A0A096NJ78_PAPAN Loading...

Dynein light intermediate chain

Acts as one of several non-catalytic accessory components of the cytoplasmic dynein 1 complex that are thought to be involved in linking dynein to cargos and to adapter proteins that regulate dynein function. Cytoplasmic dynein 1 acts as a motor for the intracellular retrograde motility of vesicles and organelles along microtubules. May play a role in binding dynein to membranous organelles or chromosomes.

AlphaFold DB (O43237), UniProt , Accession A0A096NJ78, Species PAPAN (Papio anubis, Olive baboon), Gene DYNC1LI2, Length 492 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
1M36.3Very low39.4Very low257 Ų257155 Ų155100%1.26686%0.857SS**  090.90-113.2171.3168.400107.5
2A42.2Very low39Very low91 Ų91157 Ų15775%0.75286%0.864SS**  trans165.2110.8169.500000103.5
3P43.4Very low38.8Very low135 Ų135150.3 Ų150.388%0.87785%0.853SS**  trans-87.3140.6-167.533.2-30.4000112.1
4V37.6Very low38.9Very low132 Ų132148.1 Ų148.180%0.885%0.847SS**  trans-73.7118.8173.2173.40000109V6V4-V6 HydrophobicContact CG1-CG2 4.32Å
5G41.2Very low38.9Very low76 Ų76149.8 Ų149.878%0.78485%0.853SS**  trans-87109.3172.800000111.1
6V39.7Very low38.8Very low117 Ų117144.8 Ų144.871%0.70984%0.844SS**  trans-90.1111.6173.9177.30000108.1V4V4-V6 HydrophobicContact CG1-CG2 4.32Å
7E38.3Very low39.1Very low197 Ų197144.1 Ų144.192%0.92185%0.846SS**PPolyproline II helixtrans-82.4117.6170.9-77.8-170.5121.800111
8K39.6Very low38.9Very low188 Ų188141.3 Ų141.382%0.81784%0.842SS**PPolyproline II helixtrans-87.6124.9173.1-82.8179.1175.4174.70110.3
9K33.7Very low39Very low202 Ų202141.1 Ų141.188%0.87884%0.841SS**PPolyproline II helixtrans-62.1121165.5-166.5168.7-174.8174.20111.3
10L40.9Very low38.9Very low152 Ų152138.5 Ų138.580%0.79684%0.835SS**  trans-141.997.1166.7-86.3161.5000107.2
11L40Very low38.7Very low158 Ų158136.8 Ų136.883%0.82784%0.836SS**  71.4103.790.8-86.9160.1000114.5
12L35.2Very low38.8Very low179 Ų179129.7 Ų129.794%0.93782%0.819SS**  trans-41.9143.8166.8-12573.2000115.3
13G35.9Very low38.5Very low70 Ų70127.9 Ų127.972%0.72281%0.808SS**  trans175.3111.616300000113.2
14P40.9Very low38.4Very low119 Ų119128.1 Ų128.177%0.77380%0.803SS**  trans-98.4154.4-160.137.7-33.9000114.2
15N38.7Very low39Very low174 Ų174128.8 Ų128.893%0.9380%0.801SS**  trans-162.7116.9152.6-97.5-24.7000109.9
16G37.6Very low39.6Very low70 Ų70129.9 Ų129.972%0.72279%0.792SS**  trans-83.9-157.6174.800000113.2
17P42.8Very low40.4Very low133 Ų133126.1 Ų126.186%0.86477%0.771SS**  -126.1148.3-79.735.1-24.4000110.9
18A36.2Very low41.4Very low94 Ų94123.3 Ų123.378%0.77776%0.758SS**  trans-158.5128.3169.200000113.1
19V41.3Very low42.4Very low137 Ų137121.1 Ų121.183%0.8375%0.751SS**  trans85.693.3147.9-159.10000118.9
20A36.3Very low43.7Very low88 Ų88118 Ų11873%0.72774%0.74SS**  55.1115.8121.300000121.1
21A34Very low44.9Very low103 Ų103117 Ų11785%0.85173%0.731SS**  63.174.5125.400000118.5
22A40.3Very low46.4Very low109 Ų109110.7 Ų110.790%0.90170%0.704SS**  trans-17790146.400000108.8
23G35.6Very low48.2Very low52 Ų52108.3 Ų108.354%0.53669%0.688SS.*  trans-158.318.4-171.700000118.2
24D41.5Very low50.3Low141 Ų141108.2 Ų108.275%0.75468%0.676SS**SBendtrans-101.612.8-172.9-128.218.6000114.5
25L49Very low52.4Low146 Ų146107.5 Ų107.576%0.76467%0.665SS**SBendtrans-121.4-13.3179.1-77.2158.2000113.6
26T53.9Low54.5Low98 Ų98107.3 Ų107.360%0.60165%0.651SS**SBendtrans-96.4-20.2177.450.70000112.7E30T26-E30 PolarHBondContact O-N 2.91Å
27S56.7Low56.7Low38 Ų38107.5 Ų107.527%0.26664%0.642SS.*Hα-helixtrans-67.2-38.7175.437.30000112.2E29 E30 E31S27-E29 PolarHBondContact O-N 3.42Å; S27-E30 PolarHBondContact O-N 2.83Å; S27-E31 WeakPolarHBondContact O-CB 3.33Å; S27-E31 WeakPolarHBondContact O-CG 3.36Å; S27-E31 PolarHBondContact O-N 3.35Å
28E59.8Low58.7Low138 Ų138104.1 Ų104.165%0.64562%0.621SS**Hα-helixtrans-68.2-32.4-178.1-62.6-166.4157.200113G32E28-G32 PolarHBondContact O-N 3.45Å
29E60.6Low61Low142 Ų142102.8 Ų102.866%0.66460%0.6SS**Hα-helixtrans-74.5-35.8175.8-68-169.2164.200112.3S27 G32 Q33S27-E29 PolarHBondContact O-N 3.42Å; E29-G32 PolarHBondContact O-N 2.65Å; E29-Q33 WeakPolarHBondContact O-CG 3.43Å; E29-Q33 PolarHBondContact O-N 3.48Å
30E61Low62.9Low138 Ų138101.8 Ų101.865%0.64559%0.59SS**Hα-helixtrans-71.1-35.7172.5-74.7-172.8161.100112T26 S27 Q33 S34T26-E30 PolarHBondContact O-N 2.91Å; S27-E30 PolarHBondContact O-N 2.83Å; E30-Q33 PolarHBondContact O-N 3.43Å; E30-S34 WeakPolarHBondContact O-CB 3.24Å; E30-S34 PolarHBondContact O-N 2.97Å; E30-S34 PolarHBondContact O-OG 3.46Å
31E66.6Low65.1Low130 Ų130100.6 Ų100.661%0.60758%0.576SS**Hα-helixtrans-64.6-39.9170.6-77.9-176.5-178.900111.2S27 S34 L35S27-E31 WeakPolarHBondContact O-CB 3.33Å; S27-E31 WeakPolarHBondContact O-CG 3.36Å; S27-E31 PolarHBondContact O-N 3.35Å; E31-S34 VanDerWaalsContact CA-OG 3.29Å; E31-S34 WeakPolarHBondContact CA-OG 3.19Å; E31-S34 PolarHBondContact O-N 3.23Å; E31-S34 PolarHBondContact O-OG 3.36Å; E31-L35 WeakPolarHBondContact O-CB 3.29Å; E31-L35 PolarHBondContact O-N 2.8Å
32G71.3Confident67.5Low25 Ų2599.5 Ų99.526%0.25855%0.553SS.*Hα-helixtrans-60.4-46.3171.800000112.5E28 E29 L35 W36E28-G32 PolarHBondContact O-N 3.45Å; E29-G32 PolarHBondContact O-N 2.65Å; G32-L35 PolarHBondContact O-N 3.01Å; G32-W36 PolarHBondContact O-N 2.84Å
33Q71.9Confident69.4Low130 Ų13098.6 Ų98.661%0.60754%0.536SS*.Hα-helixtrans-67.5-38.3178.4-70.8176.629.600112.6E29 E30 W36 S37E29-Q33 WeakPolarHBondContact O-CG 3.43Å; E29-Q33 PolarHBondContact O-N 3.48Å; E30-Q33 PolarHBondContact O-N 3.43Å; Q33-W36 PolarHBondContact O-N 3.36Å; Q33-S37 WeakPolarHBondContact O-CB 3.38Å; Q33-S37 PolarHBondContact O-N 3.01Å; Q33-S37 PolarHBondContact O-OG 2.75Å
34S80.6Confident71.1Confident68 Ų6899.1 Ų99.148%0.47653%0.532SS..Hα-helixtrans-71.7-31.617559.90000112.4E30 E31 S37 S38E30-S34 WeakPolarHBondContact O-CB 3.24Å; E30-S34 PolarHBondContact O-N 2.97Å; E30-S34 PolarHBondContact O-OG 3.46Å; E31-S34 VanDerWaalsContact CA-OG 3.29Å; E31-S34 WeakPolarHBondContact CA-OG 3.19Å; E31-S34 PolarHBondContact O-N 3.23Å; E31-S34 PolarHBondContact O-OG 3.36Å; S34-S37 PolarHBondContact O-N 3.12Å; S34-S38 WeakPolarHBondContact O-CB 3.36Å; S34-S38 PolarHBondContact O-N 2.77Å
35L84.1Confident72.5Confident104 Ų10496.5 Ų96.555%0.54552%0.521SS..Hα-helixtrans-65.3-46.7171.2-168.477.4000110.9E31 G32 S37 S38 I39E31-L35 WeakPolarHBondContact O-CB 3.29Å; E31-L35 PolarHBondContact O-N 2.8Å; G32-L35 PolarHBondContact O-N 3.01Å; L35-S37 VanDerWaalsContact C-N 3.33Å; L35-S37 PolarHBondContact O-N 2.95Å; L35-S38 PolarHBondContact O-N 3.43Å; L35-I39 HydrophobicContact CD2-CD1 4.27Å; L35-I39 HydrophobicContact CG-CD1 3.88Å; L35-I39 WeakPolarHBondContact O-CB 3.22Å; L35-I39 VanDerWaalsContact O-CG1 3.24Å; L35-I39 WeakPolarHBondContact O-CG1 3.31Å; L35-I39 PolarHBondContact O-N 2.7Å
36W83Confident73.1Confident169 Ų16997.3 Ų97.364%0.6451%0.514SS*.Hα-helixtrans-61.9-40.8173.8-72.2115.4000112G32 Q33 S38 I39 L40G32-W36 PolarHBondContact O-N 2.84Å; Q33-W36 PolarHBondContact O-N 3.36Å; W36-S38 VanDerWaalsContact C-N 3.32Å; W36-S38 PolarHBondContact O-N 3.35Å; W36-I39 PolarHBondContact O-N 3.48Å; W36-L40 VanDerWaalsContact O-CB 3.25Å; W36-L40 WeakPolarHBondContact O-CB 3.45Å; W36-L40 WeakPolarHBondContact O-CG 3.49Å; W36-L40 PolarHBondContact O-N 2.78Å
37S84.9Confident73.3Confident74 Ų7495.5 Ų95.552%0.51751%0.509SS..Hα-helixtrans-62.4-41.5175.2-55.50000111.5Q33 S34 L35 S41Q33-S37 WeakPolarHBondContact O-CB 3.38Å; Q33-S37 PolarHBondContact O-N 3.01Å; Q33-S37 PolarHBondContact O-OG 2.75Å; S34-S37 PolarHBondContact O-N 3.12Å; L35-S37 VanDerWaalsContact C-N 3.33Å; L35-S37 PolarHBondContact O-N 2.95Å; S37-S41 VanDerWaalsContact O-CB 3.26Å; S37-S41 WeakPolarHBondContact O-CB 3.21Å; S37-S41 PolarHBondContact O-N 3.15Å
38S83.2Confident73.1Confident62 Ų62103.2 Ų103.243%0.43453%0.532SS..Hα-helixtrans-68.7-45.8178.2-170.30000111.5S34 L35 W36 L40 S41 E42S34-S38 WeakPolarHBondContact O-CB 3.36Å; S34-S38 PolarHBondContact O-N 2.77Å; L35-S38 PolarHBondContact O-N 3.43Å; W36-S38 VanDerWaalsContact C-N 3.32Å; W36-S38 PolarHBondContact O-N 3.35Å; S38-L40 PolarHBondContact O-N 3.25Å; S38-S41 WeakPolarHBondContact CA-OG 3.19Å; S38-S41 CarbonylContact O-C 3.52Å; S38-S41 WeakPolarHBondContact O-CB 3.26Å; S38-S41 PolarHBondContact O-N 2.74Å; S38-S41 VanDerWaalsContact O-N 3.15Å; S38-S41 PolarHBondContact O-OG 2.83Å; S38-E42 VanDerWaalsContact O-CB 3.31Å; S38-E42 WeakPolarHBondContact O-CB 3.31Å; S38-E42 PolarHBondContact O-N 3.48Å
39I85.5Confident72.8Confident66 Ų66100.5 Ų100.534%0.33853%0.529SS..Hα-helixtrans-63-42.7174.9-66.9164.3000110.5L35 W36 S41 E42 V43L35-I39 HydrophobicContact CD2-CD1 4.27Å; L35-I39 HydrophobicContact CG-CD1 3.88Å; L35-I39 WeakPolarHBondContact O-CB 3.22Å; L35-I39 VanDerWaalsContact O-CG1 3.24Å; L35-I39 WeakPolarHBondContact O-CG1 3.31Å; L35-I39 PolarHBondContact O-N 2.7Å; W36-I39 PolarHBondContact O-N 3.48Å; I39-S41 VanDerWaalsContact C-N 3.31Å; I39-S41 PolarHBondContact O-N 3.47Å; I39-E42 PolarHBondContact O-N 2.79Å; I39-V43 HydrophobicContact CG2-CG2 4.12Å; I39-V43 VanDerWaalsContact O-CB 3.31Å; I39-V43 WeakPolarHBondContact O-CB 3.25Å; I39-V43 WeakPolarHBondContact O-CG2 3.38Å; I39-V43 PolarHBondContact O-N 2.68Å
40L81.6Confident72.6Confident117 Ų117100.5 Ų100.561%0.61353%0.527SS*.Hα-helixtrans-66.5-35.1175.5-71.4171.7000111.5W36 S38 S44W36-L40 VanDerWaalsContact O-CB 3.25Å; W36-L40 WeakPolarHBondContact O-CB 3.45Å; W36-L40 WeakPolarHBondContact O-CG 3.49Å; W36-L40 PolarHBondContact O-N 2.78Å; S38-L40 PolarHBondContact O-N 3.25Å; L40-S44 WeakPolarHBondContact O-CB 3.45Å; L40-S44 PolarHBondContact O-N 3.32Å
41S82.2Confident72.6Confident62 Ų6295.2 Ų95.243%0.43450%0.503SS..Hα-helixtrans-68.4-36.5172.882.90000112.1S37 S38 I39 S44 T45S37-S41 VanDerWaalsContact O-CB 3.26Å; S37-S41 WeakPolarHBondContact O-CB 3.21Å; S37-S41 PolarHBondContact O-N 3.15Å; S38-S41 WeakPolarHBondContact CA-OG 3.19Å; S38-S41 CarbonylContact O-C 3.52Å; S38-S41 WeakPolarHBondContact O-CB 3.26Å; S38-S41 PolarHBondContact O-N 2.74Å; S38-S41 VanDerWaalsContact O-N 3.15Å; S38-S41 PolarHBondContact O-OG 2.83Å; I39-S41 VanDerWaalsContact C-N 3.31Å; I39-S41 PolarHBondContact O-N 3.47Å; S41-S44 PolarHBondContact O-N 3.27Å; S41-T45 WeakPolarHBondContact O-CB 3.29Å; S41-T45 VanDerWaalsContact O-CG2 3.27Å; S41-T45 WeakPolarHBondContact O-CG2 3.42Å; S41-T45 PolarHBondContact O-N 2.94Å; S41-T45 PolarHBondContact O-OG1 2.91Å
42E83.4Confident72.4Confident80 Ų8091.9 Ų91.937%0.37449%0.492SS..Hα-helixtrans-75.4-41179.5-169.7173-167.600111.2S38 I39 S44 T45 R46S38-E42 VanDerWaalsContact O-CB 3.31Å; S38-E42 WeakPolarHBondContact O-CB 3.31Å; S38-E42 PolarHBondContact O-N 3.48Å; I39-E42 PolarHBondContact O-N 2.79Å; E42-S44 VanDerWaalsContact C-N 3.32Å; E42-T45 VanDerWaalsContact CA-OG1 3.29Å; E42-T45 WeakPolarHBondContact CA-OG1 3.42Å; E42-T45 PolarHBondContact O-N 3.4Å; E42-T45 PolarHBondContact O-OG1 2.85Å; E42-R46 HydrophobicContact CG-CG 4.31Å; E42-R46 WeakPolarHBondContact O-CB 3.16Å; E42-R46 VanDerWaalsContact O-CG 3.26Å; E42-R46 WeakPolarHBondContact O-CG 3.05Å; E42-R46 PolarHBondContact O-N 2.92Å; E42-R46 IonicContact OE1-CZ 3.17Å; E42-R46 IonicContact OE1-NE 3.12Å; E42-R46 PolarHBondContact OE1-NE 3.22Å; E42-R46 VanDerWaalsContact OE1-NE 3.12Å; E42-R46 IonicContact OE1-NH2 2.65Å; E42-R46 PolarHBondContact OE1-NH2 3.46Å
43V80.3Confident71.8Confident90 Ų9095.4 Ų95.455%0.54551%0.513SS..Hα-helixtrans-66.1-37.6171.6173.60000110I39 A47I39-V43 HydrophobicContact CG2-CG2 4.12Å; I39-V43 VanDerWaalsContact O-CB 3.31Å; I39-V43 WeakPolarHBondContact O-CB 3.25Å; I39-V43 WeakPolarHBondContact O-CG2 3.38Å; I39-V43 PolarHBondContact O-N 2.68Å; V43-A47 WeakPolarHBondContact O-CA 3.49Å; V43-A47 WeakPolarHBondContact O-CB 3.05Å; V43-A47 PolarHBondContact O-N 3.4Å
44S72.6Confident71.7Confident63 Ų6390.6 Ų90.644%0.44150%0.498SS..Hα-helixtrans-66.5-37.5174.6-178.40000112.6L40 S41 E42L40-S44 WeakPolarHBondContact O-CB 3.45Å; L40-S44 PolarHBondContact O-N 3.32Å; S41-S44 PolarHBondContact O-N 3.27Å; E42-S44 VanDerWaalsContact C-N 3.32Å
45T70.5Confident71.7Confident87 Ų8787.5 Ų87.553%0.53448%0.476SS..Hα-helixtrans-79-39.5177.748.90000112.5S41 E42 R48S41-T45 WeakPolarHBondContact O-CB 3.29Å; S41-T45 VanDerWaalsContact O-CG2 3.27Å; S41-T45 WeakPolarHBondContact O-CG2 3.42Å; S41-T45 PolarHBondContact O-N 2.94Å; S41-T45 PolarHBondContact O-OG1 2.91Å; E42-T45 VanDerWaalsContact CA-OG1 3.29Å; E42-T45 WeakPolarHBondContact CA-OG1 3.42Å; E42-T45 PolarHBondContact O-N 3.4Å; E42-T45 PolarHBondContact O-OG1 2.85Å; T45-R48 WeakPolarHBondContact O-CB 3.27Å; T45-R48 PolarHBondContact O-N 3.13Å
46R62.3Low71.9Confident163 Ų16383.3 Ų83.362%0.61545%0.454SS*.Hα-helixtrans-70-30.1172.6-69.8-179.5-176.6-157.23.6112.4E42 R48 S49E42-R46 HydrophobicContact CG-CG 4.31Å; E42-R46 WeakPolarHBondContact O-CB 3.16Å; E42-R46 VanDerWaalsContact O-CG 3.26Å; E42-R46 WeakPolarHBondContact O-CG 3.05Å; E42-R46 PolarHBondContact O-N 2.92Å; E42-R46 IonicContact OE1-CZ 3.17Å; E42-R46 IonicContact OE1-NE 3.12Å; E42-R46 PolarHBondContact OE1-NE 3.22Å; E42-R46 VanDerWaalsContact OE1-NE 3.12Å; E42-R46 IonicContact OE1-NH2 2.65Å; E42-R46 PolarHBondContact OE1-NH2 3.46Å; R46-R48 PolarHBondContact O-N 3.03Å; R46-S49 WeakPolarHBondContact O-CB 3.26Å; R46-S49 PolarHBondContact O-N 2.8Å; R46-S49 PolarHBondContact O-OG 3.23Å
47A57.1Low72.1Confident60 Ų6075.4 Ų75.450%0.49642%0.424SS..Hα-helixtrans-61.9-26.3171.800000112.3V43 S49V43-A47 WeakPolarHBondContact O-CA 3.49Å; V43-A47 WeakPolarHBondContact O-CB 3.05Å; V43-A47 PolarHBondContact O-N 3.4Å; A47-S49 VanDerWaalsContact C-N 3.29Å
48R53.6Low72.3Confident199 Ų19972 Ų7275%0.75140%0.401SS*.THydrogen-bonded Turntrans-77.9-8.8173.4-62.3178.8-167.2-160.71.4113.9T45 R46T45-R48 WeakPolarHBondContact O-CB 3.27Å; T45-R48 PolarHBondContact O-N 3.13Å; R46-R48 PolarHBondContact O-N 3.03Å
49S52.6Low72.6Confident82 Ų8269.1 Ų69.157%0.57338%0.38SS*.THydrogen-bonded Turntrans-80.3-8.2174.4820000112.8R46 A47R46-S49 WeakPolarHBondContact O-CB 3.26Å; R46-S49 PolarHBondContact O-N 2.8Å; R46-S49 PolarHBondContact O-OG 3.23Å; A47-S49 VanDerWaalsContact C-N 3.29Å
50K56Low72.7Confident142 Ų14266.1 Ų66.162%0.61737%0.365SS*.SBendtrans-72.8134.8164-68.5-172.6175.3-173.90108.1
51L61.6Low72.7Confident27 Ų2760.5 Ų60.514%0.14134%0.335CS..  trans-38.6142173.9-67.6165.6000111.2S53 D95 D100 T102 Y292L51-S53 PolarHBondContact O-N 2.87Å; L51-D95 HydrophobicContact CD1-CB 3.72Å; L51-D95 WeakPolarHBondContact CD1-OD2 3.5Å; L51-D100 HydrophobicContact CD1-CB 3.79Å; L51-T102 HydrophobicContact CB-CG2 3.27Å; L51-T102 HydrophobicContact CD1-CG2 3.49Å; L51-T102 VanDerWaalsContact CD1-CG2 3.49Å; L51-T102 HydrophobicContact CG-CG2 4.03Å; L51-Y292 HydrophobicContact CB-CD1 4.28Å; L51-Y292 HydrophobicContact CB-CE1 4.18Å; L51-Y292 HydrophobicContact CD2-CD1 4.27Å
52P62.1Low72.7Confident59 Ų5959.2 Ų59.238%0.38332%0.323SS..  trans-49106.2-172.816-30.1000111.6K55 Y292P52-K55 WeakPolarHBondContact O-CE 3.36Å; P52-Y292 HydrophobicContact CG-CD1 4.32Å
53S59.8Low72.5Confident99 Ų9959.3 Ų59.369%0.69233%0.326SS*.  trans-89.1120.4176.463.40000108.4L51L51-S53 PolarHBondContact O-N 2.87Å
54G68.7Low72.3Confident29 Ų2957 Ų5730%0.29932%0.32SS..  trans142.5-0.9-176.700000115.8N56 E130G54-N56 PolarHBondContact O-N 3.46Å; G54-N56 PolarHBondContact O-OD1 2.87Å; G54-E130 WeakPolarHBondContact CA-OE2 3.28Å
55K81.4Confident72.5Confident3 Ų354 Ų541%0.01330%0.299CS..  trans-69.8134.4-174.3-47.8-160.4-169.8170.20112.3P52 C104 N105 E130 T291 Y292P52-K55 WeakPolarHBondContact O-CE 3.36Å; K55-C104 PolarHBondContact O-SG 2.63Å; K55-N105 PolarHBondContact O-N 2.83Å; K55-E130 WeakPolarHBondContact CA-O 3.48Å; K55-E130 HydrophobicContact CB-CB 4.49Å; K55-E130 HydrophobicContact CG-CB 4.23Å; K55-E130 PolarHBondContact N-OE2 3.03Å; K55-T291 HydrophobicContact CD-CG2 4.16Å; K55-T291 PolarHBondContact NZ-O 3.47Å; K55-Y292 HydrophobicContact CD-CE1 4.28Å; K55-Y292 HydrophobicContact CD-CE2 4.15Å; K55-Y292 VanDerWaalsContact CE-CE1 3.48Å; K55-Y292 VanDerWaalsContact NZ-CA 3.33Å
56N87Confident72.8Confident16 Ų1650.8 Ų50.89%0.08628%0.283CS..EExtended strand (participates in β ladder)trans-119.9124.6-177.6-64.8-33.2000109.3G54 N105 S127 E130 T131 L132G54-N56 PolarHBondContact O-N 3.46Å; G54-N56 PolarHBondContact O-OD1 2.87Å; N56-N105 CarbonylContact C-O 3.53Å; N56-N105 VanDerWaalsContact CA-O 3.31Å; N56-N105 WeakPolarHBondContact CA-O 3.37Å; N56-N105 WeakPolarHBondContact OD1-CB 3.24Å; N56-N105 PolarHBondContact OD1-ND2 2.7Å; N56-S127 WeakPolarHBondContact ND2-CB 3.48Å; N56-E130 PolarHBondContact N-O 3.24Å; N56-E130 VanDerWaalsContact N-O 3.08Å; N56-T131 HydrophobicContact CB-CG2 3.92Å; N56-T131 CarbonylContact O-C 3.57Å; N56-T131 WeakPolarHBondContact O-CA 3.39Å; N56-L132 PolarHBondContact O-N 2.91Å
57I88.3Confident73.7Confident3 Ų343.4 Ų43.42%0.01526%0.256CS..EExtended strand (participates in β ladder)trans-102.4125.8171.8-63.4168000107.5V59 L91 C104 N105 V106 W107 L132 I134 I287I57-V59 HydrophobicContact CG2-CG2 3.84Å; I57-L91 HydrophobicContact CD1-CD1 4.32Å; I57-C104 WeakPolarHBondContact CD1-SG 3.48Å; I57-C104 VanDerWaalsContact CG1-SG 3.52Å; I57-N105 PolarHBondContact N-O 3.13Å; I57-V106 HydrophobicContact CB-CG1 4.34Å; I57-V106 HydrophobicContact CB-CG2 4.17Å; I57-V106 HydrophobicContact CD1-CG2 4.19Å; I57-V106 HydrophobicContact CG2-CG1 4.33Å; I57-V106 CarbonylContact O-C 3.6Å; I57-V106 WeakPolarHBondContact O-CA 3.24Å; I57-W107 PolarHBondContact O-N 3.25Å; I57-L132 CarbonylContact C-O 3.54Å; I57-L132 VanDerWaalsContact CA-O 3.31Å; I57-L132 WeakPolarHBondContact CA-O 3.44Å; I57-L132 HydrophobicContact CG1-CB 4.42Å; I57-I134 HydrophobicContact CG2-CD1 3.49Å; I57-I134 VanDerWaalsContact CG2-CD1 3.49Å; I57-I134 HydrophobicContact CG2-CG1 3.83Å; I57-I287 HydrophobicContact CD1-CD1 4.47Å; I57-I287 HydrophobicContact CD1-CG2 3.68Å
58L88.3Confident74.9Confident4 Ų441.7 Ų41.72%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-102.7113.1173.5-55.6179.1000108.3F60 W107 A122 V123 L132 V133 I134L58-F60 HydrophobicContact CB-CE2 4.09Å; L58-F60 HydrophobicContact CB-CZ 4.46Å; L58-W107 HydrophobicContact CD2-CB 3.81Å; L58-W107 HydrophobicContact CD2-CG 4.15Å; L58-A122 HydrophobicContact CD2-CB 3.77Å; L58-V123 HydrophobicContact CD1-CG2 3.35Å; L58-V123 HydrophobicContact CD2-CG2 4.08Å; L58-V123 HydrophobicContact CG-CG2 4.29Å; L58-L132 PolarHBondContact N-O 3.21Å; L58-V133 HydrophobicContact CB-CG2 4.32Å; L58-V133 HydrophobicContact CD1-CG2 4.19Å; L58-V133 CarbonylContact O-C 3.51Å; L58-V133 WeakPolarHBondContact O-CA 3.43Å; L58-I134 PolarHBondContact O-N 2.78Å
59V89.2Confident76.2Confident1 Ų135.2 Ų35.21%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-102.1109.3178.2-172.80000108.1I57 K67 M71 V106 W107 I108 L109 I134 V136I57-V59 HydrophobicContact CG2-CG2 3.84Å; V59-K67 HydrophobicContact CG1-CB 4.42Å; V59-M71 HydrophobicContact CG1-CE 4.18Å; V59-M71 HydrophobicContact CG2-CE 3.73Å; V59-M71 HydrophobicContact CG2-SD 4.18Å; V59-V106 HydrophobicContact CG2-CG1 3.62Å; V59-W107 PolarHBondContact N-O 3.39Å; V59-I108 HydrophobicContact CB-CG1 4.28Å; V59-I108 HydrophobicContact CB-CG2 4.49Å; V59-I108 WeakPolarHBondContact O-CA 3.42Å; V59-L109 PolarHBondContact O-N 3.48Å; V59-I134 WeakPolarHBondContact CA-O 3.31Å; V59-I134 HydrophobicContact CG2-CB 4.37Å; V59-I134 HydrophobicContact CG2-CD1 4.44Å; V59-V136 HydrophobicContact CG1-CG2 3.51Å
60F88.1Confident77.5Confident2 Ų231.4 Ų31.41%0.00920%0.195CC..EExtended strand (participates in β ladder)trans-96140.3169.8-61.6-75.8000109.3L58 L109 L119 V133 I134 F135 V136 W152 L156L58-F60 HydrophobicContact CB-CE2 4.09Å; L58-F60 HydrophobicContact CB-CZ 4.46Å; F60-L109 HydrophobicContact CD1-CB 3.92Å; F60-L109 HydrophobicContact CD1-CD2 3.79Å; F60-L109 HydrophobicContact CE1-CB 4.24Å; F60-L109 HydrophobicContact CE1-CD2 3.61Å; F60-L119 HydrophobicContact CE1-CD1 4.12Å; F60-L119 HydrophobicContact CE1-CD2 3.81Å; F60-L119 HydrophobicContact CZ-CD1 4.34Å; F60-L119 HydrophobicContact CZ-CD2 3.93Å; F60-V133 HydrophobicContact CD2-CG1 3.65Å; F60-V133 HydrophobicContact CE2-CG1 3.66Å; F60-V133 HydrophobicContact CE2-CG2 4.49Å; F60-I134 PolarHBondContact N-O 3.23Å; F60-F135 HydrophobicContact CB-CD1 3.98Å; F60-F135 HydrophobicContact CB-CE1 4.4Å; F60-F135 AromaticContact CD2-CD1 3.76Å; F60-F135 HydrophobicContact CD2-CD1 3.76Å; F60-F135 AromaticContact CD2-CE1 3.53Å; F60-F135 HydrophobicContact CD2-CE1 3.53Å; F60-F135 HydrophobicContact CE2-CE1 4.16Å; F60-F135 HydrophobicContact CG-CD1 4.27Å; F60-F135 HydrophobicContact CG-CE1 4.25Å; F60-V136 WeakPolarHBondContact O-CB 2.94Å; F60-V136 PolarHBondContact O-N 2.7Å; F60-W152 HydrophobicContact CB-CB 4.39Å; F60-W152 HydrophobicContact CB-CD2 3.72Å; F60-W152 HydrophobicContact CB-CE3 3.81Å; F60-W152 HydrophobicContact CB-CG 3.98Å; F60-W152 HydrophobicContact CB-CZ3 4.36Å; F60-W152 HydrophobicContact CD1-CD2 4.25Å; F60-W152 AromaticContact CD1-CE3 3.44Å; F60-W152 HydrophobicContact CD1-CE3 3.44Å; F60-W152 VanDerWaalsContact CD1-CE3 3.44Å; F60-W152 HydrophobicContact CD1-CH2 4.48Å; F60-W152 AromaticContact CD1-CZ3 3.61Å; F60-W152 HydrophobicContact CD1-CZ3 3.61Å; F60-W152 HydrophobicContact CE1-CE3 4.26Å; F60-W152 HydrophobicContact CE1-CZ3 4.37Å; F60-W152 HydrophobicContact CG-CD2 4.28Å; F60-W152 AromaticContact CG-CE3 3.89Å; F60-W152 HydrophobicContact CG-CE3 3.89Å; F60-W152 HydrophobicContact CG-CZ3 4.4Å; F60-L156 HydrophobicContact CE2-CD1 4.19Å; F60-L156 HydrophobicContact CZ-CD1 4.3Å
61G82.2Confident78.6Confident0 Ų024.8 Ų24.80%017%0.166CC..EExtended strand (participates in β ladder)trans-165.1156.4171.600000112.8K67 V136 W152G61-K67 PolarHBondContact O-NZ 3.07Å; G61-V136 WeakPolarHBondContact CA-O 3.3Å; G61-W152 VanDerWaalsContact O-CZ2 3.22Å; G61-W152 WeakPolarHBondContact O-CZ2 3.45Å
62E81.9Confident79.5Confident35 Ų3524.9 Ų24.916%0.16417%0.168CC..  trans-67.7154.8177.1-159.161.6-148.100111.8G64 S65 K67 T144 S148E62-G64 PolarHBondContact O-N 3.2Å; E62-S65 VanDerWaalsContact O-CB 3.29Å; E62-S65 WeakPolarHBondContact O-CB 3.23Å; E62-S65 PolarHBondContact O-N 3.21Å; E62-S65 PolarHBondContact O-OG 2.86Å; E62-K67 PolarHBondContact O-NZ 3.49Å; E62-T144 HydrophobicContact CG-CG2 4.42Å; E62-S148 WeakPolarHBondContact OE2-CB 3.44Å; E62-S148 PolarHBondContact OE2-OG 2.78Å
63D78.9Confident80.4Confident82 Ų8226.2 Ų26.244%0.43917%0.168SC..THydrogen-bonded Turntrans-57.6124177.7-62.4-7.6000110S65 G111 R141D63-S65 PolarHBondContact O-N 2.98Å; D63-G111 WeakPolarHBondContact OD1-CA 3.33Å; D63-G111 PolarHBondContact OD1-N 3.35Å; D63-R141 PolarHBondContact O-NH2 2.95Å
64G76.2Confident81.2Confident42 Ų4223 Ų2343%0.43314%0.142SC..THydrogen-bonded Turntrans78.68.2-178.900000116E62 G66 K233E62-G64 PolarHBondContact O-N 3.2Å; G64-G66 PolarHBondContact O-N 2.86Å; G64-K233 PolarHBondContact O-NZ 3.18Å
65S77Confident81.5Confident0 Ų024.1 Ų24.10%014%0.14CC..SBendtrans-67.5-2.3176.768.50000114.7E62 D63 T232E62-S65 VanDerWaalsContact O-CB 3.29Å; E62-S65 WeakPolarHBondContact O-CB 3.23Å; E62-S65 PolarHBondContact O-N 3.21Å; E62-S65 PolarHBondContact O-OG 2.86Å; D63-S65 PolarHBondContact O-N 2.98Å; S65-T232 WeakPolarHBondContact O-CB 3.24Å; S65-T232 PolarHBondContact O-OG1 3.38Å
66G76.9Confident80.8Confident19 Ų1927.5 Ų27.520%0.19618%0.175CC..SBendtrans81.314.7-178.300000114G64 T68 T69 L70G64-G66 PolarHBondContact O-N 2.86Å; G66-T68 PolarHBondContact O-N 3.2Å; G66-T69 CarbonylContact O-C 3.52Å; G66-T69 WeakPolarHBondContact O-CA 3.42Å; G66-T69 VanDerWaalsContact O-CB 3.32Å; G66-T69 WeakPolarHBondContact O-CB 3.14Å; G66-T69 PolarHBondContact O-N 2.77Å; G66-L70 PolarHBondContact O-N 3.09Å
67K81.5Confident79.8Confident8 Ų828.2 Ų28.24%0.03518%0.184CC..Hα-helixtrans-50.8-49.8173.846178.5-177.2-103.40114.1V59 G61 E62 T69 L70 M71 I108 D110 V136V59-K67 HydrophobicContact CG1-CB 4.42Å; G61-K67 PolarHBondContact O-NZ 3.07Å; E62-K67 PolarHBondContact O-NZ 3.49Å; K67-T69 VanDerWaalsContact C-N 3.28Å; K67-T69 PolarHBondContact O-N 3.18Å; K67-L70 WeakPolarHBondContact O-CB 3.42Å; K67-L70 PolarHBondContact O-N 3.35Å; K67-M71 WeakPolarHBondContact O-CG 3.45Å; K67-M71 PolarHBondContact O-N 2.86Å; K67-M71 VanDerWaalsContact O-N 3.11Å; K67-I108 HydrophobicContact CB-CG2 4.22Å; K67-I108 HydrophobicContact CD-CG2 3.73Å; K67-I108 HydrophobicContact CG-CG2 4.2Å; K67-D110 WeakPolarHBondContact CE-OD1 3.42Å; K67-D110 IonicContact NZ-OD1 2.7Å; K67-D110 PolarHBondContact NZ-OD1 3.06Å; K67-V136 HydrophobicContact CB-CG1 4.4Å
68T80.8Confident77.8Confident24 Ų2437.4 Ų37.415%0.14723%0.227CC..Hα-helixtrans-61.6-38.8175.2-46.30000111.1G66 M71 T72 E87G66-T68 PolarHBondContact O-N 3.2Å; T68-M71 PolarHBondContact O-N 3.47Å; T68-T72 VanDerWaalsContact O-CB 3.28Å; T68-T72 WeakPolarHBondContact O-CB 3.22Å; T68-T72 PolarHBondContact O-N 2.7Å; T68-T72 PolarHBondContact O-OG1 3.04Å; T68-E87 PolarHBondContact OG1-OE2 2.78Å
69T81.8Confident76.1Confident62 Ų6242.5 Ų42.538%0.3825%0.25SS..Hα-helixtrans-66-41.3177.2-52.70000112.1G66 K67 M71 T72 K73 V274G66-T69 CarbonylContact O-C 3.52Å; G66-T69 WeakPolarHBondContact O-CA 3.42Å; G66-T69 VanDerWaalsContact O-CB 3.32Å; G66-T69 WeakPolarHBondContact O-CB 3.14Å; G66-T69 PolarHBondContact O-N 2.77Å; K67-T69 VanDerWaalsContact C-N 3.28Å; K67-T69 PolarHBondContact O-N 3.18Å; T69-M71 VanDerWaalsContact C-N 3.3Å; T69-M71 PolarHBondContact O-N 3.07Å; T69-T72 WeakPolarHBondContact O-CB 3.21Å; T69-T72 PolarHBondContact O-N 2.94Å; T69-K73 WeakPolarHBondContact O-CB 3.05Å; T69-K73 WeakPolarHBondContact O-CG 3.48Å; T69-K73 PolarHBondContact O-N 3.39Å; T69-V274 HydrophobicContact CG2-CG1 4.07Å; T69-V274 HydrophobicContact CG2-CG2 4.05Å
70L80.7Confident74.3Confident3 Ų346.4 Ų46.42%0.01629%0.29CS..Hα-helixtrans-59-45.5175.9-176.266.7000110.5G66 K67 K73 L74 V136 V230 T232 T272 L280G66-L70 PolarHBondContact O-N 3.09Å; K67-L70 WeakPolarHBondContact O-CB 3.42Å; K67-L70 PolarHBondContact O-N 3.35Å; L70-K73 PolarHBondContact O-N 2.79Å; L70-L74 WeakPolarHBondContact O-CB 3.28Å; L70-L74 PolarHBondContact O-N 3.08Å; L70-V136 HydrophobicContact CD2-CG2 4.18Å; L70-V230 HydrophobicContact CD2-CG1 4.09Å; L70-T232 HydrophobicContact CD2-CG2 4.35Å; L70-T272 HydrophobicContact CD1-CG2 3.85Å; L70-L280 HydrophobicContact CD1-CD2 3.42Å; L70-L280 VanDerWaalsContact CD1-CD2 3.42Å
71M79.3Confident73Confident3 Ų355 Ų552%0.01533%0.327CS..Hα-helixtrans-73.3-36.5-179.2-62.9-61.7134.100113V59 K67 T68 T69 K73 L74 Q75 L89 V106 I108V59-M71 HydrophobicContact CG1-CE 4.18Å; V59-M71 HydrophobicContact CG2-CE 3.73Å; V59-M71 HydrophobicContact CG2-SD 4.18Å; K67-M71 WeakPolarHBondContact O-CG 3.45Å; K67-M71 PolarHBondContact O-N 2.86Å; K67-M71 VanDerWaalsContact O-N 3.11Å; T68-M71 PolarHBondContact O-N 3.47Å; T69-M71 VanDerWaalsContact C-N 3.3Å; T69-M71 PolarHBondContact O-N 3.07Å; M71-K73 VanDerWaalsContact C-N 3.3Å; M71-K73 PolarHBondContact O-N 2.96Å; M71-L74 PolarHBondContact O-N 3.26Å; M71-L74 HydrophobicContact SD-CD2 4.31Å; M71-Q75 PolarHBondContact O-N 3.18Å; M71-L89 HydrophobicContact CB-CD2 3.51Å; M71-L89 HydrophobicContact CG-CD2 4.3Å; M71-V106 HydrophobicContact SD-CG1 3.83Å; M71-I108 HydrophobicContact CB-CD1 4.01Å; M71-I108 HydrophobicContact CG-CD1 3.64Å; M71-I108 HydrophobicContact CG-CG1 4.22Å
72T78.7Confident72Confident28 Ų2863.3 Ų63.317%0.17236%0.364CS..Hα-helixtrans-57.5-45.8171.5-62.50000110.4T68 T69 Q75 G76 A77T68-T72 VanDerWaalsContact O-CB 3.28Å; T68-T72 WeakPolarHBondContact O-CB 3.22Å; T68-T72 PolarHBondContact O-N 2.7Å; T68-T72 PolarHBondContact O-OG1 3.04Å; T69-T72 WeakPolarHBondContact O-CB 3.21Å; T69-T72 PolarHBondContact O-N 2.94Å; T72-Q75 PolarHBondContact O-N 2.77Å; T72-G76 PolarHBondContact O-N 2.95Å; T72-G76 VanDerWaalsContact O-N 3.08Å; T72-A77 WeakPolarHBondContact CG2-O 3.49Å; T72-A77 PolarHBondContact O-N 2.61Å
73K81.1Confident70.7Confident88 Ų8863.2 Ų63.238%0.38337%0.373SS..Hα-helixtrans-67.2-38.8178-74.7-71.6-175.2172.40112.1T69 L70 M71 Q75 G76 V274 E277 L280T69-K73 WeakPolarHBondContact O-CB 3.05Å; T69-K73 WeakPolarHBondContact O-CG 3.48Å; T69-K73 PolarHBondContact O-N 3.39Å; L70-K73 PolarHBondContact O-N 2.79Å; M71-K73 VanDerWaalsContact C-N 3.3Å; M71-K73 PolarHBondContact O-N 2.96Å; K73-Q75 VanDerWaalsContact C-N 3.27Å; K73-Q75 PolarHBondContact O-N 3.25Å; K73-G76 PolarHBondContact O-N 3.41Å; K73-V274 HydrophobicContact CG-CG1 4.29Å; K73-E277 IonicContact NZ-OE1 2.68Å; K73-E277 PolarHBondContact NZ-OE1 3.24Å; K73-L280 HydrophobicContact CB-CD1 4.2Å
74L76.6Confident69.9Low31 Ų3171 Ų7116%0.16240%0.396CS..Hα-helixtrans-65.4-30.6176.8-163.160.3000113.1L70 M71 L91 Y284L70-L74 WeakPolarHBondContact O-CB 3.28Å; L70-L74 PolarHBondContact O-N 3.08Å; M71-L74 PolarHBondContact O-N 3.26Å; M71-L74 HydrophobicContact SD-CD2 4.31Å; L74-L91 HydrophobicContact CB-CD2 4.24Å; L74-L91 HydrophobicContact CD2-CD1 3.43Å; L74-L91 VanDerWaalsContact CD2-CD1 3.43Å; L74-L91 HydrophobicContact CD2-CD2 4Å; L74-L91 HydrophobicContact CD2-CG 4.38Å; L74-L91 HydrophobicContact CG-CD1 4.17Å; L74-L91 HydrophobicContact CG-CD2 3.91Å; L74-Y284 HydrophobicContact CD1-CD2 3.57Å; L74-Y284 HydrophobicContact CD1-CG 4.02Å; L74-Y284 HydrophobicContact CD2-CD2 4.43Å; L74-Y284 HydrophobicContact CG-CD2 4.08Å
75Q75Confident69.6Low52 Ų5269.2 Ų69.224%0.24338%0.377CS..Hα-helixtrans-86.5-15.7175.9-76.6-173-27.500114.7M71 T72 K73 A77 L89 Y90 L91M71-Q75 PolarHBondContact O-N 3.18Å; T72-Q75 PolarHBondContact O-N 2.77Å; K73-Q75 VanDerWaalsContact C-N 3.27Å; K73-Q75 PolarHBondContact O-N 3.25Å; Q75-A77 HydrophobicContact CB-CB 4.2Å; Q75-A77 PolarHBondContact O-N 3.19Å; Q75-L89 HydrophobicContact CG-CD2 4.28Å; Q75-L89 VanDerWaalsContact OE1-CD1 3.32Å; Q75-Y90 PolarHBondContact NE2-O 2.91Å; Q75-L91 HydrophobicContact CG-CD2 3.46Å; Q75-L91 VanDerWaalsContact CG-CD2 3.46Å
76G67.7Low69.5Low74 Ų7471.3 Ų71.376%0.76339%0.388SS*.THydrogen-bonded Turntrans64.915.2-168.600000114.4T72 K73T72-G76 PolarHBondContact O-N 2.95Å; T72-G76 VanDerWaalsContact O-N 3.08Å; K73-G76 PolarHBondContact O-N 3.41Å
77A64.8Low69.8Low32 Ų3271.9 Ų71.926%0.26439%0.386SS..  trans-118.9125.9-174.500000111.5T72 Q75 H79T72-A77 WeakPolarHBondContact CG2-O 3.49Å; T72-A77 PolarHBondContact O-N 2.61Å; Q75-A77 HydrophobicContact CB-CB 4.2Å; Q75-A77 PolarHBondContact O-N 3.19Å; A77-H79 PolarHBondContact O-N 2.84Å
78E47.6Very low69.9Low195 Ų19577.1 Ų77.191%0.91141%0.406SS*.  trans-73.378.6179.1-67.1-158.2155.500113G80E78-G80 PolarHBondContact O-N 3.45Å
79H52Low70Confident112 Ų11277.3 Ų77.352%0.51941%0.406SS..  trans-88.683.6170.6-67.595000111.1A77 K81A77-H79 PolarHBondContact O-N 2.84Å; H79-K81 PolarHBondContact O-N 2.8Å
80G52.3Low70.1Confident82 Ų8280.9 Ų80.985%0.84541%0.413SS*.  trans-7431.8-178.500000116.8E78E78-G80 PolarHBondContact O-N 3.45Å
81K60.3Low70.1Confident182 Ų18281 Ų8179%0.79141%0.414SS*.  trans-127.4108.7178.4-65.1-177-175.8177.10110.9H79 G83H79-K81 PolarHBondContact O-N 2.8Å; K81-G83 PolarHBondContact O-N 3.41Å; K81-G83 VanDerWaalsContact O-N 3.17Å
82K60Low70Confident175 Ų17584.4 Ų84.476%0.76144%0.438SS*.  trans-70.3101.2164.7-59.5177.8-177.1178.10107.8
83G56Low69.8Low34 Ų3483.3 Ų83.335%0.35143%0.432SS..  trans-71.7145.616600000110.6K81 E87K81-G83 PolarHBondContact O-N 3.41Å; K81-G83 VanDerWaalsContact O-N 3.17Å; G83-E87 WeakPolarHBondContact CA-OE1 3.2Å; G83-E87 PolarHBondContact N-OE1 3.22Å
84R60.9Low69.1Low246 Ų24683 Ų8393%0.92843%0.431SS*.SBendtrans-85.6126.2170.4-71.6-167.7-178.6-137.82.4109.3
85G70Confident68.7Low4 Ų482.3 Ų82.34%0.04143%0.428CS..SBendtrans109.5-102.8163.900000114.7D110 H115G85-D110 PolarHBondContact O-N 2.84Å; G85-H115 VanDerWaalsContact CA-CE1 3.49Å; G85-H115 WeakPolarHBondContact CA-CE1 3.33Å; G85-H115 WeakPolarHBondContact CA-NE2 3.34Å
86L76.1Confident68Low43 Ų4388.1 Ų88.123%0.22546%0.455CS..EExtended strand (participates in β ladder)trans-113.2101.7179-174.873000108.6W107 I108 L109 L118L86-W107 HydrophobicContact CD1-CB 4.12Å; L86-W107 HydrophobicContact CD1-CE3 3.98Å; L86-W107 HydrophobicContact CD2-CE3 3.51Å; L86-W107 HydrophobicContact CD2-CZ3 3.6Å; L86-W107 HydrophobicContact CG-CE3 3.7Å; L86-W107 HydrophobicContact CG-CZ3 4.16Å; L86-I108 WeakPolarHBondContact CA-O 3.46Å; L86-L109 HydrophobicContact CD1-CD1 3.82Å; L86-L118 HydrophobicContact CB-CB 4.22Å; L86-L118 HydrophobicContact CB-CD1 3.68Å; L86-L118 HydrophobicContact CD2-CB 4.08Å
87E82.6Confident67.7Low31 Ų3190.8 Ų90.815%0.14545%0.452CS..EExtended strand (participates in β ladder)trans-83127.5171-49.1-179142.100108.3T68 G83 I108T68-E87 PolarHBondContact OG1-OE2 2.78Å; G83-E87 WeakPolarHBondContact CA-OE1 3.2Å; G83-E87 PolarHBondContact N-OE1 3.22Å; E87-I108 HydrophobicContact CB-CB 4.1Å; E87-I108 HydrophobicContact CB-CD1 4.36Å; E87-I108 PolarHBondContact N-O 3.37Å; E87-I108 PolarHBondContact O-N 3.02Å
88Y84Confident67.5Low119 Ų11997.1 Ų97.147%0.46747%0.469SS..EExtended strand (participates in β ladder)trans-96.6129.2170.3178-101.8000109.1N105 W107Y88-N105 HydrophobicContact CE2-CB 3.86Å; Y88-N105 PolarHBondContact OH-OD1 2.99Å; Y88-W107 AromaticContact CD2-CD2 3.8Å; Y88-W107 HydrophobicContact CD2-CD2 3.8Å; Y88-W107 AromaticContact CD2-CE2 3.66Å; Y88-W107 AromaticContact CD2-CE3 3.65Å; Y88-W107 HydrophobicContact CD2-CE3 3.65Å; Y88-W107 AromaticContact CD2-CH2 3.36Å; Y88-W107 HydrophobicContact CD2-CH2 3.36Å; Y88-W107 AromaticContact CD2-CZ2 3.46Å; Y88-W107 HydrophobicContact CD2-CZ2 3.46Å; Y88-W107 VanDerWaalsContact CD2-CZ2 3.46Å; Y88-W107 AromaticContact CD2-CZ3 3.45Å; Y88-W107 HydrophobicContact CD2-CZ3 3.45Å; Y88-W107 VanDerWaalsContact CD2-CZ3 3.45Å; Y88-W107 HydrophobicContact CE2-CD2 4.42Å; Y88-W107 AromaticContact CE2-CE2 3.86Å; Y88-W107 AromaticContact CE2-CH2 3.86Å; Y88-W107 HydrophobicContact CE2-CH2 3.86Å; Y88-W107 AromaticContact CE2-CZ2 3.56Å; Y88-W107 HydrophobicContact CE2-CZ2 3.56Å; Y88-W107 HydrophobicContact CE2-CZ3 4.38Å; Y88-W107 HydrophobicContact CG-CE3 4.37Å; Y88-W107 HydrophobicContact CG-CH2 4.18Å; Y88-W107 HydrophobicContact CG-CZ3 4.03Å
89L83.4Confident68.2Low28 Ų2893.6 Ų93.615%0.14746%0.456CS..EExtended strand (participates in β ladder)trans-135.2159.8177.7-165.668.8000108.5M71 Q75 V106M71-L89 HydrophobicContact CB-CD2 3.51Å; M71-L89 HydrophobicContact CG-CD2 4.3Å; Q75-L89 HydrophobicContact CG-CD2 4.28Å; Q75-L89 VanDerWaalsContact OE1-CD1 3.32Å; L89-V106 HydrophobicContact CB-CB 4.12Å; L89-V106 PolarHBondContact N-O 3.27Å; L89-V106 PolarHBondContact O-N 3.43Å; L89-V106 VanDerWaalsContact O-O 3.07Å
90Y84.1Confident68.8Low136 Ų13690.6 Ų90.653%0.53344%0.444SS..EExtended strand (participates in β ladder)trans-133.6136.7172.766.5-86.6000109.5Q75 C104Q75-Y90 PolarHBondContact NE2-O 2.91Å; Y90-C104 CarbonylContact C-O 3.56Å; Y90-C104 WeakPolarHBondContact CA-O 3.47Å
91L80Confident69.6Low7 Ų793 Ų934%0.03743%0.433CS..EExtended strand (participates in β ladder)trans-102.4122.4171.6-66169000107.7I57 L74 Q75 V93 C104 V106I57-L91 HydrophobicContact CD1-CD1 4.32Å; L74-L91 HydrophobicContact CB-CD2 4.24Å; L74-L91 HydrophobicContact CD2-CD1 3.43Å; L74-L91 VanDerWaalsContact CD2-CD1 3.43Å; L74-L91 HydrophobicContact CD2-CD2 4Å; L74-L91 HydrophobicContact CD2-CG 4.38Å; L74-L91 HydrophobicContact CG-CD1 4.17Å; L74-L91 HydrophobicContact CG-CD2 3.91Å; Q75-L91 HydrophobicContact CG-CD2 3.46Å; Q75-L91 VanDerWaalsContact CG-CD2 3.46Å; L91-V93 PolarHBondContact O-N 2.8Å; L91-C104 HydrophobicContact CB-CB 4.41Å; L91-C104 PolarHBondContact N-O 3.46Å; L91-C104 PolarHBondContact O-N 3.29Å; L91-V106 HydrophobicContact CB-CG2 4.47Å; L91-V106 HydrophobicContact CD1-CG2 3.53Å; L91-V106 HydrophobicContact CG-CG2 3.68Å
92S77.7Confident70Confident73 Ų7384.6 Ų84.651%0.5140%0.397SS..EExtended strand (participates in β ladder)trans-79.6104164.150.30000107.5T102S92-T102 CarbonylContact C-O 3.53Å; S92-T102 WeakPolarHBondContact CA-O 3.25Å
93V73Confident70.8Confident6 Ų685 Ų854%0.03639%0.394CS..EExtended strand (participates in β ladder)trans-85.7115.8172.1177.50000108.6L91 T102 C104 Y284 V288 Y292L91-V93 PolarHBondContact O-N 2.8Å; V93-T102 WeakPolarHBondContact CB-OG1 3.48Å; V93-T102 PolarHBondContact N-O 3.31Å; V93-T102 PolarHBondContact O-N 2.86Å; V93-T102 PolarHBondContact O-OG1 3.43Å; V93-T102 VanDerWaalsContact O-OG1 3.09Å; V93-C104 HydrophobicContact CG2-CB 4.43Å; V93-Y284 VanDerWaalsContact CA-OH 3.23Å; V93-Y284 WeakPolarHBondContact CA-OH 3.23Å; V93-Y284 HydrophobicContact CG2-CE2 3.95Å; V93-V288 HydrophobicContact CG1-CB 4.49Å; V93-V288 HydrophobicContact CG1-CG1 4.13Å; V93-V288 HydrophobicContact CG1-CG2 3.5Å; V93-V288 HydrophobicContact CG2-CG2 4.19Å; V93-Y292 HydrophobicContact CB-CE2 4.48Å; V93-Y292 HydrophobicContact CG1-CE2 4.2Å
94H67.4Low72Confident81 Ų8183.5 Ų83.538%0.37538%0.378SS..EExtended strand (participates in β ladder)trans-89.1120.5174.7-173.171000108D99 H101H94-D99 IonicContact CE1-OD1 3.71Å; H94-D99 IonicContact NE2-OD1 3.76Å; H94-H101 AromaticContact CE1-CE1 3.92Å; H94-H101 AromaticContact ND1-CE1 3.46Å; H94-H101 PolarHBondContact ND1-CE1 3.28Å; H94-H101 AromaticContact ND1-ND1 3.95Å; H94-H101 AromaticContact ND1-NE2 3.57Å
95D67.4Low73.2Confident16 Ų1673.4 Ų73.49%0.08634%0.342CS..EExtended strand (participates in β ladder)trans-88.3111.7172.2-175.67.7000108.6L51 D97 R98 D99 D100 F294L51-D95 HydrophobicContact CD1-CB 3.72Å; L51-D95 WeakPolarHBondContact CD1-OD2 3.5Å; D95-D97 PolarHBondContact O-N 2.81Å; D95-D97 PolarHBondContact OD1-N 2.77Å; D95-R98 PolarHBondContact O-N 3.31Å; D95-D99 PolarHBondContact O-N 3.4Å; D95-D99 VanDerWaalsContact O-N 3.13Å; D95-D100 PolarHBondContact N-O 3.34Å; D95-F294 WeakPolarHBondContact OD1-CZ 3.35Å; D95-F294 WeakPolarHBondContact OD2-CZ 3.3Å
96E60.4Low74.1Confident175 Ų17573.2 Ų73.282%0.81834%0.34SS*.THydrogen-bonded Turntrans-61.5-23.9-177.6-66.1-168.1144.800112.5
97D61.7Low74.6Confident130 Ų13073.5 Ų73.570%0.69534%0.338SS*.THydrogen-bonded Turntrans-82.9-21.2-177.2-71.9-31.7000113.3D95D95-D97 PolarHBondContact O-N 2.81Å; D95-D97 PolarHBondContact OD1-N 2.77Å
98R61.3Low74.8Confident164 Ų16472.2 Ų72.262%0.61933%0.332SS*.THydrogen-bonded Turntrans-1311.5-169.3-69.5-163.2175.4-169.12115.6D95 D100D95-R98 PolarHBondContact O-N 3.31Å; R98-D100 HydrophobicContact CB-CB 4.2Å; R98-D100 PolarHBondContact O-N 2.86Å
99D62.1Low74.8Confident121 Ų12166.7 Ų66.765%0.64731%0.311SS*.THydrogen-bonded Turntrans50.718.9-171.7-75.3-38.2000113.2H94 D95 H101H94-D99 IonicContact CE1-OD1 3.71Å; H94-D99 IonicContact NE2-OD1 3.76Å; D95-D99 PolarHBondContact O-N 3.4Å; D95-D99 VanDerWaalsContact O-N 3.13Å; D99-H101 PolarHBondContact O-ND1 2.86Å
100D64.9Low74.6Confident49 Ų4967.3 Ų67.326%0.26231%0.314SS..EExtended strand (participates in β ladder)trans-88.9125.3-175.4-88.8-31.2000109.3L51 D95 R98L51-D100 HydrophobicContact CD1-CB 3.79Å; D95-D100 PolarHBondContact N-O 3.34Å; R98-D100 HydrophobicContact CB-CB 4.2Å; R98-D100 PolarHBondContact O-N 2.86Å
101H67.7Low73.5Confident132 Ų13261.1 Ų61.161%0.61129%0.292SS*.EExtended strand (participates in β ladder)trans-91112.3175.1-67.970.3000109.3H94 D99H94-H101 AromaticContact CE1-CE1 3.92Å; H94-H101 AromaticContact ND1-CE1 3.46Å; H94-H101 PolarHBondContact ND1-CE1 3.28Å; H94-H101 AromaticContact ND1-ND1 3.95Å; H94-H101 AromaticContact ND1-NE2 3.57Å; D99-H101 PolarHBondContact O-ND1 2.86Å
102T70.1Confident73Confident7 Ų764.6 Ų64.64%0.04331%0.311CS..EExtended strand (participates in β ladder)trans-100.2137.6173.955.30000110.5L51 S92 V93 Y292L51-T102 HydrophobicContact CB-CG2 3.27Å; L51-T102 HydrophobicContact CD1-CG2 3.49Å; L51-T102 VanDerWaalsContact CD1-CG2 3.49Å; L51-T102 HydrophobicContact CG-CG2 4.03Å; S92-T102 CarbonylContact C-O 3.53Å; S92-T102 WeakPolarHBondContact CA-O 3.25Å; V93-T102 WeakPolarHBondContact CB-OG1 3.48Å; V93-T102 PolarHBondContact N-O 3.31Å; V93-T102 PolarHBondContact O-N 2.86Å; V93-T102 PolarHBondContact O-OG1 3.43Å; V93-T102 VanDerWaalsContact O-OG1 3.09Å; T102-Y292 WeakPolarHBondContact CB-OH 3.38Å; T102-Y292 HydrophobicContact CG2-CE1 3.73Å; T102-Y292 PolarHBondContact OG1-OH 2.94Å
103R76.6Confident72.3Confident183 Ų18366 Ų6669%0.69131%0.312SS*.EExtended strand (participates in β ladder)trans-95.5117176.1-64.5-175.9-64178.61.1108.3
104C80Confident71.7Confident2 Ų275.1 Ų75.11%0.01435%0.347CS..EExtended strand (participates in β ladder)trans-104120.2169-172.80000108.5K55 I57 Y90 L91 V93K55-C104 PolarHBondContact O-SG 2.63Å; I57-C104 WeakPolarHBondContact CD1-SG 3.48Å; I57-C104 VanDerWaalsContact CG1-SG 3.52Å; Y90-C104 CarbonylContact C-O 3.56Å; Y90-C104 WeakPolarHBondContact CA-O 3.47Å; L91-C104 HydrophobicContact CB-CB 4.41Å; L91-C104 PolarHBondContact N-O 3.46Å; L91-C104 PolarHBondContact O-N 3.29Å; V93-C104 HydrophobicContact CG2-CB 4.43Å
105N87.6Confident71.6Confident35 Ų3572.6 Ų72.619%0.18734%0.336CS..EExtended strand (participates in β ladder)trans-80.6133178.8-53.2-38.8000108.4K55 N56 I57 Y88K55-N105 PolarHBondContact O-N 2.83Å; N56-N105 CarbonylContact C-O 3.53Å; N56-N105 VanDerWaalsContact CA-O 3.31Å; N56-N105 WeakPolarHBondContact CA-O 3.37Å; N56-N105 WeakPolarHBondContact OD1-CB 3.24Å; N56-N105 PolarHBondContact OD1-ND2 2.7Å; I57-N105 PolarHBondContact N-O 3.13Å; Y88-N105 HydrophobicContact CE2-CB 3.86Å; Y88-N105 PolarHBondContact OH-OD1 2.99Å
106V87.2Confident71.6Confident0 Ų073.9 Ų73.90%034%0.34CS..EExtended strand (participates in β ladder)trans-117.9124.7178.4-175.20000108.4I57 V59 M71 L89 L91 I108I57-V106 HydrophobicContact CB-CG1 4.34Å; I57-V106 HydrophobicContact CB-CG2 4.17Å; I57-V106 HydrophobicContact CD1-CG2 4.19Å; I57-V106 HydrophobicContact CG2-CG1 4.33Å; I57-V106 CarbonylContact O-C 3.6Å; I57-V106 WeakPolarHBondContact O-CA 3.24Å; V59-V106 HydrophobicContact CG2-CG1 3.62Å; M71-V106 HydrophobicContact SD-CG1 3.83Å; L89-V106 HydrophobicContact CB-CB 4.12Å; L89-V106 PolarHBondContact N-O 3.27Å; L89-V106 PolarHBondContact O-N 3.43Å; L89-V106 VanDerWaalsContact O-O 3.07Å; L91-V106 HydrophobicContact CB-CG2 4.47Å; L91-V106 HydrophobicContact CD1-CG2 3.53Å; L91-V106 HydrophobicContact CG-CG2 3.68Å; V106-I108 HydrophobicContact CG1-CG1 4.2Å
107W87.6Confident72.1Confident49 Ų4967.7 Ų67.719%0.18632%0.324CS..EExtended strand (participates in β ladder)trans-111.8114.3178.5-62.798.3000108.2I57 L58 V59 L86 Y88 A122I57-W107 PolarHBondContact O-N 3.25Å; L58-W107 HydrophobicContact CD2-CB 3.81Å; L58-W107 HydrophobicContact CD2-CG 4.15Å; V59-W107 PolarHBondContact N-O 3.39Å; L86-W107 HydrophobicContact CD1-CB 4.12Å; L86-W107 HydrophobicContact CD1-CE3 3.98Å; L86-W107 HydrophobicContact CD2-CE3 3.51Å; L86-W107 HydrophobicContact CD2-CZ3 3.6Å; L86-W107 HydrophobicContact CG-CE3 3.7Å; L86-W107 HydrophobicContact CG-CZ3 4.16Å; Y88-W107 AromaticContact CD2-CD2 3.8Å; Y88-W107 HydrophobicContact CD2-CD2 3.8Å; Y88-W107 AromaticContact CD2-CE2 3.66Å; Y88-W107 AromaticContact CD2-CE3 3.65Å; Y88-W107 HydrophobicContact CD2-CE3 3.65Å; Y88-W107 AromaticContact CD2-CH2 3.36Å; Y88-W107 HydrophobicContact CD2-CH2 3.36Å; Y88-W107 AromaticContact CD2-CZ2 3.46Å; Y88-W107 HydrophobicContact CD2-CZ2 3.46Å; Y88-W107 VanDerWaalsContact CD2-CZ2 3.46Å; Y88-W107 AromaticContact CD2-CZ3 3.45Å; Y88-W107 HydrophobicContact CD2-CZ3 3.45Å; Y88-W107 VanDerWaalsContact CD2-CZ3 3.45Å; Y88-W107 HydrophobicContact CE2-CD2 4.42Å; Y88-W107 AromaticContact CE2-CE2 3.86Å; Y88-W107 AromaticContact CE2-CH2 3.86Å; Y88-W107 HydrophobicContact CE2-CH2 3.86Å; Y88-W107 AromaticContact CE2-CZ2 3.56Å; Y88-W107 HydrophobicContact CE2-CZ2 3.56Å; Y88-W107 HydrophobicContact CE2-CZ3 4.38Å; Y88-W107 HydrophobicContact CG-CE3 4.37Å; Y88-W107 HydrophobicContact CG-CH2 4.18Å; Y88-W107 HydrophobicContact CG-CZ3 4.03Å; W107-A122 HydrophobicContact CB-CB 4.1Å; W107-A122 HydrophobicContact CD2-CB 3.78Å; W107-A122 HydrophobicContact CE3-CB 4.37Å; W107-A122 HydrophobicContact CG-CB 3.65Å
108I87.1Confident72.8Confident3 Ų364.4 Ų64.42%0.01531%0.306CS..EExtended strand (participates in β ladder)trans-101.2121.6179.8-50.1170.4000107.9V59 K67 M71 L86 E87 V106V59-I108 HydrophobicContact CB-CG1 4.28Å; V59-I108 HydrophobicContact CB-CG2 4.49Å; V59-I108 WeakPolarHBondContact O-CA 3.42Å; K67-I108 HydrophobicContact CB-CG2 4.22Å; K67-I108 HydrophobicContact CD-CG2 3.73Å; K67-I108 HydrophobicContact CG-CG2 4.2Å; M71-I108 HydrophobicContact CB-CD1 4.01Å; M71-I108 HydrophobicContact CG-CD1 3.64Å; M71-I108 HydrophobicContact CG-CG1 4.22Å; L86-I108 WeakPolarHBondContact CA-O 3.46Å; E87-I108 HydrophobicContact CB-CB 4.1Å; E87-I108 HydrophobicContact CB-CD1 4.36Å; E87-I108 PolarHBondContact N-O 3.37Å; E87-I108 PolarHBondContact O-N 3.02Å; V106-I108 HydrophobicContact CG1-CG1 4.2Å
109L83.5Confident73.5Confident4 Ų456.8 Ų56.82%0.02128%0.277CS..EExtended strand (participates in β ladder)trans-100.5125.2174.7-154.873.3000110.2V59 F60 L86 H115 L119 W152V59-L109 PolarHBondContact O-N 3.48Å; F60-L109 HydrophobicContact CD1-CB 3.92Å; F60-L109 HydrophobicContact CD1-CD2 3.79Å; F60-L109 HydrophobicContact CE1-CB 4.24Å; F60-L109 HydrophobicContact CE1-CD2 3.61Å; L86-L109 HydrophobicContact CD1-CD1 3.82Å; L109-H115 HydrophobicContact CD1-CB 3.48Å; L109-H115 VanDerWaalsContact CD1-CB 3.48Å; L109-H115 HydrophobicContact CD2-CB 4.03Å; L109-H115 HydrophobicContact CG-CB 3.96Å; L109-L119 HydrophobicContact CD1-CD2 4.38Å; L109-L119 HydrophobicContact CD2-CD1 4.27Å; L109-L119 HydrophobicContact CD2-CD2 4.07Å; L109-L119 HydrophobicContact CD2-CG 4.18Å; L109-W152 HydrophobicContact CD2-CH2 4.39Å; L109-W152 HydrophobicContact CD2-CZ3 3.85Å
110D78.9Confident74.1Confident40 Ų4057.9 Ų57.921%0.21428%0.276CS..PPolyproline II helixtrans-87.3152.9171.2-151.616.5000111.1K67 G85 D112 H115K67-D110 WeakPolarHBondContact CE-OD1 3.42Å; K67-D110 IonicContact NZ-OD1 2.7Å; K67-D110 PolarHBondContact NZ-OD1 3.06Å; G85-D110 PolarHBondContact O-N 2.84Å; D110-D112 PolarHBondContact O-N 3.49Å; D110-H115 PolarHBondContact O-CE1 3.46Å; D110-H115 PolarHBondContact O-ND1 3.5Å
111G62Low74.7Confident7 Ų763.2 Ų63.27%0.07230%0.297CS..SBendtrans-59.78.4-155.400000119.7D63 K151D63-G111 WeakPolarHBondContact OD1-CA 3.33Å; D63-G111 PolarHBondContact OD1-N 3.35Å; G111-K151 PolarHBondContact O-NZ 3.35Å
112D68.3Low75.2Confident80 Ų8057 Ų5743%0.42827%0.269SS..  trans-85.5138.4-176.9-151.2-11.6000113D110 Y114 H115D110-D112 PolarHBondContact O-N 3.49Å; D112-Y114 PolarHBondContact O-N 2.93Å; D112-Y114 VanDerWaalsContact OD1-CD2 3.29Å; D112-Y114 WeakPolarHBondContact OD1-CD2 3.46Å; D112-H115 WeakPolarHBondContact CB-CE1 3.35Å; D112-H115 WeakPolarHBondContact CB-ND1 2.97Å; D112-H115 PolarHBondContact O-N 3.28Å; D112-H115 PolarHBondContact O-ND1 2.7Å; D112-H115 VanDerWaalsContact O-ND1 3.08Å
113L63.5Low75.4Confident101 Ų10156.9 Ų56.953%0.52927%0.268SS..G310 helixtrans-72.6-18.1-178.6-71.6165.8000112.4H115 K116 V155L113-H115 PolarHBondContact O-N 3.08Å; L113-K116 WeakPolarHBondContact O-CG 3.49Å; L113-V155 HydrophobicContact CD2-CG2 4.29Å
114Y60.1Low75.4Confident199 Ų19951.1 Ų51.178%0.7826%0.256SS*.G310 helixtrans-71-13.7178-65.2-71.1000113.6D112 K116D112-Y114 PolarHBondContact O-N 2.93Å; D112-Y114 VanDerWaalsContact OD1-CD2 3.29Å; D112-Y114 WeakPolarHBondContact OD1-CD2 3.46Å; Y114-K116 PolarHBondContact O-N 2.78Å; Y114-K116 VanDerWaalsContact O-N 3.1Å
115H64.8Low75.1Confident28 Ų2853.1 Ų53.113%0.1327%0.273CS..G310 helixtrans-77.17.7-176.9-55125.8000115.2G85 L109 D110 D112 L113 G117 L118 L119G85-H115 VanDerWaalsContact CA-CE1 3.49Å; G85-H115 WeakPolarHBondContact CA-CE1 3.33Å; G85-H115 WeakPolarHBondContact CA-NE2 3.34Å; L109-H115 HydrophobicContact CD1-CB 3.48Å; L109-H115 VanDerWaalsContact CD1-CB 3.48Å; L109-H115 HydrophobicContact CD2-CB 4.03Å; L109-H115 HydrophobicContact CG-CB 3.96Å; D110-H115 PolarHBondContact O-CE1 3.46Å; D110-H115 PolarHBondContact O-ND1 3.5Å; D112-H115 WeakPolarHBondContact CB-CE1 3.35Å; D112-H115 WeakPolarHBondContact CB-ND1 2.97Å; D112-H115 PolarHBondContact O-N 3.28Å; D112-H115 PolarHBondContact O-ND1 2.7Å; D112-H115 VanDerWaalsContact O-ND1 3.08Å; L113-H115 PolarHBondContact O-N 3.08Å; H115-G117 PolarHBondContact O-N 2.97Å; H115-G117 VanDerWaalsContact O-N 3.17Å; H115-L118 HydrophobicContact CB-CB 4.45Å; H115-L118 HydrophobicContact CB-CD1 4.25Å; H115-L118 VanDerWaalsContact CD2-CD1 3.44Å; H115-L118 WeakPolarHBondContact CD2-CD1 3.45Å; H115-L118 WeakPolarHBondContact O-CB 3.42Å; H115-L118 PolarHBondContact O-N 3.25Å; H115-L119 PolarHBondContact O-N 3.17Å
116K67.3Low74.5Confident42 Ų4259.4 Ų59.418%0.18330%0.301CS..Hα-helixtrans-53.4-35.6173.2-63.2-80.5177.3158.10112.7L113 Y114 V155 E158L113-K116 WeakPolarHBondContact O-CG 3.49Å; Y114-K116 PolarHBondContact O-N 2.78Å; Y114-K116 VanDerWaalsContact O-N 3.1Å; K116-V155 HydrophobicContact CD-CG1 4.17Å; K116-V155 VanDerWaalsContact NZ-CA 3.33Å; K116-E158 IonicContact NZ-OE1 2.75Å; K116-E158 PolarHBondContact NZ-OE1 2.74Å; K116-E158 IonicContact NZ-OE2 2.59Å; K116-E158 PolarHBondContact NZ-OE2 2.92Å
117G72Confident73.9Confident46 Ų4660.1 Ų60.147%0.47431%0.306SS..Hα-helixtrans-72.8-28.7177.600000113.5H115 K120H115-G117 PolarHBondContact O-N 2.97Å; H115-G117 VanDerWaalsContact O-N 3.17Å; G117-K120 WeakPolarHBondContact O-CB 3.07Å
118L76.4Confident73.3Confident60 Ų6058.5 Ų58.531%0.31430%0.301SS..Hα-helixtrans-76.3-33.5-179.2-61.6-174.6000111.8L86 H115 K120 F121 A122L86-L118 HydrophobicContact CB-CB 4.22Å; L86-L118 HydrophobicContact CB-CD1 3.68Å; L86-L118 HydrophobicContact CD2-CB 4.08Å; H115-L118 HydrophobicContact CB-CB 4.45Å; H115-L118 HydrophobicContact CB-CD1 4.25Å; H115-L118 VanDerWaalsContact CD2-CD1 3.44Å; H115-L118 WeakPolarHBondContact CD2-CD1 3.45Å; H115-L118 WeakPolarHBondContact O-CB 3.42Å; H115-L118 PolarHBondContact O-N 3.25Å; L118-K120 PolarHBondContact O-N 3.38Å; L118-F121 WeakPolarHBondContact O-CB 3.48Å; L118-F121 PolarHBondContact O-N 2.98Å; L118-A122 PolarHBondContact O-N 2.88Å
119L76.1Confident72.8Confident4 Ų462.2 Ų62.22%0.02133%0.325CS..Hα-helixtrans-58.1-30.5175.1-71176.8000112.9F60 L109 H115 F121 A122 V123 V155 H159F60-L119 HydrophobicContact CE1-CD1 4.12Å; F60-L119 HydrophobicContact CE1-CD2 3.81Å; F60-L119 HydrophobicContact CZ-CD1 4.34Å; F60-L119 HydrophobicContact CZ-CD2 3.93Å; L109-L119 HydrophobicContact CD1-CD2 4.38Å; L109-L119 HydrophobicContact CD2-CD1 4.27Å; L109-L119 HydrophobicContact CD2-CD2 4.07Å; L109-L119 HydrophobicContact CD2-CG 4.18Å; H115-L119 PolarHBondContact O-N 3.17Å; L119-F121 PolarHBondContact O-N 3.43Å; L119-A122 PolarHBondContact O-N 3.03Å; L119-A122 VanDerWaalsContact O-N 3.12Å; L119-V123 PolarHBondContact O-N 3.41Å; L119-V155 HydrophobicContact CD1-CG1 4.01Å; L119-H159 VanDerWaalsContact CB-CE1 3.4Å; L119-H159 WeakPolarHBondContact CB-CE1 3.23Å; L119-H159 WeakPolarHBondContact CB-ND1 3.22Å; L119-H159 HydrophobicContact CD1-CB 4.21Å; L119-H159 PolarHBondContact O-CE1 2.97Å; L119-H159 PolarHBondContact O-NE2 3.05Å
120K74.4Confident72.6Confident144 Ų14465.2 Ų65.263%0.62634%0.339SS*.Hα-helixtrans-59.8-29.3175.2-171.6-175.9175.3-176.80112.8G117 L118 H159 M163G117-K120 WeakPolarHBondContact O-CB 3.07Å; L118-K120 PolarHBondContact O-N 3.38Å; K120-H159 PolarHBondContact N-CE1 2.88Å; K120-M163 HydrophobicContact CG-SD 4.35Å
121F77.1Confident72.8Confident161 Ų16163.4 Ų63.471%0.70633%0.329SS*.Hα-helixtrans-83.5-29.4177.4-65.9-75.7000112.5L118 L119L118-F121 WeakPolarHBondContact O-CB 3.48Å; L118-F121 PolarHBondContact O-N 2.98Å; L119-F121 PolarHBondContact O-N 3.43Å
122A78Confident74Confident2 Ų263.2 Ų63.22%0.01733%0.327CS..Hα-helixtrans-79.9-30.317900000112.8L58 W107 L118 L119L58-A122 HydrophobicContact CD2-CB 3.77Å; W107-A122 HydrophobicContact CB-CB 4.1Å; W107-A122 HydrophobicContact CD2-CB 3.78Å; W107-A122 HydrophobicContact CE3-CB 4.37Å; W107-A122 HydrophobicContact CG-CB 3.65Å; L118-A122 PolarHBondContact O-N 2.88Å; L119-A122 PolarHBondContact O-N 3.03Å; L119-A122 VanDerWaalsContact O-N 3.12Å
123V75.5Confident75Confident5 Ų559.4 Ų59.43%0.0331%0.306CS..  trans-119.5105.3-174.9-169.70000110.8L58 L119 L128 H159 M163L58-V123 HydrophobicContact CD1-CG2 3.35Å; L58-V123 HydrophobicContact CD2-CG2 4.08Å; L58-V123 HydrophobicContact CG-CG2 4.29Å; L119-V123 PolarHBondContact O-N 3.41Å; V123-L128 HydrophobicContact CG1-CD2 3.4Å; V123-L128 HydrophobicContact CG1-CG 4.3Å; V123-H159 WeakPolarHBondContact CB-NE2 3.49Å; V123-M163 VanDerWaalsContact O-CE 3.3Å; V123-M163 WeakPolarHBondContact O-CE 3.36Å
124S76.2Confident76.2Confident62 Ų6254.7 Ų54.743%0.43428%0.281SS..  trans-96.3157.1167.9-178.20000110.6E126 S127 L128S124-E126 PolarHBondContact O-N 2.74Å; S124-E126 VanDerWaalsContact O-N 3.13Å; S124-S127 PolarHBondContact N-OG 3.38Å; S124-S127 PolarHBondContact O-N 3.11Å; S124-S127 VanDerWaalsContact O-N 3.08Å; S124-S127 PolarHBondContact O-OG 3.18Å; S124-L128 PolarHBondContact O-N 2.85Å
125A73.8Confident77.7Confident44 Ų4445.2 Ų45.236%0.36425%0.245SC..THydrogen-bonded Turntrans-58.4-24.6175.800000113.2I165A125-I165 HydrophobicContact CB-CG2 3.82Å
126E74.4Confident78.9Confident167 Ų16744.1 Ų44.178%0.7824%0.239SC*.THydrogen-bonded Turntrans-82.2-32.1177.7-64.5179.6173.700112.6S124 P129S124-E126 PolarHBondContact O-N 2.74Å; S124-E126 VanDerWaalsContact O-N 3.13Å; E126-P129 VanDerWaalsContact O-CD 3.28Å; E126-P129 WeakPolarHBondContact O-CD 3.36Å
127S76.1Confident79.9Confident14 Ų1442.3 Ų42.310%0.09823%0.233CC..THydrogen-bonded Turntrans-82.1-12.6-178.455.50000113.8N56 S124 P129 E130 T131N56-S127 WeakPolarHBondContact ND2-CB 3.48Å; S124-S127 PolarHBondContact N-OG 3.38Å; S124-S127 PolarHBondContact O-N 3.11Å; S124-S127 VanDerWaalsContact O-N 3.08Å; S124-S127 PolarHBondContact O-OG 3.18Å; S127-P129 VanDerWaalsContact C-CD 3.4Å; S127-E130 CarbonylContact O-C 3.55Å; S127-E130 WeakPolarHBondContact O-CA 3.42Å; S127-E130 PolarHBondContact O-N 2.87Å; S127-T131 WeakPolarHBondContact O-CG2 3.11Å; S127-T131 PolarHBondContact O-N 2.91Å
128L74.4Confident80.7Confident16 Ų1640.5 Ų40.58%0.08421%0.212CC..G310 helixtrans-52.1-44.2-176.3-70.8172.6000114.8V123 S124 E130 T131 I165 L173 I225V123-L128 HydrophobicContact CG1-CD2 3.4Å; V123-L128 HydrophobicContact CG1-CG 4.3Å; S124-L128 PolarHBondContact O-N 2.85Å; L128-E130 PolarHBondContact O-N 2.85Å; L128-T131 WeakPolarHBondContact CA-OG1 3.42Å; L128-T131 PolarHBondContact O-N 3.35Å; L128-T131 PolarHBondContact O-OG1 3.12Å; L128-I165 HydrophobicContact CD1-CB 4.46Å; L128-I165 HydrophobicContact CD1-CD1 3.38Å; L128-I165 HydrophobicContact CD1-CG1 4.4Å; L128-I165 HydrophobicContact CD1-CG2 3.67Å; L128-L173 HydrophobicContact CB-CD1 4.29Å; L128-I225 HydrophobicContact CD2-CD1 4.21Å
129P76.3Confident81Confident80 Ų8038.2 Ų38.252%0.51920%0.2SC..G310 helixtrans-62.5-25.7177.4-19.633.3000113.1E126 S127 L173E126-P129 VanDerWaalsContact O-CD 3.28Å; E126-P129 WeakPolarHBondContact O-CD 3.36Å; S127-P129 VanDerWaalsContact C-CD 3.4Å; P129-L173 HydrophobicContact CB-CD2 3.85Å; P129-L173 HydrophobicContact CG-CD1 4.35Å; P129-L173 HydrophobicContact CG-CD2 4.05Å
130E78.9Confident81.3Confident68 Ų6839.9 Ų39.932%0.31821%0.212SC..G310 helixtrans-107.113.1-176.4-57.8-174.6173.900112.2G54 K55 N56 S127 L128G54-E130 WeakPolarHBondContact CA-OE2 3.28Å; K55-E130 WeakPolarHBondContact CA-O 3.48Å; K55-E130 HydrophobicContact CB-CB 4.49Å; K55-E130 HydrophobicContact CG-CB 4.23Å; K55-E130 PolarHBondContact N-OE2 3.03Å; N56-E130 PolarHBondContact N-O 3.24Å; N56-E130 VanDerWaalsContact N-O 3.08Å; S127-E130 CarbonylContact O-C 3.55Å; S127-E130 WeakPolarHBondContact O-CA 3.42Å; S127-E130 PolarHBondContact O-N 2.87Å; L128-E130 PolarHBondContact O-N 2.85Å
131T83Confident81.6Confident2 Ų237.3 Ų37.31%0.01220%0.198CC..EExtended strand (participates in β ladder)trans-92.1130.5176.554.70000111.3N56 S127 L128 I225N56-T131 HydrophobicContact CB-CG2 3.92Å; N56-T131 CarbonylContact O-C 3.57Å; N56-T131 WeakPolarHBondContact O-CA 3.39Å; S127-T131 WeakPolarHBondContact O-CG2 3.11Å; S127-T131 PolarHBondContact O-N 2.91Å; L128-T131 WeakPolarHBondContact CA-OG1 3.42Å; L128-T131 PolarHBondContact O-N 3.35Å; L128-T131 PolarHBondContact O-OG1 3.12Å; T131-I225 VanDerWaalsContact O-CG2 3.31Å; T131-I225 WeakPolarHBondContact O-CG2 3.47Å
132L86.9Confident81.7Confident3 Ų330 Ų302%0.01617%0.167CC..EExtended strand (participates in β ladder)trans-117128.6171.1-172.6156.3000108.7N56 I57 L58 I134 L228 I287 K290 T291N56-L132 PolarHBondContact O-N 2.91Å; I57-L132 CarbonylContact C-O 3.54Å; I57-L132 VanDerWaalsContact CA-O 3.31Å; I57-L132 WeakPolarHBondContact CA-O 3.44Å; I57-L132 HydrophobicContact CG1-CB 4.42Å; L58-L132 PolarHBondContact N-O 3.21Å; L132-I134 HydrophobicContact CD2-CD1 3.93Å; L132-I134 HydrophobicContact CD2-CG1 3.32Å; L132-L228 HydrophobicContact CD2-CB 4.24Å; L132-I287 HydrophobicContact CD1-CG1 4.35Å; L132-I287 HydrophobicContact CD1-CG2 4.34Å; L132-K290 HydrophobicContact CD1-CB 4.14Å; L132-T291 HydrophobicContact CB-CG2 4.42Å; L132-T291 HydrophobicContact CD1-CG2 3.97Å
133V89Confident81.8Confident0 Ų032.6 Ų32.60%018%0.176CC..EExtended strand (participates in β ladder)trans-99.9126.5178.5176.30000110.1L58 F60 F135 L156 I225 P226 V227 L228L58-V133 HydrophobicContact CB-CG2 4.32Å; L58-V133 HydrophobicContact CD1-CG2 4.19Å; L58-V133 CarbonylContact O-C 3.51Å; L58-V133 WeakPolarHBondContact O-CA 3.43Å; F60-V133 HydrophobicContact CD2-CG1 3.65Å; F60-V133 HydrophobicContact CE2-CG1 3.66Å; F60-V133 HydrophobicContact CE2-CG2 4.49Å; V133-F135 HydrophobicContact CG1-CD1 3.77Å; V133-F135 HydrophobicContact CG1-CE1 3.41Å; V133-F135 VanDerWaalsContact CG1-CE1 3.41Å; V133-F135 HydrophobicContact CG1-CZ 4.04Å; V133-L156 HydrophobicContact CB-CD2 4.45Å; V133-L156 HydrophobicContact CG1-CD2 4.03Å; V133-L156 HydrophobicContact CG2-CD1 4.26Å; V133-L156 HydrophobicContact CG2-CD2 4.08Å; V133-I225 HydrophobicContact CG2-CG2 3.81Å; V133-P226 PolarHBondContact N-O 2.89Å; V133-V227 HydrophobicContact CB-CG2 4.5Å; V133-V227 CarbonylContact O-C 3.56Å; V133-V227 WeakPolarHBondContact O-CA 3.19Å; V133-L228 PolarHBondContact O-N 2.83Å
134I90.4Very high82.2Confident1 Ų133.7 Ų33.71%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-112.2120.4174.6-53.8-176.4000108.9I57 L58 V59 F60 L132 V136 L228 V230 I287I57-I134 HydrophobicContact CG2-CD1 3.49Å; I57-I134 VanDerWaalsContact CG2-CD1 3.49Å; I57-I134 HydrophobicContact CG2-CG1 3.83Å; L58-I134 PolarHBondContact O-N 2.78Å; V59-I134 WeakPolarHBondContact CA-O 3.31Å; V59-I134 HydrophobicContact CG2-CB 4.37Å; V59-I134 HydrophobicContact CG2-CD1 4.44Å; F60-I134 PolarHBondContact N-O 3.23Å; L132-I134 HydrophobicContact CD2-CD1 3.93Å; L132-I134 HydrophobicContact CD2-CG1 3.32Å; I134-V136 HydrophobicContact CG2-CG2 3.96Å; I134-L228 CarbonylContact C-O 3.46Å; I134-L228 VanDerWaalsContact CA-O 3.26Å; I134-L228 WeakPolarHBondContact CA-O 3.41Å; I134-L228 HydrophobicContact CD1-CD2 4.35Å; I134-L228 HydrophobicContact CG1-CB 4.4Å; I134-L228 HydrophobicContact CG1-CD2 4.3Å; I134-V230 HydrophobicContact CG2-CB 4.17Å; I134-V230 HydrophobicContact CG2-CG2 3.58Å; I134-I287 HydrophobicContact CD1-CD1 3.58Å; I134-I287 HydrophobicContact CD1-CG1 4.44Å
135F90.5Very high82.6Confident1 Ų131 Ų310%0.00416%0.164CC..EExtended strand (participates in β ladder)trans-95.3116.2169-64.8-24.6000109.7F60 V133 L149 W152 L156 V227 L228 V229 V230 F261F60-F135 HydrophobicContact CB-CD1 3.98Å; F60-F135 HydrophobicContact CB-CE1 4.4Å; F60-F135 AromaticContact CD2-CD1 3.76Å; F60-F135 HydrophobicContact CD2-CD1 3.76Å; F60-F135 AromaticContact CD2-CE1 3.53Å; F60-F135 HydrophobicContact CD2-CE1 3.53Å; F60-F135 HydrophobicContact CE2-CE1 4.16Å; F60-F135 HydrophobicContact CG-CD1 4.27Å; F60-F135 HydrophobicContact CG-CE1 4.25Å; V133-F135 HydrophobicContact CG1-CD1 3.77Å; V133-F135 HydrophobicContact CG1-CE1 3.41Å; V133-F135 VanDerWaalsContact CG1-CE1 3.41Å; V133-F135 HydrophobicContact CG1-CZ 4.04Å; F135-L149 HydrophobicContact CB-CD2 3.62Å; F135-L149 HydrophobicContact CD2-CD2 3.94Å; F135-L149 HydrophobicContact CG-CD2 4.11Å; F135-W152 HydrophobicContact CD1-CB 4.2Å; F135-W152 HydrophobicContact CE1-CB 4.02Å; F135-W152 HydrophobicContact CZ-CB 4.46Å; F135-L156 HydrophobicContact CE1-CD2 4.28Å; F135-L156 HydrophobicContact CZ-CD2 3.91Å; F135-V227 HydrophobicContact CD2-CG1 3.94Å; F135-V227 HydrophobicContact CE2-CG1 3.85Å; F135-V227 HydrophobicContact CZ-CG1 4.46Å; F135-L228 PolarHBondContact N-O 2.68Å; F135-V229 HydrophobicContact CB-CG2 4.42Å; F135-V229 HydrophobicContact CD2-CG2 4.25Å; F135-V230 PolarHBondContact O-N 3.02Å; F135-F261 HydrophobicContact CD2-CE1 4.34Å; F135-F261 HydrophobicContact CE2-CE1 4.49Å
136V90.2Very high83Confident4 Ų430.5 Ų30.52%0.02416%0.155CC..EExtended strand (participates in β ladder)trans-100.5109.1179.1-1780000109.6V59 F60 G61 K67 L70 I134 V230 T232V59-V136 HydrophobicContact CG1-CG2 3.51Å; F60-V136 WeakPolarHBondContact O-CB 2.94Å; F60-V136 PolarHBondContact O-N 2.7Å; G61-V136 WeakPolarHBondContact CA-O 3.3Å; K67-V136 HydrophobicContact CB-CG1 4.4Å; L70-V136 HydrophobicContact CD2-CG2 4.18Å; I134-V136 HydrophobicContact CG2-CG2 3.96Å; V136-V230 CarbonylContact C-O 3.54Å; V136-V230 VanDerWaalsContact CA-O 3.31Å; V136-V230 WeakPolarHBondContact CA-O 3.46Å; V136-T232 HydrophobicContact CG1-CG2 3.61Å
137A88.7Confident83.5Confident5 Ų529.2 Ų29.24%0.04115%0.148CC..EExtended strand (participates in β ladder)trans-106.3151.7175.900000110.6V145 V230 C231 T232A137-V145 HydrophobicContact CB-CB 4.26Å; A137-V145 HydrophobicContact CB-CG1 3.5Å; A137-V145 VanDerWaalsContact CB-CG1 3.5Å; A137-V145 HydrophobicContact CB-CG2 3.94Å; A137-V230 PolarHBondContact N-O 2.61Å; A137-C231 CarbonylContact O-C 3.56Å; A137-C231 WeakPolarHBondContact O-CA 3.28Å; A137-T232 PolarHBondContact O-N 2.75Å; A137-T232 PolarHBondContact O-OG1 3.09Å
138D88.1Confident83.9Confident8 Ų829.1 Ų29.14%0.04315%0.148CC..EExtended strand (participates in β ladder)trans-110.2123.5-176.3-174-13.3000110.9S140 R141 V145 K233D138-S140 VanDerWaalsContact C-N 3.27Å; D138-S140 PolarHBondContact O-N 2.73Å; D138-S140 VanDerWaalsContact OD1-CB 3.31Å; D138-S140 WeakPolarHBondContact OD1-CB 3.46Å; D138-S140 PolarHBondContact OD1-N 3Å; D138-S140 PolarHBondContact OD1-OG 3.08Å; D138-S140 PolarHBondContact OD2-OG 3.37Å; D138-R141 PolarHBondContact O-N 3.08Å; D138-V145 WeakPolarHBondContact O-CG2 3.31Å; D138-K233 VanDerWaalsContact OD1-CD 3.26Å; D138-K233 WeakPolarHBondContact OD1-CD 3.33Å; D138-K233 IonicContact OD1-NZ 2.97Å; D138-K233 WeakPolarHBondContact OD2-CE 3.31Å; D138-K233 IonicContact OD2-NZ 3.86Å; D138-K233 PolarHBondContact OD2-NZ 3.41Å
139M84Confident84.5Confident11 Ų1128.5 Ų28.55%0.05415%0.145CC..THydrogen-bonded Turntrans-73.5-12.7177.3-77.8-60.5-170.800114.1R141 P142 C231 T232 K233 L240 I254 L258 Y271M139-R141 PolarHBondContact O-N 2.94Å; M139-P142 WeakPolarHBondContact O-CD 3.42Å; M139-C231 HydrophobicContact CE-CB 3.84Å; M139-C231 HydrophobicContact CG-CB 4.11Å; M139-T232 WeakPolarHBondContact CB-O 3.19Å; M139-T232 PolarHBondContact N-O 2.85Å; M139-K233 WeakPolarHBondContact CB-O 3.5Å; M139-L240 VanDerWaalsContact O-CD1 3.31Å; M139-L240 WeakPolarHBondContact O-CD1 3.35Å; M139-I254 HydrophobicContact CE-CG2 4.3Å; M139-L258 HydrophobicContact CE-CD1 3.86Å; M139-Y271 HydrophobicContact CE-CD1 4.31Å; M139-Y271 HydrophobicContact CE-CD2 4.25Å; M139-Y271 HydrophobicContact CE-CE1 3.62Å; M139-Y271 HydrophobicContact CE-CE2 3.57Å; M139-Y271 VanDerWaalsContact CE-OH 3.32Å; M139-Y271 WeakPolarHBondContact CE-OH 3.47Å
140S81.4Confident84.9Confident39 Ų3928.8 Ų28.827%0.27314%0.139SC..THydrogen-bonded Turntrans-70.3-20.4173.265.30000113.5D138D138-S140 VanDerWaalsContact C-N 3.27Å; D138-S140 PolarHBondContact O-N 2.73Å; D138-S140 VanDerWaalsContact OD1-CB 3.31Å; D138-S140 WeakPolarHBondContact OD1-CB 3.46Å; D138-S140 PolarHBondContact OD1-N 3Å; D138-S140 PolarHBondContact OD1-OG 3.08Å; D138-S140 PolarHBondContact OD2-OG 3.37Å
141R80.4Confident85.3Confident90 Ų9028.6 Ų28.634%0.3414%0.137SC..SBendtrans-133.567.8177.4-64.9-175.1-71.8162.7-2.6110D63 D138 M139 W143 T144D63-R141 PolarHBondContact O-NH2 2.95Å; D138-R141 PolarHBondContact O-N 3.08Å; M139-R141 PolarHBondContact O-N 2.94Å; R141-W143 HydrophobicContact CB-CD2 4.49Å; R141-W143 HydrophobicContact CB-CH2 4.22Å; R141-W143 HydrophobicContact CB-CZ2 3.85Å; R141-W143 HydrophobicContact CG-CH2 3.94Å; R141-W143 HydrophobicContact CG-CZ2 3.6Å; R141-W143 PolarHBondContact O-N 3.4Å; R141-T144 PolarHBondContact O-N 3.13Å
142P79.1Confident85.5Confident7 Ų728.8 Ų28.85%0.04514%0.138CC..Hα-helixtrans-62.6-28.3-173.425.4-32.7000112.6M139 T144 V145 L240 I254M139-P142 WeakPolarHBondContact O-CD 3.42Å; P142-T144 VanDerWaalsContact C-N 3.26Å; P142-T144 PolarHBondContact O-N 3.46Å; P142-V145 WeakPolarHBondContact O-CB 3.16Å; P142-V145 PolarHBondContact O-N 2.67Å; P142-L240 HydrophobicContact CG-CD1 4.48Å; P142-I254 HydrophobicContact CB-CD1 3.65Å; P142-I254 HydrophobicContact CB-CG1 4.4Å; P142-I254 HydrophobicContact CG-CD1 4.16Å
143W81Confident85.4Confident57 Ų5728.7 Ų28.722%0.21614%0.137CC..Hα-helixtrans-62.5-30.7176.358.684.2000113.3R141 I340 K342 P343R141-W143 HydrophobicContact CB-CD2 4.49Å; R141-W143 HydrophobicContact CB-CH2 4.22Å; R141-W143 HydrophobicContact CB-CZ2 3.85Å; R141-W143 HydrophobicContact CG-CH2 3.94Å; R141-W143 HydrophobicContact CG-CZ2 3.6Å; R141-W143 PolarHBondContact O-N 3.4Å; W143-I340 HydrophobicContact CB-CB 4.37Å; W143-I340 HydrophobicContact CB-CG2 3.84Å; W143-I340 HydrophobicContact CE3-CG2 3.95Å; W143-K342 HydrophobicContact CG-CG 4.28Å; W143-P343 HydrophobicContact CH2-CG 3.51Å; W143-P343 HydrophobicContact CZ2-CG 4.29Å; W143-P343 HydrophobicContact CZ3-CG 3.67Å
144T83.4Confident85.2Confident29 Ų2930.5 Ų30.518%0.17815%0.15CC..Hα-helixtrans-84-21.3179.3-61.60000111.4E62 R141 P142 M146 E147 S148E62-T144 HydrophobicContact CG-CG2 4.42Å; R141-T144 PolarHBondContact O-N 3.13Å; P142-T144 VanDerWaalsContact C-N 3.26Å; P142-T144 PolarHBondContact O-N 3.46Å; T144-M146 PolarHBondContact O-N 2.8Å; T144-E147 PolarHBondContact O-N 2.85Å; T144-S148 VanDerWaalsContact CG2-OG 3.29Å; T144-S148 WeakPolarHBondContact CG2-OG 3.21Å; T144-S148 VanDerWaalsContact O-CB 3.28Å; T144-S148 WeakPolarHBondContact O-CB 3.33Å; T144-S148 PolarHBondContact O-N 3.45Å; T144-S148 PolarHBondContact O-OG 2.84Å
145V84.5Confident85Confident5 Ų530.9 Ų30.93%0.0315%0.152CC..Hα-helixtrans-57.8-46.1-174.2170.30000112A137 D138 P142 S148 L149 L258A137-V145 HydrophobicContact CB-CB 4.26Å; A137-V145 HydrophobicContact CB-CG1 3.5Å; A137-V145 VanDerWaalsContact CB-CG1 3.5Å; A137-V145 HydrophobicContact CB-CG2 3.94Å; D138-V145 WeakPolarHBondContact O-CG2 3.31Å; P142-V145 WeakPolarHBondContact O-CB 3.16Å; P142-V145 PolarHBondContact O-N 2.67Å; V145-S148 PolarHBondContact O-N 3.38Å; V145-L149 HydrophobicContact CG1-CD1 3.66Å; V145-L149 HydrophobicContact CG1-CG 4.2Å; V145-L149 VanDerWaalsContact O-CB 3.28Å; V145-L149 WeakPolarHBondContact O-CB 3.31Å; V145-L149 WeakPolarHBondContact O-CG 3.14Å; V145-L149 PolarHBondContact O-N 3.11Å; V145-L258 HydrophobicContact CG1-CD2 3.82Å
146M82.5Confident84.6Confident34 Ų3430.9 Ų30.917%0.16715%0.152CC..Hα-helixtrans-66.1-44.8-178.3-68-59.4-48.500112.5T144 L149 Q150 H257 L258 Y336T144-M146 PolarHBondContact O-N 2.8Å; M146-L149 PolarHBondContact O-N 2.78Å; M146-Q150 WeakPolarHBondContact O-CB 3.31Å; M146-Q150 PolarHBondContact O-N 2.9Å; M146-H257 HydrophobicContact SD-CB 4.19Å; M146-L258 HydrophobicContact SD-CD2 4.42Å; M146-Y336 HydrophobicContact CB-CE1 4.47Å; M146-Y336 HydrophobicContact CB-CE2 4.48Å; M146-Y336 HydrophobicContact CE-CE1 4.37Å; M146-Y336 HydrophobicContact CE-CE2 4.23Å; M146-Y336 WeakPolarHBondContact CE-OH 3.1Å; M146-Y336 HydrophobicContact CG-CD1 3.81Å; M146-Y336 HydrophobicContact CG-CD2 4.5Å; M146-Y336 HydrophobicContact CG-CE1 3.43Å; M146-Y336 VanDerWaalsContact CG-CE1 3.43Å; M146-Y336 HydrophobicContact CG-CE2 4.17Å; M146-Y336 HydrophobicContact CG-CG 4.32Å; M146-Y336 HydrophobicContact SD-CE1 3.97Å; M146-Y336 PolarHBondContact SD-OH 2.73Å
147E84.9Confident84.2Confident139 Ų13933.2 Ų33.265%0.6516%0.161SC*.Hα-helixtrans-65-45.1177.5-171.4-178176.700110.9T144 Q150 K151T144-E147 PolarHBondContact O-N 2.85Å; E147-Q150 PolarHBondContact O-N 2.94Å; E147-K151 VanDerWaalsContact O-CB 3.29Å; E147-K151 WeakPolarHBondContact O-CB 3.48Å; E147-K151 PolarHBondContact O-N 2.98Å
148S84.4Confident83.9Confident12 Ų1237 Ų378%0.08418%0.178CC..Hα-helixtrans-62.5-45.7176.9-72.20000111.7E62 T144 V145 Q150 K151 W152E62-S148 WeakPolarHBondContact OE2-CB 3.44Å; E62-S148 PolarHBondContact OE2-OG 2.78Å; T144-S148 VanDerWaalsContact CG2-OG 3.29Å; T144-S148 WeakPolarHBondContact CG2-OG 3.21Å; T144-S148 VanDerWaalsContact O-CB 3.28Å; T144-S148 WeakPolarHBondContact O-CB 3.33Å; T144-S148 PolarHBondContact O-N 3.45Å; T144-S148 PolarHBondContact O-OG 2.84Å; V145-S148 PolarHBondContact O-N 3.38Å; S148-Q150 VanDerWaalsContact C-N 3.3Å; S148-Q150 PolarHBondContact O-N 2.99Å; S148-K151 WeakPolarHBondContact O-CB 3.42Å; S148-K151 PolarHBondContact O-N 2.89Å; S148-W152 WeakPolarHBondContact O-CB 3.31Å; S148-W152 PolarHBondContact O-N 2.66Å
149L86.8Confident83.4Confident3 Ų337.1 Ų37.12%0.01618%0.178CC..Hα-helixtrans-59.3-43.2177.2-78.1171.9000111.4F135 V145 M146 W152 A153 V229 L258 F261F135-L149 HydrophobicContact CB-CD2 3.62Å; F135-L149 HydrophobicContact CD2-CD2 3.94Å; F135-L149 HydrophobicContact CG-CD2 4.11Å; V145-L149 HydrophobicContact CG1-CD1 3.66Å; V145-L149 HydrophobicContact CG1-CG 4.2Å; V145-L149 VanDerWaalsContact O-CB 3.28Å; V145-L149 WeakPolarHBondContact O-CB 3.31Å; V145-L149 WeakPolarHBondContact O-CG 3.14Å; V145-L149 PolarHBondContact O-N 3.11Å; M146-L149 PolarHBondContact O-N 2.78Å; L149-W152 PolarHBondContact O-N 2.69Å; L149-A153 WeakPolarHBondContact O-CB 3.5Å; L149-A153 PolarHBondContact O-N 3.28Å; L149-V229 HydrophobicContact CD1-CG1 4.45Å; L149-V229 HydrophobicContact CD2-CG1 4.05Å; L149-L258 HydrophobicContact CD1-CD2 3.51Å; L149-F261 HydrophobicContact CB-CE1 4.11Å; L149-F261 HydrophobicContact CB-CE2 4.02Å; L149-F261 HydrophobicContact CB-CZ 3.71Å; L149-F261 HydrophobicContact CD1-CD1 4.33Å; L149-F261 HydrophobicContact CD1-CE1 4.34Å; L149-F261 HydrophobicContact CD2-CE1 4.17Å; L149-F261 HydrophobicContact CG-CE1 4.45Å
150Q86Confident83.1Confident86 Ų8637.4 Ų37.440%0.40218%0.179SC..Hα-helixtrans-70.7-35.8177.9-17267.3-36.100112.8M146 E147 S148 S154 Y265M146-Q150 WeakPolarHBondContact O-CB 3.31Å; M146-Q150 PolarHBondContact O-N 2.9Å; E147-Q150 PolarHBondContact O-N 2.94Å; S148-Q150 VanDerWaalsContact C-N 3.3Å; S148-Q150 PolarHBondContact O-N 2.99Å; Q150-S154 WeakPolarHBondContact O-CB 3.28Å; Q150-S154 PolarHBondContact O-N 3.43Å; Q150-S154 PolarHBondContact O-OG 3.39Å; Q150-Y265 PolarHBondContact OE1-OH 3.37Å
151K86.5Confident83Confident64 Ų6440.9 Ų40.928%0.27820%0.195SC..Hα-helixtrans-59.9-49.8170.6177.7-173.8169.5-166.30110.1G111 E147 S148 S154 V155G111-K151 PolarHBondContact O-NZ 3.35Å; E147-K151 VanDerWaalsContact O-CB 3.29Å; E147-K151 WeakPolarHBondContact O-CB 3.48Å; E147-K151 PolarHBondContact O-N 2.98Å; S148-K151 WeakPolarHBondContact O-CB 3.42Å; S148-K151 PolarHBondContact O-N 2.89Å; K151-S154 PolarHBondContact O-N 3.48Å; K151-V155 VanDerWaalsContact O-CG2 3.25Å; K151-V155 WeakPolarHBondContact O-CG2 3.22Å; K151-V155 PolarHBondContact O-N 2.84Å
152W86.5Confident82.8Confident7 Ų743.2 Ų43.23%0.02721%0.208CC..Hα-helixtrans-64.5-41.4179.1-69.7122.9000112.6F60 G61 L109 F135 S148 L149 S154 V155 L156F60-W152 HydrophobicContact CB-CB 4.39Å; F60-W152 HydrophobicContact CB-CD2 3.72Å; F60-W152 HydrophobicContact CB-CE3 3.81Å; F60-W152 HydrophobicContact CB-CG 3.98Å; F60-W152 HydrophobicContact CB-CZ3 4.36Å; F60-W152 HydrophobicContact CD1-CD2 4.25Å; F60-W152 AromaticContact CD1-CE3 3.44Å; F60-W152 HydrophobicContact CD1-CE3 3.44Å; F60-W152 VanDerWaalsContact CD1-CE3 3.44Å; F60-W152 HydrophobicContact CD1-CH2 4.48Å; F60-W152 AromaticContact CD1-CZ3 3.61Å; F60-W152 HydrophobicContact CD1-CZ3 3.61Å; F60-W152 HydrophobicContact CE1-CE3 4.26Å; F60-W152 HydrophobicContact CE1-CZ3 4.37Å; F60-W152 HydrophobicContact CG-CD2 4.28Å; F60-W152 AromaticContact CG-CE3 3.89Å; F60-W152 HydrophobicContact CG-CE3 3.89Å; F60-W152 HydrophobicContact CG-CZ3 4.4Å; G61-W152 VanDerWaalsContact O-CZ2 3.22Å; G61-W152 WeakPolarHBondContact O-CZ2 3.45Å; L109-W152 HydrophobicContact CD2-CH2 4.39Å; L109-W152 HydrophobicContact CD2-CZ3 3.85Å; F135-W152 HydrophobicContact CD1-CB 4.2Å; F135-W152 HydrophobicContact CE1-CB 4.02Å; F135-W152 HydrophobicContact CZ-CB 4.46Å; S148-W152 WeakPolarHBondContact O-CB 3.31Å; S148-W152 PolarHBondContact O-N 2.66Å; L149-W152 PolarHBondContact O-N 2.69Å; W152-S154 VanDerWaalsContact C-N 3.33Å; W152-S154 PolarHBondContact O-N 2.83Å; W152-V155 HydrophobicContact CE3-CB 4.48Å; W152-V155 PolarHBondContact O-N 3.07Å; W152-L156 WeakPolarHBondContact O-CB 3.39Å; W152-L156 PolarHBondContact O-N 2.9Å
153A85Confident82.1Confident0 Ų045.4 Ų45.40%022%0.218CC..Hα-helixtrans-62.3-40.2174.100000112.1L149 L156 R157 F261 Y265L149-A153 WeakPolarHBondContact O-CB 3.5Å; L149-A153 PolarHBondContact O-N 3.28Å; A153-L156 PolarHBondContact O-N 3.49Å; A153-R157 WeakPolarHBondContact O-CB 3.42Å; A153-R157 WeakPolarHBondContact O-CG 3.2Å; A153-R157 PolarHBondContact O-N 2.95Å; A153-F261 HydrophobicContact CB-CZ 4.37Å; A153-Y265 HydrophobicContact CB-CE1 3.9Å; A153-Y265 WeakPolarHBondContact CB-OH 3.08Å
154S85.3Confident80.9Confident39 Ų3951.8 Ų51.827%0.27325%0.247SC..Hα-helixtrans-67.2-38.4174.9-56.60000111.7Q150 K151 W152 L156 R157 E158Q150-S154 WeakPolarHBondContact O-CB 3.28Å; Q150-S154 PolarHBondContact O-N 3.43Å; Q150-S154 PolarHBondContact O-OG 3.39Å; K151-S154 PolarHBondContact O-N 3.48Å; W152-S154 VanDerWaalsContact C-N 3.33Å; W152-S154 PolarHBondContact O-N 2.83Å; S154-L156 VanDerWaalsContact C-N 3.33Å; S154-L156 PolarHBondContact O-N 2.96Å; S154-R157 PolarHBondContact O-N 2.8Å; S154-R157 PolarHBondContact OG-NH2 2.81Å; S154-E158 WeakPolarHBondContact O-CG 3.28Å; S154-E158 PolarHBondContact O-N 3.46Å
155V84.9Confident80Confident9 Ų951.6 Ų51.66%0.05525%0.245CC..Hα-helixtrans-62.6-42.8175.4169.50000111.7L113 K116 L119 K151 W152 H159L113-V155 HydrophobicContact CD2-CG2 4.29Å; K116-V155 HydrophobicContact CD-CG1 4.17Å; K116-V155 VanDerWaalsContact NZ-CA 3.33Å; L119-V155 HydrophobicContact CD1-CG1 4.01Å; K151-V155 VanDerWaalsContact O-CG2 3.25Å; K151-V155 WeakPolarHBondContact O-CG2 3.22Å; K151-V155 PolarHBondContact O-N 2.84Å; W152-V155 HydrophobicContact CE3-CB 4.48Å; W152-V155 PolarHBondContact O-N 3.07Å; V155-H159 WeakPolarHBondContact O-CB 3.3Å; V155-H159 PolarHBondContact O-N 3.43Å
156L82.9Confident79.3Confident1 Ų154.9 Ų54.91%0.00527%0.266CS..Hα-helixtrans-67.1-44.3177.6-175.161.8000111.7F60 V133 F135 W152 A153 S154 E158 H159 I160 L223F60-L156 HydrophobicContact CE2-CD1 4.19Å; F60-L156 HydrophobicContact CZ-CD1 4.3Å; V133-L156 HydrophobicContact CB-CD2 4.45Å; V133-L156 HydrophobicContact CG1-CD2 4.03Å; V133-L156 HydrophobicContact CG2-CD1 4.26Å; V133-L156 HydrophobicContact CG2-CD2 4.08Å; F135-L156 HydrophobicContact CE1-CD2 4.28Å; F135-L156 HydrophobicContact CZ-CD2 3.91Å; W152-L156 WeakPolarHBondContact O-CB 3.39Å; W152-L156 PolarHBondContact O-N 2.9Å; A153-L156 PolarHBondContact O-N 3.49Å; S154-L156 VanDerWaalsContact C-N 3.33Å; S154-L156 PolarHBondContact O-N 2.96Å; L156-E158 PolarHBondContact O-N 3.34Å; L156-H159 WeakPolarHBondContact O-CB 3.4Å; L156-H159 PolarHBondContact O-N 2.82Å; L156-H159 VanDerWaalsContact O-N 3.12Å; L156-I160 HydrophobicContact CD1-CD1 4.31Å; L156-I160 HydrophobicContact CG-CD1 4Å; L156-I160 WeakPolarHBondContact O-CG1 3.49Å; L156-I160 PolarHBondContact O-N 2.85Å; L156-L223 HydrophobicContact CB-CD1 4.46Å; L156-L223 HydrophobicContact CD2-CD1 3.51Å; L156-L223 HydrophobicContact CG-CD1 3.92Å
157R81.1Confident78.6Confident52 Ų5257.4 Ų57.420%0.19629%0.285CS..Hα-helixtrans-54.3-53.4173.3-81.8-174.4-69-96.82.4111.9A153 S154 H159 I160 D161 L223 Y265A153-R157 WeakPolarHBondContact O-CB 3.42Å; A153-R157 WeakPolarHBondContact O-CG 3.2Å; A153-R157 PolarHBondContact O-N 2.95Å; S154-R157 PolarHBondContact O-N 2.8Å; S154-R157 PolarHBondContact OG-NH2 2.81Å; R157-H159 PolarHBondContact O-N 3.3Å; R157-I160 PolarHBondContact O-N 3.37Å; R157-D161 PolarHBondContact O-N 2.91Å; R157-L223 HydrophobicContact CG-CD2 3.51Å; R157-Y265 PolarHBondContact NH1-OH 3.36Å
158E83.4Confident77.8Confident86 Ų8657.1 Ų57.140%0.40228%0.284SS..Hα-helixtrans-60.9-33177.8-75.7178.9-139.900113K116 S154 L156 K162K116-E158 IonicContact NZ-OE1 2.75Å; K116-E158 PolarHBondContact NZ-OE1 2.74Å; K116-E158 IonicContact NZ-OE2 2.59Å; K116-E158 PolarHBondContact NZ-OE2 2.92Å; S154-E158 WeakPolarHBondContact O-CG 3.28Å; S154-E158 PolarHBondContact O-N 3.46Å; L156-E158 PolarHBondContact O-N 3.34Å; E158-K162 WeakPolarHBondContact O-CB 3.17Å; E158-K162 WeakPolarHBondContact O-CG 3.29Å; E158-K162 PolarHBondContact O-N 3.4Å
159H77.9Confident77.1Confident10 Ų1062.4 Ų62.45%0.04631%0.305CS..Hα-helixtrans-69.5-42.8178.1-17562.5000111.2L119 K120 V123 V155 L156 R157 K162 M163L119-H159 VanDerWaalsContact CB-CE1 3.4Å; L119-H159 WeakPolarHBondContact CB-CE1 3.23Å; L119-H159 WeakPolarHBondContact CB-ND1 3.22Å; L119-H159 HydrophobicContact CD1-CB 4.21Å; L119-H159 PolarHBondContact O-CE1 2.97Å; L119-H159 PolarHBondContact O-NE2 3.05Å; K120-H159 PolarHBondContact N-CE1 2.88Å; V123-H159 WeakPolarHBondContact CB-NE2 3.49Å; V155-H159 WeakPolarHBondContact O-CB 3.3Å; V155-H159 PolarHBondContact O-N 3.43Å; L156-H159 WeakPolarHBondContact O-CB 3.4Å; L156-H159 PolarHBondContact O-N 2.82Å; L156-H159 VanDerWaalsContact O-N 3.12Å; R157-H159 PolarHBondContact O-N 3.3Å; H159-K162 PolarHBondContact O-N 2.84Å; H159-M163 WeakPolarHBondContact O-CG 3.21Å; H159-M163 PolarHBondContact O-N 2.8Å
160I77.8Confident76Confident16 Ų1665.1 Ų65.18%0.08232%0.319CS..Hα-helixtrans-63.2-45.1175.9-66.3163000110.4L156 R157 K162 M163 M170 L223 I225L156-I160 HydrophobicContact CD1-CD1 4.31Å; L156-I160 HydrophobicContact CG-CD1 4Å; L156-I160 WeakPolarHBondContact O-CG1 3.49Å; L156-I160 PolarHBondContact O-N 2.85Å; R157-I160 PolarHBondContact O-N 3.37Å; I160-K162 VanDerWaalsContact C-N 3.32Å; I160-K162 PolarHBondContact O-N 2.9Å; I160-M163 PolarHBondContact O-N 3.36Å; I160-M163 VanDerWaalsContact O-N 3.09Å; I160-M170 HydrophobicContact CG2-CE 4.08Å; I160-L223 HydrophobicContact CD1-CB 3.7Å; I160-L223 HydrophobicContact CD1-CD1 4.31Å; I160-L223 HydrophobicContact CD1-CD2 3.96Å; I160-L223 HydrophobicContact CD1-CG 4.18Å; I160-I225 HydrophobicContact CD1-CD1 4Å; I160-I225 HydrophobicContact CG1-CD1 4.31Å
161D77.9Confident75.4Confident113 Ų11367 Ų6760%0.60432%0.322SS*.Hα-helixtrans-62.6-38.1178.4-72.6-24.3000112.4R157 M163 K164R157-D161 PolarHBondContact O-N 2.91Å; D161-M163 VanDerWaalsContact C-N 3.27Å; D161-M163 PolarHBondContact O-N 2.93Å; D161-K164 VanDerWaalsContact O-CG 3.32Å; D161-K164 WeakPolarHBondContact O-CG 3.34Å; D161-K164 PolarHBondContact O-N 2.97Å
162K77.6Confident75Confident139 Ų13969 Ų6960%0.60433%0.333SS*.Hα-helixtrans-67.9-26.6176.1-78.6172.6-176.8171.80113E158 H159 I160 K164E158-K162 WeakPolarHBondContact O-CB 3.17Å; E158-K162 WeakPolarHBondContact O-CG 3.29Å; E158-K162 PolarHBondContact O-N 3.4Å; H159-K162 PolarHBondContact O-N 2.84Å; I160-K162 VanDerWaalsContact C-N 3.32Å; I160-K162 PolarHBondContact O-N 2.9Å; K162-K164 VanDerWaalsContact C-N 3.33Å
163M64.7Low74.2Confident53 Ų5370.2 Ų70.226%0.26134%0.339SS..THydrogen-bonded Turntrans-84-5-178.4-69.7-64.5-7000113.7K120 V123 H159 I160 D161 I165K120-M163 HydrophobicContact CG-SD 4.35Å; V123-M163 VanDerWaalsContact O-CE 3.3Å; V123-M163 WeakPolarHBondContact O-CE 3.36Å; H159-M163 WeakPolarHBondContact O-CG 3.21Å; H159-M163 PolarHBondContact O-N 2.8Å; I160-M163 PolarHBondContact O-N 3.36Å; I160-M163 VanDerWaalsContact O-N 3.09Å; D161-M163 VanDerWaalsContact C-N 3.27Å; D161-M163 PolarHBondContact O-N 2.93Å; M163-I165 PolarHBondContact O-N 3.34Å
164K55.9Low73.5Confident190 Ų19073.5 Ų73.583%0.82636%0.355SS*.  trans17.361177.2-80.4-158.1175.8-173.40113.6D161 K162D161-K164 VanDerWaalsContact O-CG 3.32Å; D161-K164 WeakPolarHBondContact O-CG 3.34Å; D161-K164 PolarHBondContact O-N 2.97Å; K162-K164 VanDerWaalsContact C-N 3.33Å
165I64.5Low72.9Confident25 Ų2579.2 Ų79.213%0.12837%0.37CS..  trans-65.8152.4174.345.6178.8000109.7A125 L128 M163 P167 M170A125-I165 HydrophobicContact CB-CG2 3.82Å; L128-I165 HydrophobicContact CD1-CB 4.46Å; L128-I165 HydrophobicContact CD1-CD1 3.38Å; L128-I165 HydrophobicContact CD1-CG1 4.4Å; L128-I165 HydrophobicContact CD1-CG2 3.67Å; M163-I165 PolarHBondContact O-N 3.34Å; I165-P167 VanDerWaalsContact O-N 3.16Å; I165-M170 HydrophobicContact CD1-CB 4.05Å; I165-M170 HydrophobicContact CD1-CG 4.29Å; I165-M170 HydrophobicContact CD1-SD 4.4Å; I165-M170 HydrophobicContact CG1-CB 4.44Å
166P68.7Low72.4Confident75 Ų7584.5 Ų84.549%0.48739%0.393SS..  trans-50.4123.8172.8-27.435.2000110.3E168 K169 M170P166-E168 PolarHBondContact O-N 3.44Å; P166-K169 PolarHBondContact O-N 3.45Å; P166-K169 VanDerWaalsContact O-N 3.11Å; P166-M170 PolarHBondContact O-N 3.27Å
167P67.8Low71.8Confident87 Ų8785.6 Ų85.657%0.56540%0.397SS*.Hα-helixtrans-63.4-16.5-173.225.6-35.3000112.8I165 R171I165-P167 VanDerWaalsContact O-N 3.16Å; P167-R171 VanDerWaalsContact O-CB 3.28Å; P167-R171 WeakPolarHBondContact O-CB 3.22Å; P167-R171 PolarHBondContact O-N 2.83Å
168E68.5Low71.3Confident133 Ų13384.6 Ų84.662%0.62140%0.397SS*.Hα-helixtrans-64.4-49.1173.9-66.3-176.316300111.7P166 M170 R171 E172P166-E168 PolarHBondContact O-N 3.44Å; E168-M170 VanDerWaalsContact C-N 3.33Å; E168-M170 PolarHBondContact O-N 3.4Å; E168-R171 PolarHBondContact O-N 2.8Å; E168-E172 WeakPolarHBondContact O-CG 3.31Å; E168-E172 PolarHBondContact O-N 3.17Å
169K68.9Low70.6Confident122 Ų12287.3 Ų87.353%0.5341%0.407SS..Hα-helixtrans-66-37.7177.9-68.7-171.8177.6-175.50111.7P166 E172 L173P166-K169 PolarHBondContact O-N 3.45Å; P166-K169 VanDerWaalsContact O-N 3.11Å; K169-E172 PolarHBondContact O-N 2.97Å; K169-L173 WeakPolarHBondContact O-CB 3.05Å; K169-L173 VanDerWaalsContact O-CG 3.26Å; K169-L173 WeakPolarHBondContact O-CG 3.43Å; K169-L173 PolarHBondContact O-N 3.24Å
170M65.3Low70.1Confident61 Ų6191.8 Ų91.830%0.343%0.432SS..Hα-helixtrans-65.4-43177.6-169.2173.617900111.5I160 I165 P166 E168 L173 E174I160-M170 HydrophobicContact CG2-CE 4.08Å; I165-M170 HydrophobicContact CD1-CB 4.05Å; I165-M170 HydrophobicContact CD1-CG 4.29Å; I165-M170 HydrophobicContact CD1-SD 4.4Å; I165-M170 HydrophobicContact CG1-CB 4.44Å; P166-M170 PolarHBondContact O-N 3.27Å; E168-M170 VanDerWaalsContact C-N 3.33Å; E168-M170 PolarHBondContact O-N 3.4Å; M170-L173 PolarHBondContact O-N 3.48Å; M170-E174 WeakPolarHBondContact O-CB 3.15Å; M170-E174 PolarHBondContact O-N 3.11Å
171R73Confident69.6Low124 Ų12492.2 Ų92.247%0.46843%0.433SS..Hα-helixtrans-67.9-35.6176.6-166.8-170.7-58129-0.3112.1P167 E168 R175P167-R171 VanDerWaalsContact O-CB 3.28Å; P167-R171 WeakPolarHBondContact O-CB 3.22Å; P167-R171 PolarHBondContact O-N 2.83Å; E168-R171 PolarHBondContact O-N 2.8Å; R171-R175 VanDerWaalsContact O-CB 3.31Å; R171-R175 WeakPolarHBondContact O-CB 3.25Å; R171-R175 VanDerWaalsContact O-CG 3.22Å; R171-R175 WeakPolarHBondContact O-CG 3.35Å; R171-R175 PolarHBondContact O-N 3.03Å
172E78.2Confident68.6Low108 Ų10890.6 Ų90.651%0.50542%0.422SS..Hα-helixtrans-65.5-44.4173.3-76.6176.2-169.400111.9E168 K169 R175 K176E168-E172 WeakPolarHBondContact O-CG 3.31Å; E168-E172 PolarHBondContact O-N 3.17Å; K169-E172 PolarHBondContact O-N 2.97Å; E172-R175 PolarHBondContact O-N 2.76Å; E172-K176 WeakPolarHBondContact O-CB 3.38Å; E172-K176 VanDerWaalsContact O-CG 3.3Å; E172-K176 WeakPolarHBondContact O-CG 3.44Å; E172-K176 PolarHBondContact O-N 2.84Å
173L69.1Low67.3Low31 Ų3190.3 Ų90.316%0.16243%0.427CS..Hα-helixtrans-64.5-42.6176.2-73.2172.3000111.6L128 P129 K169 M170 K176 F177L128-L173 HydrophobicContact CB-CD1 4.29Å; P129-L173 HydrophobicContact CB-CD2 3.85Å; P129-L173 HydrophobicContact CG-CD1 4.35Å; P129-L173 HydrophobicContact CG-CD2 4.05Å; K169-L173 WeakPolarHBondContact O-CB 3.05Å; K169-L173 VanDerWaalsContact O-CG 3.26Å; K169-L173 WeakPolarHBondContact O-CG 3.43Å; K169-L173 PolarHBondContact O-N 3.24Å; M170-L173 PolarHBondContact O-N 3.48Å; L173-K176 PolarHBondContact O-N 2.79Å; L173-F177 VanDerWaalsContact O-CB 3.25Å; L173-F177 WeakPolarHBondContact O-CB 3.5Å; L173-F177 PolarHBondContact O-N 3.42Å
174E71Confident66.8Low70 Ų7091 Ų9133%0.32743%0.427SS..Hα-helixtrans-62.1-45.5174.5-173.5-179.6-166.100111.1M170 K176 F177 V178 N222M170-E174 WeakPolarHBondContact O-CB 3.15Å; M170-E174 PolarHBondContact O-N 3.11Å; E174-K176 PolarHBondContact O-N 3.26Å; E174-F177 PolarHBondContact O-N 2.89Å; E174-V178 HydrophobicContact CG-CG2 4.33Å; E174-V178 WeakPolarHBondContact O-CB 3.26Å; E174-V178 WeakPolarHBondContact O-CG2 3.27Å; E174-V178 PolarHBondContact O-N 2.87Å; E174-N222 HydrophobicContact CG-CB 4.32Å; E174-N222 PolarHBondContact OE1-ND2 3.5Å
175R72.6Confident66Low158 Ų15889.2 Ų89.260%0.59642%0.424SS*.Hα-helixtrans-64.1-38.8176.5-77.3175.2-179.9177.9-1.4112.7R171 E172 K179R171-R175 VanDerWaalsContact O-CB 3.31Å; R171-R175 WeakPolarHBondContact O-CB 3.25Å; R171-R175 VanDerWaalsContact O-CG 3.22Å; R171-R175 WeakPolarHBondContact O-CG 3.35Å; R171-R175 PolarHBondContact O-N 3.03Å; E172-R175 PolarHBondContact O-N 2.76Å; R175-K179 WeakPolarHBondContact O-CB 3.04Å; R175-K179 WeakPolarHBondContact O-CG 3.47Å; R175-K179 PolarHBondContact O-N 2.97Å
176K73.2Confident64.8Low121 Ų12193.1 Ų93.153%0.52644%0.441SS..Hα-helixtrans-64-49174.1-76.8176.7-178.5178.90109.9E172 L173 E174 V178 K179 D180E172-K176 WeakPolarHBondContact O-CB 3.38Å; E172-K176 VanDerWaalsContact O-CG 3.3Å; E172-K176 WeakPolarHBondContact O-CG 3.44Å; E172-K176 PolarHBondContact O-N 2.84Å; L173-K176 PolarHBondContact O-N 2.79Å; E174-K176 PolarHBondContact O-N 3.26Å; K176-V178 VanDerWaalsContact C-N 3.35Å; K176-V178 PolarHBondContact O-N 3.03Å; K176-K179 CarbonylContact O-C 3.59Å; K176-K179 WeakPolarHBondContact O-CA 3.42Å; K176-K179 WeakPolarHBondContact O-CB 3.21Å; K176-K179 PolarHBondContact O-N 3.38Å; K176-K179 VanDerWaalsContact O-N 3.11Å; K176-D180 WeakPolarHBondContact O-CB 3.46Å; K176-D180 PolarHBondContact O-N 2.65Å
177F71.9Confident63.1Low23 Ų2393 Ų9310%0.10144%0.441CS..Hα-helixtrans-61.4-41.4178.8-172.1-102.7000112.9L173 E174 D180 F181 L219 P226L173-F177 VanDerWaalsContact O-CB 3.25Å; L173-F177 WeakPolarHBondContact O-CB 3.5Å; L173-F177 PolarHBondContact O-N 3.42Å; E174-F177 PolarHBondContact O-N 2.89Å; F177-D180 PolarHBondContact O-N 2.93Å; F177-F181 WeakPolarHBondContact O-CB 3.49Å; F177-F181 PolarHBondContact O-N 3.12Å; F177-L219 HydrophobicContact CD1-CD2 4.5Å; F177-L219 HydrophobicContact CE1-CD2 3.96Å; F177-P226 HydrophobicContact CD2-CG 4.35Å; F177-P226 HydrophobicContact CE2-CB 4.2Å; F177-P226 HydrophobicContact CE2-CG 4.26Å
178V70.2Confident61.1Low32 Ų3297.8 Ų97.819%0.19446%0.455CS..Hα-helixtrans-64.9-41.2174.9171.10000110.6E174 K176 F181 Q182 L219E174-V178 HydrophobicContact CG-CG2 4.33Å; E174-V178 WeakPolarHBondContact O-CB 3.26Å; E174-V178 WeakPolarHBondContact O-CG2 3.27Å; E174-V178 PolarHBondContact O-N 2.87Å; K176-V178 VanDerWaalsContact C-N 3.35Å; K176-V178 PolarHBondContact O-N 3.03Å; V178-F181 PolarHBondContact O-N 2.79Å; V178-Q182 HydrophobicContact CG1-CG 4.38Å; V178-Q182 VanDerWaalsContact O-CB 3.3Å; V178-Q182 WeakPolarHBondContact O-CB 3.32Å; V178-Q182 WeakPolarHBondContact O-CG 3.42Å; V178-Q182 PolarHBondContact O-N 3.46Å; V178-L219 HydrophobicContact CG2-CD1 4.14Å
179K69Low59.2Low142 Ų14298 Ų9862%0.61746%0.456SS*.Hα-helixtrans-63.4-49.6173.4-77.1177178.2-166.10110.9R175 K176 F181 Q182 D183R175-K179 WeakPolarHBondContact O-CB 3.04Å; R175-K179 WeakPolarHBondContact O-CG 3.47Å; R175-K179 PolarHBondContact O-N 2.97Å; K176-K179 CarbonylContact O-C 3.59Å; K176-K179 WeakPolarHBondContact O-CA 3.42Å; K176-K179 WeakPolarHBondContact O-CB 3.21Å; K176-K179 PolarHBondContact O-N 3.38Å; K176-K179 VanDerWaalsContact O-N 3.11Å; K179-F181 PolarHBondContact O-N 3.2Å; K179-Q182 CarbonylContact O-C 3.54Å; K179-Q182 PolarHBondContact O-N 3.22Å; K179-D183 WeakPolarHBondContact O-CA 3.48Å; K179-D183 WeakPolarHBondContact O-CB 3.49Å; K179-D183 PolarHBondContact O-N 2.97Å
180D67.1Low57.2Low104 Ų10495.2 Ų95.256%0.55646%0.462SS*.Hα-helixtrans-60.2-36.5178.6-59.3-21.8000111K176 F177 Y184K176-D180 WeakPolarHBondContact O-CB 3.46Å; K176-D180 PolarHBondContact O-N 2.65Å; F177-D180 PolarHBondContact O-N 2.93Å; D180-Y184 VanDerWaalsContact O-CB 3.23Å; D180-Y184 WeakPolarHBondContact O-CB 3.3Å; D180-Y184 PolarHBondContact O-N 3.18Å
181F66Low55.4Low25 Ų2598.1 Ų98.111%0.1149%0.487CS..Hα-helixtrans-70.3-36.4175.3-175.7-94.4000113F177 V178 K179 L214 V218 L219 A312F177-F181 WeakPolarHBondContact O-CB 3.49Å; F177-F181 PolarHBondContact O-N 3.12Å; V178-F181 PolarHBondContact O-N 2.79Å; K179-F181 PolarHBondContact O-N 3.2Å; F181-L214 HydrophobicContact CD1-CD2 4.24Å; F181-L214 HydrophobicContact CE1-CD2 4Å; F181-V218 HydrophobicContact CE1-CG1 3.7Å; F181-V218 HydrophobicContact CZ-CG1 3.83Å; F181-L219 HydrophobicContact CD1-CD1 3.89Å; F181-L219 HydrophobicContact CE1-CD1 4.29Å; F181-L219 HydrophobicContact CG-CD1 4.31Å; F181-A312 HydrophobicContact CD2-CB 4.43Å
182Q57.4Low53.3Low80 Ų80101.1 Ų101.137%0.37451%0.507SS..Hα-helixtrans-82-29.4178.4-73174.7-0.300113.1V178 K179 L214V178-Q182 HydrophobicContact CG1-CG 4.38Å; V178-Q182 VanDerWaalsContact O-CB 3.3Å; V178-Q182 WeakPolarHBondContact O-CB 3.32Å; V178-Q182 WeakPolarHBondContact O-CG 3.42Å; V178-Q182 PolarHBondContact O-N 3.46Å; K179-Q182 CarbonylContact O-C 3.54Å; K179-Q182 PolarHBondContact O-N 3.22Å; Q182-L214 HydrophobicContact CG-CD1 4.4Å; Q182-L214 HydrophobicContact CG-CD2 4.21Å
183D51.2Low50.8Low133 Ų13398.9 Ų98.971%0.71151%0.512SS*.Hα-helixtrans-85-20.9-179.4-157.140.9000111K179 M185K179-D183 WeakPolarHBondContact O-CA 3.48Å; K179-D183 WeakPolarHBondContact O-CB 3.49Å; K179-D183 PolarHBondContact O-N 2.97Å; D183-M185 PolarHBondContact O-N 3.17Å
184Y53.1Low48.8Very low66 Ų66102.4 Ų102.426%0.25954%0.54SS..  trans-77.466.8168-150.5-96.1000111.2D180 H289 F296 P311 A312D180-Y184 VanDerWaalsContact O-CB 3.23Å; D180-Y184 WeakPolarHBondContact O-CB 3.3Å; D180-Y184 PolarHBondContact O-N 3.18Å; Y184-H289 AromaticContact CE2-CE1 3.66Å; Y184-F296 PolarHBondContact OH-O 3.04Å; Y184-P311 HydrophobicContact CE1-CB 4.42Å; Y184-A312 WeakPolarHBondContact CD1-O 3.37Å
185M40.3Very low46.9Very low154 Ų154105.5 Ų105.576%0.75957%0.566SS**  trans-85.2132.3157.2-87.6-71.3-6700108.3D183D183-M185 PolarHBondContact O-N 3.17Å
186E38.9Very low45Very low107 Ų107106.7 Ų106.750%0.558%0.578SS.*  trans-37.3127.1-176.2-72.5176.5132.900112.6E188 W314E186-E188 PolarHBondContact O-N 3.04Å; E186-W314 PolarHBondContact OE1-NE1 2.83Å
187P31.8Very low43.4Very low73 Ų73112.9 Ų112.947%0.47460%0.598SS.*  trans-59.3107.1154.3-15.629.2000106.9E189P187-E189 PolarHBondContact O-N 3.25Å
188E26.6Very low41.7Very low186 Ų186124.1 Ų124.187%0.86964%0.64SS**  trans-64.281.3171.9-71.7-153.7152.300110.1E186 G190E186-E188 PolarHBondContact O-N 3.04Å; E188-G190 VanDerWaalsContact C-N 3.29Å; E188-G190 PolarHBondContact O-N 3.28Å
189E28.1Very low39.8Very low137 Ų137126 Ų12664%0.6467%0.666SS**  trans-83.381.2162.9-94.1-105.7134.500108P187P187-E189 PolarHBondContact O-N 3.25Å
190G27.6Very low38.1Very low64 Ų64124.9 Ų124.966%0.6667%0.673SS**  trans-16022.7-177.500000115.1E188E188-G190 VanDerWaalsContact C-N 3.29Å; E188-G190 PolarHBondContact O-N 3.28Å
191C26.6Very low36.5Very low122 Ų122128 Ų12882%0.82469%0.689SS**  trans-157.652.3168.1-98.70000113.2G193C191-G193 PolarHBondContact O-N 3.36Å
192Q29.4Very low35Very low188 Ų188133 Ų13388%0.87972%0.721SS**  trans-7781.8151.3-69.8-163.124.600108.2
193G26.3Very low33.7Very low60 Ų60135.1 Ų135.162%0.61975%0.745SS**  trans-167.145.7-172.200000114.7C191C191-G193 PolarHBondContact O-N 3.36Å
194S27Very low32.8Very low106 Ų106132 Ų13274%0.74174%0.744SS**  trans150114.8144.458.20000112.2Q196S194-Q196 PolarHBondContact O-N 3.24Å; S194-Q196 VanDerWaalsContact O-N 3.13Å
195P29.7Very low31.7Very low134 Ų134133.6 Ų133.687%0.8777%0.765SS**  trans-88.567.6178.236-32000110
196Q34.2Very low31.2Very low183 Ų183134.1 Ų134.186%0.85577%0.771SS**  trans-163.765175.3-142172.3-31.900116.5S194S194-Q196 PolarHBondContact O-N 3.24Å; S194-Q196 VanDerWaalsContact O-N 3.13Å
197R38.8Very low31Very low251 Ų251138.1 Ų138.195%0.94779%0.79SS**  trans-145.799.2149.9-106.1-174.1-166.9-165.74.4111.3
198R36.7Very low31Very low260 Ų260142.7 Ų142.798%0.98180%0.804SS**  trans-68.2138.5162.8-67.2-179.7-153170.36.4109.8
199G29.3Very low31.2Very low71 Ų71141.2 Ų141.273%0.73280%0.803SS**  trans-163.1122.2155.200000108.1
200P34.7Very low31.2Very low119 Ų119140.2 Ų140.277%0.77381%0.806SS**  trans-106.6148.4-15430.1-15.2000115.8
201L33Very low31.6Very low170 Ų170140.4 Ų140.489%0.8980%0.801SS**  trans31.4102.7144.9-58.5168.6000118.9
202T35.1Very low32.3Very low129 Ų129141.3 Ų141.379%0.79180%0.797SS**  trans-152.6106.3145.854.20000111.5
203S29.6Very low33Very low124 Ų124138.2 Ų138.287%0.86779%0.793SS**  trans34.1119.9130.949.50000121
204G31.6Very low34.1Very low67 Ų67138.2 Ų138.269%0.69178%0.779SS**  trans155.591.1160.800000110.6
205S30.4Very low35.1Very low100 Ų100135 Ų13570%0.69976%0.762SS**  77.2110.5104.463.30000113.8E207S205-E207 PolarHBondContact O-N 3.09Å; S205-E207 VanDerWaalsContact O-N 3.17Å
206D30.6Very low36.1Very low165 Ų165136.1 Ų136.188%0.88276%0.761SS**  trans34.671.2139.7-55.5-38.6000116.4
207E33.9Very low37.1Very low192 Ų192131.2 Ų131.290%0.89774%0.741SS**  trans-96.391.8151.8-69.4-164.9161.200106.8S205 N209S205-E207 PolarHBondContact O-N 3.09Å; S205-E207 VanDerWaalsContact O-N 3.17Å; E207-N209 PolarHBondContact O-N 2.83Å
208E31.5Very low38.2Very low168 Ų168120.5 Ų120.579%0.78570%0.703SS**  trans-33.3133.9153.3-80.3176.5122.200109.1V210E208-V210 PolarHBondContact O-N 3.09Å
209N30.5Very low39.3Very low155 Ų155108.7 Ų108.783%0.82966%0.659SS**  trans-47.789.3154.1-72.9-65.6000108.3E207 A211E207-N209 PolarHBondContact O-N 2.83Å; N209-A211 PolarHBondContact O-N 2.82Å
210V29.1Very low40.6Very low117 Ų117108.8 Ų108.871%0.70965%0.645SS**  trans-69.682.9169.1179.20000104.6E208 L212E208-V210 PolarHBondContact O-N 3.09Å; V210-L212 PolarHBondContact O-N 2.83Å
211A36.4Very low41.8Very low68 Ų68106.4 Ų106.456%0.56262%0.624SS**  trans-58.1102.917300000106.9N209N209-A211 PolarHBondContact O-N 2.82Å
212L41Very low43.2Very low141 Ų141100.2 Ų100.274%0.73859%0.592SS**PPolyproline II helixtrans-56.9131.6173.1-69171.4000107.3V210 L214V210-L212 PolarHBondContact O-N 2.83Å; L212-L214 PolarHBondContact O-N 3.38Å
213P42.9Very low44.6Very low123 Ų12395 Ų9580%0.79956%0.559SS**PPolyproline II helixtrans-58.2120.9178.323.7-31.6000107.8G215P213-G215 PolarHBondContact O-N 2.9Å
214L50.2Low46.4Very low60 Ų6089.5 Ų89.531%0.31452%0.522SS..PPolyproline II helixtrans-50.2133.3171.5-67.5167.1000108F181 Q182 L212 V218 L219F181-L214 HydrophobicContact CD1-CD2 4.24Å; F181-L214 HydrophobicContact CE1-CD2 4Å; Q182-L214 HydrophobicContact CG-CD1 4.4Å; Q182-L214 HydrophobicContact CG-CD2 4.21Å; L212-L214 PolarHBondContact O-N 3.38Å; L214-V218 HydrophobicContact CD2-CG1 4.41Å; L214-L219 HydrophobicContact CD1-CD1 3.88Å
215G48.6Very low48.5Very low38 Ų3886.9 Ų86.939%0.39249%0.492SS..PPolyproline II helixtrans-54.4144.117700000110.5P213 N217 V218P213-G215 PolarHBondContact O-N 2.9Å; G215-N217 PolarHBondContact O-N 3.33Å; G215-V218 PolarHBondContact O-N 3.15Å
216D49.5Very low51Low158 Ų15883.6 Ų83.685%0.84547%0.468SS*.THydrogen-bonded Turntrans-57.8-8-168.7-67.1-33.7000115.2
217N56.2Low53.7Low80 Ų8075.8 Ų75.843%0.42843%0.427SS..THydrogen-bonded Turntrans-114.78.1176.3-33.4-75.5000114.9G215 E317G215-N217 PolarHBondContact O-N 3.33Å; N217-E317 WeakPolarHBondContact CB-OE1 3.29Å; N217-E317 VanDerWaalsContact ND2-CD 3.34Å; N217-E317 PolarHBondContact ND2-OE1 2.95Å; N217-E317 PolarHBondContact ND2-OE2 3.38Å; N217-E317 VanDerWaalsContact ND2-OE2 3.17Å
218V61Low56.3Low25 Ų2566.7 Ų66.715%0.15238%0.384CS..THydrogen-bonded Turntrans-91130.4174.2-173.20000108.1F181 L214 G215 L263F181-V218 HydrophobicContact CE1-CG1 3.7Å; F181-V218 HydrophobicContact CZ-CG1 3.83Å; L214-V218 HydrophobicContact CD2-CG1 4.41Å; G215-V218 PolarHBondContact O-N 3.15Å; V218-L263 HydrophobicContact CB-CD1 4.4Å; V218-L263 HydrophobicContact CB-CG 4.47Å; V218-L263 HydrophobicContact CG1-CD1 3.85Å; V218-L263 HydrophobicContact CG1-CG 4.33Å; V218-L263 HydrophobicContact CG2-CD1 3.86Å; V218-L263 HydrophobicContact CG2-CD2 4.03Å; V218-L263 HydrophobicContact CG2-CG 3.93Å
219L60Low59.1Low13 Ų1358.7 Ų58.77%0.06835%0.347CS..THydrogen-bonded Turntrans66.636.7178.1-66.3176000115.2F177 V178 F181 L214 H221 N222 L263 Q264F177-L219 HydrophobicContact CD1-CD2 4.5Å; F177-L219 HydrophobicContact CE1-CD2 3.96Å; V178-L219 HydrophobicContact CG2-CD1 4.14Å; F181-L219 HydrophobicContact CD1-CD1 3.89Å; F181-L219 HydrophobicContact CE1-CD1 4.29Å; F181-L219 HydrophobicContact CG-CD1 4.31Å; L214-L219 HydrophobicContact CD1-CD1 3.88Å; L219-H221 VanDerWaalsContact C-N 3.34Å; L219-N222 VanDerWaalsContact CA-OD1 3.3Å; L219-N222 WeakPolarHBondContact CA-OD1 3.39Å; L219-N222 WeakPolarHBondContact CB-OD1 3.43Å; L219-N222 WeakPolarHBondContact CD2-OD1 3.21Å; L219-N222 PolarHBondContact O-ND2 2.87Å; L219-N222 VanDerWaalsContact O-ND2 3.09Å; L219-N222 PolarHBondContact O-OD1 2.95Å; L219-N222 VanDerWaalsContact O-OD1 3.06Å; L219-L263 PolarHBondContact N-O 2.9Å; L219-Q264 CarbonylContact C-O 3.56Å; L219-Q264 WeakPolarHBondContact CA-O 3.5Å
220T57.3Low61.9Low72 Ų7251.3 Ų51.344%0.44231%0.307SS..THydrogen-bonded Turntrans-73.9-23.9177.157.10000113.5Q264T220-Q264 PolarHBondContact N-O 3.18Å
221H59.2Low64.8Low70 Ų7045.8 Ų45.832%0.32427%0.274SS..THydrogen-bonded Turntrans-119.159.4178.4-71.9-56.5000111.3L219 L223 Q264 Y265L219-H221 VanDerWaalsContact C-N 3.34Å; H221-L223 PolarHBondContact O-N 3.02Å; H221-L223 VanDerWaalsContact O-N 3.14Å; H221-Q264 PolarHBondContact N-O 3.48Å; H221-Y265 HydrophobicContact CB-CD1 3.71Å; H221-Y265 HydrophobicContact CB-CE1 3.46Å; H221-Y265 VanDerWaalsContact CB-CE1 3.46Å; H221-Y265 HydrophobicContact CB-CG 4.49Å
222N63.5Low67.3Low39 Ų3942.7 Ų42.721%0.20925%0.248CC..  trans-69.7109.6176-64.8-21.1000111.1E174 L219E174-N222 HydrophobicContact CG-CB 4.32Å; E174-N222 PolarHBondContact OE1-ND2 3.5Å; L219-N222 VanDerWaalsContact CA-OD1 3.3Å; L219-N222 WeakPolarHBondContact CA-OD1 3.39Å; L219-N222 WeakPolarHBondContact CB-OD1 3.43Å; L219-N222 WeakPolarHBondContact CD2-OD1 3.21Å; L219-N222 PolarHBondContact O-ND2 2.87Å; L219-N222 VanDerWaalsContact O-ND2 3.09Å; L219-N222 PolarHBondContact O-OD1 2.95Å; L219-N222 VanDerWaalsContact O-OD1 3.06Å
223L64.7Low69.4Low20 Ų2039 Ų3911%0.10523%0.226CC..  trans-93.6-1.5174.3-59.3178.2000112.2L156 R157 I160 H221 I225 Y265L156-L223 HydrophobicContact CB-CD1 4.46Å; L156-L223 HydrophobicContact CD2-CD1 3.51Å; L156-L223 HydrophobicContact CG-CD1 3.92Å; R157-L223 HydrophobicContact CG-CD2 3.51Å; I160-L223 HydrophobicContact CD1-CB 3.7Å; I160-L223 HydrophobicContact CD1-CD1 4.31Å; I160-L223 HydrophobicContact CD1-CD2 3.96Å; I160-L223 HydrophobicContact CD1-CG 4.18Å; H221-L223 PolarHBondContact O-N 3.02Å; H221-L223 VanDerWaalsContact O-N 3.14Å; L223-I225 PolarHBondContact O-N 2.77Å; L223-Y265 HydrophobicContact CD1-CD1 4.47Å; L223-Y265 HydrophobicContact CD1-CE1 4.47Å
224G66.2Low71.3Confident9 Ų933.3 Ų33.39%0.09319%0.189CC..SBendtrans67.711.2-177.600000114.2
225I76.1Confident72.8Confident11 Ų1132.6 Ų32.66%0.05619%0.185CC..SBendtrans-124.1135.2-177.3-58.5170.7000108.4L128 T131 V133 I160 L223 V227L128-I225 HydrophobicContact CD2-CD1 4.21Å; T131-I225 VanDerWaalsContact O-CG2 3.31Å; T131-I225 WeakPolarHBondContact O-CG2 3.47Å; V133-I225 HydrophobicContact CG2-CG2 3.81Å; I160-I225 HydrophobicContact CD1-CD1 4Å; I160-I225 HydrophobicContact CG1-CD1 4.31Å; L223-I225 PolarHBondContact O-N 2.77Å; I225-V227 WeakPolarHBondContact O-CG2 3.47Å; I225-V227 PolarHBondContact O-N 2.76Å
226P82.5Confident74.2Confident31 Ų3131.4 Ų31.420%0.20117%0.172CC..  trans-59116.9172.2-23.233000112V133 F177 K290V133-P226 PolarHBondContact N-O 2.89Å; F177-P226 HydrophobicContact CD2-CG 4.35Å; F177-P226 HydrophobicContact CE2-CB 4.2Å; F177-P226 HydrophobicContact CE2-CG 4.26Å; P226-K290 HydrophobicContact CB-CD 4.47Å
227V86.6Confident75.6Confident2 Ų224.3 Ų24.31%0.01213%0.134CC..EExtended strand (participates in β ladder)trans-101.9142.6175.9-175.50000110.3V133 F135 I225 A267V133-V227 HydrophobicContact CB-CG2 4.5Å; V133-V227 CarbonylContact O-C 3.56Å; V133-V227 WeakPolarHBondContact O-CA 3.19Å; F135-V227 HydrophobicContact CD2-CG1 3.94Å; F135-V227 HydrophobicContact CE2-CG1 3.85Å; F135-V227 HydrophobicContact CZ-CG1 4.46Å; I225-V227 WeakPolarHBondContact O-CG2 3.47Å; I225-V227 PolarHBondContact O-N 2.76Å; V227-A267 HydrophobicContact CB-CB 3.84Å; V227-A267 HydrophobicContact CG1-CB 3.81Å; V227-A267 VanDerWaalsContact O-CA 3.27Å; V227-A267 WeakPolarHBondContact O-CA 3.26Å; V227-A267 WeakPolarHBondContact O-CB 3.27Å
228L88.9Confident76.6Confident0 Ų023 Ų230%013%0.131CC..EExtended strand (participates in β ladder)trans-132127.6172.9175.962000108.6L132 V133 I134 F135 V230 A268 I270 L283 Y286 I287L132-L228 HydrophobicContact CD2-CB 4.24Å; V133-L228 PolarHBondContact O-N 2.83Å; I134-L228 CarbonylContact C-O 3.46Å; I134-L228 VanDerWaalsContact CA-O 3.26Å; I134-L228 WeakPolarHBondContact CA-O 3.41Å; I134-L228 HydrophobicContact CD1-CD2 4.35Å; I134-L228 HydrophobicContact CG1-CB 4.4Å; I134-L228 HydrophobicContact CG1-CD2 4.3Å; F135-L228 PolarHBondContact N-O 2.68Å; L228-V230 HydrophobicContact CD2-CG2 4.05Å; L228-V230 HydrophobicContact CG-CG2 3.91Å; L228-A268 HydrophobicContact CD1-CB 3.67Å; L228-I270 HydrophobicContact CD1-CD1 3.73Å; L228-I270 HydrophobicContact CD1-CG1 3.85Å; L228-I270 HydrophobicContact CD2-CD1 4.3Å; L228-L283 HydrophobicContact CD2-CG 4.48Å; L228-Y286 HydrophobicContact CD1-CD1 4.09Å; L228-Y286 HydrophobicContact CD1-CE1 3.82Å; L228-Y286 HydrophobicContact CD2-CD1 4.26Å; L228-I287 HydrophobicContact CD2-CD1 4.48Å; L228-I287 HydrophobicContact CD2-CG1 4.11Å
229V90.4Very high77.6Confident0 Ų025 Ų250%014%0.143CC..EExtended strand (participates in β ladder)trans-102.6123.3174.5-176.70000108.4F135 L149 F261 A267 A268 L269 I270F135-V229 HydrophobicContact CB-CG2 4.42Å; F135-V229 HydrophobicContact CD2-CG2 4.25Å; L149-V229 HydrophobicContact CD1-CG1 4.45Å; L149-V229 HydrophobicContact CD2-CG1 4.05Å; V229-F261 HydrophobicContact CG2-CD1 4.44Å; V229-F261 HydrophobicContact CG2-CE1 4.39Å; V229-A267 HydrophobicContact CG2-CB 4.11Å; V229-A268 PolarHBondContact N-O 3.06Å; V229-L269 HydrophobicContact CB-CD1 3.94Å; V229-L269 HydrophobicContact CG1-CD1 3.74Å; V229-L269 CarbonylContact O-C 3.6Å; V229-L269 WeakPolarHBondContact O-CA 3.3Å; V229-I270 PolarHBondContact O-N 2.89Å
230V90.4Very high78.4Confident0 Ų025.1 Ų25.10%014%0.144CC..EExtended strand (participates in β ladder)trans-118.5119.1-180-178.40000108.6L70 I134 F135 V136 A137 L228 T232 I270 T272 L283L70-V230 HydrophobicContact CD2-CG1 4.09Å; I134-V230 HydrophobicContact CG2-CB 4.17Å; I134-V230 HydrophobicContact CG2-CG2 3.58Å; F135-V230 PolarHBondContact O-N 3.02Å; V136-V230 CarbonylContact C-O 3.54Å; V136-V230 VanDerWaalsContact CA-O 3.31Å; V136-V230 WeakPolarHBondContact CA-O 3.46Å; A137-V230 PolarHBondContact N-O 2.61Å; L228-V230 HydrophobicContact CD2-CG2 4.05Å; L228-V230 HydrophobicContact CG-CG2 3.91Å; V230-T232 HydrophobicContact CG1-CG2 4.39Å; V230-I270 CarbonylContact C-O 3.55Å; V230-I270 VanDerWaalsContact CA-O 3.27Å; V230-I270 WeakPolarHBondContact CA-O 3.39Å; V230-T272 HydrophobicContact CG1-CG2 3.49Å; V230-T272 VanDerWaalsContact CG1-CG2 3.49Å; V230-L283 HydrophobicContact CB-CD1 4.43Å; V230-L283 HydrophobicContact CG1-CD1 3.87Å; V230-L283 HydrophobicContact CG2-CD1 3.62Å
231C89.8Confident79.5Confident1 Ų125.6 Ų25.61%0.00714%0.141CC..EExtended strand (participates in β ladder)trans-95.5119.4171-61.10000109A137 M139 I270 Y271 T272A137-C231 CarbonylContact O-C 3.56Å; A137-C231 WeakPolarHBondContact O-CA 3.28Å; M139-C231 HydrophobicContact CE-CB 3.84Å; M139-C231 HydrophobicContact CG-CB 4.11Å; C231-I270 PolarHBondContact N-O 3.16Å; C231-Y271 HydrophobicContact CB-CD1 3.48Å; C231-Y271 VanDerWaalsContact CB-CD1 3.48Å; C231-Y271 HydrophobicContact CB-CE1 3.7Å; C231-Y271 HydrophobicContact CB-CG 4.26Å; C231-Y271 VanDerWaalsContact SG-CE1 3.52Å; C231-T272 PolarHBondContact O-N 3.22Å
232T88.6Confident80.5Confident4 Ų430.4 Ų30.43%0.02516%0.161CC..EExtended strand (participates in β ladder)trans-95.6163.8176.255.70000110.9S65 L70 V136 A137 M139 V230 C234 T272S65-T232 WeakPolarHBondContact O-CB 3.24Å; S65-T232 PolarHBondContact O-OG1 3.38Å; L70-T232 HydrophobicContact CD2-CG2 4.35Å; V136-T232 HydrophobicContact CG1-CG2 3.61Å; A137-T232 PolarHBondContact O-N 2.75Å; A137-T232 PolarHBondContact O-OG1 3.09Å; M139-T232 WeakPolarHBondContact CB-O 3.19Å; M139-T232 PolarHBondContact N-O 2.85Å; V230-T232 HydrophobicContact CG1-CG2 4.39Å; T232-C234 PolarHBondContact O-N 2.95Å; T232-T272 CarbonylContact C-O 3.51Å; T232-T272 WeakPolarHBondContact CA-O 3.35Å; T232-T272 HydrophobicContact CG2-CG2 3.8Å
233K84.8Confident81Confident64 Ų6434.5 Ų34.528%0.27818%0.179SC..  trans61.538.5177.2-48.8-167.6-160.3154.60114.2G64 D138 M139 D235 A236 T272G64-K233 PolarHBondContact O-NZ 3.18Å; D138-K233 VanDerWaalsContact OD1-CD 3.26Å; D138-K233 WeakPolarHBondContact OD1-CD 3.33Å; D138-K233 IonicContact OD1-NZ 2.97Å; D138-K233 WeakPolarHBondContact OD2-CE 3.31Å; D138-K233 IonicContact OD2-NZ 3.86Å; D138-K233 PolarHBondContact OD2-NZ 3.41Å; M139-K233 WeakPolarHBondContact CB-O 3.5Å; K233-D235 VanDerWaalsContact C-OD1 3.25Å; K233-D235 VanDerWaalsContact CA-OD1 3.24Å; K233-D235 WeakPolarHBondContact CA-OD1 3.26Å; K233-D235 PolarHBondContact O-N 2.8Å; K233-A236 WeakPolarHBondContact O-CB 3.48Å; K233-A236 PolarHBondContact O-N 3.07Å; K233-T272 PolarHBondContact N-O 2.92Å
234C82.5Confident80.9Confident2 Ų237 Ų371%0.01419%0.19CC..G310 helixtrans-63.1-17.7175-58.40000112.9T232 A236 V237 Y271 D306T232-C234 PolarHBondContact O-N 2.95Å; C234-A236 PolarHBondContact O-N 3.49Å; C234-A236 VanDerWaalsContact O-N 3.15Å; C234-V237 WeakPolarHBondContact O-CB 3.49Å; C234-V237 VanDerWaalsContact O-CG2 3.23Å; C234-V237 WeakPolarHBondContact O-CG2 3.4Å; C234-V237 PolarHBondContact O-N 2.81Å; C234-Y271 VanDerWaalsContact SG-CB 3.53Å; C234-D306 VanDerWaalsContact CB-O 3.26Å; C234-D306 WeakPolarHBondContact CB-O 3.22Å
235D82.2Confident80.8Confident45 Ų4543 Ų4324%0.24122%0.22CC..G310 helixtrans-63.6-14168.864.2-53.9000113.9K233 K275K233-D235 VanDerWaalsContact C-OD1 3.25Å; K233-D235 VanDerWaalsContact CA-OD1 3.24Å; K233-D235 WeakPolarHBondContact CA-OD1 3.26Å; K233-D235 PolarHBondContact O-N 2.8Å; D235-K275 HydrophobicContact CB-CD 4.06Å; D235-K275 WeakPolarHBondContact OD2-CD 3.32Å; D235-K275 WeakPolarHBondContact OD2-CE 3.27Å; D235-K275 IonicContact OD2-NZ 3.18Å; D235-K275 PolarHBondContact OD2-NZ 2.9Å
236A77.3Confident80.4Confident14 Ų1443.7 Ų43.712%0.11622%0.222CC..G310 helixtrans-72.3-16.6171.600000112.5K233 C234 S238 V239 L240K233-A236 WeakPolarHBondContact O-CB 3.48Å; K233-A236 PolarHBondContact O-N 3.07Å; C234-A236 PolarHBondContact O-N 3.49Å; C234-A236 VanDerWaalsContact O-N 3.15Å; A236-S238 VanDerWaalsContact C-N 3.34Å; A236-S238 PolarHBondContact O-N 2.73Å; A236-V239 CarbonylContact O-C 3.5Å; A236-V239 WeakPolarHBondContact O-CA 3.33Å; A236-V239 WeakPolarHBondContact O-CB 2.93Å; A236-V239 PolarHBondContact O-N 2.59Å; A236-L240 WeakPolarHBondContact O-CB 3.34Å; A236-L240 VanDerWaalsContact O-CG 3.23Å; A236-L240 WeakPolarHBondContact O-CG 3.26Å; A236-L240 PolarHBondContact O-N 2.99Å
237V78.7Confident79.8Confident9 Ų949.4 Ų49.46%0.05524%0.24CC..Hα-helixtrans-57.3-47.6179.5174.40000110.7C234 V239 L240 E241 L251C234-V237 WeakPolarHBondContact O-CB 3.49Å; C234-V237 VanDerWaalsContact O-CG2 3.23Å; C234-V237 WeakPolarHBondContact O-CG2 3.4Å; C234-V237 PolarHBondContact O-N 2.81Å; V237-V239 PolarHBondContact O-N 3.03Å; V237-L240 WeakPolarHBondContact O-CB 3.33Å; V237-L240 PolarHBondContact O-N 3.19Å; V237-L240 VanDerWaalsContact O-N 3.16Å; V237-E241 WeakPolarHBondContact O-CG 3.45Å; V237-E241 PolarHBondContact O-N 2.74Å; V237-L251 HydrophobicContact CG1-CD1 3.6Å; V237-L251 HydrophobicContact CG1-CD2 3.96Å; V237-L251 HydrophobicContact CG1-CG 4.45Å; V237-L251 HydrophobicContact CG2-CD2 4.4Å
238S78.6Confident79.3Confident51 Ų5153.7 Ų53.736%0.35726%0.263SS..Hα-helixtrans-66.7-22.3176.4-42.60000114.1A236 K242A236-S238 VanDerWaalsContact C-N 3.34Å; A236-S238 PolarHBondContact O-N 2.73Å; S238-K242 WeakPolarHBondContact O-CD 3.32Å; S238-K242 WeakPolarHBondContact O-CG 3.4Å
239V82.1Confident78.8Confident67 Ų6757 Ų5741%0.40628%0.278SS..Hα-helixtrans-79.4-41.9174.2178.50000109.7A236 V237 K242 E243A236-V239 CarbonylContact O-C 3.5Å; A236-V239 WeakPolarHBondContact O-CA 3.33Å; A236-V239 WeakPolarHBondContact O-CB 2.93Å; A236-V239 PolarHBondContact O-N 2.59Å; V237-V239 PolarHBondContact O-N 3.03Å; V239-K242 PolarHBondContact O-N 3.48Å; V239-K242 VanDerWaalsContact O-N 3.12Å; V239-E243 HydrophobicContact CG1-CG 4.06Å; V239-E243 WeakPolarHBondContact O-CB 3.29Å; V239-E243 WeakPolarHBondContact O-CG 3.22Å; V239-E243 PolarHBondContact O-N 3.19Å
240L76.6Confident78.1Confident17 Ų1758.8 Ų58.89%0.08929%0.286CS..Hα-helixtrans-62.2-44.2176.6-70.9174.2000110.6M139 P142 A236 V237 K242 E243 H244 Y246M139-L240 VanDerWaalsContact O-CD1 3.31Å; M139-L240 WeakPolarHBondContact O-CD1 3.35Å; P142-L240 HydrophobicContact CG-CD1 4.48Å; A236-L240 WeakPolarHBondContact O-CB 3.34Å; A236-L240 VanDerWaalsContact O-CG 3.23Å; A236-L240 WeakPolarHBondContact O-CG 3.26Å; A236-L240 PolarHBondContact O-N 2.99Å; V237-L240 WeakPolarHBondContact O-CB 3.33Å; V237-L240 PolarHBondContact O-N 3.19Å; V237-L240 VanDerWaalsContact O-N 3.16Å; L240-K242 PolarHBondContact O-N 3.36Å; L240-E243 PolarHBondContact O-N 3.43Å; L240-H244 WeakPolarHBondContact O-CB 3.44Å; L240-H244 PolarHBondContact O-N 3.46Å; L240-Y246 HydrophobicContact CB-CD2 3.57Å; L240-Y246 HydrophobicContact CB-CE2 3.86Å; L240-Y246 HydrophobicContact CD2-CD2 4.42Å; L240-Y246 HydrophobicContact CD2-CE2 3.8Å; L240-Y246 HydrophobicContact CG-CD2 4.46Å; L240-Y246 HydrophobicContact CG-CE2 4.28Å; L240-Y246 WeakPolarHBondContact O-CD2 3.47Å
241E80Confident77.5Confident81 Ų8160 Ų6038%0.37929%0.293SS..Hα-helixtrans-55.5-37.8172.6-73.4175.6170.600112.4V237 D245V237-E241 WeakPolarHBondContact O-CG 3.45Å; V237-E241 PolarHBondContact O-N 2.74Å; E241-D245 WeakPolarHBondContact O-CA 3.43Å; E241-D245 PolarHBondContact O-N 3.43Å
242K79.5Confident77.2Confident172 Ų17261.1 Ų61.175%0.74830%0.299SS*.Hα-helixtrans-82.3-34.4-179.2-72.5175.5-175.8172.60114.3S238 V239 L240S238-K242 WeakPolarHBondContact O-CD 3.32Å; S238-K242 WeakPolarHBondContact O-CG 3.4Å; V239-K242 PolarHBondContact O-N 3.48Å; V239-K242 VanDerWaalsContact O-N 3.12Å; L240-K242 PolarHBondContact O-N 3.36Å
243E74.7Confident76.9Confident124 Ų12461.3 Ų61.358%0.57930%0.299SS*.Hα-helixtrans-89.7-28.7-174.7-70.7-158.9162.300113.1V239 L240V239-E243 HydrophobicContact CG1-CG 4.06Å; V239-E243 WeakPolarHBondContact O-CB 3.29Å; V239-E243 WeakPolarHBondContact O-CG 3.22Å; V239-E243 PolarHBondContact O-N 3.19Å; L240-E243 PolarHBondContact O-N 3.43Å
244H62.3Low76.8Confident73 Ų7359 Ų5934%0.33829%0.29SS..Hα-helixtrans-127.73.4-170.1-66.9-60.8000113.9L240 Y246L240-H244 WeakPolarHBondContact O-CB 3.44Å; L240-H244 PolarHBondContact O-N 3.46Å; H244-Y246 HydrophobicContact CB-CD2 3.45Å; H244-Y246 VanDerWaalsContact CB-CD2 3.45Å; H244-Y246 HydrophobicContact CB-CE2 3.25Å; H244-Y246 HydrophobicContact CB-CG 4.35Å; H244-Y246 AromaticContact CD2-CE2 3.74Å; H244-Y246 AromaticContact CG-CE2 3.71Å; H244-Y246 PolarHBondContact O-N 3.42Å
245D64.4Low76.8Confident135 Ų13559.5 Ų59.572%0.72229%0.292SS*.  trans50.238.7-177.2-63.8-42.6000112.2E241 R247E241-D245 WeakPolarHBondContact O-CA 3.43Å; E241-D245 PolarHBondContact O-N 3.43Å; D245-R247 PolarHBondContact O-N 3.36Å
246Y66.9Low76.9Confident26 Ų2657.7 Ų57.710%0.10228%0.282CS..  trans-60.2116.5175.8-77-73.6000109.2L240 H244 H250 I340L240-Y246 HydrophobicContact CB-CD2 3.57Å; L240-Y246 HydrophobicContact CB-CE2 3.86Å; L240-Y246 HydrophobicContact CD2-CD2 4.42Å; L240-Y246 HydrophobicContact CD2-CE2 3.8Å; L240-Y246 HydrophobicContact CG-CD2 4.46Å; L240-Y246 HydrophobicContact CG-CE2 4.28Å; L240-Y246 WeakPolarHBondContact O-CD2 3.47Å; H244-Y246 HydrophobicContact CB-CD2 3.45Å; H244-Y246 VanDerWaalsContact CB-CD2 3.45Å; H244-Y246 HydrophobicContact CB-CE2 3.25Å; H244-Y246 HydrophobicContact CB-CG 4.35Å; H244-Y246 AromaticContact CD2-CE2 3.74Å; H244-Y246 AromaticContact CG-CE2 3.71Å; H244-Y246 PolarHBondContact O-N 3.42Å; Y246-H250 HydrophobicContact CD1-CB 3.69Å; Y246-H250 AromaticContact CD1-CG 3.68Å; Y246-H250 HydrophobicContact CE1-CB 4.47Å; Y246-I340 HydrophobicContact CE1-CG2 4.42Å
247R70.9Confident77.1Confident150 Ų15057.6 Ų57.657%0.56628%0.28SS*.  trans-69.7155.4168.1-60.8-163-65.7-132.62.9110.5D245 E249 H250D245-R247 PolarHBondContact O-N 3.36Å; R247-E249 HydrophobicContact CB-CB 4.32Å; R247-E249 IonicContact CZ-OE2 3.86Å; R247-E249 VanDerWaalsContact CZ-OE2 3.23Å; R247-E249 IonicContact NE-OE2 3.09Å; R247-E249 PolarHBondContact NE-OE2 2.99Å; R247-E249 IonicContact NH2-OE2 3.23Å; R247-E249 PolarHBondContact NH2-OE2 2.96Å; R247-E249 PolarHBondContact O-N 3.25Å; R247-H250 PolarHBondContact N-ND1 2.74Å; R247-H250 VanDerWaalsContact N-ND1 3.14Å; R247-H250 PolarHBondContact O-N 3.17Å; R247-H250 PolarHBondContact O-ND1 3.49Å; R247-H250 VanDerWaalsContact O-ND1 3.16Å
248D75.5Confident77.5Confident93 Ų9357.1 Ų57.150%0.49728%0.277SS..Hα-helixtrans-43.8-35.4168.1-78.8-50.4000112.9H250 L251 D252 K305D248-H250 VanDerWaalsContact C-N 3.27Å; D248-H250 PolarHBondContact O-N 2.92Å; D248-L251 PolarHBondContact O-N 3.27Å; D248-L251 VanDerWaalsContact O-N 3.16Å; D248-D252 VanDerWaalsContact O-CG 3.24Å; D248-D252 PolarHBondContact O-N 2.99Å; D248-K305 VanDerWaalsContact CG-NZ 3.31Å; D248-K305 IonicContact OD1-NZ 3.46Å; D248-K305 PolarHBondContact OD1-NZ 3.08Å
249E78.1Confident77.9Confident68 Ų6854.9 Ų54.932%0.31826%0.261SS..Hα-helixtrans-53.8-39.5176-66.7177167.600113.4R247 F253 F327R247-E249 HydrophobicContact CB-CB 4.32Å; R247-E249 IonicContact CZ-OE2 3.86Å; R247-E249 VanDerWaalsContact CZ-OE2 3.23Å; R247-E249 IonicContact NE-OE2 3.09Å; R247-E249 PolarHBondContact NE-OE2 2.99Å; R247-E249 IonicContact NH2-OE2 3.23Å; R247-E249 PolarHBondContact NH2-OE2 2.96Å; R247-E249 PolarHBondContact O-N 3.25Å; E249-F253 VanDerWaalsContact O-CB 3.31Å; E249-F253 WeakPolarHBondContact O-CB 3.48Å; E249-F253 PolarHBondContact O-N 2.9Å; E249-F327 HydrophobicContact CB-CD1 4.24Å; E249-F327 HydrophobicContact CB-CE1 3.75Å; E249-F327 HydrophobicContact CG-CD1 4.38Å; E249-F327 HydrophobicContact CG-CE1 4.24Å; E249-F327 WeakPolarHBondContact O-CE1 3.36Å; E249-F327 VanDerWaalsContact O-CZ 3.23Å; E249-F327 WeakPolarHBondContact O-CZ 3.29Å
250H76.8Confident78Confident38 Ų3855.7 Ų55.718%0.17626%0.256CS..Hα-helixtrans-73-36-178.3-55.887.1000111.6Y246 R247 D248 F253 I254Y246-H250 HydrophobicContact CD1-CB 3.69Å; Y246-H250 AromaticContact CD1-CG 3.68Å; Y246-H250 HydrophobicContact CE1-CB 4.47Å; R247-H250 PolarHBondContact N-ND1 2.74Å; R247-H250 VanDerWaalsContact N-ND1 3.14Å; R247-H250 PolarHBondContact O-N 3.17Å; R247-H250 PolarHBondContact O-ND1 3.49Å; R247-H250 VanDerWaalsContact O-ND1 3.16Å; D248-H250 VanDerWaalsContact C-N 3.27Å; D248-H250 PolarHBondContact O-N 2.92Å; H250-F253 PolarHBondContact O-N 3.39Å; H250-I254 WeakPolarHBondContact O-CD1 3.48Å; H250-I254 VanDerWaalsContact O-CG1 3.25Å; H250-I254 WeakPolarHBondContact O-CG1 3.44Å; H250-I254 PolarHBondContact O-N 3.27Å
251L77.9Confident78.4Confident27 Ų2755.2 Ų55.214%0.14125%0.254CS..Hα-helixtrans-69-42.9177.3-61.8177.6000110.3V237 D248 F253 I254 Q255 K305V237-L251 HydrophobicContact CG1-CD1 3.6Å; V237-L251 HydrophobicContact CG1-CD2 3.96Å; V237-L251 HydrophobicContact CG1-CG 4.45Å; V237-L251 HydrophobicContact CG2-CD2 4.4Å; D248-L251 PolarHBondContact O-N 3.27Å; D248-L251 VanDerWaalsContact O-N 3.16Å; L251-F253 VanDerWaalsContact C-N 3.27Å; L251-F253 PolarHBondContact O-N 2.71Å; L251-I254 PolarHBondContact O-N 2.91Å; L251-Q255 VanDerWaalsContact O-CB 3.25Å; L251-Q255 WeakPolarHBondContact O-CB 3.19Å; L251-Q255 PolarHBondContact O-N 3.43Å; L251-K305 HydrophobicContact CD1-CD 4.45Å
252D83.2Confident78.6Confident24 Ų2451.6 Ų51.613%0.12824%0.237CC..Hα-helixtrans-65.3-34.5176.5-62.7-4.5000110.4D248 S256 K305 F327D248-D252 VanDerWaalsContact O-CG 3.24Å; D248-D252 PolarHBondContact O-N 2.99Å; D252-S256 VanDerWaalsContact O-CB 3.29Å; D252-S256 WeakPolarHBondContact O-CB 3.18Å; D252-S256 PolarHBondContact O-N 2.93Å; D252-S256 PolarHBondContact O-OG 3.41Å; D252-S256 VanDerWaalsContact O-OG 3.06Å; D252-K305 IonicContact OD1-NZ 2.68Å; D252-K305 PolarHBondContact OD1-NZ 3.38Å; D252-K305 VanDerWaalsContact OD1-NZ 3.09Å; D252-K305 IonicContact OD2-NZ 2.72Å; D252-F327 HydrophobicContact CB-CE1 4.43Å; D252-F327 HydrophobicContact CB-CZ 3.77Å
253F81.7Confident78.8Confident8 Ų843.9 Ų43.94%0.03520%0.204CC..Hα-helixtrans-66.4-49.4173.8-176.4-93.7000110.7E249 H250 L251 Q255 S256 H257 F327 V330 Y336E249-F253 VanDerWaalsContact O-CB 3.31Å; E249-F253 WeakPolarHBondContact O-CB 3.48Å; E249-F253 PolarHBondContact O-N 2.9Å; H250-F253 PolarHBondContact O-N 3.39Å; L251-F253 VanDerWaalsContact C-N 3.27Å; L251-F253 PolarHBondContact O-N 2.71Å; F253-Q255 VanDerWaalsContact C-N 3.29Å; F253-Q255 PolarHBondContact O-N 3.32Å; F253-S256 PolarHBondContact O-N 2.93Å; F253-S256 PolarHBondContact O-OG 2.89Å; F253-H257 AromaticContact CD1-CE1 3.87Å; F253-H257 AromaticContact CD1-ND1 3.54Å; F253-H257 AromaticContact CD2-CE1 3.41Å; F253-H257 VanDerWaalsContact CD2-CE1 3.41Å; F253-H257 WeakPolarHBondContact CD2-CE1 3.49Å; F253-H257 AromaticContact CD2-ND1 3.76Å; F253-H257 AromaticContact CE1-CE1 3.52Å; F253-H257 AromaticContact CE1-ND1 3.48Å; F253-H257 WeakPolarHBondContact CE1-ND1 3.45Å; F253-H257 AromaticContact CE2-CE1 3.03Å; F253-H257 WeakPolarHBondContact CE2-CE1 3.43Å; F253-H257 AromaticContact CE2-ND1 3.73Å; F253-H257 AromaticContact CE2-NE2 3.97Å; F253-H257 AromaticContact CG-CE1 3.83Å; F253-H257 AromaticContact CG-ND1 3.68Å; F253-H257 AromaticContact CZ-CE1 3.08Å; F253-H257 WeakPolarHBondContact CZ-CE1 3.43Å; F253-H257 AromaticContact CZ-ND1 3.58Å; F253-H257 AromaticContact CZ-NE2 3.81Å; F253-H257 PolarHBondContact O-N 2.81Å; F253-H257 VanDerWaalsContact O-N 3.09Å; F253-H257 PolarHBondContact O-ND1 3.25Å; F253-F327 HydrophobicContact CB-CE2 4.41Å; F253-F327 HydrophobicContact CB-CZ 3.91Å; F253-V330 HydrophobicContact CD2-CG1 3.98Å; F253-V330 HydrophobicContact CE2-CG1 3.51Å; F253-V330 HydrophobicContact CZ-CG1 4.48Å; F253-Y336 HydrophobicContact CD1-CD1 4.47Å; F253-Y336 AromaticContact CE1-CD1 3.6Å; F253-Y336 HydrophobicContact CE1-CD1 3.6Å; F253-Y336 AromaticContact CE1-CE1 3.8Å; F253-Y336 HydrophobicContact CE1-CE1 3.8Å; F253-Y336 HydrophobicContact CE1-CG 4.38Å; F253-Y336 HydrophobicContact CZ-CD1 4.39Å; F253-Y336 HydrophobicContact CZ-CE1 4.46Å
254I83.2Confident79.2Confident16 Ų1640.2 Ų40.28%0.08219%0.187CC..Hα-helixtrans-60.2-43.1176.8-68.2159.8000110.6M139 P142 H250 L251 H257 L258 I340M139-I254 HydrophobicContact CE-CG2 4.3Å; P142-I254 HydrophobicContact CB-CD1 3.65Å; P142-I254 HydrophobicContact CB-CG1 4.4Å; P142-I254 HydrophobicContact CG-CD1 4.16Å; H250-I254 WeakPolarHBondContact O-CD1 3.48Å; H250-I254 VanDerWaalsContact O-CG1 3.25Å; H250-I254 WeakPolarHBondContact O-CG1 3.44Å; H250-I254 PolarHBondContact O-N 3.27Å; L251-I254 PolarHBondContact O-N 2.91Å; I254-H257 PolarHBondContact O-N 3.15Å; I254-L258 HydrophobicContact CG2-CD1 3.79Å; I254-L258 HydrophobicContact CG2-CG 4.35Å; I254-L258 WeakPolarHBondContact O-CB 3.48Å; I254-L258 WeakPolarHBondContact O-CG 3.39Å; I254-L258 PolarHBondContact O-N 3.03Å; I254-I340 HydrophobicContact CD1-CD1 4.05Å; I254-I340 HydrophobicContact CG1-CD1 3.92Å
255Q83Confident80.1Confident12 Ų1237 Ų376%0.05617%0.172CC..Hα-helixtrans-66.2-43.9-179.4-168.1-176.525.800111.6L251 F253 H257 L258 R259 V308L251-Q255 VanDerWaalsContact O-CB 3.25Å; L251-Q255 WeakPolarHBondContact O-CB 3.19Å; L251-Q255 PolarHBondContact O-N 3.43Å; F253-Q255 VanDerWaalsContact C-N 3.29Å; F253-Q255 PolarHBondContact O-N 3.32Å; Q255-H257 VanDerWaalsContact C-N 3.31Å; Q255-H257 PolarHBondContact O-N 2.99Å; Q255-L258 PolarHBondContact O-N 3.19Å; Q255-R259 VanDerWaalsContact O-CB 3.25Å; Q255-R259 WeakPolarHBondContact O-CB 3.4Å; Q255-R259 VanDerWaalsContact O-CG 3.24Å; Q255-R259 WeakPolarHBondContact O-CG 3.25Å; Q255-R259 PolarHBondContact O-N 3.12Å; Q255-V308 VanDerWaalsContact NE2-CG2 3.26Å
256S82.9Confident80.7Confident6 Ų630.6 Ų30.64%0.04214%0.138CC..Hα-helixtrans-61.7-38.917761.80000112.1D252 F253 R260D252-S256 VanDerWaalsContact O-CB 3.29Å; D252-S256 WeakPolarHBondContact O-CB 3.18Å; D252-S256 PolarHBondContact O-N 2.93Å; D252-S256 PolarHBondContact O-OG 3.41Å; D252-S256 VanDerWaalsContact O-OG 3.06Å; F253-S256 PolarHBondContact O-N 2.93Å; F253-S256 PolarHBondContact O-OG 2.89Å; S256-R260 WeakPolarHBondContact O-CB 3.32Å; S256-R260 PolarHBondContact O-N 2.81Å
257H82.9Confident81.5Confident12 Ų1229.7 Ų29.76%0.05614%0.136CC..Hα-helixtrans-71.4-42.3177.2-7795.3000113.4M146 F253 I254 Q255 R259 R260 F261 Y336M146-H257 HydrophobicContact SD-CB 4.19Å; F253-H257 AromaticContact CD1-CE1 3.87Å; F253-H257 AromaticContact CD1-ND1 3.54Å; F253-H257 AromaticContact CD2-CE1 3.41Å; F253-H257 VanDerWaalsContact CD2-CE1 3.41Å; F253-H257 WeakPolarHBondContact CD2-CE1 3.49Å; F253-H257 AromaticContact CD2-ND1 3.76Å; F253-H257 AromaticContact CE1-CE1 3.52Å; F253-H257 AromaticContact CE1-ND1 3.48Å; F253-H257 WeakPolarHBondContact CE1-ND1 3.45Å; F253-H257 AromaticContact CE2-CE1 3.03Å; F253-H257 WeakPolarHBondContact CE2-CE1 3.43Å; F253-H257 AromaticContact CE2-ND1 3.73Å; F253-H257 AromaticContact CE2-NE2 3.97Å; F253-H257 AromaticContact CG-CE1 3.83Å; F253-H257 AromaticContact CG-ND1 3.68Å; F253-H257 AromaticContact CZ-CE1 3.08Å; F253-H257 WeakPolarHBondContact CZ-CE1 3.43Å; F253-H257 AromaticContact CZ-ND1 3.58Å; F253-H257 AromaticContact CZ-NE2 3.81Å; F253-H257 PolarHBondContact O-N 2.81Å; F253-H257 VanDerWaalsContact O-N 3.09Å; F253-H257 PolarHBondContact O-ND1 3.25Å; I254-H257 PolarHBondContact O-N 3.15Å; Q255-H257 VanDerWaalsContact C-N 3.31Å; Q255-H257 PolarHBondContact O-N 2.99Å; H257-R259 VanDerWaalsContact C-N 3.31Å; H257-R259 PolarHBondContact O-N 3.36Å; H257-R260 PolarHBondContact O-N 2.91Å; H257-F261 WeakPolarHBondContact O-CB 3.25Å; H257-F261 PolarHBondContact O-N 2.75Å; H257-Y336 HydrophobicContact CB-CE1 3.65Å; H257-Y336 WeakPolarHBondContact CB-OH 3.34Å; H257-Y336 AromaticContact CD2-CE1 3.75Å; H257-Y336 AromaticContact CD2-CZ 3.31Å; H257-Y336 PolarHBondContact CD2-OH 3.5Å; H257-Y336 AromaticContact CG-CE1 3.38Å; H257-Y336 AromaticContact CG-CZ 3.42Å; H257-Y336 VanDerWaalsContact CG-CZ 3.42Å; H257-Y336 AromaticContact ND1-CE1 3.82Å
258L87.4Confident82.3Confident0 Ų022.6 Ų22.60%011%0.109CC..Hα-helixtrans-62.9-40.1174.1-76173.6000111.6M139 V145 M146 L149 I254 Q255 F261 C262 L269 Y271M139-L258 HydrophobicContact CE-CD1 3.86Å; V145-L258 HydrophobicContact CG1-CD2 3.82Å; M146-L258 HydrophobicContact SD-CD2 4.42Å; L149-L258 HydrophobicContact CD1-CD2 3.51Å; I254-L258 HydrophobicContact CG2-CD1 3.79Å; I254-L258 HydrophobicContact CG2-CG 4.35Å; I254-L258 WeakPolarHBondContact O-CB 3.48Å; I254-L258 WeakPolarHBondContact O-CG 3.39Å; I254-L258 PolarHBondContact O-N 3.03Å; Q255-L258 PolarHBondContact O-N 3.19Å; L258-F261 PolarHBondContact O-N 3.09Å; L258-C262 WeakPolarHBondContact O-CB 3.16Å; L258-C262 PolarHBondContact O-N 2.89Å; L258-C262 PolarHBondContact O-SG 3.43Å; L258-L269 HydrophobicContact CB-CD1 4.34Å; L258-L269 HydrophobicContact CB-CD2 3.92Å; L258-Y271 HydrophobicContact CD1-CE1 4.1Å; L258-Y271 VanDerWaalsContact CD1-OH 3.27Å; L258-Y271 WeakPolarHBondContact CD1-OH 3.23Å
259R86Confident82.9Confident4 Ų418.1 Ų18.12%0.0159%0.085CC..Hα-helixtrans-62.6-48.7173.7-82.4-176.6-165.7-148.91.8112.6Q255 H257 F261 C262 L263 L269 V302 I310 D315 I320Q255-R259 VanDerWaalsContact O-CB 3.25Å; Q255-R259 WeakPolarHBondContact O-CB 3.4Å; Q255-R259 VanDerWaalsContact O-CG 3.24Å; Q255-R259 WeakPolarHBondContact O-CG 3.25Å; Q255-R259 PolarHBondContact O-N 3.12Å; H257-R259 VanDerWaalsContact C-N 3.31Å; H257-R259 PolarHBondContact O-N 3.36Å; R259-F261 VanDerWaalsContact C-N 3.28Å; R259-F261 PolarHBondContact O-N 3.45Å; R259-C262 PolarHBondContact O-N 2.96Å; R259-C262 VanDerWaalsContact O-N 3.07Å; R259-L263 WeakPolarHBondContact O-CB 3.11Å; R259-L263 PolarHBondContact O-N 3.46Å; R259-L269 HydrophobicContact CG-CD2 4.32Å; R259-V302 VanDerWaalsContact NH2-CG2 3.3Å; R259-I310 HydrophobicContact CG-CD1 3.61Å; R259-I310 VanDerWaalsContact CZ-CD1 3.44Å; R259-D315 WeakPolarHBondContact CB-OD2 3.41Å; R259-D315 WeakPolarHBondContact CG-OD2 3.24Å; R259-I320 HydrophobicContact CB-CD1 4.01Å; R259-I320 HydrophobicContact CB-CG1 4.01Å; R259-I320 HydrophobicContact CB-CG2 4.46Å
260R83.7Confident83.5Confident83 Ų8314.9 Ų14.931%0.3137%0.07SC..Hα-helixtrans-57.9-42.7175.6-173.2176.2-176.2-167.6-1111.4S256 H257 L263 Q264 P332 E333S256-R260 WeakPolarHBondContact O-CB 3.32Å; S256-R260 PolarHBondContact O-N 2.81Å; H257-R260 PolarHBondContact O-N 2.91Å; R260-L263 PolarHBondContact O-N 3.41Å; R260-Q264 WeakPolarHBondContact O-CG 3.43Å; R260-Q264 PolarHBondContact O-N 2.85Å; R260-Q264 VanDerWaalsContact O-N 3.15Å; R260-P332 PolarHBondContact NH1-O 2.84Å; R260-P332 VanDerWaalsContact NH1-O 3.08Å; R260-E333 IonicContact CZ-OE1 2.76Å; R260-E333 VanDerWaalsContact CZ-OE1 3.25Å; R260-E333 IonicContact NH1-OE1 2.78Å; R260-E333 PolarHBondContact NH1-OE1 3.28Å; R260-E333 IonicContact NH1-OE2 3.25Å; R260-E333 IonicContact NH2-OE1 2.74Å; R260-E333 PolarHBondContact NH2-OE1 2.73Å
261F85Confident84.1Confident8 Ų813.6 Ų13.64%0.0356%0.064CC..Hα-helixtrans-61.3-49.6173.6-174.7-88.3000110.8F135 L149 A153 V229 H257 L258 R259 L263 Q264 Y265F135-F261 HydrophobicContact CD2-CE1 4.34Å; F135-F261 HydrophobicContact CE2-CE1 4.49Å; L149-F261 HydrophobicContact CB-CE1 4.11Å; L149-F261 HydrophobicContact CB-CE2 4.02Å; L149-F261 HydrophobicContact CB-CZ 3.71Å; L149-F261 HydrophobicContact CD1-CD1 4.33Å; L149-F261 HydrophobicContact CD1-CE1 4.34Å; L149-F261 HydrophobicContact CD2-CE1 4.17Å; L149-F261 HydrophobicContact CG-CE1 4.45Å; A153-F261 HydrophobicContact CB-CZ 4.37Å; V229-F261 HydrophobicContact CG2-CD1 4.44Å; V229-F261 HydrophobicContact CG2-CE1 4.39Å; H257-F261 WeakPolarHBondContact O-CB 3.25Å; H257-F261 PolarHBondContact O-N 2.75Å; L258-F261 PolarHBondContact O-N 3.09Å; R259-F261 VanDerWaalsContact C-N 3.28Å; R259-F261 PolarHBondContact O-N 3.45Å; F261-L263 VanDerWaalsContact C-N 3.28Å; F261-L263 PolarHBondContact O-N 3.37Å; F261-Q264 WeakPolarHBondContact O-CB 3.49Å; F261-Q264 PolarHBondContact O-N 3.15Å; F261-Q264 VanDerWaalsContact O-N 3.12Å; F261-Y265 AromaticContact CD1-CD2 3.71Å; F261-Y265 HydrophobicContact CD1-CD2 3.71Å; F261-Y265 AromaticContact CD1-CE2 3.94Å; F261-Y265 HydrophobicContact CD1-CE2 3.94Å; F261-Y265 HydrophobicContact CD2-CD2 4.18Å; F261-Y265 AromaticContact CD2-CE2 3.61Å; F261-Y265 HydrophobicContact CD2-CE2 3.61Å; F261-Y265 AromaticContact CE1-CD2 3.46Å; F261-Y265 HydrophobicContact CE1-CD2 3.46Å; F261-Y265 VanDerWaalsContact CE1-CD2 3.46Å; F261-Y265 AromaticContact CE1-CE2 3.51Å; F261-Y265 HydrophobicContact CE1-CE2 3.51Å; F261-Y265 HydrophobicContact CE1-CG 4.43Å; F261-Y265 AromaticContact CE2-CD2 3.99Å; F261-Y265 HydrophobicContact CE2-CD2 3.99Å; F261-Y265 AromaticContact CE2-CE2 3.18Å; F261-Y265 HydrophobicContact CE2-CE2 3.18Å; F261-Y265 AromaticContact CE2-CZ 3.9Å; F261-Y265 HydrophobicContact CG-CD2 4.06Å; F261-Y265 AromaticContact CG-CE2 3.98Å; F261-Y265 HydrophobicContact CG-CE2 3.98Å; F261-Y265 AromaticContact CZ-CD2 3.6Å; F261-Y265 HydrophobicContact CZ-CD2 3.6Å; F261-Y265 AromaticContact CZ-CE2 3.1Å; F261-Y265 HydrophobicContact CZ-CE2 3.1Å; F261-Y265 AromaticContact CZ-CZ 3.74Å; F261-Y265 VanDerWaalsContact O-CD2 3.23Å; F261-Y265 WeakPolarHBondContact O-CD2 3.33Å; F261-Y265 PolarHBondContact O-N 3.46Å
262C85.3Confident84.6Confident4 Ų412.4 Ų12.43%0.0276%0.057CC..Hα-helixtrans-59.1-39.3179.2-68.10000112.5L258 R259 Q264 Y265 G266 A267L258-C262 WeakPolarHBondContact O-CB 3.16Å; L258-C262 PolarHBondContact O-N 2.89Å; L258-C262 PolarHBondContact O-SG 3.43Å; R259-C262 PolarHBondContact O-N 2.96Å; R259-C262 VanDerWaalsContact O-N 3.07Å; C262-Q264 PolarHBondContact O-N 3.12Å; C262-Y265 PolarHBondContact O-N 3.48Å; C262-G266 CarbonylContact O-C 3.51Å; C262-G266 WeakPolarHBondContact O-CA 3.41Å; C262-G266 PolarHBondContact O-N 3.44Å; C262-A267 HydrophobicContact CB-CB 4.33Å; C262-A267 PolarHBondContact O-N 3.29Å
263L83.1Confident84.6Confident11 Ų1111.7 Ų11.76%0.0586%0.055CC..Hα-helixtrans-63.3-39.3176.4-17366.5000112.7V218 L219 R259 R260 F261 Y265 G266 D315 E317 I320V218-L263 HydrophobicContact CB-CD1 4.4Å; V218-L263 HydrophobicContact CB-CG 4.47Å; V218-L263 HydrophobicContact CG1-CD1 3.85Å; V218-L263 HydrophobicContact CG1-CG 4.33Å; V218-L263 HydrophobicContact CG2-CD1 3.86Å; V218-L263 HydrophobicContact CG2-CD2 4.03Å; V218-L263 HydrophobicContact CG2-CG 3.93Å; L219-L263 PolarHBondContact N-O 2.9Å; R259-L263 WeakPolarHBondContact O-CB 3.11Å; R259-L263 PolarHBondContact O-N 3.46Å; R260-L263 PolarHBondContact O-N 3.41Å; F261-L263 VanDerWaalsContact C-N 3.28Å; F261-L263 PolarHBondContact O-N 3.37Å; L263-Y265 VanDerWaalsContact C-N 3.33Å; L263-Y265 PolarHBondContact O-N 3.07Å; L263-G266 PolarHBondContact O-N 3.34Å; L263-D315 HydrophobicContact CD1-CB 4.5Å; L263-E317 HydrophobicContact CD2-CG 3.55Å; L263-I320 HydrophobicContact CD2-CD1 3.98Å
264Q82.9Confident84.4Confident47 Ų4713.6 Ų13.622%0.227%0.066CC..Hα-helixtrans-66-34.1177.9-72.2170.8-200113L219 T220 H221 R260 F261 C262L219-Q264 CarbonylContact C-O 3.56Å; L219-Q264 WeakPolarHBondContact CA-O 3.5Å; T220-Q264 PolarHBondContact N-O 3.18Å; H221-Q264 PolarHBondContact N-O 3.48Å; R260-Q264 WeakPolarHBondContact O-CG 3.43Å; R260-Q264 PolarHBondContact O-N 2.85Å; R260-Q264 VanDerWaalsContact O-N 3.15Å; F261-Q264 WeakPolarHBondContact O-CB 3.49Å; F261-Q264 PolarHBondContact O-N 3.15Å; F261-Q264 VanDerWaalsContact O-N 3.12Å; C262-Q264 PolarHBondContact O-N 3.12Å
265Y80.6Confident83.8Confident5 Ų520.1 Ų20.12%0.029%0.094CC..Hα-helixtrans-94.1-5.8178.2-68.6-81.2000113.7Q150 A153 R157 H221 L223 F261 C262 L263 A267Q150-Y265 PolarHBondContact OE1-OH 3.37Å; A153-Y265 HydrophobicContact CB-CE1 3.9Å; A153-Y265 WeakPolarHBondContact CB-OH 3.08Å; R157-Y265 PolarHBondContact NH1-OH 3.36Å; H221-Y265 HydrophobicContact CB-CD1 3.71Å; H221-Y265 HydrophobicContact CB-CE1 3.46Å; H221-Y265 VanDerWaalsContact CB-CE1 3.46Å; H221-Y265 HydrophobicContact CB-CG 4.49Å; L223-Y265 HydrophobicContact CD1-CD1 4.47Å; L223-Y265 HydrophobicContact CD1-CE1 4.47Å; F261-Y265 AromaticContact CD1-CD2 3.71Å; F261-Y265 HydrophobicContact CD1-CD2 3.71Å; F261-Y265 AromaticContact CD1-CE2 3.94Å; F261-Y265 HydrophobicContact CD1-CE2 3.94Å; F261-Y265 HydrophobicContact CD2-CD2 4.18Å; F261-Y265 AromaticContact CD2-CE2 3.61Å; F261-Y265 HydrophobicContact CD2-CE2 3.61Å; F261-Y265 AromaticContact CE1-CD2 3.46Å; F261-Y265 HydrophobicContact CE1-CD2 3.46Å; F261-Y265 VanDerWaalsContact CE1-CD2 3.46Å; F261-Y265 AromaticContact CE1-CE2 3.51Å; F261-Y265 HydrophobicContact CE1-CE2 3.51Å; F261-Y265 HydrophobicContact CE1-CG 4.43Å; F261-Y265 AromaticContact CE2-CD2 3.99Å; F261-Y265 HydrophobicContact CE2-CD2 3.99Å; F261-Y265 AromaticContact CE2-CE2 3.18Å; F261-Y265 HydrophobicContact CE2-CE2 3.18Å; F261-Y265 AromaticContact CE2-CZ 3.9Å; F261-Y265 HydrophobicContact CG-CD2 4.06Å; F261-Y265 AromaticContact CG-CE2 3.98Å; F261-Y265 HydrophobicContact CG-CE2 3.98Å; F261-Y265 AromaticContact CZ-CD2 3.6Å; F261-Y265 HydrophobicContact CZ-CD2 3.6Å; F261-Y265 AromaticContact CZ-CE2 3.1Å; F261-Y265 HydrophobicContact CZ-CE2 3.1Å; F261-Y265 AromaticContact CZ-CZ 3.74Å; F261-Y265 VanDerWaalsContact O-CD2 3.23Å; F261-Y265 WeakPolarHBondContact O-CD2 3.33Å; F261-Y265 PolarHBondContact O-N 3.46Å; C262-Y265 PolarHBondContact O-N 3.48Å; L263-Y265 VanDerWaalsContact C-N 3.33Å; L263-Y265 PolarHBondContact O-N 3.07Å; Y265-A267 PolarHBondContact O-N 3.22Å
266G77.8Confident83.1Confident1 Ų124.3 Ų24.31%0.0111%0.114CC..THydrogen-bonded Turntrans63.327.1-170.100000113.2C262 L263C262-G266 CarbonylContact O-C 3.51Å; C262-G266 WeakPolarHBondContact O-CA 3.41Å; C262-G266 PolarHBondContact O-N 3.44Å; L263-G266 PolarHBondContact O-N 3.34Å
267A84Confident82.5Confident7 Ų729.5 Ų29.56%0.05814%0.137CC..  trans-87.6156.9-177.500000111.8V227 V229 C262 Y265V227-A267 HydrophobicContact CB-CB 3.84Å; V227-A267 HydrophobicContact CG1-CB 3.81Å; V227-A267 VanDerWaalsContact O-CA 3.27Å; V227-A267 WeakPolarHBondContact O-CA 3.26Å; V227-A267 WeakPolarHBondContact O-CB 3.27Å; V229-A267 HydrophobicContact CG2-CB 4.11Å; C262-A267 HydrophobicContact CB-CB 4.33Å; C262-A267 PolarHBondContact O-N 3.29Å; Y265-A267 PolarHBondContact O-N 3.22Å
268A87.2Confident81.7Confident0 Ų033.9 Ų33.90%016%0.156CC..EExtended strand (participates in β ladder)trans-88.6155.6163.200000110.8L228 V229 Y286 I310L228-A268 HydrophobicContact CD1-CB 3.67Å; V229-A268 PolarHBondContact N-O 3.06Å; A268-Y286 HydrophobicContact CB-CE1 3.71Å; A268-Y286 WeakPolarHBondContact CB-OH 3.18Å; A268-I310 CarbonylContact C-O 3.55Å; A268-I310 VanDerWaalsContact CA-O 3.29Å; A268-I310 WeakPolarHBondContact CA-O 3.35Å; A268-I310 WeakPolarHBondContact CB-O 3.33Å
269L88.8Confident81.2Confident0 Ų034.8 Ų34.80%016%0.161CC..EExtended strand (participates in β ladder)trans-115.7126.6175.3-174.263.9000109.7V229 L258 R259 Y271 I310V229-L269 HydrophobicContact CB-CD1 3.94Å; V229-L269 HydrophobicContact CG1-CD1 3.74Å; V229-L269 CarbonylContact O-C 3.6Å; V229-L269 WeakPolarHBondContact O-CA 3.3Å; L258-L269 HydrophobicContact CB-CD1 4.34Å; L258-L269 HydrophobicContact CB-CD2 3.92Å; R259-L269 HydrophobicContact CG-CD2 4.32Å; L269-Y271 HydrophobicContact CD1-CD1 4.44Å; L269-Y271 HydrophobicContact CD1-CE1 3.94Å; L269-Y271 HydrophobicContact CD2-CE1 3.83Å; L269-Y271 HydrophobicContact CG-CD1 4.26Å; L269-Y271 HydrophobicContact CG-CE1 3.85Å; L269-I310 HydrophobicContact CB-CB 4.22Å; L269-I310 HydrophobicContact CB-CD1 4.42Å; L269-I310 HydrophobicContact CD2-CD1 4.18Å; L269-I310 PolarHBondContact N-O 3.46Å; L269-I310 PolarHBondContact O-N 3.3Å
270I90.3Very high80.6Confident0 Ų035.5 Ų35.50%017%0.165CC..EExtended strand (participates in β ladder)trans-130.5127.6176.9-53.5-175.2000109.6L228 V229 V230 C231 N279 L283 Y286 F309L228-I270 HydrophobicContact CD1-CD1 3.73Å; L228-I270 HydrophobicContact CD1-CG1 3.85Å; L228-I270 HydrophobicContact CD2-CD1 4.3Å; V229-I270 PolarHBondContact O-N 2.89Å; V230-I270 CarbonylContact C-O 3.55Å; V230-I270 VanDerWaalsContact CA-O 3.27Å; V230-I270 WeakPolarHBondContact CA-O 3.39Å; C231-I270 PolarHBondContact N-O 3.16Å; I270-N279 HydrophobicContact CG2-CB 4.29Å; I270-L283 HydrophobicContact CD1-CB 4.07Å; I270-L283 HydrophobicContact CD1-CG 4.29Å; I270-Y286 HydrophobicContact CD1-CD1 4.32Å; I270-F309 HydrophobicContact CB-CD2 4.45Å; I270-F309 HydrophobicContact CD1-CD2 3.85Å; I270-F309 HydrophobicContact CD1-CE2 3.63Å; I270-F309 HydrophobicContact CG1-CD2 3.65Å; I270-F309 HydrophobicContact CG1-CE2 3.86Å; I270-F309 HydrophobicContact CG2-CD2 4.28Å
271Y90Very high80.3Confident11 Ų1137 Ų374%0.04318%0.179CC..EExtended strand (participates in β ladder)trans-96128.9169.7-74.311.5000108.7M139 C231 C234 L258 L269 N279 V308M139-Y271 HydrophobicContact CE-CD1 4.31Å; M139-Y271 HydrophobicContact CE-CD2 4.25Å; M139-Y271 HydrophobicContact CE-CE1 3.62Å; M139-Y271 HydrophobicContact CE-CE2 3.57Å; M139-Y271 VanDerWaalsContact CE-OH 3.32Å; M139-Y271 WeakPolarHBondContact CE-OH 3.47Å; C231-Y271 HydrophobicContact CB-CD1 3.48Å; C231-Y271 VanDerWaalsContact CB-CD1 3.48Å; C231-Y271 HydrophobicContact CB-CE1 3.7Å; C231-Y271 HydrophobicContact CB-CG 4.26Å; C231-Y271 VanDerWaalsContact SG-CE1 3.52Å; C234-Y271 VanDerWaalsContact SG-CB 3.53Å; L258-Y271 HydrophobicContact CD1-CE1 4.1Å; L258-Y271 VanDerWaalsContact CD1-OH 3.27Å; L258-Y271 WeakPolarHBondContact CD1-OH 3.23Å; L269-Y271 HydrophobicContact CD1-CD1 4.44Å; L269-Y271 HydrophobicContact CD1-CE1 3.94Å; L269-Y271 HydrophobicContact CD2-CE1 3.83Å; L269-Y271 HydrophobicContact CG-CD1 4.26Å; L269-Y271 HydrophobicContact CG-CE1 3.85Å; Y271-N279 WeakPolarHBondContact O-CB 3.41Å; Y271-N279 PolarHBondContact O-ND2 3.38Å; Y271-V308 HydrophobicContact CD1-CB 4.32Å; Y271-V308 HydrophobicContact CD2-CB 3.63Å; Y271-V308 HydrophobicContact CD2-CG2 3.56Å; Y271-V308 HydrophobicContact CE2-CB 3.92Å; Y271-V308 HydrophobicContact CE2-CG2 3.6Å; Y271-V308 HydrophobicContact CG-CB 3.83Å; Y271-V308 HydrophobicContact CG-CG2 4.29Å; Y271-V308 PolarHBondContact N-O 2.86Å
272T87.2Confident80.1Confident1 Ų138 Ų381%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-131.5137.6-179.5-172.80000110.8L70 V230 C231 T232 K233 L280L70-T272 HydrophobicContact CD1-CG2 3.85Å; V230-T272 HydrophobicContact CG1-CG2 3.49Å; V230-T272 VanDerWaalsContact CG1-CG2 3.49Å; C231-T272 PolarHBondContact O-N 3.22Å; T232-T272 CarbonylContact C-O 3.51Å; T232-T272 WeakPolarHBondContact CA-O 3.35Å; T232-T272 HydrophobicContact CG2-CG2 3.8Å; K233-T272 PolarHBondContact N-O 2.92Å; T272-L280 WeakPolarHBondContact OG1-CD2 3.49Å
273S83.8Confident79.8Confident10 Ų1037.9 Ų37.97%0.0718%0.184CC..  trans-122.3131.4175.2177.70000109.3K275 E277S273-K275 VanDerWaalsContact C-N 3.25Å; S273-K275 PolarHBondContact O-N 2.88Å; S273-K275 PolarHBondContact OG-N 3.43Å; S273-E277 PolarHBondContact O-N 3.23Å
274V76.5Confident79.7Confident47 Ų4739.9 Ų39.929%0.28519%0.191SC..THydrogen-bonded Turntrans-71.9-24.7178.1-1780000111.2T69 K73 E277T69-V274 HydrophobicContact CG2-CG1 4.07Å; T69-V274 HydrophobicContact CG2-CG2 4.05Å; K73-V274 HydrophobicContact CG-CG1 4.29Å; V274-E277 WeakPolarHBondContact O-CG 3.32Å
275K71.4Confident79.4Confident154 Ų15442.4 Ų42.467%0.6720%0.201SC*.THydrogen-bonded Turntrans-78-39-179-72-175.5-176.6149.40113D235 S273 E277D235-K275 HydrophobicContact CB-CD 4.06Å; D235-K275 WeakPolarHBondContact OD2-CD 3.32Å; D235-K275 WeakPolarHBondContact OD2-CE 3.27Å; D235-K275 IonicContact OD2-NZ 3.18Å; D235-K275 PolarHBondContact OD2-NZ 2.9Å; S273-K275 VanDerWaalsContact C-N 3.25Å; S273-K275 PolarHBondContact O-N 2.88Å; S273-K275 PolarHBondContact OG-N 3.43Å; K275-E277 VanDerWaalsContact C-N 3.35Å
276E68.6Low79.4Confident99 Ų9942.3 Ų42.346%0.46320%0.201SC..THydrogen-bonded Turntrans-84.6-16.2179.8-59.6-151.1168.100112.2K278E276-K278 HydrophobicContact CB-CB 4.18Å; E276-K278 HydrophobicContact CB-CD 4.32Å; E276-K278 HydrophobicContact CB-CG 4.04Å; E276-K278 PolarHBondContact O-N 3.14Å; E276-K278 WeakPolarHBondContact OE2-CD 3.41Å; E276-K278 IonicContact OE2-NZ 3.84Å; E276-K278 PolarHBondContact OE2-NZ 2.79Å
277E69.2Low79.5Confident115 Ų11542.5 Ų42.554%0.53720%0.202SC..  trans5015.9-172-60.5-171157.500113.4K73 S273 V274 K275 L280K73-E277 IonicContact NZ-OE1 2.68Å; K73-E277 PolarHBondContact NZ-OE1 3.24Å; S273-E277 PolarHBondContact O-N 3.23Å; V274-E277 WeakPolarHBondContact O-CG 3.32Å; K275-E277 VanDerWaalsContact C-N 3.35Å; E277-L280 HydrophobicContact CB-CD1 4.42Å
278K67.5Low79.2Confident105 Ų10543.1 Ų43.146%0.45721%0.205SC..  trans-80.9151.7175.5-71.3-174.1-170.9161.90110.4E276 L280E276-K278 HydrophobicContact CB-CB 4.18Å; E276-K278 HydrophobicContact CB-CD 4.32Å; E276-K278 HydrophobicContact CB-CG 4.04Å; E276-K278 PolarHBondContact O-N 3.14Å; E276-K278 WeakPolarHBondContact OE2-CD 3.41Å; E276-K278 IonicContact OE2-NZ 3.84Å; E276-K278 PolarHBondContact OE2-NZ 2.79Å; K278-L280 PolarHBondContact O-N 3.39Å
279N75.5Confident78.6Confident18 Ų1844.3 Ų44.310%0.09621%0.21CC..SBendtrans64.4-5.1180-58.3-14.2000116.2I270 Y271 L282 L283 A307I270-N279 HydrophobicContact CG2-CB 4.29Å; Y271-N279 WeakPolarHBondContact O-CB 3.41Å; Y271-N279 PolarHBondContact O-ND2 3.38Å; N279-L282 PolarHBondContact O-N 2.93Å; N279-L282 WeakPolarHBondContact OD1-CD1 3.42Å; N279-L283 VanDerWaalsContact O-CB 3.28Å; N279-L283 WeakPolarHBondContact O-CB 3.23Å; N279-L283 PolarHBondContact O-N 2.97Å; N279-A307 PolarHBondContact ND2-O 3.1Å
280L74.6Confident77.7Confident20 Ų2047.1 Ų47.111%0.10522%0.222CC..Hα-helixtrans-65.2-43.5173.2-68174.3000111.2L70 K73 T272 E277 K278 L283 Y284L70-L280 HydrophobicContact CD1-CD2 3.42Å; L70-L280 VanDerWaalsContact CD1-CD2 3.42Å; K73-L280 HydrophobicContact CB-CD1 4.2Å; T272-L280 WeakPolarHBondContact OG1-CD2 3.49Å; E277-L280 HydrophobicContact CB-CD1 4.42Å; K278-L280 PolarHBondContact O-N 3.39Å; L280-L283 PolarHBondContact O-N 2.65Å; L280-Y284 WeakPolarHBondContact O-CB 3.41Å; L280-Y284 PolarHBondContact O-N 2.83Å
281D77.8Confident76.7Confident113 Ų11348.5 Ų48.560%0.60423%0.231SC*.Hα-helixtrans-66.5-41.2175.5-17453.4000111.5L283 Y284 K285D281-L283 VanDerWaalsContact C-N 3.33Å; D281-L283 PolarHBondContact O-N 3.17Å; D281-Y284 WeakPolarHBondContact O-CB 3.48Å; D281-Y284 PolarHBondContact O-N 2.9Å; D281-K285 VanDerWaalsContact O-CB 3.28Å; D281-K285 WeakPolarHBondContact O-CB 3.31Å; D281-K285 PolarHBondContact O-N 3.4Å
282L79.2Confident75.4Confident30 Ų3049.6 Ų49.616%0.15724%0.235CC..Hα-helixtrans-61.6-41.5173.8-64.2-176.9000112N279 Y286 F296 T298 L301N279-L282 PolarHBondContact O-N 2.93Å; N279-L282 WeakPolarHBondContact OD1-CD1 3.42Å; L282-Y286 WeakPolarHBondContact O-CB 3.32Å; L282-Y286 PolarHBondContact O-N 2.67Å; L282-F296 HydrophobicContact CD2-CE2 4.4Å; L282-F296 HydrophobicContact CD2-CZ 4.27Å; L282-T298 HydrophobicContact CD2-CG2 3.92Å; L282-L301 HydrophobicContact CD1-CD1 4.4Å
283L80.2Confident74.2Confident1 Ų152.3 Ų52.31%0.00526%0.263CS..Hα-helixtrans-62.2-46.7175177.1158.8000110.6L228 V230 I270 N279 L280 D281 Y286 I287L228-L283 HydrophobicContact CD2-CG 4.48Å; V230-L283 HydrophobicContact CB-CD1 4.43Å; V230-L283 HydrophobicContact CG1-CD1 3.87Å; V230-L283 HydrophobicContact CG2-CD1 3.62Å; I270-L283 HydrophobicContact CD1-CB 4.07Å; I270-L283 HydrophobicContact CD1-CG 4.29Å; N279-L283 VanDerWaalsContact O-CB 3.28Å; N279-L283 WeakPolarHBondContact O-CB 3.23Å; N279-L283 PolarHBondContact O-N 2.97Å; L280-L283 PolarHBondContact O-N 2.65Å; D281-L283 VanDerWaalsContact C-N 3.33Å; D281-L283 PolarHBondContact O-N 3.17Å; L283-Y286 PolarHBondContact O-N 3.4Å; L283-I287 HydrophobicContact CD2-CD1 3.41Å; L283-I287 VanDerWaalsContact CD2-CD1 3.41Å; L283-I287 HydrophobicContact CD2-CG1 4.27Å; L283-I287 HydrophobicContact CG-CD1 4.26Å; L283-I287 VanDerWaalsContact O-CG1 3.31Å; L283-I287 WeakPolarHBondContact O-CG1 3.45Å; L283-I287 PolarHBondContact O-N 3.45Å
284Y80.3Confident72.8Confident53 Ų5355.2 Ų55.221%0.20828%0.275CS..Hα-helixtrans-59.6-53.2177.6-177.6-105.3000110.9L74 V93 L280 D281 Y286 I287 V288L74-Y284 HydrophobicContact CD1-CD2 3.57Å; L74-Y284 HydrophobicContact CD1-CG 4.02Å; L74-Y284 HydrophobicContact CD2-CD2 4.43Å; L74-Y284 HydrophobicContact CG-CD2 4.08Å; V93-Y284 VanDerWaalsContact CA-OH 3.23Å; V93-Y284 WeakPolarHBondContact CA-OH 3.23Å; V93-Y284 HydrophobicContact CG2-CE2 3.95Å; L280-Y284 WeakPolarHBondContact O-CB 3.41Å; L280-Y284 PolarHBondContact O-N 2.83Å; D281-Y284 WeakPolarHBondContact O-CB 3.48Å; D281-Y284 PolarHBondContact O-N 2.9Å; Y284-Y286 VanDerWaalsContact C-N 3.26Å; Y284-Y286 PolarHBondContact O-N 3.25Å; Y284-I287 PolarHBondContact O-N 3.24Å; Y284-I287 VanDerWaalsContact O-N 3.12Å; Y284-V288 HydrophobicContact CD1-CG2 4.23Å; Y284-V288 HydrophobicContact CE1-CG2 3.98Å; Y284-V288 HydrophobicContact CE2-CG2 4.41Å; Y284-V288 VanDerWaalsContact O-CG2 3.3Å; Y284-V288 WeakPolarHBondContact O-CG2 3.28Å; Y284-V288 PolarHBondContact O-N 2.92Å
285K77.8Confident71.5Confident100 Ų10061.4 Ų61.444%0.43530%0.3SS..Hα-helixtrans-58.8-37.5177.6-167.3174.2-179.6165.90111.9D281 V288 H289 F296D281-K285 VanDerWaalsContact O-CB 3.28Å; D281-K285 WeakPolarHBondContact O-CB 3.31Å; D281-K285 PolarHBondContact O-N 3.4Å; K285-V288 PolarHBondContact O-N 3.41Å; K285-H289 WeakPolarHBondContact O-CB 3.17Å; K285-H289 PolarHBondContact O-N 2.89Å; K285-F296 HydrophobicContact CB-CD2 4.44Å; K285-F296 HydrophobicContact CB-CE2 4.14Å; K285-F296 HydrophobicContact CD-CD2 3.89Å; K285-F296 HydrophobicContact CD-CE2 3.87Å; K285-F296 HydrophobicContact CG-CD2 3.81Å; K285-F296 HydrophobicContact CG-CE2 3.93Å
286Y79.6Confident70.9Confident4 Ų454.2 Ų54.22%0.01627%0.269CS..Hα-helixtrans-69.3-39.7176.1-176.5-102.6000112.9L228 A268 I270 L282 L283 Y284 H289 K290 F309 A312L228-Y286 HydrophobicContact CD1-CD1 4.09Å; L228-Y286 HydrophobicContact CD1-CE1 3.82Å; L228-Y286 HydrophobicContact CD2-CD1 4.26Å; A268-Y286 HydrophobicContact CB-CE1 3.71Å; A268-Y286 WeakPolarHBondContact CB-OH 3.18Å; I270-Y286 HydrophobicContact CD1-CD1 4.32Å; L282-Y286 WeakPolarHBondContact O-CB 3.32Å; L282-Y286 PolarHBondContact O-N 2.67Å; L283-Y286 PolarHBondContact O-N 3.4Å; Y284-Y286 VanDerWaalsContact C-N 3.26Å; Y284-Y286 PolarHBondContact O-N 3.25Å; Y286-H289 WeakPolarHBondContact O-CB 3.32Å; Y286-H289 PolarHBondContact O-N 3.21Å; Y286-K290 HydrophobicContact CD1-CD 4.41Å; Y286-K290 HydrophobicContact CE1-CD 3.59Å; Y286-K290 HydrophobicContact CE1-CG 4.04Å; Y286-K290 HydrophobicContact CE2-CG 4.33Å; Y286-K290 VanDerWaalsContact CZ-CE 3.43Å; Y286-K290 WeakPolarHBondContact O-CB 3.42Å; Y286-K290 PolarHBondContact O-N 3Å; Y286-K290 WeakPolarHBondContact OH-CE 3.31Å; Y286-K290 PolarHBondContact OH-NZ 2.82Å; Y286-F309 HydrophobicContact CD2-CZ 4.17Å; Y286-A312 PolarHBondContact OH-N 3.1Å
287I79.5Confident70.4Confident5 Ų553.2 Ų53.23%0.02627%0.27CS..Hα-helixtrans-62.8-46.7172.3-71.6172.4000109.5I57 L132 I134 L228 L283 Y284 H289 K290 T291I57-I287 HydrophobicContact CD1-CD1 4.47Å; I57-I287 HydrophobicContact CD1-CG2 3.68Å; L132-I287 HydrophobicContact CD1-CG1 4.35Å; L132-I287 HydrophobicContact CD1-CG2 4.34Å; I134-I287 HydrophobicContact CD1-CD1 3.58Å; I134-I287 HydrophobicContact CD1-CG1 4.44Å; L228-I287 HydrophobicContact CD2-CD1 4.48Å; L228-I287 HydrophobicContact CD2-CG1 4.11Å; L283-I287 HydrophobicContact CD2-CD1 3.41Å; L283-I287 VanDerWaalsContact CD2-CD1 3.41Å; L283-I287 HydrophobicContact CD2-CG1 4.27Å; L283-I287 HydrophobicContact CG-CD1 4.26Å; L283-I287 VanDerWaalsContact O-CG1 3.31Å; L283-I287 WeakPolarHBondContact O-CG1 3.45Å; L283-I287 PolarHBondContact O-N 3.45Å; Y284-I287 PolarHBondContact O-N 3.24Å; Y284-I287 VanDerWaalsContact O-N 3.12Å; I287-H289 VanDerWaalsContact C-N 3.32Å; I287-H289 PolarHBondContact O-N 3.39Å; I287-K290 PolarHBondContact O-N 3.42Å; I287-T291 HydrophobicContact CG2-CG2 4.2Å; I287-T291 VanDerWaalsContact O-CB 3.24Å; I287-T291 WeakPolarHBondContact O-CB 3.28Å; I287-T291 VanDerWaalsContact O-CG2 3.24Å; I287-T291 WeakPolarHBondContact O-CG2 3.48Å; I287-T291 PolarHBondContact O-N 2.91Å; I287-T291 PolarHBondContact O-OG1 3.41Å
288V77.9Confident70.3Confident20 Ų2049.5 Ų49.512%0.12126%0.255CS..Hα-helixtrans-61.9-42.9178.3175.50000110.4V93 Y284 K285 T291 Y292 F294V93-V288 HydrophobicContact CG1-CB 4.49Å; V93-V288 HydrophobicContact CG1-CG1 4.13Å; V93-V288 HydrophobicContact CG1-CG2 3.5Å; V93-V288 HydrophobicContact CG2-CG2 4.19Å; Y284-V288 HydrophobicContact CD1-CG2 4.23Å; Y284-V288 HydrophobicContact CE1-CG2 3.98Å; Y284-V288 HydrophobicContact CE2-CG2 4.41Å; Y284-V288 VanDerWaalsContact O-CG2 3.3Å; Y284-V288 WeakPolarHBondContact O-CG2 3.28Å; Y284-V288 PolarHBondContact O-N 2.92Å; K285-V288 PolarHBondContact O-N 3.41Å; V288-T291 WeakPolarHBondContact CA-OG1 3.39Å; V288-T291 PolarHBondContact O-N 3.12Å; V288-T291 PolarHBondContact O-OG1 2.86Å; V288-Y292 HydrophobicContact CB-CD2 4.32Å; V288-Y292 HydrophobicContact CG1-CD2 3.78Å; V288-Y292 HydrophobicContact CG1-CE2 4.46Å; V288-Y292 HydrophobicContact CG1-CG 4.47Å; V288-Y292 WeakPolarHBondContact O-CA 3.45Å; V288-Y292 WeakPolarHBondContact O-CB 3.46Å; V288-Y292 WeakPolarHBondContact O-CD2 3.2Å; V288-Y292 PolarHBondContact O-N 2.86Å; V288-F294 HydrophobicContact CG1-CD2 4.15Å
289H74.1Confident70.5Confident24 Ų2449 Ų4911%0.11126%0.262CS..Hα-helixtrans-57.9-54.8173.5176.7-84.6000112.2Y184 K285 Y286 I287 T291 G293 F294 F296Y184-H289 AromaticContact CE2-CE1 3.66Å; K285-H289 WeakPolarHBondContact O-CB 3.17Å; K285-H289 PolarHBondContact O-N 2.89Å; Y286-H289 WeakPolarHBondContact O-CB 3.32Å; Y286-H289 PolarHBondContact O-N 3.21Å; I287-H289 VanDerWaalsContact C-N 3.32Å; I287-H289 PolarHBondContact O-N 3.39Å; H289-T291 VanDerWaalsContact C-N 3.25Å; H289-T291 PolarHBondContact O-N 3.48Å; H289-G293 VanDerWaalsContact O-CA 3.25Å; H289-G293 WeakPolarHBondContact O-CA 3.46Å; H289-G293 PolarHBondContact O-N 3.24Å; H289-F294 PolarHBondContact CD2-O 3.49Å; H289-F294 PolarHBondContact NE2-O 3.48Å; H289-F296 HydrophobicContact CB-CB 4.08Å; H289-F296 WeakPolarHBondContact CD2-CB 3.46Å; H289-F296 PolarHBondContact CD2-N 3.39Å; H289-F296 WeakPolarHBondContact NE2-CB 3.48Å; H289-F296 PolarHBondContact NE2-N 3.2Å
290K70.5Confident70.7Confident59 Ų5949.1 Ų49.126%0.25727%0.266SS..Hα-helixtrans-63.4-32.9-179.1-86.4-158156.5177.80113.1L132 P226 Y286 I287L132-K290 HydrophobicContact CD1-CB 4.14Å; P226-K290 HydrophobicContact CB-CD 4.47Å; Y286-K290 HydrophobicContact CD1-CD 4.41Å; Y286-K290 HydrophobicContact CE1-CD 3.59Å; Y286-K290 HydrophobicContact CE1-CG 4.04Å; Y286-K290 HydrophobicContact CE2-CG 4.33Å; Y286-K290 VanDerWaalsContact CZ-CE 3.43Å; Y286-K290 WeakPolarHBondContact O-CB 3.42Å; Y286-K290 PolarHBondContact O-N 3Å; Y286-K290 WeakPolarHBondContact OH-CE 3.31Å; Y286-K290 PolarHBondContact OH-NZ 2.82Å; I287-K290 PolarHBondContact O-N 3.42Å
291T69.5Low70.9Confident30 Ų3051.6 Ų51.618%0.18428%0.279CS..Hα-helixtrans-86.7-44.3-176.355.70000112K55 L132 I287 V288 H289K55-T291 HydrophobicContact CD-CG2 4.16Å; K55-T291 PolarHBondContact NZ-O 3.47Å; L132-T291 HydrophobicContact CB-CG2 4.42Å; L132-T291 HydrophobicContact CD1-CG2 3.97Å; I287-T291 HydrophobicContact CG2-CG2 4.2Å; I287-T291 VanDerWaalsContact O-CB 3.24Å; I287-T291 WeakPolarHBondContact O-CB 3.28Å; I287-T291 VanDerWaalsContact O-CG2 3.24Å; I287-T291 WeakPolarHBondContact O-CG2 3.48Å; I287-T291 PolarHBondContact O-N 2.91Å; I287-T291 PolarHBondContact O-OG1 3.41Å; V288-T291 WeakPolarHBondContact CA-OG1 3.39Å; V288-T291 PolarHBondContact O-N 3.12Å; V288-T291 PolarHBondContact O-OG1 2.86Å; H289-T291 VanDerWaalsContact C-N 3.25Å; H289-T291 PolarHBondContact O-N 3.48Å
292Y63.4Low71Confident34 Ų3448.1 Ų48.113%0.13326%0.261CS..Hα-helixtrans-98.5-11.2-174.3-63.1-90000113.6L51 P52 K55 V93 T102 V288 F294L51-Y292 HydrophobicContact CB-CD1 4.28Å; L51-Y292 HydrophobicContact CB-CE1 4.18Å; L51-Y292 HydrophobicContact CD2-CD1 4.27Å; P52-Y292 HydrophobicContact CG-CD1 4.32Å; K55-Y292 HydrophobicContact CD-CE1 4.28Å; K55-Y292 HydrophobicContact CD-CE2 4.15Å; K55-Y292 VanDerWaalsContact CE-CE1 3.48Å; K55-Y292 VanDerWaalsContact NZ-CA 3.33Å; V93-Y292 HydrophobicContact CB-CE2 4.48Å; V93-Y292 HydrophobicContact CG1-CE2 4.2Å; T102-Y292 WeakPolarHBondContact CB-OH 3.38Å; T102-Y292 HydrophobicContact CG2-CE1 3.73Å; T102-Y292 PolarHBondContact OG1-OH 2.94Å; V288-Y292 HydrophobicContact CB-CD2 4.32Å; V288-Y292 HydrophobicContact CG1-CD2 3.78Å; V288-Y292 HydrophobicContact CG1-CE2 4.46Å; V288-Y292 HydrophobicContact CG1-CG 4.47Å; V288-Y292 WeakPolarHBondContact O-CA 3.45Å; V288-Y292 WeakPolarHBondContact O-CB 3.46Å; V288-Y292 WeakPolarHBondContact O-CD2 3.2Å; V288-Y292 PolarHBondContact O-N 2.86Å; Y292-F294 HydrophobicContact CG-CE2 4.47Å
293G60.4Low70.9Confident57 Ų5753.3 Ų53.359%0.58829%0.294SS*.  trans75.422.9177.300000114.3H289H289-G293 VanDerWaalsContact O-CA 3.25Å; H289-G293 WeakPolarHBondContact O-CA 3.46Å; H289-G293 PolarHBondContact O-N 3.24Å
294F56.3Low70.6Confident71 Ų7158.3 Ų58.331%0.31132%0.318SS..  trans-61.9167.5166-74.9-74.7000110.4D95 V288 H289 Y292D95-F294 WeakPolarHBondContact OD1-CZ 3.35Å; D95-F294 WeakPolarHBondContact OD2-CZ 3.3Å; V288-F294 HydrophobicContact CG1-CD2 4.15Å; H289-F294 PolarHBondContact CD2-O 3.49Å; H289-F294 PolarHBondContact NE2-O 3.48Å; Y292-F294 HydrophobicContact CG-CE2 4.47Å
295H48.7Very low70.2Confident177 Ų17759.2 Ų59.282%0.81932%0.322SS*.  trans-97.8128.4174.2-66.1-71.7000110.5
296F57.8Low70.1Confident4 Ų457.5 Ų57.52%0.01832%0.318CS..  trans-111.7115.1-178.6179.5-98.4000107.6Y184 L282 K285 H289 T298 F309Y184-F296 PolarHBondContact OH-O 3.04Å; L282-F296 HydrophobicContact CD2-CE2 4.4Å; L282-F296 HydrophobicContact CD2-CZ 4.27Å; K285-F296 HydrophobicContact CB-CD2 4.44Å; K285-F296 HydrophobicContact CB-CE2 4.14Å; K285-F296 HydrophobicContact CD-CD2 3.89Å; K285-F296 HydrophobicContact CD-CE2 3.87Å; K285-F296 HydrophobicContact CG-CD2 3.81Å; K285-F296 HydrophobicContact CG-CE2 3.93Å; H289-F296 HydrophobicContact CB-CB 4.08Å; H289-F296 WeakPolarHBondContact CD2-CB 3.46Å; H289-F296 PolarHBondContact CD2-N 3.39Å; H289-F296 WeakPolarHBondContact NE2-CB 3.48Å; H289-F296 PolarHBondContact NE2-N 3.2Å; F296-T298 HydrophobicContact CE1-CG2 4.5Å; F296-T298 WeakPolarHBondContact CE1-O 3.21Å; F296-T298 WeakPolarHBondContact CE2-OG1 3.38Å; F296-T298 HydrophobicContact CZ-CG2 4.16Å; F296-T298 WeakPolarHBondContact CZ-OG1 3.32Å; F296-F309 AromaticContact CE1-CE1 3.6Å; F296-F309 HydrophobicContact CE1-CE1 3.6Å; F296-F309 AromaticContact CE1-CZ 3.48Å; F296-F309 HydrophobicContact CE1-CZ 3.48Å; F296-F309 VanDerWaalsContact CE1-CZ 3.48Å; F296-F309 AromaticContact CZ-CE1 3.98Å; F296-F309 HydrophobicContact CZ-CE1 3.98Å; F296-F309 AromaticContact CZ-CZ 3.69Å; F296-F309 HydrophobicContact CZ-CZ 3.69Å
297T58.6Low70Confident78 Ų7857.6 Ų57.648%0.47932%0.32SS..  trans-100.45.7-176.952.70000112.7P299T297-P299 WeakPolarHBondContact O-CD 3.48Å
298T66.7Low70.3Confident36 Ų3657.3 Ų57.322%0.22132%0.318CS..PPolyproline II helixtrans-74.2124.9-178.2-44.20000110L282 F296L282-T298 HydrophobicContact CD2-CG2 3.92Å; F296-T298 HydrophobicContact CE1-CG2 4.5Å; F296-T298 WeakPolarHBondContact CE1-O 3.21Å; F296-T298 WeakPolarHBondContact CE2-OG1 3.38Å; F296-T298 HydrophobicContact CZ-CG2 4.16Å; F296-T298 WeakPolarHBondContact CZ-OG1 3.32Å
299P72.3Confident70.8Confident95 Ų9556.4 Ų56.462%0.61731%0.313SS*.PPolyproline II helixtrans-66.6157.5-179.328-35.6000111.9T297 L301T297-P299 WeakPolarHBondContact O-CD 3.48Å; P299-L301 PolarHBondContact O-N 3.06Å
300A78.9Confident71.3Confident20 Ų2055.4 Ų55.417%0.16531%0.308CS..PPolyproline II helixtrans-62.7130.5171.100000110.5F309 P311 W314A300-F309 CarbonylContact C-O 3.57Å; A300-F309 WeakPolarHBondContact CA-O 3.38Å; A300-P311 HydrophobicContact CB-CG 4.43Å; A300-W314 HydrophobicContact CB-CD2 3.62Å; A300-W314 HydrophobicContact CB-CE3 4.32Å; A300-W314 HydrophobicContact CB-CG 3.75Å; A300-W314 HydrophobicContact CB-CZ2 4.08Å
301L78.9Confident71.9Confident73 Ų7353 Ų5338%0.38230%0.299SS..BIsolated β-bridgetrans-104.695.7175.8-69.6167.1000108.1L282 P299 V308 F309L282-L301 HydrophobicContact CD1-CD1 4.4Å; P299-L301 PolarHBondContact O-N 3.06Å; L301-V308 CarbonylContact O-C 3.52Å; L301-V308 WeakPolarHBondContact O-CA 3.34Å; L301-F309 HydrophobicContact CB-CB 4.22Å; L301-F309 PolarHBondContact N-O 2.68Å; L301-F309 PolarHBondContact O-N 3.31Å
302V80.2Confident72.2Confident39 Ų3952.2 Ų52.224%0.23630%0.295CS..  trans-105.6-9.9178.3159.50000112.8R259 I310 W314R259-V302 VanDerWaalsContact NH2-CG2 3.3Å; V302-I310 HydrophobicContact CG2-CD1 4.24Å; V302-I310 HydrophobicContact CG2-CG1 3.78Å; V302-W314 HydrophobicContact CB-CH2 3.92Å; V302-W314 HydrophobicContact CB-CZ3 4.25Å; V302-W314 HydrophobicContact CG1-CH2 4.19Å; V302-W314 HydrophobicContact CG1-CZ3 4.47Å; V302-W314 HydrophobicContact CG2-CE3 4.17Å; V302-W314 HydrophobicContact CG2-CH2 3.55Å; V302-W314 HydrophobicContact CG2-CZ2 4.43Å; V302-W314 HydrophobicContact CG2-CZ3 3.42Å; V302-W314 VanDerWaalsContact CG2-CZ3 3.42Å
303V77Confident72.5Confident140 Ų14052.2 Ų52.285%0.84831%0.305SS*.SBendtrans-71.8-39-174.8-176.50000111.9
304E75Confident73.3Confident106 Ų10651.9 Ų51.950%0.49529%0.286SS..  trans-89.1115.9-178.2-67.9-174-177.600110.6D306 A307 V308E304-D306 PolarHBondContact O-N 3.04Å; E304-A307 HydrophobicContact CB-CB 4.16Å; E304-A307 CarbonylContact O-C 3.59Å; E304-A307 PolarHBondContact O-N 3.46Å; E304-V308 WeakPolarHBondContact O-CG2 3.15Å; E304-V308 PolarHBondContact O-N 3.07Å
305K72.3Confident74.3Confident71 Ų7149.4 Ų49.431%0.30928%0.276SS..THydrogen-bonded Turntrans-61.1-28.8178.2-60.6-167.9178.2-158.20112.7D248 L251 D252D248-K305 VanDerWaalsContact CG-NZ 3.31Å; D248-K305 IonicContact OD1-NZ 3.46Å; D248-K305 PolarHBondContact OD1-NZ 3.08Å; L251-K305 HydrophobicContact CD1-CD 4.45Å; D252-K305 IonicContact OD1-NZ 2.68Å; D252-K305 PolarHBondContact OD1-NZ 3.38Å; D252-K305 VanDerWaalsContact OD1-NZ 3.09Å; D252-K305 IonicContact OD2-NZ 2.72Å
306D74.7Confident75.8Confident64 Ų6444.6 Ų44.634%0.34226%0.257SS..THydrogen-bonded Turntrans-88.9-18.7-177-60.5-22.1000113.4C234 E304C234-D306 VanDerWaalsContact CB-O 3.26Å; C234-D306 WeakPolarHBondContact CB-O 3.22Å; E304-D306 PolarHBondContact O-N 3.04Å
307A78.3Confident76.7Confident6 Ų647.7 Ų47.75%0.0527%0.271CS..SBendtrans-136.349.9-17200000111.6N279 E304 F309N279-A307 PolarHBondContact ND2-O 3.1Å; E304-A307 HydrophobicContact CB-CB 4.16Å; E304-A307 CarbonylContact O-C 3.59Å; E304-A307 PolarHBondContact O-N 3.46Å; A307-F309 PolarHBondContact O-N 2.82Å
308V85.6Confident77.5Confident0 Ų051.4 Ų51.40%028%0.281CS..  trans-68.8127.6179-176.90000111.1Q255 Y271 L301 E304 I310Q255-V308 VanDerWaalsContact NE2-CG2 3.26Å; Y271-V308 HydrophobicContact CD1-CB 4.32Å; Y271-V308 HydrophobicContact CD2-CB 3.63Å; Y271-V308 HydrophobicContact CD2-CG2 3.56Å; Y271-V308 HydrophobicContact CE2-CB 3.92Å; Y271-V308 HydrophobicContact CE2-CG2 3.6Å; Y271-V308 HydrophobicContact CG-CB 3.83Å; Y271-V308 HydrophobicContact CG-CG2 4.29Å; Y271-V308 PolarHBondContact N-O 2.86Å; L301-V308 CarbonylContact O-C 3.52Å; L301-V308 WeakPolarHBondContact O-CA 3.34Å; E304-V308 WeakPolarHBondContact O-CG2 3.15Å; E304-V308 PolarHBondContact O-N 3.07Å; V308-I310 HydrophobicContact CG1-CD1 3.75Å; V308-I310 HydrophobicContact CG1-CG1 3.78Å
309F87.4Confident78Confident0 Ų053.3 Ų53.30%029%0.286CS..EExtended strand (participates in β ladder)trans-129.3116.4171.3175.6-100.8000109.8I270 Y286 F296 A300 L301 A307 P311I270-F309 HydrophobicContact CB-CD2 4.45Å; I270-F309 HydrophobicContact CD1-CD2 3.85Å; I270-F309 HydrophobicContact CD1-CE2 3.63Å; I270-F309 HydrophobicContact CG1-CD2 3.65Å; I270-F309 HydrophobicContact CG1-CE2 3.86Å; I270-F309 HydrophobicContact CG2-CD2 4.28Å; Y286-F309 HydrophobicContact CD2-CZ 4.17Å; F296-F309 AromaticContact CE1-CE1 3.6Å; F296-F309 HydrophobicContact CE1-CE1 3.6Å; F296-F309 AromaticContact CE1-CZ 3.48Å; F296-F309 HydrophobicContact CE1-CZ 3.48Å; F296-F309 VanDerWaalsContact CE1-CZ 3.48Å; F296-F309 AromaticContact CZ-CE1 3.98Å; F296-F309 HydrophobicContact CZ-CE1 3.98Å; F296-F309 AromaticContact CZ-CZ 3.69Å; F296-F309 HydrophobicContact CZ-CZ 3.69Å; A300-F309 CarbonylContact C-O 3.57Å; A300-F309 WeakPolarHBondContact CA-O 3.38Å; L301-F309 HydrophobicContact CB-CB 4.22Å; L301-F309 PolarHBondContact N-O 2.68Å; L301-F309 PolarHBondContact O-N 3.31Å; A307-F309 PolarHBondContact O-N 2.82Å; F309-P311 HydrophobicContact CD1-CG 4.2Å; F309-P311 HydrophobicContact CE1-CG 3.5Å; F309-P311 VanDerWaalsContact CE1-CG 3.5Å; F309-P311 HydrophobicContact CZ-CG 3.98Å
310I85.8Confident78.2Confident4 Ų449.3 Ų49.32%0.02126%0.259CS..EExtended strand (participates in β ladder)trans-126.2106.2-178.8-57.3171.4000108.3R259 A268 L269 V302 V308 W314 D315R259-I310 HydrophobicContact CG-CD1 3.61Å; R259-I310 VanDerWaalsContact CZ-CD1 3.44Å; A268-I310 CarbonylContact C-O 3.55Å; A268-I310 VanDerWaalsContact CA-O 3.29Å; A268-I310 WeakPolarHBondContact CA-O 3.35Å; A268-I310 WeakPolarHBondContact CB-O 3.33Å; L269-I310 HydrophobicContact CB-CB 4.22Å; L269-I310 HydrophobicContact CB-CD1 4.42Å; L269-I310 HydrophobicContact CD2-CD1 4.18Å; L269-I310 PolarHBondContact N-O 3.46Å; L269-I310 PolarHBondContact O-N 3.3Å; V302-I310 HydrophobicContact CG2-CD1 4.24Å; V302-I310 HydrophobicContact CG2-CG1 3.78Å; V308-I310 HydrophobicContact CG1-CD1 3.75Å; V308-I310 HydrophobicContact CG1-CG1 3.78Å; I310-W314 HydrophobicContact CG2-CB 4.26Å; I310-W314 HydrophobicContact CG2-CE3 4.05Å; I310-D315 HydrophobicContact CG2-CB 4.27Å
311P82.4Confident78Confident9 Ų949.7 Ų49.76%0.05826%0.263CS..  trans-61.4156.8170-22.333.4000112.6Y184 A300 F309 G313 W314Y184-P311 HydrophobicContact CE1-CB 4.42Å; A300-P311 HydrophobicContact CB-CG 4.43Å; F309-P311 HydrophobicContact CD1-CG 4.2Å; F309-P311 HydrophobicContact CE1-CG 3.5Å; F309-P311 VanDerWaalsContact CE1-CG 3.5Å; F309-P311 HydrophobicContact CZ-CG 3.98Å; P311-G313 PolarHBondContact O-N 3.38Å; P311-W314 PolarHBondContact O-N 3.01Å
312A75.1Confident78Confident12 Ų1251 Ų5110%0.09927%0.269CS..THydrogen-bonded Turntrans-63.4135.9169.200000109.3F181 Y184 Y286F181-A312 HydrophobicContact CD2-CB 4.43Å; Y184-A312 WeakPolarHBondContact CD1-O 3.37Å; Y286-A312 PolarHBondContact OH-N 3.1Å
313G70.7Confident77.5Confident34 Ų3450.8 Ų50.835%0.35127%0.266SS..THydrogen-bonded Turntrans91.2-14.7-177.800000115.1P311P311-G313 PolarHBondContact O-N 3.38Å
314W77.5Confident76.7Confident51 Ų5147.3 Ų47.319%0.19324%0.24CC..  trans-76.6-30.6178.7-166.479.4000113.4E186 A300 V302 I310 P311 K319E186-W314 PolarHBondContact OE1-NE1 2.83Å; A300-W314 HydrophobicContact CB-CD2 3.62Å; A300-W314 HydrophobicContact CB-CE3 4.32Å; A300-W314 HydrophobicContact CB-CG 3.75Å; A300-W314 HydrophobicContact CB-CZ2 4.08Å; V302-W314 HydrophobicContact CB-CH2 3.92Å; V302-W314 HydrophobicContact CB-CZ3 4.25Å; V302-W314 HydrophobicContact CG1-CH2 4.19Å; V302-W314 HydrophobicContact CG1-CZ3 4.47Å; V302-W314 HydrophobicContact CG2-CE3 4.17Å; V302-W314 HydrophobicContact CG2-CH2 3.55Å; V302-W314 HydrophobicContact CG2-CZ2 4.43Å; V302-W314 HydrophobicContact CG2-CZ3 3.42Å; V302-W314 VanDerWaalsContact CG2-CZ3 3.42Å; I310-W314 HydrophobicContact CG2-CB 4.26Å; I310-W314 HydrophobicContact CG2-CE3 4.05Å; P311-W314 PolarHBondContact O-N 3.01Å; W314-K319 HydrophobicContact CZ3-CD 4.4Å; W314-K319 PolarHBondContact O-NZ 3.29Å
315D77.4Confident76Confident18 Ų1849.3 Ų49.310%0.09625%0.25CC..  trans-83.8143.1-171.6-1512.8000112.2R259 L263 I310 I320R259-D315 WeakPolarHBondContact CB-OD2 3.41Å; R259-D315 WeakPolarHBondContact CG-OD2 3.24Å; L263-D315 HydrophobicContact CD1-CB 4.5Å; I310-D315 HydrophobicContact CG2-CB 4.27Å; D315-I320 WeakPolarHBondContact OD1-CG1 3.12Å; D315-I320 WeakPolarHBondContact OD2-CD1 3.23Å
316N79.1Confident75.3Confident76 Ų7651.1 Ų51.141%0.40626%0.263SS..  trans-140.3140.6178.4-173.6-31.2000107.7K318 K319 I320N316-K318 PolarHBondContact O-N 3.43Å; N316-K318 PolarHBondContact OD1-N 2.77Å; N316-K318 VanDerWaalsContact OD1-N 3.12Å; N316-K319 HydrophobicContact CB-CB 4.45Å; N316-K319 HydrophobicContact CB-CD 4.28Å; N316-K319 HydrophobicContact CB-CG 4.15Å; N316-K319 WeakPolarHBondContact O-CA 3.26Å; N316-K319 WeakPolarHBondContact O-CB 3.19Å; N316-K319 PolarHBondContact O-N 3.26Å; N316-I320 WeakPolarHBondContact O-CG1 3.29Å; N316-I320 PolarHBondContact O-N 3.29Å
317E75.9Confident74.5Confident70 Ų7049.1 Ų49.133%0.32725%0.251SS..Hα-helixtrans-49.3-36176.1-61.3-177.6-168.900112.2N217 L263 I320 A321N217-E317 WeakPolarHBondContact CB-OE1 3.29Å; N217-E317 VanDerWaalsContact ND2-CD 3.34Å; N217-E317 PolarHBondContact ND2-OE1 2.95Å; N217-E317 PolarHBondContact ND2-OE2 3.38Å; N217-E317 VanDerWaalsContact ND2-OE2 3.17Å; L263-E317 HydrophobicContact CD2-CG 3.55Å; E317-I320 PolarHBondContact O-N 2.78Å; E317-A321 WeakPolarHBondContact O-CB 3.48Å; E317-A321 PolarHBondContact O-N 3.17Å
318K77Confident73.1Confident156 Ų15655.7 Ų55.768%0.67829%0.291SS*.Hα-helixtrans-65.5-40.2175.3-62.2-179.6-177.5177.80113N316 A321 I322N316-K318 PolarHBondContact O-N 3.43Å; N316-K318 PolarHBondContact OD1-N 2.77Å; N316-K318 VanDerWaalsContact OD1-N 3.12Å; K318-A321 WeakPolarHBondContact O-CB 3.39Å; K318-A321 PolarHBondContact O-N 3.39Å; K318-I322 WeakPolarHBondContact O-CG1 3.39Å; K318-I322 PolarHBondContact O-N 3.04Å; K318-I322 VanDerWaalsContact O-N 3.15Å
319K76Confident71.4Confident76 Ų7660.5 Ų60.533%0.3332%0.321SS..Hα-helixtrans-69.2-40.4177.3-67.8179.5-177.2177.80110.6W314 N316 A321W314-K319 HydrophobicContact CZ3-CD 4.4Å; W314-K319 PolarHBondContact O-NZ 3.29Å; N316-K319 HydrophobicContact CB-CB 4.45Å; N316-K319 HydrophobicContact CB-CD 4.28Å; N316-K319 HydrophobicContact CB-CG 4.15Å; N316-K319 WeakPolarHBondContact O-CA 3.26Å; N316-K319 WeakPolarHBondContact O-CB 3.19Å; N316-K319 PolarHBondContact O-N 3.26Å; K319-A321 PolarHBondContact O-N 3.33Å
320I76.4Confident69.7Low10 Ų1061.9 Ų61.95%0.05133%0.329CS..Hα-helixtrans-64.7-34.6172.8-53170.3000109.8R259 L263 D315 N316 E317 L323 H324R259-I320 HydrophobicContact CB-CD1 4.01Å; R259-I320 HydrophobicContact CB-CG1 4.01Å; R259-I320 HydrophobicContact CB-CG2 4.46Å; L263-I320 HydrophobicContact CD2-CD1 3.98Å; D315-I320 WeakPolarHBondContact OD1-CG1 3.12Å; D315-I320 WeakPolarHBondContact OD2-CD1 3.23Å; N316-I320 WeakPolarHBondContact O-CG1 3.29Å; N316-I320 PolarHBondContact O-N 3.29Å; E317-I320 PolarHBondContact O-N 2.78Å; I320-L323 PolarHBondContact O-N 2.97Å; I320-H324 PolarHBondContact O-N 3.16Å; I320-H324 PolarHBondContact O-ND1 2.82Å
321A76.1Confident68.1Low29 Ų2968.6 Ų68.624%0.2436%0.358CS..Hα-helixtrans-64.8-42.3179.900000114.1E317 K318 K319 L323 H324 E325E317-A321 WeakPolarHBondContact O-CB 3.48Å; E317-A321 PolarHBondContact O-N 3.17Å; K318-A321 WeakPolarHBondContact O-CB 3.39Å; K318-A321 PolarHBondContact O-N 3.39Å; K319-A321 PolarHBondContact O-N 3.33Å; A321-L323 PolarHBondContact O-N 2.88Å; A321-H324 WeakPolarHBondContact CA-CE1 3.31Å; A321-H324 WeakPolarHBondContact CA-ND1 3.09Å; A321-H324 CarbonylContact O-C 3.32Å; A321-H324 PolarHBondContact O-CD2 3.25Å; A321-H324 PolarHBondContact O-N 3.16Å; A321-E325 WeakPolarHBondContact O-CB 3.35Å; A321-E325 PolarHBondContact O-N 2.86Å
322I78Confident66.8Low100 Ų10071 Ų7151%0.51337%0.373SS..Hα-helixtrans-60.7-35.1176.9-64.1161.4000111.3K318 H324 E325 N326K318-I322 WeakPolarHBondContact O-CG1 3.39Å; K318-I322 PolarHBondContact O-N 3.04Å; K318-I322 VanDerWaalsContact O-N 3.15Å; I322-H324 VanDerWaalsContact C-N 3.34Å; I322-E325 PolarHBondContact O-N 2.99Å; I322-N326 PolarHBondContact O-ND2 2.93Å
323L69.4Low65.8Low35 Ų3576.9 Ų76.918%0.18340%0.399CS..Hα-helixtrans-67.7-35.8176.9-65.1177.3000112I320 A321I320-L323 PolarHBondContact O-N 2.97Å; A321-L323 PolarHBondContact O-N 2.88Å
324H61.6Low65.1Low66 Ų6678.1 Ų78.131%0.30640%0.397SS..Hα-helixtrans-87.5-15.2176.574.8-123.1000114.6I320 A321 I322 N326 F327I320-H324 PolarHBondContact O-N 3.16Å; I320-H324 PolarHBondContact O-ND1 2.82Å; A321-H324 WeakPolarHBondContact CA-CE1 3.31Å; A321-H324 WeakPolarHBondContact CA-ND1 3.09Å; A321-H324 CarbonylContact O-C 3.32Å; A321-H324 PolarHBondContact O-CD2 3.25Å; A321-H324 PolarHBondContact O-N 3.16Å; I322-H324 VanDerWaalsContact C-N 3.34Å; H324-N326 PolarHBondContact O-N 3.41Å; H324-F327 VanDerWaalsContact CA-CE2 3.46Å; H324-F327 HydrophobicContact CB-CD2 3.62Å; H324-F327 HydrophobicContact CB-CE2 3.76Å; H324-F327 VanDerWaalsContact O-CB 3.23Å; H324-F327 WeakPolarHBondContact O-CB 3.41Å; H324-F327 WeakPolarHBondContact O-CD2 3.42Å; H324-F327 PolarHBondContact O-N 3.4Å
325E58.8Low63.8Low149 Ų14978.7 Ų78.770%0.69641%0.413SS*.Hα-helixtrans-70.1-23.8173.3-167.7176.2179.900111.4A321 I322 F327A321-E325 WeakPolarHBondContact O-CB 3.35Å; A321-E325 PolarHBondContact O-N 2.86Å; I322-E325 PolarHBondContact O-N 2.99Å; E325-F327 PolarHBondContact O-N 3.38Å; E325-F327 VanDerWaalsContact O-N 3.11Å
326N59Low62.8Low108 Ų10880.7 Ų80.758%0.57842%0.419SS*.THydrogen-bonded Turntrans-64.9-7.8167.8-62.7-35.3000112.8I322 H324I322-N326 PolarHBondContact O-ND2 2.93Å; H324-N326 PolarHBondContact O-N 3.41Å
327F56.6Low61.5Low23 Ų2383.2 Ų83.210%0.10143%0.429CS..  trans-87.9117.3169.8-57.2-59000111.4E249 D252 F253 H324 E325 V330E249-F327 HydrophobicContact CB-CD1 4.24Å; E249-F327 HydrophobicContact CB-CE1 3.75Å; E249-F327 HydrophobicContact CG-CD1 4.38Å; E249-F327 HydrophobicContact CG-CE1 4.24Å; E249-F327 WeakPolarHBondContact O-CE1 3.36Å; E249-F327 VanDerWaalsContact O-CZ 3.23Å; E249-F327 WeakPolarHBondContact O-CZ 3.29Å; D252-F327 HydrophobicContact CB-CE1 4.43Å; D252-F327 HydrophobicContact CB-CZ 3.77Å; F253-F327 HydrophobicContact CB-CE2 4.41Å; F253-F327 HydrophobicContact CB-CZ 3.91Å; H324-F327 VanDerWaalsContact CA-CE2 3.46Å; H324-F327 HydrophobicContact CB-CD2 3.62Å; H324-F327 HydrophobicContact CB-CE2 3.76Å; H324-F327 VanDerWaalsContact O-CB 3.23Å; H324-F327 WeakPolarHBondContact O-CB 3.41Å; H324-F327 WeakPolarHBondContact O-CD2 3.42Å; H324-F327 PolarHBondContact O-N 3.4Å; E325-F327 PolarHBondContact O-N 3.38Å; E325-F327 VanDerWaalsContact O-N 3.11Å; F327-V330 HydrophobicContact CB-CB 4.39Å
328T49.7Very low60.2Low143 Ų14385.7 Ų85.788%0.87744%0.444SS*.SBendtrans-78.3-10.5165.7-49.60000112.1
329T48.5Very low59Low102 Ų10281.1 Ų81.163%0.62642%0.424SS*.SBendtrans-126.2-9.4-157.8-33.60000115.5
330V53.6Low58Low28 Ų2877.7 Ų77.717%0.1741%0.409CS..  trans-133.6130.9-165.9-168.80000112.7F253 F327 D334 F339F253-V330 HydrophobicContact CD2-CG1 3.98Å; F253-V330 HydrophobicContact CE2-CG1 3.51Å; F253-V330 HydrophobicContact CZ-CG1 4.48Å; F327-V330 HydrophobicContact CB-CB 4.39Å; V330-D334 HydrophobicContact CG1-CB 4.3Å; V330-F339 HydrophobicContact CB-CE2 4.43Å; V330-F339 HydrophobicContact CB-CZ 4.18Å; V330-F339 HydrophobicContact CG1-CD2 4.1Å; V330-F339 HydrophobicContact CG1-CE2 3.59Å; V330-F339 HydrophobicContact CG1-CZ 3.84Å; V330-F339 HydrophobicContact CG2-CD1 4.21Å; V330-F339 HydrophobicContact CG2-CE1 3.53Å; V330-F339 HydrophobicContact CG2-CE2 4.09Å; V330-F339 HydrophobicContact CG2-CZ 3.46Å; V330-F339 VanDerWaalsContact CG2-CZ 3.46Å
331K52.2Low56.9Low146 Ų14682.1 Ų82.164%0.63544%0.437SS*.  trans-85.4150.9171.3-70.9174.8-178.1170.20110.8E333 D334K331-E333 PolarHBondContact O-N 3.06Å; K331-D334 WeakPolarHBondContact CB-OD2 3.25Å; K331-D334 PolarHBondContact N-OD2 3.41Å; K331-D334 PolarHBondContact O-N 3.09Å; K331-D334 VanDerWaalsContact O-N 3.11Å
332P54.7Low55.9Low58 Ų5885.9 Ų85.938%0.37745%0.448SS..THydrogen-bonded Turntrans-65.82.7-178.727.9-36.8000115.2R260R260-P332 PolarHBondContact NH1-O 2.84Å; R260-P332 VanDerWaalsContact NH1-O 3.08Å
333E54Low54.7Low136 Ų13682.8 Ų82.864%0.63643%0.434SS*.THydrogen-bonded Turntrans-127.82.3-177.9-53.7-58.8157.900112.2R260 K331R260-E333 IonicContact CZ-OE1 2.76Å; R260-E333 VanDerWaalsContact CZ-OE1 3.25Å; R260-E333 IonicContact NH1-OE1 2.78Å; R260-E333 PolarHBondContact NH1-OE1 3.28Å; R260-E333 IonicContact NH1-OE2 3.25Å; R260-E333 IonicContact NH2-OE1 2.74Å; R260-E333 PolarHBondContact NH2-OE1 2.73Å; K331-E333 PolarHBondContact O-N 3.06Å
334D54.8Low53.7Low61 Ų6186.5 Ų86.533%0.32646%0.46SS..SBendtrans-71.3135.8177.3-70.3-26.8000109.6V330 K331 Y336 F339V330-D334 HydrophobicContact CG1-CB 4.3Å; K331-D334 WeakPolarHBondContact CB-OD2 3.25Å; K331-D334 PolarHBondContact N-OD2 3.41Å; K331-D334 PolarHBondContact O-N 3.09Å; K331-D334 VanDerWaalsContact O-N 3.11Å; D334-Y336 PolarHBondContact O-N 3.33Å; D334-F339 HydrophobicContact CB-CE2 3.93Å
335A52.1Low53.1Low62 Ų6289.3 Ų89.351%0.51248%0.482SS..  trans-59.1128.8-167.900000111.6E337 D338A335-E337 PolarHBondContact O-N 2.83Å; A335-D338 WeakPolarHBondContact O-CB 2.96Å; A335-D338 PolarHBondContact O-N 3.37Å
336Y55.6Low52.4Low61 Ų6193.1 Ų93.124%0.23949%0.49CS..Hα-helixtrans-49.7-28.1172.4-66-90.5000113.7M146 F253 H257 D334 D338 I340M146-Y336 HydrophobicContact CB-CE1 4.47Å; M146-Y336 HydrophobicContact CB-CE2 4.48Å; M146-Y336 HydrophobicContact CE-CE1 4.37Å; M146-Y336 HydrophobicContact CE-CE2 4.23Å; M146-Y336 WeakPolarHBondContact CE-OH 3.1Å; M146-Y336 HydrophobicContact CG-CD1 3.81Å; M146-Y336 HydrophobicContact CG-CD2 4.5Å; M146-Y336 HydrophobicContact CG-CE1 3.43Å; M146-Y336 VanDerWaalsContact CG-CE1 3.43Å; M146-Y336 HydrophobicContact CG-CE2 4.17Å; M146-Y336 HydrophobicContact CG-CG 4.32Å; M146-Y336 HydrophobicContact SD-CE1 3.97Å; M146-Y336 PolarHBondContact SD-OH 2.73Å; F253-Y336 HydrophobicContact CD1-CD1 4.47Å; F253-Y336 AromaticContact CE1-CD1 3.6Å; F253-Y336 HydrophobicContact CE1-CD1 3.6Å; F253-Y336 AromaticContact CE1-CE1 3.8Å; F253-Y336 HydrophobicContact CE1-CE1 3.8Å; F253-Y336 HydrophobicContact CE1-CG 4.38Å; F253-Y336 HydrophobicContact CZ-CD1 4.39Å; F253-Y336 HydrophobicContact CZ-CE1 4.46Å; H257-Y336 HydrophobicContact CB-CE1 3.65Å; H257-Y336 WeakPolarHBondContact CB-OH 3.34Å; H257-Y336 AromaticContact CD2-CE1 3.75Å; H257-Y336 AromaticContact CD2-CZ 3.31Å; H257-Y336 PolarHBondContact CD2-OH 3.5Å; H257-Y336 AromaticContact CG-CE1 3.38Å; H257-Y336 AromaticContact CG-CZ 3.42Å; H257-Y336 VanDerWaalsContact CG-CZ 3.42Å; H257-Y336 AromaticContact ND1-CE1 3.82Å; D334-Y336 PolarHBondContact O-N 3.33Å; Y336-D338 VanDerWaalsContact C-N 3.26Å; Y336-D338 PolarHBondContact O-N 2.92Å; Y336-I340 WeakPolarHBondContact O-CB 3.39Å; Y336-I340 PolarHBondContact O-N 3.36Å
337E52.2Low51.3Low128 Ų12896.5 Ų96.560%0.59850%0.5SS*.Hα-helixtrans-70.8-19.9178.9-60.7-154.2134.300113.5A335 K342A335-E337 PolarHBondContact O-N 2.83Å; E337-K342 WeakPolarHBondContact OE1-CE 3.48Å; E337-K342 IonicContact OE1-NZ 2.67Å; E337-K342 PolarHBondContact OE1-NZ 3.26Å
338D47.8Very low50.6Low122 Ų122101.4 Ų101.465%0.65253%0.526SS*.Hα-helixtrans-84.4-34.4-179.7-155.323.4000111.8A335 Y336A335-D338 WeakPolarHBondContact O-CB 2.96Å; A335-D338 PolarHBondContact O-N 3.37Å; Y336-D338 VanDerWaalsContact C-N 3.26Å; Y336-D338 PolarHBondContact O-N 2.92Å
339F51.3Low50.5Low61 Ų61100.8 Ų100.827%0.26852%0.522SS..Hα-helixtrans-95.8-23.2-179.6-70.6-79000113.9V330 D334V330-F339 HydrophobicContact CB-CE2 4.43Å; V330-F339 HydrophobicContact CB-CZ 4.18Å; V330-F339 HydrophobicContact CG1-CD2 4.1Å; V330-F339 HydrophobicContact CG1-CE2 3.59Å; V330-F339 HydrophobicContact CG1-CZ 3.84Å; V330-F339 HydrophobicContact CG2-CD1 4.21Å; V330-F339 HydrophobicContact CG2-CE1 3.53Å; V330-F339 HydrophobicContact CG2-CE2 4.09Å; V330-F339 HydrophobicContact CG2-CZ 3.46Å; V330-F339 VanDerWaalsContact CG2-CZ 3.46Å; D334-F339 HydrophobicContact CB-CE2 3.93Å
340I56.1Low50.3Low3 Ų3104.4 Ų104.42%0.01553%0.531CS..SBendtrans-11678.6175.5-47.9176.5000107.8W143 Y246 I254 Y336 K342W143-I340 HydrophobicContact CB-CB 4.37Å; W143-I340 HydrophobicContact CB-CG2 3.84Å; W143-I340 HydrophobicContact CE3-CG2 3.95Å; Y246-I340 HydrophobicContact CE1-CG2 4.42Å; I254-I340 HydrophobicContact CD1-CD1 4.05Å; I254-I340 HydrophobicContact CG1-CD1 3.92Å; Y336-I340 WeakPolarHBondContact O-CB 3.39Å; Y336-I340 PolarHBondContact O-N 3.36Å; I340-K342 PolarHBondContact O-N 2.83Å
341V53.4Low49.8Very low104 Ų104108.8 Ų108.863%0.6355%0.554SS**  trans-56.2114171.1-178.80000107.4P343V341-P343 VanDerWaalsContact O-N 3.13Å
342K55.3Low49.6Very low107 Ų107110.8 Ų110.847%0.46556%0.562SS.*  trans-46.9124.6170.5-68.7171.4-172.6162.80106.5W143 E337 I340 P344W143-K342 HydrophobicContact CG-CG 4.28Å; E337-K342 WeakPolarHBondContact OE1-CE 3.48Å; E337-K342 IonicContact OE1-NZ 2.67Å; E337-K342 PolarHBondContact OE1-NZ 3.26Å; I340-K342 PolarHBondContact O-N 2.83Å; K342-P344 WeakPolarHBondContact O-CD 3.47Å
343P51.5Low49.2Very low36 Ų36116.7 Ų116.723%0.23459%0.585CS.*  trans-48.2121.7173.8-2835000107W143 V341 V345W143-P343 HydrophobicContact CH2-CG 3.51Å; W143-P343 HydrophobicContact CZ2-CG 4.29Å; W143-P343 HydrophobicContact CZ3-CG 3.67Å; V341-P343 VanDerWaalsContact O-N 3.13Å; P343-V345 PolarHBondContact O-N 3.12Å
344P48.3Very low49.2Very low112 Ų112117.4 Ų117.473%0.72759%0.593SS**  trans-56.8112.5178.121.3-30.4000104.6K342 R346K342-P344 WeakPolarHBondContact O-CD 3.47Å; P344-R346 PolarHBondContact O-N 3.19Å
345V49.5Very low49.4Very low126 Ų126118.6 Ų118.676%0.76461%0.611SS**  trans-43.4106.9179.8-93.30000105.9P343 K347P343-V345 PolarHBondContact O-N 3.12Å; V345-K347 PolarHBondContact O-N 2.93Å
346R43.2Very low49.8Very low229 Ų229120.2 Ų120.286%0.86462%0.624SS**  trans-57.5101.2172.4-80.9-177.7170.8130.2-1.7102.8P344P344-R346 PolarHBondContact O-N 3.19Å
347K37.8Very low50.4Low179 Ų179122.9 Ų122.978%0.77864%0.639SS**  trans5.5122.7-179.6-62.2174.7178.8177.10112.4V345 V349V345-K347 PolarHBondContact O-N 2.93Å; K347-V349 VanDerWaalsContact C-N 3.3Å; K347-V349 WeakPolarHBondContact O-CG2 3.45Å; K347-V349 PolarHBondContact O-N 3.17Å
348L40.1Very low51.5Low126 Ų126122.3 Ų122.366%0.6664%0.64SS**  trans-41.499.7161-78.3100000109H350 D351L348-H350 PolarHBondContact O-N 3.31Å; L348-D351 HydrophobicContact CD2-CB 3.78Å
349V47.8Very low52.8Low130 Ų130124 Ų12479%0.78864%0.644SS**THydrogen-bonded Turntrans-78.7-12.7-175.91750000109.5K347K347-V349 VanDerWaalsContact C-N 3.3Å; K347-V349 WeakPolarHBondContact O-CG2 3.45Å; K347-V349 PolarHBondContact O-N 3.17Å
350H44.7Very low53.8Low177 Ų177127.2 Ų127.282%0.81966%0.659SS**THydrogen-bonded Turntrans-142.681.1169.2-102.541000108.4L348L348-H350 PolarHBondContact O-N 3.31Å
351D42.7Very low54.7Low120 Ų120131.2 Ų131.264%0.64268%0.684SS**  trans-175.869.1143.6-86.2-32.3000106.4L348 E353L348-D351 HydrophobicContact CD2-CB 3.78Å; D351-E353 PolarHBondContact O-N 3.48Å; D351-E353 VanDerWaalsContact O-N 3.15Å
352K48Very low55.8Low188 Ų188131.2 Ų131.282%0.81768%0.676SS**  trans-67.4100.2138.9-82-178.4176.1-177.70103.4L354K352-L354 HydrophobicContact CB-CG 4.43Å; K352-L354 PolarHBondContact O-N 3.32Å
353E47Very low56.9Low183 Ų183131.3 Ų131.386%0.85568%0.681SS**  trans-51.988.9144.2-75.9-174.9153.400105.5D351 A355D351-E353 PolarHBondContact O-N 3.48Å; D351-E353 VanDerWaalsContact O-N 3.15Å; E353-A355 PolarHBondContact O-N 2.83Å
354L55.2Low58.3Low151 Ų151135.5 Ų135.579%0.79170%0.699SS**  trans-6693.3160.9-91.5153000102.8K352 A356K352-L354 HydrophobicContact CB-CG 4.43Å; K352-L354 PolarHBondContact O-N 3.32Å; L354-A356 VanDerWaalsContact C-N 3.27Å; L354-A356 PolarHBondContact O-N 3.07Å
355A58.6Low59.8Low86 Ų86136.4 Ų136.471%0.71169%0.691SS**  trans-49.9105.7159.400000105.4E353 E357E353-A355 PolarHBondContact O-N 2.83Å; A355-E357 PolarHBondContact O-N 3.5Å
356A60.7Low61.3Low95 Ų95135.4 Ų135.479%0.78568%0.678SS**  trans-56.8115.2175.200000105.6L354 D358L354-A356 VanDerWaalsContact C-N 3.27Å; L354-A356 PolarHBondContact O-N 3.07Å; A356-D358 PolarHBondContact O-N 3.06Å
357E67.1Low63.1Low118 Ų118130.9 Ų130.955%0.55167%0.667SS**  trans-54.3127.2171.6-68.2-175.8172.900106.8A355 E359A355-E357 PolarHBondContact O-N 3.5Å; E357-E359 PolarHBondContact O-N 2.91Å
358D75.9Confident65.2Low116 Ų116125.1 Ų125.162%0.6265%0.649SS**  trans-50.8129.2-179.3-163.25.4000109A356 Q360 V361 F362A356-D358 PolarHBondContact O-N 3.06Å; D358-Q360 PolarHBondContact O-N 3.19Å; D358-V361 HydrophobicContact CB-CG2 4.23Å; D358-V361 PolarHBondContact O-N 2.67Å; D358-F362 PolarHBondContact O-N 3.31Å
359E73.8Confident67Low158 Ų158125.2 Ų125.274%0.73865%0.65SS**Hα-helixtrans-54.9-31.1-166.3-67.3-177167.200111.7E357 L363E357-E359 PolarHBondContact O-N 2.91Å; E359-L363 WeakPolarHBondContact O-CB 3.25Å; E359-L363 WeakPolarHBondContact O-CD1 3.1Å; E359-L363 PolarHBondContact O-N 2.78Å
360Q74Confident68.3Low127 Ų127124.9 Ų124.959%0.59364%0.643SS**Hα-helixtrans-65.8-38.9175.1-79.8-73.9-6.100113.9D358 M364D358-Q360 PolarHBondContact O-N 3.19Å; Q360-M364 WeakPolarHBondContact O-CB 3.47Å; Q360-M364 WeakPolarHBondContact O-CG 3.29Å; Q360-M364 PolarHBondContact O-N 3.11Å
361V74.4Confident69.8Low87 Ų87120.5 Ų120.553%0.52764%0.637SS.*Hα-helixtrans-72.7-40.1178.9-1790000110.1D358 K365D358-V361 HydrophobicContact CB-CG2 4.23Å; D358-V361 PolarHBondContact O-N 2.67Å; V361-K365 WeakPolarHBondContact O-CB 3.29Å; V361-K365 PolarHBondContact O-N 2.83Å
362F75.5Confident71Confident105 Ų105123.3 Ų123.346%0.46164%0.644SS.*Hα-helixtrans-63-46173.4-177.4-100.6000111.5D358 K365 Q366D358-F362 PolarHBondContact O-N 3.31Å; F362-K365 PolarHBondContact O-N 3.33Å; F362-Q366 PolarHBondContact O-N 2.82Å
363L78.3Confident71.2Confident109 Ų109121.4 Ų121.457%0.57164%0.638SS**Hα-helixtrans-63.2-44.1176.5-105.5105.3000112.8E359 K365 Q366 Q367E359-L363 WeakPolarHBondContact O-CB 3.25Å; E359-L363 WeakPolarHBondContact O-CD1 3.1Å; E359-L363 PolarHBondContact O-N 2.78Å; L363-K365 VanDerWaalsContact C-N 3.31Å; L363-K365 PolarHBondContact O-N 3.01Å; L363-Q366 PolarHBondContact O-N 3.05Å; L363-Q367 VanDerWaalsContact O-CB 3.31Å; L363-Q367 WeakPolarHBondContact O-CB 3.37Å; L363-Q367 PolarHBondContact O-N 3.44Å
364M80.8Confident71.1Confident124 Ų124117.9 Ų117.961%0.61163%0.631SS**Hα-helixtrans-62.7-38.5177.3-81.1-166.8176.600112Q360 Q367 S368Q360-M364 WeakPolarHBondContact O-CB 3.47Å; Q360-M364 WeakPolarHBondContact O-CG 3.29Å; Q360-M364 PolarHBondContact O-N 3.11Å; M364-Q367 PolarHBondContact O-N 2.76Å; M364-S368 WeakPolarHBondContact O-CB 3.23Å; M364-S368 PolarHBondContact O-N 3.08Å; M364-S368 PolarHBondContact O-OG 3.05Å
365K81Confident70.5Confident131 Ų131115.5 Ų115.557%0.5763%0.633SS**Hα-helixtrans-63.3-46.6175.3-172.9171.8177.3176.20111V361 F362 L363 S368 L369V361-K365 WeakPolarHBondContact O-CB 3.29Å; V361-K365 PolarHBondContact O-N 2.83Å; F362-K365 PolarHBondContact O-N 3.33Å; L363-K365 VanDerWaalsContact C-N 3.31Å; L363-K365 PolarHBondContact O-N 3.01Å; K365-S368 PolarHBondContact O-N 2.97Å; K365-S368 PolarHBondContact O-OG 3.14Å; K365-L369 PolarHBondContact O-N 2.72Å; K365-L369 VanDerWaalsContact O-N 3.09Å
366Q80.5Confident70Confident104 Ų104117.5 Ų117.549%0.48664%0.636SS.*Hα-helixtrans-62.8-41.6176.2-154.592.9-700112F362 L363 L369 L370F362-Q366 PolarHBondContact O-N 2.82Å; L363-Q366 PolarHBondContact O-N 3.05Å; Q366-L369 WeakPolarHBondContact O-CB 3.03Å; Q366-L369 PolarHBondContact O-N 3.18Å; Q366-L370 PolarHBondContact O-N 2.74Å; Q366-L370 VanDerWaalsContact O-N 3.07Å
367Q81.2Confident68.9Low134 Ų134118.7 Ų118.763%0.62664%0.636SS**Hα-helixtrans-67-40.1178.4-170.9177.617.600111.9L363 M364 L369 L370 A371L363-Q367 VanDerWaalsContact O-CB 3.31Å; L363-Q367 WeakPolarHBondContact O-CB 3.37Å; L363-Q367 PolarHBondContact O-N 3.44Å; M364-Q367 PolarHBondContact O-N 2.76Å; Q367-L369 VanDerWaalsContact C-N 3.3Å; Q367-L369 PolarHBondContact O-N 2.99Å; Q367-L370 PolarHBondContact O-N 2.81Å; Q367-A371 WeakPolarHBondContact O-CB 3.41Å; Q367-A371 PolarHBondContact O-N 2.78Å
368S81.3Confident67.7Low59 Ų59119.6 Ų119.641%0.41365%0.65SS.*Hα-helixtrans-67-31.1175.6760000112.8M364 K365 K372M364-S368 WeakPolarHBondContact O-CB 3.23Å; M364-S368 PolarHBondContact O-N 3.08Å; M364-S368 PolarHBondContact O-OG 3.05Å; K365-S368 PolarHBondContact O-N 2.97Å; K365-S368 PolarHBondContact O-OG 3.14Å; S368-K372 WeakPolarHBondContact O-CB 3.08Å; S368-K372 PolarHBondContact O-N 2.66Å; S368-K372 VanDerWaalsContact O-N 3.08Å
369L79Confident65.8Low127 Ų127125.6 Ų125.667%0.66566%0.664SS**Hα-helixtrans-69.1-42.2174.6-162.991.6000111.1K365 Q366 Q367 K372 Q373K365-L369 PolarHBondContact O-N 2.72Å; K365-L369 VanDerWaalsContact O-N 3.09Å; Q366-L369 WeakPolarHBondContact O-CB 3.03Å; Q366-L369 PolarHBondContact O-N 3.18Å; Q367-L369 VanDerWaalsContact C-N 3.3Å; Q367-L369 PolarHBondContact O-N 2.99Å; L369-K372 PolarHBondContact O-N 3.01Å; L369-Q373 PolarHBondContact O-N 3.44Å
370L75.6Confident64Low124 Ų124122.4 Ų122.465%0.64967%0.665SS**Hα-helixtrans-65.6-40.2174.7-110.9153000112.1Q366 Q367 K372 Q373Q366-L370 PolarHBondContact O-N 2.74Å; Q366-L370 VanDerWaalsContact O-N 3.07Å; Q367-L370 PolarHBondContact O-N 2.81Å; L370-K372 VanDerWaalsContact C-N 3.29Å; L370-K372 PolarHBondContact O-N 3.43Å; L370-Q373 PolarHBondContact O-N 3.06Å
371A74.7Confident62.5Low85 Ų85121 Ų12170%0.70267%0.668SS**Hα-helixtrans-70.8-22.8176.600000113.7Q367 Q373Q367-A371 WeakPolarHBondContact O-CB 3.41Å; Q367-A371 PolarHBondContact O-N 2.78Å; A371-Q373 VanDerWaalsContact C-N 3.35Å
372K68.5Low60.9Low179 Ų179125.5 Ų125.578%0.77868%0.684SS**THydrogen-bonded Turntrans-83.8-7.2174.1-93.7168.7176168.40113.7S368 L369 L370 P374S368-K372 WeakPolarHBondContact O-CB 3.08Å; S368-K372 PolarHBondContact O-N 2.66Å; S368-K372 VanDerWaalsContact O-N 3.08Å; L369-K372 PolarHBondContact O-N 3.01Å; L370-K372 VanDerWaalsContact C-N 3.29Å; L370-K372 PolarHBondContact O-N 3.43Å; K372-P374 WeakPolarHBondContact O-CD 3.49Å
373Q53.1Low59.1Low147 Ų147125.9 Ų125.969%0.68770%0.7SS**SBendtrans-83.9118172.8-128.5-177.33.400109.3L369 L370 A371 A375L369-Q373 PolarHBondContact O-N 3.44Å; L370-Q373 PolarHBondContact O-N 3.06Å; A371-Q373 VanDerWaalsContact C-N 3.35Å; Q373-A375 PolarHBondContact O-N 2.89Å
374P44Very low57.3Low110 Ų110126.4 Ų126.471%0.71471%0.71SS**  trans-71.1125.3-179.228.3-30.9000109.3K372 T376K372-P374 WeakPolarHBondContact O-CD 3.49Å; P374-T376 PolarHBondContact O-N 3.11Å
375A42.5Very low55.2Low100 Ų100124.9 Ų124.983%0.82672%0.716SS**  trans-59.6105.9171.900000109.6Q373Q373-A375 PolarHBondContact O-N 2.89Å
376T47.2Very low53.3Low128 Ų128130.3 Ų130.379%0.78573%0.733SS**  trans-69.8125.4170.542.30000109.7P374P374-T376 PolarHBondContact O-N 3.11Å
377P38.4Very low51.2Low120 Ų120128.8 Ų128.878%0.77975%0.746SS**  trans-91.6125.4-177.634.2-29.1000110.7
378T42.6Very low49.4Very low138 Ų138128.3 Ų128.385%0.84775%0.754SS**  trans-135.783.4164.944.60000111
379R35Very low47.1Very low242 Ų242131.6 Ų131.691%0.91378%0.777SS**  25.3126.5125.1-169.3169.7-177.6179.51.3119.2
380A36.6Very low45.1Very low91 Ų91128.8 Ų128.875%0.75278%0.779SS**  trans98.8111.3141.700000120
381S42.3Very low43.7Very low96 Ų96128.4 Ų128.467%0.67179%0.787SS**  121.8107.4124.6-169.50000114.9
382E40.7Very low42.2Very low182 Ų182129.3 Ų129.385%0.8579%0.785SS**  trans78.995.9140.8-67.7170.9-164.100120.4
383S38.1Very low40.7Very low114 Ų114131.4 Ų131.480%0.79779%0.788SS**  trans-64.1-177.9151.3-320000112.1
384P41Very low40Very low120 Ų120128.7 Ų128.778%0.77978%0.782SS**  cis-137.8177.9-24.425-1.4000113.9
385A36.4Very low39.9Very low91 Ų91132.4 Ų132.475%0.75279%0.79SS**  trans94.4102.2145.100000119.8
386R39.9Very low39.4Very low246 Ų246131 Ų13193%0.92878%0.784SS**  167.2119.4108.9-96.8175.5167.8173.8-3.7109.4
387G37.7Very low38.8Very low72 Ų72137.3 Ų137.374%0.74279%0.794SS**  trans-80.4-151.5169.500000111.9
388P42.3Very low38.6Very low124 Ų124135.3 Ų135.381%0.80580%0.795SS**  cis-134.4174.3-2539-22.9000113.2
389S33.4Very low38Very low128 Ų128132.2 Ų132.290%0.89579%0.791SS**  trans70.6124.9142.8-159.30000121
390G37.7Very low38.4Very low68 Ų68126.9 Ų126.970%0.70179%0.787SS**  trans137.181.3146.200000116.9
391S46.3Very low38.3Very low116 Ų116127 Ų12781%0.81179%0.788SS**  trans26.3163.8132.4-89.20000122.5
392P42.8Very low38.1Very low103 Ų103128 Ų12867%0.66980%0.795SS**  cis-144.1177.4-31.337.9-19.3000114.2
393R37.3Very low38.2Very low223 Ų223125.5 Ų125.584%0.84279%0.792SS**  trans50.5142.1144.8-76.3176.183.4150.61.1119.2
394T38.5Very low38.3Very low91 Ų91125.7 Ų125.756%0.55879%0.79SS**  cis-176.5153.711.4170000108.1
395Q40.8Very low38Very low188 Ų188125.1 Ų125.188%0.87979%0.79SS**  trans64.4131.5150.9-68.2170.5-3.300116.3
396G32.9Very low38.1Very low69 Ų69126 Ų12671%0.71179%0.79SS**  cis15115514.800000107.3
397R33.5Very low38.3Very low262 Ų262119.8 Ų119.899%0.98978%0.784SS**  trans81.3117165.2-160175.1-172.8178.61.3117.3
398G34Very low38.5Very low77 Ų77122.6 Ų122.679%0.79479%0.789SS**  trans145.794.6145.300000116.7
399G31.1Very low38.4Very low74 Ų74120 Ų12076%0.76379%0.785SS**  trans90.4164.9131.800000119.5
400P43.2Very low38.6Very low130 Ų130120.6 Ų120.684%0.84478%0.783SS**  trans-123.9-166.3-136.537.1-19000113.6
401A35Very low38.7Very low94 Ų94123.4 Ų123.478%0.77779%0.792SS**  trans95112.7165.300000117
402S37.9Very low38.3Very low115 Ų115124.3 Ų124.380%0.80479%0.793SS**  161.3132.590.375.90000111.6
403V42.5Very low38.2Very low131 Ų131128.7 Ų128.779%0.79480%0.801SS**  trans-36.7169.2158.9-67.70000115.2
404P39.5Very low38.3Very low117 Ų117127.2 Ų127.276%0.7680%0.801SS**  cis-156.2167.134.241.3-17.3000121.8
405S35.9Very low38.5Very low109 Ų109128.7 Ų128.776%0.76281%0.812SS**  trans59122.6132.1-171.60000124.9
406S39Very low38.4Very low109 Ų109127.7 Ų127.776%0.76281%0.813SS**  152.7103.2123.262.20000111.2
407S43.9Very low38.7Very low115 Ų115130.1 Ų130.180%0.80482%0.816SS**  62.4157.779.9-58.70000116.9
408P42Very low39Very low131 Ų131124.6 Ų124.685%0.85181%0.806SS**  -143175.9-54.339.8-22000114.5
409G38.9Very low39.7Very low69 Ų69127.9 Ų127.971%0.71180%0.804SS**  trans165.582.6162.600000121.9
410T39Very low40.2Very low141 Ų141133.4 Ų133.487%0.86581%0.807SS**  trans51.1122.7130.966.10000125
411S39.6Very low39.8Very low127 Ų127134.6 Ų134.689%0.88881%0.806SS**  -161.1139122.156.90000111.4
412V37Very low40.1Very low135 Ų135137.5 Ų137.582%0.81881%0.809SS**  trans-113.6139.2-167.3167.80000109.9
413K41.7Very low40.5Very low196 Ų196135.4 Ų135.485%0.85280%0.798SS**  trans-167.1108.3143-108.2170.5-174.4-178.70113.5
414K39.4Very low40.8Very low192 Ų192133.6 Ų133.684%0.83580%0.797SS**  trans55.6119.4142.6-66.4-178.4173.1-1740121.9
415P41.2Very low41.5Very low121 Ų121132.2 Ų132.279%0.78679%0.79SS**  trans-113.1136.2155.834.5-21000112.8
416D39.8Very low43.2Very low167 Ų167133.7 Ų133.789%0.89379%0.785SS**  trans-89.5131.7168.1-72.6-47.9000110.4
417P39.2Very low45Very low121 Ų121130.3 Ų130.379%0.78677%0.767SS**  trans-112.2121.2170.734.4-21.6000111.1
418N38.9Very low46.7Very low145 Ų145129.7 Ų129.778%0.77576%0.758SS**  trans-155.2145.4160.5-154.1-0.5000112.1
419I48.6Very low48.5Very low147 Ų147128.6 Ų128.675%0.75475%0.745SS**  trans8881.5168-49.5163.5000114.2
420K41.3Very low50.3Low190 Ų190127.5 Ų127.583%0.82673%0.729SS**  54.397.780.2-80.1-175.5173.31770115.4
421N35.5Very low52.2Low155 Ų155124.4 Ų124.483%0.82971%0.713SS**  148.195.1129.3-97.68000111.2
422N40.4Very low54.3Low155 Ų155124.6 Ų124.683%0.82970%0.698SS**SBendtrans175.617.3141.4-112.816.1000114.5A424N422-A424 PolarHBondContact O-N 2.97Å
423A47Very low56.4Low71 Ų71124.6 Ų124.659%0.58769%0.688SS**THydrogen-bonded Turntrans-89.611.4-170.300000115.9S425 G427A423-S425 PolarHBondContact O-N 2.87Å; A423-G427 PolarHBondContact O-N 3.32Å
424A49.2Very low58.3Low92 Ų92120.3 Ų120.376%0.7667%0.674SS**THydrogen-bonded Turntrans-72.3-28.5-17200000113.9N422 V428N422-A424 PolarHBondContact O-N 2.97Å; A424-V428 WeakPolarHBondContact O-CG2 3.49Å
425S54.6Low60.2Low88 Ų88114.5 Ų114.562%0.61566%0.657SS**THydrogen-bonded Turntrans-91.3-31.1176.952.40000113A423 L429A423-S425 PolarHBondContact O-N 2.87Å; S425-L429 PolarHBondContact O-N 2.74Å
426E71.5Confident61.8Low141 Ų141113.5 Ų113.566%0.65965%0.645SS**Hα-helixtrans-75.1-35.3-178.9-157.4179.9-172.900112.1V428 L429 A430E426-V428 VanDerWaalsContact C-N 3.3Å; E426-V428 PolarHBondContact O-N 2.92Å; E426-L429 PolarHBondContact O-N 2.69Å; E426-A430 WeakPolarHBondContact O-CB 3.12Å; E426-A430 PolarHBondContact O-N 3.15Å
427G75.9Confident63.4Low38 Ų38111.9 Ų111.939%0.39264%0.636SS.*Hα-helixtrans-64.9-31.4176.100000114A423 S431A423-G427 PolarHBondContact O-N 3.32Å; G427-S431 WeakPolarHBondContact O-CB 3.46Å; G427-S431 PolarHBondContact O-N 2.7Å; G427-S431 PolarHBondContact O-OG 2.84Å; G427-S431 VanDerWaalsContact O-OG 3.1Å
428V80Confident64.9Low101 Ų101110.7 Ų110.761%0.61263%0.63SS**Hα-helixtrans-72.6-43.5175.6-179.20000110.4A424 E426 S431 F432A424-V428 WeakPolarHBondContact O-CG2 3.49Å; E426-V428 VanDerWaalsContact C-N 3.3Å; E426-V428 PolarHBondContact O-N 2.92Å; V428-S431 PolarHBondContact O-N 2.99Å; V428-F432 WeakPolarHBondContact O-CB 3.32Å; V428-F432 PolarHBondContact O-N 3.04Å
429L80.1Confident65.6Low108 Ų108112.8 Ų112.857%0.56563%0.633SS**Hα-helixtrans-66.9-39.3176.4-69.7174000112.4S425 E426 F432 F433S425-L429 PolarHBondContact O-N 2.74Å; E426-L429 PolarHBondContact O-N 2.69Å; L429-F432 PolarHBondContact O-N 2.81Å; L429-F433 PolarHBondContact O-N 3.18Å
430A76Confident65.4Low47 Ų47114.3 Ų114.339%0.38863%0.634SS.*Hα-helixtrans-67.2-37.8175.700000112.3E426 F432 N434E426-A430 WeakPolarHBondContact O-CB 3.12Å; E426-A430 PolarHBondContact O-N 3.15Å; A430-F432 VanDerWaalsContact C-N 3.35Å; A430-N434 WeakPolarHBondContact O-CB 3.42Å; A430-N434 PolarHBondContact O-N 3.27Å; A430-N434 PolarHBondContact O-ND2 3.35Å
431S78.3Confident65.3Low76 Ų76112.4 Ų112.453%0.53164%0.638SS.*Hα-helixtrans-68.3-34.2172.3-70.40000112.5G427 V428 S435G427-S431 WeakPolarHBondContact O-CB 3.46Å; G427-S431 PolarHBondContact O-N 2.7Å; G427-S431 PolarHBondContact O-OG 2.84Å; G427-S431 VanDerWaalsContact O-OG 3.1Å; V428-S431 PolarHBondContact O-N 2.99Å; S431-S435 VanDerWaalsContact O-CB 3.29Å; S431-S435 WeakPolarHBondContact O-CB 3.45Å; S431-S435 PolarHBondContact O-N 3Å; S431-S435 PolarHBondContact O-OG 3.2Å
432F83.9Confident65.4Low131 Ų131108.9 Ų108.958%0.57564%0.639SS**Hα-helixtrans-67.3-45.2175.7-166.2-98.4000111.6V428 L429 A430 S435 L436V428-F432 WeakPolarHBondContact O-CB 3.32Å; V428-F432 PolarHBondContact O-N 3.04Å; L429-F432 PolarHBondContact O-N 2.81Å; A430-F432 VanDerWaalsContact C-N 3.35Å; F432-S435 PolarHBondContact O-N 3.29Å; F432-L436 HydrophobicContact CD1-CD1 3.62Å; F432-L436 HydrophobicContact CE1-CD1 3.4Å; F432-L436 HydrophobicContact CE1-CG 4.36Å; F432-L436 HydrophobicContact CZ-CD1 4.24Å; F432-L436 PolarHBondContact O-N 2.82Å
433F82.9Confident65.3Low135 Ų135107.2 Ų107.259%0.59264%0.639SS**Hα-helixtrans-67.6-40.4175.7-97.4-84.3000112.8L429 S435 L436 L437L429-F433 PolarHBondContact O-N 3.18Å; F433-S435 VanDerWaalsContact C-N 3.29Å; F433-S435 PolarHBondContact O-N 2.93Å; F433-L436 PolarHBondContact O-N 3.38Å; F433-L437 WeakPolarHBondContact O-CB 3.36Å; F433-L437 WeakPolarHBondContact O-CG 3.31Å; F433-L437 PolarHBondContact O-N 2.96Å
434N80.3Confident64.8Low105 Ų105110 Ų11056%0.56165%0.651SS**Hα-helixtrans-65.2-34.2173.9-81.3-48.8000112.2A430 S438A430-N434 WeakPolarHBondContact O-CB 3.42Å; A430-N434 PolarHBondContact O-N 3.27Å; A430-N434 PolarHBondContact O-ND2 3.35Å; N434-S438 WeakPolarHBondContact O-CB 3.37Å; N434-S438 PolarHBondContact O-N 2.83Å; N434-S438 PolarHBondContact O-OG 3.4Å
435S79.8Confident64.3Low70 Ų70109.1 Ų109.149%0.4965%0.651SS.*Hα-helixtrans-69.7-34.1172.9-67.50000112.4S431 F432 F433 S438 K439S431-S435 VanDerWaalsContact O-CB 3.29Å; S431-S435 WeakPolarHBondContact O-CB 3.45Å; S431-S435 PolarHBondContact O-N 3Å; S431-S435 PolarHBondContact O-OG 3.2Å; F432-S435 PolarHBondContact O-N 3.29Å; F433-S435 VanDerWaalsContact C-N 3.29Å; F433-S435 PolarHBondContact O-N 2.93Å; S435-S438 WeakPolarHBondContact CA-OG 3.41Å; S435-S438 PolarHBondContact O-OG 3.09Å; S435-K439 WeakPolarHBondContact O-CB 3.39Å; S435-K439 PolarHBondContact O-N 2.9Å
436L75.3Confident63.4Low101 Ų101110.7 Ų110.753%0.52966%0.662SS.*Hα-helixtrans-72.9-34.5175.3-81.7166.1000112.8F432 F433F432-L436 HydrophobicContact CD1-CD1 3.62Å; F432-L436 HydrophobicContact CE1-CD1 3.4Å; F432-L436 HydrophobicContact CE1-CG 4.36Å; F432-L436 HydrophobicContact CZ-CD1 4.24Å; F432-L436 PolarHBondContact O-N 2.82Å; F433-L436 PolarHBondContact O-N 3.38Å
437L73.7Confident61.7Low132 Ų132110.1 Ų110.169%0.69167%0.671SS**Hα-helixtrans-76.4-31.4177-71.7166000112.6F433F433-L437 WeakPolarHBondContact O-CB 3.36Å; F433-L437 WeakPolarHBondContact O-CG 3.31Å; F433-L437 PolarHBondContact O-N 2.96Å
438S69.5Low59.8Low97 Ų97112 Ų11268%0.67869%0.691SS**Hα-helixtrans-83.3-17178.554.90000114.2N434 S435N434-S438 WeakPolarHBondContact O-CB 3.37Å; N434-S438 PolarHBondContact O-N 2.83Å; N434-S438 PolarHBondContact O-OG 3.4Å; S435-S438 WeakPolarHBondContact CA-OG 3.41Å; S435-S438 PolarHBondContact O-OG 3.09Å
439K54.5Low57.7Low189 Ų189112.4 Ų112.482%0.82270%0.704SS**SBendtrans-10024.7-171.9-150.3-179.2178.8-178.20115.4S435S435-K439 WeakPolarHBondContact O-CB 3.39Å; S435-K439 PolarHBondContact O-N 2.9Å
440K42.8Very low55.5Low179 Ų179111.3 Ų111.378%0.77872%0.719SS**  trans-140.172.2178.9-166.3155.5179.5172.70114.7
441T40.2Very low53.6Low149 Ų149113 Ų11391%0.91474%0.741SS**  trans-161.280.4143.247.70000109.1
442G37.8Very low51.5Low82 Ų82115.6 Ų115.685%0.84575%0.753SS**  trans-142.594.1174.400000110.6
443S37.4Very low49.4Very low120 Ų120118 Ų11884%0.83977%0.767SS**  trans-95.3141.8166-172.40000108.4
444P38.3Very low47.1Very low128 Ų128116.7 Ų116.783%0.83177%0.774SS**  trans-89.9147-151.834.7-32.6000113.6
445G36.8Very low45Very low74 Ų74118.2 Ų118.276%0.76379%0.787SS**  trans-166.899.4175.200000114.7
446S35.9Very low43Very low121 Ų121119.8 Ų119.885%0.84680%0.804SS**  trans73.6125.3152.7-1390000121.4
447P35.7Very low41.1Very low129 Ų129125.1 Ų125.184%0.83882%0.823SS**  trans-93141.1-178.636.3-31.2000112.9
448G36.7Very low39.3Very low79 Ų79128.9 Ų128.981%0.81483%0.834SS**  trans-137.997.9174.900000111.7
449A36.5Very low37.7Very low108 Ų108129.9 Ų129.989%0.89384%0.841SS**  trans11.5129.915500000121.5
450G34Very low36.6Very low86 Ų86124.3 Ų124.389%0.88784%0.837SS**  109115.4121.600000117.5
451G36Very low36.6Very low81 Ų81125.3 Ų125.384%0.83585%0.845SS**  trans149.487.6160.300000114.6
452V33.6Very low36.6Very low132 Ų132127.7 Ų127.780%0.884%0.842SS**  trans-94.6156.9177.2-170.50000109.7
453Q39.1Very low37Very low182 Ų182129.1 Ų129.185%0.8584%0.835SS**  trans87.4132.5165.7-50.7-178.6-1.400114.5
454S36.4Very low37.5Very low107 Ų107128.9 Ų128.975%0.74883%0.828SS**  cis-159.3145.131.350.90000113.3
455T36.1Very low38.2Very low137 Ų137130.2 Ų130.284%0.8483%0.827SS**  trans-13.1133.3153.252.60000120.5
456A37Very low39.3Very low103 Ų103129.3 Ų129.385%0.85181%0.81SS**  trans-161.2115.7132.900000112.9
457K35.2Very low40.8Very low213 Ų213128.1 Ų128.193%0.92679%0.794SS**  trans-20.2130.6165.6-73.2165.1168.9172.90118.1
458K36.7Very low42.2Very low210 Ų210126.2 Ų126.291%0.91378%0.78SS**  -154.7127.9124.3-143.2168.2-177.1176.70110.9
459S34.1Very low43.4Very low119 Ų119127.9 Ų127.983%0.83277%0.766SS**  trans-82.1149.8-172.446.70000113.5
460G32.5Very low45.1Very low72 Ų72129.3 Ų129.374%0.74275%0.754SS**  trans116.779.9150.400000116.2
461Q43.1Very low46.6Very low200 Ų200130.2 Ų130.294%0.93574%0.736SS**  trans170.988150-102.3172.2-8.200107.9
462K38.7Very low48.1Very low198 Ų198131.4 Ų131.486%0.86172%0.722SS**  trans-147.615.5172.3-131.4-179.9-175.3-177.60116.2
463T46.3Very low49.8Very low112 Ų112128.8 Ų128.869%0.68770%0.704SS**SBendtrans-102.8-10.5-173.2-25.30000114.8
464V49.3Very low51.4Low116 Ų116128.1 Ų128.170%0.70369%0.693SS**Hα-helixtrans-93.6-31.6-174.6-175.50000112.9
465L52.4Low52.4Low155 Ų155130 Ų13081%0.81269%0.692SS**Hα-helixtrans-77.4-22.9-177.3-67.5175.2000113.8
466S60.1Low54.1Low56 Ų56128.5 Ų128.539%0.39268%0.683SS.*Hα-helixtrans-70.7-39.2175.755.50000112V468 Q469 E470S466-V468 VanDerWaalsContact C-N 3.35Å; S466-V468 PolarHBondContact O-N 3.43Å; S466-Q469 PolarHBondContact O-N 3.07Å; S466-E470 PolarHBondContact O-N 3.32Å
467N66.4Low54.8Low95 Ų95133.2 Ų133.251%0.50868%0.679SS.*Hα-helixtrans-67.2-34.3-176.5-73.99.4000112.8E471N467-E471 WeakPolarHBondContact O-CB 3.43Å; N467-E471 PolarHBondContact O-N 3.33Å
468V64.9Low55.2Low90 Ų90131.2 Ų131.255%0.54567%0.67SS.*Hα-helixtrans-69.7-37.1177.3179.90000111S466 L472S466-V468 VanDerWaalsContact C-N 3.35Å; S466-V468 PolarHBondContact O-N 3.43Å; V468-L472 PolarHBondContact O-N 3.45Å; V468-L472 VanDerWaalsContact O-N 3.08Å
469Q63.9Low55.4Low114 Ų114126 Ų12653%0.53366%0.658SS.*Hα-helixtrans-72-38.4176.9-168.465.33500111.6S466 L472 D473S466-Q469 PolarHBondContact O-N 3.07Å; Q469-L472 PolarHBondContact O-N 3.35Å; Q469-D473 PolarHBondContact O-N 3.41Å
470E70.3Confident55.2Low137 Ų137128.8 Ų128.864%0.6466%0.663SS**Hα-helixtrans-65.9-36.1173.5-105.8172.8158.700112.7S466 R474S466-E470 PolarHBondContact O-N 3.32Å; E470-R474 VanDerWaalsContact O-CB 3.31Å; E470-R474 WeakPolarHBondContact O-CB 3.42Å; E470-R474 PolarHBondContact O-N 2.88Å; E470-R474 VanDerWaalsContact O-N 3.07Å
471E65.9Low55.5Low106 Ų106129.7 Ų129.750%0.49566%0.659SS.*Hα-helixtrans-66.6-40.9172.6-94.4-97.3125.700112.3N467 R474 M475N467-E471 WeakPolarHBondContact O-CB 3.43Å; N467-E471 PolarHBondContact O-N 3.33Å; E471-R474 WeakPolarHBondContact O-CB 3.35Å; E471-R474 PolarHBondContact O-N 2.91Å; E471-M475 PolarHBondContact O-N 3.28Å
472L68.1Low55.1Low106 Ų106128.3 Ų128.356%0.55565%0.654SS**Hα-helixtrans-68.4-38.9179-128.791.2000112.6V468 Q469 R474 M475 T476V468-L472 PolarHBondContact O-N 3.45Å; V468-L472 VanDerWaalsContact O-N 3.08Å; Q469-L472 PolarHBondContact O-N 3.35Å; L472-R474 VanDerWaalsContact C-N 3.27Å; L472-R474 PolarHBondContact O-N 3.42Å; L472-M475 PolarHBondContact O-N 3.08Å; L472-T476 PolarHBondContact O-N 3.44Å; L472-T476 PolarHBondContact O-OG1 3.34Å
473D68.8Low55Low77 Ų77126.3 Ų126.341%0.41266%0.658SS.*Hα-helixtrans-69.7-26173.2-93.3-44.4000112Q469 T476 R477Q469-D473 PolarHBondContact O-N 3.41Å; D473-T476 WeakPolarHBondContact CA-OG1 3.47Å; D473-R477 WeakPolarHBondContact O-CB 3.41Å
474R73.1Confident54.3Low167 Ų167125.7 Ų125.763%0.6365%0.654SS**Hα-helixtrans-74.1-35175.4-159.6176.4-156.5-128.94.5112.8E470 E471 L472E470-R474 VanDerWaalsContact O-CB 3.31Å; E470-R474 WeakPolarHBondContact O-CB 3.42Å; E470-R474 PolarHBondContact O-N 2.88Å; E470-R474 VanDerWaalsContact O-N 3.07Å; E471-R474 WeakPolarHBondContact O-CB 3.35Å; E471-R474 PolarHBondContact O-N 2.91Å; L472-R474 VanDerWaalsContact C-N 3.27Å; L472-R474 PolarHBondContact O-N 3.42Å
475M58.1Low53.4Low146 Ų146127 Ų12772%0.71966%0.657SS**Hα-helixtrans-79.7-25.2177.1-78.3166.7174.300113.3E471 L472E471-M475 PolarHBondContact O-N 3.28Å; L472-M475 PolarHBondContact O-N 3.08Å
476T70.1Confident52.6Low107 Ų107125 Ų12566%0.65666%0.656SS**SBendtrans-88.3-5.4179.444.70000114.7L472 D473L472-T476 PolarHBondContact O-N 3.44Å; L472-T476 PolarHBondContact O-OG1 3.34Å; D473-T476 WeakPolarHBondContact CA-OG1 3.47Å
477R53.6Low51.6Low202 Ų202126.9 Ų126.976%0.76267%0.669SS**  trans-120.612.9-175.5-73.7-172174-172.30.2116.6D473D473-R477 WeakPolarHBondContact O-CB 3.41Å
478K43.1Very low50.3Low170 Ų170128.3 Ų128.374%0.73968%0.682SS**PPolyproline II helixtrans-84.2133175.7-96.2-175.3174.7-177.60112.8
479P39.7Very low49.2Very low100 Ų100132.8 Ų132.865%0.64970%0.697SS**PPolyproline II helixtrans-100.1155-157.837.6-27.6000112.6S481P479-S481 PolarHBondContact O-N 3.01Å
480D30.5Very low48Very low178 Ų178135 Ų13595%0.95271%0.712SS**PPolyproline II helixtrans-60.5117.7155.4-75.9-46.8000109.3
481S38.1Very low46.7Very low92 Ų92137.5 Ų137.564%0.64372%0.724SS**  trans-146.1102.7165.264.50000108.9P479P479-S481 PolarHBondContact O-N 3.01Å
482M36.5Very low45.8Very low171 Ų171141 Ų14184%0.84277%0.771SS**  59.6104.5108.5-75.2-176.416700115.2
483V35Very low44.7Very low156 Ų156142.8 Ų142.895%0.94578%0.782SS**  trans-117.2111.7139.2178.60000106.3
484T32Very low43.4Very low98 Ų98146.2 Ų146.260%0.60180%0.801SS**  trans-121.4146.1176.2-6.40000108.1
485N31.5Very low41.7Very low144 Ų144145.1 Ų145.177%0.7781%0.811SS**  trans93.8102.2156.1-64.2-3.2000120.5
486S35.1Very low40.8Very low112 Ų112145 Ų14578%0.78382%0.816SS**  -162.293.812054.50000107.2
487S38Very low38.9Very low96 Ų96147.4 Ų147.467%0.67183%0.826SS**  53.690.287.3-48.60000111.8
488T39.8Very low38Very low125 Ų125143.7 Ų143.777%0.76783%0.83SS**  71.2140.591.750.70000116.1
489E41.9Very low37.6Very low184 Ų184141.9 Ų141.986%0.8684%0.837SS**  trans91.3104.9171.3-55.4178.3160.800113.5
490N39.4Very low37.4Very low160 Ų160145.1 Ų145.186%0.85685%0.851SS**  cis63119.339-109.521.8000115.2
491E43Very low38Very low191 Ų191142.3 Ų142.389%0.89384%0.843SS**  trans72.792.6167.7-69.4-171128.200119.8
492A46Very low38Very low179 Ų179146.9 Ų146.9100%1.47986%0.861SS**  177.40119.400000110.8

Retrieved 492 of 492 residues in 146.6 ms (Link to these results)