A0A077YWG4_TRITR Loading...

Serine/threonine-protein phosphatase

AlphaFold DB , UniProt , Accession A0A077YWG4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 336 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
1M43.1Very low40.7Very low247 Ų247154.9 Ų154.9100%1.21788%0.879SS**  0111.10-70.1-133.9-76.300106.4
2A40.6Very low40Very low108 Ų108151.3 Ų151.389%0.89386%0.863SS**  trans-86.8150-17100000110.6
3G43.4Very low39.1Very low78 Ų78155.2 Ų155.280%0.80487%0.869SS**  trans-156.681.4169.400000107.8
4D44Very low38.8Very low167 Ų167150.5 Ų150.589%0.89386%0.86SS**PPolyproline II helixtrans-66.9125.5169.2-96-28.6000109.3
5E46Very low38.3Very low184 Ų184151.5 Ų151.586%0.8686%0.862SS**PPolyproline II helixtrans-86.2133.1162.7-102.1-175.6165.300109.4
6P42.7Very low38.8Very low120 Ų120147 Ų14778%0.77984%0.842SS**PPolyproline II helixtrans-77.3129.5-17530.7-31.8000111.2R8P6-R8 PolarHBondContact O-N 3.3Å
7T41.4Very low40Very low139 Ų139145.8 Ų145.885%0.85383%0.827SS**PPolyproline II helixtrans-56.7121.8168.234.50000111.2T9T7-T9 PolarHBondContact O-N 2.75Å
8R39.5Very low41.9Very low246 Ų246147.1 Ų147.193%0.92883%0.825SS**  trans-72.6110.6166.8-88.7-177.9172.5-176-1.7109.7P6P6-R8 PolarHBondContact O-N 3.3Å
9T35.9Very low44.1Very low129 Ų129140.8 Ų140.879%0.79179%0.789SS**  trans-61.8134.8160.116.40000110.7T7T7-T9 PolarHBondContact O-N 2.75Å
10P34.1Very low46.4Very low124 Ų124136.5 Ų136.581%0.80577%0.769SS**  trans-66.4132.4167.3-14.228.6000110.2T12P10-T12 PolarHBondContact O-N 3.29Å
11L36.6Very low48.6Very low162 Ų162136.2 Ų136.285%0.84876%0.761SS**  trans-63.5109.7171.2-78.7152.7000109.8
12T32.9Very low50.9Low112 Ų112132.9 Ų132.969%0.68774%0.74SS**  trans42.9114.2133.558.10000118.4P10 A14P10-T12 PolarHBondContact O-N 3.29Å; T12-A14 PolarHBondContact O-N 2.91Å
13E28.1Very low53.4Low202 Ų202131.1 Ų131.194%0.94471%0.713SS**  trans-32.9104.1149-64.5171.3156.200111.3
14A34.5Very low55.8Low89 Ų89128.7 Ų128.774%0.73668%0.681SS**  trans-89.2125.216900000108.2T12 S16T12-A14 PolarHBondContact O-N 2.91Å; A14-S16 PolarHBondContact O-N 3.03Å
15N31.6Very low58.3Low166 Ų166123.8 Ų123.889%0.88866%0.66SS**  trans-44.1100.6177-78.7-37.3000112.4H17N15-H17 PolarHBondContact O-N 3.18Å
16S46.5Very low60.7Low79 Ų79118.9 Ų118.955%0.55264%0.639SS**  trans-71116.6157.557.50000107A14 Q18A14-S16 PolarHBondContact O-N 3.03Å; S16-Q18 PolarHBondContact O-N 2.94Å
17H59.3Low63.4Low126 Ų126113.3 Ų113.358%0.58360%0.603SS**  trans-68.483.8172.6-163.173000107.9N15 M19 D56N15-H17 PolarHBondContact O-N 3.18Å; H17-M19 PolarHBondContact O-N 2.81Å; H17-D56 IonicContact NE2-OD1 2.77Å
18Q73.3Confident66Low170 Ų170112.2 Ų112.279%0.79458%0.583SS**  trans-74.9111178-75-172.1-7.400109.1S16S16-Q18 PolarHBondContact O-N 2.94Å
19M85.1Confident68.8Low27 Ų27104.2 Ų104.213%0.13356%0.562CS.*  trans-59.3138.8173-60.2-173.774.200110.2H17 Q23 L24 I27 D56 L127H17-M19 PolarHBondContact O-N 2.81Å; M19-Q23 HydrophobicContact CB-CB 4.43Å; M19-Q23 HydrophobicContact CE-CB 3.86Å; M19-L24 HydrophobicContact CB-CD2 4.04Å; M19-L24 HydrophobicContact CB-CG 4.15Å; M19-L24 HydrophobicContact SD-CD2 4.12Å; M19-I27 HydrophobicContact CE-CD1 3.32Å; M19-I27 HydrophobicContact SD-CD1 4.09Å; M19-D56 HydrophobicContact CE-CB 4.21Å; M19-D56 WeakPolarHBondContact CE-OD2 3.33Å; M19-L127 HydrophobicContact CE-CD1 4.32Å; M19-L127 HydrophobicContact SD-CB 4.03Å; M19-L127 HydrophobicContact SD-CD1 4.24Å; M19-L127 HydrophobicContact SD-CD2 3.9Å; M19-L127 HydrophobicContact SD-CG 4.28Å
20S90.2Very high71.8Confident55 Ų5598.6 Ų98.639%0.38553%0.527SS..  trans-65.8151.1175.865.90000111.7K22 Q23 L24S20-K22 PolarHBondContact O-N 2.99Å; S20-K22 VanDerWaalsContact O-N 3.07Å; S20-Q23 WeakPolarHBondContact O-CA 3.4Å; S20-Q23 WeakPolarHBondContact O-CB 2.98Å; S20-Q23 PolarHBondContact O-N 3.37Å; S20-Q23 WeakPolarHBondContact OG-CG 3.35Å; S20-Q23 PolarHBondContact OG-N 3.33Å; S20-Q23 PolarHBondContact OG-OE1 3.08Å; S20-L24 PolarHBondContact O-N 3.07Å
21E91.7Very high74.8Confident131 Ų13193.2 Ų93.261%0.61249%0.492SS*.Hα-helixtrans-55.2-29.9174.1-80.2-57.614500113.1L24 S25 R28E21-L24 PolarHBondContact O-N 3.38Å; E21-S25 VanDerWaalsContact O-CB 3.23Å; E21-S25 WeakPolarHBondContact O-CB 3.19Å; E21-S25 PolarHBondContact O-N 3.09Å; E21-R28 IonicContact OE2-NH1 3.56Å
22K92.2Very high77.7Confident177 Ų17787.1 Ų87.177%0.7747%0.468SS*.Hα-helixtrans-65.4-43.4174.2-172.7-179.1177.9-175.80111.7S20 L26S20-K22 PolarHBondContact O-N 2.99Å; S20-K22 VanDerWaalsContact O-N 3.07Å; K22-L26 PolarHBondContact O-N 3.38Å; K22-L26 VanDerWaalsContact O-N 3.09Å
23Q92.6Very high80.8Confident70 Ų7088.2 Ų88.233%0.32746%0.46SS..Hα-helixtrans-65-46174.9-74.2163.1-73.200110.7M19 S20 S25 L26 I27M19-Q23 HydrophobicContact CB-CB 4.43Å; M19-Q23 HydrophobicContact CE-CB 3.86Å; S20-Q23 WeakPolarHBondContact O-CA 3.4Å; S20-Q23 WeakPolarHBondContact O-CB 2.98Å; S20-Q23 PolarHBondContact O-N 3.37Å; S20-Q23 WeakPolarHBondContact OG-CG 3.35Å; S20-Q23 PolarHBondContact OG-N 3.33Å; S20-Q23 PolarHBondContact OG-OE1 3.08Å; Q23-S25 VanDerWaalsContact C-N 3.33Å; Q23-S25 PolarHBondContact O-N 2.69Å; Q23-L26 WeakPolarHBondContact O-CB 3.42Å; Q23-L26 PolarHBondContact O-N 3.3Å; Q23-I27 WeakPolarHBondContact O-CG1 3.3Å; Q23-I27 PolarHBondContact O-N 3.25Å
24L94.6Very high84.1Confident27 Ų2778.6 Ų78.614%0.14142%0.415CS..Hα-helixtrans-61.2-40.9177.8-65176000112.1M19 S20 E21 I27 R28 L128M19-L24 HydrophobicContact CB-CD2 4.04Å; M19-L24 HydrophobicContact CB-CG 4.15Å; M19-L24 HydrophobicContact SD-CD2 4.12Å; S20-L24 PolarHBondContact O-N 3.07Å; E21-L24 PolarHBondContact O-N 3.38Å; L24-I27 PolarHBondContact O-N 3.44Å; L24-R28 VanDerWaalsContact O-CG 3.31Å; L24-R28 WeakPolarHBondContact O-CG 3.3Å; L24-R28 PolarHBondContact O-N 3.33Å; L24-L128 HydrophobicContact CD2-CD2 4.12Å
25S96.1Very high87Confident64 Ų6477 Ų7745%0.44839%0.393SS..Hα-helixtrans-61.9-42.5175-1760000112.5E21 Q23 R28 T29E21-S25 VanDerWaalsContact O-CB 3.23Å; E21-S25 WeakPolarHBondContact O-CB 3.19Å; E21-S25 PolarHBondContact O-N 3.09Å; Q23-S25 VanDerWaalsContact C-N 3.33Å; Q23-S25 PolarHBondContact O-N 2.69Å; S25-R28 PolarHBondContact O-N 3.3Å; S25-T29 PolarHBondContact O-N 3.11Å; S25-T29 PolarHBondContact O-OG1 3.26Å
26L96.6Very high90.1Very high81 Ų8176.9 Ų76.942%0.42439%0.385SS..Hα-helixtrans-62.1-46.5174.2177.861.8000111.1K22 Q23 R28 T29 I30 F49K22-L26 PolarHBondContact O-N 3.38Å; K22-L26 VanDerWaalsContact O-N 3.09Å; Q23-L26 WeakPolarHBondContact O-CB 3.42Å; Q23-L26 PolarHBondContact O-N 3.3Å; L26-R28 PolarHBondContact O-N 3.41Å; L26-T29 WeakPolarHBondContact O-CB 3.43Å; L26-T29 PolarHBondContact O-N 3.04Å; L26-T29 VanDerWaalsContact O-N 3.15Å; L26-I30 HydrophobicContact CD1-CG1 4.21Å; L26-I30 WeakPolarHBondContact O-CG1 3.31Å; L26-I30 PolarHBondContact O-N 2.91Å; L26-F49 HydrophobicContact CD2-CD2 4.08Å; L26-F49 HydrophobicContact CD2-CE2 3.85Å; L26-F49 HydrophobicContact CG-CE2 3.98Å
27I97.7Very high92.4Very high4 Ų473.4 Ų73.42%0.02136%0.36CS..Hα-helixtrans-58.9-48.7177.5-70.8176.3000110.8M19 Q23 L24 T29 I30 V31 F49 L124 L127 L128M19-I27 HydrophobicContact CE-CD1 3.32Å; M19-I27 HydrophobicContact SD-CD1 4.09Å; Q23-I27 WeakPolarHBondContact O-CG1 3.3Å; Q23-I27 PolarHBondContact O-N 3.25Å; L24-I27 PolarHBondContact O-N 3.44Å; I27-T29 PolarHBondContact O-N 3.04Å; I27-I30 PolarHBondContact O-N 3.01Å; I27-I30 VanDerWaalsContact O-N 3.12Å; I27-V31 HydrophobicContact CG2-CG2 4.21Å; I27-V31 WeakPolarHBondContact O-CG2 3.47Å; I27-V31 PolarHBondContact O-N 3.43Å; I27-F49 HydrophobicContact CG1-CZ 4.37Å; I27-L124 HydrophobicContact CB-CD2 4.31Å; I27-L124 HydrophobicContact CD1-CD2 4.35Å; I27-L124 HydrophobicContact CG1-CD2 3.89Å; I27-L124 HydrophobicContact CG2-CB 4.03Å; I27-L124 HydrophobicContact CG2-CD2 3.76Å; I27-L124 HydrophobicContact CG2-CG 4.47Å; I27-L127 HydrophobicContact CD1-CB 4.16Å; I27-L127 HydrophobicContact CD1-CD1 3.89Å; I27-L128 HydrophobicContact CB-CD2 4.12Å; I27-L128 HydrophobicContact CG2-CD1 3.81Å; I27-L128 HydrophobicContact CG2-CD2 3.64Å; I27-L128 HydrophobicContact CG2-CG 3.5Å; I27-L128 VanDerWaalsContact CG2-CG 3.5Å
28R97.7Very high94Very high115 Ų11574.7 Ų74.743%0.43436%0.364SS..Hα-helixtrans-56-40.9175.8-69.9173.3-169.7122.10.1111.9E21 L24 S25 L26 G32 L128E21-R28 IonicContact OE2-NH1 3.56Å; L24-R28 VanDerWaalsContact O-CG 3.31Å; L24-R28 WeakPolarHBondContact O-CG 3.3Å; L24-R28 PolarHBondContact O-N 3.33Å; S25-R28 PolarHBondContact O-N 3.3Å; L26-R28 PolarHBondContact O-N 3.41Å; R28-G32 PolarHBondContact O-N 3.23Å; R28-L128 HydrophobicContact CG-CD1 4.01Å; R28-L128 HydrophobicContact CG-CD2 3.73Å
29T97.8Very high94.9Very high78 Ų7873.3 Ų73.348%0.47935%0.352SS..Hα-helixtrans-64.2-45.7176.7-58.30000111.9S25 L26 I27 G32 R33S25-T29 PolarHBondContact O-N 3.11Å; S25-T29 PolarHBondContact O-OG1 3.26Å; L26-T29 WeakPolarHBondContact O-CB 3.43Å; L26-T29 PolarHBondContact O-N 3.04Å; L26-T29 VanDerWaalsContact O-N 3.15Å; I27-T29 PolarHBondContact O-N 3.04Å; T29-G32 PolarHBondContact O-N 3.18Å; T29-R33 WeakPolarHBondContact O-CG 3.48Å; T29-R33 PolarHBondContact O-N 3.09Å; T29-R33 VanDerWaalsContact O-N 3.15Å
30I98Very high94.9Very high11 Ų1175.8 Ų75.86%0.05636%0.362CS..Hα-helixtrans-67.4-42.5179.1-64-63.6000111.2L26 I27 G32 R33 L34 P44 L45 F49 L124L26-I30 HydrophobicContact CD1-CG1 4.21Å; L26-I30 WeakPolarHBondContact O-CG1 3.31Å; L26-I30 PolarHBondContact O-N 2.91Å; I27-I30 PolarHBondContact O-N 3.01Å; I27-I30 VanDerWaalsContact O-N 3.12Å; I30-G32 VanDerWaalsContact C-N 3.34Å; I30-G32 PolarHBondContact O-N 2.85Å; I30-R33 CarbonylContact O-C 3.58Å; I30-R33 WeakPolarHBondContact O-CB 3.23Å; I30-R33 PolarHBondContact O-N 2.92Å; I30-R33 VanDerWaalsContact O-N 3.08Å; I30-L34 HydrophobicContact CG2-CD1 4.03Å; I30-L34 HydrophobicContact CG2-CG 4.25Å; I30-L34 PolarHBondContact O-N 3.45Å; I30-P44 HydrophobicContact CD1-CB 4.21Å; I30-P44 HydrophobicContact CG2-CG 4.06Å; I30-L45 HydrophobicContact CG2-CD2 4.18Å; I30-F49 HydrophobicContact CB-CE1 4.11Å; I30-F49 HydrophobicContact CB-CZ 4.04Å; I30-F49 HydrophobicContact CG1-CE1 3.99Å; I30-F49 HydrophobicContact CG1-CE2 4.24Å; I30-F49 HydrophobicContact CG1-CZ 3.78Å; I30-F49 HydrophobicContact CG2-CD1 4.46Å; I30-F49 HydrophobicContact CG2-CE1 3.68Å; I30-F49 HydrophobicContact CG2-CZ 4.14Å; I30-L124 HydrophobicContact CG2-CD1 3.97Å
31V98Very high94.9Very high12 Ų1280.7 Ų80.77%0.07338%0.379CS..Hα-helixtrans-56.2-48.6173169.40000110.5I27 R33 L34 I35 L121 L124 L125 L128I27-V31 HydrophobicContact CG2-CG2 4.21Å; I27-V31 WeakPolarHBondContact O-CG2 3.47Å; I27-V31 PolarHBondContact O-N 3.43Å; V31-R33 PolarHBondContact O-N 3.48Å; V31-L34 PolarHBondContact O-N 3.06Å; V31-L34 VanDerWaalsContact O-N 3.16Å; V31-I35 HydrophobicContact CG1-CD1 3.85Å; V31-I35 HydrophobicContact CG1-CG1 4.38Å; V31-I35 VanDerWaalsContact O-CG1 3.24Å; V31-I35 WeakPolarHBondContact O-CG1 3.28Å; V31-I35 PolarHBondContact O-N 3.39Å; V31-L121 HydrophobicContact CG1-CD1 4.07Å; V31-L121 HydrophobicContact CG2-CD1 4.46Å; V31-L124 HydrophobicContact CG2-CB 3.69Å; V31-L124 HydrophobicContact CG2-CD1 4.18Å; V31-L125 HydrophobicContact CG1-CD2 4.16Å; V31-L128 HydrophobicContact CG2-CD1 4.15Å
32G97.5Very high95Very high33 Ų3377.9 Ų77.934%0.3437%0.365SS..Hα-helixtrans-60.9-25.8177.400000114.5R28 T29 I30R28-G32 PolarHBondContact O-N 3.23Å; T29-G32 PolarHBondContact O-N 3.18Å; I30-G32 VanDerWaalsContact C-N 3.34Å; I30-G32 PolarHBondContact O-N 2.85Å
33R97.8Very high95.1Very high136 Ų13670.8 Ų70.851%0.51334%0.338SS..Hα-helixtrans-81.8-44.7172.5-69.7176.267-167-2.5111.9T29 I30 V31 I35 K36 P44T29-R33 WeakPolarHBondContact O-CG 3.48Å; T29-R33 PolarHBondContact O-N 3.09Å; T29-R33 VanDerWaalsContact O-N 3.15Å; I30-R33 CarbonylContact O-C 3.58Å; I30-R33 WeakPolarHBondContact O-CB 3.23Å; I30-R33 PolarHBondContact O-N 2.92Å; I30-R33 VanDerWaalsContact O-N 3.08Å; V31-R33 PolarHBondContact O-N 3.48Å; R33-I35 VanDerWaalsContact C-N 3.3Å; R33-I35 PolarHBondContact O-N 2.91Å; R33-K36 WeakPolarHBondContact O-CB 3.48Å; R33-K36 PolarHBondContact O-N 3.02Å; R33-P44 HydrophobicContact CB-CB 3.98Å; R33-P44 HydrophobicContact CB-CG 3.91Å; R33-P44 VanDerWaalsContact CZ-CB 3.44Å
34L97.5Very high95.2Very high0 Ų068.3 Ų68.30%033%0.328CS..Hα-helixtrans-54.7-46.4176.6-83171.6000110.9I30 V31 K36 V37 P44 L45 Y84 E117 L121 L124I30-L34 HydrophobicContact CG2-CD1 4.03Å; I30-L34 HydrophobicContact CG2-CG 4.25Å; I30-L34 PolarHBondContact O-N 3.45Å; V31-L34 PolarHBondContact O-N 3.06Å; V31-L34 VanDerWaalsContact O-N 3.16Å; L34-K36 PolarHBondContact O-N 3.12Å; L34-V37 HydrophobicContact CD2-CG2 4.46Å; L34-V37 VanDerWaalsContact O-CB 3.28Å; L34-V37 WeakPolarHBondContact O-CB 3.44Å; L34-V37 WeakPolarHBondContact O-CG2 3.36Å; L34-V37 PolarHBondContact O-N 2.91Å; L34-P44 HydrophobicContact CD2-CG 3.91Å; L34-P44 HydrophobicContact CG-CG 3.79Å; L34-L45 HydrophobicContact CD1-CD2 4.26Å; L34-L45 HydrophobicContact CD2-CD1 4.11Å; L34-L45 HydrophobicContact CD2-CD2 4.41Å; L34-L45 HydrophobicContact CD2-CG 4.09Å; L34-Y84 WeakPolarHBondContact CB-OH 3.14Å; L34-Y84 PolarHBondContact O-OH 3.29Å; L34-E117 HydrophobicContact CD2-CG 4.23Å; L34-L121 HydrophobicContact CB-CD1 4.46Å; L34-L121 HydrophobicContact CD1-CB 4.44Å; L34-L121 HydrophobicContact CD1-CD1 4.49Å; L34-L124 HydrophobicContact CD1-CD1 3.48Å; L34-L124 VanDerWaalsContact CD1-CD1 3.48Å
35I96.3Very high95.3Very high56 Ų5668.2 Ų68.229%0.28733%0.327SS..THydrogen-bonded Turntrans-54-25.6179.5-67.4169.4000112.7V31 R33 I88 W96V31-I35 HydrophobicContact CG1-CD1 3.85Å; V31-I35 HydrophobicContact CG1-CG1 4.38Å; V31-I35 VanDerWaalsContact O-CG1 3.24Å; V31-I35 WeakPolarHBondContact O-CG1 3.28Å; V31-I35 PolarHBondContact O-N 3.39Å; R33-I35 VanDerWaalsContact C-N 3.3Å; R33-I35 PolarHBondContact O-N 2.91Å; I35-I88 HydrophobicContact CG1-CD1 4.42Å; I35-W96 HydrophobicContact CB-CH2 4.46Å; I35-W96 HydrophobicContact CD1-CD2 4.47Å; I35-W96 HydrophobicContact CD1-CE3 4.16Å; I35-W96 HydrophobicContact CD1-CH2 3.67Å; I35-W96 HydrophobicContact CD1-CZ2 3.97Å; I35-W96 HydrophobicContact CD1-CZ3 3.75Å; I35-W96 HydrophobicContact CG1-CH2 3.49Å; I35-W96 VanDerWaalsContact CG1-CH2 3.49Å; I35-W96 HydrophobicContact CG1-CZ2 4.01Å; I35-W96 HydrophobicContact CG1-CZ3 3.92Å; I35-W96 HydrophobicContact CG2-CH2 4.24Å; I35-W96 HydrophobicContact CG2-CZ2 3.97Å
36K95.3Very high95.2Very high163 Ų16368.1 Ų68.171%0.70933%0.327SS*.THydrogen-bonded Turntrans-94-7.1-178.4-59.6177.4-176.2178.90113.9R33 L34 K38R33-K36 WeakPolarHBondContact O-CB 3.48Å; R33-K36 PolarHBondContact O-N 3.02Å; L34-K36 PolarHBondContact O-N 3.12Å; K36-K38 PolarHBondContact O-N 2.94Å
37V95.2Very high95.1Very high6 Ų665.9 Ų65.94%0.03632%0.315CS..  trans-63.7124.1-179.3171.40000109.5L34 R39 Y84 F114 E117L34-V37 HydrophobicContact CD2-CG2 4.46Å; L34-V37 VanDerWaalsContact O-CB 3.28Å; L34-V37 WeakPolarHBondContact O-CB 3.44Å; L34-V37 WeakPolarHBondContact O-CG2 3.36Å; L34-V37 PolarHBondContact O-N 2.91Å; V37-R39 WeakPolarHBondContact CG1-O 3.45Å; V37-Y84 HydrophobicContact CB-CE1 4.07Å; V37-Y84 HydrophobicContact CG1-CE1 4.44Å; V37-F114 HydrophobicContact CG1-CE1 4.43Å; V37-E117 HydrophobicContact CG1-CG 4.35Å
38K92.1Very high95Very high153 Ų15371.5 Ų71.567%0.66534%0.344SS*.  trans-113.6-25.5173.1-63.9-175.2-179.7-176.20112.5K36 E42 M85K36-K38 PolarHBondContact O-N 2.94Å; K38-E42 PolarHBondContact N-OE2 2.57Å; K38-M85 WeakPolarHBondContact O-CE 3.48Å
39R92Very high95Very high141 Ų14166.8 Ų66.853%0.53233%0.327SS..SBendtrans-130.8148.6177-53.4-173.3-62.5-77-10.3110V37 E41 E42V37-R39 WeakPolarHBondContact CG1-O 3.45Å; R39-E41 VanDerWaalsContact CB-OE2 3.24Å; R39-E41 WeakPolarHBondContact CB-OE2 3.47Å; R39-E41 PolarHBondContact O-N 2.96Å; R39-E41 VanDerWaalsContact O-N 3.14Å; R39-E42 HydrophobicContact CB-CG 4.35Å; R39-E42 IonicContact CZ-OE1 3.54Å; R39-E42 PolarHBondContact N-OE2 3.48Å; R39-E42 IonicContact NE-OE1 3.45Å; R39-E42 IonicContact NH1-OE1 3.13Å; R39-E42 PolarHBondContact NH1-OE1 3.07Å; R39-E42 IonicContact NH2-OE1 3.61Å; R39-E42 PolarHBondContact NH2-OE1 2.89Å; R39-E42 WeakPolarHBondContact O-CB 3.21Å; R39-E42 PolarHBondContact O-N 3Å
40K87.1Confident95Very high79 Ų7963.1 Ų63.134%0.34330%0.304SS..G310 helixtrans-56.4-34.1-175.5-66.5-173.4177.4-166.10113.3E42 S43 E113 F114K40-E42 PolarHBondContact O-N 2.98Å; K40-S43 WeakPolarHBondContact O-CB 3.06Å; K40-S43 PolarHBondContact O-N 3.34Å; K40-S43 VanDerWaalsContact O-N 3.08Å; K40-E113 WeakPolarHBondContact CE-O 3.41Å; K40-E113 PolarHBondContact NZ-O 3.05Å; K40-F114 HydrophobicContact CB-CE1 4.47Å; K40-F114 HydrophobicContact CG-CD1 3.92Å; K40-F114 HydrophobicContact CG-CE1 3.64Å; K40-F114 HydrophobicContact CG-CZ 4.13Å
41E89.8Confident94.9Very high158 Ų15864.7 Ų64.774%0.73831%0.313SS*.G310 helixtrans-68.4-15.4-178.8-51.973.4-151.400112.7R39 S43R39-E41 VanDerWaalsContact CB-OE2 3.24Å; R39-E41 WeakPolarHBondContact CB-OE2 3.47Å; R39-E41 PolarHBondContact O-N 2.96Å; R39-E41 VanDerWaalsContact O-N 3.14Å; E41-S43 VanDerWaalsContact C-N 3.3Å
42E92.8Very high94.8Very high71 Ų7168.9 Ų68.933%0.33233%0.331SS..G310 helixtrans-85.9-4.7176.9-56.7176.2157.300112.5K38 R39 K40K38-E42 PolarHBondContact N-OE2 2.57Å; R39-E42 HydrophobicContact CB-CG 4.35Å; R39-E42 IonicContact CZ-OE1 3.54Å; R39-E42 PolarHBondContact N-OE2 3.48Å; R39-E42 IonicContact NE-OE1 3.45Å; R39-E42 IonicContact NH1-OE1 3.13Å; R39-E42 PolarHBondContact NH1-OE1 3.07Å; R39-E42 IonicContact NH2-OE1 3.61Å; R39-E42 PolarHBondContact NH2-OE1 2.89Å; R39-E42 WeakPolarHBondContact O-CB 3.21Å; R39-E42 PolarHBondContact O-N 3Å; K40-E42 PolarHBondContact O-N 2.98Å
43S93.9Very high94.8Very high29 Ų2967.5 Ų67.520%0.20332%0.316CS..  trans-58.9125.5-176.1-166.40000111.2K40 E41 L45 E117K40-S43 WeakPolarHBondContact O-CB 3.06Å; K40-S43 PolarHBondContact O-N 3.34Å; K40-S43 VanDerWaalsContact O-N 3.08Å; E41-S43 VanDerWaalsContact C-N 3.3Å; S43-L45 PolarHBondContact O-N 3.43Å; S43-E117 WeakPolarHBondContact CB-OE1 3.26Å; S43-E117 PolarHBondContact OG-OE1 3.31Å
44P95.8Very high94.8Very high17 Ų1761 Ų6111%0.1129%0.292CS..  trans-79.82.3-17935.9-38.7000113.1I30 R33 L34I30-P44 HydrophobicContact CD1-CB 4.21Å; I30-P44 HydrophobicContact CG2-CG 4.06Å; R33-P44 HydrophobicContact CB-CB 3.98Å; R33-P44 HydrophobicContact CB-CG 3.91Å; R33-P44 VanDerWaalsContact CZ-CB 3.44Å; L34-P44 HydrophobicContact CD2-CG 3.91Å; L34-P44 HydrophobicContact CG-CG 3.79Å
45L95.8Very high94.8Very high25 Ų2565.3 Ų65.313%0.13132%0.315CS..  trans-81.2118.6-169.6-62.1172.5000111I30 L34 S43 F49 I50 L116 M120I30-L45 HydrophobicContact CG2-CD2 4.18Å; L34-L45 HydrophobicContact CD1-CD2 4.26Å; L34-L45 HydrophobicContact CD2-CD1 4.11Å; L34-L45 HydrophobicContact CD2-CD2 4.41Å; L34-L45 HydrophobicContact CD2-CG 4.09Å; S43-L45 PolarHBondContact O-N 3.43Å; L45-F49 HydrophobicContact CD2-CD1 4.11Å; L45-F49 HydrophobicContact CD2-CE1 4.21Å; L45-I50 HydrophobicContact CB-CD1 4.09Å; L45-I50 HydrophobicContact CB-CG1 4.2Å; L45-L116 HydrophobicContact CD1-CD2 4.38Å; L45-L116 HydrophobicContact CD1-CG 4.02Å; L45-M120 HydrophobicContact CD1-CB 3.76Å; L45-M120 HydrophobicContact CD1-CG 3.75Å; L45-M120 HydrophobicContact CD2-CB 4.14Å; L45-M120 HydrophobicContact CD2-CE 4.19Å; L45-M120 HydrophobicContact CD2-CG 4.35Å
46S94.8Very high94.8Very high62 Ų6263.7 Ų63.743%0.43431%0.306SS..  trans-97.7153.7168.574.80000110.5I48 F49 I50S46-I48 VanDerWaalsContact C-N 3.28Å; S46-I48 PolarHBondContact O-N 2.93Å; S46-F49 PolarHBondContact O-N 3.27Å; S46-F49 VanDerWaalsContact O-N 3.11Å; S46-F49 VanDerWaalsContact OG-CB 3.3Å; S46-F49 WeakPolarHBondContact OG-CB 3.09Å; S46-F49 PolarHBondContact OG-N 3.26Å; S46-I50 WeakPolarHBondContact O-CG1 3.33Å; S46-I50 PolarHBondContact O-N 2.75Å
47N95Very high94.9Very high35 Ų3555.9 Ų55.919%0.18727%0.273CS..Hα-helixtrans-58.6-40.3-180-63.7-21.4000112.8F49 I50 L51 N158 Y160N47-F49 VanDerWaalsContact C-N 3.35Å; N47-I50 PolarHBondContact O-N 3.03Å; N47-L51 VanDerWaalsContact O-CG 3.3Å; N47-L51 WeakPolarHBondContact O-CG 3.36Å; N47-L51 PolarHBondContact O-N 3.09Å; N47-N158 PolarHBondContact ND2-ND2 3.42Å; N47-N158 PolarHBondContact ND2-OD1 3.16Å; N47-N158 PolarHBondContact OD1-ND2 2.61Å; N47-Y160 HydrophobicContact CB-CD2 4.29Å; N47-Y160 WeakPolarHBondContact ND2-CD2 3.2Å
48I95.4Very high95.1Very high121 Ų12156.5 Ų56.562%0.62128%0.276SS*.Hα-helixtrans-62.5-45.6177.2-63.8173.8000110.1S46 L51 Q52S46-I48 VanDerWaalsContact C-N 3.28Å; S46-I48 PolarHBondContact O-N 2.93Å; I48-L51 PolarHBondContact O-N 3.09Å; I48-Q52 WeakPolarHBondContact O-CG 3.41Å; I48-Q52 PolarHBondContact O-N 3.13Å; I48-Q52 VanDerWaalsContact O-N 3.09Å
49F96.3Very high95.3Very high17 Ų1751.3 Ų51.38%0.07526%0.261CS..Hα-helixtrans-65.4-42.1179.2-178.8-104.4000111.9L26 I27 I30 L45 S46 N47 L51 Q52 V53 L124L26-F49 HydrophobicContact CD2-CD2 4.08Å; L26-F49 HydrophobicContact CD2-CE2 3.85Å; L26-F49 HydrophobicContact CG-CE2 3.98Å; I27-F49 HydrophobicContact CG1-CZ 4.37Å; I30-F49 HydrophobicContact CB-CE1 4.11Å; I30-F49 HydrophobicContact CB-CZ 4.04Å; I30-F49 HydrophobicContact CG1-CE1 3.99Å; I30-F49 HydrophobicContact CG1-CE2 4.24Å; I30-F49 HydrophobicContact CG1-CZ 3.78Å; I30-F49 HydrophobicContact CG2-CD1 4.46Å; I30-F49 HydrophobicContact CG2-CE1 3.68Å; I30-F49 HydrophobicContact CG2-CZ 4.14Å; L45-F49 HydrophobicContact CD2-CD1 4.11Å; L45-F49 HydrophobicContact CD2-CE1 4.21Å; S46-F49 PolarHBondContact O-N 3.27Å; S46-F49 VanDerWaalsContact O-N 3.11Å; S46-F49 VanDerWaalsContact OG-CB 3.3Å; S46-F49 WeakPolarHBondContact OG-CB 3.09Å; S46-F49 PolarHBondContact OG-N 3.26Å; N47-F49 VanDerWaalsContact C-N 3.35Å; F49-L51 PolarHBondContact O-N 3.46Å; F49-Q52 PolarHBondContact O-N 2.62Å; F49-V53 HydrophobicContact CD1-CG2 4.16Å; F49-V53 HydrophobicContact CD2-CG2 4.41Å; F49-V53 HydrophobicContact CE1-CG2 3.71Å; F49-V53 HydrophobicContact CE2-CG2 4Å; F49-V53 HydrophobicContact CG-CG2 4.49Å; F49-V53 HydrophobicContact CZ-CG2 3.63Å; F49-V53 VanDerWaalsContact O-CG2 3.27Å; F49-V53 WeakPolarHBondContact O-CG2 3.16Å; F49-V53 PolarHBondContact O-N 2.97Å; F49-L124 HydrophobicContact CE1-CD1 4.27Å; F49-L124 HydrophobicContact CE1-CD2 3.86Å; F49-L124 HydrophobicContact CZ-CD2 3.66Å
50I97.6Very high95.5Very high1 Ų146.2 Ų46.21%0.00525%0.246CC..Hα-helixtrans-56.5-50.9175.3-67.4162.4000109.9L45 S46 N47 Q52 V53 L54 L116 M120 L164 F168L45-I50 HydrophobicContact CB-CD1 4.09Å; L45-I50 HydrophobicContact CB-CG1 4.2Å; S46-I50 WeakPolarHBondContact O-CG1 3.33Å; S46-I50 PolarHBondContact O-N 2.75Å; N47-I50 PolarHBondContact O-N 3.03Å; I50-Q52 VanDerWaalsContact C-N 3.34Å; I50-Q52 PolarHBondContact O-N 3.46Å; I50-V53 PolarHBondContact O-N 3.44Å; I50-L54 HydrophobicContact CG2-CD1 4.09Å; I50-L54 HydrophobicContact CG2-CG 4.31Å; I50-L54 WeakPolarHBondContact O-CG 3.36Å; I50-L54 PolarHBondContact O-N 3.3Å; I50-L116 HydrophobicContact CD1-CD1 4.2Å; I50-L116 HydrophobicContact CD1-CD2 4.14Å; I50-M120 HydrophobicContact CB-CE 4.36Å; I50-M120 HydrophobicContact CB-SD 4.48Å; I50-M120 HydrophobicContact CG1-CE 4.05Å; I50-M120 HydrophobicContact CG1-SD 4.22Å; I50-M120 HydrophobicContact CG2-CE 4.41Å; I50-M120 HydrophobicContact CG2-SD 3.96Å; I50-L164 HydrophobicContact CB-CD2 4.29Å; I50-L164 HydrophobicContact CG2-CD2 3.9Å; I50-F168 HydrophobicContact CG2-CE2 3.98Å; I50-F168 HydrophobicContact CG2-CZ 3.78Å
51L97.2Very high96Very high44 Ų4442.5 Ų42.523%0.2323%0.23CC..Hα-helixtrans-60.1-42-178.8-69.2170.7000112.7N47 I48 F49 L54 D55 V163 L164 R167N47-L51 VanDerWaalsContact O-CG 3.3Å; N47-L51 WeakPolarHBondContact O-CG 3.36Å; N47-L51 PolarHBondContact O-N 3.09Å; I48-L51 PolarHBondContact O-N 3.09Å; F49-L51 PolarHBondContact O-N 3.46Å; L51-L54 PolarHBondContact O-N 2.78Å; L51-D55 PolarHBondContact O-N 3.21Å; L51-D55 VanDerWaalsContact O-N 3.08Å; L51-V163 HydrophobicContact CD2-CG1 4.23Å; L51-L164 HydrophobicContact CD2-CD2 4.02Å; L51-L164 HydrophobicContact CG-CD2 4.08Å; L51-R167 HydrophobicContact CD2-CB 4.12Å; L51-R167 HydrophobicContact CD2-CG 3.76Å
52Q96Very high96.4Very high100 Ų10038.4 Ų38.447%0.46721%0.213SC..Hα-helixtrans-60.9-45.3175.7-72.6172.7-29.500112.1I48 F49 I50 L54 D55 D56I48-Q52 WeakPolarHBondContact O-CG 3.41Å; I48-Q52 PolarHBondContact O-N 3.13Å; I48-Q52 VanDerWaalsContact O-N 3.09Å; F49-Q52 PolarHBondContact O-N 2.62Å; I50-Q52 VanDerWaalsContact C-N 3.34Å; I50-Q52 PolarHBondContact O-N 3.46Å; Q52-L54 VanDerWaalsContact C-N 3.3Å; Q52-L54 PolarHBondContact O-N 3.45Å; Q52-D55 PolarHBondContact O-N 2.89Å; Q52-D56 PolarHBondContact O-N 3.48Å
53V97.7Very high96.5Very high3 Ų341.2 Ų41.22%0.01823%0.23CC..Hα-helixtrans-63.1-38.7178170.40000111.3F49 I50 D56 V57 M120 L123 L124 L127F49-V53 HydrophobicContact CD1-CG2 4.16Å; F49-V53 HydrophobicContact CD2-CG2 4.41Å; F49-V53 HydrophobicContact CE1-CG2 3.71Å; F49-V53 HydrophobicContact CE2-CG2 4Å; F49-V53 HydrophobicContact CG-CG2 4.49Å; F49-V53 HydrophobicContact CZ-CG2 3.63Å; F49-V53 VanDerWaalsContact O-CG2 3.27Å; F49-V53 WeakPolarHBondContact O-CG2 3.16Å; F49-V53 PolarHBondContact O-N 2.97Å; I50-V53 PolarHBondContact O-N 3.44Å; V53-D56 PolarHBondContact O-N 3.46Å; V53-V57 WeakPolarHBondContact O-CB 3.31Å; V53-V57 WeakPolarHBondContact O-CG1 3.34Å; V53-V57 PolarHBondContact O-N 3.07Å; V53-M120 HydrophobicContact CB-CE 3.85Å; V53-M120 HydrophobicContact CG1-CE 3.69Å; V53-M120 HydrophobicContact CG2-CE 4.14Å; V53-L123 HydrophobicContact CG1-CB 4.35Å; V53-L124 HydrophobicContact CG1-CD2 4.02Å; V53-L124 HydrophobicContact CG1-CG 4.41Å; V53-L124 HydrophobicContact CG2-CD2 3.63Å; V53-L127 HydrophobicContact CG1-CD1 4Å
54L98.3Very high96.7Very high0 Ų041.2 Ų41.20%023%0.227CC..Hα-helixtrans-64.5-40.9176.5-64.9-178.5000111.7I50 L51 Q52 D58 L123 R167 F168 T171I50-L54 HydrophobicContact CG2-CD1 4.09Å; I50-L54 HydrophobicContact CG2-CG 4.31Å; I50-L54 WeakPolarHBondContact O-CG 3.36Å; I50-L54 PolarHBondContact O-N 3.3Å; L51-L54 PolarHBondContact O-N 2.78Å; Q52-L54 VanDerWaalsContact C-N 3.3Å; Q52-L54 PolarHBondContact O-N 3.45Å; L54-D58 WeakPolarHBondContact O-CB 3.27Å; L54-D58 PolarHBondContact O-N 3.49Å; L54-D58 VanDerWaalsContact O-OD1 3.13Å; L54-L123 HydrophobicContact CD2-CD1 3.77Å; L54-R167 HydrophobicContact CD1-CB 3.76Å; L54-F168 HydrophobicContact CD1-CD1 4.15Å; L54-F168 HydrophobicContact CD1-CD2 4.29Å; L54-F168 HydrophobicContact CD1-CE1 4.2Å; L54-F168 HydrophobicContact CD1-CE2 4.32Å; L54-F168 HydrophobicContact CD1-CG 4.18Å; L54-F168 HydrophobicContact CD1-CZ 4.27Å; L54-F168 HydrophobicContact CD2-CD1 3.81Å; L54-F168 HydrophobicContact CD2-CE1 3.66Å; L54-F168 HydrophobicContact CD2-CZ 4.35Å; L54-F168 HydrophobicContact CG-CE1 4.45Å; L54-T171 HydrophobicContact CD2-CG2 4.06Å
55D96.4Very high96.8Very high91 Ų9143.5 Ų43.549%0.48724%0.241SC..Hα-helixtrans-63.7-45.4175.6-66.3-21.3000111.7L51 Q52 R167L51-D55 PolarHBondContact O-N 3.21Å; L51-D55 VanDerWaalsContact O-N 3.08Å; Q52-D55 PolarHBondContact O-N 2.89Å; D55-R167 IonicContact OD1-CZ 3.17Å; D55-R167 IonicContact OD1-NE 2.69Å; D55-R167 IonicContact OD1-NH2 3.04Å; D55-R167 PolarHBondContact OD1-NH2 3.28Å
56D96.5Very high96.9Very high21 Ų2142.6 Ų42.611%0.11224%0.237CC..Hα-helixtrans-65.9-41.4-179.7-70.8-22.9000112H17 M19 Q52 V53 T60 L127H17-D56 IonicContact NE2-OD1 2.77Å; M19-D56 HydrophobicContact CE-CB 4.21Å; M19-D56 WeakPolarHBondContact CE-OD2 3.33Å; Q52-D56 PolarHBondContact O-N 3.48Å; V53-D56 PolarHBondContact O-N 3.46Å; D56-T60 PolarHBondContact O-N 3.36Å; D56-T60 PolarHBondContact O-OG1 3.03Å; D56-L127 HydrophobicContact CB-CD1 4.02Å; D56-L127 HydrophobicContact CB-CD2 4.08Å
57V97.7Very high97.1Very high0 Ų039.6 Ų39.60%022%0.216CC..Hα-helixtrans-77.5-28.9-177.2820000112.4V53 A59 T60 L61 L123 K126 L127 T171V53-V57 WeakPolarHBondContact O-CB 3.31Å; V53-V57 WeakPolarHBondContact O-CG1 3.34Å; V53-V57 PolarHBondContact O-N 3.07Å; V57-A59 VanDerWaalsContact C-N 3.28Å; V57-A59 PolarHBondContact O-N 3.35Å; V57-T60 PolarHBondContact O-N 3.41Å; V57-L61 HydrophobicContact CG2-CD1 4.23Å; V57-L61 HydrophobicContact CG2-CG 4.22Å; V57-L61 WeakPolarHBondContact O-CB 3.46Å; V57-L61 VanDerWaalsContact O-CG 3.31Å; V57-L61 WeakPolarHBondContact O-CG 3.32Å; V57-L61 PolarHBondContact O-N 3.48Å; V57-L123 HydrophobicContact CG1-CD1 4.3Å; V57-L123 HydrophobicContact CG1-CD2 4Å; V57-L123 HydrophobicContact CG2-CB 4.31Å; V57-L123 HydrophobicContact CG2-CD2 3.83Å; V57-K126 HydrophobicContact CG2-CB 4.43Å; V57-K126 HydrophobicContact CG2-CG 4.12Å; V57-L127 HydrophobicContact CB-CD1 4.34Å; V57-L127 HydrophobicContact CB-CD2 4.03Å; V57-L127 HydrophobicContact CB-CG 4.16Å; V57-L127 HydrophobicContact CG2-CD2 4.19Å; V57-L127 HydrophobicContact CG2-CG 4.19Å; V57-T171 HydrophobicContact CG1-CG2 3.76Å
58D98.2Very high97.3Very high18 Ų1838 Ų3810%0.09621%0.208CC..Hα-helixtrans-57.3-45.5172.8-72.4-11.4000109.9L54 T60 L61 L62 R167 T171L54-D58 WeakPolarHBondContact O-CB 3.27Å; L54-D58 PolarHBondContact O-N 3.49Å; L54-D58 VanDerWaalsContact O-OD1 3.13Å; D58-T60 PolarHBondContact O-N 3.03Å; D58-L61 PolarHBondContact O-N 2.86Å; D58-L62 WeakPolarHBondContact O-CB 3.35Å; D58-L62 WeakPolarHBondContact O-CG 3.45Å; D58-L62 PolarHBondContact O-N 3.29Å; D58-L62 VanDerWaalsContact O-N 3.07Å; D58-R167 IonicContact OD2-CZ 2.88Å; D58-R167 IonicContact OD2-NH1 3.64Å; D58-R167 PolarHBondContact OD2-NH1 2.91Å; D58-R167 VanDerWaalsContact OD2-NH1 3.13Å; D58-R167 IonicContact OD2-NH2 3.25Å; D58-R167 PolarHBondContact OD2-NH2 3.4Å; D58-T171 WeakPolarHBondContact OD1-CA 3.43Å; D58-T171 WeakPolarHBondContact OD1-CB 3.49Å; D58-T171 VanDerWaalsContact OD1-CG2 3.26Å; D58-T171 WeakPolarHBondContact OD1-CG2 3.47Å; D58-T171 PolarHBondContact OD1-OG1 3.18Å; D58-T171 PolarHBondContact OD2-OG1 3.16Å
59A96.2Very high97.4Very high44 Ų4436.8 Ų36.836%0.36420%0.203SC..Hα-helixtrans-62.4-42.9176.400000112.2V57 L62 D63V57-A59 VanDerWaalsContact C-N 3.28Å; V57-A59 PolarHBondContact O-N 3.35Å; A59-L62 PolarHBondContact O-N 2.84Å; A59-D63 PolarHBondContact O-N 3.12Å; A59-D63 VanDerWaalsContact O-N 3.16Å
60T96.5Very high97.5Very high35 Ų3536 Ų3622%0.21520%0.199CC..Hα-helixtrans-64.8-44.7179.4-60.10000111.8D56 V57 D58 L62 D63 K126 L127 P130D56-T60 PolarHBondContact O-N 3.36Å; D56-T60 PolarHBondContact O-OG1 3.03Å; V57-T60 PolarHBondContact O-N 3.41Å; D58-T60 PolarHBondContact O-N 3.03Å; T60-L62 VanDerWaalsContact C-N 3.34Å; T60-L62 PolarHBondContact O-N 3.28Å; T60-D63 PolarHBondContact O-N 3.33Å; T60-K126 HydrophobicContact CG2-CG 4.29Å; T60-L127 WeakPolarHBondContact OG1-CD2 3.37Å; T60-P130 HydrophobicContact CG2-CB 4.2Å
61L98.2Very high97.6Very high0 Ų041.2 Ų41.20%022%0.223CC..Hα-helixtrans-68.6-32.6-179.8-69.6169.6000112.6V57 D58 T171 C174 M175 R207V57-L61 HydrophobicContact CG2-CD1 4.23Å; V57-L61 HydrophobicContact CG2-CG 4.22Å; V57-L61 WeakPolarHBondContact O-CB 3.46Å; V57-L61 VanDerWaalsContact O-CG 3.31Å; V57-L61 WeakPolarHBondContact O-CG 3.32Å; V57-L61 PolarHBondContact O-N 3.48Å; D58-L61 PolarHBondContact O-N 2.86Å; L61-T171 HydrophobicContact CD1-CG2 4.18Å; L61-C174 HydrophobicContact CB-CB 4.03Å; L61-C174 HydrophobicContact CD1-CB 4.29Å; L61-M175 HydrophobicContact CD1-CG 4.07Å; L61-R207 PolarHBondContact O-NH1 3.27Å; L61-R207 PolarHBondContact O-NH2 3.2Å
62L97.6Very high97.6Very high72 Ų7239.8 Ų39.838%0.37722%0.217SC..Hα-helixtrans-76.6-23.2178.2-70.6174.7000113.6D58 A59 T60 E64 C174 R207D58-L62 WeakPolarHBondContact O-CB 3.35Å; D58-L62 WeakPolarHBondContact O-CG 3.45Å; D58-L62 PolarHBondContact O-N 3.29Å; D58-L62 VanDerWaalsContact O-N 3.07Å; A59-L62 PolarHBondContact O-N 2.84Å; T60-L62 VanDerWaalsContact C-N 3.34Å; T60-L62 PolarHBondContact O-N 3.28Å; L62-E64 VanDerWaalsContact C-N 3.34Å; L62-C174 HydrophobicContact CD2-CB 4.02Å; L62-C174 HydrophobicContact CG-CB 4.07Å; L62-R207 HydrophobicContact CD2-CB 3.67Å; L62-R207 WeakPolarHBondContact CD2-O 3.17Å
63D96.2Very high97.7Very high131 Ų13137.8 Ų37.870%0.70121%0.213SC*.Hα-helixtrans-72.2-29.7172.5-168.360.6000112A59 T60A59-D63 PolarHBondContact O-N 3.12Å; A59-D63 VanDerWaalsContact O-N 3.16Å; T60-D63 PolarHBondContact O-N 3.33Å
64E97.3Very high97.8Very high29 Ų2937.9 Ų37.914%0.13621%0.213CC..SBendtrans-68.8157173.2-62.8-171.6118.200111.9L62 L68 K126 R207L62-E64 VanDerWaalsContact C-N 3.34Å; E64-L68 HydrophobicContact CB-CD2 3.74Å; E64-L68 HydrophobicContact CG-CD2 4.27Å; E64-K126 IonicContact OE1-NZ 3.81Å; E64-K126 PolarHBondContact OE1-NZ 2.82Å; E64-K126 VanDerWaalsContact OE2-CE 3.22Å; E64-K126 WeakPolarHBondContact OE2-CE 3.5Å; E64-K126 IonicContact OE2-NZ 3.84Å; E64-K126 PolarHBondContact OE2-NZ 2.91Å; E64-K126 VanDerWaalsContact OE2-NZ 3.15Å; E64-R207 PolarHBondContact O-NH2 3.13Å
65P97.9Very high97.8Very high64 Ų6438.3 Ų38.342%0.41622%0.215SC..  trans-75.9156.6168.931.1-35.4000112L67 L68 R207P65-L67 WeakPolarHBondContact CB-O 3.37Å; P65-L67 VanDerWaalsContact CG-O 3.26Å; P65-L67 WeakPolarHBondContact CG-O 3.21Å; P65-L67 PolarHBondContact O-N 3.15Å; P65-L68 HydrophobicContact CG-CD2 4.37Å; P65-L68 WeakPolarHBondContact O-CD2 3.45Å; P65-R207 PolarHBondContact O-NH2 2.93Å
66T98.6Very high97.9Very high6 Ų634 Ų344%0.03719%0.192CC..SBendtrans-66.1-24.6176.7-54.70000112.7L177 A178 I202 L205 R207T66-L177 HydrophobicContact CG2-CB 4.15Å; T66-L177 HydrophobicContact CG2-CD1 3.94Å; T66-L177 HydrophobicContact CG2-CG 3.9Å; T66-L177 PolarHBondContact O-N 3.48Å; T66-A178 PolarHBondContact O-N 3.39Å; T66-I202 WeakPolarHBondContact CB-O 3.33Å; T66-I202 HydrophobicContact CG2-CG2 4.19Å; T66-L205 HydrophobicContact CG2-CB 3.98Å; T66-L205 HydrophobicContact CG2-CD1 4.24Å; T66-L205 PolarHBondContact OG1-O 2.75Å; T66-R207 PolarHBondContact OG1-NE 3.15Å
67L98.8Very high98Very high0 Ų033 Ų330%019%0.187CC..EExtended strand (participates in β ladder)trans-113.7105.5167.6176.251000108.1P65 A178 L180 F186 L199 I202 R203P65-L67 WeakPolarHBondContact CB-O 3.37Å; P65-L67 VanDerWaalsContact CG-O 3.26Å; P65-L67 WeakPolarHBondContact CG-O 3.21Å; P65-L67 PolarHBondContact O-N 3.15Å; L67-A178 WeakPolarHBondContact CA-O 3.22Å; L67-A178 HydrophobicContact CD1-CB 3.68Å; L67-L180 HydrophobicContact CD1-CG 4.12Å; L67-L180 HydrophobicContact CD2-CD1 4.33Å; L67-L180 HydrophobicContact CD2-CG 4.42Å; L67-L180 HydrophobicContact CG-CG 4.43Å; L67-F186 HydrophobicContact CD1-CE2 4.32Å; L67-L199 HydrophobicContact CD2-CB 3.94Å; L67-I202 HydrophobicContact CB-CB 4.26Å; L67-I202 HydrophobicContact CB-CG2 3.86Å; L67-I202 HydrophobicContact CD2-CB 4.33Å; L67-R203 HydrophobicContact CB-CG 3.94Å; L67-R203 HydrophobicContact CD2-CG 4.23Å; L67-R203 VanDerWaalsContact CD2-CZ 3.44Å
68L98.7Very high98Very high2 Ų233 Ų331%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-69.9146.5-178.4-58.9174.7000111.2E64 P65 V70 F134 L136 P176 A178 A179 L180E64-L68 HydrophobicContact CB-CD2 3.74Å; E64-L68 HydrophobicContact CG-CD2 4.27Å; P65-L68 HydrophobicContact CG-CD2 4.37Å; P65-L68 WeakPolarHBondContact O-CD2 3.45Å; L68-V70 HydrophobicContact CB-CG2 4.11Å; L68-F134 HydrophobicContact CD1-CB 3.92Å; L68-F134 HydrophobicContact CD1-CD1 3.9Å; L68-F134 HydrophobicContact CD1-CG 4.32Å; L68-L136 HydrophobicContact CD1-CD2 3.72Å; L68-L136 HydrophobicContact CG-CD2 4.38Å; L68-P176 HydrophobicContact CD1-CB 4.02Å; L68-P176 HydrophobicContact CD1-CG 4.01Å; L68-P176 HydrophobicContact CD2-CB 4.07Å; L68-P176 HydrophobicContact CD2-CG 3.76Å; L68-P176 HydrophobicContact CG-CB 3.79Å; L68-P176 HydrophobicContact CG-CG 3.96Å; L68-A178 PolarHBondContact N-O 2.75Å; L68-A179 HydrophobicContact CB-CB 3.84Å; L68-A179 HydrophobicContact CD1-CB 4.47Å; L68-A179 CarbonylContact O-C 3.6Å; L68-A179 VanDerWaalsContact O-CA 3.31Å; L68-A179 WeakPolarHBondContact O-CA 3.14Å; L68-L180 PolarHBondContact O-N 3.48Å
69D98.3Very high98Very high95 Ų9532.2 Ų32.251%0.50818%0.182SC..EExtended strand (participates in β ladder)trans-109.3117166.4-68.3-64.9000107.8R203D69-R203 IonicContact OD1-NH2 2.78Å
70V98.6Very high98Very high1 Ų130.1 Ų30.11%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-119.7124.7-170.8-1780000109.7L68 V74 K101 F134 A179 L180 I181 K182L68-V70 HydrophobicContact CB-CG2 4.11Å; V70-V74 HydrophobicContact CG1-CB 4.33Å; V70-V74 HydrophobicContact CG1-CG1 4.45Å; V70-V74 HydrophobicContact CG1-CG2 4.16Å; V70-K101 HydrophobicContact CG1-CD 3.97Å; V70-F134 HydrophobicContact CG1-CD2 4.06Å; V70-F134 HydrophobicContact CG1-CE2 3.92Å; V70-F134 HydrophobicContact CG2-CD1 4.18Å; V70-F134 HydrophobicContact CG2-CD2 4.14Å; V70-F134 HydrophobicContact CG2-CE1 4.32Å; V70-F134 HydrophobicContact CG2-CE2 4.31Å; V70-F134 HydrophobicContact CG2-CG 4.07Å; V70-F134 HydrophobicContact CG2-CZ 4.38Å; V70-A179 HydrophobicContact CG2-CB 4.09Å; V70-L180 PolarHBondContact N-O 3.08Å; V70-I181 HydrophobicContact CB-CG1 4.39Å; V70-I181 CarbonylContact O-C 3.42Å; V70-I181 VanDerWaalsContact O-CA 3.24Å; V70-I181 WeakPolarHBondContact O-CA 3.3Å; V70-K182 PolarHBondContact O-N 2.95Å
71E98Very high98Very high110 Ų11028.7 Ų28.751%0.51416%0.156SC..PPolyproline II helixtrans-84.1137.8174.6-70.5-58137.200111.4K101E71-K101 VanDerWaalsContact O-CD 3.29Å; E71-K101 WeakPolarHBondContact O-CD 3.25Å; E71-K101 PolarHBondContact O-NZ 2.94Å
72P98Very high97.9Very high14 Ų1428.7 Ų28.79%0.09116%0.156CC..SBendtrans-68.6164.4166.530.5-34.2000111.5I181 K182 V296 D297 L300P72-I181 HydrophobicContact CB-CG2 4.35Å; P72-I181 HydrophobicContact CG-CG2 4.47Å; P72-K182 HydrophobicContact CG-CB 4.4Å; P72-K182 HydrophobicContact CG-CD 3.98Å; P72-V296 HydrophobicContact CB-CG1 4.5Å; P72-D297 WeakPolarHBondContact CB-O 3.28Å; P72-L300 HydrophobicContact CG-CD2 4.15Å
73P98.3Very high97.7Very high58 Ų5827 Ų2738%0.37715%0.147SC..SBendcis-72.2144.2-4.830.9-34.7000111.7V296P73-V296 VanDerWaalsContact CA-O 3.23Å; P73-V296 WeakPolarHBondContact CA-O 3.18Å
74V98.8Very high97.7Very high4 Ų420.8 Ų20.82%0.02411%0.114CC..EExtended strand (participates in β ladder)trans-143.5143179.660.90000111.4V70 K101 L103 I181 V296V70-V74 HydrophobicContact CG1-CB 4.33Å; V70-V74 HydrophobicContact CG1-CG1 4.45Å; V70-V74 HydrophobicContact CG1-CG2 4.16Å; V74-K101 HydrophobicContact CB-CD 4.12Å; V74-K101 HydrophobicContact CB-CG 4.3Å; V74-K101 HydrophobicContact CG2-CD 4.23Å; V74-K101 HydrophobicContact CG2-CG 4Å; V74-L103 HydrophobicContact CG2-CB 3.9Å; V74-I181 HydrophobicContact CG1-CD1 3.68Å; V74-I181 HydrophobicContact CG1-CG1 4.19Å; V74-I181 HydrophobicContact CG1-CG2 4.11Å; V74-V296 HydrophobicContact CG1-CB 4.05Å; V74-V296 HydrophobicContact CG1-CG2 4.49Å; V74-V296 PolarHBondContact N-O 3.33Å; V74-V296 PolarHBondContact O-N 3.43Å
75I98.7Very high97.5Very high10 Ų1023.5 Ų23.55%0.05113%0.128CC..EExtended strand (participates in β ladder)trans-100.8124.8172.5-56.8-175.5000108.8Q94 R100 K101 Y102 L103 I293 V294 K295I75-Q94 HydrophobicContact CD1-CB 3.7Å; I75-Q94 HydrophobicContact CD1-CG 4.25Å; I75-R100 HydrophobicContact CD1-CB 4.17Å; I75-R100 HydrophobicContact CD1-CG 4.16Å; I75-K101 PolarHBondContact N-O 3.43Å; I75-Y102 HydrophobicContact CB-CD1 3.74Å; I75-Y102 HydrophobicContact CB-CE1 3.76Å; I75-Y102 HydrophobicContact CB-CG 4.44Å; I75-Y102 HydrophobicContact CD1-CE1 4Å; I75-Y102 HydrophobicContact CG1-CE1 4.42Å; I75-Y102 HydrophobicContact CG2-CD1 3.85Å; I75-Y102 HydrophobicContact CG2-CE1 3.67Å; I75-Y102 CarbonylContact O-C 3.51Å; I75-Y102 VanDerWaalsContact O-CA 3.23Å; I75-Y102 WeakPolarHBondContact O-CA 3.45Å; I75-L103 PolarHBondContact O-N 3.01Å; I75-I293 HydrophobicContact CG2-CB 4.05Å; I75-I293 HydrophobicContact CG2-CD1 3.67Å; I75-I293 HydrophobicContact CG2-CG1 4.36Å; I75-I293 HydrophobicContact CG2-CG2 4.36Å; I75-V294 CarbonylContact C-O 3.59Å; I75-V294 WeakPolarHBondContact CA-O 3.32Å; I75-K295 HydrophobicContact CG1-CG 4.3Å
76I98.6Very high97.2Very high0 Ų020.8 Ų20.80%011%0.11CC..EExtended strand (participates in β ladder)trans-102.7126.3-178.9-50.2171.7000109.3L103 L105 I181 I262 V279 I293 V294 V296I76-L103 CarbonylContact C-O 3.53Å; I76-L103 VanDerWaalsContact CA-O 3.25Å; I76-L103 WeakPolarHBondContact CA-O 3.49Å; I76-L103 HydrophobicContact CG1-CB 4.46Å; I76-L103 HydrophobicContact CG1-CD2 4.48Å; I76-L105 HydrophobicContact CG2-CD1 3.74Å; I76-L105 HydrophobicContact CG2-CD2 3.85Å; I76-L105 HydrophobicContact CG2-CG 3.69Å; I76-I181 HydrophobicContact CD1-CD1 3.55Å; I76-I181 HydrophobicContact CG1-CD1 4.23Å; I76-I262 HydrophobicContact CD1-CB 4.37Å; I76-I262 HydrophobicContact CD1-CD1 3.44Å; I76-I262 VanDerWaalsContact CD1-CD1 3.44Å; I76-I262 HydrophobicContact CD1-CG1 4.48Å; I76-I262 HydrophobicContact CD1-CG2 4.08Å; I76-I262 HydrophobicContact CG2-CG2 4.17Å; I76-V279 HydrophobicContact CG2-CG1 4.24Å; I76-I293 WeakPolarHBondContact O-CA 3.46Å; I76-I293 WeakPolarHBondContact O-CB 3.32Å; I76-V294 HydrophobicContact CB-CB 4.28Å; I76-V294 PolarHBondContact N-O 3.37Å; I76-V294 PolarHBondContact O-N 3.28Å; I76-V296 HydrophobicContact CD1-CG2 3.81Å
77C98.4Very high97.1Very high0 Ų020.5 Ų20.50%011%0.109CC..EExtended strand (participates in β ladder)trans-112.7134.6176.3-63.60000109.5L103 F104 L105C77-L103 PolarHBondContact N-O 3.23Å; C77-F104 HydrophobicContact CB-CD1 3.38Å; C77-F104 HydrophobicContact CB-CE1 3.47Å; C77-F104 VanDerWaalsContact CB-CE1 3.47Å; C77-F104 HydrophobicContact CB-CG 3.98Å; C77-F104 HydrophobicContact CB-CZ 4.13Å; C77-F104 WeakPolarHBondContact O-CA 3.26Å; C77-L105 PolarHBondContact O-N 2.57Å
78G98Very high97Very high0 Ų021.8 Ų21.80%012%0.115CC..  trans-87.3-148.7170.700000111.3V279 S281G78-V279 WeakPolarHBondContact CA-O 3.48Å; G78-S281 PolarHBondContact N-OG 3.15Å
79D97.7Very high96.8Very high1 Ų126.6 Ų26.61%0.00513%0.133CC..BIsolated β-bridgetrans-56.5135.6-177.4-50.531.9000111.6H81 D107 H189 A264 H265 F280 S281 C282D79-H81 IonicContact OD2-NE2 3.66Å; D79-D107 HydrophobicContact CB-CB 4.04Å; D79-H189 IonicContact OD1-CE1 3.22Å; D79-A264 WeakPolarHBondContact OD1-CB 3Å; D79-H265 PolarHBondContact OD1-N 3.34Å; D79-H265 WeakPolarHBondContact OD2-CA 3.25Å; D79-F280 HydrophobicContact CB-CD2 3.67Å; D79-F280 HydrophobicContact CB-CE2 3.44Å; D79-F280 VanDerWaalsContact CB-CE2 3.44Å; D79-F280 HydrophobicContact CB-CG 4.39Å; D79-F280 HydrophobicContact CB-CZ 3.97Å; D79-F280 WeakPolarHBondContact OD2-CE2 3.44Å; D79-S281 CarbonylContact O-C 3.52Å; D79-S281 VanDerWaalsContact O-C 3.26Å; D79-S281 WeakPolarHBondContact O-CA 3.37Å; D79-S281 WeakPolarHBondContact O-CB 3.44Å; D79-S281 PolarHBondContact O-N 3.3Å; D79-S281 VanDerWaalsContact O-N 3.1Å; D79-C282 PolarHBondContact O-N 3.47Å
80I97Very high96.7Very high1 Ų122.1 Ų22.11%0.00511%0.109CC..  trans-112.2-36.4177-57.5-64.1000111.2G82 D83 L87 I90 F104 D107 V118I80-G82 VanDerWaalsContact C-N 3.33Å; I80-G82 PolarHBondContact O-N 2.76Å; I80-D83 WeakPolarHBondContact O-CB 3.26Å; I80-D83 PolarHBondContact O-N 3.07Å; I80-L87 HydrophobicContact CD1-CD1 4.48Å; I80-L87 HydrophobicContact CG2-CB 4.32Å; I80-I90 HydrophobicContact CD1-CD1 4.15Å; I80-F104 HydrophobicContact CD1-CD1 4.5Å; I80-F104 HydrophobicContact CD1-CE1 4.2Å; I80-F104 HydrophobicContact CG1-CD1 4.19Å; I80-F104 HydrophobicContact CG1-CE1 4.22Å; I80-D107 PolarHBondContact N-O 3.29Å; I80-V118 HydrophobicContact CB-CG1 4.36Å; I80-V118 HydrophobicContact CG2-CG1 3.73Å; I80-V118 HydrophobicContact CG2-CG2 3.98Å
81H96.5Very high96.7Very high4 Ų422 Ų222%0.01911%0.109CC..THydrogen-bonded Turntrans45.850.1174.2-80.8-45.7000114.5D79 D83 D107 Y108 I109 D110 R111 G112 H140 Y285D79-H81 IonicContact OD2-NE2 3.66Å; H81-D83 PolarHBondContact O-N 2.88Å; H81-D83 VanDerWaalsContact O-N 3.13Å; H81-D107 IonicContact CE1-OD2 2.81Å; H81-D107 PolarHBondContact N-O 3.15Å; H81-D107 IonicContact NE2-OD2 3.64Å; H81-Y108 PolarHBondContact N-O 2.96Å; H81-I109 PolarHBondContact ND1-O 3.16Å; H81-D110 CarbonylContact C-O 3.46Å; H81-D110 VanDerWaalsContact CA-O 3.31Å; H81-D110 WeakPolarHBondContact CA-O 3.45Å; H81-D110 WeakPolarHBondContact CB-O 3.34Å; H81-D110 VanDerWaalsContact O-O 3.12Å; H81-R111 HydrophobicContact CB-CB 4.23Å; H81-G112 WeakPolarHBondContact O-CA 3.3Å; H81-G112 PolarHBondContact O-N 2.98Å; H81-H140 AromaticContact CE1-CD2 3.45Å; H81-H140 PolarHBondContact CE1-CD2 2.55Å; H81-H140 VanDerWaalsContact CE1-CD2 3.45Å; H81-H140 AromaticContact CE1-CE1 3.87Å; H81-H140 AromaticContact CE1-CG 3.61Å; H81-H140 AromaticContact CE1-ND1 3.88Å; H81-H140 AromaticContact CE1-NE2 3.64Å; H81-Y285 HydrophobicContact CB-CE2 4.3Å; H81-Y285 AromaticContact CD2-CE2 3.53Å; H81-Y285 AromaticContact CD2-CZ 3.83Å
82G95.7Very high96.5Very high1 Ų120.4 Ų20.41%0.0111%0.109CC..THydrogen-bonded Turntrans67.710.4178.600000115.3I80 Y84 Y108 F114 N115I80-G82 VanDerWaalsContact C-N 3.33Å; I80-G82 PolarHBondContact O-N 2.76Å; G82-Y84 VanDerWaalsContact C-N 3.28Å; G82-Y84 PolarHBondContact O-N 2.91Å; G82-Y108 PolarHBondContact N-O 3.05Å; G82-F114 WeakPolarHBondContact O-CB 3.34Å; G82-F114 PolarHBondContact O-N 2.82Å; G82-F114 VanDerWaalsContact O-N 3.08Å; G82-N115 WeakPolarHBondContact CA-OD1 3.31Å
83D94.2Very high96.4Very high35 Ų3522.9 Ų22.919%0.18713%0.127CC..  trans-79.577.9171.5-172.7-6.2000110.9I80 H81 M85 T86 L87I80-D83 WeakPolarHBondContact O-CB 3.26Å; I80-D83 PolarHBondContact O-N 3.07Å; H81-D83 PolarHBondContact O-N 2.88Å; H81-D83 VanDerWaalsContact O-N 3.13Å; D83-M85 VanDerWaalsContact C-N 3.29Å; D83-M85 PolarHBondContact O-N 3.34Å; D83-M85 PolarHBondContact OD1-N 3.05Å; D83-T86 VanDerWaalsContact CG-CB 3.43Å; D83-T86 PolarHBondContact O-N 3.09Å; D83-T86 PolarHBondContact OD1-N 3.2Å; D83-T86 PolarHBondContact OD1-OG1 3.13Å; D83-T86 WeakPolarHBondContact OD2-CB 3.16Å; D83-T86 PolarHBondContact OD2-OG1 3.4Å; D83-L87 PolarHBondContact O-N 2.74Å; D83-L87 VanDerWaalsContact O-N 3.09Å
84Y95Very high96.3Very high1 Ų121.4 Ų21.40%0.00412%0.115CC..Hα-helixtrans-62.2-35.7-178.9-170.9-116.2000113.3L34 V37 G82 T86 L87 I88 F114 E117 V118 L121L34-Y84 WeakPolarHBondContact CB-OH 3.14Å; L34-Y84 PolarHBondContact O-OH 3.29Å; V37-Y84 HydrophobicContact CB-CE1 4.07Å; V37-Y84 HydrophobicContact CG1-CE1 4.44Å; G82-Y84 VanDerWaalsContact C-N 3.28Å; G82-Y84 PolarHBondContact O-N 2.91Å; Y84-T86 PolarHBondContact O-N 3.41Å; Y84-L87 HydrophobicContact CD2-CD2 4.47Å; Y84-L87 WeakPolarHBondContact O-CB 3.16Å; Y84-L87 PolarHBondContact O-N 3.03Å; Y84-I88 HydrophobicContact CD1-CG1 4.24Å; Y84-I88 HydrophobicContact CE1-CD1 4.2Å; Y84-I88 HydrophobicContact CE1-CG1 3.93Å; Y84-I88 HydrophobicContact CE2-CD1 4.17Å; Y84-I88 HydrophobicContact CE2-CG1 4.38Å; Y84-I88 WeakPolarHBondContact O-CG1 3.17Å; Y84-I88 PolarHBondContact O-N 3.43Å; Y84-F114 HydrophobicContact CG-CB 4.18Å; Y84-E117 HydrophobicContact CD1-CB 4.47Å; Y84-E117 HydrophobicContact CD2-CB 3.76Å; Y84-E117 HydrophobicContact CE1-CB 4.46Å; Y84-E117 HydrophobicContact CE2-CB 3.75Å; Y84-E117 HydrophobicContact CG-CB 4.13Å; Y84-V118 HydrophobicContact CD2-CG2 3.85Å; Y84-V118 HydrophobicContact CG-CG2 4.41Å; Y84-L121 HydrophobicContact CE2-CB 4.23Å; Y84-L121 HydrophobicContact CE2-CD2 3.73Å
85M93.1Very high96.3Very high87 Ų8722.1 Ų22.143%0.42912%0.123SC..Hα-helixtrans-67.3-40.7-178.8-62.5-60.916900110.8K38 D83 I88 R89 F114K38-M85 WeakPolarHBondContact O-CE 3.48Å; D83-M85 VanDerWaalsContact C-N 3.29Å; D83-M85 PolarHBondContact O-N 3.34Å; D83-M85 PolarHBondContact OD1-N 3.05Å; M85-I88 PolarHBondContact O-N 3.31Å; M85-R89 WeakPolarHBondContact O-CB 3.46Å; M85-R89 PolarHBondContact O-N 3.35Å; M85-F114 HydrophobicContact CE-CZ 4.48Å
86T93.1Very high96.2Very high7 Ų724.8 Ų24.84%0.04313%0.133CC..Hα-helixtrans-66.2-40.1173.5-64.80000111.8D83 Y84 I88 R89 I90 S281 P283 F307D83-T86 VanDerWaalsContact CG-CB 3.43Å; D83-T86 PolarHBondContact O-N 3.09Å; D83-T86 PolarHBondContact OD1-N 3.2Å; D83-T86 PolarHBondContact OD1-OG1 3.13Å; D83-T86 WeakPolarHBondContact OD2-CB 3.16Å; D83-T86 PolarHBondContact OD2-OG1 3.4Å; Y84-T86 PolarHBondContact O-N 3.41Å; T86-I88 PolarHBondContact O-N 2.97Å; T86-R89 WeakPolarHBondContact O-CB 3.37Å; T86-R89 PolarHBondContact O-N 3.18Å; T86-R89 VanDerWaalsContact O-N 3.15Å; T86-I90 HydrophobicContact CG2-CD1 4Å; T86-I90 HydrophobicContact CG2-CG1 4.29Å; T86-I90 WeakPolarHBondContact O-CG1 3.49Å; T86-I90 PolarHBondContact O-N 3.5Å; T86-S281 WeakPolarHBondContact CG2-O 3.46Å; T86-P283 HydrophobicContact CG2-CG 4.27Å; T86-P283 WeakPolarHBondContact OG1-CD 3.24Å; T86-P283 WeakPolarHBondContact OG1-CG 3.06Å; T86-F307 HydrophobicContact CG2-CD2 4.33Å
87L96.4Very high96.2Very high0 Ų025.1 Ų25.10%014%0.135CC..Hα-helixtrans-57.4-48.5174.6-178.562.9000112.2I80 D83 Y84 R89 I90 F91 F104 V118 L121 L122I80-L87 HydrophobicContact CD1-CD1 4.48Å; I80-L87 HydrophobicContact CG2-CB 4.32Å; D83-L87 PolarHBondContact O-N 2.74Å; D83-L87 VanDerWaalsContact O-N 3.09Å; Y84-L87 HydrophobicContact CD2-CD2 4.47Å; Y84-L87 WeakPolarHBondContact O-CB 3.16Å; Y84-L87 PolarHBondContact O-N 3.03Å; L87-R89 VanDerWaalsContact C-N 3.31Å; L87-R89 PolarHBondContact O-N 2.89Å; L87-I90 WeakPolarHBondContact O-CB 3.32Å; L87-I90 PolarHBondContact O-N 2.82Å; L87-F91 HydrophobicContact CD1-CD2 4.16Å; L87-F91 HydrophobicContact CD1-CE2 3.46Å; L87-F91 VanDerWaalsContact CD1-CE2 3.46Å; L87-F91 HydrophobicContact CD1-CZ 3.81Å; L87-F91 HydrophobicContact CD2-CE2 4.33Å; L87-F91 HydrophobicContact CG-CD2 4.18Å; L87-F91 HydrophobicContact CG-CE2 3.71Å; L87-F91 WeakPolarHBondContact O-CD2 3.11Å; L87-F91 PolarHBondContact O-N 2.98Å; L87-F104 HydrophobicContact CD1-CE1 3.71Å; L87-F104 HydrophobicContact CD1-CZ 3.83Å; L87-V118 HydrophobicContact CD2-CB 4.38Å; L87-V118 HydrophobicContact CD2-CG1 4.13Å; L87-V118 HydrophobicContact CD2-CG2 4.2Å; L87-L121 HydrophobicContact CD2-CD2 4.01Å; L87-L121 HydrophobicContact CG-CD2 4.49Å; L87-L122 HydrophobicContact CD1-CD2 4.13Å; L87-L122 HydrophobicContact CD2-CD2 4.36Å; L87-L122 HydrophobicContact CD2-CG 4.21Å
88I96.2Very high96.1Very high26 Ų2628.3 Ų28.313%0.13316%0.156CC..Hα-helixtrans-61.3-40.1175.9-63.1-58.5000111.3I35 Y84 M85 T86 F91 S92 W96 L121I35-I88 HydrophobicContact CG1-CD1 4.42Å; Y84-I88 HydrophobicContact CD1-CG1 4.24Å; Y84-I88 HydrophobicContact CE1-CD1 4.2Å; Y84-I88 HydrophobicContact CE1-CG1 3.93Å; Y84-I88 HydrophobicContact CE2-CD1 4.17Å; Y84-I88 HydrophobicContact CE2-CG1 4.38Å; Y84-I88 WeakPolarHBondContact O-CG1 3.17Å; Y84-I88 PolarHBondContact O-N 3.43Å; M85-I88 PolarHBondContact O-N 3.31Å; T86-I88 PolarHBondContact O-N 2.97Å; I88-F91 PolarHBondContact O-N 3.26Å; I88-S92 VanDerWaalsContact O-CB 3.26Å; I88-S92 WeakPolarHBondContact O-CB 3.35Å; I88-S92 PolarHBondContact O-N 2.84Å; I88-S92 PolarHBondContact O-OG 3.29Å; I88-W96 HydrophobicContact CD1-CH2 3.73Å; I88-W96 HydrophobicContact CD1-CZ2 4.38Å; I88-W96 HydrophobicContact CG2-CZ2 4.47Å; I88-L121 HydrophobicContact CD1-CD2 3.69Å
89R94.6Very high96.1Very high104 Ų10433.7 Ų33.739%0.39219%0.188SC..Hα-helixtrans-63.9-40.3176.9-177.9-176.8178.6-174.41.9112.1M85 T86 L87 S92 S93 L308M85-R89 WeakPolarHBondContact O-CB 3.46Å; M85-R89 PolarHBondContact O-N 3.35Å; T86-R89 WeakPolarHBondContact O-CB 3.37Å; T86-R89 PolarHBondContact O-N 3.18Å; T86-R89 VanDerWaalsContact O-N 3.15Å; L87-R89 VanDerWaalsContact C-N 3.31Å; L87-R89 PolarHBondContact O-N 2.89Å; R89-S92 PolarHBondContact O-N 3.18Å; R89-S93 VanDerWaalsContact O-CB 3.25Å; R89-S93 WeakPolarHBondContact O-CB 3.22Å; R89-S93 PolarHBondContact O-N 3.08Å; R89-S93 PolarHBondContact O-OG 2.87Å; R89-L308 PolarHBondContact NH1-O 3.16Å; R89-L308 VanDerWaalsContact NH1-O 3.14Å
90I96.2Very high96.1Very high0 Ų039.5 Ų39.50%021%0.21CC..Hα-helixtrans-57.1-58.3175.3-71.5163.8000108.9I80 T86 L87 S92 S93 Q94 Y102 I293 F307I80-I90 HydrophobicContact CD1-CD1 4.15Å; T86-I90 HydrophobicContact CG2-CD1 4Å; T86-I90 HydrophobicContact CG2-CG1 4.29Å; T86-I90 WeakPolarHBondContact O-CG1 3.49Å; T86-I90 PolarHBondContact O-N 3.5Å; L87-I90 WeakPolarHBondContact O-CB 3.32Å; L87-I90 PolarHBondContact O-N 2.82Å; I90-S92 VanDerWaalsContact C-N 3.33Å; I90-S92 PolarHBondContact O-N 2.71Å; I90-S93 PolarHBondContact O-N 3.4Å; I90-S93 PolarHBondContact O-OG 2.95Å; I90-Q94 HydrophobicContact CG2-CG 4.49Å; I90-Q94 WeakPolarHBondContact O-CB 3.23Å; I90-Q94 VanDerWaalsContact O-CG 3.3Å; I90-Q94 WeakPolarHBondContact O-CG 3.47Å; I90-Q94 PolarHBondContact O-N 3.49Å; I90-Y102 HydrophobicContact CG2-CE1 3.89Å; I90-I293 HydrophobicContact CD1-CG2 4.36Å; I90-I293 HydrophobicContact CG1-CG2 4.42Å; I90-I293 HydrophobicContact CG2-CG2 4.36Å; I90-F307 HydrophobicContact CD1-CE2 3.88Å; I90-F307 HydrophobicContact CD1-CZ 4.46Å; I90-F307 HydrophobicContact CG1-CD2 4.41Å; I90-F307 HydrophobicContact CG1-CE2 3.42Å; I90-F307 VanDerWaalsContact CG1-CE2 3.42Å; I90-F307 HydrophobicContact CG1-CZ 3.56Å
91F97.4Very high96.2Very high0 Ų041.3 Ų41.30%022%0.218CC..Hα-helixtrans-62-40.3-178-65.3-48.2000113L87 I88 S93 G95 W96 P97 Y102 F104 L121 L122 L125L87-F91 HydrophobicContact CD1-CD2 4.16Å; L87-F91 HydrophobicContact CD1-CE2 3.46Å; L87-F91 VanDerWaalsContact CD1-CE2 3.46Å; L87-F91 HydrophobicContact CD1-CZ 3.81Å; L87-F91 HydrophobicContact CD2-CE2 4.33Å; L87-F91 HydrophobicContact CG-CD2 4.18Å; L87-F91 HydrophobicContact CG-CE2 3.71Å; L87-F91 WeakPolarHBondContact O-CD2 3.11Å; L87-F91 PolarHBondContact O-N 2.98Å; I88-F91 PolarHBondContact O-N 3.26Å; F91-S93 PolarHBondContact O-N 3.14Å; F91-G95 CarbonylContact O-C 3.48Å; F91-G95 VanDerWaalsContact O-CA 3.27Å; F91-G95 WeakPolarHBondContact O-CA 3.49Å; F91-G95 PolarHBondContact O-N 2.79Å; F91-W96 HydrophobicContact CB-CD2 3.52Å; F91-W96 HydrophobicContact CB-CE3 3.63Å; F91-W96 HydrophobicContact CB-CG 4.13Å; F91-W96 HydrophobicContact CB-CH2 3.71Å; F91-W96 HydrophobicContact CB-CZ2 3.64Å; F91-W96 HydrophobicContact CB-CZ3 3.73Å; F91-W96 AromaticContact CD2-CE3 3.95Å; F91-W96 HydrophobicContact CD2-CE3 3.95Å; F91-W96 AromaticContact CD2-CH2 3.66Å; F91-W96 HydrophobicContact CD2-CH2 3.66Å; F91-W96 HydrophobicContact CD2-CZ2 4.45Å; F91-W96 AromaticContact CD2-CZ3 3.38Å; F91-W96 HydrophobicContact CD2-CZ3 3.38Å; F91-W96 HydrophobicContact CE2-CZ3 4.16Å; F91-W96 HydrophobicContact CG-CD2 4.25Å; F91-W96 AromaticContact CG-CE3 3.85Å; F91-W96 HydrophobicContact CG-CE3 3.85Å; F91-W96 HydrophobicContact CG-CH2 4.08Å; F91-W96 HydrophobicContact CG-CZ2 4.49Å; F91-W96 AromaticContact CG-CZ3 3.76Å; F91-W96 HydrophobicContact CG-CZ3 3.76Å; F91-W96 PolarHBondContact O-N 3.46Å; F91-P97 HydrophobicContact CE1-CG 4.33Å; F91-Y102 HydrophobicContact CD1-CD2 4.34Å; F91-Y102 HydrophobicContact CD1-CE1 4.06Å; F91-Y102 AromaticContact CD1-CE2 3.79Å; F91-Y102 HydrophobicContact CD1-CE2 3.79Å; F91-Y102 AromaticContact CD1-CZ 3.64Å; F91-Y102 HydrophobicContact CE1-CD1 4.12Å; F91-Y102 AromaticContact CE1-CD2 3.96Å; F91-Y102 HydrophobicContact CE1-CD2 3.96Å; F91-Y102 HydrophobicContact CE1-CE1 4.07Å; F91-Y102 AromaticContact CE1-CE2 3.88Å; F91-Y102 HydrophobicContact CE1-CE2 3.88Å; F91-Y102 HydrophobicContact CE1-CG 4.07Å; F91-Y102 AromaticContact CE1-CZ 3.95Å; F91-F104 HydrophobicContact CE1-CE2 4.27Å; F91-F104 AromaticContact CE1-CZ 3.95Å; F91-F104 HydrophobicContact CE1-CZ 3.95Å; F91-F104 HydrophobicContact CZ-CE2 4.09Å; F91-F104 AromaticContact CZ-CZ 3.66Å; F91-F104 HydrophobicContact CZ-CZ 3.66Å; F91-L121 HydrophobicContact CE2-CD2 4.36Å; F91-L122 HydrophobicContact CE2-CD2 4.47Å; F91-L122 HydrophobicContact CZ-CD2 4.03Å; F91-L125 HydrophobicContact CE2-CD1 3.78Å; F91-L125 HydrophobicContact CZ-CD1 3.84Å
92S95.8Very high96.3Very high75 Ų7541.1 Ų41.152%0.52422%0.217SC..Hα-helixtrans-68-35.2-179.6-57.40000112.9I88 R89 I90I88-S92 VanDerWaalsContact O-CB 3.26Å; I88-S92 WeakPolarHBondContact O-CB 3.35Å; I88-S92 PolarHBondContact O-N 2.84Å; I88-S92 PolarHBondContact O-OG 3.29Å; R89-S92 PolarHBondContact O-N 3.18Å; I90-S92 VanDerWaalsContact C-N 3.33Å; I90-S92 PolarHBondContact O-N 2.71Å
93S94.8Very high96.5Very high66 Ų6641.1 Ų41.146%0.46222%0.217SC..Hα-helixtrans-85.7-29.4-178.463.80000113.7R89 I90 F91R89-S93 VanDerWaalsContact O-CB 3.25Å; R89-S93 WeakPolarHBondContact O-CB 3.22Å; R89-S93 PolarHBondContact O-N 3.08Å; R89-S93 PolarHBondContact O-OG 2.87Å; I90-S93 PolarHBondContact O-N 3.4Å; I90-S93 PolarHBondContact O-OG 2.95Å; F91-S93 PolarHBondContact O-N 3.14Å
94Q96.8Very high96.7Very high28 Ų2839.4 Ų39.413%0.13121%0.208CC..Hα-helixtrans-100.9-25.8-175.9-56.7-45.5-56.700113.6I75 I90 R100 Y102 I293I75-Q94 HydrophobicContact CD1-CB 3.7Å; I75-Q94 HydrophobicContact CD1-CG 4.25Å; I90-Q94 HydrophobicContact CG2-CG 4.49Å; I90-Q94 WeakPolarHBondContact O-CB 3.23Å; I90-Q94 VanDerWaalsContact O-CG 3.3Å; I90-Q94 WeakPolarHBondContact O-CG 3.47Å; I90-Q94 PolarHBondContact O-N 3.49Å; Q94-R100 VanDerWaalsContact O-CG 3.29Å; Q94-R100 WeakPolarHBondContact O-CG 3.49Å; Q94-R100 PolarHBondContact O-NE 2.6Å; Q94-Y102 VanDerWaalsContact CB-OH 3.31Å; Q94-Y102 WeakPolarHBondContact CB-OH 3.48Å; Q94-I293 HydrophobicContact CG-CD1 3.41Å; Q94-I293 VanDerWaalsContact CG-CD1 3.41Å
95G97.5Very high96.9Very high19 Ų1939.4 Ų39.420%0.19621%0.208CC..  trans116.8133.2-175.400000111.6F91 Y102F91-G95 CarbonylContact O-C 3.48Å; F91-G95 VanDerWaalsContact O-CA 3.27Å; F91-G95 WeakPolarHBondContact O-CA 3.49Å; F91-G95 PolarHBondContact O-N 2.79Å; G95-Y102 WeakPolarHBondContact O-CE2 3.24Å; G95-Y102 PolarHBondContact O-OH 3.37Å
96W98Very high97.1Very high65 Ų6535.2 Ų35.225%0.24619%0.187CC..  trans-72.1149.7177.5-71.885.7000111.7I35 I88 F91 V99 R100 L125I35-W96 HydrophobicContact CB-CH2 4.46Å; I35-W96 HydrophobicContact CD1-CD2 4.47Å; I35-W96 HydrophobicContact CD1-CE3 4.16Å; I35-W96 HydrophobicContact CD1-CH2 3.67Å; I35-W96 HydrophobicContact CD1-CZ2 3.97Å; I35-W96 HydrophobicContact CD1-CZ3 3.75Å; I35-W96 HydrophobicContact CG1-CH2 3.49Å; I35-W96 VanDerWaalsContact CG1-CH2 3.49Å; I35-W96 HydrophobicContact CG1-CZ2 4.01Å; I35-W96 HydrophobicContact CG1-CZ3 3.92Å; I35-W96 HydrophobicContact CG2-CH2 4.24Å; I35-W96 HydrophobicContact CG2-CZ2 3.97Å; I88-W96 HydrophobicContact CD1-CH2 3.73Å; I88-W96 HydrophobicContact CD1-CZ2 4.38Å; I88-W96 HydrophobicContact CG2-CZ2 4.47Å; F91-W96 HydrophobicContact CB-CD2 3.52Å; F91-W96 HydrophobicContact CB-CE3 3.63Å; F91-W96 HydrophobicContact CB-CG 4.13Å; F91-W96 HydrophobicContact CB-CH2 3.71Å; F91-W96 HydrophobicContact CB-CZ2 3.64Å; F91-W96 HydrophobicContact CB-CZ3 3.73Å; F91-W96 AromaticContact CD2-CE3 3.95Å; F91-W96 HydrophobicContact CD2-CE3 3.95Å; F91-W96 AromaticContact CD2-CH2 3.66Å; F91-W96 HydrophobicContact CD2-CH2 3.66Å; F91-W96 HydrophobicContact CD2-CZ2 4.45Å; F91-W96 AromaticContact CD2-CZ3 3.38Å; F91-W96 HydrophobicContact CD2-CZ3 3.38Å; F91-W96 HydrophobicContact CE2-CZ3 4.16Å; F91-W96 HydrophobicContact CG-CD2 4.25Å; F91-W96 AromaticContact CG-CE3 3.85Å; F91-W96 HydrophobicContact CG-CE3 3.85Å; F91-W96 HydrophobicContact CG-CH2 4.08Å; F91-W96 HydrophobicContact CG-CZ2 4.49Å; F91-W96 AromaticContact CG-CZ3 3.76Å; F91-W96 HydrophobicContact CG-CZ3 3.76Å; F91-W96 PolarHBondContact O-N 3.46Å; W96-V99 WeakPolarHBondContact O-CA 3Å; W96-V99 WeakPolarHBondContact O-CB 3.4Å; W96-V99 PolarHBondContact O-N 2.95Å; W96-R100 PolarHBondContact O-N 3.48Å; W96-L125 HydrophobicContact CZ3-CD1 4.38Å
97P97.6Very high97.4Very high8 Ų835 Ų355%0.05219%0.185CC..THydrogen-bonded Turntrans-57143.5165.6-18.529.7000111.1F91 Y102 Y129 I133F91-P97 HydrophobicContact CE1-CG 4.33Å; P97-Y102 HydrophobicContact CG-CD2 4Å; P97-Y102 HydrophobicContact CG-CE2 4.16Å; P97-Y129 HydrophobicContact CB-CD2 3.62Å; P97-Y129 HydrophobicContact CB-CE2 4.14Å; P97-Y129 HydrophobicContact CB-CG 4.2Å; P97-Y129 WeakPolarHBondContact O-CE2 3.31Å; P97-I133 HydrophobicContact CB-CD1 4.03Å; P97-I133 HydrophobicContact CB-CG1 4.06Å; P97-I133 HydrophobicContact CG-CD1 3.3Å; P97-I133 HydrophobicContact CG-CG1 3.82Å
98P97.2Very high97.5Very high67 Ų6735 Ų3544%0.43519%0.185SC..THydrogen-bonded Turncis-91.110.23.637-33.1000113.3R100 Y129 D132P98-R100 PolarHBondContact O-N 2.94Å; P98-Y129 HydrophobicContact CB-CD1 3.82Å; P98-Y129 HydrophobicContact CB-CE1 4.24Å; P98-Y129 HydrophobicContact CB-CG 4.22Å; P98-Y129 HydrophobicContact CG-CD1 3.93Å; P98-Y129 HydrophobicContact CG-CE1 3.84Å; P98-D132 HydrophobicContact CB-CB 4.43Å; P98-D132 WeakPolarHBondContact CB-OD2 3.27Å
99V97.6Very high97.6Very high112 Ų11233.7 Ų33.768%0.67918%0.179SC*.THydrogen-bonded Turntrans-62.8-29.9179.2-1770000111.3W96W96-V99 WeakPolarHBondContact O-CA 3Å; W96-V99 WeakPolarHBondContact O-CB 3.4Å; W96-V99 PolarHBondContact O-N 2.95Å
100R97.7Very high97.7Very high124 Ų12428.8 Ų28.847%0.46816%0.16SC..SBendtrans-131142.5172.1-63.8-61.7-177-160.7-0.2110.3I75 Q94 W96 P98 Y102I75-R100 HydrophobicContact CD1-CB 4.17Å; I75-R100 HydrophobicContact CD1-CG 4.16Å; Q94-R100 VanDerWaalsContact O-CG 3.29Å; Q94-R100 WeakPolarHBondContact O-CG 3.49Å; Q94-R100 PolarHBondContact O-NE 2.6Å; W96-R100 PolarHBondContact O-N 3.48Å; P98-R100 PolarHBondContact O-N 2.94Å; R100-Y102 HydrophobicContact CB-CD2 4.32Å; R100-Y102 HydrophobicContact CB-CE2 3.59Å; R100-Y102 WeakPolarHBondContact O-CD2 3.44Å
101K98.6Very high97.5Very high39 Ų3933.2 Ų33.217%0.1718%0.177CC..  trans-87.4137.8171.3-179-175.4-67.9146.50110.4V70 E71 V74 I75 D132 F134V70-K101 HydrophobicContact CG1-CD 3.97Å; E71-K101 VanDerWaalsContact O-CD 3.29Å; E71-K101 WeakPolarHBondContact O-CD 3.25Å; E71-K101 PolarHBondContact O-NZ 2.94Å; V74-K101 HydrophobicContact CB-CD 4.12Å; V74-K101 HydrophobicContact CB-CG 4.3Å; V74-K101 HydrophobicContact CG2-CD 4.23Å; V74-K101 HydrophobicContact CG2-CG 4Å; I75-K101 PolarHBondContact N-O 3.43Å; K101-D132 CarbonylContact C-O 3.49Å; K101-D132 VanDerWaalsContact CA-O 3.27Å; K101-D132 WeakPolarHBondContact CA-O 3.47Å; K101-F134 HydrophobicContact CD-CE2 3.8Å; K101-F134 HydrophobicContact CG-CD2 4.18Å; K101-F134 HydrophobicContact CG-CE2 3.77Å
102Y98.8Very high97.2Very high0 Ų034.4 Ų34.40%019%0.19CC..EExtended strand (participates in β ladder)trans-127.1139.5-179.8-68.4-96.1000112.3I75 I90 F91 Q94 G95 P97 R100 F104 D132 I133 F134I75-Y102 HydrophobicContact CB-CD1 3.74Å; I75-Y102 HydrophobicContact CB-CE1 3.76Å; I75-Y102 HydrophobicContact CB-CG 4.44Å; I75-Y102 HydrophobicContact CD1-CE1 4Å; I75-Y102 HydrophobicContact CG1-CE1 4.42Å; I75-Y102 HydrophobicContact CG2-CD1 3.85Å; I75-Y102 HydrophobicContact CG2-CE1 3.67Å; I75-Y102 CarbonylContact O-C 3.51Å; I75-Y102 VanDerWaalsContact O-CA 3.23Å; I75-Y102 WeakPolarHBondContact O-CA 3.45Å; I90-Y102 HydrophobicContact CG2-CE1 3.89Å; F91-Y102 HydrophobicContact CD1-CD2 4.34Å; F91-Y102 HydrophobicContact CD1-CE1 4.06Å; F91-Y102 AromaticContact CD1-CE2 3.79Å; F91-Y102 HydrophobicContact CD1-CE2 3.79Å; F91-Y102 AromaticContact CD1-CZ 3.64Å; F91-Y102 HydrophobicContact CE1-CD1 4.12Å; F91-Y102 AromaticContact CE1-CD2 3.96Å; F91-Y102 HydrophobicContact CE1-CD2 3.96Å; F91-Y102 HydrophobicContact CE1-CE1 4.07Å; F91-Y102 AromaticContact CE1-CE2 3.88Å; F91-Y102 HydrophobicContact CE1-CE2 3.88Å; F91-Y102 HydrophobicContact CE1-CG 4.07Å; F91-Y102 AromaticContact CE1-CZ 3.95Å; Q94-Y102 VanDerWaalsContact CB-OH 3.31Å; Q94-Y102 WeakPolarHBondContact CB-OH 3.48Å; G95-Y102 WeakPolarHBondContact O-CE2 3.24Å; G95-Y102 PolarHBondContact O-OH 3.37Å; P97-Y102 HydrophobicContact CG-CD2 4Å; P97-Y102 HydrophobicContact CG-CE2 4.16Å; R100-Y102 HydrophobicContact CB-CD2 4.32Å; R100-Y102 HydrophobicContact CB-CE2 3.59Å; R100-Y102 WeakPolarHBondContact O-CD2 3.44Å; Y102-F104 HydrophobicContact CD1-CE2 4.3Å; Y102-F104 HydrophobicContact CD1-CZ 4.44Å; Y102-F104 HydrophobicContact CG-CE2 4.2Å; Y102-D132 PolarHBondContact N-O 3.48Å; Y102-I133 HydrophobicContact CD2-CD1 4.06Å; Y102-I133 HydrophobicContact CG-CD1 4.32Å; Y102-F134 WeakPolarHBondContact O-CD2 3.29Å; Y102-F134 PolarHBondContact O-N 3.45Å
103L98.9Very high97Very high0 Ų037.4 Ų37.40%020%0.195CC..EExtended strand (participates in β ladder)trans-117.4116.8165.8173.665000108.1V74 I75 I76 C77 L105 F134 L136 A179 I181 C187V74-L103 HydrophobicContact CG2-CB 3.9Å; I75-L103 PolarHBondContact O-N 3.01Å; I76-L103 CarbonylContact C-O 3.53Å; I76-L103 VanDerWaalsContact CA-O 3.25Å; I76-L103 WeakPolarHBondContact CA-O 3.49Å; I76-L103 HydrophobicContact CG1-CB 4.46Å; I76-L103 HydrophobicContact CG1-CD2 4.48Å; C77-L103 PolarHBondContact N-O 3.23Å; L103-L105 HydrophobicContact CD2-CD2 4.1Å; L103-L105 HydrophobicContact CG-CD2 4.09Å; L103-F134 HydrophobicContact CB-CB 4.46Å; L103-F134 HydrophobicContact CD1-CB 3.59Å; L103-L136 HydrophobicContact CD1-CD1 4.21Å; L103-L136 HydrophobicContact CD1-CD2 4.28Å; L103-L136 HydrophobicContact CD1-CG 3.88Å; L103-A179 HydrophobicContact CD1-CB 4.02Å; L103-A179 HydrophobicContact CD2-CB 3.88Å; L103-I181 HydrophobicContact CD2-CD1 4.45Å; L103-C187 HydrophobicContact CD2-CB 3.64Å
104F98.9Very high97.1Very high0 Ų035.4 Ų35.40%018%0.179CC..EExtended strand (participates in β ladder)trans-97.8136.2171-66.9-104.5000110.1C77 I80 L87 F91 Y102 Y108 L122 F134 L135 L136C77-F104 HydrophobicContact CB-CD1 3.38Å; C77-F104 HydrophobicContact CB-CE1 3.47Å; C77-F104 VanDerWaalsContact CB-CE1 3.47Å; C77-F104 HydrophobicContact CB-CG 3.98Å; C77-F104 HydrophobicContact CB-CZ 4.13Å; C77-F104 WeakPolarHBondContact O-CA 3.26Å; I80-F104 HydrophobicContact CD1-CD1 4.5Å; I80-F104 HydrophobicContact CD1-CE1 4.2Å; I80-F104 HydrophobicContact CG1-CD1 4.19Å; I80-F104 HydrophobicContact CG1-CE1 4.22Å; L87-F104 HydrophobicContact CD1-CE1 3.71Å; L87-F104 HydrophobicContact CD1-CZ 3.83Å; F91-F104 HydrophobicContact CE1-CE2 4.27Å; F91-F104 AromaticContact CE1-CZ 3.95Å; F91-F104 HydrophobicContact CE1-CZ 3.95Å; F91-F104 HydrophobicContact CZ-CE2 4.09Å; F91-F104 AromaticContact CZ-CZ 3.66Å; F91-F104 HydrophobicContact CZ-CZ 3.66Å; Y102-F104 HydrophobicContact CD1-CE2 4.3Å; Y102-F104 HydrophobicContact CD1-CZ 4.44Å; Y102-F104 HydrophobicContact CG-CE2 4.2Å; F104-Y108 HydrophobicContact CB-CE1 3.62Å; F104-Y108 HydrophobicContact CD1-CE1 4.41Å; F104-Y108 HydrophobicContact CG-CE1 4.25Å; F104-L122 HydrophobicContact CD1-CD1 4.45Å; F104-L122 HydrophobicContact CD1-CD2 4.37Å; F104-L122 HydrophobicContact CD2-CD2 4.12Å; F104-L122 HydrophobicContact CE1-CD2 3.96Å; F104-L122 HydrophobicContact CE2-CD2 3.67Å; F104-L122 HydrophobicContact CG-CD2 4.46Å; F104-L122 HydrophobicContact CZ-CD2 3.61Å; F104-F134 PolarHBondContact N-O 2.96Å; F104-L135 HydrophobicContact CB-CD2 4.07Å; F104-L135 HydrophobicContact CD2-CD2 3.88Å; F104-L135 HydrophobicContact CG-CD2 4.17Å; F104-L136 WeakPolarHBondContact O-CB 3.23Å; F104-L136 PolarHBondContact O-N 3.46Å
105L98.9Very high97.1Very high0 Ų034.1 Ų34.10%017%0.173CC..  trans-88.3-10-173.1-60.4-174.7000114.2I76 C77 L103 L136 C187 H189 I262 A264 V279I76-L105 HydrophobicContact CG2-CD1 3.74Å; I76-L105 HydrophobicContact CG2-CD2 3.85Å; I76-L105 HydrophobicContact CG2-CG 3.69Å; C77-L105 PolarHBondContact O-N 2.57Å; L103-L105 HydrophobicContact CD2-CD2 4.1Å; L103-L105 HydrophobicContact CG-CD2 4.09Å; L105-L136 HydrophobicContact CD2-CD1 3.8Å; L105-C187 HydrophobicContact CD2-CB 3.84Å; L105-H189 WeakPolarHBondContact O-CB 3.19Å; L105-H189 PolarHBondContact O-ND1 3.25Å; L105-I262 HydrophobicContact CD1-CG2 4.19Å; L105-A264 HydrophobicContact CB-CB 3.76Å; L105-A264 HydrophobicContact CD1-CB 3.97Å; L105-A264 HydrophobicContact CG-CB 4.49Å; L105-V279 HydrophobicContact CD1-CG1 3.52Å
106G98.6Very high97Very high0 Ų034.2 Ų34.20%017%0.168CC..SBendtrans131.3-171.5179.300000112.7
107D98.4Very high97Very high1 Ų131.4 Ų31.41%0.00516%0.158CC..  trans5559.7175.4-74.27.5000112.3D79 I80 H81 G138 N139 H140 E141 H189D79-D107 HydrophobicContact CB-CB 4.04Å; I80-D107 PolarHBondContact N-O 3.29Å; H81-D107 IonicContact CE1-OD2 2.81Å; H81-D107 PolarHBondContact N-O 3.15Å; H81-D107 IonicContact NE2-OD2 3.64Å; D107-G138 VanDerWaalsContact OD1-CA 3.32Å; D107-G138 WeakPolarHBondContact OD1-CA 3.13Å; D107-N139 PolarHBondContact OD1-N 2.66Å; D107-N139 PolarHBondContact OD1-OD1 3.28Å; D107-N139 PolarHBondContact OD2-OD1 3.08Å; D107-H140 HydrophobicContact CB-CB 4.46Å; D107-H140 WeakPolarHBondContact OD1-CB 3.42Å; D107-H140 IonicContact OD1-CD2 3.56Å; D107-H140 IonicContact OD1-CG 3.74Å; D107-H140 PolarHBondContact OD1-N 2.97Å; D107-H140 IonicContact OD2-CD2 3.9Å; D107-H140 PolarHBondContact OD2-CD2 3.16Å; D107-H140 VanDerWaalsContact OD2-CD2 3.25Å; D107-E141 PolarHBondContact N-OE2 2.86Å; D107-H189 IonicContact OD1-CD2 3.73Å; D107-H189 IonicContact OD1-CE1 3.66Å; D107-H189 IonicContact OD1-NE2 3.2Å; D107-H189 PolarHBondContact OD1-NE2 2.87Å; D107-H189 IonicContact OD2-CE1 3.42Å; D107-H189 PolarHBondContact OD2-CE1 3.34Å; D107-H189 IonicContact OD2-NE2 2.76Å; D107-H189 PolarHBondContact OD2-NE2 2.77Å
108Y98.5Very high97Very high0 Ų031 Ų310%016%0.156CC..  trans-77.8-36.5177.7-48.4-62.8000111.5H81 G82 F104 V118 I119 L122 L135 L136 E141 M175H81-Y108 PolarHBondContact N-O 2.96Å; G82-Y108 PolarHBondContact N-O 3.05Å; F104-Y108 HydrophobicContact CB-CE1 3.62Å; F104-Y108 HydrophobicContact CD1-CE1 4.41Å; F104-Y108 HydrophobicContact CG-CE1 4.25Å; Y108-V118 WeakPolarHBondContact O-CG1 3.46Å; Y108-I119 HydrophobicContact CD2-CD1 3.75Å; Y108-I119 HydrophobicContact CG-CD1 3.98Å; Y108-L122 HydrophobicContact CD1-CD1 3.35Å; Y108-L122 HydrophobicContact CE1-CD1 3.77Å; Y108-L122 HydrophobicContact CG-CD1 4.08Å; Y108-L135 HydrophobicContact CE1-CD2 4.23Å; Y108-L135 VanDerWaalsContact OH-CA 3.29Å; Y108-L135 WeakPolarHBondContact OH-CA 3.41Å; Y108-L135 WeakPolarHBondContact OH-CB 3.39Å; Y108-L136 WeakPolarHBondContact CE2-O 3.42Å; Y108-L136 VanDerWaalsContact CZ-O 3.26Å; Y108-L136 PolarHBondContact OH-N 3.44Å; Y108-L136 VanDerWaalsContact OH-N 3.16Å; Y108-L136 PolarHBondContact OH-O 3.17Å; Y108-E141 HydrophobicContact CD2-CG 3.74Å; Y108-E141 VanDerWaalsContact CD2-OE1 3.32Å; Y108-E141 WeakPolarHBondContact CD2-OE1 3.13Å; Y108-E141 HydrophobicContact CE2-CG 4.14Å; Y108-E141 PolarHBondContact N-OE1 3.13Å; Y108-M175 HydrophobicContact CD2-CE 4.24Å; Y108-M175 HydrophobicContact CE2-CE 3.6Å; Y108-M175 HydrophobicContact CE2-SD 3.93Å
109I98.1Very high97.1Very high0 Ų027.9 Ų27.90%014%0.135CC..SBendtrans-112.8179.7-169.662.5168.3000111.9H81 N115 I119 E141 N146 F151 F172H81-I109 PolarHBondContact ND1-O 3.16Å; I109-N115 VanDerWaalsContact C-OD1 3.24Å; I109-N115 VanDerWaalsContact CA-OD1 3.29Å; I109-N115 WeakPolarHBondContact CA-OD1 3.29Å; I109-N115 HydrophobicContact CB-CB 4.14Å; I109-N115 HydrophobicContact CG2-CB 4.11Å; I109-I119 HydrophobicContact CG2-CB 3.97Å; I109-I119 HydrophobicContact CG2-CG2 4.24Å; I109-E141 WeakPolarHBondContact CG1-OE1 3.44Å; I109-E141 PolarHBondContact N-OE1 2.58Å; I109-N146 HydrophobicContact CD1-CB 3.62Å; I109-F151 HydrophobicContact CB-CB 4.14Å; I109-F151 HydrophobicContact CB-CD2 4.19Å; I109-F151 HydrophobicContact CB-CG 4.12Å; I109-F151 HydrophobicContact CD1-CB 3.81Å; I109-F151 HydrophobicContact CD1-CD1 3.45Å; I109-F151 VanDerWaalsContact CD1-CD1 3.45Å; I109-F151 HydrophobicContact CD1-CD2 4.4Å; I109-F151 HydrophobicContact CD1-CE1 4.06Å; I109-F151 HydrophobicContact CD1-CG 3.64Å; I109-F151 HydrophobicContact CG1-CB 4.37Å; I109-F151 HydrophobicContact CG1-CG 4.43Å; I109-F151 HydrophobicContact CG2-CD2 4.01Å; I109-F151 HydrophobicContact CG2-CE2 4.17Å; I109-F151 HydrophobicContact CG2-CG 4.31Å; I109-F172 HydrophobicContact CD1-CE2 3.53Å; I109-F172 HydrophobicContact CD1-CZ 3.7Å
110D96.6Very high97.1Very high0 Ų022.5 Ų22.50%010%0.103CC..SBendtrans64.7165.9-171.5-65.5-35.2000115H81 G112 N115 H140 N146 G150 F151H81-D110 CarbonylContact C-O 3.46Å; H81-D110 VanDerWaalsContact CA-O 3.31Å; H81-D110 WeakPolarHBondContact CA-O 3.45Å; H81-D110 WeakPolarHBondContact CB-O 3.34Å; H81-D110 VanDerWaalsContact O-O 3.12Å; D110-G112 PolarHBondContact O-N 3.17Å; D110-N115 WeakPolarHBondContact CA-OD1 3.31Å; D110-N115 PolarHBondContact N-OD1 2.8Å; D110-N115 PolarHBondContact O-OD1 3.08Å; D110-H140 VanDerWaalsContact CB-ND1 3.28Å; D110-H140 WeakPolarHBondContact CB-ND1 3.17Å; D110-H140 IonicContact OD2-CE1 2.92Å; D110-H140 IonicContact OD2-CG 3.68Å; D110-H140 IonicContact OD2-ND1 3.79Å; D110-H140 PolarHBondContact OD2-ND1 3.44Å; D110-N146 WeakPolarHBondContact OD1-CA 3.35Å; D110-N146 WeakPolarHBondContact OD2-CA 3.28Å; D110-N146 WeakPolarHBondContact OD2-CB 3.41Å; D110-G150 PolarHBondContact OD1-N 2.74Å; D110-G150 VanDerWaalsContact OD1-N 3.09Å; D110-F151 VanDerWaalsContact OD1-CB 3.31Å; D110-F151 WeakPolarHBondContact OD1-CB 3.32Å; D110-F151 PolarHBondContact OD1-N 2.87Å
111R92.6Very high97.2Very high93 Ų9316.6 Ų16.635%0.3518%0.08SC..SBendtrans69.2-55.6175.4-46.9-75-173.11322.4114.1H81 Y149 Y285 E326H81-R111 HydrophobicContact CB-CB 4.23Å; R111-Y149 PolarHBondContact N-O 2.93Å; R111-Y285 HydrophobicContact CB-CE2 3.76Å; R111-Y285 HydrophobicContact CG-CE2 3.78Å; R111-Y285 WeakPolarHBondContact CG-OH 3.47Å; R111-Y285 VanDerWaalsContact CZ-OH 3.22Å; R111-Y285 PolarHBondContact NE-OH 2.99Å; R111-Y285 PolarHBondContact NH1-OH 3.06Å; R111-E326 IonicContact CZ-OE1 3.16Å; R111-E326 IonicContact NH1-OE1 3.58Å; R111-E326 PolarHBondContact NH1-OE1 2.69Å; R111-E326 VanDerWaalsContact NH1-OE1 3.16Å; R111-E326 IonicContact NH2-OE1 3.98Å; R111-E326 PolarHBondContact NH2-OE1 3.23Å
112G92.3Very high97.2Very high26 Ų2614.8 Ų14.827%0.2687%0.072SC..SBendtrans-78.4-176.3177.300000113.2H81 D110 N115H81-G112 WeakPolarHBondContact O-CA 3.3Å; H81-G112 PolarHBondContact O-N 2.98Å; D110-G112 PolarHBondContact O-N 3.17Å; G112-N115 PolarHBondContact O-ND2 2.94Å
113E91.5Very high97.2Very high137 Ų13714.8 Ų14.864%0.647%0.072SC*.SBendtrans-96-33.5-172.2-62.5-171.7145.500113K40 N115K40-E113 WeakPolarHBondContact CE-O 3.41Å; K40-E113 PolarHBondContact NZ-O 3.05Å; E113-N115 PolarHBondContact O-N 3.38Å
114F95.4Very high97.2Very high25 Ų2514.8 Ų14.811%0.117%0.072CC..  trans-103.748.6-170.3-70.7-95.2000111.6V37 K40 G82 Y84 M85 L116 E117 V118V37-F114 HydrophobicContact CG1-CE1 4.43Å; K40-F114 HydrophobicContact CB-CE1 4.47Å; K40-F114 HydrophobicContact CG-CD1 3.92Å; K40-F114 HydrophobicContact CG-CE1 3.64Å; K40-F114 HydrophobicContact CG-CZ 4.13Å; G82-F114 WeakPolarHBondContact O-CB 3.34Å; G82-F114 PolarHBondContact O-N 2.82Å; G82-F114 VanDerWaalsContact O-N 3.08Å; Y84-F114 HydrophobicContact CG-CB 4.18Å; M85-F114 HydrophobicContact CE-CZ 4.48Å; F114-L116 PolarHBondContact O-N 3.09Å; F114-E117 HydrophobicContact CB-CB 4.38Å; F114-E117 HydrophobicContact CD1-CG 4.31Å; F114-E117 PolarHBondContact O-N 3.29Å; F114-V118 WeakPolarHBondContact O-CB 3.41Å; F114-V118 WeakPolarHBondContact O-CG2 3.48Å; F114-V118 PolarHBondContact O-N 2.64Å
115N96.6Very high97.2Very high1 Ų114.9 Ų14.91%0.0057%0.073CC..Hα-helixtrans-64-42.9-173.2-61.8-70.2000111.7G82 I109 D110 G112 E113 V118 I119 F151 E154G82-N115 WeakPolarHBondContact CA-OD1 3.31Å; I109-N115 VanDerWaalsContact C-OD1 3.24Å; I109-N115 VanDerWaalsContact CA-OD1 3.29Å; I109-N115 WeakPolarHBondContact CA-OD1 3.29Å; I109-N115 HydrophobicContact CB-CB 4.14Å; I109-N115 HydrophobicContact CG2-CB 4.11Å; D110-N115 WeakPolarHBondContact CA-OD1 3.31Å; D110-N115 PolarHBondContact N-OD1 2.8Å; D110-N115 PolarHBondContact O-OD1 3.08Å; G112-N115 PolarHBondContact O-ND2 2.94Å; E113-N115 PolarHBondContact O-N 3.38Å; N115-V118 PolarHBondContact O-N 2.82Å; N115-I119 VanDerWaalsContact O-CG2 3.32Å; N115-I119 WeakPolarHBondContact O-CG2 3.48Å; N115-I119 PolarHBondContact O-N 3.01Å; N115-F151 HydrophobicContact CB-CD2 3.66Å; N115-F151 HydrophobicContact CB-CE2 4.32Å; N115-E154 WeakPolarHBondContact CB-OE2 3.37Å; N115-E154 VanDerWaalsContact CG-OE2 3.32Å; N115-E154 PolarHBondContact N-OE1 2.99Å; N115-E154 PolarHBondContact N-OE2 2.85Å; N115-E154 VanDerWaalsContact N-OE2 3.12Å; N115-E154 PolarHBondContact ND2-OE2 3.1Å
116L96.6Very high97.1Very high20 Ų2014.9 Ų14.911%0.1057%0.073CC..Hα-helixtrans-64.5-45.4179.3-176.761.5000111.7L45 I50 F114 I119 M120 E154 L155 F168L45-L116 HydrophobicContact CD1-CD2 4.38Å; L45-L116 HydrophobicContact CD1-CG 4.02Å; I50-L116 HydrophobicContact CD1-CD1 4.2Å; I50-L116 HydrophobicContact CD1-CD2 4.14Å; F114-L116 PolarHBondContact O-N 3.09Å; L116-I119 WeakPolarHBondContact O-CG2 3.19Å; L116-M120 HydrophobicContact CD1-CG 3.8Å; L116-M120 HydrophobicContact CG-CG 4.31Å; L116-M120 WeakPolarHBondContact O-CB 3.24Å; L116-M120 WeakPolarHBondContact O-CG 3.47Å; L116-M120 PolarHBondContact O-N 2.88Å; L116-E154 VanDerWaalsContact CB-OE1 3.29Å; L116-E154 WeakPolarHBondContact CB-OE1 3.29Å; L116-E154 PolarHBondContact N-OE1 3.34Å; L116-L155 HydrophobicContact CD1-CD2 4.34Å; L116-L155 HydrophobicContact CD2-CD2 4.31Å; L116-F168 HydrophobicContact CD1-CE2 3.92Å; L116-F168 HydrophobicContact CD1-CZ 3.61Å
117E97.5Very high97.1Very high7 Ų715.4 Ų15.43%0.0338%0.076CC..Hα-helixtrans-64.2-41.6177.8-72.467.2-147.800112.2L34 V37 S43 Y84 F114 L121L34-E117 HydrophobicContact CD2-CG 4.23Å; V37-E117 HydrophobicContact CG1-CG 4.35Å; S43-E117 WeakPolarHBondContact CB-OE1 3.26Å; S43-E117 PolarHBondContact OG-OE1 3.31Å; Y84-E117 HydrophobicContact CD1-CB 4.47Å; Y84-E117 HydrophobicContact CD2-CB 3.76Å; Y84-E117 HydrophobicContact CE1-CB 4.46Å; Y84-E117 HydrophobicContact CE2-CB 3.75Å; Y84-E117 HydrophobicContact CG-CB 4.13Å; F114-E117 HydrophobicContact CB-CB 4.38Å; F114-E117 HydrophobicContact CD1-CG 4.31Å; F114-E117 PolarHBondContact O-N 3.29Å; E117-L121 WeakPolarHBondContact O-CB 3.36Å; E117-L121 PolarHBondContact O-N 3.36Å
118V98.3Very high97.1Very high0 Ų016.4 Ų16.40%08%0.081CC..Hα-helixtrans-58.9-57.7176.3163.80000110.6I80 Y84 L87 Y108 F114 N115 M120 L121 L122I80-V118 HydrophobicContact CB-CG1 4.36Å; I80-V118 HydrophobicContact CG2-CG1 3.73Å; I80-V118 HydrophobicContact CG2-CG2 3.98Å; Y84-V118 HydrophobicContact CD2-CG2 3.85Å; Y84-V118 HydrophobicContact CG-CG2 4.41Å; L87-V118 HydrophobicContact CD2-CB 4.38Å; L87-V118 HydrophobicContact CD2-CG1 4.13Å; L87-V118 HydrophobicContact CD2-CG2 4.2Å; Y108-V118 WeakPolarHBondContact O-CG1 3.46Å; F114-V118 WeakPolarHBondContact O-CB 3.41Å; F114-V118 WeakPolarHBondContact O-CG2 3.48Å; F114-V118 PolarHBondContact O-N 2.64Å; N115-V118 PolarHBondContact O-N 2.82Å; V118-M120 VanDerWaalsContact C-N 3.35Å; V118-M120 PolarHBondContact O-N 2.92Å; V118-L121 PolarHBondContact O-N 3.27Å; V118-L122 HydrophobicContact CG1-CD1 4.17Å; V118-L122 WeakPolarHBondContact O-CG 3.32Å; V118-L122 PolarHBondContact O-N 3.31Å; V118-L122 VanDerWaalsContact O-N 3.13Å
119I98.5Very high97Very high0 Ų019.1 Ų19.10%09%0.092CC..Hα-helixtrans-66-40.4-174.5-169.558.2000111.1Y108 I109 N115 L116 L122 L123 F151 F168 F172 M175Y108-I119 HydrophobicContact CD2-CD1 3.75Å; Y108-I119 HydrophobicContact CG-CD1 3.98Å; I109-I119 HydrophobicContact CG2-CB 3.97Å; I109-I119 HydrophobicContact CG2-CG2 4.24Å; N115-I119 VanDerWaalsContact O-CG2 3.32Å; N115-I119 WeakPolarHBondContact O-CG2 3.48Å; N115-I119 PolarHBondContact O-N 3.01Å; L116-I119 WeakPolarHBondContact O-CG2 3.19Å; I119-L122 PolarHBondContact O-N 2.84Å; I119-L123 HydrophobicContact CD1-CD1 4.39Å; I119-L123 HydrophobicContact CD1-CG 4.22Å; I119-L123 HydrophobicContact CG1-CD1 3.95Å; I119-L123 HydrophobicContact CG1-CG 4.23Å; I119-L123 VanDerWaalsContact O-CG 3.24Å; I119-L123 WeakPolarHBondContact O-CG 3.39Å; I119-L123 PolarHBondContact O-N 3.27Å; I119-F151 HydrophobicContact CG2-CE2 4.39Å; I119-F151 HydrophobicContact CG2-CZ 4.49Å; I119-F168 HydrophobicContact CG1-CE1 4.42Å; I119-F168 HydrophobicContact CG2-CE1 3.84Å; I119-F168 HydrophobicContact CG2-CZ 4.3Å; I119-F172 HydrophobicContact CD1-CE1 3.97Å; I119-F172 HydrophobicContact CG1-CE1 3.93Å; I119-F172 HydrophobicContact CG1-CZ 4.32Å; I119-M175 HydrophobicContact CD1-CE 4.38Å
120M98.5Very high97Very high0 Ų021.9 Ų21.90%011%0.109CC..Hα-helixtrans-67.1-39.6179.3-71.4-59.7-56.600112.4L45 I50 V53 L116 V118 L122 L123 L124 F168L45-M120 HydrophobicContact CD1-CB 3.76Å; L45-M120 HydrophobicContact CD1-CG 3.75Å; L45-M120 HydrophobicContact CD2-CB 4.14Å; L45-M120 HydrophobicContact CD2-CE 4.19Å; L45-M120 HydrophobicContact CD2-CG 4.35Å; I50-M120 HydrophobicContact CB-CE 4.36Å; I50-M120 HydrophobicContact CB-SD 4.48Å; I50-M120 HydrophobicContact CG1-CE 4.05Å; I50-M120 HydrophobicContact CG1-SD 4.22Å; I50-M120 HydrophobicContact CG2-CE 4.41Å; I50-M120 HydrophobicContact CG2-SD 3.96Å; V53-M120 HydrophobicContact CB-CE 3.85Å; V53-M120 HydrophobicContact CG1-CE 3.69Å; V53-M120 HydrophobicContact CG2-CE 4.14Å; L116-M120 HydrophobicContact CD1-CG 3.8Å; L116-M120 HydrophobicContact CG-CG 4.31Å; L116-M120 WeakPolarHBondContact O-CB 3.24Å; L116-M120 WeakPolarHBondContact O-CG 3.47Å; L116-M120 PolarHBondContact O-N 2.88Å; V118-M120 VanDerWaalsContact C-N 3.35Å; V118-M120 PolarHBondContact O-N 2.92Å; M120-L122 VanDerWaalsContact C-N 3.34Å; M120-L122 PolarHBondContact O-N 3.11Å; M120-L123 PolarHBondContact O-N 3.37Å; M120-L124 VanDerWaalsContact O-CB 3.32Å; M120-L124 WeakPolarHBondContact O-CB 3.33Å; M120-L124 WeakPolarHBondContact O-CD1 3.4Å; M120-L124 WeakPolarHBondContact O-CG 3.37Å; M120-L124 PolarHBondContact O-N 3.05Å; M120-F168 HydrophobicContact CG-CZ 4.47Å; M120-F168 HydrophobicContact SD-CE1 4.11Å; M120-F168 HydrophobicContact SD-CZ 3.9Å
121L98.7Very high97Very high0 Ų025.9 Ų25.90%014%0.137CC..Hα-helixtrans-60.6-45.6175.1178.760.3000111V31 L34 Y84 L87 I88 F91 E117 V118 L124 L125V31-L121 HydrophobicContact CG1-CD1 4.07Å; V31-L121 HydrophobicContact CG2-CD1 4.46Å; L34-L121 HydrophobicContact CB-CD1 4.46Å; L34-L121 HydrophobicContact CD1-CB 4.44Å; L34-L121 HydrophobicContact CD1-CD1 4.49Å; Y84-L121 HydrophobicContact CE2-CB 4.23Å; Y84-L121 HydrophobicContact CE2-CD2 3.73Å; L87-L121 HydrophobicContact CD2-CD2 4.01Å; L87-L121 HydrophobicContact CG-CD2 4.49Å; I88-L121 HydrophobicContact CD1-CD2 3.69Å; F91-L121 HydrophobicContact CE2-CD2 4.36Å; E117-L121 WeakPolarHBondContact O-CB 3.36Å; E117-L121 PolarHBondContact O-N 3.36Å; V118-L121 PolarHBondContact O-N 3.27Å; L121-L124 PolarHBondContact O-N 3.45Å; L121-L125 HydrophobicContact CD1-CD1 4.03Å; L121-L125 HydrophobicContact CD1-CG 4.17Å; L121-L125 HydrophobicContact CG-CD1 4.01Å; L121-L125 WeakPolarHBondContact O-CB 3.34Å; L121-L125 VanDerWaalsContact O-CG 3.25Å; L121-L125 WeakPolarHBondContact O-CG 3.39Å; L121-L125 PolarHBondContact O-N 3.33Å
122L98.8Very high97.2Very high0 Ų023.3 Ų23.30%013%0.13CC..Hα-helixtrans-63.6-44.8179-69.7175000112.3L87 F91 F104 Y108 V118 I119 M120 L125 K126 L135L87-L122 HydrophobicContact CD1-CD2 4.13Å; L87-L122 HydrophobicContact CD2-CD2 4.36Å; L87-L122 HydrophobicContact CD2-CG 4.21Å; F91-L122 HydrophobicContact CE2-CD2 4.47Å; F91-L122 HydrophobicContact CZ-CD2 4.03Å; F104-L122 HydrophobicContact CD1-CD1 4.45Å; F104-L122 HydrophobicContact CD1-CD2 4.37Å; F104-L122 HydrophobicContact CD2-CD2 4.12Å; F104-L122 HydrophobicContact CE1-CD2 3.96Å; F104-L122 HydrophobicContact CE2-CD2 3.67Å; F104-L122 HydrophobicContact CG-CD2 4.46Å; F104-L122 HydrophobicContact CZ-CD2 3.61Å; Y108-L122 HydrophobicContact CD1-CD1 3.35Å; Y108-L122 HydrophobicContact CE1-CD1 3.77Å; Y108-L122 HydrophobicContact CG-CD1 4.08Å; V118-L122 HydrophobicContact CG1-CD1 4.17Å; V118-L122 WeakPolarHBondContact O-CG 3.32Å; V118-L122 PolarHBondContact O-N 3.31Å; V118-L122 VanDerWaalsContact O-N 3.13Å; I119-L122 PolarHBondContact O-N 2.84Å; M120-L122 VanDerWaalsContact C-N 3.34Å; M120-L122 PolarHBondContact O-N 3.11Å; L122-L125 PolarHBondContact O-N 3.18Å; L122-K126 WeakPolarHBondContact O-CB 3.29Å; L122-K126 PolarHBondContact O-N 2.85Å; L122-L135 HydrophobicContact CB-CD1 4.21Å; L122-L135 HydrophobicContact CB-CD2 4.12Å; L122-L135 HydrophobicContact CD1-CD2 4.39Å; L122-L135 HydrophobicContact CD2-CD2 4.3Å
123L98.7Very high97.5Very high0 Ų022 Ų220%012%0.118CC..Hα-helixtrans-65.7-39.6178-65.1175.3000112.1V53 L54 V57 I119 M120 K126 L127 L135 F168 T171 M175V53-L123 HydrophobicContact CG1-CB 4.35Å; L54-L123 HydrophobicContact CD2-CD1 3.77Å; V57-L123 HydrophobicContact CG1-CD1 4.3Å; V57-L123 HydrophobicContact CG1-CD2 4Å; V57-L123 HydrophobicContact CG2-CB 4.31Å; V57-L123 HydrophobicContact CG2-CD2 3.83Å; I119-L123 HydrophobicContact CD1-CD1 4.39Å; I119-L123 HydrophobicContact CD1-CG 4.22Å; I119-L123 HydrophobicContact CG1-CD1 3.95Å; I119-L123 HydrophobicContact CG1-CG 4.23Å; I119-L123 VanDerWaalsContact O-CG 3.24Å; I119-L123 WeakPolarHBondContact O-CG 3.39Å; I119-L123 PolarHBondContact O-N 3.27Å; M120-L123 PolarHBondContact O-N 3.37Å; L123-K126 WeakPolarHBondContact O-CB 3.42Å; L123-K126 PolarHBondContact O-N 3.28Å; L123-L127 WeakPolarHBondContact O-CG 3.28Å; L123-L127 PolarHBondContact O-N 2.96Å; L123-L135 HydrophobicContact CD2-CD1 4.05Å; L123-F168 HydrophobicContact CD1-CE1 4.47Å; L123-T171 HydrophobicContact CD1-CG2 4.4Å; L123-T171 HydrophobicContact CD2-CG2 4.45Å; L123-M175 HydrophobicContact CD2-CE 4.37Å
124L98.6Very high97.9Very high0 Ų016.4 Ų16.40%09%0.091CC..Hα-helixtrans-65-40.9175.2-70.3166.6000111.8I27 I30 V31 L34 F49 V53 M120 L121 K126 L127 L128I27-L124 HydrophobicContact CB-CD2 4.31Å; I27-L124 HydrophobicContact CD1-CD2 4.35Å; I27-L124 HydrophobicContact CG1-CD2 3.89Å; I27-L124 HydrophobicContact CG2-CB 4.03Å; I27-L124 HydrophobicContact CG2-CD2 3.76Å; I27-L124 HydrophobicContact CG2-CG 4.47Å; I30-L124 HydrophobicContact CG2-CD1 3.97Å; V31-L124 HydrophobicContact CG2-CB 3.69Å; V31-L124 HydrophobicContact CG2-CD1 4.18Å; L34-L124 HydrophobicContact CD1-CD1 3.48Å; L34-L124 VanDerWaalsContact CD1-CD1 3.48Å; F49-L124 HydrophobicContact CE1-CD1 4.27Å; F49-L124 HydrophobicContact CE1-CD2 3.86Å; F49-L124 HydrophobicContact CZ-CD2 3.66Å; V53-L124 HydrophobicContact CG1-CD2 4.02Å; V53-L124 HydrophobicContact CG1-CG 4.41Å; V53-L124 HydrophobicContact CG2-CD2 3.63Å; M120-L124 VanDerWaalsContact O-CB 3.32Å; M120-L124 WeakPolarHBondContact O-CB 3.33Å; M120-L124 WeakPolarHBondContact O-CD1 3.4Å; M120-L124 WeakPolarHBondContact O-CG 3.37Å; M120-L124 PolarHBondContact O-N 3.05Å; L121-L124 PolarHBondContact O-N 3.45Å; L124-K126 VanDerWaalsContact C-N 3.34Å; L124-L127 PolarHBondContact O-N 3.16Å; L124-L128 WeakPolarHBondContact O-CG 3.46Å; L124-L128 PolarHBondContact O-N 3.04Å
125L98.6Very high98Very high3 Ų315.2 Ų15.22%0.0169%0.086CC..Hα-helixtrans-67.2-34.9174.8-69.4171.4000111.8V31 F91 W96 L121 L122 L128 Y129 I133V31-L125 HydrophobicContact CG1-CD2 4.16Å; F91-L125 HydrophobicContact CE2-CD1 3.78Å; F91-L125 HydrophobicContact CZ-CD1 3.84Å; W96-L125 HydrophobicContact CZ3-CD1 4.38Å; L121-L125 HydrophobicContact CD1-CD1 4.03Å; L121-L125 HydrophobicContact CD1-CG 4.17Å; L121-L125 HydrophobicContact CG-CD1 4.01Å; L121-L125 WeakPolarHBondContact O-CB 3.34Å; L121-L125 VanDerWaalsContact O-CG 3.25Å; L121-L125 WeakPolarHBondContact O-CG 3.39Å; L121-L125 PolarHBondContact O-N 3.33Å; L122-L125 PolarHBondContact O-N 3.18Å; L125-L128 PolarHBondContact O-N 2.92Å; L125-Y129 HydrophobicContact CD2-CD2 4.25Å; L125-Y129 HydrophobicContact CD2-CE2 4.04Å; L125-Y129 PolarHBondContact O-N 3.09Å; L125-I133 HydrophobicContact CB-CG1 4.02Å
126K98.4Very high98.2Very high0 Ų015.2 Ų15.20%09%0.086CC..Hα-helixtrans-59.6-44.4171.9177.462.8-178.7175.80111.8V57 T60 E64 L122 L123 L124 Y129 P130 I133 L135V57-K126 HydrophobicContact CG2-CB 4.43Å; V57-K126 HydrophobicContact CG2-CG 4.12Å; T60-K126 HydrophobicContact CG2-CG 4.29Å; E64-K126 IonicContact OE1-NZ 3.81Å; E64-K126 PolarHBondContact OE1-NZ 2.82Å; E64-K126 VanDerWaalsContact OE2-CE 3.22Å; E64-K126 WeakPolarHBondContact OE2-CE 3.5Å; E64-K126 IonicContact OE2-NZ 3.84Å; E64-K126 PolarHBondContact OE2-NZ 2.91Å; E64-K126 VanDerWaalsContact OE2-NZ 3.15Å; L122-K126 WeakPolarHBondContact O-CB 3.29Å; L122-K126 PolarHBondContact O-N 2.85Å; L123-K126 WeakPolarHBondContact O-CB 3.42Å; L123-K126 PolarHBondContact O-N 3.28Å; L124-K126 VanDerWaalsContact C-N 3.34Å; K126-Y129 CarbonylContact O-C 3.55Å; K126-P130 PolarHBondContact NZ-O 3.06Å; K126-P130 WeakPolarHBondContact O-CA 3.27Å; K126-P130 WeakPolarHBondContact O-CD 3.3Å; K126-P130 VanDerWaalsContact O-N 3.1Å; K126-I133 HydrophobicContact CB-CG2 3.97Å; K126-I133 HydrophobicContact CD-CG2 4.3Å; K126-I133 WeakPolarHBondContact CD-O 3.22Å; K126-I133 WeakPolarHBondContact CE-O 3.42Å; K126-I133 PolarHBondContact NZ-O 3.38Å; K126-L135 HydrophobicContact CB-CD1 4.15Å
127L97.8Very high98.3Very high11 Ų1114.3 Ų14.36%0.0588%0.081CC..Hα-helixtrans-66.4-38.2176.9-71.6176.5000112.7M19 I27 V53 D56 V57 T60 L123 L124M19-L127 HydrophobicContact CE-CD1 4.32Å; M19-L127 HydrophobicContact SD-CB 4.03Å; M19-L127 HydrophobicContact SD-CD1 4.24Å; M19-L127 HydrophobicContact SD-CD2 3.9Å; M19-L127 HydrophobicContact SD-CG 4.28Å; I27-L127 HydrophobicContact CD1-CB 4.16Å; I27-L127 HydrophobicContact CD1-CD1 3.89Å; V53-L127 HydrophobicContact CG1-CD1 4Å; D56-L127 HydrophobicContact CB-CD1 4.02Å; D56-L127 HydrophobicContact CB-CD2 4.08Å; V57-L127 HydrophobicContact CB-CD1 4.34Å; V57-L127 HydrophobicContact CB-CD2 4.03Å; V57-L127 HydrophobicContact CB-CG 4.16Å; V57-L127 HydrophobicContact CG2-CD2 4.19Å; V57-L127 HydrophobicContact CG2-CG 4.19Å; T60-L127 WeakPolarHBondContact OG1-CD2 3.37Å; L123-L127 WeakPolarHBondContact O-CG 3.28Å; L123-L127 PolarHBondContact O-N 2.96Å; L124-L127 PolarHBondContact O-N 3.16Å
128L97.6Very high98.3Very high21 Ų2114 Ų1411%0.118%0.079CC..Hα-helixtrans-72-37.8177.8-71.4178.9000113.2L24 I27 R28 V31 L124 L125L24-L128 HydrophobicContact CD2-CD2 4.12Å; I27-L128 HydrophobicContact CB-CD2 4.12Å; I27-L128 HydrophobicContact CG2-CD1 3.81Å; I27-L128 HydrophobicContact CG2-CD2 3.64Å; I27-L128 HydrophobicContact CG2-CG 3.5Å; I27-L128 VanDerWaalsContact CG2-CG 3.5Å; R28-L128 HydrophobicContact CG-CD1 4.01Å; R28-L128 HydrophobicContact CG-CD2 3.73Å; V31-L128 HydrophobicContact CG2-CD1 4.15Å; L124-L128 WeakPolarHBondContact O-CG 3.46Å; L124-L128 PolarHBondContact O-N 3.04Å; L125-L128 PolarHBondContact O-N 2.92Å
129Y97.6Very high98.3Very high58 Ų5814.1 Ų14.123%0.2278%0.08CC..  trans-137.164.1-169.7-44.6-65.7000110.9P97 P98 L125 K126 S131 D132 I133P97-Y129 HydrophobicContact CB-CD2 3.62Å; P97-Y129 HydrophobicContact CB-CE2 4.14Å; P97-Y129 HydrophobicContact CB-CG 4.2Å; P97-Y129 WeakPolarHBondContact O-CE2 3.31Å; P98-Y129 HydrophobicContact CB-CD1 3.82Å; P98-Y129 HydrophobicContact CB-CE1 4.24Å; P98-Y129 HydrophobicContact CB-CG 4.22Å; P98-Y129 HydrophobicContact CG-CD1 3.93Å; P98-Y129 HydrophobicContact CG-CE1 3.84Å; L125-Y129 HydrophobicContact CD2-CD2 4.25Å; L125-Y129 HydrophobicContact CD2-CE2 4.04Å; L125-Y129 PolarHBondContact O-N 3.09Å; K126-Y129 CarbonylContact O-C 3.55Å; Y129-S131 PolarHBondContact O-N 3.26Å; Y129-S131 VanDerWaalsContact O-N 3.09Å; Y129-D132 PolarHBondContact O-N 2.84Å; Y129-I133 PolarHBondContact O-N 2.94Å
130P96.7Very high98.3Very high57 Ų5714.5 Ų14.537%0.378%0.082SC..THydrogen-bonded Turntrans-60.6-24.5-172.922.8-34.1000113.8T60 K126T60-P130 HydrophobicContact CG2-CB 4.2Å; K126-P130 PolarHBondContact NZ-O 3.06Å; K126-P130 WeakPolarHBondContact O-CA 3.27Å; K126-P130 WeakPolarHBondContact O-CD 3.3Å; K126-P130 VanDerWaalsContact O-N 3.1Å
131S96.7Very high98.3Very high84 Ų8414.5 Ų14.559%0.5878%0.082SC*.THydrogen-bonded Turntrans-89.2-7177.1-51.70000114.5Y129 F134Y129-S131 PolarHBondContact O-N 3.26Å; Y129-S131 VanDerWaalsContact O-N 3.09Å; S131-F134 VanDerWaalsContact O-CE2 3.3Å; S131-F134 WeakPolarHBondContact O-CE2 3.22Å; S131-F134 VanDerWaalsContact O-CZ 3.27Å; S131-F134 WeakPolarHBondContact O-CZ 3.47Å
132D98.3Very high98.2Very high39 Ų3915.2 Ų15.221%0.2099%0.085CC..THydrogen-bonded Turntrans-119.6-12.4-176.2-60-69.4000113.3P98 K101 Y102 Y129P98-D132 HydrophobicContact CB-CB 4.43Å; P98-D132 WeakPolarHBondContact CB-OD2 3.27Å; K101-D132 CarbonylContact C-O 3.49Å; K101-D132 VanDerWaalsContact CA-O 3.27Å; K101-D132 WeakPolarHBondContact CA-O 3.47Å; Y102-D132 PolarHBondContact N-O 3.48Å; Y129-D132 PolarHBondContact O-N 2.84Å
133I98.6Very high98.1Very high0 Ų016.8 Ų16.80%010%0.099CC..EExtended strand (participates in β ladder)trans-122.3115.7175.5-67.9-61.4000109.1P97 Y102 L125 K126 Y129 L135P97-I133 HydrophobicContact CB-CD1 4.03Å; P97-I133 HydrophobicContact CB-CG1 4.06Å; P97-I133 HydrophobicContact CG-CD1 3.3Å; P97-I133 HydrophobicContact CG-CG1 3.82Å; Y102-I133 HydrophobicContact CD2-CD1 4.06Å; Y102-I133 HydrophobicContact CG-CD1 4.32Å; L125-I133 HydrophobicContact CB-CG1 4.02Å; K126-I133 HydrophobicContact CB-CG2 3.97Å; K126-I133 HydrophobicContact CD-CG2 4.3Å; K126-I133 WeakPolarHBondContact CD-O 3.22Å; K126-I133 WeakPolarHBondContact CE-O 3.42Å; K126-I133 PolarHBondContact NZ-O 3.38Å; Y129-I133 PolarHBondContact O-N 2.94Å; I133-L135 HydrophobicContact CG2-CD1 4.48Å; I133-L135 HydrophobicContact CG2-CD2 3.98Å; I133-L135 HydrophobicContact CG2-CG 4.05Å
134F98.8Very high97.9Very high19 Ų1920.1 Ų20.18%0.08312%0.12CC..EExtended strand (participates in β ladder)trans-116.3131.8176-58.5-80.7000109.2L68 V70 K101 Y102 L103 F104 S131L68-F134 HydrophobicContact CD1-CB 3.92Å; L68-F134 HydrophobicContact CD1-CD1 3.9Å; L68-F134 HydrophobicContact CD1-CG 4.32Å; V70-F134 HydrophobicContact CG1-CD2 4.06Å; V70-F134 HydrophobicContact CG1-CE2 3.92Å; V70-F134 HydrophobicContact CG2-CD1 4.18Å; V70-F134 HydrophobicContact CG2-CD2 4.14Å; V70-F134 HydrophobicContact CG2-CE1 4.32Å; V70-F134 HydrophobicContact CG2-CE2 4.31Å; V70-F134 HydrophobicContact CG2-CG 4.07Å; V70-F134 HydrophobicContact CG2-CZ 4.38Å; K101-F134 HydrophobicContact CD-CE2 3.8Å; K101-F134 HydrophobicContact CG-CD2 4.18Å; K101-F134 HydrophobicContact CG-CE2 3.77Å; Y102-F134 WeakPolarHBondContact O-CD2 3.29Å; Y102-F134 PolarHBondContact O-N 3.45Å; L103-F134 HydrophobicContact CB-CB 4.46Å; L103-F134 HydrophobicContact CD1-CB 3.59Å; F104-F134 PolarHBondContact N-O 2.96Å; S131-F134 VanDerWaalsContact O-CE2 3.3Å; S131-F134 WeakPolarHBondContact O-CE2 3.22Å; S131-F134 VanDerWaalsContact O-CZ 3.27Å; S131-F134 WeakPolarHBondContact O-CZ 3.47Å
135L98.9Very high97.7Very high0 Ų020.5 Ų20.50%012%0.122CC..EExtended strand (participates in β ladder)trans-125.5109.4-174.4-58178.4000108.4F104 Y108 L122 L123 K126 I133 M175 P176F104-L135 HydrophobicContact CB-CD2 4.07Å; F104-L135 HydrophobicContact CD2-CD2 3.88Å; F104-L135 HydrophobicContact CG-CD2 4.17Å; Y108-L135 HydrophobicContact CE1-CD2 4.23Å; Y108-L135 VanDerWaalsContact OH-CA 3.29Å; Y108-L135 WeakPolarHBondContact OH-CA 3.41Å; Y108-L135 WeakPolarHBondContact OH-CB 3.39Å; L122-L135 HydrophobicContact CB-CD1 4.21Å; L122-L135 HydrophobicContact CB-CD2 4.12Å; L122-L135 HydrophobicContact CD1-CD2 4.39Å; L122-L135 HydrophobicContact CD2-CD2 4.3Å; L123-L135 HydrophobicContact CD2-CD1 4.05Å; K126-L135 HydrophobicContact CB-CD1 4.15Å; I133-L135 HydrophobicContact CG2-CD1 4.48Å; I133-L135 HydrophobicContact CG2-CD2 3.98Å; I133-L135 HydrophobicContact CG2-CG 4.05Å; L135-M175 HydrophobicContact CB-CE 4.01Å; L135-M175 HydrophobicContact CD1-CE 4.23Å; L135-P176 WeakPolarHBondContact O-CD 3.23Å
136L98.9Very high97.6Very high0 Ų020.3 Ų20.30%012%0.122CC..  trans-83.4163.2170.9-59.2-172.8000110.5L68 L103 F104 L105 Y108 P176 A179L68-L136 HydrophobicContact CD1-CD2 3.72Å; L68-L136 HydrophobicContact CG-CD2 4.38Å; L103-L136 HydrophobicContact CD1-CD1 4.21Å; L103-L136 HydrophobicContact CD1-CD2 4.28Å; L103-L136 HydrophobicContact CD1-CG 3.88Å; F104-L136 WeakPolarHBondContact O-CB 3.23Å; F104-L136 PolarHBondContact O-N 3.46Å; L105-L136 HydrophobicContact CD2-CD1 3.8Å; Y108-L136 WeakPolarHBondContact CE2-O 3.42Å; Y108-L136 VanDerWaalsContact CZ-O 3.26Å; Y108-L136 PolarHBondContact OH-N 3.44Å; Y108-L136 VanDerWaalsContact OH-N 3.16Å; Y108-L136 PolarHBondContact OH-O 3.17Å; L136-P176 CarbonylContact C-O 3.57Å; L136-P176 WeakPolarHBondContact CA-O 3.27Å; L136-P176 HydrophobicContact CD2-CB 3.96Å; L136-A179 HydrophobicContact CD1-CB 4.36Å; L136-A179 HydrophobicContact CD2-CB 4.31Å
137R98.8Very high97.5Very high2 Ų226.3 Ų26.31%0.00814%0.144CC..  trans-84.7129.8173.4-161.9179.5-176164.88.4110.1E141 F172 N173 M175 P176 L177 M209 L221R137-E141 HydrophobicContact CG-CB 3.84Å; R137-E141 VanDerWaalsContact CZ-O 3.32Å; R137-E141 PolarHBondContact NE-O 2.97Å; R137-E141 PolarHBondContact NH2-O 3.14Å; R137-F172 WeakPolarHBondContact CD-O 3.24Å; R137-F172 VanDerWaalsContact CZ-O 3.25Å; R137-F172 PolarHBondContact NE-O 2.88Å; R137-F172 PolarHBondContact NH1-O 2.9Å; R137-N173 PolarHBondContact NH1-OD1 3.26Å; R137-N173 PolarHBondContact NH2-OD1 3.2Å; R137-M175 HydrophobicContact CB-CB 3.83Å; R137-M175 HydrophobicContact CG-CB 4.22Å; R137-P176 PolarHBondContact N-O 3.5Å; R137-L177 HydrophobicContact CB-CD2 4.07Å; R137-M209 PolarHBondContact NH1-O 3.19Å; R137-L221 HydrophobicContact CB-CD2 4.48Å; R137-L221 WeakPolarHBondContact O-CD2 3.45Å
138G98.6Very high97.2Very high0 Ų032.5 Ų32.50%017%0.168CC..  trans-93.1178.2166.500000112.9D107 H140 E141 H189D107-G138 VanDerWaalsContact OD1-CA 3.32Å; D107-G138 WeakPolarHBondContact OD1-CA 3.13Å; G138-H140 VanDerWaalsContact C-N 3.27Å; G138-H140 PolarHBondContact O-N 2.82Å; G138-E141 WeakPolarHBondContact CA-OE2 3.27Å; G138-E141 PolarHBondContact N-OE2 3.35Å; G138-E141 PolarHBondContact O-N 3.33Å; G138-H189 VanDerWaalsContact CA-CG 3.5Å
139N97.8Very high97Very high3 Ų334.7 Ų34.72%0.01618%0.175CC..SBendtrans-76.3-15.9176.568.3-63.9000112.8D107 I142 V145 H189 L221 W222 H265D107-N139 PolarHBondContact OD1-N 2.66Å; D107-N139 PolarHBondContact OD1-OD1 3.28Å; D107-N139 PolarHBondContact OD2-OD1 3.08Å; N139-I142 WeakPolarHBondContact O-CD1 3.33Å; N139-I142 VanDerWaalsContact O-CG1 3.22Å; N139-I142 WeakPolarHBondContact O-CG1 3.36Å; N139-V145 WeakPolarHBondContact O-CG2 3.22Å; N139-H189 PolarHBondContact N-CD2 3.22Å; N139-H189 VanDerWaalsContact N-CD2 3.27Å; N139-H189 PolarHBondContact OD1-CD2 3.04Å; N139-H189 VanDerWaalsContact OD1-CD2 3.27Å; N139-H189 PolarHBondContact OD1-NE2 2.88Å; N139-L221 HydrophobicContact CB-CB 4.17Å; N139-L221 WeakPolarHBondContact CB-O 3.42Å; N139-W222 HydrophobicContact CB-CD2 3.85Å; N139-W222 VanDerWaalsContact CB-CE2 3.47Å; N139-W222 HydrophobicContact CB-CE3 4.4Å; N139-W222 HydrophobicContact CB-CG 4.27Å; N139-W222 HydrophobicContact CB-CH2 4.33Å; N139-W222 HydrophobicContact CB-CZ2 3.75Å; N139-W222 WeakPolarHBondContact ND2-CH2 3.26Å; N139-W222 WeakPolarHBondContact ND2-CZ2 3.3Å; N139-W222 VanDerWaalsContact ND2-CZ3 3.3Å; N139-W222 WeakPolarHBondContact ND2-CZ3 3.4Å; N139-H265 PolarHBondContact ND2-CE1 3.43Å; N139-H265 PolarHBondContact OD1-CE1 2.94Å; N139-H265 PolarHBondContact OD1-ND1 3.14Å; N139-H265 VanDerWaalsContact OD1-ND1 3.11Å
140H98Very high96.7Very high7 Ų732.8 Ų32.83%0.03217%0.173CC..SBendtrans-82-19.8172.4-80-99.8000113.3H81 D107 D110 G138 I142 V145 N146H81-H140 AromaticContact CE1-CD2 3.45Å; H81-H140 PolarHBondContact CE1-CD2 2.55Å; H81-H140 VanDerWaalsContact CE1-CD2 3.45Å; H81-H140 AromaticContact CE1-CE1 3.87Å; H81-H140 AromaticContact CE1-CG 3.61Å; H81-H140 AromaticContact CE1-ND1 3.88Å; H81-H140 AromaticContact CE1-NE2 3.64Å; D107-H140 HydrophobicContact CB-CB 4.46Å; D107-H140 WeakPolarHBondContact OD1-CB 3.42Å; D107-H140 IonicContact OD1-CD2 3.56Å; D107-H140 IonicContact OD1-CG 3.74Å; D107-H140 PolarHBondContact OD1-N 2.97Å; D107-H140 IonicContact OD2-CD2 3.9Å; D107-H140 PolarHBondContact OD2-CD2 3.16Å; D107-H140 VanDerWaalsContact OD2-CD2 3.25Å; D110-H140 VanDerWaalsContact CB-ND1 3.28Å; D110-H140 WeakPolarHBondContact CB-ND1 3.17Å; D110-H140 IonicContact OD2-CE1 2.92Å; D110-H140 IonicContact OD2-CG 3.68Å; D110-H140 IonicContact OD2-ND1 3.79Å; D110-H140 PolarHBondContact OD2-ND1 3.44Å; G138-H140 VanDerWaalsContact C-N 3.27Å; G138-H140 PolarHBondContact O-N 2.82Å; H140-I142 PolarHBondContact O-N 2.89Å; H140-V145 HydrophobicContact CB-CG1 4.32Å; H140-V145 VanDerWaalsContact ND1-CG1 3.33Å; H140-V145 WeakPolarHBondContact ND1-CG1 3.33Å; H140-N146 WeakPolarHBondContact O-CB 3.18Å; H140-N146 PolarHBondContact O-ND2 3.45Å; H140-N146 VanDerWaalsContact O-ND2 3.09Å
141E98.5Very high96.7Very high0 Ų030 Ų300%016%0.155CC..SBendtrans-78.737.6170.9-72.474.5-133.400112.7D107 Y108 I109 R137 G138 F172 M175D107-E141 PolarHBondContact N-OE2 2.86Å; Y108-E141 HydrophobicContact CD2-CG 3.74Å; Y108-E141 VanDerWaalsContact CD2-OE1 3.32Å; Y108-E141 WeakPolarHBondContact CD2-OE1 3.13Å; Y108-E141 HydrophobicContact CE2-CG 4.14Å; Y108-E141 PolarHBondContact N-OE1 3.13Å; I109-E141 WeakPolarHBondContact CG1-OE1 3.44Å; I109-E141 PolarHBondContact N-OE1 2.58Å; R137-E141 HydrophobicContact CG-CB 3.84Å; R137-E141 VanDerWaalsContact CZ-O 3.32Å; R137-E141 PolarHBondContact NE-O 2.97Å; R137-E141 PolarHBondContact NH2-O 3.14Å; G138-E141 WeakPolarHBondContact CA-OE2 3.27Å; G138-E141 PolarHBondContact N-OE2 3.35Å; G138-E141 PolarHBondContact O-N 3.33Å; E141-F172 HydrophobicContact CB-CB 3.97Å; E141-F172 HydrophobicContact CB-CD1 4.04Å; E141-F172 HydrophobicContact CB-CD2 4.11Å; E141-F172 HydrophobicContact CB-CG 3.78Å; E141-F172 HydrophobicContact CG-CD1 3.74Å; E141-F172 HydrophobicContact CG-CD2 4.3Å; E141-F172 HydrophobicContact CG-CE1 3.9Å; E141-F172 HydrophobicContact CG-CE2 4.44Å; E141-F172 HydrophobicContact CG-CG 3.97Å; E141-F172 HydrophobicContact CG-CZ 4.26Å; E141-F172 WeakPolarHBondContact O-CB 3.26Å; E141-M175 HydrophobicContact CG-SD 4.28Å
142I97.2Very high96.6Very high15 Ų1528.4 Ų28.48%0.07714%0.138CC..SBendtrans-129.3139.9172.178.3-172.6000111.2N139 H140 V145 N146 V211 L221 W222N139-I142 WeakPolarHBondContact O-CD1 3.33Å; N139-I142 VanDerWaalsContact O-CG1 3.22Å; N139-I142 WeakPolarHBondContact O-CG1 3.36Å; H140-I142 PolarHBondContact O-N 2.89Å; I142-V145 HydrophobicContact CD1-CG2 3.61Å; I142-V145 HydrophobicContact CG1-CB 3.86Å; I142-V145 HydrophobicContact CG1-CG2 3.5Å; I142-V145 VanDerWaalsContact CG1-CG2 3.5Å; I142-V145 PolarHBondContact O-N 3.27Å; I142-N146 PolarHBondContact O-N 3.2Å; I142-N146 VanDerWaalsContact O-N 3.1Å; I142-N146 PolarHBondContact O-ND2 3.04Å; I142-N146 VanDerWaalsContact O-ND2 3.16Å; I142-V211 HydrophobicContact CG2-CB 4.16Å; I142-V211 HydrophobicContact CG2-CG2 3.59Å; I142-L221 HydrophobicContact CG2-CD1 4.46Å; I142-W222 HydrophobicContact CD1-CZ2 4.21Å
143A96.3Very high96.4Very high34 Ų3430.5 Ų30.528%0.28115%0.152SC..Hα-helixtrans-57.2-39-173.600000114.5V145 R147 W165 Q169A143-V145 PolarHBondContact O-N 3.25Å; A143-R147 WeakPolarHBondContact O-CB 3.44Å; A143-R147 PolarHBondContact O-N 3.37Å; A143-W165 HydrophobicContact CB-CH2 3.99Å; A143-W165 HydrophobicContact CB-CZ2 4.08Å; A143-Q169 VanDerWaalsContact CA-OE1 3.23Å; A143-Q169 HydrophobicContact CB-CG 3.87Å
144P94.5Very high96.2Very high70 Ų7032.7 Ų32.746%0.45516%0.162SC..Hα-helixtrans-60.8-27.6175.2-27.536.2000114.7Y148P144-Y148 WeakPolarHBondContact O-CD2 3.2Å; P144-Y148 WeakPolarHBondContact O-CE2 3.05Å
145V95.8Very high95.9Very high7 Ų732 Ų324%0.04216%0.159CC..Hα-helixtrans-90.1-60.9-177.4178.40000109.7N139 H140 I142 A143 R147 Y148 Y149 W222N139-V145 WeakPolarHBondContact O-CG2 3.22Å; H140-V145 HydrophobicContact CB-CG1 4.32Å; H140-V145 VanDerWaalsContact ND1-CG1 3.33Å; H140-V145 WeakPolarHBondContact ND1-CG1 3.33Å; I142-V145 HydrophobicContact CD1-CG2 3.61Å; I142-V145 HydrophobicContact CG1-CB 3.86Å; I142-V145 HydrophobicContact CG1-CG2 3.5Å; I142-V145 VanDerWaalsContact CG1-CG2 3.5Å; I142-V145 PolarHBondContact O-N 3.27Å; A143-V145 PolarHBondContact O-N 3.25Å; V145-R147 PolarHBondContact O-N 2.92Å; V145-Y148 PolarHBondContact O-N 2.9Å; V145-Y149 HydrophobicContact CB-CD2 4.43Å; V145-Y149 HydrophobicContact CG1-CD2 3.57Å; V145-Y149 HydrophobicContact CG1-CE2 4.06Å; V145-Y149 HydrophobicContact CG1-CG 4.46Å; V145-Y149 VanDerWaalsContact O-CD2 3.27Å; V145-Y149 WeakPolarHBondContact O-CD2 3.44Å; V145-Y149 PolarHBondContact O-N 2.87Å; V145-W222 HydrophobicContact CG2-CH2 4.11Å; V145-W222 HydrophobicContact CG2-CZ2 3.71Å
146N96.5Very high95.5Very high0 Ų038 Ų380%019%0.189CC..Hα-helixtrans-67.7-5.5-174.96747.4000115.5I109 D110 H140 I142 Y148 F151 K152 W165 Q169I109-N146 HydrophobicContact CD1-CB 3.62Å; D110-N146 WeakPolarHBondContact OD1-CA 3.35Å; D110-N146 WeakPolarHBondContact OD2-CA 3.28Å; D110-N146 WeakPolarHBondContact OD2-CB 3.41Å; H140-N146 WeakPolarHBondContact O-CB 3.18Å; H140-N146 PolarHBondContact O-ND2 3.45Å; H140-N146 VanDerWaalsContact O-ND2 3.09Å; I142-N146 PolarHBondContact O-N 3.2Å; I142-N146 VanDerWaalsContact O-N 3.1Å; I142-N146 PolarHBondContact O-ND2 3.04Å; I142-N146 VanDerWaalsContact O-ND2 3.16Å; N146-Y148 VanDerWaalsContact C-N 3.28Å; N146-F151 HydrophobicContact CB-CB 4.12Å; N146-F151 HydrophobicContact CB-CD1 4.42Å; N146-K152 WeakPolarHBondContact O-CB 2.79Å; N146-K152 PolarHBondContact O-N 3.14Å; N146-K152 VanDerWaalsContact O-N 3.11Å; N146-W165 WeakPolarHBondContact OD1-CZ2 3.23Å; N146-W165 PolarHBondContact OD1-NE1 3.27Å; N146-Q169 PolarHBondContact ND2-NE2 3.47Å; N146-Q169 PolarHBondContact ND2-OE1 3.4Å; N146-Q169 PolarHBondContact OD1-NE2 3.31Å; N146-Q169 PolarHBondContact OD1-OE1 3.32Å
147R95.2Very high94.6Very high125 Ų12542.1 Ų42.147%0.47223%0.231SC..THydrogen-bonded Turntrans-65.2-30.3165.1-178.5171.9-170.1165.82.4113A143 V145 K152 W165A143-R147 WeakPolarHBondContact O-CB 3.44Å; A143-R147 PolarHBondContact O-N 3.37Å; V145-R147 PolarHBondContact O-N 2.92Å; R147-K152 HydrophobicContact CB-CD 4.38Å; R147-K152 HydrophobicContact CG-CD 3.93Å; R147-W165 HydrophobicContact CB-CH2 4.45Å; R147-W165 HydrophobicContact CB-CZ2 3.9Å
148Y92.9Very high93.8Very high141 Ų14143.9 Ų43.955%0.55324%0.241SC*.THydrogen-bonded Turntrans-117.5-25-168.5-59.9-68.1000114.7P144 V145 N146P144-Y148 WeakPolarHBondContact O-CD2 3.2Å; P144-Y148 WeakPolarHBondContact O-CE2 3.05Å; V145-Y148 PolarHBondContact O-N 2.9Å; N146-Y148 VanDerWaalsContact C-N 3.28Å
149Y92.3Very high93.3Very high67 Ų6752 Ų5226%0.26328%0.279SS..SBendtrans-99.32-168.1-68.2-81.2000115.8R111 V145 L329R111-Y149 PolarHBondContact N-O 2.93Å; V145-Y149 HydrophobicContact CB-CD2 4.43Å; V145-Y149 HydrophobicContact CG1-CD2 3.57Å; V145-Y149 HydrophobicContact CG1-CE2 4.06Å; V145-Y149 HydrophobicContact CG1-CG 4.46Å; V145-Y149 VanDerWaalsContact O-CD2 3.27Å; V145-Y149 WeakPolarHBondContact O-CD2 3.44Å; V145-Y149 PolarHBondContact O-N 2.87Å; Y149-L329 HydrophobicContact CE2-CD1 4.25Å
150G91.5Very high92.8Very high18 Ų1857 Ų5719%0.18630%0.298CS..SBendtrans150.5-45.9166.400000114.4D110 K152 T153 E154D110-G150 PolarHBondContact OD1-N 2.74Å; D110-G150 VanDerWaalsContact OD1-N 3.09Å; G150-K152 PolarHBondContact O-N 2.77Å; G150-T153 CarbonylContact O-C 3.57Å; G150-T153 WeakPolarHBondContact O-CA 3.32Å; G150-T153 WeakPolarHBondContact O-CB 3.2Å; G150-T153 PolarHBondContact O-N 3.48Å; G150-E154 PolarHBondContact O-N 3.19Å
151F96.5Very high92.4Very high0 Ų057.7 Ų57.70%030%0.303CS..Hα-helixtrans-61.9-47.4-167.4-177-127.2000113I109 D110 N115 I119 N146 T153 E154 L155 F168 F172I109-F151 HydrophobicContact CB-CB 4.14Å; I109-F151 HydrophobicContact CB-CD2 4.19Å; I109-F151 HydrophobicContact CB-CG 4.12Å; I109-F151 HydrophobicContact CD1-CB 3.81Å; I109-F151 HydrophobicContact CD1-CD1 3.45Å; I109-F151 VanDerWaalsContact CD1-CD1 3.45Å; I109-F151 HydrophobicContact CD1-CD2 4.4Å; I109-F151 HydrophobicContact CD1-CE1 4.06Å; I109-F151 HydrophobicContact CD1-CG 3.64Å; I109-F151 HydrophobicContact CG1-CB 4.37Å; I109-F151 HydrophobicContact CG1-CG 4.43Å; I109-F151 HydrophobicContact CG2-CD2 4.01Å; I109-F151 HydrophobicContact CG2-CE2 4.17Å; I109-F151 HydrophobicContact CG2-CG 4.31Å; D110-F151 VanDerWaalsContact OD1-CB 3.31Å; D110-F151 WeakPolarHBondContact OD1-CB 3.32Å; D110-F151 PolarHBondContact OD1-N 2.87Å; N115-F151 HydrophobicContact CB-CD2 3.66Å; N115-F151 HydrophobicContact CB-CE2 4.32Å; I119-F151 HydrophobicContact CG2-CE2 4.39Å; I119-F151 HydrophobicContact CG2-CZ 4.49Å; N146-F151 HydrophobicContact CB-CB 4.12Å; N146-F151 HydrophobicContact CB-CD1 4.42Å; F151-T153 VanDerWaalsContact C-N 3.28Å; F151-T153 PolarHBondContact O-N 2.91Å; F151-E154 WeakPolarHBondContact O-CB 3.41Å; F151-E154 PolarHBondContact O-N 3.14Å; F151-L155 HydrophobicContact CE1-CD1 4.1Å; F151-L155 HydrophobicContact CE2-CD1 4.3Å; F151-L155 HydrophobicContact CE2-CG 4.46Å; F151-L155 HydrophobicContact CZ-CD1 3.99Å; F151-L155 WeakPolarHBondContact O-CG 3.33Å; F151-L155 PolarHBondContact O-N 3.09Å; F151-F168 HydrophobicContact CE1-CB 3.79Å; F151-F168 HydrophobicContact CE1-CD1 4.36Å; F151-F168 AromaticContact CE1-CD2 3.88Å; F151-F168 HydrophobicContact CE1-CD2 3.88Å; F151-F168 AromaticContact CE1-CG 3.77Å; F151-F168 HydrophobicContact CE1-CG 3.77Å; F151-F168 HydrophobicContact CZ-CB 4.21Å; F151-F168 AromaticContact CZ-CD1 3.98Å; F151-F168 HydrophobicContact CZ-CD1 3.98Å; F151-F168 AromaticContact CZ-CD2 3.53Å; F151-F168 HydrophobicContact CZ-CD2 3.53Å; F151-F168 HydrophobicContact CZ-CE1 4.21Å; F151-F168 AromaticContact CZ-CE2 3.81Å; F151-F168 HydrophobicContact CZ-CE2 3.81Å; F151-F168 AromaticContact CZ-CG 3.65Å; F151-F168 HydrophobicContact CZ-CG 3.65Å; F151-F168 HydrophobicContact CZ-CZ 4.14Å; F151-F172 HydrophobicContact CD1-CE2 4.45Å; F151-F172 HydrophobicContact CE1-CE2 4.06Å; F151-F172 HydrophobicContact CE1-CZ 4.15Å
152K95.3Very high92.1Very high49 Ų4965.9 Ų65.921%0.21334%0.339CS..Hα-helixtrans-60.3-41.2176.1-170.9174.9-177168.70112N146 R147 G150 L155 M156 W165N146-K152 WeakPolarHBondContact O-CB 2.79Å; N146-K152 PolarHBondContact O-N 3.14Å; N146-K152 VanDerWaalsContact O-N 3.11Å; R147-K152 HydrophobicContact CB-CD 4.38Å; R147-K152 HydrophobicContact CG-CD 3.93Å; G150-K152 PolarHBondContact O-N 2.77Å; K152-L155 PolarHBondContact O-N 2.72Å; K152-M156 WeakPolarHBondContact O-CG 3.47Å; K152-M156 PolarHBondContact O-N 3.26Å; K152-W165 HydrophobicContact CB-CG 4.32Å; K152-W165 HydrophobicContact CD-CD2 3.98Å; K152-W165 HydrophobicContact CD-CE3 4.45Å; K152-W165 HydrophobicContact CD-CG 4.31Å; K152-W165 HydrophobicContact CD-CZ2 4.23Å; K152-W165 HydrophobicContact CG-CD2 4.18Å; K152-W165 HydrophobicContact CG-CG 3.97Å
153T93.6Very high92.1Very high84 Ų8468.8 Ų68.852%0.51536%0.357SS..Hα-helixtrans-64.4-41.4179-55.60000111.3G150 F151 L155 M156G150-T153 CarbonylContact O-C 3.57Å; G150-T153 WeakPolarHBondContact O-CA 3.32Å; G150-T153 WeakPolarHBondContact O-CB 3.2Å; G150-T153 PolarHBondContact O-N 3.48Å; F151-T153 VanDerWaalsContact C-N 3.28Å; F151-T153 PolarHBondContact O-N 2.91Å; T153-L155 PolarHBondContact O-N 3.41Å; T153-M156 VanDerWaalsContact O-CB 3.31Å; T153-M156 WeakPolarHBondContact O-CB 3.33Å; T153-M156 PolarHBondContact O-N 2.76Å
154E93.6Very high92.1Very high45 Ų4567.1 Ų67.121%0.2134%0.343CS..Hα-helixtrans-58.4-38.3175.2-176.5178.5133.600111.8N115 L116 G150 F151 M156N115-E154 WeakPolarHBondContact CB-OE2 3.37Å; N115-E154 VanDerWaalsContact CG-OE2 3.32Å; N115-E154 PolarHBondContact N-OE1 2.99Å; N115-E154 PolarHBondContact N-OE2 2.85Å; N115-E154 VanDerWaalsContact N-OE2 3.12Å; N115-E154 PolarHBondContact ND2-OE2 3.1Å; L116-E154 VanDerWaalsContact CB-OE1 3.29Å; L116-E154 WeakPolarHBondContact CB-OE1 3.29Å; L116-E154 PolarHBondContact N-OE1 3.34Å; G150-E154 PolarHBondContact O-N 3.19Å; F151-E154 WeakPolarHBondContact O-CB 3.41Å; F151-E154 PolarHBondContact O-N 3.14Å; E154-M156 VanDerWaalsContact C-N 3.32Å; E154-M156 PolarHBondContact O-N 2.78Å
155L94Very high92.2Very high5 Ų565.3 Ų65.33%0.02633%0.327CS..Hα-helixtrans-73.1-19.3176.8-62.4177.2000113.4L116 F151 K152 T153 G157 N158 T161 L164 W165 F168L116-L155 HydrophobicContact CD1-CD2 4.34Å; L116-L155 HydrophobicContact CD2-CD2 4.31Å; F151-L155 HydrophobicContact CE1-CD1 4.1Å; F151-L155 HydrophobicContact CE2-CD1 4.3Å; F151-L155 HydrophobicContact CE2-CG 4.46Å; F151-L155 HydrophobicContact CZ-CD1 3.99Å; F151-L155 WeakPolarHBondContact O-CG 3.33Å; F151-L155 PolarHBondContact O-N 3.09Å; K152-L155 PolarHBondContact O-N 2.72Å; T153-L155 PolarHBondContact O-N 3.41Å; L155-G157 PolarHBondContact O-N 2.68Å; L155-G157 VanDerWaalsContact O-N 3.07Å; L155-N158 WeakPolarHBondContact O-CB 3.48Å; L155-N158 PolarHBondContact O-N 3.12Å; L155-T161 HydrophobicContact CB-CG2 4.01Å; L155-T161 PolarHBondContact O-OG1 3.31Å; L155-L164 HydrophobicContact CD1-CB 4.37Å; L155-W165 HydrophobicContact CD1-CB 3.94Å; L155-F168 HydrophobicContact CD1-CD2 4.32Å
156M89.7Confident92.3Very high127 Ų12768.2 Ų68.263%0.62635%0.345SS*.THydrogen-bonded Turntrans-59.7-22.4-172.2-73.7-178.56700115.1K152 T153 E154 N158 T161K152-M156 WeakPolarHBondContact O-CG 3.47Å; K152-M156 PolarHBondContact O-N 3.26Å; T153-M156 VanDerWaalsContact O-CB 3.31Å; T153-M156 WeakPolarHBondContact O-CB 3.33Å; T153-M156 PolarHBondContact O-N 2.76Å; E154-M156 VanDerWaalsContact C-N 3.32Å; E154-M156 PolarHBondContact O-N 2.78Å; M156-N158 PolarHBondContact O-N 2.75Å; M156-T161 VanDerWaalsContact CA-OG1 3.22Å; M156-T161 WeakPolarHBondContact CA-OG1 3.48Å; M156-T161 HydrophobicContact CG-CG2 4.2Å
157G80.8Confident92.4Very high85 Ų8570.3 Ų70.388%0.87635%0.353SS*.THydrogen-bonded Turntrans-71.8-6.8173.700000114.1L155L155-G157 PolarHBondContact O-N 2.68Å; L155-G157 VanDerWaalsContact O-N 3.07Å
158N80.8Confident92.5Very high39 Ų3964.4 Ų64.421%0.20933%0.331CS..SBendtrans-102.7129.1-175.9-166.8-42.6000110.6N47 L155 M156 Y160 T161 L164N47-N158 PolarHBondContact ND2-ND2 3.42Å; N47-N158 PolarHBondContact ND2-OD1 3.16Å; N47-N158 PolarHBondContact OD1-ND2 2.61Å; L155-N158 WeakPolarHBondContact O-CB 3.48Å; L155-N158 PolarHBondContact O-N 3.12Å; M156-N158 PolarHBondContact O-N 2.75Å; N158-Y160 PolarHBondContact O-N 2.96Å; N158-Y160 WeakPolarHBondContact OD1-CB 3.36Å; N158-Y160 PolarHBondContact OD1-N 3.04Å; N158-T161 WeakPolarHBondContact O-CB 3.44Å; N158-T161 PolarHBondContact O-N 2.87Å; N158-T161 PolarHBondContact O-OG1 2.83Å; N158-L164 WeakPolarHBondContact ND2-CD1 3.35Å
159E88.2Confident92.8Very high172 Ų17258.4 Ų58.480%0.80431%0.308SS*.THydrogen-bonded Turntrans-57.9-22.6177.770.1-174.7148.100113.1
160Y88.2Confident93Very high107 Ų10758 Ų5842%0.4231%0.313SS..THydrogen-bonded Turntrans-93.712.7176.5-60.7-92.5000113.9N47 N158 K162 V163 L164N47-Y160 HydrophobicContact CB-CD2 4.29Å; N47-Y160 WeakPolarHBondContact ND2-CD2 3.2Å; N158-Y160 PolarHBondContact O-N 2.96Å; N158-Y160 WeakPolarHBondContact OD1-CB 3.36Å; N158-Y160 PolarHBondContact OD1-N 3.04Å; Y160-K162 VanDerWaalsContact C-N 3.25Å; Y160-K162 PolarHBondContact O-N 2.91Å; Y160-V163 PolarHBondContact O-N 3.43Å; Y160-L164 PolarHBondContact O-N 2.82Å
161T89.2Confident93.4Very high22 Ų2257.2 Ų57.214%0.13530%0.304CS..Hα-helixtrans-41.3-52.1-176.8-59.70000112.6L155 M156 N158 V163 W165L155-T161 HydrophobicContact CB-CG2 4.01Å; L155-T161 PolarHBondContact O-OG1 3.31Å; M156-T161 VanDerWaalsContact CA-OG1 3.22Å; M156-T161 WeakPolarHBondContact CA-OG1 3.48Å; M156-T161 HydrophobicContact CG-CG2 4.2Å; N158-T161 WeakPolarHBondContact O-CB 3.44Å; N158-T161 PolarHBondContact O-N 2.87Å; N158-T161 PolarHBondContact O-OG1 2.83Å; T161-V163 PolarHBondContact O-N 3.5Å; T161-W165 WeakPolarHBondContact O-CB 3.37Å; T161-W165 PolarHBondContact O-N 2.96Å
162K92.7Very high93.5Very high172 Ų17257.2 Ų57.275%0.74830%0.304SS*.Hα-helixtrans-63.6-43.8-175.7-174.1-179.3177.8-175.50111.3Y160 T166Y160-K162 VanDerWaalsContact C-N 3.25Å; Y160-K162 PolarHBondContact O-N 2.91Å; K162-T166 VanDerWaalsContact O-CB 3.28Å; K162-T166 WeakPolarHBondContact O-CB 3.41Å; K162-T166 PolarHBondContact O-N 2.86Å; K162-T166 VanDerWaalsContact O-N 3.12Å; K162-T166 PolarHBondContact O-OG1 2.87Å; K162-T166 VanDerWaalsContact O-OG1 3.06Å
163V96.1Very high93.6Very high75 Ų7556.7 Ų56.746%0.45530%0.304SS..Hα-helixtrans-66.6-50.4-179.51780000110.1L51 Y160 T161 T166 R167L51-V163 HydrophobicContact CD2-CG1 4.23Å; Y160-V163 PolarHBondContact O-N 3.43Å; T161-V163 PolarHBondContact O-N 3.5Å; V163-T166 PolarHBondContact O-N 3.22Å; V163-R167 WeakPolarHBondContact O-CB 3.42Å; V163-R167 WeakPolarHBondContact O-CG 3.25Å; V163-R167 PolarHBondContact O-N 2.89Å
164L96.9Very high93.9Very high0 Ų052.8 Ų52.80%028%0.28CS..Hα-helixtrans-61.2-52.5-179.7-67.8174.7000111.1I50 L51 L155 N158 Y160 T166 R167 F168I50-L164 HydrophobicContact CB-CD2 4.29Å; I50-L164 HydrophobicContact CG2-CD2 3.9Å; L51-L164 HydrophobicContact CD2-CD2 4.02Å; L51-L164 HydrophobicContact CG-CD2 4.08Å; L155-L164 HydrophobicContact CD1-CB 4.37Å; N158-L164 WeakPolarHBondContact ND2-CD1 3.35Å; Y160-L164 PolarHBondContact O-N 2.82Å; L164-T166 VanDerWaalsContact C-N 3.33Å; L164-T166 PolarHBondContact O-N 3.21Å; L164-R167 PolarHBondContact O-N 2.91Å; L164-R167 VanDerWaalsContact O-N 3.09Å; L164-F168 WeakPolarHBondContact O-CD2 3.34Å; L164-F168 PolarHBondContact O-N 3.08Å
165W97.4Very high94.1Very high31 Ų3150.7 Ų50.712%0.11727%0.27CS..Hα-helixtrans-59.6-43.7-178-177.475.5000111.8A143 N146 R147 K152 L155 T161 F168 Q169A143-W165 HydrophobicContact CB-CH2 3.99Å; A143-W165 HydrophobicContact CB-CZ2 4.08Å; N146-W165 WeakPolarHBondContact OD1-CZ2 3.23Å; N146-W165 PolarHBondContact OD1-NE1 3.27Å; R147-W165 HydrophobicContact CB-CH2 4.45Å; R147-W165 HydrophobicContact CB-CZ2 3.9Å; K152-W165 HydrophobicContact CB-CG 4.32Å; K152-W165 HydrophobicContact CD-CD2 3.98Å; K152-W165 HydrophobicContact CD-CE3 4.45Å; K152-W165 HydrophobicContact CD-CG 4.31Å; K152-W165 HydrophobicContact CD-CZ2 4.23Å; K152-W165 HydrophobicContact CG-CD2 4.18Å; K152-W165 HydrophobicContact CG-CG 3.97Å; L155-W165 HydrophobicContact CD1-CB 3.94Å; T161-W165 WeakPolarHBondContact O-CB 3.37Å; T161-W165 PolarHBondContact O-N 2.96Å; W165-F168 PolarHBondContact O-N 3.02Å; W165-Q169 HydrophobicContact CD2-CG 4.37Å; W165-Q169 HydrophobicContact CE3-CG 4.48Å; W165-Q169 HydrophobicContact CH2-CG 4.35Å; W165-Q169 HydrophobicContact CZ2-CG 4.22Å; W165-Q169 HydrophobicContact CZ3-CG 4.47Å; W165-Q169 VanDerWaalsContact O-CG 3.28Å; W165-Q169 WeakPolarHBondContact O-CG 3.23Å; W165-Q169 PolarHBondContact O-N 3.23Å; W165-Q169 VanDerWaalsContact O-N 3.13Å; W165-Q169 PolarHBondContact O-NE2 2.87Å; W165-Q169 VanDerWaalsContact O-NE2 3.09Å
166T97.1Very high94.4Very high69 Ų6950.5 Ų50.542%0.42327%0.269SS..Hα-helixtrans-63.6-40175.6-68.70000112.2K162 V163 L164 Q169 T170K162-T166 VanDerWaalsContact O-CB 3.28Å; K162-T166 WeakPolarHBondContact O-CB 3.41Å; K162-T166 PolarHBondContact O-N 2.86Å; K162-T166 VanDerWaalsContact O-N 3.12Å; K162-T166 PolarHBondContact O-OG1 2.87Å; K162-T166 VanDerWaalsContact O-OG1 3.06Å; V163-T166 PolarHBondContact O-N 3.22Å; L164-T166 VanDerWaalsContact C-N 3.33Å; L164-T166 PolarHBondContact O-N 3.21Å; T166-Q169 PolarHBondContact O-N 2.87Å; T166-T170 PolarHBondContact O-N 3.44Å; T166-T170 PolarHBondContact O-OG1 3.25Å
167R97.8Very high94.8Very high44 Ų4444.5 Ų44.517%0.16624%0.239CC..Hα-helixtrans-65.3-42.9176-80.4-64.7-64.4103.8-18112L51 L54 D55 D58 V163 L164 Q169 T170 T171L51-R167 HydrophobicContact CD2-CB 4.12Å; L51-R167 HydrophobicContact CD2-CG 3.76Å; L54-R167 HydrophobicContact CD1-CB 3.76Å; D55-R167 IonicContact OD1-CZ 3.17Å; D55-R167 IonicContact OD1-NE 2.69Å; D55-R167 IonicContact OD1-NH2 3.04Å; D55-R167 PolarHBondContact OD1-NH2 3.28Å; D58-R167 IonicContact OD2-CZ 2.88Å; D58-R167 IonicContact OD2-NH1 3.64Å; D58-R167 PolarHBondContact OD2-NH1 2.91Å; D58-R167 VanDerWaalsContact OD2-NH1 3.13Å; D58-R167 IonicContact OD2-NH2 3.25Å; D58-R167 PolarHBondContact OD2-NH2 3.4Å; V163-R167 WeakPolarHBondContact O-CB 3.42Å; V163-R167 WeakPolarHBondContact O-CG 3.25Å; V163-R167 PolarHBondContact O-N 2.89Å; L164-R167 PolarHBondContact O-N 2.91Å; L164-R167 VanDerWaalsContact O-N 3.09Å; R167-Q169 VanDerWaalsContact C-N 3.26Å; R167-Q169 PolarHBondContact O-N 2.87Å; R167-T170 WeakPolarHBondContact O-CB 3.31Å; R167-T170 PolarHBondContact O-N 3.48Å; R167-T171 PolarHBondContact NH1-OG1 3.38Å; R167-T171 PolarHBondContact O-N 3.2Å; R167-T171 VanDerWaalsContact O-N 3.09Å; R167-T171 PolarHBondContact O-OG1 3Å
168F98.4Very high95.7Very high0 Ų040.5 Ų40.50%020%0.198CC..Hα-helixtrans-57.6-38.4173.1-81.6-71.1000112.5I50 L54 L116 I119 M120 L123 F151 L155 L164 W165 T170 T171 F172I50-F168 HydrophobicContact CG2-CE2 3.98Å; I50-F168 HydrophobicContact CG2-CZ 3.78Å; L54-F168 HydrophobicContact CD1-CD1 4.15Å; L54-F168 HydrophobicContact CD1-CD2 4.29Å; L54-F168 HydrophobicContact CD1-CE1 4.2Å; L54-F168 HydrophobicContact CD1-CE2 4.32Å; L54-F168 HydrophobicContact CD1-CG 4.18Å; L54-F168 HydrophobicContact CD1-CZ 4.27Å; L54-F168 HydrophobicContact CD2-CD1 3.81Å; L54-F168 HydrophobicContact CD2-CE1 3.66Å; L54-F168 HydrophobicContact CD2-CZ 4.35Å; L54-F168 HydrophobicContact CG-CE1 4.45Å; L116-F168 HydrophobicContact CD1-CE2 3.92Å; L116-F168 HydrophobicContact CD1-CZ 3.61Å; I119-F168 HydrophobicContact CG1-CE1 4.42Å; I119-F168 HydrophobicContact CG2-CE1 3.84Å; I119-F168 HydrophobicContact CG2-CZ 4.3Å; M120-F168 HydrophobicContact CG-CZ 4.47Å; M120-F168 HydrophobicContact SD-CE1 4.11Å; M120-F168 HydrophobicContact SD-CZ 3.9Å; L123-F168 HydrophobicContact CD1-CE1 4.47Å; F151-F168 HydrophobicContact CE1-CB 3.79Å; F151-F168 HydrophobicContact CE1-CD1 4.36Å; F151-F168 AromaticContact CE1-CD2 3.88Å; F151-F168 HydrophobicContact CE1-CD2 3.88Å; F151-F168 AromaticContact CE1-CG 3.77Å; F151-F168 HydrophobicContact CE1-CG 3.77Å; F151-F168 HydrophobicContact CZ-CB 4.21Å; F151-F168 AromaticContact CZ-CD1 3.98Å; F151-F168 HydrophobicContact CZ-CD1 3.98Å; F151-F168 AromaticContact CZ-CD2 3.53Å; F151-F168 HydrophobicContact CZ-CD2 3.53Å; F151-F168 HydrophobicContact CZ-CE1 4.21Å; F151-F168 AromaticContact CZ-CE2 3.81Å; F151-F168 HydrophobicContact CZ-CE2 3.81Å; F151-F168 AromaticContact CZ-CG 3.65Å; F151-F168 HydrophobicContact CZ-CG 3.65Å; F151-F168 HydrophobicContact CZ-CZ 4.14Å; L155-F168 HydrophobicContact CD1-CD2 4.32Å; L164-F168 WeakPolarHBondContact O-CD2 3.34Å; L164-F168 PolarHBondContact O-N 3.08Å; W165-F168 PolarHBondContact O-N 3.02Å; F168-T170 VanDerWaalsContact C-N 3.27Å; F168-T170 PolarHBondContact O-N 3.49Å; F168-T171 PolarHBondContact O-N 2.96Å; F168-F172 HydrophobicContact CB-CE2 3.94Å; F168-F172 HydrophobicContact CB-CZ 4.08Å; F168-F172 HydrophobicContact CD1-CE1 4.37Å; F168-F172 HydrophobicContact CD1-CZ 4.06Å; F168-F172 HydrophobicContact CG-CZ 4.44Å; F168-F172 VanDerWaalsContact O-CD2 3.26Å; F168-F172 WeakPolarHBondContact O-CD2 3.39Å; F168-F172 WeakPolarHBondContact O-CG 3.5Å; F168-F172 PolarHBondContact O-N 3.38Å
169Q98.2Very high96.5Very high16 Ų1638.6 Ų38.68%0.07519%0.188CC..Hα-helixtrans-62.7-35.8176.2-56-36.7-63.200112.5A143 N146 W165 T166 R167 N173A143-Q169 VanDerWaalsContact CA-OE1 3.23Å; A143-Q169 HydrophobicContact CB-CG 3.87Å; N146-Q169 PolarHBondContact ND2-NE2 3.47Å; N146-Q169 PolarHBondContact ND2-OE1 3.4Å; N146-Q169 PolarHBondContact OD1-NE2 3.31Å; N146-Q169 PolarHBondContact OD1-OE1 3.32Å; W165-Q169 HydrophobicContact CD2-CG 4.37Å; W165-Q169 HydrophobicContact CE3-CG 4.48Å; W165-Q169 HydrophobicContact CH2-CG 4.35Å; W165-Q169 HydrophobicContact CZ2-CG 4.22Å; W165-Q169 HydrophobicContact CZ3-CG 4.47Å; W165-Q169 VanDerWaalsContact O-CG 3.28Å; W165-Q169 WeakPolarHBondContact O-CG 3.23Å; W165-Q169 PolarHBondContact O-N 3.23Å; W165-Q169 VanDerWaalsContact O-N 3.13Å; W165-Q169 PolarHBondContact O-NE2 2.87Å; W165-Q169 VanDerWaalsContact O-NE2 3.09Å; T166-Q169 PolarHBondContact O-N 2.87Å; R167-Q169 VanDerWaalsContact C-N 3.26Å; R167-Q169 PolarHBondContact O-N 2.87Å; Q169-N173 PolarHBondContact O-N 3.23Å; Q169-N173 PolarHBondContact O-ND2 3.41Å; Q169-N173 PolarHBondContact O-OD1 2.89Å
170T98Very high97Very high59 Ų5930.8 Ų30.836%0.36215%0.151SC..Hα-helixtrans-65.4-44.8175.7-550000110.2T166 R167 F168 N173 C174T166-T170 PolarHBondContact O-N 3.44Å; T166-T170 PolarHBondContact O-OG1 3.25Å; R167-T170 WeakPolarHBondContact O-CB 3.31Å; R167-T170 PolarHBondContact O-N 3.48Å; F168-T170 VanDerWaalsContact C-N 3.27Å; F168-T170 PolarHBondContact O-N 3.49Å; T170-N173 WeakPolarHBondContact O-CB 3.29Å; T170-N173 PolarHBondContact O-N 3.44Å; T170-C174 PolarHBondContact O-N 2.87Å; T170-C174 PolarHBondContact O-SG 3.33Å
171T98.7Very high97.5Very high0 Ų025.7 Ų25.70%013%0.131CC..Hα-helixtrans-63.7-42176.5-58.20000113.2L54 V57 D58 L61 L123 R167 F168 N173 C174L54-T171 HydrophobicContact CD2-CG2 4.06Å; V57-T171 HydrophobicContact CG1-CG2 3.76Å; D58-T171 WeakPolarHBondContact OD1-CA 3.43Å; D58-T171 WeakPolarHBondContact OD1-CB 3.49Å; D58-T171 VanDerWaalsContact OD1-CG2 3.26Å; D58-T171 WeakPolarHBondContact OD1-CG2 3.47Å; D58-T171 PolarHBondContact OD1-OG1 3.18Å; D58-T171 PolarHBondContact OD2-OG1 3.16Å; L61-T171 HydrophobicContact CD1-CG2 4.18Å; L123-T171 HydrophobicContact CD1-CG2 4.4Å; L123-T171 HydrophobicContact CD2-CG2 4.45Å; R167-T171 PolarHBondContact NH1-OG1 3.38Å; R167-T171 PolarHBondContact O-N 3.2Å; R167-T171 VanDerWaalsContact O-N 3.09Å; R167-T171 PolarHBondContact O-OG1 3Å; F168-T171 PolarHBondContact O-N 2.96Å; T171-N173 VanDerWaalsContact C-N 3.26Å; T171-N173 PolarHBondContact O-N 3.48Å; T171-C174 WeakPolarHBondContact O-CA 3.36Å; T171-C174 VanDerWaalsContact O-CB 3.25Å; T171-C174 WeakPolarHBondContact O-CB 3.39Å; T171-C174 PolarHBondContact O-N 2.6Å
172F98.7Very high97.9Very high0 Ų029.7 Ų29.70%015%0.147CC..Hα-helixtrans-63.6-33.4174.8-63-26.6000112.6I109 I119 R137 E141 F151 F168 C174 M175I109-F172 HydrophobicContact CD1-CE2 3.53Å; I109-F172 HydrophobicContact CD1-CZ 3.7Å; I119-F172 HydrophobicContact CD1-CE1 3.97Å; I119-F172 HydrophobicContact CG1-CE1 3.93Å; I119-F172 HydrophobicContact CG1-CZ 4.32Å; R137-F172 WeakPolarHBondContact CD-O 3.24Å; R137-F172 VanDerWaalsContact CZ-O 3.25Å; R137-F172 PolarHBondContact NE-O 2.88Å; R137-F172 PolarHBondContact NH1-O 2.9Å; E141-F172 HydrophobicContact CB-CB 3.97Å; E141-F172 HydrophobicContact CB-CD1 4.04Å; E141-F172 HydrophobicContact CB-CD2 4.11Å; E141-F172 HydrophobicContact CB-CG 3.78Å; E141-F172 HydrophobicContact CG-CD1 3.74Å; E141-F172 HydrophobicContact CG-CD2 4.3Å; E141-F172 HydrophobicContact CG-CE1 3.9Å; E141-F172 HydrophobicContact CG-CE2 4.44Å; E141-F172 HydrophobicContact CG-CG 3.97Å; E141-F172 HydrophobicContact CG-CZ 4.26Å; E141-F172 WeakPolarHBondContact O-CB 3.26Å; F151-F172 HydrophobicContact CD1-CE2 4.45Å; F151-F172 HydrophobicContact CE1-CE2 4.06Å; F151-F172 HydrophobicContact CE1-CZ 4.15Å; F168-F172 HydrophobicContact CB-CE2 3.94Å; F168-F172 HydrophobicContact CB-CZ 4.08Å; F168-F172 HydrophobicContact CD1-CE1 4.37Å; F168-F172 HydrophobicContact CD1-CZ 4.06Å; F168-F172 HydrophobicContact CG-CZ 4.44Å; F168-F172 VanDerWaalsContact O-CD2 3.26Å; F168-F172 WeakPolarHBondContact O-CD2 3.39Å; F168-F172 WeakPolarHBondContact O-CG 3.5Å; F168-F172 PolarHBondContact O-N 3.38Å; F172-C174 PolarHBondContact O-N 2.91Å; F172-M175 HydrophobicContact CD1-SD 4.02Å; F172-M175 PolarHBondContact O-N 2.9Å; F172-M175 VanDerWaalsContact O-N 3.16Å
173N98.6Very high98.1Very high39 Ų3923.5 Ų23.521%0.20913%0.132CC..Hα-helixtrans-65.5-22.8172.8-69.2-18.1000112.9R137 Q169 T170 T171 P208 M209R137-N173 PolarHBondContact NH1-OD1 3.26Å; R137-N173 PolarHBondContact NH2-OD1 3.2Å; Q169-N173 PolarHBondContact O-N 3.23Å; Q169-N173 PolarHBondContact O-ND2 3.41Å; Q169-N173 PolarHBondContact O-OD1 2.89Å; T170-N173 WeakPolarHBondContact O-CB 3.29Å; T170-N173 PolarHBondContact O-N 3.44Å; T171-N173 VanDerWaalsContact C-N 3.26Å; T171-N173 PolarHBondContact O-N 3.48Å; N173-P208 HydrophobicContact CB-CB 3.8Å; N173-P208 CarbonylContact O-C 3.26Å; N173-P208 WeakPolarHBondContact O-CA 3.22Å; N173-M209 WeakPolarHBondContact CA-O 3.12Å; N173-M209 WeakPolarHBondContact CB-O 3.19Å; N173-M209 VanDerWaalsContact CG-O 3.24Å; N173-M209 PolarHBondContact O-N 3.48Å; N173-M209 PolarHBondContact OD1-O 2.83Å
174C98.7Very high98.2Very high2 Ų220.9 Ų20.91%0.01412%0.118CC..THydrogen-bonded Turntrans-80.3-9.4174.6-58.20000113.3L61 L62 T170 T171 F172 R207L61-C174 HydrophobicContact CB-CB 4.03Å; L61-C174 HydrophobicContact CD1-CB 4.29Å; L62-C174 HydrophobicContact CD2-CB 4.02Å; L62-C174 HydrophobicContact CG-CB 4.07Å; T170-C174 PolarHBondContact O-N 2.87Å; T170-C174 PolarHBondContact O-SG 3.33Å; T171-C174 WeakPolarHBondContact O-CA 3.36Å; T171-C174 VanDerWaalsContact O-CB 3.25Å; T171-C174 WeakPolarHBondContact O-CB 3.39Å; T171-C174 PolarHBondContact O-N 2.6Å; F172-C174 PolarHBondContact O-N 2.91Å; C174-R207 PolarHBondContact O-NH1 2.85Å
175M98.7Very high98.3Very high1 Ų120.9 Ų20.91%0.00512%0.118CC..SBendtrans-75.7142.3-172.7-71.8-178.6140.400113.7L61 Y108 I119 L123 L135 R137 E141 F172 R207L61-M175 HydrophobicContact CD1-CG 4.07Å; Y108-M175 HydrophobicContact CD2-CE 4.24Å; Y108-M175 HydrophobicContact CE2-CE 3.6Å; Y108-M175 HydrophobicContact CE2-SD 3.93Å; I119-M175 HydrophobicContact CD1-CE 4.38Å; L123-M175 HydrophobicContact CD2-CE 4.37Å; L135-M175 HydrophobicContact CB-CE 4.01Å; L135-M175 HydrophobicContact CD1-CE 4.23Å; R137-M175 HydrophobicContact CB-CB 3.83Å; R137-M175 HydrophobicContact CG-CB 4.22Å; E141-M175 HydrophobicContact CG-SD 4.28Å; F172-M175 HydrophobicContact CD1-SD 4.02Å; F172-M175 PolarHBondContact O-N 2.9Å; F172-M175 VanDerWaalsContact O-N 3.16Å; M175-R207 WeakPolarHBondContact O-CD 3.45Å
176P98.7Very high98.4Very high0 Ų019.4 Ų19.40%011%0.113CC..  trans-58.1155.4169.7-20.730.2000112.2L68 L135 L136 R137L68-P176 HydrophobicContact CD1-CB 4.02Å; L68-P176 HydrophobicContact CD1-CG 4.01Å; L68-P176 HydrophobicContact CD2-CB 4.07Å; L68-P176 HydrophobicContact CD2-CG 3.76Å; L68-P176 HydrophobicContact CG-CB 3.79Å; L68-P176 HydrophobicContact CG-CG 3.96Å; L135-P176 WeakPolarHBondContact O-CD 3.23Å; L136-P176 CarbonylContact C-O 3.57Å; L136-P176 WeakPolarHBondContact CA-O 3.27Å; L136-P176 HydrophobicContact CD2-CB 3.96Å; R137-P176 PolarHBondContact N-O 3.5Å
177L98.8Very high98.4Very high2 Ų216.1 Ų16.11%0.019%0.092CC..  trans-102.8-25.6-176.4-65.3177.2000113.5T66 R137 L205 M209 V217 L220 L221T66-L177 HydrophobicContact CG2-CB 4.15Å; T66-L177 HydrophobicContact CG2-CD1 3.94Å; T66-L177 HydrophobicContact CG2-CG 3.9Å; T66-L177 PolarHBondContact O-N 3.48Å; R137-L177 HydrophobicContact CB-CD2 4.07Å; L177-L205 HydrophobicContact CD1-CD1 3.61Å; L177-M209 HydrophobicContact CD1-SD 4.41Å; L177-V217 HydrophobicContact CD1-CG1 3.92Å; L177-V217 HydrophobicContact CD1-CG2 4.37Å; L177-L220 HydrophobicContact CB-CD1 4.27Å; L177-L220 HydrophobicContact CD1-CD1 4.35Å; L177-L221 HydrophobicContact CD2-CD2 4.3Å
178A98.9Very high98.5Very high0 Ų014 Ų140%09%0.085CC..EExtended strand (participates in β ladder)trans-153.1166.2-177.500000111T66 L67 L68 F186 C187 I202T66-A178 PolarHBondContact O-N 3.39Å; L67-A178 WeakPolarHBondContact CA-O 3.22Å; L67-A178 HydrophobicContact CD1-CB 3.68Å; L68-A178 PolarHBondContact N-O 2.75Å; A178-F186 HydrophobicContact CB-CE2 3.66Å; A178-F186 HydrophobicContact CB-CZ 3.78Å; A178-C187 CarbonylContact C-O 3.59Å; A178-C187 VanDerWaalsContact CA-O 3.23Å; A178-C187 WeakPolarHBondContact CA-O 3.44Å; A178-C187 WeakPolarHBondContact CB-O 3.15Å; A178-I202 HydrophobicContact CB-CD1 4.45Å
179A98.9Very high98.5Very high0 Ų014 Ų140%09%0.085CC..EExtended strand (participates in β ladder)trans-135.4152.6172.700000111.3L68 V70 L103 L136 C187L68-A179 HydrophobicContact CB-CB 3.84Å; L68-A179 HydrophobicContact CD1-CB 4.47Å; L68-A179 CarbonylContact O-C 3.6Å; L68-A179 VanDerWaalsContact O-CA 3.31Å; L68-A179 WeakPolarHBondContact O-CA 3.14Å; V70-A179 HydrophobicContact CG2-CB 4.09Å; L103-A179 HydrophobicContact CD1-CB 4.02Å; L103-A179 HydrophobicContact CD2-CB 3.88Å; L136-A179 HydrophobicContact CD1-CB 4.36Å; L136-A179 HydrophobicContact CD2-CB 4.31Å; A179-C187 HydrophobicContact CB-CB 4.15Å; A179-C187 PolarHBondContact N-O 2.92Å; A179-C187 PolarHBondContact O-N 2.91Å
180L98.7Very high98.5Very high8 Ų813.3 Ų13.34%0.0428%0.081CC..EExtended strand (participates in β ladder)trans-111.9124.6165.4-73.3178.2000109.1L67 L68 V70 I185 F186 L199 L258L67-L180 HydrophobicContact CD1-CG 4.12Å; L67-L180 HydrophobicContact CD2-CD1 4.33Å; L67-L180 HydrophobicContact CD2-CG 4.42Å; L67-L180 HydrophobicContact CG-CG 4.43Å; L68-L180 PolarHBondContact O-N 3.48Å; V70-L180 PolarHBondContact N-O 3.08Å; L180-I185 CarbonylContact C-O 3.1Å; L180-I185 WeakPolarHBondContact CA-O 3.48Å; L180-F186 HydrophobicContact CD2-CB 4.15Å; L180-F186 HydrophobicContact CD2-CD2 3.95Å; L180-L199 HydrophobicContact CD1-CD1 3.89Å; L180-L199 HydrophobicContact CD2-CD1 4.08Å; L180-L199 HydrophobicContact CG-CD1 4.46Å; L180-L258 HydrophobicContact CD2-CD2 3.65Å
181I98.7Very high98.5Very high0 Ų010.5 Ų10.50%06%0.064CC..EExtended strand (participates in β ladder)trans-90.3115.1170.6-54.9168.3000108.3V70 P72 V74 I76 L103 G183 A184 I185 C187 V296 L300V70-I181 HydrophobicContact CB-CG1 4.39Å; V70-I181 CarbonylContact O-C 3.42Å; V70-I181 VanDerWaalsContact O-CA 3.24Å; V70-I181 WeakPolarHBondContact O-CA 3.3Å; P72-I181 HydrophobicContact CB-CG2 4.35Å; P72-I181 HydrophobicContact CG-CG2 4.47Å; V74-I181 HydrophobicContact CG1-CD1 3.68Å; V74-I181 HydrophobicContact CG1-CG1 4.19Å; V74-I181 HydrophobicContact CG1-CG2 4.11Å; I76-I181 HydrophobicContact CD1-CD1 3.55Å; I76-I181 HydrophobicContact CG1-CD1 4.23Å; L103-I181 HydrophobicContact CD2-CD1 4.45Å; I181-G183 PolarHBondContact O-N 2.89Å; I181-G183 VanDerWaalsContact O-N 3.08Å; I181-A184 PolarHBondContact O-N 2.98Å; I181-I185 HydrophobicContact CB-CB 4.13Å; I181-I185 PolarHBondContact N-O 3.1Å; I181-I185 PolarHBondContact O-N 3.22Å; I181-C187 VanDerWaalsContact CD1-SG 3.56Å; I181-V296 HydrophobicContact CD1-CG2 4.12Å; I181-V296 HydrophobicContact CG2-CG1 4.22Å; I181-L300 HydrophobicContact CG2-CD2 4.02Å
182K97.4Very high98.5Very high105 Ų10510.5 Ų10.546%0.4576%0.064SC..THydrogen-bonded Turntrans48.335.3-178.7-156.9174-178.61710113.5V70 P72 A184 E298 L300V70-K182 PolarHBondContact O-N 2.95Å; P72-K182 HydrophobicContact CG-CB 4.4Å; P72-K182 HydrophobicContact CG-CD 3.98Å; K182-A184 PolarHBondContact O-N 3Å; K182-A184 VanDerWaalsContact O-N 3.1Å; K182-E298 PolarHBondContact NZ-O 3.12Å; K182-L300 HydrophobicContact CB-CD1 4.44Å; K182-L300 HydrophobicContact CB-CD2 3.92Å; K182-L300 HydrophobicContact CD-CD1 4.32Å; K182-L300 HydrophobicContact CD-CD2 4.18Å; K182-L300 HydrophobicContact CD-CG 4.27Å
183G97.1Very high98.5Very high42 Ų4210.5 Ų10.543%0.4336%0.064SC..THydrogen-bonded Turntrans64.29-177.400000116.1I181 L258I181-G183 PolarHBondContact O-N 2.89Å; I181-G183 VanDerWaalsContact O-N 3.08Å; G183-L258 WeakPolarHBondContact O-CD2 3.45Å
184A98.1Very high98.4Very high20 Ų2013 Ų1317%0.1657%0.074CC..THydrogen-bonded Turntrans-118.9-35.9-17000000114.1I181 K182 L258 S259 L300I181-A184 PolarHBondContact O-N 2.98Å; K182-A184 PolarHBondContact O-N 3Å; K182-A184 VanDerWaalsContact O-N 3.1Å; A184-L258 WeakPolarHBondContact O-CA 3.31Å; A184-L258 WeakPolarHBondContact O-CB 3.31Å; A184-S259 PolarHBondContact O-N 3.4Å; A184-S259 PolarHBondContact O-OG 2.88Å; A184-L300 HydrophobicContact CB-CD1 3.62Å
185I98.7Very high98.4Very high1 Ų117.4 Ų17.41%0.0059%0.091CC..EExtended strand (participates in β ladder)trans-109.5121.4-178.6-52.9176.2000109.1L180 I181 L260 I262 V296 L300L180-I185 CarbonylContact C-O 3.1Å; L180-I185 WeakPolarHBondContact CA-O 3.48Å; I181-I185 HydrophobicContact CB-CB 4.13Å; I181-I185 PolarHBondContact N-O 3.1Å; I181-I185 PolarHBondContact O-N 3.22Å; I185-L260 WeakPolarHBondContact CA-O 3.44Å; I185-L260 HydrophobicContact CD1-CD2 4.29Å; I185-L260 HydrophobicContact CG1-CB 4.23Å; I185-L260 HydrophobicContact CG2-CB 4.12Å; I185-L260 HydrophobicContact CG2-CD2 4.23Å; I185-L260 HydrophobicContact CG2-CG 4.24Å; I185-I262 HydrophobicContact CG2-CB 4.47Å; I185-I262 HydrophobicContact CG2-CD1 3.67Å; I185-I262 HydrophobicContact CG2-CG1 3.67Å; I185-V296 HydrophobicContact CD1-CG1 3.84Å; I185-V296 HydrophobicContact CD1-CG2 4.28Å; I185-L300 HydrophobicContact CD1-CB 4.42Å; I185-L300 HydrophobicContact CD1-CD2 4.18Å
186F98.8Very high98.4Very high0 Ų017.5 Ų17.50%09%0.091CC..EExtended strand (participates in β ladder)trans-90.2122.9176.5-179.1-104.6000111L67 A178 L180 V188 I192 L199 I202 L220 F252 L258 L260 I261 I262L67-F186 HydrophobicContact CD1-CE2 4.32Å; A178-F186 HydrophobicContact CB-CE2 3.66Å; A178-F186 HydrophobicContact CB-CZ 3.78Å; L180-F186 HydrophobicContact CD2-CB 4.15Å; L180-F186 HydrophobicContact CD2-CD2 3.95Å; F186-V188 HydrophobicContact CD1-CB 4.38Å; F186-V188 HydrophobicContact CD1-CG1 4.27Å; F186-V188 HydrophobicContact CE1-CB 3.73Å; F186-V188 HydrophobicContact CE1-CG1 3.84Å; F186-V188 HydrophobicContact CE1-CG2 4.3Å; F186-V188 HydrophobicContact CZ-CB 4.19Å; F186-V188 HydrophobicContact CZ-CG2 4.47Å; F186-I192 HydrophobicContact CE1-CG2 4.44Å; F186-L199 HydrophobicContact CD2-CD2 4.33Å; F186-L199 HydrophobicContact CE2-CD2 4.13Å; F186-I202 HydrophobicContact CE2-CD1 3.9Å; F186-I202 HydrophobicContact CZ-CD1 3.95Å; F186-L220 HydrophobicContact CE1-CD2 4.27Å; F186-L220 HydrophobicContact CZ-CD2 3.81Å; F186-F252 AromaticContact CD1-CE1 3.99Å; F186-F252 HydrophobicContact CD1-CE1 3.99Å; F186-F252 HydrophobicContact CD1-CZ 4.24Å; F186-F252 HydrophobicContact CE1-CE1 4.36Å; F186-F252 HydrophobicContact CE1-CZ 4.15Å; F186-F252 HydrophobicContact CG-CE1 4.25Å; F186-F252 HydrophobicContact CZ-CZ 4.42Å; F186-L258 HydrophobicContact CB-CD1 3.64Å; F186-L258 HydrophobicContact CG-CD1 4.35Å; F186-L260 PolarHBondContact N-O 3.46Å; F186-I261 HydrophobicContact CD1-CG1 4.48Å; F186-I261 CarbonylContact O-C 3.58Å; F186-I261 VanDerWaalsContact O-CA 3.3Å; F186-I261 WeakPolarHBondContact O-CA 3.16Å; F186-I262 PolarHBondContact O-N 2.72Å
187C98.9Very high98.3Very high0 Ų022.2 Ų22.20%012%0.119CC..EExtended strand (participates in β ladder)trans-113.7131.8-178.5-59.90000110.1L103 L105 A178 A179 I181 I262L103-C187 HydrophobicContact CD2-CB 3.64Å; L105-C187 HydrophobicContact CD2-CB 3.84Å; A178-C187 CarbonylContact C-O 3.59Å; A178-C187 VanDerWaalsContact CA-O 3.23Å; A178-C187 WeakPolarHBondContact CA-O 3.44Å; A178-C187 WeakPolarHBondContact CB-O 3.15Å; A179-C187 HydrophobicContact CB-CB 4.15Å; A179-C187 PolarHBondContact N-O 2.92Å; A179-C187 PolarHBondContact O-N 2.91Å; I181-C187 VanDerWaalsContact CD1-SG 3.56Å; C187-I262 VanDerWaalsContact CA-O 3.26Å; C187-I262 WeakPolarHBondContact CA-O 3.3Å
188V98.8Very high98.3Very high0 Ų024.8 Ų24.80%014%0.135CC..EExtended strand (participates in β ladder)trans-154.3160.1-174.768.50000109.6F186 L220 I262 R263F186-V188 HydrophobicContact CD1-CB 4.38Å; F186-V188 HydrophobicContact CD1-CG1 4.27Å; F186-V188 HydrophobicContact CE1-CB 3.73Å; F186-V188 HydrophobicContact CE1-CG1 3.84Å; F186-V188 HydrophobicContact CE1-CG2 4.3Å; F186-V188 HydrophobicContact CZ-CB 4.19Å; F186-V188 HydrophobicContact CZ-CG2 4.47Å; V188-L220 HydrophobicContact CG2-CB 3.91Å; V188-L220 HydrophobicContact CG2-CD2 3.6Å; V188-L220 HydrophobicContact CG2-CG 4.34Å; V188-L220 WeakPolarHBondContact CG2-O 3.19Å; V188-I262 PolarHBondContact N-O 3.03Å; V188-I262 VanDerWaalsContact N-O 3.16Å; V188-R263 HydrophobicContact CG1-CB 4.01Å; V188-R263 WeakPolarHBondContact O-CA 3.4Å
189H98.7Very high98.3Very high0 Ų025.6 Ų25.60%014%0.139CC..SBendtrans-70.8-67.1174.2-172.158.4000112.4D79 L105 D107 G138 N139 L221 R263 A264 H265D79-H189 IonicContact OD1-CE1 3.22Å; L105-H189 WeakPolarHBondContact O-CB 3.19Å; L105-H189 PolarHBondContact O-ND1 3.25Å; D107-H189 IonicContact OD1-CD2 3.73Å; D107-H189 IonicContact OD1-CE1 3.66Å; D107-H189 IonicContact OD1-NE2 3.2Å; D107-H189 PolarHBondContact OD1-NE2 2.87Å; D107-H189 IonicContact OD2-CE1 3.42Å; D107-H189 PolarHBondContact OD2-CE1 3.34Å; D107-H189 IonicContact OD2-NE2 2.76Å; D107-H189 PolarHBondContact OD2-NE2 2.77Å; G138-H189 VanDerWaalsContact CA-CG 3.5Å; N139-H189 PolarHBondContact N-CD2 3.22Å; N139-H189 VanDerWaalsContact N-CD2 3.27Å; N139-H189 PolarHBondContact OD1-CD2 3.04Å; N139-H189 VanDerWaalsContact OD1-CD2 3.27Å; N139-H189 PolarHBondContact OD1-NE2 2.88Å; H189-L221 HydrophobicContact CB-CD2 4.23Å; H189-L221 PolarHBondContact CD2-O 2.7Å; H189-R263 PolarHBondContact O-NE 2.87Å; H189-A264 CarbonylContact O-C 3.49Å; H189-A264 PolarHBondContact O-N 3.17Å; H189-H265 AromaticContact NE2-CG 3.98Å; H189-H265 AromaticContact NE2-ND1 3.63Å
190G98.5Very high98.2Very high0 Ų029 Ų290%016%0.158CC..SBendtrans-79.4-93.3-178.300000110.5L220 A223 R263G190-L220 VanDerWaalsContact CA-O 3.22Å; G190-L220 WeakPolarHBondContact CA-O 3.24Å; G190-L220 PolarHBondContact N-O 2.87Å; G190-A223 CarbonylContact C-O 3.54Å; G190-R263 VanDerWaalsContact C-NH2 3.33Å; G190-R263 WeakPolarHBondContact O-CB 3.31Å; G190-R263 PolarHBondContact O-NE 2.85Å; G190-R263 PolarHBondContact O-NH2 2.8Å
191G98.2Very high98.2Very high0 Ų031.2 Ų31.20%017%0.168CC..  trans-164.8-151.4-174.800000114.4D219 L220 A223G191-D219 PolarHBondContact N-O 2.99Å; G191-L220 PolarHBondContact N-O 2.95Å; G191-A223 PolarHBondContact N-O 3.15Å
192I98.3Very high98.2Very high0 Ų031.2 Ų31.20%017%0.168CC..  trans-98.2161.9-177.957175.7000111.2F186 Y232 F244 S248 I249 F252 I261F186-I192 HydrophobicContact CE1-CG2 4.44Å; I192-Y232 WeakPolarHBondContact CD1-OH 3.42Å; I192-Y232 HydrophobicContact CG1-CE1 4.15Å; I192-F244 HydrophobicContact CD1-CD2 3.75Å; I192-F244 HydrophobicContact CD1-CE2 4.09Å; I192-F244 HydrophobicContact CD1-CG 4.16Å; I192-F244 HydrophobicContact CG1-CB 4.41Å; I192-F244 HydrophobicContact CG1-CD1 3.97Å; I192-F244 HydrophobicContact CG1-CD2 3.65Å; I192-F244 HydrophobicContact CG1-CE1 4.13Å; I192-F244 HydrophobicContact CG1-CE2 3.81Å; I192-F244 HydrophobicContact CG1-CG 3.73Å; I192-F244 HydrophobicContact CG1-CZ 4.06Å; I192-S248 WeakPolarHBondContact CD1-O 3.08Å; I192-I249 HydrophobicContact CD1-CG1 4.27Å; I192-F252 HydrophobicContact CB-CD2 3.9Å; I192-F252 HydrophobicContact CB-CE2 4.1Å; I192-F252 HydrophobicContact CB-CG 4.13Å; I192-F252 HydrophobicContact CD1-CB 3.81Å; I192-F252 HydrophobicContact CD1-CG 4.15Å; I192-F252 HydrophobicContact CG2-CD1 3.69Å; I192-F252 HydrophobicContact CG2-CD2 3.9Å; I192-F252 HydrophobicContact CG2-CE1 3.72Å; I192-F252 HydrophobicContact CG2-CE2 3.92Å; I192-F252 HydrophobicContact CG2-CG 3.79Å; I192-F252 HydrophobicContact CG2-CZ 3.83Å; I192-I261 HydrophobicContact CD1-CD1 4.35Å; I192-I261 HydrophobicContact CG2-CD1 3.52Å; I192-I261 HydrophobicContact CG2-CG1 4.46Å
193S98.3Very high98.2Very high0 Ų030.2 Ų30.20%016%0.161CC..  trans-131.5136177-1780000110.4R195 I196 D219S193-R195 PolarHBondContact O-N 3.47Å; S193-R195 VanDerWaalsContact O-N 3.14Å; S193-R195 WeakPolarHBondContact OG-CB 3.48Å; S193-R195 PolarHBondContact OG-N 3.25Å; S193-R195 VanDerWaalsContact OG-N 3.15Å; S193-I196 PolarHBondContact O-N 2.83Å; S193-I196 VanDerWaalsContact O-N 3.11Å; S193-D219 WeakPolarHBondContact CB-OD2 3.39Å; S193-D219 PolarHBondContact OG-OD2 3.16Å
194H97.1Very high98.3Very high92 Ų9235.7 Ų35.743%0.42617%0.173SC..THydrogen-bonded Turntrans-60.6-18.1169.163.8-81.5000112.9I196 Y232H194-I196 VanDerWaalsContact C-N 3.32Å; H194-Y232 HydrophobicContact CB-CD1 4.2Å; H194-Y232 HydrophobicContact CB-CD2 3.64Å; H194-Y232 HydrophobicContact CB-CE1 4.2Å; H194-Y232 HydrophobicContact CB-CE2 3.65Å; H194-Y232 HydrophobicContact CB-CG 3.92Å; H194-Y232 AromaticContact ND1-CD1 3.96Å; H194-Y232 AromaticContact ND1-CG 3.92Å
195R97.8Very high98.3Very high95 Ų9536.5 Ų36.536%0.35817%0.174SC..THydrogen-bonded Turntrans-83.4-7.8179.3-53.6178.6-175.5-173.42.2112.6S193 V197 Q201 D214 G215 F216S193-R195 PolarHBondContact O-N 3.47Å; S193-R195 VanDerWaalsContact O-N 3.14Å; S193-R195 WeakPolarHBondContact OG-CB 3.48Å; S193-R195 PolarHBondContact OG-N 3.25Å; S193-R195 VanDerWaalsContact OG-N 3.15Å; R195-V197 PolarHBondContact O-N 3.45Å; R195-Q201 PolarHBondContact O-NE2 3.39Å; R195-Q201 PolarHBondContact O-OE1 3.37Å; R195-D214 IonicContact CZ-OD1 2.64Å; R195-D214 VanDerWaalsContact CZ-OD1 3.3Å; R195-D214 IonicContact CZ-OD2 3.15Å; R195-D214 IonicContact NH1-OD1 3.92Å; R195-D214 PolarHBondContact NH1-OD1 3.42Å; R195-D214 IonicContact NH1-OD2 3.74Å; R195-D214 PolarHBondContact NH1-OD2 2.79Å; R195-D214 IonicContact NH2-OD1 2.66Å; R195-D214 PolarHBondContact NH2-OD1 3.29Å; R195-D214 IonicContact NH2-OD2 3.06Å; R195-D214 PolarHBondContact NH2-OD2 3.24Å; R195-G215 VanDerWaalsContact NH1-CA 3.29Å; R195-F216 HydrophobicContact CB-CB 4.19Å
196I98.4Very high98.2Very high3 Ų347.1 Ų47.12%0.01522%0.215CC..  trans-91.390174.6-60.3164.9000108.7S193 H194 L199 I202 F216 L220 F252 H256S193-I196 PolarHBondContact O-N 2.83Å; S193-I196 VanDerWaalsContact O-N 3.11Å; H194-I196 VanDerWaalsContact C-N 3.32Å; I196-L199 HydrophobicContact CG2-CD2 4.33Å; I196-I202 HydrophobicContact CD1-CD1 4.24Å; I196-F216 HydrophobicContact CD1-CB 4.03Å; I196-F216 HydrophobicContact CD1-CD2 4.05Å; I196-F216 HydrophobicContact CD1-CG 4.4Å; I196-F216 HydrophobicContact CG1-CB 3.63Å; I196-F216 HydrophobicContact CG1-CD2 3.82Å; I196-F216 HydrophobicContact CG1-CG 3.85Å; I196-L220 HydrophobicContact CD1-CD2 3.81Å; I196-L220 HydrophobicContact CD1-CG 4.17Å; I196-F252 HydrophobicContact CB-CE2 4.23Å; I196-F252 HydrophobicContact CG2-CE2 4.15Å; I196-H256 PolarHBondContact O-CE1 2.97Å; I196-H256 PolarHBondContact O-NE2 3.14Å
197V97.6Very high98.1Very high98 Ų9848.7 Ų48.759%0.59422%0.22SC*.SBendtrans-86.7-18175.3-60.10000112.6R195 Q201R195-V197 PolarHBondContact O-N 3.45Å; V197-Q201 VanDerWaalsContact CG2-OE1 3.24Å
198T98.1Very high98.1Very high57 Ų5752.3 Ų52.335%0.3524%0.244SC..SBendtrans-147.8142.1169.1173.30000110.5D200 Q201T198-D200 HydrophobicContact CG2-CB 4.04Å; T198-D200 PolarHBondContact O-N 3.15Å; T198-D200 VanDerWaalsContact O-N 3.14Å; T198-D200 PolarHBondContact OG1-N 2.57Å; T198-Q201 HydrophobicContact CG2-CG 3.91Å; T198-Q201 WeakPolarHBondContact O-CB 3.22Å; T198-Q201 PolarHBondContact O-N 3.27Å; T198-Q201 PolarHBondContact O-OE1 2.89Å
199L98.5Very high98Very high16 Ų1654 Ų548%0.08425%0.252CS..THydrogen-bonded Turntrans-62.2-17.7173.7-61.5-177.6000112.9L67 L180 F186 I196 Q201 I202 R203 F252 H256 L258L67-L199 HydrophobicContact CD2-CB 3.94Å; L180-L199 HydrophobicContact CD1-CD1 3.89Å; L180-L199 HydrophobicContact CD2-CD1 4.08Å; L180-L199 HydrophobicContact CG-CD1 4.46Å; F186-L199 HydrophobicContact CD2-CD2 4.33Å; F186-L199 HydrophobicContact CE2-CD2 4.13Å; I196-L199 HydrophobicContact CG2-CD2 4.33Å; L199-Q201 PolarHBondContact O-N 3.09Å; L199-I202 HydrophobicContact CD2-CD1 4.38Å; L199-I202 PolarHBondContact O-N 3.31Å; L199-I202 VanDerWaalsContact O-N 3.08Å; L199-R203 VanDerWaalsContact CB-NH1 3.35Å; L199-R203 PolarHBondContact O-N 2.96Å; L199-F252 HydrophobicContact CD2-CZ 4.19Å; L199-H256 HydrophobicContact CD1-CB 4.18Å; L199-H256 HydrophobicContact CG-CB 4.17Å; L199-L258 HydrophobicContact CD1-CD1 4.44Å
200D98.2Very high97.9Very high72 Ų7258.1 Ų58.139%0.38528%0.281SS..Hα-helixtrans-62.4-23.4172.3-75.7-15.7000113.1T198 I202 R203 K204T198-D200 HydrophobicContact CG2-CB 4.04Å; T198-D200 PolarHBondContact O-N 3.15Å; T198-D200 VanDerWaalsContact O-N 3.14Å; T198-D200 PolarHBondContact OG1-N 2.57Å; D200-I202 VanDerWaalsContact C-N 3.26Å; D200-I202 PolarHBondContact O-N 3.1Å; D200-R203 PolarHBondContact O-N 3.39Å; D200-K204 WeakPolarHBondContact O-CB 3.25Å; D200-K204 WeakPolarHBondContact O-CD 3.49Å; D200-K204 VanDerWaalsContact O-CG 3.23Å; D200-K204 WeakPolarHBondContact O-CG 3.07Å; D200-K204 PolarHBondContact O-N 3.35Å
201Q98.5Very high97.8Very high54 Ų5459.3 Ų59.325%0.25229%0.288SS..Hα-helixtrans-60.5-39.1173-73.1169.6-93.200111R195 V197 T198 L199 F216R195-Q201 PolarHBondContact O-NE2 3.39Å; R195-Q201 PolarHBondContact O-OE1 3.37Å; V197-Q201 VanDerWaalsContact CG2-OE1 3.24Å; T198-Q201 HydrophobicContact CG2-CG 3.91Å; T198-Q201 WeakPolarHBondContact O-CB 3.22Å; T198-Q201 PolarHBondContact O-N 3.27Å; T198-Q201 PolarHBondContact O-OE1 2.89Å; L199-Q201 PolarHBondContact O-N 3.09Å; Q201-F216 HydrophobicContact CB-CE1 4.45Å; Q201-F216 HydrophobicContact CB-CE2 4.48Å; Q201-F216 HydrophobicContact CB-CZ 4.06Å
202I98.5Very high97.6Very high0 Ų061.8 Ų61.80%030%0.304CS..Hα-helixtrans-72.1-45.9177-51.4176.8000109.8T66 L67 A178 F186 I196 L199 D200 K204 L205 F216 L220T66-I202 WeakPolarHBondContact CB-O 3.33Å; T66-I202 HydrophobicContact CG2-CG2 4.19Å; L67-I202 HydrophobicContact CB-CB 4.26Å; L67-I202 HydrophobicContact CB-CG2 3.86Å; L67-I202 HydrophobicContact CD2-CB 4.33Å; A178-I202 HydrophobicContact CB-CD1 4.45Å; F186-I202 HydrophobicContact CE2-CD1 3.9Å; F186-I202 HydrophobicContact CZ-CD1 3.95Å; I196-I202 HydrophobicContact CD1-CD1 4.24Å; L199-I202 HydrophobicContact CD2-CD1 4.38Å; L199-I202 PolarHBondContact O-N 3.31Å; L199-I202 VanDerWaalsContact O-N 3.08Å; D200-I202 VanDerWaalsContact C-N 3.26Å; D200-I202 PolarHBondContact O-N 3.1Å; I202-K204 PolarHBondContact O-N 2.96Å; I202-L205 WeakPolarHBondContact O-CB 3.43Å; I202-L205 PolarHBondContact O-N 3.11Å; I202-L205 VanDerWaalsContact O-N 3.14Å; I202-F216 HydrophobicContact CG1-CE2 4.21Å; I202-L220 HydrophobicContact CD1-CD1 4.09Å; I202-L220 HydrophobicContact CD1-CD2 4.18Å; I202-L220 HydrophobicContact CG1-CD1 4.23Å
203R98.2Very high97.3Very high84 Ų8466.8 Ų66.832%0.31733%0.331SS..Hα-helixtrans-57.1-35.5179.4-70.3-176.1172.670.39.9113.4L67 D69 L199 D200 L205L67-R203 HydrophobicContact CB-CG 3.94Å; L67-R203 HydrophobicContact CD2-CG 4.23Å; L67-R203 VanDerWaalsContact CD2-CZ 3.44Å; D69-R203 IonicContact OD1-NH2 2.78Å; L199-R203 VanDerWaalsContact CB-NH1 3.35Å; L199-R203 PolarHBondContact O-N 2.96Å; D200-R203 PolarHBondContact O-N 3.39Å; R203-L205 VanDerWaalsContact C-N 3.34Å
204K97.8Very high97.1Very high158 Ų15871.1 Ų71.169%0.68735%0.354SS*.THydrogen-bonded Turntrans-81.3-8.2-177.2-71.1169.1-176167.70114.1D200 I202 R206D200-K204 WeakPolarHBondContact O-CB 3.25Å; D200-K204 WeakPolarHBondContact O-CD 3.49Å; D200-K204 VanDerWaalsContact O-CG 3.23Å; D200-K204 WeakPolarHBondContact O-CG 3.07Å; D200-K204 PolarHBondContact O-N 3.35Å; I202-K204 PolarHBondContact O-N 2.96Å; K204-R206 PolarHBondContact O-N 2.92Å
205L97.8Very high97.1Very high36 Ų3667.4 Ų67.419%0.18834%0.341CS..  trans-65.5128.6175.3-70.6170.7000110.3T66 L177 I202 R203 M209 F216 V217T66-L205 HydrophobicContact CG2-CB 3.98Å; T66-L205 HydrophobicContact CG2-CD1 4.24Å; T66-L205 PolarHBondContact OG1-O 2.75Å; L177-L205 HydrophobicContact CD1-CD1 3.61Å; I202-L205 WeakPolarHBondContact O-CB 3.43Å; I202-L205 PolarHBondContact O-N 3.11Å; I202-L205 VanDerWaalsContact O-N 3.14Å; R203-L205 VanDerWaalsContact C-N 3.34Å; L205-M209 HydrophobicContact CB-SD 4.23Å; L205-M209 HydrophobicContact CD1-SD 4.4Å; L205-M209 HydrophobicContact CD2-CE 4.37Å; L205-M209 HydrophobicContact CD2-SD 4.37Å; L205-F216 HydrophobicContact CD1-CE2 3.73Å; L205-F216 HydrophobicContact CD1-CZ 4Å; L205-F216 HydrophobicContact CD2-CZ 4.01Å; L205-F216 HydrophobicContact CG-CE2 4.37Å; L205-F216 HydrophobicContact CG-CZ 4.16Å; L205-V217 HydrophobicContact CD1-CG2 3.69Å; L205-V217 HydrophobicContact CD2-CG2 4.08Å
206R96.8Very high97.1Very high225 Ų22564.5 Ų64.585%0.84933%0.331SS*.  trans-86.1134.1175.5-65.5-174.5177-171.3-1.8110K204K204-R206 PolarHBondContact O-N 2.92Å
207R97.9Very high97.1Very high32 Ų3264.7 Ų64.712%0.12133%0.332CS..SBendtrans-110.6151.8170.2-69.6178-68.3135.27.5109.2L61 L62 E64 P65 T66 C174 M175 M209L61-R207 PolarHBondContact O-NH1 3.27Å; L61-R207 PolarHBondContact O-NH2 3.2Å; L62-R207 HydrophobicContact CD2-CB 3.67Å; L62-R207 WeakPolarHBondContact CD2-O 3.17Å; E64-R207 PolarHBondContact O-NH2 3.13Å; P65-R207 PolarHBondContact O-NH2 2.93Å; T66-R207 PolarHBondContact OG1-NE 3.15Å; C174-R207 PolarHBondContact O-NH1 2.85Å; M175-R207 WeakPolarHBondContact O-CD 3.45Å; R207-M209 HydrophobicContact CG-CG 4.29Å
208P98Very high97.1Very high77 Ų7760.3 Ų60.350%0.531%0.306SS..SBendcis-71144.30.929-34000112.9N173N173-P208 HydrophobicContact CB-CB 3.8Å; N173-P208 CarbonylContact O-C 3.26Å; N173-P208 WeakPolarHBondContact O-CA 3.22Å
209M97.7Very high97.2Very high35 Ų3557.7 Ų57.717%0.17229%0.289CS..  trans-140.4143.4175.865.9177.7-63.100113.4R137 N173 L177 L205 R207 V217R137-M209 PolarHBondContact NH1-O 3.19Å; N173-M209 WeakPolarHBondContact CA-O 3.12Å; N173-M209 WeakPolarHBondContact CB-O 3.19Å; N173-M209 VanDerWaalsContact CG-O 3.24Å; N173-M209 PolarHBondContact O-N 3.48Å; N173-M209 PolarHBondContact OD1-O 2.83Å; L177-M209 HydrophobicContact CD1-SD 4.41Å; L205-M209 HydrophobicContact CB-SD 4.23Å; L205-M209 HydrophobicContact CD1-SD 4.4Å; L205-M209 HydrophobicContact CD2-CE 4.37Å; L205-M209 HydrophobicContact CD2-SD 4.37Å; R207-M209 HydrophobicContact CG-CG 4.29Å; M209-V217 HydrophobicContact CE-CB 4.49Å; M209-V217 HydrophobicContact CE-CG1 3.87Å; M209-V217 HydrophobicContact CE-CG2 4.06Å
210S95.7Very high97.2Very high87 Ų8756.9 Ų56.961%0.60829%0.285SS*.PPolyproline II helixtrans-75.9149.1163.154.40000110.5
211V95.6Very high97.2Very high24 Ų2453.5 Ų53.515%0.14527%0.267CS..PPolyproline II helixtrans-74.6126174.2177.90000109I142 V217 L218 L221I142-V211 HydrophobicContact CG2-CB 4.16Å; I142-V211 HydrophobicContact CG2-CG2 3.59Å; V211-V217 HydrophobicContact CG1-CG1 4.39Å; V211-L218 HydrophobicContact CG1-CD1 4.28Å; V211-L221 HydrophobicContact CB-CD1 4.43Å; V211-L221 HydrophobicContact CG1-CD1 4.09Å; V211-L221 HydrophobicContact CG2-CD1 3.48Å; V211-L221 VanDerWaalsContact CG2-CD1 3.48Å
212P95.6Very high97.1Very high52 Ų5252.8 Ų52.834%0.33826%0.262SS..PPolyproline II helixtrans-71.4161.7176.731.8-35.7000111.5D214 V217P212-D214 VanDerWaalsContact C-N 3.25Å; P212-D214 WeakPolarHBondContact CB-O 3.4Å; P212-D214 VanDerWaalsContact CG-O 3.3Å; P212-D214 WeakPolarHBondContact CG-O 3.09Å; P212-D214 PolarHBondContact O-N 3.11Å; P212-V217 HydrophobicContact CG-CB 3.96Å; P212-V217 HydrophobicContact CG-CG1 4.36Å
213N92.2Very high97.1Very high106 Ų10652.8 Ų52.857%0.56726%0.262SS*.SBendtrans-77.7-7178.2-64.3-28.7000113.9L218 L331N213-L218 WeakPolarHBondContact O-CD2 3.33Å; N213-L331 HydrophobicContact CB-CD1 4.22Å
214D93.8Very high97.1Very high91 Ų9149 Ų4949%0.48725%0.248SC..SBendtrans-153.5161.9174.2-177.728.5000109R195 P212R195-D214 IonicContact CZ-OD1 2.64Å; R195-D214 VanDerWaalsContact CZ-OD1 3.3Å; R195-D214 IonicContact CZ-OD2 3.15Å; R195-D214 IonicContact NH1-OD1 3.92Å; R195-D214 PolarHBondContact NH1-OD1 3.42Å; R195-D214 IonicContact NH1-OD2 3.74Å; R195-D214 PolarHBondContact NH1-OD2 2.79Å; R195-D214 IonicContact NH2-OD1 2.66Å; R195-D214 PolarHBondContact NH2-OD1 3.29Å; R195-D214 IonicContact NH2-OD2 3.06Å; R195-D214 PolarHBondContact NH2-OD2 3.24Å; P212-D214 VanDerWaalsContact C-N 3.25Å; P212-D214 WeakPolarHBondContact CB-O 3.4Å; P212-D214 VanDerWaalsContact CG-O 3.3Å; P212-D214 WeakPolarHBondContact CG-O 3.09Å; P212-D214 PolarHBondContact O-N 3.11Å
215G96.5Very high97Very high14 Ų1442.1 Ų42.114%0.14422%0.22CC..SBendtrans110.3169.3177.700000112.9R195 V217 L218 D219R195-G215 VanDerWaalsContact NH1-CA 3.29Å; G215-V217 PolarHBondContact O-N 3.32Å; G215-L218 WeakPolarHBondContact O-CB 3.46Å; G215-L218 PolarHBondContact O-N 2.89Å; G215-D219 PolarHBondContact O-N 2.83Å; G215-D219 VanDerWaalsContact O-N 3.16Å
216F98.1Very high96.9Very high34 Ų3442.8 Ų42.815%0.14922%0.223CC..Hα-helixtrans-60.4-23.6-17670.5-91.5000113.6R195 I196 Q201 I202 L205 D219 L220R195-F216 HydrophobicContact CB-CB 4.19Å; I196-F216 HydrophobicContact CD1-CB 4.03Å; I196-F216 HydrophobicContact CD1-CD2 4.05Å; I196-F216 HydrophobicContact CD1-CG 4.4Å; I196-F216 HydrophobicContact CG1-CB 3.63Å; I196-F216 HydrophobicContact CG1-CD2 3.82Å; I196-F216 HydrophobicContact CG1-CG 3.85Å; Q201-F216 HydrophobicContact CB-CE1 4.45Å; Q201-F216 HydrophobicContact CB-CE2 4.48Å; Q201-F216 HydrophobicContact CB-CZ 4.06Å; I202-F216 HydrophobicContact CG1-CE2 4.21Å; L205-F216 HydrophobicContact CD1-CE2 3.73Å; L205-F216 HydrophobicContact CD1-CZ 4Å; L205-F216 HydrophobicContact CD2-CZ 4.01Å; L205-F216 HydrophobicContact CG-CE2 4.37Å; L205-F216 HydrophobicContact CG-CZ 4.16Å; F216-D219 PolarHBondContact O-N 3.01Å; F216-L220 HydrophobicContact CD2-CD1 4.04Å; F216-L220 HydrophobicContact CE2-CD1 4.48Å; F216-L220 WeakPolarHBondContact O-CG 3.36Å; F216-L220 PolarHBondContact O-N 3.1Å
217V98.4Very high96.8Very high7 Ų736.2 Ų36.24%0.04221%0.208CC..Hα-helixtrans-66.6-39.1175.2178.20000111.5L177 L205 M209 V211 P212 G215L177-V217 HydrophobicContact CD1-CG1 3.92Å; L177-V217 HydrophobicContact CD1-CG2 4.37Å; L205-V217 HydrophobicContact CD1-CG2 3.69Å; L205-V217 HydrophobicContact CD2-CG2 4.08Å; M209-V217 HydrophobicContact CE-CB 4.49Å; M209-V217 HydrophobicContact CE-CG1 3.87Å; M209-V217 HydrophobicContact CE-CG2 4.06Å; V211-V217 HydrophobicContact CG1-CG1 4.39Å; P212-V217 HydrophobicContact CG-CB 3.96Å; P212-V217 HydrophobicContact CG-CG1 4.36Å; G215-V217 PolarHBondContact O-N 3.32Å
218L98.1Very high96.5Very high6 Ų641.3 Ų41.33%0.03124%0.238CC..Hα-helixtrans-65-45.9171.9-179.978.3000109.8V211 N213 G215 L220 L221 W222 T240V211-L218 HydrophobicContact CG1-CD1 4.28Å; N213-L218 WeakPolarHBondContact O-CD2 3.33Å; G215-L218 WeakPolarHBondContact O-CB 3.46Å; G215-L218 PolarHBondContact O-N 2.89Å; L218-L220 VanDerWaalsContact C-N 3.34Å; L218-L220 PolarHBondContact O-N 2.8Å; L218-L221 PolarHBondContact O-N 2.6Å; L218-W222 HydrophobicContact CD1-CG 4.34Å; L218-W222 PolarHBondContact O-N 3.33Å; L218-T240 WeakPolarHBondContact CD2-OG1 3.45Å
219D98.4Very high96.4Very high1 Ų138.4 Ų38.41%0.00522%0.219CC..Hα-helixtrans-60.9-40.9-178.3-58.6-19000112.6G191 S193 G215 F216 L221 W222 A223 S241 V242G191-D219 PolarHBondContact N-O 2.99Å; S193-D219 WeakPolarHBondContact CB-OD2 3.39Å; S193-D219 PolarHBondContact OG-OD2 3.16Å; G215-D219 PolarHBondContact O-N 2.83Å; G215-D219 VanDerWaalsContact O-N 3.16Å; F216-D219 PolarHBondContact O-N 3.01Å; D219-L221 PolarHBondContact O-N 3.35Å; D219-L221 VanDerWaalsContact O-N 3.1Å; D219-W222 PolarHBondContact O-N 3.09Å; D219-A223 HydrophobicContact CB-CB 4.26Å; D219-A223 WeakPolarHBondContact O-CB 3.35Å; D219-A223 PolarHBondContact O-N 3.17Å; D219-S241 WeakPolarHBondContact CA-OG 3.45Å; D219-S241 PolarHBondContact OD1-OG 3.15Å; D219-V242 HydrophobicContact CB-CG2 4.46Å
220L98.7Very high96.1Very high0 Ų045.6 Ų45.60%025%0.249CC..Hα-helixtrans-56.6-27174.2-72.6171.5000112.1L177 F186 V188 G190 G191 I196 I202 F216 L218L177-L220 HydrophobicContact CB-CD1 4.27Å; L177-L220 HydrophobicContact CD1-CD1 4.35Å; F186-L220 HydrophobicContact CE1-CD2 4.27Å; F186-L220 HydrophobicContact CZ-CD2 3.81Å; V188-L220 HydrophobicContact CG2-CB 3.91Å; V188-L220 HydrophobicContact CG2-CD2 3.6Å; V188-L220 HydrophobicContact CG2-CG 4.34Å; V188-L220 WeakPolarHBondContact CG2-O 3.19Å; G190-L220 VanDerWaalsContact CA-O 3.22Å; G190-L220 WeakPolarHBondContact CA-O 3.24Å; G190-L220 PolarHBondContact N-O 2.87Å; G191-L220 PolarHBondContact N-O 2.95Å; I196-L220 HydrophobicContact CD1-CD2 3.81Å; I196-L220 HydrophobicContact CD1-CG 4.17Å; I202-L220 HydrophobicContact CD1-CD1 4.09Å; I202-L220 HydrophobicContact CD1-CD2 4.18Å; I202-L220 HydrophobicContact CG1-CD1 4.23Å; F216-L220 HydrophobicContact CD2-CD1 4.04Å; F216-L220 HydrophobicContact CE2-CD1 4.48Å; F216-L220 WeakPolarHBondContact O-CG 3.36Å; F216-L220 PolarHBondContact O-N 3.1Å; L218-L220 VanDerWaalsContact C-N 3.34Å; L218-L220 PolarHBondContact O-N 2.8Å
221L98.3Very high96.1Very high0 Ų042.6 Ų42.60%023%0.232CC..Hα-helixtrans-101.6-22.7-178.1-57.4-175.9000113.8R137 N139 I142 L177 H189 V211 L218 D219R137-L221 HydrophobicContact CB-CD2 4.48Å; R137-L221 WeakPolarHBondContact O-CD2 3.45Å; N139-L221 HydrophobicContact CB-CB 4.17Å; N139-L221 WeakPolarHBondContact CB-O 3.42Å; I142-L221 HydrophobicContact CG2-CD1 4.46Å; L177-L221 HydrophobicContact CD2-CD2 4.3Å; H189-L221 HydrophobicContact CB-CD2 4.23Å; H189-L221 PolarHBondContact CD2-O 2.7Å; V211-L221 HydrophobicContact CB-CD1 4.43Å; V211-L221 HydrophobicContact CG1-CD1 4.09Å; V211-L221 HydrophobicContact CG2-CD1 3.48Å; V211-L221 VanDerWaalsContact CG2-CD1 3.48Å; L218-L221 PolarHBondContact O-N 2.6Å; D219-L221 PolarHBondContact O-N 3.35Å; D219-L221 VanDerWaalsContact O-N 3.1Å
222W98Very high96.2Very high40 Ų4044.6 Ų44.615%0.15224%0.237CC..Hα-helixtrans-129.6-8-168.2-73.596.9000115.3N139 I142 V145 L218 D219 R238 T240 S241 H265N139-W222 HydrophobicContact CB-CD2 3.85Å; N139-W222 VanDerWaalsContact CB-CE2 3.47Å; N139-W222 HydrophobicContact CB-CE3 4.4Å; N139-W222 HydrophobicContact CB-CG 4.27Å; N139-W222 HydrophobicContact CB-CH2 4.33Å; N139-W222 HydrophobicContact CB-CZ2 3.75Å; N139-W222 WeakPolarHBondContact ND2-CH2 3.26Å; N139-W222 WeakPolarHBondContact ND2-CZ2 3.3Å; N139-W222 VanDerWaalsContact ND2-CZ3 3.3Å; N139-W222 WeakPolarHBondContact ND2-CZ3 3.4Å; I142-W222 HydrophobicContact CD1-CZ2 4.21Å; V145-W222 HydrophobicContact CG2-CH2 4.11Å; V145-W222 HydrophobicContact CG2-CZ2 3.71Å; L218-W222 HydrophobicContact CD1-CG 4.34Å; L218-W222 PolarHBondContact O-N 3.33Å; D219-W222 PolarHBondContact O-N 3.09Å; W222-R238 HydrophobicContact CE3-CB 4.35Å; W222-R238 HydrophobicContact CE3-CG 4.49Å; W222-T240 HydrophobicContact CB-CG2 4.06Å; W222-T240 HydrophobicContact CD2-CG2 3.7Å; W222-T240 HydrophobicContact CE3-CG2 3.71Å; W222-T240 HydrophobicContact CG-CG2 3.9Å; W222-T240 HydrophobicContact CZ3-CG2 4.34Å; W222-S241 VanDerWaalsContact CB-CB 3.48Å; W222-H265 AromaticContact CE3-CE1 3.96Å; W222-H265 AromaticContact CE3-NE2 3.93Å
223A97.8Very high96.3Very high0 Ų046.2 Ų46.20%024%0.24CC..  trans-72.2141.1-179.400000111.2G190 G191 D219 S241 V242 F244 R263G190-A223 CarbonylContact C-O 3.54Å; G191-A223 PolarHBondContact N-O 3.15Å; D219-A223 HydrophobicContact CB-CB 4.26Å; D219-A223 WeakPolarHBondContact O-CB 3.35Å; D219-A223 PolarHBondContact O-N 3.17Å; A223-S241 VanDerWaalsContact CA-OG 3.25Å; A223-S241 WeakPolarHBondContact CA-OG 3.33Å; A223-S241 WeakPolarHBondContact CB-OG 3.42Å; A223-S241 PolarHBondContact N-OG 3.16Å; A223-S241 VanDerWaalsContact N-OG 3.09Å; A223-V242 WeakPolarHBondContact CA-O 3.12Å; A223-V242 HydrophobicContact CB-CG2 4Å; A223-V242 WeakPolarHBondContact CB-O 3.39Å; A223-F244 HydrophobicContact CB-CD1 3.98Å; A223-F244 HydrophobicContact CB-CE1 3.77Å; A223-R263 PolarHBondContact O-NH2 2.97Å
224D97.5Very high96.5Very high4 Ų444.8 Ų44.82%0.02124%0.243CC..EExtended strand (participates in β ladder)trans-122.4142-178.4-73.9-43000112.4N235 R238 V242 S243 F244 R263 H265 E266D224-N235 PolarHBondContact OD2-ND2 2.93Å; D224-R238 IonicContact OD1-NH2 3.68Å; D224-R238 VanDerWaalsContact OD2-CG 3.26Å; D224-R238 WeakPolarHBondContact OD2-CG 3.45Å; D224-R238 IonicContact OD2-CZ 3.55Å; D224-R238 IonicContact OD2-NE 3.23Å; D224-R238 PolarHBondContact OD2-NE 2.88Å; D224-R238 IonicContact OD2-NH2 2.8Å; D224-V242 PolarHBondContact N-O 2.88Å; D224-S243 CarbonylContact O-C 3.56Å; D224-S243 WeakPolarHBondContact O-CA 3.19Å; D224-F244 VanDerWaalsContact O-CD1 3.31Å; D224-F244 WeakPolarHBondContact O-CD1 3.11Å; D224-F244 WeakPolarHBondContact O-CE1 3.33Å; D224-F244 PolarHBondContact O-N 2.8Å; D224-R263 IonicContact OD1-CZ 3.18Å; D224-R263 IonicContact OD1-NH1 3.13Å; D224-R263 PolarHBondContact OD1-NH1 2.84Å; D224-R263 IonicContact OD1-NH2 3.93Å; D224-R263 PolarHBondContact OD1-NH2 3.36Å; D224-H265 IonicContact OD1-CD2 2.89Å; D224-H265 PolarHBondContact OD1-CD2 3.47Å; D224-H265 IonicContact OD1-NE2 3.91Å; D224-H265 IonicContact OD2-CD2 3.47Å; D224-E266 VanDerWaalsContact CB-OE1 3.29Å; D224-E266 WeakPolarHBondContact CB-OE1 3.41Å; D224-E266 VanDerWaalsContact OD1-CD 3.29Å
225P96.7Very high96.6Very high14 Ų1440.7 Ų40.79%0.09122%0.221CC..EExtended strand (participates in β ladder)trans-71.8136.9171.133.6-35.1000110.4F244 F271 L276P225-F244 CarbonylContact C-O 3.16Å; P225-F244 VanDerWaalsContact CA-O 3.26Å; P225-F244 WeakPolarHBondContact CA-O 3.33Å; P225-F244 HydrophobicContact CB-CD2 4.33Å; P225-F244 HydrophobicContact CB-CE2 3.73Å; P225-F244 HydrophobicContact CB-CZ 3.94Å; P225-F244 HydrophobicContact CG-CZ 4.46Å; P225-F271 HydrophobicContact CB-CD2 3.75Å; P225-F271 HydrophobicContact CB-CE1 4.47Å; P225-F271 HydrophobicContact CB-CE2 3.59Å; P225-F271 HydrophobicContact CB-CG 4.28Å; P225-F271 HydrophobicContact CB-CZ 3.97Å; P225-F271 HydrophobicContact CG-CD2 4.07Å; P225-F271 HydrophobicContact CG-CE2 4.19Å; P225-L276 HydrophobicContact CB-CD1 4.31Å; P225-L276 HydrophobicContact CB-CD2 4.47Å; P225-L276 HydrophobicContact CG-CD2 4.15Å
226N95.1Very high96.5Very high50 Ų5048.2 Ų48.227%0.26725%0.252SS..  trans-143.7129.3179.8-172-23.1000110.6D228 V229 F244 C245N226-D228 VanDerWaalsContact C-N 3.31Å; N226-D228 WeakPolarHBondContact OD1-CB 3.43Å; N226-D228 PolarHBondContact OD1-N 3.02Å; N226-V229 HydrophobicContact CB-CG1 4.12Å; N226-V229 HydrophobicContact CB-CG2 4.01Å; N226-F244 PolarHBondContact N-O 3.23Å; N226-C245 WeakPolarHBondContact O-CA 3.18Å; N226-C245 WeakPolarHBondContact O-CB 3.38Å
227T93.7Very high96.2Very high87 Ų8752 Ų5253%0.53427%0.274SS..SBendtrans-75-20.7179.851.20000113.5F271 P272T227-F271 HydrophobicContact CG2-CE1 4.43Å; T227-F271 HydrophobicContact CG2-CE2 3.98Å; T227-F271 HydrophobicContact CG2-CZ 3.64Å; T227-P272 HydrophobicContact CG2-CG 3.99Å
228D93.7Very high95.8Very high139 Ų13953.3 Ų53.374%0.74328%0.278SS*.SBendtrans-92.3-11.9-170.4-59.3-24.3000113N226N226-D228 VanDerWaalsContact C-N 3.31Å; N226-D228 WeakPolarHBondContact OD1-CB 3.43Å; N226-D228 PolarHBondContact OD1-N 3.02Å
229V94Very high95.6Very high15 Ų1556.7 Ų56.79%0.09130%0.296CS..SBendtrans-92.4157.1-179.3-56.10000112.5N226 E233 C245N226-V229 HydrophobicContact CB-CG1 4.12Å; N226-V229 HydrophobicContact CB-CG2 4.01Å; V229-E233 HydrophobicContact CB-CB 4.12Å; V229-E233 HydrophobicContact CB-CG 4.07Å; V229-E233 HydrophobicContact CG1-CB 4.11Å; V229-E233 HydrophobicContact CG1-CG 4.49Å; V229-C245 HydrophobicContact CG2-CB 4.02Å; V229-C245 VanDerWaalsContact O-CB 3.26Å; V229-C245 WeakPolarHBondContact O-CB 3.37Å
230K93.1Very high95.4Very high186 Ų18657.8 Ų57.881%0.80930%0.303SS*.SBendtrans-111.5100176.2-66.6-179.7-175.8174.50110.9E233K230-E233 PolarHBondContact N-OE1 3.19Å
231G95.9Very high95.3Very high24 Ų2458.7 Ų58.725%0.24731%0.309CS..SBendtrans86.9-120.6-179.800000110.8F244 C245 S248G231-F244 WeakPolarHBondContact O-CA 3.42Å; G231-C245 PolarHBondContact N-SG 3.34Å; G231-C245 PolarHBondContact O-N 3.38Å; G231-S248 WeakPolarHBondContact CA-OG 3.45Å; G231-S248 PolarHBondContact O-OG 2.93Å
232Y97.3Very high95.3Very high66 Ų6659.6 Ų59.626%0.25932%0.315SS..EExtended strand (participates in β ladder)trans-116.3121.6173.3-68-97.5000108.6I192 H194 V242 S243 F244I192-Y232 WeakPolarHBondContact CD1-OH 3.42Å; I192-Y232 HydrophobicContact CG1-CE1 4.15Å; H194-Y232 HydrophobicContact CB-CD1 4.2Å; H194-Y232 HydrophobicContact CB-CD2 3.64Å; H194-Y232 HydrophobicContact CB-CE1 4.2Å; H194-Y232 HydrophobicContact CB-CE2 3.65Å; H194-Y232 HydrophobicContact CB-CG 3.92Å; H194-Y232 AromaticContact ND1-CD1 3.96Å; H194-Y232 AromaticContact ND1-CG 3.92Å; Y232-V242 HydrophobicContact CD1-CB 4.43Å; Y232-V242 HydrophobicContact CD1-CG2 3.89Å; Y232-S243 WeakPolarHBondContact CA-O 3.26Å; Y232-F244 HydrophobicContact CD1-CB 3.84Å; Y232-F244 HydrophobicContact CE1-CB 3.8Å
233E97.4Very high95.3Very high87 Ų8757.9 Ų57.941%0.40731%0.309SS..EExtended strand (participates in β ladder)trans-126.3167179.1-67.9-177.2-159.800110V229 K230 N235 V242 S243V229-E233 HydrophobicContact CB-CB 4.12Å; V229-E233 HydrophobicContact CB-CG 4.07Å; V229-E233 HydrophobicContact CG1-CB 4.11Å; V229-E233 HydrophobicContact CG1-CG 4.49Å; K230-E233 PolarHBondContact N-OE1 3.19Å; E233-N235 PolarHBondContact O-N 2.74Å; E233-V242 CarbonylContact O-C 3.12Å; E233-V242 WeakPolarHBondContact O-CA 3.28Å; E233-V242 WeakPolarHBondContact O-CB 3.49Å; E233-S243 PolarHBondContact N-O 3.31Å; E233-S243 PolarHBondContact O-N 3.06Å
234A96.4Very high95.3Very high76 Ų7657.9 Ų57.963%0.62831%0.309SS*.EExtended strand (participates in β ladder)trans-62.8133.9176.200000110.2E236A234-E236 PolarHBondContact O-N 3.48Å
235N96.1Very high95.2Very high4 Ų458.4 Ų58.42%0.02131%0.312CS..  trans-79.992.5175.9-173.2-20.8000109.6D224 E233 L237 R238 N239 T240 S241D224-N235 PolarHBondContact OD2-ND2 2.93Å; E233-N235 PolarHBondContact O-N 2.74Å; N235-L237 VanDerWaalsContact C-N 3.28Å; N235-L237 PolarHBondContact O-N 2.76Å; N235-L237 WeakPolarHBondContact OD1-CB 3.44Å; N235-L237 PolarHBondContact OD1-N 2.94Å; N235-R238 HydrophobicContact CB-CB 4.48Å; N235-R238 WeakPolarHBondContact ND2-CG 3.25Å; N235-R238 PolarHBondContact O-N 3.26Å; N235-R238 PolarHBondContact OD1-N 3.27Å; N235-R238 VanDerWaalsContact OD1-N 3.08Å; N235-N239 VanDerWaalsContact O-CA 3.28Å; N235-N239 WeakPolarHBondContact O-CA 3.3Å; N235-N239 PolarHBondContact O-N 2.97Å; N235-T240 WeakPolarHBondContact CB-O 3.34Å; N235-S241 PolarHBondContact N-O 3.29Å
236E93.4Very high95.2Very high172 Ų17261.5 Ų61.580%0.80433%0.326SS*.THydrogen-bonded Turntrans-65.4-30.7-179.2-62.2-170165.500112.9A234A234-E236 PolarHBondContact O-N 3.48Å
237L91.6Very high95.3Very high115 Ų11565.1 Ų65.160%0.60234%0.339SS*.THydrogen-bonded Turntrans-64.8-44.6179.5179.364.9000111N235N235-L237 VanDerWaalsContact C-N 3.28Å; N235-L237 PolarHBondContact O-N 2.76Å; N235-L237 WeakPolarHBondContact OD1-CB 3.44Å; N235-L237 PolarHBondContact OD1-N 2.94Å
238R91.5Very high95.5Very high34 Ų3461.2 Ų61.213%0.12832%0.316CS..THydrogen-bonded Turntrans-87.9-21.4178.7-53.4-62.2179.2-175.64.4112.9W222 D224 N235 T240 H265 E266 E326W222-R238 HydrophobicContact CE3-CB 4.35Å; W222-R238 HydrophobicContact CE3-CG 4.49Å; D224-R238 IonicContact OD1-NH2 3.68Å; D224-R238 VanDerWaalsContact OD2-CG 3.26Å; D224-R238 WeakPolarHBondContact OD2-CG 3.45Å; D224-R238 IonicContact OD2-CZ 3.55Å; D224-R238 IonicContact OD2-NE 3.23Å; D224-R238 PolarHBondContact OD2-NE 2.88Å; D224-R238 IonicContact OD2-NH2 2.8Å; N235-R238 HydrophobicContact CB-CB 4.48Å; N235-R238 WeakPolarHBondContact ND2-CG 3.25Å; N235-R238 PolarHBondContact O-N 3.26Å; N235-R238 PolarHBondContact OD1-N 3.27Å; N235-R238 VanDerWaalsContact OD1-N 3.08Å; R238-T240 HydrophobicContact CB-CG2 3.92Å; R238-T240 PolarHBondContact O-N 2.94Å; R238-H265 PolarHBondContact NE-NE2 2.91Å; R238-E266 IonicContact CZ-OE2 3.99Å; R238-E266 IonicContact NH2-OE2 3.47Å; R238-E266 PolarHBondContact NH2-OE2 3.09Å; R238-E326 IonicContact NH1-OE2 2.74Å
239N93.6Very high95.7Very high76 Ų7654.8 Ų54.841%0.40628%0.281SS..THydrogen-bonded Turntrans51.836.3-170.4-170.669.9000113N235 P328 I330N235-N239 VanDerWaalsContact O-CA 3.28Å; N235-N239 WeakPolarHBondContact O-CA 3.3Å; N235-N239 PolarHBondContact O-N 2.97Å; N239-P328 HydrophobicContact CB-CB 3Å; N239-P328 HydrophobicContact CB-CG 3.84Å; N239-I330 WeakPolarHBondContact ND2-CG1 3.44Å
240T94.1Very high95.9Very high24 Ų2457.7 Ų57.715%0.14729%0.294CS..SBendtrans-162.7155.8177.3-170.50000107L218 W222 N235 R238L218-T240 WeakPolarHBondContact CD2-OG1 3.45Å; W222-T240 HydrophobicContact CB-CG2 4.06Å; W222-T240 HydrophobicContact CD2-CG2 3.7Å; W222-T240 HydrophobicContact CE3-CG2 3.71Å; W222-T240 HydrophobicContact CG-CG2 3.9Å; W222-T240 HydrophobicContact CZ3-CG2 4.34Å; N235-T240 WeakPolarHBondContact CB-O 3.34Å; R238-T240 HydrophobicContact CB-CG2 3.92Å; R238-T240 PolarHBondContact O-N 2.94Å
241S96.7Very high96.1Very high19 Ų1952.6 Ų52.613%0.13328%0.275CS..SBendtrans60.6-161.6-180-174.60000113.1D219 W222 A223 N235D219-S241 WeakPolarHBondContact CA-OG 3.45Å; D219-S241 PolarHBondContact OD1-OG 3.15Å; W222-S241 VanDerWaalsContact CB-CB 3.48Å; A223-S241 VanDerWaalsContact CA-OG 3.25Å; A223-S241 WeakPolarHBondContact CA-OG 3.33Å; A223-S241 WeakPolarHBondContact CB-OG 3.42Å; A223-S241 PolarHBondContact N-OG 3.16Å; A223-S241 VanDerWaalsContact N-OG 3.09Å; N235-S241 PolarHBondContact N-O 3.29Å
242V97.2Very high96.3Very high19 Ų1951.8 Ų51.812%0.11527%0.265CS..EExtended strand (participates in β ladder)trans-124.5150.4-173.1-63.60000111.8D219 A223 D224 Y232 E233D219-V242 HydrophobicContact CB-CG2 4.46Å; A223-V242 WeakPolarHBondContact CA-O 3.12Å; A223-V242 HydrophobicContact CB-CG2 4Å; A223-V242 WeakPolarHBondContact CB-O 3.39Å; D224-V242 PolarHBondContact N-O 2.88Å; Y232-V242 HydrophobicContact CD1-CB 4.43Å; Y232-V242 HydrophobicContact CD1-CG2 3.89Å; E233-V242 CarbonylContact O-C 3.12Å; E233-V242 WeakPolarHBondContact O-CA 3.28Å; E233-V242 WeakPolarHBondContact O-CB 3.49Å
243S97.7Very high96.3Very high4 Ų449 Ų493%0.02825%0.254CS..EExtended strand (participates in β ladder)trans-95.7148.2162.1-66.40000109.6D224 Y232 E233D224-S243 CarbonylContact O-C 3.56Å; D224-S243 WeakPolarHBondContact O-CA 3.19Å; Y232-S243 WeakPolarHBondContact CA-O 3.26Å; E233-S243 PolarHBondContact N-O 3.31Å; E233-S243 PolarHBondContact O-N 3.06Å
244F97.9Very high96.4Very high0 Ų053 Ų530%027%0.27CS..EExtended strand (participates in β ladder)trans-137.6142-178.358.9-90.8000112.8I192 A223 D224 P225 N226 G231 Y232 I249 L276I192-F244 HydrophobicContact CD1-CD2 3.75Å; I192-F244 HydrophobicContact CD1-CE2 4.09Å; I192-F244 HydrophobicContact CD1-CG 4.16Å; I192-F244 HydrophobicContact CG1-CB 4.41Å; I192-F244 HydrophobicContact CG1-CD1 3.97Å; I192-F244 HydrophobicContact CG1-CD2 3.65Å; I192-F244 HydrophobicContact CG1-CE1 4.13Å; I192-F244 HydrophobicContact CG1-CE2 3.81Å; I192-F244 HydrophobicContact CG1-CG 3.73Å; I192-F244 HydrophobicContact CG1-CZ 4.06Å; A223-F244 HydrophobicContact CB-CD1 3.98Å; A223-F244 HydrophobicContact CB-CE1 3.77Å; D224-F244 VanDerWaalsContact O-CD1 3.31Å; D224-F244 WeakPolarHBondContact O-CD1 3.11Å; D224-F244 WeakPolarHBondContact O-CE1 3.33Å; D224-F244 PolarHBondContact O-N 2.8Å; P225-F244 CarbonylContact C-O 3.16Å; P225-F244 VanDerWaalsContact CA-O 3.26Å; P225-F244 WeakPolarHBondContact CA-O 3.33Å; P225-F244 HydrophobicContact CB-CD2 4.33Å; P225-F244 HydrophobicContact CB-CE2 3.73Å; P225-F244 HydrophobicContact CB-CZ 3.94Å; P225-F244 HydrophobicContact CG-CZ 4.46Å; N226-F244 PolarHBondContact N-O 3.23Å; G231-F244 WeakPolarHBondContact O-CA 3.42Å; Y232-F244 HydrophobicContact CD1-CB 3.84Å; Y232-F244 HydrophobicContact CE1-CB 3.8Å; F244-I249 HydrophobicContact CD2-CD1 4.21Å; F244-I249 HydrophobicContact CD2-CG1 3.75Å; F244-I249 HydrophobicContact CE2-CD1 4.03Å; F244-I249 HydrophobicContact CE2-CG1 3.78Å; F244-L276 HydrophobicContact CE2-CD1 3.69Å; F244-L276 HydrophobicContact CZ-CD1 4.02Å
245C96.7Very high96.5Very high15 Ų1554.2 Ų54.210%0.10127%0.266CS..  trans-98.2178.8-176.971.60000114.1N226 V229 G231 K247 S248 I249N226-C245 WeakPolarHBondContact O-CA 3.18Å; N226-C245 WeakPolarHBondContact O-CB 3.38Å; V229-C245 HydrophobicContact CG2-CB 4.02Å; V229-C245 VanDerWaalsContact O-CB 3.26Å; V229-C245 WeakPolarHBondContact O-CB 3.37Å; G231-C245 PolarHBondContact N-SG 3.34Å; G231-C245 PolarHBondContact O-N 3.38Å; C245-K247 VanDerWaalsContact C-N 3.29Å; C245-K247 PolarHBondContact O-N 3.41Å; C245-S248 WeakPolarHBondContact O-CB 3.11Å; C245-S248 PolarHBondContact O-N 2.92Å; C245-I249 PolarHBondContact O-N 3.45Å; C245-I249 VanDerWaalsContact O-N 3.12Å
246E96.9Very high96.6Very high80 Ų8055.3 Ų55.337%0.37427%0.271SS..Hα-helixtrans-51.8-44.7178.1-174177.5-16700112.4S248 I249 E250 F271 G273E246-S248 VanDerWaalsContact C-N 3.31Å; E246-S248 PolarHBondContact O-N 3.41Å; E246-I249 WeakPolarHBondContact O-CB 3.5Å; E246-I249 PolarHBondContact O-N 2.81Å; E246-I249 VanDerWaalsContact O-N 3.14Å; E246-E250 WeakPolarHBondContact O-CG 3.36Å; E246-E250 PolarHBondContact O-N 3.31Å; E246-F271 HydrophobicContact CB-CE1 4.32Å; E246-G273 WeakPolarHBondContact OE1-CA 3.45Å; E246-G273 PolarHBondContact OE1-N 3.08Å
247K96.8Very high96.8Very high126 Ų12652.3 Ų52.355%0.54827%0.269SS..Hα-helixtrans-60.1-40.6177.5-174.3-178.5-178.8-61.60112.2C245 I249 E250 D251C245-K247 VanDerWaalsContact C-N 3.29Å; C245-K247 PolarHBondContact O-N 3.41Å; K247-I249 VanDerWaalsContact C-N 3.31Å; K247-I249 PolarHBondContact O-N 2.74Å; K247-E250 PolarHBondContact O-N 3.23Å; K247-D251 IonicContact NZ-OD1 2.69Å; K247-D251 IonicContact NZ-OD2 3.76Å; K247-D251 PolarHBondContact NZ-OD2 2.78Å; K247-D251 WeakPolarHBondContact O-CB 3.27Å; K247-D251 VanDerWaalsContact O-CG 3.3Å; K247-D251 PolarHBondContact O-N 2.8Å
248S97.8Very high97.1Very high5 Ų547.7 Ų47.74%0.03524%0.244CC..Hα-helixtrans-64.9-36.6178.1-60.60000111.8I192 G231 C245 E246 F252I192-S248 WeakPolarHBondContact CD1-O 3.08Å; G231-S248 WeakPolarHBondContact CA-OG 3.45Å; G231-S248 PolarHBondContact O-OG 2.93Å; C245-S248 WeakPolarHBondContact O-CB 3.11Å; C245-S248 PolarHBondContact O-N 2.92Å; E246-S248 VanDerWaalsContact C-N 3.31Å; E246-S248 PolarHBondContact O-N 3.41Å; S248-F252 VanDerWaalsContact O-CB 3.31Å; S248-F252 WeakPolarHBondContact O-CB 3.12Å; S248-F252 PolarHBondContact O-N 3.38Å
249I98.3Very high97.4Very high3 Ų349.4 Ų49.42%0.01526%0.262CS..Hα-helixtrans-62.2-50.2173-65.7167.4000109.9I192 F244 C245 E246 K247 F252 L253 I261 F271 K275 L276I192-I249 HydrophobicContact CD1-CG1 4.27Å; F244-I249 HydrophobicContact CD2-CD1 4.21Å; F244-I249 HydrophobicContact CD2-CG1 3.75Å; F244-I249 HydrophobicContact CE2-CD1 4.03Å; F244-I249 HydrophobicContact CE2-CG1 3.78Å; C245-I249 PolarHBondContact O-N 3.45Å; C245-I249 VanDerWaalsContact O-N 3.12Å; E246-I249 WeakPolarHBondContact O-CB 3.5Å; E246-I249 PolarHBondContact O-N 2.81Å; E246-I249 VanDerWaalsContact O-N 3.14Å; K247-I249 VanDerWaalsContact C-N 3.31Å; K247-I249 PolarHBondContact O-N 2.74Å; I249-F252 PolarHBondContact O-N 3.39Å; I249-L253 HydrophobicContact CG2-CD1 3.95Å; I249-L253 WeakPolarHBondContact O-CB 2.91Å; I249-L253 VanDerWaalsContact O-CG 3.31Å; I249-L253 WeakPolarHBondContact O-CG 3.45Å; I249-L253 PolarHBondContact O-N 3.16Å; I249-I261 HydrophobicContact CG2-CD1 4.17Å; I249-F271 HydrophobicContact CD1-CD1 3.59Å; I249-F271 HydrophobicContact CD1-CE1 3.84Å; I249-F271 HydrophobicContact CD1-CG 4.39Å; I249-K275 HydrophobicContact CG2-CB 3.79Å; I249-L276 HydrophobicContact CD1-CB 3.89Å; I249-L276 HydrophobicContact CD1-CD1 3.82Å; I249-L276 HydrophobicContact CD1-CG 4.47Å; I249-L276 HydrophobicContact CG1-CD1 4.22Å; I249-L276 HydrophobicContact CG2-CB 4.37Å
250E97.9Very high97.6Very high77 Ų7746.7 Ų46.736%0.3625%0.247SC..Hα-helixtrans-61.9-45179.8-64.1-165.2133.300113E246 K247 L253 K254 K275E246-E250 WeakPolarHBondContact O-CG 3.36Å; E246-E250 PolarHBondContact O-N 3.31Å; K247-E250 PolarHBondContact O-N 3.23Å; E250-L253 PolarHBondContact O-N 2.83Å; E250-K254 VanDerWaalsContact O-CB 3.29Å; E250-K254 WeakPolarHBondContact O-CB 3.09Å; E250-K254 PolarHBondContact O-N 2.79Å; E250-K275 HydrophobicContact CG-CD 3.88Å; E250-K275 IonicContact OE1-NZ 3.3Å; E250-K275 PolarHBondContact OE1-NZ 2.91Å
251D97.9Very high97.9Very high79 Ų7945.6 Ų45.642%0.42224%0.24SC..Hα-helixtrans-63.2-42.3178.8-73.4-24.3000111K247 K254 L255K247-D251 IonicContact NZ-OD1 2.69Å; K247-D251 IonicContact NZ-OD2 3.76Å; K247-D251 PolarHBondContact NZ-OD2 2.78Å; K247-D251 WeakPolarHBondContact O-CB 3.27Å; K247-D251 VanDerWaalsContact O-CG 3.3Å; K247-D251 PolarHBondContact O-N 2.8Å; D251-K254 PolarHBondContact O-N 3.18Å; D251-L255 VanDerWaalsContact O-CB 3.24Å; D251-L255 WeakPolarHBondContact O-CB 3.28Å; D251-L255 PolarHBondContact O-N 3.13Å
252F98.6Very high97.9Very high6 Ų644.7 Ų44.73%0.02623%0.234CC..Hα-helixtrans-63.9-48.8176.9-178.8-87.2000111.9F186 I192 I196 L199 S248 I249 K254 L255 H256 L258 I261F186-F252 AromaticContact CD1-CE1 3.99Å; F186-F252 HydrophobicContact CD1-CE1 3.99Å; F186-F252 HydrophobicContact CD1-CZ 4.24Å; F186-F252 HydrophobicContact CE1-CE1 4.36Å; F186-F252 HydrophobicContact CE1-CZ 4.15Å; F186-F252 HydrophobicContact CG-CE1 4.25Å; F186-F252 HydrophobicContact CZ-CZ 4.42Å; I192-F252 HydrophobicContact CB-CD2 3.9Å; I192-F252 HydrophobicContact CB-CE2 4.1Å; I192-F252 HydrophobicContact CB-CG 4.13Å; I192-F252 HydrophobicContact CD1-CB 3.81Å; I192-F252 HydrophobicContact CD1-CG 4.15Å; I192-F252 HydrophobicContact CG2-CD1 3.69Å; I192-F252 HydrophobicContact CG2-CD2 3.9Å; I192-F252 HydrophobicContact CG2-CE1 3.72Å; I192-F252 HydrophobicContact CG2-CE2 3.92Å; I192-F252 HydrophobicContact CG2-CG 3.79Å; I192-F252 HydrophobicContact CG2-CZ 3.83Å; I196-F252 HydrophobicContact CB-CE2 4.23Å; I196-F252 HydrophobicContact CG2-CE2 4.15Å; L199-F252 HydrophobicContact CD2-CZ 4.19Å; S248-F252 VanDerWaalsContact O-CB 3.31Å; S248-F252 WeakPolarHBondContact O-CB 3.12Å; S248-F252 PolarHBondContact O-N 3.38Å; I249-F252 PolarHBondContact O-N 3.39Å; F252-K254 VanDerWaalsContact C-N 3.31Å; F252-K254 PolarHBondContact O-N 2.89Å; F252-L255 PolarHBondContact O-N 2.77Å; F252-H256 AromaticContact CD1-CD2 3.9Å; F252-H256 AromaticContact CD2-CD2 3.62Å; F252-H256 AromaticContact CD2-NE2 3.67Å; F252-H256 AromaticContact CE1-CD2 3.74Å; F252-H256 AromaticContact CE2-CD2 3.45Å; F252-H256 VanDerWaalsContact CE2-CD2 3.45Å; F252-H256 WeakPolarHBondContact CE2-CD2 3.29Å; F252-H256 AromaticContact CE2-NE2 3.42Å; F252-H256 WeakPolarHBondContact CE2-NE2 3.34Å; F252-H256 AromaticContact CG-CD2 3.84Å; F252-H256 AromaticContact CZ-CD2 3.51Å; F252-H256 AromaticContact CZ-NE2 3.89Å; F252-H256 PolarHBondContact O-CD2 3.42Å; F252-H256 PolarHBondContact O-N 3.21Å; F252-H256 VanDerWaalsContact O-N 3.11Å; F252-L258 HydrophobicContact CE1-CD1 3.95Å; F252-I261 HydrophobicContact CD1-CD1 4.01Å; F252-I261 HydrophobicContact CE1-CD1 4.49Å
253L98.6Very high98Very high7 Ų743.8 Ų43.84%0.03723%0.228CC..Hα-helixtrans-59.3-44.4178.2-73.9174.7000111.3I249 E250 H256 S257 L258 I261 K275I249-L253 HydrophobicContact CG2-CD1 3.95Å; I249-L253 WeakPolarHBondContact O-CB 2.91Å; I249-L253 VanDerWaalsContact O-CG 3.31Å; I249-L253 WeakPolarHBondContact O-CG 3.45Å; I249-L253 PolarHBondContact O-N 3.16Å; E250-L253 PolarHBondContact O-N 2.83Å; L253-H256 PolarHBondContact O-N 2.95Å; L253-S257 PolarHBondContact O-N 3.28Å; L253-L258 HydrophobicContact CD2-CB 3.49Å; L253-L258 VanDerWaalsContact CD2-CB 3.49Å; L253-L258 HydrophobicContact CD2-CD1 4.44Å; L253-L258 PolarHBondContact O-N 2.63Å; L253-I261 HydrophobicContact CD2-CD1 4.38Å; L253-I261 HydrophobicContact CD2-CG1 3.89Å; L253-I261 HydrophobicContact CG-CD1 4.4Å; L253-I261 HydrophobicContact CG-CG1 4.4Å; L253-K275 HydrophobicContact CD1-CB 3.67Å; L253-K275 HydrophobicContact CD1-CD 4Å; L253-K275 HydrophobicContact CD1-CG 4.03Å
254K98.2Very high98Very high172 Ų17243.6 Ų43.675%0.74823%0.227SC*.Hα-helixtrans-64.1-45177.1-176.8179.4178.1-178.40112.1E250 D251 F252 H256 S257E250-K254 VanDerWaalsContact O-CB 3.29Å; E250-K254 WeakPolarHBondContact O-CB 3.09Å; E250-K254 PolarHBondContact O-N 2.79Å; D251-K254 PolarHBondContact O-N 3.18Å; F252-K254 VanDerWaalsContact C-N 3.31Å; F252-K254 PolarHBondContact O-N 2.89Å; K254-H256 VanDerWaalsContact C-N 3.27Å; K254-H256 PolarHBondContact O-N 2.89Å; K254-S257 PolarHBondContact O-N 3.11Å
255L98.4Very high97.8Very high102 Ų10244.2 Ų44.253%0.53423%0.23SC..Hα-helixtrans-58-41.2-179.6177.562000111.7D251 F252D251-L255 VanDerWaalsContact O-CB 3.24Å; D251-L255 WeakPolarHBondContact O-CB 3.28Å; D251-L255 PolarHBondContact O-N 3.13Å; F252-L255 PolarHBondContact O-N 2.77Å
256H98.4Very high97.2Very high27 Ų2746 Ų4613%0.12524%0.237CC..THydrogen-bonded Turntrans-99.37.5-175.4-59.2-59.4000114I196 L199 F252 L253 K254 L258I196-H256 PolarHBondContact O-CE1 2.97Å; I196-H256 PolarHBondContact O-NE2 3.14Å; L199-H256 HydrophobicContact CD1-CB 4.18Å; L199-H256 HydrophobicContact CG-CB 4.17Å; F252-H256 AromaticContact CD1-CD2 3.9Å; F252-H256 AromaticContact CD2-CD2 3.62Å; F252-H256 AromaticContact CD2-NE2 3.67Å; F252-H256 AromaticContact CE1-CD2 3.74Å; F252-H256 AromaticContact CE2-CD2 3.45Å; F252-H256 VanDerWaalsContact CE2-CD2 3.45Å; F252-H256 WeakPolarHBondContact CE2-CD2 3.29Å; F252-H256 AromaticContact CE2-NE2 3.42Å; F252-H256 WeakPolarHBondContact CE2-NE2 3.34Å; F252-H256 AromaticContact CG-CD2 3.84Å; F252-H256 AromaticContact CZ-CD2 3.51Å; F252-H256 AromaticContact CZ-NE2 3.89Å; F252-H256 PolarHBondContact O-CD2 3.42Å; F252-H256 PolarHBondContact O-N 3.21Å; F252-H256 VanDerWaalsContact O-N 3.11Å; L253-H256 PolarHBondContact O-N 2.95Å; K254-H256 VanDerWaalsContact C-N 3.27Å; K254-H256 PolarHBondContact O-N 2.89Å; H256-L258 VanDerWaalsContact C-N 3.29Å; H256-L258 HydrophobicContact CB-CD1 3.74Å; H256-L258 HydrophobicContact CB-CG 3.87Å; H256-L258 PolarHBondContact O-N 3.5Å
257S98Very high96.3Very high108 Ų10843.7 Ų43.776%0.75523%0.234SC*.THydrogen-bonded Turntrans54.740.6-177-54.90000114.1L253 K254L253-S257 PolarHBondContact O-N 3.28Å; K254-S257 PolarHBondContact O-N 3.11Å
258L98.5Very high95.8Very high18 Ų1838.9 Ų38.99%0.09421%0.213CC..  trans-103.8162.3-179.8-60.9170.7000111.2L180 G183 A184 F186 L199 F252 L253 H256L180-L258 HydrophobicContact CD2-CD2 3.65Å; G183-L258 WeakPolarHBondContact O-CD2 3.45Å; A184-L258 WeakPolarHBondContact O-CA 3.31Å; A184-L258 WeakPolarHBondContact O-CB 3.31Å; F186-L258 HydrophobicContact CB-CD1 3.64Å; F186-L258 HydrophobicContact CG-CD1 4.35Å; L199-L258 HydrophobicContact CD1-CD1 4.44Å; F252-L258 HydrophobicContact CE1-CD1 3.95Å; L253-L258 HydrophobicContact CD2-CB 3.49Å; L253-L258 VanDerWaalsContact CD2-CB 3.49Å; L253-L258 HydrophobicContact CD2-CD1 4.44Å; L253-L258 PolarHBondContact O-N 2.63Å; H256-L258 VanDerWaalsContact C-N 3.29Å; H256-L258 HydrophobicContact CB-CD1 3.74Å; H256-L258 HydrophobicContact CB-CG 3.87Å; H256-L258 PolarHBondContact O-N 3.5Å
259S97.5Very high95.4Very high70 Ų7043.7 Ų43.749%0.4924%0.235SC..SBendtrans-107.8-27.1-18059.60000114.4A184A184-S259 PolarHBondContact O-N 3.4Å; A184-S259 PolarHBondContact O-OG 2.88Å
260L98.4Very high95.1Very high20 Ų2047.1 Ų47.111%0.10526%0.256CS..EExtended strand (participates in β ladder)trans-155.6147-170.4-176.863.2000111.6I185 F186 I262 K275 I277I185-L260 WeakPolarHBondContact CA-O 3.44Å; I185-L260 HydrophobicContact CD1-CD2 4.29Å; I185-L260 HydrophobicContact CG1-CB 4.23Å; I185-L260 HydrophobicContact CG2-CB 4.12Å; I185-L260 HydrophobicContact CG2-CD2 4.23Å; I185-L260 HydrophobicContact CG2-CG 4.24Å; F186-L260 PolarHBondContact N-O 3.46Å; L260-I262 HydrophobicContact CD2-CD1 4.03Å; L260-I262 HydrophobicContact CD2-CG1 3.97Å; L260-I262 HydrophobicContact CG-CG1 4.12Å; L260-K275 VanDerWaalsContact CD1-C 3.5Å; L260-K275 WeakPolarHBondContact CD1-O 3.37Å; L260-I277 HydrophobicContact CD1-CD1 4.24Å; L260-I277 HydrophobicContact CD1-CG1 4.09Å; L260-I277 HydrophobicContact CD2-CD1 3.85Å
261I98.7Very high94.9Very high0 Ų044 Ų440%024%0.242CC..EExtended strand (participates in β ladder)trans-107.7133.9165.7-63.8164.4000108.8F186 I192 I249 F252 L253 R263 K275 L276 I277F186-I261 HydrophobicContact CD1-CG1 4.48Å; F186-I261 CarbonylContact O-C 3.58Å; F186-I261 VanDerWaalsContact O-CA 3.3Å; F186-I261 WeakPolarHBondContact O-CA 3.16Å; I192-I261 HydrophobicContact CD1-CD1 4.35Å; I192-I261 HydrophobicContact CG2-CD1 3.52Å; I192-I261 HydrophobicContact CG2-CG1 4.46Å; I249-I261 HydrophobicContact CG2-CD1 4.17Å; F252-I261 HydrophobicContact CD1-CD1 4.01Å; F252-I261 HydrophobicContact CE1-CD1 4.49Å; L253-I261 HydrophobicContact CD2-CD1 4.38Å; L253-I261 HydrophobicContact CD2-CG1 3.89Å; L253-I261 HydrophobicContact CG-CD1 4.4Å; L253-I261 HydrophobicContact CG-CG1 4.4Å; I261-R263 HydrophobicContact CG2-CB 4.46Å; I261-K275 PolarHBondContact N-O 3.37Å; I261-L276 HydrophobicContact CB-CB 4.38Å; I261-L276 HydrophobicContact CB-CD1 4.22Å; I261-L276 HydrophobicContact CB-CG 4.22Å; I261-L276 HydrophobicContact CG2-CD1 3.94Å; I261-L276 HydrophobicContact CG2-CG 4.16Å; I261-L276 CarbonylContact O-C 3.52Å; I261-L276 VanDerWaalsContact O-CA 3.3Å; I261-L276 WeakPolarHBondContact O-CA 3.46Å; I261-I277 PolarHBondContact O-N 3.18Å
262I98.6Very high94.5Very high0 Ų043.5 Ų43.50%024%0.242CC..EExtended strand (participates in β ladder)trans-120.3121.5169.2-55.5-178.7000108I76 L105 I185 F186 C187 V188 L260 I277 V279 V294 V296I76-I262 HydrophobicContact CD1-CB 4.37Å; I76-I262 HydrophobicContact CD1-CD1 3.44Å; I76-I262 VanDerWaalsContact CD1-CD1 3.44Å; I76-I262 HydrophobicContact CD1-CG1 4.48Å; I76-I262 HydrophobicContact CD1-CG2 4.08Å; I76-I262 HydrophobicContact CG2-CG2 4.17Å; L105-I262 HydrophobicContact CD1-CG2 4.19Å; I185-I262 HydrophobicContact CG2-CB 4.47Å; I185-I262 HydrophobicContact CG2-CD1 3.67Å; I185-I262 HydrophobicContact CG2-CG1 3.67Å; F186-I262 PolarHBondContact O-N 2.72Å; C187-I262 VanDerWaalsContact CA-O 3.26Å; C187-I262 WeakPolarHBondContact CA-O 3.3Å; V188-I262 PolarHBondContact N-O 3.03Å; V188-I262 VanDerWaalsContact N-O 3.16Å; L260-I262 HydrophobicContact CD2-CD1 4.03Å; L260-I262 HydrophobicContact CD2-CG1 3.97Å; L260-I262 HydrophobicContact CG-CG1 4.12Å; I262-I277 CarbonylContact C-O 3.55Å; I262-I277 WeakPolarHBondContact CA-O 3.41Å; I262-I277 HydrophobicContact CG1-CB 4.3Å; I262-I277 HydrophobicContact CG1-CD1 4.46Å; I262-V279 HydrophobicContact CG2-CG1 4.13Å; I262-V294 HydrophobicContact CD1-CG1 4.18Å; I262-V296 HydrophobicContact CD1-CG2 4.31Å
263R98.6Very high94.2Very high0 Ų045.6 Ų45.60%027%0.266CS..EExtended strand (participates in β ladder)trans-133172.8-176.668.881.756.915114.7113V188 H189 G190 A223 D224 I261 H265 E266 L276 I277 T278 V279V188-R263 HydrophobicContact CG1-CB 4.01Å; V188-R263 WeakPolarHBondContact O-CA 3.4Å; H189-R263 PolarHBondContact O-NE 2.87Å; G190-R263 VanDerWaalsContact C-NH2 3.33Å; G190-R263 WeakPolarHBondContact O-CB 3.31Å; G190-R263 PolarHBondContact O-NE 2.85Å; G190-R263 PolarHBondContact O-NH2 2.8Å; A223-R263 PolarHBondContact O-NH2 2.97Å; D224-R263 IonicContact OD1-CZ 3.18Å; D224-R263 IonicContact OD1-NH1 3.13Å; D224-R263 PolarHBondContact OD1-NH1 2.84Å; D224-R263 IonicContact OD1-NH2 3.93Å; D224-R263 PolarHBondContact OD1-NH2 3.36Å; I261-R263 HydrophobicContact CG2-CB 4.46Å; R263-H265 PolarHBondContact NH2-CD2 2.81Å; R263-E266 IonicContact NH1-OE1 2.62Å; R263-L276 HydrophobicContact CG-CD1 4.2Å; R263-L276 HydrophobicContact CG-CD2 3.99Å; R263-L276 HydrophobicContact CG-CG 4.21Å; R263-I277 PolarHBondContact N-O 2.96Å; R263-T278 WeakPolarHBondContact CD-OG1 3.45Å; R263-T278 CarbonylContact O-C 3.57Å; R263-T278 VanDerWaalsContact O-CA 3.3Å; R263-T278 WeakPolarHBondContact O-CA 3.44Å; R263-V279 WeakPolarHBondContact O-CG1 3.48Å; R263-V279 PolarHBondContact O-N 3.16Å
264A97.7Very high94Very high0 Ų047.3 Ų47.30%029%0.285CS..  trans-121.9-130.1-178.500000111.9D79 L105 H189 E266 T278 V279D79-A264 WeakPolarHBondContact OD1-CB 3Å; L105-A264 HydrophobicContact CB-CB 3.76Å; L105-A264 HydrophobicContact CD1-CB 3.97Å; L105-A264 HydrophobicContact CG-CB 4.49Å; H189-A264 CarbonylContact O-C 3.49Å; H189-A264 PolarHBondContact O-N 3.17Å; A264-E266 PolarHBondContact O-N 2.86Å; A264-T278 WeakPolarHBondContact O-CG2 3.42Å; A264-V279 VanDerWaalsContact CA-O 3.27Å; A264-V279 WeakPolarHBondContact CA-O 3.12Å; A264-V279 WeakPolarHBondContact CB-O 3.29Å
265H93.1Very high93.9Very high14 Ų1442.8 Ų42.87%0.06527%0.266CS..SBendtrans69.1-35.5168-166.346.1000116.9D79 N139 H189 W222 D224 R238 R263D79-H265 PolarHBondContact OD1-N 3.34Å; D79-H265 WeakPolarHBondContact OD2-CA 3.25Å; N139-H265 PolarHBondContact ND2-CE1 3.43Å; N139-H265 PolarHBondContact OD1-CE1 2.94Å; N139-H265 PolarHBondContact OD1-ND1 3.14Å; N139-H265 VanDerWaalsContact OD1-ND1 3.11Å; H189-H265 AromaticContact NE2-CG 3.98Å; H189-H265 AromaticContact NE2-ND1 3.63Å; W222-H265 AromaticContact CE3-CE1 3.96Å; W222-H265 AromaticContact CE3-NE2 3.93Å; D224-H265 IonicContact OD1-CD2 2.89Å; D224-H265 PolarHBondContact OD1-CD2 3.47Å; D224-H265 IonicContact OD1-NE2 3.91Å; D224-H265 IonicContact OD2-CD2 3.47Å; R238-H265 PolarHBondContact NE-NE2 2.91Å; R263-H265 PolarHBondContact NH2-CD2 2.81Å
266E83.5Confident93.9Very high53 Ų5338 Ų3825%0.24824%0.24CC..SBendtrans-157.2118174.346.3172.1-162.400114.7D224 R238 R263 A264 T278D224-E266 VanDerWaalsContact CB-OE1 3.29Å; D224-E266 WeakPolarHBondContact CB-OE1 3.41Å; D224-E266 VanDerWaalsContact OD1-CD 3.29Å; R238-E266 IonicContact CZ-OE2 3.99Å; R238-E266 IonicContact NH2-OE2 3.47Å; R238-E266 PolarHBondContact NH2-OE2 3.09Å; R263-E266 IonicContact NH1-OE1 2.62Å; A264-E266 PolarHBondContact O-N 2.86Å; E266-T278 WeakPolarHBondContact O-CG2 3.46Å
267G79.6Confident93.9Very high30 Ų3037 Ų3731%0.30924%0.236SC..  trans81.7177.7166.600000115.4T278 F280G267-T278 WeakPolarHBondContact O-CG2 3.36Å; G267-F280 WeakPolarHBondContact O-CB 3.34Å; G267-F280 PolarHBondContact O-N 3.46Å
268F85.2Confident93.8Very high26 Ų2632 Ų3211%0.11420%0.201CC..SBendtrans-136.794.5178.6-177.1-86.5000108.4T278 V279 A290 F304 K306F268-T278 WeakPolarHBondContact CA-O 3.33Å; F268-V279 HydrophobicContact CD2-CB 4.49Å; F268-V279 HydrophobicContact CD2-CG2 4.15Å; F268-V279 HydrophobicContact CE2-CG2 4.01Å; F268-A290 HydrophobicContact CB-CB 3.92Å; F268-A290 WeakPolarHBondContact CB-O 3.35Å; F268-A290 HydrophobicContact CD1-CB 4.3Å; F268-A290 HydrophobicContact CG-CB 4.46Å; F268-F304 HydrophobicContact CE1-CB 4.48Å; F268-F304 AromaticContact CE1-CD1 3.98Å; F268-F304 HydrophobicContact CE1-CD1 3.98Å; F268-F304 HydrophobicContact CE2-CD1 4.25Å; F268-F304 HydrophobicContact CZ-CB 4.05Å; F268-F304 AromaticContact CZ-CD1 3.49Å; F268-F304 HydrophobicContact CZ-CD1 3.49Å; F268-F304 VanDerWaalsContact CZ-CD1 3.49Å; F268-F304 HydrophobicContact CZ-CE1 4.36Å; F268-F304 HydrophobicContact CZ-CG 4.18Å; F268-K306 HydrophobicContact CE1-CD 4.41Å; F268-K306 HydrophobicContact CE1-CG 3.85Å; F268-K306 HydrophobicContact CZ-CG 4.31Å
269E89.9Confident93.7Very high106 Ų10631.1 Ų31.150%0.49520%0.196SC..EExtended strand (participates in β ladder)trans-157.2163.5-17167.4-174.9150.600113.2T278E269-T278 PolarHBondContact N-O 2.77Å; E269-T278 PolarHBondContact O-N 3.33Å
270V92.7Very high93.5Very high75 Ų7528 Ų2846%0.45517%0.174SC..EExtended strand (participates in β ladder)trans-99.8118166.4-179.80000106.2I277 F304V270-I277 HydrophobicContact CG2-CG1 4.38Å; V270-F304 HydrophobicContact CG2-CE2 4.35Å; V270-F304 HydrophobicContact CG2-CZ 3.77Å
271F92.6Very high93.3Very high12 Ų1227 Ų275%0.05317%0.169CC..PPolyproline II helixtrans-63.9150.6179.4-164-102.5000110.3P225 T227 E246 I249 G273 G274 L276P225-F271 HydrophobicContact CB-CD2 3.75Å; P225-F271 HydrophobicContact CB-CE1 4.47Å; P225-F271 HydrophobicContact CB-CE2 3.59Å; P225-F271 HydrophobicContact CB-CG 4.28Å; P225-F271 HydrophobicContact CB-CZ 3.97Å; P225-F271 HydrophobicContact CG-CD2 4.07Å; P225-F271 HydrophobicContact CG-CE2 4.19Å; T227-F271 HydrophobicContact CG2-CE1 4.43Å; T227-F271 HydrophobicContact CG2-CE2 3.98Å; T227-F271 HydrophobicContact CG2-CZ 3.64Å; E246-F271 HydrophobicContact CB-CE1 4.32Å; I249-F271 HydrophobicContact CD1-CD1 3.59Å; I249-F271 HydrophobicContact CD1-CE1 3.84Å; I249-F271 HydrophobicContact CD1-CG 4.39Å; F271-G273 PolarHBondContact O-N 3Å; F271-G274 PolarHBondContact O-N 3.05Å; F271-L276 HydrophobicContact CB-CB 3.95Å; F271-L276 HydrophobicContact CB-CD2 3.78Å; F271-L276 HydrophobicContact CB-CG 4.47Å; F271-L276 HydrophobicContact CG-CD2 4.4Å; F271-L276 PolarHBondContact N-O 2.77Å
272P90.7Very high92.9Very high67 Ų6727.5 Ų27.544%0.43517%0.172SC..THydrogen-bonded Turntrans-46137.2173-31.437.9000112.6T227 G274T227-P272 HydrophobicContact CG2-CG 3.99Å; P272-G274 VanDerWaalsContact C-N 3.35Å
273G91.2Very high92.2Very high50 Ų5027.9 Ų27.952%0.51517%0.174SC..THydrogen-bonded Turntrans89.8-13.3-173.300000115.3E246 F271 K275E246-G273 WeakPolarHBondContact OE1-CA 3.45Å; E246-G273 PolarHBondContact OE1-N 3.08Å; F271-G273 PolarHBondContact O-N 3Å; G273-K275 PolarHBondContact O-N 2.96Å
274G94.4Very high91.2Very high44 Ų4430.8 Ų30.845%0.45419%0.19SC..SBendtrans72.310.117300000115.2F271 P272F271-G274 PolarHBondContact O-N 3.05Å; P272-G274 VanDerWaalsContact C-N 3.35Å
275K97Very high90.1Very high77 Ų7734.5 Ų34.534%0.33520%0.204SC..SBendtrans-101.6-2.9-175.5-76.1177.5-178172.50114.3I249 E250 L253 L260 I261 G273I249-K275 HydrophobicContact CG2-CB 3.79Å; E250-K275 HydrophobicContact CG-CD 3.88Å; E250-K275 IonicContact OE1-NZ 3.3Å; E250-K275 PolarHBondContact OE1-NZ 2.91Å; L253-K275 HydrophobicContact CD1-CB 3.67Å; L253-K275 HydrophobicContact CD1-CD 4Å; L253-K275 HydrophobicContact CD1-CG 4.03Å; L260-K275 VanDerWaalsContact CD1-C 3.5Å; L260-K275 WeakPolarHBondContact CD1-O 3.37Å; I261-K275 PolarHBondContact N-O 3.37Å; G273-K275 PolarHBondContact O-N 2.96Å
276L98Very high89.1Confident0 Ų037.7 Ų37.70%023%0.229CC..EExtended strand (participates in β ladder)trans-136135171.8-178.2151.1000109.7P225 F244 I249 I261 R263 F271P225-L276 HydrophobicContact CB-CD1 4.31Å; P225-L276 HydrophobicContact CB-CD2 4.47Å; P225-L276 HydrophobicContact CG-CD2 4.15Å; F244-L276 HydrophobicContact CE2-CD1 3.69Å; F244-L276 HydrophobicContact CZ-CD1 4.02Å; I249-L276 HydrophobicContact CD1-CB 3.89Å; I249-L276 HydrophobicContact CD1-CD1 3.82Å; I249-L276 HydrophobicContact CD1-CG 4.47Å; I249-L276 HydrophobicContact CG1-CD1 4.22Å; I249-L276 HydrophobicContact CG2-CB 4.37Å; I261-L276 HydrophobicContact CB-CB 4.38Å; I261-L276 HydrophobicContact CB-CD1 4.22Å; I261-L276 HydrophobicContact CB-CG 4.22Å; I261-L276 HydrophobicContact CG2-CD1 3.94Å; I261-L276 HydrophobicContact CG2-CG 4.16Å; I261-L276 CarbonylContact O-C 3.52Å; I261-L276 VanDerWaalsContact O-CA 3.3Å; I261-L276 WeakPolarHBondContact O-CA 3.46Å; R263-L276 HydrophobicContact CG-CD1 4.2Å; R263-L276 HydrophobicContact CG-CD2 3.99Å; R263-L276 HydrophobicContact CG-CG 4.21Å; F271-L276 HydrophobicContact CB-CB 3.95Å; F271-L276 HydrophobicContact CB-CD2 3.78Å; F271-L276 HydrophobicContact CB-CG 4.47Å; F271-L276 HydrophobicContact CG-CD2 4.4Å; F271-L276 PolarHBondContact N-O 2.77Å
277I97.4Very high88.2Confident8 Ų842.3 Ų42.34%0.04125%0.245CC..EExtended strand (participates in β ladder)trans-117.1129.3173.2-60.1174.8000107.8L260 I261 I262 R263 V270 V294 C302 F304L260-I277 HydrophobicContact CD1-CD1 4.24Å; L260-I277 HydrophobicContact CD1-CG1 4.09Å; L260-I277 HydrophobicContact CD2-CD1 3.85Å; I261-I277 PolarHBondContact O-N 3.18Å; I262-I277 CarbonylContact C-O 3.55Å; I262-I277 WeakPolarHBondContact CA-O 3.41Å; I262-I277 HydrophobicContact CG1-CB 4.3Å; I262-I277 HydrophobicContact CG1-CD1 4.46Å; R263-I277 PolarHBondContact N-O 2.96Å; V270-I277 HydrophobicContact CG2-CG1 4.38Å; I277-V294 HydrophobicContact CG2-CG2 3.96Å; I277-C302 HydrophobicContact CD1-CB 4.2Å; I277-F304 HydrophobicContact CD1-CE1 4.37Å; I277-F304 HydrophobicContact CD1-CZ 3.84Å; I277-F304 HydrophobicContact CG1-CZ 4.33Å; I277-F304 HydrophobicContact CG2-CE1 3.59Å; I277-F304 HydrophobicContact CG2-CZ 3.98Å
278T96.4Very high87.7Confident1 Ų143.5 Ų43.51%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-99.9129166.6-49.10000110R263 A264 E266 G267 F268 E269R263-T278 WeakPolarHBondContact CD-OG1 3.45Å; R263-T278 CarbonylContact O-C 3.57Å; R263-T278 VanDerWaalsContact O-CA 3.3Å; R263-T278 WeakPolarHBondContact O-CA 3.44Å; A264-T278 WeakPolarHBondContact O-CG2 3.42Å; E266-T278 WeakPolarHBondContact O-CG2 3.46Å; G267-T278 WeakPolarHBondContact O-CG2 3.36Å; F268-T278 WeakPolarHBondContact CA-O 3.33Å; E269-T278 PolarHBondContact N-O 2.77Å; E269-T278 PolarHBondContact O-N 3.33Å
279V96Very high87.3Confident0 Ų043.3 Ų43.30%026%0.257CS..  trans-117130.9176.759.30000110.3I76 G78 L105 I262 R263 A264 F268 V294I76-V279 HydrophobicContact CG2-CG1 4.24Å; G78-V279 WeakPolarHBondContact CA-O 3.48Å; L105-V279 HydrophobicContact CD1-CG1 3.52Å; I262-V279 HydrophobicContact CG2-CG1 4.13Å; R263-V279 WeakPolarHBondContact O-CG1 3.48Å; R263-V279 PolarHBondContact O-N 3.16Å; A264-V279 VanDerWaalsContact CA-O 3.27Å; A264-V279 WeakPolarHBondContact CA-O 3.12Å; A264-V279 WeakPolarHBondContact CB-O 3.29Å; F268-V279 HydrophobicContact CD2-CB 4.49Å; F268-V279 HydrophobicContact CD2-CG2 4.15Å; F268-V279 HydrophobicContact CE2-CG2 4.01Å; V279-V294 HydrophobicContact CB-CG2 4.03Å; V279-V294 HydrophobicContact CG2-CG2 4.18Å
280F94.6Very high86.8Confident5 Ų540.6 Ų40.62%0.02225%0.253CS..BIsolated β-bridgetrans-128.4130.1172.5-162.4-94.8000108.2D79 G267 C282 Y285 N289 A291 G292D79-F280 HydrophobicContact CB-CD2 3.67Å; D79-F280 HydrophobicContact CB-CE2 3.44Å; D79-F280 VanDerWaalsContact CB-CE2 3.44Å; D79-F280 HydrophobicContact CB-CG 4.39Å; D79-F280 HydrophobicContact CB-CZ 3.97Å; D79-F280 WeakPolarHBondContact OD2-CE2 3.44Å; G267-F280 WeakPolarHBondContact O-CB 3.34Å; G267-F280 PolarHBondContact O-N 3.46Å; F280-C282 HydrophobicContact CD1-CB 4.16Å; F280-C282 VanDerWaalsContact CD1-O 3.28Å; F280-C282 WeakPolarHBondContact CD1-O 3.31Å; F280-C282 HydrophobicContact CE1-CB 3.6Å; F280-C282 WeakPolarHBondContact CE1-O 3.29Å; F280-C282 HydrophobicContact CZ-CB 4.26Å; F280-Y285 HydrophobicContact CE1-CD1 4.1Å; F280-Y285 AromaticContact CE1-CG 3.84Å; F280-Y285 HydrophobicContact CE1-CG 3.84Å; F280-Y285 HydrophobicContact CE2-CD1 4.46Å; F280-Y285 AromaticContact CZ-CD1 3.53Å; F280-Y285 HydrophobicContact CZ-CD1 3.53Å; F280-Y285 HydrophobicContact CZ-CD2 4.16Å; F280-Y285 HydrophobicContact CZ-CE1 4.08Å; F280-Y285 AromaticContact CZ-CG 3.58Å; F280-Y285 HydrophobicContact CZ-CG 3.58Å; F280-N289 VanDerWaalsContact CD1-ND2 3.29Å; F280-N289 WeakPolarHBondContact CD1-ND2 3.2Å; F280-A291 CarbonylContact O-C 3.58Å; F280-A291 WeakPolarHBondContact O-CA 3.36Å; F280-A291 WeakPolarHBondContact O-CB 3.32Å; F280-G292 PolarHBondContact O-N 3.1Å
281S94.3Very high86.7Confident0 Ų037.1 Ų37.10%023%0.231CC..  trans-109.82.5-171.2-660000113.5G78 D79 T86 P283 G292G78-S281 PolarHBondContact N-OG 3.15Å; D79-S281 CarbonylContact O-C 3.52Å; D79-S281 VanDerWaalsContact O-C 3.26Å; D79-S281 WeakPolarHBondContact O-CA 3.37Å; D79-S281 WeakPolarHBondContact O-CB 3.44Å; D79-S281 PolarHBondContact O-N 3.3Å; D79-S281 VanDerWaalsContact O-N 3.1Å; T86-S281 WeakPolarHBondContact CG2-O 3.46Å; S281-P283 WeakPolarHBondContact O-CD 3.36Å; S281-G292 PolarHBondContact OG-O 3.41Å
282C90.4Very high86.7Confident10 Ų1036.5 Ų36.57%0.06823%0.229CC..  trans-102.199.7175.5-178.80000111.4D79 F280 N289D79-C282 PolarHBondContact O-N 3.47Å; F280-C282 HydrophobicContact CD1-CB 4.16Å; F280-C282 VanDerWaalsContact CD1-O 3.28Å; F280-C282 WeakPolarHBondContact CD1-O 3.31Å; F280-C282 HydrophobicContact CE1-CB 3.6Å; F280-C282 WeakPolarHBondContact CE1-O 3.29Å; F280-C282 HydrophobicContact CZ-CB 4.26Å; C282-N289 PolarHBondContact O-ND2 3.15Å
283P82.9Confident87Confident7 Ų733.3 Ų33.35%0.04521%0.208CC..THydrogen-bonded Turntrans-65.9150.8175.627.9-34.3000111.3T86 S281 Y285 A291T86-P283 HydrophobicContact CG2-CG 4.27Å; T86-P283 WeakPolarHBondContact OG1-CD 3.24Å; T86-P283 WeakPolarHBondContact OG1-CG 3.06Å; S281-P283 WeakPolarHBondContact O-CD 3.36Å; P283-Y285 PolarHBondContact O-N 2.79Å; P283-A291 HydrophobicContact CB-CB 3.89Å
284N78.6Confident87.2Confident61 Ų6131 Ų3133%0.32618%0.184SC..THydrogen-bonded Turntrans63.315.5175.7-155.646.9000116.7S286 Y287 G288 N289 P309N284-S286 VanDerWaalsContact C-N 3.31Å; N284-S286 PolarHBondContact O-N 3.24Å; N284-Y287 PolarHBondContact O-N 2.84Å; N284-Y287 WeakPolarHBondContact OD1-CA 3.35Å; N284-G288 PolarHBondContact OD1-N 3.29Å; N284-G288 VanDerWaalsContact OD1-N 3.14Å; N284-N289 VanDerWaalsContact C-OD1 3.27Å; N284-N289 VanDerWaalsContact CA-OD1 3.24Å; N284-N289 WeakPolarHBondContact CA-OD1 3.24Å; N284-N289 PolarHBondContact N-OD1 2.96Å; N284-P309 HydrophobicContact CB-CB 4.16Å; N284-P309 HydrophobicContact CB-CG 4.42Å
285Y74.6Confident87.4Confident78 Ų7831.8 Ų31.831%0.30618%0.175SC..THydrogen-bonded Turntrans-56.7-40.4175.2-177.2-106.3000113.4H81 R111 F280 P283 N289H81-Y285 HydrophobicContact CB-CE2 4.3Å; H81-Y285 AromaticContact CD2-CE2 3.53Å; H81-Y285 AromaticContact CD2-CZ 3.83Å; R111-Y285 HydrophobicContact CB-CE2 3.76Å; R111-Y285 HydrophobicContact CG-CE2 3.78Å; R111-Y285 WeakPolarHBondContact CG-OH 3.47Å; R111-Y285 VanDerWaalsContact CZ-OH 3.22Å; R111-Y285 PolarHBondContact NE-OH 2.99Å; R111-Y285 PolarHBondContact NH1-OH 3.06Å; F280-Y285 HydrophobicContact CE1-CD1 4.1Å; F280-Y285 AromaticContact CE1-CG 3.84Å; F280-Y285 HydrophobicContact CE1-CG 3.84Å; F280-Y285 HydrophobicContact CE2-CD1 4.46Å; F280-Y285 AromaticContact CZ-CD1 3.53Å; F280-Y285 HydrophobicContact CZ-CD1 3.53Å; F280-Y285 HydrophobicContact CZ-CD2 4.16Å; F280-Y285 HydrophobicContact CZ-CE1 4.08Å; F280-Y285 AromaticContact CZ-CG 3.58Å; F280-Y285 HydrophobicContact CZ-CG 3.58Å; P283-Y285 PolarHBondContact O-N 2.79Å; Y285-N289 PolarHBondContact N-OD1 3.43Å
286S72Confident87.5Confident82 Ų8228.3 Ų28.357%0.57316%0.16SC*.THydrogen-bonded Turntrans-119.833.2178.470.40000113N284 N289N284-S286 VanDerWaalsContact C-N 3.31Å; N284-S286 PolarHBondContact O-N 3.24Å; S286-N289 PolarHBondContact N-OD1 3.04Å
287Y64.5Low87.5Confident150 Ų15030.9 Ų30.959%0.58817%0.174SC*.SBendtrans57.492.3-170.5-77.6-95.3000113.1N284N284-Y287 PolarHBondContact O-N 2.84Å; N284-Y287 WeakPolarHBondContact OD1-CA 3.35Å
288G67.9Low87.5Confident54 Ų5436.1 Ų36.156%0.55720%0.198SC*.SBendtrans82.916.5174.100000116.2N284N284-G288 PolarHBondContact OD1-N 3.29Å; N284-G288 VanDerWaalsContact OD1-N 3.14Å
289N78Confident87.5Confident23 Ų2342.2 Ų42.212%0.12323%0.226CC..  trans-58.8144.1169.565.7-66.4000110.7F280 C282 N284 Y285 S286F280-N289 VanDerWaalsContact CD1-ND2 3.29Å; F280-N289 WeakPolarHBondContact CD1-ND2 3.2Å; C282-N289 PolarHBondContact O-ND2 3.15Å; N284-N289 VanDerWaalsContact C-OD1 3.27Å; N284-N289 VanDerWaalsContact CA-OD1 3.24Å; N284-N289 WeakPolarHBondContact CA-OD1 3.24Å; N284-N289 PolarHBondContact N-OD1 2.96Å; Y285-N289 PolarHBondContact N-OD1 3.43Å; S286-N289 PolarHBondContact N-OD1 3.04Å
290A79.3Confident87.5Confident49 Ų4944.3 Ų44.341%0.40524%0.238SC..  trans-64137.7165.400000108.9F268F268-A290 HydrophobicContact CB-CB 3.92Å; F268-A290 WeakPolarHBondContact CB-O 3.35Å; F268-A290 HydrophobicContact CD1-CB 4.3Å; F268-A290 HydrophobicContact CG-CB 4.46Å
291A89Confident87.6Confident1 Ų150.5 Ų50.51%0.00826%0.264CS..EExtended strand (participates in β ladder)trans-135.4159.5171.300000109.4F280 P283 K306 F307F280-A291 CarbonylContact O-C 3.58Å; F280-A291 WeakPolarHBondContact O-CA 3.36Å; F280-A291 WeakPolarHBondContact O-CB 3.32Å; P283-A291 HydrophobicContact CB-CB 3.89Å; A291-K306 CarbonylContact O-C 3.56Å; A291-K306 WeakPolarHBondContact O-CA 3.26Å; A291-F307 PolarHBondContact O-N 2.91Å
292G93Very high87.7Confident0 Ų052.4 Ų52.40%028%0.277CS..EExtended strand (participates in β ladder)trans174.3-163-179.500000112.7F280 S281 T305F280-G292 PolarHBondContact O-N 3.1Å; S281-G292 PolarHBondContact OG-O 3.41Å; G292-T305 CarbonylContact C-O 3.43Å; G292-T305 WeakPolarHBondContact CA-O 3.41Å
293I96.6Very high88Confident0 Ų054.8 Ų54.80%029%0.294CS..EExtended strand (participates in β ladder)trans-134.7158.6175.154172.8000109.5I75 I76 I90 Q94 F304 T305 F307I75-I293 HydrophobicContact CG2-CB 4.05Å; I75-I293 HydrophobicContact CG2-CD1 3.67Å; I75-I293 HydrophobicContact CG2-CG1 4.36Å; I75-I293 HydrophobicContact CG2-CG2 4.36Å; I76-I293 WeakPolarHBondContact O-CA 3.46Å; I76-I293 WeakPolarHBondContact O-CB 3.32Å; I90-I293 HydrophobicContact CD1-CG2 4.36Å; I90-I293 HydrophobicContact CG1-CG2 4.42Å; I90-I293 HydrophobicContact CG2-CG2 4.36Å; Q94-I293 HydrophobicContact CG-CD1 3.41Å; Q94-I293 VanDerWaalsContact CG-CD1 3.41Å; I293-F304 WeakPolarHBondContact O-CA 3.43Å; I293-T305 PolarHBondContact N-O 3.09Å; I293-T305 PolarHBondContact O-N 3.4Å; I293-F307 HydrophobicContact CD1-CZ 4.18Å; I293-F307 HydrophobicContact CG1-CZ 4.02Å; I293-F307 HydrophobicContact CG2-CE2 3.85Å; I293-F307 HydrophobicContact CG2-CZ 3.99Å
294V97.3Very high88.5Confident0 Ų058.3 Ų58.30%031%0.309CS..EExtended strand (participates in β ladder)trans-107.8136.1170.1-177.10000108.6I75 I76 I262 I277 V279 V296 C302 S303 F304I75-V294 CarbonylContact C-O 3.59Å; I75-V294 WeakPolarHBondContact CA-O 3.32Å; I76-V294 HydrophobicContact CB-CB 4.28Å; I76-V294 PolarHBondContact N-O 3.37Å; I76-V294 PolarHBondContact O-N 3.28Å; I262-V294 HydrophobicContact CD1-CG1 4.18Å; I277-V294 HydrophobicContact CG2-CG2 3.96Å; V279-V294 HydrophobicContact CB-CG2 4.03Å; V279-V294 HydrophobicContact CG2-CG2 4.18Å; V294-V296 HydrophobicContact CG1-CG2 4.43Å; V294-C302 HydrophobicContact CG1-CB 4.12Å; V294-S303 CarbonylContact C-O 3.54Å; V294-S303 WeakPolarHBondContact CA-O 3.4Å; V294-F304 HydrophobicContact CG2-CD1 3.86Å; V294-F304 HydrophobicContact CG2-CE1 3.76Å
295K98.1Very high89.1Confident62 Ų6257.1 Ų57.127%0.2730%0.304SS..EExtended strand (participates in β ladder)trans-111.7127.7172.7-57.3174.5178.7172.10108.1I75 C302 S303 T305I75-K295 HydrophobicContact CG1-CG 4.3Å; K295-C302 CarbonylContact O-C 3.5Å; K295-C302 WeakPolarHBondContact O-CA 3.43Å; K295-S303 PolarHBondContact N-O 3.34Å; K295-S303 PolarHBondContact O-N 3.14Å; K295-T305 WeakPolarHBondContact CE-OG1 3.3Å; K295-T305 PolarHBondContact NZ-OG1 2.62Å
296V98.3Very high89.8Confident3 Ų360.5 Ų60.52%0.01832%0.32CS..EExtended strand (participates in β ladder)trans-108.9120.9173.9-174.80000107.8P72 P73 V74 I76 I181 I185 I262 V294 L300 K301P72-V296 HydrophobicContact CB-CG1 4.5Å; P73-V296 VanDerWaalsContact CA-O 3.23Å; P73-V296 WeakPolarHBondContact CA-O 3.18Å; V74-V296 HydrophobicContact CG1-CB 4.05Å; V74-V296 HydrophobicContact CG1-CG2 4.49Å; V74-V296 PolarHBondContact N-O 3.33Å; V74-V296 PolarHBondContact O-N 3.43Å; I76-V296 HydrophobicContact CD1-CG2 3.81Å; I181-V296 HydrophobicContact CD1-CG2 4.12Å; I181-V296 HydrophobicContact CG2-CG1 4.22Å; I185-V296 HydrophobicContact CD1-CG1 3.84Å; I185-V296 HydrophobicContact CD1-CG2 4.28Å; I262-V296 HydrophobicContact CD1-CG2 4.31Å; V294-V296 HydrophobicContact CG1-CG2 4.43Å; V296-L300 HydrophobicContact CG1-CD2 3.93Å; V296-K301 WeakPolarHBondContact CA-O 3.36Å
297D97.8Very high90.4Very high54 Ų5457.1 Ų57.129%0.28930%0.295SS..  trans-86.5179.617669.515.1000112.7P72 E299 L300 K301P72-D297 WeakPolarHBondContact CB-O 3.28Å; D297-E299 PolarHBondContact O-N 3.33Å; D297-E299 PolarHBondContact OD1-N 3.27Å; D297-E299 VanDerWaalsContact OD1-N 3.16Å; D297-L300 PolarHBondContact O-N 3.36Å; D297-L300 PolarHBondContact OD1-N 2.92Å; D297-L300 VanDerWaalsContact OD1-N 3.09Å; D297-K301 PolarHBondContact N-O 3.01Å; D297-K301 VanDerWaalsContact N-O 3.15Å; D297-K301 WeakPolarHBondContact OD1-CB 3.34Å; D297-K301 PolarHBondContact OD1-N 3.18Å; D297-K301 WeakPolarHBondContact OD2-CB 3.26Å
298E97.3Very high90.9Very high118 Ų11855 Ų5555%0.55129%0.293SS*.THydrogen-bonded Turntrans-63.7-26.7-176.2-65.7177-176.300113K182 L300K182-E298 PolarHBondContact NZ-O 3.12Å; E298-L300 VanDerWaalsContact C-N 3.32Å
299E97Very high90.9Very high129 Ų12953.5 Ų53.560%0.60327%0.274SS*.THydrogen-bonded Turntrans-88.58.6173.4-60.980.4-168.900113.7D297 K301D297-E299 PolarHBondContact O-N 3.33Å; D297-E299 PolarHBondContact OD1-N 3.27Å; D297-E299 VanDerWaalsContact OD1-N 3.16Å; E299-K301 HydrophobicContact CB-CG 4.4Å; E299-K301 PolarHBondContact O-N 2.84Å
300L96.6Very high90.2Very high45 Ų4557.1 Ų57.124%0.23630%0.298CS..  trans6420.3-179.1-57.4174000114.9P72 I181 K182 A184 I185 V296 D297 E298P72-L300 HydrophobicContact CG-CD2 4.15Å; I181-L300 HydrophobicContact CG2-CD2 4.02Å; K182-L300 HydrophobicContact CB-CD1 4.44Å; K182-L300 HydrophobicContact CB-CD2 3.92Å; K182-L300 HydrophobicContact CD-CD1 4.32Å; K182-L300 HydrophobicContact CD-CD2 4.18Å; K182-L300 HydrophobicContact CD-CG 4.27Å; A184-L300 HydrophobicContact CB-CD1 3.62Å; I185-L300 HydrophobicContact CD1-CB 4.42Å; I185-L300 HydrophobicContact CD1-CD2 4.18Å; V296-L300 HydrophobicContact CG1-CD2 3.93Å; D297-L300 PolarHBondContact O-N 3.36Å; D297-L300 PolarHBondContact OD1-N 2.92Å; D297-L300 VanDerWaalsContact OD1-N 3.09Å; E298-L300 VanDerWaalsContact C-N 3.32Å
301K96.5Very high89Confident135 Ų13558.3 Ų58.359%0.58730%0.304SS*.  trans-76.6134.8172.2-57173.7-178.3163.90109.5V296 D297 E299V296-K301 WeakPolarHBondContact CA-O 3.36Å; D297-K301 PolarHBondContact N-O 3.01Å; D297-K301 VanDerWaalsContact N-O 3.15Å; D297-K301 WeakPolarHBondContact OD1-CB 3.34Å; D297-K301 PolarHBondContact OD1-N 3.18Å; D297-K301 WeakPolarHBondContact OD2-CB 3.26Å; E299-K301 HydrophobicContact CB-CG 4.4Å; E299-K301 PolarHBondContact O-N 2.84Å
302C96.6Very high87Confident40 Ų4061.4 Ų61.427%0.2733%0.326SS..EExtended strand (participates in β ladder)trans-95.5131.5177.8-65.40000110.4I277 V294 K295I277-C302 HydrophobicContact CD1-CB 4.2Å; V294-C302 HydrophobicContact CG1-CB 4.12Å; K295-C302 CarbonylContact O-C 3.5Å; K295-C302 WeakPolarHBondContact O-CA 3.43Å
303S95.5Very high84.7Confident60 Ų6068.9 Ų68.942%0.4236%0.358SS..EExtended strand (participates in β ladder)trans-129.9156.2168.363.90000110.6V294 K295V294-S303 CarbonylContact C-O 3.54Å; V294-S303 WeakPolarHBondContact CA-O 3.4Å; K295-S303 PolarHBondContact N-O 3.34Å; K295-S303 PolarHBondContact O-N 3.14Å
304F93.7Very high81.5Confident80 Ų8075.4 Ų75.435%0.35139%0.393SS..EExtended strand (participates in β ladder)trans-114.2143.1-173.1-60.3-90.4000110.6F268 V270 I277 I293 V294F268-F304 HydrophobicContact CE1-CB 4.48Å; F268-F304 AromaticContact CE1-CD1 3.98Å; F268-F304 HydrophobicContact CE1-CD1 3.98Å; F268-F304 HydrophobicContact CE2-CD1 4.25Å; F268-F304 HydrophobicContact CZ-CB 4.05Å; F268-F304 AromaticContact CZ-CD1 3.49Å; F268-F304 HydrophobicContact CZ-CD1 3.49Å; F268-F304 VanDerWaalsContact CZ-CD1 3.49Å; F268-F304 HydrophobicContact CZ-CE1 4.36Å; F268-F304 HydrophobicContact CZ-CG 4.18Å; V270-F304 HydrophobicContact CG2-CE2 4.35Å; V270-F304 HydrophobicContact CG2-CZ 3.77Å; I277-F304 HydrophobicContact CD1-CE1 4.37Å; I277-F304 HydrophobicContact CD1-CZ 3.84Å; I277-F304 HydrophobicContact CG1-CZ 4.33Å; I277-F304 HydrophobicContact CG2-CE1 3.59Å; I277-F304 HydrophobicContact CG2-CZ 3.98Å; I293-F304 WeakPolarHBondContact O-CA 3.43Å; V294-F304 HydrophobicContact CG2-CD1 3.86Å; V294-F304 HydrophobicContact CG2-CE1 3.76Å
305T92.3Very high78.4Confident36 Ų3682.8 Ų82.822%0.22143%0.433CS..EExtended strand (participates in β ladder)trans-121113.1163.2-59.60000107.9G292 I293 K295 F307G292-T305 CarbonylContact C-O 3.43Å; G292-T305 WeakPolarHBondContact CA-O 3.41Å; I293-T305 PolarHBondContact N-O 3.09Å; I293-T305 PolarHBondContact O-N 3.4Å; K295-T305 WeakPolarHBondContact CE-OG1 3.3Å; K295-T305 PolarHBondContact NZ-OG1 2.62Å; T305-F307 HydrophobicContact CG2-CE1 3.98Å
306K88.2Confident75.2Confident150 Ų15088.3 Ų88.365%0.65246%0.46SS*.EExtended strand (participates in β ladder)trans-84.7144179.5-65.7-174.8178.5-175.90110.7F268 A291F268-K306 HydrophobicContact CE1-CD 4.41Å; F268-K306 HydrophobicContact CE1-CG 3.85Å; F268-K306 HydrophobicContact CZ-CG 4.31Å; A291-K306 CarbonylContact O-C 3.56Å; A291-K306 WeakPolarHBondContact O-CA 3.26Å
307F84Confident72.1Confident10 Ų1094.6 Ų94.64%0.04450%0.5CS..EExtended strand (participates in β ladder)trans-109.5126.9171.6-54.3-45.9000109.6T86 I90 A291 I293 T305T86-F307 HydrophobicContact CG2-CD2 4.33Å; I90-F307 HydrophobicContact CD1-CE2 3.88Å; I90-F307 HydrophobicContact CD1-CZ 4.46Å; I90-F307 HydrophobicContact CG1-CD2 4.41Å; I90-F307 HydrophobicContact CG1-CE2 3.42Å; I90-F307 VanDerWaalsContact CG1-CE2 3.42Å; I90-F307 HydrophobicContact CG1-CZ 3.56Å; A291-F307 PolarHBondContact O-N 2.91Å; I293-F307 HydrophobicContact CD1-CZ 4.18Å; I293-F307 HydrophobicContact CG1-CZ 4.02Å; I293-F307 HydrophobicContact CG2-CE2 3.85Å; I293-F307 HydrophobicContact CG2-CZ 3.99Å; T305-F307 HydrophobicContact CG2-CE1 3.98Å
308L75.1Confident69.1Low106 Ų10696.9 Ų96.956%0.55552%0.52SS*.  trans-82.6144.7170.2-64.3175000110.1R89R89-L308 PolarHBondContact NH1-O 3.16Å; R89-L308 VanDerWaalsContact NH1-O 3.14Å
309P68.7Low66.1Low22 Ų2299.5 Ų99.514%0.14353%0.533CS..  trans-52.2145.5169.4-2634.6000111.7N284 S311 S312N284-P309 HydrophobicContact CB-CB 4.16Å; N284-P309 HydrophobicContact CB-CG 4.42Å; P309-S311 PolarHBondContact O-N 3.3Å; P309-S311 VanDerWaalsContact O-N 3.09Å; P309-S312 PolarHBondContact O-N 3.48Å; P309-S312 PolarHBondContact O-OG 2.88Å; P309-S312 VanDerWaalsContact O-OG 3.07Å
310P62.6Low63.1Low99 Ų9998.5 Ų98.564%0.64354%0.537SS*.G310 helixtrans-55.8-27.1176.7-2533.6000114.2S312P310-S312 VanDerWaalsContact C-N 3.28Å; P310-S312 PolarHBondContact O-N 3.14Å
311S54.8Low60Low75 Ų75105.3 Ų105.352%0.52457%0.565SS.*G310 helixtrans-75.8-3.2-178.749.20000115.2P309 F313P309-S311 PolarHBondContact O-N 3.3Å; P309-S311 VanDerWaalsContact O-N 3.09Å; S311-F313 PolarHBondContact O-N 2.98Å
312S47.3Very low57.2Low66 Ų66104.2 Ų104.246%0.46257%0.57SS.*G310 helixtrans-738.1171.964.40000113.7P309 P310P309-S312 PolarHBondContact O-N 3.48Å; P309-S312 PolarHBondContact O-OG 2.88Å; P309-S312 VanDerWaalsContact O-OG 3.07Å; P310-S312 VanDerWaalsContact C-N 3.28Å; P310-S312 PolarHBondContact O-N 3.14Å
313F43.6Very low53.9Low156 Ų156112.2 Ų112.268%0.68460%0.6SS**G310 helixtrans-117.8-12.6-175.2-80.9-79.1000116.8S311S311-F313 PolarHBondContact O-N 2.98Å
314N30.2Very low50.9Low138 Ų138118 Ų11874%0.73862%0.618SS**SBendtrans176.5143.9165.8-85.3-29.7000110.4
315D32Very low48.1Very low154 Ų154123.3 Ų123.382%0.82464%0.64SS**  trans84.6141.1159.5-52.9-34.6000121.8
316E30.4Very low45.5Very low179 Ų179125.9 Ų125.984%0.83665%0.65SS**  trans-53.3153.3-162-66.3-174.5156.300118S318E316-S318 PolarHBondContact O-N 2.88Å; E316-S318 VanDerWaalsContact O-N 3.12Å
317P34Very low42.7Very low134 Ų134126.4 Ų126.487%0.8765%0.654SS**  trans-69.7110.4179.228.9-32000111.1
318S35.6Very low40.3Very low102 Ų102128.8 Ų128.871%0.71367%0.671SS**  trans-78140.9166.850.30000111.3E316E316-S318 PolarHBondContact O-N 2.88Å; E316-S318 VanDerWaalsContact O-N 3.12Å
319E33Very low38.5Very low174 Ų174127.8 Ų127.881%0.81367%0.666SS**  trans-52.2149.3-173.6-74.1-176.9156.700115.1K321E319-K321 PolarHBondContact O-N 3.05Å; E319-K321 VanDerWaalsContact O-N 3.15Å
320P33.4Very low36.8Very low108 Ų108131.9 Ų131.970%0.70169%0.685SS**  trans-70.3111.8-171.628.4-33.6000111.8V322P320-V322 PolarHBondContact O-N 2.83Å
321K33.5Very low35.4Very low187 Ų187130.6 Ų130.681%0.81367%0.673SS**  trans-85.9105.4162.6-72.9-172.9-178.7176.70109.5E319E319-K321 PolarHBondContact O-N 3.05Å; E319-K321 VanDerWaalsContact O-N 3.15Å
322V35.8Very low34.3Very low113 Ų113134 Ų13469%0.68568%0.678SS**  trans8887.6159-165.90000116.8P320 K324P320-V322 PolarHBondContact O-N 2.83Å; V322-K324 VanDerWaalsContact C-N 3.34Å; V322-K324 HydrophobicContact CG1-CB 4.15Å; V322-K324 HydrophobicContact CG1-CD 4.35Å; V322-K324 HydrophobicContact CG1-CG 3.72Å; V322-K324 PolarHBondContact O-N 2.77Å; V322-K324 VanDerWaalsContact O-N 3.15Å
323K28.3Very low33.3Very low207 Ų207139.6 Ų139.690%0.970%0.697SS**  trans-66.991.9142-75.2-178.4177.51780108.5
324K32.9Very low32.5Very low183 Ų183141.3 Ų141.380%0.79670%0.7SS**  trans-86.3100.7150.1-91.3-178.8-179.2-179.70105.5V322 E326V322-K324 VanDerWaalsContact C-N 3.34Å; V322-K324 HydrophobicContact CG1-CB 4.15Å; V322-K324 HydrophobicContact CG1-CD 4.35Å; V322-K324 HydrophobicContact CG1-CG 3.72Å; V322-K324 PolarHBondContact O-N 2.77Å; V322-K324 VanDerWaalsContact O-N 3.15Å; K324-E326 PolarHBondContact O-N 3.07Å; K324-E326 VanDerWaalsContact O-N 3.1Å
325K33.5Very low32.2Very low191 Ų191140 Ų14083%0.8370%0.699SS**  trans-46.8121160.3-85.9-177.7169.8-175.70106.3Q327K325-Q327 VanDerWaalsContact C-N 3.28Å; K325-Q327 PolarHBondContact O-N 2.81Å
326E39Very low32.2Very low89 Ų89145.8 Ų145.842%0.41672%0.717SS.*  trans-58.3102.1163.4-71.1-175.4160.400105.6R111 R238 K324R111-E326 IonicContact CZ-OE1 3.16Å; R111-E326 IonicContact NH1-OE1 3.58Å; R111-E326 PolarHBondContact NH1-OE1 2.69Å; R111-E326 VanDerWaalsContact NH1-OE1 3.16Å; R111-E326 IonicContact NH2-OE1 3.98Å; R111-E326 PolarHBondContact NH2-OE1 3.23Å; R238-E326 IonicContact NH1-OE2 2.74Å; K324-E326 PolarHBondContact O-N 3.07Å; K324-E326 VanDerWaalsContact O-N 3.1Å
327Q30.1Very low32.3Very low161 Ų161144.2 Ų144.275%0.75271%0.711SS**  trans-73124160.4-82-175.5-400104.8K325 L329K325-Q327 VanDerWaalsContact C-N 3.28Å; K325-Q327 PolarHBondContact O-N 2.81Å; Q327-L329 PolarHBondContact O-N 3.12Å; Q327-L329 VanDerWaalsContact O-N 3.16Å
328P33.2Very low32.2Very low60 Ų60144.7 Ų144.739%0.3970%0.703SS.*  trans-59.4125.5175.1-6.715.9000108.6N239 I330N239-P328 HydrophobicContact CB-CB 3Å; N239-P328 HydrophobicContact CB-CG 3.84Å; P328-I330 VanDerWaalsContact C-N 3.32Å; P328-I330 PolarHBondContact O-N 3.31Å
329L37.2Very low32Very low86 Ų86147.1 Ų147.145%0.4570%0.703SS.*  trans-69.497.4171.9-106149.2000106.6Y149 Q327 L331Y149-L329 HydrophobicContact CE2-CD1 4.25Å; Q327-L329 PolarHBondContact O-N 3.12Å; Q327-L329 VanDerWaalsContact O-N 3.16Å; L329-L331 VanDerWaalsContact C-N 3.31Å; L329-L331 PolarHBondContact O-N 2.83Å
330I33Very low32Very low108 Ų108145.5 Ų145.555%0.55470%0.696SS**  trans-56.2104.3158.7-57.4169.8000104.8N239 P328 K332N239-I330 WeakPolarHBondContact ND2-CG1 3.44Å; P328-I330 VanDerWaalsContact C-N 3.32Å; P328-I330 PolarHBondContact O-N 3.31Å; I330-K332 HydrophobicContact CB-CG 4.42Å; I330-K332 HydrophobicContact CG2-CG 3.74Å; I330-K332 PolarHBondContact O-N 3.07Å
331L32.6Very low31.9Very low71 Ų71147.8 Ų147.837%0.37270%0.696SS.*  trans-61.880.1162.7-74.9168000106.2N213 L329 E333N213-L331 HydrophobicContact CB-CD1 4.22Å; L329-L331 VanDerWaalsContact C-N 3.31Å; L329-L331 PolarHBondContact O-N 2.83Å; L331-E333 PolarHBondContact O-N 3.39Å; L331-E333 VanDerWaalsContact O-N 3.14Å
332K31.6Very low31.8Very low147 Ų147145.2 Ų145.264%0.63969%0.688SS**  trans-61.5119.4171.3-78.5-171.7174.2-177.50106.5I330 Y334I330-K332 HydrophobicContact CB-CG 4.42Å; I330-K332 HydrophobicContact CG2-CG 3.74Å; I330-K332 PolarHBondContact O-N 3.07Å; K332-Y334 VanDerWaalsContact O-CD2 3.23Å; K332-Y334 WeakPolarHBondContact O-CD2 3.03Å; K332-Y334 PolarHBondContact O-N 3Å
333E26.5Very low31.5Very low183 Ų183147.5 Ų147.586%0.85569%0.688SS**  trans-42.6117.7170.1-62.8177.4152.800109.7L331L331-E333 PolarHBondContact O-N 3.39Å; L331-E333 VanDerWaalsContact O-N 3.14Å
334Y27.8Very low31.8Very low193 Ų193142.9 Ų142.976%0.75767%0.672SS**  trans-110.7125.5163.2-79-81.3000107.4K332 F336K332-Y334 VanDerWaalsContact O-CD2 3.23Å; K332-Y334 WeakPolarHBondContact O-CD2 3.03Å; K332-Y334 PolarHBondContact O-N 3Å; Y334-F336 PolarHBondContact O-N 3.4Å
335P23.3Very low31.7Very low109 Ų109139.6 Ų139.671%0.70866%0.661SS**  trans-80.8104.1174.831.6-27.9000108.3
336F32.5Very low31.5Very low277 Ų277134.9 Ų134.9100%1.21565%0.646SS**  trans-1520150.9-72-65.2000109.9Y334Y334-F336 PolarHBondContact O-N 3.4Å

Retrieved 336 of 336 residues in 363 ms (Link to these results)

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