A0A077Z1U7_TRITR Loading...

Ragulator complex protein LAMTOR1

AlphaFold DB , UniProt , Accession A0A077Z1U7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 271 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.3Very low37.8Very low224 Ų224159.5 Ų159.5100%1.10383%0.831SS**  0101.50-167.7164-176.300106.3
2F37.8Very low37.8Very low178 Ų178160.3 Ų160.378%0.78184%0.836SS**  trans49.2101.5167.2-62.8-81.2000118.2
3E35.6Very low38Very low172 Ų172158.8 Ų158.880%0.80483%0.827SS**  62108.272.7-77.4-168.7142.200116.1
4T34Very low37.7Very low117 Ų117160.7 Ų160.772%0.71883%0.83SS**  52.1120.2122.4-270000120.1
5V46.2Very low37.8Very low149 Ų149161.4 Ų161.490%0.90383%0.828SS**  trans-145.7116.7136.5-179.50000109.7
6D35.2Very low37.6Very low151 Ų151158.6 Ų158.681%0.80782%0.815SS**  trans-81.8151165-174.312.1000109.8
7G40.6Very low37.4Very low65 Ų65156.5 Ų156.567%0.6782%0.817SS**  trans174.982.4-177.900000117.4
8S36.7Very low37.2Very low122 Ų122157.9 Ų157.985%0.85382%0.816SS**  trans50.8114.4137.9-69.10000120.9
9R37.8Very low37.3Very low249 Ų249159.3 Ų159.394%0.9482%0.824SS**  trans-154.3109.6131.7-142.5172.2-168.2171.92.7111.6
10K36.7Very low37.1Very low184 Ų184155.5 Ų155.580%0.883%0.825SS**  trans-79.2160.5158.5-71.9176.1174177.20108.5
11D36.6Very low37.1Very low143 Ų143151.6 Ų151.677%0.76582%0.823SS**  trans109.2110.6162.9-52-24.5000116.4
12L38Very low37.5Very low170 Ų170146.4 Ų146.489%0.8980%0.804SS**  trans158.576.3152.5-92.8145.3000107.1
13I40.7Very low37.8Very low140 Ų140145.5 Ų145.572%0.71881%0.807SS**  51.19883.7-54-179.4000112.8
14E33.1Very low38.3Very low186 Ų186144.9 Ų144.987%0.86980%0.797SS**  trans33.1110.2133.9-113.8172.9162.300118.3
15H39.5Very low38.9Very low171 Ų171144 Ų14479%0.79279%0.786SS**  trans-131.5117.8162-117.1-83.4000110.2
16D35.3Very low39Very low117 Ų117143.4 Ų143.463%0.62677%0.768SS**  trans68.780.1146.5-65.7-30.9000120.8F18D16-F18 PolarHBondContact O-N 3.16Å
17S33.2Very low39.8Very low122 Ų122141 Ų14185%0.85376%0.76SS**  trans-63.490135.537.60000111.4
18F34Very low40.5Very low182 Ų182143.1 Ų143.180%0.79876%0.756SS**  trans-137.748.9174.4-133.7-87.5000112.5D16D16-F18 PolarHBondContact O-N 3.16Å
19L39.2Very low41.5Very low184 Ų184143.7 Ų143.796%0.96374%0.744SS**  trans-145.581.9172-71.9174.9000109.4
20G32.8Very low42.1Very low83 Ų83136.2 Ų136.286%0.85672%0.722SS**  trans-166.834.5-177.700000115.4
21G37.1Very low43Very low75 Ų75131.7 Ų131.777%0.77371%0.706SS**  trans-121.63.4-165.700000118.3
22T46.7Very low44.2Very low114 Ų114128.1 Ų128.170%0.69969%0.693SS**  trans-107.5-3.3-171.353.40000115.9R24T22-R24 VanDerWaalsContact C-N 3.27Å; T22-R24 PolarHBondContact O-N 2.93Å; T22-R24 VanDerWaalsContact O-N 3.12Å
23D45.6Very low45Very low159 Ų159121.7 Ų121.785%0.8566%0.664SS**THydrogen-bonded Turntrans-8315.5-167.9-76.6-19.9000115.9
24R46.1Very low45.7Very low159 Ų159119.3 Ų119.360%0.665%0.648SS**THydrogen-bonded Turntrans-141.328.5-178.2-99.6-173.8170161.3-3.7116.3T22 R26T22-R24 VanDerWaalsContact C-N 3.27Å; T22-R24 PolarHBondContact O-N 2.93Å; T22-R24 VanDerWaalsContact O-N 3.12Å; R24-R26 PolarHBondContact O-N 3.25Å
25M46.2Very low47Very low98 Ų98114.8 Ų114.848%0.48363%0.628SS.*  trans-69.3124.1165.2-77.1-175.3-179.500109.9L30M25-L30 HydrophobicContact CB-CD1 4.14Å; M25-L30 HydrophobicContact CB-CD2 4.42Å; M25-L30 HydrophobicContact CB-CG 4.09Å; M25-L30 HydrophobicContact SD-CD2 3.97Å
26R48.7Very low48.1Very low138 Ų138114.4 Ų114.452%0.52163%0.626SS.*  trans-53.9132.7175.5-82.9-171.9177.1-166.1-4.5109.4R24 D28 F29 L30 E176R24-R26 PolarHBondContact O-N 3.25Å; R26-D28 PolarHBondContact O-N 3.35Å; R26-D28 VanDerWaalsContact O-N 3.14Å; R26-F29 HydrophobicContact CB-CB 4.27Å; R26-F29 WeakPolarHBondContact O-CB 3.24Å; R26-F29 PolarHBondContact O-N 3.17Å; R26-L30 PolarHBondContact O-N 3.43Å; R26-L30 VanDerWaalsContact O-N 3.17Å; R26-E176 IonicContact CZ-OE2 4Å; R26-E176 IonicContact NH1-OE2 2.59Å; R26-E176 VanDerWaalsContact NH2-CD 3.33Å; R26-E176 IonicContact NH2-OE2 3.33Å; R26-E176 PolarHBondContact NH2-OE2 3.31Å
27P51.9Low48.8Very low99 Ų99111.2 Ų111.264%0.64361%0.613SS**Hα-helixtrans-53.4-35.6176.5-17.823.3000112.1F29 L30 N31P27-F29 VanDerWaalsContact C-N 3.34Å; P27-F29 PolarHBondContact O-N 3.45Å; P27-L30 PolarHBondContact O-N 2.85Å; P27-N31 VanDerWaalsContact O-CB 3.23Å; P27-N31 WeakPolarHBondContact O-CB 3.37Å; P27-N31 PolarHBondContact O-N 2.9Å
28D55.4Low49.8Very low111 Ų111106.9 Ų106.959%0.59458%0.581SS**Hα-helixtrans-69-31.3179.7-52.2-33.6000113R26 S32R26-D28 PolarHBondContact O-N 3.35Å; R26-D28 VanDerWaalsContact O-N 3.14Å; D28-S32 WeakPolarHBondContact O-CB 3.43Å; D28-S32 PolarHBondContact O-N 3.49Å; D28-S32 PolarHBondContact O-OG 2.9Å
29F56Low50.8Low134 Ų134103.8 Ų103.859%0.58857%0.567SS**Hα-helixtrans-71.2-44.7174.4-179.4-96000110.2R26 P27 N31 S32 A33R26-F29 HydrophobicContact CB-CB 4.27Å; R26-F29 WeakPolarHBondContact O-CB 3.24Å; R26-F29 PolarHBondContact O-N 3.17Å; P27-F29 VanDerWaalsContact C-N 3.34Å; P27-F29 PolarHBondContact O-N 3.45Å; F29-N31 VanDerWaalsContact C-N 3.33Å; F29-N31 PolarHBondContact O-N 2.91Å; F29-S32 PolarHBondContact O-N 3.36Å; F29-A33 WeakPolarHBondContact O-CB 3.43Å; F29-A33 PolarHBondContact O-N 2.93Å
30L51.3Low51.7Low91 Ų9199 Ų9948%0.47655%0.547SS..Hα-helixtrans-63-41.2174-71.8174.2000111.3M25 R26 P27 F34M25-L30 HydrophobicContact CB-CD1 4.14Å; M25-L30 HydrophobicContact CB-CD2 4.42Å; M25-L30 HydrophobicContact CB-CG 4.09Å; M25-L30 HydrophobicContact SD-CD2 3.97Å; R26-L30 PolarHBondContact O-N 3.43Å; R26-L30 VanDerWaalsContact O-N 3.17Å; P27-L30 PolarHBondContact O-N 2.85Å; L30-F34 WeakPolarHBondContact O-CB 3.43Å; L30-F34 PolarHBondContact O-N 3.22Å
31N56.4Low52.5Low89 Ų89102.8 Ų102.848%0.47654%0.536SS..Hα-helixtrans-71.7-37.4-178.8-155.739.1000111.8P27 F29 F34 E35P27-N31 VanDerWaalsContact O-CB 3.23Å; P27-N31 WeakPolarHBondContact O-CB 3.37Å; P27-N31 PolarHBondContact O-N 2.9Å; F29-N31 VanDerWaalsContact C-N 3.33Å; F29-N31 PolarHBondContact O-N 2.91Å; N31-F34 PolarHBondContact O-N 3.28Å; N31-E35 VanDerWaalsContact O-CB 3.26Å; N31-E35 WeakPolarHBondContact O-CB 3.32Å; N31-E35 WeakPolarHBondContact O-CG 3.3Å; N31-E35 PolarHBondContact O-N 2.95Å
32S61.4Low53.3Low69 Ų69101.4 Ų101.448%0.48352%0.518SS..Hα-helixtrans-71.5-44.2174.6-58.90000111.7D28 F29 F34 E35 E36D28-S32 WeakPolarHBondContact O-CB 3.43Å; D28-S32 PolarHBondContact O-N 3.49Å; D28-S32 PolarHBondContact O-OG 2.9Å; F29-S32 PolarHBondContact O-N 3.36Å; S32-F34 PolarHBondContact O-N 2.9Å; S32-E35 PolarHBondContact O-N 2.9Å; S32-E36 WeakPolarHBondContact O-CB 3.47Å; S32-E36 PolarHBondContact O-N 3.49Å
33A53.8Low53.8Low34 Ų3499.9 Ų99.928%0.28151%0.508SS..Hα-helixtrans-61.5-36.4173.400000111F29 S37F29-A33 WeakPolarHBondContact O-CB 3.43Å; F29-A33 PolarHBondContact O-N 2.93Å; A33-S37 WeakPolarHBondContact O-CB 3.27Å; A33-S37 PolarHBondContact O-N 2.89Å; A33-S37 PolarHBondContact O-OG 2.71Å
34F56.2Low54.2Low90 Ų9093.8 Ų93.840%0.39548%0.482SS..Hα-helixtrans-69.6-45.8174.6-169-89.3000111.7L30 N31 S32 S37 V38L30-F34 WeakPolarHBondContact O-CB 3.43Å; L30-F34 PolarHBondContact O-N 3.22Å; N31-F34 PolarHBondContact O-N 3.28Å; S32-F34 PolarHBondContact O-N 2.9Å; F34-S37 PolarHBondContact O-N 3.29Å; F34-V38 HydrophobicContact CB-CG2 4.47Å; F34-V38 HydrophobicContact CD1-CB 4.11Å; F34-V38 HydrophobicContact CD1-CG2 4.24Å; F34-V38 HydrophobicContact CD2-CB 4.22Å; F34-V38 HydrophobicContact CD2-CG2 3.49Å; F34-V38 VanDerWaalsContact CD2-CG2 3.49Å; F34-V38 HydrophobicContact CE1-CB 4.06Å; F34-V38 HydrophobicContact CE1-CG1 4.01Å; F34-V38 HydrophobicContact CE1-CG2 4.36Å; F34-V38 HydrophobicContact CE2-CB 4.18Å; F34-V38 HydrophobicContact CE2-CG1 4.11Å; F34-V38 HydrophobicContact CE2-CG2 3.65Å; F34-V38 HydrophobicContact CG-CB 4.18Å; F34-V38 HydrophobicContact CG-CG2 3.8Å; F34-V38 HydrophobicContact CZ-CB 4.1Å; F34-V38 HydrophobicContact CZ-CG1 3.77Å; F34-V38 HydrophobicContact CZ-CG2 4.09Å; F34-V38 WeakPolarHBondContact O-CA 3.23Å; F34-V38 WeakPolarHBondContact O-CB 3.43Å; F34-V38 WeakPolarHBondContact O-CG2 3.35Å; F34-V38 PolarHBondContact O-N 3.42Å
35E60.5Low54.4Low92 Ų9288.7 Ų88.743%0.4347%0.471SS..Hα-helixtrans-63.6-43.6178.3-88.2-86.2131.200112.6N31 S32 K39N31-E35 VanDerWaalsContact O-CB 3.26Å; N31-E35 WeakPolarHBondContact O-CB 3.32Å; N31-E35 WeakPolarHBondContact O-CG 3.3Å; N31-E35 PolarHBondContact O-N 2.95Å; S32-E35 PolarHBondContact O-N 2.9Å; E35-K39 WeakPolarHBondContact O-CB 3.48Å; E35-K39 WeakPolarHBondContact O-CG 3.26Å; E35-K39 VanDerWaalsContact OE1-CE 3.22Å; E35-K39 WeakPolarHBondContact OE1-CE 3.31Å; E35-K39 IonicContact OE1-NZ 2.74Å; E35-K39 PolarHBondContact OE1-NZ 3.48Å; E35-K39 WeakPolarHBondContact OE2-CE 3.26Å; E35-K39 IonicContact OE2-NZ 3.76Å; E35-K39 PolarHBondContact OE2-NZ 2.84Å
36E61.5Low54.9Low162 Ų16287.6 Ų87.676%0.75747%0.473SS*.Hα-helixtrans-73.3-34.8178.4-75.8-165.4146.500112.7S32 P40S32-E36 WeakPolarHBondContact O-CB 3.47Å; S32-E36 PolarHBondContact O-N 3.49Å; E36-P40 VanDerWaalsContact O-CD 3.28Å; E36-P40 WeakPolarHBondContact O-CD 3.4Å; E36-P40 WeakPolarHBondContact O-CG 3.45Å
37S51Low55.1Low51 Ų5189.7 Ų89.736%0.35748%0.481SS..Hα-helixtrans-98-32.4-172-47.20000114A33 F34A33-S37 WeakPolarHBondContact O-CB 3.27Å; A33-S37 PolarHBondContact O-N 2.89Å; A33-S37 PolarHBondContact O-OG 2.71Å; F34-S37 PolarHBondContact O-N 3.29Å
38V55.3Low54.8Low31 Ų3188.3 Ų88.319%0.18847%0.467CS..Hα-helixtrans-91.4-28.2-174.8-176.10000112.3F34 W41 A42F34-V38 HydrophobicContact CB-CG2 4.47Å; F34-V38 HydrophobicContact CD1-CB 4.11Å; F34-V38 HydrophobicContact CD1-CG2 4.24Å; F34-V38 HydrophobicContact CD2-CB 4.22Å; F34-V38 HydrophobicContact CD2-CG2 3.49Å; F34-V38 VanDerWaalsContact CD2-CG2 3.49Å; F34-V38 HydrophobicContact CE1-CB 4.06Å; F34-V38 HydrophobicContact CE1-CG1 4.01Å; F34-V38 HydrophobicContact CE1-CG2 4.36Å; F34-V38 HydrophobicContact CE2-CB 4.18Å; F34-V38 HydrophobicContact CE2-CG1 4.11Å; F34-V38 HydrophobicContact CE2-CG2 3.65Å; F34-V38 HydrophobicContact CG-CB 4.18Å; F34-V38 HydrophobicContact CG-CG2 3.8Å; F34-V38 HydrophobicContact CZ-CB 4.1Å; F34-V38 HydrophobicContact CZ-CG1 3.77Å; F34-V38 HydrophobicContact CZ-CG2 4.09Å; F34-V38 WeakPolarHBondContact O-CA 3.23Å; F34-V38 WeakPolarHBondContact O-CB 3.43Å; F34-V38 WeakPolarHBondContact O-CG2 3.35Å; F34-V38 PolarHBondContact O-N 3.42Å; V38-W41 CarbonylContact O-C 3.59Å; V38-W41 PolarHBondContact O-N 3.49Å; V38-W41 VanDerWaalsContact O-N 3.12Å; V38-A42 WeakPolarHBondContact O-CB 3.22Å; V38-A42 PolarHBondContact O-N 2.83Å
39K53.7Low54.5Low116 Ų11684.7 Ų84.750%0.50446%0.456SS..Hα-helixtrans-57.4-46.3173.4-85.1179.2169.6169.50112.9E35 W41 T43E35-K39 WeakPolarHBondContact O-CB 3.48Å; E35-K39 WeakPolarHBondContact O-CG 3.26Å; E35-K39 VanDerWaalsContact OE1-CE 3.22Å; E35-K39 WeakPolarHBondContact OE1-CE 3.31Å; E35-K39 IonicContact OE1-NZ 2.74Å; E35-K39 PolarHBondContact OE1-NZ 3.48Å; E35-K39 WeakPolarHBondContact OE2-CE 3.26Å; E35-K39 IonicContact OE2-NZ 3.76Å; E35-K39 PolarHBondContact OE2-NZ 2.84Å; K39-W41 VanDerWaalsContact C-N 3.31Å; K39-W41 PolarHBondContact O-N 3.21Å; K39-T43 WeakPolarHBondContact O-CB 3.45Å; K39-T43 PolarHBondContact O-N 2.87Å; K39-T43 PolarHBondContact O-OG1 2.94Å
40P58.9Low54.3Low83 Ų8383.5 Ų83.554%0.53946%0.456SS..Hα-helixtrans-61.5-39.2173.7-22.332.8000112.5E36 T43 G44E36-P40 VanDerWaalsContact O-CD 3.28Å; E36-P40 WeakPolarHBondContact O-CD 3.4Å; E36-P40 WeakPolarHBondContact O-CG 3.45Å; P40-T43 PolarHBondContact O-N 2.74Å; P40-G44 PolarHBondContact O-N 3.07Å
41W49.6Very low54.3Low163 Ų16383.6 Ų83.662%0.61746%0.461SS*.Hα-helixtrans-67.4-45.8179.9-156.678.4000112.3V38 K39 T43 G44 C45V38-W41 CarbonylContact O-C 3.59Å; V38-W41 PolarHBondContact O-N 3.49Å; V38-W41 VanDerWaalsContact O-N 3.12Å; K39-W41 VanDerWaalsContact C-N 3.31Å; K39-W41 PolarHBondContact O-N 3.21Å; W41-T43 VanDerWaalsContact C-N 3.33Å; W41-T43 PolarHBondContact O-N 2.8Å; W41-G44 PolarHBondContact O-N 3.41Å; W41-C45 WeakPolarHBondContact O-CB 3.45Å; W41-C45 PolarHBondContact O-N 2.65Å; W41-C45 PolarHBondContact O-SG 3.37Å
42A53.7Low53.9Low47 Ų4783.2 Ų83.239%0.38846%0.458SS..Hα-helixtrans-60.6-42.8174.600000111.1V38 G44 C45 S46V38-A42 WeakPolarHBondContact O-CB 3.22Å; V38-A42 PolarHBondContact O-N 2.83Å; A42-G44 VanDerWaalsContact C-N 3.33Å; A42-G44 PolarHBondContact O-N 3.01Å; A42-C45 PolarHBondContact O-N 3.49Å; A42-S46 WeakPolarHBondContact O-CB 3.45Å; A42-S46 PolarHBondContact O-N 3.36Å; A42-S46 PolarHBondContact O-OG 3.21Å
43T57.6Low53.3Low82 Ų8283.7 Ų83.750%0.50347%0.465SS..Hα-helixtrans-64.7-37.8176.4-47.70000111.7K39 P40 W41 R47K39-T43 WeakPolarHBondContact O-CB 3.45Å; K39-T43 PolarHBondContact O-N 2.87Å; K39-T43 PolarHBondContact O-OG1 2.94Å; P40-T43 PolarHBondContact O-N 2.74Å; W41-T43 VanDerWaalsContact C-N 3.33Å; W41-T43 PolarHBondContact O-N 2.8Å; T43-R47 WeakPolarHBondContact O-CG 3.38Å; T43-R47 PolarHBondContact O-N 2.71Å
44G53.5Low53.1Low30 Ų3090.3 Ų90.331%0.30949%0.491SS..Hα-helixtrans-67.2-42.4173.400000113.1P40 W41 A42 R47 L48P40-G44 PolarHBondContact O-N 3.07Å; W41-G44 PolarHBondContact O-N 3.41Å; A42-G44 VanDerWaalsContact C-N 3.33Å; A42-G44 PolarHBondContact O-N 3.01Å; G44-R47 PolarHBondContact O-N 3.29Å; G44-L48 PolarHBondContact O-N 3.35Å
45C50.9Low52.5Low52 Ų5287.9 Ų87.935%0.35149%0.485SS..Hα-helixtrans-69.6-35.3177.4-74.20000112.9W41 A42 R47 L48 G49W41-C45 WeakPolarHBondContact O-CB 3.45Å; W41-C45 PolarHBondContact O-N 2.65Å; W41-C45 PolarHBondContact O-SG 3.37Å; A42-C45 PolarHBondContact O-N 3.49Å; C45-R47 VanDerWaalsContact C-N 3.3Å; C45-R47 PolarHBondContact O-N 3.27Å; C45-L48 WeakPolarHBondContact O-CB 3.21Å; C45-L48 PolarHBondContact O-N 2.89Å; C45-L48 VanDerWaalsContact O-N 3.11Å; C45-G49 PolarHBondContact O-N 3.02Å
46S54.6Low51.7Low76 Ų7688.5 Ų88.553%0.53150%0.499SS..Hα-helixtrans-60.5-41.5172.9-64.30000111.4A42 L48 G49 D50A42-S46 WeakPolarHBondContact O-CB 3.45Å; A42-S46 PolarHBondContact O-N 3.36Å; A42-S46 PolarHBondContact O-OG 3.21Å; S46-L48 VanDerWaalsContact C-N 3.28Å; S46-L48 PolarHBondContact O-N 3.08Å; S46-G49 WeakPolarHBondContact O-CA 3.44Å; S46-G49 PolarHBondContact O-N 3.37Å; S46-D50 PolarHBondContact O-N 2.93Å
47R53.7Low50.8Low181 Ų18189.1 Ų89.168%0.68350%0.502SS*.Hα-helixtrans-64.7-32.3174.1-70.4179.8172.7-161.3-1.7112.7T43 G44 C45 V51T43-R47 WeakPolarHBondContact O-CG 3.38Å; T43-R47 PolarHBondContact O-N 2.71Å; G44-R47 PolarHBondContact O-N 3.29Å; C45-R47 VanDerWaalsContact C-N 3.3Å; C45-R47 PolarHBondContact O-N 3.27Å; R47-V51 WeakPolarHBondContact O-CG2 3.46Å; R47-V51 PolarHBondContact O-N 3.17Å
48L45.1Very low50.4Low70 Ų7091.3 Ų91.337%0.36652%0.523SS..Hα-helixtrans-70.1-35.6172.6-152.378.8000111.2G44 C45 S46 V51 I52G44-L48 PolarHBondContact O-N 3.35Å; C45-L48 WeakPolarHBondContact O-CB 3.21Å; C45-L48 PolarHBondContact O-N 2.89Å; C45-L48 VanDerWaalsContact O-N 3.11Å; S46-L48 VanDerWaalsContact C-N 3.28Å; S46-L48 PolarHBondContact O-N 3.08Å; L48-V51 PolarHBondContact O-N 3.27Å; L48-I52 HydrophobicContact CD2-CD1 4.41Å; L48-I52 HydrophobicContact CG-CD1 4.25Å; L48-I52 WeakPolarHBondContact O-CB 3.12Å; L48-I52 WeakPolarHBondContact O-CD1 3.17Å; L48-I52 WeakPolarHBondContact O-CG1 3.43Å; L48-I52 PolarHBondContact O-N 2.76Å
49G50.6Low49.9Very low35 Ų3592.6 Ų92.636%0.36153%0.529SS..Hα-helixtrans-60.4-41.8172.400000112.8C45 S46 I52 A53C45-G49 PolarHBondContact O-N 3.02Å; S46-G49 WeakPolarHBondContact O-CA 3.44Å; S46-G49 PolarHBondContact O-N 3.37Å; G49-I52 PolarHBondContact O-N 3.47Å; G49-A53 WeakPolarHBondContact O-CB 2.8Å; G49-A53 PolarHBondContact O-N 3.15Å
50D51.4Low49.5Very low109 Ų10991.5 Ų91.558%0.58353%0.532SS*.Hα-helixtrans-65.5-39.8176-66.4-27.1000111.7S46 I52 A53 E54S46-D50 PolarHBondContact O-N 2.93Å; D50-I52 VanDerWaalsContact C-N 3.31Å; D50-I52 PolarHBondContact O-N 3.09Å; D50-A53 PolarHBondContact O-N 2.91Å; D50-E54 PolarHBondContact O-N 2.86Å
51V50.8Low49.1Very low94 Ų9496 Ų9657%0.5754%0.543SS*.Hα-helixtrans-67.1-31.3175.4175.60000112.2R47 L48 S55R47-V51 WeakPolarHBondContact O-CG2 3.46Å; R47-V51 PolarHBondContact O-N 3.17Å; L48-V51 PolarHBondContact O-N 3.27Å; V51-S55 PolarHBondContact O-OG 2.85Å
52I48.7Very low49Very low81 Ų8194 Ų9442%0.41554%0.54SS..Hα-helixtrans-79.5-32.4176.7-66.6163.8000111.3L48 G49 D50 E54L48-I52 HydrophobicContact CD2-CD1 4.41Å; L48-I52 HydrophobicContact CG-CD1 4.25Å; L48-I52 WeakPolarHBondContact O-CB 3.12Å; L48-I52 WeakPolarHBondContact O-CD1 3.17Å; L48-I52 WeakPolarHBondContact O-CG1 3.43Å; L48-I52 PolarHBondContact O-N 2.76Å; G49-I52 PolarHBondContact O-N 3.47Å; D50-I52 VanDerWaalsContact C-N 3.31Å; D50-I52 PolarHBondContact O-N 3.09Å; I52-E54 VanDerWaalsContact C-N 3.29Å; I52-E54 PolarHBondContact O-N 3.48Å
53A48.8Very low48.8Very low78 Ų7896.4 Ų96.465%0.64555%0.545SS*.Hα-helixtrans-69.4-27.8177.500000112.6G49 D50G49-A53 WeakPolarHBondContact O-CB 2.8Å; G49-A53 PolarHBondContact O-N 3.15Å; D50-A53 PolarHBondContact O-N 2.91Å
54E48.9Very low48.3Very low174 Ų17496.6 Ų96.681%0.81354%0.542SS*.THydrogen-bonded Turntrans-92-0.8-176.9-148.7147.3-155.700113.8D50 I52D50-E54 PolarHBondContact O-N 2.86Å; I52-E54 VanDerWaalsContact C-N 3.29Å; I52-E54 PolarHBondContact O-N 3.48Å
55S43.7Very low48.4Very low39 Ų3999.1 Ų99.127%0.27355%0.552SS.*  trans-127.559-177.657.50000112.9V51 H57 L59V51-S55 PolarHBondContact O-OG 2.85Å; S55-H57 PolarHBondContact O-N 2.83Å; S55-L59 VanDerWaalsContact OG-CD1 3.22Å; S55-L59 WeakPolarHBondContact OG-CD1 3.22Å
56S44.2Very low48.5Very low104 Ų104100.6 Ų100.673%0.72756%0.556SS**  trans-72.513.9-178.639.80000116
57H42.1Very low48.5Very low175 Ų17598.2 Ų98.281%0.8154%0.543SS*.SBendtrans-137.7115171.9-86.7-92.8000111.7S55S55-H57 PolarHBondContact O-N 2.83Å
58A42Very low48.3Very low98 Ų9892.3 Ų92.381%0.8153%0.533SS*.  trans67.241.8162.700000118.3T60A58-T60 PolarHBondContact O-N 3.49Å
59L44.6Very low48.7Very low58 Ų5894.4 Ų94.430%0.30454%0.544SS..  trans-66.6105167.6-123.279000110.8S55 K61 I63 I64S55-L59 VanDerWaalsContact OG-CD1 3.22Å; S55-L59 WeakPolarHBondContact OG-CD1 3.22Å; L59-K61 PolarHBondContact O-N 3.17Å; L59-I63 HydrophobicContact CD1-CD1 4.38Å; L59-I63 HydrophobicContact CD2-CB 4.17Å; L59-I63 HydrophobicContact CD2-CG2 3.95Å; L59-I63 HydrophobicContact CG-CB 4.17Å; L59-I63 HydrophobicContact CG-CD1 4.13Å; L59-I63 HydrophobicContact CG-CG2 4.24Å; L59-I64 HydrophobicContact CD2-CD1 4.39Å; L59-I64 HydrophobicContact CD2-CG1 3.87Å
60T46.4Very low49Very low93 Ų9397.8 Ų97.857%0.57155%0.551SS**  trans-61.3131173.3-55.80000107.6A58 H62 I63A58-T60 PolarHBondContact O-N 3.49Å; T60-H62 HydrophobicContact CG2-CB 4.16Å; T60-H62 PolarHBondContact O-N 3.33Å; T60-I63 PolarHBondContact O-N 3.45Å
61K49.9Very low49Very low176 Ų17695.4 Ų95.477%0.76554%0.542SS*.Hα-helixtrans-42.7-26179.5-71.3-178.9176.5-177.50114.2L59 V65L59-K61 PolarHBondContact O-N 3.17Å; K61-V65 VanDerWaalsContact O-CG2 3.31Å; K61-V65 WeakPolarHBondContact O-CG2 3.43Å; K61-V65 PolarHBondContact O-N 3.14Å
62H47Very low49.3Very low122 Ų12292.4 Ų92.457%0.56553%0.53SS*.Hα-helixtrans-56.9-41.8173-119-77.7000114.8T60 I64 V65 D66T60-H62 HydrophobicContact CG2-CB 4.16Å; T60-H62 PolarHBondContact O-N 3.33Å; H62-I64 PolarHBondContact O-N 2.98Å; H62-V65 PolarHBondContact O-N 3.37Å; H62-D66 IonicContact ND1-OD1 3.95Å; H62-D66 IonicContact ND1-OD2 3.13Å; H62-D66 PolarHBondContact ND1-OD2 3.45Å; H62-D66 VanDerWaalsContact ND1-OD2 3.13Å; H62-D66 VanDerWaalsContact O-CB 3.31Å; H62-D66 WeakPolarHBondContact O-CB 3.48Å; H62-D66 VanDerWaalsContact O-CG 3.3Å; H62-D66 PolarHBondContact O-N 3.12Å
63I51.1Low49.8Very low97 Ų9794.4 Ų94.450%0.49754%0.536SS..Hα-helixtrans-69.8-37.2-174.3-62.7172.3000111.2L59 T60 G67L59-I63 HydrophobicContact CD1-CD1 4.38Å; L59-I63 HydrophobicContact CD2-CB 4.17Å; L59-I63 HydrophobicContact CD2-CG2 3.95Å; L59-I63 HydrophobicContact CG-CB 4.17Å; L59-I63 HydrophobicContact CG-CD1 4.13Å; L59-I63 HydrophobicContact CG-CG2 4.24Å; T60-I63 PolarHBondContact O-N 3.45Å; I63-G67 PolarHBondContact O-N 2.99Å
64I46.7Very low50Low86 Ų8699.8 Ų99.844%0.44154%0.54SS..Hα-helixtrans-69.5-41.7176.8-58.5178.2000110.3L59 H62 A68L59-I64 HydrophobicContact CD2-CD1 4.39Å; L59-I64 HydrophobicContact CD2-CG1 3.87Å; H62-I64 PolarHBondContact O-N 2.98Å; I64-A68 WeakPolarHBondContact O-CB 3.28Å; I64-A68 PolarHBondContact O-N 2.69Å
65V56Low50.3Low83 Ų8394 Ų9450%0.50352%0.518SS..Hα-helixtrans-68.1-44.7178.5174.10000111K61 H62 A68 L69K61-V65 VanDerWaalsContact O-CG2 3.31Å; K61-V65 WeakPolarHBondContact O-CG2 3.43Å; K61-V65 PolarHBondContact O-N 3.14Å; H62-V65 PolarHBondContact O-N 3.37Å; V65-A68 PolarHBondContact O-N 2.59Å; V65-L69 HydrophobicContact CG1-CD1 4.38Å; V65-L69 WeakPolarHBondContact O-CB 3.35Å; V65-L69 PolarHBondContact O-N 3.37Å
66D52Low50.9Low84 Ų8497.1 Ų97.145%0.44953%0.53SS..Hα-helixtrans-65.4-39.3177.7-73-28.2000111H62 L69 E70H62-D66 IonicContact ND1-OD1 3.95Å; H62-D66 IonicContact ND1-OD2 3.13Å; H62-D66 PolarHBondContact ND1-OD2 3.45Å; H62-D66 VanDerWaalsContact ND1-OD2 3.13Å; H62-D66 VanDerWaalsContact O-CB 3.31Å; H62-D66 WeakPolarHBondContact O-CB 3.48Å; H62-D66 VanDerWaalsContact O-CG 3.3Å; H62-D66 PolarHBondContact O-N 3.12Å; D66-L69 PolarHBondContact O-N 3.33Å; D66-E70 WeakPolarHBondContact O-CB 3.39Å; D66-E70 PolarHBondContact O-N 3.37Å
67G54.1Low51.5Low25 Ų2598.2 Ų98.226%0.25853%0.528SS..Hα-helixtrans-64.4-40.9174.100000113.2I63 C71I63-G67 PolarHBondContact O-N 2.99Å; G67-C71 VanDerWaalsContact O-CB 3.31Å; G67-C71 WeakPolarHBondContact O-CB 3.26Å; G67-C71 PolarHBondContact O-N 2.8Å
68A49.3Very low52.2Low57 Ų5793.1 Ų93.147%0.47152%0.522SS..Hα-helixtrans-67.1-38.5174.400000112.1I64 V65 G72I64-A68 WeakPolarHBondContact O-CB 3.28Å; I64-A68 PolarHBondContact O-N 2.69Å; V65-A68 PolarHBondContact O-N 2.59Å; A68-G72 PolarHBondContact O-N 3.46Å
69L55.2Low52.7Low115 Ų11591.3 Ų91.360%0.60250%0.499SS*.Hα-helixtrans-66.6-44177-128.1100.4000111.7V65 D66 C71 G72 K73V65-L69 HydrophobicContact CG1-CD1 4.38Å; V65-L69 WeakPolarHBondContact O-CB 3.35Å; V65-L69 PolarHBondContact O-N 3.37Å; D66-L69 PolarHBondContact O-N 3.33Å; L69-C71 VanDerWaalsContact C-N 3.33Å; L69-G72 PolarHBondContact O-N 3.07Å; L69-K73 WeakPolarHBondContact O-CB 3.03Å; L69-K73 PolarHBondContact O-N 2.73Å
70E55.7Low53.2Low105 Ų10591.6 Ų91.649%0.49151%0.51SS..Hα-helixtrans-67.4-36.6179.8-158.672.6-163.300111.1D66 K73 R74D66-E70 WeakPolarHBondContact O-CB 3.39Å; D66-E70 PolarHBondContact O-N 3.37Å; E70-K73 PolarHBondContact O-N 2.87Å; E70-R74 PolarHBondContact O-N 3.02Å; E70-R74 VanDerWaalsContact O-N 3.1Å
71C51.8Low53.8Low59 Ų5994.9 Ų94.940%0.39952%0.516SS..Hα-helixtrans-67.2-44.4173.9-154.70000111.1G67 L69 K73 R74 C75G67-C71 VanDerWaalsContact O-CB 3.31Å; G67-C71 WeakPolarHBondContact O-CB 3.26Å; G67-C71 PolarHBondContact O-N 2.8Å; L69-C71 VanDerWaalsContact C-N 3.33Å; C71-K73 VanDerWaalsContact C-N 3.32Å; C71-K73 PolarHBondContact O-N 3.27Å; C71-R74 PolarHBondContact O-N 3.37Å; C71-C75 PolarHBondContact O-N 2.81Å
72G56.9Low54Low32 Ų3293.1 Ų93.133%0.3352%0.515SS..Hα-helixtrans-60.3-40.5174.100000112.6A68 L69 C75 I76A68-G72 PolarHBondContact O-N 3.46Å; L69-G72 PolarHBondContact O-N 3.07Å; G72-C75 PolarHBondContact O-N 2.78Å; G72-I76 VanDerWaalsContact O-CG1 3.27Å; G72-I76 WeakPolarHBondContact O-CG1 3.23Å; G72-I76 PolarHBondContact O-N 2.97Å
73K58.9Low54.5Low123 Ų12392.4 Ų92.454%0.53551%0.512SS..Hα-helixtrans-63.6-43.7177.4-167.3177.8179.1-174.80112.3L69 E70 C71 C75 I76 D77L69-K73 WeakPolarHBondContact O-CB 3.03Å; L69-K73 PolarHBondContact O-N 2.73Å; E70-K73 PolarHBondContact O-N 2.87Å; C71-K73 VanDerWaalsContact C-N 3.32Å; C71-K73 PolarHBondContact O-N 3.27Å; K73-C75 VanDerWaalsContact C-N 3.31Å; K73-C75 PolarHBondContact O-N 3.29Å; K73-I76 PolarHBondContact O-N 2.94Å; K73-D77 PolarHBondContact O-N 3.35Å
74R53.5Low54.7Low191 Ų19189 Ų8972%0.72150%0.497SS*.Hα-helixtrans-65.6-32175-72.9-174.8-175.1-172.42.2113.2E70 C71E70-R74 PolarHBondContact O-N 3.02Å; E70-R74 VanDerWaalsContact O-N 3.1Å; C71-R74 PolarHBondContact O-N 3.37Å
75C54.5Low55.4Low53 Ų5390 Ų9036%0.35850%0.502SS..Hα-helixtrans-69.4-44172-77.90000111.5C71 G72 K73 D77 G78 L79C71-C75 PolarHBondContact O-N 2.81Å; G72-C75 PolarHBondContact O-N 2.78Å; K73-C75 VanDerWaalsContact C-N 3.31Å; K73-C75 PolarHBondContact O-N 3.29Å; C75-D77 VanDerWaalsContact C-N 3.31Å; C75-D77 PolarHBondContact O-N 3.17Å; C75-G78 PolarHBondContact O-N 3.29Å; C75-G78 VanDerWaalsContact O-N 3.14Å; C75-L79 HydrophobicContact CB-CD1 4.43Å; C75-L79 WeakPolarHBondContact O-CD1 3.04Å; C75-L79 PolarHBondContact O-N 3.1Å
76I56.2Low55.8Low103 Ų10391 Ų9153%0.52850%0.499SS..Hα-helixtrans-63-36.8179.4-69164.6000111.7G72 K73 G78G72-I76 VanDerWaalsContact O-CG1 3.27Å; G72-I76 WeakPolarHBondContact O-CG1 3.23Å; G72-I76 PolarHBondContact O-N 2.97Å; K73-I76 PolarHBondContact O-N 2.94Å; I76-G78 PolarHBondContact O-N 2.91Å
77D57.4Low56.3Low128 Ų12891.8 Ų91.868%0.68450%0.496SS*.THydrogen-bonded Turntrans-70.2-14178.6-70.8-24.4000113.5K73 C75K73-D77 PolarHBondContact O-N 3.35Å; C75-D77 VanDerWaalsContact C-N 3.31Å; C75-D77 PolarHBondContact O-N 3.17Å
78G56.8Low56.9Low67 Ų6796 Ų9669%0.69151%0.512SS*.THydrogen-bonded Turntrans-108.1-13.8-176.800000115.8C75 I76C75-G78 PolarHBondContact O-N 3.29Å; C75-G78 VanDerWaalsContact O-N 3.14Å; I76-G78 PolarHBondContact O-N 2.91Å
79L51.7Low57.4Low61 Ų6197 Ų9732%0.31952%0.516SS..SBendtrans-101141.5-177.5-85.299000112C75 E83C75-L79 HydrophobicContact CB-CD1 4.43Å; C75-L79 WeakPolarHBondContact O-CD1 3.04Å; C75-L79 PolarHBondContact O-N 3.1Å; L79-E83 HydrophobicContact CD2-CB 3.69Å; L79-E83 WeakPolarHBondContact CD2-OE2 3.37Å
80A55.9Low58Low64 Ų6494 Ų9453%0.52950%0.502SS..  trans-58.4143.7170.900000110.2D82 E83A80-D82 PolarHBondContact O-N 2.96Å; A80-E83 PolarHBondContact O-N 2.86Å
81K58.6Low58.5Low162 Ų16290.9 Ų90.970%0.70450%0.498SS*.Hα-helixtrans-50.4-30.7-172.1-72.5-178.1176.5-177.40113.9
82D54.5Low59Low139 Ų13991.1 Ų91.174%0.74350%0.5SS*.Hα-helixtrans-77.3-27.4-176.8-58.1-32.2000113.2A80A80-D82 PolarHBondContact O-N 2.96Å
83E57.4Low59Low106 Ų10695.4 Ų95.450%0.49551%0.51SS..Hα-helixtrans-80.1-27.7179.6-62.3-166.316700111.8L79 A80 I85 F86 W87L79-E83 HydrophobicContact CD2-CB 3.69Å; L79-E83 WeakPolarHBondContact CD2-OE2 3.37Å; A80-E83 PolarHBondContact O-N 2.86Å; E83-I85 VanDerWaalsContact C-N 3.32Å; E83-I85 PolarHBondContact O-N 3.29Å; E83-F86 PolarHBondContact O-N 3.42Å; E83-W87 PolarHBondContact O-N 3.22Å; E83-W87 VanDerWaalsContact O-N 3.17Å
84C56.1Low59.1Low27 Ų2792.7 Ų92.718%0.18250%0.504CS..Hα-helixtrans-61.5-36.5178.2-72.10000113L88C84-L88 WeakPolarHBondContact O-CB 3.45Å; C84-L88 VanDerWaalsContact O-CG 3.3Å; C84-L88 WeakPolarHBondContact O-CG 3.48Å; C84-L88 PolarHBondContact O-N 2.85Å
85I60.6Low59.2Low105 Ų10588 Ų8854%0.53850%0.501SS..Hα-helixtrans-69-40.7179.8-64.1173.2000110.7E83 L88 S89E83-I85 VanDerWaalsContact C-N 3.32Å; E83-I85 PolarHBondContact O-N 3.29Å; I85-L88 PolarHBondContact O-N 2.66Å; I85-S89 WeakPolarHBondContact O-CB 3.08Å; I85-S89 PolarHBondContact O-N 3.44Å
86F64.8Low59.2Low105 Ų10591.1 Ų91.146%0.46151%0.513SS..Hα-helixtrans-61.9-46.7176.9-178.6-99.7000111.2E83 S89 V90E83-F86 PolarHBondContact O-N 3.42Å; F86-S89 WeakPolarHBondContact O-CB 3.33Å; F86-S89 PolarHBondContact O-N 3.12Å; F86-V90 HydrophobicContact CD1-CG2 4.11Å; F86-V90 HydrophobicContact CE1-CG2 3.71Å; F86-V90 HydrophobicContact CE2-CG2 4.22Å; F86-V90 HydrophobicContact CZ-CG2 3.77Å; F86-V90 WeakPolarHBondContact O-CG2 3.35Å; F86-V90 PolarHBondContact O-N 3.28Å
87W63Low58.9Low100 Ų10091.7 Ų91.738%0.37951%0.511SS..Hα-helixtrans-72.1-31-179.1-69.8112.4000113.8E83 S89 V90 G91E83-W87 PolarHBondContact O-N 3.22Å; E83-W87 VanDerWaalsContact O-N 3.17Å; W87-S89 VanDerWaalsContact C-N 3.32Å; W87-V90 HydrophobicContact CE3-CB 4.48Å; W87-G91 PolarHBondContact O-N 2.77Å
88L65.6Low58.6Low114 Ų11490.3 Ų90.360%0.59751%0.512SS*.Hα-helixtrans-64.9-38169.1-75.2172.2000111.3C84 I85 S92C84-L88 WeakPolarHBondContact O-CB 3.45Å; C84-L88 VanDerWaalsContact O-CG 3.3Å; C84-L88 WeakPolarHBondContact O-CG 3.48Å; C84-L88 PolarHBondContact O-N 2.85Å; I85-L88 PolarHBondContact O-N 2.66Å; L88-S92 WeakPolarHBondContact O-CB 3.4Å; L88-S92 PolarHBondContact O-N 3.25Å
89S60.9Low58Low78 Ų7890.6 Ų90.655%0.54550%0.497SS..Hα-helixtrans-65.9-49.4174.8177.40000111.9I85 F86 W87 S92 F93I85-S89 WeakPolarHBondContact O-CB 3.08Å; I85-S89 PolarHBondContact O-N 3.44Å; F86-S89 WeakPolarHBondContact O-CB 3.33Å; F86-S89 PolarHBondContact O-N 3.12Å; W87-S89 VanDerWaalsContact C-N 3.32Å; S89-S92 PolarHBondContact O-N 3.43Å; S89-F93 VanDerWaalsContact O-CB 3.27Å; S89-F93 WeakPolarHBondContact O-CB 3.45Å; S89-F93 PolarHBondContact O-N 3.03Å
90V67.4Low57.7Low51 Ų5191.4 Ų91.431%0.30951%0.506SS..Hα-helixtrans-65.5-42.3178.8176.40000111.3F86 W87 F93 V94F86-V90 HydrophobicContact CD1-CG2 4.11Å; F86-V90 HydrophobicContact CE1-CG2 3.71Å; F86-V90 HydrophobicContact CE2-CG2 4.22Å; F86-V90 HydrophobicContact CZ-CG2 3.77Å; F86-V90 WeakPolarHBondContact O-CG2 3.35Å; F86-V90 PolarHBondContact O-N 3.28Å; W87-V90 HydrophobicContact CE3-CB 4.48Å; V90-F93 PolarHBondContact O-N 3.38Å; V90-V94 HydrophobicContact CG1-CG2 4.5Å; V90-V94 VanDerWaalsContact O-CG2 3.3Å; V90-V94 WeakPolarHBondContact O-CG2 3.42Å; V90-V94 PolarHBondContact O-N 2.75Å
91G65Low57.5Low40 Ų4097.5 Ų97.541%0.41252%0.521SS..Hα-helixtrans-64.9-42176.700000112.6W87 V94 S95W87-G91 PolarHBondContact O-N 2.77Å; G91-V94 PolarHBondContact O-N 3.49Å; G91-S95 VanDerWaalsContact O-CB 3.31Å; G91-S95 WeakPolarHBondContact O-CB 3.17Å; G91-S95 PolarHBondContact O-N 3.06Å
92S62.8Low56.8Low64 Ų6498.4 Ų98.445%0.44852%0.524SS..Hα-helixtrans-67-38.6175.1-159.30000111.3L88 S89 S95 I96L88-S92 WeakPolarHBondContact O-CB 3.4Å; L88-S92 PolarHBondContact O-N 3.25Å; S89-S92 PolarHBondContact O-N 3.43Å; S92-S95 PolarHBondContact O-N 3.27Å; S92-I96 WeakPolarHBondContact O-CB 3.43Å; S92-I96 WeakPolarHBondContact O-CD1 3.3Å; S92-I96 WeakPolarHBondContact O-CG1 3.08Å; S92-I96 PolarHBondContact O-N 2.91Å
93F58.4Low56.5Low122 Ų12299.9 Ų99.954%0.53552%0.52SS..Hα-helixtrans-61.4-49.8174.1-163.4-91.4000111.3S89 V90 S95 I96 F97S89-F93 VanDerWaalsContact O-CB 3.27Å; S89-F93 WeakPolarHBondContact O-CB 3.45Å; S89-F93 PolarHBondContact O-N 3.03Å; V90-F93 PolarHBondContact O-N 3.38Å; F93-S95 VanDerWaalsContact C-N 3.27Å; F93-S95 PolarHBondContact O-N 3.14Å; F93-I96 PolarHBondContact O-N 3.25Å; F93-F97 AromaticContact CD1-CD2 3.77Å; F93-F97 HydrophobicContact CD1-CD2 3.77Å; F93-F97 HydrophobicContact CD1-CE2 4.26Å; F93-F97 AromaticContact CD2-CD2 3.88Å; F93-F97 HydrophobicContact CD2-CD2 3.88Å; F93-F97 AromaticContact CD2-CE2 3.57Å; F93-F97 HydrophobicContact CD2-CE2 3.57Å; F93-F97 AromaticContact CE1-CD2 3.71Å; F93-F97 HydrophobicContact CE1-CD2 3.71Å; F93-F97 HydrophobicContact CE1-CE2 4Å; F93-F97 HydrophobicContact CE1-CG 4.43Å; F93-F97 AromaticContact CE2-CD2 3.82Å; F93-F97 HydrophobicContact CE2-CD2 3.82Å; F93-F97 AromaticContact CE2-CE2 3.28Å; F93-F97 HydrophobicContact CE2-CE2 3.28Å; F93-F97 HydrophobicContact CE2-CZ 4.1Å; F93-F97 AromaticContact CG-CD2 3.85Å; F93-F97 HydrophobicContact CG-CD2 3.85Å; F93-F97 HydrophobicContact CG-CE2 4.06Å; F93-F97 AromaticContact CZ-CD2 3.73Å; F93-F97 HydrophobicContact CZ-CD2 3.73Å; F93-F97 AromaticContact CZ-CE2 3.51Å; F93-F97 HydrophobicContact CZ-CE2 3.51Å; F93-F97 HydrophobicContact CZ-CZ 4.19Å; F93-F97 WeakPolarHBondContact O-CB 3.33Å; F93-F97 VanDerWaalsContact O-CD2 3.22Å; F93-F97 WeakPolarHBondContact O-CD2 3.38Å; F93-F97 PolarHBondContact O-N 3Å
94V60.7Low56Low67 Ų6799.3 Ų99.341%0.40652%0.519SS..Hα-helixtrans-63.3-34.9178175.30000111.8V90 G91 I104V90-V94 HydrophobicContact CG1-CG2 4.5Å; V90-V94 VanDerWaalsContact O-CG2 3.3Å; V90-V94 WeakPolarHBondContact O-CG2 3.42Å; V90-V94 PolarHBondContact O-N 2.75Å; G91-V94 PolarHBondContact O-N 3.49Å; V94-I104 HydrophobicContact CG1-CD1 4.42Å
95S55.4Low55.2Low93 Ų93100.8 Ų100.865%0.6553%0.533SS*.Hα-helixtrans-75.5-37178.9-156.40000113.3G91 S92 F93G91-S95 VanDerWaalsContact O-CB 3.31Å; G91-S95 WeakPolarHBondContact O-CB 3.17Å; G91-S95 PolarHBondContact O-N 3.06Å; S92-S95 PolarHBondContact O-N 3.27Å; F93-S95 VanDerWaalsContact C-N 3.27Å; F93-S95 PolarHBondContact O-N 3.14Å
96I54Low54.2Low118 Ų118101.2 Ų101.261%0.60554%0.544SS*.Hα-helixtrans-69.8-42176.8-71.6165.7000110.4S92 F93 S98S92-I96 WeakPolarHBondContact O-CB 3.43Å; S92-I96 WeakPolarHBondContact O-CD1 3.3Å; S92-I96 WeakPolarHBondContact O-CG1 3.08Å; S92-I96 PolarHBondContact O-N 2.91Å; F93-I96 PolarHBondContact O-N 3.25Å; I96-S98 VanDerWaalsContact C-N 3.29Å; I96-S98 PolarHBondContact O-N 3.17Å
97F50.1Low53.1Low114 Ų114102 Ų10250%0.555%0.553SS.*THydrogen-bonded Turntrans-82.3-1.1-173-77.1-76.7000114.9F93 L99F93-F97 AromaticContact CD1-CD2 3.77Å; F93-F97 HydrophobicContact CD1-CD2 3.77Å; F93-F97 HydrophobicContact CD1-CE2 4.26Å; F93-F97 AromaticContact CD2-CD2 3.88Å; F93-F97 HydrophobicContact CD2-CD2 3.88Å; F93-F97 AromaticContact CD2-CE2 3.57Å; F93-F97 HydrophobicContact CD2-CE2 3.57Å; F93-F97 AromaticContact CE1-CD2 3.71Å; F93-F97 HydrophobicContact CE1-CD2 3.71Å; F93-F97 HydrophobicContact CE1-CE2 4Å; F93-F97 HydrophobicContact CE1-CG 4.43Å; F93-F97 AromaticContact CE2-CD2 3.82Å; F93-F97 HydrophobicContact CE2-CD2 3.82Å; F93-F97 AromaticContact CE2-CE2 3.28Å; F93-F97 HydrophobicContact CE2-CE2 3.28Å; F93-F97 HydrophobicContact CE2-CZ 4.1Å; F93-F97 AromaticContact CG-CD2 3.85Å; F93-F97 HydrophobicContact CG-CD2 3.85Å; F93-F97 HydrophobicContact CG-CE2 4.06Å; F93-F97 AromaticContact CZ-CD2 3.73Å; F93-F97 HydrophobicContact CZ-CD2 3.73Å; F93-F97 AromaticContact CZ-CE2 3.51Å; F93-F97 HydrophobicContact CZ-CE2 3.51Å; F93-F97 HydrophobicContact CZ-CZ 4.19Å; F93-F97 WeakPolarHBondContact O-CB 3.33Å; F93-F97 VanDerWaalsContact O-CD2 3.22Å; F93-F97 WeakPolarHBondContact O-CD2 3.38Å; F93-F97 PolarHBondContact O-N 3Å; F97-L99 HydrophobicContact CB-CG 4.27Å; F97-L99 PolarHBondContact O-N 3.03Å
98S50.9Low51.6Low100 Ų100100 Ų10070%0.69955%0.554SS**THydrogen-bonded Turntrans36.444.7173.5-79.50000112.4I96 P100I96-S98 VanDerWaalsContact C-N 3.29Å; I96-S98 PolarHBondContact O-N 3.17Å; S98-P100 VanDerWaalsContact O-N 3.12Å
99L43.6Very low50.3Low72 Ų7299.9 Ų99.938%0.37756%0.56SS.*  trans-60.6124.4-174.5-76.9165.3000106.5F97 K101 W103F97-L99 HydrophobicContact CB-CG 4.27Å; F97-L99 PolarHBondContact O-N 3.03Å; L99-K101 PolarHBondContact O-N 3.48Å; L99-W103 HydrophobicContact CD2-CE3 4.5Å
100P45.8Very low49.1Very low79 Ų79101.5 Ų101.551%0.51357%0.569SS.*  trans-54.3133.7-177.220.1-30.6000108S98 K102 W103S98-P100 VanDerWaalsContact O-N 3.12Å; P100-K102 PolarHBondContact O-N 2.88Å; P100-W103 PolarHBondContact O-N 3.46Å
101K51.3Low47.5Very low192 Ų192102.5 Ų102.584%0.83558%0.578SS**Hα-helixtrans-45-19.2-175.4-66.1-179.6177.1179.30115.2L99L99-K101 PolarHBondContact O-N 3.48Å
102K44.2Very low46Very low180 Ų180107.8 Ų107.878%0.78360%0.597SS**Hα-helixtrans-69.8-26.1174.1-63.7-172.4175-173.10114.6P100P100-K102 PolarHBondContact O-N 2.88Å
103W48.4Very low44.8Very low170 Ų170114 Ų11464%0.64462%0.616SS**Hα-helixtrans-83.5-31.5179.6-82.148.7000112.5L99 P100 A105 C106L99-W103 HydrophobicContact CD2-CE3 4.5Å; P100-W103 PolarHBondContact O-N 3.46Å; W103-A105 VanDerWaalsContact C-N 3.26Å; W103-A105 PolarHBondContact O-N 2.87Å; W103-C106 WeakPolarHBondContact O-CB 3.49Å; W103-C106 PolarHBondContact O-N 3.48Å; W103-C106 VanDerWaalsContact O-N 3.13Å
104I47.3Very low43.6Very low94 Ų94113.2 Ų113.248%0.48263%0.632SS.*Hα-helixtrans-68.2-28.9174.4-65.4170.7000111.1V94 C106 L107V94-I104 HydrophobicContact CG1-CD1 4.42Å; I104-C106 PolarHBondContact O-N 3.12Å; I104-L107 PolarHBondContact O-N 3.3Å
105A39.8Very low42.6Very low58 Ų58117.7 Ų117.748%0.47965%0.653SS.*G310 helixtrans-71.6-15.4173.300000114W103 L107W103-A105 VanDerWaalsContact C-N 3.26Å; W103-A105 PolarHBondContact O-N 2.87Å; A105-L107 VanDerWaalsContact C-N 3.35Å
106C39.1Very low41.8Very low114 Ų114120.7 Ų120.777%0.7766%0.662SS**G310 helixtrans-86.6-6.7-179.8-142.80000112.9W103 I104 C108W103-C106 WeakPolarHBondContact O-CB 3.49Å; W103-C106 PolarHBondContact O-N 3.48Å; W103-C106 VanDerWaalsContact O-N 3.13Å; I104-C106 PolarHBondContact O-N 3.12Å; C106-C108 VanDerWaalsContact C-N 3.34Å
107L41.7Very low40.8Very low123 Ų123118.3 Ų118.364%0.64467%0.667SS**G310 helixtrans-93.36.7174.7-74161.8000112.6I104 A105 P109I104-L107 PolarHBondContact O-N 3.3Å; A105-L107 VanDerWaalsContact C-N 3.35Å; L107-P109 WeakPolarHBondContact O-CD 3.44Å
108C31Very low40.4Very low58 Ų58121 Ų12139%0.39269%0.687SS.*  trans-96.8115176.3-168.20000109.3C106 C110C106-C108 VanDerWaalsContact C-N 3.34Å; C108-C110 PolarHBondContact O-N 3.41Å
109P38.6Very low39.7Very low111 Ų111121.4 Ų121.472%0.72169%0.689SS**THydrogen-bonded Turntrans-63.22177.7-21.533.5000115.1L107L107-P109 WeakPolarHBondContact O-CD 3.44Å
110C35.2Very low39.7Very low111 Ų111125.3 Ų125.375%0.7571%0.711SS**THydrogen-bonded Turntrans-108.3-1-169.3-45.30000114.1C108C108-C110 PolarHBondContact O-N 3.41Å
111C33.6Very low39.3Very low73 Ų73130.3 Ų130.349%0.49373%0.727SS.*  trans-109.158.6-167.8-51.30000112.9F113C111-F113 PolarHBondContact O-N 2.94Å
112N34.5Very low38.9Very low151 Ų151132.7 Ų132.781%0.80773%0.731SS**  trans-8691.3171-134.7-2.5000109A114N112-A114 PolarHBondContact O-N 2.68Å
113F37Very low39Very low195 Ų195129.3 Ų129.386%0.85573%0.73SS**  trans-72.3105.9165.2-91.4-90.2000107.6C111 D115C111-F113 PolarHBondContact O-N 2.94Å; F113-D115 PolarHBondContact O-N 2.94Å
114A33.1Very low38.5Very low104 Ų104131.1 Ų131.186%0.8674%0.742SS**  trans-61.8114167.400000108.9N112N112-A114 PolarHBondContact O-N 2.68Å
115D39.7Very low38.1Very low161 Ų161134.1 Ų134.186%0.86176%0.758SS**  trans-127142.3161.3-162.620.5000108.8F113F113-D115 PolarHBondContact O-N 2.94Å
116D38.4Very low38.1Very low157 Ų157138.1 Ų138.184%0.8477%0.771SS**  trans-81.6140.9-152.7-163.324.5000112.7
117G34.3Very low37.8Very low68 Ų68140.4 Ų140.470%0.70177%0.77SS**  trans62.494.9154.100000120
118D40Very low37.4Very low171 Ų171137.7 Ų137.791%0.91477%0.772SS**  -167.5124.5112.3-133.1-13.5000109.8
119S36.4Very low37.8Very low107 Ų107141.9 Ų141.975%0.74879%0.786SS**  trans-95.9115.2-175.646.40000110.6
120D43.4Very low37.5Very low155 Ų155146 Ų14683%0.82980%0.795SS**  trans-154.798.8158.3-103.1-18.5000113.2
121E37.4Very low37.6Very low184 Ų184144.4 Ų144.486%0.8679%0.786SS**  trans29.178.7136.4-47.1-162.9143.800122.5
122R43.1Very low37.5Very low242 Ų242146.7 Ų146.791%0.91380%0.802SS**SBendtrans178.3125.7130.7-109.2170.3152.9154.6-6.6111.3
123S46.6Very low37.3Very low109 Ų109144.1 Ų144.176%0.76280%0.796SS**  trans92.368.6178.6-41.90000115.6L125S123-L125 VanDerWaalsContact C-N 3.31Å; S123-L125 PolarHBondContact O-N 3.24Å
124K38.7Very low37.1Very low208 Ų208140.9 Ų140.990%0.90479%0.792SS**  trans-64.992.9149.2-78.6-177.8174.1-175.50108.4
125L39Very low37.1Very low157 Ų157139.8 Ų139.882%0.82278%0.784SS**  trans-11456.6161.9-79.5178.1000109.3S123S123-L125 VanDerWaalsContact C-N 3.31Å; S123-L125 PolarHBondContact O-N 3.24Å
126L38.5Very low36.7Very low141 Ų141138.4 Ų138.474%0.73878%0.781SS**  trans-148.1158.6167-75.1176.3000109.1
127E33.8Very low36.3Very low162 Ų162138.9 Ų138.976%0.75778%0.778SS**  trans91.173.5173.6-12371.4-134.400116.6
128G34Very low36Very low67 Ų67140.1 Ų140.169%0.69178%0.775SS**  trans-139.849.7162.100000110.4H130G128-H130 PolarHBondContact O-N 3.21Å
129Q38.1Very low35.6Very low146 Ų146136.8 Ų136.868%0.68276%0.764SS**  trans-57118.2177-160.1173.6-90.300109.8S131Q129-S131 WeakPolarHBondContact CG-OG 3.45Å; Q129-S131 PolarHBondContact NE2-OG 3.48Å; Q129-S131 PolarHBondContact O-N 3.43Å
130H32.9Very low35.1Very low196 Ų196139 Ų13991%0.90777%0.773SS**  trans-65.485.5162.4-64.4-102.5000108.1G128G128-H130 PolarHBondContact O-N 3.21Å
131S37Very low34.7Very low79 Ų79135.5 Ų135.555%0.55277%0.765SS**  trans-100.381.3168.2-56.20000108.7Q129Q129-S131 WeakPolarHBondContact CG-OG 3.45Å; Q129-S131 PolarHBondContact NE2-OG 3.48Å; Q129-S131 PolarHBondContact O-N 3.43Å
132S31.1Very low34.3Very low120 Ų120133.9 Ų133.984%0.83976%0.763SS**  trans-65.8130.5148.7176.80000107.2
133S31.9Very low34.1Very low98 Ų98128.2 Ų128.269%0.68576%0.755SS**SBendtrans9492.2165.3-1400000117.2
134T32.1Very low33.6Very low126 Ų126131.3 Ų131.377%0.77376%0.757SS**  81.3103.9124.3-43.90000117.6
135A32.9Very low33.6Very low82 Ų82130.4 Ų130.468%0.67876%0.756SS**  trans104.2128.1137.500000119.2
136T32Very low33.3Very low132 Ų132127.8 Ų127.881%0.8175%0.751SS**  trans80.591.3146.412.40000116.9
137H30.1Very low33.3Very low167 Ų167127.8 Ų127.877%0.77376%0.756SS**  81.1110.486.7-156.6-76.3000113
138C27.7Very low33.5Very low93 Ų93129.4 Ų129.463%0.62876%0.761SS**  136105.2122.2-137.20000112.9
139C30Very low33.8Very low101 Ų101132.3 Ų132.368%0.68277%0.765SS**  94.195.195.6-56.60000112.3
140T27.9Very low33.8Very low154 Ų154130.7 Ų130.795%0.94577%0.765SS**  trans-95.3107151.735.70000108
141A34Very low34Very low81 Ų81129.2 Ų129.267%0.66976%0.759SS**  trans-105.5128.1170.800000109.3
142D29.6Very low34Very low151 Ų151132.4 Ų132.481%0.80777%0.77SS**  trans52122.2146.8-62.8-45.7000120
143V37.5Very low34.5Very low122 Ų122134.4 Ų134.474%0.73977%0.768SS**  -171.7106.799.3168.40000109.6
144Q37.8Very low34.7Very low175 Ų175137.3 Ų137.382%0.81878%0.776SS**  trans44.6121.6134-53175.8-2.400119.7
145Q36.9Very low35.4Very low188 Ų188136.4 Ų136.488%0.87977%0.774SS**  -175.8103.6105.1-163.71487.200113.5
146S33.1Very low36.3Very low102 Ų102136.4 Ų136.471%0.71377%0.766SS**  trans56.7100.7131.8-176.50000121.7
147V38.6Very low37.2Very low141 Ų141138.3 Ų138.386%0.85577%0.766SS**  -142.8113.4124.8179.90000109.5
148K37.6Very low38.2Very low197 Ų197135.8 Ų135.886%0.85776%0.762SS**  trans-75.5121169.7-80.1173.3171.7176.80110
149V40.9Very low39.6Very low128 Ų128135 Ų13578%0.77675%0.754SS**  trans-142.995143.8-1770000109.1
150T37.6Very low41.4Very low112 Ų112134.8 Ų134.869%0.68775%0.747SS**  trans26.7104.8138.1-37.40000119.9
151Q38.4Very low43.9Very low165 Ų165132.7 Ų132.777%0.77173%0.73SS**  39.6116.4123.2-56.8172-20.500118.1
152N36.4Very low46.5Very low146 Ų146135.5 Ų135.578%0.78173%0.729SS**  -178.7120.5113.6-86.2-20.6000113.9
153M42.4Very low49.4Very low162 Ų162134.4 Ų134.480%0.79872%0.719SS**  trans63.893136-53.6-159.986.700120.8
154D35.9Very low51.9Low159 Ų159133.4 Ų133.485%0.8571%0.706SS**  38.393.9109-149.712.3000117.2
155S47.2Very low54.4Low107 Ų107131.5 Ų131.575%0.74870%0.696SS**  trans170.11.3149.5430000115.3
156T50Low57.1Low82 Ų82126.9 Ų126.950%0.50368%0.676SS.*  trans-106.911.5-169.350.20000116.5T158 T159T156-T158 VanDerWaalsContact C-N 3.27Å; T156-T158 PolarHBondContact O-N 3.27Å; T156-T158 VanDerWaalsContact O-N 3.16Å; T156-T159 PolarHBondContact O-N 3Å; T156-T159 PolarHBondContact O-OG1 3.25Å
157Q51.3Low59.9Low171 Ų171126 Ų12680%0.79966%0.664SS**THydrogen-bonded Turntrans-70.2-15.2-168.8-124.2174.86.600115.5
158T51.7Low62.4Low114 Ų114124.8 Ų124.870%0.69965%0.647SS**THydrogen-bonded Turntrans-90.8-21.1176.451.70000113.7T156T156-T158 VanDerWaalsContact C-N 3.27Å; T156-T158 PolarHBondContact O-N 3.27Å; T156-T158 VanDerWaalsContact O-N 3.16Å
159T57.4Low65Low76 Ų76117.9 Ų117.947%0.46662%0.621SS.*Hα-helixtrans-84.9-24179.951.90000112.6T156 Q163T156-T159 PolarHBondContact O-N 3Å; T156-T159 PolarHBondContact O-OG1 3.25Å; T159-Q163 WeakPolarHBondContact O-CB 3.41Å; T159-Q163 PolarHBondContact O-N 3.36Å
160D68Low67.5Low97 Ų97117.5 Ų117.552%0.51961%0.614SS.*Hα-helixtrans-69.5-36.3179.2-74.8-18.9000111.9Q163 E164D160-Q163 PolarHBondContact O-N 2.99Å; D160-E164 WeakPolarHBondContact O-CB 3.26Å; D160-E164 PolarHBondContact O-N 2.93Å
161D79.4Confident70.1Confident111 Ų111117.9 Ų117.959%0.59461%0.608SS**Hα-helixtrans-67.6-42178.3-71.7-16.7000112.3Q163 E164 F165D161-Q163 VanDerWaalsContact C-N 3.32Å; D161-E164 PolarHBondContact O-N 3.42Å; D161-F165 WeakPolarHBondContact O-CB 3.42Å; D161-F165 PolarHBondContact O-N 3.25Å
162E89Confident72.7Confident139 Ų139115.2 Ų115.265%0.6560%0.596SS**Hα-helixtrans-64.6-39.5175.3-68.9-170.3156.200111F165 L166E162-F165 PolarHBondContact O-N 2.96Å; E162-L166 WeakPolarHBondContact O-CB 3.28Å; E162-L166 VanDerWaalsContact O-CG 3.24Å; E162-L166 WeakPolarHBondContact O-CG 3.48Å; E162-L166 PolarHBondContact O-N 3.23Å
163Q89.6Confident75.4Confident129 Ų129111.7 Ų111.760%0.60358%0.579SS**Hα-helixtrans-70.4-36.9177.9-166.371.6-15.700112.3T159 D160 D161 L166 N167T159-Q163 WeakPolarHBondContact O-CB 3.41Å; T159-Q163 PolarHBondContact O-N 3.36Å; D160-Q163 PolarHBondContact O-N 2.99Å; D161-Q163 VanDerWaalsContact C-N 3.32Å; Q163-L166 PolarHBondContact O-N 2.91Å; Q163-N167 WeakPolarHBondContact O-CB 3.44Å; Q163-N167 PolarHBondContact O-N 3.19Å
164E90.3Very high77.7Confident101 Ų101107.6 Ų107.647%0.47257%0.571SS.*Hα-helixtrans-66.2-42.5173.3-167.7-170.7141.800111.3D160 D161 N167 K168D160-E164 WeakPolarHBondContact O-CB 3.26Å; D160-E164 PolarHBondContact O-N 2.93Å; D161-E164 PolarHBondContact O-N 3.42Å; E164-N167 PolarHBondContact O-N 3.45Å; E164-K168 WeakPolarHBondContact O-CG 3.35Å; E164-K168 PolarHBondContact O-N 3.42Å; E164-K168 VanDerWaalsContact OE1-CE 3.26Å; E164-K168 WeakPolarHBondContact OE1-CE 3.27Å; E164-K168 IonicContact OE1-NZ 2.65Å; E164-K168 PolarHBondContact OE1-NZ 3.43Å
165F91.3Very high80.2Confident135 Ų135104.5 Ų104.559%0.59256%0.562SS**Hα-helixtrans-61-46.4174.4177.1-101000111.6D161 E162 N167 K168 V169D161-F165 WeakPolarHBondContact O-CB 3.42Å; D161-F165 PolarHBondContact O-N 3.25Å; E162-F165 PolarHBondContact O-N 2.96Å; F165-N167 VanDerWaalsContact C-N 3.31Å; F165-N167 PolarHBondContact O-N 2.92Å; F165-K168 WeakPolarHBondContact O-CB 3.36Å; F165-K168 PolarHBondContact O-N 3.3Å; F165-V169 HydrophobicContact CD1-CG2 4.24Å; F165-V169 HydrophobicContact CE1-CG2 3.81Å; F165-V169 HydrophobicContact CE2-CG2 4.14Å; F165-V169 HydrophobicContact CZ-CG2 3.75Å; F165-V169 WeakPolarHBondContact O-CG2 3.43Å; F165-V169 PolarHBondContact O-N 3.48Å
166L92.3Very high82.3Confident90 Ų90103.7 Ų103.747%0.47155%0.547SS..Hα-helixtrans-60.9-40175.5-73.6168.8000111.8E162 Q163 V169 L170E162-L166 WeakPolarHBondContact O-CB 3.28Å; E162-L166 VanDerWaalsContact O-CG 3.24Å; E162-L166 WeakPolarHBondContact O-CG 3.48Å; E162-L166 PolarHBondContact O-N 3.23Å; Q163-L166 PolarHBondContact O-N 2.91Å; L166-V169 PolarHBondContact O-N 2.85Å; L166-L170 WeakPolarHBondContact O-CB 3.27Å; L166-L170 VanDerWaalsContact O-CG 3.3Å; L166-L170 WeakPolarHBondContact O-CG 3.3Å; L166-L170 PolarHBondContact O-N 3.27Å
167N92.2Very high84.2Confident84 Ų84104.4 Ų104.445%0.44955%0.551SS.*Hα-helixtrans-64.7-42.5175.7-166.3-3.5000111.7Q163 E164 F165 V169 L170 Q171Q163-N167 WeakPolarHBondContact O-CB 3.44Å; Q163-N167 PolarHBondContact O-N 3.19Å; E164-N167 PolarHBondContact O-N 3.45Å; F165-N167 VanDerWaalsContact C-N 3.31Å; F165-N167 PolarHBondContact O-N 2.92Å; N167-V169 PolarHBondContact O-N 3.33Å; N167-L170 PolarHBondContact O-N 3.45Å; N167-Q171 WeakPolarHBondContact O-CB 3.41Å; N167-Q171 VanDerWaalsContact O-CG 3.32Å; N167-Q171 WeakPolarHBondContact O-CG 3.43Å; N167-Q171 PolarHBondContact O-N 2.82Å; N167-Q171 PolarHBondContact OD1-NE2 3.44Å
168K92.3Very high85.9Confident115 Ų115100.9 Ų100.950%0.554%0.536SS..Hα-helixtrans-58.9-46.3173.1-77.3167.7168.8161.60111.8E164 F165 L170 Q171 Q172E164-K168 WeakPolarHBondContact O-CG 3.35Å; E164-K168 PolarHBondContact O-N 3.42Å; E164-K168 VanDerWaalsContact OE1-CE 3.26Å; E164-K168 WeakPolarHBondContact OE1-CE 3.27Å; E164-K168 IonicContact OE1-NZ 2.65Å; E164-K168 PolarHBondContact OE1-NZ 3.43Å; F165-K168 WeakPolarHBondContact O-CB 3.36Å; F165-K168 PolarHBondContact O-N 3.3Å; K168-L170 PolarHBondContact O-N 3.1Å; K168-Q171 PolarHBondContact O-N 3.33Å; K168-Q172 VanDerWaalsContact O-CB 3.31Å; K168-Q172 WeakPolarHBondContact O-CB 3.1Å; K168-Q172 PolarHBondContact O-N 3.47Å
169V90.4Very high87.5Confident53 Ų5399.8 Ų99.832%0.32153%0.526SS..Hα-helixtrans-62.3-42.6177.2172.20000111.2F165 L166 N167 Q172 T173F165-V169 HydrophobicContact CD1-CG2 4.24Å; F165-V169 HydrophobicContact CE1-CG2 3.81Å; F165-V169 HydrophobicContact CE2-CG2 4.14Å; F165-V169 HydrophobicContact CZ-CG2 3.75Å; F165-V169 WeakPolarHBondContact O-CG2 3.43Å; F165-V169 PolarHBondContact O-N 3.48Å; L166-V169 PolarHBondContact O-N 2.85Å; N167-V169 PolarHBondContact O-N 3.33Å; V169-Q172 PolarHBondContact O-N 2.91Å; V169-T173 VanDerWaalsContact O-CB 3.27Å; V169-T173 WeakPolarHBondContact O-CB 3.41Å; V169-T173 PolarHBondContact O-N 2.94Å; V169-T173 PolarHBondContact O-OG1 3.24Å
170L94.2Very high88.8Confident119 Ų119101.2 Ų101.262%0.62354%0.535SS*.Hα-helixtrans-65.3-42.6177.4-73.6172.7000112.2L166 N167 K168 T173 A174L166-L170 WeakPolarHBondContact O-CB 3.27Å; L166-L170 VanDerWaalsContact O-CG 3.3Å; L166-L170 WeakPolarHBondContact O-CG 3.3Å; L166-L170 PolarHBondContact O-N 3.27Å; N167-L170 PolarHBondContact O-N 3.45Å; K168-L170 PolarHBondContact O-N 3.1Å; L170-T173 PolarHBondContact O-N 3.15Å; L170-A174 VanDerWaalsContact O-CB 3.23Å; L170-A174 WeakPolarHBondContact O-CB 3.37Å; L170-A174 PolarHBondContact O-N 3.43Å
171Q92.8Very high89.4Confident121 Ų121100.1 Ų100.157%0.56554%0.539SS*.Hα-helixtrans-65-44.3175.9-71.8176.119.200111.9N167 K168 A174 S175N167-Q171 WeakPolarHBondContact O-CB 3.41Å; N167-Q171 VanDerWaalsContact O-CG 3.32Å; N167-Q171 WeakPolarHBondContact O-CG 3.43Å; N167-Q171 PolarHBondContact O-N 2.82Å; N167-Q171 PolarHBondContact OD1-NE2 3.44Å; K168-Q171 PolarHBondContact O-N 3.33Å; Q171-A174 PolarHBondContact O-N 2.92Å; Q171-S175 PolarHBondContact O-N 3.39Å
172Q92.6Very high89.3Confident109 Ų10997 Ų9751%0.50953%0.528SS..Hα-helixtrans-61.5-48.5175.8-177.6175.2-3.800110.8K168 V169 A174 S175 E176K168-Q172 VanDerWaalsContact O-CB 3.31Å; K168-Q172 WeakPolarHBondContact O-CB 3.1Å; K168-Q172 PolarHBondContact O-N 3.47Å; V169-Q172 PolarHBondContact O-N 2.91Å; Q172-A174 VanDerWaalsContact C-N 3.34Å; Q172-A174 PolarHBondContact O-N 2.82Å; Q172-S175 PolarHBondContact O-N 3.34Å; Q172-S175 VanDerWaalsContact O-N 3.07Å; Q172-S175 PolarHBondContact O-OG 2.84Å; Q172-E176 HydrophobicContact CG-CG 4.42Å; Q172-E176 VanDerWaalsContact CG-OE1 3.26Å; Q172-E176 WeakPolarHBondContact CG-OE1 3.12Å; Q172-E176 PolarHBondContact NE2-OE1 2.98Å; Q172-E176 WeakPolarHBondContact O-CG 3.46Å; Q172-E176 PolarHBondContact O-N 2.9Å
173T92.8Very high88.4Confident71 Ų7196.5 Ų96.544%0.43653%0.529SS..Hα-helixtrans-60.2-43.8177.1-54.30000111V169 L170 S175 E176 V177V169-T173 VanDerWaalsContact O-CB 3.27Å; V169-T173 WeakPolarHBondContact O-CB 3.41Å; V169-T173 PolarHBondContact O-N 2.94Å; V169-T173 PolarHBondContact O-OG1 3.24Å; L170-T173 PolarHBondContact O-N 3.15Å; T173-S175 PolarHBondContact O-N 2.89Å; T173-E176 PolarHBondContact O-N 2.95Å; T173-V177 HydrophobicContact CG2-CG2 3.94Å; T173-V177 WeakPolarHBondContact O-CB 3.5Å; T173-V177 WeakPolarHBondContact O-CG2 3.49Å; T173-V177 PolarHBondContact O-N 2.97Å
174A91.1Very high87.4Confident76 Ų7698.2 Ų98.263%0.62854%0.538SS*.Hα-helixtrans-61.6-30.8176.300000112.9L170 Q171 Q172L170-A174 VanDerWaalsContact O-CB 3.23Å; L170-A174 WeakPolarHBondContact O-CB 3.37Å; L170-A174 PolarHBondContact O-N 3.43Å; Q171-A174 PolarHBondContact O-N 2.92Å; Q172-A174 VanDerWaalsContact C-N 3.34Å; Q172-A174 PolarHBondContact O-N 2.82Å
175S88.7Confident86Confident94 Ų9497.7 Ų97.766%0.65755%0.545SS*.Hα-helixtrans-80.2-30.4175.573.30000114Q171 Q172 T173Q171-S175 PolarHBondContact O-N 3.39Å; Q172-S175 PolarHBondContact O-N 3.34Å; Q172-S175 VanDerWaalsContact O-N 3.07Å; Q172-S175 PolarHBondContact O-OG 2.84Å; T173-S175 PolarHBondContact O-N 2.89Å
176E90.7Very high84.7Confident90 Ų9099.3 Ų99.342%0.42156%0.555SS.*Hα-helixtrans-87.6-24.3-178.2-70.4-172.7-15400113.6R26 Q172 T173 I178R26-E176 IonicContact CZ-OE2 4Å; R26-E176 IonicContact NH1-OE2 2.59Å; R26-E176 VanDerWaalsContact NH2-CD 3.33Å; R26-E176 IonicContact NH2-OE2 3.33Å; R26-E176 PolarHBondContact NH2-OE2 3.31Å; Q172-E176 HydrophobicContact CG-CG 4.42Å; Q172-E176 VanDerWaalsContact CG-OE1 3.26Å; Q172-E176 WeakPolarHBondContact CG-OE1 3.12Å; Q172-E176 PolarHBondContact NE2-OE1 2.98Å; Q172-E176 WeakPolarHBondContact O-CG 3.46Å; Q172-E176 PolarHBondContact O-N 2.9Å; T173-E176 PolarHBondContact O-N 2.95Å; E176-I178 PolarHBondContact O-N 3.46Å
177V90.2Very high83.6Confident97 Ų97100.6 Ų100.659%0.58857%0.566SS**SBendtrans-70123.3176.1169.80000109.8T173 D179T173-V177 HydrophobicContact CG2-CG2 3.94Å; T173-V177 WeakPolarHBondContact O-CB 3.5Å; T173-V177 WeakPolarHBondContact O-CG2 3.49Å; T173-V177 PolarHBondContact O-N 2.97Å; V177-D179 PolarHBondContact O-N 3.18Å
178I86Confident82.9Confident97 Ų9799.9 Ų99.950%0.49756%0.562SS.*  trans-76.3110.3175-68.9168.5000108.9E176 V180E176-I178 PolarHBondContact O-N 3.46Å; I178-V180 HydrophobicContact CG2-CG2 4.39Å; I178-V180 PolarHBondContact O-N 2.71Å
179D85.9Confident82.6Confident91 Ų91100.4 Ų100.449%0.48757%0.566SS.*  trans-68.9108.3164.9-174.3-1.1000109.5V177 A181 A182V177-D179 PolarHBondContact O-N 3.18Å; D179-A181 VanDerWaalsContact C-N 3.31Å; D179-A181 WeakPolarHBondContact OD1-CB 3.34Å; D179-A181 PolarHBondContact OD1-N 2.86Å; D179-A182 HydrophobicContact CB-CB 3.9Å; D179-A182 PolarHBondContact OD1-N 3.45Å
180V84.1Confident82.3Confident107 Ų107102.5 Ų102.565%0.64858%0.581SS**SBendtrans-73.1-26.9178.2-178.70000111I178 L183I178-V180 HydrophobicContact CG2-CG2 4.39Å; I178-V180 PolarHBondContact O-N 2.71Å; V180-L183 HydrophobicContact CG1-CD1 4.3Å; V180-L183 WeakPolarHBondContact O-CB 3.41Å; V180-L183 WeakPolarHBondContact O-CG 3.49Å; V180-L183 PolarHBondContact O-N 3.47Å
181A82.4Confident82.2Confident73 Ų73105.5 Ų105.560%0.60358%0.584SS**G310 helixtrans-75.8-28178.500000112.2D179 L183 E184D179-A181 VanDerWaalsContact C-N 3.31Å; D179-A181 WeakPolarHBondContact OD1-CB 3.34Å; D179-A181 PolarHBondContact OD1-N 2.86Å; A181-L183 PolarHBondContact O-N 2.9Å; A181-L183 VanDerWaalsContact O-N 3.09Å; A181-E184 PolarHBondContact O-N 3.15Å; A181-E184 VanDerWaalsContact O-N 3.15Å
182A77Confident82.1Confident45 Ų45104.2 Ų104.237%0.37258%0.578SS.*G310 helixtrans-68.4-1.3174.400000114.6D179 E184D179-A182 HydrophobicContact CB-CB 3.9Å; D179-A182 PolarHBondContact OD1-N 3.45Å; A182-E184 VanDerWaalsContact C-N 3.29Å
183L69Low82Confident129 Ų129106.2 Ų106.268%0.67558%0.582SS**G310 helixtrans-73.9-22.5170-65.4173.6000112.2V180 A181 S185V180-L183 HydrophobicContact CG1-CD1 4.3Å; V180-L183 WeakPolarHBondContact O-CB 3.41Å; V180-L183 WeakPolarHBondContact O-CG 3.49Å; V180-L183 PolarHBondContact O-N 3.47Å; A181-L183 PolarHBondContact O-N 2.9Å; A181-L183 VanDerWaalsContact O-N 3.09Å; L183-S185 PolarHBondContact O-N 3.39Å
184E69.7Low82Confident166 Ų166105.8 Ų105.878%0.77658%0.579SS**SBendtrans-69.7127.1165.8-165.8164.9-159.800107.3A181 A182 Q186A181-E184 PolarHBondContact O-N 3.15Å; A181-E184 VanDerWaalsContact O-N 3.15Å; A182-E184 VanDerWaalsContact C-N 3.29Å; E184-Q186 PolarHBondContact O-N 3Å
185S61.3Low82.1Confident90 Ų90106.3 Ų106.363%0.62957%0.569SS**  trans-48118.1-171.545.60000109.7L183 T187L183-S185 PolarHBondContact O-N 3.39Å; S185-T187 PolarHBondContact O-N 3.22Å
186Q63.1Low82.2Confident169 Ų169106.6 Ų106.679%0.7956%0.555SS**  trans-58.694.3164.1-83.1-175.10.800106.7E184 L188E184-Q186 PolarHBondContact O-N 3Å; Q186-L188 PolarHBondContact O-N 3.41Å
187T69.2Low82.3Confident116 Ų116103.9 Ų103.971%0.71255%0.548SS*.  trans-7291.3172.650.40000105.5S185 E189S185-T187 PolarHBondContact O-N 3.22Å; T187-E189 PolarHBondContact O-N 3.39Å
188L77.7Confident82.5Confident69 Ų69107.4 Ų107.436%0.36155%0.551SS.*  trans-49.5132.2160.9-72.3164.1000107.3Q186Q186-L188 PolarHBondContact O-N 3.41Å
189E85.9Confident82.8Confident127 Ų127108.5 Ų108.559%0.59355%0.553SS**  trans-51.5133.7175.1-81-68.3147.100108.6T187 R191 E192 Y193T187-E189 PolarHBondContact O-N 3.39Å; E189-R191 PolarHBondContact O-N 3.11Å; E189-E192 HydrophobicContact CB-CB 4.49Å; E189-E192 HydrophobicContact CB-CG 4.06Å; E189-E192 WeakPolarHBondContact O-CB 3.37Å; E189-E192 PolarHBondContact O-N 3.18Å; E189-Y193 PolarHBondContact O-N 3.25Å; E189-Y193 VanDerWaalsContact O-N 3.1Å
190P85.1Confident83.1Confident96 Ų96110.5 Ų110.562%0.62356%0.555SS**Hα-helixtrans-53.1-32.1-173.4-29.434.7000113.4V194P190-V194 VanDerWaalsContact O-CG2 3.28Å; P190-V194 WeakPolarHBondContact O-CG2 3.36Å; P190-V194 PolarHBondContact O-N 3.38Å; P190-V194 VanDerWaalsContact O-N 3.12Å
191R91.1Very high83.3Confident182 Ų182110.5 Ų110.569%0.68755%0.551SS**Hα-helixtrans-65.2-45.4175.4-177-177.1165.896.88.7112.4E189 Y193 V194 E195E189-R191 PolarHBondContact O-N 3.11Å; R191-Y193 VanDerWaalsContact C-N 3.33Å; R191-V194 PolarHBondContact O-N 3Å; R191-E195 IonicContact CZ-OE1 3Å; R191-E195 IonicContact NE-OE1 2.94Å; R191-E195 PolarHBondContact NE-OE1 3Å; R191-E195 IonicContact NH2-OE1 2.68Å; R191-E195 PolarHBondContact NH2-OE1 3.13Å; R191-E195 WeakPolarHBondContact O-CG 3.36Å; R191-E195 PolarHBondContact O-N 2.85Å
192E91.2Very high83.8Confident95 Ų95109 Ų10944%0.44454%0.539SS..Hα-helixtrans-65-40.2178.7-64.5-176.9170.900111.2E189 V194 E195 R196E189-E192 HydrophobicContact CB-CB 4.49Å; E189-E192 HydrophobicContact CB-CG 4.06Å; E189-E192 WeakPolarHBondContact O-CB 3.37Å; E189-E192 PolarHBondContact O-N 3.18Å; E192-V194 VanDerWaalsContact C-N 3.35Å; E192-V194 PolarHBondContact O-N 3.07Å; E192-E195 PolarHBondContact O-N 3.46Å; E192-R196 WeakPolarHBondContact O-CB 3.41Å; E192-R196 PolarHBondContact O-N 3.38Å
193Y89Confident84.4Confident151 Ų151110 Ų11059%0.59254%0.54SS*.Hα-helixtrans-58.5-47.5174.5179-94.8000111.4E189 R191 R196 A197E189-Y193 PolarHBondContact O-N 3.25Å; E189-Y193 VanDerWaalsContact O-N 3.1Å; R191-Y193 VanDerWaalsContact C-N 3.33Å; Y193-R196 PolarHBondContact O-N 3.05Å; Y193-A197 VanDerWaalsContact O-CB 3.26Å; Y193-A197 WeakPolarHBondContact O-CB 3.31Å; Y193-A197 PolarHBondContact O-N 3.42Å
194V92.8Very high85.1Confident62 Ų62108.1 Ų108.138%0.37653%0.531SS..Hα-helixtrans-65.7-43.1179.6171.50000111.7P190 R191 E192 A197 R198P190-V194 VanDerWaalsContact O-CG2 3.28Å; P190-V194 WeakPolarHBondContact O-CG2 3.36Å; P190-V194 PolarHBondContact O-N 3.38Å; P190-V194 VanDerWaalsContact O-N 3.12Å; R191-V194 PolarHBondContact O-N 3Å; E192-V194 VanDerWaalsContact C-N 3.35Å; E192-V194 PolarHBondContact O-N 3.07Å; V194-A197 PolarHBondContact O-N 2.8Å; V194-R198 WeakPolarHBondContact O-CG 3.3Å; V194-R198 PolarHBondContact O-N 3.43Å
195E93.5Very high85.7Confident87 Ų87104.1 Ų104.141%0.40752%0.521SS..Hα-helixtrans-63.8-44.1177.6-74.8177.3-177.400111.5R191 E192 R198 H199R191-E195 IonicContact CZ-OE1 3Å; R191-E195 IonicContact NE-OE1 2.94Å; R191-E195 PolarHBondContact NE-OE1 3Å; R191-E195 IonicContact NH2-OE1 2.68Å; R191-E195 PolarHBondContact NH2-OE1 3.13Å; R191-E195 WeakPolarHBondContact O-CG 3.36Å; R191-E195 PolarHBondContact O-N 2.85Å; E192-E195 PolarHBondContact O-N 3.46Å; E195-R198 PolarHBondContact O-N 2.81Å; E195-H199 PolarHBondContact O-N 3.26Å
196R92.2Very high86.6Confident100 Ų100106.8 Ų106.838%0.37752%0.523SS..Hα-helixtrans-64.4-42.5176.4-171.6177.9-67.2157.86.9111.9E192 Y193 R198 H199 Y200E192-R196 WeakPolarHBondContact O-CB 3.41Å; E192-R196 PolarHBondContact O-N 3.38Å; Y193-R196 PolarHBondContact O-N 3.05Å; R196-R198 VanDerWaalsContact C-N 3.35Å; R196-R198 PolarHBondContact O-N 3.1Å; R196-H199 PolarHBondContact O-N 3.35Å; R196-Y200 WeakPolarHBondContact CD-OH 3.22Å; R196-Y200 HydrophobicContact CG-CD2 4.08Å; R196-Y200 HydrophobicContact CG-CE1 4.01Å; R196-Y200 HydrophobicContact CG-CE2 3.47Å; R196-Y200 VanDerWaalsContact CG-CE2 3.47Å; R196-Y200 VanDerWaalsContact CG-CZ 3.43Å; R196-Y200 VanDerWaalsContact O-CG 3.3Å; R196-Y200 PolarHBondContact O-N 3.46Å
197A91.1Very high87.3Confident32 Ų32103.1 Ų103.126%0.26451%0.508SS..Hα-helixtrans-61.7-41175.200000112.2Y193 V194 N201Y193-A197 VanDerWaalsContact O-CB 3.26Å; Y193-A197 WeakPolarHBondContact O-CB 3.31Å; Y193-A197 PolarHBondContact O-N 3.42Å; V194-A197 PolarHBondContact O-N 2.8Å; A197-N201 WeakPolarHBondContact O-CB 3.25Å; A197-N201 VanDerWaalsContact O-CG 3.29Å; A197-N201 PolarHBondContact O-N 3.01Å; A197-N201 PolarHBondContact O-ND2 2.86Å
198R94.5Very high86.8Confident172 Ų172105.2 Ų105.265%0.64952%0.515SS*.Hα-helixtrans-63.5-43.7173.9-74.2179.2-165.7170.85.3111.7V194 E195 R196 N201 A202V194-R198 WeakPolarHBondContact O-CG 3.3Å; V194-R198 PolarHBondContact O-N 3.43Å; E195-R198 PolarHBondContact O-N 2.81Å; R196-R198 VanDerWaalsContact C-N 3.35Å; R196-R198 PolarHBondContact O-N 3.1Å; R198-N201 PolarHBondContact O-N 3.47Å; R198-A202 PolarHBondContact O-N 2.99Å
199H93Very high85.9Confident119 Ų119107.1 Ų107.155%0.55152%0.521SS*.Hα-helixtrans-61-47.5177.6-177.570.3000111.5E195 R196 N201 A202 V203E195-H199 PolarHBondContact O-N 3.26Å; R196-H199 PolarHBondContact O-N 3.35Å; H199-N201 PolarHBondContact O-N 3.15Å; H199-A202 WeakPolarHBondContact O-CB 3.31Å; H199-A202 PolarHBondContact O-N 2.67Å; H199-A202 VanDerWaalsContact O-N 3.15Å; H199-V203 WeakPolarHBondContact O-CG2 3.46Å; H199-V203 PolarHBondContact O-N 3.1Å
200Y92.2Very high84.4Confident134 Ų134104.7 Ų104.753%0.52552%0.518SS..Hα-helixtrans-62.3-40.4176.6-64.7-20.1000112.7R196 A202 V203 L204R196-Y200 WeakPolarHBondContact CD-OH 3.22Å; R196-Y200 HydrophobicContact CG-CD2 4.08Å; R196-Y200 HydrophobicContact CG-CE1 4.01Å; R196-Y200 HydrophobicContact CG-CE2 3.47Å; R196-Y200 VanDerWaalsContact CG-CE2 3.47Å; R196-Y200 VanDerWaalsContact CG-CZ 3.43Å; R196-Y200 VanDerWaalsContact O-CG 3.3Å; R196-Y200 PolarHBondContact O-N 3.46Å; Y200-A202 VanDerWaalsContact C-N 3.32Å; Y200-A202 PolarHBondContact O-N 2.96Å; Y200-V203 PolarHBondContact O-N 3.31Å; Y200-L204 VanDerWaalsContact O-CB 3.3Å; Y200-L204 WeakPolarHBondContact O-CB 3.45Å; Y200-L204 VanDerWaalsContact O-CG 3.25Å; Y200-L204 WeakPolarHBondContact O-CG 3.17Å; Y200-L204 PolarHBondContact O-N 2.94Å
201N89.5Confident83Confident107 Ų107104.7 Ų104.757%0.57252%0.518SS*.Hα-helixtrans-63.4-38.1174.5-76.5-30.8000112.3A197 R198 H199 S205A197-N201 WeakPolarHBondContact O-CB 3.25Å; A197-N201 VanDerWaalsContact O-CG 3.29Å; A197-N201 PolarHBondContact O-N 3.01Å; A197-N201 PolarHBondContact O-ND2 2.86Å; R198-N201 PolarHBondContact O-N 3.47Å; H199-N201 PolarHBondContact O-N 3.15Å; N201-S205 WeakPolarHBondContact O-CB 3.32Å; N201-S205 PolarHBondContact O-N 3.34Å
202A90.9Very high81.3Confident42 Ų42100 Ų10035%0.34751%0.513SS..Hα-helixtrans-63.6-49.5174.600000110.9R198 H199 Y200 L204 S205 H206R198-A202 PolarHBondContact O-N 2.99Å; H199-A202 WeakPolarHBondContact O-CB 3.31Å; H199-A202 PolarHBondContact O-N 2.67Å; H199-A202 VanDerWaalsContact O-N 3.15Å; Y200-A202 VanDerWaalsContact C-N 3.32Å; Y200-A202 PolarHBondContact O-N 2.96Å; A202-L204 PolarHBondContact O-N 3.35Å; A202-S205 PolarHBondContact O-N 3.35Å; A202-S205 VanDerWaalsContact O-N 3.1Å; A202-S205 PolarHBondContact O-OG 2.83Å; A202-H206 PolarHBondContact O-CD2 2.9Å; A202-H206 PolarHBondContact O-N 3.31Å; A202-H206 VanDerWaalsContact O-N 3.15Å
203V90Very high79.5Confident65 Ų65100.8 Ų100.839%0.39452%0.524SS..Hα-helixtrans-58.3-47.8176.1175.90000110.9H199 Y200 S205 H206 L207H199-V203 WeakPolarHBondContact O-CG2 3.46Å; H199-V203 PolarHBondContact O-N 3.1Å; Y200-V203 PolarHBondContact O-N 3.31Å; V203-S205 PolarHBondContact O-N 2.94Å; V203-H206 PolarHBondContact O-N 3.36Å; V203-H206 VanDerWaalsContact O-N 3.1Å; V203-L207 HydrophobicContact CG1-CD1 4.17Å; V203-L207 HydrophobicContact CG1-CG 4.44Å; V203-L207 WeakPolarHBondContact O-CG 3.25Å; V203-L207 PolarHBondContact O-N 3.3Å
204L84.9Confident77.9Confident90 Ų9099.7 Ų99.747%0.47152%0.522SS..Hα-helixtrans-60.4-31.1176.9-75.8172.4000113.1Y200 A202 L207 F209Y200-L204 VanDerWaalsContact O-CB 3.3Å; Y200-L204 WeakPolarHBondContact O-CB 3.45Å; Y200-L204 VanDerWaalsContact O-CG 3.25Å; Y200-L204 WeakPolarHBondContact O-CG 3.17Å; Y200-L204 PolarHBondContact O-N 2.94Å; A202-L204 PolarHBondContact O-N 3.35Å; L204-L207 HydrophobicContact CD2-CD1 4.37Å; L204-L207 VanDerWaalsContact O-O 3.08Å; L204-F209 HydrophobicContact CD2-CE2 4.03Å
205S81.7Confident76.1Confident82 Ų82105.1 Ų105.157%0.57354%0.541SS*.Hα-helixtrans-74.7-28.5176.475.50000113.4N201 A202 V203N201-S205 WeakPolarHBondContact O-CB 3.32Å; N201-S205 PolarHBondContact O-N 3.34Å; A202-S205 PolarHBondContact O-N 3.35Å; A202-S205 VanDerWaalsContact O-N 3.1Å; A202-S205 PolarHBondContact O-OG 2.83Å; V203-S205 PolarHBondContact O-N 2.94Å
206H80.4Confident74.4Confident146 Ų146104.1 Ų104.168%0.67655%0.548SS*.Hα-helixtrans-82.4-28.5175.3-67.9-60000112.6A202 V203 N208A202-H206 PolarHBondContact O-CD2 2.9Å; A202-H206 PolarHBondContact O-N 3.31Å; A202-H206 VanDerWaalsContact O-N 3.15Å; V203-H206 PolarHBondContact O-N 3.36Å; V203-H206 VanDerWaalsContact O-N 3.1Å; H206-N208 PolarHBondContact O-N 2.93Å
207L78Confident72.9Confident92 Ų92105.2 Ų105.248%0.48257%0.566SS.*SBendtrans-66.9100.5166.2-64.8173.7000107.5V203 L204 F209V203-L207 HydrophobicContact CG1-CD1 4.17Å; V203-L207 HydrophobicContact CG1-CG 4.44Å; V203-L207 WeakPolarHBondContact O-CG 3.25Å; V203-L207 PolarHBondContact O-N 3.3Å; L204-L207 HydrophobicContact CD2-CD1 4.37Å; L204-L207 VanDerWaalsContact O-O 3.08Å; L207-F209 HydrophobicContact CB-CD2 4.05Å; L207-F209 HydrophobicContact CB-CE2 3.92Å; L207-F209 HydrophobicContact CD1-CE2 4.19Å; L207-F209 PolarHBondContact O-N 3.03Å
208N59Low71.4Confident159 Ų159109 Ų10985%0.8559%0.588SS**  trans-62.471.7174.1-77-56.3000110.7H206 S210H206-N208 PolarHBondContact O-N 2.93Å; N208-S210 VanDerWaalsContact C-N 3.27Å; N208-S210 PolarHBondContact O-N 3.43Å
209F58Low69.8Low110 Ų110107.2 Ų107.248%0.48260%0.595SS.*  trans-67.195.1162.3-78.3-71.9000105.9L204 L207 P211L204-F209 HydrophobicContact CD2-CE2 4.03Å; L207-F209 HydrophobicContact CB-CD2 4.05Å; L207-F209 HydrophobicContact CB-CE2 3.92Å; L207-F209 HydrophobicContact CD1-CE2 4.19Å; L207-F209 PolarHBondContact O-N 3.03Å; F209-P211 WeakPolarHBondContact O-CD 3.3Å
210S53.3Low68Low75 Ų75106.4 Ų106.452%0.52460%0.603SS.*  trans-48.4111.8165.1-179.90000107.3N208 S212N208-S210 VanDerWaalsContact C-N 3.27Å; N208-S210 PolarHBondContact O-N 3.43Å; S210-S212 PolarHBondContact O-N 2.91Å; S210-S212 PolarHBondContact OG-OG 2.9Å
211P56.1Low66.6Low96 Ų96107 Ų10762%0.62362%0.615SS**THydrogen-bonded Turntrans-70.55.9-175.326.8-31.8000112.3F209 T213 F215F209-P211 WeakPolarHBondContact O-CD 3.3Å; P211-T213 VanDerWaalsContact C-N 3.34Å; P211-T213 PolarHBondContact O-N 3.15Å; P211-F215 HydrophobicContact CB-CD2 4.3Å
212S55.1Low65.5Low84 Ų84110 Ų11059%0.58763%0.626SS**THydrogen-bonded Turntrans-74.7-12.9-169.964.20000115.3S210S210-S212 PolarHBondContact O-N 2.91Å; S210-S212 PolarHBondContact OG-OG 2.9Å
213T55.2Low64.1Low111 Ų111113.4 Ų113.468%0.68164%0.644SS**THydrogen-bonded Turntrans-132.5-8.8-17342.40000116.7P211P211-T213 VanDerWaalsContact C-N 3.34Å; P211-T213 PolarHBondContact O-N 3.15Å
214K54.1Low63Low128 Ų128114.3 Ų114.356%0.55765%0.649SS**THydrogen-bonded Turntrans-106.8-17.4-174.9-63.9-172.3-177.6-175.10115.5
215F54.7Low62.4Low176 Ų176117 Ų11777%0.77267%0.669SS**SBendtrans-105.3-9.9-178.8-65.4-72.8000114.1P211 V217P211-F215 HydrophobicContact CB-CD2 4.3Å; F215-V217 PolarHBondContact O-N 3.33Å
216A58.2Low62.2Low67 Ų67115.3 Ų115.355%0.55466%0.658SS**SBendtrans-82.5116.6166.700000107.3P218A216-P218 WeakPolarHBondContact O-CD 3.45Å
217V61.9Low62.4Low122 Ų122112.6 Ų112.674%0.73965%0.651SS**  trans-46.6118.7159.2175.40000105.5F215 V219F215-V217 PolarHBondContact O-N 3.33Å; V217-V219 VanDerWaalsContact C-N 3.31Å; V217-V219 PolarHBondContact O-N 3.24Å
218P59.3Low62.6Low113 Ų113116.1 Ų116.173%0.73467%0.665SS**  trans-62.7101.6-179.422.5-30000107A216 S220A216-P218 WeakPolarHBondContact O-CD 3.45Å; P218-S220 PolarHBondContact O-N 3.32Å
219V60.3Low63.7Low133 Ų133111 Ų11181%0.80665%0.645SS**  trans-74.665166.8-176.20000106.2V217 L221V217-V219 VanDerWaalsContact C-N 3.31Å; V217-V219 PolarHBondContact O-N 3.24Å; V219-L221 PolarHBondContact O-N 3.42Å
220S56.2Low64.8Low102 Ų102107.9 Ų107.971%0.71364%0.637SS**  trans-96.556173.1-1790000108.6P218P218-S220 PolarHBondContact O-N 3.32Å
221L61.7Low66.3Low147 Ų147110.7 Ų110.777%0.7765%0.645SS**  trans-93.7110.1154.8-62.2178.2000104.7V219 P223V219-L221 PolarHBondContact O-N 3.42Å; L221-P223 VanDerWaalsContact O-CD 3.31Å; L221-P223 WeakPolarHBondContact O-CD 3.42Å
222Q66.1Low67.7Low171 Ų171110.4 Ų110.480%0.79965%0.645SS**  trans-52.6119.9170.6-78.1-171.9-45.900107.2V224Q222-V224 PolarHBondContact O-N 2.85Å
223P60.8Low69.2Low112 Ų112112.9 Ų112.973%0.72765%0.645SS**  trans-60.5121.1-17919.8-28000107.7L221 T225L221-P223 VanDerWaalsContact O-CD 3.31Å; L221-P223 WeakPolarHBondContact O-CD 3.42Å; P223-T225 VanDerWaalsContact C-N 3.33Å; P223-T225 PolarHBondContact O-N 2.88Å
224V67.3Low70.8Confident84 Ų84113.2 Ų113.251%0.50965%0.649SS.*  trans-62101.7168.8174.40000105.9Q222 S226 V227 S230Q222-V224 PolarHBondContact O-N 2.85Å; V224-S226 VanDerWaalsContact CG1-O 3.29Å; V224-S226 WeakPolarHBondContact CG1-O 3.49Å; V224-S226 PolarHBondContact O-N 3.25Å; V224-S226 VanDerWaalsContact O-N 3.11Å; V224-V227 HydrophobicContact CG1-CG2 4.46Å; V224-S230 WeakPolarHBondContact CG1-OG 3.17Å
225T72.8Confident72.4Confident146 Ų146112.9 Ų112.990%0.89666%0.66SS**SBendtrans-63.2-19.8-17252.90000113P223P223-T225 VanDerWaalsContact C-N 3.33Å; P223-T225 PolarHBondContact O-N 2.88Å
226S78.3Confident74.1Confident48 Ų48110.5 Ų110.534%0.33666%0.655SS.*  trans-144.9108.5167.4174.80000110V224 E228 A229 S230V224-S226 VanDerWaalsContact CG1-O 3.29Å; V224-S226 WeakPolarHBondContact CG1-O 3.49Å; V224-S226 PolarHBondContact O-N 3.25Å; V224-S226 VanDerWaalsContact O-N 3.11Å; S226-E228 VanDerWaalsContact C-N 3.33Å; S226-A229 PolarHBondContact O-N 2.95Å; S226-A229 VanDerWaalsContact OG-CB 3.32Å; S226-A229 WeakPolarHBondContact OG-CB 3.37Å; S226-A229 PolarHBondContact OG-N 3.31Å; S226-A229 VanDerWaalsContact OG-N 3.13Å; S226-S230 PolarHBondContact O-N 3.34Å; S226-S230 PolarHBondContact O-OG 2.66Å
227V83Confident75.8Confident89 Ų89110.2 Ų110.254%0.53965%0.649SS.*Hα-helixtrans-62.8-43.2175.81750000110V224 A229 S230 I231V224-V227 HydrophobicContact CG1-CG2 4.46Å; V227-A229 VanDerWaalsContact C-N 3.35Å; V227-A229 PolarHBondContact O-N 2.94Å; V227-S230 PolarHBondContact O-N 2.7Å; V227-I231 HydrophobicContact CG1-CD1 3.52Å; V227-I231 HydrophobicContact CG1-CG1 4.21Å; V227-I231 WeakPolarHBondContact O-CG1 3.49Å; V227-I231 PolarHBondContact O-N 2.98Å
228E83.2Confident77.3Confident165 Ų165113.6 Ų113.677%0.77165%0.648SS**Hα-helixtrans-59.6-42.9178-62.1-178.517300111.9S226 S230 S232S226-E228 VanDerWaalsContact C-N 3.33Å; E228-S230 VanDerWaalsContact C-N 3.28Å; E228-S230 PolarHBondContact O-N 3.23Å; E228-S232 VanDerWaalsContact O-CB 3.24Å; E228-S232 WeakPolarHBondContact O-CB 3.31Å; E228-S232 PolarHBondContact O-N 2.97Å; E228-S232 PolarHBondContact O-OG 2.81Å
229A82.1Confident79Confident52 Ų52116.5 Ų116.543%0.4365%0.645SS.*Hα-helixtrans-68.8-26.2176.500000112.9S226 V227 S232S226-A229 PolarHBondContact O-N 2.95Å; S226-A229 VanDerWaalsContact OG-CB 3.32Å; S226-A229 WeakPolarHBondContact OG-CB 3.37Å; S226-A229 PolarHBondContact OG-N 3.31Å; S226-A229 VanDerWaalsContact OG-N 3.13Å; V227-A229 VanDerWaalsContact C-N 3.35Å; V227-A229 PolarHBondContact O-N 2.94Å; A229-S232 VanDerWaalsContact CA-OG 3.31Å; A229-S232 WeakPolarHBondContact CA-OG 3.37Å; A229-S232 PolarHBondContact O-OG 2.89Å
230S81.3Confident80.6Confident44 Ų44112.1 Ų112.131%0.30862%0.62SS.*Hα-helixtrans-83.7-37.1179.6-65.80000112.8V224 S226 V227 E228V224-S230 WeakPolarHBondContact CG1-OG 3.17Å; S226-S230 PolarHBondContact O-N 3.34Å; S226-S230 PolarHBondContact O-OG 2.66Å; V227-S230 PolarHBondContact O-N 2.7Å; E228-S230 VanDerWaalsContact C-N 3.28Å; E228-S230 PolarHBondContact O-N 3.23Å
231I83.7Confident82.4Confident134 Ų134111.6 Ų111.669%0.68761%0.609SS**Hα-helixtrans-75.1-28.4176.2-62.9174000111.2V227 K233V227-I231 HydrophobicContact CG1-CD1 3.52Å; V227-I231 HydrophobicContact CG1-CG1 4.21Å; V227-I231 WeakPolarHBondContact O-CG1 3.49Å; V227-I231 PolarHBondContact O-N 2.98Å; I231-K233 PolarHBondContact O-N 3.34Å
232S86.9Confident84Confident91 Ų91108.4 Ų108.464%0.63659%0.59SS**THydrogen-bonded Turntrans-78-0.8176.355.40000114.6E228 A229E228-S232 VanDerWaalsContact O-CB 3.24Å; E228-S232 WeakPolarHBondContact O-CB 3.31Å; E228-S232 PolarHBondContact O-N 2.97Å; E228-S232 PolarHBondContact O-OG 2.81Å; A229-S232 VanDerWaalsContact CA-OG 3.31Å; A229-S232 WeakPolarHBondContact CA-OG 3.37Å; A229-S232 PolarHBondContact O-OG 2.89Å
233K86.2Confident85.4Confident136 Ų136107.6 Ų107.659%0.59158%0.58SS**SBendtrans-62.9142.9173.2-70.7175.1-177.3168.10110.1I231I231-K233 PolarHBondContact O-N 3.34Å
234P88.4Confident87.1Confident117 Ų117107.3 Ų107.376%0.7657%0.571SS**PPolyproline II helixtrans-58.3141177.424.2-33.1000110.3
235P88.3Confident88.5Confident121 Ų121108.5 Ų108.579%0.78658%0.575SS**PPolyproline II helixtrans-61.9158.4178.127.2-34.7000110.9S237P235-S237 PolarHBondContact O-N 3.26Å
236L90.3Very high89.6Confident127 Ų127108 Ų10867%0.66556%0.56SS**PPolyproline II helixtrans-52.4135.5173.3-73.8171.5000110.3L241L236-L241 HydrophobicContact CD1-CD2 4.5Å
237S93.3Very high90.5Very high61 Ų61109.7 Ų109.743%0.42757%0.565SS.*PPolyproline II helixtrans-61.7144.1-178.386.40000111P235 R239 S240 L241P235-S237 PolarHBondContact O-N 3.26Å; S237-R239 PolarHBondContact O-N 2.95Å; S237-S240 WeakPolarHBondContact O-CB 3.39Å; S237-S240 PolarHBondContact O-N 3.33Å; S237-S240 PolarHBondContact OG-N 3.02Å; S237-S240 PolarHBondContact OG-OG 3.4Å; S237-L241 PolarHBondContact O-N 3.26Å
238R94.3Very high91.2Very high192 Ų192108.1 Ų108.173%0.72556%0.561SS**Hα-helixtrans-56-36.4178.1-154.5-173.281.9167.46112.2S240 L241 E242R238-S240 VanDerWaalsContact C-N 3.31Å; R238-S240 PolarHBondContact O-N 3.18Å; R238-L241 PolarHBondContact O-N 2.96Å; R238-E242 IonicContact CZ-OE1 3.18Å; R238-E242 IonicContact NE-OE1 2.78Å; R238-E242 PolarHBondContact NE-OE1 2.9Å; R238-E242 IonicContact NH2-OE1 2.85Å; R238-E242 PolarHBondContact NH2-OE1 3.46Å; R238-E242 WeakPolarHBondContact O-CG 3.34Å; R238-E242 PolarHBondContact O-N 2.83Å
239R94.6Very high91.8Very high174 Ų174103.5 Ų103.566%0.65755%0.545SS*.Hα-helixtrans-62.5-35.5175.9-167179.5-161.7143.92.5112.7S237 R243S237-R239 PolarHBondContact O-N 2.95Å; R239-R243 WeakPolarHBondContact O-CG 3.3Å; R239-R243 PolarHBondContact O-N 2.99Å; R239-R243 VanDerWaalsContact O-N 3.16Å
240S92.8Very high92.5Very high42 Ų42106.8 Ų106.829%0.29455%0.551SS.*Hα-helixtrans-68.9-42.6176.6-57.90000111.1S237 R238 R243 L244S237-S240 WeakPolarHBondContact O-CB 3.39Å; S237-S240 PolarHBondContact O-N 3.33Å; S237-S240 PolarHBondContact OG-N 3.02Å; S237-S240 PolarHBondContact OG-OG 3.4Å; R238-S240 VanDerWaalsContact C-N 3.31Å; R238-S240 PolarHBondContact O-N 3.18Å; S240-R243 PolarHBondContact O-N 3.47Å; S240-L244 PolarHBondContact O-N 3.13Å
241L94.3Very high93.1Very high90 Ų90109.2 Ų109.247%0.47156%0.559SS.*Hα-helixtrans-64-45.2176.6-66.8172.6000111.6L236 S237 R238 R243 L244 D245L236-L241 HydrophobicContact CD1-CD2 4.5Å; S237-L241 PolarHBondContact O-N 3.26Å; R238-L241 PolarHBondContact O-N 2.96Å; L241-R243 PolarHBondContact O-N 2.85Å; L241-L244 PolarHBondContact O-N 2.91Å; L241-D245 WeakPolarHBondContact O-CB 3.5Å; L241-D245 PolarHBondContact O-N 3.25Å
242E96.7Very high93.7Very high80 Ų80111.1 Ų111.137%0.37456%0.558SS.*Hα-helixtrans-60.4-30.9175.1-71.4168.8-167.400112.7R238 K246R238-E242 IonicContact CZ-OE1 3.18Å; R238-E242 IonicContact NE-OE1 2.78Å; R238-E242 PolarHBondContact NE-OE1 2.9Å; R238-E242 IonicContact NH2-OE1 2.85Å; R238-E242 PolarHBondContact NH2-OE1 3.46Å; R238-E242 WeakPolarHBondContact O-CG 3.34Å; R238-E242 PolarHBondContact O-N 2.83Å; E242-K246 VanDerWaalsContact O-CG 3.3Å; E242-K246 WeakPolarHBondContact O-CG 3.22Å; E242-K246 PolarHBondContact O-N 3.16Å
243R95.3Very high94.1Very high155 Ų155111.4 Ų111.459%0.58555%0.553SS**Hα-helixtrans-73.8-42.5174.2-76.2175.2-174.4168.1-0112.3R239 S240 L241 D245 K246 L247R239-R243 WeakPolarHBondContact O-CG 3.3Å; R239-R243 PolarHBondContact O-N 2.99Å; R239-R243 VanDerWaalsContact O-N 3.16Å; S240-R243 PolarHBondContact O-N 3.47Å; L241-R243 PolarHBondContact O-N 2.85Å; R243-D245 VanDerWaalsContact C-N 3.31Å; R243-K246 PolarHBondContact O-N 2.91Å; R243-L247 WeakPolarHBondContact O-CB 3.31Å; R243-L247 PolarHBondContact O-N 3.27Å
244L95.6Very high94.5Very high105 Ų105108.4 Ų108.455%0.5555%0.546SS..Hα-helixtrans-62.9-40.9177.7-76.1170.6000111.2S240 L241 L247 A248S240-L244 PolarHBondContact O-N 3.13Å; L241-L244 PolarHBondContact O-N 2.91Å; L244-L247 PolarHBondContact O-N 3.24Å; L244-A248 WeakPolarHBondContact O-CB 3.08Å; L244-A248 PolarHBondContact O-N 3.49Å
245D97.1Very high94.7Very high109 Ų109108.5 Ų108.558%0.58354%0.535SS*.Hα-helixtrans-61-49.7175.6-172.360.8000111.4L241 R243 L247 A248 T249L241-D245 WeakPolarHBondContact O-CB 3.5Å; L241-D245 PolarHBondContact O-N 3.25Å; R243-D245 VanDerWaalsContact C-N 3.31Å; D245-L247 VanDerWaalsContact C-N 3.33Å; D245-L247 PolarHBondContact O-N 3.41Å; D245-A248 WeakPolarHBondContact O-CB 3.34Å; D245-A248 PolarHBondContact O-N 2.85Å; D245-A248 VanDerWaalsContact O-N 3.15Å; D245-T249 PolarHBondContact O-N 2.78Å; D245-T249 PolarHBondContact O-OG1 3.05Å
246K96.8Very high95Very high137 Ų137105.8 Ų105.860%0.59652%0.522SS*.Hα-helixtrans-58.1-42.5174.8-74.7176.5-178.8-174.20113E242 R243 T249 Q250E242-K246 VanDerWaalsContact O-CG 3.3Å; E242-K246 WeakPolarHBondContact O-CG 3.22Å; E242-K246 PolarHBondContact O-N 3.16Å; R243-K246 PolarHBondContact O-N 2.91Å; K246-T249 PolarHBondContact O-N 3.27Å; K246-Q250 WeakPolarHBondContact O-CB 3.32Å; K246-Q250 VanDerWaalsContact O-CG 3.25Å; K246-Q250 WeakPolarHBondContact O-CG 3.36Å; K246-Q250 PolarHBondContact O-N 2.98Å
247L96.5Very high95.1Very high83 Ų83106.4 Ų106.444%0.43552%0.522SS..Hα-helixtrans-63.3-43.9177.2-179.365.5000110.8R243 L244 D245 Q250 M251R243-L247 WeakPolarHBondContact O-CB 3.31Å; R243-L247 PolarHBondContact O-N 3.27Å; L244-L247 PolarHBondContact O-N 3.24Å; D245-L247 VanDerWaalsContact C-N 3.33Å; D245-L247 PolarHBondContact O-N 3.41Å; L247-Q250 PolarHBondContact O-N 3.17Å; L247-M251 HydrophobicContact CG-SD 4.3Å; L247-M251 VanDerWaalsContact O-CG 3.3Å; L247-M251 WeakPolarHBondContact O-CG 3.12Å; L247-M251 PolarHBondContact O-N 2.93Å
248A96.7Very high94.9Very high56 Ų56109 Ų10946%0.46353%0.529SS..Hα-helixtrans-62.2-42.8177.200000111.9L244 D245 M251 Y252L244-A248 WeakPolarHBondContact O-CB 3.08Å; L244-A248 PolarHBondContact O-N 3.49Å; D245-A248 WeakPolarHBondContact O-CB 3.34Å; D245-A248 PolarHBondContact O-N 2.85Å; D245-A248 VanDerWaalsContact O-N 3.15Å; A248-M251 PolarHBondContact O-N 3.44Å; A248-Y252 WeakPolarHBondContact O-CB 3.29Å; A248-Y252 PolarHBondContact O-N 2.87Å
249T96.7Very high94.7Very high68 Ų68106.3 Ų106.342%0.41752%0.522SS..Hα-helixtrans-62.2-46.2174.1-46.80000111.4D245 K246 M251 Y252 D253D245-T249 PolarHBondContact O-N 2.78Å; D245-T249 PolarHBondContact O-OG1 3.05Å; K246-T249 PolarHBondContact O-N 3.27Å; T249-M251 VanDerWaalsContact C-N 3.33Å; T249-M251 PolarHBondContact O-N 2.76Å; T249-Y252 WeakPolarHBondContact O-CB 3.4Å; T249-Y252 PolarHBondContact O-N 3.32Å; T249-Y252 VanDerWaalsContact O-N 3.15Å; T249-D253 VanDerWaalsContact O-CG 3.29Å; T249-D253 PolarHBondContact O-N 2.87Å
250Q95.9Very high94.5Very high121 Ų121104.8 Ų104.857%0.56553%0.532SS*.Hα-helixtrans-60.2-41.4177.5-76175.6-21.100112.6K246 L247 D253 T254K246-Q250 WeakPolarHBondContact O-CB 3.32Å; K246-Q250 VanDerWaalsContact O-CG 3.25Å; K246-Q250 WeakPolarHBondContact O-CG 3.36Å; K246-Q250 PolarHBondContact O-N 2.98Å; L247-Q250 PolarHBondContact O-N 3.17Å; Q250-D253 PolarHBondContact O-N 3.39Å; Q250-T254 WeakPolarHBondContact O-CB 3.32Å; Q250-T254 PolarHBondContact O-N 2.8Å; Q250-T254 PolarHBondContact O-OG1 2.97Å
251M95.2Very high94.3Very high95 Ų95108.6 Ų108.647%0.46855%0.545SS..Hα-helixtrans-63.5-43.3175.3-72177.473.300111.2L247 A248 T249 T254 F255L247-M251 HydrophobicContact CG-SD 4.3Å; L247-M251 VanDerWaalsContact O-CG 3.3Å; L247-M251 WeakPolarHBondContact O-CG 3.12Å; L247-M251 PolarHBondContact O-N 2.93Å; A248-M251 PolarHBondContact O-N 3.44Å; T249-M251 VanDerWaalsContact C-N 3.33Å; T249-M251 PolarHBondContact O-N 2.76Å; M251-T254 WeakPolarHBondContact O-CB 3.31Å; M251-T254 PolarHBondContact O-N 2.75Å; M251-F255 HydrophobicContact CB-CE2 4.39Å; M251-F255 HydrophobicContact CE-CE2 4.42Å; M251-F255 WeakPolarHBondContact O-CD2 3.31Å; M251-F255 WeakPolarHBondContact O-CG 3.36Å; M251-F255 PolarHBondContact O-N 3.37Å
252Y95.9Very high94Very high174 Ų174109.7 Ų109.768%0.68256%0.558SS**Hα-helixtrans-61.6-45.2177.2-173.5-95000112A248 T249 T254 F255 A256A248-Y252 WeakPolarHBondContact O-CB 3.29Å; A248-Y252 PolarHBondContact O-N 2.87Å; T249-Y252 WeakPolarHBondContact O-CB 3.4Å; T249-Y252 PolarHBondContact O-N 3.32Å; T249-Y252 VanDerWaalsContact O-N 3.15Å; Y252-T254 VanDerWaalsContact C-N 3.3Å; Y252-T254 PolarHBondContact O-N 3.18Å; Y252-F255 PolarHBondContact O-N 3.05Å; Y252-A256 PolarHBondContact O-N 3.23Å
253D95.4Very high93.5Very high97 Ų97112 Ų11252%0.51958%0.577SS.*Hα-helixtrans-61.8-39.1175.9-65.5-22.1000111.3T249 Q250 A256 E257T249-D253 VanDerWaalsContact O-CG 3.29Å; T249-D253 PolarHBondContact O-N 2.87Å; Q250-D253 PolarHBondContact O-N 3.39Å; D253-A256 PolarHBondContact O-N 3.21Å; D253-E257 PolarHBondContact O-N 3.39Å
254T94.5Very high93.1Very high73 Ų73110.4 Ų110.445%0.44858%0.58SS.*Hα-helixtrans-65.4-41.4176.5-53.10000111.7Q250 M251 Y252 A256 E257 M258Q250-T254 WeakPolarHBondContact O-CB 3.32Å; Q250-T254 PolarHBondContact O-N 2.8Å; Q250-T254 PolarHBondContact O-OG1 2.97Å; M251-T254 WeakPolarHBondContact O-CB 3.31Å; M251-T254 PolarHBondContact O-N 2.75Å; Y252-T254 VanDerWaalsContact C-N 3.3Å; Y252-T254 PolarHBondContact O-N 3.18Å; T254-A256 VanDerWaalsContact C-N 3.31Å; T254-A256 PolarHBondContact O-N 3.2Å; T254-E257 PolarHBondContact O-N 3.05Å; T254-M258 HydrophobicContact CG2-CE 4.43Å; T254-M258 PolarHBondContact O-N 3.35Å
255F93.4Very high92.5Very high118 Ų118112.4 Ų112.452%0.51859%0.591SS.*Hα-helixtrans-66.9-32.1175.2-70.8-51.6000112.4M251 Y252 E257 M258M251-F255 HydrophobicContact CB-CE2 4.39Å; M251-F255 HydrophobicContact CE-CE2 4.42Å; M251-F255 WeakPolarHBondContact O-CD2 3.31Å; M251-F255 WeakPolarHBondContact O-CG 3.36Å; M251-F255 PolarHBondContact O-N 3.37Å; Y252-F255 PolarHBondContact O-N 3.05Å; F255-E257 VanDerWaalsContact C-N 3.26Å; F255-E257 PolarHBondContact O-N 2.9Å; F255-M258 HydrophobicContact CD1-CE 4.3Å; F255-M258 HydrophobicContact CD1-SD 3.93Å; F255-M258 HydrophobicContact CE1-CE 4.48Å; F255-M258 HydrophobicContact CE1-SD 4.43Å; F255-M258 PolarHBondContact O-N 3.02Å
256A93.2Very high92.1Very high64 Ų64115.1 Ų115.153%0.52961%0.605SS.*Hα-helixtrans-68.2-25.6174.600000113Y252 D253 T254Y252-A256 PolarHBondContact O-N 3.23Å; D253-A256 PolarHBondContact O-N 3.21Å; T254-A256 VanDerWaalsContact C-N 3.31Å; T254-A256 PolarHBondContact O-N 3.2Å
257E93.1Very high91.6Very high141 Ų141113.2 Ų113.266%0.65960%0.604SS**Hα-helixtrans-77.5-20.1173.9-162.9-178.2164.700112.8D253 T254 F255 K259D253-E257 PolarHBondContact O-N 3.39Å; T254-E257 PolarHBondContact O-N 3.05Å; F255-E257 VanDerWaalsContact C-N 3.26Å; F255-E257 PolarHBondContact O-N 2.9Å; E257-K259 PolarHBondContact O-N 3.11Å
258M89.5Confident91.1Very high116 Ų116113.9 Ų113.957%0.57161%0.612SS**  trans-7574.4175.3-64.6-175.6-176.800111.1T254 F255T254-M258 HydrophobicContact CG2-CE 4.43Å; T254-M258 PolarHBondContact O-N 3.35Å; F255-M258 HydrophobicContact CD1-CE 4.3Å; F255-M258 HydrophobicContact CD1-SD 3.93Å; F255-M258 HydrophobicContact CE1-CE 4.48Å; F255-M258 HydrophobicContact CE1-SD 4.43Å; F255-M258 PolarHBondContact O-N 3.02Å
259K90.3Very high90.7Very high135 Ų135118.9 Ų118.959%0.58763%0.625SS**  trans-129.6149.9174.667.5-172-170.7176.70110.4E257 E261E257-K259 PolarHBondContact O-N 3.11Å; K259-E261 WeakPolarHBondContact CE-OE1 3.24Å; K259-E261 IonicContact NZ-OE1 3.37Å; K259-E261 PolarHBondContact NZ-OE1 3.13Å; K259-E261 PolarHBondContact O-N 2.91Å
260V90.4Very high90.3Very high142 Ų142124.6 Ų124.686%0.86165%0.645SS**  trans-78.8111.9173.61800000107.9
261E88.1Confident89.3Confident121 Ų121130 Ų13057%0.56568%0.678SS**  trans-71.1122.2172.9-69.3-66.9167.600109.2K259 V263K259-E261 WeakPolarHBondContact CE-OE1 3.24Å; K259-E261 IonicContact NZ-OE1 3.37Å; K259-E261 PolarHBondContact NZ-OE1 3.13Å; K259-E261 PolarHBondContact O-N 2.91Å; E261-V263 PolarHBondContact O-N 3.45Å; E261-V263 VanDerWaalsContact O-N 3.08Å
262P87.7Confident89Confident114 Ų114131.8 Ų131.874%0.7469%0.688SS**  trans-71.8105.9179.428.8-32.4000109.5
263V86.7Confident88.6Confident127 Ų127129.6 Ų129.677%0.7769%0.689SS**  trans-77.1-42.3176.5179.70000110.9E261E261-V263 PolarHBondContact O-N 3.45Å; E261-V263 VanDerWaalsContact O-N 3.08Å
264D87.6Confident88.3Confident122 Ų122131.4 Ų131.465%0.65270%0.698SS**SBendtrans-132.4155.5-175.4-68.7-51.5000111.6L266D264-L266 PolarHBondContact O-N 2.68Å
265N82.9Confident87.9Confident148 Ų148134.8 Ų134.879%0.79171%0.713SS**  trans-71.597.6169.8-119.7-38.3000108.7V267N265-V267 PolarHBondContact O-N 3.41Å
266L86.9Confident87.5Confident165 Ų165135.9 Ų135.986%0.86473%0.725SS**  trans-68.4-12.5-178.8-61.7179.1000113.5D264D264-L266 PolarHBondContact O-N 2.68Å
267V88.3Confident87.2Confident97 Ų97140.7 Ų140.759%0.58874%0.738SS**  trans-114.8107.8179.5-175.30000109.6N265N265-V267 PolarHBondContact O-N 3.41Å
268V85.6Confident86.7Confident97 Ų97140.6 Ų140.659%0.58874%0.744SS**PPolyproline II helixtrans-95121.7170.9-178.10000108.4F270V268-F270 HydrophobicContact CB-CZ 4.41Å; V268-F270 HydrophobicContact CG1-CE1 4.14Å; V268-F270 HydrophobicContact CG1-CZ 4.19Å
269H88.3Confident86.5Confident161 Ų161142.5 Ų142.575%0.74576%0.757SS**PPolyproline II helixtrans-85.3121.9171.4-66.676.9000108.7
270F86.7Confident86.2Confident188 Ų188143.2 Ų143.283%0.82577%0.771SS**PPolyproline II helixtrans-89.7117.8172-59.3-78.6000108.6V268V268-F270 HydrophobicContact CB-CZ 4.41Å; V268-F270 HydrophobicContact CG1-CE1 4.14Å; V268-F270 HydrophobicContact CG1-CZ 4.19Å
271N75.5Confident85.8Confident236 Ų236143.3 Ų143.3100%1.26276%0.763SS**  trans-94.30166.2-81.4-16.2000110.1

Retrieved 271 of 271 residues in 392.8 ms (Link to these results)