NH1-OE2 2.97Å; R73-E76 PolarHBondContact NH1-OE2 3.25Å; R73-E76 WeakPolarHBondContact O-CB 3.25Å; R73-E76 PolarHBondContact O-N 2.89Å; V74-E76 VanDerWaalsContact C-N 3.32Å; V74-E76 PolarHBondContact O-N 2.86Å; E76-S79 PolarHBondContact O-N 3.36Å; E76-G80 PolarHBondContact O-N 3.04Å
77I90.4Very high81.8Confident22 Ų2272.7 Ų72.711%0.11338%0.384CS..Hα-helixtrans-61.7-48.4-179.7-71.7166.8000110R73 V74 G80 F81 A113 L114 E117R73-I77 HydrophobicContact CG-CD1 4.19Å; R73-I77 WeakPolarHBondContact O-CG1 3.5Å; R73-I77 PolarHBondContact O-N 2.95Å; V74-I77 PolarHBondContact O-N 3.31Å; I77-G80 PolarHBondContact O-N 3.05Å; I77-F81 WeakPolarHBondContact O-CD2 3.46Å; I77-A113 HydrophobicContact CG2-CB 3.95Å; I77-L114 HydrophobicContact CB-CD2 4.38Å; I77-L114 HydrophobicContact CD1-CD2 3.77Å; I77-L114 HydrophobicContact CG2-CD2 4.28Å; I77-L114 HydrophobicContact CG2-CG 4.44Å; I77-E117 HydrophobicContact CD1-CB 3.92Å; I77-E117 HydrophobicContact CD1-CG 4.01Å
78I89.3Confident80.8Confident0 Ų072.1 Ų72.10%038%0.381CS..Hα-helixtrans-63.7-46.6-179.9-65.5164.7000110.1V74 I75 G80 F81 L84 V90 L96 L100 V110 V133V74-I78 HydrophobicContact CG1-CD1 3.62Å; V74-I78 WeakPolarHBondContact O-CD1 3.16Å; V74-I78 VanDerWaalsContact O-CG1 3.28Å; V74-I78 WeakPolarHBondContact O-CG1 3.17Å; V74-I78 PolarHBondContact O-N 2.79Å; I75-I78 PolarHBondContact O-N 3.31Å; I78-G80 PolarHBondContact O-N 3.37Å; I78-F81 WeakPolarHBondContact O-CB 3.28Å; I78-F81 PolarHBondContact O-N 2.95Å; I78-L84 HydrophobicContact CG2-CD1 4.11Å; I78-L84 WeakPolarHBondContact O-CD1 3.46Å; I78-V90 HydrophobicContact CG2-CG1 4.17Å; I78-V90 HydrophobicContact CG2-CG2 4.28Å; I78-L96 HydrophobicContact CD1-CD2 3.96Å; I78-L96 HydrophobicContact CG1-CD2 4.27Å; I78-L96 HydrophobicContact CG2-CD2 3.82Å; I78-L100 HydrophobicContact CG2-CD1 3.56Å; I78-V110 HydrophobicContact CG1-CG1 3.92Å; I78-V133 HydrophobicContact CD1-CB 4.44Å; I78-V133 HydrophobicContact CD1-CG1 4.17Å; I78-V133 HydrophobicContact CD1-CG2 3.84Å
79S87.1Confident80.2Confident52 Ų5271.5 Ų71.536%0.36439%0.389SS..Hα-helixtrans-64-28.7-179.7-56.10000113.1I75 E76 F81 V90I75-S79 WeakPolarHBondContact O-CB 3.46Å; I75-S79 PolarHBondContact O-N 3.02Å; I75-S79 PolarHBondContact O-OG 3.06Å; E76-S79 PolarHBondContact O-N 3.36Å; S79-F81 VanDerWaalsContact C-N 3.29Å; S79-F81 PolarHBondContact O-N 3.37Å; S79-V90 VanDerWaalsContact OG-CG2 3.3Å; S79-V90 WeakPolarHBondContact OG-CG2 3.48Å
80G84.5Confident80.1Confident63 Ų6368.5 Ų68.565%0.64938%0.375SS*.THydrogen-bonded Turntrans-77.6-8.2178.700000114.7E76 I77 I78 H82E76-G80 PolarHBondContact O-N 3.04Å; I77-G80 PolarHBondContact O-N 3.05Å; I78-G80 PolarHBondContact O-N 3.37Å; G80-H82 PolarHBondContact O-N 3.46Å
81F83.8Confident79.9Confident25 Ų2571.3 Ų71.311%0.1139%0.393CS..SBendtrans-66.5128.7178.5-105-103000111.3I77 I78 S79 R83 L84 E109 V110 A113I77-F81 WeakPolarHBondContact O-CD2 3.46Å; I78-F81 WeakPolarHBondContact O-CB 3.28Å; I78-F81 PolarHBondContact O-N 2.95Å; S79-F81 VanDerWaalsContact C-N 3.29Å; S79-F81 PolarHBondContact O-N 3.37Å; F81-R83 PolarHBondContact O-N 2.91Å; F81-L84 WeakPolarHBondContact O-CB 3.44Å; F81-L84 PolarHBondContact O-N 3.15Å; F81-E109 HydrophobicContact CE1-CB 3.5Å; F81-E109 WeakPolarHBondContact CE1-OE2 3.41Å; F81-E109 HydrophobicContact CZ-CB 3.5Å; F81-V110 HydrophobicContact CD1-CG2 4.15Å; F81-V110 HydrophobicContact CD2-CG2 3.63Å; F81-V110 HydrophobicContact CE1-CG2 4.07Å; F81-V110 HydrophobicContact CE2-CB 4.29Å; F81-V110 HydrophobicContact CE2-CG2 3.54Å; F81-V110 HydrophobicContact CG-CG2 3.94Å; F81-V110 HydrophobicContact CZ-CB 4.45Å; F81-V110 HydrophobicContact CZ-CG2 3.78Å; F81-A113 HydrophobicContact CE2-CB 4.47Å
82H72.3Confident79.8Confident126 Ų12672.2 Ų72.258%0.58340%0.401SS*.THydrogen-bonded Turntrans-55.2-26.2-170.753.9-92.1000114.3G80 L84 S85 E109G80-H82 PolarHBondContact O-N 3.46Å; H82-L84 VanDerWaalsContact C-N 3.32Å; H82-S85 PolarHBondContact O-OG 3.31Å; H82-E109 IonicContact CE1-OE2 3.44Å
83R72.3Confident79.7Confident119 Ų11970.5 Ų70.545%0.44940%0.404SS..THydrogen-bonded Turntrans-75-19.7177-59.2-148.6-163-179.817.1114F81 S85 D103 D106F81-R83 PolarHBondContact O-N 2.91Å; R83-S85 PolarHBondContact O-N 3.45Å; R83-D103 IonicContact CZ-OD2 3.91Å; R83-D103 IonicContact NH1-OD2 3.69Å; R83-D103 PolarHBondContact NH1-OD2 3.02Å; R83-D103 IonicContact NH2-OD1 3.61Å; R83-D103 IonicContact NH2-OD2 3.26Å; R83-D103 PolarHBondContact NH2-OD2 3.45Å; R83-D106 WeakPolarHBondContact CD-OD1 3.49Å; R83-D106 WeakPolarHBondContact CD-OD2 3.43Å; R83-D106 IonicContact CZ-OD1 2.85Å; R83-D106 IonicContact CZ-OD2 3.43Å; R83-D106 VanDerWaalsContact NE-CG 3.3Å; R83-D106 IonicContact NE-OD1 3.11Å; R83-D106 PolarHBondContact NE-OD1 3.42Å; R83-D106 IonicContact NE-OD2 2.74Å; R83-D106 PolarHBondContact NE-OD2 3.14Å; R83-D106 VanDerWaalsContact NE-OD2 3.11Å; R83-D106 IonicContact NH1-OD1 3.06Å; R83-D106 IonicContact NH1-OD2 3.17Å; R83-D106 PolarHBondContact NH1-OD2 3.03Å; R83-D106 IonicContact NH2-OD1 3.31Å; R83-D106 PolarHBondContact NH2-OD1 2.78Å; R83-D106 IonicContact NH2-OD2 2.7Å; R83-D106 PolarHBondContact NH2-OD2 2.93Å
84L70.7Confident79.7Confident22 Ų2267.3 Ų67.312%0.11539%0.393CS..  trans-82.565.2172.9-53.6-172.2000109.5I78 F81 H82 G86 V90 L100 L102I78-L84 HydrophobicContact CG2-CD1 4.11Å; I78-L84 WeakPolarHBondContact O-CD1 3.46Å; F81-L84 WeakPolarHBondContact O-CB 3.44Å; F81-L84 PolarHBondContact O-N 3.15Å; H82-L84 VanDerWaalsContact C-N 3.32Å; L84-G86 PolarHBondContact O-N 3.02Å; L84-G86 VanDerWaalsContact O-N 3.09Å; L84-V90 HydrophobicContact CD1-CG2 4.43Å; L84-L100 HydrophobicContact CD1-CD1 3.94Å; L84-L100 HydrophobicContact CD1-CD2 4.42Å; L84-L100 HydrophobicContact CD2-CB 3.83Å; L84-L100 HydrophobicContact CD2-CD1 4.37Å; L84-L100 HydrophobicContact CD2-CD2 4.23Å; L84-L100 HydrophobicContact CD2-CG 4.36Å; L84-L102 HydrophobicContact CD2-CD2 3.97Å
85S51.7Low79.6Confident115 Ų11569.1 Ų69.180%0.80440%0.401SS*.  trans-79.188172.1-700000109.3H82 R83H82-S85 PolarHBondContact O-OG 3.31Å; R83-S85 PolarHBondContact O-N 3.45Å
86G53.2Low79.5Confident55 Ų5566.9 Ų66.957%0.56739%0.39SS*.SBendtrans150.7169.7170.100000114.7L84 K88L84-G86 PolarHBondContact O-N 3.02Å; L84-G86 VanDerWaalsContact O-N 3.09Å; G86-K88 PolarHBondContact O-N 3.47Å
87E57.3Low79.4Confident197 Ų19764.4 Ų64.492%0.92138%0.383SS*.  trans-59.928172.6-81.7179.5144.400114.3S89E87-S89 VanDerWaalsContact C-N 3.32Å; E87-S89 PolarHBondContact O-N 2.93Å; E87-S89 PolarHBondContact O-OG 3.05Å
88K66.1Low79.3Confident106 Ų10669.1 Ų69.146%0.46141%0.408SS..  trans-60.8101.4171.4-76.8-162.5179.4-168.30107.3G86 V90 D99 L100G86-K88 PolarHBondContact O-N 3.47Å; K88-V90 PolarHBondContact O-N 3.46Å; K88-D99 PolarHBondContact NZ-O 3.27Å; K88-D99 VanDerWaalsContact NZ-O 3.13Å; K88-L100 HydrophobicContact CB-CD2 4.26Å; K88-L100 HydrophobicContact CD-CD2 4.02Å; K88-L100 PolarHBondContact NZ-O 2.93Å
89S77.8Confident79.3Confident99 Ų9973.5 Ų73.569%0.69243%0.431SS*.  trans-68.4105.2-179.5-63.80000107.8E87 T91E87-S89 VanDerWaalsContact C-N 3.32Å; E87-S89 PolarHBondContact O-N 2.93Å; E87-S89 PolarHBondContact O-OG 3.05Å; S89-T91 PolarHBondContact O-N 3.18Å
90V86.4Confident79.3Confident17 Ų1771.5 Ų71.510%0.10342%0.417CS..  trans-74.5112.8175.2-179.80000107.4I75 I78 S79 L84 K88 L100 V133I75-V90 HydrophobicContact CG1-CG1 4.3Å; I75-V90 HydrophobicContact CG2-CB 4.15Å; I75-V90 HydrophobicContact CG2-CG1 4.23Å; I78-V90 HydrophobicContact CG2-CG1 4.17Å; I78-V90 HydrophobicContact CG2-CG2 4.28Å; S79-V90 VanDerWaalsContact OG-CG2 3.3Å; S79-V90 WeakPolarHBondContact OG-CG2 3.48Å; L84-V90 HydrophobicContact CD1-CG2 4.43Å; K88-V90 PolarHBondContact O-N 3.46Å; V90-L100 HydrophobicContact CG2-CD1 4.35Å; V90-L100 HydrophobicContact CG2-CD2 4.33Å; V90-V133 HydrophobicContact CG1-CG2 3.74Å
91T88.6Confident79.3Confident60 Ų6071.3 Ų71.337%0.36841%0.414SS..  trans-107.5161.7176.1700000109.7S89 S93 T94S89-T91 PolarHBondContact O-N 3.18Å; T91-S93 PolarHBondContact O-N 2.92Å; T91-S93 VanDerWaalsContact O-N 3.13Å; T91-T94 PolarHBondContact N-OG1 3.02Å; T91-T94 WeakPolarHBondContact O-CB 3.22Å; T91-T94 PolarHBondContact O-N 3.2Å; T91-T94 PolarHBondContact O-OG1 3.36Å; T91-T94 PolarHBondContact OG1-N 3.48Å; T91-T94 PolarHBondContact OG1-OG1 3.31Å
92P87.5Confident79.5Confident65 Ų6570.4 Ų70.442%0.42241%0.41SS..THydrogen-bonded Turntrans-55.4-32.1174.9-24.633.6000112.8T94 H134P92-T94 VanDerWaalsContact C-N 3.31Å; P92-H134 HydrophobicContact CB-CB 4.21Å; P92-H134 WeakPolarHBondContact O-CB 3.46Å; P92-H134 PolarHBondContact O-N 3.38Å
93S90.1Very high80.3Confident100 Ų10067.2 Ų67.270%0.69940%0.398SS*.THydrogen-bonded Turntrans-83.8-4.4-179.8-54.70000113.9T91T91-S93 PolarHBondContact O-N 2.92Å; T91-S93 VanDerWaalsContact O-N 3.13Å
94T90.7Very high81Confident11 Ų1166.4 Ų66.47%0.06741%0.411CS..  trans-69.2132.5-178.3-62.60000110.5T91 P92 D99 L100 T132 V133T91-T94 PolarHBondContact N-OG1 3.02Å; T91-T94 WeakPolarHBondContact O-CB 3.22Å; T91-T94 PolarHBondContact O-N 3.2Å; T91-T94 PolarHBondContact O-OG1 3.36Å; T91-T94 PolarHBondContact OG1-N 3.48Å; T91-T94 PolarHBondContact OG1-OG1 3.31Å; P92-T94 VanDerWaalsContact C-N 3.31Å; T94-D99 HydrophobicContact CG2-CB 3.84Å; T94-L100 HydrophobicContact CG2-CD1 4.04Å; T94-L100 HydrophobicContact CG2-CD2 3.73Å; T94-L100 HydrophobicContact CG2-CG 3.61Å; T94-T132 WeakPolarHBondContact O-CA 3.31Å; T94-V133 PolarHBondContact O-N 2.82Å
95H90.8Very high82Confident37 Ų3770.2 Ų70.217%0.17143%0.431CS..BIsolated β-bridgetrans-94.1125.4176.9-165.2-55.8000110.5V97 N98 D99 L100 L131 T132H95-V97 PolarHBondContact ND1-N 2.85Å; H95-V97 PolarHBondContact O-N 2.67Å; H95-N98 HydrophobicContact CB-CB 4.13Å; H95-N98 PolarHBondContact CE1-ND2 3.01Å; H95-N98 PolarHBondContact ND1-N 3.48Å; H95-N98 PolarHBondContact NE2-ND2 2.66Å; H95-D99 WeakPolarHBondContact CB-OD2 3.48Å; H95-D99 PolarHBondContact N-OD2 3.29Å; H95-D99 WeakPolarHBondContact O-CB 3.2Å; H95-D99 PolarHBondContact O-N 3.41Å; H95-L100 PolarHBondContact O-N 3.37Å; H95-L131 WeakPolarHBondContact CA-O 3.3Å; H95-T132 HydrophobicContact CB-CG2 4.39Å
96L88.9Confident83.8Confident0 Ų064.8 Ų64.80%039%0.393CS..Iπ-helixtrans-58.5-48.2-174.4-67.7-179000112.6I78 L100 G101 L102 L131 I136I78-L96 HydrophobicContact CD1-CD2 3.96Å; I78-L96 HydrophobicContact CG1-CD2 4.27Å; I78-L96 HydrophobicContact CG2-CD2 3.82Å; L96-L100 HydrophobicContact CD2-CD1 3.93Å; L96-L100 WeakPolarHBondContact O-CB 3.28Å; L96-G101 PolarHBondContact O-N 2.94Å; L96-L102 HydrophobicContact CB-CD1 4.21Å; L96-L102 HydrophobicContact CD2-CD1 4.02Å; L96-L102 WeakPolarHBondContact O-CB 3.41Å; L96-L102 PolarHBondContact O-N 3.42Å; L96-L102 VanDerWaalsContact O-N 3.12Å; L96-L131 WeakPolarHBondContact CG-O 3.48Å; L96-L131 PolarHBondContact N-O 3.34Å; L96-I136 HydrophobicContact CD1-CD1 3.55Å; L96-I136 HydrophobicContact CG-CD1 4.42Å
97V87.8Confident85.5Confident62 Ų6263 Ų6338%0.37637%0.369SS..Iπ-helixtrans-78.2-49.4-179.7-175.60000111.9H95 G101H95-V97 PolarHBondContact ND1-N 2.85Å; H95-V97 PolarHBondContact O-N 2.67Å; V97-G101 WeakPolarHBondContact O-CA 3.25Å; V97-G101 PolarHBondContact O-N 3.31Å; V97-G101 VanDerWaalsContact O-N 3.15Å
98N88.3Confident87.1Confident120 Ų12057.6 Ų57.664%0.64235%0.349SS*.Iπ-helixtrans-78.3-41.2-170.4-65.5-30000114.2H95H95-N98 HydrophobicContact CB-CB 4.13Å; H95-N98 PolarHBondContact CE1-ND2 3.01Å; H95-N98 PolarHBondContact ND1-N 3.48Å; H95-N98 PolarHBondContact NE2-ND2 2.66Å
99D88.8Confident88.3Confident92 Ų9256.4 Ų56.449%0.49235%0.346SS..Iπ-helixtrans-94.1-43.1-175.6-63-43.9000111.8K88 T94 H95K88-D99 PolarHBondContact NZ-O 3.27Å; K88-D99 VanDerWaalsContact NZ-O 3.13Å; T94-D99 HydrophobicContact CG2-CB 3.84Å; H95-D99 WeakPolarHBondContact CB-OD2 3.48Å; H95-D99 PolarHBondContact N-OD2 3.29Å; H95-D99 WeakPolarHBondContact O-CB 3.2Å; H95-D99 PolarHBondContact O-N 3.41Å
100L87.1Confident88.9Confident11 Ų1151.7 Ų51.76%0.05831%0.313CS..Iπ-helixtrans-82.6-26-179.8-59-178.1000112I78 L84 K88 V90 T94 H95 L96 L102I78-L100 HydrophobicContact CG2-CD1 3.56Å; L84-L100 HydrophobicContact CD1-CD1 3.94Å; L84-L100 HydrophobicContact CD1-CD2 4.42Å; L84-L100 HydrophobicContact CD2-CB 3.83Å; L84-L100 HydrophobicContact CD2-CD1 4.37Å; L84-L100 HydrophobicContact CD2-CD2 4.23Å; L84-L100 HydrophobicContact CD2-CG 4.36Å; K88-L100 HydrophobicContact CB-CD2 4.26Å; K88-L100 HydrophobicContact CD-CD2 4.02Å; K88-L100 PolarHBondContact NZ-O 2.93Å; V90-L100 HydrophobicContact CG2-CD1 4.35Å; V90-L100 HydrophobicContact CG2-CD2 4.33Å; T94-L100 HydrophobicContact CG2-CD1 4.04Å; T94-L100 HydrophobicContact CG2-CD2 3.73Å; T94-L100 HydrophobicContact CG2-CG 3.61Å; H95-L100 PolarHBondContact O-N 3.37Å; L96-L100 HydrophobicContact CD2-CD1 3.93Å; L96-L100 WeakPolarHBondContact O-CB 3.28Å; L100-L102 HydrophobicContact CB-CG 4.08Å
101G85.9Confident89.1Confident58 Ų5851.4 Ų51.460%0.59831%0.311SS*.  trans76.126.1-179.100000112.6L96 V97L96-G101 PolarHBondContact O-N 2.94Å; V97-G101 WeakPolarHBondContact O-CA 3.25Å; V97-G101 PolarHBondContact O-N 3.31Å; V97-G101 VanDerWaalsContact O-N 3.15Å
102L87.2Confident89.3Confident6 Ų651.4 Ų51.43%0.03131%0.314CS..  trans-68.6137.1175.9-64-175.2000109.7L84 L96 L100 D106 V110L84-L102 HydrophobicContact CD2-CD2 3.97Å; L96-L102 HydrophobicContact CB-CD1 4.21Å; L96-L102 HydrophobicContact CD2-CD1 4.02Å; L96-L102 WeakPolarHBondContact O-CB 3.41Å; L96-L102 PolarHBondContact O-N 3.42Å; L96-L102 VanDerWaalsContact O-N 3.12Å; L100-L102 HydrophobicContact CB-CG 4.08Å; L102-D106 HydrophobicContact CB-CB 3.96Å; L102-D106 HydrophobicContact CD2-CB 4Å; L102-D106 HydrophobicContact CG-CB 4.4Å; L102-V110 HydrophobicContact CD1-CG2 4.31Å
103D89.5Confident89.6Confident59 Ų5949.9 Ų49.932%0.31631%0.306SS..  trans-81.7176.4172.570.530.4000111.3R83 L105 D106 H107R83-D103 IonicContact CZ-OD2 3.91Å; R83-D103 IonicContact NH1-OD2 3.69Å; R83-D103 PolarHBondContact NH1-OD2 3.02Å; R83-D103 IonicContact NH2-OD1 3.61Å; R83-D103 IonicContact NH2-OD2 3.26Å; R83-D103 PolarHBondContact NH2-OD2 3.45Å; D103-L105 PolarHBondContact O-N 3.27Å; D103-L105 WeakPolarHBondContact OD1-CA 3.39Å; D103-L105 VanDerWaalsContact OD1-CB 3.31Å; D103-L105 WeakPolarHBondContact OD1-CB 3.44Å; D103-L105 PolarHBondContact OD1-N 2.96Å; D103-D106 VanDerWaalsContact CG-OD2 3.31Å; D103-D106 PolarHBondContact N-OD2 3.28Å; D103-D106 VanDerWaalsContact N-OD2 3.17Å; D103-D106 PolarHBondContact O-N 3.41Å; D103-D106 VanDerWaalsContact OD1-CG 3.25Å; D103-D106 PolarHBondContact OD1-N 2.99Å; D103-H107 PolarHBondContact O-N 2.97Å; D103-H107 VanDerWaalsContact O-N 3.07Å
104S87.4Confident89.7Confident103 Ų10345.1 Ų45.172%0.7227%0.273SS*.Hα-helixtrans-65.5-24.5-179.657.70000113.3V108S104-V108 WeakPolarHBondContact O-CG2 3.36Å; S104-V108 PolarHBondContact O-N 3.48Å
105L90Very high89.7Confident102 Ų10246.8 Ų46.853%0.53428%0.28SS..Hα-helixtrans-76.8-43.6177.1-178.464.4000110.1D103 H107 V108 E109D103-L105 PolarHBondContact O-N 3.27Å; D103-L105 WeakPolarHBondContact OD1-CA 3.39Å; D103-L105 VanDerWaalsContact OD1-CB 3.31Å; D103-L105 WeakPolarHBondContact OD1-CB 3.44Å; D103-L105 PolarHBondContact OD1-N 2.96Å; L105-H107 VanDerWaalsContact C-N 3.27Å; L105-H107 PolarHBondContact O-N 3.22Å; L105-V108 PolarHBondContact O-N 3.45Å; L105-E109 PolarHBondContact O-N 2.94Å
106D89.5Confident89.7Confident1 Ų153 Ų531%0.00531%0.309CS..Hα-helixtrans-60.8-38.9176.3-60.8-37.6000111.6R83 L102 D103 V108 E109 V110R83-D106 WeakPolarHBondContact CD-OD1 3.49Å; R83-D106 WeakPolarHBondContact CD-OD2 3.43Å; R83-D106 IonicContact CZ-OD1 2.85Å; R83-D106 IonicContact CZ-OD2 3.43Å; R83-D106 VanDerWaalsContact NE-CG 3.3Å; R83-D106 IonicContact NE-OD1 3.11Å; R83-D106 PolarHBondContact NE-OD1 3.42Å; R83-D106 IonicContact NE-OD2 2.74Å; R83-D106 PolarHBondContact NE-OD2 3.14Å; R83-D106 VanDerWaalsContact NE-OD2 3.11Å; R83-D106 IonicContact NH1-OD1 3.06Å; R83-D106 IonicContact NH1-OD2 3.17Å; R83-D106 PolarHBondContact NH1-OD2 3.03Å; R83-D106 IonicContact NH2-OD1 3.31Å; R83-D106 PolarHBondContact NH2-OD1 2.78Å; R83-D106 IonicContact NH2-OD2 2.7Å; R83-D106 PolarHBondContact NH2-OD2 2.93Å; L102-D106 HydrophobicContact CB-CB 3.96Å; L102-D106 HydrophobicContact CD2-CB 4Å; L102-D106 HydrophobicContact CG-CB 4.4Å; D103-D106 VanDerWaalsContact CG-OD2 3.31Å; D103-D106 PolarHBondContact N-OD2 3.28Å; D103-D106 VanDerWaalsContact N-OD2 3.17Å; D103-D106 PolarHBondContact O-N 3.41Å; D103-D106 VanDerWaalsContact OD1-CG 3.25Å; D103-D106 PolarHBondContact OD1-N 2.99Å; D106-V108 PolarHBondContact O-N 3.41Å; D106-E109 PolarHBondContact O-N 2.73Å; D106-V110 WeakPolarHBondContact O-CG2 3.15Å; D106-V110 PolarHBondContact O-N 3.41Å
107H89.7Confident89.7Confident17 Ų1755.4 Ų55.48%0.07932%0.32CS..Hα-helixtrans-60.4-44.4176.2178.1-94.3000112.1D103 L105 V110 V111 S127 L130D103-H107 PolarHBondContact O-N 2.97Å; D103-H107 VanDerWaalsContact O-N 3.07Å; L105-H107 VanDerWaalsContact C-N 3.27Å; L105-H107 PolarHBondContact O-N 3.22Å; H107-V110 PolarHBondContact O-N 3.12Å; H107-V111 WeakPolarHBondContact O-CG2 3.21Å; H107-V111 PolarHBondContact O-N 3.23Å; H107-S127 PolarHBondContact CE1-O 3.39Å; H107-S127 PolarHBondContact NE2-O 2.92Å; H107-L130 PolarHBondContact NE2-O 3.48Å
108V90.4Very high89.8Confident83 Ų8353.4 Ų53.450%0.50331%0.307SS..Hα-helixtrans-64-40.8176.1172.20000111.5S104 L105 D106 V111 S112S104-V108 WeakPolarHBondContact O-CG2 3.36Å; S104-V108 PolarHBondContact O-N 3.48Å; L105-V108 PolarHBondContact O-N 3.45Å; D106-V108 PolarHBondContact O-N 3.41Å; V108-V111 PolarHBondContact O-N 3.33Å; V108-S112 WeakPolarHBondContact O-CB 3.45Å; V108-S112 PolarHBondContact O-N 2.9Å
109E91Very high89.8Confident82 Ų8251.1 Ų51.138%0.38331%0.311SS..Hα-helixtrans-64.5-40.8176.7-69.5-173.4-177.300111.8F81 H82 L105 D106 S112 A113F81-E109 HydrophobicContact CE1-CB 3.5Å; F81-E109 WeakPolarHBondContact CE1-OE2 3.41Å; F81-E109 HydrophobicContact CZ-CB 3.5Å; H82-E109 IonicContact CE1-OE2 3.44Å; L105-E109 PolarHBondContact O-N 2.94Å; D106-E109 PolarHBondContact O-N 2.73Å; E109-S112 PolarHBondContact O-N 3.32Å; E109-A113 WeakPolarHBondContact O-CB 3.01Å; E109-A113 PolarHBondContact O-N 3.2Å
110V90.8Very high89.8Confident0 Ų048.1 Ų48.10%030%0.295CS..Hα-helixtrans-61.8-48175.5167.70000110.8I78 F81 L102 D106 H107 S112 A113 L114I78-V110 HydrophobicContact CG1-CG1 3.92Å; F81-V110 HydrophobicContact CD1-CG2 4.15Å; F81-V110 HydrophobicContact CD2-CG2 3.63Å; F81-V110 HydrophobicContact CE1-CG2 4.07Å; F81-V110 HydrophobicContact CE2-CB 4.29Å; F81-V110 HydrophobicContact CE2-CG2 3.54Å; F81-V110 HydrophobicContact CG-CG2 3.94Å; F81-V110 HydrophobicContact CZ-CB 4.45Å; F81-V110 HydrophobicContact CZ-CG2 3.78Å; L102-V110 HydrophobicContact CD1-CG2 4.31Å; D106-V110 WeakPolarHBondContact O-CG2 3.15Å; D106-V110 PolarHBondContact O-N 3.41Å; H107-V110 PolarHBondContact O-N 3.12Å; V110-S112 VanDerWaalsContact C-N 3.33Å; V110-S112 PolarHBondContact O-N 2.84Å; V110-A113 PolarHBondContact O-N 2.86Å; V110-L114 HydrophobicContact CG1-CD1 3.92Å; V110-L114 VanDerWaalsContact O-CG 3.25Å; V110-L114 WeakPolarHBondContact O-CG 3.48Å; V110-L114 PolarHBondContact O-N 2.73Å
111V91.8Very high89.9Confident10 Ų1056.1 Ų56.16%0.06133%0.332CS..Hα-helixtrans-60-44.9178.5171.60000110.6H107 V108 A113 L114 E115 I122H107-V111 WeakPolarHBondContact O-CG2 3.21Å; H107-V111 PolarHBondContact O-N 3.23Å; V108-V111 PolarHBondContact O-N 3.33Å; V111-A113 VanDerWaalsContact C-N 3.34Å; V111-A113 PolarHBondContact O-N 3.42Å; V111-L114 WeakPolarHBondContact O-CB 3.49Å; V111-L114 PolarHBondContact O-N 3.19Å; V111-L114 VanDerWaalsContact O-N 3.14Å; V111-E115 HydrophobicContact CG1-CG 4.48Å; V111-E115 WeakPolarHBondContact O-CG 3.33Å; V111-E115 PolarHBondContact O-N 3.09Å; V111-I122 HydrophobicContact CG1-CB 4.27Å; V111-I122 HydrophobicContact CG1-CD1 4.29Å
112S92.1Very high90.2Very high61 Ų6153.8 Ų53.843%0.42731%0.306SS..Hα-helixtrans-63.8-38.3178.6-167.70000112.7V108 E109 V110 L114 E115 E116V108-S112 WeakPolarHBondContact O-CB 3.45Å; V108-S112 PolarHBondContact O-N 2.9Å; E109-S112 PolarHBondContact O-N 3.32Å; V110-S112 VanDerWaalsContact C-N 3.33Å; V110-S112 PolarHBondContact O-N 2.84Å; S112-L114 VanDerWaalsContact C-N 3.32Å; S112-L114 PolarHBondContact O-N 3.37Å; S112-E115 WeakPolarHBondContact O-CB 3.31Å; S112-E115 PolarHBondContact O-N 3.33Å; S112-E116 PolarHBondContact O-N 2.86Å
113A92.8Very high90.4Very high32 Ų3256.6 Ų56.626%0.26432%0.324SS..Hα-helixtrans-64.6-36.6174.300000112.3I77 F81 E109 V110 V111 E117I77-A113 HydrophobicContact CG2-CB 3.95Å; F81-A113 HydrophobicContact CE2-CB 4.47Å; E109-A113 WeakPolarHBondContact O-CB 3.01Å; E109-A113 PolarHBondContact O-N 3.2Å; V110-A113 PolarHBondContact O-N 2.86Å; V111-A113 VanDerWaalsContact C-N 3.34Å; V111-A113 PolarHBondContact O-N 3.42Å; A113-E117 WeakPolarHBondContact O-CB 3.48Å; A113-E117 PolarHBondContact O-N 2.97Å
114L92.3Very high90.4Very high1 Ų159.7 Ų59.71%0.00534%0.341CS..Hα-helixtrans-68-44.9174.9-66.6165.4000111.4V74 I77 V110 V111 S112 E116 E117 F118 I136 I140V74-L114 HydrophobicContact CB-CD2 4.36Å; V74-L114 HydrophobicContact CG1-CD2 4.36Å; V74-L114 HydrophobicContact CG2-CD2 3.88Å; I77-L114 HydrophobicContact CB-CD2 4.38Å; I77-L114 HydrophobicContact CD1-CD2 3.77Å; I77-L114 HydrophobicContact CG2-CD2 4.28Å; I77-L114 HydrophobicContact CG2-CG 4.44Å; V110-L114 HydrophobicContact CG1-CD1 3.92Å; V110-L114 VanDerWaalsContact O-CG 3.25Å; V110-L114 WeakPolarHBondContact O-CG 3.48Å; V110-L114 PolarHBondContact O-N 2.73Å; V111-L114 WeakPolarHBondContact O-CB 3.49Å; V111-L114 PolarHBondContact O-N 3.19Å; V111-L114 VanDerWaalsContact O-N 3.14Å; S112-L114 VanDerWaalsContact C-N 3.32Å; S112-L114 PolarHBondContact O-N 3.37Å; L114-E116 VanDerWaalsContact C-N 3.29Å; L114-E116 PolarHBondContact O-N 3.01Å; L114-E117 PolarHBondContact O-N 3.28Å; L114-F118 HydrophobicContact CB-CD2 4.49Å; L114-F118 HydrophobicContact CD2-CD2 4.36Å; L114-F118 HydrophobicContact CD2-CE2 3.83Å; L114-F118 VanDerWaalsContact O-CD2 3.25Å; L114-F118 WeakPolarHBondContact O-CD2 3.45Å; L114-F118 PolarHBondContact O-N 3.03Å; L114-I136 HydrophobicContact CD1-CG2 3.5Å; L114-I140 HydrophobicContact CB-CD1 4.31Å; L114-I140 HydrophobicContact CD1-CD1 4.44Å; L114-I140 HydrophobicContact CD2-CD1 3.97Å; L114-I140 HydrophobicContact CG-CD1 4.49Å
115E92.2Very high90.7Very high46 Ų4658.5 Ų58.522%0.21533%0.333CS..Hα-helixtrans-54.3-45.9174.2-72.7-178.6136.900112V111 S112 G119 L120 I122V111-E115 HydrophobicContact CG1-CG 4.48Å; V111-E115 WeakPolarHBondContact O-CG 3.33Å; V111-E115 PolarHBondContact O-N 3.09Å; S112-E115 WeakPolarHBondContact O-CB 3.31Å; S112-E115 PolarHBondContact O-N 3.33Å; E115-G119 CarbonylContact O-C 3.58Å; E115-G119 WeakPolarHBondContact O-CA 3.46Å; E115-G119 PolarHBondContact O-N 3.22Å; E115-L120 WeakPolarHBondContact CA-O 3.34Å; E115-L120 HydrophobicContact CB-CD1 4.44Å; E115-L120 VanDerWaalsContact CB-O 3.28Å; E115-L120 WeakPolarHBondContact CB-O 3.35Å; E115-L120 HydrophobicContact CG-CD1 3.99Å; E115-L120 PolarHBondContact O-N 2.89Å; E115-I122 HydrophobicContact CG-CB 4.31Å; E115-I122 HydrophobicContact CG-CD1 4.38Å; E115-I122 HydrophobicContact CG-CG1 3.95Å; E115-I122 WeakPolarHBondContact OE1-CA 3.43Å; E115-I122 PolarHBondContact OE1-N 2.96Å
116E91.2Very high90.8Very high167 Ų16756 Ų5678%0.7832%0.32SS*.Hα-helixtrans-70.3-41-179.1-167.5173-164.400112.8S112 L114S112-E116 PolarHBondContact O-N 2.86Å; L114-E116 VanDerWaalsContact C-N 3.29Å; L114-E116 PolarHBondContact O-N 3.01Å
117E88.9Confident90.8Very high51 Ų5156.3 Ų56.324%0.23832%0.322CS..Hα-helixtrans-66.5-45.1179.7-178.672.3-132.500111.8R63 W65 R73 I77 A113 L114R63-E117 IonicContact CZ-OE1 3.73Å; R63-E117 IonicContact NH1-OE1 2.75Å; R63-E117 PolarHBondContact NH1-OE1 3.07Å; R63-E117 IonicContact NH2-OE1 3.8Å; W65-E117 HydrophobicContact CH2-CG 4.01Å; W65-E117 HydrophobicContact CZ2-CG 4.24Å; R73-E117 HydrophobicContact CG-CG 4.07Å; R73-E117 IonicContact CZ-OE2 2.83Å; R73-E117 IonicContact NE-OE1 3.87Å; R73-E117 IonicContact NE-OE2 3.69Å; R73-E117 PolarHBondContact NE-OE2 2.75Å; R73-E117 IonicContact NH2-OE1 3.98Å; R73-E117 IonicContact NH2-OE2 2.67Å; R73-E117 PolarHBondContact NH2-OE2 3.1Å; I77-E117 HydrophobicContact CD1-CB 3.92Å; I77-E117 HydrophobicContact CD1-CG 4.01Å; A113-E117 WeakPolarHBondContact O-CB 3.48Å; A113-E117 PolarHBondContact O-N 2.97Å; L114-E117 PolarHBondContact O-N 3.28Å
118F89.6Confident90.8Very high20 Ų2062.3 Ų62.39%0.08835%0.35CS..Hα-helixtrans-91.1-9.1-176.5-64.4-77.6000113.2W65 V70 R73 V74 L114 L120 I140W65-F118 AromaticContact CD2-CD1 3.69Å; W65-F118 HydrophobicContact CD2-CD1 3.69Å; W65-F118 AromaticContact CD2-CE1 3.57Å; W65-F118 HydrophobicContact CD2-CE1 3.57Å; W65-F118 AromaticContact CE2-CD1 3.42Å; W65-F118 VanDerWaalsContact CE2-CD1 3.42Å; W65-F118 AromaticContact CE2-CE1 3.69Å; W65-F118 HydrophobicContact CE3-CD1 4.16Å; W65-F118 AromaticContact CE3-CE1 3.56Å; W65-F118 HydrophobicContact CE3-CE1 3.56Å; W65-F118 HydrophobicContact CG-CD1 4.09Å; W65-F118 HydrophobicContact CG-CE1 4.21Å; W65-F118 HydrophobicContact CH2-CD1 4.12Å; W65-F118 AromaticContact CH2-CE1 3.77Å; W65-F118 HydrophobicContact CH2-CE1 3.77Å; W65-F118 HydrophobicContact CH2-CZ 4.43Å; W65-F118 AromaticContact CZ2-CD1 3.67Å; W65-F118 HydrophobicContact CZ2-CD1 3.67Å; W65-F118 AromaticContact CZ2-CE1 3.81Å; W65-F118 HydrophobicContact CZ2-CE1 3.81Å; W65-F118 HydrophobicContact CZ3-CD1 4.36Å; W65-F118 AromaticContact CZ3-CE1 3.65Å; W65-F118 HydrophobicContact CZ3-CE1 3.65Å; W65-F118 HydrophobicContact CZ3-CZ 4.34Å; W65-F118 AromaticContact NE1-CD1 3.68Å; V70-F118 HydrophobicContact CB-CE1 4.37Å; V70-F118 HydrophobicContact CG1-CE1 4.26Å; V70-F118 HydrophobicContact CG1-CZ 4.16Å; V70-F118 HydrophobicContact CG2-CE1 3.99Å; R73-F118 HydrophobicContact CB-CZ 4Å; R73-F118 HydrophobicContact CG-CZ 4.06Å; V74-F118 HydrophobicContact CG2-CE2 4.05Å; V74-F118 HydrophobicContact CG2-CZ 4.11Å; L114-F118 HydrophobicContact CB-CD2 4.49Å; L114-F118 HydrophobicContact CD2-CD2 4.36Å; L114-F118 HydrophobicContact CD2-CE2 3.83Å; L114-F118 VanDerWaalsContact O-CD2 3.25Å; L114-F118 WeakPolarHBondContact O-CD2 3.45Å; L114-F118 PolarHBondContact O-N 3.03Å; F118-L120 HydrophobicContact CB-CD2 3.36Å; F118-L120 HydrophobicContact CB-CG 3.81Å; F118-L120 HydrophobicContact CG-CD2 4.18Å; F118-I140 HydrophobicContact CB-CG2 4.31Å; F118-I140 HydrophobicContact CD1-CG2 3.74Å; F118-I140 HydrophobicContact CD2-CD1 3.83Å; F118-I140 HydrophobicContact CD2-CG1 4.49Å; F118-I140 HydrophobicContact CD2-CG2 3.93Å; F118-I140 HydrophobicContact CE1-CG2 3.97Å; F118-I140 HydrophobicContact CE2-CD1 3.72Å; F118-I140 HydrophobicContact CE2-CG2 4.18Å; F118-I140 HydrophobicContact CG-CG2 3.72Å; F118-I140 HydrophobicContact CZ-CD1 4.45Å; F118-I140 HydrophobicContact CZ-CG2 4.18Å
119G88Confident90.9Very high71 Ų7164.8 Ų64.873%0.73235%0.354SS*.THydrogen-bonded Turntrans66.138.6-179.800000112.9E115E115-G119 CarbonylContact O-C 3.58Å; E115-G119 WeakPolarHBondContact O-CA 3.46Å; E115-G119 PolarHBondContact O-N 3.22Å
120L88.6Confident90.9Very high30 Ų3061.5 Ų61.516%0.15734%0.339CS..  trans-118.1166-177.755.485.1000110.7E115 F118 I122 I140E115-L120 WeakPolarHBondContact CA-O 3.34Å; E115-L120 HydrophobicContact CB-CD1 4.44Å; E115-L120 VanDerWaalsContact CB-O 3.28Å; E115-L120 WeakPolarHBondContact CB-O 3.35Å; E115-L120 HydrophobicContact CG-CD1 3.99Å; E115-L120 PolarHBondContact O-N 2.89Å; F118-L120 HydrophobicContact CB-CD2 3.36Å; F118-L120 HydrophobicContact CB-CG 3.81Å; F118-L120 HydrophobicContact CG-CD2 4.18Å; L120-I122 HydrophobicContact CD1-CD1 3.54Å; L120-I122 HydrophobicContact CD1-CG1 3.27Å; L120-I140 HydrophobicContact CD2-CB 4.33Å; L120-I140 HydrophobicContact CD2-CG1 4.04Å; L120-I140 HydrophobicContact CD2-CG2 3.89Å
121E89.7Confident90.9Very high179 Ų17964.5 Ų64.584%0.83636%0.355SS*.  trans-125.6116.3179.3-159.1178.4173.600107.5
122I90.6Very high90.9Very high9 Ų965.3 Ų65.35%0.04636%0.36CS..  trans-105.9114.3-178.5-53.4-172.6000107.6V111 E115 L120 D126 L130 Y139V111-I122 HydrophobicContact CG1-CB 4.27Å; V111-I122 HydrophobicContact CG1-CD1 4.29Å; E115-I122 HydrophobicContact CG-CB 4.31Å; E115-I122 HydrophobicContact CG-CD1 4.38Å; E115-I122 HydrophobicContact CG-CG1 3.95Å; E115-I122 WeakPolarHBondContact OE1-CA 3.43Å; E115-I122 PolarHBondContact OE1-N 2.96Å; L120-I122 HydrophobicContact CD1-CD1 3.54Å; L120-I122 HydrophobicContact CD1-CG1 3.27Å; I122-D126 HydrophobicContact CG2-CB 4.16Å; I122-L130 HydrophobicContact CD1-CD1 4.32Å; I122-L130 HydrophobicContact CG2-CD1 4.27Å; I122-Y139 HydrophobicContact CB-CE1 4.46Å; I122-Y139 HydrophobicContact CD1-CD1 4.15Å; I122-Y139 HydrophobicContact CD1-CE1 4.11Å; I122-Y139 HydrophobicContact CG1-CD1 4.46Å; I122-Y139 HydrophobicContact CG1-CE1 3.93Å; I122-Y139 HydrophobicContact CG2-CE1 4.01Å
123P92.5Very high91Very high65 Ų6562.5 Ų62.542%0.42234%0.34SS..  trans-65.1145.6176.327.3-32.4000110.7S125 D126 S127P123-S125 PolarHBondContact O-N 3.01Å; P123-D126 HydrophobicContact CG-CB 4.02Å; P123-D126 PolarHBondContact O-N 2.75Å; P123-S127 PolarHBondContact O-N 3.31Å
124D90.3Very high90.9Very high123 Ų12365.4 Ų65.466%0.65835%0.348SS*.Hα-helixtrans-49.5-41.4-178.8-68.2-38000112.3D126 S127 E128D124-D126 PolarHBondContact O-N 2.8Å; D124-S127 WeakPolarHBondContact CA-OG 3.49Å; D124-S127 PolarHBondContact O-N 3.5Å; D124-S127 VanDerWaalsContact O-N 3.1Å; D124-S127 PolarHBondContact O-OG 2.82Å; D124-E128 WeakPolarHBondContact O-CG 3.41Å; D124-E128 PolarHBondContact O-N 3.06Å
125S91.9Very high91Very high79 Ų7969.3 Ų69.355%0.55237%0.366SS*.Hα-helixtrans-63-24.2179.9-480000115.2P123 K129P123-S125 PolarHBondContact O-N 3.01Å; S125-K129 VanDerWaalsContact O-CE 3.22Å; S125-K129 WeakPolarHBondContact O-CE 3.16Å; S125-K129 PolarHBondContact O-NZ 3.06Å
126D92.2Very high91Very high49 Ų4967.1 Ų67.126%0.26236%0.356SS..Hα-helixtrans-89.1-41.7171.9-75-8.5000109.8I122 P123 D124 E128 K129 L130 Y139I122-D126 HydrophobicContact CG2-CB 4.16Å; P123-D126 HydrophobicContact CG-CB 4.02Å; P123-D126 PolarHBondContact O-N 2.75Å; D124-D126 PolarHBondContact O-N 2.8Å; D126-E128 VanDerWaalsContact C-N 3.29Å; D126-E128 PolarHBondContact O-N 3.11Å; D126-K129 WeakPolarHBondContact O-CB 3.45Å; D126-K129 PolarHBondContact O-N 3.39Å; D126-L130 WeakPolarHBondContact O-CG 3.43Å; D126-L130 PolarHBondContact O-N 3.07Å; D126-Y139 HydrophobicContact CB-CE2 4.02Å; D126-Y139 WeakPolarHBondContact OD2-CE2 3.22Å; D126-Y139 PolarHBondContact OD2-OH 3.09Å
127S90.8Very high91Very high7 Ų759.2 Ų59.25%0.04932%0.319CS..Hα-helixtrans-54.2-43.8179.382.30000112.4H107 P123 D124 K129 L130H107-S127 PolarHBondContact CE1-O 3.39Å; H107-S127 PolarHBondContact NE2-O 2.92Å; P123-S127 PolarHBondContact O-N 3.31Å; D124-S127 WeakPolarHBondContact CA-OG 3.49Å; D124-S127 PolarHBondContact O-N 3.5Å; D124-S127 VanDerWaalsContact O-N 3.1Å; D124-S127 PolarHBondContact O-OG 2.82Å; S127-K129 PolarHBondContact O-N 3.36Å; S127-K129 VanDerWaalsContact O-N 3.09Å; S127-L130 WeakPolarHBondContact O-CB 3.38Å; S127-L130 PolarHBondContact O-N 3.22Å
128E90.1Very high91.2Very high143 Ų14361.3 Ų61.367%0.66833%0.329SS*.THydrogen-bonded Turntrans-61.1-22.5-179.9-72.6179.117500113.5D124 D126D124-E128 WeakPolarHBondContact O-CG 3.41Å; D124-E128 PolarHBondContact O-N 3.06Å; D126-E128 VanDerWaalsContact C-N 3.29Å; D126-E128 PolarHBondContact O-N 3.11Å
129K90.7Very high91.3Very high136 Ų13661.8 Ų61.859%0.59133%0.33SS*.THydrogen-bonded Turntrans-91.4-16.2178.4-59.5171.8-169.3149.20112.4S125 D126 S127 L131S125-K129 VanDerWaalsContact O-CE 3.22Å; S125-K129 WeakPolarHBondContact O-CE 3.16Å; S125-K129 PolarHBondContact O-NZ 3.06Å; D126-K129 WeakPolarHBondContact O-CB 3.45Å; D126-K129 PolarHBondContact O-N 3.39Å; S127-K129 PolarHBondContact O-N 3.36Å; S127-K129 VanDerWaalsContact O-N 3.09Å; K129-L131 PolarHBondContact O-N 2.85Å
130L91.9Very high91.4Very high13 Ų1358.4 Ų58.47%0.06830%0.295CS..  trans-81.585.2179.9-64.7179.5000109.6H107 I122 D126 S127 E135 I136 Y139H107-L130 PolarHBondContact NE2-O 3.48Å; I122-L130 HydrophobicContact CD1-CD1 4.32Å; I122-L130 HydrophobicContact CG2-CD1 4.27Å; D126-L130 WeakPolarHBondContact O-CG 3.43Å; D126-L130 PolarHBondContact O-N 3.07Å; S127-L130 WeakPolarHBondContact O-CB 3.38Å; S127-L130 PolarHBondContact O-N 3.22Å; L130-E135 HydrophobicContact CD2-CB 4.11Å; L130-I136 HydrophobicContact CB-CD1 4.47Å; L130-I136 HydrophobicContact CB-CG1 3.73Å; L130-I136 HydrophobicContact CD1-CG1 4.35Å; L130-I136 HydrophobicContact CG-CG1 4.42Å; L130-Y139 HydrophobicContact CD1-CD1 4.21Å; L130-Y139 HydrophobicContact CD1-CG 4.12Å; L130-Y139 HydrophobicContact CD2-CD2 4.24Å; L130-Y139 HydrophobicContact CD2-CG 4.15Å
131L91Very high91.5Very high62 Ų6258.2 Ų58.233%0.32530%0.296SS..  trans-102.4-26.5-172.5-66.8178.9000113.1H95 L96 K129 E135H95-L131 WeakPolarHBondContact CA-O 3.3Å; L96-L131 WeakPolarHBondContact CG-O 3.48Å; L96-L131 PolarHBondContact N-O 3.34Å; K129-L131 PolarHBondContact O-N 2.85Å; L131-E135 PolarHBondContact N-OE2 3.41Å
132T92.5Very high91.4Very high27 Ų2756.6 Ų56.617%0.16629%0.288CS..BIsolated β-bridgetrans-111.8153.1178.666.10000112.3T94 H95 H134 E135 I136T94-T132 WeakPolarHBondContact O-CA 3.31Å; H95-T132 HydrophobicContact CB-CG2 4.39Å; T132-H134 PolarHBondContact O-N 3.13Å; T132-E135 WeakPolarHBondContact CB-OE2 3.32Å; T132-E135 PolarHBondContact N-OE2 3.13Å; T132-E135 PolarHBondContact O-N 2.68Å; T132-E135 WeakPolarHBondContact OG1-CB 3.43Å; T132-E135 WeakPolarHBondContact OG1-CG 3.15Å; T132-E135 PolarHBondContact OG1-N 2.96Å; T132-E135 PolarHBondContact OG1-OE2 2.95Å; T132-I136 WeakPolarHBondContact O-CG1 3.41Å; T132-I136 PolarHBondContact O-N 3.24Å; T132-I136 VanDerWaalsContact O-N 3.12Å
133V92.4Very high91.1Very high2 Ų262.3 Ų62.31%0.01231%0.313CS..Hα-helixtrans-58.8-38.8177.6-177.10000111.4V74 I75 I78 V90 T94 I136 G137V74-V133 HydrophobicContact CG1-CG1 3.95Å; I75-V133 HydrophobicContact CG1-CG1 3.83Å; I78-V133 HydrophobicContact CD1-CB 4.44Å; I78-V133 HydrophobicContact CD1-CG1 4.17Å; I78-V133 HydrophobicContact CD1-CG2 3.84Å; V90-V133 HydrophobicContact CG1-CG2 3.74Å; T94-V133 PolarHBondContact O-N 2.82Å; V133-I136 PolarHBondContact O-N 2.83Å; V133-G137 PolarHBondContact O-N 3.01Å
134H92.2Very high90.3Very high94 Ų9460 Ų6044%0.43530%0.299SS..Hα-helixtrans-63.1-44.7177.6-17868.8000112.6P92 T132 I136 G137 Q138P92-H134 HydrophobicContact CB-CB 4.21Å; P92-H134 WeakPolarHBondContact O-CB 3.46Å; P92-H134 PolarHBondContact O-N 3.38Å; T132-H134 PolarHBondContact O-N 3.13Å; H134-I136 VanDerWaalsContact C-N 3.33Å; H134-I136 PolarHBondContact O-N 3.4Å; H134-G137 PolarHBondContact O-N 2.96Å; H134-Q138 WeakPolarHBondContact O-CB 3.37Å; H134-Q138 PolarHBondContact O-N 2.78Å
135E93.1Very high89.2Confident83 Ų8361.8 Ų61.839%0.38831%0.309SS..Hα-helixtrans-62.3-42.7177.5-73.3165.114200111.3L130 L131 T132 Q138 Y139L130-E135 HydrophobicContact CD2-CB 4.11Å; L131-E135 PolarHBondContact N-OE2 3.41Å; T132-E135 WeakPolarHBondContact CB-OE2 3.32Å; T132-E135 PolarHBondContact N-OE2 3.13Å; T132-E135 PolarHBondContact O-N 2.68Å; T132-E135 WeakPolarHBondContact OG1-CB 3.43Å; T132-E135 WeakPolarHBondContact OG1-CG 3.15Å; T132-E135 PolarHBondContact OG1-N 2.96Å; T132-E135 PolarHBondContact OG1-OE2 2.95Å; E135-Q138 PolarHBondContact O-N 3.23Å; E135-Y139 VanDerWaalsContact O-CB 3.31Å; E135-Y139 WeakPolarHBondContact O-CB 3.5Å; E135-Y139 PolarHBondContact O-N 3.15Å
136I92.5Very high87.9Confident0 Ų059.5 Ų59.50%029%0.292CS..Hα-helixtrans-60.7-52.4176-69.4169000110.7V74 L96 L114 L130 T132 V133 H134 Q138 Y139 I140V74-I136 HydrophobicContact CG1-CB 4.3Å; V74-I136 HydrophobicContact CG1-CG2 3.67Å; V74-I136 HydrophobicContact CG2-CG2 4.19Å; L96-I136 HydrophobicContact CD1-CD1 3.55Å; L96-I136 HydrophobicContact CG-CD1 4.42Å; L114-I136 HydrophobicContact CD1-CG2 3.5Å; L130-I136 HydrophobicContact CB-CD1 4.47Å; L130-I136 HydrophobicContact CB-CG1 3.73Å; L130-I136 HydrophobicContact CD1-CG1 4.35Å; L130-I136 HydrophobicContact CG-CG1 4.42Å; T132-I136 WeakPolarHBondContact O-CG1 3.41Å; T132-I136 PolarHBondContact O-N 3.24Å; T132-I136 VanDerWaalsContact O-N 3.12Å; V133-I136 PolarHBondContact O-N 2.83Å; H134-I136 VanDerWaalsContact C-N 3.33Å; H134-I136 PolarHBondContact O-N 3.4Å; I136-Q138 VanDerWaalsContact C-N 3.29Å; I136-Q138 PolarHBondContact O-N 2.94Å; I136-Y139 PolarHBondContact O-N 3.06Å; I136-I140 HydrophobicContact CG2-CD1 3.68Å; I136-I140 HydrophobicContact CG2-CG1 4.47Å; I136-I140 VanDerWaalsContact O-CG1 3.31Å; I136-I140 WeakPolarHBondContact O-CG1 3.49Å; I136-I140 PolarHBondContact O-N 3.31Å
137G92Very high86.3Confident0 Ų060 Ų600%030%0.297CS..Hα-helixtrans-59-41.6179.700000112.1V133 H134 C141V133-G137 PolarHBondContact O-N 3.01Å; H134-G137 PolarHBondContact O-N 2.96Å; G137-C141 WeakPolarHBondContact O-CB 3.43Å; G137-C141 PolarHBondContact O-N 2.88Å; G137-C141 PolarHBondContact O-SG 3.47Å
138Q91.8Very high84.4Confident95 Ų9572 Ų7244%0.44435%0.352SS..Hα-helixtrans-67-42.1176.7-172.7178.6-39.400112.2H134 E135 I136 C141 Q142H134-Q138 WeakPolarHBondContact O-CB 3.37Å; H134-Q138 PolarHBondContact O-N 2.78Å; E135-Q138 PolarHBondContact O-N 3.23Å; I136-Q138 VanDerWaalsContact C-N 3.29Å; I136-Q138 PolarHBondContact O-N 2.94Å; Q138-C141 PolarHBondContact O-N 3.31Å; Q138-Q142 WeakPolarHBondContact O-CG 3.31Å; Q138-Q142 PolarHBondContact O-N 3.12Å
139Y92.5Very high84.2Confident30 Ų3068.5 Ų68.512%0.11834%0.336CS..Hα-helixtrans-61.4-46.2177.4-172.1-87.8000111.2I122 D126 L130 E135 I136 C141 Q142 K143I122-Y139 HydrophobicContact CB-CE1 4.46Å; I122-Y139 HydrophobicContact CD1-CD1 4.15Å; I122-Y139 HydrophobicContact CD1-CE1 4.11Å; I122-Y139 HydrophobicContact CG1-CD1 4.46Å; I122-Y139 HydrophobicContact CG1-CE1 3.93Å; I122-Y139 HydrophobicContact CG2-CE1 4.01Å; D126-Y139 HydrophobicContact CB-CE2 4.02Å; D126-Y139 WeakPolarHBondContact OD2-CE2 3.22Å; D126-Y139 PolarHBondContact OD2-OH 3.09Å; L130-Y139 HydrophobicContact CD1-CD1 4.21Å; L130-Y139 HydrophobicContact CD1-CG 4.12Å; L130-Y139 HydrophobicContact CD2-CD2 4.24Å; L130-Y139 HydrophobicContact CD2-CG 4.15Å; E135-Y139 VanDerWaalsContact O-CB 3.31Å; E135-Y139 WeakPolarHBondContact O-CB 3.5Å; E135-Y139 PolarHBondContact O-N 3.15Å; I136-Y139 PolarHBondContact O-N 3.06Å; Y139-C141 VanDerWaalsContact C-N 3.33Å; Y139-C141 PolarHBondContact O-N 3.3Å; Y139-Q142 PolarHBondContact O-N 3.3Å; Y139-K143 HydrophobicContact CD1-CG 4.12Å; Y139-K143 HydrophobicContact CE1-CG 3.71Å; Y139-K143 PolarHBondContact O-N 3.39Å; Y139-K143 WeakPolarHBondContact OH-CE 3.43Å
140I91Very high83.8Confident1 Ų164.9 Ų64.91%0.00532%0.322CS..Hα-helixtrans-62.3-42.5176.3-65.7168000110.2V70 V74 L114 F118 L120 I136 Q142 K143 A144V70-I140 HydrophobicContact CG1-CB 3.83Å; V70-I140 HydrophobicContact CG1-CG2 3.57Å; V70-I140 HydrophobicContact CG2-CG2 4.24Å; V74-I140 HydrophobicContact CG2-CD1 3.62Å; L114-I140 HydrophobicContact CB-CD1 4.31Å; L114-I140 HydrophobicContact CD1-CD1 4.44Å; L114-I140 HydrophobicContact CD2-CD1 3.97Å; L114-I140 HydrophobicContact CG-CD1 4.49Å; F118-I140 HydrophobicContact CB-CG2 4.31Å; F118-I140 HydrophobicContact CD1-CG2 3.74Å; F118-I140 HydrophobicContact CD2-CD1 3.83Å; F118-I140 HydrophobicContact CD2-CG1 4.49Å; F118-I140 HydrophobicContact CD2-CG2 3.93Å; F118-I140 HydrophobicContact CE1-CG2 3.97Å; F118-I140 HydrophobicContact CE2-CD1 3.72Å; F118-I140 HydrophobicContact CE2-CG2 4.18Å; F118-I140 HydrophobicContact CG-CG2 3.72Å; F118-I140 HydrophobicContact CZ-CD1 4.45Å; F118-I140 HydrophobicContact CZ-CG2 4.18Å; L120-I140 HydrophobicContact CD2-CB 4.33Å; L120-I140 HydrophobicContact CD2-CG1 4.04Å; L120-I140 HydrophobicContact CD2-CG2 3.89Å; I136-I140 HydrophobicContact CG2-CD1 3.68Å; I136-I140 HydrophobicContact CG2-CG1 4.47Å; I136-I140 VanDerWaalsContact O-CG1 3.31Å; I136-I140 WeakPolarHBondContact O-CG1 3.49Å; I136-I140 PolarHBondContact O-N 3.31Å; I140-Q142 VanDerWaalsContact C-N 3.27Å; I140-Q142 PolarHBondContact O-N 3.43Å; I140-K143 PolarHBondContact O-N 3.17Å; I140-A144 HydrophobicContact CG2-CB 4.34Å; I140-A144 WeakPolarHBondContact O-CB 3.18Å; I140-A144 PolarHBondContact O-N 2.7Å
141C89.2Confident83.4Confident26 Ų2667.8 Ų67.818%0.17634%0.337CS..Hα-helixtrans-62.5-31.1176.6-71.30000113.9G137 Q138 Y139 V146G137-C141 WeakPolarHBondContact O-CB 3.43Å; G137-C141 PolarHBondContact O-N 2.88Å; G137-C141 PolarHBondContact O-SG 3.47Å; Q138-C141 PolarHBondContact O-N 3.31Å; Y139-C141 VanDerWaalsContact C-N 3.33Å; Y139-C141 PolarHBondContact O-N 3.3Å; C141-V146 HydrophobicContact CB-CG2 4.29Å
142Q88Confident82.9Confident144 Ų14468.1 Ų68.167%0.67334%0.337SS*.Hα-helixtrans-79.1-30.6177.3-73.5-1786.400113.1Q138 Y139 I140Q138-Q142 WeakPolarHBondContact O-CG 3.31Å; Q138-Q142 PolarHBondContact O-N 3.12Å; Y139-Q142 PolarHBondContact O-N 3.3Å; I140-Q142 VanDerWaalsContact C-N 3.27Å; I140-Q142 PolarHBondContact O-N 3.43Å
143K85Confident82.3Confident130 Ų13070.7 Ų70.757%0.56535%0.348SS*.Hα-helixtrans-95-40.9-175.4-71.4-70.2-169.7168.90113.4Y139 I140Y139-K143 HydrophobicContact CD1-CG 4.12Å; Y139-K143 HydrophobicContact CE1-CG 3.71Å; Y139-K143 PolarHBondContact O-N 3.39Å; Y139-K143 WeakPolarHBondContact OH-CE 3.43Å; I140-K143 PolarHBondContact O-N 3.17Å
144A75Confident81.7Confident15 Ų1575.3 Ų75.312%0.12437%0.37CS..THydrogen-bonded Turntrans-70.5141.6168.900000107.9I140 V146I140-A144 HydrophobicContact CG2-CB 4.34Å; I140-A144 WeakPolarHBondContact O-CB 3.18Å; I140-A144 PolarHBondContact O-N 2.7Å; A144-V146 HydrophobicContact CB-CG2 3.87Å; A144-V146 PolarHBondContact O-N 3.36Å
145N67.3Low80.9Confident162 Ų16273.9 Ų73.987%0.86637%0.366SS*.THydrogen-bonded Turntrans-67.767.7171.9-96-20.9000110
146V65.8Low80Confident31 Ų3173.2 Ų73.219%0.18836%0.364CS..  trans-74.7126178.51780000108W65 V70 C141 A144W65-V146 HydrophobicContact CB-CG2 4.17Å; W65-V146 WeakPolarHBondContact O-CA 3.37Å; W65-V146 VanDerWaalsContact O-CG1 3.28Å; W65-V146 WeakPolarHBondContact O-CG1 3.28Å; V70-V146 HydrophobicContact CG2-CG2 4.07Å; C141-V146 HydrophobicContact CB-CG2 4.29Å; A144-V146 HydrophobicContact CB-CG2 3.87Å; A144-V146 PolarHBondContact O-N 3.36Å
147T57.7Low78.9Confident60 Ų6079.3 Ų79.337%0.36839%0.394SS..  trans-83.3125.117139.20000108.6K64 W65K64-T147 HydrophobicContact CD-CG2 4.02Å; W65-T147 PolarHBondContact O-N 3.35Å
148E51.8Low77.7Confident258 Ų25886.5 Ų86.5100%1.20643%0.43SS*.  trans-60.20169.8-71.7-172.4113.400112.5

Retrieved 148 of 148 residues in 328 ms (Link to these results)