A0A087Y9N5_POEFO Loading...

tRNA dimethylallyltransferase

Catalyzes the transfer of a dimethylallyl group onto the adenine at position 37 of both cytosolic and mitochondrial tRNAs, leading to the formation of N6-(dimethylallyl)adenosine (i6A37). Mediates modification of a limited subset of tRNAs: tRNA(Ser)(AGA), tRNA(Ser)(CGA), tRNA(Ser)(UGA), as well as partial modification of the selenocysteine tRNA(Ser)(UCA). TRIT1 is therefore required for selenoprotein expression.

AlphaFold DB , UniProt , Accession A0A087Y9N5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 472 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
1A34.1Very low31.8Very low148 Ų148114.8 Ų114.8100%1.22384%0.837SS**  099.6000000106.4
2A36.3Very low31.7Very low109 Ų109115.3 Ų115.390%0.90183%0.829SS**  74.4125.588.700000111.7
3G29Very low31.5Very low83 Ų83120.4 Ų120.486%0.85684%0.838SS**  trans125.9100.4163.700000114.3
4G32.4Very low31.4Very low71 Ų71117.4 Ų117.473%0.73282%0.817SS**  trans-91.1170.9170.300000113.3
5N30.7Very low31.4Very low174 Ų174118.3 Ų118.393%0.9382%0.816SS**  trans169.5120.7156.6-88.6-17.1000103.8
6G27.9Very low31.4Very low65 Ų65121.8 Ų121.867%0.6782%0.816SS**  cis109.8122.540.500000108.2
7I30.5Very low31.3Very low161 Ų161121.4 Ų121.483%0.82681%0.813SS**  trans99.6127.1154.6-45.7166.6000117.4
8M29.3Very low31.4Very low159 Ų159120.7 Ų120.778%0.78381%0.805SS**  trans100.459.4160.4-58.5-61.5-155.400118.5A10M8-A10 VanDerWaalsContact C-N 3.29Å; M8-A10 HydrophobicContact SD-CB 4.24Å
9A30.3Very low31.4Very low109 Ų109122.9 Ų122.990%0.90181%0.807SS**  trans-92.166.4143.100000109S11A9-S11 VanDerWaalsContact C-N 3.31Å; A9-S11 PolarHBondContact O-N 3.3Å
10A32.7Very low31.7Very low79 Ų79127.4 Ų127.465%0.65381%0.807SS**  trans-89.767.317200000109M8M8-A10 VanDerWaalsContact C-N 3.29Å; M8-A10 HydrophobicContact SD-CB 4.24Å
11S36.7Very low32Very low105 Ų105131.7 Ų131.773%0.73481%0.808SS**  trans-162.263.2-179.4-64.10000111.5A9A9-S11 VanDerWaalsContact C-N 3.31Å; A9-S11 PolarHBondContact O-N 3.3Å
12T30.2Very low32.4Very low120 Ų120128.5 Ų128.574%0.73678%0.781SS**  trans-176.654.3153.245.50000108.9S14T12-S14 PolarHBondContact O-N 3Å
13L29.9Very low33.2Very low182 Ų182128.1 Ų128.195%0.95376%0.762SS**  trans-77.564.5147.8-84161.4000106.2V15L13-V15 VanDerWaalsContact C-N 3.3Å; L13-V15 PolarHBondContact O-N 3.47Å
14S29.7Very low34.7Very low78 Ų78127.1 Ų127.155%0.54575%0.746SS.*  trans-66.695.9174.4-56.80000106.1T12 Q16T12-S14 PolarHBondContact O-N 3Å; S14-Q16 PolarHBondContact O-N 2.89Å
15V32.2Very low36.4Very low132 Ų132124.3 Ų124.380%0.872%0.715SS**  23.862.2128.7-164.60000113L13 C17L13-V15 VanDerWaalsContact C-N 3.3Å; L13-V15 PolarHBondContact O-N 3.47Å; V15-C17 HydrophobicContact CG1-CB 4.44Å; V15-C17 PolarHBondContact O-N 3.15Å
16Q30.4Very low38.9Very low174 Ų174117.1 Ų117.181%0.81368%0.678SS**  trans-96.547.2157.8-83.6-179.3-15.100107.2S14 V18S14-Q16 PolarHBondContact O-N 2.89Å; Q16-V18 HydrophobicContact CB-CG2 4.26Å; Q16-V18 HydrophobicContact CG-CG2 4.43Å; Q16-V18 PolarHBondContact O-N 2.68Å
17C30.6Very low41.9Very low114 Ų114114 Ų11477%0.7765%0.646SS**  trans-69.571.6143.7-157.30000105.4V15 L19V15-C17 HydrophobicContact CG1-CB 4.44Å; V15-C17 PolarHBondContact O-N 3.15Å; C17-L19 PolarHBondContact O-N 2.97Å
18V32.3Very low44.8Very low110 Ų110106.4 Ų106.467%0.66761%0.607SS**  trans-57.8115.1169.2174.20000104.4Q16 R20Q16-V18 HydrophobicContact CB-CG2 4.26Å; Q16-V18 HydrophobicContact CG-CG2 4.43Å; Q16-V18 PolarHBondContact O-N 2.68Å; V18-R20 PolarHBondContact O-N 3.29Å
19L31.8Very low47.9Very low162 Ų16298.9 Ų98.985%0.84857%0.57SS**  trans-31.798.1169.5-80.5131000110.2C17 R21C17-L19 PolarHBondContact O-N 2.97Å; L19-R21 PolarHBondContact O-N 3.42Å
20R37.5Very low51Low212 Ų21293.7 Ų93.780%0.853%0.527SS*.  trans-64.587.5161.3-84.6-176.4176.3-173.3-2.3104.9V18 A22V18-R20 PolarHBondContact O-N 3.29Å; R20-A22 PolarHBondContact O-N 2.67Å
21R38.6Very low53.8Low218 Ų21889.9 Ų89.982%0.82350%0.496SS*.  trans-45.7131.3156.8-102.1178.5162.1177.5-5.7105.5L19 M23L19-R21 PolarHBondContact O-N 3.42Å; R21-M23 WeakPolarHBondContact O-CA 3.21Å; R21-M23 WeakPolarHBondContact O-CG 3.27Å; R21-M23 PolarHBondContact O-N 3.14Å
22A41.4Very low56.4Low81 Ų8184.9 Ų84.967%0.66946%0.461SS*.  trans-40.5102170.300000109R20 A24 S375R20-A22 PolarHBondContact O-N 2.67Å; A22-A24 PolarHBondContact O-N 3.08Å; A22-A24 VanDerWaalsContact O-N 3.11Å; A22-S375 CarbonylContact C-O 3.57Å; A22-S375 WeakPolarHBondContact CA-O 3.49Å; A22-S375 WeakPolarHBondContact CB-O 3.36Å
23M52.8Low59.3Low102 Ų10279.2 Ų79.250%0.50243%0.426SS..  trans-87.586.7-167.8-68.7-161.471.600107.1R21 S375R21-M23 WeakPolarHBondContact O-CA 3.21Å; R21-M23 WeakPolarHBondContact O-CG 3.27Å; R21-M23 PolarHBondContact O-N 3.14Å; M23-S375 PolarHBondContact N-O 2.8Å; M23-S375 WeakPolarHBondContact O-CA 3.46Å
24A60.3Low62.1Low62 Ų6271.4 Ų71.451%0.51239%0.386SS..  trans-48.6136.7161.200000108.4A22 S26A22-A24 PolarHBondContact O-N 3.08Å; A22-A24 VanDerWaalsContact O-N 3.11Å; A24-S26 PolarHBondContact O-N 3.04Å
25P69.2Low64.9Low12 Ų1268.5 Ų68.58%0.07837%0.368CS..  trans-54.8132.5-177.220.3-30.5000109.4L27 V28 L117 C229 L371P25-L27 PolarHBondContact O-N 3.45Å; P25-L27 VanDerWaalsContact O-N 3.16Å; P25-V28 HydrophobicContact CB-CG2 4.41Å; P25-V28 HydrophobicContact CG-CG2 3.88Å; P25-L117 HydrophobicContact CG-CD1 4.47Å; P25-L117 WeakPolarHBondContact O-CD1 3.41Å; P25-C229 HydrophobicContact CB-CB 3.94Å; P25-C229 HydrophobicContact CG-CB 4.34Å; P25-L371 HydrophobicContact CG-CD2 3.73Å
26S82.6Confident67.6Low22 Ų2262.3 Ų62.315%0.15433%0.331CS..SBendtrans-62.4-25.8-177.363.20000112.4A24 H112 P118 F225 P226A24-S26 PolarHBondContact O-N 3.04Å; S26-H112 PolarHBondContact O-CE1 2.8Å; S26-H112 PolarHBondContact O-NE2 3.18Å; S26-P118 VanDerWaalsContact O-CG 3.31Å; S26-P118 WeakPolarHBondContact O-CG 3.25Å; S26-F225 WeakPolarHBondContact OG-CB 3.46Å; S26-P226 VanDerWaalsContact CB-O 3.31Å; S26-P226 WeakPolarHBondContact CB-O 3.45Å; S26-P226 PolarHBondContact OG-O 3.36Å
27L90.2Very high70.5Confident1 Ų155.3 Ų55.31%0.00531%0.306CS..  trans-152.2131.6179.8-171.468.7000109.8P25 V29 I108 P118 V120 L132 F225 P228 C229P25-L27 PolarHBondContact O-N 3.45Å; P25-L27 VanDerWaalsContact O-N 3.16Å; L27-V29 HydrophobicContact CD2-CG2 3.87Å; L27-V29 HydrophobicContact CG-CG2 4Å; L27-I108 HydrophobicContact CD1-CD1 4.07Å; L27-I108 HydrophobicContact CD1-CG1 4.45Å; L27-P118 HydrophobicContact CD1-CB 3.85Å; L27-P118 HydrophobicContact CD1-CG 3.77Å; L27-V120 HydrophobicContact CD1-CG2 3.77Å; L27-V120 HydrophobicContact CG-CG2 4.45Å; L27-L132 HydrophobicContact CD2-CD2 4.14Å; L27-F225 HydrophobicContact CD2-CD2 3.8Å; L27-F225 HydrophobicContact CD2-CE2 4.13Å; L27-P228 HydrophobicContact CB-CB 4.29Å; L27-P228 WeakPolarHBondContact O-CA 3.19Å; L27-C229 PolarHBondContact O-N 3.27Å
28V93Very high73.5Confident0 Ų051 Ų510%027%0.274CS..EExtended strand (participates in β ladder)trans-103.9130.5168.1178.10000108.8P25 I30 L117 P118 I119 V120 C229 F231 L371P25-V28 HydrophobicContact CB-CG2 4.41Å; P25-V28 HydrophobicContact CG-CG2 3.88Å; V28-I30 HydrophobicContact CG1-CG1 4.43Å; V28-L117 HydrophobicContact CG2-CD1 4.15Å; V28-L117 HydrophobicContact CG2-CD2 3.94Å; V28-L117 HydrophobicContact CG2-CG 4.26Å; V28-P118 PolarHBondContact N-O 2.93Å; V28-P118 VanDerWaalsContact N-O 3.08Å; V28-I119 HydrophobicContact CB-CG1 4.39Å; V28-I119 HydrophobicContact CG1-CG2 4.46Å; V28-I119 CarbonylContact O-C 3.55Å; V28-I119 WeakPolarHBondContact O-CA 3.37Å; V28-V120 PolarHBondContact O-N 3.41Å; V28-C229 WeakPolarHBondContact CA-O 3.46Å; V28-C229 HydrophobicContact CG2-CB 4.48Å; V28-F231 HydrophobicContact CG1-CD2 3.96Å; V28-F231 HydrophobicContact CG1-CE2 3.95Å; V28-L371 HydrophobicContact CG2-CD2 3.65Å
29V94.2Very high76.4Confident1 Ų147.1 Ų47.11%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-121.9128.7179.7-179.70000109.6L27 L31 V120 I128 L132 C229 I230 F231L27-V29 HydrophobicContact CD2-CG2 3.87Å; L27-V29 HydrophobicContact CG-CG2 4Å; V29-L31 HydrophobicContact CG1-CD2 3.96Å; V29-L31 HydrophobicContact CG1-CG 4.05Å; V29-V120 CarbonylContact C-O 3.45Å; V29-V120 WeakPolarHBondContact CA-O 3.24Å; V29-V120 HydrophobicContact CG2-CB 4.4Å; V29-I128 HydrophobicContact CG1-CD1 4.3Å; V29-I128 HydrophobicContact CG1-CG2 3.42Å; V29-I128 VanDerWaalsContact CG1-CG2 3.42Å; V29-L132 HydrophobicContact CG2-CD2 4.11Å; V29-C229 PolarHBondContact N-O 3.17Å; V29-I230 HydrophobicContact CB-CG1 4.17Å; V29-I230 HydrophobicContact CB-CG2 4.42Å; V29-I230 HydrophobicContact CG1-CG2 4.42Å; V29-I230 CarbonylContact O-C 3.53Å; V29-I230 WeakPolarHBondContact O-CA 3.48Å; V29-F231 PolarHBondContact O-N 2.93Å
30I94.7Very high79.3Confident0 Ų044.2 Ų44.20%023%0.232CC..EExtended strand (participates in β ladder)trans-114.2108.4178.5-59.3170.7000109.4V28 K38 L41 A42 I45 I119 V120 V121 F231 L233V28-I30 HydrophobicContact CG1-CG1 4.43Å; I30-K38 HydrophobicContact CG2-CB 4.05Å; I30-K38 HydrophobicContact CG2-CG 4.18Å; I30-L41 HydrophobicContact CD1-CB 4.37Å; I30-L41 HydrophobicContact CD1-CD2 4.21Å; I30-L41 HydrophobicContact CD1-CG 4.11Å; I30-L41 HydrophobicContact CG1-CD2 4.49Å; I30-L41 HydrophobicContact CG2-CD2 4.28Å; I30-A42 HydrophobicContact CD1-CB 3.76Å; I30-I45 HydrophobicContact CD1-CD1 4.14Å; I30-I119 HydrophobicContact CD1-CG2 3.88Å; I30-I119 HydrophobicContact CG1-CG2 4.49Å; I30-V120 PolarHBondContact N-O 3.2Å; I30-V121 HydrophobicContact CB-CB 4.47Å; I30-V121 HydrophobicContact CB-CG2 4.14Å; I30-V121 HydrophobicContact CG2-CG2 4.3Å; I30-F231 HydrophobicContact CG1-CB 4.46Å; I30-F231 HydrophobicContact CG1-CD2 4.39Å; I30-L233 HydrophobicContact CG2-CD1 3.71Å
31L92.3Very high82Confident0 Ų034.1 Ų34.10%019%0.194CC..EExtended strand (participates in β ladder)trans-101.7153.8178.7-60-179.8000111.5V29 I128 I230 F231 W232 L233 V333 F337V29-L31 HydrophobicContact CG1-CD2 3.96Å; V29-L31 HydrophobicContact CG1-CG 4.05Å; L31-I128 HydrophobicContact CD2-CB 4.45Å; L31-I128 HydrophobicContact CD2-CD1 3.27Å; L31-I128 HydrophobicContact CD2-CG1 4.42Å; L31-I128 HydrophobicContact CD2-CG2 4.12Å; L31-I230 HydrophobicContact CD1-CG2 3.46Å; L31-I230 VanDerWaalsContact CD1-CG2 3.46Å; L31-I230 HydrophobicContact CG-CG2 3.88Å; L31-F231 PolarHBondContact N-O 3.04Å; L31-W232 WeakPolarHBondContact O-CA 3.29Å; L31-L233 PolarHBondContact O-N 3.12Å; L31-V333 HydrophobicContact CD1-CG1 4.47Å; L31-F337 HydrophobicContact CD1-CD1 4.24Å; L31-F337 HydrophobicContact CD1-CD2 4.13Å; L31-F337 HydrophobicContact CD1-CE1 4.11Å; L31-F337 HydrophobicContact CD1-CE2 3.99Å; L31-F337 HydrophobicContact CD1-CG 4.25Å; L31-F337 HydrophobicContact CD1-CZ 3.97Å
32G90.4Very high84.7Confident0 Ų023.8 Ų23.80%016%0.155CC..EExtended strand (participates in β ladder)trans158.4162.917300000112.9K38G32-K38 WeakPolarHBondContact O-CD 3.49Å; G32-K38 WeakPolarHBondContact O-CE 3.05Å; G32-K38 PolarHBondContact O-NZ 2.85Å
33A90.7Very high87.3Confident0 Ų020.1 Ų20.10%012%0.124CC..  trans-60.1160.3174.500000112T36 K38 L240 A326A33-T36 HydrophobicContact CB-CG2 4Å; A33-T36 WeakPolarHBondContact O-CG2 3.07Å; A33-T36 PolarHBondContact O-N 2.9Å; A33-T36 PolarHBondContact O-OG1 3.22Å; A33-K38 PolarHBondContact O-NZ 2.92Å; A33-L240 HydrophobicContact CB-CD2 3.92Å; A33-A326 HydrophobicContact CB-CB 3.91Å
34T90.1Very high89.2Confident18 Ų1817.3 Ų17.311%0.1111%0.11CC..THydrogen-bonded Turntrans-56.7148165.2-169.80000110.5T36 L244 R247 T322 Y325 A326T34-T36 PolarHBondContact O-N 2.78Å; T34-L244 HydrophobicContact CG2-CD2 3.8Å; T34-R247 PolarHBondContact OG1-NH2 3.39Å; T34-T322 HydrophobicContact CG2-CG2 3.88Å; T34-Y325 HydrophobicContact CG2-CD1 4.22Å; T34-A326 HydrophobicContact CG2-CB 4.23Å
35G86.8Confident90.8Very high17 Ų1714.3 Ų14.318%0.1759%0.085CC..THydrogen-bonded Turntrans790.7-176.700000117R243G35-R243 PolarHBondContact O-NH1 2.67Å
36T90.1Very high91.9Very high2 Ų214 Ų141%0.0128%0.084CC..SBendtrans-87.3-1.7-179.761.60000115.5A33 T34 K38 L233 L240 V353A33-T36 HydrophobicContact CB-CG2 4Å; A33-T36 WeakPolarHBondContact O-CG2 3.07Å; A33-T36 PolarHBondContact O-N 2.9Å; A33-T36 PolarHBondContact O-OG1 3.22Å; T34-T36 PolarHBondContact O-N 2.78Å; T36-K38 WeakPolarHBondContact OG1-CG 3.36Å; T36-L233 WeakPolarHBondContact O-CD2 3.33Å; T36-L240 HydrophobicContact CG2-CD1 4.05Å; T36-V353 HydrophobicContact CG2-CG2 4.15Å
37G90.5Very high92.3Very high28 Ų2817.1 Ų17.129%0.28910%0.095SC..  trans84.722.7179.600000115.5S39 K40 L41 W359G37-S39 PolarHBondContact O-N 3.35Å; G37-K40 WeakPolarHBondContact O-CB 3.09Å; G37-K40 PolarHBondContact O-N 3.42Å; G37-K40 VanDerWaalsContact O-N 3.16Å; G37-L41 PolarHBondContact O-N 3.47Å; G37-L41 VanDerWaalsContact O-N 3.1Å; G37-W359 WeakPolarHBondContact O-CH2 3.43Å
38K94.2Very high92.3Very high24 Ų2422.2 Ų22.210%0.10411%0.114CC..Hα-helixtrans-51.6-49.1-180-62.7-173.6-65.2-62.10113.9I30 G32 A33 T36 K40 L41 A42 V121 G122 L233I30-K38 HydrophobicContact CG2-CB 4.05Å; I30-K38 HydrophobicContact CG2-CG 4.18Å; G32-K38 WeakPolarHBondContact O-CD 3.49Å; G32-K38 WeakPolarHBondContact O-CE 3.05Å; G32-K38 PolarHBondContact O-NZ 2.85Å; A33-K38 PolarHBondContact O-NZ 2.92Å; T36-K38 WeakPolarHBondContact OG1-CG 3.36Å; K38-K40 VanDerWaalsContact C-N 3.34Å; K38-K40 PolarHBondContact O-N 2.74Å; K38-L41 PolarHBondContact O-N 3.25Å; K38-A42 PolarHBondContact O-N 3.37Å; K38-V121 HydrophobicContact CB-CG2 3.59Å; K38-G122 WeakPolarHBondContact CE-O 3.47Å; K38-L233 HydrophobicContact CG-CD2 4.38Å
39S92.9Very high92.1Very high28 Ų2825.8 Ų25.820%0.19613%0.132CC..Hα-helixtrans-62.7-41.1180-48.40000111.7G37 L41 A42 I43G37-S39 PolarHBondContact O-N 3.35Å; S39-L41 PolarHBondContact O-N 2.93Å; S39-A42 PolarHBondContact O-N 3.19Å; S39-I43 VanDerWaalsContact O-CG1 3.31Å; S39-I43 WeakPolarHBondContact O-CG1 3.03Å; S39-I43 PolarHBondContact O-N 2.94Å
40K93.6Very high91.8Very high101 Ų10131.9 Ų31.944%0.43916%0.161SC..Hα-helixtrans-57.6-47.7175.6-174.8-179.8-179.4-177.50111.4G37 K38 E44 W359G37-K40 WeakPolarHBondContact O-CB 3.09Å; G37-K40 PolarHBondContact O-N 3.42Å; G37-K40 VanDerWaalsContact O-N 3.16Å; K38-K40 VanDerWaalsContact C-N 3.34Å; K38-K40 PolarHBondContact O-N 2.74Å; K40-E44 WeakPolarHBondContact O-CB 3.32Å; K40-E44 VanDerWaalsContact O-CG 3.29Å; K40-E44 WeakPolarHBondContact O-CG 3.29Å; K40-E44 PolarHBondContact O-N 3.24Å; K40-E44 VanDerWaalsContact O-N 3.09Å; K40-W359 HydrophobicContact CB-CH2 4.45Å; K40-W359 HydrophobicContact CB-CZ2 4.12Å; K40-W359 HydrophobicContact CD-CD2 4.29Å; K40-W359 HydrophobicContact CD-CH2 4.48Å; K40-W359 HydrophobicContact CD-CZ2 3.95Å; K40-W359 HydrophobicContact CG-CZ2 3.95Å
41L94.4Very high91.7Very high0 Ų032.2 Ų32.20%016%0.164CC..Hα-helixtrans-64.3-42.4176.9-175.662.9000111.9I30 G37 K38 S39 I43 E44 I45 L233 L351 W359 V363 L364 A367I30-L41 HydrophobicContact CD1-CB 4.37Å; I30-L41 HydrophobicContact CD1-CD2 4.21Å; I30-L41 HydrophobicContact CD1-CG 4.11Å; I30-L41 HydrophobicContact CG1-CD2 4.49Å; I30-L41 HydrophobicContact CG2-CD2 4.28Å; G37-L41 PolarHBondContact O-N 3.47Å; G37-L41 VanDerWaalsContact O-N 3.1Å; K38-L41 PolarHBondContact O-N 3.25Å; S39-L41 PolarHBondContact O-N 2.93Å; L41-I43 PolarHBondContact O-N 3.38Å; L41-E44 PolarHBondContact O-N 3.27Å; L41-I45 HydrophobicContact CD1-CD1 3.91Å; L41-I45 HydrophobicContact CD1-CG1 4.16Å; L41-I45 HydrophobicContact CD2-CD1 4.28Å; L41-I45 HydrophobicContact CG-CD1 3.73Å; L41-I45 HydrophobicContact CG-CG1 4.35Å; L41-I45 WeakPolarHBondContact O-CG1 3.41Å; L41-I45 PolarHBondContact O-N 2.94Å; L41-L233 HydrophobicContact CB-CD2 4.46Å; L41-L233 HydrophobicContact CD2-CD1 3.73Å; L41-L233 HydrophobicContact CD2-CD2 4.25Å; L41-L233 HydrophobicContact CD2-CG 4.4Å; L41-L351 HydrophobicContact CD2-CD1 3.77Å; L41-W359 HydrophobicContact CB-CH2 4.16Å; L41-W359 HydrophobicContact CB-CZ2 3.9Å; L41-W359 HydrophobicContact CD1-CZ2 4.46Å; L41-V363 HydrophobicContact CD1-CG1 4.06Å; L41-V363 HydrophobicContact CD2-CG1 4.16Å; L41-L364 HydrophobicContact CD1-CD1 3.91Å; L41-A367 HydrophobicContact CD1-CB 4.16Å
42A94.9Very high91.8Very high0 Ų033 Ų330%017%0.168CC..Hα-helixtrans-59.9-45.2179.600000112I30 K38 S39 I45 G46 I53 I119 V121I30-A42 HydrophobicContact CD1-CB 3.76Å; K38-A42 PolarHBondContact O-N 3.37Å; S39-A42 PolarHBondContact O-N 3.19Å; A42-I45 PolarHBondContact O-N 3.38Å; A42-G46 PolarHBondContact O-N 3.06Å; A42-I53 HydrophobicContact CB-CD1 3.81Å; A42-I53 HydrophobicContact CB-CG1 4.13Å; A42-I53 HydrophobicContact CB-CG2 4.35Å; A42-I119 HydrophobicContact CB-CG2 4.09Å; A42-V121 HydrophobicContact CB-CB 4.05Å; A42-V121 HydrophobicContact CB-CG1 4.2Å; A42-V121 HydrophobicContact CB-CG2 4.12Å
43I94.8Very high92.1Very high4 Ų433 Ų332%0.02117%0.168CC..Hα-helixtrans-63.5-45.8177.5-68.4165.4000110.7S39 L41 I45 G46 K47 I53 E76 Q79 C80S39-I43 VanDerWaalsContact O-CG1 3.31Å; S39-I43 WeakPolarHBondContact O-CG1 3.03Å; S39-I43 PolarHBondContact O-N 2.94Å; L41-I43 PolarHBondContact O-N 3.38Å; I43-I45 VanDerWaalsContact C-N 3.34Å; I43-I45 PolarHBondContact O-N 2.91Å; I43-G46 PolarHBondContact O-N 3.5Å; I43-K47 HydrophobicContact CG2-CD 4.34Å; I43-K47 HydrophobicContact CG2-CG 4.49Å; I43-K47 WeakPolarHBondContact O-CG 3.39Å; I43-K47 PolarHBondContact O-N 2.78Å; I43-I53 HydrophobicContact CB-CD1 4.47Å; I43-I53 HydrophobicContact CG1-CD1 3.8Å; I43-E76 HydrophobicContact CD1-CB 3.72Å; I43-E76 HydrophobicContact CD1-CG 4.04Å; I43-Q79 HydrophobicContact CG2-CB 3.87Å; I43-C80 HydrophobicContact CG1-CB 4.42Å; I43-C80 HydrophobicContact CG2-CB 4.35Å
44E94.1Very high92.4Very high43 Ų4333 Ų3320%0.20117%0.168CC..Hα-helixtrans-65.7-34.8-178.9-76.3-59.4128.300113.5K40 L41 K47 R48 L364K40-E44 WeakPolarHBondContact O-CB 3.32Å; K40-E44 VanDerWaalsContact O-CG 3.29Å; K40-E44 WeakPolarHBondContact O-CG 3.29Å; K40-E44 PolarHBondContact O-N 3.24Å; K40-E44 VanDerWaalsContact O-N 3.09Å; L41-E44 PolarHBondContact O-N 3.27Å; E44-K47 IonicContact OE1-NZ 2.97Å; E44-K47 PolarHBondContact OE1-NZ 2.8Å; E44-R48 WeakPolarHBondContact O-CG 3.31Å; E44-R48 PolarHBondContact O-NH1 3.05Å; E44-R48 VanDerWaalsContact O-NH1 3.12Å; E44-R48 IonicContact OE2-CZ 3.28Å; E44-R48 IonicContact OE2-NH1 2.78Å; E44-R48 PolarHBondContact OE2-NH1 3.11Å; E44-R48 IonicContact OE2-NH2 2.86Å; E44-L364 HydrophobicContact CB-CD1 3.75Å; E44-L364 HydrophobicContact CB-CD2 4.27Å; E44-L364 HydrophobicContact CG-CD2 4.33Å
45I92.6Very high92.6Very high0 Ų032.4 Ų32.40%016%0.164CC..Hα-helixtrans-71.6-45.8171.4-67.4171.3000110I30 L41 A42 I43 K47 R48 L49 I119 F231 L371I30-I45 HydrophobicContact CD1-CD1 4.14Å; L41-I45 HydrophobicContact CD1-CD1 3.91Å; L41-I45 HydrophobicContact CD1-CG1 4.16Å; L41-I45 HydrophobicContact CD2-CD1 4.28Å; L41-I45 HydrophobicContact CG-CD1 3.73Å; L41-I45 HydrophobicContact CG-CG1 4.35Å; L41-I45 WeakPolarHBondContact O-CG1 3.41Å; L41-I45 PolarHBondContact O-N 2.94Å; A42-I45 PolarHBondContact O-N 3.38Å; I43-I45 VanDerWaalsContact C-N 3.34Å; I43-I45 PolarHBondContact O-N 2.91Å; I45-K47 VanDerWaalsContact C-N 3.34Å; I45-K47 PolarHBondContact O-N 2.93Å; I45-R48 PolarHBondContact O-N 3.3Å; I45-R48 VanDerWaalsContact O-N 3.15Å; I45-L49 HydrophobicContact CG2-CD1 3.9Å; I45-L49 HydrophobicContact CG2-CG 4.43Å; I45-L49 PolarHBondContact O-N 2.85Å; I45-I119 HydrophobicContact CB-CD1 4.17Å; I45-I119 HydrophobicContact CG2-CD1 3.71Å; I45-F231 HydrophobicContact CD1-CD2 4.49Å; I45-F231 HydrophobicContact CD1-CE2 4.31Å; I45-L371 HydrophobicContact CD1-CD1 4.07Å; I45-L371 HydrophobicContact CG1-CD1 4.28Å; I45-L371 HydrophobicContact CG2-CD1 3.76Å
46G92Very high93Very high4 Ų431.6 Ų31.64%0.04116%0.156CC..Hα-helixtrans-57.6-43.6-179.600000112.9A42 I43 R48 Q50 G51A42-G46 PolarHBondContact O-N 3.06Å; I43-G46 PolarHBondContact O-N 3.5Å; G46-R48 PolarHBondContact O-N 2.77Å; G46-Q50 CarbonylContact O-C 3.56Å; G46-Q50 VanDerWaalsContact O-CA 3.27Å; G46-Q50 WeakPolarHBondContact O-CA 3.29Å; G46-Q50 PolarHBondContact O-N 3.23Å; G46-G51 PolarHBondContact O-N 3.38Å
47K91.9Very high93.1Very high89 Ų8932.5 Ų32.539%0.38716%0.161SC..Hα-helixtrans-59.3-45.3174.4-73.7175.1-172.91650113I43 E44 I45I43-K47 HydrophobicContact CG2-CD 4.34Å; I43-K47 HydrophobicContact CG2-CG 4.49Å; I43-K47 WeakPolarHBondContact O-CG 3.39Å; I43-K47 PolarHBondContact O-N 2.78Å; E44-K47 IonicContact OE1-NZ 2.97Å; E44-K47 PolarHBondContact OE1-NZ 2.8Å; I45-K47 VanDerWaalsContact C-N 3.34Å; I45-K47 PolarHBondContact O-N 2.93Å
48R90.1Very high93Very high108 Ų10832.6 Ų32.641%0.40816%0.156SC..Hα-helixtrans-79.4-35.4-173.4-70.9-174.8179.985.5-10.8113E44 I45 G46 E360 L368E44-R48 WeakPolarHBondContact O-CG 3.31Å; E44-R48 PolarHBondContact O-NH1 3.05Å; E44-R48 VanDerWaalsContact O-NH1 3.12Å; E44-R48 IonicContact OE2-CZ 3.28Å; E44-R48 IonicContact OE2-NH1 2.78Å; E44-R48 PolarHBondContact OE2-NH1 3.11Å; E44-R48 IonicContact OE2-NH2 2.86Å; I45-R48 PolarHBondContact O-N 3.3Å; I45-R48 VanDerWaalsContact O-N 3.15Å; G46-R48 PolarHBondContact O-N 2.77Å; R48-E360 IonicContact NH2-OE1 3.67Å; R48-L368 HydrophobicContact CB-CD2 4.44Å
49L88.4Confident92.8Very high75 Ų7533 Ų3339%0.39316%0.159SC..Hα-helixtrans-106.513.4-175.2-59.6-176.5000113.3I45 G51 L117 L371I45-L49 HydrophobicContact CG2-CD1 3.9Å; I45-L49 HydrophobicContact CG2-CG 4.43Å; I45-L49 PolarHBondContact O-N 2.85Å; L49-G51 PolarHBondContact O-N 2.9Å; L49-L117 HydrophobicContact CB-CD2 3.95Å; L49-L117 HydrophobicContact CD1-CD2 3.84Å; L49-L371 HydrophobicContact CD1-CB 4.13Å; L49-L371 HydrophobicContact CD1-CD1 3.59Å; L49-L371 HydrophobicContact CD1-CG 4.38Å
50Q88.5Confident92.8Very high129 Ų12932.5 Ų32.560%0.60315%0.154SC*.THydrogen-bonded Turntrans50.340.3-176.2-53.4-175.51800112.5G46 K116G46-Q50 CarbonylContact O-C 3.56Å; G46-Q50 VanDerWaalsContact O-CA 3.27Å; G46-Q50 WeakPolarHBondContact O-CA 3.29Å; G46-Q50 PolarHBondContact O-N 3.23Å; Q50-K116 HydrophobicContact CB-CD 4.48Å; Q50-K116 WeakPolarHBondContact O-CD 3.11Å
51G91.8Very high92.8Very high6 Ų627.7 Ų27.76%0.06213%0.133CC..EExtended strand (participates in β ladder)trans-86.1164.4179.800000112.9G46 L49 C80 L117G46-G51 PolarHBondContact O-N 3.38Å; L49-G51 PolarHBondContact O-N 2.9Å; G51-C80 PolarHBondContact O-SG 3.44Å; G51-C80 VanDerWaalsContact O-SG 3.35Å; G51-L117 CarbonylContact C-O 3.59Å; G51-L117 WeakPolarHBondContact CA-O 3.11Å
52E95.4Very high92.6Very high18 Ų1828.1 Ų28.18%0.08414%0.135CC..EExtended strand (participates in β ladder)trans-122.2144.4171.6-62.9-173.9-167.400109.5A81 H83 M111 R114 K116 L117 I119E52-A81 HydrophobicContact CB-CB 4.48Å; E52-A81 HydrophobicContact CG-CB 4.12Å; E52-H83 IonicContact OE2-CD2 3.8Å; E52-H83 IonicContact OE2-CE1 2.77Å; E52-H83 IonicContact OE2-NE2 3.78Å; E52-H83 PolarHBondContact OE2-NE2 3.03Å; E52-M111 HydrophobicContact CB-CE 3.68Å; E52-M111 HydrophobicContact CB-CG 4.32Å; E52-M111 HydrophobicContact CB-SD 3.88Å; E52-R114 IonicContact OE1-CZ 3.37Å; E52-R114 IonicContact OE1-NH1 2.67Å; E52-R114 PolarHBondContact OE1-NH1 3.22Å; E52-R114 IonicContact OE1-NH2 3.22Å; E52-R114 PolarHBondContact OE1-NH2 3.35Å; E52-R114 IonicContact OE2-CZ 3.81Å; E52-R114 IonicContact OE2-NH1 3.81Å; E52-R114 IonicContact OE2-NH2 2.9Å; E52-R114 PolarHBondContact OE2-NH2 3.34Å; E52-K116 HydrophobicContact CG-CB 4.35Å; E52-L117 PolarHBondContact N-O 3.23Å; E52-I119 PolarHBondContact O-N 3.37Å
53I96.4Very high92.4Very high0 Ų033 Ų330%016%0.156CC..EExtended strand (participates in β ladder)trans-101.4132.7-170-61.9166.4000110.2A42 I43 C80 A81 H82 H83 I119 V121A42-I53 HydrophobicContact CB-CD1 3.81Å; A42-I53 HydrophobicContact CB-CG1 4.13Å; A42-I53 HydrophobicContact CB-CG2 4.35Å; I43-I53 HydrophobicContact CB-CD1 4.47Å; I43-I53 HydrophobicContact CG1-CD1 3.8Å; I53-C80 HydrophobicContact CD1-CB 3.89Å; I53-C80 VanDerWaalsContact CD1-SG 3.58Å; I53-A81 PolarHBondContact N-O 3.45Å; I53-H82 WeakPolarHBondContact CD1-NE2 3.19Å; I53-H82 CarbonylContact O-C 3.47Å; I53-H82 WeakPolarHBondContact O-CA 3.2Å; I53-H83 PolarHBondContact O-CD2 3.3Å; I53-H83 PolarHBondContact O-N 2.86Å; I53-I119 CarbonylContact C-O 3.56Å; I53-I119 VanDerWaalsContact CA-O 3.29Å; I53-I119 WeakPolarHBondContact CA-O 3.29Å; I53-I119 HydrophobicContact CG1-CB 4.32Å; I53-V121 HydrophobicContact CG2-CB 4.39Å; I53-V121 HydrophobicContact CG2-CG1 3.33Å
54I96.5Very high92.1Very high0 Ų034.1 Ų34.10%017%0.168CC..EExtended strand (participates in β ladder)trans-112.2115.8172.4-58.1176.3000107.9A56 H83 M84 A104 L107 I108 M111 I119 V120 V121I54-A56 PolarHBondContact O-N 3.11Å; I54-H83 HydrophobicContact CG1-CB 4.43Å; I54-M84 HydrophobicContact CG2-CB 4.28Å; I54-M84 HydrophobicContact CG2-CG 3.72Å; I54-A104 HydrophobicContact CG2-CB 4.22Å; I54-L107 HydrophobicContact CD1-CB 4.27Å; I54-I108 HydrophobicContact CD1-CD1 4.21Å; I54-I108 HydrophobicContact CD1-CG1 3.5Å; I54-I108 VanDerWaalsContact CD1-CG1 3.5Å; I54-M111 HydrophobicContact CD1-CE 3.89Å; I54-M111 HydrophobicContact CD1-SD 4.04Å; I54-M111 HydrophobicContact CG1-CE 3.7Å; I54-M111 HydrophobicContact CG1-SD 4.3Å; I54-I119 PolarHBondContact N-O 3.34Å; I54-V120 HydrophobicContact CB-CG2 4.28Å; I54-V120 WeakPolarHBondContact O-CA 3.31Å; I54-V121 PolarHBondContact O-N 3.31Å
55S95.7Very high91.9Very high4 Ų432.3 Ų32.33%0.02816%0.16CC..EExtended strand (participates in β ladder)trans-75.1121.5175.7-174.20000111Q60 H83 M84 L85 F100 V121S55-Q60 PolarHBondContact OG-OE1 3.12Å; S55-H83 PolarHBondContact N-O 3.19Å; S55-H83 VanDerWaalsContact N-O 3.07Å; S55-M84 WeakPolarHBondContact O-CB 3.33Å; S55-L85 VanDerWaalsContact CB-CD2 3.41Å; S55-F100 WeakPolarHBondContact O-CE2 3.41Å; S55-V121 CarbonylContact C-O 3.58Å; S55-V121 WeakPolarHBondContact CA-O 3.45Å
56A93.7Very high91.8Very high0 Ų036 Ų360%018%0.179CC..  trans-105.857.3173.600000110.6I54 F100 V120 V121 G122 T124 I128I54-A56 PolarHBondContact O-N 3.11Å; A56-F100 HydrophobicContact CB-CE1 4.44Å; A56-F100 HydrophobicContact CB-CE2 4.44Å; A56-F100 HydrophobicContact CB-CZ 3.76Å; A56-V120 HydrophobicContact CB-CG1 3.75Å; A56-V121 PolarHBondContact N-O 3.13Å; A56-G122 WeakPolarHBondContact O-CA 3.28Å; A56-T124 WeakPolarHBondContact O-CB 3.37Å; A56-T124 PolarHBondContact O-N 3.06Å; A56-T124 VanDerWaalsContact O-N 3.16Å; A56-I128 HydrophobicContact CB-CD1 4.17Å; A56-I128 HydrophobicContact CB-CG1 3.63Å
57D92.3Very high91.8Very high22 Ų2237.5 Ų37.512%0.11819%0.186CC..  trans-123.9124.2173.2-165.2-62.3000110.9M59 Q60D57-M59 PolarHBondContact O-N 2.68Å; D57-M59 PolarHBondContact OD1-N 2.89Å; D57-Q60 HydrophobicContact CB-CB 4.03Å; D57-Q60 HydrophobicContact CB-CG 3.79Å; D57-Q60 PolarHBondContact O-N 3.22Å
58S89.1Confident91.8Very high29 Ų2934 Ų3420%0.20317%0.171CC..THydrogen-bonded Turntrans-64-21.5-176.347.20000114.1V61 Y62 T124S58-V61 WeakPolarHBondContact O-CG2 3.23Å; S58-Y62 WeakPolarHBondContact O-CE2 3.13Å; S58-T124 PolarHBondContact N-OG1 3.48Å; S58-T124 PolarHBondContact OG-OG1 2.88Å; S58-T124 VanDerWaalsContact OG-OG1 3.05Å
59M90.4Very high91.8Very high32 Ų3229.5 Ų29.516%0.15816%0.156CC..THydrogen-bonded Turntrans-94.8-30.2179.9-57-66.992.800111.9D57 V61 Y62 T69 I283 Q285 S286D57-M59 PolarHBondContact O-N 2.68Å; D57-M59 PolarHBondContact OD1-N 2.89Å; M59-V61 VanDerWaalsContact C-N 3.28Å; M59-V61 PolarHBondContact O-N 2.95Å; M59-Y62 HydrophobicContact CE-CE2 4.47Å; M59-Y62 PolarHBondContact O-N 3.31Å; M59-T69 HydrophobicContact CB-CG2 3.8Å; M59-I283 HydrophobicContact CB-CD1 4.47Å; M59-I283 HydrophobicContact SD-CD1 4.45Å; M59-Q285 HydrophobicContact CE-CB 4.46Å; M59-Q285 HydrophobicContact SD-CB 4.43Å; M59-S286 VanDerWaalsContact SD-CA 3.55Å
60Q92.6Very high91.9Very high19 Ų1928.4 Ų28.49%0.08915%0.151CC..THydrogen-bonded Turntrans-75.3-14.1-177-62.5-173.7-14.100114.3S55 D57 Y62 T69 N70 K71 L85 D86S55-Q60 PolarHBondContact OG-OE1 3.12Å; D57-Q60 HydrophobicContact CB-CB 4.03Å; D57-Q60 HydrophobicContact CB-CG 3.79Å; D57-Q60 PolarHBondContact O-N 3.22Å; Q60-Y62 PolarHBondContact O-N 3.42Å; Q60-T69 PolarHBondContact NE2-O 3.31Å; Q60-N70 PolarHBondContact NE2-O 2.76Å; Q60-K71 HydrophobicContact CB-CG 4.26Å; Q60-K71 HydrophobicContact CG-CG 4.17Å; Q60-L85 HydrophobicContact CB-CD2 3.69Å; Q60-D86 PolarHBondContact O-N 3.02Å
61V92.5Very high92.1Very high0 Ų023.4 Ų23.40%013%0.127CC..THydrogen-bonded Turntrans-67.2-24.3173.8-60.10000112.6S58 M59 F87 V88 Y95S58-V61 WeakPolarHBondContact O-CG2 3.23Å; M59-V61 VanDerWaalsContact C-N 3.28Å; M59-V61 PolarHBondContact O-N 2.95Å; V61-F87 HydrophobicContact CB-CD1 4.43Å; V61-F87 HydrophobicContact CB-CE1 3.68Å; V61-F87 HydrophobicContact CB-CZ 3.97Å; V61-F87 HydrophobicContact CG1-CE1 3.79Å; V61-F87 HydrophobicContact CG1-CZ 4.06Å; V61-F87 PolarHBondContact O-N 3.16Å; V61-V88 HydrophobicContact CB-CG2 3.94Å; V61-V88 HydrophobicContact CG2-CB 4.39Å; V61-V88 HydrophobicContact CG2-CG2 3.95Å; V61-V88 WeakPolarHBondContact O-CB 3.32Å; V61-V88 PolarHBondContact O-N 2.94Å; V61-Y95 HydrophobicContact CB-CE1 4.42Å; V61-Y95 HydrophobicContact CG1-CE1 4.22Å; V61-Y95 HydrophobicContact CG2-CD1 4.04Å; V61-Y95 HydrophobicContact CG2-CE1 4.06Å
62Y91.6Very high92.1Very high9 Ų923.7 Ų23.74%0.03513%0.128CC..BIsolated β-bridgetrans-81.2151.1-176-70.3-86.8000112.8S58 M59 Q60 K71 V88 V92 G282 I283S58-Y62 WeakPolarHBondContact O-CE2 3.13Å; M59-Y62 HydrophobicContact CE-CE2 4.47Å; M59-Y62 PolarHBondContact O-N 3.31Å; Q60-Y62 PolarHBondContact O-N 3.42Å; Y62-K71 VanDerWaalsContact O-CE 3.31Å; Y62-K71 WeakPolarHBondContact O-CE 3.44Å; Y62-K71 PolarHBondContact O-NZ 3.11Å; Y62-V88 CarbonylContact C-O 3.5Å; Y62-V88 VanDerWaalsContact CA-O 3.3Å; Y62-V88 WeakPolarHBondContact CA-O 3.33Å; Y62-V88 HydrophobicContact CD1-CB 3.96Å; Y62-V88 HydrophobicContact CD1-CG1 3.65Å; Y62-V88 HydrophobicContact CE1-CB 4.24Å; Y62-V88 HydrophobicContact CE1-CG1 3.49Å; Y62-V88 VanDerWaalsContact CE1-CG1 3.49Å; Y62-V88 HydrophobicContact CG-CB 4.37Å; Y62-V88 HydrophobicContact CG-CG1 4.47Å; Y62-V92 WeakPolarHBondContact CE1-O 3.32Å; Y62-G282 WeakPolarHBondContact OH-CA 3.37Å; Y62-I283 HydrophobicContact CD1-CB 3.84Å; Y62-I283 HydrophobicContact CD2-CB 4.03Å; Y62-I283 HydrophobicContact CD2-CD1 3.78Å; Y62-I283 HydrophobicContact CD2-CG1 4.36Å; Y62-I283 HydrophobicContact CE1-CB 4.23Å; Y62-I283 HydrophobicContact CE2-CB 4.42Å; Y62-I283 HydrophobicContact CG-CB 3.73Å; Y62-I283 HydrophobicContact CG-CD1 3.85Å; Y62-I283 HydrophobicContact CG-CG1 4.05Å
63K90.8Very high91.8Very high102 Ų10226.2 Ų26.244%0.44314%0.144SC..SBendtrans-73.1136.4178.3-69.8176.6179.7-178.60113.1D86 V88 P90K63-D86 WeakPolarHBondContact CA-OD1 3.31Å; K63-D86 VanDerWaalsContact CG-O 3.3Å; K63-D86 WeakPolarHBondContact CG-O 3.3Å; K63-V88 PolarHBondContact N-O 3.49Å; K63-P90 HydrophobicContact CB-CG 4.45Å; K63-P90 WeakPolarHBondContact O-CG 3.4Å
64G88.4Confident91.5Very high27 Ų2730.1 Ų30.128%0.27818%0.177SC..SBendtrans66.8-166-177.400000113.2D66 K71 D86G64-D66 VanDerWaalsContact C-N 3.26Å; G64-D66 PolarHBondContact O-N 3.09Å; G64-K71 PolarHBondContact O-NZ 2.98Å; G64-D86 PolarHBondContact N-OD1 2.7Å
65L88.2Confident91.3Very high6 Ų637.3 Ų37.33%0.03121%0.21CC..  trans55.743.3-172.2-70.3-176.5000111.7I68 T69 E259 L260 F263 I283L65-I68 HydrophobicContact CB-CG2 3.59Å; L65-I68 HydrophobicContact CD1-CG2 4.32Å; L65-I68 HydrophobicContact CD2-CG2 3.92Å; L65-I68 HydrophobicContact CG-CG2 4.14Å; L65-T69 HydrophobicContact CB-CG2 4.25Å; L65-T69 VanDerWaalsContact O-CB 3.3Å; L65-T69 WeakPolarHBondContact O-CB 3.23Å; L65-T69 VanDerWaalsContact O-CG2 3.31Å; L65-T69 WeakPolarHBondContact O-CG2 3.48Å; L65-T69 PolarHBondContact O-N 2.86Å; L65-T69 PolarHBondContact O-OG1 2.92Å; L65-E259 VanDerWaalsContact C-OE1 3.27Å; L65-E259 VanDerWaalsContact CA-CD 3.44Å; L65-E259 WeakPolarHBondContact CA-OE1 3.29Å; L65-E259 HydrophobicContact CD2-CG 3.85Å; L65-L260 HydrophobicContact CD2-CD2 4.43Å; L65-F263 HydrophobicContact CD1-CD1 4.17Å; L65-F263 HydrophobicContact CD1-CD2 3.71Å; L65-F263 HydrophobicContact CD1-CE1 4.15Å; L65-F263 HydrophobicContact CD1-CE2 3.69Å; L65-F263 HydrophobicContact CD1-CG 3.95Å; L65-F263 HydrophobicContact CD1-CZ 3.93Å; L65-F263 HydrophobicContact CD2-CB 3.63Å; L65-F263 HydrophobicContact CD2-CD1 4.37Å; L65-F263 HydrophobicContact CD2-CD2 3.83Å; L65-F263 HydrophobicContact CD2-CG 3.68Å; L65-F263 HydrophobicContact CG-CB 4.33Å; L65-F263 HydrophobicContact CG-CD2 3.54Å; L65-F263 HydrophobicContact CG-CE2 3.96Å; L65-F263 HydrophobicContact CG-CG 3.9Å; L65-I283 HydrophobicContact CD1-CD1 4.16Å; L65-I283 HydrophobicContact CD1-CG1 3.6Å
66D92.3Very high91Very high76 Ų7640 Ų4041%0.40622%0.222SC..THydrogen-bonded Turntrans-70.5-41.4-171.6-63-12.8000111.6G64 N70 K71 E259G64-D66 VanDerWaalsContact C-N 3.26Å; G64-D66 PolarHBondContact O-N 3.09Å; D66-N70 WeakPolarHBondContact O-CA 3.41Å; D66-N70 PolarHBondContact O-N 2.72Å; D66-K71 HydrophobicContact CB-CD 4.43Å; D66-K71 PolarHBondContact O-N 3.4Å; D66-K71 WeakPolarHBondContact OD1-CD 3.31Å; D66-K71 WeakPolarHBondContact OD1-CE 3.31Å; D66-K71 IonicContact OD1-NZ 2.66Å; D66-K71 PolarHBondContact OD1-NZ 3.37Å; D66-E259 PolarHBondContact N-OE1 2.95Å
67I92.1Very high90.8Very high37 Ų3745.5 Ų45.519%0.1924%0.243CC..THydrogen-bonded Turntrans-67.8-52.9179.4-57173.4000108.8T69 N70 M251 T254 L256 E259I67-T69 PolarHBondContact O-N 3.47Å; I67-N70 WeakPolarHBondContact O-CA 3.14Å; I67-N70 PolarHBondContact O-N 3.35Å; I67-M251 HydrophobicContact CG2-CB 3.9Å; I67-M251 HydrophobicContact CG2-CG 4.1Å; I67-M251 VanDerWaalsContact O-CE 3.24Å; I67-M251 WeakPolarHBondContact O-CE 3.47Å; I67-T254 HydrophobicContact CD1-CG2 4.13Å; I67-T254 HydrophobicContact CG1-CG2 4.41Å; I67-L256 HydrophobicContact CG2-CB 4.13Å; I67-L256 HydrophobicContact CG2-CD1 4.2Å; I67-E259 WeakPolarHBondContact CB-OE2 3.23Å; I67-E259 HydrophobicContact CD1-CB 4.35Å; I67-E259 PolarHBondContact N-OE1 2.93Å; I67-E259 PolarHBondContact N-OE2 3.48Å
68I91.3Very high90.7Very high14 Ų1448.8 Ų48.87%0.07227%0.273CS..THydrogen-bonded Turntrans-67.4-36.6-174.6-157.6165.1000113.5L65 M251 L256 E259 L260 I287 G288L65-I68 HydrophobicContact CB-CG2 3.59Å; L65-I68 HydrophobicContact CD1-CG2 4.32Å; L65-I68 HydrophobicContact CD2-CG2 3.92Å; L65-I68 HydrophobicContact CG-CG2 4.14Å; I68-M251 HydrophobicContact CB-CE 4.49Å; I68-M251 HydrophobicContact CG1-CE 4.42Å; I68-L256 HydrophobicContact CB-CD1 3.58Å; I68-L256 HydrophobicContact CD1-CD1 3.89Å; I68-L256 HydrophobicContact CG1-CD1 3.75Å; I68-E259 PolarHBondContact N-OE2 3.48Å; I68-L260 HydrophobicContact CD1-CD1 4.1Å; I68-L260 HydrophobicContact CD1-CD2 3.44Å; I68-L260 VanDerWaalsContact CD1-CD2 3.44Å; I68-L260 HydrophobicContact CD1-CG 4.04Å; I68-I287 WeakPolarHBondContact CG1-O 3.44Å; I68-G288 VanDerWaalsContact CD1-CA 3.48Å
69T90Very high90.8Very high14 Ų1451.6 Ų51.69%0.08628%0.283CS..THydrogen-bonded Turntrans-85.4-1175.366.60000112.8M59 Q60 L65 I67 K71 I283M59-T69 HydrophobicContact CB-CG2 3.8Å; Q60-T69 PolarHBondContact NE2-O 3.31Å; L65-T69 HydrophobicContact CB-CG2 4.25Å; L65-T69 VanDerWaalsContact O-CB 3.3Å; L65-T69 WeakPolarHBondContact O-CB 3.23Å; L65-T69 VanDerWaalsContact O-CG2 3.31Å; L65-T69 WeakPolarHBondContact O-CG2 3.48Å; L65-T69 PolarHBondContact O-N 2.86Å; L65-T69 PolarHBondContact O-OG1 2.92Å; I67-T69 PolarHBondContact O-N 3.47Å; T69-K71 VanDerWaalsContact C-N 3.31Å; T69-K71 PolarHBondContact O-N 2.95Å; T69-K71 WeakPolarHBondContact OG1-CE 3.41Å; T69-K71 WeakPolarHBondContact OG1-CG 3.4Å; T69-I283 HydrophobicContact CG2-CD1 4.2Å
70N91Very high90.9Very high53 Ų5350.6 Ų50.628%0.28328%0.279SS..THydrogen-bonded Turntrans49.252.9178.6-172.596.2000111.5Q60 D66 I67 R247Q60-N70 PolarHBondContact NE2-O 2.76Å; D66-N70 WeakPolarHBondContact O-CA 3.41Å; D66-N70 PolarHBondContact O-N 2.72Å; I67-N70 WeakPolarHBondContact O-CA 3.14Å; I67-N70 PolarHBondContact O-N 3.35Å; N70-R247 PolarHBondContact ND2-NH1 3Å; N70-R247 PolarHBondContact ND2-NH2 3.32Å; N70-R247 PolarHBondContact OD1-NE 3.45Å; N70-R247 PolarHBondContact OD1-NH1 3.33Å; N70-R247 PolarHBondContact OD1-NH2 2.95Å
71K92.3Very high90.9Very high24 Ų2451.9 Ų51.910%0.10429%0.293CS..PPolyproline II helixtrans-65.6154.4172.3-65.9-174.8-163.9155.10109.5Q60 Y62 G64 D66 T69 D86Q60-K71 HydrophobicContact CB-CG 4.26Å; Q60-K71 HydrophobicContact CG-CG 4.17Å; Y62-K71 VanDerWaalsContact O-CE 3.31Å; Y62-K71 WeakPolarHBondContact O-CE 3.44Å; Y62-K71 PolarHBondContact O-NZ 3.11Å; G64-K71 PolarHBondContact O-NZ 2.98Å; D66-K71 HydrophobicContact CB-CD 4.43Å; D66-K71 PolarHBondContact O-N 3.4Å; D66-K71 WeakPolarHBondContact OD1-CD 3.31Å; D66-K71 WeakPolarHBondContact OD1-CE 3.31Å; D66-K71 IonicContact OD1-NZ 2.66Å; D66-K71 PolarHBondContact OD1-NZ 3.37Å; T69-K71 VanDerWaalsContact C-N 3.31Å; T69-K71 PolarHBondContact O-N 2.95Å; T69-K71 WeakPolarHBondContact OG1-CE 3.41Å; T69-K71 WeakPolarHBondContact OG1-CG 3.4Å; K71-D86 IonicContact NZ-OD1 3.63Å; K71-D86 PolarHBondContact NZ-OD1 3.26Å
72V90.6Very high91Very high12 Ų1252.9 Ų52.97%0.07330%0.298CS..PPolyproline II helixtrans-63.1139.7172.3-72.80000110.1E76 R77 L85V72-E76 VanDerWaalsContact CA-OE2 3.23Å; V72-E76 WeakPolarHBondContact CA-OE2 3.32Å; V72-E76 HydrophobicContact CB-CB 4.07Å; V72-E76 WeakPolarHBondContact CB-OE2 3.33Å; V72-R77 HydrophobicContact CB-CG 4.3Å; V72-R77 HydrophobicContact CG2-CG 3.53Å; V72-L85 HydrophobicContact CG2-CD1 3.45Å; V72-L85 VanDerWaalsContact CG2-CD1 3.45Å
73T91Very high91.2Very high70 Ų7054.7 Ų54.743%0.42931%0.306SS..PPolyproline II helixtrans-69.4164.6-178.8690000111.2E75 E76 R77T73-E75 PolarHBondContact O-N 2.96Å; T73-E76 PolarHBondContact N-OE2 3.35Å; T73-E76 PolarHBondContact O-N 3.36Å; T73-E76 WeakPolarHBondContact OG1-CG 3.23Å; T73-E76 PolarHBondContact OG1-N 2.94Å; T73-R77 VanDerWaalsContact O-CG 3.31Å; T73-R77 WeakPolarHBondContact O-CG 3.41Å; T73-R77 PolarHBondContact O-N 3.33Å
74A89.6Confident91.3Very high83 Ų8350.5 Ų50.569%0.68629%0.289SS*.Hα-helixtrans-58.2-35.1175.100000112.2R77 A78A74-R77 PolarHBondContact O-N 2.9Å; A74-A78 WeakPolarHBondContact O-CB 3.23Å; A74-A78 PolarHBondContact O-N 3.49Å
75E91Very high91.5Very high150 Ų15050.1 Ų50.170%0.70128%0.28SS*.Hα-helixtrans-67.3-41.3176.9-62.4174.6-176.500112T73 A78 Q79T73-E75 PolarHBondContact O-N 2.96Å; E75-A78 PolarHBondContact O-N 3.43Å; E75-Q79 WeakPolarHBondContact O-CG 3.4Å; E75-Q79 PolarHBondContact O-N 2.79Å; E75-Q79 PolarHBondContact O-NE2 2.75Å
76E90.1Very high91.6Very high61 Ų6152.5 Ų52.529%0.28529%0.293SS..Hα-helixtrans-67.4-37.1174.3-73.9-179.7143.300111.8I43 V72 T73 A78 Q79I43-E76 HydrophobicContact CD1-CB 3.72Å; I43-E76 HydrophobicContact CD1-CG 4.04Å; V72-E76 VanDerWaalsContact CA-OE2 3.23Å; V72-E76 WeakPolarHBondContact CA-OE2 3.32Å; V72-E76 HydrophobicContact CB-CB 4.07Å; V72-E76 WeakPolarHBondContact CB-OE2 3.33Å; T73-E76 PolarHBondContact N-OE2 3.35Å; T73-E76 PolarHBondContact O-N 3.36Å; T73-E76 WeakPolarHBondContact OG1-CG 3.23Å; T73-E76 PolarHBondContact OG1-N 2.94Å; E76-A78 VanDerWaalsContact C-N 3.33Å; E76-Q79 WeakPolarHBondContact O-CB 3.37Å; E76-Q79 PolarHBondContact O-N 3.32Å
77R90.1Very high91.5Very high116 Ų11652.1 Ų52.144%0.43829%0.288SS..Hα-helixtrans-68.3-31174.9-69.7176.369.5-1773112.7V72 T73 A74 Q79 C80V72-R77 HydrophobicContact CB-CG 4.3Å; V72-R77 HydrophobicContact CG2-CG 3.53Å; T73-R77 VanDerWaalsContact O-CG 3.31Å; T73-R77 WeakPolarHBondContact O-CG 3.41Å; T73-R77 PolarHBondContact O-N 3.33Å; A74-R77 PolarHBondContact O-N 2.9Å; R77-Q79 PolarHBondContact O-N 2.82Å; R77-C80 CarbonylContact O-C 3.51Å
78A89.9Confident91.4Very high91 Ų9150.8 Ų50.875%0.75228%0.281SS*.Hα-helixtrans-69.6-25.9174.900000112.2A74 E75 E76A74-A78 WeakPolarHBondContact O-CB 3.23Å; A74-A78 PolarHBondContact O-N 3.49Å; E75-A78 PolarHBondContact O-N 3.43Å; E76-A78 VanDerWaalsContact C-N 3.33Å
79Q91.2Very high91.2Very high88 Ų8853.3 Ų53.341%0.41130%0.295SS..Hα-helixtrans-78.1-28.8-179.6-72.2171.251.300113.8I43 E75 E76 R77I43-Q79 HydrophobicContact CG2-CB 3.87Å; E75-Q79 WeakPolarHBondContact O-CG 3.4Å; E75-Q79 PolarHBondContact O-N 2.79Å; E75-Q79 PolarHBondContact O-NE2 2.75Å; E76-Q79 WeakPolarHBondContact O-CB 3.37Å; E76-Q79 PolarHBondContact O-N 3.32Å; R77-Q79 PolarHBondContact O-N 2.82Å
80C91.8Very high90.9Very high10 Ų1052.8 Ų52.87%0.06829%0.292CS..SBendtrans-155.6138.7178.6-171.10000109.8I43 G51 I53 R77 H82I43-C80 HydrophobicContact CG1-CB 4.42Å; I43-C80 HydrophobicContact CG2-CB 4.35Å; G51-C80 PolarHBondContact O-SG 3.44Å; G51-C80 VanDerWaalsContact O-SG 3.35Å; I53-C80 HydrophobicContact CD1-CB 3.89Å; I53-C80 VanDerWaalsContact CD1-SG 3.58Å; R77-C80 CarbonylContact O-C 3.51Å; C80-H82 PolarHBondContact O-CE1 3.08Å; C80-H82 PolarHBondContact O-N 2.85Å; C80-H82 PolarHBondContact O-ND1 3.41Å
81A93.6Very high90.5Very high47 Ų4754.5 Ų54.539%0.38830%0.3SS..  trans-62.7128.6179.500000110.7E52 I53E52-A81 HydrophobicContact CB-CB 4.48Å; E52-A81 HydrophobicContact CG-CB 4.12Å; I53-A81 PolarHBondContact N-O 3.45Å
82H94.7Very high90Very high21 Ų2155.9 Ų55.910%0.09731%0.311CS..EExtended strand (participates in β ladder)trans-118130.2176.5-70.675.8000110.9I53 C80 L85I53-H82 WeakPolarHBondContact CD1-NE2 3.19Å; I53-H82 CarbonylContact O-C 3.47Å; I53-H82 WeakPolarHBondContact O-CA 3.2Å; C80-H82 PolarHBondContact O-CE1 3.08Å; C80-H82 PolarHBondContact O-N 2.85Å; C80-H82 PolarHBondContact O-ND1 3.41Å; H82-L85 HydrophobicContact CB-CD1 3.61Å
83H94.6Very high89.2Confident46 Ų4660.1 Ų60.121%0.21333%0.326CS..EExtended strand (participates in β ladder)trans-111.7166.6177.6-57.7-86.9000110.8E52 I53 I54 S55 L85 L107 M111E52-H83 IonicContact OE2-CD2 3.8Å; E52-H83 IonicContact OE2-CE1 2.77Å; E52-H83 IonicContact OE2-NE2 3.78Å; E52-H83 PolarHBondContact OE2-NE2 3.03Å; I53-H83 PolarHBondContact O-CD2 3.3Å; I53-H83 PolarHBondContact O-N 2.86Å; I54-H83 HydrophobicContact CG1-CB 4.43Å; S55-H83 PolarHBondContact N-O 3.19Å; S55-H83 VanDerWaalsContact N-O 3.07Å; H83-L85 VanDerWaalsContact C-N 3.29Å; H83-L85 PolarHBondContact O-N 3.01Å; H83-L107 HydrophobicContact CB-CD1 3.82Å; H83-M111 WeakPolarHBondContact CD2-CE 3.43Å; H83-M111 VanDerWaalsContact NE2-CE 3.32Å; H83-M111 WeakPolarHBondContact NE2-CE 3.39Å
84M93Very high88.5Confident15 Ų1561.9 Ų61.97%0.07434%0.337CS..SBendtrans59.934.8179-57.1-63.9-77.600114.1I54 S55 F87 Y95 F100 K103 L107I54-M84 HydrophobicContact CG2-CB 4.28Å; I54-M84 HydrophobicContact CG2-CG 3.72Å; S55-M84 WeakPolarHBondContact O-CB 3.33Å; M84-F87 HydrophobicContact CB-CE1 4.15Å; M84-F87 HydrophobicContact CE-CE1 4.2Å; M84-F87 HydrophobicContact CE-CZ 3.76Å; M84-F87 HydrophobicContact SD-CE1 4.08Å; M84-F87 HydrophobicContact SD-CZ 4.01Å; M84-Y95 VanDerWaalsContact CE-OH 3.31Å; M84-Y95 WeakPolarHBondContact CE-OH 3.35Å; M84-F100 HydrophobicContact CB-CE2 4.37Å; M84-F100 HydrophobicContact CE-CB 4.5Å; M84-F100 HydrophobicContact CE-CD2 3.36Å; M84-F100 HydrophobicContact CE-CE2 3.75Å; M84-F100 HydrophobicContact CE-CG 4.19Å; M84-F100 HydrophobicContact CG-CE2 4.31Å; M84-K103 HydrophobicContact CE-CB 3.85Å; M84-K103 HydrophobicContact SD-CB 3.95Å; M84-L107 HydrophobicContact CG-CD1 3.82Å; M84-L107 HydrophobicContact SD-CD1 3.79Å
85L92.8Very high88.2Confident18 Ų1859.4 Ų59.49%0.09431%0.31CS..SBendtrans-119.5142.5173.9-65175.5000110.3S55 Q60 V72 H82 H83 F87S55-L85 VanDerWaalsContact CB-CD2 3.41Å; Q60-L85 HydrophobicContact CB-CD2 3.69Å; V72-L85 HydrophobicContact CG2-CD1 3.45Å; V72-L85 VanDerWaalsContact CG2-CD1 3.45Å; H82-L85 HydrophobicContact CB-CD1 3.61Å; H83-L85 VanDerWaalsContact C-N 3.29Å; H83-L85 PolarHBondContact O-N 3.01Å; L85-F87 PolarHBondContact O-N 3.46Å
86D90.9Very high88Confident56 Ų5655.2 Ų55.230%0.29929%0.294SS..SBendtrans57.138.2162.2-155.656.2000115.6Q60 K63 G64 K71Q60-D86 PolarHBondContact O-N 3.02Å; K63-D86 WeakPolarHBondContact CA-OD1 3.31Å; K63-D86 VanDerWaalsContact CG-O 3.3Å; K63-D86 WeakPolarHBondContact CG-O 3.3Å; G64-D86 PolarHBondContact N-OD1 2.7Å; K71-D86 IonicContact NZ-OD1 3.63Å; K71-D86 PolarHBondContact NZ-OD1 3.26Å
87F90.8Very high87.7Confident68 Ų6853.3 Ų53.330%0.29829%0.287SS..  trans-120.5-21.4-175.869.3-86.1000114.4V61 M84 L85 Y95 K103V61-F87 HydrophobicContact CB-CD1 4.43Å; V61-F87 HydrophobicContact CB-CE1 3.68Å; V61-F87 HydrophobicContact CB-CZ 3.97Å; V61-F87 HydrophobicContact CG1-CE1 3.79Å; V61-F87 HydrophobicContact CG1-CZ 4.06Å; V61-F87 PolarHBondContact O-N 3.16Å; M84-F87 HydrophobicContact CB-CE1 4.15Å; M84-F87 HydrophobicContact CE-CE1 4.2Å; M84-F87 HydrophobicContact CE-CZ 3.76Å; M84-F87 HydrophobicContact SD-CE1 4.08Å; M84-F87 HydrophobicContact SD-CZ 4.01Å; L85-F87 PolarHBondContact O-N 3.46Å; F87-Y95 AromaticContact CE2-CE2 3.91Å; F87-Y95 HydrophobicContact CE2-CE2 3.91Å; F87-Y95 HydrophobicContact CZ-CE2 4.13Å; F87-Y95 AromaticContact CZ-CZ 3.83Å; F87-Y95 WeakPolarHBondContact CZ-OH 3.3Å; F87-K103 HydrophobicContact CE2-CD 4.1Å
88V89.3Confident87.5Confident9 Ų949.7 Ų49.76%0.05528%0.277CS..BIsolated β-bridgetrans-87.2132.2179-176.40000109.9V61 Y62 K63 V92 Y95V61-V88 HydrophobicContact CB-CG2 3.94Å; V61-V88 HydrophobicContact CG2-CB 4.39Å; V61-V88 HydrophobicContact CG2-CG2 3.95Å; V61-V88 WeakPolarHBondContact O-CB 3.32Å; V61-V88 PolarHBondContact O-N 2.94Å; Y62-V88 CarbonylContact C-O 3.5Å; Y62-V88 VanDerWaalsContact CA-O 3.3Å; Y62-V88 WeakPolarHBondContact CA-O 3.33Å; Y62-V88 HydrophobicContact CD1-CB 3.96Å; Y62-V88 HydrophobicContact CD1-CG1 3.65Å; Y62-V88 HydrophobicContact CE1-CB 4.24Å; Y62-V88 HydrophobicContact CE1-CG1 3.49Å; Y62-V88 VanDerWaalsContact CE1-CG1 3.49Å; Y62-V88 HydrophobicContact CG-CB 4.37Å; Y62-V88 HydrophobicContact CG-CG1 4.47Å; K63-V88 PolarHBondContact N-O 3.49Å; V88-V92 HydrophobicContact CG1-CB 3.91Å; V88-V92 HydrophobicContact CG1-CG1 4.08Å; V88-Y95 HydrophobicContact CG1-CD2 4.42Å; V88-Y95 HydrophobicContact CG1-CG 4.41Å; V88-Y95 HydrophobicContact CG2-CD1 4.46Å; V88-Y95 HydrophobicContact CG2-CD2 3.69Å; V88-Y95 HydrophobicContact CG2-CE2 3.83Å; V88-Y95 HydrophobicContact CG2-CG 4.03Å
89D87.1Confident87.4Confident68 Ų6848.4 Ų48.436%0.36426%0.258SS..  trans-66.8136.4175.1-172.6-64.6000111L91 V92D89-L91 PolarHBondContact O-N 3.2Å; D89-L91 WeakPolarHBondContact OD1-CB 3.5Å; D89-L91 PolarHBondContact OD1-N 3.43Å; D89-V92 HydrophobicContact CB-CG2 3.93Å; D89-V92 WeakPolarHBondContact O-CB 3.44Å; D89-V92 PolarHBondContact O-N 2.97Å
90P84.6Confident87.4Confident3 Ų344.2 Ų44.22%0.01924%0.238CC..THydrogen-bonded Turntrans-52.8-27.3178.5-3139.6000115.4K63 F263 Y267 I283K63-P90 HydrophobicContact CB-CG 4.45Å; K63-P90 WeakPolarHBondContact O-CG 3.4Å; P90-F263 HydrophobicContact CB-CE2 3.81Å; P90-F263 HydrophobicContact CB-CZ 4.13Å; P90-F263 HydrophobicContact CG-CE2 4.17Å; P90-Y267 HydrophobicContact CB-CD1 4.38Å; P90-Y267 HydrophobicContact CB-CD2 4.48Å; P90-Y267 HydrophobicContact CB-CE1 4.36Å; P90-Y267 HydrophobicContact CB-CE2 4.47Å; P90-Y267 HydrophobicContact CB-CG 4.43Å; P90-Y267 HydrophobicContact CG-CE1 4.42Å; P90-Y267 HydrophobicContact CG-CE2 4.22Å; P90-I283 HydrophobicContact CB-CG2 4.03Å; P90-I283 WeakPolarHBondContact O-CG2 3.48Å
91L81Confident87.4Confident88 Ų8844.9 Ų44.946%0.46124%0.239SC..THydrogen-bonded Turntrans-83-16-179.2-62.9178.1000113D89 R93 Y267D89-L91 PolarHBondContact O-N 3.2Å; D89-L91 WeakPolarHBondContact OD1-CB 3.5Å; D89-L91 PolarHBondContact OD1-N 3.43Å; L91-R93 PolarHBondContact O-N 3.3Å; L91-Y267 HydrophobicContact CD1-CD1 4.26Å; L91-Y267 HydrophobicContact CD1-CE1 4.5Å; L91-Y267 HydrophobicContact CD2-CD1 3.87Å; L91-Y267 HydrophobicContact CG-CD1 3.91Å; L91-Y267 HydrophobicContact CG-CE1 4.32Å
92V82.2Confident87.2Confident54 Ų5445.9 Ų45.933%0.32724%0.238SC..  trans-68.3117.5176.4173.50000109.1Y62 V88 D89Y62-V92 WeakPolarHBondContact CE1-O 3.32Å; V88-V92 HydrophobicContact CG1-CB 3.91Å; V88-V92 HydrophobicContact CG1-CG1 4.08Å; D89-V92 HydrophobicContact CB-CG2 3.93Å; D89-V92 WeakPolarHBondContact O-CB 3.44Å; D89-V92 PolarHBondContact O-N 2.97Å
93R73.8Confident87.1Confident101 Ų10149.5 Ų49.538%0.38125%0.254SS..  trans-96.9-11.8-179.6-58.8-167.1-169.8-162.26.1113.7L91 D278 H281L91-R93 PolarHBondContact O-N 3.3Å; R93-D278 IonicContact NH1-OD2 3.64Å; R93-D278 PolarHBondContact NH1-OD2 2.87Å; R93-H281 HydrophobicContact CB-CB 4.3Å; R93-H281 HydrophobicContact CG-CB 4.49Å
94T76.7Confident87.1Confident107 Ų10747.3 Ų47.366%0.65624%0.244SC*.  trans-101.22.8-166500000113.9T96T94-T96 WeakPolarHBondContact O-CG2 3.19Å; T94-T96 PolarHBondContact O-N 3.16Å; T94-T96 VanDerWaalsContact O-N 3.08Å
95Y83.8Confident87Confident31 Ų3148.4 Ų48.412%0.12225%0.249CC..  trans-65.2114.2-178.5-166.3-97.4000111.2V61 M84 F87 V88 D99 F100V61-Y95 HydrophobicContact CB-CE1 4.42Å; V61-Y95 HydrophobicContact CG1-CE1 4.22Å; V61-Y95 HydrophobicContact CG2-CD1 4.04Å; V61-Y95 HydrophobicContact CG2-CE1 4.06Å; M84-Y95 VanDerWaalsContact CE-OH 3.31Å; M84-Y95 WeakPolarHBondContact CE-OH 3.35Å; F87-Y95 AromaticContact CE2-CE2 3.91Å; F87-Y95 HydrophobicContact CE2-CE2 3.91Å; F87-Y95 HydrophobicContact CZ-CE2 4.13Å; F87-Y95 AromaticContact CZ-CZ 3.83Å; F87-Y95 WeakPolarHBondContact CZ-OH 3.3Å; V88-Y95 HydrophobicContact CG1-CD2 4.42Å; V88-Y95 HydrophobicContact CG1-CG 4.41Å; V88-Y95 HydrophobicContact CG2-CD1 4.46Å; V88-Y95 HydrophobicContact CG2-CD2 3.69Å; V88-Y95 HydrophobicContact CG2-CE2 3.83Å; V88-Y95 HydrophobicContact CG2-CG 4.03Å; Y95-D99 HydrophobicContact CD2-CB 4Å; Y95-D99 HydrophobicContact CE2-CB 3.67Å; Y95-F100 HydrophobicContact CE1-CB 4.07Å; Y95-F100 VanDerWaalsContact OH-CA 3.24Å; Y95-F100 WeakPolarHBondContact OH-CA 3.46Å; Y95-F100 PolarHBondContact OH-N 3.1Å
96T85.3Confident87.1Confident62 Ų6253.8 Ų53.838%0.3827%0.274SS..  trans-107.3171.6-172.971.90000112.5T94 V98 D99 F100T94-T96 WeakPolarHBondContact O-CG2 3.19Å; T94-T96 PolarHBondContact O-N 3.16Å; T94-T96 VanDerWaalsContact O-N 3.08Å; T96-V98 PolarHBondContact O-N 3.46Å; T96-V98 PolarHBondContact OG1-N 2.93Å; T96-D99 WeakPolarHBondContact CB-OD2 3.5Å; T96-D99 PolarHBondContact N-OD2 3.03Å; T96-D99 PolarHBondContact O-N 3.41Å; T96-D99 PolarHBondContact OG1-N 2.93Å; T96-D99 PolarHBondContact OG1-OD2 3.44Å; T96-F100 PolarHBondContact O-N 3.09Å
97V85.3Confident87.2Confident20 Ų2053 Ų5312%0.12127%0.27CS..Hα-helixtrans-65.1-25.3171610000112.5R101 Y126 Y127 S130 L137V97-R101 WeakPolarHBondContact O-CB 3.33Å; V97-R101 PolarHBondContact O-N 3.06Å; V97-Y126 HydrophobicContact CB-CD1 4.23Å; V97-Y126 HydrophobicContact CB-CE1 4.06Å; V97-Y126 HydrophobicContact CG1-CD1 4.36Å; V97-Y126 HydrophobicContact CG1-CE1 3.7Å; V97-Y126 HydrophobicContact CG2-CD1 4Å; V97-Y126 HydrophobicContact CG2-CE1 4.06Å; V97-Y127 HydrophobicContact CB-CD1 3.94Å; V97-Y127 HydrophobicContact CB-CE1 3.74Å; V97-Y127 HydrophobicContact CG2-CD1 3.54Å; V97-Y127 HydrophobicContact CG2-CE1 3.9Å; V97-Y127 HydrophobicContact CG2-CG 4.47Å; V97-S130 WeakPolarHBondContact CG2-OG 3.44Å; V97-L137 HydrophobicContact CB-CD1 4.01Å; V97-L137 HydrophobicContact CG1-CD1 3.44Å; V97-L137 VanDerWaalsContact CG1-CD1 3.44Å; V97-L137 HydrophobicContact CG1-CD2 3.64Å; V97-L137 HydrophobicContact CG1-CG 4.19Å; V97-L137 HydrophobicContact CG2-CD1 3.59Å
98V85.3Confident87.4Confident40 Ų4049.8 Ų49.824%0.24226%0.256CS..Hα-helixtrans-71-44177.7-179.50000109.7T96 F100 R101 N102 L137T96-V98 PolarHBondContact O-N 3.46Å; T96-V98 PolarHBondContact OG1-N 2.93Å; V98-F100 VanDerWaalsContact C-N 3.32Å; V98-F100 PolarHBondContact O-N 3.04Å; V98-R101 PolarHBondContact O-N 3.02Å; V98-N102 VanDerWaalsContact O-CG 3.27Å; V98-N102 PolarHBondContact O-N 2.86Å; V98-N102 PolarHBondContact O-OD1 3.47Å; V98-L137 HydrophobicContact CG2-CB 4.3Å; V98-L137 HydrophobicContact CG2-CD1 4.17Å; V98-L137 HydrophobicContact CG2-CD2 4.48Å
99D88Confident87.5Confident64 Ų6453.1 Ų53.134%0.34228%0.28SS..Hα-helixtrans-59.6-45.2175.6-55.6-54.8000111.2Y95 T96 K103Y95-D99 HydrophobicContact CD2-CB 4Å; Y95-D99 HydrophobicContact CE2-CB 3.67Å; T96-D99 WeakPolarHBondContact CB-OD2 3.5Å; T96-D99 PolarHBondContact N-OD2 3.03Å; T96-D99 PolarHBondContact O-N 3.41Å; T96-D99 PolarHBondContact OG1-N 2.93Å; T96-D99 PolarHBondContact OG1-OD2 3.44Å; D99-K103 PolarHBondContact O-N 2.92Å; D99-K103 VanDerWaalsContact O-N 3.17Å
100F91.9Very high87.8Confident0 Ų053.1 Ų53.10%028%0.28CS..Hα-helixtrans-58.8-50.7174.3173.8-92.8000111.9S55 A56 M84 Y95 T96 V98 N102 A104 Y127 L131S55-F100 WeakPolarHBondContact O-CE2 3.41Å; A56-F100 HydrophobicContact CB-CE1 4.44Å; A56-F100 HydrophobicContact CB-CE2 4.44Å; A56-F100 HydrophobicContact CB-CZ 3.76Å; M84-F100 HydrophobicContact CB-CE2 4.37Å; M84-F100 HydrophobicContact CE-CB 4.5Å; M84-F100 HydrophobicContact CE-CD2 3.36Å; M84-F100 HydrophobicContact CE-CE2 3.75Å; M84-F100 HydrophobicContact CE-CG 4.19Å; M84-F100 HydrophobicContact CG-CE2 4.31Å; Y95-F100 HydrophobicContact CE1-CB 4.07Å; Y95-F100 VanDerWaalsContact OH-CA 3.24Å; Y95-F100 WeakPolarHBondContact OH-CA 3.46Å; Y95-F100 PolarHBondContact OH-N 3.1Å; T96-F100 PolarHBondContact O-N 3.09Å; V98-F100 VanDerWaalsContact C-N 3.32Å; V98-F100 PolarHBondContact O-N 3.04Å; F100-N102 PolarHBondContact O-N 3.26Å; F100-A104 HydrophobicContact CE1-CB 4.22Å; F100-A104 HydrophobicContact CE2-CB 4.48Å; F100-A104 HydrophobicContact CZ-CB 4.12Å; F100-A104 WeakPolarHBondContact O-CB 3.41Å; F100-A104 PolarHBondContact O-N 3.33Å; F100-Y127 HydrophobicContact CB-CD2 4.08Å; F100-Y127 HydrophobicContact CB-CE2 3.92Å; F100-Y127 HydrophobicContact CB-CG 4.48Å; F100-Y127 HydrophobicContact CD1-CD1 4.45Å; F100-Y127 AromaticContact CD1-CD2 3.67Å; F100-Y127 HydrophobicContact CD1-CD2 3.67Å; F100-Y127 HydrophobicContact CD1-CE2 4.38Å; F100-Y127 AromaticContact CD1-CG 3.7Å; F100-Y127 HydrophobicContact CD1-CG 3.7Å; F100-Y127 AromaticContact CD2-CD2 3.53Å; F100-Y127 HydrophobicContact CD2-CD2 3.53Å; F100-Y127 AromaticContact CD2-CE2 3.78Å; F100-Y127 HydrophobicContact CD2-CE2 3.78Å; F100-Y127 HydrophobicContact CD2-CG 4.39Å; F100-Y127 HydrophobicContact CE1-CD2 4Å; F100-Y127 HydrophobicContact CE1-CG 4.04Å; F100-Y127 AromaticContact CE2-CD2 3.88Å; F100-Y127 HydrophobicContact CE2-CD2 3.88Å; F100-Y127 HydrophobicContact CE2-CE2 4.48Å; F100-Y127 AromaticContact CG-CD2 3.44Å; F100-Y127 HydrophobicContact CG-CD2 3.44Å; F100-Y127 VanDerWaalsContact CG-CD2 3.44Å; F100-Y127 AromaticContact CG-CE2 3.74Å; F100-Y127 HydrophobicContact CG-CE2 3.74Å; F100-Y127 AromaticContact CG-CG 3.91Å; F100-Y127 HydrophobicContact CG-CG 3.91Å; F100-Y127 HydrophobicContact CZ-CD2 4.11Å; F100-L131 HydrophobicContact CE1-CD1 3.66Å; F100-L131 HydrophobicContact CE1-CD2 4.47Å; F100-L131 HydrophobicContact CE1-CG 3.98Å; F100-L131 HydrophobicContact CZ-CD1 4.03Å
101R90.4Very high88.2Confident24 Ų2453 Ų539%0.09128%0.279CS..Hα-helixtrans-56.3-53.6-179.1178.2-166.867.7174.72.2110.4V97 V98 K103 A104 L105 L131 D138V97-R101 WeakPolarHBondContact O-CB 3.33Å; V97-R101 PolarHBondContact O-N 3.06Å; V98-R101 PolarHBondContact O-N 3.02Å; R101-K103 PolarHBondContact O-N 3.15Å; R101-A104 PolarHBondContact O-N 3.2Å; R101-L105 HydrophobicContact CG-CD1 3.81Å; R101-L105 HydrophobicContact CG-CG 4.27Å; R101-L105 WeakPolarHBondContact O-CB 3.39Å; R101-L105 WeakPolarHBondContact O-CG 3.31Å; R101-L105 PolarHBondContact O-N 3.1Å; R101-L131 HydrophobicContact CG-CD2 4.41Å; R101-D138 IonicContact CZ-OD1 3.51Å; R101-D138 IonicContact NH1-OD1 2.77Å; R101-D138 PolarHBondContact NH1-OD1 2.98Å
102N90.1Very high88.7Confident69 Ų6952.2 Ų52.237%0.36927%0.272SS..Hα-helixtrans-61.4-47.5-173.9-64.6-5000110.9V98 F100 A104 L105 E106V98-N102 VanDerWaalsContact O-CG 3.27Å; V98-N102 PolarHBondContact O-N 2.86Å; V98-N102 PolarHBondContact O-OD1 3.47Å; F100-N102 PolarHBondContact O-N 3.26Å; N102-A104 PolarHBondContact O-N 3.36Å; N102-L105 PolarHBondContact O-N 3.48Å; N102-E106 WeakPolarHBondContact O-CG 3.45Å; N102-E106 PolarHBondContact O-N 3.35Å; N102-E106 VanDerWaalsContact O-N 3.1Å
103K92.7Very high89.1Confident97 Ų9753.8 Ų53.842%0.42229%0.286SS..Hα-helixtrans-62.6-43.8176.4-74.7-175.2174.6-62.70113.2M84 F87 D99 R101 L105 E106 L107M84-K103 HydrophobicContact CE-CB 3.85Å; M84-K103 HydrophobicContact SD-CB 3.95Å; F87-K103 HydrophobicContact CE2-CD 4.1Å; D99-K103 PolarHBondContact O-N 2.92Å; D99-K103 VanDerWaalsContact O-N 3.17Å; R101-K103 PolarHBondContact O-N 3.15Å; K103-L105 VanDerWaalsContact C-N 3.33Å; K103-L105 PolarHBondContact O-N 2.62Å; K103-E106 PolarHBondContact O-N 3.09Å; K103-L107 WeakPolarHBondContact O-CG 3.4Å; K103-L107 PolarHBondContact O-N 3.5Å; K103-L107 VanDerWaalsContact O-N 3.09Å
104A93.8Very high90Very high0 Ų053.7 Ų53.70%029%0.286CS..Hα-helixtrans-68.5-33.2179.700000112.1I54 F100 R101 N102 L107 I108 L131I54-A104 HydrophobicContact CG2-CB 4.22Å; F100-A104 HydrophobicContact CE1-CB 4.22Å; F100-A104 HydrophobicContact CE2-CB 4.48Å; F100-A104 HydrophobicContact CZ-CB 4.12Å; F100-A104 WeakPolarHBondContact O-CB 3.41Å; F100-A104 PolarHBondContact O-N 3.33Å; R101-A104 PolarHBondContact O-N 3.2Å; N102-A104 PolarHBondContact O-N 3.36Å; A104-L107 PolarHBondContact O-N 2.91Å; A104-I108 WeakPolarHBondContact O-CB 3.37Å; A104-I108 WeakPolarHBondContact O-CD1 3.45Å; A104-I108 WeakPolarHBondContact O-CG1 3.45Å; A104-I108 PolarHBondContact O-N 3.39Å; A104-L131 HydrophobicContact CB-CD1 4.1Å; A104-L131 HydrophobicContact CB-CD2 3.77Å
105L92.1Very high90.6Very high37 Ų3755.8 Ų55.819%0.19429%0.293CS..Hα-helixtrans-67.5-40.3174.2-70.4177.7000112.5R101 N102 K103 L107 I108 S109 L131 F225R101-L105 HydrophobicContact CG-CD1 3.81Å; R101-L105 HydrophobicContact CG-CG 4.27Å; R101-L105 WeakPolarHBondContact O-CB 3.39Å; R101-L105 WeakPolarHBondContact O-CG 3.31Å; R101-L105 PolarHBondContact O-N 3.1Å; N102-L105 PolarHBondContact O-N 3.48Å; K103-L105 VanDerWaalsContact C-N 3.33Å; K103-L105 PolarHBondContact O-N 2.62Å; L105-L107 VanDerWaalsContact C-N 3.33Å; L105-I108 PolarHBondContact O-N 3.41Å; L105-S109 WeakPolarHBondContact O-CB 3.37Å; L105-S109 PolarHBondContact O-N 2.98Å; L105-L131 HydrophobicContact CD2-CD2 3.94Å; L105-L131 HydrophobicContact CG-CD2 4.05Å; L105-F225 HydrophobicContact CD2-CE2 4.01Å; L105-F225 HydrophobicContact CD2-CZ 3.72Å
106E93.5Very high90.9Very high131 Ų13157.2 Ų57.261%0.61230%0.3SS*.Hα-helixtrans-58.3-46.5172.4-71.9168.6-170.500111N102 K103 S109 D110N102-E106 WeakPolarHBondContact O-CG 3.45Å; N102-E106 PolarHBondContact O-N 3.35Å; N102-E106 VanDerWaalsContact O-N 3.1Å; K103-E106 PolarHBondContact O-N 3.09Å; E106-S109 WeakPolarHBondContact O-CB 3.46Å; E106-S109 PolarHBondContact O-N 3.41Å; E106-D110 PolarHBondContact O-N 3Å
107L94.6Very high91.2Very high40 Ų4055.2 Ų55.221%0.20929%0.287CS..Hα-helixtrans-63.2-42.4177.2-71.3169.6000112.7I54 H83 M84 K103 A104 L105 S109 D110 M111I54-L107 HydrophobicContact CD1-CB 4.27Å; H83-L107 HydrophobicContact CB-CD1 3.82Å; M84-L107 HydrophobicContact CG-CD1 3.82Å; M84-L107 HydrophobicContact SD-CD1 3.79Å; K103-L107 WeakPolarHBondContact O-CG 3.4Å; K103-L107 PolarHBondContact O-N 3.5Å; K103-L107 VanDerWaalsContact O-N 3.09Å; A104-L107 PolarHBondContact O-N 2.91Å; L105-L107 VanDerWaalsContact C-N 3.33Å; L107-S109 VanDerWaalsContact C-N 3.33Å; L107-S109 PolarHBondContact O-N 3.07Å; L107-D110 PolarHBondContact O-N 2.71Å; L107-M111 HydrophobicContact CB-CE 4.36Å; L107-M111 VanDerWaalsContact O-CG 3.23Å; L107-M111 WeakPolarHBondContact O-CG 3.4Å; L107-M111 PolarHBondContact O-N 2.97Å
108I93.3Very high91.7Very high0 Ų054.3 Ų54.30%028%0.281CS..Hα-helixtrans-62.4-43.3177.3-70.7163.9000110.5L27 I54 A104 L105 M111 H112 P118 L131 F225L27-I108 HydrophobicContact CD1-CD1 4.07Å; L27-I108 HydrophobicContact CD1-CG1 4.45Å; I54-I108 HydrophobicContact CD1-CD1 4.21Å; I54-I108 HydrophobicContact CD1-CG1 3.5Å; I54-I108 VanDerWaalsContact CD1-CG1 3.5Å; A104-I108 WeakPolarHBondContact O-CB 3.37Å; A104-I108 WeakPolarHBondContact O-CD1 3.45Å; A104-I108 WeakPolarHBondContact O-CG1 3.45Å; A104-I108 PolarHBondContact O-N 3.39Å; L105-I108 PolarHBondContact O-N 3.41Å; I108-M111 PolarHBondContact O-N 3.02Å; I108-H112 VanDerWaalsContact O-CG 3.32Å; I108-H112 PolarHBondContact O-N 2.84Å; I108-P118 HydrophobicContact CG1-CB 4.08Å; I108-P118 HydrophobicContact CG2-CB 4.38Å; I108-P118 HydrophobicContact CG2-CG 4.14Å; I108-L131 HydrophobicContact CD1-CD2 4.46Å; I108-F225 HydrophobicContact CB-CZ 4.32Å; I108-F225 HydrophobicContact CD1-CE2 4.17Å; I108-F225 HydrophobicContact CD1-CZ 3.89Å; I108-F225 HydrophobicContact CG2-CE1 3.56Å; I108-F225 HydrophobicContact CG2-CZ 3.63Å
109S91.8Very high92.1Very high80 Ų8052.4 Ų52.456%0.55927%0.27SS*.Hα-helixtrans-61.2-45.1176.7-172.80000111.9L105 E106 L107 H112 S113L105-S109 WeakPolarHBondContact O-CB 3.37Å; L105-S109 PolarHBondContact O-N 2.98Å; E106-S109 WeakPolarHBondContact O-CB 3.46Å; E106-S109 PolarHBondContact O-N 3.41Å; L107-S109 VanDerWaalsContact C-N 3.33Å; L107-S109 PolarHBondContact O-N 3.07Å; S109-H112 PolarHBondContact O-N 3.02Å; S109-S113 PolarHBondContact O-N 2.77Å
110D94Very high92.5Very high68 Ų6849.4 Ų49.436%0.36425%0.254SS..Hα-helixtrans-60.1-46.8174.7172.372.2000111.9E106 L107 H112 S113 R114E106-D110 PolarHBondContact O-N 3Å; L107-D110 PolarHBondContact O-N 2.71Å; D110-H112 VanDerWaalsContact C-N 3.35Å; D110-H112 PolarHBondContact O-N 2.81Å; D110-S113 WeakPolarHBondContact O-CB 3.5Å; D110-S113 PolarHBondContact O-N 3.42Å; D110-S113 VanDerWaalsContact O-N 3.14Å; D110-S113 PolarHBondContact O-OG 3.35Å; D110-R114 WeakPolarHBondContact O-CG 3.44Å; D110-R114 PolarHBondContact O-N 2.96Å; D110-R114 VanDerWaalsContact O-N 3.08Å; D110-R114 IonicContact OD1-NE 3.53Å; D110-R114 IonicContact OD2-CZ 3.96Å; D110-R114 IonicContact OD2-NE 2.8Å; D110-R114 PolarHBondContact OD2-NE 2.75Å; D110-R114 IonicContact OD2-NH2 3.6Å; D110-R114 PolarHBondContact OD2-NH2 3.38Å
111M93.2Very high92.7Very high0 Ų049.8 Ų49.80%026%0.256CS..Hα-helixtrans-59.3-44.9177-71171.3-168.600112E52 I54 H83 L107 I108 S113 R114 N115 K116 P118E52-M111 HydrophobicContact CB-CE 3.68Å; E52-M111 HydrophobicContact CB-CG 4.32Å; E52-M111 HydrophobicContact CB-SD 3.88Å; I54-M111 HydrophobicContact CD1-CE 3.89Å; I54-M111 HydrophobicContact CD1-SD 4.04Å; I54-M111 HydrophobicContact CG1-CE 3.7Å; I54-M111 HydrophobicContact CG1-SD 4.3Å; H83-M111 WeakPolarHBondContact CD2-CE 3.43Å; H83-M111 VanDerWaalsContact NE2-CE 3.32Å; H83-M111 WeakPolarHBondContact NE2-CE 3.39Å; L107-M111 HydrophobicContact CB-CE 4.36Å; L107-M111 VanDerWaalsContact O-CG 3.23Å; L107-M111 WeakPolarHBondContact O-CG 3.4Å; L107-M111 PolarHBondContact O-N 2.97Å; I108-M111 PolarHBondContact O-N 3.02Å; M111-S113 VanDerWaalsContact C-N 3.32Å; M111-S113 PolarHBondContact O-N 3.38Å; M111-R114 CarbonylContact O-C 3.59Å; M111-R114 PolarHBondContact O-N 3.31Å; M111-R114 VanDerWaalsContact O-N 3.12Å; M111-N115 PolarHBondContact O-N 3.25Å; M111-N115 VanDerWaalsContact O-N 3.17Å; M111-K116 HydrophobicContact CB-CB 4.2Å; M111-K116 PolarHBondContact O-N 2.54Å; M111-P118 HydrophobicContact SD-CB 3.74Å
112H90.4Very high92.6Very high71 Ų7148.8 Ų48.833%0.32925%0.253SS..Hα-helixtrans-60.7-41.6175.7-72172.5000111.6S26 I108 S109 D110 R114 N115 P118S26-H112 PolarHBondContact O-CE1 2.8Å; S26-H112 PolarHBondContact O-NE2 3.18Å; I108-H112 VanDerWaalsContact O-CG 3.32Å; I108-H112 PolarHBondContact O-N 2.84Å; S109-H112 PolarHBondContact O-N 3.02Å; D110-H112 VanDerWaalsContact C-N 3.35Å; D110-H112 PolarHBondContact O-N 2.81Å; H112-R114 PolarHBondContact O-N 2.91Å; H112-N115 PolarHBondContact O-N 2.85Å; H112-P118 WeakPolarHBondContact NE2-CG 3.34Å
113S91.9Very high92.3Very high88 Ų8845.7 Ų45.762%0.61524%0.237SC*.Hα-helixtrans-61.9-29.9176.383.50000112.9S109 D110 M111S109-S113 PolarHBondContact O-N 2.77Å; D110-S113 WeakPolarHBondContact O-CB 3.5Å; D110-S113 PolarHBondContact O-N 3.42Å; D110-S113 VanDerWaalsContact O-N 3.14Å; D110-S113 PolarHBondContact O-OG 3.35Å; M111-S113 VanDerWaalsContact C-N 3.32Å; M111-S113 PolarHBondContact O-N 3.38Å
114R92Very high92.1Very high99 Ų9942 Ų4237%0.37422%0.223SC..THydrogen-bonded Turntrans-91.48.1176.9-62.6-174.6-68.3115.11113.6E52 D110 M111 H112 K116E52-R114 IonicContact OE1-CZ 3.37Å; E52-R114 IonicContact OE1-NH1 2.67Å; E52-R114 PolarHBondContact OE1-NH1 3.22Å; E52-R114 IonicContact OE1-NH2 3.22Å; E52-R114 PolarHBondContact OE1-NH2 3.35Å; E52-R114 IonicContact OE2-CZ 3.81Å; E52-R114 IonicContact OE2-NH1 3.81Å; E52-R114 IonicContact OE2-NH2 2.9Å; E52-R114 PolarHBondContact OE2-NH2 3.34Å; D110-R114 WeakPolarHBondContact O-CG 3.44Å; D110-R114 PolarHBondContact O-N 2.96Å; D110-R114 VanDerWaalsContact O-N 3.08Å; D110-R114 IonicContact OD1-NE 3.53Å; D110-R114 IonicContact OD2-CZ 3.96Å; D110-R114 IonicContact OD2-NE 2.8Å; D110-R114 PolarHBondContact OD2-NE 2.75Å; D110-R114 IonicContact OD2-NH2 3.6Å; D110-R114 PolarHBondContact OD2-NH2 3.38Å; M111-R114 CarbonylContact O-C 3.59Å; M111-R114 PolarHBondContact O-N 3.31Å; M111-R114 VanDerWaalsContact O-N 3.12Å; H112-R114 PolarHBondContact O-N 2.91Å; R114-K116 HydrophobicContact CB-CG 4.13Å; R114-K116 PolarHBondContact O-N 3.26Å
115N88.9Confident91.8Very high151 Ų15142.4 Ų42.481%0.80723%0.225SC*.THydrogen-bonded Turntrans5336.3-173.9-63-60.6000113.6M111 H112M111-N115 PolarHBondContact O-N 3.25Å; M111-N115 VanDerWaalsContact O-N 3.17Å; H112-N115 PolarHBondContact O-N 2.85Å
116K91.3Very high91.5Very high61 Ų6145 Ų4527%0.26523%0.233SC..PPolyproline II helixtrans-99.9143.8174.6-63.4-68.5178.3-174.30110Q50 E52 M111 R114 P118Q50-K116 HydrophobicContact CB-CD 4.48Å; Q50-K116 WeakPolarHBondContact O-CD 3.11Å; E52-K116 HydrophobicContact CG-CB 4.35Å; M111-K116 HydrophobicContact CB-CB 4.2Å; M111-K116 PolarHBondContact O-N 2.54Å; R114-K116 HydrophobicContact CB-CG 4.13Å; R114-K116 PolarHBondContact O-N 3.26Å; K116-P118 VanDerWaalsContact O-CD 3.29Å; K116-P118 WeakPolarHBondContact O-CD 3.46Å
117L91.1Very high91.2Very high20 Ų2039.6 Ų39.611%0.10521%0.207CC..EExtended strand (participates in β ladder)trans-81.5116.3177.8-179.267.6000110.4P25 V28 L49 G51 E52 I119P25-L117 HydrophobicContact CG-CD1 4.47Å; P25-L117 WeakPolarHBondContact O-CD1 3.41Å; V28-L117 HydrophobicContact CG2-CD1 4.15Å; V28-L117 HydrophobicContact CG2-CD2 3.94Å; V28-L117 HydrophobicContact CG2-CG 4.26Å; L49-L117 HydrophobicContact CB-CD2 3.95Å; L49-L117 HydrophobicContact CD1-CD2 3.84Å; G51-L117 CarbonylContact C-O 3.59Å; G51-L117 WeakPolarHBondContact CA-O 3.11Å; E52-L117 PolarHBondContact N-O 3.23Å; L117-I119 HydrophobicContact CD2-CG1 4.43Å; L117-I119 HydrophobicContact CG-CG1 4.37Å; L117-I119 PolarHBondContact O-N 2.79Å
118P94.8Very high90.9Very high1 Ų137.8 Ų37.81%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-74.3124.917429.2-34.3000111S26 L27 V28 I108 M111 H112 K116S26-P118 VanDerWaalsContact O-CG 3.31Å; S26-P118 WeakPolarHBondContact O-CG 3.25Å; L27-P118 HydrophobicContact CD1-CB 3.85Å; L27-P118 HydrophobicContact CD1-CG 3.77Å; V28-P118 PolarHBondContact N-O 2.93Å; V28-P118 VanDerWaalsContact N-O 3.08Å; I108-P118 HydrophobicContact CG1-CB 4.08Å; I108-P118 HydrophobicContact CG2-CB 4.38Å; I108-P118 HydrophobicContact CG2-CG 4.14Å; M111-P118 HydrophobicContact SD-CB 3.74Å; H112-P118 WeakPolarHBondContact NE2-CG 3.34Å; K116-P118 VanDerWaalsContact O-CD 3.29Å; K116-P118 WeakPolarHBondContact O-CD 3.46Å
119I95.5Very high90.5Very high0 Ų038 Ų380%020%0.198CC..EExtended strand (participates in β ladder)trans-115.8105.3178.2-55.8169.8000108.6V28 I30 A42 I45 E52 I53 I54 L117V28-I119 HydrophobicContact CB-CG1 4.39Å; V28-I119 HydrophobicContact CG1-CG2 4.46Å; V28-I119 CarbonylContact O-C 3.55Å; V28-I119 WeakPolarHBondContact O-CA 3.37Å; I30-I119 HydrophobicContact CD1-CG2 3.88Å; I30-I119 HydrophobicContact CG1-CG2 4.49Å; A42-I119 HydrophobicContact CB-CG2 4.09Å; I45-I119 HydrophobicContact CB-CD1 4.17Å; I45-I119 HydrophobicContact CG2-CD1 3.71Å; E52-I119 PolarHBondContact O-N 3.37Å; I53-I119 CarbonylContact C-O 3.56Å; I53-I119 VanDerWaalsContact CA-O 3.29Å; I53-I119 WeakPolarHBondContact CA-O 3.29Å; I53-I119 HydrophobicContact CG1-CB 4.32Å; I54-I119 PolarHBondContact N-O 3.34Å; L117-I119 HydrophobicContact CD2-CG1 4.43Å; L117-I119 HydrophobicContact CG-CG1 4.37Å; L117-I119 PolarHBondContact O-N 2.79Å
120V95.9Very high90.2Very high1 Ų134.2 Ų34.21%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-88.7122.1176.9-1800000109.3L27 V28 V29 I30 I54 A56 I128 L131L27-V120 HydrophobicContact CD1-CG2 3.77Å; L27-V120 HydrophobicContact CG-CG2 4.45Å; V28-V120 PolarHBondContact O-N 3.41Å; V29-V120 CarbonylContact C-O 3.45Å; V29-V120 WeakPolarHBondContact CA-O 3.24Å; V29-V120 HydrophobicContact CG2-CB 4.4Å; I30-V120 PolarHBondContact N-O 3.2Å; I54-V120 HydrophobicContact CB-CG2 4.28Å; I54-V120 WeakPolarHBondContact O-CA 3.31Å; A56-V120 HydrophobicContact CB-CG1 3.75Å; V120-I128 HydrophobicContact CG1-CG1 4.1Å; V120-L131 HydrophobicContact CG1-CD1 4.16Å; V120-L131 HydrophobicContact CG2-CD1 4.12Å
121V95.1Very high89.8Confident7 Ų731 Ų314%0.04216%0.155CC..EExtended strand (participates in β ladder)trans-128.1131-179.6680000110.2I30 K38 A42 I53 I54 S55 A56I30-V121 HydrophobicContact CB-CB 4.47Å; I30-V121 HydrophobicContact CB-CG2 4.14Å; I30-V121 HydrophobicContact CG2-CG2 4.3Å; K38-V121 HydrophobicContact CB-CG2 3.59Å; A42-V121 HydrophobicContact CB-CB 4.05Å; A42-V121 HydrophobicContact CB-CG1 4.2Å; A42-V121 HydrophobicContact CB-CG2 4.12Å; I53-V121 HydrophobicContact CG2-CB 4.39Å; I53-V121 HydrophobicContact CG2-CG1 3.33Å; I54-V121 PolarHBondContact O-N 3.31Å; S55-V121 CarbonylContact C-O 3.58Å; S55-V121 WeakPolarHBondContact CA-O 3.45Å; A56-V121 PolarHBondContact N-O 3.13Å
122G89.4Confident89.4Confident4 Ų431.1 Ų31.14%0.04116%0.155CC..  trans-177.1162-178.200000115.9K38 A56K38-G122 WeakPolarHBondContact CE-O 3.47Å; A56-G122 WeakPolarHBondContact O-CA 3.28Å
123G84.3Confident89Confident3 Ų327.7 Ų27.73%0.03114%0.14CC..SBendtrans-95.5-17.1171.700000113.7N125 Q329G123-N125 PolarHBondContact O-N 3.06Å; G123-N125 VanDerWaalsContact O-N 3.12Å; G123-Q329 PolarHBondContact O-NE2 3.06Å
124T88.4Confident87.9Confident19 Ų1927.9 Ų27.912%0.11713%0.13CC..  trans-8881.3-178.7-58.30000109.1A56 S58 Y126 Y127 I128A56-T124 WeakPolarHBondContact O-CB 3.37Å; A56-T124 PolarHBondContact O-N 3.06Å; A56-T124 VanDerWaalsContact O-N 3.16Å; S58-T124 PolarHBondContact N-OG1 3.48Å; S58-T124 PolarHBondContact OG-OG1 2.88Å; S58-T124 VanDerWaalsContact OG-OG1 3.05Å; T124-Y126 PolarHBondContact O-N 2.87Å; T124-Y127 HydrophobicContact CG2-CD1 3.63Å; T124-Y127 HydrophobicContact CG2-CD2 4.16Å; T124-Y127 HydrophobicContact CG2-CE1 4.12Å; T124-Y127 HydrophobicContact CG2-CG 3.67Å; T124-Y127 WeakPolarHBondContact O-CB 3.15Å; T124-Y127 PolarHBondContact O-N 2.83Å; T124-I128 PolarHBondContact O-N 3.49Å
125N86.7Confident86.5Confident9 Ų924.5 Ų24.55%0.04812%0.12CC..Hα-helixtrans-49.7-39.3-177.7-66.9-32.5000112.3G123 Y127 I128 E129 W332G123-N125 PolarHBondContact O-N 3.06Å; G123-N125 VanDerWaalsContact O-N 3.12Å; N125-Y127 VanDerWaalsContact C-N 3.29Å; N125-Y127 PolarHBondContact O-N 3.33Å; N125-I128 CarbonylContact O-C 3.55Å; N125-I128 WeakPolarHBondContact O-CA 3.35Å; N125-I128 WeakPolarHBondContact O-CB 3.39Å; N125-I128 PolarHBondContact O-N 3.17Å; N125-E129 VanDerWaalsContact O-CG 3.28Å; N125-E129 WeakPolarHBondContact O-CG 3.3Å; N125-E129 PolarHBondContact O-N 3.45Å; N125-W332 HydrophobicContact CB-CG 4.15Å; N125-W332 VanDerWaalsContact ND2-CD1 3.32Å
126Y84.7Confident85Confident93 Ų9319 Ų1937%0.3659%0.09SC..Hα-helixtrans-60.8-32.2-179.9-169.1-121.5000114.4V97 T124 I128 E129 S130 L136 L137V97-Y126 HydrophobicContact CB-CD1 4.23Å; V97-Y126 HydrophobicContact CB-CE1 4.06Å; V97-Y126 HydrophobicContact CG1-CD1 4.36Å; V97-Y126 HydrophobicContact CG1-CE1 3.7Å; V97-Y126 HydrophobicContact CG2-CD1 4Å; V97-Y126 HydrophobicContact CG2-CE1 4.06Å; T124-Y126 PolarHBondContact O-N 2.87Å; Y126-I128 VanDerWaalsContact C-N 3.33Å; Y126-E129 PolarHBondContact O-N 3.41Å; Y126-S130 PolarHBondContact O-N 2.83Å; Y126-S130 VanDerWaalsContact O-N 3.13Å; Y126-L136 HydrophobicContact CD2-CD2 4.23Å; Y126-L136 HydrophobicContact CE2-CD2 3.86Å; Y126-L136 HydrophobicContact CE2-CG 4.3Å; Y126-L137 WeakPolarHBondContact OH-CD2 3.48Å
127Y89.1Confident83.3Confident17 Ų1717 Ų177%0.0678%0.082CC..Hα-helixtrans-69.6-34.8172.9-79.915.7000111.5V97 F100 T124 N125 S130 L131V97-Y127 HydrophobicContact CB-CD1 3.94Å; V97-Y127 HydrophobicContact CB-CE1 3.74Å; V97-Y127 HydrophobicContact CG2-CD1 3.54Å; V97-Y127 HydrophobicContact CG2-CE1 3.9Å; V97-Y127 HydrophobicContact CG2-CG 4.47Å; F100-Y127 HydrophobicContact CB-CD2 4.08Å; F100-Y127 HydrophobicContact CB-CE2 3.92Å; F100-Y127 HydrophobicContact CB-CG 4.48Å; F100-Y127 HydrophobicContact CD1-CD1 4.45Å; F100-Y127 AromaticContact CD1-CD2 3.67Å; F100-Y127 HydrophobicContact CD1-CD2 3.67Å; F100-Y127 HydrophobicContact CD1-CE2 4.38Å; F100-Y127 AromaticContact CD1-CG 3.7Å; F100-Y127 HydrophobicContact CD1-CG 3.7Å; F100-Y127 AromaticContact CD2-CD2 3.53Å; F100-Y127 HydrophobicContact CD2-CD2 3.53Å; F100-Y127 AromaticContact CD2-CE2 3.78Å; F100-Y127 HydrophobicContact CD2-CE2 3.78Å; F100-Y127 HydrophobicContact CD2-CG 4.39Å; F100-Y127 HydrophobicContact CE1-CD2 4Å; F100-Y127 HydrophobicContact CE1-CG 4.04Å; F100-Y127 AromaticContact CE2-CD2 3.88Å; F100-Y127 HydrophobicContact CE2-CD2 3.88Å; F100-Y127 HydrophobicContact CE2-CE2 4.48Å; F100-Y127 AromaticContact CG-CD2 3.44Å; F100-Y127 HydrophobicContact CG-CD2 3.44Å; F100-Y127 VanDerWaalsContact CG-CD2 3.44Å; F100-Y127 AromaticContact CG-CE2 3.74Å; F100-Y127 HydrophobicContact CG-CE2 3.74Å; F100-Y127 AromaticContact CG-CG 3.91Å; F100-Y127 HydrophobicContact CG-CG 3.91Å; F100-Y127 HydrophobicContact CZ-CD2 4.11Å; T124-Y127 HydrophobicContact CG2-CD1 3.63Å; T124-Y127 HydrophobicContact CG2-CD2 4.16Å; T124-Y127 HydrophobicContact CG2-CE1 4.12Å; T124-Y127 HydrophobicContact CG2-CG 3.67Å; T124-Y127 WeakPolarHBondContact O-CB 3.15Å; T124-Y127 PolarHBondContact O-N 2.83Å; N125-Y127 VanDerWaalsContact C-N 3.29Å; N125-Y127 PolarHBondContact O-N 3.33Å; Y127-S130 PolarHBondContact O-N 2.91Å; Y127-S130 PolarHBondContact O-OG 2.77Å; Y127-L131 PolarHBondContact O-N 2.57Å
128I88.3Confident81.3Confident1 Ų117.6 Ų17.61%0.0059%0.085CC..Hα-helixtrans-71.7-39.1176.2-59.8175.4000109.8V29 L31 A56 V120 T124 N125 Y126 S130 L131 L132V29-I128 HydrophobicContact CG1-CD1 4.3Å; V29-I128 HydrophobicContact CG1-CG2 3.42Å; V29-I128 VanDerWaalsContact CG1-CG2 3.42Å; L31-I128 HydrophobicContact CD2-CB 4.45Å; L31-I128 HydrophobicContact CD2-CD1 3.27Å; L31-I128 HydrophobicContact CD2-CG1 4.42Å; L31-I128 HydrophobicContact CD2-CG2 4.12Å; A56-I128 HydrophobicContact CB-CD1 4.17Å; A56-I128 HydrophobicContact CB-CG1 3.63Å; V120-I128 HydrophobicContact CG1-CG1 4.1Å; T124-I128 PolarHBondContact O-N 3.49Å; N125-I128 CarbonylContact O-C 3.55Å; N125-I128 WeakPolarHBondContact O-CA 3.35Å; N125-I128 WeakPolarHBondContact O-CB 3.39Å; N125-I128 PolarHBondContact O-N 3.17Å; Y126-I128 VanDerWaalsContact C-N 3.33Å; I128-S130 VanDerWaalsContact C-N 3.3Å; I128-S130 PolarHBondContact O-N 3.23Å; I128-L131 PolarHBondContact O-N 3.06Å; I128-L132 HydrophobicContact CG2-CD1 3.86Å; I128-L132 HydrophobicContact CG2-CG 4.25Å; I128-L132 WeakPolarHBondContact O-CG 3.22Å; I128-L132 PolarHBondContact O-N 2.88Å
129E84.9Confident79Confident4 Ų420 Ų202%0.01910%0.1CC..Hα-helixtrans-58.7-42.7174.3-54.3-169.7165.400111N125 Y126 L131 L132 W133 L136 W332 F337N125-E129 VanDerWaalsContact O-CG 3.28Å; N125-E129 WeakPolarHBondContact O-CG 3.3Å; N125-E129 PolarHBondContact O-N 3.45Å; Y126-E129 PolarHBondContact O-N 3.41Å; E129-L131 PolarHBondContact O-N 2.86Å; E129-L132 PolarHBondContact O-N 3.3Å; E129-W133 VanDerWaalsContact CA-CE3 3.49Å; E129-W133 HydrophobicContact CB-CE3 3.62Å; E129-W133 HydrophobicContact CB-CZ3 3.57Å; E129-W133 HydrophobicContact CG-CE3 4.22Å; E129-W133 HydrophobicContact CG-CZ3 3.65Å; E129-W133 VanDerWaalsContact O-CE3 3.26Å; E129-W133 PolarHBondContact O-N 2.9Å; E129-L136 HydrophobicContact CB-CD2 3.44Å; E129-L136 VanDerWaalsContact CB-CD2 3.44Å; E129-W332 PolarHBondContact OE1-NE1 3.45Å; E129-F337 HydrophobicContact CG-CE2 4.49Å; E129-F337 HydrophobicContact CG-CZ 4.23Å
130S84.8Confident76.4Confident1 Ų127.9 Ų27.91%0.00714%0.137CC..Hα-helixtrans-66.5-21.3179.865.80000114.5V97 Y126 Y127 I128 L137V97-S130 WeakPolarHBondContact CG2-OG 3.44Å; Y126-S130 PolarHBondContact O-N 2.83Å; Y126-S130 VanDerWaalsContact O-N 3.13Å; Y127-S130 PolarHBondContact O-N 2.91Å; Y127-S130 PolarHBondContact O-OG 2.77Å; I128-S130 VanDerWaalsContact C-N 3.3Å; I128-S130 PolarHBondContact O-N 3.23Å; S130-L137 VanDerWaalsContact CB-CD1 3.45Å
131L85.9Confident73.6Confident1 Ų135.5 Ų35.51%0.00517%0.173CC..Hα-helixtrans-85.2-39.2174-67.4177.3000112.5F100 R101 A104 L105 I108 V120 Y127 I128 E129F100-L131 HydrophobicContact CE1-CD1 3.66Å; F100-L131 HydrophobicContact CE1-CD2 4.47Å; F100-L131 HydrophobicContact CE1-CG 3.98Å; F100-L131 HydrophobicContact CZ-CD1 4.03Å; R101-L131 HydrophobicContact CG-CD2 4.41Å; A104-L131 HydrophobicContact CB-CD1 4.1Å; A104-L131 HydrophobicContact CB-CD2 3.77Å; L105-L131 HydrophobicContact CD2-CD2 3.94Å; L105-L131 HydrophobicContact CG-CD2 4.05Å; I108-L131 HydrophobicContact CD1-CD2 4.46Å; V120-L131 HydrophobicContact CG1-CD1 4.16Å; V120-L131 HydrophobicContact CG2-CD1 4.12Å; Y127-L131 PolarHBondContact O-N 2.57Å; I128-L131 PolarHBondContact O-N 3.06Å; E129-L131 PolarHBondContact O-N 2.86Å
132L83.6Confident70.8Confident2 Ų241.8 Ų41.81%0.0120%0.201CC..Hα-helixtrans-70.8-42.5-178.1-72.9174.6000112.2L27 V29 I128 E129 L223 R224 P228 I230 F337L27-L132 HydrophobicContact CD2-CD2 4.14Å; V29-L132 HydrophobicContact CG2-CD2 4.11Å; I128-L132 HydrophobicContact CG2-CD1 3.86Å; I128-L132 HydrophobicContact CG2-CG 4.25Å; I128-L132 WeakPolarHBondContact O-CG 3.22Å; I128-L132 PolarHBondContact O-N 2.88Å; E129-L132 PolarHBondContact O-N 3.3Å; L132-L223 CarbonylContact O-C 3.59Å; L132-L223 WeakPolarHBondContact O-CA 3.41Å; L132-R224 PolarHBondContact O-N 3.19Å; L132-P228 HydrophobicContact CD2-CB 4.07Å; L132-P228 HydrophobicContact CD2-CG 4.18Å; L132-I230 HydrophobicContact CD1-CD1 3.74Å; L132-I230 HydrophobicContact CD2-CD1 4.45Å; L132-F337 HydrophobicContact CD1-CE1 3.7Å; L132-F337 HydrophobicContact CD1-CZ 4.2Å
133W81.8Confident68Low0 Ų049 Ų490%024%0.239CC..BIsolated β-bridgetrans-102.8141.6-175.3-71.7-75.9000111.7E129 L136 L219 G221 R224 F337E129-W133 VanDerWaalsContact CA-CE3 3.49Å; E129-W133 HydrophobicContact CB-CE3 3.62Å; E129-W133 HydrophobicContact CB-CZ3 3.57Å; E129-W133 HydrophobicContact CG-CE3 4.22Å; E129-W133 HydrophobicContact CG-CZ3 3.65Å; E129-W133 VanDerWaalsContact O-CE3 3.26Å; E129-W133 PolarHBondContact O-N 2.9Å; W133-L136 HydrophobicContact CB-CB 4.46Å; W133-L219 HydrophobicContact CD2-CB 4.22Å; W133-L219 HydrophobicContact CH2-CB 4.39Å; W133-L219 HydrophobicContact CH2-CD1 3.92Å; W133-L219 HydrophobicContact CZ2-CB 3.82Å; W133-L219 HydrophobicContact CZ2-CD1 3.45Å; W133-L219 VanDerWaalsContact CZ2-CD1 3.45Å; W133-L219 HydrophobicContact CZ2-CG 4.25Å; W133-G221 VanDerWaalsContact CD1-O 3.28Å; W133-R224 PolarHBondContact O-NH2 2.86Å; W133-F337 HydrophobicContact CH2-CD1 4.2Å; W133-F337 AromaticContact CH2-CE1 3.66Å; W133-F337 HydrophobicContact CH2-CE1 3.66Å; W133-F337 HydrophobicContact CH2-CZ 4.12Å; W133-F337 HydrophobicContact CZ3-CE1 4.1Å; W133-F337 HydrophobicContact CZ3-CZ 4.17Å
134K69.9Low65.4Low92 Ų9258 Ų5840%0.428%0.281SS..SBendtrans-65.8-48.5178.7-72.1-169.6-176.1179.10111.7P222 R224K134-P222 HydrophobicContact CD-CG 4.25Å; K134-P222 PolarHBondContact N-O 3.4Å; K134-P222 VanDerWaalsContact N-O 3.09Å; K134-R224 HydrophobicContact CG-CB 3.92Å; K134-R224 HydrophobicContact CG-CG 4.11Å; K134-R224 PolarHBondContact O-NH2 3.02Å
135V61.4Low62.5Low27 Ų2764.8 Ų64.816%0.16432%0.316CS..SBendtrans-101.3-0.7-156.1-168.30000113.6L137 D138 Q212 G220V135-L137 PolarHBondContact O-N 3.42Å; V135-D138 PolarHBondContact O-N 2.75Å; V135-Q212 HydrophobicContact CG1-CB 3.56Å; V135-Q212 HydrophobicContact CG1-CG 3.28Å; V135-Q212 VanDerWaalsContact CG1-NE2 3.31Å; V135-G220 WeakPolarHBondContact CA-O 3.22Å; V135-G220 WeakPolarHBondContact CB-O 3.33Å; V135-G220 PolarHBondContact N-O 3.36Å
136L57.4Low59.9Low35 Ų3570.3 Ų70.318%0.18336%0.355CS..THydrogen-bonded Turntrans-56.2-24-175.6-167.872.6000113.9Y126 E129 W133 L219Y126-L136 HydrophobicContact CD2-CD2 4.23Å; Y126-L136 HydrophobicContact CE2-CD2 3.86Å; Y126-L136 HydrophobicContact CE2-CG 4.3Å; E129-L136 HydrophobicContact CB-CD2 3.44Å; E129-L136 VanDerWaalsContact CB-CD2 3.44Å; W133-L136 HydrophobicContact CB-CB 4.46Å; L136-L219 VanDerWaalsContact CD1-O 3.22Å; L136-L219 WeakPolarHBondContact CD1-O 3.31Å
137L56.4Low57.1Low21 Ų2169.2 Ų69.211%0.1137%0.372CS..THydrogen-bonded Turntrans-140.512.4-174-66172.4000114.2V97 V98 Y126 S130 V135 T139V97-L137 HydrophobicContact CB-CD1 4.01Å; V97-L137 HydrophobicContact CG1-CD1 3.44Å; V97-L137 VanDerWaalsContact CG1-CD1 3.44Å; V97-L137 HydrophobicContact CG1-CD2 3.64Å; V97-L137 HydrophobicContact CG1-CG 4.19Å; V97-L137 HydrophobicContact CG2-CD1 3.59Å; V98-L137 HydrophobicContact CG2-CB 4.3Å; V98-L137 HydrophobicContact CG2-CD1 4.17Å; V98-L137 HydrophobicContact CG2-CD2 4.48Å; Y126-L137 WeakPolarHBondContact OH-CD2 3.48Å; S130-L137 VanDerWaalsContact CB-CD1 3.45Å; V135-L137 PolarHBondContact O-N 3.42Å; L137-T139 VanDerWaalsContact C-N 3.3Å; L137-T139 PolarHBondContact O-N 2.73Å
138D49.5Very low54.2Low31 Ų3176.8 Ų76.817%0.16641%0.414CS..  trans-73.685.6-174.7-71.9-14.6000110.8R101 V135 E140 W208R101-D138 IonicContact CZ-OD1 3.51Å; R101-D138 IonicContact NH1-OD1 2.77Å; R101-D138 PolarHBondContact NH1-OD1 2.98Å; V135-D138 PolarHBondContact O-N 2.75Å; D138-E140 HydrophobicContact CB-CG 4.26Å; D138-E140 PolarHBondContact O-N 3.44Å; D138-W208 WeakPolarHBondContact O-CZ2 3.47Å
139T45.6Very low51.4Low51 Ų5179.9 Ų79.931%0.31345%0.446SS..  trans-87.256.3160.541.60000109.4L137 Q141L137-T139 VanDerWaalsContact C-N 3.3Å; L137-T139 PolarHBondContact O-N 2.73Å; T139-Q141 PolarHBondContact O-N 3.37Å
140E40.6Very low48.8Very low166 Ų16685 Ų8578%0.77649%0.489SS*.THydrogen-bonded Turntrans-71.817.6-178.9-70.3-171.1157.500114.2D138D138-E140 HydrophobicContact CB-CG 4.26Å; D138-E140 PolarHBondContact O-N 3.44Å
141Q38.6Very low46.5Very low162 Ų16291.2 Ų91.276%0.75752%0.522SS*.THydrogen-bonded Turntrans-108.119175.1-77.7-170-16.600114.4T139T139-Q141 PolarHBondContact O-N 3.37Å
142E36.1Very low44Very low138 Ų13892.8 Ų92.865%0.64554%0.538SS*.SBendtrans-96.14.5174.9-79-176178.200114.8
143N31Very low42.1Very low156 Ų15694.7 Ų94.783%0.83456%0.558SS**SBendtrans-126.417.7-171.6-75.2-29.1000117.6
144E28.8Very low40.4Very low193 Ų193101.3 Ų101.390%0.90259%0.589SS**SBendtrans-139.960.4167.4-70.6-171.6173.700111.8
145D26.9Very low39.5Very low160 Ų16099.5 Ų99.586%0.85659%0.589SS**  trans-149.3117.7137-145.8-0.5000110.2G147D145-G147 PolarHBondContact O-N 2.97Å
146S32.3Very low39.2Very low125 Ų125104.8 Ų104.887%0.87461%0.605SS**  trans-86.7106.8176.8-59.10000107.8
147G25.8Very low39.1Very low70 Ų70107.8 Ų107.872%0.72262%0.617SS**  trans17898.4170.800000113.1D145D145-G147 PolarHBondContact O-N 2.97Å
148D28.7Very low39Very low177 Ų177112.2 Ų112.295%0.94764%0.639SS**SBendtrans36.5105.2157.7-75.3-21.5000119
149G28.5Very low39.6Very low65 Ų65116.4 Ų116.467%0.6766%0.657SS**  trans159.756.7159.500000117.4D151 G152G149-D151 PolarHBondContact O-N 2.94Å; G149-G152 PolarHBondContact O-N 3.32Å
150A31.2Very low40.4Very low112 Ų112114.8 Ų114.893%0.92665%0.647SS**THydrogen-bonded Turntrans-65.36.8175.300000115.3
151D35.5Very low41.4Very low131 Ų131112.1 Ų112.170%0.70163%0.634SS**THydrogen-bonded Turntrans-109.9-14.4-175.5-161.324.6000113.7G149 S155G149-D151 PolarHBondContact O-N 2.94Å; D151-S155 WeakPolarHBondContact O-CB 3.36Å
152G34.7Very low42.7Very low34 Ų34112.7 Ų112.735%0.35163%0.634SS.*Hα-helixtrans-77.6-39-170.100000116G149 R156G149-G152 PolarHBondContact O-N 3.32Å; G152-R156 WeakPolarHBondContact O-CG 3.33Å; G152-R156 PolarHBondContact O-N 3.41Å
153G44.3Very low44.2Very low42 Ų42108.4 Ų108.443%0.43362%0.615SS.*Hα-helixtrans-75.6-36.5-173.500000114.2K157G153-K157 PolarHBondContact O-N 2.81Å
154Q45.6Very low46.1Very low139 Ų139102.9 Ų102.965%0.6560%0.596SS**Hα-helixtrans-74.2-38.3177-68-172.41.700111.8K157 M158Q154-K157 PolarHBondContact O-N 2.77Å; Q154-M158 PolarHBondContact O-N 3.19Å
155S50.4Low48.3Very low55 Ų5594.1 Ų94.139%0.38556%0.557SS.*Hα-helixtrans-59.7-47.3176.6-174.50000111.7D151 K157 M158 E159D151-S155 WeakPolarHBondContact O-CB 3.36Å; S155-K157 PolarHBondContact O-N 2.87Å; S155-M158 PolarHBondContact O-N 2.6Å; S155-E159 WeakPolarHBondContact O-CG 3.39Å; S155-E159 PolarHBondContact O-N 2.96Å
156R55Low50.7Low137 Ų13793.4 Ų93.452%0.51755%0.548SS..Hα-helixtrans-67.1-34.7178.2-70.3173.6-177.5177.41.9113.8G152 E159 L160G152-R156 WeakPolarHBondContact O-CG 3.33Å; G152-R156 PolarHBondContact O-N 3.41Å; R156-E159 PolarHBondContact O-N 3.05Å; R156-L160 WeakPolarHBondContact O-CG 3.33Å; R156-L160 PolarHBondContact O-N 3.16Å; R156-L160 VanDerWaalsContact O-N 3.08Å
157K55.6Low53Low98 Ų9891 Ų9143%0.42652%0.524SS..Hα-helixtrans-64.9-44.5174.1-176.3-177.6170.9-169.20111.1G153 Q154 S155 E159 L160 E161G153-K157 PolarHBondContact O-N 2.81Å; Q154-K157 PolarHBondContact O-N 2.77Å; S155-K157 PolarHBondContact O-N 2.87Å; K157-E159 VanDerWaalsContact C-N 3.31Å; K157-E159 PolarHBondContact O-N 3.44Å; K157-L160 PolarHBondContact O-N 3.33Å; K157-E161 WeakPolarHBondContact CE-OE1 3.41Å; K157-E161 WeakPolarHBondContact O-CB 3.31Å; K157-E161 WeakPolarHBondContact O-CG 3.3Å; K157-E161 PolarHBondContact O-N 2.74Å
158M55.2Low55.6Low114 Ų11487.8 Ų87.856%0.56249%0.49SS*.Hα-helixtrans-64-35.3175.8-77.4-169.9-174.500112.4Q154 S155 K162Q154-M158 PolarHBondContact O-N 3.19Å; S155-M158 PolarHBondContact O-N 2.6Å; M158-K162 VanDerWaalsContact O-CG 3.28Å; M158-K162 WeakPolarHBondContact O-CG 3.28Å; M158-K162 PolarHBondContact O-N 3.03Å
159E61.3Low58.2Low120 Ų12079.8 Ų79.856%0.56145%0.447SS*.Hα-helixtrans-65.6-43.6175.2-74.3178.9173.300112.5S155 R156 K157 K162S155-E159 WeakPolarHBondContact O-CG 3.39Å; S155-E159 PolarHBondContact O-N 2.96Å; R156-E159 PolarHBondContact O-N 3.05Å; K157-E159 VanDerWaalsContact C-N 3.31Å; K157-E159 PolarHBondContact O-N 3.44Å; E159-K162 PolarHBondContact O-N 2.84Å
160L62.9Low60.9Low17 Ų1782.4 Ų82.49%0.08944%0.439CS..Hα-helixtrans-69.4-35.2177.7-68.7171.6000112.2R156 K157 K162 L163 L168 A192 L195R156-L160 WeakPolarHBondContact O-CG 3.33Å; R156-L160 PolarHBondContact O-N 3.16Å; R156-L160 VanDerWaalsContact O-N 3.08Å; K157-L160 PolarHBondContact O-N 3.33Å; L160-K162 VanDerWaalsContact C-N 3.26Å; L160-K162 PolarHBondContact O-N 3.25Å; L160-L163 HydrophobicContact CD2-CD1 4.23Å; L160-L163 PolarHBondContact O-N 2.86Å; L160-L168 HydrophobicContact CB-CD2 4.14Å; L160-L168 HydrophobicContact CD2-CD2 3.73Å; L160-L168 WeakPolarHBondContact O-CD1 3.4Å; L160-A192 HydrophobicContact CB-CB 4.49Å; L160-L195 HydrophobicContact CD1-CB 4.44Å; L160-L195 HydrophobicContact CD2-CD1 4.35Å
161E61.8Low63.4Low109 Ų10981.9 Ų81.951%0.50941%0.413SS..Hα-helixtrans-68.2-24.4177.4-75.8178.8174.500113.4K157 L163K157-E161 WeakPolarHBondContact CE-OE1 3.41Å; K157-E161 WeakPolarHBondContact O-CB 3.31Å; K157-E161 WeakPolarHBondContact O-CG 3.3Å; K157-E161 PolarHBondContact O-N 2.74Å; E161-L163 VanDerWaalsContact C-N 3.33Å
162K64.4Low65.7Low175 Ų17575.7 Ų75.776%0.76138%0.38SS*.THydrogen-bonded Turntrans-76.9-16.5175-72.7171.1-174.7178.20113.6M158 E159 L160M158-K162 VanDerWaalsContact O-CG 3.28Å; M158-K162 WeakPolarHBondContact O-CG 3.28Å; M158-K162 PolarHBondContact O-N 3.03Å; E159-K162 PolarHBondContact O-N 2.84Å; L160-K162 VanDerWaalsContact C-N 3.26Å; L160-K162 PolarHBondContact O-N 3.25Å
163L67.9Low68.2Low47 Ų4775.9 Ų75.925%0.24638%0.379CS..SBendtrans-82.2149.5-178.5-68.5167.4000112.4L160 E161 E167 L168L160-L163 HydrophobicContact CD2-CD1 4.23Å; L160-L163 PolarHBondContact O-N 2.86Å; E161-L163 VanDerWaalsContact C-N 3.33Å; L163-E167 HydrophobicContact CD2-CG 4.4Å; L163-L168 HydrophobicContact CB-CD2 3.94Å; L163-L168 HydrophobicContact CB-CG 3.9Å; L163-L168 HydrophobicContact CD1-CD2 4.06Å
164G71.9Confident70.2Confident41 Ų4181.5 Ų81.542%0.42339%0.394SS..  trans-61.6147.9173.700000112E166 E167 L168G164-E166 VanDerWaalsContact C-N 3.26Å; G164-E166 PolarHBondContact O-N 3.02Å; G164-E167 PolarHBondContact O-N 3.14Å; G164-E167 VanDerWaalsContact O-N 3.14Å; G164-L168 PolarHBondContact O-N 3.17Å
165G73.8Confident72.1Confident9 Ų977.1 Ų77.19%0.09338%0.377CS..Hα-helixtrans-62.4-32.4-177.100000113.6H169G165-H169 WeakPolarHBondContact O-CB 3.33Å; G165-H169 PolarHBondContact O-N 3.06Å; G165-H169 VanDerWaalsContact O-N 3.07Å
166E77.3Confident73.8Confident144 Ų14474.7 Ų74.767%0.67336%0.359SS*.Hα-helixtrans-70.1-39.7175-66179.8179.700112.3G164 H169 K170G164-E166 VanDerWaalsContact C-N 3.26Å; G164-E166 PolarHBondContact O-N 3.02Å; E166-H169 PolarHBondContact O-N 3.04Å; E166-K170 WeakPolarHBondContact O-CG 3.24Å; E166-K170 PolarHBondContact O-N 3.49Å
167E80.6Confident75.2Confident76 Ų7672.4 Ų72.436%0.35536%0.362SS..Hα-helixtrans-68-42.9178.8-17556.2-155.400111.2L163 G164 H169 K170 R171L163-E167 HydrophobicContact CD2-CG 4.4Å; G164-E167 PolarHBondContact O-N 3.14Å; G164-E167 VanDerWaalsContact O-N 3.14Å; E167-H169 VanDerWaalsContact C-N 3.26Å; E167-H169 PolarHBondContact O-N 3.17Å; E167-K170 PolarHBondContact O-N 3.09Å; E167-R171 WeakPolarHBondContact O-CG 3.22Å; E167-R171 PolarHBondContact O-N 3.12Å; E167-R171 IonicContact OE1-NE 3.88Å
168L81.7Confident76.5Confident2 Ų272 Ų721%0.0136%0.36CS..Hα-helixtrans-58.9-40.2171.3-71.3173000111.8L160 L163 G164 L172 V191 L195L160-L168 HydrophobicContact CB-CD2 4.14Å; L160-L168 HydrophobicContact CD2-CD2 3.73Å; L160-L168 WeakPolarHBondContact O-CD1 3.4Å; L163-L168 HydrophobicContact CB-CD2 3.94Å; L163-L168 HydrophobicContact CB-CG 3.9Å; L163-L168 HydrophobicContact CD1-CD2 4.06Å; G164-L168 PolarHBondContact O-N 3.17Å; L168-L172 PolarHBondContact O-N 3.31Å; L168-V191 HydrophobicContact CB-CG1 3.76Å; L168-V191 WeakPolarHBondContact O-CG1 3.48Å; L168-L195 HydrophobicContact CD2-CD1 4.05Å
169H83Confident77.7Confident9 Ų967.2 Ų67.24%0.04234%0.337CS..Hα-helixtrans-69.4-38.2179.5-168-89.7000112.5G165 E166 E167 L172 A173 A180 L183 P185 R397G165-H169 WeakPolarHBondContact O-CB 3.33Å; G165-H169 PolarHBondContact O-N 3.06Å; G165-H169 VanDerWaalsContact O-N 3.07Å; E166-H169 PolarHBondContact O-N 3.04Å; E167-H169 VanDerWaalsContact C-N 3.26Å; E167-H169 PolarHBondContact O-N 3.17Å; H169-L172 PolarHBondContact O-N 3.06Å; H169-A173 WeakPolarHBondContact O-CB 3.2Å; H169-A173 PolarHBondContact O-N 3.34Å; H169-A180 PolarHBondContact CE1-O 3.24Å; H169-A180 VanDerWaalsContact CE1-O 3.23Å; H169-A180 PolarHBondContact NE2-O 2.75Å; H169-L183 PolarHBondContact CD2-O 2.76Å; H169-L183 PolarHBondContact NE2-O 2.88Å; H169-P185 HydrophobicContact CB-CB 3.89Å; H169-P185 HydrophobicContact CB-CG 4.1Å; H169-R397 PolarHBondContact CE1-NH1 2.87Å
170K85.1Confident78.7Confident119 Ų11961.6 Ų61.652%0.51731%0.311SS..Hα-helixtrans-60.1-49.1173.3-74.4176.5-175175.80111.5E166 E167 L172 A173 E174E166-K170 WeakPolarHBondContact O-CG 3.24Å; E166-K170 PolarHBondContact O-N 3.49Å; E167-K170 PolarHBondContact O-N 3.09Å; K170-L172 VanDerWaalsContact C-N 3.26Å; K170-L172 PolarHBondContact O-N 3.32Å; K170-A173 WeakPolarHBondContact O-CA 3.5Å; K170-A173 WeakPolarHBondContact O-CB 3.5Å; K170-A173 PolarHBondContact O-N 3.35Å; K170-E174 PolarHBondContact O-N 2.92Å
171R83.6Confident79.5Confident101 Ų10162.9 Ų62.938%0.38132%0.322SS..Hα-helixtrans-58.3-40175-68.1-176.3-171.6-165.10.7112E167 A173 E174 V175 L195E167-R171 WeakPolarHBondContact O-CG 3.22Å; E167-R171 PolarHBondContact O-N 3.12Å; E167-R171 IonicContact OE1-NE 3.88Å; R171-A173 VanDerWaalsContact C-N 3.32Å; R171-A173 PolarHBondContact O-N 3Å; R171-E174 PolarHBondContact O-N 3.48Å; R171-V175 WeakPolarHBondContact O-CG2 3.49Å; R171-V175 PolarHBondContact O-N 3.29Å; R171-L195 HydrophobicContact CB-CD1 4.14Å; R171-L195 HydrophobicContact CB-CD2 4.28Å
172L84.1Confident80.2Confident1 Ų160.2 Ų60.21%0.00531%0.31CS..Hα-helixtrans-66.9-34.5175.2-176.364.4000112L168 H169 K170 E174 V175 D176 M179 A180 L183 V191 S194 L195L168-L172 PolarHBondContact O-N 3.31Å; H169-L172 PolarHBondContact O-N 3.06Å; K170-L172 VanDerWaalsContact C-N 3.26Å; K170-L172 PolarHBondContact O-N 3.32Å; L172-E174 VanDerWaalsContact C-N 3.34Å; L172-V175 PolarHBondContact O-N 2.92Å; L172-D176 HydrophobicContact CD1-CB 4.07Å; L172-D176 CarbonylContact O-C 3.05Å; L172-D176 WeakPolarHBondContact O-CA 3.49Å; L172-D176 PolarHBondContact O-N 3.05Å; L172-D176 VanDerWaalsContact O-O 3.09Å; L172-M179 HydrophobicContact CD1-CB 4.5Å; L172-M179 HydrophobicContact CD2-CB 4.4Å; L172-A180 HydrophobicContact CD2-CB 4.45Å; L172-A180 HydrophobicContact CG-CB 4.18Å; L172-L183 HydrophobicContact CD2-CD1 3.97Å; L172-V191 HydrophobicContact CB-CG1 4Å; L172-V191 HydrophobicContact CD2-CB 4.38Å; L172-V191 HydrophobicContact CD2-CG1 3.92Å; L172-V191 HydrophobicContact CD2-CG2 4.32Å; L172-S194 WeakPolarHBondContact CD1-OG 3.44Å; L172-L195 HydrophobicContact CB-CD2 4.1Å; L172-L195 HydrophobicContact CB-CG 4.2Å; L172-L195 HydrophobicContact CD1-CD2 4.1Å; L172-L195 HydrophobicContact CD1-CG 4.23Å
173A86.8Confident80.8Confident39 Ų3952.8 Ų52.832%0.32228%0.278SS..Hα-helixtrans-69.4-31.2177.900000113.1H169 K170 R171 A180H169-A173 WeakPolarHBondContact O-CB 3.2Å; H169-A173 PolarHBondContact O-N 3.34Å; K170-A173 WeakPolarHBondContact O-CA 3.5Å; K170-A173 WeakPolarHBondContact O-CB 3.5Å; K170-A173 PolarHBondContact O-N 3.35Å; R171-A173 VanDerWaalsContact C-N 3.32Å; R171-A173 PolarHBondContact O-N 3Å; A173-A180 HydrophobicContact CB-CB 3.76Å
174E87.1Confident81.3Confident159 Ų15952.8 Ų52.874%0.74328%0.277SS*.Hα-helixtrans-69.6-42.2174.2-69.4168.9-174.100111.7K170 R171 L172K170-E174 PolarHBondContact O-N 2.92Å; R171-E174 PolarHBondContact O-N 3.48Å; L172-E174 VanDerWaalsContact C-N 3.34Å
175V85.2Confident81.6Confident48 Ų4851.1 Ų51.129%0.29126%0.258SS..Hα-helixtrans-82.9-43.3-176.3166.20000112.9R171 L172 H198R171-V175 WeakPolarHBondContact O-CG2 3.49Å; R171-V175 PolarHBondContact O-N 3.29Å; L172-V175 PolarHBondContact O-N 2.92Å; V175-H198 HydrophobicContact CG1-CB 3.84Å; V175-H198 WeakPolarHBondContact CG1-CD2 3.38Å; V175-H198 WeakPolarHBondContact CG1-NE2 3.45Å
176D85.3Confident81.7Confident3 Ų356.6 Ų56.62%0.01629%0.286CS..  trans-145.678.8-172.7-169.3-17.5000110.8L172 K178 M179 A180 P204 H205 S206L172-D176 HydrophobicContact CD1-CB 4.07Å; L172-D176 CarbonylContact O-C 3.05Å; L172-D176 WeakPolarHBondContact O-CA 3.49Å; L172-D176 PolarHBondContact O-N 3.05Å; L172-D176 VanDerWaalsContact O-O 3.09Å; D176-K178 PolarHBondContact O-N 2.93Å; D176-K178 VanDerWaalsContact O-N 3.15Å; D176-K178 PolarHBondContact OD1-N 3.44Å; D176-M179 HydrophobicContact CB-CB 4.19Å; D176-M179 PolarHBondContact O-N 3.43Å; D176-M179 PolarHBondContact OD1-N 3.48Å; D176-M179 WeakPolarHBondContact OD2-CB 3.43Å; D176-M179 WeakPolarHBondContact OD2-CG 3.49Å; D176-A180 WeakPolarHBondContact O-CB 3.5Å; D176-A180 PolarHBondContact O-N 3.26Å; D176-P204 HydrophobicContact CB-CB 4.19Å; D176-H205 PolarHBondContact OD2-N 3.22Å; D176-H205 VanDerWaalsContact OD2-N 3.08Å; D176-S206 WeakPolarHBondContact OD1-CB 3.42Å; D176-S206 PolarHBondContact OD1-OG 3.47Å; D176-S206 WeakPolarHBondContact OD2-CB 3.48Å; D176-S206 PolarHBondContact OD2-N 2.82Å; D176-S206 PolarHBondContact OD2-OG 2.86Å; D176-S206 VanDerWaalsContact OD2-OG 3.06Å
177P84.2Confident81.6Confident90 Ų9052.7 Ų52.758%0.58427%0.269SS*.Hα-helixtrans-61.1-28.1-177.723.2-33.5000112.3S181P177-S181 PolarHBondContact O-N 2.8Å
178K82.9Confident81.4Confident88 Ų8854.1 Ų54.138%0.38328%0.275SS..Hα-helixtrans-69.1-47.5178.7-168.2171.2-171.8175.10110.8D176 S181 M182 E210D176-K178 PolarHBondContact O-N 2.93Å; D176-K178 VanDerWaalsContact O-N 3.15Å; D176-K178 PolarHBondContact OD1-N 3.44Å; K178-S181 PolarHBondContact O-N 2.98Å; K178-S181 PolarHBondContact O-OG 3.48Å; K178-M182 HydrophobicContact CG-CE 4.19Å; K178-E210 WeakPolarHBondContact CE-OE1 3.29Å; K178-E210 IonicContact NZ-OE1 2.82Å; K178-E210 PolarHBondContact NZ-OE1 3.36Å; K178-E210 IonicContact NZ-OE2 2.56Å; K178-E210 PolarHBondContact NZ-OE2 3.28Å
179M80.8Confident81Confident15 Ų1561.1 Ų61.17%0.07430%0.301CS..Hα-helixtrans-66.8-39.5173-77.5-55.1-6700112.7L172 D176 S181 M182 L183 H205L172-M179 HydrophobicContact CD1-CB 4.5Å; L172-M179 HydrophobicContact CD2-CB 4.4Å; D176-M179 HydrophobicContact CB-CB 4.19Å; D176-M179 PolarHBondContact O-N 3.43Å; D176-M179 PolarHBondContact OD1-N 3.48Å; D176-M179 WeakPolarHBondContact OD2-CB 3.43Å; D176-M179 WeakPolarHBondContact OD2-CG 3.49Å; M179-S181 PolarHBondContact O-N 2.98Å; M179-M182 PolarHBondContact O-N 3.22Å; M179-L183 HydrophobicContact CE-CD1 3.9Å; M179-L183 HydrophobicContact CE-CG 4.15Å; M179-L183 PolarHBondContact O-N 3.02Å; M179-H205 HydrophobicContact CG-CB 4.22Å
180A81.9Confident80.7Confident2 Ų266.4 Ų66.42%0.01732%0.323CS..Hα-helixtrans-61-3217800000112.6H169 L172 A173 D176 M182H169-A180 PolarHBondContact CE1-O 3.24Å; H169-A180 VanDerWaalsContact CE1-O 3.23Å; H169-A180 PolarHBondContact NE2-O 2.75Å; L172-A180 HydrophobicContact CD2-CB 4.45Å; L172-A180 HydrophobicContact CG-CB 4.18Å; A173-A180 HydrophobicContact CB-CB 3.76Å; D176-A180 WeakPolarHBondContact O-CB 3.5Å; D176-A180 PolarHBondContact O-N 3.26Å; A180-M182 VanDerWaalsContact C-N 3.3Å; A180-M182 PolarHBondContact O-N 2.93Å
181S80.3Confident80.6Confident44 Ų4460.7 Ų60.731%0.30830%0.299SS..Hα-helixtrans-67.7-29.5173.7770000113.3P177 K178 M179P177-S181 PolarHBondContact O-N 2.8Å; K178-S181 PolarHBondContact O-N 2.98Å; K178-S181 PolarHBondContact O-OG 3.48Å; M179-S181 PolarHBondContact O-N 2.98Å
182M75.6Confident80.4Confident52 Ų5256.6 Ų56.626%0.25629%0.287SS..Hα-helixtrans-89.5-28.6-176.9-62.9-169.7-164.400113.5K178 M179 A180K178-M182 HydrophobicContact CG-CE 4.19Å; M179-M182 PolarHBondContact O-N 3.22Å; A180-M182 VanDerWaalsContact C-N 3.3Å; A180-M182 PolarHBondContact O-N 2.93Å
183L78.4Confident80.1Confident20 Ų2061.4 Ų61.411%0.10531%0.305CS..SBendtrans-97.7132-177.3-64-179.4000111.1H169 L172 M179 K190 V191H169-L183 PolarHBondContact CD2-O 2.76Å; H169-L183 PolarHBondContact NE2-O 2.88Å; L172-L183 HydrophobicContact CD2-CD1 3.97Å; M179-L183 HydrophobicContact CE-CD1 3.9Å; M179-L183 HydrophobicContact CE-CG 4.15Å; M179-L183 PolarHBondContact O-N 3.02Å; L183-K190 HydrophobicContact CD1-CB 4.09Å; L183-K190 HydrophobicContact CD2-CB 4.07Å; L183-K190 HydrophobicContact CD2-CD 3.85Å; L183-V191 HydrophobicContact CB-CG2 4.2Å; L183-V191 HydrophobicContact CD1-CG2 4.32Å
184H77.9Confident79.7Confident46 Ų4659.5 Ų59.521%0.21329%0.289CS..  trans-73.8141.9173.2-169.3-83.5000110.2N186 D187 I406 I408H184-N186 VanDerWaalsContact CE1-CG 3.46Å; H184-N186 PolarHBondContact CE1-ND2 3.22Å; H184-N186 VanDerWaalsContact ND1-CB 3.34Å; H184-N186 WeakPolarHBondContact ND1-CB 3.45Å; H184-N186 PolarHBondContact ND1-N 3.39Å; H184-N186 PolarHBondContact O-N 2.73Å; H184-N186 VanDerWaalsContact O-N 3.12Å; H184-D187 WeakPolarHBondContact O-CB 3.19Å; H184-D187 PolarHBondContact O-N 3.02Å; H184-I406 PolarHBondContact NE2-O 3.06Å; H184-I408 HydrophobicContact CB-CD1 3.79Å
185P78Confident79.4Confident6 Ų652.2 Ų52.24%0.03926%0.255CS..THydrogen-bonded Turntrans-57-30179.3-27.134.2000114.8H169 D187 I406H169-P185 HydrophobicContact CB-CB 3.89Å; H169-P185 HydrophobicContact CB-CG 4.1Å; P185-D187 PolarHBondContact O-N 3.09Å; P185-I406 HydrophobicContact CG-CD1 3.59Å
186N75.6Confident79.1Confident124 Ų12451.9 Ų51.966%0.66325%0.251SS*.THydrogen-bonded Turntrans-69.2-16.1174.9-64.4-9.1000114H184 K188H184-N186 VanDerWaalsContact CE1-CG 3.46Å; H184-N186 PolarHBondContact CE1-ND2 3.22Å; H184-N186 VanDerWaalsContact ND1-CB 3.34Å; H184-N186 WeakPolarHBondContact ND1-CB 3.45Å; H184-N186 PolarHBondContact ND1-N 3.39Å; H184-N186 PolarHBondContact O-N 2.73Å; H184-N186 VanDerWaalsContact O-N 3.12Å; N186-K188 PolarHBondContact O-N 3.33Å
187D75.6Confident78.8Confident62 Ų6252.4 Ų52.433%0.33225%0.253SS..  trans-79.952.3176.5-80.9-1.2000110.7H184 P185 R189 K190 V191H184-D187 WeakPolarHBondContact O-CB 3.19Å; H184-D187 PolarHBondContact O-N 3.02Å; P185-D187 PolarHBondContact O-N 3.09Å; D187-R189 PolarHBondContact O-N 3.5Å; D187-K190 HydrophobicContact CB-CB 4.34Å; D187-K190 HydrophobicContact CB-CD 4.31Å; D187-K190 PolarHBondContact O-N 2.98Å; D187-K190 IonicContact OD2-NZ 3.22Å; D187-K190 PolarHBondContact OD2-NZ 2.83Å; D187-V191 PolarHBondContact O-N 3.06Å
188K76.4Confident78.5Confident107 Ų10750.2 Ų50.247%0.46524%0.235SC..Hα-helixtrans-46.1-44.5-172.8-63.4-170.6-178.9-171.80113.2N186 K190 V191 A192N186-K188 PolarHBondContact O-N 3.33Å; K188-K190 PolarHBondContact O-N 2.97Å; K188-V191 PolarHBondContact O-N 3.37Å; K188-A192 VanDerWaalsContact O-CB 3.23Å; K188-A192 WeakPolarHBondContact O-CB 3.41Å; K188-A192 PolarHBondContact O-N 3.4Å
189R73.7Confident78.4Confident149 Ų14950 Ų5056%0.56224%0.238SC*.Hα-helixtrans-61.6-41.8-179.9-65.8-176.3-177.6-179.2-1.7112.9D187 R193D187-R189 PolarHBondContact O-N 3.5Å; R189-R193 WeakPolarHBondContact O-CB 3.31Å; R189-R193 PolarHBondContact O-N 2.61Å
190K77Confident78.1Confident119 Ų11953 Ų5352%0.51725%0.254SS..Hα-helixtrans-74.2-38.7179.5-64.7-178.2-166.9150.40111.4L183 D187 K188 R193 S194L183-K190 HydrophobicContact CD1-CB 4.09Å; L183-K190 HydrophobicContact CD2-CB 4.07Å; L183-K190 HydrophobicContact CD2-CD 3.85Å; D187-K190 HydrophobicContact CB-CB 4.34Å; D187-K190 HydrophobicContact CB-CD 4.31Å; D187-K190 PolarHBondContact O-N 2.98Å; D187-K190 IonicContact OD2-NZ 3.22Å; D187-K190 PolarHBondContact OD2-NZ 2.83Å; K188-K190 PolarHBondContact O-N 2.97Å; K190-R193 PolarHBondContact O-N 3.44Å; K190-S194 WeakPolarHBondContact O-CB 3.42Å; K190-S194 PolarHBondContact O-N 3.31Å
191V81.1Confident77.8Confident0 Ų054.9 Ų54.90%027%0.266CS..Hα-helixtrans-63.2-49.1176.2177.50000109.9L168 L172 L183 D187 K188 R193 S194 L195L168-V191 HydrophobicContact CB-CG1 3.76Å; L168-V191 WeakPolarHBondContact O-CG1 3.48Å; L172-V191 HydrophobicContact CB-CG1 4Å; L172-V191 HydrophobicContact CD2-CB 4.38Å; L172-V191 HydrophobicContact CD2-CG1 3.92Å; L172-V191 HydrophobicContact CD2-CG2 4.32Å; L183-V191 HydrophobicContact CB-CG2 4.2Å; L183-V191 HydrophobicContact CD1-CG2 4.32Å; D187-V191 PolarHBondContact O-N 3.06Å; K188-V191 PolarHBondContact O-N 3.37Å; V191-R193 PolarHBondContact O-N 3.21Å; V191-S194 WeakPolarHBondContact O-CB 3.36Å; V191-S194 PolarHBondContact O-N 3.42Å; V191-L195 HydrophobicContact CG1-CD1 4.43Å; V191-L195 PolarHBondContact O-N 3.22Å
192A79.7Confident77.6Confident15 Ų1555.3 Ų55.312%0.12428%0.277CS..Hα-helixtrans-59.6-44.117600000112.1L160 K188 S194 L195 Q196L160-A192 HydrophobicContact CB-CB 4.49Å; K188-A192 VanDerWaalsContact O-CB 3.23Å; K188-A192 WeakPolarHBondContact O-CB 3.41Å; K188-A192 PolarHBondContact O-N 3.4Å; A192-S194 VanDerWaalsContact C-N 3.33Å; A192-S194 PolarHBondContact O-N 2.94Å; A192-L195 PolarHBondContact O-N 3.48Å; A192-Q196 WeakPolarHBondContact O-CB 3.21Å; A192-Q196 PolarHBondContact O-N 2.79Å
193R78.5Confident77.8Confident101 Ų10154.9 Ų54.938%0.38128%0.277SS..Hα-helixtrans-62.9-39.1175.5-177.458.4177.6170.73.1112.3R189 K190 V191 Q196 I197R189-R193 WeakPolarHBondContact O-CB 3.31Å; R189-R193 PolarHBondContact O-N 2.61Å; K190-R193 PolarHBondContact O-N 3.44Å; V191-R193 PolarHBondContact O-N 3.21Å; R193-Q196 PolarHBondContact O-N 3.39Å; R193-I197 HydrophobicContact CG-CD1 4.12Å; R193-I197 VanDerWaalsContact O-CG1 3.3Å; R193-I197 WeakPolarHBondContact O-CG1 3.05Å; R193-I197 PolarHBondContact O-N 2.97Å
194S78.8Confident78Confident0 Ų055.8 Ų55.80%028%0.284CS..Hα-helixtrans-65.2-40.2177.9-161.80000112.1L172 K190 V191 A192 H198 H205L172-S194 WeakPolarHBondContact CD1-OG 3.44Å; K190-S194 WeakPolarHBondContact O-CB 3.42Å; K190-S194 PolarHBondContact O-N 3.31Å; V191-S194 WeakPolarHBondContact O-CB 3.36Å; V191-S194 PolarHBondContact O-N 3.42Å; A192-S194 VanDerWaalsContact C-N 3.33Å; A192-S194 PolarHBondContact O-N 2.94Å; S194-H198 PolarHBondContact O-N 3.42Å; S194-H205 WeakPolarHBondContact OG-CB 3.46Å; S194-H205 PolarHBondContact OG-ND1 3.4Å
195L79.9Confident78Confident6 Ų655.1 Ų55.13%0.03128%0.281CS..Hα-helixtrans-67-40.7173.2-75.3173.4000111.8L160 L168 R171 L172 V191 A192 H198 N199L160-L195 HydrophobicContact CD1-CB 4.44Å; L160-L195 HydrophobicContact CD2-CD1 4.35Å; L168-L195 HydrophobicContact CD2-CD1 4.05Å; R171-L195 HydrophobicContact CB-CD1 4.14Å; R171-L195 HydrophobicContact CB-CD2 4.28Å; L172-L195 HydrophobicContact CB-CD2 4.1Å; L172-L195 HydrophobicContact CB-CG 4.2Å; L172-L195 HydrophobicContact CD1-CD2 4.1Å; L172-L195 HydrophobicContact CD1-CG 4.23Å; V191-L195 HydrophobicContact CG1-CD1 4.43Å; V191-L195 PolarHBondContact O-N 3.22Å; A192-L195 PolarHBondContact O-N 3.48Å; L195-H198 PolarHBondContact O-N 3Å; L195-N199 VanDerWaalsContact O-CG 3.24Å; L195-N199 PolarHBondContact O-N 3.29Å; L195-N199 PolarHBondContact O-OD1 2.7Å
196Q79.9Confident78Confident41 Ų4155.5 Ų55.519%0.19228%0.284CS..Hα-helixtrans-59.9-48.4175.8-177.3-176.714.100111.1A192 R193 H198 N199 D200A192-Q196 WeakPolarHBondContact O-CB 3.21Å; A192-Q196 PolarHBondContact O-N 2.79Å; R193-Q196 PolarHBondContact O-N 3.39Å; Q196-H198 PolarHBondContact O-N 3.46Å; Q196-N199 PolarHBondContact O-N 2.88Å; Q196-N199 VanDerWaalsContact O-N 3.07Å; Q196-D200 VanDerWaalsContact CG-OD2 3.22Å; Q196-D200 WeakPolarHBondContact CG-OD2 3.38Å; Q196-D200 WeakPolarHBondContact O-CB 3.21Å; Q196-D200 PolarHBondContact O-N 3.4Å
197I77.6Confident78.2Confident14 Ų1456.7 Ų56.77%0.07228%0.279CS..Hα-helixtrans-56.3-43.2176.9-69.6164.7000110.6R193 D200 T201 H205R193-I197 HydrophobicContact CG-CD1 4.12Å; R193-I197 VanDerWaalsContact O-CG1 3.3Å; R193-I197 WeakPolarHBondContact O-CG1 3.05Å; R193-I197 PolarHBondContact O-N 2.97Å; I197-D200 PolarHBondContact O-N 2.83Å; I197-T201 HydrophobicContact CG2-CG2 4.44Å; I197-T201 WeakPolarHBondContact O-CB 3.36Å; I197-T201 WeakPolarHBondContact O-CG2 3.42Å; I197-T201 PolarHBondContact O-N 2.77Å; I197-T201 PolarHBondContact O-OG1 2.92Å; I197-H205 HydrophobicContact CG2-CB 4.32Å
198H79.8Confident78Confident44 Ų4456 Ų5620%0.20427%0.272CS..Hα-helixtrans-65.1-42.1176.4-178.967.5000112.9V175 S194 L195 Q196 D200 G202 V203V175-H198 HydrophobicContact CG1-CB 3.84Å; V175-H198 WeakPolarHBondContact CG1-CD2 3.38Å; V175-H198 WeakPolarHBondContact CG1-NE2 3.45Å; S194-H198 PolarHBondContact O-N 3.42Å; L195-H198 PolarHBondContact O-N 3Å; Q196-H198 PolarHBondContact O-N 3.46Å; H198-D200 VanDerWaalsContact C-N 3.3Å; H198-D200 PolarHBondContact O-N 3.39Å; H198-G202 PolarHBondContact CE1-O 2.92Å; H198-G202 VanDerWaalsContact CE1-O 3.28Å; H198-G202 WeakPolarHBondContact O-CA 3.4Å; H198-G202 PolarHBondContact O-N 2.91Å; H198-V203 WeakPolarHBondContact CA-O 3.34Å; H198-V203 PolarHBondContact ND1-O 3.09Å
199N79.8Confident77.8Confident83 Ų8353.5 Ų53.544%0.44426%0.263SS..Hα-helixtrans-65.4-35.8178.8-69.8-13.2000112.2L195 Q196L195-N199 VanDerWaalsContact O-CG 3.24Å; L195-N199 PolarHBondContact O-N 3.29Å; L195-N199 PolarHBondContact O-OD1 2.7Å; Q196-N199 PolarHBondContact O-N 2.88Å; Q196-N199 VanDerWaalsContact O-N 3.07Å
200D73.9Confident77.7Confident78 Ų7849.6 Ų49.642%0.41725%0.251SS..Hα-helixtrans-82.2-37.6-176.3-61.8-15.5000111.3Q196 I197 H198Q196-D200 VanDerWaalsContact CG-OD2 3.22Å; Q196-D200 WeakPolarHBondContact CG-OD2 3.38Å; Q196-D200 WeakPolarHBondContact O-CB 3.21Å; Q196-D200 PolarHBondContact O-N 3.4Å; I197-D200 PolarHBondContact O-N 2.83Å; H198-D200 VanDerWaalsContact C-N 3.3Å; H198-D200 PolarHBondContact O-N 3.39Å
201T75.5Confident77.3Confident42 Ų4248.1 Ų48.126%0.25825%0.246SC..Hα-helixtrans-102.8-15.6-175.4660000114.5I197 V203I197-T201 HydrophobicContact CG2-CG2 4.44Å; I197-T201 WeakPolarHBondContact O-CB 3.36Å; I197-T201 WeakPolarHBondContact O-CG2 3.42Å; I197-T201 PolarHBondContact O-N 2.77Å; I197-T201 PolarHBondContact O-OG1 2.92Å; T201-V203 PolarHBondContact O-N 2.84Å; T201-V203 VanDerWaalsContact O-N 3.12Å; T201-V203 PolarHBondContact OG1-N 3.27Å
202G77.5Confident76.4Confident52 Ų5249.5 Ų49.554%0.53625%0.253SS..SBendtrans69.8-5.6-170.200000114.8H198H198-G202 PolarHBondContact CE1-O 2.92Å; H198-G202 VanDerWaalsContact CE1-O 3.28Å; H198-G202 WeakPolarHBondContact O-CA 3.4Å; H198-G202 PolarHBondContact O-N 2.91Å
203V80.1Confident75.6Confident44 Ų4452.3 Ų52.327%0.26726%0.26SS..SBendtrans-101.2137.8-176-177.30000110.1H198 T201 H205 R207H198-V203 WeakPolarHBondContact CA-O 3.34Å; H198-V203 PolarHBondContact ND1-O 3.09Å; T201-V203 PolarHBondContact O-N 2.84Å; T201-V203 VanDerWaalsContact O-N 3.12Å; T201-V203 PolarHBondContact OG1-N 3.27Å; V203-H205 PolarHBondContact O-N 3.03Å; V203-R207 HydrophobicContact CG1-CB 4.17Å; V203-R207 HydrophobicContact CG1-CG 4.27Å
204P81.8Confident74.4Confident39 Ų3955.8 Ų55.825%0.25328%0.281SS..  trans-58.5132.5171.7-24.534.4000111.1D176 S206 R207 W208D176-P204 HydrophobicContact CB-CB 4.19Å; P204-S206 PolarHBondContact O-N 3.27Å; P204-R207 HydrophobicContact CB-CB 4.48Å; P204-R207 WeakPolarHBondContact O-CB 3.46Å; P204-R207 PolarHBondContact O-N 3.01Å; P204-W208 PolarHBondContact O-N 2.97Å; P204-W208 VanDerWaalsContact O-N 3.08Å
205H77.7Confident72.9Confident31 Ų3158.1 Ų58.114%0.14431%0.305CS..Hα-helixtrans-59.9-31.3-176.3-179.7-158.6000112.8D176 M179 S194 I197 V203 R207 W208 L209D176-H205 PolarHBondContact OD2-N 3.22Å; D176-H205 VanDerWaalsContact OD2-N 3.08Å; M179-H205 HydrophobicContact CG-CB 4.22Å; S194-H205 WeakPolarHBondContact OG-CB 3.46Å; S194-H205 PolarHBondContact OG-ND1 3.4Å; I197-H205 HydrophobicContact CG2-CB 4.32Å; V203-H205 PolarHBondContact O-N 3.03Å; H205-R207 VanDerWaalsContact C-N 3.34Å; H205-R207 PolarHBondContact O-N 3.17Å; H205-W208 PolarHBondContact O-N 3.46Å; H205-L209 WeakPolarHBondContact O-CB 3.5Å; H205-L209 PolarHBondContact O-N 3.45Å
206S78.8Confident71.5Confident15 Ų1559 Ų5911%0.10532%0.316CS..Hα-helixtrans-61.5-40.8173.451.20000112.9D176 P204 E210D176-S206 WeakPolarHBondContact OD1-CB 3.42Å; D176-S206 PolarHBondContact OD1-OG 3.47Å; D176-S206 WeakPolarHBondContact OD2-CB 3.48Å; D176-S206 PolarHBondContact OD2-N 2.82Å; D176-S206 PolarHBondContact OD2-OG 2.86Å; D176-S206 VanDerWaalsContact OD2-OG 3.06Å; P204-S206 PolarHBondContact O-N 3.27Å; S206-E210 PolarHBondContact O-N 2.87Å; S206-E210 VanDerWaalsContact O-N 3.11Å
207R78.8Confident70.2Confident149 Ų14958 Ų5856%0.56231%0.312SS*.Hα-helixtrans-71.3-44.1179.2-178.9178173.3168.91.9110.6V203 P204 H205 L209 E210 E211V203-R207 HydrophobicContact CG1-CB 4.17Å; V203-R207 HydrophobicContact CG1-CG 4.27Å; P204-R207 HydrophobicContact CB-CB 4.48Å; P204-R207 WeakPolarHBondContact O-CB 3.46Å; P204-R207 PolarHBondContact O-N 3.01Å; H205-R207 VanDerWaalsContact C-N 3.34Å; H205-R207 PolarHBondContact O-N 3.17Å; R207-L209 VanDerWaalsContact C-N 3.31Å; R207-L209 PolarHBondContact O-N 3.13Å; R207-E210 WeakPolarHBondContact O-CA 3.33Å; R207-E210 WeakPolarHBondContact O-CB 3.33Å; R207-E210 PolarHBondContact O-N 3.45Å; R207-E211 WeakPolarHBondContact CG-OE1 3.45Å; R207-E211 IonicContact CZ-OE1 2.81Å; R207-E211 IonicContact NE-OE1 2.92Å; R207-E211 PolarHBondContact NE-OE1 3.12Å; R207-E211 IonicContact NH2-OE1 2.69Å; R207-E211 PolarHBondContact O-N 2.85Å
208W72.4Confident69Low48 Ų4859.5 Ų59.518%0.18233%0.33CS..Hα-helixtrans-55.8-47.6174-168.776.3000111.2D138 P204 H205 E210 E211 Q212D138-W208 WeakPolarHBondContact O-CZ2 3.47Å; P204-W208 PolarHBondContact O-N 2.97Å; P204-W208 VanDerWaalsContact O-N 3.08Å; H205-W208 PolarHBondContact O-N 3.46Å; W208-E210 PolarHBondContact O-N 3.28Å; W208-E211 PolarHBondContact O-N 2.94Å; W208-Q212 HydrophobicContact CD2-CG 4.47Å; W208-Q212 VanDerWaalsContact CE2-NE2 3.3Å; W208-Q212 VanDerWaalsContact CZ3-OE1 3.3Å; W208-Q212 WeakPolarHBondContact O-CB 3.42Å; W208-Q212 WeakPolarHBondContact O-CG 3.35Å; W208-Q212 PolarHBondContact O-N 3.05Å
209L70.8Confident67.9Low53 Ų5357.9 Ų57.928%0.27732%0.323SS..Hα-helixtrans-65.9-23176.7-168.763.4000113.4H205 R207 R213H205-L209 WeakPolarHBondContact O-CB 3.5Å; H205-L209 PolarHBondContact O-N 3.45Å; R207-L209 VanDerWaalsContact C-N 3.31Å; R207-L209 PolarHBondContact O-N 3.13Å; L209-R213 WeakPolarHBondContact O-CD 3.46Å; L209-R213 WeakPolarHBondContact O-CG 3.26Å; L209-R213 PolarHBondContact O-N 3.12Å; L209-R213 PolarHBondContact O-NE 3.02Å
210E72.3Confident66.7Low67 Ų6754.4 Ų54.431%0.31331%0.307SS..Hα-helixtrans-80-41.7175.1-88.3164.9-163.600112.9K178 S206 R207 W208 Q212 R213 Q214K178-E210 WeakPolarHBondContact CE-OE1 3.29Å; K178-E210 IonicContact NZ-OE1 2.82Å; K178-E210 PolarHBondContact NZ-OE1 3.36Å; K178-E210 IonicContact NZ-OE2 2.56Å; K178-E210 PolarHBondContact NZ-OE2 3.28Å; S206-E210 PolarHBondContact O-N 2.87Å; S206-E210 VanDerWaalsContact O-N 3.11Å; R207-E210 WeakPolarHBondContact O-CA 3.33Å; R207-E210 WeakPolarHBondContact O-CB 3.33Å; R207-E210 PolarHBondContact O-N 3.45Å; W208-E210 PolarHBondContact O-N 3.28Å; E210-Q212 VanDerWaalsContact C-N 3.28Å; E210-Q212 PolarHBondContact O-N 2.59Å; E210-R213 WeakPolarHBondContact O-CB 3.43Å; E210-R213 PolarHBondContact O-N 3.04Å; E210-Q214 PolarHBondContact O-N 3.2Å
211E69.1Low66.4Low88 Ų8850.8 Ų50.841%0.41129%0.288SS..Hα-helixtrans-62.2-40173.3-70.6168.6-176.800110.2R207 W208 R213 Q214R207-E211 WeakPolarHBondContact CG-OE1 3.45Å; R207-E211 IonicContact CZ-OE1 2.81Å; R207-E211 IonicContact NE-OE1 2.92Å; R207-E211 PolarHBondContact NE-OE1 3.12Å; R207-E211 IonicContact NH2-OE1 2.69Å; R207-E211 PolarHBondContact O-N 2.85Å; W208-E211 PolarHBondContact O-N 2.94Å; E211-R213 PolarHBondContact O-N 2.88Å; E211-Q214 WeakPolarHBondContact O-CB 3.38Å; E211-Q214 PolarHBondContact O-N 3.06Å; E211-Q214 VanDerWaalsContact O-N 3.11Å
212Q62.6Low66.3Low29 Ų2951 Ų5114%0.13629%0.29CS..G310 helixtrans-64.3-23.8172.8-69.3-174.4-26.300114.4V135 W208 E210V135-Q212 HydrophobicContact CG1-CB 3.56Å; V135-Q212 HydrophobicContact CG1-CG 3.28Å; V135-Q212 VanDerWaalsContact CG1-NE2 3.31Å; W208-Q212 HydrophobicContact CD2-CG 4.47Å; W208-Q212 VanDerWaalsContact CE2-NE2 3.3Å; W208-Q212 VanDerWaalsContact CZ3-OE1 3.3Å; W208-Q212 WeakPolarHBondContact O-CB 3.42Å; W208-Q212 WeakPolarHBondContact O-CG 3.35Å; W208-Q212 PolarHBondContact O-N 3.05Å; E210-Q212 VanDerWaalsContact C-N 3.28Å; E210-Q212 PolarHBondContact O-N 2.59Å
213R62.7Low66.3Low75 Ų7550.5 Ų50.528%0.28327%0.274SS..G310 helixtrans-82-15.7175.2-74.4166.9-169.4165.410.3113.1L209 E210 E211 G215 G216L209-R213 WeakPolarHBondContact O-CD 3.46Å; L209-R213 WeakPolarHBondContact O-CG 3.26Å; L209-R213 PolarHBondContact O-N 3.12Å; L209-R213 PolarHBondContact O-NE 3.02Å; E210-R213 WeakPolarHBondContact O-CB 3.43Å; E210-R213 PolarHBondContact O-N 3.04Å; E211-R213 PolarHBondContact O-N 2.88Å; R213-G215 PolarHBondContact O-N 3.28Å; R213-G216 PolarHBondContact O-N 3.24Å
214Q52.9Low66.4Low173 Ų17351.5 Ų51.581%0.80827%0.273SS*.G310 helixtrans-68.6-5.6-178-68.2-1742.400113.5E210 E211E210-Q214 PolarHBondContact O-N 3.2Å; E211-Q214 WeakPolarHBondContact O-CB 3.38Å; E211-Q214 PolarHBondContact O-N 3.06Å; E211-Q214 VanDerWaalsContact O-N 3.11Å
215G47.1Very low66.5Low50 Ų5051 Ų5152%0.51527%0.267SS..G310 helixtrans-116.25176.500000116.7R213 P222R213-G215 PolarHBondContact O-N 3.28Å; G215-P222 WeakPolarHBondContact O-CB 3.14Å; G215-P222 VanDerWaalsContact O-CD 3.29Å; G215-P222 WeakPolarHBondContact O-CD 3.43Å
216G51.1Low66.5Low25 Ų2553.2 Ų53.226%0.25829%0.285SS..SBendtrans177-179.6-179.900000114.2R213R213-G216 PolarHBondContact O-N 3.24Å
217D51.8Low66.5Low20 Ų2058 Ų5811%0.10731%0.309CS..  trans-62.5162.8-178.969.744.2000114L219 G220 S344 V345D217-L219 PolarHBondContact O-N 3.08Å; D217-L219 WeakPolarHBondContact OD1-CB 3.39Å; D217-L219 PolarHBondContact OD1-N 2.78Å; D217-G220 PolarHBondContact O-N 3.17Å; D217-S344 WeakPolarHBondContact CB-OG 3.48Å; D217-S344 PolarHBondContact N-OG 3.32Å; D217-S344 VanDerWaalsContact N-OG 3.12Å; D217-S344 PolarHBondContact OD2-OG 3.44Å; D217-V345 WeakPolarHBondContact OD2-CG2 3.36Å; D217-V345 PolarHBondContact OD2-N 3.33Å
218G53.4Low66.8Low44 Ų4451.3 Ų51.345%0.45429%0.285SS..THydrogen-bonded Turntrans-67.224.7-171.800000117.1R340G218-R340 PolarHBondContact O-NH1 3.11Å
219L55.8Low67.6Low11 Ų1149.1 Ų49.16%0.05828%0.277CS..THydrogen-bonded Turntrans-105.7-31.8175.4-68.7168.2000113.4W133 L136 D217 R336 V345W133-L219 HydrophobicContact CD2-CB 4.22Å; W133-L219 HydrophobicContact CH2-CB 4.39Å; W133-L219 HydrophobicContact CH2-CD1 3.92Å; W133-L219 HydrophobicContact CZ2-CB 3.82Å; W133-L219 HydrophobicContact CZ2-CD1 3.45Å; W133-L219 VanDerWaalsContact CZ2-CD1 3.45Å; W133-L219 HydrophobicContact CZ2-CG 4.25Å; L136-L219 VanDerWaalsContact CD1-O 3.22Å; L136-L219 WeakPolarHBondContact CD1-O 3.31Å; D217-L219 PolarHBondContact O-N 3.08Å; D217-L219 WeakPolarHBondContact OD1-CB 3.39Å; D217-L219 PolarHBondContact OD1-N 2.78Å; L219-R336 WeakPolarHBondContact CD1-O 3.47Å; L219-V345 HydrophobicContact CD1-CG2 4.21Å
220G55.7Low68.6Low10 Ų1046.6 Ų46.610%0.10326%0.264CS..THydrogen-bonded Turntrans16930.2-179.200000115.7V135 D217V135-G220 WeakPolarHBondContact CA-O 3.22Å; V135-G220 WeakPolarHBondContact CB-O 3.33Å; V135-G220 PolarHBondContact N-O 3.36Å; D217-G220 PolarHBondContact O-N 3.17Å
221G66.8Low69.6Low1 Ų143.4 Ų43.41%0.0125%0.249CC..SBendtrans84.1-159.4-178.200000112.9W133W133-G221 VanDerWaalsContact CD1-O 3.28Å
222P72.9Confident70.7Confident46 Ų4639.7 Ų39.730%0.29923%0.231SC..SBendtrans-72.1155.8-177.427.9-31.6000112K134 G215K134-P222 HydrophobicContact CD-CG 4.25Å; K134-P222 PolarHBondContact N-O 3.4Å; K134-P222 VanDerWaalsContact N-O 3.09Å; G215-P222 WeakPolarHBondContact O-CB 3.14Å; G215-P222 VanDerWaalsContact O-CD 3.29Å; G215-P222 WeakPolarHBondContact O-CD 3.43Å
223L78.5Confident72.1Confident42 Ų4238.3 Ų38.322%0.2222%0.224CC..BIsolated β-bridgetrans-61.8140.2172.8-66.4175.3000110.6L132 P228 S344 P346L132-L223 CarbonylContact O-C 3.59Å; L132-L223 WeakPolarHBondContact O-CA 3.41Å; L223-P228 HydrophobicContact CD1-CG 4.18Å; L223-S344 WeakPolarHBondContact CD1-O 3.28Å; L223-S344 WeakPolarHBondContact CG-O 3.35Å; L223-P346 HydrophobicContact CD1-CG 3.88Å; L223-P346 HydrophobicContact CD2-CG 3.68Å; L223-P346 HydrophobicContact CG-CG 4.45Å
224R81.9Confident73.4Confident65 Ų6537.1 Ų37.125%0.24522%0.222CC..SBendtrans-75.9-35.7178.9-167.4178.9-64.1-87.62.3111.9L132 W133 K134L132-R224 PolarHBondContact O-N 3.19Å; W133-R224 PolarHBondContact O-NH2 2.86Å; K134-R224 HydrophobicContact CG-CB 3.92Å; K134-R224 HydrophobicContact CG-CG 4.11Å; K134-R224 PolarHBondContact O-NH2 3.02Å
225F83.4Confident75.1Confident28 Ų2829.4 Ų29.412%0.12319%0.188CC..SBendtrans-114.6140.7-178.9-59-78.8000110.5S26 L27 L105 I108S26-F225 WeakPolarHBondContact OG-CB 3.46Å; L27-F225 HydrophobicContact CD2-CD2 3.8Å; L27-F225 HydrophobicContact CD2-CE2 4.13Å; L105-F225 HydrophobicContact CD2-CE2 4.01Å; L105-F225 HydrophobicContact CD2-CZ 3.72Å; I108-F225 HydrophobicContact CB-CZ 4.32Å; I108-F225 HydrophobicContact CD1-CE2 4.17Å; I108-F225 HydrophobicContact CD1-CZ 3.89Å; I108-F225 HydrophobicContact CG2-CE1 3.56Å; I108-F225 HydrophobicContact CG2-CZ 3.63Å
226P78Confident77.2Confident79 Ų7930.9 Ų30.951%0.51318%0.184SC..SBendtrans-74.2134.1175.830.3-32.8000110.6S26S26-P226 VanDerWaalsContact CB-O 3.31Å; S26-P226 WeakPolarHBondContact CB-O 3.45Å; S26-P226 PolarHBondContact OG-O 3.36Å
227D78.1Confident78.9Confident116 Ų11633.9 Ų33.962%0.6219%0.193SC*.SBendtrans52.454.6174.2-50.5-46.2000115.9
228P86Confident80.8Confident7 Ų740 Ų405%0.04522%0.22CC..  trans-70.2138.1174.626.9-27.2000110.9L27 L132 L223 P346L27-P228 HydrophobicContact CB-CB 4.29Å; L27-P228 WeakPolarHBondContact O-CA 3.19Å; L132-P228 HydrophobicContact CD2-CB 4.07Å; L132-P228 HydrophobicContact CD2-CG 4.18Å; L223-P228 HydrophobicContact CD1-CG 4.18Å; P228-P346 HydrophobicContact CG-CB 3.91Å; P228-P346 HydrophobicContact CG-CG 3.82Å
229C89.3Confident82.6Confident2 Ų239 Ų391%0.01421%0.208CC..EExtended strand (participates in β ladder)trans-97116.1176.5-178.70000110.3P25 L27 V28 V29 F231 L371 L374P25-C229 HydrophobicContact CB-CB 3.94Å; P25-C229 HydrophobicContact CG-CB 4.34Å; L27-C229 PolarHBondContact O-N 3.27Å; V28-C229 WeakPolarHBondContact CA-O 3.46Å; V28-C229 HydrophobicContact CG2-CB 4.48Å; V29-C229 PolarHBondContact N-O 3.17Å; C229-F231 VanDerWaalsContact SG-CZ 3.58Å; C229-L371 HydrophobicContact CB-CD2 4.24Å; C229-L374 HydrophobicContact CB-CD1 3.87Å
230I91.1Very high84.3Confident0 Ų038.7 Ų38.70%021%0.206CC..EExtended strand (participates in β ladder)trans-107.7118.5-179.8-52.6-169.3000110.3V29 L31 L132 F337 P346 A347 V348 Y349V29-I230 HydrophobicContact CB-CG1 4.17Å; V29-I230 HydrophobicContact CB-CG2 4.42Å; V29-I230 HydrophobicContact CG1-CG2 4.42Å; V29-I230 CarbonylContact O-C 3.53Å; V29-I230 WeakPolarHBondContact O-CA 3.48Å; L31-I230 HydrophobicContact CD1-CG2 3.46Å; L31-I230 VanDerWaalsContact CD1-CG2 3.46Å; L31-I230 HydrophobicContact CG-CG2 3.88Å; L132-I230 HydrophobicContact CD1-CD1 3.74Å; L132-I230 HydrophobicContact CD2-CD1 4.45Å; I230-F337 HydrophobicContact CD1-CD1 4.12Å; I230-F337 HydrophobicContact CD1-CE1 3.97Å; I230-P346 HydrophobicContact CD1-CB 3.57Å; I230-P346 HydrophobicContact CD1-CG 3.79Å; I230-P346 HydrophobicContact CG1-CB 3.9Å; I230-A347 PolarHBondContact N-O 3.23Å; I230-V348 HydrophobicContact CB-CG2 4.19Å; I230-V348 HydrophobicContact CD1-CG2 4.48Å; I230-V348 HydrophobicContact CG2-CG1 4.21Å; I230-V348 HydrophobicContact CG2-CG2 4.24Å; I230-V348 CarbonylContact O-C 3.57Å; I230-V348 WeakPolarHBondContact O-CA 3.41Å; I230-Y349 PolarHBondContact O-N 3.19Å
231F93.1Very high86Confident0 Ų039.5 Ų39.50%021%0.209CC..EExtended strand (participates in β ladder)trans-94.5131.7167.4-66-64000110.5V28 V29 I30 L31 I45 C229 L233 Y349 L351 A367 I370 L371V28-F231 HydrophobicContact CG1-CD2 3.96Å; V28-F231 HydrophobicContact CG1-CE2 3.95Å; V29-F231 PolarHBondContact O-N 2.93Å; I30-F231 HydrophobicContact CG1-CB 4.46Å; I30-F231 HydrophobicContact CG1-CD2 4.39Å; L31-F231 PolarHBondContact N-O 3.04Å; I45-F231 HydrophobicContact CD1-CD2 4.49Å; I45-F231 HydrophobicContact CD1-CE2 4.31Å; C229-F231 VanDerWaalsContact SG-CZ 3.58Å; F231-L233 HydrophobicContact CB-CD1 4.25Å; F231-Y349 CarbonylContact C-O 3.51Å; F231-Y349 WeakPolarHBondContact CA-O 3.41Å; F231-Y349 HydrophobicContact CE1-CD2 4.47Å; F231-L351 HydrophobicContact CB-CD1 4.13Å; F231-L351 HydrophobicContact CD1-CD1 3.69Å; F231-L351 HydrophobicContact CD1-CG 4.16Å; F231-L351 HydrophobicContact CE1-CD1 4.41Å; F231-L351 HydrophobicContact CG-CD1 4.05Å; F231-A367 HydrophobicContact CE1-CB 4.11Å; F231-A367 HydrophobicContact CE2-CB 4.49Å; F231-A367 HydrophobicContact CZ-CB 4.07Å; F231-I370 HydrophobicContact CE1-CB 4.14Å; F231-I370 HydrophobicContact CE1-CD1 3.92Å; F231-I370 HydrophobicContact CE1-CG2 4.02Å; F231-I370 HydrophobicContact CZ-CB 4.26Å; F231-I370 HydrophobicContact CZ-CG2 4.11Å; F231-L371 HydrophobicContact CE2-CD1 4.01Å; F231-L371 HydrophobicContact CE2-CD2 3.92Å; F231-L371 HydrophobicContact CE2-CG 3.94Å; F231-L371 HydrophobicContact CZ-CD1 4.29Å; F231-L371 HydrophobicContact CZ-CD2 4.08Å; F231-L371 HydrophobicContact CZ-CG 3.85Å
232W92.8Very high87.3Confident10 Ų1046.1 Ų46.14%0.03824%0.239CC..EExtended strand (participates in β ladder)trans-115.9109.6171.3176.139.8000110.4L31 H234 V333 R334 L338 V348 Y349 S350 L351 I385L31-W232 WeakPolarHBondContact O-CA 3.29Å; W232-H234 HydrophobicContact CD2-CB 4.44Å; W232-H234 HydrophobicContact CH2-CB 4.21Å; W232-H234 HydrophobicContact CZ2-CB 3.99Å; W232-H234 PolarHBondContact O-N 2.68Å; W232-V333 HydrophobicContact CD2-CG1 3.92Å; W232-V333 HydrophobicContact CG-CG1 3.84Å; W232-R334 HydrophobicContact CH2-CG 3.97Å; W232-R334 HydrophobicContact CZ2-CG 4.21Å; W232-L338 HydrophobicContact CE3-CD1 3.74Å; W232-L338 HydrophobicContact CH2-CD1 3.93Å; W232-L338 HydrophobicContact CZ3-CD1 3.36Å; W232-V348 HydrophobicContact CB-CG1 3.84Å; W232-Y349 PolarHBondContact N-O 2.99Å; W232-S350 WeakPolarHBondContact O-CA 3.48Å; W232-L351 PolarHBondContact O-N 2.88Å; W232-I385 HydrophobicContact CE3-CD1 4.32Å; W232-I385 HydrophobicContact CZ3-CD1 4.27Å
233L92.4Very high88.2Confident0 Ų046.5 Ų46.50%024%0.235CC..EExtended strand (participates in β ladder)trans-82115.3176.6-75.762.9000108.2I30 L31 T36 K38 L41 F231 L351 V353 W359I30-L233 HydrophobicContact CG2-CD1 3.71Å; L31-L233 PolarHBondContact O-N 3.12Å; T36-L233 WeakPolarHBondContact O-CD2 3.33Å; K38-L233 HydrophobicContact CG-CD2 4.38Å; L41-L233 HydrophobicContact CB-CD2 4.46Å; L41-L233 HydrophobicContact CD2-CD1 3.73Å; L41-L233 HydrophobicContact CD2-CD2 4.25Å; L41-L233 HydrophobicContact CD2-CG 4.4Å; F231-L233 HydrophobicContact CB-CD1 4.25Å; L233-L351 WeakPolarHBondContact CA-O 3.43Å; L233-L351 HydrophobicContact CD1-CD1 4.26Å; L233-V353 HydrophobicContact CB-CG1 4.05Å; L233-V353 HydrophobicContact CB-CG2 4.31Å; L233-V353 HydrophobicContact CD2-CG1 4.05Å; L233-V353 HydrophobicContact CG-CG1 3.93Å; L233-W359 HydrophobicContact CD2-CH2 4.21Å
234H89.3Confident89Confident50 Ų5044.5 Ų44.523%0.23122%0.224CC..EExtended strand (participates in β ladder)trans-117.1149.6176.874.582000111.1W232 L351 D352 V353W232-H234 HydrophobicContact CD2-CB 4.44Å; W232-H234 HydrophobicContact CH2-CB 4.21Å; W232-H234 HydrophobicContact CZ2-CB 3.99Å; W232-H234 PolarHBondContact O-N 2.68Å; H234-L351 PolarHBondContact CD2-O 3.06Å; H234-L351 PolarHBondContact N-O 2.97Å; H234-D352 IonicContact CE1-OD1 2.75Å; H234-V353 WeakPolarHBondContact O-CG2 3.49Å; H234-V353 PolarHBondContact O-N 2.98Å
235A89.1Confident89.5Confident12 Ų1243.3 Ų43.310%0.09922%0.223CC..  trans-133155.8175.400000109L240 V353A235-L240 HydrophobicContact CB-CB 4.06Å; A235-L240 HydrophobicContact CB-CD1 4.45Å; A235-V353 HydrophobicContact CB-CG2 4Å
236D90.2Very high90Very high80 Ų8044.8 Ų44.843%0.42824%0.24SC..  trans-55.7145.5158.5-178.361.5000111.4E238 A239 L240 T354D236-E238 WeakPolarHBondContact OD2-CB 3.4Å; D236-E238 PolarHBondContact OD2-N 3.27Å; D236-A239 HydrophobicContact CB-CB 4.39Å; D236-L240 VanDerWaalsContact O-CB 3.23Å; D236-L240 WeakPolarHBondContact O-CB 3.41Å; D236-L240 PolarHBondContact O-N 3.22Å; D236-T354 HydrophobicContact CB-CG2 3.81Å; D236-T354 PolarHBondContact N-OG1 3.23Å
237M87.8Confident90.7Very high89 Ų8943.3 Ų43.344%0.43822%0.224SC..Hα-helixtrans-69-35.1-174.1-75.4-174.851.700113D241 R327M237-D241 WeakPolarHBondContact O-CB 3.28Å; M237-D241 PolarHBondContact O-N 2.83Å; M237-R327 HydrophobicContact CE-CG 4.12Å; M237-R327 VanDerWaalsContact CE-NE 3.32Å
238E90.6Very high91.5Very high147 Ų14737.9 Ų37.969%0.68720%0.195SC*.Hα-helixtrans-72.5-47.2-179-62-177.7175.800110.2D236 L240 D241 Q242D236-E238 WeakPolarHBondContact OD2-CB 3.4Å; D236-E238 PolarHBondContact OD2-N 3.27Å; E238-L240 VanDerWaalsContact C-N 3.25Å; E238-L240 PolarHBondContact O-N 3.08Å; E238-D241 PolarHBondContact O-N 3.49Å; E238-Q242 WeakPolarHBondContact O-CG 2.92Å; E238-Q242 PolarHBondContact O-N 3.4Å
239A91.3Very high91.9Very high24 Ų2441 Ų4120%0.19821%0.211CC..Hα-helixtrans-62.2-32.917500000112.4D236 R243 T354D236-A239 HydrophobicContact CB-CB 4.39Å; A239-R243 WeakPolarHBondContact O-CG 3.36Å; A239-R243 PolarHBondContact O-N 2.81Å; A239-R243 PolarHBondContact O-NE 2.92Å; A239-R243 VanDerWaalsContact O-NE 3.09Å; A239-T354 HydrophobicContact CB-CG2 4Å
240L91.5Very high92.1Very high4 Ų447.1 Ų47.12%0.02124%0.24CC..Hα-helixtrans-71.6-46174.3-174.561.3000111.5A33 T36 A235 D236 E238 Q242 R243 L244 A326A33-L240 HydrophobicContact CB-CD2 3.92Å; T36-L240 HydrophobicContact CG2-CD1 4.05Å; A235-L240 HydrophobicContact CB-CB 4.06Å; A235-L240 HydrophobicContact CB-CD1 4.45Å; D236-L240 VanDerWaalsContact O-CB 3.23Å; D236-L240 WeakPolarHBondContact O-CB 3.41Å; D236-L240 PolarHBondContact O-N 3.22Å; E238-L240 VanDerWaalsContact C-N 3.25Å; E238-L240 PolarHBondContact O-N 3.08Å; L240-Q242 VanDerWaalsContact C-N 3.32Å; L240-Q242 PolarHBondContact O-N 2.89Å; L240-R243 PolarHBondContact O-N 3.02Å; L240-L244 HydrophobicContact CD1-CG 4.42Å; L240-L244 HydrophobicContact CG-CD1 4.15Å; L240-L244 HydrophobicContact CG-CG 4.38Å; L240-L244 VanDerWaalsContact O-CG 3.28Å; L240-L244 WeakPolarHBondContact O-CG 3.23Å; L240-L244 PolarHBondContact O-N 3.15Å; L240-A326 HydrophobicContact CD2-CB 4.22Å
241D92.9Very high92.2Very high28 Ų2847.9 Ų47.915%0.1524%0.243CC..Hα-helixtrans-60.2-42.1-179.5-85.53.6000111.6M237 E238 R243 L244 D245 K323 R327M237-D241 WeakPolarHBondContact O-CB 3.28Å; M237-D241 PolarHBondContact O-N 2.83Å; E238-D241 PolarHBondContact O-N 3.49Å; D241-R243 PolarHBondContact O-N 2.93Å; D241-L244 PolarHBondContact O-N 3.06Å; D241-D245 PolarHBondContact O-N 2.85Å; D241-K323 HydrophobicContact CB-CD 4.2Å; D241-K323 WeakPolarHBondContact OD1-CG 3.49Å; D241-R327 IonicContact OD1-CZ 3.63Å; D241-R327 IonicContact OD1-NH2 2.78Å; D241-R327 IonicContact OD2-CZ 2.71Å; D241-R327 IonicContact OD2-NH2 3.16Å; D241-R327 PolarHBondContact OD2-NH2 3Å
242Q93.3Very high92.2Very high140 Ų14050 Ų5065%0.65426%0.255SS*.Hα-helixtrans-61.4-43.1175.4-71.7177.6-200112.4E238 L240 L244 D245 A246E238-Q242 WeakPolarHBondContact O-CG 2.92Å; E238-Q242 PolarHBondContact O-N 3.4Å; L240-Q242 VanDerWaalsContact C-N 3.32Å; L240-Q242 PolarHBondContact O-N 2.89Å; Q242-L244 VanDerWaalsContact C-N 3.33Å; Q242-L244 PolarHBondContact O-N 3.3Å; Q242-D245 PolarHBondContact O-N 2.98Å; Q242-A246 PolarHBondContact O-N 3.47Å
243R92.9Very high92.2Very high53 Ų5353.9 Ų53.920%0.229%0.289CS..Hα-helixtrans-64.5-37.7176-78.7-176.6-73.7178-20.9112.5G35 A239 L240 D241 R247 V353G35-R243 PolarHBondContact O-NH1 2.67Å; A239-R243 WeakPolarHBondContact O-CG 3.36Å; A239-R243 PolarHBondContact O-N 2.81Å; A239-R243 PolarHBondContact O-NE 2.92Å; A239-R243 VanDerWaalsContact O-NE 3.09Å; L240-R243 PolarHBondContact O-N 3.02Å; D241-R243 PolarHBondContact O-N 2.93Å; R243-R247 WeakPolarHBondContact O-CB 3.38Å; R243-R247 PolarHBondContact O-N 3.07Å; R243-V353 VanDerWaalsContact CZ-O 3.31Å; R243-V353 PolarHBondContact NH1-O 3.17Å; R243-V353 PolarHBondContact NH2-O 2.93Å
244L93.4Very high92.2Very high1 Ų158.3 Ų58.31%0.00532%0.316CS..Hα-helixtrans-67.2-38.6177.7-67.9177.6000111.7T34 L240 D241 Q242 V248 T322 K323 A326T34-L244 HydrophobicContact CG2-CD2 3.8Å; L240-L244 HydrophobicContact CD1-CG 4.42Å; L240-L244 HydrophobicContact CG-CD1 4.15Å; L240-L244 HydrophobicContact CG-CG 4.38Å; L240-L244 VanDerWaalsContact O-CG 3.28Å; L240-L244 WeakPolarHBondContact O-CG 3.23Å; L240-L244 PolarHBondContact O-N 3.15Å; D241-L244 PolarHBondContact O-N 3.06Å; Q242-L244 VanDerWaalsContact C-N 3.33Å; Q242-L244 PolarHBondContact O-N 3.3Å; L244-V248 WeakPolarHBondContact O-CG2 3.09Å; L244-V248 PolarHBondContact O-N 3.19Å; L244-V248 VanDerWaalsContact O-N 3.12Å; L244-T322 HydrophobicContact CB-CG2 4.39Å; L244-T322 HydrophobicContact CD1-CG2 4.31Å; L244-T322 HydrophobicContact CD2-CG2 3.93Å; L244-T322 HydrophobicContact CG-CG2 4.43Å; L244-K323 HydrophobicContact CB-CG 4.45Å; L244-K323 HydrophobicContact CD1-CG 4.13Å; L244-A326 HydrophobicContact CD1-CB 3.72Å
245D94.4Very high92.4Very high40 Ų4056.7 Ų56.721%0.21431%0.313CS..Hα-helixtrans-64.2-53174.8-70.7-26.4000111.2D241 Q242 R247 V248 D249 K319 K323D241-D245 PolarHBondContact O-N 2.85Å; Q242-D245 PolarHBondContact O-N 2.98Å; D245-R247 PolarHBondContact O-N 3.4Å; D245-V248 PolarHBondContact O-N 3.48Å; D245-D249 PolarHBondContact O-N 3.37Å; D245-K319 HydrophobicContact CB-CD 4.42Å; D245-K323 VanDerWaalsContact CG-CE 3.43Å; D245-K323 WeakPolarHBondContact OD1-CE 3.33Å; D245-K323 IonicContact OD1-NZ 3.02Å; D245-K323 PolarHBondContact OD1-NZ 3.39Å; D245-K323 WeakPolarHBondContact OD2-CE 3.15Å; D245-K323 IonicContact OD2-NZ 3.89Å; D245-K323 PolarHBondContact OD2-NZ 3.1Å
246A93.8Very high92.5Very high58 Ų5856.1 Ų56.148%0.47931%0.308SS..Hα-helixtrans-57.2-37.3179.500000112.1Q242 D249 E250Q242-A246 PolarHBondContact O-N 3.47Å; A246-D249 PolarHBondContact O-N 2.94Å; A246-E250 PolarHBondContact O-N 3.49Å
247R92.8Very high92.6Very high48 Ų4853.8 Ų53.818%0.18130%0.295CS..Hα-helixtrans-66.1-40.1175.5173.1174.1155162.4-12.1112.9T34 N70 R243 D245 D249 E250 M251T34-R247 PolarHBondContact OG1-NH2 3.39Å; N70-R247 PolarHBondContact ND2-NH1 3Å; N70-R247 PolarHBondContact ND2-NH2 3.32Å; N70-R247 PolarHBondContact OD1-NE 3.45Å; N70-R247 PolarHBondContact OD1-NH1 3.33Å; N70-R247 PolarHBondContact OD1-NH2 2.95Å; R243-R247 WeakPolarHBondContact O-CB 3.38Å; R243-R247 PolarHBondContact O-N 3.07Å; D245-R247 PolarHBondContact O-N 3.4Å; R247-D249 VanDerWaalsContact C-N 3.26Å; R247-D249 PolarHBondContact O-N 3.05Å; R247-E250 PolarHBondContact O-N 3.48Å; R247-M251 HydrophobicContact CG-SD 4.21Å; R247-M251 WeakPolarHBondContact O-CG 3.47Å; R247-M251 PolarHBondContact O-N 3.34Å
248V93.9Very high92.8Very high2 Ų254.8 Ų54.81%0.01230%0.302CS..Hα-helixtrans-63.9-38.5174.8171.70000110.1L244 D245 M251 L252 V315 L318 K319L244-V248 WeakPolarHBondContact O-CG2 3.09Å; L244-V248 PolarHBondContact O-N 3.19Å; L244-V248 VanDerWaalsContact O-N 3.12Å; D245-V248 PolarHBondContact O-N 3.48Å; V248-M251 WeakPolarHBondContact O-CB 3.33Å; V248-M251 PolarHBondContact O-N 2.77Å; V248-L252 WeakPolarHBondContact O-CG 3.41Å; V248-L252 PolarHBondContact O-N 2.95Å; V248-V315 HydrophobicContact CG1-CG1 4.3Å; V248-L318 HydrophobicContact CG1-CD2 3.77Å; V248-L318 HydrophobicContact CG1-CG 4.06Å; V248-L318 HydrophobicContact CG2-CD2 4.38Å; V248-L318 HydrophobicContact CG2-CG 4.11Å; V248-K319 HydrophobicContact CB-CG 3.96Å; V248-K319 HydrophobicContact CG1-CG 3.88Å; V248-K319 HydrophobicContact CG2-CG 4.1Å
249D93.8Very high92.9Very high73 Ų7349.2 Ų49.239%0.3928%0.276SS..Hα-helixtrans-64.6-40.4176.1-60.8-35.2000111.6D245 A246 R247 L252 A253 K319D245-D249 PolarHBondContact O-N 3.37Å; A246-D249 PolarHBondContact O-N 2.94Å; R247-D249 VanDerWaalsContact C-N 3.26Å; R247-D249 PolarHBondContact O-N 3.05Å; D249-L252 WeakPolarHBondContact O-CB 3.45Å; D249-L252 PolarHBondContact O-N 3.47Å; D249-A253 PolarHBondContact O-N 2.87Å; D249-K319 WeakPolarHBondContact OD1-CE 3.48Å; D249-K319 IonicContact OD1-NZ 2.99Å; D249-K319 PolarHBondContact OD1-NZ 3.13Å; D249-K319 IonicContact OD2-NZ 2.7Å; D249-K319 PolarHBondContact OD2-NZ 3.4Å
250E93.6Very high92.9Very high131 Ų13148.1 Ų48.161%0.61227%0.267SS*.Hα-helixtrans-63.6-41.2172.9-175.6179.6-165.900112.8A246 R247 L252 A253 T254A246-E250 PolarHBondContact O-N 3.49Å; R247-E250 PolarHBondContact O-N 3.48Å; E250-L252 VanDerWaalsContact C-N 3.3Å; E250-L252 PolarHBondContact O-N 2.78Å; E250-A253 PolarHBondContact O-N 3.36Å; E250-T254 WeakPolarHBondContact O-CB 3.2Å; E250-T254 PolarHBondContact O-N 3.3Å; E250-T254 PolarHBondContact O-OG1 2.94Å
251M92.9Very high92.8Very high15 Ų1551.7 Ų51.77%0.07428%0.284CS..Hα-helixtrans-59.9-41.8174.8-70163.874.600111.2I67 I68 R247 V248 T254 G255 L256I67-M251 HydrophobicContact CG2-CB 3.9Å; I67-M251 HydrophobicContact CG2-CG 4.1Å; I67-M251 VanDerWaalsContact O-CE 3.24Å; I67-M251 WeakPolarHBondContact O-CE 3.47Å; I68-M251 HydrophobicContact CB-CE 4.49Å; I68-M251 HydrophobicContact CG1-CE 4.42Å; R247-M251 HydrophobicContact CG-SD 4.21Å; R247-M251 WeakPolarHBondContact O-CG 3.47Å; R247-M251 PolarHBondContact O-N 3.34Å; V248-M251 WeakPolarHBondContact O-CB 3.33Å; V248-M251 PolarHBondContact O-N 2.77Å; M251-T254 PolarHBondContact O-N 3.28Å; M251-G255 PolarHBondContact O-N 2.97Å; M251-L256 HydrophobicContact CB-CB 4.32Å; M251-L256 HydrophobicContact CB-CD2 4.22Å; M251-L256 HydrophobicContact CE-CD1 4.28Å; M251-L256 HydrophobicContact CE-CD2 4.48Å; M251-L256 WeakPolarHBondContact O-CB 3.38Å; M251-L256 PolarHBondContact O-N 2.71Å
252L93.1Very high92.6Very high46 Ų4653.2 Ų53.224%0.24129%0.292CS..Hα-helixtrans-62.1-44.5175.3-69166.3000111.5V248 D249 E250 T254 G255 L256 L257 V315V248-L252 WeakPolarHBondContact O-CG 3.41Å; V248-L252 PolarHBondContact O-N 2.95Å; D249-L252 WeakPolarHBondContact O-CB 3.45Å; D249-L252 PolarHBondContact O-N 3.47Å; E250-L252 VanDerWaalsContact C-N 3.3Å; E250-L252 PolarHBondContact O-N 2.78Å; L252-T254 PolarHBondContact O-N 3.44Å; L252-G255 PolarHBondContact O-N 3.48Å; L252-L256 HydrophobicContact CD2-CB 4.44Å; L252-L256 HydrophobicContact CD2-CD2 4Å; L252-L256 HydrophobicContact CG-CD2 4.44Å; L252-L257 HydrophobicContact CD2-CD2 4.22Å; L252-L257 HydrophobicContact CD2-CG 4.14Å; L252-V315 HydrophobicContact CD1-CB 4.37Å; L252-V315 HydrophobicContact CD1-CG1 3.78Å; L252-V315 HydrophobicContact CD1-CG2 3.6Å; L252-V315 HydrophobicContact CD2-CG2 3.94Å; L252-V315 HydrophobicContact CG-CG2 4.39Å
253A93.1Very high92.4Very high90 Ų9046.9 Ų46.974%0.74426%0.262SS*.Hα-helixtrans-63.4-29.517700000113.1D249 E250 G255D249-A253 PolarHBondContact O-N 2.87Å; E250-A253 PolarHBondContact O-N 3.36Å; A253-G255 VanDerWaalsContact C-N 3.31Å
254T92.2Very high92Very high93 Ų9345.2 Ų45.257%0.57126%0.257SS*.THydrogen-bonded Turntrans-80.8-8.5180-51.20000113.1I67 E250 M251 L252I67-T254 HydrophobicContact CD1-CG2 4.13Å; I67-T254 HydrophobicContact CG1-CG2 4.41Å; E250-T254 WeakPolarHBondContact O-CB 3.2Å; E250-T254 PolarHBondContact O-N 3.3Å; E250-T254 PolarHBondContact O-OG1 2.94Å; M251-T254 PolarHBondContact O-N 3.28Å; L252-T254 PolarHBondContact O-N 3.44Å
255G93.6Very high91.5Very high16 Ų1649.3 Ų49.317%0.16528%0.278CS..THydrogen-bonded Turntrans103.728.9178.700000114.9M251 L252 A253 L257 D258 E259M251-G255 PolarHBondContact O-N 2.97Å; L252-G255 PolarHBondContact O-N 3.48Å; A253-G255 VanDerWaalsContact C-N 3.31Å; G255-L257 PolarHBondContact O-N 3.13Å; G255-D258 PolarHBondContact O-N 3.45Å; G255-D258 VanDerWaalsContact O-N 3.09Å; G255-E259 PolarHBondContact O-N 3.43Å; G255-E259 VanDerWaalsContact O-N 3.14Å
256L92.7Very high91Very high0 Ų053.9 Ų53.90%029%0.292CS..Hα-helixtrans-50.8-39.5175.9174.865.1000113.1I67 I68 M251 L252 L260 L318I67-L256 HydrophobicContact CG2-CB 4.13Å; I67-L256 HydrophobicContact CG2-CD1 4.2Å; I68-L256 HydrophobicContact CB-CD1 3.58Å; I68-L256 HydrophobicContact CD1-CD1 3.89Å; I68-L256 HydrophobicContact CG1-CD1 3.75Å; M251-L256 HydrophobicContact CB-CB 4.32Å; M251-L256 HydrophobicContact CB-CD2 4.22Å; M251-L256 HydrophobicContact CE-CD1 4.28Å; M251-L256 HydrophobicContact CE-CD2 4.48Å; M251-L256 WeakPolarHBondContact O-CB 3.38Å; M251-L256 PolarHBondContact O-N 2.71Å; L252-L256 HydrophobicContact CD2-CB 4.44Å; L252-L256 HydrophobicContact CD2-CD2 4Å; L252-L256 HydrophobicContact CG-CD2 4.44Å; L256-L260 HydrophobicContact CD1-CD1 4.2Å; L256-L260 HydrophobicContact CD1-CG 4.23Å; L256-L260 HydrophobicContact CG-CD1 4.1Å; L256-L260 HydrophobicContact CG-CG 4.49Å; L256-L260 WeakPolarHBondContact O-CB 3.47Å; L256-L260 VanDerWaalsContact O-CG 3.28Å; L256-L260 WeakPolarHBondContact O-CG 3.36Å; L256-L260 PolarHBondContact O-N 3.33Å; L256-L318 HydrophobicContact CD2-CD2 3.76Å
257L91.1Very high90.4Very high32 Ų3253.7 Ų53.717%0.16828%0.28CS..Hα-helixtrans-67.5-38.4-178.6-62.8177.8000112L252 G255 L260 Q261 F292 Y295 R311L252-L257 HydrophobicContact CD2-CD2 4.22Å; L252-L257 HydrophobicContact CD2-CG 4.14Å; G255-L257 PolarHBondContact O-N 3.13Å; L257-L260 PolarHBondContact O-N 3.47Å; L257-Q261 WeakPolarHBondContact O-CB 3.22Å; L257-Q261 VanDerWaalsContact O-CG 3.26Å; L257-Q261 WeakPolarHBondContact O-CG 3.16Å; L257-Q261 PolarHBondContact O-N 2.93Å; L257-F292 HydrophobicContact CD2-CD1 3.9Å; L257-F292 HydrophobicContact CD2-CE1 3.51Å; L257-F292 HydrophobicContact CD2-CZ 4.27Å; L257-Y295 HydrophobicContact CD2-CE1 4.18Å; L257-R311 HydrophobicContact CD1-CG 4Å; L257-R311 HydrophobicContact CD2-CG 4.28Å
258D92.3Very high89.6Confident109 Ų10951.5 Ų51.558%0.58327%0.272SS*.Hα-helixtrans-68-43.2179.3-59-36.3000110.1G255 L260 Q261 D262G255-D258 PolarHBondContact O-N 3.45Å; G255-D258 VanDerWaalsContact O-N 3.09Å; D258-L260 VanDerWaalsContact C-N 3.32Å; D258-L260 PolarHBondContact O-N 3.06Å; D258-Q261 PolarHBondContact O-N 3.22Å; D258-D262 WeakPolarHBondContact O-CB 3.29Å; D258-D262 PolarHBondContact O-N 2.88Å
259E93.5Very high88.7Confident30 Ų3056.8 Ų56.814%0.1429%0.291CS..Hα-helixtrans-58.1-44173.8176.3178-96.100111.9L65 D66 I67 I68 G255 F263L65-E259 VanDerWaalsContact C-OE1 3.27Å; L65-E259 VanDerWaalsContact CA-CD 3.44Å; L65-E259 WeakPolarHBondContact CA-OE1 3.29Å; L65-E259 HydrophobicContact CD2-CG 3.85Å; D66-E259 PolarHBondContact N-OE1 2.95Å; I67-E259 WeakPolarHBondContact CB-OE2 3.23Å; I67-E259 HydrophobicContact CD1-CB 4.35Å; I67-E259 PolarHBondContact N-OE1 2.93Å; I67-E259 PolarHBondContact N-OE2 3.48Å; I68-E259 PolarHBondContact N-OE2 3.48Å; G255-E259 PolarHBondContact O-N 3.43Å; G255-E259 VanDerWaalsContact O-N 3.14Å; E259-F263 WeakPolarHBondContact O-CB 2.86Å; E259-F263 PolarHBondContact O-N 2.87Å
260L90.4Very high87.4Confident1 Ų160.2 Ų60.21%0.00531%0.305CS..Hα-helixtrans-67.1-41.5178.8-79-179.5000112.8L65 I68 L256 L257 D258 H264 F289 F292 L296L65-L260 HydrophobicContact CD2-CD2 4.43Å; I68-L260 HydrophobicContact CD1-CD1 4.1Å; I68-L260 HydrophobicContact CD1-CD2 3.44Å; I68-L260 VanDerWaalsContact CD1-CD2 3.44Å; I68-L260 HydrophobicContact CD1-CG 4.04Å; L256-L260 HydrophobicContact CD1-CD1 4.2Å; L256-L260 HydrophobicContact CD1-CG 4.23Å; L256-L260 HydrophobicContact CG-CD1 4.1Å; L256-L260 HydrophobicContact CG-CG 4.49Å; L256-L260 WeakPolarHBondContact O-CB 3.47Å; L256-L260 VanDerWaalsContact O-CG 3.28Å; L256-L260 WeakPolarHBondContact O-CG 3.36Å; L256-L260 PolarHBondContact O-N 3.33Å; L257-L260 PolarHBondContact O-N 3.47Å; D258-L260 VanDerWaalsContact C-N 3.32Å; D258-L260 PolarHBondContact O-N 3.06Å; L260-H264 VanDerWaalsContact O-CB 3.29Å; L260-H264 WeakPolarHBondContact O-CB 3.29Å; L260-H264 PolarHBondContact O-N 3.09Å; L260-F289 HydrophobicContact CD2-CB 4.41Å; L260-F289 HydrophobicContact CD2-CD2 3.66Å; L260-F289 HydrophobicContact CD2-CE2 4.43Å; L260-F292 HydrophobicContact CD1-CB 3.94Å; L260-F292 HydrophobicContact CD1-CD1 4.32Å; L260-F292 HydrophobicContact CD1-CD2 3.87Å; L260-F292 HydrophobicContact CD1-CE2 4.41Å; L260-F292 HydrophobicContact CD1-CG 3.77Å; L260-L296 HydrophobicContact CB-CD1 4.39Å; L260-L296 HydrophobicContact CB-CD2 4.26Å
261Q88.6Confident86.2Confident79 Ų7955.3 Ų55.337%0.36928%0.282SS..Hα-helixtrans-65.4-44.8177.7-76.5176.82200111.6L257 D258 H264 L265 Y295 L296L257-Q261 WeakPolarHBondContact O-CB 3.22Å; L257-Q261 VanDerWaalsContact O-CG 3.26Å; L257-Q261 WeakPolarHBondContact O-CG 3.16Å; L257-Q261 PolarHBondContact O-N 2.93Å; D258-Q261 PolarHBondContact O-N 3.22Å; Q261-H264 WeakPolarHBondContact O-CB 3.5Å; Q261-H264 PolarHBondContact O-N 2.91Å; Q261-L265 WeakPolarHBondContact O-CB 3.46Å; Q261-L265 PolarHBondContact O-N 3.46Å; Q261-Y295 PolarHBondContact NE2-OH 3.07Å; Q261-L296 HydrophobicContact CB-CD2 4.47Å; Q261-L296 HydrophobicContact CG-CD2 3.87Å
262D89.6Confident85Confident61 Ų6156.5 Ų56.533%0.32629%0.29SS..Hα-helixtrans-65.2-43.2178166.764.2000111.5D258 H264 L265 R266D258-D262 WeakPolarHBondContact O-CB 3.29Å; D258-D262 PolarHBondContact O-N 2.88Å; D262-H264 VanDerWaalsContact C-N 3.32Å; D262-H264 PolarHBondContact O-N 3.15Å; D262-L265 PolarHBondContact O-N 3.39Å; D262-R266 VanDerWaalsContact CG-NE 3.29Å; D262-R266 WeakPolarHBondContact O-CB 3.45Å; D262-R266 WeakPolarHBondContact O-CG 3.46Å; D262-R266 PolarHBondContact O-N 3.29Å; D262-R266 IonicContact OD1-CZ 3.84Å; D262-R266 IonicContact OD1-NE 3.17Å; D262-R266 PolarHBondContact OD1-NE 3.42Å; D262-R266 IonicContact OD1-NH2 3.58Å; D262-R266 IonicContact OD2-CZ 3.59Å; D262-R266 IonicContact OD2-NE 3.66Å; D262-R266 PolarHBondContact OD2-NE 3.48Å; D262-R266 IonicContact OD2-NH2 2.76Å; D262-R266 PolarHBondContact OD2-NH2 2.96Å
263F88.1Confident83.5Confident6 Ų661.1 Ų61.13%0.02631%0.31CS..Hα-helixtrans-61.3-41.3172.9-173.4-90.8000112.3L65 P90 E259 R266 Y267 I283 F284 F289L65-F263 HydrophobicContact CD1-CD1 4.17Å; L65-F263 HydrophobicContact CD1-CD2 3.71Å; L65-F263 HydrophobicContact CD1-CE1 4.15Å; L65-F263 HydrophobicContact CD1-CE2 3.69Å; L65-F263 HydrophobicContact CD1-CG 3.95Å; L65-F263 HydrophobicContact CD1-CZ 3.93Å; L65-F263 HydrophobicContact CD2-CB 3.63Å; L65-F263 HydrophobicContact CD2-CD1 4.37Å; L65-F263 HydrophobicContact CD2-CD2 3.83Å; L65-F263 HydrophobicContact CD2-CG 3.68Å; L65-F263 HydrophobicContact CG-CB 4.33Å; L65-F263 HydrophobicContact CG-CD2 3.54Å; L65-F263 HydrophobicContact CG-CE2 3.96Å; L65-F263 HydrophobicContact CG-CG 3.9Å; P90-F263 HydrophobicContact CB-CE2 3.81Å; P90-F263 HydrophobicContact CB-CZ 4.13Å; P90-F263 HydrophobicContact CG-CE2 4.17Å; E259-F263 WeakPolarHBondContact O-CB 2.86Å; E259-F263 PolarHBondContact O-N 2.87Å; F263-R266 PolarHBondContact O-N 3.39Å; F263-Y267 AromaticContact CD2-CD2 3.55Å; F263-Y267 HydrophobicContact CD2-CD2 3.55Å; F263-Y267 HydrophobicContact CD2-CE2 4.05Å; F263-Y267 AromaticContact CE2-CD2 3.53Å; F263-Y267 HydrophobicContact CE2-CD2 3.53Å; F263-Y267 HydrophobicContact CE2-CE2 4.1Å; F263-Y267 HydrophobicContact CE2-CG 4.2Å; F263-Y267 HydrophobicContact CG-CD2 4.15Å; F263-Y267 HydrophobicContact CZ-CD2 4.09Å; F263-Y267 HydrophobicContact CZ-CG 4.37Å; F263-Y267 PolarHBondContact O-N 3.06Å; F263-I283 HydrophobicContact CE2-CG2 4.3Å; F263-I283 HydrophobicContact CZ-CG2 3.64Å; F263-F284 HydrophobicContact CE1-CD1 4.28Å; F263-F284 AromaticContact CE1-CE1 3.74Å; F263-F284 HydrophobicContact CE1-CE1 3.74Å; F263-F284 HydrophobicContact CE1-CZ 4.01Å; F263-F284 HydrophobicContact CZ-CE1 4.32Å; F263-F284 HydrophobicContact CZ-CZ 4.16Å; F263-F289 AromaticContact CD1-CD2 3.85Å; F263-F289 HydrophobicContact CD1-CD2 3.85Å; F263-F289 AromaticContact CD1-CE2 3.45Å; F263-F289 HydrophobicContact CD1-CE2 3.45Å; F263-F289 VanDerWaalsContact CD1-CE2 3.45Å; F263-F289 AromaticContact CD1-CZ 3.95Å; F263-F289 HydrophobicContact CD1-CZ 3.95Å; F263-F289 HydrophobicContact CE1-CD2 4.29Å; F263-F289 HydrophobicContact CE1-CE2 4.04Å; F263-F289 HydrophobicContact CE1-CZ 4.19Å; F263-F289 HydrophobicContact CG-CE2 4.5Å
264H84.9Confident82.1Confident18 Ų1862.7 Ų62.78%0.08331%0.306CS..Iπ-helixtrans-60.9-46.9176.5179.293.5000111.6L260 Q261 D262 R266 N268 R269 F289 L296L260-H264 VanDerWaalsContact O-CB 3.29Å; L260-H264 WeakPolarHBondContact O-CB 3.29Å; L260-H264 PolarHBondContact O-N 3.09Å; Q261-H264 WeakPolarHBondContact O-CB 3.5Å; Q261-H264 PolarHBondContact O-N 2.91Å; D262-H264 VanDerWaalsContact C-N 3.32Å; D262-H264 PolarHBondContact O-N 3.15Å; H264-R266 VanDerWaalsContact C-N 3.35Å; H264-R266 PolarHBondContact O-N 2.92Å; H264-N268 HydrophobicContact CB-CB 4.43Å; H264-N268 PolarHBondContact CE1-ND2 2.9Å; H264-N268 PolarHBondContact ND1-ND2 3.2Å; H264-N268 VanDerWaalsContact ND1-ND2 3.1Å; H264-N268 CarbonylContact O-C 3.52Å; H264-N268 WeakPolarHBondContact O-CA 3.3Å; H264-N268 WeakPolarHBondContact O-CB 3.43Å; H264-N268 PolarHBondContact O-N 3.35Å; H264-R269 PolarHBondContact O-N 3.48Å; H264-F289 HydrophobicContact CB-CE2 4.49Å; H264-L296 HydrophobicContact CB-CB 4.41Å; H264-L296 HydrophobicContact CB-CD1 4.21Å; H264-L296 HydrophobicContact CB-CD2 4.16Å
265L84.1Confident80.6Confident87 Ų8765 Ų6546%0.45532%0.315SS..Iπ-helixtrans-58.3-46.5178.2174.864.7000111.6Q261 D262 R269Q261-L265 WeakPolarHBondContact O-CB 3.46Å; Q261-L265 PolarHBondContact O-N 3.46Å; D262-L265 PolarHBondContact O-N 3.39Å; L265-R269 VanDerWaalsContact CD1-NH2 3.33Å
266R83.4Confident79Confident136 Ų13666.9 Ų66.951%0.51333%0.325SS..Iπ-helixtrans-77.3-38.5-173.2-68.9-165.9-85.3142.4-18.7114D262 F263 H264D262-R266 VanDerWaalsContact CG-NE 3.29Å; D262-R266 WeakPolarHBondContact O-CB 3.45Å; D262-R266 WeakPolarHBondContact O-CG 3.46Å; D262-R266 PolarHBondContact O-N 3.29Å; D262-R266 IonicContact OD1-CZ 3.84Å; D262-R266 IonicContact OD1-NE 3.17Å; D262-R266 PolarHBondContact OD1-NE 3.42Å; D262-R266 IonicContact OD1-NH2 3.58Å; D262-R266 IonicContact OD2-CZ 3.59Å; D262-R266 IonicContact OD2-NE 3.66Å; D262-R266 PolarHBondContact OD2-NE 3.48Å; D262-R266 IonicContact OD2-NH2 2.76Å; D262-R266 PolarHBondContact OD2-NH2 2.96Å; F263-R266 PolarHBondContact O-N 3.39Å; H264-R266 VanDerWaalsContact C-N 3.35Å; H264-R266 PolarHBondContact O-N 2.92Å
267Y80Confident77.6Confident55 Ų5569.6 Ų69.622%0.21634%0.338CS..Iπ-helixtrans-125.7-21.5-167.2-57.5-72.6000115.1P90 L91 F263P90-Y267 HydrophobicContact CB-CD1 4.38Å; P90-Y267 HydrophobicContact CB-CD2 4.48Å; P90-Y267 HydrophobicContact CB-CE1 4.36Å; P90-Y267 HydrophobicContact CB-CE2 4.47Å; P90-Y267 HydrophobicContact CB-CG 4.43Å; P90-Y267 HydrophobicContact CG-CE1 4.42Å; P90-Y267 HydrophobicContact CG-CE2 4.22Å; L91-Y267 HydrophobicContact CD1-CD1 4.26Å; L91-Y267 HydrophobicContact CD1-CE1 4.5Å; L91-Y267 HydrophobicContact CD2-CD1 3.87Å; L91-Y267 HydrophobicContact CG-CD1 3.91Å; L91-Y267 HydrophobicContact CG-CE1 4.32Å; F263-Y267 AromaticContact CD2-CD2 3.55Å; F263-Y267 HydrophobicContact CD2-CD2 3.55Å; F263-Y267 HydrophobicContact CD2-CE2 4.05Å; F263-Y267 AromaticContact CE2-CD2 3.53Å; F263-Y267 HydrophobicContact CE2-CD2 3.53Å; F263-Y267 HydrophobicContact CE2-CE2 4.1Å; F263-Y267 HydrophobicContact CE2-CG 4.2Å; F263-Y267 HydrophobicContact CG-CD2 4.15Å; F263-Y267 HydrophobicContact CZ-CD2 4.09Å; F263-Y267 HydrophobicContact CZ-CG 4.37Å; F263-Y267 PolarHBondContact O-N 3.06Å
268N76.3Confident76.4Confident2 Ų270.1 Ų70.11%0.01134%0.341CS..Iπ-helixtrans-103.8-33.5-173.8-160.651.5000113.3H264 Q270 K271 V272 F284 F289H264-N268 HydrophobicContact CB-CB 4.43Å; H264-N268 PolarHBondContact CE1-ND2 2.9Å; H264-N268 PolarHBondContact ND1-ND2 3.2Å; H264-N268 VanDerWaalsContact ND1-ND2 3.1Å; H264-N268 CarbonylContact O-C 3.52Å; H264-N268 WeakPolarHBondContact O-CA 3.3Å; H264-N268 WeakPolarHBondContact O-CB 3.43Å; H264-N268 PolarHBondContact O-N 3.35Å; N268-Q270 VanDerWaalsContact C-N 3.35Å; N268-Q270 PolarHBondContact O-N 3.46Å; N268-K271 WeakPolarHBondContact O-CA 3.42Å; N268-K271 WeakPolarHBondContact O-CB 3.44Å; N268-K271 PolarHBondContact O-N 3.34Å; N268-V272 VanDerWaalsContact ND2-CG2 3.29Å; N268-V272 WeakPolarHBondContact ND2-CG2 3.45Å; N268-V272 WeakPolarHBondContact O-CG2 3.43Å; N268-V272 PolarHBondContact O-N 3.02Å; N268-F284 HydrophobicContact CB-CE1 4.17Å; N268-F284 WeakPolarHBondContact OD1-CE1 3.27Å; N268-F289 HydrophobicContact CB-CE1 4.47Å; N268-F289 HydrophobicContact CB-CZ 3.83Å
269R74.8Confident75.5Confident112 Ų11267.1 Ų67.142%0.42332%0.322SS..Hα-helixtrans-54-46.8-173.6-176.4178.5-72.9-167.5-5.8113.1H264 L265 V272 Q273H264-R269 PolarHBondContact O-N 3.48Å; L265-R269 VanDerWaalsContact CD1-NH2 3.33Å; R269-V272 PolarHBondContact O-N 3.48Å; R269-Q273 WeakPolarHBondContact O-CG 3.36Å; R269-Q273 PolarHBondContact O-N 2.98Å; R269-Q273 VanDerWaalsContact O-N 3.11Å
270Q67.1Low74.3Confident146 Ų14671 Ų7168%0.68234%0.34SS*.Hα-helixtrans-63.5-41.6176.8-70.7177.8-9.900111.8N268 V272 Q273 D274N268-Q270 VanDerWaalsContact C-N 3.35Å; N268-Q270 PolarHBondContact O-N 3.46Å; Q270-V272 VanDerWaalsContact C-N 3.34Å; Q270-V272 PolarHBondContact O-N 3.28Å; Q270-Q273 WeakPolarHBondContact O-CB 3.34Å; Q270-Q273 PolarHBondContact O-N 2.9Å; Q270-D274 PolarHBondContact O-N 3.41Å
271K68Low73.5Confident27 Ų2773.9 Ų73.912%0.11735%0.353CS..Hα-helixtrans-67.5-33.2178.4-64.7-172.5-179177.40113.7N268 D275 S276 F284N268-K271 WeakPolarHBondContact O-CA 3.42Å; N268-K271 WeakPolarHBondContact O-CB 3.44Å; N268-K271 PolarHBondContact O-N 3.34Å; K271-D275 PolarHBondContact O-N 3.46Å; K271-S276 PolarHBondContact O-N 2.86Å; K271-S276 VanDerWaalsContact O-N 3.08Å; K271-S276 PolarHBondContact O-OG 2.93Å; K271-F284 HydrophobicContact CD-CZ 4.35Å; K271-F284 VanDerWaalsContact NZ-CE2 3.26Å
272V67.6Low73.1Confident40 Ų4070.3 Ų70.324%0.24234%0.338CS..Hα-helixtrans-67-40.8174.2173.40000110.1N268 R269 Q270 D274 D275 Q277 T297N268-V272 VanDerWaalsContact ND2-CG2 3.29Å; N268-V272 WeakPolarHBondContact ND2-CG2 3.45Å; N268-V272 WeakPolarHBondContact O-CG2 3.43Å; N268-V272 PolarHBondContact O-N 3.02Å; R269-V272 PolarHBondContact O-N 3.48Å; Q270-V272 VanDerWaalsContact C-N 3.34Å; Q270-V272 PolarHBondContact O-N 3.28Å; V272-D274 VanDerWaalsContact C-N 3.34Å; V272-D275 PolarHBondContact O-N 3.4Å; V272-Q277 HydrophobicContact CG2-CG 4.25Å; V272-T297 HydrophobicContact CG1-CG2 4.05Å; V272-T297 HydrophobicContact CG2-CG2 4.16Å
273Q62.6Low72.7Confident144 Ų14467.4 Ų67.467%0.67332%0.322SS*.Hα-helixtrans-66.3-36.2176.8-71.7172.9-10.100112.4R269 Q270 D275R269-Q273 WeakPolarHBondContact O-CG 3.36Å; R269-Q273 PolarHBondContact O-N 2.98Å; R269-Q273 VanDerWaalsContact O-N 3.11Å; Q270-Q273 WeakPolarHBondContact O-CB 3.34Å; Q270-Q273 PolarHBondContact O-N 2.9Å; Q273-D275 VanDerWaalsContact C-N 3.27Å; Q273-D275 PolarHBondContact O-N 3.37Å
274D62.7Low72.4Confident122 Ų12267.5 Ų67.565%0.65232%0.322SS*.THydrogen-bonded Turntrans-83.45.6178.8-66.5-22.7000114Q270 V272 S276Q270-D274 PolarHBondContact O-N 3.41Å; V272-D274 VanDerWaalsContact C-N 3.34Å; D274-S276 PolarHBondContact O-N 3.43Å
275D61.1Low72.4Confident143 Ų14370.3 Ų70.377%0.76534%0.336SS*.THydrogen-bonded Turntrans47.228.9-173.6-159.729.9000114.1K271 V272 Q273K271-D275 PolarHBondContact O-N 3.46Å; V272-D275 PolarHBondContact O-N 3.4Å; Q273-D275 VanDerWaalsContact C-N 3.27Å; Q273-D275 PolarHBondContact O-N 3.37Å
276S61.3Low72.4Confident55 Ų5566.3 Ų66.339%0.38532%0.315SS..  trans-104.628.7-173.264.70000112.3K271 D274 D278K271-S276 PolarHBondContact O-N 2.86Å; K271-S276 VanDerWaalsContact O-N 3.08Å; K271-S276 PolarHBondContact O-OG 2.93Å; D274-S276 PolarHBondContact O-N 3.43Å; S276-D278 PolarHBondContact O-N 3.19Å
277Q63.1Low72.5Confident57 Ų5762.3 Ų62.327%0.26630%0.303SS..  trans-67122.3-173.1-62.6-174.132.400111.6V272 Y279 H293V272-Q277 HydrophobicContact CG2-CG 4.25Å; Q277-Y279 HydrophobicContact CB-CE2 4.08Å; Q277-Y279 PolarHBondContact OE1-OH 3.37Å; Q277-H293 PolarHBondContact OE1-CE1 2.94Å; Q277-H293 PolarHBondContact OE1-NE2 3.46Å
278D65.6Low72.8Confident43 Ų4359.7 Ų59.723%0.2329%0.293CS..  trans-129.987.6-176.9-1764.1000110.7R93 S276 Q280 H281R93-D278 IonicContact NH1-OD2 3.64Å; R93-D278 PolarHBondContact NH1-OD2 2.87Å; S276-D278 PolarHBondContact O-N 3.19Å; D278-Q280 PolarHBondContact O-N 3Å; D278-Q280 WeakPolarHBondContact OD1-CA 3.42Å; D278-Q280 VanDerWaalsContact OD1-CB 3.29Å; D278-Q280 WeakPolarHBondContact OD1-CB 3.4Å; D278-Q280 PolarHBondContact OD1-N 3Å; D278-H281 IonicContact OD1-CE1 2.86Å; D278-H281 IonicContact OD1-CG 3.06Å; D278-H281 IonicContact OD1-ND1 2.57Å; D278-H281 PolarHBondContact OD1-ND1 3.33Å; D278-H281 IonicContact OD2-CE1 3.54Å; D278-H281 IonicContact OD2-CG 3.74Å; D278-H281 IonicContact OD2-ND1 3.71Å; D278-H281 PolarHBondContact OD2-ND1 2.92Å
279Y71.9Confident73.2Confident46 Ų4659.7 Ų59.718%0.1829%0.293CS..THydrogen-bonded Turntrans-75.53.4173.8-65.6-63.3000113.4Q277 F284 Q285 F289 K290 H293Q277-Y279 HydrophobicContact CB-CE2 4.08Å; Q277-Y279 PolarHBondContact OE1-OH 3.37Å; Y279-F284 HydrophobicContact CD1-CB 4.3Å; Y279-Q285 WeakPolarHBondContact O-CG 3.45Å; Y279-F289 HydrophobicContact CD1-CD1 4.48Å; Y279-F289 AromaticContact CE1-CD1 3.93Å; Y279-F289 HydrophobicContact CE1-CD1 3.93Å; Y279-F289 AromaticContact CE1-CE1 3.88Å; Y279-F289 HydrophobicContact CE1-CE1 3.88Å; Y279-K290 HydrophobicContact CD1-CD 4.46Å; Y279-K290 HydrophobicContact CD1-CG 3.75Å; Y279-K290 HydrophobicContact CE1-CG 4.48Å; Y279-K290 HydrophobicContact CG-CD 4.49Å; Y279-K290 HydrophobicContact CG-CG 4.18Å; Y279-K290 WeakPolarHBondContact O-CE 3.37Å; Y279-K290 PolarHBondContact O-NZ 3.44Å; Y279-H293 AromaticContact CZ-ND1 3.72Å; Y279-H293 PolarHBondContact OH-CE1 3.48Å; Y279-H293 PolarHBondContact OH-ND1 3.22Å
280Q69.4Low73.8Confident112 Ų11257.8 Ų57.852%0.52329%0.288SS..THydrogen-bonded Turntrans-95.2-7.1-177.2-60.2-162.84.700113.2D278 Q285D278-Q280 PolarHBondContact O-N 3Å; D278-Q280 WeakPolarHBondContact OD1-CA 3.42Å; D278-Q280 VanDerWaalsContact OD1-CB 3.29Å; D278-Q280 WeakPolarHBondContact OD1-CB 3.4Å; D278-Q280 PolarHBondContact OD1-N 3Å; Q280-Q285 PolarHBondContact O-NE2 3.14Å; Q280-Q285 PolarHBondContact O-OE1 3.03Å
281H74.3Confident74.9Confident61 Ų6153.2 Ų53.228%0.28227%0.266SS..SBendtrans-132.1150.2-173.4-63.394.7000113.2R93 D278R93-H281 HydrophobicContact CB-CB 4.3Å; R93-H281 HydrophobicContact CG-CB 4.49Å; D278-H281 IonicContact OD1-CE1 2.86Å; D278-H281 IonicContact OD1-CG 3.06Å; D278-H281 IonicContact OD1-ND1 2.57Å; D278-H281 PolarHBondContact OD1-ND1 3.33Å; D278-H281 IonicContact OD2-CE1 3.54Å; D278-H281 IonicContact OD2-CG 3.74Å; D278-H281 IonicContact OD2-ND1 3.71Å; D278-H281 PolarHBondContact OD2-ND1 2.92Å
282G78.6Confident75.9Confident4 Ų452 Ų524%0.04126%0.261CS..G310 helixtrans58.6-149.9174.600000115.1Y62 F284 Q285Y62-G282 WeakPolarHBondContact OH-CA 3.37Å; G282-F284 PolarHBondContact O-N 3.47Å; G282-Q285 WeakPolarHBondContact O-CB 3.47Å; G282-Q285 PolarHBondContact O-N 3Å; G282-Q285 VanDerWaalsContact O-N 3.15Å
283I82.4Confident76.7Confident0 Ų051.8 Ų51.80%026%0.257CS..G310 helixtrans-64.9-22.4-179.5-168.554000114M59 Y62 L65 T69 P90 F263 Q285 S286M59-I283 HydrophobicContact CB-CD1 4.47Å; M59-I283 HydrophobicContact SD-CD1 4.45Å; Y62-I283 HydrophobicContact CD1-CB 3.84Å; Y62-I283 HydrophobicContact CD2-CB 4.03Å; Y62-I283 HydrophobicContact CD2-CD1 3.78Å; Y62-I283 HydrophobicContact CD2-CG1 4.36Å; Y62-I283 HydrophobicContact CE1-CB 4.23Å; Y62-I283 HydrophobicContact CE2-CB 4.42Å; Y62-I283 HydrophobicContact CG-CB 3.73Å; Y62-I283 HydrophobicContact CG-CD1 3.85Å; Y62-I283 HydrophobicContact CG-CG1 4.05Å; L65-I283 HydrophobicContact CD1-CD1 4.16Å; L65-I283 HydrophobicContact CD1-CG1 3.6Å; T69-I283 HydrophobicContact CG2-CD1 4.2Å; P90-I283 HydrophobicContact CB-CG2 4.03Å; P90-I283 WeakPolarHBondContact O-CG2 3.48Å; F263-I283 HydrophobicContact CE2-CG2 4.3Å; F263-I283 HydrophobicContact CZ-CG2 3.64Å; I283-Q285 PolarHBondContact O-N 2.93Å; I283-S286 VanDerWaalsContact O-CB 3.23Å; I283-S286 WeakPolarHBondContact O-CB 3.45Å; I283-S286 PolarHBondContact O-N 3.01Å; I283-S286 PolarHBondContact O-OG 3.37Å
284F81.8Confident77.8Confident7 Ų748.3 Ų48.33%0.03124%0.243CC..G310 helixtrans-65-10.2174.8-63.7-86.6000112.3F263 N268 K271 Y279 G282 S286 F289 K290F263-F284 HydrophobicContact CE1-CD1 4.28Å; F263-F284 AromaticContact CE1-CE1 3.74Å; F263-F284 HydrophobicContact CE1-CE1 3.74Å; F263-F284 HydrophobicContact CE1-CZ 4.01Å; F263-F284 HydrophobicContact CZ-CE1 4.32Å; F263-F284 HydrophobicContact CZ-CZ 4.16Å; N268-F284 HydrophobicContact CB-CE1 4.17Å; N268-F284 WeakPolarHBondContact OD1-CE1 3.27Å; K271-F284 HydrophobicContact CD-CZ 4.35Å; K271-F284 VanDerWaalsContact NZ-CE2 3.26Å; Y279-F284 HydrophobicContact CD1-CB 4.3Å; G282-F284 PolarHBondContact O-N 3.47Å; F284-S286 VanDerWaalsContact C-N 3.28Å; F284-F289 AromaticContact CD1-CD1 3.98Å; F284-F289 HydrophobicContact CD1-CD1 3.98Å; F284-F289 AromaticContact CD1-CE1 3.64Å; F284-F289 HydrophobicContact CD1-CE1 3.64Å; F284-F289 HydrophobicContact CD1-CZ 4.44Å; F284-F289 AromaticContact CE1-CE1 3.99Å; F284-F289 HydrophobicContact CE1-CE1 3.99Å; F284-F289 HydrophobicContact CE1-CZ 4.39Å; F284-K290 WeakPolarHBondContact O-CE 3.47Å
285Q83.9Confident79Confident78 Ų7843.6 Ų43.636%0.36422%0.217SC..G310 helixtrans-75.2-14.3170.7-72.2-179.676.100114.6M59 Y279 Q280 G282 I283 K290M59-Q285 HydrophobicContact CE-CB 4.46Å; M59-Q285 HydrophobicContact SD-CB 4.43Å; Y279-Q285 WeakPolarHBondContact O-CG 3.45Å; Q280-Q285 PolarHBondContact O-NE2 3.14Å; Q280-Q285 PolarHBondContact O-OE1 3.03Å; G282-Q285 WeakPolarHBondContact O-CB 3.47Å; G282-Q285 PolarHBondContact O-N 3Å; G282-Q285 VanDerWaalsContact O-N 3.15Å; I283-Q285 PolarHBondContact O-N 2.93Å; Q285-K290 WeakPolarHBondContact O-CE 3.33Å
286S84.9Confident80.1Confident3 Ų337.9 Ų37.92%0.02119%0.186CC..SBendtrans-55.9141.7-174.7590000112.2M59 I283 F284 G288M59-S286 VanDerWaalsContact SD-CA 3.55Å; I283-S286 VanDerWaalsContact O-CB 3.23Å; I283-S286 WeakPolarHBondContact O-CB 3.45Å; I283-S286 PolarHBondContact O-N 3.01Å; I283-S286 PolarHBondContact O-OG 3.37Å; F284-S286 VanDerWaalsContact C-N 3.28Å; S286-G288 PolarHBondContact O-N 3.01Å
287I85.9Confident81.2Confident52 Ų5237.5 Ų37.527%0.26718%0.182SC..THydrogen-bonded Turntrans-73.7121.9173.7-60.2175000106.9I68 L318 A321 Y325I68-I287 WeakPolarHBondContact CG1-O 3.44Å; I287-L318 HydrophobicContact CG2-CD1 3.79Å; I287-A321 HydrophobicContact CG2-CB 3.61Å; I287-Y325 VanDerWaalsContact CD1-CB 3.47Å; I287-Y325 HydrophobicContact CD1-CD1 3.87Å; I287-Y325 HydrophobicContact CD1-CD2 4.16Å; I287-Y325 HydrophobicContact CD1-CG 3.58Å
288G85.1Confident82.2Confident0 Ų036 Ų360%018%0.178CC..THydrogen-bonded Turntrans114.9-36.1-178.900000112.9I68 S286 E291 F292I68-G288 VanDerWaalsContact CD1-CA 3.48Å; S286-G288 PolarHBondContact O-N 3.01Å; G288-E291 VanDerWaalsContact CA-OE2 3.3Å; G288-E291 WeakPolarHBondContact CA-OE2 3.26Å; G288-E291 PolarHBondContact N-OE2 3.48Å; G288-F292 WeakPolarHBondContact O-CD2 3.36Å; G288-F292 PolarHBondContact O-N 3.49Å
289F85.6Confident82.8Confident1 Ų137.5 Ų37.50%0.00419%0.191CC..THydrogen-bonded Turntrans-68.5-42.8176.4-171.2-100.5000111.6L260 F263 H264 N268 Y279 F284 F292 H293 L296L260-F289 HydrophobicContact CD2-CB 4.41Å; L260-F289 HydrophobicContact CD2-CD2 3.66Å; L260-F289 HydrophobicContact CD2-CE2 4.43Å; F263-F289 AromaticContact CD1-CD2 3.85Å; F263-F289 HydrophobicContact CD1-CD2 3.85Å; F263-F289 AromaticContact CD1-CE2 3.45Å; F263-F289 HydrophobicContact CD1-CE2 3.45Å; F263-F289 VanDerWaalsContact CD1-CE2 3.45Å; F263-F289 AromaticContact CD1-CZ 3.95Å; F263-F289 HydrophobicContact CD1-CZ 3.95Å; F263-F289 HydrophobicContact CE1-CD2 4.29Å; F263-F289 HydrophobicContact CE1-CE2 4.04Å; F263-F289 HydrophobicContact CE1-CZ 4.19Å; F263-F289 HydrophobicContact CG-CE2 4.5Å; H264-F289 HydrophobicContact CB-CE2 4.49Å; N268-F289 HydrophobicContact CB-CE1 4.47Å; N268-F289 HydrophobicContact CB-CZ 3.83Å; Y279-F289 HydrophobicContact CD1-CD1 4.48Å; Y279-F289 AromaticContact CE1-CD1 3.93Å; Y279-F289 HydrophobicContact CE1-CD1 3.93Å; Y279-F289 AromaticContact CE1-CE1 3.88Å; Y279-F289 HydrophobicContact CE1-CE1 3.88Å; F284-F289 AromaticContact CD1-CD1 3.98Å; F284-F289 HydrophobicContact CD1-CD1 3.98Å; F284-F289 AromaticContact CD1-CE1 3.64Å; F284-F289 HydrophobicContact CD1-CE1 3.64Å; F284-F289 HydrophobicContact CD1-CZ 4.44Å; F284-F289 AromaticContact CE1-CE1 3.99Å; F284-F289 HydrophobicContact CE1-CE1 3.99Å; F284-F289 HydrophobicContact CE1-CZ 4.39Å; F289-F292 PolarHBondContact O-N 3.06Å; F289-H293 PolarHBondContact O-N 3.08Å; F289-L296 HydrophobicContact CD2-CD1 4.31Å; F289-L296 HydrophobicContact CE2-CD1 3.78Å; F289-L296 HydrophobicContact CZ-CD1 4.27Å
290K86.4Confident82.8Confident73 Ų7344.5 Ų44.532%0.31723%0.225SC..THydrogen-bonded Turntrans-69.6-38.1-178.4-57.1-179.9-174.1-1770112.3Y279 F284 Q285 F292 H293Y279-K290 HydrophobicContact CD1-CD 4.46Å; Y279-K290 HydrophobicContact CD1-CG 3.75Å; Y279-K290 HydrophobicContact CE1-CG 4.48Å; Y279-K290 HydrophobicContact CG-CD 4.49Å; Y279-K290 HydrophobicContact CG-CG 4.18Å; Y279-K290 WeakPolarHBondContact O-CE 3.37Å; Y279-K290 PolarHBondContact O-NZ 3.44Å; F284-K290 WeakPolarHBondContact O-CE 3.47Å; Q285-K290 WeakPolarHBondContact O-CE 3.33Å; K290-F292 PolarHBondContact O-N 3.11Å; K290-H293 VanDerWaalsContact O-CB 3.24Å; K290-H293 WeakPolarHBondContact O-CB 3.49Å; K290-H293 PolarHBondContact O-N 3.03Å
291E90.1Very high83Confident50 Ų5044.5 Ų44.523%0.23424%0.238CC..THydrogen-bonded Turntrans-66.7-29.3-178-72.172.7-165.600111.7G288 G314 A317 L318 A321G288-E291 VanDerWaalsContact CA-OE2 3.3Å; G288-E291 WeakPolarHBondContact CA-OE2 3.26Å; G288-E291 PolarHBondContact N-OE2 3.48Å; E291-G314 WeakPolarHBondContact O-CA 3.5Å; E291-A317 HydrophobicContact CB-CB 3.93Å; E291-A317 HydrophobicContact CG-CB 3.79Å; E291-L318 HydrophobicContact CB-CB 4.5Å; E291-A321 HydrophobicContact CG-CB 4.41Å
292F88.7Confident83.3Confident0 Ų043.1 Ų43.10%024%0.235CC..THydrogen-bonded Turntrans-96.39.2176-74.6-96.4000113.6L257 L260 G288 F289 K290 D294 Y295 L296 R311 V315 L318L257-F292 HydrophobicContact CD2-CD1 3.9Å; L257-F292 HydrophobicContact CD2-CE1 3.51Å; L257-F292 HydrophobicContact CD2-CZ 4.27Å; L260-F292 HydrophobicContact CD1-CB 3.94Å; L260-F292 HydrophobicContact CD1-CD1 4.32Å; L260-F292 HydrophobicContact CD1-CD2 3.87Å; L260-F292 HydrophobicContact CD1-CE2 4.41Å; L260-F292 HydrophobicContact CD1-CG 3.77Å; G288-F292 WeakPolarHBondContact O-CD2 3.36Å; G288-F292 PolarHBondContact O-N 3.49Å; F289-F292 PolarHBondContact O-N 3.06Å; K290-F292 PolarHBondContact O-N 3.11Å; F292-D294 PolarHBondContact O-N 3.43Å; F292-Y295 HydrophobicContact CD1-CD1 4.12Å; F292-Y295 HydrophobicContact CD1-CG 4.46Å; F292-Y295 WeakPolarHBondContact O-CB 3.28Å; F292-Y295 PolarHBondContact O-N 3.33Å; F292-Y295 VanDerWaalsContact O-N 3.13Å; F292-L296 HydrophobicContact CB-CD1 4.28Å; F292-L296 HydrophobicContact CB-CG 4.44Å; F292-L296 VanDerWaalsContact O-CG 3.29Å; F292-L296 WeakPolarHBondContact O-CG 3.5Å; F292-L296 PolarHBondContact O-N 3.25Å; F292-R311 HydrophobicContact CE1-CG 4.49Å; F292-V315 HydrophobicContact CE1-CG2 4.1Å; F292-V315 HydrophobicContact CZ-CB 4.41Å; F292-V315 HydrophobicContact CZ-CG2 3.7Å; F292-L318 HydrophobicContact CE2-CB 4.04Å; F292-L318 HydrophobicContact CE2-CD2 3.84Å
293H86Confident83.7Confident36 Ų3645.4 Ų45.417%0.16725%0.25CS..Hα-helixtrans-53.8-54-179.7177.860.8000112.2Q277 Y279 F289 K290 Y295 L296 T297Q277-H293 PolarHBondContact OE1-CE1 2.94Å; Q277-H293 PolarHBondContact OE1-NE2 3.46Å; Y279-H293 AromaticContact CZ-ND1 3.72Å; Y279-H293 PolarHBondContact OH-CE1 3.48Å; Y279-H293 PolarHBondContact OH-ND1 3.22Å; F289-H293 PolarHBondContact O-N 3.08Å; K290-H293 VanDerWaalsContact O-CB 3.24Å; K290-H293 WeakPolarHBondContact O-CB 3.49Å; K290-H293 PolarHBondContact O-N 3.03Å; H293-Y295 PolarHBondContact O-N 3.44Å; H293-L296 PolarHBondContact O-N 2.66Å; H293-T297 WeakPolarHBondContact CE1-CG2 3.34Å; H293-T297 PolarHBondContact O-N 3.48Å; H293-T297 PolarHBondContact O-OG1 2.99Å
294D85.7Confident83.8Confident71 Ų7150.4 Ų50.438%0.3827%0.273SS..Hα-helixtrans-56.2-36.6-179.5-62.7-9.1000111.9F292 A298 L310 K313F292-D294 PolarHBondContact O-N 3.43Å; D294-A298 PolarHBondContact O-N 2.99Å; D294-L310 HydrophobicContact CB-CD2 4.04Å; D294-K313 IonicContact OD2-NZ 2.86Å; D294-K313 PolarHBondContact OD2-NZ 3.02Å
295Y87.1Confident84Confident24 Ų2456.9 Ų56.99%0.09430%0.304CS..Hα-helixtrans-71.4-42.2178.3171.2-102.4000111.9L257 Q261 F292 H293 A298 R307 L310 R311L257-Y295 HydrophobicContact CD2-CE1 4.18Å; Q261-Y295 PolarHBondContact NE2-OH 3.07Å; F292-Y295 HydrophobicContact CD1-CD1 4.12Å; F292-Y295 HydrophobicContact CD1-CG 4.46Å; F292-Y295 WeakPolarHBondContact O-CB 3.28Å; F292-Y295 PolarHBondContact O-N 3.33Å; F292-Y295 VanDerWaalsContact O-N 3.13Å; H293-Y295 PolarHBondContact O-N 3.44Å; Y295-A298 WeakPolarHBondContact O-CB 3.48Å; Y295-A298 PolarHBondContact O-N 3.1Å; Y295-R307 WeakPolarHBondContact CD2-O 3.36Å; Y295-R307 HydrophobicContact CE2-CB 4.43Å; Y295-L310 HydrophobicContact CD2-CB 4.27Å; Y295-R311 HydrophobicContact CD2-CB 3.86Å; Y295-R311 HydrophobicContact CE2-CB 3.83Å
296L85.4Confident84.2Confident22 Ų2257.9 Ų57.912%0.11531%0.308CS..Hα-helixtrans-74.2-28.7-177.8-66.2168000113L260 Q261 H264 F289 F292 H293L260-L296 HydrophobicContact CB-CD1 4.39Å; L260-L296 HydrophobicContact CB-CD2 4.26Å; Q261-L296 HydrophobicContact CB-CD2 4.47Å; Q261-L296 HydrophobicContact CG-CD2 3.87Å; H264-L296 HydrophobicContact CB-CB 4.41Å; H264-L296 HydrophobicContact CB-CD1 4.21Å; H264-L296 HydrophobicContact CB-CD2 4.16Å; F289-L296 HydrophobicContact CD2-CD1 4.31Å; F289-L296 HydrophobicContact CE2-CD1 3.78Å; F289-L296 HydrophobicContact CZ-CD1 4.27Å; F292-L296 HydrophobicContact CB-CD1 4.28Å; F292-L296 HydrophobicContact CB-CG 4.44Å; F292-L296 VanDerWaalsContact O-CG 3.29Å; F292-L296 WeakPolarHBondContact O-CG 3.5Å; F292-L296 PolarHBondContact O-N 3.25Å; H293-L296 PolarHBondContact O-N 2.66Å
297T84.4Confident84.3Confident48 Ų4862 Ų6229%0.29432%0.324SS..THydrogen-bonded Turntrans-94.63.417756.70000113.9V272 H293V272-T297 HydrophobicContact CG1-CG2 4.05Å; V272-T297 HydrophobicContact CG2-CG2 4.16Å; H293-T297 WeakPolarHBondContact CE1-CG2 3.34Å; H293-T297 PolarHBondContact O-N 3.48Å; H293-T297 PolarHBondContact O-OG1 2.99Å
298A83.4Confident84.4Confident24 Ų2461.8 Ų61.820%0.19832%0.323CS..  trans-59.5132.2178.100000110D294 Y295 L310D294-A298 PolarHBondContact O-N 2.99Å; Y295-A298 WeakPolarHBondContact O-CB 3.48Å; Y295-A298 PolarHBondContact O-N 3.1Å; A298-L310 HydrophobicContact CB-CD1 3.98Å
299P78Confident84.7Confident75 Ų7568.6 Ų68.649%0.48735%0.353SS..  trans-55.5144.8177-23.831.5000111.9S301 S302P299-S301 WeakPolarHBondContact CB-OG 3.33Å; P299-S301 PolarHBondContact O-N 3.21Å; P299-S301 VanDerWaalsContact O-N 3.1Å; P299-S302 VanDerWaalsContact O-CB 3.28Å; P299-S302 WeakPolarHBondContact O-CB 3.33Å; P299-S302 PolarHBondContact O-N 3.42Å; P299-S302 PolarHBondContact O-OG 2.7Å
300E72.9Confident85Confident193 Ų19370.8 Ų70.890%0.90236%0.364SS*.THydrogen-bonded Turntrans-60.6-21.5173.9-67.3-174.7173.800112.4S302E300-S302 VanDerWaalsContact C-N 3.29Å; E300-S302 PolarHBondContact O-N 2.99Å
301S73.1Confident85.2Confident113 Ų11371 Ų7179%0.7936%0.363SS*.THydrogen-bonded Turntrans-77.6-6.5174.8610000114.6P299P299-S301 WeakPolarHBondContact CB-OG 3.33Å; P299-S301 PolarHBondContact O-N 3.21Å; P299-S301 VanDerWaalsContact O-N 3.1Å
302S80.4Confident85.3Confident32 Ų3272.3 Ų72.322%0.22437%0.371CS..SBendtrans-68.7143.7178.2-70.90000111.5P299 E300P299-S302 VanDerWaalsContact O-CB 3.28Å; P299-S302 WeakPolarHBondContact O-CB 3.33Å; P299-S302 PolarHBondContact O-N 3.42Å; P299-S302 PolarHBondContact O-OG 2.7Å; E300-S302 VanDerWaalsContact C-N 3.29Å; E300-S302 PolarHBondContact O-N 2.99Å
303S86.3Confident85.6Confident52 Ų5278 Ų7836%0.36440%0.396SS..  trans-65.8151.917865.90000111.3Q305 E306 R307S303-Q305 PolarHBondContact O-N 3.28Å; S303-E306 PolarHBondContact N-OE2 3.02Å; S303-E306 PolarHBondContact O-N 3.39Å; S303-E306 WeakPolarHBondContact OG-CG 3.32Å; S303-E306 PolarHBondContact OG-N 3.04Å; S303-E306 PolarHBondContact OG-OE2 3.01Å; S303-R307 PolarHBondContact O-N 3.27Å; S303-R307 VanDerWaalsContact O-N 3.13Å
304Q84.8Confident85.9Confident104 Ų10476.4 Ų76.449%0.48639%0.389SS..Hα-helixtrans-57.1-36.7177-17757.43500111.7E306 R307 D308Q304-E306 PolarHBondContact O-N 3.08Å; Q304-R307 PolarHBondContact O-N 2.75Å; Q304-D308 PolarHBondContact NE2-OD1 2.75Å; Q304-D308 PolarHBondContact NE2-OD2 3.11Å; Q304-D308 VanDerWaalsContact O-CG 3.3Å; Q304-D308 PolarHBondContact O-N 3.06Å
305Q86.6Confident86.3Confident144 Ų14473.6 Ų73.667%0.67337%0.374SS*.Hα-helixtrans-64.6-35.7176.6-68.2-177.1-5.600113.4S303 K309S303-Q305 PolarHBondContact O-N 3.28Å; Q305-K309 VanDerWaalsContact O-CG 3.28Å; Q305-K309 WeakPolarHBondContact O-CG 3.44Å; Q305-K309 PolarHBondContact O-N 3.33Å; Q305-K309 VanDerWaalsContact O-N 3.14Å
306E88Confident86.7Confident98 Ų9877.4 Ų77.446%0.45839%0.393SS..Hα-helixtrans-70.5-41.4175.8-74.3164.6147.400111.3S303 Q304 D308 K309 L310S303-E306 PolarHBondContact N-OE2 3.02Å; S303-E306 PolarHBondContact O-N 3.39Å; S303-E306 WeakPolarHBondContact OG-CG 3.32Å; S303-E306 PolarHBondContact OG-N 3.04Å; S303-E306 PolarHBondContact OG-OE2 3.01Å; Q304-E306 PolarHBondContact O-N 3.08Å; E306-D308 VanDerWaalsContact C-N 3.35Å; E306-D308 PolarHBondContact O-N 2.9Å; E306-K309 PolarHBondContact O-N 3.5Å; E306-L310 WeakPolarHBondContact O-CG 3.34Å; E306-L310 PolarHBondContact O-N 3.01Å
307R85.9Confident87.1Confident90 Ų9078 Ų7834%0.3440%0.401SS..Hα-helixtrans-61.2-42.9175.3-76176.517.2130.2-1.8112.1Y295 S303 Q304 L310 R311Y295-R307 WeakPolarHBondContact CD2-O 3.36Å; Y295-R307 HydrophobicContact CE2-CB 4.43Å; S303-R307 PolarHBondContact O-N 3.27Å; S303-R307 VanDerWaalsContact O-N 3.13Å; Q304-R307 PolarHBondContact O-N 2.75Å; R307-L310 PolarHBondContact O-N 2.96Å; R307-R311 WeakPolarHBondContact O-CB 3.35Å; R307-R311 PolarHBondContact O-N 3.11Å
308D88.6Confident87.5Confident47 Ų4775.9 Ų75.925%0.25139%0.388SS..Hα-helixtrans-64.5-40.9177.2-68.8-31.8000111.3Q304 E306 L310 R311 D312Q304-D308 PolarHBondContact NE2-OD1 2.75Å; Q304-D308 PolarHBondContact NE2-OD2 3.11Å; Q304-D308 VanDerWaalsContact O-CG 3.3Å; Q304-D308 PolarHBondContact O-N 3.06Å; E306-D308 VanDerWaalsContact C-N 3.35Å; E306-D308 PolarHBondContact O-N 2.9Å; D308-L310 PolarHBondContact O-N 3.33Å; D308-R311 WeakPolarHBondContact O-CB 3.5Å; D308-R311 PolarHBondContact O-N 3.33Å; D308-R311 IonicContact OD1-CZ 3.48Å; D308-R311 IonicContact OD1-NH1 3.95Å; D308-R311 PolarHBondContact OD1-NH1 2.68Å; D308-D312 PolarHBondContact O-N 3.26Å
309K92.1Very high88Confident144 Ų14476 Ų7663%0.62638%0.384SS*.Hα-helixtrans-61.4-41.7173.3-73.9171.5-175.8174.80112.7Q305 E306 K313Q305-K309 VanDerWaalsContact O-CG 3.28Å; Q305-K309 WeakPolarHBondContact O-CG 3.44Å; Q305-K309 PolarHBondContact O-N 3.33Å; Q305-K309 VanDerWaalsContact O-N 3.14Å; E306-K309 PolarHBondContact O-N 3.5Å; K309-K313 WeakPolarHBondContact O-CB 3.5Å; K309-K313 PolarHBondContact O-N 3.05Å
310L91.2Very high88.8Confident46 Ų4676.1 Ų76.124%0.24138%0.38CS..Hα-helixtrans-67.8-38.9177.5-71.6174.4000111.8D294 Y295 A298 E306 R307 D308 K313 G314D294-L310 HydrophobicContact CB-CD2 4.04Å; Y295-L310 HydrophobicContact CD2-CB 4.27Å; A298-L310 HydrophobicContact CB-CD1 3.98Å; E306-L310 WeakPolarHBondContact O-CG 3.34Å; E306-L310 PolarHBondContact O-N 3.01Å; R307-L310 PolarHBondContact O-N 2.96Å; D308-L310 PolarHBondContact O-N 3.33Å; L310-K313 PolarHBondContact O-N 2.95Å; L310-G314 PolarHBondContact O-N 3.1Å
311R91Very high89.8Confident78 Ų7867.8 Ų67.829%0.29434%0.344SS..Hα-helixtrans-58.2-53.2172.7-179.3-162.468.1-158.2-1.7110.4L257 F292 Y295 R307 D308 K313 G314 V315L257-R311 HydrophobicContact CD1-CG 4Å; L257-R311 HydrophobicContact CD2-CG 4.28Å; F292-R311 HydrophobicContact CE1-CG 4.49Å; Y295-R311 HydrophobicContact CD2-CB 3.86Å; Y295-R311 HydrophobicContact CE2-CB 3.83Å; R307-R311 WeakPolarHBondContact O-CB 3.35Å; R307-R311 PolarHBondContact O-N 3.11Å; D308-R311 WeakPolarHBondContact O-CB 3.5Å; D308-R311 PolarHBondContact O-N 3.33Å; D308-R311 IonicContact OD1-CZ 3.48Å; D308-R311 IonicContact OD1-NH1 3.95Å; D308-R311 PolarHBondContact OD1-NH1 2.68Å; R311-K313 VanDerWaalsContact C-N 3.3Å; R311-K313 PolarHBondContact O-N 3.39Å; R311-G314 WeakPolarHBondContact O-CA 3.49Å; R311-G314 PolarHBondContact O-N 3.46Å; R311-V315 WeakPolarHBondContact O-CG2 3.29Å; R311-V315 PolarHBondContact O-N 3.41Å
312D92.4Very high90.7Very high78 Ų7863.2 Ų63.242%0.41731%0.311SS..Hα-helixtrans-63.9-37.8-176.5-62.2-12.9000111.2D308 G314 V315 E316D308-D312 PolarHBondContact O-N 3.26Å; D312-G314 VanDerWaalsContact C-N 3.35Å; D312-G314 PolarHBondContact O-N 3.48Å; D312-V315 PolarHBondContact O-N 3.18Å; D312-E316 PolarHBondContact O-N 3.32Å
313K93.7Very high91.3Very high120 Ų12063.5 Ų63.552%0.52231%0.308SS..Hα-helixtrans-59.6-43.1170.8-176.6-169.4173.3-160.10112D294 K309 L310 R311 A317D294-K313 IonicContact OD2-NZ 2.86Å; D294-K313 PolarHBondContact OD2-NZ 3.02Å; K309-K313 WeakPolarHBondContact O-CB 3.5Å; K309-K313 PolarHBondContact O-N 3.05Å; L310-K313 PolarHBondContact O-N 2.95Å; R311-K313 VanDerWaalsContact C-N 3.3Å; R311-K313 PolarHBondContact O-N 3.39Å; K313-A317 WeakPolarHBondContact O-CB 3.35Å; K313-A317 PolarHBondContact O-N 3.26Å
314G93Very high91.6Very high1 Ų169.3 Ų69.31%0.0132%0.323CS..Hα-helixtrans-63.8-41.6176.700000112.7E291 L310 R311 D312 A317 L318E291-G314 WeakPolarHBondContact O-CA 3.5Å; L310-G314 PolarHBondContact O-N 3.1Å; R311-G314 WeakPolarHBondContact O-CA 3.49Å; R311-G314 PolarHBondContact O-N 3.46Å; D312-G314 VanDerWaalsContact C-N 3.35Å; D312-G314 PolarHBondContact O-N 3.48Å; G314-A317 PolarHBondContact O-N 2.78Å; G314-L318 WeakPolarHBondContact O-CB 3.5Å; G314-L318 PolarHBondContact O-N 3.32Å
315V94.1Very high91.9Very high12 Ų1267.4 Ų67.47%0.07331%0.311CS..Hα-helixtrans-60.9-49.6175.9173.80000111.2V248 L252 F292 R311 D312 A317 L318 K319V248-V315 HydrophobicContact CG1-CG1 4.3Å; L252-V315 HydrophobicContact CD1-CB 4.37Å; L252-V315 HydrophobicContact CD1-CG1 3.78Å; L252-V315 HydrophobicContact CD1-CG2 3.6Å; L252-V315 HydrophobicContact CD2-CG2 3.94Å; L252-V315 HydrophobicContact CG-CG2 4.39Å; F292-V315 HydrophobicContact CE1-CG2 4.1Å; F292-V315 HydrophobicContact CZ-CB 4.41Å; F292-V315 HydrophobicContact CZ-CG2 3.7Å; R311-V315 WeakPolarHBondContact O-CG2 3.29Å; R311-V315 PolarHBondContact O-N 3.41Å; D312-V315 PolarHBondContact O-N 3.18Å; V315-A317 VanDerWaalsContact C-N 3.33Å; V315-A317 PolarHBondContact O-N 2.83Å; V315-L318 WeakPolarHBondContact O-CB 3.16Å; V315-L318 PolarHBondContact O-N 2.97Å; V315-K319 HydrophobicContact CG1-CD 4.42Å; V315-K319 WeakPolarHBondContact O-CG 3.18Å; V315-K319 PolarHBondContact O-N 2.92Å
316E94.5Very high92.1Very high104 Ų10460.6 Ų60.649%0.48628%0.279SS..Hα-helixtrans-63.5-40.5178.7-72.3-55.9129.100111.9D312 L318 K319 I320D312-E316 PolarHBondContact O-N 3.32Å; E316-L318 VanDerWaalsContact C-N 3.34Å; E316-L318 PolarHBondContact O-N 3.34Å; E316-K319 PolarHBondContact O-N 2.92Å; E316-I320 WeakPolarHBondContact O-CD1 3.37Å; E316-I320 VanDerWaalsContact O-CG1 3.26Å; E316-I320 WeakPolarHBondContact O-CG1 3.21Å; E316-I320 PolarHBondContact O-N 2.94Å
317A93.7Very high92.2Very high35 Ų3560.8 Ų60.829%0.28928%0.276SS..Hα-helixtrans-61.6-41.9174.300000111.8E291 K313 G314 V315 I320 A321E291-A317 HydrophobicContact CB-CB 3.93Å; E291-A317 HydrophobicContact CG-CB 3.79Å; K313-A317 WeakPolarHBondContact O-CB 3.35Å; K313-A317 PolarHBondContact O-N 3.26Å; G314-A317 PolarHBondContact O-N 2.78Å; V315-A317 VanDerWaalsContact C-N 3.33Å; V315-A317 PolarHBondContact O-N 2.83Å; A317-I320 PolarHBondContact O-N 3.29Å; A317-A321 VanDerWaalsContact O-CB 3.27Å; A317-A321 WeakPolarHBondContact O-CB 3.28Å; A317-A321 PolarHBondContact O-N 3.34Å
318L93.8Very high92.3Very high3 Ų363.3 Ų63.32%0.01629%0.29CS..Hα-helixtrans-62.5-46.1175.9171.157.4000111.8V248 L256 I287 E291 F292 G314 V315 E316 I320 A321 T322V248-L318 HydrophobicContact CG1-CD2 3.77Å; V248-L318 HydrophobicContact CG1-CG 4.06Å; V248-L318 HydrophobicContact CG2-CD2 4.38Å; V248-L318 HydrophobicContact CG2-CG 4.11Å; L256-L318 HydrophobicContact CD2-CD2 3.76Å; I287-L318 HydrophobicContact CG2-CD1 3.79Å; E291-L318 HydrophobicContact CB-CB 4.5Å; F292-L318 HydrophobicContact CE2-CB 4.04Å; F292-L318 HydrophobicContact CE2-CD2 3.84Å; G314-L318 WeakPolarHBondContact O-CB 3.5Å; G314-L318 PolarHBondContact O-N 3.32Å; V315-L318 WeakPolarHBondContact O-CB 3.16Å; V315-L318 PolarHBondContact O-N 2.97Å; E316-L318 VanDerWaalsContact C-N 3.34Å; E316-L318 PolarHBondContact O-N 3.34Å; L318-I320 PolarHBondContact O-N 3.46Å; L318-A321 PolarHBondContact O-N 3.36Å; L318-T322 WeakPolarHBondContact O-CB 3.5Å; L318-T322 PolarHBondContact O-N 3.28Å; L318-T322 PolarHBondContact O-OG1 2.86Å
319K94.7Very high92.3Very high26 Ų2661.4 Ų61.411%0.11328%0.279CS..Hα-helixtrans-57.2-49.2175.2-72.7-178.9177.7-177.70111D245 V248 D249 V315 E316 A321 T322 K323D245-K319 HydrophobicContact CB-CD 4.42Å; V248-K319 HydrophobicContact CB-CG 3.96Å; V248-K319 HydrophobicContact CG1-CG 3.88Å; V248-K319 HydrophobicContact CG2-CG 4.1Å; D249-K319 WeakPolarHBondContact OD1-CE 3.48Å; D249-K319 IonicContact OD1-NZ 2.99Å; D249-K319 PolarHBondContact OD1-NZ 3.13Å; D249-K319 IonicContact OD2-NZ 2.7Å; D249-K319 PolarHBondContact OD2-NZ 3.4Å; V315-K319 HydrophobicContact CG1-CD 4.42Å; V315-K319 WeakPolarHBondContact O-CG 3.18Å; V315-K319 PolarHBondContact O-N 2.92Å; E316-K319 PolarHBondContact O-N 2.92Å; K319-A321 PolarHBondContact O-N 3.4Å; K319-T322 PolarHBondContact O-N 2.63Å; K319-K323 WeakPolarHBondContact O-CG 3.39Å; K319-K323 PolarHBondContact O-N 3.32Å
320I94Very high92.1Very high79 Ų7955.3 Ų55.341%0.40525%0.253SS..Hα-helixtrans-61.7-46.6178.7-67.6166.1000111.5E316 A317 L318 K323 R324E316-I320 WeakPolarHBondContact O-CD1 3.37Å; E316-I320 VanDerWaalsContact O-CG1 3.26Å; E316-I320 WeakPolarHBondContact O-CG1 3.21Å; E316-I320 PolarHBondContact O-N 2.94Å; A317-I320 PolarHBondContact O-N 3.29Å; L318-I320 PolarHBondContact O-N 3.46Å; I320-K323 PolarHBondContact O-N 3.29Å; I320-R324 WeakPolarHBondContact O-CG 3.31Å; I320-R324 PolarHBondContact O-N 3.48Å
321A93Very high91.8Very high18 Ų1859.9 Ų59.915%0.14927%0.271CS..Hα-helixtrans-63.4-42.1-179.100000111.7I287 E291 A317 L318 K319 R324 Y325I287-A321 HydrophobicContact CG2-CB 3.61Å; E291-A321 HydrophobicContact CG-CB 4.41Å; A317-A321 VanDerWaalsContact O-CB 3.27Å; A317-A321 WeakPolarHBondContact O-CB 3.28Å; A317-A321 PolarHBondContact O-N 3.34Å; L318-A321 PolarHBondContact O-N 3.36Å; K319-A321 PolarHBondContact O-N 3.4Å; A321-R324 PolarHBondContact O-N 2.97Å; A321-Y325 WeakPolarHBondContact O-CB 3.24Å; A321-Y325 PolarHBondContact O-N 3Å
322T92.6Very high91.5Very high16 Ų1660.1 Ų60.110%0.09827%0.272CS..Hα-helixtrans-61.9-46.2177-57.40000111.6T34 L244 L318 K319 R324 Y325 A326T34-T322 HydrophobicContact CG2-CG2 3.88Å; L244-T322 HydrophobicContact CB-CG2 4.39Å; L244-T322 HydrophobicContact CD1-CG2 4.31Å; L244-T322 HydrophobicContact CD2-CG2 3.93Å; L244-T322 HydrophobicContact CG-CG2 4.43Å; L318-T322 WeakPolarHBondContact O-CB 3.5Å; L318-T322 PolarHBondContact O-N 3.28Å; L318-T322 PolarHBondContact O-OG1 2.86Å; K319-T322 PolarHBondContact O-N 2.63Å; T322-R324 PolarHBondContact O-N 2.92Å; T322-Y325 WeakPolarHBondContact O-CB 3.37Å; T322-Y325 PolarHBondContact O-N 3.08Å; T322-A326 PolarHBondContact O-N 2.95Å
323K93.4Very high91Very high38 Ų3856.4 Ų56.417%0.16525%0.252CS..Hα-helixtrans-63.4-40.2175.5-67174.9-180172.40112.4D241 L244 D245 K319 I320 Y325 A326 R327D241-K323 HydrophobicContact CB-CD 4.2Å; D241-K323 WeakPolarHBondContact OD1-CG 3.49Å; L244-K323 HydrophobicContact CB-CG 4.45Å; L244-K323 HydrophobicContact CD1-CG 4.13Å; D245-K323 VanDerWaalsContact CG-CE 3.43Å; D245-K323 WeakPolarHBondContact OD1-CE 3.33Å; D245-K323 IonicContact OD1-NZ 3.02Å; D245-K323 PolarHBondContact OD1-NZ 3.39Å; D245-K323 WeakPolarHBondContact OD2-CE 3.15Å; D245-K323 IonicContact OD2-NZ 3.89Å; D245-K323 PolarHBondContact OD2-NZ 3.1Å; K319-K323 WeakPolarHBondContact O-CG 3.39Å; K319-K323 PolarHBondContact O-N 3.32Å; I320-K323 PolarHBondContact O-N 3.29Å; K323-Y325 VanDerWaalsContact C-N 3.31Å; K323-Y325 PolarHBondContact O-N 3.48Å; K323-A326 PolarHBondContact O-N 3.48Å; K323-R327 WeakPolarHBondContact O-CG 3.36Å; K323-R327 PolarHBondContact O-N 2.9Å; K323-R327 VanDerWaalsContact O-N 3.1Å
324R91.6Very high90.5Very high175 Ų17556.2 Ų56.266%0.6625%0.248SC*.Hα-helixtrans-62.2-40.2174.6-75.4174.5179.7-1793111.4I320 A321 T322 K328I320-R324 WeakPolarHBondContact O-CG 3.31Å; I320-R324 PolarHBondContact O-N 3.48Å; A321-R324 PolarHBondContact O-N 2.97Å; T322-R324 PolarHBondContact O-N 2.92Å; R324-K328 WeakPolarHBondContact O-CB 3.44Å; R324-K328 PolarHBondContact O-N 3.24Å
325Y91Very high89.7Confident63 Ų6358.8 Ų58.825%0.24726%0.262CS..Hα-helixtrans-64.5-48.2177-177.9-127.3000112.1T34 I287 A321 T322 K323 R327 K328 Q329T34-Y325 HydrophobicContact CG2-CD1 4.22Å; I287-Y325 VanDerWaalsContact CD1-CB 3.47Å; I287-Y325 HydrophobicContact CD1-CD1 3.87Å; I287-Y325 HydrophobicContact CD1-CD2 4.16Å; I287-Y325 HydrophobicContact CD1-CG 3.58Å; A321-Y325 WeakPolarHBondContact O-CB 3.24Å; A321-Y325 PolarHBondContact O-N 3Å; T322-Y325 WeakPolarHBondContact O-CB 3.37Å; T322-Y325 PolarHBondContact O-N 3.08Å; K323-Y325 VanDerWaalsContact C-N 3.31Å; K323-Y325 PolarHBondContact O-N 3.48Å; Y325-R327 VanDerWaalsContact C-N 3.34Å; Y325-R327 PolarHBondContact O-N 2.91Å; Y325-K328 WeakPolarHBondContact O-CB 3.33Å; Y325-K328 PolarHBondContact O-N 2.99Å; Y325-Q329 HydrophobicContact CD2-CG 4.32Å; Y325-Q329 HydrophobicContact CE1-CG 4.46Å; Y325-Q329 VanDerWaalsContact CE1-NE2 3.34Å; Y325-Q329 HydrophobicContact CE2-CG 4Å; Y325-Q329 WeakPolarHBondContact O-CG 3.22Å; Y325-Q329 PolarHBondContact O-N 2.81Å; Y325-Q329 PolarHBondContact OH-NE2 3.39Å
326A90.8Very high88.7Confident1 Ų161.8 Ų61.81%0.00827%0.272CS..Hα-helixtrans-54.6-46.7175.100000112.5A33 T34 L240 L244 T322 K323 K328 Q329 N330A33-A326 HydrophobicContact CB-CB 3.91Å; T34-A326 HydrophobicContact CG2-CB 4.23Å; L240-A326 HydrophobicContact CD2-CB 4.22Å; L244-A326 HydrophobicContact CD1-CB 3.72Å; T322-A326 PolarHBondContact O-N 2.95Å; K323-A326 PolarHBondContact O-N 3.48Å; A326-K328 VanDerWaalsContact C-N 3.35Å; A326-K328 PolarHBondContact O-N 3.11Å; A326-Q329 PolarHBondContact O-N 2.85Å; A326-N330 PolarHBondContact O-N 2.84Å
327R90.6Very high87.7Confident102 Ų10257 Ų5739%0.38525%0.25SC..Hα-helixtrans-61.6-40.7175.6-70.5176.7-179.8107.82.7112.4M237 D241 K323 Y325 N330 K331M237-R327 HydrophobicContact CE-CG 4.12Å; M237-R327 VanDerWaalsContact CE-NE 3.32Å; D241-R327 IonicContact OD1-CZ 3.63Å; D241-R327 IonicContact OD1-NH2 2.78Å; D241-R327 IonicContact OD2-CZ 2.71Å; D241-R327 IonicContact OD2-NH2 3.16Å; D241-R327 PolarHBondContact OD2-NH2 3Å; K323-R327 WeakPolarHBondContact O-CG 3.36Å; K323-R327 PolarHBondContact O-N 2.9Å; K323-R327 VanDerWaalsContact O-N 3.1Å; Y325-R327 VanDerWaalsContact C-N 3.34Å; Y325-R327 PolarHBondContact O-N 2.91Å; R327-N330 PolarHBondContact O-N 3.29Å; R327-K331 WeakPolarHBondContact O-CB 3.21Å; R327-K331 PolarHBondContact O-N 2.78Å
328K88.5Confident86.7Confident144 Ų14455.7 Ų55.763%0.62624%0.238SC*.Hα-helixtrans-63.8-42.2177.1-173.4-179.1178.3-175.30111.3R324 Y325 A326 K331 W332R324-K328 WeakPolarHBondContact O-CB 3.44Å; R324-K328 PolarHBondContact O-N 3.24Å; Y325-K328 WeakPolarHBondContact O-CB 3.33Å; Y325-K328 PolarHBondContact O-N 2.99Å; A326-K328 VanDerWaalsContact C-N 3.35Å; A326-K328 PolarHBondContact O-N 3.11Å; K328-K331 PolarHBondContact O-N 2.9Å; K328-W332 WeakPolarHBondContact O-CB 3.46Å; K328-W332 PolarHBondContact O-N 2.88Å
329Q89.1Confident85.3Confident7 Ų758.7 Ų58.73%0.03325%0.251CS..Hα-helixtrans-61.7-49.6176-69.9175.3-5100111.3G123 Y325 A326 K331 W332 V333G123-Q329 PolarHBondContact O-NE2 3.06Å; Y325-Q329 HydrophobicContact CD2-CG 4.32Å; Y325-Q329 HydrophobicContact CE1-CG 4.46Å; Y325-Q329 VanDerWaalsContact CE1-NE2 3.34Å; Y325-Q329 HydrophobicContact CE2-CG 4Å; Y325-Q329 WeakPolarHBondContact O-CG 3.22Å; Y325-Q329 PolarHBondContact O-N 2.81Å; Y325-Q329 PolarHBondContact OH-NE2 3.39Å; A326-Q329 PolarHBondContact O-N 2.85Å; Q329-K331 VanDerWaalsContact C-N 3.34Å; Q329-K331 PolarHBondContact O-N 2.69Å; Q329-W332 WeakPolarHBondContact O-CB 3.37Å; Q329-W332 PolarHBondContact O-N 3.45Å; Q329-W332 VanDerWaalsContact O-N 3.09Å; Q329-V333 WeakPolarHBondContact O-CG2 3.3Å; Q329-V333 PolarHBondContact O-N 3.27Å
330N87.9Confident83.6Confident16 Ų1661.8 Ų61.89%0.08626%0.262CS..Hα-helixtrans-61.1-41.5177.4-76.4-16.5000112.3A326 R327 W332 V333 R334A326-N330 PolarHBondContact O-N 2.84Å; R327-N330 PolarHBondContact O-N 3.29Å; N330-W332 VanDerWaalsContact C-N 3.31Å; N330-W332 PolarHBondContact O-N 3.45Å; N330-V333 PolarHBondContact O-N 3.05Å; N330-R334 WeakPolarHBondContact O-CB 3.09Å; N330-R334 WeakPolarHBondContact O-CG 3.48Å; N330-R334 PolarHBondContact O-N 3.44Å
331K85.1Confident81.5Confident141 Ų14163.4 Ų63.461%0.61328%0.277SS*.Hα-helixtrans-62.1-39.7174.6-175.8176.2-179.2179.10111.6R327 K328 Q329 N335R327-K331 WeakPolarHBondContact O-CB 3.21Å; R327-K331 PolarHBondContact O-N 2.78Å; K328-K331 PolarHBondContact O-N 2.9Å; Q329-K331 VanDerWaalsContact C-N 3.34Å; Q329-K331 PolarHBondContact O-N 2.69Å; K331-N335 VanDerWaalsContact O-CB 3.32Å; K331-N335 WeakPolarHBondContact O-CB 3.44Å; K331-N335 VanDerWaalsContact O-CG 3.24Å; K331-N335 PolarHBondContact O-N 3.36Å; K331-N335 VanDerWaalsContact O-N 3.08Å; K331-N335 PolarHBondContact O-ND2 3.12Å
332W83.4Confident79.7Confident83 Ų8363.7 Ų63.731%0.31428%0.282SS..Hα-helixtrans-63.7-52.8177.1-170.4-76.9000111.1N125 E129 K328 Q329 N330 R334 N335 R336N125-W332 HydrophobicContact CB-CG 4.15Å; N125-W332 VanDerWaalsContact ND2-CD1 3.32Å; E129-W332 PolarHBondContact OE1-NE1 3.45Å; K328-W332 WeakPolarHBondContact O-CB 3.46Å; K328-W332 PolarHBondContact O-N 2.88Å; Q329-W332 WeakPolarHBondContact O-CB 3.37Å; Q329-W332 PolarHBondContact O-N 3.45Å; Q329-W332 VanDerWaalsContact O-N 3.09Å; N330-W332 VanDerWaalsContact C-N 3.31Å; N330-W332 PolarHBondContact O-N 3.45Å; W332-R334 PolarHBondContact O-N 3.41Å; W332-N335 PolarHBondContact O-N 3Å; W332-N335 VanDerWaalsContact O-N 3.15Å; W332-R336 HydrophobicContact CD2-CG 4.36Å; W332-R336 HydrophobicContact CG-CG 4.42Å; W332-R336 HydrophobicContact CZ2-CG 4.36Å; W332-R336 WeakPolarHBondContact O-CB 3.42Å; W332-R336 PolarHBondContact O-N 3.26Å
333V83.6Confident77.7Confident0 Ų071.1 Ų71.10%032%0.321CS..Hα-helixtrans-56.5-49.8180177.50000110.8L31 W232 Q329 N330 N335 R336 F337 L338L31-V333 HydrophobicContact CD1-CG1 4.47Å; W232-V333 HydrophobicContact CD2-CG1 3.92Å; W232-V333 HydrophobicContact CG-CG1 3.84Å; Q329-V333 WeakPolarHBondContact O-CG2 3.3Å; Q329-V333 PolarHBondContact O-N 3.27Å; N330-V333 PolarHBondContact O-N 3.05Å; V333-N335 VanDerWaalsContact C-N 3.34Å; V333-N335 PolarHBondContact O-N 3.08Å; V333-R336 PolarHBondContact O-N 3.38Å; V333-F337 HydrophobicContact CG1-CB 4.36Å; V333-F337 HydrophobicContact CG1-CD2 4.34Å; V333-F337 WeakPolarHBondContact O-CB 3.46Å; V333-F337 PolarHBondContact O-N 3.28Å; V333-L338 PolarHBondContact O-N 3.07Å
334R81.4Confident75.9Confident117 Ų11770.9 Ų70.944%0.44232%0.324SS..Iπ-helixtrans-57.2-44.2177.6-73.2176.5174.9169.50112.8W232 N330 W332 L338 K339W232-R334 HydrophobicContact CH2-CG 3.97Å; W232-R334 HydrophobicContact CZ2-CG 4.21Å; N330-R334 WeakPolarHBondContact O-CB 3.09Å; N330-R334 WeakPolarHBondContact O-CG 3.48Å; N330-R334 PolarHBondContact O-N 3.44Å; W332-R334 PolarHBondContact O-N 3.41Å; R334-L338 HydrophobicContact CG-CD1 4.24Å; R334-L338 PolarHBondContact O-N 2.88Å; R334-K339 WeakPolarHBondContact O-CB 3.37Å; R334-K339 WeakPolarHBondContact O-CG 3.48Å; R334-K339 PolarHBondContact O-N 3.25Å
335N76.4Confident74.5Confident54 Ų5463.7 Ų63.729%0.28930%0.3SS..Iπ-helixtrans-80-29.7-174.9-72.3-23.8000114K331 W332 V333 K339K331-N335 VanDerWaalsContact O-CB 3.32Å; K331-N335 WeakPolarHBondContact O-CB 3.44Å; K331-N335 VanDerWaalsContact O-CG 3.24Å; K331-N335 PolarHBondContact O-N 3.36Å; K331-N335 VanDerWaalsContact O-N 3.08Å; K331-N335 PolarHBondContact O-ND2 3.12Å; W332-N335 PolarHBondContact O-N 3Å; W332-N335 VanDerWaalsContact O-N 3.15Å; V333-N335 VanDerWaalsContact C-N 3.34Å; V333-N335 PolarHBondContact O-N 3.08Å; N335-K339 WeakPolarHBondContact OD1-CD 3.29Å; N335-K339 PolarHBondContact OD1-NZ 3.3Å
336R73.8Confident73.4Confident75 Ų7561.2 Ų61.228%0.28329%0.291SS..Iπ-helixtrans-96.2-44.3-175.1-73.8-72.5-174.5166.65.3112.8L219 W332 V333L219-R336 WeakPolarHBondContact CD1-O 3.47Å; W332-R336 HydrophobicContact CD2-CG 4.36Å; W332-R336 HydrophobicContact CG-CG 4.42Å; W332-R336 HydrophobicContact CZ2-CG 4.36Å; W332-R336 WeakPolarHBondContact O-CB 3.42Å; W332-R336 PolarHBondContact O-N 3.26Å; V333-R336 PolarHBondContact O-N 3.38Å
337F73.2Confident72.7Confident5 Ų562.9 Ų62.92%0.02231%0.305CS..Iπ-helixtrans-95-33.1-175.5-69.1-89.9000113.4L31 E129 L132 W133 I230 V333 V348L31-F337 HydrophobicContact CD1-CD1 4.24Å; L31-F337 HydrophobicContact CD1-CD2 4.13Å; L31-F337 HydrophobicContact CD1-CE1 4.11Å; L31-F337 HydrophobicContact CD1-CE2 3.99Å; L31-F337 HydrophobicContact CD1-CG 4.25Å; L31-F337 HydrophobicContact CD1-CZ 3.97Å; E129-F337 HydrophobicContact CG-CE2 4.49Å; E129-F337 HydrophobicContact CG-CZ 4.23Å; L132-F337 HydrophobicContact CD1-CE1 3.7Å; L132-F337 HydrophobicContact CD1-CZ 4.2Å; W133-F337 HydrophobicContact CH2-CD1 4.2Å; W133-F337 AromaticContact CH2-CE1 3.66Å; W133-F337 HydrophobicContact CH2-CE1 3.66Å; W133-F337 HydrophobicContact CH2-CZ 4.12Å; W133-F337 HydrophobicContact CZ3-CE1 4.1Å; W133-F337 HydrophobicContact CZ3-CZ 4.17Å; I230-F337 HydrophobicContact CD1-CD1 4.12Å; I230-F337 HydrophobicContact CD1-CE1 3.97Å; V333-F337 HydrophobicContact CG1-CB 4.36Å; V333-F337 HydrophobicContact CG1-CD2 4.34Å; V333-F337 WeakPolarHBondContact O-CB 3.46Å; V333-F337 PolarHBondContact O-N 3.28Å; F337-V348 HydrophobicContact CB-CG2 4.24Å
338L73.4Confident72.4Confident7 Ų758.2 Ų58.24%0.03729%0.288CS..Iπ-helixtrans-101.3-36.7-171.5-58.1-179.7000115.2W232 V333 R334 R340 V348 I385 L387W232-L338 HydrophobicContact CE3-CD1 3.74Å; W232-L338 HydrophobicContact CH2-CD1 3.93Å; W232-L338 HydrophobicContact CZ3-CD1 3.36Å; V333-L338 PolarHBondContact O-N 3.07Å; R334-L338 HydrophobicContact CG-CD1 4.24Å; R334-L338 PolarHBondContact O-N 2.88Å; L338-R340 PolarHBondContact O-N 3.22Å; L338-V348 HydrophobicContact CD2-CB 4.02Å; L338-V348 HydrophobicContact CD2-CG1 3.96Å; L338-V348 HydrophobicContact CD2-CG2 4.43Å; L338-I385 HydrophobicContact CD1-CG2 4.36Å; L338-I385 HydrophobicContact CD2-CB 4.13Å; L338-I385 HydrophobicContact CD2-CG2 4.03Å; L338-L387 HydrophobicContact CB-CB 4.16Å; L338-L387 HydrophobicContact CB-CD1 3.62Å; L338-L387 HydrophobicContact CB-CG 3.87Å; L338-L387 HydrophobicContact CD1-CD1 3.92Å; L338-L387 HydrophobicContact CD1-CG 4.37Å; L338-L387 HydrophobicContact CG-CD1 4.45Å; L338-L387 WeakPolarHBondContact O-CB 3.35Å; L338-L387 PolarHBondContact O-N 3.28Å; L338-L387 VanDerWaalsContact O-N 3.11Å
339K64.2Low72.4Confident66 Ų6651.9 Ų51.929%0.28726%0.26SS..SBendtrans-83.4-1.6-173.4-79.9-175.3-174.21740115.4R334 N335 L387 D389R334-K339 WeakPolarHBondContact O-CB 3.37Å; R334-K339 WeakPolarHBondContact O-CG 3.48Å; R334-K339 PolarHBondContact O-N 3.25Å; N335-K339 WeakPolarHBondContact OD1-CD 3.29Å; N335-K339 PolarHBondContact OD1-NZ 3.3Å; K339-L387 HydrophobicContact CG-CB 4.25Å; K339-L387 HydrophobicContact CG-CD1 4.23Å; K339-D389 HydrophobicContact CB-CB 4.34Å; K339-D389 HydrophobicContact CG-CB 4.47Å
340R58.8Low72.4Confident91 Ų9153.6 Ų53.634%0.34327%0.273SS..  trans-118.4105-175.7-67.7-172.2-177.4-169.71108.8G218 L338 G342 V345G218-R340 PolarHBondContact O-NH1 3.11Å; L338-R340 PolarHBondContact O-N 3.22Å; R340-G342 PolarHBondContact O-N 3.48Å; R340-V345 WeakPolarHBondContact O-CG2 3.13Å
341P49Very low72.5Confident113 Ų11353 Ų5373%0.73427%0.27SS*.  trans-85.460.1-175.935.8-34.6000110
342G54.9Low72.8Confident24 Ų2449.8 Ų49.825%0.24726%0.259CS..  trans-77.8140.6168.800000109.7R340 S344 V345R340-G342 PolarHBondContact O-N 3.48Å; G342-S344 PolarHBondContact O-N 2.85Å; G342-S344 VanDerWaalsContact O-N 3.11Å; G342-V345 PolarHBondContact O-N 2.98Å; G342-V345 VanDerWaalsContact O-N 3.08Å
343D51.6Low73.1Confident172 Ų17245.9 Ų45.992%0.9224%0.244SC*.THydrogen-bonded Turntrans-61.4-16.3175.6-72.9-29.3000112.9
344S55Low73.4Confident33 Ų3348.2 Ų48.223%0.23126%0.259CS..THydrogen-bonded Turntrans-1018.2176.954.70000114.8D217 L223 G342D217-S344 WeakPolarHBondContact CB-OG 3.48Å; D217-S344 PolarHBondContact N-OG 3.32Å; D217-S344 VanDerWaalsContact N-OG 3.12Å; D217-S344 PolarHBondContact OD2-OG 3.44Å; L223-S344 WeakPolarHBondContact CD1-O 3.28Å; L223-S344 WeakPolarHBondContact CG-O 3.35Å; G342-S344 PolarHBondContact O-N 2.85Å; G342-S344 VanDerWaalsContact O-N 3.11Å
345V62.7Low73.7Confident24 Ų2445.9 Ų45.915%0.14526%0.255CS..SBendtrans-79.3126.9174.5-1770000109D217 L219 R340 G342D217-V345 WeakPolarHBondContact OD2-CG2 3.36Å; D217-V345 PolarHBondContact OD2-N 3.33Å; L219-V345 HydrophobicContact CD1-CG2 4.21Å; R340-V345 WeakPolarHBondContact O-CG2 3.13Å; G342-V345 PolarHBondContact O-N 2.98Å; G342-V345 VanDerWaalsContact O-N 3.08Å
346P68.1Low74.1Confident11 Ų1147 Ų477%0.07126%0.264CS..PPolyproline II helixtrans-57.5150.3179.9-24.734.7000112.4L223 P228 I230 V348L223-P346 HydrophobicContact CD1-CG 3.88Å; L223-P346 HydrophobicContact CD2-CG 3.68Å; L223-P346 HydrophobicContact CG-CG 4.45Å; P228-P346 HydrophobicContact CG-CB 3.91Å; P228-P346 HydrophobicContact CG-CG 3.82Å; I230-P346 HydrophobicContact CD1-CB 3.57Å; I230-P346 HydrophobicContact CD1-CG 3.79Å; I230-P346 HydrophobicContact CG1-CB 3.9Å; P346-V348 WeakPolarHBondContact O-CG2 3.4Å; P346-V348 PolarHBondContact O-N 3.35Å
347A75.6Confident74.8Confident36 Ų3648.3 Ų48.330%0.29828%0.284SS..PPolyproline II helixtrans-60.1119.4171.100000110.1I230 Y349 P384I230-A347 PolarHBondContact N-O 3.23Å; A347-Y349 HydrophobicContact CB-CE2 3.82Å; A347-P384 HydrophobicContact CB-CB 3.88Å; A347-P384 HydrophobicContact CB-CG 4.17Å
348V84.9Confident75.6Confident3 Ų355.4 Ų55.42%0.01831%0.311CS..EExtended strand (participates in β ladder)trans-105.4119.8177-1750000109.6I230 W232 F337 L338 P346 P384 I385I230-V348 HydrophobicContact CB-CG2 4.19Å; I230-V348 HydrophobicContact CD1-CG2 4.48Å; I230-V348 HydrophobicContact CG2-CG1 4.21Å; I230-V348 HydrophobicContact CG2-CG2 4.24Å; I230-V348 CarbonylContact O-C 3.57Å; I230-V348 WeakPolarHBondContact O-CA 3.41Å; W232-V348 HydrophobicContact CB-CG1 3.84Å; F337-V348 HydrophobicContact CB-CG2 4.24Å; L338-V348 HydrophobicContact CD2-CB 4.02Å; L338-V348 HydrophobicContact CD2-CG1 3.96Å; L338-V348 HydrophobicContact CD2-CG2 4.43Å; P346-V348 WeakPolarHBondContact O-CG2 3.4Å; P346-V348 PolarHBondContact O-N 3.35Å; V348-P384 CarbonylContact O-C 3.53Å; V348-P384 VanDerWaalsContact O-CA 3.31Å; V348-P384 WeakPolarHBondContact O-CA 3.28Å; V348-I385 PolarHBondContact O-N 3.08Å
349Y88.4Confident76.4Confident12 Ų1255.9 Ų55.95%0.04731%0.312CS..EExtended strand (participates in β ladder)trans-102.4121.1178.6-56.9-82.8000110.1I230 F231 W232 A347 I370 L374 P380 F382 P384I230-Y349 PolarHBondContact O-N 3.19Å; F231-Y349 CarbonylContact C-O 3.51Å; F231-Y349 WeakPolarHBondContact CA-O 3.41Å; F231-Y349 HydrophobicContact CE1-CD2 4.47Å; W232-Y349 PolarHBondContact N-O 2.99Å; A347-Y349 HydrophobicContact CB-CE2 3.82Å; Y349-I370 HydrophobicContact CD1-CD1 3.9Å; Y349-I370 HydrophobicContact CD1-CG1 4.37Å; Y349-I370 HydrophobicContact CD1-CG2 4.11Å; Y349-I370 HydrophobicContact CD2-CG2 3.89Å; Y349-I370 HydrophobicContact CE1-CG2 4.06Å; Y349-I370 HydrophobicContact CE2-CG2 3.84Å; Y349-I370 HydrophobicContact CG-CD1 3.97Å; Y349-I370 HydrophobicContact CG-CG2 4.03Å; Y349-L374 HydrophobicContact CE2-CD1 4.2Å; Y349-P380 HydrophobicContact CE1-CB 4.39Å; Y349-P380 HydrophobicContact CE1-CG 3.62Å; Y349-P380 WeakPolarHBondContact OH-CG 3.34Å; Y349-F382 WeakPolarHBondContact CD1-O 3.49Å; Y349-F382 WeakPolarHBondContact CE1-O 3.37Å; Y349-P384 HydrophobicContact CD1-CB 4.46Å; Y349-P384 HydrophobicContact CE1-CB 4.18Å
350S89.3Confident77.6Confident43 Ų4356.8 Ų56.830%0.30132%0.317SS..EExtended strand (participates in β ladder)trans-75.2139.7171.140.90000111.9W232 I385W232-S350 WeakPolarHBondContact O-CA 3.48Å; S350-I385 WeakPolarHBondContact OG-CD1 3.34Å
351L90.3Very high79.1Confident4 Ų458.5 Ų58.52%0.02133%0.329CS..EExtended strand (participates in β ladder)trans-123.9126.7165.2-58.6171.6000108.7L41 F231 W232 L233 H234 V363 P366 A367L41-L351 HydrophobicContact CD2-CD1 3.77Å; F231-L351 HydrophobicContact CB-CD1 4.13Å; F231-L351 HydrophobicContact CD1-CD1 3.69Å; F231-L351 HydrophobicContact CD1-CG 4.16Å; F231-L351 HydrophobicContact CE1-CD1 4.41Å; F231-L351 HydrophobicContact CG-CD1 4.05Å; W232-L351 PolarHBondContact O-N 2.88Å; L233-L351 WeakPolarHBondContact CA-O 3.43Å; L233-L351 HydrophobicContact CD1-CD1 4.26Å; H234-L351 PolarHBondContact CD2-O 3.06Å; H234-L351 PolarHBondContact N-O 2.97Å; L351-V363 HydrophobicContact CB-CG1 4.11Å; L351-V363 HydrophobicContact CD1-CG1 3.9Å; L351-P366 HydrophobicContact CD2-CB 3.92Å; L351-A367 HydrophobicContact CD1-CB 3.89Å
352D89.8Confident80.9Confident72 Ų7254.9 Ų54.939%0.38531%0.307SS..EExtended strand (participates in β ladder)trans-84.5118.6179.4-169.7-3.2000110.5H234 T354 S362H234-D352 IonicContact CE1-OD1 2.75Å; D352-T354 WeakPolarHBondContact OD1-CB 3.36Å; D352-T354 PolarHBondContact OD1-N 3.45Å; D352-T354 PolarHBondContact OD1-OG1 2.75Å; D352-S362 PolarHBondContact O-OG 3.06Å
353V91Very high82.6Confident2 Ų253.8 Ų53.81%0.01230%0.295CS..  trans-11424179.7-60.40000111.8T36 L233 H234 A235 R243 W359 V363T36-V353 HydrophobicContact CG2-CG2 4.15Å; L233-V353 HydrophobicContact CB-CG1 4.05Å; L233-V353 HydrophobicContact CB-CG2 4.31Å; L233-V353 HydrophobicContact CD2-CG1 4.05Å; L233-V353 HydrophobicContact CG-CG1 3.93Å; H234-V353 WeakPolarHBondContact O-CG2 3.49Å; H234-V353 PolarHBondContact O-N 2.98Å; A235-V353 HydrophobicContact CB-CG2 4Å; R243-V353 VanDerWaalsContact CZ-O 3.31Å; R243-V353 PolarHBondContact NH1-O 3.17Å; R243-V353 PolarHBondContact NH2-O 2.93Å; V353-W359 HydrophobicContact CB-CZ3 4.44Å; V353-W359 HydrophobicContact CG1-CE3 4.41Å; V353-W359 HydrophobicContact CG1-CZ3 3.77Å; V353-V363 HydrophobicContact CG1-CG1 4.26Å; V353-V363 HydrophobicContact CG1-CG2 3.64Å
354T88.9Confident84.5Confident49 Ų4945.6 Ų45.630%0.30125%0.251SS..SBendtrans-64-46.4178.5-58.60000111.2D236 A239 D352D236-T354 HydrophobicContact CB-CG2 3.81Å; D236-T354 PolarHBondContact N-OG1 3.23Å; A239-T354 HydrophobicContact CB-CG2 4Å; D352-T354 WeakPolarHBondContact OD1-CB 3.36Å; D352-T354 PolarHBondContact OD1-N 3.45Å; D352-T354 PolarHBondContact OD1-OG1 2.75Å
355D87.8Confident86.2Confident67 Ų6748.9 Ų48.936%0.35826%0.262SS..  trans-102.6111.3176.8-173.2-7000111S357 R358D355-S357 VanDerWaalsContact C-N 3.29Å; D355-S357 PolarHBondContact O-N 3.46Å; D355-S357 WeakPolarHBondContact OD1-CB 3.46Å; D355-S357 PolarHBondContact OD1-N 2.92Å; D355-S357 PolarHBondContact OD1-OG 2.67Å; D355-S357 PolarHBondContact OD2-OG 3.45Å; D355-R358 PolarHBondContact O-N 2.82Å; D355-R358 IonicContact OD2-NE 2.68Å
356V85.1Confident87.6Confident79 Ų7948.4 Ų48.448%0.47926%0.259SS..SBendtrans-71.3-26.1-179.4-175.50000111.7R358 W359V356-R358 PolarHBondContact O-N 3.38Å; V356-W359 WeakPolarHBondContact O-CB 3.45Å; V356-W359 PolarHBondContact O-N 2.92Å
357S88.3Confident88.7Confident102 Ų10247.9 Ų47.971%0.71326%0.255SS*.THydrogen-bonded Turntrans-66.9-29-179.972.30000112.2D355D355-S357 VanDerWaalsContact C-N 3.29Å; D355-S357 PolarHBondContact O-N 3.46Å; D355-S357 WeakPolarHBondContact OD1-CB 3.46Å; D355-S357 PolarHBondContact OD1-N 2.92Å; D355-S357 PolarHBondContact OD1-OG 2.67Å; D355-S357 PolarHBondContact OD2-OG 3.45Å
358R89.9Confident89.4Confident154 Ų15448 Ų4858%0.58125%0.251SS*.THydrogen-bonded Turntrans-95.716179.1-61.5-176.1-173.7-164.9-2113.8D355 V356 E360 E361 S362D355-R358 PolarHBondContact O-N 2.82Å; D355-R358 IonicContact OD2-NE 2.68Å; V356-R358 PolarHBondContact O-N 3.38Å; R358-E360 PolarHBondContact O-N 3.2Å; R358-E360 VanDerWaalsContact O-N 3.11Å; R358-E361 PolarHBondContact O-N 2.99Å; R358-S362 PolarHBondContact O-N 3.01Å; R358-S362 PolarHBondContact O-OG 3.05Å
359W90.3Very high89.6Confident17 Ų1752.8 Ų52.86%0.06427%0.273CS..Hα-helixtrans-47.7-44.2-176.4176.4-88.3000114G37 K40 L41 L233 V353 V356 E361 V363 L364G37-W359 WeakPolarHBondContact O-CH2 3.43Å; K40-W359 HydrophobicContact CB-CH2 4.45Å; K40-W359 HydrophobicContact CB-CZ2 4.12Å; K40-W359 HydrophobicContact CD-CD2 4.29Å; K40-W359 HydrophobicContact CD-CH2 4.48Å; K40-W359 HydrophobicContact CD-CZ2 3.95Å; K40-W359 HydrophobicContact CG-CZ2 3.95Å; L41-W359 HydrophobicContact CB-CH2 4.16Å; L41-W359 HydrophobicContact CB-CZ2 3.9Å; L41-W359 HydrophobicContact CD1-CZ2 4.46Å; L233-W359 HydrophobicContact CD2-CH2 4.21Å; V353-W359 HydrophobicContact CB-CZ3 4.44Å; V353-W359 HydrophobicContact CG1-CE3 4.41Å; V353-W359 HydrophobicContact CG1-CZ3 3.77Å; V356-W359 WeakPolarHBondContact O-CB 3.45Å; V356-W359 PolarHBondContact O-N 2.92Å; W359-E361 VanDerWaalsContact C-N 3.3Å; W359-E361 PolarHBondContact O-N 3.29Å; W359-V363 HydrophobicContact CD2-CB 4.17Å; W359-V363 HydrophobicContact CD2-CG2 4.07Å; W359-V363 HydrophobicContact CE3-CB 4.25Å; W359-V363 HydrophobicContact CE3-CG1 4.46Å; W359-V363 HydrophobicContact CE3-CG2 3.75Å; W359-V363 HydrophobicContact CH2-CG1 3.94Å; W359-V363 HydrophobicContact CZ2-CB 4.48Å; W359-V363 HydrophobicContact CZ2-CG1 4.02Å; W359-V363 HydrophobicContact CZ3-CB 4.45Å; W359-V363 HydrophobicContact CZ3-CG1 4.17Å; W359-V363 HydrophobicContact CZ3-CG2 4.05Å; W359-V363 VanDerWaalsContact O-CB 3.3Å; W359-V363 WeakPolarHBondContact O-CB 3.03Å; W359-V363 PolarHBondContact O-N 2.91Å; W359-L364 PolarHBondContact O-N 3.34Å; W359-L364 VanDerWaalsContact O-N 3.09Å
360E90.2Very high89.6Confident84 Ų8452.3 Ų52.339%0.39327%0.271SS..Iπ-helixtrans-62.9-38.9-178.5-165.864.5-162.200111.9R48 R358 L364 K365R48-E360 IonicContact NH2-OE1 3.67Å; R358-E360 PolarHBondContact O-N 3.2Å; R358-E360 VanDerWaalsContact O-N 3.11Å; E360-L364 WeakPolarHBondContact OE2-CD2 3.47Å; E360-K365 WeakPolarHBondContact O-CB 3.34Å; E360-K365 VanDerWaalsContact O-CG 3.28Å; E360-K365 WeakPolarHBondContact O-CG 3.48Å; E360-K365 PolarHBondContact O-N 2.56Å
361E88.9Confident89.5Confident128 Ų12850.5 Ų50.560%0.59826%0.258SS*.Iπ-helixtrans-87.7-38.7-175-62.3-177.7167.500113R358 W359 P366R358-E361 PolarHBondContact O-N 2.99Å; W359-E361 VanDerWaalsContact C-N 3.3Å; W359-E361 PolarHBondContact O-N 3.29Å; E361-P366 WeakPolarHBondContact O-CD 3.38Å; E361-P366 WeakPolarHBondContact O-CG 3.45Å
362S87.7Confident89.4Confident37 Ų3753.9 Ų53.926%0.25928%0.276SS..Iπ-helixtrans-90-20.8-174.871.50000113.9D352 R358D352-S362 PolarHBondContact O-OG 3.06Å; R358-S362 PolarHBondContact O-N 3.01Å; R358-S362 PolarHBondContact O-OG 3.05Å
363V90.8Very high89.2Confident0 Ų051.4 Ų51.40%026%0.264CS..Iπ-helixtrans-123-59.8-173.1-166.20000111L41 L351 V353 W359 A367L41-V363 HydrophobicContact CD1-CG1 4.06Å; L41-V363 HydrophobicContact CD2-CG1 4.16Å; L351-V363 HydrophobicContact CB-CG1 4.11Å; L351-V363 HydrophobicContact CD1-CG1 3.9Å; V353-V363 HydrophobicContact CG1-CG1 4.26Å; V353-V363 HydrophobicContact CG1-CG2 3.64Å; W359-V363 HydrophobicContact CD2-CB 4.17Å; W359-V363 HydrophobicContact CD2-CG2 4.07Å; W359-V363 HydrophobicContact CE3-CB 4.25Å; W359-V363 HydrophobicContact CE3-CG1 4.46Å; W359-V363 HydrophobicContact CE3-CG2 3.75Å; W359-V363 HydrophobicContact CH2-CG1 3.94Å; W359-V363 HydrophobicContact CZ2-CB 4.48Å; W359-V363 HydrophobicContact CZ2-CG1 4.02Å; W359-V363 HydrophobicContact CZ3-CB 4.45Å; W359-V363 HydrophobicContact CZ3-CG1 4.17Å; W359-V363 HydrophobicContact CZ3-CG2 4.05Å; W359-V363 VanDerWaalsContact O-CB 3.3Å; W359-V363 WeakPolarHBondContact O-CB 3.03Å; W359-V363 PolarHBondContact O-N 2.91Å; V363-A367 WeakPolarHBondContact O-CB 3.23Å; V363-A367 PolarHBondContact O-N 3.44Å
364L91.6Very high88.8Confident1 Ų153.4 Ų53.41%0.00528%0.275CS..Iπ-helixtrans-74.1-51.5-165.3-171.154.2000112.5L41 E44 W359 E360 A367 L368L41-L364 HydrophobicContact CD1-CD1 3.91Å; E44-L364 HydrophobicContact CB-CD1 3.75Å; E44-L364 HydrophobicContact CB-CD2 4.27Å; E44-L364 HydrophobicContact CG-CD2 4.33Å; W359-L364 PolarHBondContact O-N 3.34Å; W359-L364 VanDerWaalsContact O-N 3.09Å; E360-L364 WeakPolarHBondContact OE2-CD2 3.47Å; L364-A367 PolarHBondContact O-N 2.88Å; L364-L368 HydrophobicContact CD1-CD1 4.12Å; L364-L368 HydrophobicContact CD1-CG 4.26Å; L364-L368 HydrophobicContact CG-CD1 4.08Å; L364-L368 VanDerWaalsContact O-CG 3.29Å; L364-L368 WeakPolarHBondContact O-CG 3.33Å; L364-L368 PolarHBondContact O-N 3.25Å
365K90.7Very high88.4Confident102 Ų10252.5 Ų52.544%0.44327%0.27SS..Hα-helixtrans-58.1-49.2176.2-75173.4-175.2171.80112.1E360 A367 L368 Q369E360-K365 WeakPolarHBondContact O-CB 3.34Å; E360-K365 VanDerWaalsContact O-CG 3.28Å; E360-K365 WeakPolarHBondContact O-CG 3.48Å; E360-K365 PolarHBondContact O-N 2.56Å; K365-A367 PolarHBondContact O-N 3.18Å; K365-L368 PolarHBondContact O-N 3.41Å; K365-Q369 WeakPolarHBondContact O-CB 3Å; K365-Q369 VanDerWaalsContact O-CG 3.29Å; K365-Q369 WeakPolarHBondContact O-CG 3.38Å; K365-Q369 PolarHBondContact O-N 3.38Å
366P91.4Very high88.1Confident13 Ų1354.7 Ų54.78%0.08428%0.277CS..Hα-helixtrans-59.5-43.6176.4-26.935.7000113.2L351 E361 L368 Q369 I370 F382L351-P366 HydrophobicContact CD2-CB 3.92Å; E361-P366 WeakPolarHBondContact O-CD 3.38Å; E361-P366 WeakPolarHBondContact O-CG 3.45Å; P366-L368 PolarHBondContact O-N 2.74Å; P366-Q369 PolarHBondContact O-N 3.4Å; P366-I370 WeakPolarHBondContact O-CD1 3.4Å; P366-I370 VanDerWaalsContact O-CG1 3.23Å; P366-I370 WeakPolarHBondContact O-CG1 3.1Å; P366-I370 PolarHBondContact O-N 2.75Å; P366-F382 HydrophobicContact CB-CD2 4.41Å; P366-F382 HydrophobicContact CB-CE2 4.01Å; P366-F382 HydrophobicContact CB-CZ 4.38Å
367A91.1Very high87.5Confident0 Ų053.2 Ų53.20%028%0.278CS..Hα-helixtrans-59.8-45.6177.900000112.1L41 F231 L351 V363 L364 K365 I370 L371L41-A367 HydrophobicContact CD1-CB 4.16Å; F231-A367 HydrophobicContact CE1-CB 4.11Å; F231-A367 HydrophobicContact CE2-CB 4.49Å; F231-A367 HydrophobicContact CZ-CB 4.07Å; L351-A367 HydrophobicContact CD1-CB 3.89Å; V363-A367 WeakPolarHBondContact O-CB 3.23Å; V363-A367 PolarHBondContact O-N 3.44Å; L364-A367 PolarHBondContact O-N 2.88Å; K365-A367 PolarHBondContact O-N 3.18Å; A367-I370 PolarHBondContact O-N 3.47Å; A367-L371 WeakPolarHBondContact O-CG 3.36Å; A367-L371 PolarHBondContact O-N 3.32Å
368L90.6Very high87.1Confident39 Ų3954 Ų5420%0.20427%0.27CS..Hα-helixtrans-67.4-39.2178.3-65.7171.9000112.1R48 L364 K365 P366 I370 L371 D372R48-L368 HydrophobicContact CB-CD2 4.44Å; L364-L368 HydrophobicContact CD1-CD1 4.12Å; L364-L368 HydrophobicContact CD1-CG 4.26Å; L364-L368 HydrophobicContact CG-CD1 4.08Å; L364-L368 VanDerWaalsContact O-CG 3.29Å; L364-L368 WeakPolarHBondContact O-CG 3.33Å; L364-L368 PolarHBondContact O-N 3.25Å; K365-L368 PolarHBondContact O-N 3.41Å; P366-L368 PolarHBondContact O-N 2.74Å; L368-I370 VanDerWaalsContact C-N 3.35Å; L368-L371 PolarHBondContact O-N 3.24Å; L368-D372 VanDerWaalsContact O-CB 3.31Å; L368-D372 WeakPolarHBondContact O-CB 3.43Å; L368-D372 PolarHBondContact O-N 3.25Å
369Q89.5Confident86.3Confident104 Ų10455.6 Ų55.649%0.48628%0.284SS..Hα-helixtrans-62.6-41.4175.4-76174.7-2300112K365 P366 D372 S373K365-Q369 WeakPolarHBondContact O-CB 3Å; K365-Q369 VanDerWaalsContact O-CG 3.29Å; K365-Q369 WeakPolarHBondContact O-CG 3.38Å; K365-Q369 PolarHBondContact O-N 3.38Å; P366-Q369 PolarHBondContact O-N 3.4Å; Q369-D372 PolarHBondContact O-N 3Å; Q369-S373 WeakPolarHBondContact O-CB 3.13Å; Q369-S373 PolarHBondContact O-N 3.07Å; Q369-S373 PolarHBondContact O-OG 2.94Å
370I88.6Confident85.6Confident2 Ų255.8 Ų55.81%0.0129%0.288CS..Hα-helixtrans-63.4-47.5175.9-68.8161.3000110F231 Y349 P366 A367 L368 D372 S373 L374 P380 F382F231-I370 HydrophobicContact CE1-CB 4.14Å; F231-I370 HydrophobicContact CE1-CD1 3.92Å; F231-I370 HydrophobicContact CE1-CG2 4.02Å; F231-I370 HydrophobicContact CZ-CB 4.26Å; F231-I370 HydrophobicContact CZ-CG2 4.11Å; Y349-I370 HydrophobicContact CD1-CD1 3.9Å; Y349-I370 HydrophobicContact CD1-CG1 4.37Å; Y349-I370 HydrophobicContact CD1-CG2 4.11Å; Y349-I370 HydrophobicContact CD2-CG2 3.89Å; Y349-I370 HydrophobicContact CE1-CG2 4.06Å; Y349-I370 HydrophobicContact CE2-CG2 3.84Å; Y349-I370 HydrophobicContact CG-CD1 3.97Å; Y349-I370 HydrophobicContact CG-CG2 4.03Å; P366-I370 WeakPolarHBondContact O-CD1 3.4Å; P366-I370 VanDerWaalsContact O-CG1 3.23Å; P366-I370 WeakPolarHBondContact O-CG1 3.1Å; P366-I370 PolarHBondContact O-N 2.75Å; A367-I370 PolarHBondContact O-N 3.47Å; L368-I370 VanDerWaalsContact C-N 3.35Å; I370-D372 PolarHBondContact O-N 3.37Å; I370-S373 PolarHBondContact O-N 3.37Å; I370-L374 HydrophobicContact CG2-CD1 3.85Å; I370-L374 HydrophobicContact CG2-CG 4.36Å; I370-L374 WeakPolarHBondContact O-CB 3.46Å; I370-L374 VanDerWaalsContact O-CG 3.23Å; I370-L374 WeakPolarHBondContact O-CG 3.46Å; I370-L374 PolarHBondContact O-N 2.94Å; I370-P380 HydrophobicContact CB-CB 4.43Å; I370-P380 HydrophobicContact CG1-CB 4.14Å; I370-P380 HydrophobicContact CG2-CB 4.28Å; I370-F382 HydrophobicContact CD1-CB 4.16Å; I370-F382 HydrophobicContact CD1-CD2 4.26Å; I370-F382 HydrophobicContact CG1-CB 4.4Å; I370-F382 HydrophobicContact CG1-CD2 4.18Å
371L87.9Confident84.6Confident5 Ų556 Ų563%0.02630%0.304CS..Hα-helixtrans-63.1-40.6178.5-69.2171.3000112.5P25 V28 I45 L49 C229 F231 A367 L368 S375P25-L371 HydrophobicContact CG-CD2 3.73Å; V28-L371 HydrophobicContact CG2-CD2 3.65Å; I45-L371 HydrophobicContact CD1-CD1 4.07Å; I45-L371 HydrophobicContact CG1-CD1 4.28Å; I45-L371 HydrophobicContact CG2-CD1 3.76Å; L49-L371 HydrophobicContact CD1-CB 4.13Å; L49-L371 HydrophobicContact CD1-CD1 3.59Å; L49-L371 HydrophobicContact CD1-CG 4.38Å; C229-L371 HydrophobicContact CB-CD2 4.24Å; F231-L371 HydrophobicContact CE2-CD1 4.01Å; F231-L371 HydrophobicContact CE2-CD2 3.92Å; F231-L371 HydrophobicContact CE2-CG 3.94Å; F231-L371 HydrophobicContact CZ-CD1 4.29Å; F231-L371 HydrophobicContact CZ-CD2 4.08Å; F231-L371 HydrophobicContact CZ-CG 3.85Å; A367-L371 WeakPolarHBondContact O-CG 3.36Å; A367-L371 PolarHBondContact O-N 3.32Å; L368-L371 PolarHBondContact O-N 3.24Å; L371-S375 WeakPolarHBondContact O-CB 3.35Å; L371-S375 PolarHBondContact O-N 2.83Å
372D87.8Confident83.7Confident75 Ų7554.3 Ų54.340%0.40130%0.295SS..Hα-helixtrans-64-46.7176.7-176.956.2000111.2L368 Q369 I370 L374 S375 K376L368-D372 VanDerWaalsContact O-CB 3.31Å; L368-D372 WeakPolarHBondContact O-CB 3.43Å; L368-D372 PolarHBondContact O-N 3.25Å; Q369-D372 PolarHBondContact O-N 3Å; I370-D372 PolarHBondContact O-N 3.37Å; D372-L374 PolarHBondContact O-N 3.23Å; D372-S375 PolarHBondContact O-N 3.4Å; D372-S375 PolarHBondContact O-OG 3.48Å; D372-K376 VanDerWaalsContact CG-NZ 3.34Å; D372-K376 WeakPolarHBondContact O-CG 3.36Å; D372-K376 PolarHBondContact O-N 2.68Å; D372-K376 VanDerWaalsContact OD1-CE 3.25Å; D372-K376 WeakPolarHBondContact OD1-CE 3.48Å; D372-K376 IonicContact OD1-NZ 3.29Å; D372-K376 PolarHBondContact OD1-NZ 3.48Å; D372-K376 WeakPolarHBondContact OD2-CE 3.39Å; D372-K376 IonicContact OD2-NZ 2.68Å; D372-K376 PolarHBondContact OD2-NZ 3.06Å
373S85.6Confident82.9Confident19 Ų1957.6 Ų57.613%0.13332%0.315CS..Hα-helixtrans-60.4-47.2177.2-52.60000111.4Q369 I370 S375 K376 G377 E378Q369-S373 WeakPolarHBondContact O-CB 3.13Å; Q369-S373 PolarHBondContact O-N 3.07Å; Q369-S373 PolarHBondContact O-OG 2.94Å; I370-S373 PolarHBondContact O-N 3.37Å; S373-S375 VanDerWaalsContact C-N 3.32Å; S373-S375 PolarHBondContact O-N 3.23Å; S373-K376 CarbonylContact O-C 3.54Å; S373-K376 PolarHBondContact O-N 3.44Å; S373-K376 VanDerWaalsContact O-N 3.13Å; S373-G377 PolarHBondContact O-N 3.12Å; S373-G377 VanDerWaalsContact O-N 3.11Å; S373-E378 CarbonylContact C-O 3.57Å; S373-E378 PolarHBondContact O-N 3.15Å
374L82.6Confident82.2Confident44 Ų4459.8 Ų59.823%0.2333%0.329CS..Hα-helixtrans-61.9-41.1177-70.4175000111.5C229 Y349 I370 D372 K376 G377 P380C229-L374 HydrophobicContact CB-CD1 3.87Å; Y349-L374 HydrophobicContact CE2-CD1 4.2Å; I370-L374 HydrophobicContact CG2-CD1 3.85Å; I370-L374 HydrophobicContact CG2-CG 4.36Å; I370-L374 WeakPolarHBondContact O-CB 3.46Å; I370-L374 VanDerWaalsContact O-CG 3.23Å; I370-L374 WeakPolarHBondContact O-CG 3.46Å; I370-L374 PolarHBondContact O-N 2.94Å; D372-L374 PolarHBondContact O-N 3.23Å; L374-K376 PolarHBondContact O-N 3.03Å; L374-G377 PolarHBondContact O-N 3.38Å; L374-P380 HydrophobicContact CD2-CG 4.46Å
375S80.5Confident81.5Confident30 Ų3062.2 Ų62.221%0.2134%0.342CS..Hα-helixtrans-62.1-32.3176.8790000112.8A22 M23 L371 D372 S373 G377A22-S375 CarbonylContact C-O 3.57Å; A22-S375 WeakPolarHBondContact CA-O 3.49Å; A22-S375 WeakPolarHBondContact CB-O 3.36Å; M23-S375 PolarHBondContact N-O 2.8Å; M23-S375 WeakPolarHBondContact O-CA 3.46Å; L371-S375 WeakPolarHBondContact O-CB 3.35Å; L371-S375 PolarHBondContact O-N 2.83Å; D372-S375 PolarHBondContact O-N 3.4Å; D372-S375 PolarHBondContact O-OG 3.48Å; S373-S375 VanDerWaalsContact C-N 3.32Å; S373-S375 PolarHBondContact O-N 3.23Å; S375-G377 VanDerWaalsContact C-N 3.33Å
376K80.4Confident80.2Confident113 Ų11366.6 Ų66.649%0.49136%0.355SS..Hα-helixtrans-83-7.7176.4-68.5168.7-179.61680113.4D372 S373 L374 E378D372-K376 VanDerWaalsContact CG-NZ 3.34Å; D372-K376 WeakPolarHBondContact O-CG 3.36Å; D372-K376 PolarHBondContact O-N 2.68Å; D372-K376 VanDerWaalsContact OD1-CE 3.25Å; D372-K376 WeakPolarHBondContact OD1-CE 3.48Å; D372-K376 IonicContact OD1-NZ 3.29Å; D372-K376 PolarHBondContact OD1-NZ 3.48Å; D372-K376 WeakPolarHBondContact OD2-CE 3.39Å; D372-K376 IonicContact OD2-NZ 2.68Å; D372-K376 PolarHBondContact OD2-NZ 3.06Å; S373-K376 CarbonylContact O-C 3.54Å; S373-K376 PolarHBondContact O-N 3.44Å; S373-K376 VanDerWaalsContact O-N 3.13Å; L374-K376 PolarHBondContact O-N 3.03Å; K376-E378 VanDerWaalsContact C-N 3.27Å; K376-E378 HydrophobicContact CB-CG 4.09Å
377G73.9Confident78.7Confident48 Ų4869.3 Ų69.350%0.49537%0.369SS..THydrogen-bonded Turntrans72.619.7-174.300000113.6S373 L374 S375S373-G377 PolarHBondContact O-N 3.12Å; S373-G377 VanDerWaalsContact O-N 3.11Å; L374-G377 PolarHBondContact O-N 3.38Å; S375-G377 VanDerWaalsContact C-N 3.33Å
378E80.2Confident76.6Confident119 Ų11978.7 Ų78.756%0.55641%0.413SS*.PPolyproline II helixtrans-90.9151.1175.9-65.7176.1-177.700110.3S373 K376S373-E378 CarbonylContact C-O 3.57Å; S373-E378 PolarHBondContact O-N 3.15Å; K376-E378 VanDerWaalsContact C-N 3.27Å; K376-E378 HydrophobicContact CB-CG 4.09Å
379E71.8Confident74.6Confident188 Ų18879.5 Ų79.588%0.87942%0.417SS*.PPolyproline II helixtrans-70.4125.6171.1-71.8-170168.500109.5
380P76.1Confident72.5Confident21 Ų2181.5 Ų81.514%0.13643%0.427CS..PPolyproline II helixtrans-64.9144.5-17923.4-30.3000111.1Y349 I370 L374 F382Y349-P380 HydrophobicContact CE1-CB 4.39Å; Y349-P380 HydrophobicContact CE1-CG 3.62Å; Y349-P380 WeakPolarHBondContact OH-CG 3.34Å; I370-P380 HydrophobicContact CB-CB 4.43Å; I370-P380 HydrophobicContact CG1-CB 4.14Å; I370-P380 HydrophobicContact CG2-CB 4.28Å; L374-P380 HydrophobicContact CD2-CG 4.46Å; P380-F382 PolarHBondContact O-N 2.8Å
381A68.3Low70.4Confident89 Ų8991.2 Ų91.274%0.73647%0.472SS*.SBendtrans-58-22.7178.400000113.7
382F71.9Confident68.7Low92 Ų9297.4 Ų97.440%0.40450%0.495SS..SBendtrans-102.1112.4176-61.3-78.2000109.9Y349 P366 I370 P380Y349-F382 WeakPolarHBondContact CD1-O 3.49Å; Y349-F382 WeakPolarHBondContact CE1-O 3.37Å; P366-F382 HydrophobicContact CB-CD2 4.41Å; P366-F382 HydrophobicContact CB-CE2 4.01Å; P366-F382 HydrophobicContact CB-CZ 4.38Å; I370-F382 HydrophobicContact CD1-CB 4.16Å; I370-F382 HydrophobicContact CD1-CD2 4.26Å; I370-F382 HydrophobicContact CG1-CB 4.4Å; I370-F382 HydrophobicContact CG1-CD2 4.18Å; P380-F382 PolarHBondContact O-N 2.8Å
383P70.5Confident67Low106 Ų10699.7 Ų99.769%0.68851%0.507SS*.PPolyproline II helixtrans-68.3146-179.928.1-34000110.7
384P76.1Confident65.6Low45 Ų45103.7 Ų103.729%0.29252%0.522SS..PPolyproline II helixtrans-64.2144174.826.8-33.4000111A347 V348 Y349 R386A347-P384 HydrophobicContact CB-CB 3.88Å; A347-P384 HydrophobicContact CB-CG 4.17Å; V348-P384 CarbonylContact O-C 3.53Å; V348-P384 VanDerWaalsContact O-CA 3.31Å; V348-P384 WeakPolarHBondContact O-CA 3.28Å; Y349-P384 HydrophobicContact CD1-CB 4.46Å; Y349-P384 HydrophobicContact CE1-CB 4.18Å; P384-R386 PolarHBondContact O-N 2.79Å
385I76.6Confident64.6Low52 Ų52107.6 Ų107.627%0.26753%0.534SS..PPolyproline II helixtrans-70.3129.6175.6-65171.9000109.3W232 L338 V348 S350 L387W232-I385 HydrophobicContact CE3-CD1 4.32Å; W232-I385 HydrophobicContact CZ3-CD1 4.27Å; L338-I385 HydrophobicContact CD1-CG2 4.36Å; L338-I385 HydrophobicContact CD2-CB 4.13Å; L338-I385 HydrophobicContact CD2-CG2 4.03Å; V348-I385 PolarHBondContact O-N 3.08Å; S350-I385 WeakPolarHBondContact OG-CD1 3.34Å; I385-L387 HydrophobicContact CG2-CG 4.4Å
386R63.3Low64Low195 Ų195107.6 Ų107.674%0.73653%0.534SS*.  trans-121.4120.6162.1-63.3-175.8176.6-172.4-2.2108.8P384P384-R386 PolarHBondContact O-N 2.79Å
387L59Low63.6Low69 Ų69107.3 Ų107.336%0.36153%0.529SS..  trans-87.3113.9168.4-70.5175000107.8L338 K339 I385 D389L338-L387 HydrophobicContact CB-CB 4.16Å; L338-L387 HydrophobicContact CB-CD1 3.62Å; L338-L387 HydrophobicContact CB-CG 3.87Å; L338-L387 HydrophobicContact CD1-CD1 3.92Å; L338-L387 HydrophobicContact CD1-CG 4.37Å; L338-L387 HydrophobicContact CG-CD1 4.45Å; L338-L387 WeakPolarHBondContact O-CB 3.35Å; L338-L387 PolarHBondContact O-N 3.28Å; L338-L387 VanDerWaalsContact O-N 3.11Å; K339-L387 HydrophobicContact CG-CB 4.25Å; K339-L387 HydrophobicContact CG-CD1 4.23Å; I385-L387 HydrophobicContact CG2-CG 4.4Å; L387-D389 PolarHBondContact O-N 3.28Å
388Q47.5Very low63.8Low198 Ų198106.9 Ų106.993%0.92552%0.515SS*.  trans-68.1115.2167.6-67.1-178.28.300108.4
389D48.8Very low63.6Low56 Ų56104.9 Ų104.930%0.29951%0.511SS..  trans-96.3125.4170.5-150.915.5000108.4K339 L387 Q391 K394K339-D389 HydrophobicContact CB-CB 4.34Å; K339-D389 HydrophobicContact CG-CB 4.47Å; L387-D389 PolarHBondContact O-N 3.28Å; D389-Q391 PolarHBondContact O-N 2.82Å; D389-K394 IonicContact OD2-NZ 2.73Å; D389-K394 PolarHBondContact OD2-NZ 3.48Å
390Q44.4Very low64Low146 Ų14696.3 Ų96.368%0.68247%0.471SS*.  trans-62125.2162.3-72176.1-20.900107R392Q390-R392 WeakPolarHBondContact O-CG 3.17Å; Q390-R392 PolarHBondContact O-N 2.52Å
391Q44.9Very low64Low205 Ų205101.1 Ų101.196%0.95850%0.496SS*.  trans-53.8102.1176.6-92.5163.2-3300110.1D389D389-Q391 PolarHBondContact O-N 2.82Å
392R53.2Low64.3Low136 Ų13698.2 Ų98.251%0.51347%0.472SS..  trans-105.2129.4172.9-68.7174.5-172.8-1682.5108.1Q390 K394Q390-R392 WeakPolarHBondContact O-CG 3.17Å; Q390-R392 PolarHBondContact O-N 2.52Å; R392-K394 VanDerWaalsContact C-N 3.31Å; R392-K394 PolarHBondContact O-N 3.1Å
393N51.4Low64.3Low122 Ų12294.3 Ų94.365%0.65246%0.456SS*.  trans-68.587.6175.3-91.6-18.6000110.6R395 D410N393-R395 VanDerWaalsContact C-N 3.27Å; N393-R395 PolarHBondContact O-N 2.76Å; N393-D410 WeakPolarHBondContact CB-OD2 3.32Å; N393-D410 PolarHBondContact O-N 3.33Å
394K57.3Low64.4Low103 Ų10396.6 Ų96.645%0.44846%0.462SS..THydrogen-bonded Turntrans-83.16.2179.8-68.9168.5-171.9160.10113.7D389 R392D389-K394 IonicContact OD2-NZ 2.73Å; D389-K394 PolarHBondContact OD2-NZ 3.48Å; R392-K394 VanDerWaalsContact C-N 3.31Å; R392-K394 PolarHBondContact O-N 3.1Å
395R60.5Low64.1Low127 Ų12799.4 Ų99.448%0.47947%0.47SS..THydrogen-bonded Turntrans-125.30.5-168.1-64-173.4-178175.32.2114.8N393N393-R395 VanDerWaalsContact C-N 3.27Å; N393-R395 PolarHBondContact O-N 2.76Å
396S68.3Low63.9Low30 Ų3099.2 Ų99.221%0.2147%0.469CS..  trans-69.7135.517445.70000110.3H398 I408 G409 D410S396-H398 PolarHBondContact OG-NE2 2.79Å; S396-I408 CarbonylContact O-C 3.17Å; S396-I408 WeakPolarHBondContact O-CA 3.44Å; S396-G409 PolarHBondContact O-N 3.02Å; S396-D410 WeakPolarHBondContact CB-OD1 3.28Å; S396-D410 PolarHBondContact OG-N 2.91Å; S396-D410 VanDerWaalsContact OG-N 3.1Å; S396-D410 PolarHBondContact OG-OD1 2.88Å; S396-D410 PolarHBondContact OG-OD2 3.49Å
397R72Confident64.5Low106 Ų10691 Ų9140%0.444%0.44SS..EExtended strand (participates in β ladder)trans-99.2127.1177.3-178.1-179178.7-177.52.6108.9H169 I406H169-R397 PolarHBondContact CE1-NH1 2.87Å; R397-I406 HydrophobicContact CG-CG2 3.97Å
398H76.8Confident65.1Low40 Ų4089.8 Ų89.819%0.18543%0.433CS..EExtended strand (participates in β ladder)trans-124.4141.2177.3-60.6-80000110.1S396 I406 I407 D410 W413S396-H398 PolarHBondContact OG-NE2 2.79Å; H398-I406 WeakPolarHBondContact O-CA 3.39Å; H398-I407 PolarHBondContact N-O 3Å; H398-I407 PolarHBondContact O-N 3.3Å; H398-D410 IonicContact CD2-OD1 3.55Å; H398-D410 IonicContact CE1-OD1 3.59Å; H398-D410 IonicContact NE2-OD1 3.97Å; H398-D410 PolarHBondContact NE2-OD1 3.34Å; H398-W413 HydrophobicContact CB-CB 4.05Å; H398-W413 HydrophobicContact CB-CD2 3.32Å; H398-W413 HydrophobicContact CB-CE3 3.3Å; H398-W413 HydrophobicContact CB-CG 3.66Å; H398-W413 HydrophobicContact CB-CH2 4.28Å; H398-W413 HydrophobicContact CB-CZ2 4.32Å; H398-W413 HydrophobicContact CB-CZ3 3.78Å; H398-W413 WeakPolarHBondContact CD2-CB 3.26Å; H398-W413 AromaticContact CD2-CD1 3.83Å; H398-W413 AromaticContact CD2-CG 3.49Å; H398-W413 VanDerWaalsContact CD2-CG 3.49Å; H398-W413 AromaticContact CE1-CD1 3.49Å; H398-W413 VanDerWaalsContact CE1-CD1 3.49Å; H398-W413 AromaticContact CE1-CG 3.94Å; H398-W413 AromaticContact CE1-NE1 3.91Å; H398-W413 AromaticContact CG-CD1 3.59Å; H398-W413 AromaticContact CG-CD2 3.51Å; H398-W413 AromaticContact CG-CE2 3.91Å; H398-W413 AromaticContact CG-CG 3.3Å; H398-W413 AromaticContact CG-NE1 3.93Å; H398-W413 AromaticContact ND1-CD1 3.39Å; H398-W413 AromaticContact ND1-CD2 3.86Å; H398-W413 AromaticContact ND1-CE2 3.77Å; H398-W413 AromaticContact ND1-CG 3.63Å; H398-W413 AromaticContact ND1-NE1 3.46Å; H398-W413 PolarHBondContact ND1-NE1 3.45Å; H398-W413 AromaticContact NE2-CD1 3.75Å; H398-W413 AromaticContact NE2-CG 3.87Å
399T76.2Confident66Low77 Ų7780.3 Ų80.347%0.47239%0.389SS..EExtended strand (participates in β ladder)trans-118127.2176.951.30000109.4I406 W413T399-I406 HydrophobicContact CG2-CG1 3.97Å; T399-W413 WeakPolarHBondContact O-CH2 3.48Å
400C80.1Confident66.8Low8 Ų880.2 Ų80.25%0.05439%0.388CS..EExtended strand (participates in β ladder)trans-99.7105.6174.5-179.10000110.5A402 C403 D404 K405 W413 H418 H424C400-A402 PolarHBondContact O-N 3.15Å; C400-C403 HydrophobicContact CB-CB 4.09Å; C400-C403 PolarHBondContact O-N 3.3Å; C400-C403 PolarHBondContact SG-N 3.4Å; C400-C403 VanDerWaalsContact SG-N 3.4Å; C400-D404 WeakPolarHBondContact O-CA 3.3Å; C400-D404 PolarHBondContact O-N 3.41Å; C400-K405 PolarHBondContact N-O 2.98Å; C400-K405 PolarHBondContact O-N 3.06Å; C400-W413 HydrophobicContact CB-CH2 4.21Å; C400-W413 HydrophobicContact CB-CZ3 3.84Å; C400-H418 VanDerWaalsContact CB-NE2 3.27Å; C400-H418 WeakPolarHBondContact CB-NE2 3.22Å; C400-H418 PolarHBondContact SG-NE2 2.97Å; C400-H424 PolarHBondContact SG-CE1 2.95Å; C400-H424 PolarHBondContact SG-ND1 3.19Å
401D76Confident67.8Low121 Ų12176.5 Ų76.565%0.64738%0.375SS*.THydrogen-bonded Turntrans-65.8-25.3179.9-54.3-29.2000113.1K431D401-K431 PolarHBondContact O-NZ 2.97Å
402A74.7Confident68.8Low28 Ų2871.2 Ų71.223%0.23135%0.35CS..THydrogen-bonded Turntrans-74.6-35.6177.100000112.2C400 H427 V428C400-A402 PolarHBondContact O-N 3.15Å; A402-H427 WeakPolarHBondContact O-CB 3.37Å; A402-V428 HydrophobicContact CB-CB 4.45Å; A402-V428 HydrophobicContact CB-CG2 3.46Å; A402-V428 VanDerWaalsContact CB-CG2 3.46Å
403C73.3Confident69.5Low11 Ų1167.5 Ų67.57%0.07434%0.336CS..THydrogen-bonded Turntrans-98-10.1-178.1-66.50000113.8C400 K405 H418 H424C400-C403 HydrophobicContact CB-CB 4.09Å; C400-C403 PolarHBondContact O-N 3.3Å; C400-C403 PolarHBondContact SG-N 3.4Å; C400-C403 VanDerWaalsContact SG-N 3.4Å; C403-K405 VanDerWaalsContact C-N 3.31Å; C403-K405 HydrophobicContact CB-CB 4.18Å; C403-K405 HydrophobicContact CB-CD 4.21Å; C403-K405 HydrophobicContact CB-CG 4.28Å; C403-K405 WeakPolarHBondContact O-CG 3.43Å; C403-K405 PolarHBondContact O-N 3.49Å; C403-H418 VanDerWaalsContact SG-CE1 3.6Å; C403-H424 VanDerWaalsContact SG-CA 3.55Å; C403-H424 PolarHBondContact SG-ND1 3.22Å; C403-H424 VanDerWaalsContact SG-ND1 3.37Å
404D71.3Confident70.5Confident154 Ų15464.5 Ų64.582%0.82432%0.323SS*.THydrogen-bonded Turntrans48.852-168.9-159.422.3000111.8C400C400-D404 WeakPolarHBondContact O-CA 3.3Å; C400-D404 PolarHBondContact O-N 3.41Å
405K71.1Confident70.3Confident103 Ų10361.2 Ų61.245%0.44832%0.315SS..EExtended strand (participates in β ladder)trans-134.2136.7-174.7-77.5176.9-171.8176.90112C400 C403C400-K405 PolarHBondContact N-O 2.98Å; C400-K405 PolarHBondContact O-N 3.06Å; C403-K405 VanDerWaalsContact C-N 3.31Å; C403-K405 HydrophobicContact CB-CB 4.18Å; C403-K405 HydrophobicContact CB-CD 4.21Å; C403-K405 HydrophobicContact CB-CG 4.28Å; C403-K405 WeakPolarHBondContact O-CG 3.43Å; C403-K405 PolarHBondContact O-N 3.49Å
406I72.7Confident70Confident48 Ų4859.8 Ų59.825%0.24633%0.33CS..EExtended strand (participates in β ladder)trans-89.7133.2169.8-60159.9000108.3H184 P185 R397 H398 T399H184-I406 PolarHBondContact NE2-O 3.06Å; P185-I406 HydrophobicContact CG-CD1 3.59Å; R397-I406 HydrophobicContact CG-CG2 3.97Å; H398-I406 WeakPolarHBondContact O-CA 3.39Å; T399-I406 HydrophobicContact CG2-CG1 3.97Å
407I74.4Confident70Confident24 Ų2460.8 Ų60.812%0.12334%0.34CS..EExtended strand (participates in β ladder)trans-128.3130.9-179.8-58.9-179.9000107.6H398 E412 W413 H418H398-I407 PolarHBondContact N-O 3Å; H398-I407 PolarHBondContact O-N 3.3Å; I407-E412 HydrophobicContact CG2-CB 3.68Å; I407-W413 HydrophobicContact CB-CE3 4.36Å; I407-W413 HydrophobicContact CD1-CE3 4.12Å; I407-W413 HydrophobicContact CD1-CZ3 4.43Å; I407-W413 HydrophobicContact CG2-CB 4.44Å; I407-H418 HydrophobicContact CD1-CB 3.55Å; I407-H418 WeakPolarHBondContact CD1-CD2 2.92Å; I407-H418 VanDerWaalsContact CD1-ND1 3.26Å; I407-H418 WeakPolarHBondContact CD1-ND1 3.21Å
408I71.5Confident70.2Confident42 Ų4256.7 Ų56.722%0.21533%0.326CS..EExtended strand (participates in β ladder)trans-110.9125.9-179.9-56.4178.3000108H184 S396H184-I408 HydrophobicContact CB-CD1 3.79Å; S396-I408 CarbonylContact O-C 3.17Å; S396-I408 WeakPolarHBondContact O-CA 3.44Å
409G66.9Low70.1Confident0 Ų058.1 Ų58.10%033%0.332CS..SBendtrans106.4137.1-17900000113.1S396 V411 E412 W413S396-G409 PolarHBondContact O-N 3.02Å; G409-V411 VanDerWaalsContact C-N 3.32Å; G409-V411 PolarHBondContact O-N 3.14Å; G409-E412 WeakPolarHBondContact CA-OE2 3.22Å; G409-E412 PolarHBondContact O-N 3.28Å; G409-W413 WeakPolarHBondContact O-CB 3.03Å; G409-W413 PolarHBondContact O-N 2.86Å
410D65.7Low69.9Low53 Ų5361.8 Ų61.828%0.28334%0.342SS..Hα-helixtrans-66-36.8-177.9-70.9-29.8000111.7N393 S396 H398 W413 T414N393-D410 WeakPolarHBondContact CB-OD2 3.32Å; N393-D410 PolarHBondContact O-N 3.33Å; S396-D410 WeakPolarHBondContact CB-OD1 3.28Å; S396-D410 PolarHBondContact OG-N 2.91Å; S396-D410 VanDerWaalsContact OG-N 3.1Å; S396-D410 PolarHBondContact OG-OD1 2.88Å; S396-D410 PolarHBondContact OG-OD2 3.49Å; H398-D410 IonicContact CD2-OD1 3.55Å; H398-D410 IonicContact CE1-OD1 3.59Å; H398-D410 IonicContact NE2-OD1 3.97Å; H398-D410 PolarHBondContact NE2-OD1 3.34Å; D410-W413 PolarHBondContact O-N 3.11Å; D410-T414 WeakPolarHBondContact O-CG2 3.01Å; D410-T414 PolarHBondContact O-N 3.37Å
411V64.8Low69.8Low68 Ų6863 Ų6341%0.41235%0.35SS..Hα-helixtrans-67.9-45.2-178.9179.40000110.5G409 W413 T414 A417G409-V411 VanDerWaalsContact C-N 3.32Å; G409-V411 PolarHBondContact O-N 3.14Å; V411-W413 PolarHBondContact O-N 3.46Å; V411-T414 PolarHBondContact O-N 3.46Å; V411-T414 PolarHBondContact O-OG1 3.32Å; V411-A417 WeakPolarHBondContact O-CB 3.47Å
412E67.5Low69.9Low94 Ų9466.6 Ų66.644%0.43936%0.36SS..Hα-helixtrans-63.7-32.8176.3-66.180.7179.400111.6I407 G409 A417 H418I407-E412 HydrophobicContact CG2-CB 3.68Å; G409-E412 WeakPolarHBondContact CA-OE2 3.22Å; G409-E412 PolarHBondContact O-N 3.28Å; E412-A417 WeakPolarHBondContact O-CB 3.47Å; E412-H418 WeakPolarHBondContact O-CB 3.41Å; E412-H418 PolarHBondContact O-N 2.8Å
413W67.1Low69.9Low58 Ų5872.6 Ų72.622%0.2238%0.381CS..Hα-helixtrans-75.5-36.1173.5176.5-117.2000113.7H398 T399 C400 I407 G409 D410 V411 H418 Q419H398-W413 HydrophobicContact CB-CB 4.05Å; H398-W413 HydrophobicContact CB-CD2 3.32Å; H398-W413 HydrophobicContact CB-CE3 3.3Å; H398-W413 HydrophobicContact CB-CG 3.66Å; H398-W413 HydrophobicContact CB-CH2 4.28Å; H398-W413 HydrophobicContact CB-CZ2 4.32Å; H398-W413 HydrophobicContact CB-CZ3 3.78Å; H398-W413 WeakPolarHBondContact CD2-CB 3.26Å; H398-W413 AromaticContact CD2-CD1 3.83Å; H398-W413 AromaticContact CD2-CG 3.49Å; H398-W413 VanDerWaalsContact CD2-CG 3.49Å; H398-W413 AromaticContact CE1-CD1 3.49Å; H398-W413 VanDerWaalsContact CE1-CD1 3.49Å; H398-W413 AromaticContact CE1-CG 3.94Å; H398-W413 AromaticContact CE1-NE1 3.91Å; H398-W413 AromaticContact CG-CD1 3.59Å; H398-W413 AromaticContact CG-CD2 3.51Å; H398-W413 AromaticContact CG-CE2 3.91Å; H398-W413 AromaticContact CG-CG 3.3Å; H398-W413 AromaticContact CG-NE1 3.93Å; H398-W413 AromaticContact ND1-CD1 3.39Å; H398-W413 AromaticContact ND1-CD2 3.86Å; H398-W413 AromaticContact ND1-CE2 3.77Å; H398-W413 AromaticContact ND1-CG 3.63Å; H398-W413 AromaticContact ND1-NE1 3.46Å; H398-W413 PolarHBondContact ND1-NE1 3.45Å; H398-W413 AromaticContact NE2-CD1 3.75Å; H398-W413 AromaticContact NE2-CG 3.87Å; T399-W413 WeakPolarHBondContact O-CH2 3.48Å; C400-W413 HydrophobicContact CB-CH2 4.21Å; C400-W413 HydrophobicContact CB-CZ3 3.84Å; I407-W413 HydrophobicContact CB-CE3 4.36Å; I407-W413 HydrophobicContact CD1-CE3 4.12Å; I407-W413 HydrophobicContact CD1-CZ3 4.43Å; I407-W413 HydrophobicContact CG2-CB 4.44Å; G409-W413 WeakPolarHBondContact O-CB 3.03Å; G409-W413 PolarHBondContact O-N 2.86Å; D410-W413 PolarHBondContact O-N 3.11Å; V411-W413 PolarHBondContact O-N 3.46Å; W413-H418 AromaticContact CZ3-CD2 3.96Å; W413-Q419 VanDerWaalsContact CE2-NE2 3.31Å; W413-Q419 WeakPolarHBondContact O-CG 3.41Å
414T71.7Confident70.2Confident60 Ų6073.4 Ų73.437%0.36838%0.384SS..SBendtrans-54.3159.8-171.562.50000112.8D410 V411 A416 A417 H418D410-T414 WeakPolarHBondContact O-CG2 3.01Å; D410-T414 PolarHBondContact O-N 3.37Å; V411-T414 PolarHBondContact O-N 3.46Å; V411-T414 PolarHBondContact O-OG1 3.32Å; T414-A416 PolarHBondContact O-N 2.93Å; T414-A417 PolarHBondContact O-N 3.1Å; T414-H418 PolarHBondContact O-N 2.97Å
415A53Low70.5Confident34 Ų3471.1 Ų71.128%0.28137%0.368SS..Iπ-helixtrans-51.7-24.6177.600000114.4K420A415-K420 HydrophobicContact CB-CD 4.17Å; A415-K420 HydrophobicContact CB-CG 4.15Å; A415-K420 WeakPolarHBondContact O-CB 3.5Å; A415-K420 VanDerWaalsContact O-CD 3.28Å; A415-K420 WeakPolarHBondContact O-CD 3.5Å; A415-K420 WeakPolarHBondContact O-CG 3.4Å; A415-K420 PolarHBondContact O-N 3.27Å; A415-K420 VanDerWaalsContact O-N 3.15Å
416A54.7Low71Confident97 Ų9773.1 Ų73.180%0.80237%0.374SS*.Iπ-helixtrans-75.1-25.1177.500000114.7T414T414-A416 PolarHBondContact O-N 2.93Å
417A68.3Low71.3Confident51 Ų5173.7 Ų73.742%0.42138%0.375SS..Iπ-helixtrans-111-54.6-173.500000113V411 E412 T414V411-A417 WeakPolarHBondContact O-CB 3.47Å; E412-A417 WeakPolarHBondContact O-CB 3.47Å; T414-A417 PolarHBondContact O-N 3.1Å
418H77.4Confident71.5Confident20 Ų2074.1 Ų74.19%0.09338%0.379CS..Iπ-helixtrans-103.5-55.2-177.3179.567.3000114C400 C403 I407 E412 W413 T414 K420 S421 H424C400-H418 VanDerWaalsContact CB-NE2 3.27Å; C400-H418 WeakPolarHBondContact CB-NE2 3.22Å; C400-H418 PolarHBondContact SG-NE2 2.97Å; C403-H418 VanDerWaalsContact SG-CE1 3.6Å; I407-H418 HydrophobicContact CD1-CB 3.55Å; I407-H418 WeakPolarHBondContact CD1-CD2 2.92Å; I407-H418 VanDerWaalsContact CD1-ND1 3.26Å; I407-H418 WeakPolarHBondContact CD1-ND1 3.21Å; E412-H418 WeakPolarHBondContact O-CB 3.41Å; E412-H418 PolarHBondContact O-N 2.8Å; W413-H418 AromaticContact CZ3-CD2 3.96Å; T414-H418 PolarHBondContact O-N 2.97Å; H418-K420 VanDerWaalsContact C-N 3.31Å; H418-K420 PolarHBondContact O-N 3.49Å; H418-S421 VanDerWaalsContact O-CB 3.22Å; H418-S421 WeakPolarHBondContact O-CB 3.45Å; H418-S421 PolarHBondContact O-N 3.09Å; H418-S421 PolarHBondContact O-OG 2.99Å; H418-H424 AromaticContact CD2-ND1 3.72Å; H418-H424 AromaticContact CE1-ND1 3.71Å; H418-H424 AromaticContact NE2-CE1 3.94Å; H418-H424 AromaticContact NE2-ND1 3.11Å; H418-H424 PolarHBondContact NE2-ND1 3.23Å; H418-H424 VanDerWaalsContact NE2-ND1 3.11Å; H418-H424 VanDerWaalsContact O-CB 3.22Å; H418-H424 WeakPolarHBondContact O-CB 3.27Å
419Q72.8Confident71.8Confident69 Ų6979.6 Ų79.632%0.32240%0.397SS..Iπ-helixtrans-66.5-29.4-168.1-52.6167.7-0.100112.9W413 H424 H425W413-Q419 VanDerWaalsContact CE2-NE2 3.31Å; W413-Q419 WeakPolarHBondContact O-CG 3.41Å; Q419-H424 PolarHBondContact O-CD2 3.4Å; Q419-H425 PolarHBondContact O-CD2 3.13Å; Q419-H425 VanDerWaalsContact O-CD2 3.31Å; Q419-H425 PolarHBondContact O-NE2 3.27Å
420K72.5Confident72.3Confident154 Ų15485.3 Ų85.367%0.6742%0.422SS*.THydrogen-bonded Turntrans-93.56.9171.7-60.4174.1176.4178.20114.4A415 H418 H425A415-K420 HydrophobicContact CB-CD 4.17Å; A415-K420 HydrophobicContact CB-CG 4.15Å; A415-K420 WeakPolarHBondContact O-CB 3.5Å; A415-K420 VanDerWaalsContact O-CD 3.28Å; A415-K420 WeakPolarHBondContact O-CD 3.5Å; A415-K420 WeakPolarHBondContact O-CG 3.4Å; A415-K420 PolarHBondContact O-N 3.27Å; A415-K420 VanDerWaalsContact O-N 3.15Å; H418-K420 VanDerWaalsContact C-N 3.31Å; H418-K420 PolarHBondContact O-N 3.49Å; K420-H425 WeakPolarHBondContact CA-NE2 3.21Å
421S78.3Confident72.8Confident34 Ų3487.6 Ų87.624%0.23843%0.429CS..  trans-67.1142.2-178.6740000110.9H418 K423 H424 H425H418-S421 VanDerWaalsContact O-CB 3.22Å; H418-S421 WeakPolarHBondContact O-CB 3.45Å; H418-S421 PolarHBondContact O-N 3.09Å; H418-S421 PolarHBondContact O-OG 2.99Å; S421-K423 PolarHBondContact O-N 3.31Å; S421-K423 VanDerWaalsContact O-N 3.13Å; S421-H424 PolarHBondContact O-N 3.26Å; S421-H424 WeakPolarHBondContact OG-CB 3.38Å; S421-H424 PolarHBondContact OG-N 2.75Å; S421-H424 VanDerWaalsContact OG-N 3.09Å; S421-H425 PolarHBondContact O-CD2 2.86Å; S421-H425 PolarHBondContact O-N 3.19Å
422K77.8Confident73.2Confident197 Ų19793.8 Ų93.886%0.85745%0.445SS*.Hα-helixtrans-54.1-35.2177.3-68.2-176.9179179.10112.2Y426K422-Y426 WeakPolarHBondContact O-CB 3.3Å; K422-Y426 PolarHBondContact O-N 3.15Å
423K75.5Confident73.3Confident153 Ų15398 Ų9867%0.66546%0.457SS*.Hα-helixtrans-67.5-46.4175.5-71.7-173.9178.3-179.30111.5S421 H425 Y426 H427S421-K423 PolarHBondContact O-N 3.31Å; S421-K423 VanDerWaalsContact O-N 3.13Å; K423-H425 PolarHBondContact O-N 3.01Å; K423-Y426 WeakPolarHBondContact O-CB 3.46Å; K423-Y426 PolarHBondContact O-N 3.46Å; K423-H427 PolarHBondContact O-CD2 2.97Å; K423-H427 PolarHBondContact O-N 2.83Å
424H78.6Confident73.1Confident29 Ų2999 Ų9913%0.13447%0.473CS..Hα-helixtrans-59.6-47.9176.7179.595.1000111.6C400 C403 H418 Q419 S421 Y426 H427 V428C400-H424 PolarHBondContact SG-CE1 2.95Å; C400-H424 PolarHBondContact SG-ND1 3.19Å; C403-H424 VanDerWaalsContact SG-CA 3.55Å; C403-H424 PolarHBondContact SG-ND1 3.22Å; C403-H424 VanDerWaalsContact SG-ND1 3.37Å; H418-H424 AromaticContact CD2-ND1 3.72Å; H418-H424 AromaticContact CE1-ND1 3.71Å; H418-H424 AromaticContact NE2-CE1 3.94Å; H418-H424 AromaticContact NE2-ND1 3.11Å; H418-H424 PolarHBondContact NE2-ND1 3.23Å; H418-H424 VanDerWaalsContact NE2-ND1 3.11Å; H418-H424 VanDerWaalsContact O-CB 3.22Å; H418-H424 WeakPolarHBondContact O-CB 3.27Å; Q419-H424 PolarHBondContact O-CD2 3.4Å; S421-H424 PolarHBondContact O-N 3.26Å; S421-H424 WeakPolarHBondContact OG-CB 3.38Å; S421-H424 PolarHBondContact OG-N 2.75Å; S421-H424 VanDerWaalsContact OG-N 3.09Å; H424-Y426 VanDerWaalsContact C-N 3.3Å; H424-Y426 PolarHBondContact O-N 3.27Å; H424-H427 PolarHBondContact O-N 3.3Å; H424-H427 VanDerWaalsContact O-N 3.15Å; H424-V428 WeakPolarHBondContact NE2-CG2 3.42Å; H424-V428 VanDerWaalsContact O-CG2 3.3Å; H424-V428 WeakPolarHBondContact O-CG2 3.45Å; H424-V428 PolarHBondContact O-N 3.46Å
425H78.2Confident72.4Confident106 Ų106101 Ų10149%0.49148%0.481SS..Hα-helixtrans-59.9-39176.5-78.2-135000112.7Q419 K420 S421 K423 R429Q419-H425 PolarHBondContact O-CD2 3.13Å; Q419-H425 VanDerWaalsContact O-CD2 3.31Å; Q419-H425 PolarHBondContact O-NE2 3.27Å; K420-H425 WeakPolarHBondContact CA-NE2 3.21Å; S421-H425 PolarHBondContact O-CD2 2.86Å; S421-H425 PolarHBondContact O-N 3.19Å; K423-H425 PolarHBondContact O-N 3.01Å; H425-R429 VanDerWaalsContact O-CB 3.24Å; H425-R429 WeakPolarHBondContact O-CB 3.41Å; H425-R429 PolarHBondContact O-N 3.45Å
426Y81.9Confident72.4Confident144 Ų144105.7 Ų105.757%0.56551%0.509SS*.Hα-helixtrans-61.8-47.4173.9173.2-93.6000112K422 K423 H424 R429 K430K422-Y426 WeakPolarHBondContact O-CB 3.3Å; K422-Y426 PolarHBondContact O-N 3.15Å; K423-Y426 WeakPolarHBondContact O-CB 3.46Å; K423-Y426 PolarHBondContact O-N 3.46Å; H424-Y426 VanDerWaalsContact C-N 3.3Å; H424-Y426 PolarHBondContact O-N 3.27Å; Y426-R429 PolarHBondContact O-N 3.33Å; Y426-K430 HydrophobicContact CE1-CD 4.24Å; Y426-K430 WeakPolarHBondContact O-CB 3.35Å; Y426-K430 PolarHBondContact O-N 2.84Å
427H77.6Confident72.3Confident61 Ų61104.6 Ų104.628%0.28251%0.507SS..Hα-helixtrans-67.3-41.8-179.9-78.5-77.3000112.6A402 K423 H424 R429 K430 K431A402-H427 WeakPolarHBondContact O-CB 3.37Å; K423-H427 PolarHBondContact O-CD2 2.97Å; K423-H427 PolarHBondContact O-N 2.83Å; H424-H427 PolarHBondContact O-N 3.3Å; H424-H427 VanDerWaalsContact O-N 3.15Å; H427-R429 VanDerWaalsContact C-N 3.34Å; H427-R429 PolarHBondContact O-N 2.87Å; H427-K430 PolarHBondContact O-N 3.34Å; H427-K431 WeakPolarHBondContact O-CB 3.48Å; H427-K431 PolarHBondContact O-N 3.01Å
428V79.3Confident71Confident33 Ų33106.8 Ų106.820%0.252%0.52CS..Hα-helixtrans-58.3-46.9172.1172.60000110.6A402 H424 K430 K431 R432A402-V428 HydrophobicContact CB-CB 4.45Å; A402-V428 HydrophobicContact CB-CG2 3.46Å; A402-V428 VanDerWaalsContact CB-CG2 3.46Å; H424-V428 WeakPolarHBondContact NE2-CG2 3.42Å; H424-V428 VanDerWaalsContact O-CG2 3.3Å; H424-V428 WeakPolarHBondContact O-CG2 3.45Å; H424-V428 PolarHBondContact O-N 3.46Å; V428-K430 VanDerWaalsContact C-N 3.33Å; V428-K430 PolarHBondContact O-N 2.96Å; V428-K431 PolarHBondContact O-N 3.37Å; V428-R432 WeakPolarHBondContact O-CB 3.24Å; V428-R432 WeakPolarHBondContact O-CG 3.34Å; V428-R432 PolarHBondContact O-N 2.72Å
429R77.4Confident69.1Low156 Ų156113.4 Ų113.459%0.58956%0.556SS**Hα-helixtrans-65.8-35.3178.4-169.8177.2-176.4-177.82.3112.3H425 Y426 H427 R433H425-R429 VanDerWaalsContact O-CB 3.24Å; H425-R429 WeakPolarHBondContact O-CB 3.41Å; H425-R429 PolarHBondContact O-N 3.45Å; Y426-R429 PolarHBondContact O-N 3.33Å; H427-R429 VanDerWaalsContact C-N 3.34Å; H427-R429 PolarHBondContact O-N 2.87Å; R429-R433 WeakPolarHBondContact O-CG 3.4Å; R429-R433 PolarHBondContact O-N 3.23Å
430K79Confident67.6Low121 Ų121115.8 Ų115.853%0.52658%0.577SS.*Hα-helixtrans-67.4-45.5175.5-174178.7176.9-178.50111.1Y426 H427 V428 R433 S434Y426-K430 HydrophobicContact CE1-CD 4.24Å; Y426-K430 WeakPolarHBondContact O-CB 3.35Å; Y426-K430 PolarHBondContact O-N 2.84Å; H427-K430 PolarHBondContact O-N 3.34Å; V428-K430 VanDerWaalsContact C-N 3.33Å; V428-K430 PolarHBondContact O-N 2.96Å; K430-R433 WeakPolarHBondContact O-CB 3.36Å; K430-R433 PolarHBondContact O-N 3.19Å; K430-R433 VanDerWaalsContact O-N 3.12Å; K430-S434 PolarHBondContact O-N 3.12Å; K430-S434 PolarHBondContact O-OG 3.22Å
431K75.6Confident65.9Low100 Ų100116.7 Ų116.744%0.43559%0.588SS.*Hα-helixtrans-64.7-42.6179-152.5172.5-173.7-178.30111.6D401 H427 V428 R433 S434 D435D401-K431 PolarHBondContact O-NZ 2.97Å; H427-K431 WeakPolarHBondContact O-CB 3.48Å; H427-K431 PolarHBondContact O-N 3.01Å; V428-K431 PolarHBondContact O-N 3.37Å; K431-R433 PolarHBondContact O-N 3.26Å; K431-S434 WeakPolarHBondContact CA-OG 3.47Å; K431-S434 PolarHBondContact O-N 2.97Å; K431-S434 PolarHBondContact O-OG 3.23Å; K431-D435 PolarHBondContact O-N 3Å
432R73.3Confident63.9Low198 Ų198124.6 Ų124.675%0.74762%0.621SS**Hα-helixtrans-60.5-25.5171.5-74.1-178.8-179.9-173.9-0.3114.6V428V428-R432 WeakPolarHBondContact O-CB 3.24Å; V428-R432 WeakPolarHBondContact O-CG 3.34Å; V428-R432 PolarHBondContact O-N 2.72Å
433R68.9Low61.4Low182 Ų182118.5 Ų118.569%0.68762%0.615SS**Hα-helixtrans-85.5-16.8175.1-76.5174.6171.3-175.1-5.3113.1R429 K430 K431R429-R433 WeakPolarHBondContact O-CG 3.4Å; R429-R433 PolarHBondContact O-N 3.23Å; K430-R433 WeakPolarHBondContact O-CB 3.36Å; K430-R433 PolarHBondContact O-N 3.19Å; K430-R433 VanDerWaalsContact O-N 3.12Å; K431-R433 PolarHBondContact O-N 3.26Å
434S63.4Low59.1Low81 Ų81118.1 Ų118.157%0.56663%0.625SS**Hα-helixtrans-99.7-24.6-179.217.70000112.9K430 K431K430-S434 PolarHBondContact O-N 3.12Å; K430-S434 PolarHBondContact O-OG 3.22Å; K431-S434 WeakPolarHBondContact CA-OG 3.47Å; K431-S434 PolarHBondContact O-N 2.97Å; K431-S434 PolarHBondContact O-OG 3.23Å
435D56.3Low56.7Low100 Ų100121.9 Ų121.954%0.53566%0.662SS.*  trans-116.8100170.3-90.4-38.2000110.9K431 G437K431-D435 PolarHBondContact O-N 3Å; D435-G437 PolarHBondContact O-N 3.21Å
436P54.2Low54.3Low134 Ų134121.3 Ų121.387%0.8768%0.675SS**THydrogen-bonded Turntrans-74.13.3174.6-14.329.3000114.6
437G52.7Low51.7Low74 Ų74123.7 Ų123.776%0.76369%0.691SS**THydrogen-bonded Turntrans-120.713.4-161.300000118.2D435D435-G437 PolarHBondContact O-N 3.21Å
438S40.6Very low49.3Very low97 Ų97125.7 Ų125.768%0.67872%0.719SS**  trans-121.187.9175.8520000112.5
439D37.8Very low46.7Very low159 Ų159133 Ų13385%0.8575%0.751SS**PPolyproline II helixtrans-78.1135161.2-103.7-25.4000109.8
440P41.4Very low44.4Very low118 Ų118133.4 Ų133.477%0.76676%0.759SS**PPolyproline II helixtrans-81.8126.6163.36.510.9000109.8
441L35.9Very low41.9Very low174 Ų174134.7 Ų134.791%0.91177%0.771SS**PPolyproline II helixtrans-53.4146.5168.6-77.5160.8000112.4
442Q35.9Very low39.5Very low199 Ų199137.6 Ų137.693%0.9379%0.791SS**PPolyproline II helixtrans-60156.6-174-68.3168.4-27.200116.6
443G27.1Very low37.2Very low70 Ų70130.6 Ų130.672%0.72278%0.781SS**  trans163.1115.5152.900000108.6
444T27.2Very low35.2Very low144 Ų144128.5 Ų128.588%0.88379%0.788SS**  cis-155.8129.32439.60000108.6
445A26.8Very low33.5Very low109 Ų109132.9 Ų132.990%0.90180%0.8SS**  trans-92.3124.5162.300000108.3
446A27.2Very low31.9Very low93 Ų93134.1 Ų134.177%0.76981%0.811SS**  trans-130.898.4164.400000108.2
447Q29.1Very low31.5Very low194 Ų194133 Ų13391%0.90780%0.804SS**  trans40.3116.8140.9-63.3176.9-5.200119.9
448A25.4Very low30.2Very low104 Ų104138.5 Ų138.586%0.8681%0.81SS**  trans-165.297.7134.700000110.1
449E26.5Very low29.5Very low187 Ų187140.9 Ų140.987%0.87482%0.815SS**  trans-101.6145.3141.5-71.7-177.2150.600104.2
450E27.3Very low29Very low164 Ų164138 Ų13877%0.76681%0.807SS**  cis-173.717044.7-152.5178.8-149.800109.4
451L26.9Very low28.3Very low148 Ų148137.3 Ų137.378%0.77581%0.805SS**  trans99.4101.3154.9-60.9164.7000120.8
452D25.3Very low27.9Very low161 Ų161137.6 Ų137.686%0.86180%0.799SS**  122.3130.9112.4-148.514.8000116.3
453G26.2Very low27.5Very low51 Ų51137 Ų13753%0.52679%0.793SS.*  trans-102.7158.9-178.100000112.2
454T26Very low27.4Very low137 Ų137138.5 Ų138.584%0.8479%0.793SS**  trans-174.2115.7145.116.80000110.8
455E26.8Very low27.3Very low173 Ų173142.8 Ų142.881%0.80879%0.793SS**  trans33.3109.8134.6-63.9-173.2155.100121.9
456T24.1Very low27.3Very low126 Ų126142.5 Ų142.577%0.77378%0.78SS**  42.6169.1121.452.10000123.1
457P44.5Very low27.4Very low111 Ų111145.7 Ų145.772%0.72178%0.779SS**  cis-140175.5-35.535.7-17.3000113.7
458Q26.3Very low27.2Very low189 Ų189144 Ų14488%0.88377%0.771SS**  trans174.297.9140.7-99.21735.100107.9
459D26.5Very low27.3Very low148 Ų148147.7 Ų147.779%0.79177%0.768SS**  56.1107.586.1-155.717.3000114.6
460S26.1Very low27.3Very low98 Ų98148.5 Ų148.569%0.68576%0.764SS**  169113111.748.30000113.2
461S26.4Very low27.3Very low103 Ų103147.8 Ų147.872%0.7277%0.765SS**  trans70.3147.9134.3920000118.6
462K27.7Very low27.5Very low181 Ų181151.7 Ų151.779%0.78779%0.786SS**  cis-174.1153.8-4.9-122.4172.9-174.7168.40106.6
463K29Very low27.6Very low185 Ų185151.2 Ų151.280%0.80478%0.783SS**  trans77.5107.9158.8-62.4170.8178.5-175.90116.2
464S24.6Very low27.7Very low102 Ų102156.5 Ų156.571%0.71380%0.796SS**  cis72.9118.239.989.80000116
465R25.2Very low27.8Very low234 Ų234157.6 Ų157.688%0.88379%0.794SS**  trans64.3143.9151.7-89.3172.9159.1169.6-6.9115.6
466T27.1Very low27.8Very low103 Ų103156.6 Ų156.663%0.63279%0.793SS**  cis-169.5154.341.8-24.10000110
467E27.3Very low28Very low160 Ų160158.6 Ų158.675%0.74879%0.794SS**  trans27.3125.4137.4-70.2167.9158.200120.8
468Q26Very low26.9Very low160 Ų160161.7 Ų161.775%0.74880%0.799SS**  95.4136.673.2-148.8167.19.700113.5
469K26.9Very low27Very low180 Ų180159.8 Ų159.878%0.78379%0.793SS**  trans101.4116.5157.7-65.8-172.7175.2173.70120.6
470Y26.5Very low27Very low205 Ų205160.7 Ų160.780%0.80479%0.793SS**  49.9134.8122-82-90.8000122.9
471L27.8Very low27.1Very low149 Ų149165.9 Ų165.978%0.7880%0.802SS**  trans70.3134.5154.2-65149000115
472D30.8Very low27.2Very low229 Ų229171.6 Ų171.6100%1.22581%0.81SS**  cis-124.7027.4-73.8-47.5000114.9

Retrieved 472 of 472 residues in 848.2 ms (Link to these results)

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