A0A096M3G6_POEFO Loading...

Testis development related protein

AlphaFold DB , UniProt , Accession A0A096M3G6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 214 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M60.2Low81.8Confident203 Ų203125.8 Ų125.8100%161%0.614SS**  0120.40-160.167.7143.200108.5P3 K6M1-P3 WeakPolarHBondContact O-CD 3.45Å; M1-K6 HydrophobicContact CG-CD 4.48Å
2N73.2Confident82Confident106 Ų106119.2 Ų119.257%0.56759%0.586SS**  trans-65.1116.5-174.4-171.8-32.5000110.6M4 W5N2-M4 PolarHBondContact O-N 3.41Å; N2-M4 WeakPolarHBondContact OD1-CB 3.33Å; N2-M4 PolarHBondContact OD1-N 3.39Å; N2-M4 VanDerWaalsContact OD1-N 3.09Å; N2-W5 PolarHBondContact O-N 3.18Å
3P80.4Confident82Confident92 Ų92118.2 Ų118.260%0.59758%0.581SS**Hα-helixtrans-64.7-28.6-174.225.2-33.6000112.9M1 W5 K6 V7M1-P3 WeakPolarHBondContact O-CD 3.45Å; P3-W5 VanDerWaalsContact C-N 3.35Å; P3-W5 PolarHBondContact O-N 3.13Å; P3-K6 PolarHBondContact O-N 3.36Å; P3-V7 PolarHBondContact O-N 3.37Å
4M82.5Confident81.3Confident140 Ų140122 Ų12269%0.6959%0.593SS**Hα-helixtrans-65.4-38.3-179.8-66.2-65.7-76.600112.1N2 K6 V7 Y8N2-M4 PolarHBondContact O-N 3.41Å; N2-M4 WeakPolarHBondContact OD1-CB 3.33Å; N2-M4 PolarHBondContact OD1-N 3.39Å; N2-M4 VanDerWaalsContact OD1-N 3.09Å; M4-K6 VanDerWaalsContact C-N 3.33Å; M4-K6 PolarHBondContact O-N 3.28Å; M4-V7 PolarHBondContact O-N 3.35Å; M4-Y8 WeakPolarHBondContact O-CB 3.41Å; M4-Y8 PolarHBondContact O-N 3.24Å
5W83.9Confident80.5Confident147 Ų147120.7 Ų120.756%0.55760%0.596SS**Hα-helixtrans-63.4-37.1176.7160.4-98.7000112.2N2 P3 Y8 K9N2-W5 PolarHBondContact O-N 3.18Å; P3-W5 VanDerWaalsContact C-N 3.35Å; P3-W5 PolarHBondContact O-N 3.13Å; W5-Y8 PolarHBondContact O-N 3.16Å; W5-K9 HydrophobicContact CZ2-CD 4.44Å; W5-K9 WeakPolarHBondContact O-CB 3.15Å; W5-K9 PolarHBondContact O-N 2.96Å
6K85.5Confident79.5Confident141 Ų141120.7 Ų120.761%0.61360%0.598SS**Hα-helixtrans-67.3-40.2178.5-65.6-172.272.2172.70111.7M1 P3 M4 G10M1-K6 HydrophobicContact CG-CD 4.48Å; P3-K6 PolarHBondContact O-N 3.36Å; M4-K6 VanDerWaalsContact C-N 3.33Å; M4-K6 PolarHBondContact O-N 3.28Å; K6-G10 PolarHBondContact O-N 3.46Å
7V88.9Confident78Confident104 Ų104120.6 Ų120.663%0.6360%0.6SS**Hα-helixtrans-67.4-45.1176.2178.40000110.5P3 M4 G10 K11P3-V7 PolarHBondContact O-N 3.37Å; M4-V7 PolarHBondContact O-N 3.35Å; V7-G10 PolarHBondContact O-N 3.44Å; V7-K11 WeakPolarHBondContact O-CB 3.2Å; V7-K11 PolarHBondContact O-N 3.38Å
8Y86.7Confident76.8Confident153 Ų153119.7 Ų119.760%0.660%0.604SS**Hα-helixtrans-62-50.3177.2179.6-103.4000111.8M4 W5 G10 K11 V12M4-Y8 WeakPolarHBondContact O-CB 3.41Å; M4-Y8 PolarHBondContact O-N 3.24Å; W5-Y8 PolarHBondContact O-N 3.16Å; Y8-G10 VanDerWaalsContact C-N 3.33Å; Y8-G10 PolarHBondContact O-N 2.94Å; Y8-K11 PolarHBondContact O-N 3.46Å; Y8-K11 VanDerWaalsContact O-N 3.09Å; Y8-V12 HydrophobicContact CD1-CG2 4.12Å; Y8-V12 HydrophobicContact CD2-CG2 4.15Å; Y8-V12 HydrophobicContact CE1-CG2 3.71Å; Y8-V12 HydrophobicContact CE2-CG2 3.75Å; Y8-V12 HydrophobicContact CG-CG2 4.33Å; Y8-V12 WeakPolarHBondContact O-CG2 3.26Å; Y8-V12 PolarHBondContact O-N 3.43Å
9K86.8Confident74.9Confident112 Ų112122.1 Ų122.149%0.48761%0.613SS.*Hα-helixtrans-56.1-47.5175.2-173.9-170.3-179.9-173.70111.1W5 K11 V12 M13W5-K9 HydrophobicContact CZ2-CD 4.44Å; W5-K9 WeakPolarHBondContact O-CB 3.15Å; W5-K9 PolarHBondContact O-N 2.96Å; K9-K11 VanDerWaalsContact C-N 3.27Å; K9-K11 PolarHBondContact O-N 3.27Å; K9-V12 PolarHBondContact O-N 3.22Å; K9-M13 HydrophobicContact CG-CG 4.09Å; K9-M13 VanDerWaalsContact O-CB 3.3Å; K9-M13 WeakPolarHBondContact O-CB 3.44Å; K9-M13 WeakPolarHBondContact O-CG 3.27Å; K9-M13 PolarHBondContact O-N 3.44Å
10G87.6Confident73.7Confident34 Ų34126.3 Ų126.335%0.35162%0.623SS.*Hα-helixtrans-60.3-37.7177.900000112.7K6 V7 Y8 K14K6-G10 PolarHBondContact O-N 3.46Å; V7-G10 PolarHBondContact O-N 3.44Å; Y8-G10 VanDerWaalsContact C-N 3.33Å; Y8-G10 PolarHBondContact O-N 2.94Å; G10-K14 VanDerWaalsContact O-CB 3.26Å; G10-K14 WeakPolarHBondContact O-CB 3.5Å; G10-K14 WeakPolarHBondContact O-CG 3.18Å; G10-K14 PolarHBondContact O-N 3.33Å; G10-K14 VanDerWaalsContact O-N 3.07Å
11K83.9Confident72.6Confident152 Ų152129.8 Ų129.866%0.66164%0.638SS**Hα-helixtrans-72.5-43.3179-159.2162-173.3170.30112.4V7 Y8 K9 K14 T15V7-K11 WeakPolarHBondContact O-CB 3.2Å; V7-K11 PolarHBondContact O-N 3.38Å; Y8-K11 PolarHBondContact O-N 3.46Å; Y8-K11 VanDerWaalsContact O-N 3.09Å; K9-K11 VanDerWaalsContact C-N 3.27Å; K9-K11 PolarHBondContact O-N 3.27Å; K11-K14 PolarHBondContact O-N 3.33Å; K11-T15 PolarHBondContact O-N 2.88Å; K11-T15 VanDerWaalsContact O-N 3.13Å; K11-T15 PolarHBondContact O-OG1 3.43Å
12V84.5Confident71.8Confident46 Ų46128.9 Ų128.928%0.27963%0.631SS.*Hα-helixtrans-65.5-44.2176.6171.60000111.4Y8 K9 K14 T15 L16Y8-V12 HydrophobicContact CD1-CG2 4.12Å; Y8-V12 HydrophobicContact CD2-CG2 4.15Å; Y8-V12 HydrophobicContact CE1-CG2 3.71Å; Y8-V12 HydrophobicContact CE2-CG2 3.75Å; Y8-V12 HydrophobicContact CG-CG2 4.33Å; Y8-V12 WeakPolarHBondContact O-CG2 3.26Å; Y8-V12 PolarHBondContact O-N 3.43Å; K9-V12 PolarHBondContact O-N 3.22Å; V12-K14 VanDerWaalsContact C-N 3.3Å; V12-K14 PolarHBondContact O-N 3.44Å; V12-T15 PolarHBondContact O-N 3.04Å; V12-T15 PolarHBondContact O-OG1 3.34Å; V12-L16 HydrophobicContact CG1-CD1 4.16Å; V12-L16 PolarHBondContact O-N 3.49Å
13M82.6Confident70.4Confident107 Ų107127.8 Ų127.853%0.52763%0.625SS.*Hα-helixtrans-67.1-33.3178.1-66-63.5-7000111.8K9 L16K9-M13 HydrophobicContact CG-CG 4.09Å; K9-M13 VanDerWaalsContact O-CB 3.3Å; K9-M13 WeakPolarHBondContact O-CB 3.44Å; K9-M13 WeakPolarHBondContact O-CG 3.27Å; K9-M13 PolarHBondContact O-N 3.44Å; M13-L16 PolarHBondContact O-N 3.05Å
14K72.1Confident68.7Low171 Ų171128.6 Ų128.674%0.74363%0.628SS**Hα-helixtrans-68.6-36.4175.3-84.4175.2165.3176.30113.3G10 K11 V12 L16G10-K14 VanDerWaalsContact O-CB 3.26Å; G10-K14 WeakPolarHBondContact O-CB 3.5Å; G10-K14 WeakPolarHBondContact O-CG 3.18Å; G10-K14 PolarHBondContact O-N 3.33Å; G10-K14 VanDerWaalsContact O-N 3.07Å; K11-K14 PolarHBondContact O-N 3.33Å; V12-K14 VanDerWaalsContact C-N 3.3Å; V12-K14 PolarHBondContact O-N 3.44Å; K14-L16 VanDerWaalsContact C-N 3.26Å; K14-L16 PolarHBondContact O-N 2.99Å
15T68.2Low67Low103 Ų103126.1 Ų126.163%0.63263%0.631SS**Hα-helixtrans-75.9-15176.350.70000113.6K11 V12K11-T15 PolarHBondContact O-N 2.88Å; K11-T15 VanDerWaalsContact O-N 3.13Å; K11-T15 PolarHBondContact O-OG1 3.43Å; V12-T15 PolarHBondContact O-N 3.04Å; V12-T15 PolarHBondContact O-OG1 3.34Å
16L65.3Low65.4Low120 Ų120126.1 Ų126.163%0.62864%0.637SS**Hα-helixtrans-83.3-20177.6-111.1136.4000113V12 M13 K14 P18V12-L16 HydrophobicContact CG1-CD1 4.16Å; V12-L16 PolarHBondContact O-N 3.49Å; M13-L16 PolarHBondContact O-N 3.05Å; K14-L16 VanDerWaalsContact C-N 3.26Å; K14-L16 PolarHBondContact O-N 2.99Å; L16-P18 VanDerWaalsContact C-CD 3.45Å
17N53.8Low63.7Low120 Ų120124 Ų12464%0.64263%0.629SS**  trans-126.963.5179.8-72.6-15.9000113.5
18P56.5Low62Low104 Ų104126.7 Ų126.768%0.67563%0.634SS**SBendtrans-86.7-9175.931.2-31.4000115.5L16L16-P18 VanDerWaalsContact C-CD 3.45Å
19E41Very low60.2Low165 Ų165127.3 Ų127.377%0.77164%0.643SS**SBendtrans-115.21.3-166.6-72.7-172170.100116.9E21E19-E21 PolarHBondContact O-N 3.12Å
20Y51.3Low58.7Low206 Ų206129.7 Ų129.781%0.80865%0.653SS**THydrogen-bonded Turntrans-94.311.9-167-114.7-82.4000117.6
21E49.1Very low57.3Low199 Ų199132.5 Ų132.593%0.9366%0.659SS**THydrogen-bonded Turntrans-113.2-3.1-179.9-113.2176.7-174.200115.4E19E19-E21 PolarHBondContact O-N 3.12Å
22E44.6Very low55.8Low184 Ų184129.9 Ų129.986%0.8666%0.66SS**SBendtrans-120.8-11.7-173.8-145.4165.4-161.500115.9
23D42.9Very low54.3Low84 Ų84134.1 Ų134.145%0.44968%0.68SS.*SBendtrans-103.5-10.8-166.9-134.7-7.9000116.2A25 E26 E27D23-A25 PolarHBondContact O-N 3.08Å; D23-A25 VanDerWaalsContact O-N 3.13Å; D23-E26 PolarHBondContact O-N 3.45Å; D23-E27 WeakPolarHBondContact O-CB 3.37Å; D23-E27 PolarHBondContact O-N 3.44Å
24T45.9Very low52.5Low108 Ų108132.5 Ų132.566%0.66368%0.679SS**THydrogen-bonded Turntrans-71-11.3-174.335.10000115.3
25A45.4Very low51.5Low89 Ų89129.7 Ų129.774%0.73668%0.676SS**THydrogen-bonded Turntrans-100.4-23.917700000113.5D23D23-A25 PolarHBondContact O-N 3.08Å; D23-A25 VanDerWaalsContact O-N 3.13Å
26E49.9Very low50.3Low147 Ų147130.2 Ų130.269%0.68768%0.679SS**THydrogen-bonded Turntrans-93.4-22179.4-66.4-165.3166.800112.6D23 E28 H29 K30D23-E26 PolarHBondContact O-N 3.45Å; E26-E28 PolarHBondContact O-N 3.26Å; E26-H29 PolarHBondContact O-N 3.36Å; E26-K30 PolarHBondContact O-N 3.34Å
27E50.8Low49.1Very low95 Ų95132.6 Ų132.644%0.44469%0.687SS.*Hα-helixtrans-65.5-36-179.1-117.6167.7152.800113.9D23 H29 K30 I31D23-E27 WeakPolarHBondContact O-CB 3.37Å; D23-E27 PolarHBondContact O-N 3.44Å; E27-H29 VanDerWaalsContact C-N 3.31Å; E27-H29 PolarHBondContact O-N 2.96Å; E27-K30 PolarHBondContact O-N 2.94Å; E27-I31 HydrophobicContact CB-CD1 4.3Å; E27-I31 HydrophobicContact CG-CD1 4.33Å; E27-I31 WeakPolarHBondContact O-CB 3.13Å; E27-I31 WeakPolarHBondContact O-CD1 3.44Å; E27-I31 WeakPolarHBondContact O-CG1 3.3Å; E27-I31 PolarHBondContact O-N 3.39Å
28E53.7Low48.7Very low161 Ų161131.6 Ų131.675%0.75269%0.685SS**Hα-helixtrans-66.8-32.9-179.4-64.1-16716700112.5E26E26-E28 PolarHBondContact O-N 3.26Å
29H49.3Very low48.1Very low166 Ų166135.1 Ų135.177%0.76969%0.693SS**Hα-helixtrans-79.3-26.4178.9-159.5-101.3000112.3E26 E27E26-H29 PolarHBondContact O-N 3.36Å; E27-H29 VanDerWaalsContact C-N 3.31Å; E27-H29 PolarHBondContact O-N 2.96Å
30K54.1Low48Very low162 Ų162135.7 Ų135.770%0.70470%0.695SS**Hα-helixtrans-83.5-37.7178.5-167.4165.7-176.2-86.20112.8E26 E27 S32 L33 S34E26-K30 PolarHBondContact O-N 3.34Å; E27-K30 PolarHBondContact O-N 2.94Å; K30-S32 VanDerWaalsContact C-N 3.26Å; K30-S32 PolarHBondContact O-N 3.38Å; K30-L33 PolarHBondContact O-N 2.85Å; K30-L33 VanDerWaalsContact O-N 3.16Å; K30-S34 PolarHBondContact O-N 3.35Å; K30-S34 PolarHBondContact O-OG 3.09Å
31I58.3Low47.1Very low94 Ų94131.5 Ų131.548%0.48269%0.687SS.*Hα-helixtrans-63.2-35.2177.3-69163.8000110.9E27 L33 S34 V35E27-I31 HydrophobicContact CB-CD1 4.3Å; E27-I31 HydrophobicContact CG-CD1 4.33Å; E27-I31 WeakPolarHBondContact O-CB 3.13Å; E27-I31 WeakPolarHBondContact O-CD1 3.44Å; E27-I31 WeakPolarHBondContact O-CG1 3.3Å; E27-I31 PolarHBondContact O-N 3.39Å; I31-L33 VanDerWaalsContact C-N 3.25Å; I31-L33 PolarHBondContact O-N 3.07Å; I31-S34 WeakPolarHBondContact CA-OG 3.37Å; I31-S34 PolarHBondContact O-N 2.87Å; I31-S34 PolarHBondContact O-OG 3.3Å; I31-S34 VanDerWaalsContact O-OG 3.05Å; I31-V35 WeakPolarHBondContact O-CG2 3.4Å
32S51.9Low46.9Very low96 Ų96130.7 Ų130.767%0.67169%0.685SS**Hα-helixtrans-70.9-18178.6-153.90000113.9K30K30-S32 VanDerWaalsContact C-N 3.26Å; K30-S32 PolarHBondContact O-N 3.38Å
33L53.3Low46.6Very low135 Ų135125.5 Ų125.571%0.70767%0.669SS**Hα-helixtrans-91.2-31.7176.6-157.573.8000112.1K30 I31 T36K30-L33 PolarHBondContact O-N 2.85Å; K30-L33 VanDerWaalsContact O-N 3.16Å; I31-L33 VanDerWaalsContact C-N 3.25Å; I31-L33 PolarHBondContact O-N 3.07Å; L33-T36 PolarHBondContact O-OG1 3.39Å
34S45Very low46.6Very low73 Ų73127.8 Ų127.851%0.5169%0.688SS.*Hα-helixtrans-77-19.2-178.154.70000115K30 I31 T36K30-S34 PolarHBondContact O-N 3.35Å; K30-S34 PolarHBondContact O-OG 3.09Å; I31-S34 WeakPolarHBondContact CA-OG 3.37Å; I31-S34 PolarHBondContact O-N 2.87Å; I31-S34 PolarHBondContact O-OG 3.3Å; I31-S34 VanDerWaalsContact O-OG 3.05Å; S34-T36 VanDerWaalsContact C-N 3.26Å; S34-T36 PolarHBondContact O-N 2.87Å
35V50.6Low46.3Very low112 Ų112128.9 Ų128.968%0.67969%0.689SS**THydrogen-bonded Turntrans-74.3-19.3179.5173.90000112I31I31-V35 WeakPolarHBondContact O-CG2 3.4Å
36T42.9Very low46.4Very low114 Ų114133.2 Ų133.270%0.69969%0.694SS**THydrogen-bonded Turntrans-88-9.3178.426.20000115.1L33 S34 V38L33-T36 PolarHBondContact O-OG1 3.39Å; S34-T36 VanDerWaalsContact C-N 3.26Å; S34-T36 PolarHBondContact O-N 2.87Å; T36-V38 PolarHBondContact O-N 3.34Å
37E40.6Very low46.2Very low171 Ų171133.1 Ų133.180%0.79969%0.694SS**  trans-98.970.6177-159.2174.3-172.200110.3
38V45.9Very low46Very low98 Ų98136 Ų13659%0.59471%0.712SS**  trans-53.2138.2160.6160.50000110.1T36T36-V38 PolarHBondContact O-N 3.34Å
39E44.2Very low46Very low179 Ų179134.2 Ų134.284%0.83670%0.703SS**  trans62.584.4153.3-67.6162.7-174.500118.6
40H39Very low46.6Very low176 Ų176128.6 Ų128.682%0.81569%0.69SS**  trans-144.7106.8145.4-157.7-96.4000112.7
41D31.6Very low46.9Very low118 Ų118126.8 Ų126.863%0.63170%0.695SS**  trans90.591.3138.1-153.622.4000119.8S43D41-S43 PolarHBondContact O-N 3.13Å
42M45.3Very low47.4Very low183 Ų183125.7 Ų125.790%0.90169%0.69SS**  trans-60.3102.6154.5-79.3-87.6-17200111
43S37Very low48.3Very low75 Ų75124.7 Ų124.752%0.52469%0.688SS.*  trans-170.8102.9146.846.60000114.1D41 I45D41-S43 PolarHBondContact O-N 3.13Å; S43-I45 PolarHBondContact O-N 3.47Å; S43-I45 VanDerWaalsContact O-N 3.15Å
44P44.8Very low49.2Very low131 Ų131122.9 Ų122.985%0.85168%0.682SS**  trans-73.3102148.528.1-26.7000107.9Q46P44-Q46 PolarHBondContact O-N 3.44Å
45I37.7Very low50.6Low131 Ų131120.8 Ų120.867%0.67267%0.667SS**  trans-28114.4166.1-72.5154.9000111.2S43 E47S43-I45 PolarHBondContact O-N 3.47Å; S43-I45 VanDerWaalsContact O-N 3.15Å; I45-E47 VanDerWaalsContact C-N 3.3Å; I45-E47 HydrophobicContact CG2-CG 3.55Å; I45-E47 PolarHBondContact O-N 3.39Å
46Q48.2Very low51.8Low181 Ų181121.2 Ų121.285%0.84666%0.662SS**  trans-71.587168.3-178.7178-11.900107.7P44 D48P44-Q46 PolarHBondContact O-N 3.44Å; Q46-D48 PolarHBondContact O-N 3.39Å
47E45.3Very low53.3Low145 Ų145120 Ų12068%0.67865%0.651SS**  trans-75105.5163.9-56.9-160.9178.300107.4I45 E49I45-E47 VanDerWaalsContact C-N 3.3Å; I45-E47 HydrophobicContact CG2-CG 3.55Å; I45-E47 PolarHBondContact O-N 3.39Å; E47-E49 PolarHBondContact O-N 3.24Å
48D48.2Very low54.8Low154 Ų154114.1 Ų114.182%0.82463%0.632SS**  trans-61.974.5166.8-173.365.3000109Q46Q46-D48 PolarHBondContact O-N 3.39Å
49E52.2Low56Low124 Ų124118.4 Ų118.458%0.57964%0.637SS**  trans-105.4109.3171.6-141.6179.2-162.800107.3E47 S55E47-E49 PolarHBondContact O-N 3.24Å; E49-S55 PolarHBondContact OE2-OG 3.38Å
50G62.1Low57.2Low48 Ų48117.9 Ų117.950%0.49563%0.632SS.*  trans-50166.7177.900000112.4N52G50-N52 PolarHBondContact O-N 3.46Å
51P60.2Low58.3Low124 Ų124115.1 Ų115.181%0.80562%0.621SS**  trans-62.577.4-164.327-36000113.3
52N69.4Low60.1Low71 Ų71117.6 Ų117.638%0.3863%0.629SS.*  trans-89.1121.7173.7-176.2-13.8000106.9G50 V54 S55 Q56G50-N52 PolarHBondContact O-N 3.46Å; N52-V54 PolarHBondContact O-N 3.41Å; N52-V54 VanDerWaalsContact O-N 3.11Å; N52-V54 WeakPolarHBondContact OD1-CB 3.42Å; N52-V54 PolarHBondContact OD1-N 2.89Å; N52-S55 PolarHBondContact O-N 2.88Å; N52-Q56 PolarHBondContact O-N 3.22Å
53A71.6Confident60.9Low75 Ų75111.9 Ų111.962%0.6262%0.617SS**Hα-helixtrans-53.7-31.3178.400000111.9L57A53-L57 WeakPolarHBondContact O-CB 3.45Å; A53-L57 PolarHBondContact O-N 2.73Å
54V72.2Confident61.9Low98 Ų98110.4 Ų110.459%0.59461%0.61SS**Hα-helixtrans-69.6-44.4176.2-176.50000111.1N52 L57 A58N52-V54 PolarHBondContact O-N 3.41Å; N52-V54 VanDerWaalsContact O-N 3.11Å; N52-V54 WeakPolarHBondContact OD1-CB 3.42Å; N52-V54 PolarHBondContact OD1-N 2.89Å; V54-L57 PolarHBondContact O-N 3.01Å; V54-A58 WeakPolarHBondContact O-CB 3.42Å; V54-A58 PolarHBondContact O-N 3.29Å
55S74.6Confident62.9Low28 Ų28106.3 Ų106.320%0.19659%0.591CS.*Hα-helixtrans-68.8-35.3178.7-47.80000111.8E49 N52 R59E49-S55 PolarHBondContact OE2-OG 3.38Å; N52-S55 PolarHBondContact O-N 2.88Å; S55-R59 VanDerWaalsContact O-CB 3.29Å; S55-R59 WeakPolarHBondContact O-CB 3.49Å; S55-R59 PolarHBondContact O-N 2.82Å
56Q75.6Confident63.8Low121 Ų121103.6 Ų103.657%0.56559%0.588SS**Hα-helixtrans-66.2-43.1171.4-67.1-1762100112.2N52 K60N52-Q56 PolarHBondContact O-N 3.22Å; Q56-K60 WeakPolarHBondContact O-CB 3.16Å; Q56-K60 PolarHBondContact O-N 3.42Å
57L72.6Confident64.3Low88 Ų88103.1 Ų103.146%0.46158%0.583SS.*Hα-helixtrans-66.3-45.4177-179.464.2000111A53 V54 R59 K60 M61A53-L57 WeakPolarHBondContact O-CB 3.45Å; A53-L57 PolarHBondContact O-N 2.73Å; V54-L57 PolarHBondContact O-N 3.01Å; L57-R59 PolarHBondContact O-N 2.79Å; L57-K60 CarbonylContact O-C 3.57Å; L57-K60 PolarHBondContact O-N 3.33Å; L57-K60 VanDerWaalsContact O-N 3.11Å; L57-M61 HydrophobicContact CD1-CE 4.17Å; L57-M61 HydrophobicContact CD1-CG 3.97Å; L57-M61 HydrophobicContact CD1-SD 3.71Å; L57-M61 HydrophobicContact CD2-SD 4.12Å; L57-M61 HydrophobicContact CG-CG 4.24Å; L57-M61 HydrophobicContact CG-SD 3.67Å; L57-M61 VanDerWaalsContact O-CB 3.28Å; L57-M61 WeakPolarHBondContact O-CB 3.39Å; L57-M61 WeakPolarHBondContact O-CG 3.37Å; L57-M61 PolarHBondContact O-N 3.09Å
58A72.9Confident65.1Low49 Ų4998.3 Ų98.341%0.40557%0.565SS.*Hα-helixtrans-58.2-48.117600000110.1V54 K60 M61 Q62V54-A58 WeakPolarHBondContact O-CB 3.42Å; V54-A58 PolarHBondContact O-N 3.29Å; A58-K60 VanDerWaalsContact C-N 3.29Å; A58-K60 PolarHBondContact O-N 3.46Å; A58-M61 CarbonylContact O-C 3.46Å; A58-M61 PolarHBondContact O-N 2.95Å; A58-M61 VanDerWaalsContact O-N 3.1Å; A58-Q62 WeakPolarHBondContact O-CA 3.21Å; A58-Q62 WeakPolarHBondContact O-CB 3.34Å; A58-Q62 PolarHBondContact O-N 3.44Å
59R71.3Confident65.9Low187 Ų187101 Ų10171%0.70656%0.564SS**Hα-helixtrans-60.1-37.7174.9-167.6179.3-64.6171.50.6112.5S55 L57S55-R59 VanDerWaalsContact O-CB 3.29Å; S55-R59 WeakPolarHBondContact O-CB 3.49Å; S55-R59 PolarHBondContact O-N 2.82Å; L57-R59 PolarHBondContact O-N 2.79Å
60K68.3Low66.4Low168 Ų168100.7 Ų100.773%0.7357%0.566SS**Hα-helixtrans-72.5-31.5176.1-155.3168.783.8161.30112.8Q56 L57 A58Q56-K60 WeakPolarHBondContact O-CB 3.16Å; Q56-K60 PolarHBondContact O-N 3.42Å; L57-K60 CarbonylContact O-C 3.57Å; L57-K60 PolarHBondContact O-N 3.33Å; L57-K60 VanDerWaalsContact O-N 3.11Å; A58-K60 VanDerWaalsContact C-N 3.29Å; A58-K60 PolarHBondContact O-N 3.46Å
61M64.2Low66.5Low118 Ų118108.2 Ų108.258%0.58158%0.58SS**Hα-helixtrans-90.6-20.3-179.3-75.1-177.6143.100113.6L57 A58 G63 A64L57-M61 HydrophobicContact CD1-CE 4.17Å; L57-M61 HydrophobicContact CD1-CG 3.97Å; L57-M61 HydrophobicContact CD1-SD 3.71Å; L57-M61 HydrophobicContact CD2-SD 4.12Å; L57-M61 HydrophobicContact CG-CG 4.24Å; L57-M61 HydrophobicContact CG-SD 3.67Å; L57-M61 VanDerWaalsContact O-CB 3.28Å; L57-M61 WeakPolarHBondContact O-CB 3.39Å; L57-M61 WeakPolarHBondContact O-CG 3.37Å; L57-M61 PolarHBondContact O-N 3.09Å; A58-M61 CarbonylContact O-C 3.46Å; A58-M61 PolarHBondContact O-N 2.95Å; A58-M61 VanDerWaalsContact O-N 3.1Å; M61-G63 PolarHBondContact O-N 3.18Å; M61-A64 CarbonylContact O-C 3.49Å; M61-A64 WeakPolarHBondContact O-CA 3.38Å; M61-A64 PolarHBondContact O-N 3.04Å
62Q69.1Low66.7Low170 Ų170108.7 Ų108.779%0.79457%0.57SS**THydrogen-bonded Turntrans-65.5-17.7178.5-173.7174.1-4.900111.9A58A58-Q62 WeakPolarHBondContact O-CA 3.21Å; A58-Q62 WeakPolarHBondContact O-CB 3.34Å; A58-Q62 PolarHBondContact O-N 3.44Å
63G61Low66.4Low63 Ų63109.1 Ų109.165%0.64958%0.578SS**THydrogen-bonded Turntrans-99.5-10166.100000114.9M61M61-G63 PolarHBondContact O-N 3.18Å
64A57.7Low65.9Low45 Ų45109.2 Ų109.237%0.37257%0.574SS.*  trans-103.835.9-175.700000112.6M61 S68M61-A64 CarbonylContact O-C 3.49Å; M61-A64 WeakPolarHBondContact O-CA 3.38Å; M61-A64 PolarHBondContact O-N 3.04Å; A64-S68 PolarHBondContact O-OG 3.36Å
65G66.4Low65.6Low44 Ų44110.2 Ų110.245%0.45458%0.576SS.*SBendtrans-71.4-172.4163.800000112K67 S68G65-K67 CarbonylContact O-C 3.56Å; G65-K67 WeakPolarHBondContact O-CA 3.3Å; G65-K67 PolarHBondContact O-N 3.46Å; G65-S68 PolarHBondContact O-N 3.15Å; G65-S68 PolarHBondContact O-OG 3.04Å; G65-S68 VanDerWaalsContact O-OG 3.07Å
66A57.7Low65.2Low75 Ų75114.5 Ų114.562%0.6259%0.591SS**THydrogen-bonded Turntrans-32-29.9-172.400000118.4S68 W69 N70A66-S68 VanDerWaalsContact C-N 3.32Å; A66-S68 PolarHBondContact O-N 3.39Å; A66-W69 PolarHBondContact O-N 2.95Å; A66-N70 PolarHBondContact O-N 3.08Å; A66-N70 PolarHBondContact O-ND2 3.08Å; A66-N70 VanDerWaalsContact O-ND2 3.09Å
67K57.9Low64.6Low171 Ų171113.7 Ų113.774%0.74359%0.59SS**Hα-helixtrans-55.5-38.4170-49.6176.7-178-179.90113.5G65 R71G65-K67 CarbonylContact O-C 3.56Å; G65-K67 WeakPolarHBondContact O-CA 3.3Å; G65-K67 PolarHBondContact O-N 3.46Å; K67-R71 WeakPolarHBondContact O-CG 3.47Å; K67-R71 PolarHBondContact O-N 2.86Å; K67-R71 VanDerWaalsContact O-N 3.1Å
68S62.4Low64.2Low43 Ų43117.1 Ų117.130%0.30160%0.602SS.*Hα-helixtrans-73.8-37.7179.568.70000112.4A64 G65 A66 R71 F72A64-S68 PolarHBondContact O-OG 3.36Å; G65-S68 PolarHBondContact O-N 3.15Å; G65-S68 PolarHBondContact O-OG 3.04Å; G65-S68 VanDerWaalsContact O-OG 3.07Å; A66-S68 VanDerWaalsContact C-N 3.32Å; A66-S68 PolarHBondContact O-N 3.39Å; S68-R71 PolarHBondContact O-N 3.29Å; S68-F72 PolarHBondContact O-N 3.09Å
69W63.8Low63.6Low211 Ų211122.2 Ų122.280%0.79962%0.617SS**Hα-helixtrans-66.7-41.2172.8-93.335.2000112.1A66 R71 F72 S73A66-W69 PolarHBondContact O-N 2.95Å; W69-R71 VanDerWaalsContact C-N 3.32Å; W69-R71 PolarHBondContact O-N 3.4Å; W69-F72 PolarHBondContact O-N 3.43Å; W69-F72 VanDerWaalsContact O-N 3.17Å; W69-S73 PolarHBondContact O-N 2.66Å
70N63.6Low63.3Low117 Ų117115.9 Ų115.963%0.62660%0.597SS**Hα-helixtrans-62.5-38.5172.8-72.8-39.9000111.9A66 S73 S74A66-N70 PolarHBondContact O-N 3.08Å; A66-N70 PolarHBondContact O-ND2 3.08Å; A66-N70 VanDerWaalsContact O-ND2 3.09Å; N70-S73 PolarHBondContact O-N 3.17Å; N70-S74 PolarHBondContact O-N 3.21Å
71R64.8Low63.1Low207 Ų207112.9 Ų112.978%0.78159%0.586SS**Hα-helixtrans-67.8-31.8172.5-78.4-131.8179.7178.6-0.1113.6K67 S68 W69 S74K67-R71 WeakPolarHBondContact O-CG 3.47Å; K67-R71 PolarHBondContact O-N 2.86Å; K67-R71 VanDerWaalsContact O-N 3.1Å; S68-R71 PolarHBondContact O-N 3.29Å; W69-R71 VanDerWaalsContact C-N 3.32Å; W69-R71 PolarHBondContact O-N 3.4Å; R71-S74 WeakPolarHBondContact O-CB 3.24Å; R71-S74 PolarHBondContact O-N 2.87Å
72F63.8Low62.7Low133 Ų133112.7 Ų112.758%0.58358%0.583SS**Hα-helixtrans-72.4-36174.9-150.8-91.9000111.8S68 W69 S74 L75 F76S68-F72 PolarHBondContact O-N 3.09Å; W69-F72 PolarHBondContact O-N 3.43Å; W69-F72 VanDerWaalsContact O-N 3.17Å; F72-S74 PolarHBondContact O-N 3.34Å; F72-L75 HydrophobicContact CD2-CD1 3.93Å; F72-L75 HydrophobicContact CE2-CD1 4.11Å; F72-L75 HydrophobicContact CG-CD1 4.29Å; F72-L75 WeakPolarHBondContact O-CB 3.47Å; F72-L75 PolarHBondContact O-N 3.21Å; F72-L75 VanDerWaalsContact O-N 3.15Å; F72-F76 HydrophobicContact CD1-CE2 4.43Å; F72-F76 HydrophobicContact CE1-CE2 4.3Å
73S63.3Low62.3Low81 Ų81110.6 Ų110.657%0.56657%0.574SS**Hα-helixtrans-62.8-27.6170.2-172.40000112.7W69 N70 L75 F76W69-S73 PolarHBondContact O-N 2.66Å; N70-S73 PolarHBondContact O-N 3.17Å; S73-L75 VanDerWaalsContact C-N 3.28Å; S73-L75 PolarHBondContact O-N 3.3Å; S73-F76 PolarHBondContact O-N 3.28Å
74S61.7Low62.2Low76 Ų76112.8 Ų112.853%0.53157%0.57SS.*THydrogen-bonded Turntrans-74.9-14.2176.1-173.20000113.8N70 R71 F72 F76N70-S74 PolarHBondContact O-N 3.21Å; R71-S74 WeakPolarHBondContact O-CB 3.24Å; R71-S74 PolarHBondContact O-N 2.87Å; F72-S74 PolarHBondContact O-N 3.34Å; S74-F76 VanDerWaalsContact C-N 3.32Å
75L65.2Low62Low119 Ų119116 Ų11662%0.62358%0.58SS**THydrogen-bonded Turntrans-73.1-29.8172.7-65.7170.7000111.2F72 S73 N77F72-L75 HydrophobicContact CD2-CD1 3.93Å; F72-L75 HydrophobicContact CE2-CD1 4.11Å; F72-L75 HydrophobicContact CG-CD1 4.29Å; F72-L75 WeakPolarHBondContact O-CB 3.47Å; F72-L75 PolarHBondContact O-N 3.21Å; F72-L75 VanDerWaalsContact O-N 3.15Å; S73-L75 VanDerWaalsContact C-N 3.28Å; S73-L75 PolarHBondContact O-N 3.3Å; L75-N77 VanDerWaalsContact C-N 3.34Å; L75-N77 PolarHBondContact O-N 2.81Å
76F65.4Low61.2Low119 Ų119120 Ų12052%0.52259%0.587SS.*SBendtrans-86.280.5168.4-62.7-79.5000108.4F72 S73 S74F72-F76 HydrophobicContact CD1-CE2 4.43Å; F72-F76 HydrophobicContact CE1-CE2 4.3Å; S73-F76 PolarHBondContact O-N 3.28Å; S74-F76 VanDerWaalsContact C-N 3.32Å
77N64.6Low61Low103 Ų103125 Ų12555%0.55160%0.598SS**  trans-71.1150.9170.7-112.3-42.3000109.5L75 E79 D80L75-N77 VanDerWaalsContact C-N 3.34Å; L75-N77 PolarHBondContact O-N 2.81Å; N77-E79 PolarHBondContact O-N 3.17Å; N77-D80 WeakPolarHBondContact O-CB 3.34Å; N77-D80 PolarHBondContact O-N 3.17Å
78K62.4Low60.6Low160 Ų160122.5 Ų122.570%0.69660%0.597SS**Hα-helixtrans-53.8-17.3175.9-85.4176.7168.5178.60114.5H82K78-H82 PolarHBondContact O-CD2 3.34Å; K78-H82 VanDerWaalsContact O-CD2 3.22Å
79E60.8Low60.2Low157 Ų157128.2 Ų128.273%0.73462%0.619SS**Hα-helixtrans-75.5-29.3174.1-164.3173.2-146.700112.7N77N77-E79 PolarHBondContact O-N 3.17Å
80D65.7Low59.1Low53 Ų53123.5 Ų123.528%0.28362%0.617SS.*Hα-helixtrans-80.7-23.7177.2-167.856.6000112.2N77 H82 Q83 L84N77-D80 WeakPolarHBondContact O-CB 3.34Å; N77-D80 PolarHBondContact O-N 3.17Å; D80-H82 VanDerWaalsContact C-N 3.29Å; D80-H82 PolarHBondContact O-N 3.46Å; D80-Q83 PolarHBondContact O-N 2.92Å; D80-L84 PolarHBondContact O-N 3.07Å
81E63.5Low58.2Low106 Ų106123.6 Ų123.650%0.49562%0.624SS.*Hα-helixtrans-61.3-38.6173.3-66.4-173171.800111.6L85E81-L85 VanDerWaalsContact O-CB 3.26Å; E81-L85 WeakPolarHBondContact O-CB 3.48Å; E81-L85 WeakPolarHBondContact O-CD1 3.42Å; E81-L85 WeakPolarHBondContact O-CG 3.42Å; E81-L85 PolarHBondContact O-N 2.94Å; E81-L85 VanDerWaalsContact O-N 3.08Å
82H57Low57.7Low113 Ų113119.2 Ų119.252%0.52362%0.622SS.*Hα-helixtrans-72.6-34.3-179.9-69.7-71.4000112K78 D80 E86K78-H82 PolarHBondContact O-CD2 3.34Å; K78-H82 VanDerWaalsContact O-CD2 3.22Å; D80-H82 VanDerWaalsContact C-N 3.29Å; D80-H82 PolarHBondContact O-N 3.46Å; H82-E86 WeakPolarHBondContact O-CB 3.38Å; H82-E86 WeakPolarHBondContact O-CG 3.41Å; H82-E86 PolarHBondContact O-N 3.4Å
83Q59.1Low56.6Low127 Ų127119.6 Ų119.659%0.59364%0.635SS**Hα-helixtrans-73.6-38.8176.9-67.1-177.1-11.300112.2D80 E87D80-Q83 PolarHBondContact O-N 2.92Å; Q83-E87 WeakPolarHBondContact O-CB 3.49Å; Q83-E87 PolarHBondContact O-N 3.48Å; Q83-E87 VanDerWaalsContact O-N 3.1Å
84L58.6Low55.4Low109 Ų109120.2 Ų120.257%0.57165%0.645SS**Hα-helixtrans-69.1-33.3176.5-125.898.2000112.9D80 T88D80-L84 PolarHBondContact O-N 3.07Å; L84-T88 PolarHBondContact O-OG1 3.15Å
85L55.2Low54.8Low113 Ų113123 Ų12359%0.59265%0.654SS**Hα-helixtrans-81.7-40.9178.4-68.4170.5000112.1E81 T88 E89E81-L85 VanDerWaalsContact O-CB 3.26Å; E81-L85 WeakPolarHBondContact O-CB 3.48Å; E81-L85 WeakPolarHBondContact O-CD1 3.42Å; E81-L85 WeakPolarHBondContact O-CG 3.42Å; E81-L85 PolarHBondContact O-N 2.94Å; E81-L85 VanDerWaalsContact O-N 3.08Å; L85-T88 CarbonylContact O-C 3.46Å; L85-T88 WeakPolarHBondContact O-CA 3.36Å; L85-T88 PolarHBondContact O-N 2.79Å; L85-T88 VanDerWaalsContact O-N 3.07Å; L85-E89 PolarHBondContact O-N 3.34Å
86E49.7Very low53.9Low128 Ų128125.5 Ų125.560%0.59866%0.662SS**Hα-helixtrans-68.2-31.8177.3-73.6169.6-175.700112.2H82 T88 E89H82-E86 WeakPolarHBondContact O-CB 3.38Å; H82-E86 WeakPolarHBondContact O-CG 3.41Å; H82-E86 PolarHBondContact O-N 3.4Å; E86-T88 PolarHBondContact O-N 3.44Å; E86-E89 CarbonylContact O-C 3.51Å; E86-E89 PolarHBondContact O-N 3.32Å; E86-E89 VanDerWaalsContact O-O 3.08Å
87E52.8Low53.1Low179 Ų179126 Ų12684%0.83668%0.675SS**THydrogen-bonded Turntrans-71.5-13.6173-146.1174.8-157.300112.4Q83Q83-E87 WeakPolarHBondContact O-CB 3.49Å; Q83-E87 PolarHBondContact O-N 3.48Å; Q83-E87 VanDerWaalsContact O-N 3.1Å
88T50Low51.8Low118 Ų118126.7 Ų126.772%0.72469%0.687SS**THydrogen-bonded Turntrans-98.2-19.3173.7-49.40000112.9L84 L85 E86L84-T88 PolarHBondContact O-OG1 3.15Å; L85-T88 CarbonylContact O-C 3.46Å; L85-T88 WeakPolarHBondContact O-CA 3.36Å; L85-T88 PolarHBondContact O-N 2.79Å; L85-T88 VanDerWaalsContact O-N 3.07Å; E86-T88 PolarHBondContact O-N 3.44Å
89E53.7Low51.4Low163 Ų163124.6 Ų124.676%0.76269%0.69SS**SBendtrans-104.687171.3-97.7-179.1171.300110.2L85 E86L85-E89 PolarHBondContact O-N 3.34Å; E86-E89 CarbonylContact O-C 3.51Å; E86-E89 PolarHBondContact O-N 3.32Å; E86-E89 VanDerWaalsContact O-O 3.08Å
90C41.4Very low50.9Low112 Ų112125.5 Ų125.576%0.75770%0.699SS**PPolyproline II helixtrans-46.6141.3168.5-62.10000112
91P43.8Very low49.9Very low120 Ų120127.7 Ų127.778%0.77973%0.725SS**PPolyproline II helixtrans-62.1144.2175.426.2-33.6000111
92P53.8Low48.9Very low115 Ų115127.2 Ų127.275%0.74774%0.739SS**PPolyproline II helixtrans-78.7162.2-17934-32.9000110.4
93V40.9Very low48Very low140 Ų140130.9 Ų130.985%0.84875%0.753SS**  trans95.295.5172.2-167.40000113.8
94A37.8Very low47.7Very low94 Ų94131.4 Ų131.478%0.77777%0.768SS**  -168.2142.588.600000109.9
95D49.4Very low47.1Very low135 Ų135134.8 Ų134.872%0.72278%0.781SS**  trans-47.7157.5-180-69.6-61.7000115
96H46.7Very low46.7Very low172 Ų172136.8 Ų136.880%0.79679%0.787SS**  trans105.7104.9153.8-49.2-64.6000117.4
97V49.5Very low47.1Very low129 Ų129135.4 Ų135.478%0.78279%0.789SS**  trans77103.7150.2-159.10000118.1
98S36.4Very low47.2Very low117 Ų117132.8 Ų132.882%0.81879%0.787SS**  -167.2125.4119.9-840000112.1
99P53.4Low47.3Very low117 Ų117137.1 Ų137.176%0.7679%0.791SS**  trans-79141.7-172.132.9-33000111.9
100L49.9Very low46.9Very low176 Ų176134.3 Ų134.392%0.92179%0.787SS**SBendtrans-40.2131.9165.7-165.766.5000112.1
101A45.6Very low47.3Very low99 Ų99135.9 Ų135.982%0.81879%0.793SS**  trans88.477.2168.500000119.3
102A42.6Very low48Very low96 Ų96141 Ų14179%0.79380%0.796SS**SBendtrans-158.3116.7142.100000111.5
103K38.7Very low48.5Very low189 Ų189146.8 Ų146.882%0.82280%0.803SS**  trans58.3119.7158.8-124.5163.5176.5165.70118.4E105K103-E105 VanDerWaalsContact C-N 3.31Å; K103-E105 PolarHBondContact O-N 3.22Å
104P51.6Low49.8Very low139 Ų139143.4 Ų143.490%0.90379%0.786SS**  trans-699216629.3-31.6000108.9
105E46.4Very low51.8Low179 Ų179140.7 Ų140.784%0.83677%0.768SS**PPolyproline II helixtrans-86.9119.9166.2-171.2161.1157.500108.6K103 P107K103-E105 VanDerWaalsContact C-N 3.31Å; K103-E105 PolarHBondContact O-N 3.22Å; E105-P107 WeakPolarHBondContact O-CD 3.14Å
106E47.5Very low53.5Low156 Ų156142.5 Ų142.573%0.72977%0.769SS**PPolyproline II helixtrans-60.1116.6-173.7179.9171.5-168.500112.2
107P58.5Low55.6Low99 Ų99143.5 Ų143.564%0.64377%0.766SS**PPolyproline II helixtrans-71126.6160.427.3-29000107.6E105 R109E105-P107 WeakPolarHBondContact O-CD 3.14Å; P107-R109 PolarHBondContact O-N 3.1Å
108P54.2Low57.3Low123 Ų123141 Ų14180%0.79975%0.748SS**  trans-62.5100-178.424.9-32.8000108.6
109R51.2Low59.7Low210 Ų210138.3 Ų138.379%0.79273%0.73SS**  trans-63.9131.5176.1-72.6-176-70.6162.9-0.1107.3P107 T111P107-R109 PolarHBondContact O-N 3.1Å; R109-T111 PolarHBondContact O-N 3.08Å
110P46.3Very low61.5Low104 Ų104138.6 Ų138.668%0.67572%0.719SS**  trans-53.1142.8-178.321.7-33000109.9R112P110-R112 PolarHBondContact O-N 2.83Å
111T50Low63.3Low144 Ų144132.6 Ų132.688%0.88370%0.695SS**  trans-61.251.5-173.953.40000114.2R109 R113R109-T111 PolarHBondContact O-N 3.08Å; T111-R113 PolarHBondContact O-N 3.2Å
112R58.9Low65.2Low228 Ų228131.2 Ų131.286%0.8668%0.676SS**  trans-63.5103.7168.6-68.1-157.2177.6179.62.3106.1P110 S114P110-R112 PolarHBondContact O-N 2.83Å; R112-S114 PolarHBondContact O-N 2.91Å; R112-S114 VanDerWaalsContact O-N 3.14Å
113R62.4Low67.3Low236 Ų236132 Ų13289%0.89167%0.667SS**  trans-36.6123.3169.4-80.5-176.8148.9106.6-1.3107.8T111 G115T111-R113 PolarHBondContact O-N 3.2Å; R113-G115 PolarHBondContact O-N 3.22Å
114S68.4Low69.5Low69 Ų69128.6 Ų128.648%0.48365%0.653SS.*  trans-35.4104.7172.2179.70000108.9R112 D118R112-S114 PolarHBondContact O-N 2.91Å; R112-S114 VanDerWaalsContact O-N 3.14Å; S114-D118 WeakPolarHBondContact CA-OD2 3.34Å; S114-D118 WeakPolarHBondContact CB-OD2 3.47Å; S114-D118 WeakPolarHBondContact OG-CB 3.26Å; S114-D118 PolarHBondContact OG-OD2 2.94Å
115G79.5Confident71Confident38 Ų38124.6 Ų124.639%0.39263%0.631SS.*  trans-71.1167.7-177.500000109.7R113 W117 D118 S119R113-G115 PolarHBondContact O-N 3.22Å; G115-W117 PolarHBondContact O-N 2.78Å; G115-W117 VanDerWaalsContact O-N 3.07Å; G115-D118 WeakPolarHBondContact O-CB 3.38Å; G115-D118 PolarHBondContact O-N 2.82Å; G115-S119 PolarHBondContact O-N 3.02Å
116F85.3Confident72.8Confident172 Ų172118.5 Ų118.575%0.75461%0.612SS**Hα-helixtrans-48.1-39.8173.8172.3-101.4000113
117W92.2Very high74.6Confident193 Ų193117.8 Ų117.873%0.73161%0.606SS**Hα-helixtrans-73.2-23.5177.8-70103.4000114.6G115 F120 A121G115-W117 PolarHBondContact O-N 2.78Å; G115-W117 VanDerWaalsContact O-N 3.07Å; W117-F120 PolarHBondContact O-N 2.69Å; W117-A121 WeakPolarHBondContact O-CB 3.19Å; W117-A121 PolarHBondContact O-N 3.32Å
118D84.4Confident75.7Confident77 Ų77118 Ų11841%0.41260%0.597SS.*Hα-helixtrans-75.1-38.7179.7-173.152.6000111.1S114 G115 F120 A121 T122S114-D118 WeakPolarHBondContact CA-OD2 3.34Å; S114-D118 WeakPolarHBondContact CB-OD2 3.47Å; S114-D118 WeakPolarHBondContact OG-CB 3.26Å; S114-D118 PolarHBondContact OG-OD2 2.94Å; G115-D118 WeakPolarHBondContact O-CB 3.38Å; G115-D118 PolarHBondContact O-N 2.82Å; D118-F120 VanDerWaalsContact C-N 3.28Å; D118-F120 PolarHBondContact O-N 3.1Å; D118-A121 PolarHBondContact O-N 2.91Å; D118-T122 WeakPolarHBondContact O-CB 3.5Å; D118-T122 VanDerWaalsContact O-CG2 3.27Å; D118-T122 WeakPolarHBondContact O-CG2 3.08Å; D118-T122 PolarHBondContact O-N 3.49Å; D118-T122 PolarHBondContact O-OG1 3.31Å
119S86.9Confident76.7Confident61 Ų61119 Ų11943%0.42759%0.591SS.*Hα-helixtrans-62-34.8170.9-700000112.9G115 T122 N123G115-S119 PolarHBondContact O-N 3.02Å; S119-T122 WeakPolarHBondContact CA-OG1 3.11Å; S119-T122 PolarHBondContact O-OG1 3.19Å; S119-N123 WeakPolarHBondContact O-CB 3.07Å; S119-N123 PolarHBondContact O-N 2.99Å; S119-N123 PolarHBondContact O-ND2 3.07Å
120F91.4Very high77.9Confident123 Ų123112 Ų11254%0.53958%0.577SS.*Hα-helixtrans-71.2-47.7172.8176.6-93.8000111.7W117 D118 T122 N123 F124W117-F120 PolarHBondContact O-N 2.69Å; D118-F120 VanDerWaalsContact C-N 3.28Å; D118-F120 PolarHBondContact O-N 3.1Å; F120-T122 VanDerWaalsContact C-N 3.3Å; F120-T122 PolarHBondContact O-N 2.98Å; F120-N123 PolarHBondContact O-N 3.02Å; F120-F124 HydrophobicContact CE1-CB 4.19Å; F120-F124 HydrophobicContact CE1-CG 4.43Å; F120-F124 HydrophobicContact CZ-CB 4.38Å; F120-F124 HydrophobicContact CZ-CD2 4.27Å; F120-F124 VanDerWaalsContact O-CB 3.23Å; F120-F124 WeakPolarHBondContact O-CB 3.21Å; F120-F124 PolarHBondContact O-N 3.02Å
121A87.3Confident79.1Confident49 Ų49111.5 Ų111.541%0.40557%0.566SS.*Hα-helixtrans-59.8-42-179.200000111.7W117 D118 F124 A125W117-A121 WeakPolarHBondContact O-CB 3.19Å; W117-A121 PolarHBondContact O-N 3.32Å; D118-A121 PolarHBondContact O-N 2.91Å; A121-F124 PolarHBondContact O-N 3.35Å; A121-A125 VanDerWaalsContact O-CB 3.23Å; A121-A125 WeakPolarHBondContact O-CB 3.25Å; A121-A125 PolarHBondContact O-N 2.85Å
122T85.7Confident80Confident71 Ų71107.4 Ų107.444%0.43655%0.547SS..Hα-helixtrans-64.3-47.7175.5500000112.2D118 S119 F120 F124 A125 A126D118-T122 WeakPolarHBondContact O-CB 3.5Å; D118-T122 VanDerWaalsContact O-CG2 3.27Å; D118-T122 WeakPolarHBondContact O-CG2 3.08Å; D118-T122 PolarHBondContact O-N 3.49Å; D118-T122 PolarHBondContact O-OG1 3.31Å; S119-T122 WeakPolarHBondContact CA-OG1 3.11Å; S119-T122 PolarHBondContact O-OG1 3.19Å; F120-T122 VanDerWaalsContact C-N 3.3Å; F120-T122 PolarHBondContact O-N 2.98Å; T122-F124 PolarHBondContact O-N 3.42Å; T122-A125 PolarHBondContact O-N 3.09Å; T122-A126 WeakPolarHBondContact O-CB 3.18Å; T122-A126 PolarHBondContact O-N 3.38Å
123N87.6Confident80.5Confident112 Ų11299.3 Ų99.360%0.59953%0.529SS*.Hα-helixtrans-65-37.3175.8-86.5-80.3000112.8S119 F120 K127S119-N123 WeakPolarHBondContact O-CB 3.07Å; S119-N123 PolarHBondContact O-N 2.99Å; S119-N123 PolarHBondContact O-ND2 3.07Å; F120-N123 PolarHBondContact O-N 3.02Å; N123-K127 WeakPolarHBondContact O-CB 3.19Å; N123-K127 PolarHBondContact O-N 3.02Å
124F84.3Confident80.7Confident118 Ų11891 Ų9152%0.51851%0.511SS..Hα-helixtrans-67.4-46.3177.5-178.6-97.7000111.2F120 A121 T122 K127 K128F120-F124 HydrophobicContact CE1-CB 4.19Å; F120-F124 HydrophobicContact CE1-CG 4.43Å; F120-F124 HydrophobicContact CZ-CB 4.38Å; F120-F124 HydrophobicContact CZ-CD2 4.27Å; F120-F124 VanDerWaalsContact O-CB 3.23Å; F120-F124 WeakPolarHBondContact O-CB 3.21Å; F120-F124 PolarHBondContact O-N 3.02Å; A121-F124 PolarHBondContact O-N 3.35Å; T122-F124 PolarHBondContact O-N 3.42Å; F124-K127 PolarHBondContact O-N 3.1Å; F124-K128 HydrophobicContact CE1-CG 4.42Å; F124-K128 WeakPolarHBondContact O-CB 3.29Å; F124-K128 PolarHBondContact O-N 2.82Å
125A83.4Confident80.6Confident54 Ų5490.5 Ų90.545%0.44651%0.511SS..Hα-helixtrans-63.5-44.7175.100000111.3A121 T122 K127 K128 Q129A121-A125 VanDerWaalsContact O-CB 3.23Å; A121-A125 WeakPolarHBondContact O-CB 3.25Å; A121-A125 PolarHBondContact O-N 2.85Å; T122-A125 PolarHBondContact O-N 3.09Å; A125-K127 PolarHBondContact O-N 3.47Å; A125-K128 PolarHBondContact O-N 3.48Å; A125-Q129 WeakPolarHBondContact O-CB 3.27Å; A125-Q129 PolarHBondContact O-N 3.49Å
126A83.3Confident79.7Confident52 Ų5291.5 Ų91.543%0.4352%0.515SS..Hα-helixtrans-60.5-44.6175.500000111.7T122 K128 Q129 A130T122-A126 WeakPolarHBondContact O-CB 3.18Å; T122-A126 PolarHBondContact O-N 3.38Å; A126-K128 PolarHBondContact O-N 2.85Å; A126-Q129 PolarHBondContact O-N 2.81Å; A126-A130 VanDerWaalsContact O-CB 3.3Å; A126-A130 WeakPolarHBondContact O-CB 3.41Å; A126-A130 PolarHBondContact O-N 3.46Å
127K84.6Confident78.5Confident140 Ų14086.2 Ų86.261%0.60950%0.503SS*.Hα-helixtrans-62.5-41.2174176.4175.41531630111.6N123 F124 A125 A130 E131N123-K127 WeakPolarHBondContact O-CB 3.19Å; N123-K127 PolarHBondContact O-N 3.02Å; F124-K127 PolarHBondContact O-N 3.1Å; A125-K127 PolarHBondContact O-N 3.47Å; K127-A130 PolarHBondContact O-N 2.81Å; K127-E131 VanDerWaalsContact O-CB 3.27Å; K127-E131 WeakPolarHBondContact O-CB 3.23Å; K127-E131 PolarHBondContact O-N 2.79Å
128K82Confident76.8Confident103 Ų10379.8 Ų79.845%0.44849%0.492SS..Hα-helixtrans-65.9-38.8176.7-109.9-68.3171.5-156.50112.2F124 A125 A126 E131 A132F124-K128 HydrophobicContact CE1-CG 4.42Å; F124-K128 WeakPolarHBondContact O-CB 3.29Å; F124-K128 PolarHBondContact O-N 2.82Å; A125-K128 PolarHBondContact O-N 3.48Å; A126-K128 PolarHBondContact O-N 2.85Å; K128-E131 IonicContact NZ-OE1 2.78Å; K128-E131 PolarHBondContact NZ-OE1 3.48Å; K128-E131 PolarHBondContact O-N 3.24Å; K128-A132 VanDerWaalsContact O-CB 3.29Å; K128-A132 WeakPolarHBondContact O-CB 3.42Å; K128-A132 PolarHBondContact O-N 2.94Å
129Q75.3Confident75.5Confident146 Ų14679.2 Ų79.268%0.68250%0.497SS*.Hα-helixtrans-72.3-37.9178-166.6176.5600111.2A125 A126 A132 A133A125-Q129 WeakPolarHBondContact O-CB 3.27Å; A125-Q129 PolarHBondContact O-N 3.49Å; A126-Q129 PolarHBondContact O-N 2.81Å; Q129-A132 PolarHBondContact O-N 3Å; Q129-A133 VanDerWaalsContact O-CB 3.22Å; Q129-A133 WeakPolarHBondContact O-CB 3.28Å; Q129-A133 PolarHBondContact O-N 2.85Å
130A76.1Confident74Confident61 Ų6179.3 Ų79.350%0.50450%0.502SS..Hα-helixtrans-65.7-39.4171.900000111.9A126 K127 A133 A134A126-A130 VanDerWaalsContact O-CB 3.3Å; A126-A130 WeakPolarHBondContact O-CB 3.41Å; A126-A130 PolarHBondContact O-N 3.46Å; K127-A130 PolarHBondContact O-N 2.81Å; A130-A133 PolarHBondContact O-N 3.41Å; A130-A134 WeakPolarHBondContact O-CB 3.37Å; A130-A134 PolarHBondContact O-N 3.49Å
131E71.9Confident72Confident94 Ų9479.7 Ų79.744%0.43951%0.51SS..Hα-helixtrans-67.1-40.3173.7-175.4-174.4116.100111.7K127 K128 A134 A135K127-E131 VanDerWaalsContact O-CB 3.27Å; K127-E131 WeakPolarHBondContact O-CB 3.23Å; K127-E131 PolarHBondContact O-N 2.79Å; K128-E131 IonicContact NZ-OE1 2.78Å; K128-E131 PolarHBondContact NZ-OE1 3.48Å; K128-E131 PolarHBondContact O-N 3.24Å; E131-A134 PolarHBondContact O-N 2.84Å; E131-A135 WeakPolarHBondContact O-CB 3.21Å; E131-A135 PolarHBondContact O-N 3.18Å
132A70.1Confident69.7Low58 Ų5885.8 Ų85.848%0.47953%0.53SS..Hα-helixtrans-68.6-37.4174.500000112.2K128 Q129 A136K128-A132 VanDerWaalsContact O-CB 3.29Å; K128-A132 WeakPolarHBondContact O-CB 3.42Å; K128-A132 PolarHBondContact O-N 2.94Å; Q129-A132 PolarHBondContact O-N 3Å; A132-A136 WeakPolarHBondContact O-CB 3.29Å; A132-A136 PolarHBondContact O-N 3.41Å
133A68.3Low67.5Low59 Ų5985.4 Ų85.449%0.48854%0.54SS..Hα-helixtrans-70.9-36.6174.100000111.7Q129 A130 A136 A137Q129-A133 VanDerWaalsContact O-CB 3.22Å; Q129-A133 WeakPolarHBondContact O-CB 3.28Å; Q129-A133 PolarHBondContact O-N 2.85Å; A130-A133 PolarHBondContact O-N 3.41Å; A133-A136 PolarHBondContact O-N 3Å; A133-A137 WeakPolarHBondContact O-CB 3.4Å; A133-A137 PolarHBondContact O-N 3.11Å
134A67.2Low65.1Low62 Ų6285.2 Ų85.251%0.51254%0.543SS..Hα-helixtrans-69.8-37.8173.100000111.8A130 E131 A137 A138A130-A134 WeakPolarHBondContact O-CB 3.37Å; A130-A134 PolarHBondContact O-N 3.49Å; E131-A134 PolarHBondContact O-N 2.84Å; A134-A137 PolarHBondContact O-N 3.49Å; A134-A138 WeakPolarHBondContact O-CB 3.38Å; A134-A138 PolarHBondContact O-N 2.96Å
135A65.3Low62.7Low58 Ų5884.3 Ų84.348%0.47956%0.557SS.*Hα-helixtrans-69-37.2172.800000111.8E131 A138 A139E131-A135 WeakPolarHBondContact O-CB 3.21Å; E131-A135 PolarHBondContact O-N 3.18Å; A135-A138 PolarHBondContact O-N 2.99Å; A135-A139 VanDerWaalsContact O-CB 3.25Å; A135-A139 WeakPolarHBondContact O-CB 3.22Å; A135-A139 PolarHBondContact O-N 2.74Å
136A62Low60.3Low59 Ų5990.8 Ų90.849%0.48858%0.578SS.*Hα-helixtrans-70.4-37.2173.600000112A132 A133 A139 A140A132-A136 WeakPolarHBondContact O-CB 3.29Å; A132-A136 PolarHBondContact O-N 3.41Å; A133-A136 PolarHBondContact O-N 3Å; A136-A139 PolarHBondContact O-N 2.74Å; A136-A140 VanDerWaalsContact O-CB 3.22Å; A136-A140 WeakPolarHBondContact O-CB 3.33Å; A136-A140 PolarHBondContact O-N 3.11Å
137A58.8Low58Low60 Ų6093.5 Ų93.550%0.49659%0.594SS.*Hα-helixtrans-69.9-36.2173.100000111.8A133 A134 A140 N141A133-A137 WeakPolarHBondContact O-CB 3.4Å; A133-A137 PolarHBondContact O-N 3.11Å; A134-A137 PolarHBondContact O-N 3.49Å; A137-A140 PolarHBondContact O-N 3.29Å; A137-N141 WeakPolarHBondContact O-CB 3.19Å; A137-N141 PolarHBondContact O-N 2.95Å
138A56.9Low55.5Low59 Ų5990.2 Ų90.249%0.48860%0.6SS.*Hα-helixtrans-66.8-42.917200000111.5A134 A135 N141 E142A134-A138 WeakPolarHBondContact O-CB 3.38Å; A134-A138 PolarHBondContact O-N 2.96Å; A135-A138 PolarHBondContact O-N 2.99Å; A138-N141 PolarHBondContact O-N 2.82Å; A138-E142 PolarHBondContact O-N 3.28Å
139A56.5Low53.1Low64 Ų6494 Ų9453%0.52962%0.619SS.*Hα-helixtrans-68-31.8174.800000113A135 A136A135-A139 VanDerWaalsContact O-CB 3.25Å; A135-A139 WeakPolarHBondContact O-CB 3.22Å; A135-A139 PolarHBondContact O-N 2.74Å; A136-A139 PolarHBondContact O-N 2.74Å
140A55.3Low51Low64 Ų6495.7 Ų95.753%0.52963%0.627SS.*Hα-helixtrans-73.7-28.2172.800000112.6A136 A137A136-A140 VanDerWaalsContact O-CB 3.22Å; A136-A140 WeakPolarHBondContact O-CB 3.33Å; A136-A140 PolarHBondContact O-N 3.11Å; A137-A140 PolarHBondContact O-N 3.29Å
141N50.1Low48.7Very low131 Ų13196.6 Ų96.670%0.70164%0.642SS**Hα-helixtrans-79.3-28.5175.6-157.1-6.1000112.2A137 A138 G143A137-N141 WeakPolarHBondContact O-CB 3.19Å; A137-N141 PolarHBondContact O-N 2.95Å; A138-N141 PolarHBondContact O-N 2.82Å; N141-G143 PolarHBondContact O-N 3Å
142E38.8Very low46.9Very low176 Ų17696.3 Ų96.382%0.82266%0.656SS**THydrogen-bonded Turntrans-73.4-10.9171.5-112.7-179.6167.500113.7A138A138-E142 PolarHBondContact O-N 3.28Å
143G39.1Very low44.9Very low64 Ų6499.7 Ų99.766%0.6667%0.671SS**THydrogen-bonded Turntrans-96.15.8179.100000116.2N141N141-G143 PolarHBondContact O-N 3Å
144V37.7Very low43.3Very low107 Ų107105.2 Ų105.265%0.64869%0.686SS**  trans-118.912.3-175.2-177.30000113.1E146V144-E146 PolarHBondContact O-N 2.96Å; V144-E146 VanDerWaalsContact O-N 3.09Å
145A33.7Very low41.6Very low100 Ų100106.6 Ų106.683%0.82670%0.698SS**SBendtrans-7922.6173.700000114.7
146E34.4Very low39.9Very low189 Ų189108.7 Ų108.788%0.88372%0.715SS**SBendtrans-155.179.8164.7-166.7-178.317800110.9V144V144-E146 PolarHBondContact O-N 2.96Å; V144-E146 VanDerWaalsContact O-N 3.09Å
147S35Very low38.4Very low110 Ų110109 Ų10977%0.76972%0.724SS**  trans-168.2100.7145.5-170.10000108.3
148G32.2Very low37.3Very low70 Ų70114 Ų11472%0.72274%0.737SS**  trans-73.1150.9175.700000113.2
149E31.5Very low36.1Very low183 Ų183118.1 Ų118.186%0.85575%0.747SS**  trans84.4138.2141.2-137.4177.1159.100121
150E30.6Very low35.2Very low182 Ų182122.4 Ų122.485%0.8576%0.756SS**  trans89123.1162.2-57.7-159.5148.300120.3
151G27.7Very low34.1Very low80 Ų80127.3 Ų127.383%0.82577%0.768SS**  trans141.557.1151.700000117.4
152A34.7Very low33.1Very low88 Ų88128 Ų12873%0.72778%0.776SS**  trans-78.2154.5165.700000112.3
153T28Very low32.6Very low129 Ų129122.9 Ų122.979%0.79177%0.771SS**  trans79.2139.3167.775.40000115.5
154Q34.8Very low32.3Very low174 Ų174128.2 Ų128.281%0.81378%0.783SS**  cis-168147.430.8-134.5174.450.700108.8
155A31.2Very low32.5Very low91 Ų91127.3 Ų127.375%0.75279%0.787SS**  60.7146.411700000117.6
156A29.3Very low32.5Very low102 Ų102131.5 Ų131.584%0.84379%0.79SS**  cis-175.1166.1-0.800000106.8
157G31.3Very low32.6Very low66 Ų66131.4 Ų131.468%0.6879%0.789SS**  trans136.678.2168.200000111.9
158E34.3Very low32.7Very low165 Ų165132.3 Ų132.377%0.77179%0.79SS**  62.4100.186.6-68.8-178.915400112
159E33.1Very low33.2Very low146 Ų146137.8 Ų137.868%0.68280%0.797SS**  88.9141.5101.781.2-173.1142.500111
160Q35.7Very low33.5Very low153 Ų153133.2 Ų133.272%0.71579%0.791SS**  cis-174.3150.730-145154.534.900103.9
161Q34.1Very low34.3Very low168 Ų168128.1 Ų128.179%0.78579%0.786SS**  166.1114.971-169.516942.700106.5
162V28.1Very low35Very low144 Ų144129.7 Ų129.787%0.87379%0.785SS**  58.6125.3102.9-1740000117
163G28Very low35.9Very low69 Ų69130.5 Ų130.571%0.71179%0.785SS**  trans156.378.4157.300000112.4
164L32.6Very low36.9Very low177 Ų177127.8 Ų127.893%0.92777%0.771SS**  98.4123.988.5-168.471.9000111.3
165A41.5Very low38.1Very low88 Ų88126.6 Ų126.673%0.72777%0.771SS**  trans-63.9144.2178.700000113
166E34.2Very low39Very low188 Ų188127.7 Ų127.788%0.87976%0.764SS**  trans-137.5117.9147.4-105.7-174.8143.900109T168E166-T168 PolarHBondContact O-N 2.79Å
167E37.6Very low40.6Very low186 Ų186126.9 Ų126.987%0.86975%0.752SS**  trans-61.5124.2161.1-73.2179.1120.800108.9
168T36.2Very low41.6Very low129 Ų129130.8 Ų130.879%0.79175%0.751SS**  trans-127.292.1149.8350000108E166 A170E166-T168 PolarHBondContact O-N 2.79Å; T168-A170 VanDerWaalsContact C-N 3.31Å; T168-A170 PolarHBondContact O-N 2.79Å
169E42.7Very low42.7Very low186 Ų186126.8 Ų126.887%0.86974%0.741SS**  trans-47.398.5147.6-90-88.1150.700108.7
170A37.3Very low43.8Very low87 Ų87127.7 Ų127.772%0.71974%0.743SS**  trans-132.592.1161.300000106.7T168 S172T168-A170 VanDerWaalsContact C-N 3.31Å; T168-A170 PolarHBondContact O-N 2.79Å; A170-S172 PolarHBondContact O-N 3.45Å
171G48.1Very low44.4Very low74 Ų74128.4 Ų128.476%0.76374%0.74SS**  trans-45.1109.2179.300000112.4S173G171-S173 VanDerWaalsContact C-N 3.26Å; G171-S173 PolarHBondContact O-N 2.8Å
172S41.7Very low45.3Very low114 Ų114125.2 Ų125.280%0.79773%0.731SS**  trans-86.980.7157.9-141.80000107A170 S174A170-S172 PolarHBondContact O-N 3.45Å; S172-S174 PolarHBondContact O-N 3.46Å
173S54.8Low46.5Very low105 Ų105123.4 Ų123.473%0.73472%0.721SS**  trans-65.670.8160.5-173.40000108G171 N175G171-S173 VanDerWaalsContact C-N 3.26Å; G171-S173 PolarHBondContact O-N 2.8Å; S173-N175 PolarHBondContact O-N 2.83Å
174S48.6Very low47.5Very low71 Ų71127.1 Ų127.150%0.49772%0.724SS.*  trans-82.992.9170.6178.30000106.3S172 N176S172-S174 PolarHBondContact O-N 3.46Å; S174-N176 PolarHBondContact O-N 3.46Å; S174-N176 PolarHBondContact OG-ND2 2.86Å
175N59.4Low48.2Very low150 Ų150122.4 Ų122.480%0.80272%0.718SS**  trans-66.264.7165.1-76.8-17.3000109.9S173 S177S173-N175 PolarHBondContact O-N 2.83Å; N175-S177 PolarHBondContact O-N 3.32Å
176N51Low48.7Very low114 Ų114120.7 Ų120.761%0.6171%0.709SS**  trans-85.793.6168.2-90.1-16.6000108.4S174 F178 S179S174-N176 PolarHBondContact O-N 3.46Å; S174-N176 PolarHBondContact OG-ND2 2.86Å; N176-F178 PolarHBondContact O-N 2.81Å; N176-S179 PolarHBondContact O-N 2.82Å
177S63.2Low49.3Very low85 Ų85118.2 Ų118.259%0.59471%0.712SS**THydrogen-bonded Turntrans-56.20.8169.7-170.90000114.2N175N175-S177 PolarHBondContact O-N 3.32Å
178F52.2Low49.6Very low148 Ų148111 Ų11165%0.64969%0.688SS**THydrogen-bonded Turntrans-77.6-28.6179.3-169.4-104.3000113.4N176 K180 Y181 V182N176-F178 PolarHBondContact O-N 2.81Å; F178-K180 PolarHBondContact O-N 3.48Å; F178-K180 VanDerWaalsContact O-N 3.16Å; F178-Y181 PolarHBondContact O-N 2.82Å; F178-V182 HydrophobicContact CD1-CG2 4.28Å; F178-V182 HydrophobicContact CE1-CG2 3.89Å; F178-V182 HydrophobicContact CZ-CG2 4.48Å
179S56.2Low50.6Low81 Ų81113.4 Ų113.457%0.56669%0.69SS**Hα-helixtrans-66.1-19178.3-550000112.9N176 Y181 T183N176-S179 PolarHBondContact O-N 2.82Å; S179-Y181 VanDerWaalsContact C-N 3.3Å; S179-Y181 PolarHBondContact O-N 3.46Å; S179-T183 PolarHBondContact O-N 2.79Å; S179-T183 PolarHBondContact O-OG1 3.47Å
180K56.3Low51.2Low165 Ų165111.8 Ų111.872%0.71769%0.688SS**Hα-helixtrans-73.3-20.5179-132.3175.6-172.71770113.4F178F178-K180 PolarHBondContact O-N 3.48Å; F178-K180 VanDerWaalsContact O-N 3.16Å
181Y48.4Very low52Low168 Ų168112 Ų11266%0.65969%0.69SS**Hα-helixtrans-98.3-21.6180-64-80.2000113.4F178 S179F178-Y181 PolarHBondContact O-N 2.82Å; S179-Y181 VanDerWaalsContact C-N 3.3Å; S179-Y181 PolarHBondContact O-N 3.46Å
182V53.4Low52.8Low100 Ų100112.1 Ų112.161%0.60668%0.678SS**Hα-helixtrans-75.2-36.2172.2179.50000110.4F178 G185F178-V182 HydrophobicContact CD1-CG2 4.28Å; F178-V182 HydrophobicContact CE1-CG2 3.89Å; F178-V182 HydrophobicContact CZ-CG2 4.48Å; V182-G185 PolarHBondContact O-N 3.46Å
183T53.7Low54.3Low106 Ų106114 Ų11465%0.6567%0.673SS**G310 helixtrans-81.1-17.8177.2-52.50000113.4S179 G185 G186S179-T183 PolarHBondContact O-N 2.79Å; S179-T183 PolarHBondContact O-OG1 3.47Å; T183-G185 PolarHBondContact O-N 2.86Å; T183-G185 VanDerWaalsContact O-N 3.12Å; T183-G186 PolarHBondContact O-N 3.28Å
184L49Very low55.6Low148 Ų148115.2 Ų115.278%0.77567%0.665SS**G310 helixtrans-75.511170.7-148.674.5000113
185G47.5Very low57.1Low77 Ų77120.1 Ų120.179%0.79467%0.672SS**G310 helixtrans-93.70.9160.400000113.5V182 T183V182-G185 PolarHBondContact O-N 3.46Å; T183-G185 PolarHBondContact O-N 2.86Å; T183-G185 VanDerWaalsContact O-N 3.12Å
186G50.6Low58.3Low53 Ų53119.5 Ų119.555%0.54667%0.669SS.*SBendtrans-112.1125.1-179.600000112.1T183T183-G186 PolarHBondContact O-N 3.28Å
187S48.4Very low60.1Low135 Ų135119.3 Ų119.394%0.94466%0.663SS**SBendtrans83.664.1169.7-161.20000117.1
188G43.6Very low61.1Low36 Ų36118.7 Ų118.737%0.37166%0.656SS.*  trans-154.892.715100000107.1D190 A191G188-D190 PolarHBondContact O-N 3.2Å; G188-A191 PolarHBondContact O-N 3.38Å
189E56.9Low62.7Low179 Ų179115.5 Ų115.584%0.83665%0.648SS**THydrogen-bonded Turntrans-55.3-17174.149.2-177150.800112.3
190D55.1Low64Low152 Ų152114.9 Ų114.981%0.81364%0.644SS**THydrogen-bonded Turntrans-102.3-6174.9-58.1-59.6000115.7G188G188-D190 PolarHBondContact O-N 3.2Å
191A53.9Low65.4Low92 Ų92111.2 Ų111.276%0.7663%0.628SS**THydrogen-bonded Turntrans-110.64.4-174.300000114.2G188G188-A191 PolarHBondContact O-N 3.38Å
192S65.3Low67.1Low75 Ų75108.2 Ų108.252%0.52462%0.623SS.*SBendtrans-89.7125.2173.254.80000109.6K194S192-K194 WeakPolarHBondContact O-CG 3.17Å; S192-K194 PolarHBondContact O-N 2.9Å
193F73.4Confident68.6Low154 Ų154106 Ų10668%0.67562%0.615SS**  trans-56.9111177.6-166.6-93.3000109.3W195F193-W195 VanDerWaalsContact C-N 3.26Å; F193-W195 AromaticContact CD1-CD1 3.76Å; F193-W195 HydrophobicContact CD1-CD2 4.28Å; F193-W195 AromaticContact CD1-CE2 3.94Å; F193-W195 HydrophobicContact CD1-CG 4.18Å; F193-W195 AromaticContact CD1-NE1 3.6Å; F193-W195 HydrophobicContact CE1-CD2 4.33Å; F193-W195 HydrophobicContact CE1-CZ2 4.33Å; F193-W195 PolarHBondContact O-N 3.28Å
194K80.6Confident69.8Low130 Ų130105.6 Ų105.657%0.56561%0.606SS**  trans-76.973.2-169.7-61.217467.9169.20110.5S192 N196 F197 V198S192-K194 WeakPolarHBondContact O-CG 3.17Å; S192-K194 PolarHBondContact O-N 2.9Å; K194-N196 PolarHBondContact O-N 2.96Å; K194-N196 VanDerWaalsContact O-N 3.17Å; K194-F197 HydrophobicContact CB-CB 3.71Å; K194-F197 WeakPolarHBondContact O-CA 3.3Å; K194-F197 WeakPolarHBondContact O-CB 3.37Å; K194-F197 PolarHBondContact O-N 3.46Å; K194-V198 PolarHBondContact O-N 3.34Å
195W81.4Confident71.2Confident175 Ų175104.3 Ų104.366%0.66360%0.599SS**Hα-helixtrans-51.7-37.6173.2-83.7101.7000112.1F193 F197 V198 T199F193-W195 VanDerWaalsContact C-N 3.26Å; F193-W195 AromaticContact CD1-CD1 3.76Å; F193-W195 HydrophobicContact CD1-CD2 4.28Å; F193-W195 AromaticContact CD1-CE2 3.94Å; F193-W195 HydrophobicContact CD1-CG 4.18Å; F193-W195 AromaticContact CD1-NE1 3.6Å; F193-W195 HydrophobicContact CE1-CD2 4.33Å; F193-W195 HydrophobicContact CE1-CZ2 4.33Å; F193-W195 PolarHBondContact O-N 3.28Å; W195-F197 VanDerWaalsContact C-N 3.27Å; W195-F197 PolarHBondContact O-N 2.6Å; W195-V198 PolarHBondContact O-N 2.93Å; W195-T199 WeakPolarHBondContact O-CG2 3.16Å; W195-T199 PolarHBondContact O-N 2.85Å; W195-T199 VanDerWaalsContact O-N 3.08Å; W195-T199 PolarHBondContact O-OG1 2.95Å
196N84.4Confident72.3Confident137 Ų137107.9 Ų107.973%0.73359%0.593SS**Hα-helixtrans-61.4-31.8174.7-66.4-54.3000113.6K194 T199 S200K194-N196 PolarHBondContact O-N 2.96Å; K194-N196 VanDerWaalsContact O-N 3.17Å; N196-T199 WeakPolarHBondContact CA-OG1 3.22Å; N196-T199 PolarHBondContact O-OG1 3.37Å; N196-T199 VanDerWaalsContact O-OG1 3.08Å; N196-S200 WeakPolarHBondContact O-CB 3.15Å; N196-S200 PolarHBondContact O-N 3.47Å
197F89.1Confident73.2Confident109 Ų109109.7 Ų109.748%0.47859%0.593SS.*Hα-helixtrans-73.6-43.7176.9177.4-97.1000111.3K194 W195 T199 S200 K201K194-F197 HydrophobicContact CB-CB 3.71Å; K194-F197 WeakPolarHBondContact O-CA 3.3Å; K194-F197 WeakPolarHBondContact O-CB 3.37Å; K194-F197 PolarHBondContact O-N 3.46Å; W195-F197 VanDerWaalsContact C-N 3.27Å; W195-F197 PolarHBondContact O-N 2.6Å; F197-T199 VanDerWaalsContact C-N 3.33Å; F197-T199 PolarHBondContact O-N 3.07Å; F197-S200 PolarHBondContact O-N 3.12Å; F197-K201 HydrophobicContact CD1-CG 4.05Å; F197-K201 HydrophobicContact CD2-CG 4.23Å; F197-K201 HydrophobicContact CE1-CD 4.49Å; F197-K201 HydrophobicContact CE1-CG 3.65Å; F197-K201 HydrophobicContact CE2-CD 4.36Å; F197-K201 HydrophobicContact CE2-CG 3.85Å; F197-K201 HydrophobicContact CG-CG 4.34Å; F197-K201 HydrophobicContact CZ-CD 4.02Å; F197-K201 VanDerWaalsContact CZ-CE 3.48Å; F197-K201 HydrophobicContact CZ-CG 3.55Å; F197-K201 VanDerWaalsContact O-CB 3.24Å; F197-K201 WeakPolarHBondContact O-CB 3.44Å; F197-K201 WeakPolarHBondContact O-CG 3.33Å; F197-K201 PolarHBondContact O-N 3.43Å
198V84.6Confident74.1Confident73 Ų73110.1 Ų110.144%0.44258%0.578SS.*Hα-helixtrans-62-42.3177.8175.70000111K194 W195 L202K194-V198 PolarHBondContact O-N 3.34Å; W195-V198 PolarHBondContact O-N 2.93Å; V198-L202 VanDerWaalsContact O-CB 3.3Å; V198-L202 WeakPolarHBondContact O-CB 3.39Å; V198-L202 PolarHBondContact O-N 3.22Å
199T85.1Confident74.8Confident80 Ų80110.6 Ų110.649%0.49158%0.583SS.*Hα-helixtrans-69.6-40.9177.957.40000112.2W195 N196 F197 L202 A203W195-T199 WeakPolarHBondContact O-CG2 3.16Å; W195-T199 PolarHBondContact O-N 2.85Å; W195-T199 VanDerWaalsContact O-N 3.08Å; W195-T199 PolarHBondContact O-OG1 2.95Å; N196-T199 WeakPolarHBondContact CA-OG1 3.22Å; N196-T199 PolarHBondContact O-OG1 3.37Å; N196-T199 VanDerWaalsContact O-OG1 3.08Å; F197-T199 VanDerWaalsContact C-N 3.33Å; F197-T199 PolarHBondContact O-N 3.07Å; T199-L202 PolarHBondContact O-N 2.78Å; T199-A203 PolarHBondContact O-N 2.61Å
200S84.3Confident74.9Confident68 Ų68109 Ų10948%0.47658%0.578SS.*Hα-helixtrans-65.7-43.7175.8-166.70000111.9N196 F197 L202 A203 E204N196-S200 WeakPolarHBondContact O-CB 3.15Å; N196-S200 PolarHBondContact O-N 3.47Å; F197-S200 PolarHBondContact O-N 3.12Å; S200-L202 VanDerWaalsContact C-N 3.34Å; S200-L202 PolarHBondContact O-N 3.39Å; S200-A203 WeakPolarHBondContact O-CB 3.46Å; S200-A203 PolarHBondContact O-N 2.86Å; S200-E204 PolarHBondContact O-N 2.83Å
201K84.9Confident75Confident88 Ų88106.8 Ų106.838%0.38357%0.569SS.*Hα-helixtrans-62.6-37.7174.3-81.7-73.8168.4-1480112.8F197 E204 L205F197-K201 HydrophobicContact CD1-CG 4.05Å; F197-K201 HydrophobicContact CD2-CG 4.23Å; F197-K201 HydrophobicContact CE1-CD 4.49Å; F197-K201 HydrophobicContact CE1-CG 3.65Å; F197-K201 HydrophobicContact CE2-CD 4.36Å; F197-K201 HydrophobicContact CE2-CG 3.85Å; F197-K201 HydrophobicContact CG-CG 4.34Å; F197-K201 HydrophobicContact CZ-CD 4.02Å; F197-K201 VanDerWaalsContact CZ-CE 3.48Å; F197-K201 HydrophobicContact CZ-CG 3.55Å; F197-K201 VanDerWaalsContact O-CB 3.24Å; F197-K201 WeakPolarHBondContact O-CB 3.44Å; F197-K201 WeakPolarHBondContact O-CG 3.33Å; F197-K201 PolarHBondContact O-N 3.43Å; K201-E204 WeakPolarHBondContact CD-OE2 3.27Å; K201-E204 WeakPolarHBondContact CE-OE2 3.41Å; K201-E204 IonicContact NZ-OE2 2.73Å; K201-E204 PolarHBondContact NZ-OE2 2.8Å; K201-E204 PolarHBondContact O-N 2.87Å; K201-L205 WeakPolarHBondContact O-CB 3.16Å; K201-L205 WeakPolarHBondContact O-CG 3.23Å; K201-L205 PolarHBondContact O-N 3.47Å
202L85.1Confident75.2Confident106 Ų106108.1 Ų108.156%0.55556%0.564SS**Hα-helixtrans-67.1-38.4175.2-174.564.8000111.5V198 T199 S200 L205 K206V198-L202 VanDerWaalsContact O-CB 3.3Å; V198-L202 WeakPolarHBondContact O-CB 3.39Å; V198-L202 PolarHBondContact O-N 3.22Å; T199-L202 PolarHBondContact O-N 2.78Å; S200-L202 VanDerWaalsContact C-N 3.34Å; S200-L202 PolarHBondContact O-N 3.39Å; L202-L205 PolarHBondContact O-N 2.66Å; L202-K206 WeakPolarHBondContact O-CG 3.37Å; L202-K206 PolarHBondContact O-N 3.44Å; L202-K206 VanDerWaalsContact O-N 3.08Å
203A83.1Confident74.7Confident54 Ų54113.4 Ų113.445%0.44658%0.577SS.*Hα-helixtrans-64-44172.800000111.4T199 S200 L205 K206 T207T199-A203 PolarHBondContact O-N 2.61Å; S200-A203 WeakPolarHBondContact O-CB 3.46Å; S200-A203 PolarHBondContact O-N 2.86Å; A203-L205 PolarHBondContact O-N 3.31Å; A203-K206 PolarHBondContact O-N 3.14Å; A203-T207 PolarHBondContact O-N 3.16Å; A203-T207 VanDerWaalsContact O-N 3.12Å; A203-T207 PolarHBondContact O-OG1 3.3Å
204E80.1Confident73.3Confident97 Ų97114.9 Ų114.945%0.45360%0.599SS.*Hα-helixtrans-59.5-42173.4-82.5-172.4125.600112.5S200 K201 K206 T207 K208S200-E204 PolarHBondContact O-N 2.83Å; K201-E204 WeakPolarHBondContact CD-OE2 3.27Å; K201-E204 WeakPolarHBondContact CE-OE2 3.41Å; K201-E204 IonicContact NZ-OE2 2.73Å; K201-E204 PolarHBondContact NZ-OE2 2.8Å; K201-E204 PolarHBondContact O-N 2.87Å; E204-K206 VanDerWaalsContact C-N 3.3Å; E204-K206 PolarHBondContact O-N 2.87Å; E204-T207 PolarHBondContact O-N 2.88Å; E204-T207 PolarHBondContact O-OG1 2.76Å; E204-K208 WeakPolarHBondContact O-CB 3.33Å; E204-K208 PolarHBondContact O-N 3.28Å
205L78.1Confident72.9Confident121 Ų121114.2 Ų114.263%0.63460%0.601SS**Hα-helixtrans-63.7-37.4177.1-82.4160.5000111.9K201 L202 A203 G209K201-L205 WeakPolarHBondContact O-CB 3.16Å; K201-L205 WeakPolarHBondContact O-CG 3.23Å; K201-L205 PolarHBondContact O-N 3.47Å; L202-L205 PolarHBondContact O-N 2.66Å; A203-L205 PolarHBondContact O-N 3.31Å; L205-G209 PolarHBondContact O-N 3.25Å
206K69.9Low72.4Confident151 Ų151110.9 Ų110.966%0.65760%0.598SS**Hα-helixtrans-67.1-37.8176.7-74.9-17470.1-175.30112.6L202 A203 E204 M210L202-K206 WeakPolarHBondContact O-CG 3.37Å; L202-K206 PolarHBondContact O-N 3.44Å; L202-K206 VanDerWaalsContact O-N 3.08Å; A203-K206 PolarHBondContact O-N 3.14Å; E204-K206 VanDerWaalsContact C-N 3.3Å; E204-K206 PolarHBondContact O-N 2.87Å; K206-M210 VanDerWaalsContact O-CG 3.27Å; K206-M210 WeakPolarHBondContact O-CG 3.4Å
207T70.3Confident71.8Confident91 Ų91109.5 Ų109.556%0.55859%0.59SS**Hα-helixtrans-78.9-39.8179.256.80000111.8A203 E204 M210 V211A203-T207 PolarHBondContact O-N 3.16Å; A203-T207 VanDerWaalsContact O-N 3.12Å; A203-T207 PolarHBondContact O-OG1 3.3Å; E204-T207 PolarHBondContact O-N 2.88Å; E204-T207 PolarHBondContact O-OG1 2.76Å; T207-M210 PolarHBondContact O-N 2.77Å; T207-V211 PolarHBondContact O-N 3.22Å
208K66.9Low70.8Confident144 Ų144109.5 Ų109.563%0.62660%0.597SS**Hα-helixtrans-69.8-32.1178.6-170.4155.2172.1175.90113.2E204 M210 N212E204-K208 WeakPolarHBondContact O-CB 3.33Å; E204-K208 PolarHBondContact O-N 3.28Å; K208-M210 VanDerWaalsContact C-N 3.28Å; K208-M210 PolarHBondContact O-N 3Å; K208-N212 PolarHBondContact O-N 2.98Å
209G59.6Low69.9Low47 Ų47111.8 Ų111.849%0.48561%0.607SS.*Hα-helixtrans-69.3-21.5172.300000114.4L205L205-G209 PolarHBondContact O-N 3.25Å
210M58.1Low68.9Low146 Ų146113.9 Ų113.972%0.71961%0.614SS**Hα-helixtrans-86.6-29.7177.2-67.3172.566.700112.4K206 T207 K208K206-M210 VanDerWaalsContact O-CG 3.27Å; K206-M210 WeakPolarHBondContact O-CG 3.4Å; T207-M210 PolarHBondContact O-N 2.77Å; K208-M210 VanDerWaalsContact C-N 3.28Å; K208-M210 PolarHBondContact O-N 3Å
211V57.2Low67.8Low104 Ų104117.2 Ų117.263%0.6362%0.624SS**Hα-helixtrans-74.2-27.3177.8156.30000113T207 K213T207-V211 PolarHBondContact O-N 3.22Å; V211-K213 VanDerWaalsContact C-N 3.28Å; V211-K213 PolarHBondContact O-N 3.47Å
212N57.9Low66.5Low121 Ų121119.5 Ų119.565%0.64764%0.643SS**THydrogen-bonded Turntrans-89.113.3-178.6-61.5-6.1000113.5K208K208-N212 PolarHBondContact O-N 2.98Å
213K54Low64.9Low185 Ų185120.6 Ų120.680%0.80465%0.65SS**  trans-124.633.9-174.8-165140.8178.3159.70113.3V211V211-K213 VanDerWaalsContact C-N 3.28Å; V211-K213 PolarHBondContact O-N 3.47Å
214T43.9Very low63.3Low186 Ų186126.6 Ų126.6100%1.14167%0.669SS**  trans-128.20166.650.30000108.3

Retrieved 214 of 214 residues in 31.2 ms (Link to these results)

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