A0A2K5VH24_MACFA Loading...

Cochlin

Plays a role in the control of cell shape and motility in the trabecular meshwork.

AlphaFold DB , UniProt , Accession A0A2K5VH24, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene n/a, Length 550 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
1M37Very low34.3Very low238 Ų238141.7 Ų141.7100%1.17282%0.823SS**  01330-74.5167.879.700107.8
2S34.5Very low34.1Very low125 Ų125135.9 Ų135.987%0.87482%0.817SS**  trans78.4102172.2-55.20000119.4
3A35.6Very low33.9Very low101 Ų101135.7 Ų135.784%0.83582%0.816SS**  trans-57.3173153.400000111.6
4A36.8Very low33.5Very low78 Ų78134 Ų13465%0.64581%0.812SS**  cis-169.4176.7900000107.1
5W27.6Very low33.2Very low253 Ų253136.1 Ų136.196%0.95882%0.815SS**  trans135.7109.5141.2-75.275.7000114.2
6I32.9Very low33.1Very low152 Ų152136.9 Ų136.978%0.77981%0.813SS**  trans-90.3175167.8-70.3168.5000107.1
7P47.1Very low32.9Very low113 Ų113139.1 Ų139.173%0.73482%0.819SS**  cis-130.4179.8-2.120.65.9000114
8A29.4Very low32.7Very low82 Ų82139.8 Ų139.868%0.67882%0.817SS**  136.1150.9103.700000106.7
9L30.9Very low32.7Very low149 Ų149138.9 Ų138.978%0.7882%0.816SS**  cis-163.7141.98.9-141.690.4000105.7L11L9-L11 HydrophobicContact CD2-CD1 4.06Å
10S33.8Very low32.5Very low113 Ų113135 Ų13579%0.7981%0.807SS**  trans-76.8135.316158.80000109.8
11L31.5Very low32.5Very low155 Ų155134.5 Ų134.581%0.81281%0.807SS**  trans-161.2128.3151.5-107.4150.6000109.5L9L9-L11 HydrophobicContact CD2-CD1 4.06Å
12G31.8Very low32.3Very low72 Ų72128.1 Ų128.174%0.74279%0.792SS**  trans-70156.4-175.100000113.3
13V32Very low32.2Very low133 Ų133125.4 Ų125.481%0.80678%0.784SS**  trans-122.7116161178.40000107.9L15V13-L15 PolarHBondContact O-N 3.35Å
14C28.3Very low32Very low112 Ų112125.8 Ų125.876%0.75778%0.78SS**  trans-57.7110.3168.9-158.30000108.8L16C14-L16 PolarHBondContact O-N 3.01Å; C14-L16 VanDerWaalsContact O-N 3.12Å
15L29.3Very low32.2Very low165 Ų165130.3 Ų130.386%0.86479%0.788SS**  trans-76.497.1167.3-112.992.5000107.9V13 L17V13-L15 PolarHBondContact O-N 3.35Å; L15-L17 PolarHBondContact O-N 3.48Å; L15-L17 VanDerWaalsContact O-N 3.15Å
16L30.9Very low33.1Very low150 Ų150121.3 Ų121.379%0.78577%0.774SS**  trans-58.1112.8164.5-78.5155.8000108.7C14 L18C14-L16 PolarHBondContact O-N 3.01Å; C14-L16 VanDerWaalsContact O-N 3.12Å; L16-L18 VanDerWaalsContact C-N 3.3Å; L16-L18 PolarHBondContact O-N 3.34Å
17L30.1Very low34.3Very low174 Ų174118 Ų11891%0.91177%0.769SS**  trans-62.292.9162.2-78.4159.6000108.2L15L15-L17 PolarHBondContact O-N 3.48Å; L15-L17 VanDerWaalsContact O-N 3.15Å
18L29.2Very low35.3Very low151 Ų151116.3 Ų116.379%0.79176%0.764SS**  trans-73.3127.5159.1-70.9169.3000107.4L16 G20L16-L18 VanDerWaalsContact C-N 3.3Å; L16-L18 PolarHBondContact O-N 3.34Å; L18-G20 PolarHBondContact O-N 3.42Å
19P32.8Very low37.7Very low123 Ų123114.2 Ų114.280%0.79974%0.744SS**  trans-61111.5162.8-10.724.9000106.7
20G28.9Very low40.3Very low60 Ų60110.7 Ų110.762%0.61973%0.725SS**  trans-54.1143.4165.300000108.6L18 A22L18-G20 PolarHBondContact O-N 3.42Å; G20-A22 PolarHBondContact O-N 3.21Å
21P31.9Very low43Very low125 Ų125109.3 Ų109.381%0.81272%0.721SS**  trans-58128.5-176.226-32.2000108.2G23P21-G23 VanDerWaalsContact C-N 3.29Å; P21-G23 PolarHBondContact O-N 2.89Å
22A33.7Very low45.7Very low104 Ų104102.9 Ų102.986%0.8669%0.687SS**  trans-53.7100.216500000107.3G20 S24G20-A22 PolarHBondContact O-N 3.21Å; A22-S24 PolarHBondContact O-N 3.03Å
23G30.8Very low48.4Very low68 Ų68103.3 Ų103.370%0.70168%0.675SS**  trans-61.5119.4-178.600000108.8P21 E25P21-G23 VanDerWaalsContact C-N 3.29Å; P21-G23 PolarHBondContact O-N 2.89Å; G23-E25 PolarHBondContact O-N 3.44Å; G23-E25 VanDerWaalsContact O-N 3.11Å
24S31.9Very low50.9Low110 Ų11097.8 Ų97.877%0.76964%0.643SS**  trans-47.6112.2-177.560.70000112.5A22 G26A22-S24 PolarHBondContact O-N 3.03Å; S24-G26 VanDerWaalsContact C-N 3.27Å; S24-G26 PolarHBondContact O-N 2.96Å
25E41.6Very low53.5Low173 Ų17396.6 Ų96.681%0.80862%0.624SS**SBendtrans-6888.7157.5-80.6-156.5144.400108.5G23G23-E25 PolarHBondContact O-N 3.44Å; G23-E25 VanDerWaalsContact O-N 3.11Å
26G45.8Very low56.1Low63 Ų6389.8 Ų89.865%0.64959%0.59SS**  trans-175.539.6-179.700000113.6S24 A28S24-G26 VanDerWaalsContact C-N 3.27Å; S24-G26 PolarHBondContact O-N 2.96Å; G26-A28 PolarHBondContact O-N 3.37Å
27A58.4Low58.8Low82 Ų8285.3 Ų85.368%0.67856%0.563SS**PPolyproline II helixtrans-74.1123169.700000109
28A67.6Low61.5Low78 Ų7877.2 Ų77.265%0.64552%0.521SS*.PPolyproline II helixtrans-55.9141.7174.200000110.6G26 I30G26-A28 PolarHBondContact O-N 3.37Å; A28-I30 PolarHBondContact O-N 3.13Å
29P80.7Confident64.1Low39 Ų3973.3 Ų73.325%0.25350%0.501SS..PPolyproline II helixtrans-61.4137.918023.3-31.4000111.1A31 D47 L49P29-A31 PolarHBondContact O-N 3.08Å; P29-D47 CarbonylContact C-O 3.58Å; P29-D47 WeakPolarHBondContact CA-O 3.35Å; P29-D47 HydrophobicContact CB-CB 4.07Å; P29-L49 HydrophobicContact CB-CB 4.28Å
30I86.4Confident66.5Low74 Ų7471 Ų7138%0.37948%0.482SS..EExtended strand (participates in β ladder)trans-71.9117178.9-58.1169.8000108.2A28 I32 D47 V48 L49A28-I30 PolarHBondContact O-N 3.13Å; I30-I32 HydrophobicContact CG2-CG2 4.21Å; I30-I32 PolarHBondContact O-N 2.88Å; I30-D47 PolarHBondContact N-O 2.71Å; I30-V48 HydrophobicContact CB-CG1 4.42Å; I30-V48 CarbonylContact O-C 3.59Å; I30-V48 WeakPolarHBondContact O-CA 3.23Å; I30-L49 PolarHBondContact O-N 2.62Å
31A89Confident69.1Low84 Ų8469.2 Ų69.269%0.69446%0.458SS*.EExtended strand (participates in β ladder)trans-63.8125.817200000110P29P29-A31 PolarHBondContact O-N 3.08Å
32I88.9Confident71.2Confident20 Ų2075.1 Ų75.110%0.10346%0.464CS..  trans-121.4170.2-178.659.9164.1000110.9I30 T36 V48 L49 P51 I73 C74I30-I32 HydrophobicContact CG2-CG2 4.21Å; I30-I32 PolarHBondContact O-N 2.88Å; I32-T36 HydrophobicContact CB-CG2 4.01Å; I32-T36 HydrophobicContact CG2-CG2 3.89Å; I32-V48 HydrophobicContact CD1-CB 3.84Å; I32-V48 HydrophobicContact CD1-CG1 4.5Å; I32-V48 HydrophobicContact CD1-CG2 3.57Å; I32-V48 HydrophobicContact CG1-CB 4.03Å; I32-V48 HydrophobicContact CG1-CG2 4.22Å; I32-V48 HydrophobicContact CG2-CB 3.94Å; I32-V48 HydrophobicContact CG2-CG1 4Å; I32-L49 WeakPolarHBondContact CG1-O 2.99Å; I32-L49 PolarHBondContact N-O 3.32Å; I32-L49 VanDerWaalsContact N-O 3.12Å; I32-P51 VanDerWaalsContact O-CD 3.31Å; I32-P51 WeakPolarHBondContact O-CD 3.4Å; I32-I73 HydrophobicContact CD1-CB 4.1Å; I32-I73 HydrophobicContact CD1-CD1 4.48Å; I32-I73 HydrophobicContact CD1-CG2 4.1Å; I32-C74 VanDerWaalsContact CD1-SG 3.52Å
33T88.1Confident73.5Confident82 Ų8276.2 Ų76.250%0.50345%0.449SS..  trans-94.6162.5172.368.40000110.4F35 T36T33-F35 PolarHBondContact O-N 3.14Å; T33-F35 PolarHBondContact OG1-N 3.02Å; T33-T36 PolarHBondContact N-OG1 3.39Å; T33-T36 PolarHBondContact O-N 3.45Å; T33-T36 PolarHBondContact O-OG1 3.02Å; T33-T36 PolarHBondContact OG1-N 2.95Å; T33-T36 PolarHBondContact OG1-OG1 3.08Å
34C85.2Confident76.2Confident17 Ų1781 Ų8112%0.11545%0.453CS..THydrogen-bonded Turntrans-49.9-26.4172.9-66.60000113.5C54 F59 S72C34-C54 VanDerWaalsContact CA-SG 3.57Å; C34-C54 HydrophobicContact CB-CB 3.73Å; C34-C54 WeakPolarHBondContact CB-SG 3.45Å; C34-C54 WeakPolarHBondContact SG-CA 3.17Å; C34-C54 WeakPolarHBondContact SG-CB 3.42Å; C34-C54 CovalentContact SG-SG 2.04Å; C34-C54 PolarHBondContact SG-SG 3.32Å; C34-F59 HydrophobicContact CB-CE1 3.98Å; C34-F59 WeakPolarHBondContact O-CE1 3.43Å; C34-S72 PolarHBondContact O-OG 3.1Å
35F81.9Confident79.1Confident86 Ų8680.3 Ų80.338%0.37744%0.437SS..THydrogen-bonded Turntrans-107.66.4-174.2-50.4-71.5000113.8T33 R37 P55 E58T33-F35 PolarHBondContact O-N 3.14Å; T33-F35 PolarHBondContact OG1-N 3.02Å; F35-R37 PolarHBondContact O-N 3.36Å; F35-P55 HydrophobicContact CE1-CG 4.19Å; F35-P55 HydrophobicContact CZ-CG 3.67Å; F35-E58 HydrophobicContact CE1-CB 3.95Å; F35-E58 HydrophobicContact CZ-CB 4.46Å; F35-E58 WeakPolarHBondContact CZ-OE2 3.26Å
36T84.3Confident81.5Confident23 Ų2372.3 Ų72.314%0.14140%0.4CS..  trans-66.4125.7176.1-57.70000109.6I32 T33 D40 I73I32-T36 HydrophobicContact CB-CG2 4.01Å; I32-T36 HydrophobicContact CG2-CG2 3.89Å; T33-T36 PolarHBondContact N-OG1 3.39Å; T33-T36 PolarHBondContact O-N 3.45Å; T33-T36 PolarHBondContact O-OG1 3.02Å; T33-T36 PolarHBondContact OG1-N 2.95Å; T33-T36 PolarHBondContact OG1-OG1 3.08Å; T36-D40 HydrophobicContact CG2-CB 4.01Å; T36-I73 HydrophobicContact CG2-CD1 4.27Å; T36-I73 PolarHBondContact O-N 3.17Å
37R88.3Confident83.7Confident56 Ų5671.1 Ų71.121%0.21138%0.379CS..BIsolated β-bridgetrans-95.8161.4-173.9-59.6175.5-66-175.7-1.8111.8F35 L39 D40 S69 V70 S71 I73F35-R37 PolarHBondContact O-N 3.36Å; R37-L39 HydrophobicContact CB-CD2 4.47Å; R37-L39 HydrophobicContact CB-CG 4.05Å; R37-L39 PolarHBondContact O-N 2.84Å; R37-D40 WeakPolarHBondContact CB-OD2 3.42Å; R37-D40 PolarHBondContact N-OD2 2.94Å; R37-D40 IonicContact NE-OD2 2.84Å; R37-D40 IonicContact NH2-OD1 3.86Å; R37-D40 WeakPolarHBondContact O-CB 3.03Å; R37-D40 PolarHBondContact O-N 3.45Å; R37-S69 WeakPolarHBondContact CB-O 3.03Å; R37-V70 WeakPolarHBondContact CD-O 3.44Å; R37-V70 WeakPolarHBondContact CG-O 3.45Å; R37-S71 WeakPolarHBondContact CA-O 3.02Å; R37-I73 WeakPolarHBondContact O-CD1 3.32Å
38G85.9Confident85.4Confident4 Ų467.2 Ų67.24%0.04135%0.346CS..G310 helixtrans-53.5-37.3173.200000113.1D40 I41 S69 S71G38-D40 PolarHBondContact O-N 2.96Å; G38-I41 PolarHBondContact O-N 2.04Å; G38-S69 CarbonylContact C-O 3.55Å; G38-S69 WeakPolarHBondContact CA-O 3.45Å; G38-S69 PolarHBondContact N-O 3.08Å; G38-S69 VanDerWaalsContact N-O 3.08Å; G38-S71 PolarHBondContact N-O 3.08Å; G38-S71 VanDerWaalsContact N-O 3.16Å
39L84.9Confident86.7Confident69 Ų6967 Ų6736%0.36133%0.334SS..G310 helixtrans-69.9-19.6179.77187.9000113.7R37 I41 S69 V70R37-L39 HydrophobicContact CB-CD2 4.47Å; R37-L39 HydrophobicContact CB-CG 4.05Å; R37-L39 PolarHBondContact O-N 2.84Å; L39-I41 PolarHBondContact O-N 3.01Å; L39-S69 WeakPolarHBondContact CB-O 3.48Å; L39-S69 PolarHBondContact N-O 3.06Å; L39-V70 HydrophobicContact CD2-CB 4.3Å; L39-V70 HydrophobicContact CD2-CG2 4.48Å
40D83.1Confident87.3Confident75 Ų7565.4 Ų65.440%0.40132%0.323SS..G310 helixtrans-77-13.8178.2-57.9-43.1000111T36 R37 G38T36-D40 HydrophobicContact CG2-CB 4.01Å; R37-D40 WeakPolarHBondContact CB-OD2 3.42Å; R37-D40 PolarHBondContact N-OD2 2.94Å; R37-D40 IonicContact NE-OD2 2.84Å; R37-D40 IonicContact NH2-OD1 3.86Å; R37-D40 WeakPolarHBondContact O-CB 3.03Å; R37-D40 PolarHBondContact O-N 3.45Å; G38-D40 PolarHBondContact O-N 2.96Å
41I83.6Confident87.6Confident21 Ų2164.4 Ų64.411%0.10832%0.322CS..  trans-96.4106.1177.6-56.4-59.2000110G38 L39 K43 A46 V48 I73G38-I41 PolarHBondContact O-N 2.04Å; L39-I41 PolarHBondContact O-N 3.01Å; I41-K43 VanDerWaalsContact C-N 3.27Å; I41-K43 HydrophobicContact CG2-CB 4.43Å; I41-K43 PolarHBondContact O-N 3.33Å; I41-A46 HydrophobicContact CG2-CB 3.48Å; I41-A46 VanDerWaalsContact CG2-CB 3.48Å; I41-V48 HydrophobicContact CD1-CG1 4.02Å; I41-I73 HydrophobicContact CD1-CD1 4.25Å; I41-I73 HydrophobicContact CG1-CD1 3.5Å; I41-I73 VanDerWaalsContact CG1-CD1 3.5Å
42R75.6Confident87.7Confident249 Ų24962.5 Ų62.594%0.9431%0.311SS*.  trans-80.7-0.4-178.6-60.9-174.1179.8-161.4-3.1114.9
43K82.1Confident87.6Confident127 Ų12764.6 Ų64.655%0.55234%0.337SS*.SBendtrans-96.5145.9-178.9-62.4-176.9179.5-179.10109.5I41 K45 A46 S94I41-K43 VanDerWaalsContact C-N 3.27Å; I41-K43 HydrophobicContact CG2-CB 4.43Å; I41-K43 PolarHBondContact O-N 3.33Å; K43-K45 WeakPolarHBondContact CB-O 3.47Å; K43-K45 PolarHBondContact O-N 3.12Å; K43-A46 HydrophobicContact CB-CB 4.45Å; K43-S94 PolarHBondContact O-OG 2.82Å
44E86.1Confident87.5Confident169 Ų16960.9 Ų60.979%0.7932%0.315SS*.SBendtrans-61.7-32.8172.5-68.1-177.2172.900111.9S94E44-S94 PolarHBondContact O-N 2.82Å
45K92.7Very high87.4Confident96 Ų9662.4 Ų62.442%0.41732%0.324SS..EExtended strand (participates in β ladder)trans-137130.9176-177.3-175.6176.7-170.30109.6K43 V92 Y93K43-K45 WeakPolarHBondContact CB-O 3.47Å; K43-K45 PolarHBondContact O-N 3.12Å; K45-V92 WeakPolarHBondContact CA-O 3.3Å; K45-Y93 HydrophobicContact CD-CE1 4.01Å; K45-Y93 HydrophobicContact CG-CD1 4.25Å; K45-Y93 HydrophobicContact CG-CE1 4.02Å
46A92Very high87.1Confident5 Ų561 Ų614%0.04132%0.32CS..EExtended strand (participates in β ladder)trans-141.2142.8176.300000112I41 K43 V48 R91 V92I41-A46 HydrophobicContact CG2-CB 3.48Å; I41-A46 VanDerWaalsContact CG2-CB 3.48Å; K43-A46 HydrophobicContact CB-CB 4.45Å; A46-V48 HydrophobicContact CB-CG1 4.43Å; A46-R91 WeakPolarHBondContact O-CA 3.42Å; A46-V92 PolarHBondContact N-O 3.37Å; A46-V92 PolarHBondContact O-N 2.98Å
47D92.3Very high86.5Confident38 Ų3869.5 Ų69.520%0.20336%0.358CS..EExtended strand (participates in β ladder)trans-94.1127163.6-73.7-62.3000108.8P29 I30 R91P29-D47 CarbonylContact C-O 3.58Å; P29-D47 WeakPolarHBondContact CA-O 3.35Å; P29-D47 HydrophobicContact CB-CB 4.07Å; I30-D47 PolarHBondContact N-O 2.71Å; D47-R91 IonicContact OD1-CZ 3.06Å; D47-R91 IonicContact OD1-NE 2.66Å; D47-R91 PolarHBondContact OD1-NE 2.83Å; D47-R91 IonicContact OD1-NH2 2.71Å; D47-R91 PolarHBondContact OD1-NH2 3.01Å; D47-R91 IonicContact OD2-CZ 3.29Å; D47-R91 VanDerWaalsContact OD2-CZ 3.29Å; D47-R91 IonicContact OD2-NE 3.35Å; D47-R91 PolarHBondContact OD2-NE 2.76Å; D47-R91 IonicContact OD2-NH2 2.62Å; D47-R91 PolarHBondContact OD2-NH2 3.35Å
48V93.8Very high85.6Confident0 Ų072.9 Ų72.90%038%0.376CS..EExtended strand (participates in β ladder)trans-126.9156.5178.8-54.90000110.5I30 I32 I41 A46 I73 P89 V90 V92I30-V48 HydrophobicContact CB-CG1 4.42Å; I30-V48 CarbonylContact O-C 3.59Å; I30-V48 WeakPolarHBondContact O-CA 3.23Å; I32-V48 HydrophobicContact CD1-CB 3.84Å; I32-V48 HydrophobicContact CD1-CG1 4.5Å; I32-V48 HydrophobicContact CD1-CG2 3.57Å; I32-V48 HydrophobicContact CG1-CB 4.03Å; I32-V48 HydrophobicContact CG1-CG2 4.22Å; I32-V48 HydrophobicContact CG2-CB 3.94Å; I32-V48 HydrophobicContact CG2-CG1 4Å; I41-V48 HydrophobicContact CD1-CG1 4.02Å; A46-V48 HydrophobicContact CB-CG1 4.43Å; V48-I73 HydrophobicContact CG2-CG2 3.89Å; V48-P89 CarbonylContact O-C 3.56Å; V48-P89 WeakPolarHBondContact O-CA 3.26Å; V48-V90 HydrophobicContact CG2-CB 3.88Å; V48-V90 HydrophobicContact CG2-CG1 4.45Å; V48-V90 WeakPolarHBondContact CG2-O 3.31Å; V48-V90 PolarHBondContact N-O 3.43Å; V48-V90 PolarHBondContact O-N 3.35Å; V48-V92 HydrophobicContact CG1-CG2 4.35Å; V48-V92 HydrophobicContact CG2-CG2 3.93Å
49L95.3Very high85.3Confident74 Ų7473.3 Ų73.339%0.38738%0.377SS..EExtended strand (participates in β ladder)trans-117.2111.3176.7-173.367.6000109.4P29 I30 I32 P89P29-L49 HydrophobicContact CB-CB 4.28Å; I30-L49 PolarHBondContact O-N 2.62Å; I32-L49 WeakPolarHBondContact CG1-O 2.99Å; I32-L49 PolarHBondContact N-O 3.32Å; I32-L49 VanDerWaalsContact N-O 3.12Å; L49-P89 HydrophobicContact CD1-CB 4.25Å
50C94.4Very high85.2Confident4 Ų471.7 Ų71.73%0.02737%0.372CS..EExtended strand (participates in β ladder)trans-80132.4175.9-77.40000110.8C74 I83 G87 G88C50-C74 VanDerWaalsContact CA-SG 3.56Å; C50-C74 HydrophobicContact CB-CB 3.88Å; C50-C74 WeakPolarHBondContact CB-SG 3.33Å; C50-C74 WeakPolarHBondContact SG-CA 3.25Å; C50-C74 WeakPolarHBondContact SG-CB 3.38Å; C50-C74 CovalentContact SG-SG 2.05Å; C50-C74 PolarHBondContact SG-SG 3.29Å; C50-I83 HydrophobicContact CB-CD1 3.59Å; C50-G87 WeakPolarHBondContact O-CA 3.36Å; C50-G88 PolarHBondContact N-O 2.68Å; C50-G88 PolarHBondContact O-N 3.35Å
51P92.4Very high85.7Confident53 Ų5368.2 Ų68.234%0.34435%0.353SS..PPolyproline II helixtrans-70.9156.9174.330.9-33.3000110.6I32 C54 G87I32-P51 VanDerWaalsContact O-CD 3.31Å; I32-P51 WeakPolarHBondContact O-CD 3.4Å; P51-C54 PolarHBondContact O-SG 2.84Å; P51-G87 WeakPolarHBondContact O-CA 3.48Å
52G90.4Very high86.2Confident45 Ų4569.3 Ų69.346%0.46436%0.356SS..SBendtrans-82.6158.9172.100000112.6S86G52-S86 VanDerWaalsContact CA-O 3.23Å; G52-S86 WeakPolarHBondContact CA-O 3.46Å
53G87Confident87Confident63 Ų6357.5 Ų57.565%0.64931%0.312SS*.SBendtrans75.832.7176.200000113.8N85G53-N85 PolarHBondContact N-O 2.96Å
54C86.4Confident87.6Confident5 Ų554 Ų543%0.03430%0.299CS..  trans-71.4143.5177.2-66.80000111.5C34 P51 L56 F59 N85C34-C54 VanDerWaalsContact CA-SG 3.57Å; C34-C54 HydrophobicContact CB-CB 3.73Å; C34-C54 WeakPolarHBondContact CB-SG 3.45Å; C34-C54 WeakPolarHBondContact SG-CA 3.17Å; C34-C54 WeakPolarHBondContact SG-CB 3.42Å; C34-C54 CovalentContact SG-SG 2.04Å; C34-C54 PolarHBondContact SG-SG 3.32Å; P51-C54 PolarHBondContact O-SG 2.84Å; C54-L56 PolarHBondContact O-N 3.22Å; C54-F59 HydrophobicContact CB-CE1 3.78Å; C54-F59 HydrophobicContact CB-CE2 4.14Å; C54-F59 HydrophobicContact CB-CZ 3.23Å; C54-N85 PolarHBondContact N-OD1 2.69Å; C54-N85 VanDerWaalsContact N-OD1 3.1Å; C54-N85 PolarHBondContact O-ND2 3.33Å; C54-N85 VanDerWaalsContact O-ND2 3.14Å; C54-N85 PolarHBondContact O-OD1 3.27Å; C54-N85 VanDerWaalsContact O-OD1 3.08Å
55P82.3Confident87.9Confident49 Ų4949.8 Ų49.832%0.31828%0.281SS..  trans-73.299.8176.128.9-32.1000109.7F35 E57 E58F35-P55 HydrophobicContact CE1-CG 4.19Å; F35-P55 HydrophobicContact CZ-CG 3.67Å; P55-E57 PolarHBondContact O-N 3.18Å; P55-E58 HydrophobicContact CB-CB 4.21Å; P55-E58 HydrophobicContact CB-CG 4.04Å; P55-E58 HydrophobicContact CG-CB 4.08Å; P55-E58 HydrophobicContact CG-CG 4.25Å; P55-E58 PolarHBondContact O-N 3.5Å; P55-E58 VanDerWaalsContact O-N 3.09Å
56L77.1Confident88Confident56 Ų5646 Ų4629%0.29327%0.266SS..G310 helixtrans-59.1-33.4-174.3-62.1178000112.9C54 E58 F59 V78 N85 I109C54-L56 PolarHBondContact O-N 3.22Å; L56-E58 VanDerWaalsContact C-N 3.27Å; L56-E58 PolarHBondContact O-N 3.39Å; L56-F59 HydrophobicContact CD2-CD2 4.09Å; L56-F59 HydrophobicContact CD2-CE2 3.57Å; L56-F59 PolarHBondContact O-N 3.23Å; L56-V78 HydrophobicContact CD2-CG1 4.1Å; L56-N85 HydrophobicContact CD1-CB 4.44Å; L56-N85 HydrophobicContact CD2-CB 4.27Å; L56-I109 HydrophobicContact CD2-CD1 4.26Å; L56-I109 HydrophobicContact CD2-CG1 4.47Å
57E70.6Confident88.3Confident201 Ų20145.7 Ų45.794%0.93926%0.264SS*.G310 helixtrans-70.8-19.7179.7-62.6-179.618000113.5P55P55-E57 PolarHBondContact O-N 3.18Å
58E69.8Low88.4Confident127 Ų12743.9 Ų43.959%0.59325%0.254SS*.G310 helixtrans-95.8-0.4-177.3-63.6-176.8-173.300112.8F35 P55 L56 S60F35-E58 HydrophobicContact CE1-CB 3.95Å; F35-E58 HydrophobicContact CZ-CB 4.46Å; F35-E58 WeakPolarHBondContact CZ-OE2 3.26Å; P55-E58 HydrophobicContact CB-CB 4.21Å; P55-E58 HydrophobicContact CB-CG 4.04Å; P55-E58 HydrophobicContact CG-CB 4.08Å; P55-E58 HydrophobicContact CG-CG 4.25Å; P55-E58 PolarHBondContact O-N 3.5Å; P55-E58 VanDerWaalsContact O-N 3.09Å; L56-E58 VanDerWaalsContact C-N 3.27Å; L56-E58 PolarHBondContact O-N 3.39Å; E58-S60 PolarHBondContact O-N 2.97Å
59F79.1Confident88.4Confident13 Ų1344.3 Ų44.36%0.05726%0.257CS..  trans-75.7121.2-180-69.3-33.1000112.3C34 C54 L56 V61 C74 G75 I109C34-F59 HydrophobicContact CB-CE1 3.98Å; C34-F59 WeakPolarHBondContact O-CE1 3.43Å; C54-F59 HydrophobicContact CB-CE1 3.78Å; C54-F59 HydrophobicContact CB-CE2 4.14Å; C54-F59 HydrophobicContact CB-CZ 3.23Å; L56-F59 HydrophobicContact CD2-CD2 4.09Å; L56-F59 HydrophobicContact CD2-CE2 3.57Å; L56-F59 PolarHBondContact O-N 3.23Å; F59-V61 HydrophobicContact CB-CG2 4.06Å; F59-V61 PolarHBondContact O-N 3.11Å; F59-C74 HydrophobicContact CZ-CB 4.36Å; F59-G75 VanDerWaalsContact CD2-CA 3.43Å; F59-I109 HydrophobicContact CD2-CD1 3.69Å; F59-I109 HydrophobicContact CD2-CG1 4.45Å; F59-I109 HydrophobicContact CE2-CD1 4.12Å
60S82.6Confident88.1Confident36 Ų3642 Ų4225%0.25225%0.246SC..  trans-80.8106.1162.4-45.80000109.1E58 S71 S72E58-S60 PolarHBondContact O-N 2.97Å; S60-S71 CarbonylContact O-C 3.59Å; S60-S71 WeakPolarHBondContact O-CA 3.36Å; S60-S72 PolarHBondContact O-N 3.19Å
61V93.9Very high88Confident1 Ų141.9 Ų41.91%0.00625%0.245CC..  trans-121.4116.2174.4-177.10000108.3F59 Y67 H79 I109 S111 Q112F59-V61 HydrophobicContact CB-CG2 4.06Å; F59-V61 PolarHBondContact O-N 3.11Å; V61-Y67 HydrophobicContact CG1-CD1 3.54Å; V61-Y67 HydrophobicContact CG1-CE1 3.58Å; V61-H79 HydrophobicContact CG1-CB 4.36Å; V61-I109 HydrophobicContact CB-CG2 4.27Å; V61-I109 HydrophobicContact CG2-CG2 3.97Å; V61-S111 CarbonylContact O-C 3.6Å; V61-S111 VanDerWaalsContact O-CA 3.23Å; V61-S111 WeakPolarHBondContact O-CA 3.18Å; V61-S111 WeakPolarHBondContact O-CB 3.36Å; V61-Q112 PolarHBondContact O-N 3.42Å
62Y93.6Very high88.2Confident45 Ų4539.6 Ų39.618%0.17623%0.23CC..BIsolated β-bridgetrans-114.5117.2179.3-62.1-87.1000110Y67 A68 V70 S71 Q112 L114Y62-Y67 CarbonylContact O-C 3.59Å; Y62-Y67 VanDerWaalsContact O-CA 3.24Å; Y62-Y67 WeakPolarHBondContact O-CA 3.4Å; Y62-A68 PolarHBondContact O-N 3.12Å; Y62-V70 HydrophobicContact CD2-CG1 3.66Å; Y62-V70 HydrophobicContact CE2-CG1 4.03Å; Y62-V70 HydrophobicContact CG-CG1 4.43Å; Y62-S71 PolarHBondContact N-OG 3.46Å; Y62-S71 PolarHBondContact O-OG 2.8Å; Y62-Q112 WeakPolarHBondContact CA-O 3.45Å; Y62-Q112 HydrophobicContact CD1-CB 3.52Å; Y62-Q112 HydrophobicContact CE1-CB 3.54Å; Y62-Q112 HydrophobicContact CE1-CG 4.28Å; Y62-Q112 HydrophobicContact CG-CB 4.44Å; Y62-Q112 PolarHBondContact OH-OE1 3.46Å; Y62-L114 HydrophobicContact CD1-CB 3.99Å; Y62-L114 HydrophobicContact CD1-CD2 4.49Å; Y62-L114 HydrophobicContact CG-CB 4.37Å; Y62-L114 HydrophobicContact CG-CD2 4.3Å
63G93.6Very high88.5Confident0 Ų037.4 Ų37.40%021%0.208CC..BIsolated β-bridgetrans104-179.2-178.200000114.9Y67 S102 S111 Q112G63-Y67 WeakPolarHBondContact O-CD1 3.35Å; G63-Y67 VanDerWaalsContact O-CE1 3.32Å; G63-Y67 WeakPolarHBondContact O-CE1 3.49Å; G63-S102 CarbonylContact C-O 3.53Å; G63-S102 WeakPolarHBondContact CA-O 3.29Å; G63-S111 WeakPolarHBondContact O-CB 3.31Å; G63-S111 PolarHBondContact O-OG 3.1Å; G63-Q112 PolarHBondContact N-O 3.04Å
64N93.4Very high88.9Confident53 Ų5334.5 Ų34.528%0.28318%0.177SC..SBendtrans-140.4136.5178175.926.8000108.2V66 V104N64-V66 PolarHBondContact O-N 2.63Å; N64-V104 HydrophobicContact CB-CB 4.35Å; N64-V104 HydrophobicContact CB-CG2 3.99Å
65I92.8Very high89.2Confident82 Ų8234.2 Ų34.242%0.42118%0.176SC..SBendtrans65.8-53.2-174.8-60.7179.2000113.2R80 T122I65-R80 PolarHBondContact O-NH1 3.09Å; I65-T122 PolarHBondContact O-OG1 3.24Å; I65-T122 VanDerWaalsContact O-OG1 3.13Å
66V95.9Very high89.9Confident15 Ų1531.9 Ų31.99%0.09116%0.161CC..SBendtrans-112.1123.6171177.20000107.7N64 L95 S120N64-V66 PolarHBondContact O-N 2.63Å; V66-L95 HydrophobicContact CG1-CD1 3.96Å; V66-L95 HydrophobicContact CG2-CD1 3.99Å; V66-S120 VanDerWaalsContact CG1-CB 3.46Å
67Y96.9Very high90.9Very high0 Ų029.2 Ų29.20%015%0.147CC..EExtended strand (participates in β ladder)trans-109.9141-173.7-56-81.6000109.7V61 Y62 G63 A76 H79 R80 S120 F121 V123V61-Y67 HydrophobicContact CG1-CD1 3.54Å; V61-Y67 HydrophobicContact CG1-CE1 3.58Å; Y62-Y67 CarbonylContact O-C 3.59Å; Y62-Y67 VanDerWaalsContact O-CA 3.24Å; Y62-Y67 WeakPolarHBondContact O-CA 3.4Å; G63-Y67 WeakPolarHBondContact O-CD1 3.35Å; G63-Y67 VanDerWaalsContact O-CE1 3.32Å; G63-Y67 WeakPolarHBondContact O-CE1 3.49Å; Y67-A76 HydrophobicContact CD1-CB 4.09Å; Y67-A76 HydrophobicContact CD2-CB 3.59Å; Y67-A76 HydrophobicContact CE1-CB 4.23Å; Y67-A76 HydrophobicContact CE2-CB 3.73Å; Y67-A76 HydrophobicContact CG-CB 3.75Å; Y67-A76 PolarHBondContact OH-O 3.38Å; Y67-H79 AromaticContact CE1-ND1 3.48Å; Y67-H79 WeakPolarHBondContact CE1-ND1 3.28Å; Y67-H79 AromaticContact CZ-ND1 3.58Å; Y67-H79 PolarHBondContact OH-ND1 3.18Å; Y67-R80 WeakPolarHBondContact OH-CB 3.11Å; Y67-S120 CarbonylContact O-C 3.42Å; Y67-S120 VanDerWaalsContact O-CA 3.22Å; Y67-S120 WeakPolarHBondContact O-CA 3.43Å; Y67-S120 WeakPolarHBondContact O-CB 3.4Å; Y67-F121 HydrophobicContact CD2-CE2 4.46Å; Y67-F121 PolarHBondContact N-O 2.88Å; Y67-F121 WeakPolarHBondContact O-CD1 3.48Å; Y67-F121 PolarHBondContact O-N 3.29Å; Y67-V123 HydrophobicContact CE2-CG2 4.19Å
68A94.2Very high92.1Very high0 Ų020.1 Ų20.10%011%0.105CC..EExtended strand (participates in β ladder)trans-60141.8172.600000108.8Y62 V70 S71 Y101 L114 W117 F121Y62-A68 PolarHBondContact O-N 3.12Å; A68-V70 HydrophobicContact CB-CG1 4.07Å; A68-V70 PolarHBondContact O-N 3.23Å; A68-S71 WeakPolarHBondContact O-CB 3.19Å; A68-S71 PolarHBondContact O-N 3.42Å; A68-S71 PolarHBondContact O-OG 2.8Å; A68-Y101 HydrophobicContact CB-CD1 4.12Å; A68-Y101 HydrophobicContact CB-CD2 4.25Å; A68-Y101 HydrophobicContact CB-CE1 3.8Å; A68-Y101 HydrophobicContact CB-CE2 3.94Å; A68-Y101 HydrophobicContact CB-CG 4.32Å; A68-Y101 VanDerWaalsContact N-CE1 3.28Å; A68-L114 HydrophobicContact CB-CD2 3.6Å; A68-W117 HydrophobicContact CB-CB 3.99Å; A68-W117 HydrophobicContact CB-CG 4.06Å; A68-F121 WeakPolarHBondContact O-CE1 3.44Å
69S93.8Very high93.3Very high8 Ų814.2 Ų14.26%0.0568%0.077CC..THydrogen-bonded Turntrans-60.9-14.7-175.168.20000114.4R37 G38 L39 S71 W117 A119R37-S69 WeakPolarHBondContact CB-O 3.03Å; G38-S69 CarbonylContact C-O 3.55Å; G38-S69 WeakPolarHBondContact CA-O 3.45Å; G38-S69 PolarHBondContact N-O 3.08Å; G38-S69 VanDerWaalsContact N-O 3.08Å; L39-S69 WeakPolarHBondContact CB-O 3.48Å; L39-S69 PolarHBondContact N-O 3.06Å; S69-S71 PolarHBondContact O-N 3.01Å; S69-W117 PolarHBondContact OG-NE1 3.44Å; S69-A119 WeakPolarHBondContact CB-O 3.26Å; S69-A119 PolarHBondContact N-O 3.15Å; S69-A119 PolarHBondContact OG-O 3.12Å
70V88.8Confident94.1Very high27 Ų2718.1 Ų18.116%0.1649%0.092CC..THydrogen-bonded Turntrans-72.7-11.6169.971.50000114R37 L39 Y62 A68 L114 W117R37-V70 WeakPolarHBondContact CD-O 3.44Å; R37-V70 WeakPolarHBondContact CG-O 3.45Å; L39-V70 HydrophobicContact CD2-CB 4.3Å; L39-V70 HydrophobicContact CD2-CG2 4.48Å; Y62-V70 HydrophobicContact CD2-CG1 3.66Å; Y62-V70 HydrophobicContact CE2-CG1 4.03Å; Y62-V70 HydrophobicContact CG-CG1 4.43Å; A68-V70 HydrophobicContact CB-CG1 4.07Å; A68-V70 PolarHBondContact O-N 3.23Å; V70-L114 HydrophobicContact CG1-CD2 4.29Å; V70-W117 HydrophobicContact CB-CH2 4.29Å; V70-W117 HydrophobicContact CB-CZ2 3.7Å; V70-W117 HydrophobicContact CG1-CD2 4.37Å; V70-W117 HydrophobicContact CG1-CZ2 4.31Å; V70-W117 HydrophobicContact CG2-CH2 4.35Å; V70-W117 HydrophobicContact CG2-CZ2 4.11Å
71S94.4Very high94.7Very high0 Ų018.7 Ų18.70%010%0.103CC..SBendtrans-75.1146.4180-50.30000112.5R37 G38 S60 Y62 A68 S69 I73R37-S71 WeakPolarHBondContact CA-O 3.02Å; G38-S71 PolarHBondContact N-O 3.08Å; G38-S71 VanDerWaalsContact N-O 3.16Å; S60-S71 CarbonylContact O-C 3.59Å; S60-S71 WeakPolarHBondContact O-CA 3.36Å; Y62-S71 PolarHBondContact N-OG 3.46Å; Y62-S71 PolarHBondContact O-OG 2.8Å; A68-S71 WeakPolarHBondContact O-CB 3.19Å; A68-S71 PolarHBondContact O-N 3.42Å; A68-S71 PolarHBondContact O-OG 2.8Å; S69-S71 PolarHBondContact O-N 3.01Å; S71-I73 PolarHBondContact O-N 3.21Å
72S95.6Very high94.7Very high5 Ų520 Ų204%0.03511%0.11CC..BIsolated β-bridgetrans-59.9131.4169.4167.70000110.7C34 S60 C74 G75 A76C34-S72 PolarHBondContact O-OG 3.1Å; S60-S72 PolarHBondContact O-N 3.19Å; S72-C74 PolarHBondContact OG-N 3.32Å; S72-G75 PolarHBondContact OG-N 3.17Å; S72-A76 WeakPolarHBondContact O-CB 3.03Å; S72-A76 PolarHBondContact O-N 3.21Å
73I95.9Very high94.8Very high0 Ų018.9 Ų18.90%011%0.108CC..Hα-helixtrans-66.5-43176-66.6164.3000110.7I32 T36 R37 I41 V48 S71 A76 A77 V90 V92 F121 V123I32-I73 HydrophobicContact CD1-CB 4.1Å; I32-I73 HydrophobicContact CD1-CD1 4.48Å; I32-I73 HydrophobicContact CD1-CG2 4.1Å; T36-I73 HydrophobicContact CG2-CD1 4.27Å; T36-I73 PolarHBondContact O-N 3.17Å; R37-I73 WeakPolarHBondContact O-CD1 3.32Å; I41-I73 HydrophobicContact CD1-CD1 4.25Å; I41-I73 HydrophobicContact CG1-CD1 3.5Å; I41-I73 VanDerWaalsContact CG1-CD1 3.5Å; V48-I73 HydrophobicContact CG2-CG2 3.89Å; S71-I73 PolarHBondContact O-N 3.21Å; I73-A76 PolarHBondContact O-N 3.22Å; I73-A77 VanDerWaalsContact O-CB 3.25Å; I73-A77 WeakPolarHBondContact O-CB 3.35Å; I73-A77 PolarHBondContact O-N 3.01Å; I73-V90 HydrophobicContact CG2-CG1 4.19Å; I73-V92 HydrophobicContact CD1-CG2 4.23Å; I73-V92 HydrophobicContact CG1-CG2 4.43Å; I73-V92 HydrophobicContact CG2-CG2 3.59Å; I73-F121 HydrophobicContact CB-CE2 4.44Å; I73-F121 HydrophobicContact CG1-CE2 3.97Å; I73-F121 HydrophobicContact CG1-CZ 4.11Å; I73-V123 HydrophobicContact CG2-CG1 4.25Å
74C95.4Very high94.7Very high1 Ų122.2 Ų22.21%0.00713%0.131CC..Hα-helixtrans-70-40.6179.7-58.70000111.3I32 C50 F59 S72 A77 V78I32-C74 VanDerWaalsContact CD1-SG 3.52Å; C50-C74 VanDerWaalsContact CA-SG 3.56Å; C50-C74 HydrophobicContact CB-CB 3.88Å; C50-C74 WeakPolarHBondContact CB-SG 3.33Å; C50-C74 WeakPolarHBondContact SG-CA 3.25Å; C50-C74 WeakPolarHBondContact SG-CB 3.38Å; C50-C74 CovalentContact SG-SG 2.05Å; C50-C74 PolarHBondContact SG-SG 3.29Å; F59-C74 HydrophobicContact CZ-CB 4.36Å; S72-C74 PolarHBondContact OG-N 3.32Å; C74-A77 PolarHBondContact O-N 3.37Å; C74-V78 WeakPolarHBondContact O-CG2 3.49Å; C74-V78 PolarHBondContact O-N 3.36Å
75G94.6Very high94.6Very high0 Ų022.5 Ų22.50%013%0.132CC..Hα-helixtrans-61.4-46.3172.300000112.1F59 S72 A77 V78 H79 I109F59-G75 VanDerWaalsContact CD2-CA 3.43Å; S72-G75 PolarHBondContact OG-N 3.17Å; G75-A77 VanDerWaalsContact C-N 3.29Å; G75-A77 PolarHBondContact O-N 3.37Å; G75-V78 PolarHBondContact O-N 2.86Å; G75-H79 WeakPolarHBondContact O-CB 3.43Å; G75-H79 PolarHBondContact O-N 2.9Å; G75-I109 VanDerWaalsContact O-CD1 3.31Å; G75-I109 WeakPolarHBondContact O-CD1 3.09Å
76A96.7Very high94.4Very high0 Ų023 Ų230%014%0.143CC..Hα-helixtrans-61.5-35.5174.800000112.7Y67 S72 I73 R80 F121 V123Y67-A76 HydrophobicContact CD1-CB 4.09Å; Y67-A76 HydrophobicContact CD2-CB 3.59Å; Y67-A76 HydrophobicContact CE1-CB 4.23Å; Y67-A76 HydrophobicContact CE2-CB 3.73Å; Y67-A76 HydrophobicContact CG-CB 3.75Å; Y67-A76 PolarHBondContact OH-O 3.38Å; S72-A76 WeakPolarHBondContact O-CB 3.03Å; S72-A76 PolarHBondContact O-N 3.21Å; I73-A76 PolarHBondContact O-N 3.22Å; A76-R80 WeakPolarHBondContact O-CB 3.41Å; A76-R80 PolarHBondContact O-N 2.8Å; A76-F121 HydrophobicContact CB-CE2 3.82Å; A76-F121 HydrophobicContact CB-CZ 3.82Å; A76-V123 HydrophobicContact CB-CG2 4.48Å
77A96.6Very high94.2Very high0 Ų023 Ų230%015%0.146CC..Hα-helixtrans-72.9-38.5178.200000112.6I73 C74 G75 G81 V82 I83 V90 V123I73-A77 VanDerWaalsContact O-CB 3.25Å; I73-A77 WeakPolarHBondContact O-CB 3.35Å; I73-A77 PolarHBondContact O-N 3.01Å; C74-A77 PolarHBondContact O-N 3.37Å; G75-A77 VanDerWaalsContact C-N 3.29Å; G75-A77 PolarHBondContact O-N 3.37Å; A77-G81 PolarHBondContact O-N 2.95Å; A77-V82 HydrophobicContact CB-CB 4.22Å; A77-V82 WeakPolarHBondContact O-CB 3.44Å; A77-V82 PolarHBondContact O-N 3.06Å; A77-I83 HydrophobicContact CB-CD1 3.88Å; A77-I83 HydrophobicContact CB-CG1 3.71Å; A77-I83 PolarHBondContact O-N 2.83Å; A77-V90 HydrophobicContact CB-CB 4.45Å; A77-V90 HydrophobicContact CB-CG1 3.94Å; A77-V90 HydrophobicContact CB-CG2 3.62Å; A77-V123 HydrophobicContact CB-CG2 4.31Å
78V95.8Very high94Very high10 Ų1023.6 Ų23.66%0.06115%0.153CC..Hα-helixtrans-67.2-49.3170.71750000110.4L56 C74 G75 R80 G81 I83 N107 I109L56-V78 HydrophobicContact CD2-CG1 4.1Å; C74-V78 WeakPolarHBondContact O-CG2 3.49Å; C74-V78 PolarHBondContact O-N 3.36Å; G75-V78 PolarHBondContact O-N 2.86Å; V78-R80 PolarHBondContact O-N 3.22Å; V78-G81 WeakPolarHBondContact O-CA 3.38Å; V78-G81 PolarHBondContact O-N 3.34Å; V78-I83 WeakPolarHBondContact CA-O 3.46Å; V78-I83 HydrophobicContact CG2-CD1 4.24Å; V78-I83 HydrophobicContact CG2-CG1 3.86Å; V78-N107 WeakPolarHBondContact O-CB 3.43Å; V78-I109 HydrophobicContact CB-CD1 3.65Å; V78-I109 HydrophobicContact CG1-CD1 3.6Å; V78-I109 HydrophobicContact CG1-CG1 4.33Å
79H96.3Very high94Very high3 Ų325.1 Ų25.11%0.01416%0.162CC..Hα-helixtrans-55.4-39.5177.2178.3-88.1000111.3V61 Y67 G75 G81 V104 A106 N107 I109V61-H79 HydrophobicContact CG1-CB 4.36Å; Y67-H79 AromaticContact CE1-ND1 3.48Å; Y67-H79 WeakPolarHBondContact CE1-ND1 3.28Å; Y67-H79 AromaticContact CZ-ND1 3.58Å; Y67-H79 PolarHBondContact OH-ND1 3.18Å; G75-H79 WeakPolarHBondContact O-CB 3.43Å; G75-H79 PolarHBondContact O-N 2.9Å; H79-G81 VanDerWaalsContact C-N 3.3Å; H79-G81 PolarHBondContact O-N 3.24Å; H79-V104 PolarHBondContact NE2-O 3.36Å; H79-V104 VanDerWaalsContact NE2-O 3.13Å; H79-A106 WeakPolarHBondContact O-CB 3.33Å; H79-N107 PolarHBondContact O-ND2 3.38Å; H79-I109 HydrophobicContact CB-CB 4.18Å; H79-I109 HydrophobicContact CB-CD1 4.2Å; H79-I109 HydrophobicContact CB-CG2 4.27Å; H79-I109 PolarHBondContact CD2-O 3.29Å; H79-I109 VanDerWaalsContact CD2-O 3.23Å
80R95.6Very high94.1Very high95 Ų9524.7 Ų24.736%0.35816%0.16SC..THydrogen-bonded Turntrans-78-9.8176.6-165.654.4-171.7-90.79.7114.3I65 Y67 A76 V78 V82 V123I65-R80 PolarHBondContact O-NH1 3.09Å; Y67-R80 WeakPolarHBondContact OH-CB 3.11Å; A76-R80 WeakPolarHBondContact O-CB 3.41Å; A76-R80 PolarHBondContact O-N 2.8Å; V78-R80 PolarHBondContact O-N 3.22Å; R80-V82 VanDerWaalsContact C-N 3.3Å; R80-V82 HydrophobicContact CB-CG2 3.99Å; R80-V82 HydrophobicContact CG-CG2 3.9Å; R80-V123 HydrophobicContact CB-CG2 4.04Å; R80-V123 HydrophobicContact CG-CG2 4.36Å
81G94.1Very high94.5Very high47 Ų4724.9 Ų24.949%0.48516%0.157SC..THydrogen-bonded Turntrans72.720.4-174.400000113.9A77 V78 H79 N107A77-G81 PolarHBondContact O-N 2.95Å; V78-G81 WeakPolarHBondContact O-CA 3.38Å; V78-G81 PolarHBondContact O-N 3.34Å; H79-G81 VanDerWaalsContact C-N 3.3Å; H79-G81 PolarHBondContact O-N 3.24Å; G81-N107 PolarHBondContact N-ND2 2.73Å
82V95.6Very high94.6Very high28 Ų2824.9 Ų24.917%0.1716%0.157CC..SBendtrans-74.5-37.21771730000111.2A77 R80 V90 V123 T124 K125A77-V82 HydrophobicContact CB-CB 4.22Å; A77-V82 WeakPolarHBondContact O-CB 3.44Å; A77-V82 PolarHBondContact O-N 3.06Å; R80-V82 VanDerWaalsContact C-N 3.3Å; R80-V82 HydrophobicContact CB-CG2 3.99Å; R80-V82 HydrophobicContact CG-CG2 3.9Å; V82-V90 HydrophobicContact CG1-CG2 4.46Å; V82-V123 HydrophobicContact CG2-CG2 4.21Å; V82-T124 VanDerWaalsContact CG1-C 3.41Å; V82-T124 WeakPolarHBondContact CG1-O 3.33Å; V82-K125 HydrophobicContact CG1-CB 4.36Å
83I94.6Very high94.6Very high23 Ų2328.6 Ų28.612%0.11817%0.171CC..SBendtrans-133.9163.7172.861.2175.2000109.1C50 A77 V78 V90C50-I83 HydrophobicContact CB-CD1 3.59Å; A77-I83 HydrophobicContact CB-CD1 3.88Å; A77-I83 HydrophobicContact CB-CG1 3.71Å; A77-I83 PolarHBondContact O-N 2.83Å; V78-I83 WeakPolarHBondContact CA-O 3.46Å; V78-I83 HydrophobicContact CG2-CD1 4.24Å; V78-I83 HydrophobicContact CG2-CG1 3.86Å; I83-V90 HydrophobicContact CD1-CG2 3.87Å; I83-V90 HydrophobicContact CG1-CG2 4.34Å; I83-V90 HydrophobicContact CG2-CG2 3.74Å
84S92.5Very high94.5Very high69 Ų6930.8 Ų30.848%0.48319%0.187SC..  trans-97.5-178.216670.80000110.3S86 G87S84-S86 PolarHBondContact O-N 3.05Å; S84-S86 PolarHBondContact OG-N 2.83Å; S84-S86 PolarHBondContact OG-OG 2.66Å; S84-G87 PolarHBondContact O-N 3.48Å; S84-G87 VanDerWaalsContact O-N 3.08Å
85N89.8Confident94.4Very high60 Ų6033.3 Ų33.332%0.32120%0.2SC..THydrogen-bonded Turntrans-66.5-1.9176.1-15825.5000114G53 C54 L56 G87G53-N85 PolarHBondContact N-O 2.96Å; C54-N85 PolarHBondContact N-OD1 2.69Å; C54-N85 VanDerWaalsContact N-OD1 3.1Å; C54-N85 PolarHBondContact O-ND2 3.33Å; C54-N85 VanDerWaalsContact O-ND2 3.14Å; C54-N85 PolarHBondContact O-OD1 3.27Å; C54-N85 VanDerWaalsContact O-OD1 3.08Å; L56-N85 HydrophobicContact CD1-CB 4.44Å; L56-N85 HydrophobicContact CD2-CB 4.27Å; N85-G87 PolarHBondContact O-N 2.05Å
86S90.6Very high94.2Very high91 Ų9138.4 Ų38.464%0.63623%0.233SC*.THydrogen-bonded Turntrans-74-6.8168.965.20000113.3G52 S84G52-S86 VanDerWaalsContact CA-O 3.23Å; G52-S86 WeakPolarHBondContact CA-O 3.46Å; S84-S86 PolarHBondContact O-N 3.05Å; S84-S86 PolarHBondContact OG-N 2.83Å; S84-S86 PolarHBondContact OG-OG 2.66Å
87G91.4Very high93.9Very high15 Ų1539.9 Ų39.916%0.15525%0.248CC..  trans78.9-176.1-175.700000112.5C50 P51 S84 N85C50-G87 WeakPolarHBondContact O-CA 3.36Å; P51-G87 WeakPolarHBondContact O-CA 3.48Å; S84-G87 PolarHBondContact O-N 3.48Å; S84-G87 VanDerWaalsContact O-N 3.08Å; N85-G87 PolarHBondContact O-N 2.05Å
88G92.7Very high93.6Very high14 Ų1446 Ų4614%0.14427%0.271CS..EExtended strand (participates in β ladder)trans148.2176.2179.200000114.6C50C50-G88 PolarHBondContact N-O 2.68Å; C50-G88 PolarHBondContact O-N 3.35Å
89P94.4Very high93Very high31 Ų3151.9 Ų51.920%0.20130%0.298CS..EExtended strand (participates in β ladder)trans-73.8128.9-178.629.6-33.9000111.1V48 L49 G126V48-P89 CarbonylContact O-C 3.56Å; V48-P89 WeakPolarHBondContact O-CA 3.26Å; L49-P89 HydrophobicContact CD1-CB 4.25Å; P89-G126 PolarHBondContact O-N 2.8Å
90V95.8Very high92.5Very high0 Ų058 Ų580%033%0.331CS..EExtended strand (participates in β ladder)trans-124135.4179.6178.80000108.7V48 I73 A77 V82 I83 V92 V123V48-V90 HydrophobicContact CG2-CB 3.88Å; V48-V90 HydrophobicContact CG2-CG1 4.45Å; V48-V90 WeakPolarHBondContact CG2-O 3.31Å; V48-V90 PolarHBondContact N-O 3.43Å; V48-V90 PolarHBondContact O-N 3.35Å; I73-V90 HydrophobicContact CG2-CG1 4.19Å; A77-V90 HydrophobicContact CB-CB 4.45Å; A77-V90 HydrophobicContact CB-CG1 3.94Å; A77-V90 HydrophobicContact CB-CG2 3.62Å; V82-V90 HydrophobicContact CG1-CG2 4.46Å; I83-V90 HydrophobicContact CD1-CG2 3.87Å; I83-V90 HydrophobicContact CG1-CG2 4.34Å; I83-V90 HydrophobicContact CG2-CG2 3.74Å; V90-V92 HydrophobicContact CG1-CG2 4.33Å; V90-V123 HydrophobicContact CG1-CB 3.81Å; V90-V123 HydrophobicContact CG1-CG1 3.82Å
91R96.2Very high92.3Very high31 Ų3154.1 Ų54.112%0.11732%0.316CS..EExtended strand (participates in β ladder)trans-100.4127170.5-177.5158.3-71.71686.1109.8A46 D47 Y93 V123 T124A46-R91 WeakPolarHBondContact O-CA 3.42Å; D47-R91 IonicContact OD1-CZ 3.06Å; D47-R91 IonicContact OD1-NE 2.66Å; D47-R91 PolarHBondContact OD1-NE 2.83Å; D47-R91 IonicContact OD1-NH2 2.71Å; D47-R91 PolarHBondContact OD1-NH2 3.01Å; D47-R91 IonicContact OD2-CZ 3.29Å; D47-R91 VanDerWaalsContact OD2-CZ 3.29Å; D47-R91 IonicContact OD2-NE 3.35Å; D47-R91 PolarHBondContact OD2-NE 2.76Å; D47-R91 IonicContact OD2-NH2 2.62Å; D47-R91 PolarHBondContact OD2-NH2 3.35Å; R91-Y93 WeakPolarHBondContact CD-OH 3.37Å; R91-Y93 HydrophobicContact CG-CD2 4.4Å; R91-Y93 HydrophobicContact CG-CE2 3.69Å; R91-V123 CarbonylContact O-C 3.56Å; R91-V123 VanDerWaalsContact O-CA 3.31Å; R91-V123 WeakPolarHBondContact O-CA 3.36Å; R91-T124 PolarHBondContact N-O 3.4Å; R91-T124 PolarHBondContact O-N 3.49Å
92V96.4Very high91.9Very high0 Ų055.1 Ų55.10%032%0.315CS..EExtended strand (participates in β ladder)trans-109.3133.7-176.8-172.70000109.5K45 A46 V48 I73 V90 F121 V123K45-V92 WeakPolarHBondContact CA-O 3.3Å; A46-V92 PolarHBondContact N-O 3.37Å; A46-V92 PolarHBondContact O-N 2.98Å; V48-V92 HydrophobicContact CG1-CG2 4.35Å; V48-V92 HydrophobicContact CG2-CG2 3.93Å; I73-V92 HydrophobicContact CD1-CG2 4.23Å; I73-V92 HydrophobicContact CG1-CG2 4.43Å; I73-V92 HydrophobicContact CG2-CG2 3.59Å; V90-V92 HydrophobicContact CG1-CG2 4.33Å; V92-F121 HydrophobicContact CG1-CB 4.06Å; V92-F121 HydrophobicContact CG1-CD2 3.83Å; V92-F121 HydrophobicContact CG1-CG 4.24Å; V92-V123 HydrophobicContact CG2-CG1 4.35Å
93Y96.1Very high91.6Very high82 Ų8256.3 Ų56.332%0.32233%0.325SS..EExtended strand (participates in β ladder)trans-118.7118.6171.4-62.7-93.7000109.3K45 R91 F121 T122 T124K45-Y93 HydrophobicContact CD-CE1 4.01Å; K45-Y93 HydrophobicContact CG-CD1 4.25Å; K45-Y93 HydrophobicContact CG-CE1 4.02Å; R91-Y93 WeakPolarHBondContact CD-OH 3.37Å; R91-Y93 HydrophobicContact CG-CD2 4.4Å; R91-Y93 HydrophobicContact CG-CE2 3.69Å; Y93-F121 CarbonylContact O-C 3.56Å; Y93-F121 WeakPolarHBondContact O-CA 3.09Å; Y93-F121 WeakPolarHBondContact O-CB 3.44Å; Y93-T122 HydrophobicContact CD2-CG2 4.32Å; Y93-T122 HydrophobicContact CG-CG2 4.47Å; Y93-T122 PolarHBondContact N-O 2.83Å; Y93-T122 PolarHBondContact O-N 3.34Å; Y93-T124 HydrophobicContact CE2-CG2 4.17Å
94S92.7Very high91.6Very high47 Ų4757.7 Ų57.733%0.32934%0.335SS..EExtended strand (participates in β ladder)trans-73.9141174.8-58.90000109.9K43 E44K43-S94 PolarHBondContact O-OG 2.82Å; E44-S94 PolarHBondContact O-N 2.82Å
95L93.7Very high91.6Very high53 Ų5359.3 Ų59.328%0.27734%0.338SS..EExtended strand (participates in β ladder)trans-134.6156.9-177-63.4174.1000109.6V66 S120 T122V66-L95 HydrophobicContact CG1-CD1 3.96Å; V66-L95 HydrophobicContact CG2-CD1 3.99Å; L95-S120 PolarHBondContact N-O 3.1Å; L95-S120 PolarHBondContact O-N 3.29Å; L95-T122 HydrophobicContact CD1-CG2 4.04Å
96P91.6Very high91.7Very high108 Ų10857.6 Ų57.670%0.70133%0.332SS*.EExtended strand (participates in β ladder)trans-56.4154.6168.5-24.134.4000112.2S120P96-S120 WeakPolarHBondContact O-CB 3.22Å; P96-S120 PolarHBondContact O-OG 3.18Å
97G88.9Confident91.7Very high30 Ų3058 Ų5831%0.30933%0.327SS..EExtended strand (participates in β ladder)trans-59.1159.6172.800000113W117 S118G97-W117 CarbonylContact C-O 3.52Å; G97-W117 WeakPolarHBondContact CA-O 3.49Å; G97-S118 VanDerWaalsContact CA-C 3.43Å; G97-S118 WeakPolarHBondContact CA-O 3.2Å; G97-S118 PolarHBondContact N-O 3.33Å
98R89.9Confident91.4Very high129 Ų12960.2 Ų60.249%0.48735%0.349SS..EExtended strand (participates in β ladder)trans-136.2159.3179.4-62.8-177.3177.6-167.8-2.2110.6Y101 W117R98-Y101 HydrophobicContact CB-CE1 4.42Å; R98-Y101 HydrophobicContact CB-CE2 4.37Å; R98-Y101 PolarHBondContact N-OH 3.42Å; R98-Y101 VanDerWaalsContact O-CE2 3.28Å; R98-Y101 WeakPolarHBondContact O-CE2 3.29Å; R98-W117 PolarHBondContact N-O 3.31Å; R98-W117 PolarHBondContact O-N 3.1Å
99E83.9Confident91.3Very high134 Ų13459.8 Ų59.863%0.62634%0.344SS*.EExtended strand (participates in β ladder)trans-92.4146.9162.8-59.1-172.5161.900108.6S115 R116E99-S115 CarbonylContact C-O 2.9Å; E99-S115 WeakPolarHBondContact CA-O 3.31Å; E99-R116 HydrophobicContact CG-CG 4.1Å
100N85.8Confident91.2Very high132 Ų13263.4 Ų63.471%0.70636%0.358SS*.EExtended strand (participates in β ladder)trans59.779.6175-56.2-39.4000115.5S115N100-S115 PolarHBondContact N-O 3.02Å
101Y91.4Very high91Very high12 Ų1263.4 Ų63.45%0.04736%0.358CS..EExtended strand (participates in β ladder)trans-80.4120.4165.6-63-91.7000109.7A68 R98 M113 L114 W117 S120A68-Y101 HydrophobicContact CB-CD1 4.12Å; A68-Y101 HydrophobicContact CB-CD2 4.25Å; A68-Y101 HydrophobicContact CB-CE1 3.8Å; A68-Y101 HydrophobicContact CB-CE2 3.94Å; A68-Y101 HydrophobicContact CB-CG 4.32Å; A68-Y101 VanDerWaalsContact N-CE1 3.28Å; R98-Y101 HydrophobicContact CB-CE1 4.42Å; R98-Y101 HydrophobicContact CB-CE2 4.37Å; R98-Y101 PolarHBondContact N-OH 3.42Å; R98-Y101 VanDerWaalsContact O-CE2 3.28Å; R98-Y101 WeakPolarHBondContact O-CE2 3.29Å; Y101-M113 VanDerWaalsContact O-CA 3.3Å; Y101-M113 WeakPolarHBondContact O-CA 3.15Å; Y101-L114 HydrophobicContact CD2-CB 3.94Å; Y101-L114 HydrophobicContact CD2-CD2 4.3Å; Y101-L114 HydrophobicContact CD2-CG 4.31Å; Y101-L114 WeakPolarHBondContact CD2-O 3.15Å; Y101-L114 HydrophobicContact CG-CB 4.33Å; Y101-L114 PolarHBondContact N-O 3.47Å; Y101-L114 PolarHBondContact O-N 2.99Å; Y101-W117 HydrophobicContact CE2-CB 3.75Å; Y101-S120 PolarHBondContact OH-OG 3.15Å
102S86.4Confident90.7Very high68 Ų6866.2 Ų66.248%0.47637%0.372SS..PPolyproline II helixtrans-80.7144.6-179.649.40000112.8G63G63-S102 CarbonylContact C-O 3.53Å; G63-S102 WeakPolarHBondContact CA-O 3.29Å
103S89.3Confident90.2Very high54 Ų5473.6 Ų73.638%0.37841%0.409SS..PPolyproline II helixtrans-89.4132.7174173.30000110.3Q110 S111S103-Q110 PolarHBondContact OG-NE2 3.48Å; S103-S111 VanDerWaalsContact CB-O 3.29Å; S103-S111 WeakPolarHBondContact CB-O 3.17Å; S103-S111 PolarHBondContact OG-O 3.24Å
104V94.4Very high89.6Confident52 Ų5271.5 Ų71.532%0.31540%0.403SS..  trans-144.4144.2176176.20000108.9N64 H79 A106 S111N64-V104 HydrophobicContact CB-CB 4.35Å; N64-V104 HydrophobicContact CB-CG2 3.99Å; H79-V104 PolarHBondContact NE2-O 3.36Å; H79-V104 VanDerWaalsContact NE2-O 3.13Å; V104-A106 HydrophobicContact CG1-CB 4.49Å; V104-S111 PolarHBondContact N-OG 3.17Å; V104-S111 PolarHBondContact O-N 3.4Å; V104-S111 PolarHBondContact O-OG 3.28Å
105D92.9Very high89Confident102 Ų10273.5 Ų73.555%0.54542%0.417SS..EExtended strand (participates in β ladder)trans-85.8120.1163.8-160.4-33.4000109.1
106A90.6Very high88.7Confident24 Ų2479.2 Ų79.220%0.19844%0.435CS..EExtended strand (participates in β ladder)trans-146.2136.2173.800000111.6H79 V104 G108 I109H79-A106 WeakPolarHBondContact O-CB 3.33Å; V104-A106 HydrophobicContact CG1-CB 4.49Å; A106-G108 PolarHBondContact O-N 2.88Å; A106-I109 PolarHBondContact N-O 2.82Å; A106-I109 PolarHBondContact O-N 3.41Å; A106-I109 VanDerWaalsContact O-N 3.1Å
107N92.1Very high88.6Confident101 Ų10178.4 Ų78.454%0.5442%0.418SS..THydrogen-bonded Turntrans53.335.7175.4-59.3-67.3000113.8V78 H79 G81V78-N107 WeakPolarHBondContact O-CB 3.43Å; H79-N107 PolarHBondContact O-ND2 3.38Å; G81-N107 PolarHBondContact N-ND2 2.73Å
108G84.4Confident88.5Confident60 Ų6082.1 Ų82.162%0.61944%0.439SS*.THydrogen-bonded Turntrans79.316.8177.700000114.5A106A106-G108 PolarHBondContact O-N 2.88Å
109I89.8Confident88.6Confident6 Ų677.6 Ų77.63%0.03143%0.429CS..EExtended strand (participates in β ladder)trans-125.5124.5174.1-63.2174.2000108.1L56 F59 V61 G75 V78 H79 A106L56-I109 HydrophobicContact CD2-CD1 4.26Å; L56-I109 HydrophobicContact CD2-CG1 4.47Å; F59-I109 HydrophobicContact CD2-CD1 3.69Å; F59-I109 HydrophobicContact CD2-CG1 4.45Å; F59-I109 HydrophobicContact CE2-CD1 4.12Å; V61-I109 HydrophobicContact CB-CG2 4.27Å; V61-I109 HydrophobicContact CG2-CG2 3.97Å; G75-I109 VanDerWaalsContact O-CD1 3.31Å; G75-I109 WeakPolarHBondContact O-CD1 3.09Å; V78-I109 HydrophobicContact CB-CD1 3.65Å; V78-I109 HydrophobicContact CG1-CD1 3.6Å; V78-I109 HydrophobicContact CG1-CG1 4.33Å; H79-I109 HydrophobicContact CB-CB 4.18Å; H79-I109 HydrophobicContact CB-CD1 4.2Å; H79-I109 HydrophobicContact CB-CG2 4.27Å; H79-I109 PolarHBondContact CD2-O 3.29Å; H79-I109 VanDerWaalsContact CD2-O 3.23Å; A106-I109 PolarHBondContact N-O 2.82Å; A106-I109 PolarHBondContact O-N 3.41Å; A106-I109 VanDerWaalsContact O-N 3.1Å
110Q91.9Very high89.1Confident106 Ų10671.3 Ų71.350%0.49540%0.401SS..EExtended strand (participates in β ladder)trans-84.4109.7167.4-17969.626.500109.1S103S103-Q110 PolarHBondContact OG-NE2 3.48Å
111S92.8Very high89.7Confident0 Ų065.1 Ų65.10%037%0.367CS..PPolyproline II helixtrans-74.6154.817178.60000111.3V61 G63 S103 V104V61-S111 CarbonylContact O-C 3.6Å; V61-S111 VanDerWaalsContact O-CA 3.23Å; V61-S111 WeakPolarHBondContact O-CA 3.18Å; V61-S111 WeakPolarHBondContact O-CB 3.36Å; G63-S111 WeakPolarHBondContact O-CB 3.31Å; G63-S111 PolarHBondContact O-OG 3.1Å; S103-S111 VanDerWaalsContact CB-O 3.29Å; S103-S111 WeakPolarHBondContact CB-O 3.17Å; S103-S111 PolarHBondContact OG-O 3.24Å; V104-S111 PolarHBondContact N-OG 3.17Å; V104-S111 PolarHBondContact O-N 3.4Å; V104-S111 PolarHBondContact O-OG 3.28Å
112Q90.6Very high90Very high90 Ų9065.9 Ų65.942%0.42137%0.373SS..BIsolated β-bridgetrans-103.9153.4-177.7-66.2176.835.400111.5V61 Y62 G63V61-Q112 PolarHBondContact O-N 3.42Å; Y62-Q112 WeakPolarHBondContact CA-O 3.45Å; Y62-Q112 HydrophobicContact CD1-CB 3.52Å; Y62-Q112 HydrophobicContact CE1-CB 3.54Å; Y62-Q112 HydrophobicContact CE1-CG 4.28Å; Y62-Q112 HydrophobicContact CG-CB 4.44Å; Y62-Q112 PolarHBondContact OH-OE1 3.46Å; G63-Q112 PolarHBondContact N-O 3.04Å
113M84.6Confident90.5Very high155 Ų15562.8 Ų62.876%0.76435%0.351SS*.PPolyproline II helixtrans-74.9145.717265.5179.1179.800110.9Y101Y101-M113 VanDerWaalsContact O-CA 3.3Å; Y101-M113 WeakPolarHBondContact O-CA 3.15Å
114L83.7Confident90.8Very high39 Ų3962.9 Ų62.920%0.20435%0.35CS..EExtended strand (participates in β ladder)trans-143.7126172.4-173.164.5000109.3Y62 A68 V70 Y101 W117Y62-L114 HydrophobicContact CD1-CB 3.99Å; Y62-L114 HydrophobicContact CD1-CD2 4.49Å; Y62-L114 HydrophobicContact CG-CB 4.37Å; Y62-L114 HydrophobicContact CG-CD2 4.3Å; A68-L114 HydrophobicContact CB-CD2 3.6Å; V70-L114 HydrophobicContact CG1-CD2 4.29Å; Y101-L114 HydrophobicContact CD2-CB 3.94Å; Y101-L114 HydrophobicContact CD2-CD2 4.3Å; Y101-L114 HydrophobicContact CD2-CG 4.31Å; Y101-L114 WeakPolarHBondContact CD2-O 3.15Å; Y101-L114 HydrophobicContact CG-CB 4.33Å; Y101-L114 PolarHBondContact N-O 3.47Å; Y101-L114 PolarHBondContact O-N 2.99Å; L114-W117 HydrophobicContact CD2-CB 3.82Å; L114-W117 HydrophobicContact CD2-CD2 4.24Å; L114-W117 HydrophobicContact CD2-CE3 4.08Å; L114-W117 HydrophobicContact CD2-CG 4.16Å
115S79.8Confident90.6Very high89 Ų8968.6 Ų68.662%0.62237%0.37SS*.EExtended strand (participates in β ladder)trans-69.3-40.3-172.454.90000113E99 N100E99-S115 CarbonylContact C-O 2.9Å; E99-S115 WeakPolarHBondContact CA-O 3.31Å; N100-S115 PolarHBondContact N-O 3.02Å
116R87.5Confident90.1Very high172 Ų17264.2 Ų64.265%0.64935%0.349SS*.EExtended strand (participates in β ladder)trans-158.3143.4179.1-174.4174.769.1-177.81.9111.1E99E99-R116 HydrophobicContact CG-CG 4.1Å
117W90Very high89.4Confident91 Ų9169.6 Ų69.635%0.34537%0.368SS..EExtended strand (participates in β ladder)trans-150.4148.6171.2-161.4-105.1000111.6A68 S69 V70 G97 R98 Y101 L114 A119A68-W117 HydrophobicContact CB-CB 3.99Å; A68-W117 HydrophobicContact CB-CG 4.06Å; S69-W117 PolarHBondContact OG-NE1 3.44Å; V70-W117 HydrophobicContact CB-CH2 4.29Å; V70-W117 HydrophobicContact CB-CZ2 3.7Å; V70-W117 HydrophobicContact CG1-CD2 4.37Å; V70-W117 HydrophobicContact CG1-CZ2 4.31Å; V70-W117 HydrophobicContact CG2-CH2 4.35Å; V70-W117 HydrophobicContact CG2-CZ2 4.11Å; G97-W117 CarbonylContact C-O 3.52Å; G97-W117 WeakPolarHBondContact CA-O 3.49Å; R98-W117 PolarHBondContact N-O 3.31Å; R98-W117 PolarHBondContact O-N 3.1Å; Y101-W117 HydrophobicContact CE2-CB 3.75Å; L114-W117 HydrophobicContact CD2-CB 3.82Å; L114-W117 HydrophobicContact CD2-CD2 4.24Å; L114-W117 HydrophobicContact CD2-CE3 4.08Å; L114-W117 HydrophobicContact CD2-CG 4.16Å; W117-A119 PolarHBondContact O-N 2.81Å
118S86.9Confident87.5Confident108 Ų10869.2 Ų69.276%0.75537%0.374SS*.EExtended strand (participates in β ladder)trans-75.2-17.8-168.354.90000115.3G97G97-S118 VanDerWaalsContact CA-C 3.43Å; G97-S118 WeakPolarHBondContact CA-O 3.2Å; G97-S118 PolarHBondContact N-O 3.33Å
119A90.9Very high85.8Confident34 Ų3470.4 Ų70.428%0.28137%0.372SS..EExtended strand (participates in β ladder)trans-146.9152.9177.900000111.8S69 W117S69-A119 WeakPolarHBondContact CB-O 3.26Å; S69-A119 PolarHBondContact N-O 3.15Å; S69-A119 PolarHBondContact OG-O 3.12Å; W117-A119 PolarHBondContact O-N 2.81Å
120S96.4Very high83.2Confident3 Ų376.4 Ų76.42%0.02141%0.409CS..EExtended strand (participates in β ladder)trans-130.1173177.4-32.10000110.9V66 Y67 L95 P96 Y101V66-S120 VanDerWaalsContact CG1-CB 3.46Å; Y67-S120 CarbonylContact O-C 3.42Å; Y67-S120 VanDerWaalsContact O-CA 3.22Å; Y67-S120 WeakPolarHBondContact O-CA 3.43Å; Y67-S120 WeakPolarHBondContact O-CB 3.4Å; L95-S120 PolarHBondContact N-O 3.1Å; L95-S120 PolarHBondContact O-N 3.29Å; P96-S120 WeakPolarHBondContact O-CB 3.22Å; P96-S120 PolarHBondContact O-OG 3.18Å; Y101-S120 PolarHBondContact OH-OG 3.15Å
121F97.3Very high80.5Confident1 Ų179.9 Ų79.90%0.00443%0.425CS..EExtended strand (participates in β ladder)trans-147.5163.9166.670-78.8000111.5Y67 A68 I73 A76 V92 Y93 V123Y67-F121 HydrophobicContact CD2-CE2 4.46Å; Y67-F121 PolarHBondContact N-O 2.88Å; Y67-F121 WeakPolarHBondContact O-CD1 3.48Å; Y67-F121 PolarHBondContact O-N 3.29Å; A68-F121 WeakPolarHBondContact O-CE1 3.44Å; I73-F121 HydrophobicContact CB-CE2 4.44Å; I73-F121 HydrophobicContact CG1-CE2 3.97Å; I73-F121 HydrophobicContact CG1-CZ 4.11Å; A76-F121 HydrophobicContact CB-CE2 3.82Å; A76-F121 HydrophobicContact CB-CZ 3.82Å; V92-F121 HydrophobicContact CG1-CB 4.06Å; V92-F121 HydrophobicContact CG1-CD2 3.83Å; V92-F121 HydrophobicContact CG1-CG 4.24Å; Y93-F121 CarbonylContact O-C 3.56Å; Y93-F121 WeakPolarHBondContact O-CA 3.09Å; Y93-F121 WeakPolarHBondContact O-CB 3.44Å; F121-V123 HydrophobicContact CD2-CG1 3.77Å; F121-V123 HydrophobicContact CE2-CG1 3.63Å
122T97.1Very high77.6Confident28 Ų2889.1 Ų89.117%0.17247%0.469CS..EExtended strand (participates in β ladder)trans-128.9157.1166.6-174.70000109.8I65 Y93 L95I65-T122 PolarHBondContact O-OG1 3.24Å; I65-T122 VanDerWaalsContact O-OG1 3.13Å; Y93-T122 HydrophobicContact CD2-CG2 4.32Å; Y93-T122 HydrophobicContact CG-CG2 4.47Å; Y93-T122 PolarHBondContact N-O 2.83Å; Y93-T122 PolarHBondContact O-N 3.34Å; L95-T122 HydrophobicContact CD1-CG2 4.04Å
123V96.6Very high74.9Confident3 Ų389.6 Ų89.62%0.01849%0.488CS..EExtended strand (participates in β ladder)trans-123.5139.8-175.9-680000110.8Y67 I73 A76 A77 R80 V82 V90 R91 V92 F121Y67-V123 HydrophobicContact CE2-CG2 4.19Å; I73-V123 HydrophobicContact CG2-CG1 4.25Å; A76-V123 HydrophobicContact CB-CG2 4.48Å; A77-V123 HydrophobicContact CB-CG2 4.31Å; R80-V123 HydrophobicContact CB-CG2 4.04Å; R80-V123 HydrophobicContact CG-CG2 4.36Å; V82-V123 HydrophobicContact CG2-CG2 4.21Å; V90-V123 HydrophobicContact CG1-CB 3.81Å; V90-V123 HydrophobicContact CG1-CG1 3.82Å; R91-V123 CarbonylContact O-C 3.56Å; R91-V123 VanDerWaalsContact O-CA 3.31Å; R91-V123 WeakPolarHBondContact O-CA 3.36Å; V92-V123 HydrophobicContact CG2-CG1 4.35Å; F121-V123 HydrophobicContact CD2-CG1 3.77Å; F121-V123 HydrophobicContact CE2-CG1 3.63Å
124T95.9Very high72.6Confident56 Ų5688.9 Ų88.934%0.34449%0.492SS..EExtended strand (participates in β ladder)trans-136.1171.3172.368.50000110.5V82 R91 Y93 G126V82-T124 VanDerWaalsContact CG1-C 3.41Å; V82-T124 WeakPolarHBondContact CG1-O 3.33Å; R91-T124 PolarHBondContact N-O 3.4Å; R91-T124 PolarHBondContact O-N 3.49Å; Y93-T124 HydrophobicContact CE2-CG2 4.17Å; T124-G126 PolarHBondContact O-N 3.45Å
125K90.9Very high70.2Confident172 Ų17290.5 Ų90.575%0.74852%0.519SS*.EExtended strand (participates in β ladder)trans-64.4125.6-178.3-162170.5-174.8174.50110.6V82V82-K125 HydrophobicContact CG1-CB 4.36Å
126G82.1Confident67.8Low10 Ų1095.3 Ų95.310%0.10353%0.531CS..PPolyproline II helixtrans-75.8154.417600000112.1P89 T124P89-G126 PolarHBondContact O-N 2.8Å; T124-G126 PolarHBondContact O-N 3.45Å
127K75.7Confident65.1Low138 Ų13892 Ų9260%0.654%0.541SS*.PPolyproline II helixtrans-74126.1172.5-71.5-176.9177.5179.40108.8
128S53.6Low62.2Low93 Ų9393.8 Ų93.865%0.6556%0.562SS**  trans-88.7105.5174.3178.30000109.5
129S48.3Very low59.5Low84 Ų8493.9 Ų93.959%0.58756%0.563SS**  trans-89.6107.5160.2570000107.6Q131S129-Q131 PolarHBondContact O-N 2.88Å; S129-Q131 VanDerWaalsContact O-N 3.13Å
130T35Very low56.6Low132 Ų13298.1 Ų98.181%0.8159%0.585SS**  trans-61.9110.9169.837.90000109.2
131Q35.9Very low53.5Low179 Ų179102.1 Ų102.184%0.83662%0.619SS**  trans-125.9113.3158.4-77.6-169.7-16.100107.4S129 A133S129-Q131 PolarHBondContact O-N 2.88Å; S129-Q131 VanDerWaalsContact O-N 3.13Å; Q131-A133 PolarHBondContact O-N 2.8Å
132E31.6Very low50.3Low195 Ų195110.8 Ų110.891%0.91166%0.659SS**  trans-63.7119.9170.8-75.4174.3139.700109.1
133A33.5Very low47.2Very low100 Ų100114.8 Ų114.883%0.82669%0.685SS**  trans-90.299.216600000108.2Q131 G135Q131-A133 PolarHBondContact O-N 2.8Å; A133-G135 PolarHBondContact O-N 3.38Å
134T35.4Very low44.2Very low139 Ų139120.7 Ų120.785%0.85372%0.723SS**  trans-68.395.4164.345.80000109
135G32.9Very low41.5Very low74 Ų74124.8 Ų124.876%0.76375%0.749SS**  trans-85.3111.116700000110.3A133 A137A133-G135 PolarHBondContact O-N 3.38Å; G135-A137 PolarHBondContact O-N 2.86Å
136Q30.5Very low38.7Very low189 Ų189120 Ų12088%0.88375%0.748SS**  trans-65.9128164.5-86.8179.1-34.500109.6V138Q136-V138 PolarHBondContact O-N 3.46Å
137A30.5Very low36.8Very low104 Ų104129.5 Ų129.586%0.8679%0.786SS**  trans-72.3114.8171.100000109.9G135G135-A137 PolarHBondContact O-N 2.86Å
138V29Very low34.8Very low128 Ų128134.3 Ų134.378%0.77680%0.801SS**  trans-91.999.9162.9-178.80000107.5Q136 T140Q136-V138 PolarHBondContact O-N 3.46Å; V138-T140 HydrophobicContact CG1-CG2 4.4Å
139S31.4Very low34.1Very low110 Ų110137.7 Ų137.777%0.76981%0.81SS**  trans-74.2118.7165.8179.10000108.9
140T30Very low33.6Very low122 Ų122143.5 Ų143.575%0.74883%0.825SS**  trans-104.699.9162.443.10000108.8V138V138-T140 HydrophobicContact CG1-CG2 4.4Å
141A29.6Very low33.6Very low88 Ų88146.8 Ų146.873%0.72783%0.828SS**PPolyproline II helixtrans-58.1136.8167.900000110.5
142H30.6Very low33.6Very low183 Ų183144.3 Ų144.385%0.84783%0.826SS**PPolyproline II helixtrans-62.7134.4169.3-90.340.2000111.1
143P32.6Very low34.3Very low111 Ų111140.7 Ų140.772%0.72182%0.819SS**PPolyproline II helixtrans-74.4155.1163.9-724000110.8
144P33.4Very low34.9Very low127 Ų127144.6 Ų144.683%0.82582%0.82SS**PPolyproline II helixtrans-69.5144.5-174.929-32.6000111.9G146P144-G146 PolarHBondContact O-N 3.01Å
145T39.6Very low35.7Very low143 Ų143145.8 Ų145.888%0.87781%0.813SS**  trans-62.894.8178.932.90000112.2K147T145-K147 PolarHBondContact O-N 3.36Å
146G32.5Very low37.1Very low71 Ų71149 Ų14973%0.73281%0.807SS**  trans-68.3114.615600000109.7P144 R148P144-G146 PolarHBondContact O-N 3.01Å; G146-R148 PolarHBondContact O-N 2.88Å
147K41.5Very low39Very low209 Ų209143.6 Ų143.691%0.90979%0.786SS**  trans-5698.7173.9-73.2178.5178.2175.70110.3T145 L149T145-K147 PolarHBondContact O-N 3.36Å; K147-L149 PolarHBondContact O-N 2.74Å
148R33.4Very low41.2Very low240 Ų240139.9 Ų139.991%0.90676%0.758SS**  trans-77.1114.8163.4-162.5173.8-176.6178.11.4107.4G146 K150G146-R148 PolarHBondContact O-N 2.88Å; R148-K150 PolarHBondContact O-N 2.86Å
149L38.1Very low43.9Very low163 Ų163136.4 Ų136.485%0.85374%0.735SS**  trans-48.3124.7172.6-89.9114.4000109.8K147 K151K147-L149 PolarHBondContact O-N 2.74Å; L149-K151 PolarHBondContact O-N 2.88Å
150K37.8Very low46.3Very low207 Ų207137 Ų13790%0.972%0.724SS**  trans-55.5103.9164.7-93.9-179.9172.6177.30107.6R148 T152R148-K150 PolarHBondContact O-N 2.86Å; K150-T152 PolarHBondContact O-N 3.2Å
151K35.2Very low48.9Very low201 Ų201138 Ų13887%0.87473%0.725SS**PPolyproline II helixtrans-68.7122.8153.9-92.6-171.8172.8-171.50106.6L149L149-K151 PolarHBondContact O-N 2.88Å
152T37.7Very low51.8Low127 Ų127133.8 Ų133.878%0.77969%0.69SS**PPolyproline II helixtrans-49.3134.7167.7-11.10000108.5K150 E154K150-T152 PolarHBondContact O-N 3.2Å; T152-E154 PolarHBondContact O-N 3.47Å; T152-E154 VanDerWaalsContact O-N 3.08Å
153P46.4Very low54.5Low118 Ų118129.6 Ų129.677%0.76667%0.669SS**PPolyproline II helixtrans-65.5116179.7-7.521.6000108K155P153-K155 PolarHBondContact O-N 2.82Å
154E44.7Very low57.5Low182 Ų182124.3 Ų124.385%0.8564%0.635SS**  trans-61.4109164-77.5177173.800107.2T152 K156T152-E154 PolarHBondContact O-N 3.47Å; T152-E154 VanDerWaalsContact O-N 3.08Å; E154-K156 PolarHBondContact O-N 2.91Å
155K52.5Low60.4Low164 Ų164118.3 Ų118.371%0.71360%0.596SS**  trans-57.7104.9172.5-82.4176.9170.4-1770108P153 T157 T199P153-K155 PolarHBondContact O-N 2.82Å; K155-T157 PolarHBondContact O-N 3Å; K155-T199 HydrophobicContact CB-CG2 4.19Å; K155-T199 HydrophobicContact CD-CG2 4.01Å; K155-T199 HydrophobicContact CG-CG2 4Å
156K61.8Low63.2Low143 Ų143111.5 Ų111.562%0.62255%0.554SS**  trans-67.3125.6167.6-72.9-168.7174.7-1670108.1E154 G158 G198 T199E154-K156 PolarHBondContact O-N 2.91Å; K156-G158 PolarHBondContact O-N 3.28Å; K156-G198 WeakPolarHBondContact O-CA 3.21Å; K156-T199 PolarHBondContact O-N 3.28Å
157T70Confident66.4Low75 Ų75108.1 Ų108.146%0.4652%0.519SS..  trans-63-30.3179.751.10000111.9K155 G198 T199 E200 G201K155-T157 PolarHBondContact O-N 3Å; T157-G198 CarbonylContact O-C 3.29Å; T157-T199 PolarHBondContact O-N 3.27Å; T157-E200 CarbonylContact O-C 3.55Å; T157-E200 VanDerWaalsContact O-CA 3.29Å; T157-E200 WeakPolarHBondContact O-CA 3.32Å; T157-E200 WeakPolarHBondContact O-CB 3.48Å; T157-E200 PolarHBondContact O-N 3.16Å; T157-G201 PolarHBondContact O-N 3.24Å
158G78.4Confident69.1Low26 Ų2698.2 Ų98.227%0.26848%0.476SS..  trans79-175.4-177.500000113K156 K160 G196K156-G158 PolarHBondContact O-N 3.28Å; G158-K160 PolarHBondContact O-N 3.01Å; G158-G196 CarbonylContact C-O 3.5Å; G158-G196 WeakPolarHBondContact CA-O 3.4Å
159N85.4Confident72.1Confident55 Ų5586.8 Ų86.829%0.29443%0.433SS..  trans-78.6101.8177.9-179.48.8000110.5D161 C162 G196 G201N159-D161 PolarHBondContact O-N 3.35Å; N159-D161 PolarHBondContact OD1-N 3.47Å; N159-D161 VanDerWaalsContact OD1-N 3.16Å; N159-C162 HydrophobicContact CB-CB 4.37Å; N159-C162 WeakPolarHBondContact ND2-CB 3.49Å; N159-C162 PolarHBondContact O-N 3.21Å; N159-G196 PolarHBondContact N-O 3.3Å; N159-G201 WeakPolarHBondContact O-CA 3.22Å
160K81.5Confident74.9Confident121 Ų12179 Ų7953%0.52639%0.393SS..THydrogen-bonded Turntrans-66.6-22-177.1-62.7-173.1177.4-176.10113.8G158 C162 E200G158-K160 PolarHBondContact O-N 3.01Å; K160-C162 VanDerWaalsContact C-N 3.27Å; K160-E200 HydrophobicContact CG-CB 3.94Å
161D85.3Confident77.5Confident143 Ų14369.4 Ų69.477%0.76535%0.351SS*.THydrogen-bonded Turntrans-82.2-10-179.3-53.9-31.9000111.8N159N159-D161 PolarHBondContact O-N 3.35Å; N159-D161 PolarHBondContact OD1-N 3.47Å; N159-D161 VanDerWaalsContact OD1-N 3.16Å
162C89.1Confident80.1Confident0 Ų059.8 Ų59.80%031%0.309CS..  trans-116.488.2177.5-169.50000110.6N159 K160 G201 P202 C351N159-C162 HydrophobicContact CB-CB 4.37Å; N159-C162 WeakPolarHBondContact ND2-CB 3.49Å; N159-C162 PolarHBondContact O-N 3.21Å; K160-C162 VanDerWaalsContact C-N 3.27Å; C162-G201 CarbonylContact O-C 2.96Å; C162-P202 WeakPolarHBondContact O-CD 3.41Å; C162-P202 VanDerWaalsContact O-N 3.09Å; C162-C351 HydrophobicContact CB-CB 3.63Å; C162-C351 WeakPolarHBondContact CB-SG 3.11Å; C162-C351 VanDerWaalsContact SG-CA 3.58Å; C162-C351 WeakPolarHBondContact SG-CB 3.46Å; C162-C351 CovalentContact SG-SG 2.03Å; C162-C351 PolarHBondContact SG-SG 3.33Å
163K88.8Confident82.5Confident95 Ų9553.8 Ų53.841%0.41327%0.272SS..  trans-104.599.4176.1-65.8-173.5176.6-174.40110.2I266 P267K163-I266 HydrophobicContact CB-CD1 4.05Å; K163-I266 HydrophobicContact CD-CD1 4.34Å; K163-P267 WeakPolarHBondContact O-CD 3.41Å
164A93.7Very high84.1Confident1 Ų151.6 Ų51.61%0.00825%0.251CS..  trans-146.6151174.700000110.3I166 P202 H203 R263 I266 V269A164-I166 HydrophobicContact CB-CD1 4.08Å; A164-I166 HydrophobicContact CB-CG1 3.81Å; A164-P202 WeakPolarHBondContact O-CA 3.4Å; A164-P202 WeakPolarHBondContact O-CB 3.39Å; A164-H203 PolarHBondContact O-N 2.91Å; A164-R263 PolarHBondContact O-NH2 3.37Å; A164-R263 VanDerWaalsContact O-NH2 3.15Å; A164-I266 VanDerWaalsContact CA-CG2 3.47Å; A164-V269 HydrophobicContact CB-CG2 4.24Å
165D96.1Very high85.7Confident0 Ų048 Ų480%024%0.238CC..EExtended strand (participates in β ladder)trans-106.5108.6170.6-73.5-8.5000107.9L219 F256 V262 R263 I266 P267 V269D165-L219 HydrophobicContact CB-CD1 3.8Å; D165-L219 HydrophobicContact CB-CD2 4.16Å; D165-F256 HydrophobicContact CB-CE1 4.38Å; D165-F256 WeakPolarHBondContact O-CE1 3.39Å; D165-V262 HydrophobicContact CB-CG2 4.43Å; D165-V262 WeakPolarHBondContact OD2-CA 3.46Å; D165-V262 WeakPolarHBondContact OD2-CG2 3.21Å; D165-R263 IonicContact OD1-CZ 2.76Å; D165-R263 IonicContact OD1-NE 2.77Å; D165-R263 PolarHBondContact OD1-NE 3.29Å; D165-R263 IonicContact OD1-NH2 3.7Å; D165-R263 PolarHBondContact OD1-NH2 2.89Å; D165-R263 PolarHBondContact OD2-N 2.71Å; D165-R263 IonicContact OD2-NE 3.22Å; D165-I266 HydrophobicContact CB-CG2 4.39Å; D165-P267 PolarHBondContact N-O 2.85Å; D165-V269 PolarHBondContact O-N 2.8Å
166I97.9Very high87.2Confident0 Ų040.5 Ų40.50%021%0.205CC..EExtended strand (participates in β ladder)trans-114.4121.3-163.6-52.3170.4000110.4A164 F168 L195 P202 H203 V204 G205 V269 V271 L350A164-I166 HydrophobicContact CB-CD1 4.08Å; A164-I166 HydrophobicContact CB-CG1 3.81Å; I166-F168 HydrophobicContact CG2-CD1 4.47Å; I166-F168 HydrophobicContact CG2-CE1 4.19Å; I166-F168 HydrophobicContact CG2-CE2 4.31Å; I166-F168 HydrophobicContact CG2-CZ 4.11Å; I166-L195 HydrophobicContact CD1-CD1 3.78Å; I166-L195 HydrophobicContact CD1-CD2 3.84Å; I166-P202 HydrophobicContact CD1-CB 4.25Å; I166-H203 PolarHBondContact N-O 3.04Å; I166-V204 HydrophobicContact CB-CG1 4.16Å; I166-V204 HydrophobicContact CD1-CG1 4.48Å; I166-V204 CarbonylContact O-C 3.48Å; I166-V204 WeakPolarHBondContact O-CA 3.42Å; I166-G205 PolarHBondContact O-N 3.13Å; I166-V269 CarbonylContact C-O 3.56Å; I166-V269 VanDerWaalsContact CA-O 3.31Å; I166-V269 WeakPolarHBondContact CA-O 3.39Å; I166-V269 HydrophobicContact CG1-CB 4.25Å; I166-V271 HydrophobicContact CG2-CG2 3.86Å; I166-L350 HydrophobicContact CD1-CB 4.46Å; I166-L350 HydrophobicContact CD1-CD1 4.48Å
167A98.4Very high88.3Confident0 Ų034.7 Ų34.70%019%0.186CC..EExtended strand (participates in β ladder)trans-96118.6164.700000109.1T251 F255 F256 V269 V270 V271A167-T251 HydrophobicContact CB-CG2 3.72Å; A167-F255 HydrophobicContact CB-CD1 3.78Å; A167-F255 HydrophobicContact CB-CE1 3.59Å; A167-F255 HydrophobicContact CB-CE2 4.4Å; A167-F255 HydrophobicContact CB-CG 4.28Å; A167-F255 HydrophobicContact CB-CZ 3.93Å; A167-F256 HydrophobicContact CB-CE2 4.36Å; A167-F256 HydrophobicContact CB-CZ 3.8Å; A167-V269 PolarHBondContact N-O 3.26Å; A167-V270 HydrophobicContact CB-CG2 4.18Å; A167-V270 CarbonylContact O-C 3.6Å; A167-V270 WeakPolarHBondContact O-CA 3.45Å; A167-V271 PolarHBondContact O-N 2.79Å
168F98.6Very high89.1Confident1 Ų135.5 Ų35.50%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-82.8117.8166.3-69.2-66.7000108.8I166 V188 V191 L195 V204 G205 L206 V207 V271 F273I166-F168 HydrophobicContact CG2-CD1 4.47Å; I166-F168 HydrophobicContact CG2-CE1 4.19Å; I166-F168 HydrophobicContact CG2-CE2 4.31Å; I166-F168 HydrophobicContact CG2-CZ 4.11Å; F168-V188 HydrophobicContact CB-CG1 3.88Å; F168-V188 HydrophobicContact CD1-CG1 3.92Å; F168-V188 HydrophobicContact CD2-CG1 3.63Å; F168-V188 HydrophobicContact CE1-CG1 4.36Å; F168-V188 HydrophobicContact CE2-CG1 4.09Å; F168-V188 HydrophobicContact CG-CG1 3.52Å; F168-V188 HydrophobicContact CZ-CG1 4.43Å; F168-V191 HydrophobicContact CE1-CG1 3.98Å; F168-V191 HydrophobicContact CZ-CB 4.34Å; F168-V191 HydrophobicContact CZ-CG1 3.72Å; F168-L195 HydrophobicContact CE2-CD1 4.26Å; F168-L195 HydrophobicContact CZ-CD1 3.82Å; F168-V204 HydrophobicContact CD2-CB 4.44Å; F168-V204 HydrophobicContact CE2-CB 4.14Å; F168-V204 HydrophobicContact CE2-CG1 4.12Å; F168-G205 PolarHBondContact N-O 2.98Å; F168-L206 HydrophobicContact CB-CD1 3.61Å; F168-L206 CarbonylContact O-C 3.55Å; F168-L206 WeakPolarHBondContact O-CA 3.21Å; F168-V207 PolarHBondContact O-N 3.14Å; F168-V271 HydrophobicContact CD1-CB 3.85Å; F168-V271 HydrophobicContact CD1-CG1 4.3Å; F168-V271 HydrophobicContact CD1-CG2 4.29Å; F168-V271 HydrophobicContact CE1-CB 4.14Å; F168-V271 HydrophobicContact CE1-CG1 4.42Å; F168-V271 HydrophobicContact CE1-CG2 4.16Å; F168-F273 AromaticContact CD1-CE2 3.95Å; F168-F273 HydrophobicContact CD1-CE2 3.95Å
169L97.8Very high89.6Confident1 Ų143.2 Ų43.21%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-101.8106.7174.9-169.6167.8000108V207 A209 T244 A247 L248 V270 V271 V272 F273L169-V207 CarbonylContact C-O 3.54Å; L169-V207 WeakPolarHBondContact CA-O 3.19Å; L169-A209 HydrophobicContact CD2-CB 3.65Å; L169-T244 HydrophobicContact CD2-CG2 4.49Å; L169-A247 HydrophobicContact CD1-CB 3.91Å; L169-A247 HydrophobicContact CD2-CB 4.3Å; L169-A247 HydrophobicContact CG-CB 4.32Å; L169-L248 HydrophobicContact CD1-CB 4.15Å; L169-V270 HydrophobicContact CB-CG1 3.98Å; L169-V270 HydrophobicContact CD1-CG1 4.27Å; L169-V271 PolarHBondContact N-O 3.33Å; L169-V272 HydrophobicContact CB-CG2 4.4Å; L169-V272 HydrophobicContact CD1-CG2 4.34Å; L169-V272 HydrophobicContact CD2-CG1 3.95Å; L169-F273 PolarHBondContact O-N 2.8Å
170I96.3Very high89.9Confident0 Ų046.5 Ų46.50%021%0.214CC..EExtended strand (participates in β ladder)trans-104.7140.4-174.559.8162.9000110.9G172 F181 Q184 K185 V188 L206 V207 Q208 A209 V235 F273I170-G172 PolarHBondContact O-N 3Å; I170-F181 HydrophobicContact CD1-CE2 3.75Å; I170-F181 HydrophobicContact CD1-CZ 4.07Å; I170-Q184 HydrophobicContact CB-CG 4.48Å; I170-Q184 HydrophobicContact CG2-CG 4.28Å; I170-K185 HydrophobicContact CD1-CG 4.46Å; I170-V188 HydrophobicContact CG2-CG2 3.82Å; I170-L206 HydrophobicContact CB-CD1 4.46Å; I170-L206 HydrophobicContact CD1-CD1 3.93Å; I170-L206 HydrophobicContact CD1-CD2 3.9Å; I170-L206 HydrophobicContact CD1-CG 4.1Å; I170-L206 HydrophobicContact CG1-CD1 3.93Å; I170-L206 HydrophobicContact CG1-CG 4.23Å; I170-L206 HydrophobicContact CG2-CD1 3.75Å; I170-V207 WeakPolarHBondContact CG1-O 3.3Å; I170-V207 PolarHBondContact N-O 3.02Å; I170-Q208 HydrophobicContact CG1-CB 4.31Å; I170-Q208 HydrophobicContact CG1-CG 4.38Å; I170-Q208 CarbonylContact O-C 3.53Å; I170-Q208 WeakPolarHBondContact O-CA 3.09Å; I170-A209 PolarHBondContact O-N 3.23Å; I170-V235 HydrophobicContact CD1-CG1 4.4Å; I170-F273 HydrophobicContact CG2-CD2 4.27Å
171D92.4Very high90.4Very high4 Ų440.7 Ų40.72%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-78114.8176.5-170.8-17.5000109.6S173 I176 F181 Q184 S242D171-S173 WeakPolarHBondContact OD1-CA 3.22Å; D171-S173 WeakPolarHBondContact OD1-CB 3.15Å; D171-S173 PolarHBondContact OD1-N 3.21Å; D171-S173 PolarHBondContact OD1-OG 3.08Å; D171-S173 PolarHBondContact OD2-OG 3.02Å; D171-I176 HydrophobicContact CB-CD1 4.34Å; D171-I176 HydrophobicContact CB-CG2 4.46Å; D171-I176 WeakPolarHBondContact O-CG2 3.43Å; D171-F181 VanDerWaalsContact O-CD2 3.22Å; D171-F181 WeakPolarHBondContact O-CD2 3.12Å; D171-Q184 PolarHBondContact O-OE1 3.33Å; D171-S242 PolarHBondContact OD2-OG 2.96Å
172G90.7Very high90.9Very high0 Ų036.8 Ų36.80%017%0.168CC..  trans-105.111.8175.800000114.4I170 A209 F237 G239I170-G172 PolarHBondContact O-N 3Å; G172-A209 VanDerWaalsContact CA-O 3.29Å; G172-A209 WeakPolarHBondContact CA-O 3.33Å; G172-A209 PolarHBondContact N-O 3.21Å; G172-F237 VanDerWaalsContact O-CE2 3.29Å; G172-F237 WeakPolarHBondContact O-CE2 3.4Å; G172-G239 WeakPolarHBondContact O-CA 3.34Å; G172-G239 PolarHBondContact O-N 3.15Å
173S86.3Confident91.1Very high0 Ų039 Ų390%018%0.179CC..SBendtrans-74.3168.5-173.7710000114.2D171 N175 I176 F237 G240D171-S173 WeakPolarHBondContact OD1-CA 3.22Å; D171-S173 WeakPolarHBondContact OD1-CB 3.15Å; D171-S173 PolarHBondContact OD1-N 3.21Å; D171-S173 PolarHBondContact OD1-OG 3.08Å; D171-S173 PolarHBondContact OD2-OG 3.02Å; S173-N175 PolarHBondContact O-N 2.95Å; S173-N175 PolarHBondContact OG-N 3.34Å; S173-I176 WeakPolarHBondContact O-CG2 3.43Å; S173-F237 WeakPolarHBondContact O-CE2 3.31Å; S173-F237 WeakPolarHBondContact O-CZ 3.16Å; S173-G240 WeakPolarHBondContact CA-O 3.36Å; S173-G240 VanDerWaalsContact CB-O 3.32Å; S173-G240 WeakPolarHBondContact CB-O 3.2Å
174F80.6Confident91.4Very high72 Ų7234.5 Ų34.532%0.31616%0.16SC..THydrogen-bonded Turntrans-67.3-20.1173.3-69.4-49.6000113.9G177 F237 G239 G240F174-G177 PolarHBondContact O-N 2.89Å; F174-F237 HydrophobicContact CD1-CE1 4.02Å; F174-F237 HydrophobicContact CD1-CZ 4.08Å; F174-F237 HydrophobicContact CE1-CE1 4.18Å; F174-G239 VanDerWaalsContact CD1-CA 3.47Å; F174-G240 PolarHBondContact N-O 3.38Å
175N79.5Confident91.5Very high107 Ų10735.3 Ų35.357%0.57216%0.163SC*.THydrogen-bonded Turntrans-68.1-41.5-178.8-73.723.9000111.9S173S173-N175 PolarHBondContact O-N 2.95Å; S173-N175 PolarHBondContact OG-N 3.34Å
176I83.8Confident91.5Very high6 Ų639.3 Ų39.33%0.03118%0.184CC..THydrogen-bonded Turntrans-73.9-37.8176.5-172.4164000111.6D171 S173 R180 Q184 F237 D275 W336D171-I176 HydrophobicContact CB-CD1 4.34Å; D171-I176 HydrophobicContact CB-CG2 4.46Å; D171-I176 WeakPolarHBondContact O-CG2 3.43Å; S173-I176 WeakPolarHBondContact O-CG2 3.43Å; I176-R180 HydrophobicContact CD1-CB 4.21Å; I176-R180 HydrophobicContact CG1-CB 3.47Å; I176-R180 VanDerWaalsContact CG1-CB 3.47Å; I176-R180 WeakPolarHBondContact O-CB 3.42Å; I176-Q184 HydrophobicContact CD1-CB 4.41Å; I176-Q184 VanDerWaalsContact CD1-NE2 3.33Å; I176-F237 HydrophobicContact CG2-CE2 4.32Å; I176-D275 HydrophobicContact CD1-CB 4.09Å; I176-D275 HydrophobicContact CG1-CB 4.36Å; I176-W336 HydrophobicContact CD1-CZ2 4.31Å
177G84.6Confident91.5Very high21 Ų2139.3 Ų39.322%0.21618%0.184CC..Hα-helixtrans70160.4-177.500000114.6F174 R179 R180 F181F174-G177 PolarHBondContact O-N 2.89Å; G177-R179 VanDerWaalsContact C-N 3.31Å; G177-R179 PolarHBondContact O-N 3.34Å; G177-R179 VanDerWaalsContact O-N 3.15Å; G177-R180 PolarHBondContact O-N 3.01Å; G177-F181 WeakPolarHBondContact O-CB 3.41Å; G177-F181 PolarHBondContact O-N 2.94Å
178Q87.3Confident91.4Very high93 Ų9339.3 Ų39.344%0.43518%0.184SC..Hα-helixtrans-53.5-41.5-171.8-173.870.554.200114.3N182 F237Q178-N182 PolarHBondContact O-N 3.44Å; Q178-N182 PolarHBondContact O-ND2 3.15Å; Q178-F237 VanDerWaalsContact OE1-CG 3.25Å
179R88.9Confident91.4Very high188 Ų18839.3 Ų39.371%0.70918%0.184SC*.Hα-helixtrans-65.9-48.8-176.2-178.3177.3175.7163.6-0.7111.3G177 N182 L183G177-R179 VanDerWaalsContact C-N 3.31Å; G177-R179 PolarHBondContact O-N 3.34Å; G177-R179 VanDerWaalsContact O-N 3.15Å; R179-N182 PolarHBondContact O-N 2.77Å; R179-L183 PolarHBondContact O-N 2.81Å
180R90.5Very high91.3Very high123 Ų12343.1 Ų43.146%0.46420%0.201SC..Hα-helixtrans-74.3-32.4-179.4-59.2-175.9-173.6178.13.4111.1I176 G177 N182 L183 Q184 D275I176-R180 HydrophobicContact CD1-CB 4.21Å; I176-R180 HydrophobicContact CG1-CB 3.47Å; I176-R180 VanDerWaalsContact CG1-CB 3.47Å; I176-R180 WeakPolarHBondContact O-CB 3.42Å; G177-R180 PolarHBondContact O-N 3.01Å; R180-N182 VanDerWaalsContact C-N 3.3Å; R180-N182 PolarHBondContact O-N 3.03Å; R180-L183 CarbonylContact O-C 3.6Å; R180-L183 WeakPolarHBondContact O-CA 3.42Å; R180-L183 WeakPolarHBondContact O-CB 3.47Å; R180-L183 PolarHBondContact O-N 2.94Å; R180-Q184 PolarHBondContact O-N 3.26Å; R180-D275 WeakPolarHBondContact CD-OD2 3.44Å; R180-D275 IonicContact NH1-OD1 3.14Å; R180-D275 PolarHBondContact NH1-OD1 3.07Å; R180-D275 IonicContact NH1-OD2 2.86Å; R180-D275 PolarHBondContact NH1-OD2 3.47Å
181F93Very high91.3Very high0 Ų043.1 Ų43.10%020%0.201CC..Hα-helixtrans-53.7-47.1168.7-179.4-111.3000111.8I170 D171 G177 L183 Q184 K185 Q208 V235 G236 F237I170-F181 HydrophobicContact CD1-CE2 3.75Å; I170-F181 HydrophobicContact CD1-CZ 4.07Å; D171-F181 VanDerWaalsContact O-CD2 3.22Å; D171-F181 WeakPolarHBondContact O-CD2 3.12Å; G177-F181 WeakPolarHBondContact O-CB 3.41Å; G177-F181 PolarHBondContact O-N 2.94Å; F181-L183 VanDerWaalsContact C-N 3.32Å; F181-L183 PolarHBondContact O-N 3.15Å; F181-Q184 WeakPolarHBondContact O-CB 3.33Å; F181-Q184 PolarHBondContact O-N 3.35Å; F181-K185 HydrophobicContact CD1-CD 4.17Å; F181-K185 HydrophobicContact CD1-CG 4.43Å; F181-K185 HydrophobicContact CE1-CD 3.57Å; F181-K185 HydrophobicContact CE1-CG 4.12Å; F181-K185 HydrophobicContact CE2-CG 4.45Å; F181-K185 HydrophobicContact CZ-CD 3.84Å; F181-K185 HydrophobicContact CZ-CG 4.14Å; F181-K185 WeakPolarHBondContact O-CG 3.33Å; F181-K185 PolarHBondContact O-N 2.79Å; F181-Q208 VanDerWaalsContact CZ-NE2 3.25Å; F181-V235 HydrophobicContact CZ-CG1 4.08Å; F181-G236 WeakPolarHBondContact CZ-O 3.37Å; F181-F237 HydrophobicContact CB-CD2 3.83Å; F181-F237 HydrophobicContact CB-CE2 4.25Å; F181-F237 HydrophobicContact CD1-CB 3.79Å; F181-F237 AromaticContact CD1-CD2 3.83Å; F181-F237 HydrophobicContact CD1-CD2 3.83Å; F181-F237 HydrophobicContact CD1-CG 4.27Å; F181-F237 HydrophobicContact CD2-CD2 4.14Å; F181-F237 HydrophobicContact CE1-CB 3.92Å; F181-F237 HydrophobicContact CE1-CD2 4.39Å; F181-F237 HydrophobicContact CG-CB 4.5Å; F181-F237 AromaticContact CG-CD2 3.67Å; F181-F237 HydrophobicContact CG-CD2 3.67Å; F181-F237 HydrophobicContact CG-CE2 4.44Å
182N94.5Very high91.5Very high61 Ų6143 Ų4333%0.32620%0.2SC..Hα-helixtrans-63.9-34.7175.5-74.2-25.7000113Q178 R179 R180 K185 N186Q178-N182 PolarHBondContact O-N 3.44Å; Q178-N182 PolarHBondContact O-ND2 3.15Å; R179-N182 PolarHBondContact O-N 2.77Å; R180-N182 VanDerWaalsContact C-N 3.3Å; R180-N182 PolarHBondContact O-N 3.03Å; N182-K185 VanDerWaalsContact OD1-CE 3.3Å; N182-K185 WeakPolarHBondContact OD1-CE 3.42Å; N182-N186 WeakPolarHBondContact O-CB 3.44Å; N182-N186 PolarHBondContact O-N 2.84Å; N182-N186 PolarHBondContact O-ND2 2.9Å; N182-N186 VanDerWaalsContact O-ND2 3.1Å
183L94.7Very high91.7Very high47 Ų4746.9 Ų46.925%0.24622%0.221CC..Hα-helixtrans-66.7-40.2173.8-64.1173.4000111.8R179 R180 F181 N186 F187 W336R179-L183 PolarHBondContact O-N 2.81Å; R180-L183 CarbonylContact O-C 3.6Å; R180-L183 WeakPolarHBondContact O-CA 3.42Å; R180-L183 WeakPolarHBondContact O-CB 3.47Å; R180-L183 PolarHBondContact O-N 2.94Å; F181-L183 VanDerWaalsContact C-N 3.32Å; F181-L183 PolarHBondContact O-N 3.15Å; L183-N186 PolarHBondContact O-N 2.86Å; L183-F187 PolarHBondContact O-N 2.91Å; L183-W336 HydrophobicContact CB-CB 3.96Å; L183-W336 HydrophobicContact CB-CD2 4.36Å; L183-W336 HydrophobicContact CB-CE3 4.45Å; L183-W336 HydrophobicContact CB-CG 4.19Å; L183-W336 HydrophobicContact CD1-CB 3.6Å; L183-W336 HydrophobicContact CD1-CG 4.31Å; L183-W336 HydrophobicContact CG-CB 4.38Å
184Q95.1Very high92.1Very high0 Ų051 Ų510%024%0.241CC..Hα-helixtrans-62.2-50.1174.7-176.2178.688.400111.2I170 D171 I176 R180 F181 N186 F187 V188 F273 W336I170-Q184 HydrophobicContact CB-CG 4.48Å; I170-Q184 HydrophobicContact CG2-CG 4.28Å; D171-Q184 PolarHBondContact O-OE1 3.33Å; I176-Q184 HydrophobicContact CD1-CB 4.41Å; I176-Q184 VanDerWaalsContact CD1-NE2 3.33Å; R180-Q184 PolarHBondContact O-N 3.26Å; F181-Q184 WeakPolarHBondContact O-CB 3.33Å; F181-Q184 PolarHBondContact O-N 3.35Å; Q184-N186 VanDerWaalsContact C-N 3.28Å; Q184-N186 PolarHBondContact O-N 3.05Å; Q184-F187 WeakPolarHBondContact O-CB 3.47Å; Q184-F187 PolarHBondContact O-N 3.36Å; Q184-V188 WeakPolarHBondContact O-CG2 3.47Å; Q184-V188 PolarHBondContact O-N 3.21Å; Q184-F273 HydrophobicContact CG-CB 4.28Å; Q184-F273 HydrophobicContact CG-CG 4.37Å; Q184-W336 HydrophobicContact CB-CH2 3.6Å; Q184-W336 HydrophobicContact CB-CZ2 3.91Å; Q184-W336 HydrophobicContact CB-CZ3 3.97Å; Q184-W336 HydrophobicContact CG-CH2 3.56Å; Q184-W336 HydrophobicContact CG-CZ2 4.1Å; Q184-W336 HydrophobicContact CG-CZ3 4.21Å
185K95.6Very high92.7Very high18 Ų1847.6 Ų47.68%0.07823%0.226CC..Hα-helixtrans-54.5-44173.8-67.9-163.1-54.2169.70112.2I170 F181 N182 F187 V188 G189 I232 K233 V235I170-K185 HydrophobicContact CD1-CG 4.46Å; F181-K185 HydrophobicContact CD1-CD 4.17Å; F181-K185 HydrophobicContact CD1-CG 4.43Å; F181-K185 HydrophobicContact CE1-CD 3.57Å; F181-K185 HydrophobicContact CE1-CG 4.12Å; F181-K185 HydrophobicContact CE2-CG 4.45Å; F181-K185 HydrophobicContact CZ-CD 3.84Å; F181-K185 HydrophobicContact CZ-CG 4.14Å; F181-K185 WeakPolarHBondContact O-CG 3.33Å; F181-K185 PolarHBondContact O-N 2.79Å; N182-K185 VanDerWaalsContact OD1-CE 3.3Å; N182-K185 WeakPolarHBondContact OD1-CE 3.42Å; K185-F187 VanDerWaalsContact C-N 3.34Å; K185-F187 PolarHBondContact O-N 3.38Å; K185-V188 PolarHBondContact O-N 3.39Å; K185-G189 PolarHBondContact O-N 3.25Å; K185-I232 HydrophobicContact CB-CG2 3.93Å; K185-I232 WeakPolarHBondContact CD-O 3.47Å; K185-I232 HydrophobicContact CG-CG2 4.4Å; K185-I232 WeakPolarHBondContact O-CG2 3.42Å; K185-K233 PolarHBondContact NZ-O 3.5Å; K185-V235 HydrophobicContact CD-CB 4.15Å; K185-V235 PolarHBondContact NZ-O 2.87Å
186N95.7Very high93.2Very high83 Ų8343.7 Ų43.744%0.44421%0.211SC..Hα-helixtrans-63.7-38.3177.3-76-31.4000112.6N182 L183 Q184 K190N182-N186 WeakPolarHBondContact O-CB 3.44Å; N182-N186 PolarHBondContact O-N 2.84Å; N182-N186 PolarHBondContact O-ND2 2.9Å; N182-N186 VanDerWaalsContact O-ND2 3.1Å; L183-N186 PolarHBondContact O-N 2.86Å; Q184-N186 VanDerWaalsContact C-N 3.28Å; Q184-N186 PolarHBondContact O-N 3.05Å; N186-K190 WeakPolarHBondContact O-CG 3.43Å; N186-K190 PolarHBondContact O-N 3.42Å; N186-K190 VanDerWaalsContact O-N 3.12Å
187F96.9Very high93.7Very high1 Ų143.7 Ų43.70%0.00421%0.211CC..Hα-helixtrans-66.1-50.6175.2-178.8-98.6000111.5L183 Q184 K185 G189 K190 V191 F273 M333 W336 T339 V343 L346L183-F187 PolarHBondContact O-N 2.91Å; Q184-F187 WeakPolarHBondContact O-CB 3.47Å; Q184-F187 PolarHBondContact O-N 3.36Å; K185-F187 VanDerWaalsContact C-N 3.34Å; K185-F187 PolarHBondContact O-N 3.38Å; F187-G189 VanDerWaalsContact C-N 3.25Å; F187-G189 PolarHBondContact O-N 3.27Å; F187-K190 WeakPolarHBondContact O-CB 3.46Å; F187-K190 PolarHBondContact O-N 3.01Å; F187-V191 HydrophobicContact CD1-CG2 4.1Å; F187-V191 HydrophobicContact CE1-CG2 3.68Å; F187-V191 HydrophobicContact CZ-CG2 3.95Å; F187-V191 WeakPolarHBondContact O-CG2 3.38Å; F187-V191 PolarHBondContact O-N 3.06Å; F187-F273 HydrophobicContact CD1-CD1 4.47Å; F187-F273 AromaticContact CD1-CE1 3.4Å; F187-F273 HydrophobicContact CD1-CE1 3.4Å; F187-F273 AromaticContact CD1-CZ 3.7Å; F187-F273 HydrophobicContact CD1-CZ 3.7Å; F187-F273 AromaticContact CE1-CE1 3.43Å; F187-F273 HydrophobicContact CE1-CE1 3.43Å; F187-F273 VanDerWaalsContact CE1-CE1 3.43Å; F187-F273 AromaticContact CE1-CZ 3.69Å; F187-F273 HydrophobicContact CE1-CZ 3.69Å; F187-M333 HydrophobicContact CD2-CE 4.36Å; F187-M333 HydrophobicContact CE1-SD 4.16Å; F187-M333 HydrophobicContact CE2-CE 4.2Å; F187-M333 HydrophobicContact CE2-SD 3.94Å; F187-M333 HydrophobicContact CZ-CE 4.48Å; F187-M333 HydrophobicContact CZ-SD 3.7Å; F187-W336 HydrophobicContact CB-CZ3 4.16Å; F187-W336 HydrophobicContact CG-CZ3 4.48Å; F187-T339 VanDerWaalsContact CD2-CB 3.48Å; F187-T339 HydrophobicContact CD2-CG2 4.41Å; F187-T339 WeakPolarHBondContact CE2-O 3.43Å; F187-V343 HydrophobicContact CD2-CG2 3.99Å; F187-V343 HydrophobicContact CE2-CG2 3.58Å; F187-V343 HydrophobicContact CZ-CG2 4.29Å; F187-L346 HydrophobicContact CE1-CD2 3.84Å; F187-L346 HydrophobicContact CZ-CD2 4.08Å
188V97.4Very high93.7Very high0 Ų042.7 Ų42.70%020%0.2CC..Hα-helixtrans-57.6-40.9177178.50000110.9F168 I170 Q184 K185 K190 V191 A192 L206 I232 F273F168-V188 HydrophobicContact CB-CG1 3.88Å; F168-V188 HydrophobicContact CD1-CG1 3.92Å; F168-V188 HydrophobicContact CD2-CG1 3.63Å; F168-V188 HydrophobicContact CE1-CG1 4.36Å; F168-V188 HydrophobicContact CE2-CG1 4.09Å; F168-V188 HydrophobicContact CG-CG1 3.52Å; F168-V188 HydrophobicContact CZ-CG1 4.43Å; I170-V188 HydrophobicContact CG2-CG2 3.82Å; Q184-V188 WeakPolarHBondContact O-CG2 3.47Å; Q184-V188 PolarHBondContact O-N 3.21Å; K185-V188 PolarHBondContact O-N 3.39Å; V188-K190 PolarHBondContact O-N 2.84Å; V188-V191 PolarHBondContact O-N 3.02Å; V188-A192 WeakPolarHBondContact O-CB 3.15Å; V188-A192 PolarHBondContact O-N 3.31Å; V188-L206 HydrophobicContact CG1-CD1 4.33Å; V188-I232 HydrophobicContact CG1-CD1 3.94Å; V188-F273 HydrophobicContact CG2-CD2 4.07Å; V188-F273 HydrophobicContact CG2-CE2 3.55Å; V188-F273 HydrophobicContact CG2-CZ 3.83Å
189G97.1Very high93.6Very high0 Ų040.2 Ų40.20%019%0.192CC..Hα-helixtrans-59.4-40.6173.700000113.6K185 F187 A192 L193K185-G189 PolarHBondContact O-N 3.25Å; F187-G189 VanDerWaalsContact C-N 3.25Å; F187-G189 PolarHBondContact O-N 3.27Å; G189-A192 PolarHBondContact O-N 2.85Å; G189-L193 WeakPolarHBondContact O-CG 3.43Å; G189-L193 PolarHBondContact O-N 3.22Å
190K96.8Very high93.4Very high82 Ų8235.3 Ų35.336%0.35718%0.177SC..Hα-helixtrans-67-39.3174.9-71.3172.5-179.3178.90112.2N186 F187 V188 L193 M194 T340 V343N186-K190 WeakPolarHBondContact O-CG 3.43Å; N186-K190 PolarHBondContact O-N 3.42Å; N186-K190 VanDerWaalsContact O-N 3.12Å; F187-K190 WeakPolarHBondContact O-CB 3.46Å; F187-K190 PolarHBondContact O-N 3.01Å; V188-K190 PolarHBondContact O-N 2.84Å; K190-L193 PolarHBondContact O-N 3.43Å; K190-M194 PolarHBondContact O-N 3Å; K190-M194 VanDerWaalsContact O-N 3.13Å; K190-T340 PolarHBondContact NZ-OG1 3.12Å; K190-V343 HydrophobicContact CB-CG1 4.37Å; K190-V343 HydrophobicContact CB-CG2 3.89Å; K190-V343 HydrophobicContact CD-CG2 4.42Å
191V97.2Very high93.4Very high0 Ų029.5 Ų29.50%016%0.155CC..Hα-helixtrans-62.2-48.8174.2178.20000110.1F168 F187 V188 L193 M194 L195 V343 L346 V347 L350F168-V191 HydrophobicContact CE1-CG1 3.98Å; F168-V191 HydrophobicContact CZ-CB 4.34Å; F168-V191 HydrophobicContact CZ-CG1 3.72Å; F187-V191 HydrophobicContact CD1-CG2 4.1Å; F187-V191 HydrophobicContact CE1-CG2 3.68Å; F187-V191 HydrophobicContact CZ-CG2 3.95Å; F187-V191 WeakPolarHBondContact O-CG2 3.38Å; F187-V191 PolarHBondContact O-N 3.06Å; V188-V191 PolarHBondContact O-N 3.02Å; V191-L193 VanDerWaalsContact C-N 3.31Å; V191-L193 PolarHBondContact O-N 2.91Å; V191-M194 PolarHBondContact O-N 3.47Å; V191-L195 HydrophobicContact CG1-CD1 4.06Å; V191-L195 HydrophobicContact CG1-CG 4.27Å; V191-L195 WeakPolarHBondContact O-CG 3.23Å; V191-L195 PolarHBondContact O-N 3.05Å; V191-V343 HydrophobicContact CG2-CG1 4.07Å; V191-V343 HydrophobicContact CG2-CG2 4.42Å; V191-L346 HydrophobicContact CG2-CD2 4.1Å; V191-V347 HydrophobicContact CG1-CG2 3.86Å; V191-L350 HydrophobicContact CG1-CD1 4.31Å
192A95.7Very high93.5Very high0 Ų029.5 Ų29.50%016%0.155CC..Hα-helixtrans-56.9-4217700000112.7V188 G189 M194 I197 V228 I232V188-A192 WeakPolarHBondContact O-CB 3.15Å; V188-A192 PolarHBondContact O-N 3.31Å; G189-A192 PolarHBondContact O-N 2.85Å; A192-M194 VanDerWaalsContact C-N 3.34Å; A192-M194 PolarHBondContact O-N 2.87Å; A192-I197 HydrophobicContact CB-CD1 3.88Å; A192-I197 VanDerWaalsContact O-CD1 3.29Å; A192-I197 WeakPolarHBondContact O-CD1 3.48Å; A192-V228 HydrophobicContact CB-CG1 3.77Å; A192-I232 HydrophobicContact CB-CD1 4.21Å
193L94.6Very high93.5Very high83 Ų8327.9 Ų27.944%0.43515%0.145SC..Hα-helixtrans-61.3-39.9174.5-75.8176.2000113.1G189 K190 V191 A225 L229G189-L193 WeakPolarHBondContact O-CG 3.43Å; G189-L193 PolarHBondContact O-N 3.22Å; K190-L193 PolarHBondContact O-N 3.43Å; V191-L193 VanDerWaalsContact C-N 3.31Å; V191-L193 PolarHBondContact O-N 2.91Å; L193-A225 HydrophobicContact CD2-CB 4.23Å; L193-L229 HydrophobicContact CD1-CD1 4.4Å; L193-L229 HydrophobicContact CD1-CD2 3.96Å; L193-L229 HydrophobicContact CD2-CB 4.44Å; L193-L229 HydrophobicContact CD2-CD2 4.24Å; L193-L229 HydrophobicContact CG-CD2 4.3Å
194M95.1Very high93.7Very high87 Ų8725.7 Ų25.743%0.42913%0.134SC..Hα-helixtrans-83.2-22.7-176.1-173.7166.2-171.500113.6K190 V191 A192 G196 V343 K344 V347K190-M194 PolarHBondContact O-N 3Å; K190-M194 VanDerWaalsContact O-N 3.13Å; V191-M194 PolarHBondContact O-N 3.47Å; A192-M194 VanDerWaalsContact C-N 3.34Å; A192-M194 PolarHBondContact O-N 2.87Å; M194-G196 PolarHBondContact O-N 2.95Å; M194-V343 HydrophobicContact CB-CG1 4.04Å; M194-V343 HydrophobicContact SD-CG1 3.85Å; M194-K344 HydrophobicContact CE-CB 3.57Å; M194-K344 HydrophobicContact CE-CD 4.04Å; M194-K344 HydrophobicContact CE-CG 3.54Å; M194-K344 HydrophobicContact SD-CB 3.91Å; M194-V347 HydrophobicContact CB-CG2 4.07Å; M194-V347 HydrophobicContact CG-CB 4.43Å; M194-V347 HydrophobicContact CG-CG1 4.3Å; M194-V347 HydrophobicContact CG-CG2 4.1Å
195L93.8Very high93.8Very high0 Ų025.7 Ų25.70%013%0.134CC..Hα-helixtrans-62.1-23.4176-84.5169.3000113.5I166 F168 V191 I197 P202 V204 V347 L350I166-L195 HydrophobicContact CD1-CD1 3.78Å; I166-L195 HydrophobicContact CD1-CD2 3.84Å; F168-L195 HydrophobicContact CE2-CD1 4.26Å; F168-L195 HydrophobicContact CZ-CD1 3.82Å; V191-L195 HydrophobicContact CG1-CD1 4.06Å; V191-L195 HydrophobicContact CG1-CG 4.27Å; V191-L195 WeakPolarHBondContact O-CG 3.23Å; V191-L195 PolarHBondContact O-N 3.05Å; L195-I197 HydrophobicContact CB-CG1 4.32Å; L195-P202 HydrophobicContact CB-CG 3.84Å; L195-P202 HydrophobicContact CD2-CG 4.28Å; L195-P202 WeakPolarHBondContact O-CG 3.24Å; L195-V204 HydrophobicContact CD1-CG1 4Å; L195-V347 HydrophobicContact CD2-CG1 4.11Å; L195-V347 HydrophobicContact CD2-CG2 4.37Å; L195-V347 HydrophobicContact CG-CG2 4.21Å; L195-L350 HydrophobicContact CD2-CB 4.45Å
196G89Confident94Very high24 Ų2424.8 Ų24.825%0.24713%0.13CC..THydrogen-bonded Turntrans71.446.1-178.100000112.9G158 N159 M194 G198G158-G196 CarbonylContact C-O 3.5Å; G158-G196 WeakPolarHBondContact CA-O 3.4Å; N159-G196 PolarHBondContact N-O 3.3Å; M194-G196 PolarHBondContact O-N 2.95Å; G196-G198 PolarHBondContact O-N 3.34Å
197I93.4Very high94.1Very high6 Ų620.9 Ų20.93%0.03111%0.109CC..  trans-55.6131.2179.4-61.9156.7000111A192 L195 P202 V204 A225 V228A192-I197 HydrophobicContact CB-CD1 3.88Å; A192-I197 VanDerWaalsContact O-CD1 3.29Å; A192-I197 WeakPolarHBondContact O-CD1 3.48Å; L195-I197 HydrophobicContact CB-CG1 4.32Å; I197-P202 HydrophobicContact CG1-CG 4.42Å; I197-V204 HydrophobicContact CD1-CB 4.37Å; I197-V204 HydrophobicContact CD1-CG1 3.9Å; I197-V204 HydrophobicContact CD1-CG2 3.45Å; I197-V204 VanDerWaalsContact CD1-CG2 3.45Å; I197-V204 HydrophobicContact CG1-CG1 3.99Å; I197-V204 HydrophobicContact CG1-CG2 4.21Å; I197-A225 HydrophobicContact CB-CB 4.07Å; I197-A225 HydrophobicContact CD1-CB 4.17Å; I197-A225 HydrophobicContact CG1-CB 4.49Å; I197-V228 HydrophobicContact CD1-CB 4.16Å; I197-V228 HydrophobicContact CD1-CG1 4.15Å; I197-V228 HydrophobicContact CD1-CG2 4.06Å
198G85.2Confident94Very high0 Ų020.8 Ų20.80%011%0.109CC..SBendtrans-176.1178.2-178.500000110.8K156 T157 G196 E200 G201 T223K156-G198 WeakPolarHBondContact O-CA 3.21Å; T157-G198 CarbonylContact O-C 3.29Å; G196-G198 PolarHBondContact O-N 3.34Å; G198-E200 VanDerWaalsContact C-N 3.27Å; G198-E200 PolarHBondContact O-N 3.19Å; G198-G201 PolarHBondContact O-N 3.04Å; G198-G201 VanDerWaalsContact O-N 3.1Å; G198-T223 WeakPolarHBondContact CA-O 3.42Å
199T85.2Confident93.8Very high41 Ų4120.8 Ų20.825%0.25211%0.109SC..THydrogen-bonded Turntrans-65.2-28.6-174.256.40000114.1K155 K156 T157K155-T199 HydrophobicContact CB-CG2 4.19Å; K155-T199 HydrophobicContact CD-CG2 4.01Å; K155-T199 HydrophobicContact CG-CG2 4Å; K156-T199 PolarHBondContact O-N 3.28Å; T157-T199 PolarHBondContact O-N 3.27Å
200E85Confident93.4Very high86 Ų8621 Ų2140%0.40211%0.11SC..THydrogen-bonded Turntrans-103.3-1.2175.5-57.7-66.9135.900112.4T157 K160 G198T157-E200 CarbonylContact O-C 3.55Å; T157-E200 VanDerWaalsContact O-CA 3.29Å; T157-E200 WeakPolarHBondContact O-CA 3.32Å; T157-E200 WeakPolarHBondContact O-CB 3.48Å; T157-E200 PolarHBondContact O-N 3.16Å; K160-E200 HydrophobicContact CG-CB 3.94Å; G198-E200 VanDerWaalsContact C-N 3.27Å; G198-E200 PolarHBondContact O-N 3.19Å
201G90.3Very high92.8Very high0 Ų020.2 Ų20.20%011%0.107CC..SBendtrans-100.8-158.3-177.800000113.1T157 N159 C162 G198 R263T157-G201 PolarHBondContact O-N 3.24Å; N159-G201 WeakPolarHBondContact O-CA 3.22Å; C162-G201 CarbonylContact O-C 2.96Å; G198-G201 PolarHBondContact O-N 3.04Å; G198-G201 VanDerWaalsContact O-N 3.1Å; G201-R263 PolarHBondContact O-NH1 3.09Å; G201-R263 PolarHBondContact O-NH2 3.39Å
202P94.9Very high92.5Very high0 Ų025.5 Ų25.50%013%0.132CC..  trans-75143.5176.729.5-30.1000110.5C162 A164 I166 L195 I197C162-P202 WeakPolarHBondContact O-CD 3.41Å; C162-P202 VanDerWaalsContact O-N 3.09Å; A164-P202 WeakPolarHBondContact O-CA 3.4Å; A164-P202 WeakPolarHBondContact O-CB 3.39Å; I166-P202 HydrophobicContact CD1-CB 4.25Å; L195-P202 HydrophobicContact CB-CG 3.84Å; L195-P202 HydrophobicContact CD2-CG 4.28Å; L195-P202 WeakPolarHBondContact O-CG 3.24Å; I197-P202 HydrophobicContact CG1-CG 4.42Å
203H95.6Very high92.4Very high27 Ų2726.5 Ų26.513%0.12514%0.139CC..EExtended strand (participates in β ladder)trans-99.3142.8168.9-69.1179.1000108.7A164 I166 L219A164-H203 PolarHBondContact O-N 2.91Å; I166-H203 PolarHBondContact N-O 3.04Å; H203-L219 HydrophobicContact CB-CB 4.07Å; H203-L219 HydrophobicContact CB-CD2 4.01Å; H203-L219 WeakPolarHBondContact O-CD2 3.18Å
204V97.6Very high92.4Very high1 Ų126.8 Ų26.81%0.00614%0.136CC..EExtended strand (participates in β ladder)trans-134.5144.4-176.8-50.40000111.8I166 F168 L195 I197 V228I166-V204 HydrophobicContact CB-CG1 4.16Å; I166-V204 HydrophobicContact CD1-CG1 4.48Å; I166-V204 CarbonylContact O-C 3.48Å; I166-V204 WeakPolarHBondContact O-CA 3.42Å; F168-V204 HydrophobicContact CD2-CB 4.44Å; F168-V204 HydrophobicContact CE2-CB 4.14Å; F168-V204 HydrophobicContact CE2-CG1 4.12Å; L195-V204 HydrophobicContact CD1-CG1 4Å; I197-V204 HydrophobicContact CD1-CB 4.37Å; I197-V204 HydrophobicContact CD1-CG1 3.9Å; I197-V204 HydrophobicContact CD1-CG2 3.45Å; I197-V204 VanDerWaalsContact CD1-CG2 3.45Å; I197-V204 HydrophobicContact CG1-CG1 3.99Å; I197-V204 HydrophobicContact CG1-CG2 4.21Å; V204-V228 HydrophobicContact CG2-CB 4.28Å; V204-V228 HydrophobicContact CG2-CG1 3.6Å; V204-V228 HydrophobicContact CG2-CG2 3.72Å
205G98.1Very high92.5Very high0 Ų023.8 Ų23.80%012%0.122CC..EExtended strand (participates in β ladder)trans-134.4-178.6164.200000111.7I166 F168 F217I166-G205 PolarHBondContact O-N 3.13Å; F168-G205 PolarHBondContact N-O 2.98Å; G205-F217 VanDerWaalsContact CA-CE2 3.5Å; G205-F217 VanDerWaalsContact CA-O 3.3Å; G205-F217 WeakPolarHBondContact CA-O 3.12Å
206L98.6Very high92.7Very high0 Ų026 Ų260%013%0.132CC..EExtended strand (participates in β ladder)trans-136.2132.5-173.8-170.675.9000110.4F168 I170 V188 E216 F217 I232 V235F168-L206 HydrophobicContact CB-CD1 3.61Å; F168-L206 CarbonylContact O-C 3.55Å; F168-L206 WeakPolarHBondContact O-CA 3.21Å; I170-L206 HydrophobicContact CB-CD1 4.46Å; I170-L206 HydrophobicContact CD1-CD1 3.93Å; I170-L206 HydrophobicContact CD1-CD2 3.9Å; I170-L206 HydrophobicContact CD1-CG 4.1Å; I170-L206 HydrophobicContact CG1-CD1 3.93Å; I170-L206 HydrophobicContact CG1-CG 4.23Å; I170-L206 HydrophobicContact CG2-CD1 3.75Å; V188-L206 HydrophobicContact CG1-CD1 4.33Å; L206-E216 HydrophobicContact CB-CB 4.32Å; L206-E216 HydrophobicContact CD2-CB 4.21Å; L206-E216 HydrophobicContact CD2-CG 4.31Å; L206-E216 PolarHBondContact O-N 2.88Å; L206-F217 HydrophobicContact CB-CD1 3.92Å; L206-F217 HydrophobicContact CB-CE1 3.38Å; L206-F217 HydrophobicContact CB-CE2 4.16Å; L206-F217 HydrophobicContact CB-CZ 3.52Å; L206-F217 HydrophobicContact CD2-CE1 3.84Å; L206-F217 HydrophobicContact CD2-CZ 4.46Å; L206-F217 HydrophobicContact CG-CE1 4.27Å; L206-F217 PolarHBondContact N-O 3.14Å; L206-F217 PolarHBondContact O-N 3.16Å; L206-I232 HydrophobicContact CD2-CG1 4.34Å; L206-V235 HydrophobicContact CD2-CB 4.3Å; L206-V235 HydrophobicContact CD2-CG1 4.26Å; L206-V235 HydrophobicContact CD2-CG2 3.49Å; L206-V235 VanDerWaalsContact CD2-CG2 3.49Å
207V98.3Very high93.1Very high0 Ų025.5 Ų25.50%012%0.123CC..EExtended strand (participates in β ladder)trans-124134174.4-171.90000108F168 L169 I170 K214 I215 T251 F255F168-V207 PolarHBondContact O-N 3.14Å; L169-V207 CarbonylContact C-O 3.54Å; L169-V207 WeakPolarHBondContact CA-O 3.19Å; I170-V207 WeakPolarHBondContact CG1-O 3.3Å; I170-V207 PolarHBondContact N-O 3.02Å; V207-K214 CarbonylContact C-O 3.45Å; V207-K214 WeakPolarHBondContact CA-O 3.37Å; V207-K214 WeakPolarHBondContact CG1-O 3.22Å; V207-I215 HydrophobicContact CG1-CG1 4.41Å; V207-I215 HydrophobicContact CG2-CG1 4.11Å; V207-T251 HydrophobicContact CG2-CG2 4.08Å; V207-F255 HydrophobicContact CG2-CD2 3.7Å; V207-F255 HydrophobicContact CG2-CE2 4.04Å; V207-F255 HydrophobicContact CG2-CG 4.46Å
208Q95.7Very high93.4Very high0 Ų029.3 Ų29.30%014%0.138CC..EExtended strand (participates in β ladder)trans-102.5120.7175.3-168.8174.916.600109.8I170 F181 P213 K214 E216 G236I170-Q208 HydrophobicContact CG1-CB 4.31Å; I170-Q208 HydrophobicContact CG1-CG 4.38Å; I170-Q208 CarbonylContact O-C 3.53Å; I170-Q208 WeakPolarHBondContact O-CA 3.09Å; F181-Q208 VanDerWaalsContact CZ-NE2 3.25Å; Q208-P213 WeakPolarHBondContact O-CA 3.48Å; Q208-K214 PolarHBondContact N-O 2.82Å; Q208-K214 PolarHBondContact O-N 3.31Å; Q208-E216 HydrophobicContact CB-CG 4.41Å; Q208-E216 PolarHBondContact OE1-OE1 3.48Å; Q208-G236 PolarHBondContact NE2-O 2.81Å; Q208-G236 PolarHBondContact OE1-O 3.35Å
209A92.7Very high93.9Very high0 Ų029.4 Ų29.40%014%0.138CC..EExtended strand (participates in β ladder)trans-78135.2167.200000110L169 I170 G172 A247L169-A209 HydrophobicContact CD2-CB 3.65Å; I170-A209 PolarHBondContact O-N 3.23Å; G172-A209 VanDerWaalsContact CA-O 3.29Å; G172-A209 WeakPolarHBondContact CA-O 3.33Å; G172-A209 PolarHBondContact N-O 3.21Å; A209-A247 HydrophobicContact CB-CB 3.61Å
210S88.5Confident94.3Very high3 Ų333.7 Ų33.72%0.02115%0.153CC..SBendtrans-164.1-158174.660.20000107.1H212 R238 G239 N241 N243S210-H212 PolarHBondContact O-N 3.2Å; S210-H212 VanDerWaalsContact O-N 3.16Å; S210-H212 PolarHBondContact OG-O 3.34Å; S210-R238 PolarHBondContact OG-NH1 2.77Å; S210-G239 WeakPolarHBondContact CB-O 3.42Å; S210-N241 CarbonylContact C-O 3.57Å; S210-N241 WeakPolarHBondContact CA-O 3.37Å; S210-N243 WeakPolarHBondContact O-CB 3.49Å
211E85.4Confident94.7Very high66 Ų6633.4 Ų33.431%0.30816%0.155SC..SBendtrans-49.3-41.7170.7-167.159.4-127.200112.4N241 N243 K246E211-N241 PolarHBondContact N-O 2.89Å; E211-N241 VanDerWaalsContact N-O 3.14Å; E211-N241 WeakPolarHBondContact OE2-CB 2.98Å; E211-N241 PolarHBondContact OE2-N 2.82Å; E211-N241 PolarHBondContact OE2-ND2 3.32Å; E211-N243 PolarHBondContact O-ND2 3.13Å; E211-N243 VanDerWaalsContact O-ND2 3.08Å; E211-N243 PolarHBondContact OE1-ND2 2.92Å; E211-K246 PolarHBondContact O-NZ 3.36Å
212H89.2Confident94.9Very high111 Ų11136.1 Ų36.151%0.51417%0.167SC..SBendtrans-130.9117179.6-64.695.9000109.5S210 K214 R238S210-H212 PolarHBondContact O-N 3.2Å; S210-H212 VanDerWaalsContact O-N 3.16Å; S210-H212 PolarHBondContact OG-O 3.34Å; H212-K214 PolarHBondContact O-N 2.89Å; H212-R238 PolarHBondContact O-NH1 2.03Å
213P94.1Very high94.6Very high22 Ų2239.7 Ų39.714%0.14319%0.189CC..  trans-59.7141-179.924.2-32.7000111.5Q208 K246 A247 H250Q208-P213 WeakPolarHBondContact O-CA 3.48Å; P213-K246 HydrophobicContact CG-CG 4.45Å; P213-A247 HydrophobicContact CB-CB 3.81Å; P213-H250 HydrophobicContact CB-CB 4.16Å; P213-H250 HydrophobicContact CG-CB 3.67Å
214K95.3Very high94.4Very high88 Ų8839.5 Ų39.538%0.38319%0.19SC..EExtended strand (participates in β ladder)trans-131.5130175.9174.5173.5172.3-121.40110.5V207 Q208 H212 E216V207-K214 CarbonylContact C-O 3.45Å; V207-K214 WeakPolarHBondContact CA-O 3.37Å; V207-K214 WeakPolarHBondContact CG1-O 3.22Å; Q208-K214 PolarHBondContact N-O 2.82Å; Q208-K214 PolarHBondContact O-N 3.31Å; H212-K214 PolarHBondContact O-N 2.89Å; K214-E216 VanDerWaalsContact CD-OE1 3.26Å; K214-E216 WeakPolarHBondContact CD-OE1 3.15Å; K214-E216 WeakPolarHBondContact CE-OE1 3.29Å; K214-E216 WeakPolarHBondContact CG-OE1 3.33Å; K214-E216 IonicContact NZ-OE1 2.83Å; K214-E216 PolarHBondContact NZ-OE1 2.89Å; K214-E216 IonicContact NZ-OE2 3.57Å; K214-E216 PolarHBondContact NZ-OE2 3Å; K214-E216 PolarHBondContact O-N 3.13Å
215I97.6Very high94.1Very high24 Ų2440.2 Ų40.212%0.12320%0.196CC..EExtended strand (participates in β ladder)trans-81.2115169.9-56.8172.9000106.8V207 Y218 F255V207-I215 HydrophobicContact CG1-CG1 4.41Å; V207-I215 HydrophobicContact CG2-CG1 4.11Å; I215-Y218 HydrophobicContact CB-CE1 4.39Å; I215-Y218 HydrophobicContact CD1-CD1 4.45Å; I215-Y218 HydrophobicContact CD1-CE1 3.52Å; I215-Y218 HydrophobicContact CG1-CE1 4.48Å; I215-Y218 HydrophobicContact CG2-CD1 3.85Å; I215-Y218 HydrophobicContact CG2-CD2 4.17Å; I215-Y218 HydrophobicContact CG2-CE1 3.72Å; I215-Y218 HydrophobicContact CG2-CE2 4Å; I215-Y218 HydrophobicContact CG2-CG 4.09Å; I215-F255 HydrophobicContact CD1-CB 4.35Å; I215-F255 HydrophobicContact CD1-CD2 4.19Å; I215-F255 HydrophobicContact CG1-CD2 4.29Å; I215-F255 HydrophobicContact CG2-CD2 3.85Å; I215-F255 HydrophobicContact CG2-CE2 4Å
216E97.6Very high93.8Very high47 Ų4746.5 Ų46.522%0.2222%0.223CC..EExtended strand (participates in β ladder)trans-79.8-39.4179-65.8-61.5148.800110.8L206 Q208 K214 V235L206-E216 HydrophobicContact CB-CB 4.32Å; L206-E216 HydrophobicContact CD2-CB 4.21Å; L206-E216 HydrophobicContact CD2-CG 4.31Å; L206-E216 PolarHBondContact O-N 2.88Å; Q208-E216 HydrophobicContact CB-CG 4.41Å; Q208-E216 PolarHBondContact OE1-OE1 3.48Å; K214-E216 VanDerWaalsContact CD-OE1 3.26Å; K214-E216 WeakPolarHBondContact CD-OE1 3.15Å; K214-E216 WeakPolarHBondContact CE-OE1 3.29Å; K214-E216 WeakPolarHBondContact CG-OE1 3.33Å; K214-E216 IonicContact NZ-OE1 2.83Å; K214-E216 PolarHBondContact NZ-OE1 2.89Å; K214-E216 IonicContact NZ-OE2 3.57Å; K214-E216 PolarHBondContact NZ-OE2 3Å; K214-E216 PolarHBondContact O-N 3.13Å; E216-V235 HydrophobicContact CB-CG2 4.18Å; E216-V235 HydrophobicContact CG-CG1 3.88Å; E216-V235 HydrophobicContact CG-CG2 4.12Å
217F97.9Very high93.5Very high14 Ų1450 Ų506%0.06124%0.242CC..EExtended strand (participates in β ladder)trans-160.9151.517057-91.2000111.3G205 L206 N221 F222 V228 A231 I232G205-F217 VanDerWaalsContact CA-CE2 3.5Å; G205-F217 VanDerWaalsContact CA-O 3.3Å; G205-F217 WeakPolarHBondContact CA-O 3.12Å; L206-F217 HydrophobicContact CB-CD1 3.92Å; L206-F217 HydrophobicContact CB-CE1 3.38Å; L206-F217 HydrophobicContact CB-CE2 4.16Å; L206-F217 HydrophobicContact CB-CZ 3.52Å; L206-F217 HydrophobicContact CD2-CE1 3.84Å; L206-F217 HydrophobicContact CD2-CZ 4.46Å; L206-F217 HydrophobicContact CG-CE1 4.27Å; L206-F217 PolarHBondContact N-O 3.14Å; L206-F217 PolarHBondContact O-N 3.16Å; F217-N221 HydrophobicContact CB-CB 4.06Å; F217-F222 HydrophobicContact CB-CE2 3.89Å; F217-F222 HydrophobicContact CD1-CE2 4.02Å; F217-F222 AromaticContact CD2-CD2 3.62Å; F217-F222 HydrophobicContact CD2-CD2 3.62Å; F217-F222 AromaticContact CD2-CE2 3.65Å; F217-F222 HydrophobicContact CD2-CE2 3.65Å; F217-F222 HydrophobicContact CE1-CE2 4.46Å; F217-F222 AromaticContact CE2-CD2 3.89Å; F217-F222 HydrophobicContact CE2-CD2 3.89Å; F217-F222 HydrophobicContact CE2-CE2 4.12Å; F217-F222 HydrophobicContact CG-CD2 4.08Å; F217-F222 AromaticContact CG-CE2 3.6Å; F217-F222 HydrophobicContact CG-CE2 3.6Å; F217-V228 HydrophobicContact CE2-CG1 4.46Å; F217-V228 HydrophobicContact CZ-CG1 4.29Å; F217-A231 HydrophobicContact CD1-CB 4.22Å; F217-A231 HydrophobicContact CE1-CB 3.94Å; F217-A231 HydrophobicContact CZ-CB 4.38Å; F217-I232 HydrophobicContact CE1-CG1 4.26Å; F217-I232 HydrophobicContact CZ-CG1 4Å
218Y98.1Very high93.4Very high86 Ų8650 Ų5034%0.33724%0.242SC..  trans-93.5172.9-179.7-62-86.1000112.5I215 K220 N221 F255 A260I215-Y218 HydrophobicContact CB-CE1 4.39Å; I215-Y218 HydrophobicContact CD1-CD1 4.45Å; I215-Y218 HydrophobicContact CD1-CE1 3.52Å; I215-Y218 HydrophobicContact CG1-CE1 4.48Å; I215-Y218 HydrophobicContact CG2-CD1 3.85Å; I215-Y218 HydrophobicContact CG2-CD2 4.17Å; I215-Y218 HydrophobicContact CG2-CE1 3.72Å; I215-Y218 HydrophobicContact CG2-CE2 4Å; I215-Y218 HydrophobicContact CG2-CG 4.09Å; Y218-K220 VanDerWaalsContact C-N 3.26Å; Y218-K220 PolarHBondContact O-N 3.16Å; Y218-N221 WeakPolarHBondContact CA-OD1 3.32Å; Y218-N221 WeakPolarHBondContact CB-OD1 3.48Å; Y218-N221 PolarHBondContact N-OD1 2.84Å; Y218-N221 WeakPolarHBondContact O-CB 3.12Å; Y218-N221 PolarHBondContact O-N 2.96Å; Y218-N221 VanDerWaalsContact O-N 3.15Å; Y218-N221 PolarHBondContact O-OD1 2.93Å; Y218-F255 HydrophobicContact CD1-CD2 4.03Å; Y218-F255 HydrophobicContact CD1-CE2 4.21Å; Y218-F255 HydrophobicContact CE1-CD2 4.45Å; Y218-A260 WeakPolarHBondContact CB-O 3.44Å; Y218-A260 HydrophobicContact CD1-CB 3.41Å; Y218-A260 VanDerWaalsContact CD1-CB 3.41Å; Y218-A260 HydrophobicContact CE1-CB 3.99Å; Y218-A260 HydrophobicContact CG-CB 4Å
219L96.4Very high93.4Very high1 Ų151.5 Ų51.51%0.00525%0.25CC..THydrogen-bonded Turntrans-55.9-36.4-179.1-61.7169.2000113.2D165 H203 F255 F256 A260 V262D165-L219 HydrophobicContact CB-CD1 3.8Å; D165-L219 HydrophobicContact CB-CD2 4.16Å; H203-L219 HydrophobicContact CB-CB 4.07Å; H203-L219 HydrophobicContact CB-CD2 4.01Å; H203-L219 WeakPolarHBondContact O-CD2 3.18Å; L219-F255 HydrophobicContact CD1-CE1 4.04Å; L219-F255 HydrophobicContact CD2-CE1 3.79Å; L219-F255 HydrophobicContact CD2-CZ 4.06Å; L219-F255 HydrophobicContact CG-CE1 3.61Å; L219-F255 HydrophobicContact CG-CZ 3.93Å; L219-F256 HydrophobicContact CD1-CD1 4.16Å; L219-F256 HydrophobicContact CD1-CE1 4.43Å; L219-A260 PolarHBondContact N-O 3.3Å; L219-V262 HydrophobicContact CD1-CB 4.07Å; L219-V262 HydrophobicContact CD1-CG2 4.33Å
220K94.1Very high93.5Very high131 Ų13157.2 Ų57.257%0.5728%0.275SS*.THydrogen-bonded Turntrans-78.3-13.6-178.469.2179.1-178.6-175.50115.2Y218 F222 D259 A260Y218-K220 VanDerWaalsContact C-N 3.26Å; Y218-K220 PolarHBondContact O-N 3.16Å; K220-F222 VanDerWaalsContact C-N 3.34Å; K220-F222 PolarHBondContact O-N 2.78Å; K220-D259 VanDerWaalsContact CD-O 3.28Å; K220-D259 WeakPolarHBondContact CD-O 3.29Å; K220-D259 WeakPolarHBondContact CE-O 3.05Å; K220-D259 PolarHBondContact NZ-O 2.8Å; K220-A260 PolarHBondContact N-O 3.44Å; K220-A260 VanDerWaalsContact N-O 3.17Å
221N93.8Very high93.8Very high81 Ų8158 Ų5843%0.43328%0.281SS..SBendtrans-70.3-29.8-168.8-77101.1000113.3F217 Y218F217-N221 HydrophobicContact CB-CB 4.06Å; Y218-N221 WeakPolarHBondContact CA-OD1 3.32Å; Y218-N221 WeakPolarHBondContact CB-OD1 3.48Å; Y218-N221 PolarHBondContact N-OD1 2.84Å; Y218-N221 WeakPolarHBondContact O-CB 3.12Å; Y218-N221 PolarHBondContact O-N 2.96Å; Y218-N221 VanDerWaalsContact O-N 3.15Å; Y218-N221 PolarHBondContact O-OD1 2.93Å
222F93.6Very high94.4Very high57 Ų5754.9 Ų54.925%0.2527%0.267CS..  trans-138.1138.6-176.2-57.1-69.6000111.6F217 K220 D227 V228 A231F217-F222 HydrophobicContact CB-CE2 3.89Å; F217-F222 HydrophobicContact CD1-CE2 4.02Å; F217-F222 AromaticContact CD2-CD2 3.62Å; F217-F222 HydrophobicContact CD2-CD2 3.62Å; F217-F222 AromaticContact CD2-CE2 3.65Å; F217-F222 HydrophobicContact CD2-CE2 3.65Å; F217-F222 HydrophobicContact CE1-CE2 4.46Å; F217-F222 AromaticContact CE2-CD2 3.89Å; F217-F222 HydrophobicContact CE2-CD2 3.89Å; F217-F222 HydrophobicContact CE2-CE2 4.12Å; F217-F222 HydrophobicContact CG-CD2 4.08Å; F217-F222 AromaticContact CG-CE2 3.6Å; F217-F222 HydrophobicContact CG-CE2 3.6Å; K220-F222 VanDerWaalsContact C-N 3.34Å; K220-F222 PolarHBondContact O-N 2.78Å; F222-D227 HydrophobicContact CB-CB 4.39Å; F222-D227 HydrophobicContact CD1-CB 3.71Å; F222-D227 HydrophobicContact CE1-CB 4.44Å; F222-D227 HydrophobicContact CG-CB 4.34Å; F222-V228 HydrophobicContact CB-CG2 3.47Å; F222-V228 VanDerWaalsContact CB-CG2 3.47Å; F222-V228 HydrophobicContact CD2-CG2 4.16Å; F222-V228 HydrophobicContact CG-CG2 4.06Å; F222-A231 HydrophobicContact CD2-CB 4.15Å; F222-A231 HydrophobicContact CE1-CB 4.16Å; F222-A231 HydrophobicContact CE2-CB 3.34Å; F222-A231 HydrophobicContact CZ-CB 3.35Å
223T88.3Confident94.6Very high75 Ų7554.6 Ų54.646%0.4626%0.264SS..SBendtrans-116.411.5179.662.40000112.8G198G198-T223 WeakPolarHBondContact CA-O 3.42Å
224S91.1Very high94.6Very high23 Ų2361.2 Ų61.216%0.16129%0.293CS..SBendtrans-139.8143175.81080000111.7K226 D227 V228S224-K226 PolarHBondContact O-N 3.12Å; S224-K226 PolarHBondContact OG-N 2.99Å; S224-D227 VanDerWaalsContact CB-OD2 3.26Å; S224-D227 WeakPolarHBondContact CB-OD2 3.29Å; S224-D227 PolarHBondContact O-N 3.05Å; S224-D227 VanDerWaalsContact OG-CG 3.23Å; S224-D227 PolarHBondContact OG-N 2.8Å; S224-D227 PolarHBondContact OG-OD2 2.79Å; S224-V228 PolarHBondContact O-N 2.92Å; S224-V228 VanDerWaalsContact O-N 3.12Å
225A92.3Very high94.5Very high15 Ų1557.4 Ų57.412%0.12428%0.277CS..Hα-helixtrans-61.8-27.6179.700000113.5L193 I197 L229L193-A225 HydrophobicContact CD2-CB 4.23Å; I197-A225 HydrophobicContact CB-CB 4.07Å; I197-A225 HydrophobicContact CD1-CB 4.17Å; I197-A225 HydrophobicContact CG1-CB 4.49Å; A225-L229 WeakPolarHBondContact O-CB 3.49Å; A225-L229 PolarHBondContact O-N 3.23Å
226K91Very high94.2Very high133 Ų13358.4 Ų58.458%0.57829%0.293SS*.Hα-helixtrans-70.1-43.5176.6-71.2-173178-175.20111.1S224 L229 F230S224-K226 PolarHBondContact O-N 3.12Å; S224-K226 PolarHBondContact OG-N 2.99Å; K226-L229 WeakPolarHBondContact O-CB 3.43Å; K226-L229 PolarHBondContact O-N 2.71Å; K226-F230 HydrophobicContact CB-CE2 4.48Å; K226-F230 WeakPolarHBondContact O-CD2 3.5Å; K226-F230 PolarHBondContact O-N 3.21Å
227D93.3Very high93.9Very high73 Ų7358.5 Ų58.539%0.3929%0.293SS..Hα-helixtrans-68.5-39.9-178.8-53.4-42.6000110.7F222 S224 L229 F230 A231F222-D227 HydrophobicContact CB-CB 4.39Å; F222-D227 HydrophobicContact CD1-CB 3.71Å; F222-D227 HydrophobicContact CE1-CB 4.44Å; F222-D227 HydrophobicContact CG-CB 4.34Å; S224-D227 VanDerWaalsContact CB-OD2 3.26Å; S224-D227 WeakPolarHBondContact CB-OD2 3.29Å; S224-D227 PolarHBondContact O-N 3.05Å; S224-D227 VanDerWaalsContact OG-CG 3.23Å; S224-D227 PolarHBondContact OG-N 2.8Å; S224-D227 PolarHBondContact OG-OD2 2.79Å; D227-L229 VanDerWaalsContact C-N 3.34Å; D227-L229 PolarHBondContact O-N 2.76Å; D227-F230 PolarHBondContact O-N 3.34Å; D227-A231 WeakPolarHBondContact O-CB 3.38Å; D227-A231 PolarHBondContact O-N 2.84Å
228V95.8Very high93.4Very high0 Ų062.7 Ų62.70%031%0.308CS..Hα-helixtrans-58.5-45.2170.7171.10000111.5A192 I197 V204 F217 F222 S224 F230 A231 I232A192-V228 HydrophobicContact CB-CG1 3.77Å; I197-V228 HydrophobicContact CD1-CB 4.16Å; I197-V228 HydrophobicContact CD1-CG1 4.15Å; I197-V228 HydrophobicContact CD1-CG2 4.06Å; V204-V228 HydrophobicContact CG2-CB 4.28Å; V204-V228 HydrophobicContact CG2-CG1 3.6Å; V204-V228 HydrophobicContact CG2-CG2 3.72Å; F217-V228 HydrophobicContact CE2-CG1 4.46Å; F217-V228 HydrophobicContact CZ-CG1 4.29Å; F222-V228 HydrophobicContact CB-CG2 3.47Å; F222-V228 VanDerWaalsContact CB-CG2 3.47Å; F222-V228 HydrophobicContact CD2-CG2 4.16Å; F222-V228 HydrophobicContact CG-CG2 4.06Å; S224-V228 PolarHBondContact O-N 2.92Å; S224-V228 VanDerWaalsContact O-N 3.12Å; V228-F230 VanDerWaalsContact C-N 3.33Å; V228-F230 PolarHBondContact O-N 3.5Å; V228-A231 PolarHBondContact O-N 3.39Å; V228-I232 HydrophobicContact CG1-CD1 3.63Å; V228-I232 HydrophobicContact CG1-CG1 4.28Å; V228-I232 VanDerWaalsContact O-CG1 3.26Å; V228-I232 WeakPolarHBondContact O-CG1 3.21Å; V228-I232 PolarHBondContact O-N 3.16Å
229L95.9Very high92.5Very high31 Ų3158.7 Ų58.716%0.16229%0.293CS..Hα-helixtrans-59.4-43.8176.9177.572.2000111.8L193 A225 K226 D227 K233L193-L229 HydrophobicContact CD1-CD1 4.4Å; L193-L229 HydrophobicContact CD1-CD2 3.96Å; L193-L229 HydrophobicContact CD2-CB 4.44Å; L193-L229 HydrophobicContact CD2-CD2 4.24Å; L193-L229 HydrophobicContact CG-CD2 4.3Å; A225-L229 WeakPolarHBondContact O-CB 3.49Å; A225-L229 PolarHBondContact O-N 3.23Å; K226-L229 WeakPolarHBondContact O-CB 3.43Å; K226-L229 PolarHBondContact O-N 2.71Å; D227-L229 VanDerWaalsContact C-N 3.34Å; D227-L229 PolarHBondContact O-N 2.76Å; L229-K233 WeakPolarHBondContact O-CG 3.43Å; L229-K233 PolarHBondContact O-N 2.79Å; L229-K233 VanDerWaalsContact O-N 3.08Å
230F93.9Very high91.8Very high121 Ų12159.4 Ų59.453%0.53130%0.301SS..Hα-helixtrans-63.4-46.9176.7-72.3-62.3000111.1K226 D227 V228 I232 K233 E234K226-F230 HydrophobicContact CB-CE2 4.48Å; K226-F230 WeakPolarHBondContact O-CD2 3.5Å; K226-F230 PolarHBondContact O-N 3.21Å; D227-F230 PolarHBondContact O-N 3.34Å; V228-F230 VanDerWaalsContact C-N 3.33Å; V228-F230 PolarHBondContact O-N 3.5Å; F230-I232 VanDerWaalsContact C-N 3.35Å; F230-I232 PolarHBondContact O-N 2.74Å; F230-K233 WeakPolarHBondContact O-CB 3.4Å; F230-K233 PolarHBondContact O-N 2.88Å; F230-E234 PolarHBondContact O-N 3.39Å
231A96.1Very high91.2Very high18 Ų1857.1 Ų57.115%0.14930%0.295CS..Hα-helixtrans-57.6-45.817700000112.2F217 F222 D227 V228 K233 E234 V235F217-A231 HydrophobicContact CD1-CB 4.22Å; F217-A231 HydrophobicContact CE1-CB 3.94Å; F217-A231 HydrophobicContact CZ-CB 4.38Å; F222-A231 HydrophobicContact CD2-CB 4.15Å; F222-A231 HydrophobicContact CE1-CB 4.16Å; F222-A231 HydrophobicContact CE2-CB 3.34Å; F222-A231 HydrophobicContact CZ-CB 3.35Å; D227-A231 WeakPolarHBondContact O-CB 3.38Å; D227-A231 PolarHBondContact O-N 2.84Å; V228-A231 PolarHBondContact O-N 3.39Å; A231-K233 VanDerWaalsContact C-N 3.29Å; A231-K233 PolarHBondContact O-N 2.93Å; A231-E234 PolarHBondContact O-N 3.33Å; A231-V235 WeakPolarHBondContact O-CG2 3.33Å; A231-V235 PolarHBondContact O-N 2.61Å
232I97.2Very high90.6Very high2 Ų253.3 Ų53.31%0.0128%0.275CS..Hα-helixtrans-58.9-41.3175.7-68.6162.6000110.8K185 V188 A192 L206 F217 V228 F230 E234 V235K185-I232 HydrophobicContact CB-CG2 3.93Å; K185-I232 WeakPolarHBondContact CD-O 3.47Å; K185-I232 HydrophobicContact CG-CG2 4.4Å; K185-I232 WeakPolarHBondContact O-CG2 3.42Å; V188-I232 HydrophobicContact CG1-CD1 3.94Å; A192-I232 HydrophobicContact CB-CD1 4.21Å; L206-I232 HydrophobicContact CD2-CG1 4.34Å; F217-I232 HydrophobicContact CE1-CG1 4.26Å; F217-I232 HydrophobicContact CZ-CG1 4Å; V228-I232 HydrophobicContact CG1-CD1 3.63Å; V228-I232 HydrophobicContact CG1-CG1 4.28Å; V228-I232 VanDerWaalsContact O-CG1 3.26Å; V228-I232 WeakPolarHBondContact O-CG1 3.21Å; V228-I232 PolarHBondContact O-N 3.16Å; F230-I232 VanDerWaalsContact C-N 3.35Å; F230-I232 PolarHBondContact O-N 2.74Å; I232-E234 VanDerWaalsContact C-N 3.31Å; I232-E234 PolarHBondContact O-N 3.31Å; I232-V235 WeakPolarHBondContact O-CB 3.21Å; I232-V235 PolarHBondContact O-N 2.86Å
233K93.4Very high90.4Very high104 Ų10451.8 Ų51.845%0.45227%0.269SS..Hα-helixtrans-62-38.8-180-76.1174.8177.2-176.80112.5K185 L229 F230 A231 V235K185-K233 PolarHBondContact NZ-O 3.5Å; L229-K233 WeakPolarHBondContact O-CG 3.43Å; L229-K233 PolarHBondContact O-N 2.79Å; L229-K233 VanDerWaalsContact O-N 3.08Å; F230-K233 WeakPolarHBondContact O-CB 3.4Å; F230-K233 PolarHBondContact O-N 2.88Å; A231-K233 VanDerWaalsContact C-N 3.29Å; A231-K233 PolarHBondContact O-N 2.93Å; K233-V235 VanDerWaalsContact C-N 3.27Å; K233-V235 PolarHBondContact O-N 2.89Å
234E93.8Very high90.5Very high161 Ų16148.2 Ų48.275%0.75225%0.248SC*.Hα-helixtrans-74-13.1-179.2-61.9-50.4122.200114.2F230 A231 I232 G236F230-E234 PolarHBondContact O-N 3.39Å; A231-E234 PolarHBondContact O-N 3.33Å; I232-E234 VanDerWaalsContact C-N 3.31Å; I232-E234 PolarHBondContact O-N 3.31Å; E234-G236 PolarHBondContact O-N 3.26Å
235V93.9Very high90.6Very high9 Ų947.3 Ų47.36%0.05524%0.241CC..PPolyproline II helixtrans-63123.3-178.71740000111I170 F181 K185 L206 E216 A231 I232 K233I170-V235 HydrophobicContact CD1-CG1 4.4Å; F181-V235 HydrophobicContact CZ-CG1 4.08Å; K185-V235 HydrophobicContact CD-CB 4.15Å; K185-V235 PolarHBondContact NZ-O 2.87Å; L206-V235 HydrophobicContact CD2-CB 4.3Å; L206-V235 HydrophobicContact CD2-CG1 4.26Å; L206-V235 HydrophobicContact CD2-CG2 3.49Å; L206-V235 VanDerWaalsContact CD2-CG2 3.49Å; E216-V235 HydrophobicContact CB-CG2 4.18Å; E216-V235 HydrophobicContact CG-CG1 3.88Å; E216-V235 HydrophobicContact CG-CG2 4.12Å; A231-V235 WeakPolarHBondContact O-CG2 3.33Å; A231-V235 PolarHBondContact O-N 2.61Å; I232-V235 WeakPolarHBondContact O-CB 3.21Å; I232-V235 PolarHBondContact O-N 2.86Å; K233-V235 VanDerWaalsContact C-N 3.27Å; K233-V235 PolarHBondContact O-N 2.89Å
236G91.8Very high90.7Very high44 Ų4450.9 Ų50.945%0.45425%0.254SS..PPolyproline II helixtrans-74.7152.5178.800000113.5F181 Q208 E234F181-G236 WeakPolarHBondContact CZ-O 3.37Å; Q208-G236 PolarHBondContact NE2-O 2.81Å; Q208-G236 PolarHBondContact OE1-O 3.35Å; E234-G236 PolarHBondContact O-N 3.26Å
237F90.8Very high90.9Very high50 Ų5044.5 Ų44.522%0.21923%0.227CC..PPolyproline II helixtrans-79.1132.8169.1177.6-111.9000109.6G172 S173 F174 I176 Q178 F181G172-F237 VanDerWaalsContact O-CE2 3.29Å; G172-F237 WeakPolarHBondContact O-CE2 3.4Å; S173-F237 WeakPolarHBondContact O-CE2 3.31Å; S173-F237 WeakPolarHBondContact O-CZ 3.16Å; F174-F237 HydrophobicContact CD1-CE1 4.02Å; F174-F237 HydrophobicContact CD1-CZ 4.08Å; F174-F237 HydrophobicContact CE1-CE1 4.18Å; I176-F237 HydrophobicContact CG2-CE2 4.32Å; Q178-F237 VanDerWaalsContact OE1-CG 3.25Å; F181-F237 HydrophobicContact CB-CD2 3.83Å; F181-F237 HydrophobicContact CB-CE2 4.25Å; F181-F237 HydrophobicContact CD1-CB 3.79Å; F181-F237 AromaticContact CD1-CD2 3.83Å; F181-F237 HydrophobicContact CD1-CD2 3.83Å; F181-F237 HydrophobicContact CD1-CG 4.27Å; F181-F237 HydrophobicContact CD2-CD2 4.14Å; F181-F237 HydrophobicContact CE1-CB 3.92Å; F181-F237 HydrophobicContact CE1-CD2 4.39Å; F181-F237 HydrophobicContact CG-CB 4.5Å; F181-F237 AromaticContact CG-CD2 3.67Å; F181-F237 HydrophobicContact CG-CD2 3.67Å; F181-F237 HydrophobicContact CG-CE2 4.44Å
238R86.3Confident91.1Very high101 Ų10141.1 Ų41.138%0.38121%0.208SC..  trans-104.9-28.4-173.4-71.5-176.574.2-148.51.4114.5S210 H212S210-R238 PolarHBondContact OG-NH1 2.77Å; H212-R238 PolarHBondContact O-NH1 2.03Å
239G80.7Confident91Very high2 Ų244 Ų442%0.02122%0.221CC..  trans70.4-160.6-172.900000113G172 F174 S210G172-G239 WeakPolarHBondContact O-CA 3.34Å; G172-G239 PolarHBondContact O-N 3.15Å; F174-G239 VanDerWaalsContact CD1-CA 3.47Å; S210-G239 WeakPolarHBondContact CB-O 3.42Å
240G80.5Confident91Very high17 Ų1744.8 Ų44.818%0.17522%0.224CC..SBendtrans84.4-171.3-174.200000113.7S173 F174S173-G240 WeakPolarHBondContact CA-O 3.36Å; S173-G240 VanDerWaalsContact CB-O 3.32Å; S173-G240 WeakPolarHBondContact CB-O 3.2Å; F174-G240 PolarHBondContact N-O 3.38Å
241N81.6Confident91.2Very high82 Ų8239 Ų3944%0.43920%0.198SC..  trans-73.1159.4177.5-67.3-39.3000112.7S210 E211 N243S210-N241 CarbonylContact C-O 3.57Å; S210-N241 WeakPolarHBondContact CA-O 3.37Å; E211-N241 PolarHBondContact N-O 2.89Å; E211-N241 VanDerWaalsContact N-O 3.14Å; E211-N241 WeakPolarHBondContact OE2-CB 2.98Å; E211-N241 PolarHBondContact OE2-N 2.82Å; E211-N241 PolarHBondContact OE2-ND2 3.32Å; N241-N243 PolarHBondContact O-N 3.24Å
242S81.9Confident91.1Very high2 Ų238.2 Ų38.21%0.01419%0.192CC..  trans-90.268.2176.8-166.70000111.1D171 T244 S279D171-S242 PolarHBondContact OD2-OG 2.96Å; S242-T244 PolarHBondContact O-N 3.46Å; S242-T244 PolarHBondContact OG-OG1 2.97Å; S242-S279 PolarHBondContact O-N 3.39Å
243N88.6Confident90.9Very high24 Ų2442.2 Ų42.213%0.12821%0.21CC..  trans-80.669.4178.7-60.1-22.4000110.4S210 E211 N241 K246 A247 D280S210-N243 WeakPolarHBondContact O-CB 3.49Å; E211-N243 PolarHBondContact O-ND2 3.13Å; E211-N243 VanDerWaalsContact O-ND2 3.08Å; E211-N243 PolarHBondContact OE1-ND2 2.92Å; N241-N243 PolarHBondContact O-N 3.24Å; N243-K246 HydrophobicContact CB-CB 3.94Å; N243-K246 HydrophobicContact CB-CD 4.26Å; N243-A247 WeakPolarHBondContact O-CB 3.41Å; N243-A247 PolarHBondContact O-N 3.01Å; N243-A247 VanDerWaalsContact O-N 3.07Å; N243-D280 VanDerWaalsContact C-OD2 3.24Å; N243-D280 WeakPolarHBondContact CA-OD2 3.07Å
244T91.6Very high91Very high1 Ų143.1 Ų43.11%0.00621%0.214CC..Hα-helixtrans-70.6-40.1-174-61.10000111.5L169 S242 A247 L248 V272 I274 D280 I282L169-T244 HydrophobicContact CD2-CG2 4.49Å; S242-T244 PolarHBondContact O-N 3.46Å; S242-T244 PolarHBondContact OG-OG1 2.97Å; T244-A247 PolarHBondContact O-N 3.24Å; T244-L248 WeakPolarHBondContact O-CB 3.39Å; T244-L248 PolarHBondContact O-N 3.15Å; T244-V272 HydrophobicContact CG2-CG1 3.47Å; T244-V272 VanDerWaalsContact CG2-CG1 3.47Å; T244-I274 HydrophobicContact CG2-CD1 4.09Å; T244-I274 HydrophobicContact CG2-CG1 4.21Å; T244-D280 PolarHBondContact N-OD1 3.04Å; T244-D280 PolarHBondContact N-OD2 3.32Å; T244-I282 HydrophobicContact CG2-CD1 3.65Å
245G93Very high91.1Very high3 Ų335.4 Ų35.43%0.03118%0.179CC..Hα-helixtrans-60.3-49.4174.600000111.6A247 L248 K249 D280 A285G245-A247 VanDerWaalsContact C-N 3.28Å; G245-A247 PolarHBondContact O-N 2.93Å; G245-L248 PolarHBondContact O-N 3.29Å; G245-K249 WeakPolarHBondContact O-CB 3.37Å; G245-K249 PolarHBondContact O-N 3.14Å; G245-D280 WeakPolarHBondContact CA-OD2 3.4Å; G245-D280 VanDerWaalsContact N-CG 3.28Å; G245-D280 PolarHBondContact N-OD1 3.22Å; G245-D280 PolarHBondContact N-OD2 3.25Å; G245-A285 WeakPolarHBondContact O-CB 3.43Å
246K93.6Very high91.2Very high90 Ų9035.9 Ų35.939%0.39118%0.18SC..Hα-helixtrans-55.9-42.1173.8-172.9-179.3180-1770112E211 P213 N243 H250 D280E211-K246 PolarHBondContact O-NZ 3.36Å; P213-K246 HydrophobicContact CG-CG 4.45Å; N243-K246 HydrophobicContact CB-CB 3.94Å; N243-K246 HydrophobicContact CB-CD 4.26Å; K246-H250 VanDerWaalsContact O-CB 3.3Å; K246-H250 WeakPolarHBondContact O-CB 3.39Å; K246-H250 PolarHBondContact O-N 3.36Å; K246-D280 PolarHBondContact N-OD2 2.94Å
247A95.5Very high91.2Very high0 Ų036.3 Ų36.30%017%0.174CC..Hα-helixtrans-68.7-39.6178.300000113.1L169 A209 P213 N243 T244 G245 H250 T251L169-A247 HydrophobicContact CD1-CB 3.91Å; L169-A247 HydrophobicContact CD2-CB 4.3Å; L169-A247 HydrophobicContact CG-CB 4.32Å; A209-A247 HydrophobicContact CB-CB 3.61Å; P213-A247 HydrophobicContact CB-CB 3.81Å; N243-A247 WeakPolarHBondContact O-CB 3.41Å; N243-A247 PolarHBondContact O-N 3.01Å; N243-A247 VanDerWaalsContact O-N 3.07Å; T244-A247 PolarHBondContact O-N 3.24Å; G245-A247 VanDerWaalsContact C-N 3.28Å; G245-A247 PolarHBondContact O-N 2.93Å; A247-H250 PolarHBondContact O-N 3.21Å; A247-T251 WeakPolarHBondContact O-CB 3.41Å; A247-T251 PolarHBondContact O-N 3.02Å; A247-T251 PolarHBondContact O-OG1 3.19Å
248L96.7Very high91.1Very high1 Ų139.8 Ų39.81%0.00520%0.199CC..Hα-helixtrans-64.6-47.7176.5175.259.7000110.8L169 T244 G245 H250 T251 A252 V270 V272 I282 A285 A289 V296L169-L248 HydrophobicContact CD1-CB 4.15Å; T244-L248 WeakPolarHBondContact O-CB 3.39Å; T244-L248 PolarHBondContact O-N 3.15Å; G245-L248 PolarHBondContact O-N 3.29Å; L248-H250 PolarHBondContact O-N 3.32Å; L248-T251 PolarHBondContact O-N 2.96Å; L248-T251 VanDerWaalsContact O-N 3.16Å; L248-A252 PolarHBondContact O-N 2.77Å; L248-V270 HydrophobicContact CD1-CB 4.15Å; L248-V270 HydrophobicContact CD1-CG1 3.81Å; L248-V270 HydrophobicContact CD1-CG2 4.35Å; L248-V272 HydrophobicContact CD1-CG2 4.21Å; L248-I282 HydrophobicContact CD2-CG2 3.82Å; L248-A285 HydrophobicContact CB-CB 3.98Å; L248-A285 HydrophobicContact CD2-CB 3.92Å; L248-A285 HydrophobicContact CG-CB 4.01Å; L248-A289 HydrophobicContact CD1-CB 4.38Å; L248-V296 HydrophobicContact CD1-CG1 4.26Å; L248-V296 HydrophobicContact CD1-CG2 3.97Å; L248-V296 HydrophobicContact CD2-CG1 4.05Å; L248-V296 HydrophobicContact CD2-CG2 4.26Å
249K95.1Very high91.4Very high62 Ų6241.2 Ų41.227%0.2721%0.214SC..Hα-helixtrans-58.2-47.1175.6-174170.6-179.4172.30111.5G245 T251 A252 Q253 E284 A285 V288G245-K249 WeakPolarHBondContact O-CB 3.37Å; G245-K249 PolarHBondContact O-N 3.14Å; K249-T251 VanDerWaalsContact C-N 3.32Å; K249-T251 PolarHBondContact O-N 2.54Å; K249-A252 PolarHBondContact O-N 2.73Å; K249-Q253 WeakPolarHBondContact O-CB 3.27Å; K249-Q253 WeakPolarHBondContact O-CG 3.36Å; K249-Q253 PolarHBondContact O-N 3.04Å; K249-Q253 VanDerWaalsContact O-N 3.09Å; K249-E284 IonicContact NZ-OE1 2.84Å; K249-E284 PolarHBondContact NZ-OE1 2.88Å; K249-A285 HydrophobicContact CB-CB 4.1Å; K249-V288 HydrophobicContact CD-CG2 4.39Å; K249-V288 HydrophobicContact CG-CB 4.39Å; K249-V288 HydrophobicContact CG-CG1 4.13Å; K249-V288 HydrophobicContact CG-CG2 4.4Å
250H95.9Very high92Very high46 Ų4641.3 Ų41.321%0.21322%0.215CC..Hα-helixtrans-58.8-42.5175.8-178.890.1000112.4P213 K246 A247 L248 K254P213-H250 HydrophobicContact CB-CB 4.16Å; P213-H250 HydrophobicContact CG-CB 3.67Å; K246-H250 VanDerWaalsContact O-CB 3.3Å; K246-H250 WeakPolarHBondContact O-CB 3.39Å; K246-H250 PolarHBondContact O-N 3.36Å; A247-H250 PolarHBondContact O-N 3.21Å; L248-H250 PolarHBondContact O-N 3.32Å; H250-K254 WeakPolarHBondContact O-CB 3.34Å; H250-K254 PolarHBondContact O-N 3.25Å
251T97.4Very high92.5Very high0 Ų041.3 Ų41.30%022%0.215CC..Hα-helixtrans-65.3-49.1179.1-55.90000110.6A167 V207 A247 L248 K249 Q253 F255 F256 V270A167-T251 HydrophobicContact CB-CG2 3.72Å; V207-T251 HydrophobicContact CG2-CG2 4.08Å; A247-T251 WeakPolarHBondContact O-CB 3.41Å; A247-T251 PolarHBondContact O-N 3.02Å; A247-T251 PolarHBondContact O-OG1 3.19Å; L248-T251 PolarHBondContact O-N 2.96Å; L248-T251 VanDerWaalsContact O-N 3.16Å; K249-T251 VanDerWaalsContact C-N 3.32Å; K249-T251 PolarHBondContact O-N 2.54Å; T251-Q253 VanDerWaalsContact C-N 3.27Å; T251-Q253 PolarHBondContact O-N 3.29Å; T251-F255 HydrophobicContact CG2-CB 3.76Å; T251-F255 HydrophobicContact CG2-CD1 4.48Å; T251-F255 HydrophobicContact CG2-CG 4.09Å; T251-F255 WeakPolarHBondContact O-CB 3.36Å; T251-F255 PolarHBondContact O-N 2.96Å; T251-F256 HydrophobicContact CG2-CE2 4.25Å; T251-V270 HydrophobicContact CG2-CG1 4.47Å; T251-V270 HydrophobicContact CG2-CG2 3.77Å
252A94.8Very high93Very high2 Ų238.8 Ų38.82%0.01720%0.202CC..Hα-helixtrans-56.2-42178.500000112.5L248 K249 V288 A289 F292 V294L248-A252 PolarHBondContact O-N 2.77Å; K249-A252 PolarHBondContact O-N 2.73Å; A252-V288 HydrophobicContact CB-CG1 4.48Å; A252-A289 HydrophobicContact CB-CB 4.11Å; A252-F292 HydrophobicContact CB-CB 4.45Å; A252-F292 WeakPolarHBondContact O-CD1 3.25Å; A252-V294 HydrophobicContact CB-CG2 4.46Å
253Q92.5Very high93.3Very high85 Ų8541.2 Ų41.240%0.39721%0.211SC..Hα-helixtrans-81.9-35.8-175.2-67.8177-28.600114.2K249 T251 V288 F292K249-Q253 WeakPolarHBondContact O-CB 3.27Å; K249-Q253 WeakPolarHBondContact O-CG 3.36Å; K249-Q253 PolarHBondContact O-N 3.04Å; K249-Q253 VanDerWaalsContact O-N 3.09Å; T251-Q253 VanDerWaalsContact C-N 3.27Å; T251-Q253 PolarHBondContact O-N 3.29Å; Q253-V288 HydrophobicContact CG-CG1 3.96Å; Q253-F292 HydrophobicContact CB-CZ 4.48Å; Q253-F292 HydrophobicContact CG-CE2 3.97Å; Q253-F292 HydrophobicContact CG-CZ 3.96Å
254K94.6Very high93Very high123 Ų12346.3 Ų46.354%0.53523%0.232SC..Hα-helixtrans-117.5-20.2-167.6-58.8-163.6-178.1-173.10115.3H250H250-K254 WeakPolarHBondContact O-CB 3.34Å; H250-K254 PolarHBondContact O-N 3.25Å
255F97.4Very high92.3Very high0 Ų049.6 Ų49.60%027%0.266CS..THydrogen-bonded Turntrans-83.8-40.5-174.3-177.2-86000112.4A167 V207 I215 Y218 L219 T251 T257 A260A167-F255 HydrophobicContact CB-CD1 3.78Å; A167-F255 HydrophobicContact CB-CE1 3.59Å; A167-F255 HydrophobicContact CB-CE2 4.4Å; A167-F255 HydrophobicContact CB-CG 4.28Å; A167-F255 HydrophobicContact CB-CZ 3.93Å; V207-F255 HydrophobicContact CG2-CD2 3.7Å; V207-F255 HydrophobicContact CG2-CE2 4.04Å; V207-F255 HydrophobicContact CG2-CG 4.46Å; I215-F255 HydrophobicContact CD1-CB 4.35Å; I215-F255 HydrophobicContact CD1-CD2 4.19Å; I215-F255 HydrophobicContact CG1-CD2 4.29Å; I215-F255 HydrophobicContact CG2-CD2 3.85Å; I215-F255 HydrophobicContact CG2-CE2 4Å; Y218-F255 HydrophobicContact CD1-CD2 4.03Å; Y218-F255 HydrophobicContact CD1-CE2 4.21Å; Y218-F255 HydrophobicContact CE1-CD2 4.45Å; L219-F255 HydrophobicContact CD1-CE1 4.04Å; L219-F255 HydrophobicContact CD2-CE1 3.79Å; L219-F255 HydrophobicContact CD2-CZ 4.06Å; L219-F255 HydrophobicContact CG-CE1 3.61Å; L219-F255 HydrophobicContact CG-CZ 3.93Å; T251-F255 HydrophobicContact CG2-CB 3.76Å; T251-F255 HydrophobicContact CG2-CD1 4.48Å; T251-F255 HydrophobicContact CG2-CG 4.09Å; T251-F255 WeakPolarHBondContact O-CB 3.36Å; T251-F255 PolarHBondContact O-N 2.96Å; F255-T257 VanDerWaalsContact C-N 3.3Å; F255-T257 PolarHBondContact O-N 2.95Å; F255-T257 VanDerWaalsContact O-N 3.12Å; F255-A260 WeakPolarHBondContact O-CB 3.32Å
256F94.8Very high92.1Very high18 Ų1851.2 Ų51.28%0.07927%0.273CS..SBendtrans-90.858.9-175.6-63-73.9000112.7D165 A167 L219 T251 V262 K268 V269 V270 V294D165-F256 HydrophobicContact CB-CE1 4.38Å; D165-F256 WeakPolarHBondContact O-CE1 3.39Å; A167-F256 HydrophobicContact CB-CE2 4.36Å; A167-F256 HydrophobicContact CB-CZ 3.8Å; L219-F256 HydrophobicContact CD1-CD1 4.16Å; L219-F256 HydrophobicContact CD1-CE1 4.43Å; T251-F256 HydrophobicContact CG2-CE2 4.25Å; F256-V262 HydrophobicContact CB-CB 4.5Å; F256-V262 HydrophobicContact CB-CG2 4.14Å; F256-V262 HydrophobicContact CD1-CG2 4.02Å; F256-K268 HydrophobicContact CB-CD 3.53Å; F256-K268 HydrophobicContact CB-CG 4.31Å; F256-K268 HydrophobicContact CD1-CB 3.93Å; F256-K268 HydrophobicContact CD1-CD 3.94Å; F256-K268 HydrophobicContact CD1-CG 3.76Å; F256-K268 HydrophobicContact CD2-CB 4.39Å; F256-K268 HydrophobicContact CD2-CD 4.33Å; F256-K268 HydrophobicContact CE1-CB 3.96Å; F256-K268 HydrophobicContact CE1-CG 4.24Å; F256-K268 HydrophobicContact CE2-CB 4.4Å; F256-K268 HydrophobicContact CG-CB 4.16Å; F256-K268 HydrophobicContact CG-CD 3.68Å; F256-K268 HydrophobicContact CG-CG 4.01Å; F256-K268 HydrophobicContact CZ-CB 4.2Å; F256-V269 WeakPolarHBondContact CZ-O 3.29Å; F256-V270 HydrophobicContact CE2-CG2 3.6Å; F256-V270 HydrophobicContact CZ-CG2 3.94Å; F256-V294 HydrophobicContact CD2-CG2 3.86Å; F256-V294 HydrophobicContact CE2-CG1 3.87Å; F256-V294 HydrophobicContact CE2-CG2 4.04Å; F256-V294 HydrophobicContact CZ-CG1 4.49Å
257T91.9Very high92Very high53 Ų5347.1 Ų47.133%0.32526%0.256SS..  trans-103.4155.9174.764.50000110.9F255 D259 A260 G261 V262F255-T257 VanDerWaalsContact C-N 3.3Å; F255-T257 PolarHBondContact O-N 2.95Å; F255-T257 VanDerWaalsContact O-N 3.12Å; T257-D259 PolarHBondContact O-N 3.08Å; T257-A260 WeakPolarHBondContact O-CB 3.49Å; T257-A260 PolarHBondContact O-N 2.75Å; T257-A260 WeakPolarHBondContact OG1-CB 3.3Å; T257-A260 PolarHBondContact OG1-N 3.27Å; T257-G261 PolarHBondContact O-N 3.29Å; T257-V262 VanDerWaalsContact O-CG1 3.29Å; T257-V262 WeakPolarHBondContact O-CG1 3.17Å; T257-V262 PolarHBondContact O-N 3Å
258V88.9Confident91.9Very high123 Ų12349.5 Ų49.575%0.74527%0.266SS*.G310 helixtrans-56.7-43176.6179.80000110.1A260 G261V258-A260 PolarHBondContact O-N 2.9Å; V258-G261 PolarHBondContact O-N 2.81Å
259D91.7Very high91.9Very high132 Ų13249.4 Ų49.471%0.70627%0.266SS*.G310 helixtrans-65.1-26177-65.7-35.8000113.5K220 T257 G261K220-D259 VanDerWaalsContact CD-O 3.28Å; K220-D259 WeakPolarHBondContact CD-O 3.29Å; K220-D259 WeakPolarHBondContact CE-O 3.05Å; K220-D259 PolarHBondContact NZ-O 2.8Å; T257-D259 PolarHBondContact O-N 3.08Å; D259-G261 VanDerWaalsContact C-N 3.3Å
260A93.9Very high92.1Very high4 Ų446.5 Ų46.53%0.03325%0.253CS..G310 helixtrans-81.5-7.8174.500000113.5Y218 L219 K220 F255 T257 V258Y218-A260 WeakPolarHBondContact CB-O 3.44Å; Y218-A260 HydrophobicContact CD1-CB 3.41Å; Y218-A260 VanDerWaalsContact CD1-CB 3.41Å; Y218-A260 HydrophobicContact CE1-CB 3.99Å; Y218-A260 HydrophobicContact CG-CB 4Å; L219-A260 PolarHBondContact N-O 3.3Å; K220-A260 PolarHBondContact N-O 3.44Å; K220-A260 VanDerWaalsContact N-O 3.17Å; F255-A260 WeakPolarHBondContact O-CB 3.32Å; T257-A260 WeakPolarHBondContact O-CB 3.49Å; T257-A260 PolarHBondContact O-N 2.75Å; T257-A260 WeakPolarHBondContact OG1-CB 3.3Å; T257-A260 PolarHBondContact OG1-N 3.27Å; V258-A260 PolarHBondContact O-N 2.9Å
261G91.2Very high92.2Very high17 Ų1744.3 Ų44.318%0.17524%0.243CC..THydrogen-bonded Turntrans9620.9177.600000115.1T257 V258 D259T257-G261 PolarHBondContact O-N 3.29Å; V258-G261 PolarHBondContact O-N 2.81Å; D259-G261 VanDerWaalsContact C-N 3.3Å
262V92.6Very high92.1Very high28 Ų2844.3 Ų44.317%0.1724%0.243CC..  trans-66.8142.5169.779.90000110.5D165 L219 F256 T257 K268D165-V262 HydrophobicContact CB-CG2 4.43Å; D165-V262 WeakPolarHBondContact OD2-CA 3.46Å; D165-V262 WeakPolarHBondContact OD2-CG2 3.21Å; L219-V262 HydrophobicContact CD1-CB 4.07Å; L219-V262 HydrophobicContact CD1-CG2 4.33Å; F256-V262 HydrophobicContact CB-CB 4.5Å; F256-V262 HydrophobicContact CB-CG2 4.14Å; F256-V262 HydrophobicContact CD1-CG2 4.02Å; T257-V262 VanDerWaalsContact O-CG1 3.29Å; T257-V262 WeakPolarHBondContact O-CG1 3.17Å; T257-V262 PolarHBondContact O-N 3Å; V262-K268 HydrophobicContact CG2-CD 4.04Å; V262-K268 HydrophobicContact CG2-CG 3.98Å
263R88.4Confident92.1Very high54 Ų5444.2 Ų44.220%0.20424%0.242CC..  trans-105.7134.9-177.4-64.1177.8-69.9177.60.3110.6A164 D165 G201 G265 I266A164-R263 PolarHBondContact O-NH2 3.37Å; A164-R263 VanDerWaalsContact O-NH2 3.15Å; D165-R263 IonicContact OD1-CZ 2.76Å; D165-R263 IonicContact OD1-NE 2.77Å; D165-R263 PolarHBondContact OD1-NE 3.29Å; D165-R263 IonicContact OD1-NH2 3.7Å; D165-R263 PolarHBondContact OD1-NH2 2.89Å; D165-R263 PolarHBondContact OD2-N 2.71Å; D165-R263 IonicContact OD2-NE 3.22Å; G201-R263 PolarHBondContact O-NH1 3.09Å; G201-R263 PolarHBondContact O-NH2 3.39Å; R263-G265 PolarHBondContact O-N 2.84Å; R263-I266 HydrophobicContact CB-CB 4Å; R263-I266 HydrophobicContact CB-CG1 3.55Å; R263-I266 PolarHBondContact O-N 3.14Å
264K82.1Confident91.9Very high131 Ų13140.3 Ų40.357%0.5722%0.224SC*.THydrogen-bonded Turntrans-62.9136177.2-171.2173-179.7173.90110.1I266 L546K264-I266 PolarHBondContact O-N 3.16Å; K264-L546 PolarHBondContact NZ-O 3.2Å
265G76.9Confident91.5Very high69 Ų6935.4 Ų35.471%0.71120%0.203SC*.THydrogen-bonded Turntrans73.52.3178.600000115.2R263R263-G265 PolarHBondContact O-N 2.84Å
266I87.5Confident90.5Very high37 Ų3736.2 Ų36.219%0.1921%0.212CC..SBendtrans-96.5134175.7-58.2-47.5000109.4K163 A164 D165 R263 K264 K268K163-I266 HydrophobicContact CB-CD1 4.05Å; K163-I266 HydrophobicContact CD-CD1 4.34Å; A164-I266 VanDerWaalsContact CA-CG2 3.47Å; D165-I266 HydrophobicContact CB-CG2 4.39Å; R263-I266 HydrophobicContact CB-CB 4Å; R263-I266 HydrophobicContact CB-CG1 3.55Å; R263-I266 PolarHBondContact O-N 3.14Å; K264-I266 PolarHBondContact O-N 3.16Å; I266-K268 PolarHBondContact O-N 2.92Å
267P91.3Very high89.6Confident4 Ų438.2 Ų38.23%0.02622%0.219CC..PPolyproline II helixtrans-56.2130.5176.6-26.133.7000111.9K163 D165 V269 H353 M356K163-P267 WeakPolarHBondContact O-CD 3.41Å; D165-P267 PolarHBondContact N-O 2.85Å; P267-V269 HydrophobicContact CB-CG2 4.28Å; P267-H353 WeakPolarHBondContact CD-ND1 3.32Å; P267-H353 VanDerWaalsContact CG-CE1 3.43Å; P267-H353 WeakPolarHBondContact CG-CE1 3.22Å; P267-H353 WeakPolarHBondContact CG-ND1 3.45Å; P267-M356 HydrophobicContact CB-CB 4.12Å; P267-M356 HydrophobicContact CB-CG 4Å; P267-M356 HydrophobicContact CG-CB 4.31Å; P267-M356 HydrophobicContact CG-CG 4.19Å
268K94.6Very high89Confident50 Ų5036.3 Ų36.322%0.21721%0.207CC..EExtended strand (participates in β ladder)trans-86.2127.1169.1-63.1179.9-69.9-168.10108F256 V262 I266 F292 G293 V294 N295F256-K268 HydrophobicContact CB-CD 3.53Å; F256-K268 HydrophobicContact CB-CG 4.31Å; F256-K268 HydrophobicContact CD1-CB 3.93Å; F256-K268 HydrophobicContact CD1-CD 3.94Å; F256-K268 HydrophobicContact CD1-CG 3.76Å; F256-K268 HydrophobicContact CD2-CB 4.39Å; F256-K268 HydrophobicContact CD2-CD 4.33Å; F256-K268 HydrophobicContact CE1-CB 3.96Å; F256-K268 HydrophobicContact CE1-CG 4.24Å; F256-K268 HydrophobicContact CE2-CB 4.4Å; F256-K268 HydrophobicContact CG-CB 4.16Å; F256-K268 HydrophobicContact CG-CD 3.68Å; F256-K268 HydrophobicContact CG-CG 4.01Å; F256-K268 HydrophobicContact CZ-CB 4.2Å; V262-K268 HydrophobicContact CG2-CD 4.04Å; V262-K268 HydrophobicContact CG2-CG 3.98Å; I266-K268 PolarHBondContact O-N 2.92Å; K268-F292 WeakPolarHBondContact CE-O 3.44Å; K268-F292 PolarHBondContact NZ-O 3.18Å; K268-G293 WeakPolarHBondContact CE-O 3.41Å; K268-V294 HydrophobicContact CB-CG2 4.08Å; K268-V294 HydrophobicContact CD-CG2 4.41Å; K268-N295 WeakPolarHBondContact O-CB 3.36Å; K268-N295 PolarHBondContact O-N 3.45Å; K268-N295 PolarHBondContact O-ND2 3.47Å
269V97.1Very high88.5Confident0 Ų032.8 Ų32.80%019%0.188CC..EExtended strand (participates in β ladder)trans-131.6128.9-175.7-173.40000109.4A164 D165 I166 A167 F256 P267 V271 N295 F297 L350 M356A164-V269 HydrophobicContact CB-CG2 4.24Å; D165-V269 PolarHBondContact O-N 2.8Å; I166-V269 CarbonylContact C-O 3.56Å; I166-V269 VanDerWaalsContact CA-O 3.31Å; I166-V269 WeakPolarHBondContact CA-O 3.39Å; I166-V269 HydrophobicContact CG1-CB 4.25Å; A167-V269 PolarHBondContact N-O 3.26Å; F256-V269 WeakPolarHBondContact CZ-O 3.29Å; P267-V269 HydrophobicContact CB-CG2 4.28Å; V269-V271 HydrophobicContact CG1-CG2 4.15Å; V269-N295 CarbonylContact C-O 3.41Å; V269-N295 WeakPolarHBondContact CA-O 3.3Å; V269-N295 HydrophobicContact CG2-CB 4.37Å; V269-F297 HydrophobicContact CG1-CD2 3.57Å; V269-F297 HydrophobicContact CG1-CE2 3.87Å; V269-L350 HydrophobicContact CG1-CD2 3.75Å; V269-M356 HydrophobicContact CG2-CE 4.23Å; V269-M356 HydrophobicContact CG2-SD 4.09Å
270V98.1Very high88.2Confident0 Ų028.1 Ų28.10%016%0.163CC..EExtended strand (participates in β ladder)trans-109.8123.8168179.50000107.9A167 L169 L248 T251 F256 V272 V294 N295 F297A167-V270 HydrophobicContact CB-CG2 4.18Å; A167-V270 CarbonylContact O-C 3.6Å; A167-V270 WeakPolarHBondContact O-CA 3.45Å; L169-V270 HydrophobicContact CB-CG1 3.98Å; L169-V270 HydrophobicContact CD1-CG1 4.27Å; L248-V270 HydrophobicContact CD1-CB 4.15Å; L248-V270 HydrophobicContact CD1-CG1 3.81Å; L248-V270 HydrophobicContact CD1-CG2 4.35Å; T251-V270 HydrophobicContact CG2-CG1 4.47Å; T251-V270 HydrophobicContact CG2-CG2 3.77Å; F256-V270 HydrophobicContact CE2-CG2 3.6Å; F256-V270 HydrophobicContact CZ-CG2 3.94Å; V270-V272 HydrophobicContact CG1-CG2 3.71Å; V270-V294 HydrophobicContact CB-CG1 4.16Å; V270-V294 HydrophobicContact CG2-CG1 3.39Å; V270-N295 PolarHBondContact N-O 2.83Å; V270-F297 PolarHBondContact O-N 2.85Å
271V98Very high87.6Confident0 Ų032 Ų320%018%0.183CC..EExtended strand (participates in β ladder)trans-104.7103.7173.5-173.30000108I166 A167 F168 L169 V269 F273 F297 V299 L350I166-V271 HydrophobicContact CG2-CG2 3.86Å; A167-V271 PolarHBondContact O-N 2.79Å; F168-V271 HydrophobicContact CD1-CB 3.85Å; F168-V271 HydrophobicContact CD1-CG1 4.3Å; F168-V271 HydrophobicContact CD1-CG2 4.29Å; F168-V271 HydrophobicContact CE1-CB 4.14Å; F168-V271 HydrophobicContact CE1-CG1 4.42Å; F168-V271 HydrophobicContact CE1-CG2 4.16Å; L169-V271 PolarHBondContact N-O 3.33Å; V269-V271 HydrophobicContact CG1-CG2 4.15Å; V271-F273 HydrophobicContact CB-CE2 4.44Å; V271-F273 HydrophobicContact CG1-CD2 4.39Å; V271-F273 HydrophobicContact CG1-CE2 3.71Å; V271-F273 HydrophobicContact CG1-CZ 4.02Å; V271-F297 WeakPolarHBondContact CA-O 3.09Å; V271-F297 HydrophobicContact CG1-CB 4.46Å; V271-F297 HydrophobicContact CG2-CB 4.34Å; V271-V299 HydrophobicContact CG1-CG2 3.69Å; V271-L350 HydrophobicContact CG2-CD1 4.06Å; V271-L350 HydrophobicContact CG2-CD2 3.48Å; V271-L350 VanDerWaalsContact CG2-CD2 3.48Å; V271-L350 HydrophobicContact CG2-CG 4.43Å
272V96.4Very high87.5Confident0 Ų031.2 Ų31.20%018%0.175CC..EExtended strand (participates in β ladder)trans-91.9121.6-177.9-169.90000108.9L169 T244 L248 V270 I274 V296 F297 I298 V299L169-V272 HydrophobicContact CB-CG2 4.4Å; L169-V272 HydrophobicContact CD1-CG2 4.34Å; L169-V272 HydrophobicContact CD2-CG1 3.95Å; T244-V272 HydrophobicContact CG2-CG1 3.47Å; T244-V272 VanDerWaalsContact CG2-CG1 3.47Å; L248-V272 HydrophobicContact CD1-CG2 4.21Å; V270-V272 HydrophobicContact CG1-CG2 3.71Å; V272-I274 HydrophobicContact CG1-CD1 3.99Å; V272-I274 HydrophobicContact CG1-CG1 3.82Å; V272-V296 HydrophobicContact CG2-CG1 3.98Å; V272-F297 PolarHBondContact N-O 3.19Å; V272-I298 HydrophobicContact CB-CD1 3.69Å; V272-I298 HydrophobicContact CG1-CD1 4.21Å; V272-I298 HydrophobicContact CG2-CD1 3.88Å; V272-V299 PolarHBondContact O-N 3.3Å
273F94Very high87.3Confident1 Ų133.3 Ų33.30%0.00418%0.183CC..EExtended strand (participates in β ladder)trans-96.6121.2173.1-72.1-90.3000110.4F168 L169 I170 Q184 F187 V188 V271 V299 W336 L346F168-F273 AromaticContact CD1-CE2 3.95Å; F168-F273 HydrophobicContact CD1-CE2 3.95Å; L169-F273 PolarHBondContact O-N 2.8Å; I170-F273 HydrophobicContact CG2-CD2 4.27Å; Q184-F273 HydrophobicContact CG-CB 4.28Å; Q184-F273 HydrophobicContact CG-CG 4.37Å; F187-F273 HydrophobicContact CD1-CD1 4.47Å; F187-F273 AromaticContact CD1-CE1 3.4Å; F187-F273 HydrophobicContact CD1-CE1 3.4Å; F187-F273 AromaticContact CD1-CZ 3.7Å; F187-F273 HydrophobicContact CD1-CZ 3.7Å; F187-F273 AromaticContact CE1-CE1 3.43Å; F187-F273 HydrophobicContact CE1-CE1 3.43Å; F187-F273 VanDerWaalsContact CE1-CE1 3.43Å; F187-F273 AromaticContact CE1-CZ 3.69Å; F187-F273 HydrophobicContact CE1-CZ 3.69Å; V188-F273 HydrophobicContact CG2-CD2 4.07Å; V188-F273 HydrophobicContact CG2-CE2 3.55Å; V188-F273 HydrophobicContact CG2-CZ 3.83Å; V271-F273 HydrophobicContact CB-CE2 4.44Å; V271-F273 HydrophobicContact CG1-CD2 4.39Å; V271-F273 HydrophobicContact CG1-CE2 3.71Å; V271-F273 HydrophobicContact CG1-CZ 4.02Å; F273-V299 HydrophobicContact CD1-CB 3.68Å; F273-V299 HydrophobicContact CD1-CG1 3.68Å; F273-V299 HydrophobicContact CD1-CG2 4.33Å; F273-V299 HydrophobicContact CE1-CB 3.75Å; F273-V299 HydrophobicContact CE1-CG1 3.59Å; F273-V299 HydrophobicContact CE1-CG2 3.96Å; F273-V299 HydrophobicContact CG-CB 4.33Å; F273-V299 HydrophobicContact CZ-CB 4.43Å; F273-V299 HydrophobicContact CZ-CG2 4.2Å; F273-W336 HydrophobicContact CD1-CH2 4.02Å; F273-L346 HydrophobicContact CZ-CD2 4.47Å
274I89.4Confident87.3Confident2 Ų235.7 Ų35.71%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-122.7119.6-179.6-58.7177.5000107.9T244 V272 G276 I282 I298 V299 S300 V301 F317T244-I274 HydrophobicContact CG2-CD1 4.09Å; T244-I274 HydrophobicContact CG2-CG1 4.21Å; V272-I274 HydrophobicContact CG1-CD1 3.99Å; V272-I274 HydrophobicContact CG1-CG1 3.82Å; I274-G276 WeakPolarHBondContact CG2-O 3.44Å; I274-I282 HydrophobicContact CD1-CD1 3.79Å; I274-I298 HydrophobicContact CD1-CD1 4.33Å; I274-I298 HydrophobicContact CD1-CG2 3.94Å; I274-V299 PolarHBondContact N-O 3.42Å; I274-S300 CarbonylContact O-C 3.49Å; I274-S300 WeakPolarHBondContact O-CA 3.38Å; I274-V301 PolarHBondContact O-N 3.25Å; I274-F317 HydrophobicContact CD1-CD2 4.27Å; I274-F317 HydrophobicContact CD1-CE2 3.63Å; I274-F317 HydrophobicContact CG2-CE2 4.32Å; I274-F317 HydrophobicContact CG2-CZ 4.37Å
275D84.3Confident87.8Confident20 Ų2029.6 Ų29.611%0.10717%0.171CC..EExtended strand (participates in β ladder)trans-106.396.8174-175.64.8000108.2I176 R180 V301 W336I176-D275 HydrophobicContact CD1-CB 4.09Å; I176-D275 HydrophobicContact CG1-CB 4.36Å; R180-D275 WeakPolarHBondContact CD-OD2 3.44Å; R180-D275 IonicContact NH1-OD1 3.14Å; R180-D275 PolarHBondContact NH1-OD1 3.07Å; R180-D275 IonicContact NH1-OD2 2.86Å; R180-D275 PolarHBondContact NH1-OD2 3.47Å; D275-V301 HydrophobicContact CB-CB 4.41Å; D275-W336 HydrophobicContact CB-CZ2 4.29Å; D275-W336 PolarHBondContact OD2-NE1 2.87Å
276G78.1Confident88.5Confident17 Ų1726.3 Ų26.318%0.17514%0.137CC..SBendtrans98.5-128.1-167.100000112.7I274 V301I274-G276 WeakPolarHBondContact CG2-O 3.44Å; G276-V301 PolarHBondContact N-O 2.97Å
277W76.1Confident88.5Confident61 Ų6127.8 Ų27.823%0.23115%0.145CC..  trans-133.7149.4-179.249.894.5000110.8P304 E308 V312 F317W277-P304 HydrophobicContact CE3-CB 3.91Å; W277-P304 HydrophobicContact CZ3-CB 3.8Å; W277-E308 HydrophobicContact CH2-CB 3.5Å; W277-E308 HydrophobicContact CH2-CG 3.77Å; W277-E308 WeakPolarHBondContact CH2-OE2 3.49Å; W277-E308 HydrophobicContact CZ2-CB 4.14Å; W277-E308 HydrophobicContact CZ2-CG 4.49Å; W277-E308 HydrophobicContact CZ3-CB 4.01Å; W277-E308 WeakPolarHBondContact CZ3-OE2 3.37Å; W277-V312 HydrophobicContact CB-CG1 4.12Å; W277-V312 HydrophobicContact CB-CG2 4.37Å; W277-V312 HydrophobicContact CD2-CG2 3.76Å; W277-V312 HydrophobicContact CE3-CG2 4Å; W277-V312 HydrophobicContact CG-CB 4.47Å; W277-V312 HydrophobicContact CG-CG1 4.33Å; W277-V312 HydrophobicContact CG-CG2 3.92Å; W277-F317 HydrophobicContact CB-CE1 4.49Å
278P79.3Confident88.4Confident12 Ų1228.2 Ų28.28%0.07815%0.147CC..  trans-65.4153.9179.729.7-36.7000112.1I282 F317P278-I282 HydrophobicContact CB-CD1 3.6Å; P278-I282 HydrophobicContact CB-CG1 3.92Å; P278-I282 HydrophobicContact CG-CD1 3.58Å; P278-I282 HydrophobicContact CG-CG1 3.89Å; P278-F317 HydrophobicContact CG-CB 4.49Å; P278-F317 HydrophobicContact CG-CD2 3.96Å; P278-F317 HydrophobicContact CG-CE2 4.34Å; P278-F317 HydrophobicContact CG-CG 4.14Å
279S77.4Confident88.3Confident49 Ų4925.9 Ų25.934%0.34314%0.137SC..SBendtrans-90.5-7.4176-54.80000113S242S242-S279 PolarHBondContact O-N 3.39Å
280D84.8Confident87.7Confident34 Ų3428.6 Ų28.618%0.18215%0.147CC..SBendtrans-131.2167.8178.964.4-20000111.5N243 T244 G245 K246N243-D280 VanDerWaalsContact C-OD2 3.24Å; N243-D280 WeakPolarHBondContact CA-OD2 3.07Å; T244-D280 PolarHBondContact N-OD1 3.04Å; T244-D280 PolarHBondContact N-OD2 3.32Å; G245-D280 WeakPolarHBondContact CA-OD2 3.4Å; G245-D280 VanDerWaalsContact N-CG 3.28Å; G245-D280 PolarHBondContact N-OD1 3.22Å; G245-D280 PolarHBondContact N-OD2 3.25Å; K246-D280 PolarHBondContact N-OD2 2.94Å
281D81.5Confident86.9Confident86 Ų8633.5 Ų33.546%0.4617%0.17SC..  trans-71.8129.2175.4-177.919.6000111E283D281-E283 VanDerWaalsContact OD1-CB 3.26Å; D281-E283 WeakPolarHBondContact OD1-CB 3.13Å; D281-E283 PolarHBondContact OD1-N 3.41Å
282I89.3Confident86.4Confident1 Ų137.5 Ų37.51%0.00519%0.187CC..  trans-99.9-15.1176.5-55.8-171.5000111.2T244 L248 I274 P278 E284 A285 G286 F317 A321T244-I282 HydrophobicContact CG2-CD1 3.65Å; L248-I282 HydrophobicContact CD2-CG2 3.82Å; I274-I282 HydrophobicContact CD1-CD1 3.79Å; P278-I282 HydrophobicContact CB-CD1 3.6Å; P278-I282 HydrophobicContact CB-CG1 3.92Å; P278-I282 HydrophobicContact CG-CD1 3.58Å; P278-I282 HydrophobicContact CG-CG1 3.89Å; I282-E284 PolarHBondContact O-N 3.42Å; I282-A285 CarbonylContact O-C 3.56Å; I282-A285 WeakPolarHBondContact O-CB 3.43Å; I282-A285 PolarHBondContact O-N 3.32Å; I282-A285 VanDerWaalsContact O-N 3.14Å; I282-G286 PolarHBondContact O-N 2.81Å; I282-F317 HydrophobicContact CD1-CD2 4.19Å; I282-A321 HydrophobicContact CB-CB 4.35Å; I282-A321 HydrophobicContact CG2-CB 3.39Å
283E88.9Confident85.9Confident71 Ų7137.5 Ų37.533%0.33219%0.188SC..Hα-helixtrans-57.8-52.7-176.7-178.3165.7-170.800111.8D281 A285 G286 I287 K320D281-E283 VanDerWaalsContact OD1-CB 3.26Å; D281-E283 WeakPolarHBondContact OD1-CB 3.13Å; D281-E283 PolarHBondContact OD1-N 3.41Å; E283-A285 VanDerWaalsContact C-N 3.28Å; E283-A285 PolarHBondContact O-N 2.99Å; E283-G286 PolarHBondContact O-N 2.83Å; E283-G286 VanDerWaalsContact O-N 3.12Å; E283-I287 WeakPolarHBondContact O-CG1 3.49Å; E283-I287 PolarHBondContact O-N 2.79Å; E283-K320 HydrophobicContact CB-CB 4.16Å; E283-K320 HydrophobicContact CB-CD 4.32Å; E283-K320 HydrophobicContact CG-CB 4.11Å; E283-K320 HydrophobicContact CG-CD 4.31Å; E283-K320 WeakPolarHBondContact OE2-CD 3.32Å; E283-K320 WeakPolarHBondContact OE2-CE 3.49Å; E283-K320 IonicContact OE2-NZ 3.9Å; E283-K320 PolarHBondContact OE2-NZ 2.6Å
284E88.9Confident85.9Confident105 Ų10537.5 Ų37.549%0.49119%0.188SC..Hα-helixtrans-58.6-41176.5-164.5-159.9149.400111.6K249 I282 G286 I287 V288K249-E284 IonicContact NZ-OE1 2.84Å; K249-E284 PolarHBondContact NZ-OE1 2.88Å; I282-E284 PolarHBondContact O-N 3.42Å; E284-G286 VanDerWaalsContact C-N 3.32Å; E284-G286 PolarHBondContact O-N 2.89Å; E284-I287 WeakPolarHBondContact O-CB 2.99Å; E284-I287 PolarHBondContact O-N 2.8Å; E284-V288 WeakPolarHBondContact O-CG2 3.44Å; E284-V288 PolarHBondContact O-N 2.79Å
285A91.8Very high86.1Confident3 Ų337.4 Ų37.43%0.02519%0.187CC..Hα-helixtrans-66.8-35.2178.800000112.4G245 L248 K249 I282 E283 A289G245-A285 WeakPolarHBondContact O-CB 3.43Å; L248-A285 HydrophobicContact CB-CB 3.98Å; L248-A285 HydrophobicContact CD2-CB 3.92Å; L248-A285 HydrophobicContact CG-CB 4.01Å; K249-A285 HydrophobicContact CB-CB 4.1Å; I282-A285 CarbonylContact O-C 3.56Å; I282-A285 WeakPolarHBondContact O-CB 3.43Å; I282-A285 PolarHBondContact O-N 3.32Å; I282-A285 VanDerWaalsContact O-N 3.14Å; E283-A285 VanDerWaalsContact C-N 3.28Å; E283-A285 PolarHBondContact O-N 2.99Å; A285-A289 WeakPolarHBondContact O-CB 3.37Å; A285-A289 PolarHBondContact O-N 2.81Å
286G92.1Very high86.7Confident0 Ų036.4 Ų36.40%018%0.182CC..Hα-helixtrans-62.5-46.617100000111.5I282 E283 E284 V288 A289 R290I282-G286 PolarHBondContact O-N 2.81Å; E283-G286 PolarHBondContact O-N 2.83Å; E283-G286 VanDerWaalsContact O-N 3.12Å; E284-G286 VanDerWaalsContact C-N 3.32Å; E284-G286 PolarHBondContact O-N 2.89Å; G286-V288 PolarHBondContact O-N 2.78Å; G286-A289 PolarHBondContact O-N 2.91Å; G286-R290 VanDerWaalsContact O-CG 3.29Å; G286-R290 WeakPolarHBondContact O-CG 3.3Å; G286-R290 PolarHBondContact O-N 2.99Å
287I86.4Confident87.5Confident68 Ų6835.6 Ų35.635%0.34917%0.174SC..Hα-helixtrans-55.6-52.4174.8-64.5166.7000110.3E283 E284 A289 R290 E291E283-I287 WeakPolarHBondContact O-CG1 3.49Å; E283-I287 PolarHBondContact O-N 2.79Å; E284-I287 WeakPolarHBondContact O-CB 2.99Å; E284-I287 PolarHBondContact O-N 2.8Å; I287-A289 VanDerWaalsContact C-N 3.33Å; I287-A289 PolarHBondContact O-N 3.12Å; I287-R290 WeakPolarHBondContact O-CB 3.3Å; I287-R290 PolarHBondContact O-N 2.95Å; I287-R290 VanDerWaalsContact O-N 3.1Å; I287-E291 WeakPolarHBondContact O-CG 3.33Å; I287-E291 PolarHBondContact O-N 3.24Å
288V89Confident88.4Confident13 Ų1332.7 Ų32.78%0.07916%0.163CC..Hα-helixtrans-61.2-41.8179.4175.30000111.1K249 A252 Q253 E284 G286 R290 E291 F292K249-V288 HydrophobicContact CD-CG2 4.39Å; K249-V288 HydrophobicContact CG-CB 4.39Å; K249-V288 HydrophobicContact CG-CG1 4.13Å; K249-V288 HydrophobicContact CG-CG2 4.4Å; A252-V288 HydrophobicContact CB-CG1 4.48Å; Q253-V288 HydrophobicContact CG-CG1 3.96Å; E284-V288 WeakPolarHBondContact O-CG2 3.44Å; E284-V288 PolarHBondContact O-N 2.79Å; G286-V288 PolarHBondContact O-N 2.78Å; V288-R290 VanDerWaalsContact C-N 3.3Å; V288-R290 PolarHBondContact O-N 3.25Å; V288-E291 PolarHBondContact O-N 3.48Å; V288-F292 HydrophobicContact CG1-CD2 3.93Å; V288-F292 HydrophobicContact CG1-CE2 4.05Å; V288-F292 VanDerWaalsContact O-CD2 3.26Å; V288-F292 WeakPolarHBondContact O-CD2 3.29Å; V288-F292 PolarHBondContact O-N 2.94Å
289A92.4Very high89.1Confident0 Ų032.1 Ų32.10%016%0.159CC..Hα-helixtrans-58.7-43.4175.600000111.7L248 A252 A285 G286 I287 F292 G293 V294 V296L248-A289 HydrophobicContact CD1-CB 4.38Å; A252-A289 HydrophobicContact CB-CB 4.11Å; A285-A289 WeakPolarHBondContact O-CB 3.37Å; A285-A289 PolarHBondContact O-N 2.81Å; G286-A289 PolarHBondContact O-N 2.91Å; I287-A289 VanDerWaalsContact C-N 3.33Å; I287-A289 PolarHBondContact O-N 3.12Å; A289-F292 CarbonylContact O-C 3.51Å; A289-F292 PolarHBondContact O-N 3.18Å; A289-G293 PolarHBondContact O-N 3.43Å; A289-G293 VanDerWaalsContact O-N 3.17Å; A289-V294 HydrophobicContact CB-CB 4.19Å; A289-V294 VanDerWaalsContact O-CB 3.29Å; A289-V294 WeakPolarHBondContact O-CB 3.05Å; A289-V294 PolarHBondContact O-N 3.18Å; A289-V296 HydrophobicContact CB-CG2 3.5Å
290R86.1Confident89.7Confident57 Ų5730.7 Ų30.722%0.21515%0.149CC..Hα-helixtrans-63.2-44.3176.2-67.5-171.3-69.3-93.63.1112.3G286 I287 V288 F292 G293 K320 V322G286-R290 VanDerWaalsContact O-CG 3.29Å; G286-R290 WeakPolarHBondContact O-CG 3.3Å; G286-R290 PolarHBondContact O-N 2.99Å; I287-R290 WeakPolarHBondContact O-CB 3.3Å; I287-R290 PolarHBondContact O-N 2.95Å; I287-R290 VanDerWaalsContact O-N 3.1Å; V288-R290 VanDerWaalsContact C-N 3.3Å; V288-R290 PolarHBondContact O-N 3.25Å; R290-F292 PolarHBondContact O-N 3.04Å; R290-G293 WeakPolarHBondContact O-CA 3.35Å; R290-G293 PolarHBondContact O-N 3.42Å; R290-K320 PolarHBondContact NH1-O 3.22Å; R290-V322 PolarHBondContact NH1-O 3.3Å; R290-V322 VanDerWaalsContact NH1-O 3.14Å
291E81.7Confident90Very high103 Ų10329.1 Ų29.148%0.48114%0.141SC..Hα-helixtrans-59.8-33.7175.7-72.7177.2171.300112.6I287 V288 G293 K360I287-E291 WeakPolarHBondContact O-CG 3.33Å; I287-E291 PolarHBondContact O-N 3.24Å; V288-E291 PolarHBondContact O-N 3.48Å; E291-G293 PolarHBondContact O-N 3.24Å; E291-K360 WeakPolarHBondContact O-CE 3.23Å; E291-K360 PolarHBondContact O-NZ 3.46Å
292F85.8Confident89.8Confident84 Ų8426.8 Ų26.837%0.36813%0.133SC..THydrogen-bonded Turntrans-82.71.6173.8-82.1-101.1000112.8A252 Q253 K268 V288 A289 R290 V294A252-F292 HydrophobicContact CB-CB 4.45Å; A252-F292 WeakPolarHBondContact O-CD1 3.25Å; Q253-F292 HydrophobicContact CB-CZ 4.48Å; Q253-F292 HydrophobicContact CG-CE2 3.97Å; Q253-F292 HydrophobicContact CG-CZ 3.96Å; K268-F292 WeakPolarHBondContact CE-O 3.44Å; K268-F292 PolarHBondContact NZ-O 3.18Å; V288-F292 HydrophobicContact CG1-CD2 3.93Å; V288-F292 HydrophobicContact CG1-CE2 4.05Å; V288-F292 VanDerWaalsContact O-CD2 3.26Å; V288-F292 WeakPolarHBondContact O-CD2 3.29Å; V288-F292 PolarHBondContact O-N 2.94Å; A289-F292 CarbonylContact O-C 3.51Å; A289-F292 PolarHBondContact O-N 3.18Å; R290-F292 PolarHBondContact O-N 3.04Å; F292-V294 HydrophobicContact CB-CG2 4.04Å
293G87.6Confident88.8Confident1 Ų134.1 Ų34.11%0.0117%0.165CC..THydrogen-bonded Turntrans70.333.9179.100000113.8K268 A289 R290 E291 C358K268-G293 WeakPolarHBondContact CE-O 3.41Å; A289-G293 PolarHBondContact O-N 3.43Å; A289-G293 VanDerWaalsContact O-N 3.17Å; R290-G293 WeakPolarHBondContact O-CA 3.35Å; R290-G293 PolarHBondContact O-N 3.42Å; E291-G293 PolarHBondContact O-N 3.24Å; G293-C358 CarbonylContact C-O 3.55Å; G293-C358 VanDerWaalsContact C-O 3.29Å; G293-C358 WeakPolarHBondContact CA-O 3.23Å
294V93.3Very high87.7Confident0 Ų032.7 Ų32.70%016%0.162CC..EExtended strand (participates in β ladder)trans-104.8129-175.6179.30000109.8A252 F256 K268 V270 A289 F292 C358A252-V294 HydrophobicContact CB-CG2 4.46Å; F256-V294 HydrophobicContact CD2-CG2 3.86Å; F256-V294 HydrophobicContact CE2-CG1 3.87Å; F256-V294 HydrophobicContact CE2-CG2 4.04Å; F256-V294 HydrophobicContact CZ-CG1 4.49Å; K268-V294 HydrophobicContact CB-CG2 4.08Å; K268-V294 HydrophobicContact CD-CG2 4.41Å; V270-V294 HydrophobicContact CB-CG1 4.16Å; V270-V294 HydrophobicContact CG2-CG1 3.39Å; A289-V294 HydrophobicContact CB-CB 4.19Å; A289-V294 VanDerWaalsContact O-CB 3.29Å; A289-V294 WeakPolarHBondContact O-CB 3.05Å; A289-V294 PolarHBondContact O-N 3.18Å; F292-V294 HydrophobicContact CB-CG2 4.04Å; V294-C358 WeakPolarHBondContact O-CB 3.35Å
295N93.9Very high86.9Confident0 Ų031.8 Ų31.80%016%0.16CC..EExtended strand (participates in β ladder)trans-86.2112.5176.9-60.4-90.9000110.1K268 V269 V270 F297 C323 F329 M356 M357 C358 S359K268-N295 WeakPolarHBondContact O-CB 3.36Å; K268-N295 PolarHBondContact O-N 3.45Å; K268-N295 PolarHBondContact O-ND2 3.47Å; V269-N295 CarbonylContact C-O 3.41Å; V269-N295 WeakPolarHBondContact CA-O 3.3Å; V269-N295 HydrophobicContact CG2-CB 4.37Å; V270-N295 PolarHBondContact N-O 2.83Å; N295-F297 HydrophobicContact CB-CE2 4.43Å; N295-C323 VanDerWaalsContact CA-SG 3.58Å; N295-F329 HydrophobicContact CB-CE1 4.14Å; N295-M356 HydrophobicContact CB-SD 3.96Å; N295-M356 VanDerWaalsContact OD1-CA 3.29Å; N295-M356 WeakPolarHBondContact OD1-CA 3.4Å; N295-M356 PolarHBondContact OD1-O 2.64Å; N295-M357 PolarHBondContact OD1-N 3.41Å; N295-C358 PolarHBondContact OD1-N 3.26Å; N295-S359 PolarHBondContact ND2-OG 3.14Å
296V95.8Very high86.3Confident0 Ų036.6 Ų36.60%019%0.191CC..EExtended strand (participates in β ladder)trans-91.7118.6-179.6-175.20000109.4L248 V272 A289 I298L248-V296 HydrophobicContact CD1-CG1 4.26Å; L248-V296 HydrophobicContact CD1-CG2 3.97Å; L248-V296 HydrophobicContact CD2-CG1 4.05Å; L248-V296 HydrophobicContact CD2-CG2 4.26Å; V272-V296 HydrophobicContact CG2-CG1 3.98Å; A289-V296 HydrophobicContact CB-CG2 3.5Å; V296-I298 HydrophobicContact CG1-CD1 3.73Å; V296-I298 HydrophobicContact CG1-CG1 4.37Å
297F95.9Very high85.5Confident0 Ų043.3 Ų43.30%022%0.222CC..EExtended strand (participates in β ladder)trans-102.5126.4167.5-78.9-101.5000109.4V269 V270 V271 V272 N295 F328 F329 K349 L350 M356V269-F297 HydrophobicContact CG1-CD2 3.57Å; V269-F297 HydrophobicContact CG1-CE2 3.87Å; V270-F297 PolarHBondContact O-N 2.85Å; V271-F297 WeakPolarHBondContact CA-O 3.09Å; V271-F297 HydrophobicContact CG1-CB 4.46Å; V271-F297 HydrophobicContact CG2-CB 4.34Å; V272-F297 PolarHBondContact N-O 3.19Å; N295-F297 HydrophobicContact CB-CE2 4.43Å; F297-F328 HydrophobicContact CE1-CD1 4.31Å; F297-F328 HydrophobicContact CE1-CE1 4.06Å; F297-F328 HydrophobicContact CE1-CZ 4.31Å; F297-F328 WeakPolarHBondContact CE1-O 3.28Å; F297-F328 HydrophobicContact CZ-CD1 4.08Å; F297-F328 AromaticContact CZ-CE1 3.52Å; F297-F328 HydrophobicContact CZ-CE1 3.52Å; F297-F328 AromaticContact CZ-CZ 3.95Å; F297-F328 HydrophobicContact CZ-CZ 3.95Å; F297-F329 CarbonylContact C-O 3.56Å; F297-F329 VanDerWaalsContact CA-O 3.24Å; F297-F329 WeakPolarHBondContact CA-O 3.49Å; F297-F329 HydrophobicContact CD2-CD1 4.06Å; F297-F329 HydrophobicContact CE1-CD1 4.24Å; F297-F329 AromaticContact CE2-CD1 3.71Å; F297-F329 HydrophobicContact CE2-CD1 3.71Å; F297-F329 AromaticContact CE2-CE1 3.98Å; F297-F329 HydrophobicContact CE2-CE1 3.98Å; F297-F329 HydrophobicContact CG-CD1 4.48Å; F297-F329 AromaticContact CZ-CD1 3.82Å; F297-F329 HydrophobicContact CZ-CD1 3.82Å; F297-F329 HydrophobicContact CZ-CE1 4.12Å; F297-K349 HydrophobicContact CE1-CB 3.99Å; F297-K349 HydrophobicContact CE1-CD 4.5Å; F297-L350 HydrophobicContact CD1-CD2 4.37Å; F297-L350 HydrophobicContact CD2-CD2 3.98Å; F297-L350 HydrophobicContact CE2-CD2 4.15Å; F297-L350 HydrophobicContact CG-CD2 4.08Å; F297-L350 HydrophobicContact CZ-CD2 4.41Å; F297-M356 HydrophobicContact CE2-CE 3.85Å; F297-M356 HydrophobicContact CE2-SD 3.76Å; F297-M356 HydrophobicContact CZ-CE 3.89Å; F297-M356 HydrophobicContact CZ-SD 4.12Å
298I94.4Very high84.7Confident0 Ų043.2 Ų43.20%022%0.22CC..EExtended strand (participates in β ladder)trans-101.3117.5173.7-56-58.6000109.1V272 I274 V296 V318 A321 V322 F329 Y331V272-I298 HydrophobicContact CB-CD1 3.69Å; V272-I298 HydrophobicContact CG1-CD1 4.21Å; V272-I298 HydrophobicContact CG2-CD1 3.88Å; I274-I298 HydrophobicContact CD1-CD1 4.33Å; I274-I298 HydrophobicContact CD1-CG2 3.94Å; V296-I298 HydrophobicContact CG1-CD1 3.73Å; V296-I298 HydrophobicContact CG1-CG1 4.37Å; I298-V318 HydrophobicContact CB-CG1 4.02Å; I298-V318 HydrophobicContact CG1-CG1 4.29Å; I298-V318 HydrophobicContact CG2-CG1 4.23Å; I298-V318 HydrophobicContact CG2-CG2 4.04Å; I298-A321 HydrophobicContact CD1-CB 4.08Å; I298-A321 HydrophobicContact CG1-CB 4.19Å; I298-V322 HydrophobicContact CB-CG1 4.44Å; I298-V322 HydrophobicContact CG1-CG1 3.81Å; I298-F329 PolarHBondContact N-O 3.09Å; I298-Y331 PolarHBondContact O-N 3.01Å
299V94.4Very high84Confident0 Ų046.8 Ų46.80%024%0.238CC..EExtended strand (participates in β ladder)trans-9997.7169.1-1760000108.5V271 V272 F273 I274 Y331 M333 L346V271-V299 HydrophobicContact CG1-CG2 3.69Å; V272-V299 PolarHBondContact O-N 3.3Å; F273-V299 HydrophobicContact CD1-CB 3.68Å; F273-V299 HydrophobicContact CD1-CG1 3.68Å; F273-V299 HydrophobicContact CD1-CG2 4.33Å; F273-V299 HydrophobicContact CE1-CB 3.75Å; F273-V299 HydrophobicContact CE1-CG1 3.59Å; F273-V299 HydrophobicContact CE1-CG2 3.96Å; F273-V299 HydrophobicContact CG-CB 4.33Å; F273-V299 HydrophobicContact CZ-CB 4.43Å; F273-V299 HydrophobicContact CZ-CG2 4.2Å; I274-V299 PolarHBondContact N-O 3.42Å; V299-Y331 CarbonylContact C-O 3.58Å; V299-Y331 VanDerWaalsContact CA-O 3.23Å; V299-Y331 WeakPolarHBondContact CA-O 3.39Å; V299-Y331 HydrophobicContact CG1-CD1 4.18Å; V299-Y331 HydrophobicContact CG2-CD1 4.39Å; V299-M333 HydrophobicContact CG1-SD 4.01Å; V299-L346 HydrophobicContact CG2-CD1 4.21Å; V299-L346 HydrophobicContact CG2-CD2 4.1Å
300S90.5Very high83Confident19 Ų1950.6 Ų50.613%0.13328%0.278CS..EExtended strand (participates in β ladder)trans-86.6132.6176.654.90000110.8I274 Y331 M333I274-S300 CarbonylContact O-C 3.49Å; I274-S300 WeakPolarHBondContact O-CA 3.38Å; S300-Y331 PolarHBondContact N-O 2.74Å; S300-M333 PolarHBondContact O-N 3.1Å
301V89.3Confident82.3Confident1 Ų153.5 Ų53.51%0.00630%0.295CS..EExtended strand (participates in β ladder)trans-114.4125.6175.3-172.60000109I274 D275 G276 M333 W336I274-V301 PolarHBondContact O-N 3.25Å; D275-V301 HydrophobicContact CB-CB 4.41Å; G276-V301 PolarHBondContact N-O 2.97Å; V301-M333 WeakPolarHBondContact CA-O 3.46Å; V301-M333 HydrophobicContact CG2-CB 4.3Å; V301-W336 HydrophobicContact CB-CZ2 4.06Å; V301-W336 HydrophobicContact CG1-CD2 4.06Å; V301-W336 HydrophobicContact CG1-CG 4.15Å; V301-W336 HydrophobicContact CG1-CZ2 4.29Å; V301-W336 HydrophobicContact CG2-CD2 4.39Å; V301-W336 HydrophobicContact CG2-CH2 3.64Å; V301-W336 HydrophobicContact CG2-CZ2 3.51Å; V301-W336 HydrophobicContact CG2-CZ3 4.15Å
302A77.6Confident81.8Confident37 Ų3749.4 Ų49.431%0.30628%0.277SS..SBendtrans61.1156.4-170.900000113.4M333A302-M333 PolarHBondContact N-O 2.77Å
303K68.1Low81.3Confident154 Ų15452.9 Ų52.967%0.6730%0.295SS*.PPolyproline II helixtrans-103.5150.1170.6-67.4-167.3175.8-174.10109I305 H332K303-I305 PolarHBondContact O-N 3.5Å; K303-H332 WeakPolarHBondContact CG-NE2 2.92Å
304P65.8Low80.9Confident42 Ų4254.6 Ų54.627%0.27330%0.304SS..PPolyproline II helixtrans-56.2130.8168.423.5-31.5000109.1W277 E308 L309 V312W277-P304 HydrophobicContact CE3-CB 3.91Å; W277-P304 HydrophobicContact CZ3-CB 3.8Å; P304-E308 HydrophobicContact CB-CB 4.31Å; P304-L309 HydrophobicContact CB-CD1 4.24Å; P304-L309 HydrophobicContact CG-CD1 4.07Å; P304-V312 HydrophobicContact CB-CG2 3.89Å; P304-V312 HydrophobicContact CG-CG2 4.11Å
305I73.5Confident80.3Confident85 Ų8559 Ų5944%0.43633%0.33SS..PPolyproline II helixtrans-70.4159.4169.863.8-179.8000109.2K303 E307 E308 L309K303-I305 PolarHBondContact O-N 3.5Å; I305-E307 HydrophobicContact CD1-CB 4.39Å; I305-E307 WeakPolarHBondContact CD1-OE2 3.33Å; I305-E307 HydrophobicContact CG1-CB 4.34Å; I305-E307 WeakPolarHBondContact CG1-OE2 3.26Å; I305-E307 PolarHBondContact O-N 2.77Å; I305-E307 VanDerWaalsContact O-N 3.08Å; I305-E308 HydrophobicContact CD1-CG 4.04Å; I305-E308 HydrophobicContact CG1-CB 3.94Å; I305-E308 HydrophobicContact CG1-CG 3.54Å; I305-E308 WeakPolarHBondContact CG1-OE2 3.33Å; I305-E308 WeakPolarHBondContact O-CA 3.14Å; I305-E308 PolarHBondContact O-N 3.47Å; I305-L309 PolarHBondContact O-N 3.25Å
306P78.2Confident79.9Confident104 Ų10461.8 Ų61.868%0.67535%0.347SS*.Hα-helixtrans-52.6-34.4-177.2-28.436.7000114.2E308 L309P306-E308 VanDerWaalsContact C-N 3.28Å; P306-E308 PolarHBondContact O-N 3.02Å; P306-L309 PolarHBondContact O-N 3.29Å
307E75.7Confident79.5Confident141 Ų14162.7 Ų62.766%0.65935%0.351SS*.Hα-helixtrans-70-25.8178-58.773.5-159.800112.6I305I305-E307 HydrophobicContact CD1-CB 4.39Å; I305-E307 WeakPolarHBondContact CD1-OE2 3.33Å; I305-E307 HydrophobicContact CG1-CB 4.34Å; I305-E307 WeakPolarHBondContact CG1-OE2 3.26Å; I305-E307 PolarHBondContact O-N 2.77Å; I305-E307 VanDerWaalsContact O-N 3.08Å
308E69.1Low79.1Confident66 Ų6663.7 Ų63.731%0.30836%0.357SS..Hα-helixtrans-92.6-16.5179.2-67.1178150.400112.8W277 P304 I305 P306 G310 M311 V312W277-E308 HydrophobicContact CH2-CB 3.5Å; W277-E308 HydrophobicContact CH2-CG 3.77Å; W277-E308 WeakPolarHBondContact CH2-OE2 3.49Å; W277-E308 HydrophobicContact CZ2-CB 4.14Å; W277-E308 HydrophobicContact CZ2-CG 4.49Å; W277-E308 HydrophobicContact CZ3-CB 4.01Å; W277-E308 WeakPolarHBondContact CZ3-OE2 3.37Å; P304-E308 HydrophobicContact CB-CB 4.31Å; I305-E308 HydrophobicContact CD1-CG 4.04Å; I305-E308 HydrophobicContact CG1-CB 3.94Å; I305-E308 HydrophobicContact CG1-CG 3.54Å; I305-E308 WeakPolarHBondContact CG1-OE2 3.33Å; I305-E308 WeakPolarHBondContact O-CA 3.14Å; I305-E308 PolarHBondContact O-N 3.47Å; P306-E308 VanDerWaalsContact C-N 3.28Å; P306-E308 PolarHBondContact O-N 3.02Å; E308-G310 PolarHBondContact O-N 3.27Å; E308-M311 HydrophobicContact CB-CE 4.1Å; E308-M311 HydrophobicContact CG-CE 3.82Å; E308-M311 WeakPolarHBondContact O-CA 3.43Å; E308-M311 WeakPolarHBondContact O-CB 3.36Å; E308-M311 PolarHBondContact O-N 3.38Å; E308-V312 PolarHBondContact O-N 3.37Å
309L75.4Confident78.8Confident88 Ų8866.6 Ų66.646%0.46137%0.373SS..Hα-helixtrans-58.3-36.3-178-124.6102.7000112.6P304 I305 P306 M311 V312P304-L309 HydrophobicContact CB-CD1 4.24Å; P304-L309 HydrophobicContact CG-CD1 4.07Å; I305-L309 PolarHBondContact O-N 3.25Å; P306-L309 PolarHBondContact O-N 3.29Å; L309-M311 PolarHBondContact O-N 2.88Å; L309-V312 PolarHBondContact O-N 3.23Å
310G71.9Confident78.5Confident81 Ų8169.8 Ų69.884%0.83539%0.387SS*.THydrogen-bonded Turntrans-70.3-9.5176.500000114.5E308E308-G310 PolarHBondContact O-N 3.27Å
311M69.4Low78.4Confident118 Ų11868.9 Ų68.958%0.58138%0.38SS*.THydrogen-bonded Turntrans-100.7-8.3176.3-60.8-173.4-85.700112.7E308 L309 Q313E308-M311 HydrophobicContact CB-CE 4.1Å; E308-M311 HydrophobicContact CG-CE 3.82Å; E308-M311 WeakPolarHBondContact O-CA 3.43Å; E308-M311 WeakPolarHBondContact O-CB 3.36Å; E308-M311 PolarHBondContact O-N 3.38Å; L309-M311 PolarHBondContact O-N 2.88Å; M311-Q313 PolarHBondContact O-N 2.93Å
312V72.9Confident78.5Confident17 Ų1769 Ų6910%0.10338%0.381CS..  trans-79.9116.2176-174.40000108.3W277 P304 E308 L309 D314 V315W277-V312 HydrophobicContact CB-CG1 4.12Å; W277-V312 HydrophobicContact CB-CG2 4.37Å; W277-V312 HydrophobicContact CD2-CG2 3.76Å; W277-V312 HydrophobicContact CE3-CG2 4Å; W277-V312 HydrophobicContact CG-CB 4.47Å; W277-V312 HydrophobicContact CG-CG1 4.33Å; W277-V312 HydrophobicContact CG-CG2 3.92Å; P304-V312 HydrophobicContact CB-CG2 3.89Å; P304-V312 HydrophobicContact CG-CG2 4.11Å; E308-V312 PolarHBondContact O-N 3.37Å; L309-V312 PolarHBondContact O-N 3.23Å; V312-D314 VanDerWaalsContact C-N 3.34Å; V312-D314 WeakPolarHBondContact CG1-O 3.46Å; V312-D314 PolarHBondContact O-N 2.86Å; V312-V315 HydrophobicContact CB-CG1 4.03Å; V312-V315 HydrophobicContact CG1-CG1 3.83Å
313Q73.5Confident78.8Confident156 Ų15667.7 Ų67.773%0.72937%0.37SS*.SBendtrans-62.8-42.3-179.7-69.7-175.9-6.600112.2M311M311-Q313 PolarHBondContact O-N 2.93Å
314D79.9Confident79.6Confident38 Ų3866.5 Ų66.520%0.20336%0.361CS..  trans-141.5113.6177.6-175.6-11.9000109V312 T316 F317 K320V312-D314 VanDerWaalsContact C-N 3.34Å; V312-D314 WeakPolarHBondContact CG1-O 3.46Å; V312-D314 PolarHBondContact O-N 2.86Å; D314-T316 VanDerWaalsContact C-N 3.26Å; D314-T316 PolarHBondContact O-N 3Å; D314-T316 WeakPolarHBondContact OD1-CA 3.37Å; D314-T316 WeakPolarHBondContact OD1-CB 3.43Å; D314-T316 PolarHBondContact OD1-N 2.89Å; D314-T316 PolarHBondContact OD1-OG1 3.22Å; D314-F317 HydrophobicContact CB-CB 4.48Å; D314-F317 WeakPolarHBondContact O-CD1 3.48Å; D314-F317 PolarHBondContact OD1-N 3.02Å; D314-K320 WeakPolarHBondContact OD2-CD 3.04Å; D314-K320 VanDerWaalsContact OD2-CE 3.26Å; D314-K320 WeakPolarHBondContact OD2-CE 3.4Å; D314-K320 IonicContact OD2-NZ 3.48Å; D314-K320 PolarHBondContact OD2-NZ 3.24Å
315V80.4Confident80.5Confident92 Ų9269.2 Ų69.256%0.55837%0.373SS*.THydrogen-bonded Turntrans-74.9-16.4178.8-66.40000113.1V312V312-V315 HydrophobicContact CB-CG1 4.03Å; V312-V315 HydrophobicContact CG1-CG1 3.83Å
316T85.8Confident81Confident58 Ų5869.1 Ų69.136%0.35637%0.374SS..THydrogen-bonded Turntrans-9910.2-179.664.70000113.1D314 V318 D319 K320D314-T316 VanDerWaalsContact C-N 3.26Å; D314-T316 PolarHBondContact O-N 3Å; D314-T316 WeakPolarHBondContact OD1-CA 3.37Å; D314-T316 WeakPolarHBondContact OD1-CB 3.43Å; D314-T316 PolarHBondContact OD1-N 2.89Å; D314-T316 PolarHBondContact OD1-OG1 3.22Å; T316-V318 PolarHBondContact O-N 3.48Å; T316-D319 WeakPolarHBondContact O-CB 3.29Å; T316-D319 PolarHBondContact O-N 3.38Å; T316-K320 PolarHBondContact O-N 3Å; T316-K320 WeakPolarHBondContact OG1-CE 3.29Å
317F86.6Confident81.5Confident20 Ų2066 Ų669%0.08836%0.36CS..Hα-helixtrans-50.9-35.2-178.273.3-87.2000113.5I274 W277 P278 I282 D314 A321I274-F317 HydrophobicContact CD1-CD2 4.27Å; I274-F317 HydrophobicContact CD1-CE2 3.63Å; I274-F317 HydrophobicContact CG2-CE2 4.32Å; I274-F317 HydrophobicContact CG2-CZ 4.37Å; W277-F317 HydrophobicContact CB-CE1 4.49Å; P278-F317 HydrophobicContact CG-CB 4.49Å; P278-F317 HydrophobicContact CG-CD2 3.96Å; P278-F317 HydrophobicContact CG-CE2 4.34Å; P278-F317 HydrophobicContact CG-CG 4.14Å; I282-F317 HydrophobicContact CD1-CD2 4.19Å; D314-F317 HydrophobicContact CB-CB 4.48Å; D314-F317 WeakPolarHBondContact O-CD1 3.48Å; D314-F317 PolarHBondContact OD1-N 3.02Å; F317-A321 VanDerWaalsContact O-CB 3.23Å; F317-A321 WeakPolarHBondContact O-CB 3.44Å; F317-A321 PolarHBondContact O-N 2.85Å
318V88.6Confident82.2Confident20 Ų2060.1 Ų60.112%0.12133%0.332CS..Hα-helixtrans-60.7-49.4177178.10000110.5I298 T316 K320 A321 V322I298-V318 HydrophobicContact CB-CG1 4.02Å; I298-V318 HydrophobicContact CG1-CG1 4.29Å; I298-V318 HydrophobicContact CG2-CG1 4.23Å; I298-V318 HydrophobicContact CG2-CG2 4.04Å; T316-V318 PolarHBondContact O-N 3.48Å; V318-K320 VanDerWaalsContact C-N 3.26Å; V318-K320 PolarHBondContact O-N 2.98Å; V318-A321 PolarHBondContact O-N 3.17Å; V318-V322 HydrophobicContact CG1-CG1 4.48Å; V318-V322 WeakPolarHBondContact O-CG1 3.32Å; V318-V322 WeakPolarHBondContact O-CG2 3.32Å; V318-V322 PolarHBondContact O-N 2.83Å
319D88.8Confident83.3Confident62 Ų6257 Ų5733%0.33232%0.318SS..Hα-helixtrans-68.2-30.8-173.4-64-10.2000111.7T316 V322 N325T316-D319 WeakPolarHBondContact O-CB 3.29Å; T316-D319 PolarHBondContact O-N 3.38Å; D319-V322 WeakPolarHBondContact O-CG2 2.96Å; D319-N325 HydrophobicContact CB-CB 4.18Å; D319-N325 WeakPolarHBondContact CB-ND2 3.41Å; D319-N325 VanDerWaalsContact CG-CG 3.42Å; D319-N325 PolarHBondContact OD1-OD1 2.84Å; D319-N325 PolarHBondContact OD2-ND2 2.94Å
320K87.2Confident84.1Confident66 Ų6654.4 Ų54.429%0.28731%0.307SS..Hα-helixtrans-79.4-32.7177.4-68170.3162.7-158.50113.4E283 R290 D314 T316 V318E283-K320 HydrophobicContact CB-CB 4.16Å; E283-K320 HydrophobicContact CB-CD 4.32Å; E283-K320 HydrophobicContact CG-CB 4.11Å; E283-K320 HydrophobicContact CG-CD 4.31Å; E283-K320 WeakPolarHBondContact OE2-CD 3.32Å; E283-K320 WeakPolarHBondContact OE2-CE 3.49Å; E283-K320 IonicContact OE2-NZ 3.9Å; E283-K320 PolarHBondContact OE2-NZ 2.6Å; R290-K320 PolarHBondContact NH1-O 3.22Å; D314-K320 WeakPolarHBondContact OD2-CD 3.04Å; D314-K320 VanDerWaalsContact OD2-CE 3.26Å; D314-K320 WeakPolarHBondContact OD2-CE 3.4Å; D314-K320 IonicContact OD2-NZ 3.48Å; D314-K320 PolarHBondContact OD2-NZ 3.24Å; T316-K320 PolarHBondContact O-N 3Å; T316-K320 WeakPolarHBondContact OG1-CE 3.29Å; V318-K320 VanDerWaalsContact C-N 3.26Å; V318-K320 PolarHBondContact O-N 2.98Å
321A89.3Confident85.1Confident0 Ų051.8 Ų51.80%027%0.272CS..Hα-helixtrans-75.5-36.9-179.500000112.9I282 I298 F317 V318I282-A321 HydrophobicContact CB-CB 4.35Å; I282-A321 HydrophobicContact CG2-CB 3.39Å; I298-A321 HydrophobicContact CD1-CB 4.08Å; I298-A321 HydrophobicContact CG1-CB 4.19Å; F317-A321 VanDerWaalsContact O-CB 3.23Å; F317-A321 WeakPolarHBondContact O-CB 3.44Å; F317-A321 PolarHBondContact O-N 2.85Å; V318-A321 PolarHBondContact O-N 3.17Å
322V90.9Very high86.1Confident5 Ų549.9 Ų49.93%0.0326%0.262CS..SBendtrans-74.7165.8-174.8-64.50000112.7R290 I298 V318 D319 R324 F329R290-V322 PolarHBondContact NH1-O 3.3Å; R290-V322 VanDerWaalsContact NH1-O 3.14Å; I298-V322 HydrophobicContact CB-CG1 4.44Å; I298-V322 HydrophobicContact CG1-CG1 3.81Å; V318-V322 HydrophobicContact CG1-CG1 4.48Å; V318-V322 WeakPolarHBondContact O-CG1 3.32Å; V318-V322 WeakPolarHBondContact O-CG2 3.32Å; V318-V322 PolarHBondContact O-N 2.83Å; D319-V322 WeakPolarHBondContact O-CG2 2.96Å; V322-R324 WeakPolarHBondContact CG2-O 3.29Å; V322-F329 HydrophobicContact CB-CB 3.57Å; V322-F329 HydrophobicContact CB-CG 4.33Å; V322-F329 HydrophobicContact CG1-CB 3.58Å; V322-F329 HydrophobicContact CG2-CB 4.32Å
323C84.6Confident87Confident9 Ų949.1 Ų49.16%0.06126%0.257CS..SBendtrans-60.8-45.9175.8-73.40000113.5N295 F329 C358 I402N295-C323 VanDerWaalsContact CA-SG 3.58Å; C323-F329 HydrophobicContact CB-CD1 4.16Å; C323-F329 HydrophobicContact CB-CD2 3.91Å; C323-F329 HydrophobicContact CB-CE1 3.86Å; C323-F329 HydrophobicContact CB-CE2 3.59Å; C323-F329 HydrophobicContact CB-CG 4.18Å; C323-F329 HydrophobicContact CB-CZ 3.55Å; C323-C358 WeakPolarHBondContact CA-SG 3.23Å; C323-C358 HydrophobicContact CB-CB 4.19Å; C323-C358 WeakPolarHBondContact CB-SG 3.16Å; C323-C358 WeakPolarHBondContact SG-CB 3.29Å; C323-C358 CovalentContact SG-SG 2Å; C323-C358 PolarHBondContact SG-SG 2.94Å; C323-I402 WeakPolarHBondContact O-CD1 3.24Å
324R83.6Confident87.7Confident129 Ų12944.3 Ų44.349%0.48724%0.24SC..  trans-150.2137.1-179.4-166.2171.5-176175.32.2108.8V322 N326 F329V322-R324 WeakPolarHBondContact CG2-O 3.29Å; R324-N326 HydrophobicContact CG-CB 4.38Å; R324-N326 PolarHBondContact O-N 3.16Å; R324-N326 PolarHBondContact O-OD1 3.07Å; R324-F329 HydrophobicContact CB-CD2 4.48Å; R324-F329 HydrophobicContact CB-CE2 4.25Å
325N85.1Confident88.1Confident99 Ų9945.7 Ų45.753%0.52925%0.247SC..THydrogen-bonded Turntrans-79.773.4173.8-170.65.9000110.9D319D319-N325 HydrophobicContact CB-CB 4.18Å; D319-N325 WeakPolarHBondContact CB-ND2 3.41Å; D319-N325 VanDerWaalsContact CG-CG 3.42Å; D319-N325 PolarHBondContact OD1-OD1 2.84Å; D319-N325 PolarHBondContact OD2-ND2 2.94Å
326N85.3Confident88.5Confident83 Ų8342 Ų4244%0.44422%0.223SC..THydrogen-bonded Turntrans-123.711.2177.868.7-5.9000112.8R324 F328R324-N326 HydrophobicContact CG-CB 4.38Å; R324-N326 PolarHBondContact O-N 3.16Å; R324-N326 PolarHBondContact O-OD1 3.07Å; N326-F328 PolarHBondContact O-N 2.86Å; N326-F328 WeakPolarHBondContact OD1-CB 3.49Å; N326-F328 PolarHBondContact OD1-N 3.16Å
327G86.8Confident88.5Confident38 Ų3845.8 Ų45.839%0.39224%0.235SC..THydrogen-bonded Turntrans74.2-4.4-176.700000115.8K349G327-K349 PolarHBondContact O-NZ 3.1Å
328F90.6Very high88.6Confident17 Ų1747.5 Ų47.58%0.07526%0.258CS..THydrogen-bonded Turntrans-75.1-47.3177.8179.5-113.7000111.7F297 N326 K349 Q355F297-F328 HydrophobicContact CE1-CD1 4.31Å; F297-F328 HydrophobicContact CE1-CE1 4.06Å; F297-F328 HydrophobicContact CE1-CZ 4.31Å; F297-F328 WeakPolarHBondContact CE1-O 3.28Å; F297-F328 HydrophobicContact CZ-CD1 4.08Å; F297-F328 AromaticContact CZ-CE1 3.52Å; F297-F328 HydrophobicContact CZ-CE1 3.52Å; F297-F328 AromaticContact CZ-CZ 3.95Å; F297-F328 HydrophobicContact CZ-CZ 3.95Å; N326-F328 PolarHBondContact O-N 2.86Å; N326-F328 WeakPolarHBondContact OD1-CB 3.49Å; N326-F328 PolarHBondContact OD1-N 3.16Å; F328-K349 HydrophobicContact CD2-CD 4.47Å; F328-K349 HydrophobicContact CD2-CG 4.19Å; F328-K349 HydrophobicContact CE2-CB 3.86Å; F328-K349 HydrophobicContact CE2-CG 3.81Å; F328-K349 HydrophobicContact CZ-CB 4.21Å; F328-K349 VanDerWaalsContact CZ-O 3.29Å; F328-K349 WeakPolarHBondContact CZ-O 3.26Å; F328-K349 WeakPolarHBondContact O-CD 3.48Å; F328-K349 WeakPolarHBondContact O-CE 3.34Å; F328-K349 PolarHBondContact O-NZ 2.87Å; F328-Q355 HydrophobicContact CD1-CB 3.92Å; F328-Q355 HydrophobicContact CE1-CB 3.43Å; F328-Q355 VanDerWaalsContact CE1-CB 3.43Å; F328-Q355 HydrophobicContact CE2-CB 4.14Å; F328-Q355 HydrophobicContact CG-CB 4.44Å; F328-Q355 HydrophobicContact CZ-CB 3.55Å; F328-Q355 HydrophobicContact CZ-CG 4.44Å
329F92.4Very high88.8Confident1 Ų147 Ų470%0.00426%0.255CS..SBendtrans-81.3-13.7-176.1-63.3-79.1000114.2N295 F297 I298 V322 C323 R324 Q355 M357N295-F329 HydrophobicContact CB-CE1 4.14Å; F297-F329 CarbonylContact C-O 3.56Å; F297-F329 VanDerWaalsContact CA-O 3.24Å; F297-F329 WeakPolarHBondContact CA-O 3.49Å; F297-F329 HydrophobicContact CD2-CD1 4.06Å; F297-F329 HydrophobicContact CE1-CD1 4.24Å; F297-F329 AromaticContact CE2-CD1 3.71Å; F297-F329 HydrophobicContact CE2-CD1 3.71Å; F297-F329 AromaticContact CE2-CE1 3.98Å; F297-F329 HydrophobicContact CE2-CE1 3.98Å; F297-F329 HydrophobicContact CG-CD1 4.48Å; F297-F329 AromaticContact CZ-CD1 3.82Å; F297-F329 HydrophobicContact CZ-CD1 3.82Å; F297-F329 HydrophobicContact CZ-CE1 4.12Å; I298-F329 PolarHBondContact N-O 3.09Å; V322-F329 HydrophobicContact CB-CB 3.57Å; V322-F329 HydrophobicContact CB-CG 4.33Å; V322-F329 HydrophobicContact CG1-CB 3.58Å; V322-F329 HydrophobicContact CG2-CB 4.32Å; C323-F329 HydrophobicContact CB-CD1 4.16Å; C323-F329 HydrophobicContact CB-CD2 3.91Å; C323-F329 HydrophobicContact CB-CE1 3.86Å; C323-F329 HydrophobicContact CB-CE2 3.59Å; C323-F329 HydrophobicContact CB-CG 4.18Å; C323-F329 HydrophobicContact CB-CZ 3.55Å; R324-F329 HydrophobicContact CB-CD2 4.48Å; R324-F329 HydrophobicContact CB-CE2 4.25Å; F329-Q355 VanDerWaalsContact CZ-O 3.25Å; F329-Q355 WeakPolarHBondContact CZ-O 3.43Å; F329-M357 HydrophobicContact CE2-CG 4.5Å; F329-M357 HydrophobicContact CZ-CB 4.33Å; F329-M357 HydrophobicContact CZ-CG 4.39Å
330S92.2Very high89Confident34 Ų3448.3 Ų48.324%0.23827%0.266CS..EExtended strand (participates in β ladder)trans-96.1140.3173.856.80000110.9K349S330-K349 PolarHBondContact O-NZ 3.24Å
331Y92.4Very high89.3Confident26 Ų2652.3 Ų52.310%0.10228%0.283CS..EExtended strand (participates in β ladder)trans-143.8115.2-179.9-165.8-109000110.8I298 V299 S300 M333 Y342 P345 L346 K349I298-Y331 PolarHBondContact O-N 3.01Å; V299-Y331 CarbonylContact C-O 3.58Å; V299-Y331 VanDerWaalsContact CA-O 3.23Å; V299-Y331 WeakPolarHBondContact CA-O 3.39Å; V299-Y331 HydrophobicContact CG1-CD1 4.18Å; V299-Y331 HydrophobicContact CG2-CD1 4.39Å; S300-Y331 PolarHBondContact N-O 2.74Å; Y331-M333 HydrophobicContact CD1-CG 4.45Å; Y331-M333 HydrophobicContact CE1-CG 4.18Å; Y331-M333 HydrophobicContact CE1-SD 4.44Å; Y331-Y342 HydrophobicContact CE1-CD1 4.06Å; Y331-Y342 HydrophobicContact CE1-CG 4.46Å; Y331-Y342 AromaticContact CZ-CD1 3.91Å; Y331-Y342 VanDerWaalsContact OH-CA 3.23Å; Y331-Y342 WeakPolarHBondContact OH-CA 3.5Å; Y331-Y342 WeakPolarHBondContact OH-CB 3.43Å; Y331-Y342 WeakPolarHBondContact OH-CD1 3.49Å; Y331-Y342 PolarHBondContact OH-O 2.98Å; Y331-P345 HydrophobicContact CE2-CB 4.21Å; Y331-L346 HydrophobicContact CD1-CB 4.4Å; Y331-L346 HydrophobicContact CD1-CD1 4.3Å; Y331-L346 HydrophobicContact CE1-CB 4.08Å; Y331-L346 HydrophobicContact CG-CD1 4.39Å; Y331-K349 HydrophobicContact CD2-CD 4.24Å
332H90.6Very high89.6Confident78 Ų7854.2 Ų54.236%0.36129%0.29SS..EExtended strand (participates in β ladder)trans-105.1131.4-173.3173.9-89.7000111.9K303K303-H332 WeakPolarHBondContact CG-NE2 2.92Å
333M91.8Very high89.9Confident0 Ų054.3 Ų54.30%029%0.291CS..EExtended strand (participates in β ladder)trans-118.1134.2172.1-71.117639.200110.2F187 V299 S300 V301 A302 Y331 N335 W336 T339 Y342F187-M333 HydrophobicContact CD2-CE 4.36Å; F187-M333 HydrophobicContact CE1-SD 4.16Å; F187-M333 HydrophobicContact CE2-CE 4.2Å; F187-M333 HydrophobicContact CE2-SD 3.94Å; F187-M333 HydrophobicContact CZ-CE 4.48Å; F187-M333 HydrophobicContact CZ-SD 3.7Å; V299-M333 HydrophobicContact CG1-SD 4.01Å; S300-M333 PolarHBondContact O-N 3.1Å; V301-M333 WeakPolarHBondContact CA-O 3.46Å; V301-M333 HydrophobicContact CG2-CB 4.3Å; A302-M333 PolarHBondContact N-O 2.77Å; Y331-M333 HydrophobicContact CD1-CG 4.45Å; Y331-M333 HydrophobicContact CE1-CG 4.18Å; Y331-M333 HydrophobicContact CE1-SD 4.44Å; M333-N335 VanDerWaalsContact C-N 3.35Å; M333-N335 PolarHBondContact O-N 3.01Å; M333-W336 HydrophobicContact CE-CE3 4.36Å; M333-W336 HydrophobicContact CE-CZ3 4.4Å; M333-T339 HydrophobicContact CE-CG2 3.32Å; M333-Y342 HydrophobicContact CG-CD1 3.7Å; M333-Y342 HydrophobicContact CG-CD2 4.24Å; M333-Y342 HydrophobicContact CG-CE1 4.19Å; M333-Y342 HydrophobicContact CG-CG 3.75Å; M333-Y342 HydrophobicContact SD-CG 4.2Å
334P88Confident90.4Very high56 Ų5659.5 Ų59.536%0.36431%0.313SS..SBendtrans-70.1-32.3-175.927.6-34.3000112.9Y342P334-Y342 VanDerWaalsContact CD-CZ 3.42Å; P334-Y342 WeakPolarHBondContact CD-OH 3.33Å; P334-Y342 WeakPolarHBondContact CG-OH 3.45Å
335N88.8Confident91Very high67 Ų6755.7 Ų55.736%0.35830%0.304SS..  trans-168.7175.2178.655.271.2000110.5M333 F337M333-N335 VanDerWaalsContact C-N 3.35Å; M333-N335 PolarHBondContact O-N 3.01Å; N335-F337 HydrophobicContact CB-CD2 4.47Å; N335-F337 PolarHBondContact O-N 3Å; N335-F337 WeakPolarHBondContact OD1-CA 3.25Å; N335-F337 VanDerWaalsContact OD1-CB 3.27Å; N335-F337 WeakPolarHBondContact OD1-CB 3.49Å; N335-F337 PolarHBondContact OD1-N 3.38Å; N335-F337 PolarHBondContact OD1-O 3.26Å; N335-F337 VanDerWaalsContact OD1-O 3.14Å
336W88.5Confident91.5Very high14 Ų1451 Ų515%0.05328%0.279CS..SBendtrans-77.85177.6-67111.9000115.3I176 L183 Q184 F187 F273 D275 V301 M333 T339I176-W336 HydrophobicContact CD1-CZ2 4.31Å; L183-W336 HydrophobicContact CB-CB 3.96Å; L183-W336 HydrophobicContact CB-CD2 4.36Å; L183-W336 HydrophobicContact CB-CE3 4.45Å; L183-W336 HydrophobicContact CB-CG 4.19Å; L183-W336 HydrophobicContact CD1-CB 3.6Å; L183-W336 HydrophobicContact CD1-CG 4.31Å; L183-W336 HydrophobicContact CG-CB 4.38Å; Q184-W336 HydrophobicContact CB-CH2 3.6Å; Q184-W336 HydrophobicContact CB-CZ2 3.91Å; Q184-W336 HydrophobicContact CB-CZ3 3.97Å; Q184-W336 HydrophobicContact CG-CH2 3.56Å; Q184-W336 HydrophobicContact CG-CZ2 4.1Å; Q184-W336 HydrophobicContact CG-CZ3 4.21Å; F187-W336 HydrophobicContact CB-CZ3 4.16Å; F187-W336 HydrophobicContact CG-CZ3 4.48Å; F273-W336 HydrophobicContact CD1-CH2 4.02Å; D275-W336 HydrophobicContact CB-CZ2 4.29Å; D275-W336 PolarHBondContact OD2-NE1 2.87Å; V301-W336 HydrophobicContact CB-CZ2 4.06Å; V301-W336 HydrophobicContact CG1-CD2 4.06Å; V301-W336 HydrophobicContact CG1-CG 4.15Å; V301-W336 HydrophobicContact CG1-CZ2 4.29Å; V301-W336 HydrophobicContact CG2-CD2 4.39Å; V301-W336 HydrophobicContact CG2-CH2 3.64Å; V301-W336 HydrophobicContact CG2-CZ2 3.51Å; V301-W336 HydrophobicContact CG2-CZ3 4.15Å; M333-W336 HydrophobicContact CE-CE3 4.36Å; M333-W336 HydrophobicContact CE-CZ3 4.4Å; W336-T339 HydrophobicContact CE3-CG2 4.4Å; W336-T339 VanDerWaalsContact O-CG2 3.25Å; W336-T339 WeakPolarHBondContact O-CG2 3.48Å
337F87.1Confident92Very high137 Ų13747.5 Ų47.560%0.60126%0.261SS*.SBendtrans-99.7142.3176.3-58-85.6000111.1N335 T339N335-F337 HydrophobicContact CB-CD2 4.47Å; N335-F337 PolarHBondContact O-N 3Å; N335-F337 WeakPolarHBondContact OD1-CA 3.25Å; N335-F337 VanDerWaalsContact OD1-CB 3.27Å; N335-F337 WeakPolarHBondContact OD1-CB 3.49Å; N335-F337 PolarHBondContact OD1-N 3.38Å; N335-F337 PolarHBondContact OD1-O 3.26Å; N335-F337 VanDerWaalsContact OD1-O 3.14Å; F337-T339 PolarHBondContact O-N 2Å
338G88.5Confident92.4Very high56 Ų5650.9 Ų50.958%0.57727%0.267SS*.SBendtrans65.225.7-179.500000114.2T340G338-T340 PolarHBondContact O-N 3.14Å; G338-T340 VanDerWaalsContact O-N 3.14Å
339T92.3Very high92.6Very high11 Ų1152.1 Ų52.17%0.06727%0.272CS..THydrogen-bonded Turntrans-67-16.3-171.560.40000114.4F187 M333 W336 F337 K341 Y342F187-T339 VanDerWaalsContact CD2-CB 3.48Å; F187-T339 HydrophobicContact CD2-CG2 4.41Å; F187-T339 WeakPolarHBondContact CE2-O 3.43Å; M333-T339 HydrophobicContact CE-CG2 3.32Å; W336-T339 HydrophobicContact CE3-CG2 4.4Å; W336-T339 VanDerWaalsContact O-CG2 3.25Å; W336-T339 WeakPolarHBondContact O-CG2 3.48Å; F337-T339 PolarHBondContact O-N 2Å; T339-K341 PolarHBondContact O-N 2.95Å; T339-K341 VanDerWaalsContact O-N 3.15Å; T339-Y342 WeakPolarHBondContact O-CB 3.38Å; T339-Y342 PolarHBondContact O-N 2.84Å
340T92.6Very high92.7Very high89 Ų8952.1 Ų52.155%0.54627%0.272SS..Hα-helixtrans-54.9-35.9-178.6-520000112.9K190 G338 Y342 V343K190-T340 PolarHBondContact NZ-OG1 3.12Å; G338-T340 PolarHBondContact O-N 3.14Å; G338-T340 VanDerWaalsContact O-N 3.14Å; T340-Y342 PolarHBondContact O-N 3.09Å; T340-V343 PolarHBondContact O-N 2.85Å
341K94.5Very high92.7Very high149 Ų14951.9 Ų51.965%0.64827%0.27SS*.Hα-helixtrans-66.4-18178.571-175.2178.3176.20113.9T339 P345T339-K341 PolarHBondContact O-N 2.95Å; T339-K341 VanDerWaalsContact O-N 3.15Å; K341-P345 WeakPolarHBondContact O-CD 3.47Å
342Y95.4Very high92.6Very high40 Ų4052.9 Ų52.916%0.15728%0.279CS..Hα-helixtrans-92.7-11.5-179.5-63.7-86.7000113.2Y331 M333 P334 T339 T340 L346Y331-Y342 HydrophobicContact CE1-CD1 4.06Å; Y331-Y342 HydrophobicContact CE1-CG 4.46Å; Y331-Y342 AromaticContact CZ-CD1 3.91Å; Y331-Y342 VanDerWaalsContact OH-CA 3.23Å; Y331-Y342 WeakPolarHBondContact OH-CA 3.5Å; Y331-Y342 WeakPolarHBondContact OH-CB 3.43Å; Y331-Y342 WeakPolarHBondContact OH-CD1 3.49Å; Y331-Y342 PolarHBondContact OH-O 2.98Å; M333-Y342 HydrophobicContact CG-CD1 3.7Å; M333-Y342 HydrophobicContact CG-CD2 4.24Å; M333-Y342 HydrophobicContact CG-CE1 4.19Å; M333-Y342 HydrophobicContact CG-CG 3.75Å; M333-Y342 HydrophobicContact SD-CG 4.2Å; P334-Y342 VanDerWaalsContact CD-CZ 3.42Å; P334-Y342 WeakPolarHBondContact CD-OH 3.33Å; P334-Y342 WeakPolarHBondContact CG-OH 3.45Å; T339-Y342 WeakPolarHBondContact O-CB 3.38Å; T339-Y342 PolarHBondContact O-N 2.84Å; T340-Y342 PolarHBondContact O-N 3.09Å; Y342-L346 WeakPolarHBondContact O-CB 3.38Å; Y342-L346 PolarHBondContact O-N 2.95Å
343V96.4Very high92.3Very high7 Ų754.1 Ų54.14%0.04228%0.284CS..Hα-helixtrans-67.4-51-178.8177.70000111.1F187 K190 V191 M194 T340 L346 V347F187-V343 HydrophobicContact CD2-CG2 3.99Å; F187-V343 HydrophobicContact CE2-CG2 3.58Å; F187-V343 HydrophobicContact CZ-CG2 4.29Å; K190-V343 HydrophobicContact CB-CG1 4.37Å; K190-V343 HydrophobicContact CB-CG2 3.89Å; K190-V343 HydrophobicContact CD-CG2 4.42Å; V191-V343 HydrophobicContact CG2-CG1 4.07Å; V191-V343 HydrophobicContact CG2-CG2 4.42Å; M194-V343 HydrophobicContact CB-CG1 4.04Å; M194-V343 HydrophobicContact SD-CG1 3.85Å; T340-V343 PolarHBondContact O-N 2.85Å; V343-L346 PolarHBondContact O-N 3.32Å; V343-V347 HydrophobicContact CG1-CG2 4.4Å; V343-V347 WeakPolarHBondContact O-CG2 3.47Å; V343-V347 PolarHBondContact O-N 3.14Å
344K95.7Very high91.7Very high119 Ų11962.6 Ų62.652%0.51732%0.324SS..Hα-helixtrans-60.7-49.7-176.6177.2175.6-177.6-176.10112.9M194 L346 V347 Q348M194-K344 HydrophobicContact CE-CB 3.57Å; M194-K344 HydrophobicContact CE-CD 4.04Å; M194-K344 HydrophobicContact CE-CG 3.54Å; M194-K344 HydrophobicContact SD-CB 3.91Å; K344-L346 VanDerWaalsContact C-N 3.33Å; K344-L346 PolarHBondContact O-N 3.25Å; K344-V347 PolarHBondContact O-N 2.79Å; K344-Q348 WeakPolarHBondContact O-CG 3.41Å; K344-Q348 PolarHBondContact O-N 3.49Å
345P95.6Very high91.5Very high48 Ų4864.3 Ų64.331%0.31233%0.327SS..Hα-helixtrans-63.9-36.9179.1-21.733.6000113.1Y331 K341 Q348 K349Y331-P345 HydrophobicContact CE2-CB 4.21Å; K341-P345 WeakPolarHBondContact O-CD 3.47Å; P345-Q348 PolarHBondContact O-N 3.04Å; P345-K349 PolarHBondContact O-N 2.97Å
346L96.1Very high91.5Very high0 Ų061.5 Ų61.50%031%0.312CS..Hα-helixtrans-63.9-47.4175.5179.959.7000111.2F187 V191 F273 V299 Y331 Y342 V343 K344 Q348 K349 L350F187-L346 HydrophobicContact CE1-CD2 3.84Å; F187-L346 HydrophobicContact CZ-CD2 4.08Å; V191-L346 HydrophobicContact CG2-CD2 4.1Å; F273-L346 HydrophobicContact CZ-CD2 4.47Å; V299-L346 HydrophobicContact CG2-CD1 4.21Å; V299-L346 HydrophobicContact CG2-CD2 4.1Å; Y331-L346 HydrophobicContact CD1-CB 4.4Å; Y331-L346 HydrophobicContact CD1-CD1 4.3Å; Y331-L346 HydrophobicContact CE1-CB 4.08Å; Y331-L346 HydrophobicContact CG-CD1 4.39Å; Y342-L346 WeakPolarHBondContact O-CB 3.38Å; Y342-L346 PolarHBondContact O-N 2.95Å; V343-L346 PolarHBondContact O-N 3.32Å; K344-L346 VanDerWaalsContact C-N 3.33Å; K344-L346 PolarHBondContact O-N 3.25Å; L346-Q348 VanDerWaalsContact C-N 3.29Å; L346-Q348 PolarHBondContact O-N 2.92Å; L346-K349 PolarHBondContact O-N 3.46Å; L346-L350 HydrophobicContact CD1-CD1 4.31Å; L346-L350 HydrophobicContact CD1-CG 4.24Å; L346-L350 HydrophobicContact CG-CD1 4.05Å; L346-L350 HydrophobicContact CG-CG 4.41Å; L346-L350 VanDerWaalsContact O-CG 3.3Å; L346-L350 WeakPolarHBondContact O-CG 3.26Å; L346-L350 PolarHBondContact O-N 2.97Å
347V96.1Very high91Very high10 Ų1062.2 Ų62.26%0.06132%0.316CS..Hα-helixtrans-58.6-42.5176169.80000111.4V191 M194 L195 V343 K344 K349 L350 C351V191-V347 HydrophobicContact CG1-CG2 3.86Å; M194-V347 HydrophobicContact CB-CG2 4.07Å; M194-V347 HydrophobicContact CG-CB 4.43Å; M194-V347 HydrophobicContact CG-CG1 4.3Å; M194-V347 HydrophobicContact CG-CG2 4.1Å; L195-V347 HydrophobicContact CD2-CG1 4.11Å; L195-V347 HydrophobicContact CD2-CG2 4.37Å; L195-V347 HydrophobicContact CG-CG2 4.21Å; V343-V347 HydrophobicContact CG1-CG2 4.4Å; V343-V347 WeakPolarHBondContact O-CG2 3.47Å; V343-V347 PolarHBondContact O-N 3.14Å; K344-V347 PolarHBondContact O-N 2.79Å; V347-K349 PolarHBondContact O-N 2.96Å; V347-L350 PolarHBondContact O-N 2.95Å; V347-C351 WeakPolarHBondContact O-CB 3.22Å; V347-C351 PolarHBondContact O-N 2.78Å; V347-C351 PolarHBondContact O-SG 3.14Å
348Q94.4Very high90.9Very high110 Ų11056.1 Ų56.151%0.51429%0.29SS..Hα-helixtrans-57.9-47.9175.8-74.4174.1-40.400111.5K344 P345 L346 L350 C351 T352K344-Q348 WeakPolarHBondContact O-CG 3.41Å; K344-Q348 PolarHBondContact O-N 3.49Å; P345-Q348 PolarHBondContact O-N 3.04Å; L346-Q348 VanDerWaalsContact C-N 3.29Å; L346-Q348 PolarHBondContact O-N 2.92Å; Q348-L350 PolarHBondContact O-N 3.45Å; Q348-C351 PolarHBondContact O-N 3.12Å; Q348-T352 PolarHBondContact O-N 3.45Å; Q348-T352 PolarHBondContact O-OG1 3.22Å
349K94.5Very high90.7Very high42 Ų4254 Ų5418%0.18327%0.267CS..Hα-helixtrans-58.5-46.3175.2-72.4-176.7164.1-1530112.3F297 G327 F328 S330 Y331 P345 L346 V347 C351 T352 M356F297-K349 HydrophobicContact CE1-CB 3.99Å; F297-K349 HydrophobicContact CE1-CD 4.5Å; G327-K349 PolarHBondContact O-NZ 3.1Å; F328-K349 HydrophobicContact CD2-CD 4.47Å; F328-K349 HydrophobicContact CD2-CG 4.19Å; F328-K349 HydrophobicContact CE2-CB 3.86Å; F328-K349 HydrophobicContact CE2-CG 3.81Å; F328-K349 HydrophobicContact CZ-CB 4.21Å; F328-K349 VanDerWaalsContact CZ-O 3.29Å; F328-K349 WeakPolarHBondContact CZ-O 3.26Å; F328-K349 WeakPolarHBondContact O-CD 3.48Å; F328-K349 WeakPolarHBondContact O-CE 3.34Å; F328-K349 PolarHBondContact O-NZ 2.87Å; S330-K349 PolarHBondContact O-NZ 3.24Å; Y331-K349 HydrophobicContact CD2-CD 4.24Å; P345-K349 PolarHBondContact O-N 2.97Å; L346-K349 PolarHBondContact O-N 3.46Å; V347-K349 PolarHBondContact O-N 2.96Å; K349-C351 PolarHBondContact O-N 2.81Å; K349-T352 PolarHBondContact O-N 2.83Å; K349-M356 WeakPolarHBondContact O-CE 3.34Å
350L94.7Very high90.2Very high1 Ų157.3 Ų57.31%0.00528%0.28CS..Hα-helixtrans-64.8-23.7-179-64.8173.7000113.5I166 V191 L195 V269 V271 F297 L346 V347 Q348 M356I166-L350 HydrophobicContact CD1-CB 4.46Å; I166-L350 HydrophobicContact CD1-CD1 4.48Å; V191-L350 HydrophobicContact CG1-CD1 4.31Å; L195-L350 HydrophobicContact CD2-CB 4.45Å; V269-L350 HydrophobicContact CG1-CD2 3.75Å; V271-L350 HydrophobicContact CG2-CD1 4.06Å; V271-L350 HydrophobicContact CG2-CD2 3.48Å; V271-L350 VanDerWaalsContact CG2-CD2 3.48Å; V271-L350 HydrophobicContact CG2-CG 4.43Å; F297-L350 HydrophobicContact CD1-CD2 4.37Å; F297-L350 HydrophobicContact CD2-CD2 3.98Å; F297-L350 HydrophobicContact CE2-CD2 4.15Å; F297-L350 HydrophobicContact CG-CD2 4.08Å; F297-L350 HydrophobicContact CZ-CD2 4.41Å; L346-L350 HydrophobicContact CD1-CD1 4.31Å; L346-L350 HydrophobicContact CD1-CG 4.24Å; L346-L350 HydrophobicContact CG-CD1 4.05Å; L346-L350 HydrophobicContact CG-CG 4.41Å; L346-L350 VanDerWaalsContact O-CG 3.3Å; L346-L350 WeakPolarHBondContact O-CG 3.26Å; L346-L350 PolarHBondContact O-N 2.97Å; V347-L350 PolarHBondContact O-N 2.95Å; Q348-L350 PolarHBondContact O-N 3.45Å; L350-M356 VanDerWaalsContact O-CE 3.3Å; L350-M356 WeakPolarHBondContact O-CE 3.42Å
351C93.1Very high89.7Confident29 Ų2955.2 Ų55.220%0.19627%0.267CS..THydrogen-bonded Turntrans-96.4-0.7179.8-58.40000113.7C162 V347 Q348 K349 H353C162-C351 HydrophobicContact CB-CB 3.63Å; C162-C351 WeakPolarHBondContact CB-SG 3.11Å; C162-C351 VanDerWaalsContact SG-CA 3.58Å; C162-C351 WeakPolarHBondContact SG-CB 3.46Å; C162-C351 CovalentContact SG-SG 2.03Å; C162-C351 PolarHBondContact SG-SG 3.33Å; V347-C351 WeakPolarHBondContact O-CB 3.22Å; V347-C351 PolarHBondContact O-N 2.78Å; V347-C351 PolarHBondContact O-SG 3.14Å; Q348-C351 PolarHBondContact O-N 3.12Å; K349-C351 PolarHBondContact O-N 2.81Å; C351-H353 PolarHBondContact O-N 3.24Å; C351-H353 VanDerWaalsContact O-N 3.12Å
352T91.1Very high89.4Confident47 Ų4748.6 Ų48.629%0.28824%0.24SC..  trans-84.882.2176.9-51.80000110.7Q348 K349 E354 Q355Q348-T352 PolarHBondContact O-N 3.45Å; Q348-T352 PolarHBondContact O-OG1 3.22Å; K349-T352 PolarHBondContact O-N 2.83Å; T352-E354 VanDerWaalsContact C-N 3.28Å; T352-E354 PolarHBondContact O-N 3.17Å; T352-Q355 HydrophobicContact CG2-CB 3.98Å; T352-Q355 HydrophobicContact CG2-CG 3.66Å; T352-Q355 PolarHBondContact O-N 2.83Å; T352-Q355 VanDerWaalsContact O-N 3.14Å
353H83.4Confident89.1Confident104 Ų10451.6 Ų51.648%0.48125%0.251SS..G310 helixtrans-51.7-43.6-177.117974.7000113.6P267 C351 Q355 M356P267-H353 WeakPolarHBondContact CD-ND1 3.32Å; P267-H353 VanDerWaalsContact CG-CE1 3.43Å; P267-H353 WeakPolarHBondContact CG-CE1 3.22Å; P267-H353 WeakPolarHBondContact CG-ND1 3.45Å; C351-H353 PolarHBondContact O-N 3.24Å; C351-H353 VanDerWaalsContact O-N 3.12Å; H353-Q355 PolarHBondContact O-N 3.09Å; H353-Q355 VanDerWaalsContact O-N 3.14Å; H353-M356 WeakPolarHBondContact O-CB 3.47Å; H353-M356 WeakPolarHBondContact O-CG 3.24Å; H353-M356 PolarHBondContact O-N 3.48Å; H353-M356 VanDerWaalsContact O-N 3.09Å
354E79.1Confident88.7Confident179 Ų17951.7 Ų51.784%0.83625%0.252SS*.G310 helixtrans-63.9-19.6-176.1-62.9173.4-176.400113.7T352T352-E354 VanDerWaalsContact C-N 3.28Å; T352-E354 PolarHBondContact O-N 3.17Å
355Q84.7Confident88.4Confident91 Ų9146.4 Ų46.443%0.42523%0.23SC..G310 helixtrans-96.13.5179.4-66.3-1724.900113.1F328 F329 T352 H353 M357F328-Q355 HydrophobicContact CD1-CB 3.92Å; F328-Q355 HydrophobicContact CE1-CB 3.43Å; F328-Q355 VanDerWaalsContact CE1-CB 3.43Å; F328-Q355 HydrophobicContact CE2-CB 4.14Å; F328-Q355 HydrophobicContact CG-CB 4.44Å; F328-Q355 HydrophobicContact CZ-CB 3.55Å; F328-Q355 HydrophobicContact CZ-CG 4.44Å; F329-Q355 VanDerWaalsContact CZ-O 3.25Å; F329-Q355 WeakPolarHBondContact CZ-O 3.43Å; T352-Q355 HydrophobicContact CG2-CB 3.98Å; T352-Q355 HydrophobicContact CG2-CG 3.66Å; T352-Q355 PolarHBondContact O-N 2.83Å; T352-Q355 VanDerWaalsContact O-N 3.14Å; H353-Q355 PolarHBondContact O-N 3.09Å; H353-Q355 VanDerWaalsContact O-N 3.14Å; Q355-M357 VanDerWaalsContact C-N 3.28Å; Q355-M357 PolarHBondContact O-N 3.49Å
356M87.3Confident88.3Confident9 Ų944.1 Ų44.14%0.04422%0.215CC..  trans-82.966-177.7-62.3-65174.900112.4P267 V269 N295 F297 K349 L350 H353 C358 S359P267-M356 HydrophobicContact CB-CB 4.12Å; P267-M356 HydrophobicContact CB-CG 4Å; P267-M356 HydrophobicContact CG-CB 4.31Å; P267-M356 HydrophobicContact CG-CG 4.19Å; V269-M356 HydrophobicContact CG2-CE 4.23Å; V269-M356 HydrophobicContact CG2-SD 4.09Å; N295-M356 HydrophobicContact CB-SD 3.96Å; N295-M356 VanDerWaalsContact OD1-CA 3.29Å; N295-M356 WeakPolarHBondContact OD1-CA 3.4Å; N295-M356 PolarHBondContact OD1-O 2.64Å; F297-M356 HydrophobicContact CE2-CE 3.85Å; F297-M356 HydrophobicContact CE2-SD 3.76Å; F297-M356 HydrophobicContact CZ-CE 3.89Å; F297-M356 HydrophobicContact CZ-SD 4.12Å; K349-M356 WeakPolarHBondContact O-CE 3.34Å; L350-M356 VanDerWaalsContact O-CE 3.3Å; L350-M356 WeakPolarHBondContact O-CE 3.42Å; H353-M356 WeakPolarHBondContact O-CB 3.47Å; H353-M356 WeakPolarHBondContact O-CG 3.24Å; H353-M356 PolarHBondContact O-N 3.48Å; H353-M356 VanDerWaalsContact O-N 3.09Å; M356-C358 VanDerWaalsContact C-N 3.28Å; M356-C358 PolarHBondContact O-N 2.86Å; M356-C358 VanDerWaalsContact O-N 3.16Å; M356-S359 WeakPolarHBondContact CB-OG 3.39Å; M356-S359 WeakPolarHBondContact O-CB 3.42Å; M356-S359 PolarHBondContact O-N 3.14Å; M356-S359 PolarHBondContact O-OG 2.9Å
357M78.4Confident88.4Confident28 Ų2844.1 Ų44.114%0.13822%0.215CC..THydrogen-bonded Turntrans-60.4-23.1-169.7-58.1-57.8-68.700116.1N295 F329 Q355 N364 E398N295-M357 PolarHBondContact OD1-N 3.41Å; F329-M357 HydrophobicContact CE2-CG 4.5Å; F329-M357 HydrophobicContact CZ-CB 4.33Å; F329-M357 HydrophobicContact CZ-CG 4.39Å; Q355-M357 VanDerWaalsContact C-N 3.28Å; Q355-M357 PolarHBondContact O-N 3.49Å; M357-N364 PolarHBondContact O-ND2 2.99Å; M357-E398 HydrophobicContact CE-CB 4.13Å; M357-E398 HydrophobicContact CE-CG 4.25Å
358C85.2Confident88.5Confident9 Ų943.6 Ų43.66%0.06121%0.212CC..THydrogen-bonded Turntrans-85.7-12.8176.4-68.80000113.2G293 V294 N295 C323 M356 K360G293-C358 CarbonylContact C-O 3.55Å; G293-C358 VanDerWaalsContact C-O 3.29Å; G293-C358 WeakPolarHBondContact CA-O 3.23Å; V294-C358 WeakPolarHBondContact O-CB 3.35Å; N295-C358 PolarHBondContact OD1-N 3.26Å; C323-C358 WeakPolarHBondContact CA-SG 3.23Å; C323-C358 HydrophobicContact CB-CB 4.19Å; C323-C358 WeakPolarHBondContact CB-SG 3.16Å; C323-C358 WeakPolarHBondContact SG-CB 3.29Å; C323-C358 CovalentContact SG-SG 2Å; C323-C358 PolarHBondContact SG-SG 2.94Å; M356-C358 VanDerWaalsContact C-N 3.28Å; M356-C358 PolarHBondContact O-N 2.86Å; M356-C358 VanDerWaalsContact O-N 3.16Å; C358-K360 PolarHBondContact O-N 3.3Å; C358-K360 VanDerWaalsContact O-N 3.16Å
359S83.3Confident88.7Confident11 Ų1138.4 Ų38.48%0.07719%0.187CC..SBendtrans-60.1124.2-179.8-48.90000108.5N295 M356 T361 N364N295-S359 PolarHBondContact ND2-OG 3.14Å; M356-S359 WeakPolarHBondContact CB-OG 3.39Å; M356-S359 WeakPolarHBondContact O-CB 3.42Å; M356-S359 PolarHBondContact O-N 3.14Å; M356-S359 PolarHBondContact O-OG 2.9Å; S359-T361 PolarHBondContact O-N 3.03Å; S359-N364 VanDerWaalsContact O-CG 3.31Å; S359-N364 PolarHBondContact O-ND2 3.42Å; S359-N364 PolarHBondContact O-OD1 2.93Å
360K81.9Confident88.9Confident82 Ų8236.4 Ų36.436%0.35718%0.179SC..  trans-65.8113.8175.1-71.5-169178.8-178.40109.8E291 C358 S365E291-K360 WeakPolarHBondContact O-CE 3.23Å; E291-K360 PolarHBondContact O-NZ 3.46Å; C358-K360 PolarHBondContact O-N 3.3Å; C358-K360 VanDerWaalsContact O-N 3.16Å; K360-S365 WeakPolarHBondContact CA-OG 3.48Å
361T82.9Confident89.1Confident44 Ų4436.3 Ų36.327%0.2718%0.179SC..  trans-133.4165.7175.672.20000109.2S359 Y363 N364 S365S359-T361 PolarHBondContact O-N 3.03Å; T361-Y363 PolarHBondContact O-N 3.45Å; T361-Y363 PolarHBondContact OG1-N 2.89Å; T361-N364 WeakPolarHBondContact CA-OD1 3.46Å; T361-N364 PolarHBondContact N-OD1 3.46Å; T361-N364 PolarHBondContact O-N 3.22Å; T361-N364 PolarHBondContact O-OD1 3.45Å; T361-N364 VanDerWaalsContact O-OD1 3.08Å; T361-N364 PolarHBondContact OG1-N 3.28Å; T361-N364 PolarHBondContact OG1-OD1 3.25Å; T361-S365 WeakPolarHBondContact O-CB 3.11Å; T361-S365 PolarHBondContact O-N 2.89Å
362C87.9Confident89.4Confident10 Ų1035 Ų357%0.06817%0.169CC..THydrogen-bonded Turntrans-60.7-25.3172.762.40000112.5N364 V366 F397 C542 F545C362-N364 VanDerWaalsContact C-N 3.35Å; C362-V366 WeakPolarHBondContact O-CG1 3.32Å; C362-V366 WeakPolarHBondContact O-CG2 3.05Å; C362-F397 WeakPolarHBondContact O-CD1 3.02Å; C362-F397 VanDerWaalsContact O-CE1 3.29Å; C362-F397 WeakPolarHBondContact O-CE1 3.45Å; C362-C542 VanDerWaalsContact CB-CA 3.46Å; C362-C542 HydrophobicContact CB-CB 3.64Å; C362-C542 WeakPolarHBondContact CB-SG 3.4Å; C362-C542 WeakPolarHBondContact SG-CB 3.24Å; C362-C542 CovalentContact SG-SG 2.04Å; C362-C542 PolarHBondContact SG-SG 3.39Å; C362-F545 HydrophobicContact CB-CB 3.8Å; C362-F545 HydrophobicContact CB-CD1 3.77Å; C362-F545 HydrophobicContact CB-CG 3.79Å
363Y89.1Confident89.7Confident103 Ų10332.7 Ų32.740%0.40416%0.155SC..THydrogen-bonded Turntrans-77.9-19-176.6-61.6-71.5000113.4T361 T396 F397 E398 I538T361-Y363 PolarHBondContact O-N 3.45Å; T361-Y363 PolarHBondContact OG1-N 2.89Å; Y363-T396 HydrophobicContact CD1-CG2 4.21Å; Y363-T396 HydrophobicContact CE1-CG2 3.93Å; Y363-F397 HydrophobicContact CD1-CD1 4.49Å; Y363-F397 CarbonylContact O-C 3.59Å; Y363-F397 WeakPolarHBondContact O-CA 3.29Å; Y363-E398 PolarHBondContact O-N 3.26Å; Y363-I538 HydrophobicContact CE1-CG2 4.18Å
364N87.6Confident90.4Very high9 Ų927.8 Ų27.85%0.04813%0.133CC..THydrogen-bonded Turntrans-137.97.6-173.869.5-16.8000114.3M357 S359 T361 C362 E398 G403 A404M357-N364 PolarHBondContact O-ND2 2.99Å; S359-N364 VanDerWaalsContact O-CG 3.31Å; S359-N364 PolarHBondContact O-ND2 3.42Å; S359-N364 PolarHBondContact O-OD1 2.93Å; T361-N364 WeakPolarHBondContact CA-OD1 3.46Å; T361-N364 PolarHBondContact N-OD1 3.46Å; T361-N364 PolarHBondContact O-N 3.22Å; T361-N364 PolarHBondContact O-OD1 3.45Å; T361-N364 VanDerWaalsContact O-OD1 3.08Å; T361-N364 PolarHBondContact OG1-N 3.28Å; T361-N364 PolarHBondContact OG1-OD1 3.25Å; C362-N364 VanDerWaalsContact C-N 3.35Å; N364-E398 HydrophobicContact CB-CB 4.01Å; N364-G403 CarbonylContact O-C 3.46Å; N364-G403 WeakPolarHBondContact O-CA 3.39Å; N364-A404 PolarHBondContact O-N 3.45Å
365S89.8Confident91.2Very high8 Ų819.3 Ų19.36%0.0569%0.093CC..SBendtrans-130.240179.9-59.40000112.1K360 T361 N466 K467 F545K360-S365 WeakPolarHBondContact CA-OG 3.48Å; T361-S365 WeakPolarHBondContact O-CB 3.11Å; T361-S365 PolarHBondContact O-N 2.89Å; S365-N466 VanDerWaalsContact C-CG 3.48Å; S365-N466 WeakPolarHBondContact CA-OD1 3.22Å; S365-N466 WeakPolarHBondContact O-CA 3.41Å; S365-K467 PolarHBondContact O-N 2.93Å; S365-F545 WeakPolarHBondContact O-CE2 3.38Å
366V94.3Very high91.7Very high0 Ų018.1 Ų18.10%010%0.095CC..EExtended strand (participates in β ladder)trans-133.6144.2-176.5-59.60000111.3C362 I368 F397 A404 K405 K467 F469 F545C362-V366 WeakPolarHBondContact O-CG1 3.32Å; C362-V366 WeakPolarHBondContact O-CG2 3.05Å; V366-I368 HydrophobicContact CB-CG1 4.38Å; V366-I368 HydrophobicContact CG2-CD1 3.81Å; V366-I368 HydrophobicContact CG2-CG1 3.93Å; V366-F397 HydrophobicContact CG2-CD1 3.59Å; V366-F397 HydrophobicContact CG2-CE1 3.77Å; V366-A404 HydrophobicContact CG2-CB 3.95Å; V366-A404 CarbonylContact O-C 3.51Å; V366-A404 WeakPolarHBondContact O-CA 2.85Å; V366-K405 PolarHBondContact O-N 3.42Å; V366-K467 CarbonylContact C-O 3.59Å; V366-K467 VanDerWaalsContact CA-O 3.3Å; V366-K467 WeakPolarHBondContact CA-O 3.42Å; V366-F469 HydrophobicContact CB-CD2 3.99Å; V366-F469 HydrophobicContact CB-CE2 4.05Å; V366-F469 HydrophobicContact CG1-CD2 4.08Å; V366-F469 HydrophobicContact CG1-CE2 3.61Å; V366-F545 HydrophobicContact CG1-CD2 3.76Å; V366-F545 HydrophobicContact CG1-CE2 4.32Å; V366-F545 HydrophobicContact CG1-CG 4.46Å
367N97.3Very high92.1Very high0 Ų021.1 Ų21.10%012%0.117CC..EExtended strand (participates in β ladder)trans-107.6119.1167.4-54.9-41.4000107.2K405 F421 I461 S464 N466 K467 N468 F469N367-K405 CarbonylContact C-O 3.58Å; N367-K405 WeakPolarHBondContact CA-O 3.22Å; N367-F421 HydrophobicContact CB-CD1 4.29Å; N367-F421 HydrophobicContact CB-CE1 3.8Å; N367-F421 HydrophobicContact CB-CE2 4.4Å; N367-F421 HydrophobicContact CB-CZ 3.86Å; N367-I461 HydrophobicContact CB-CD1 3.84Å; N367-I461 VanDerWaalsContact ND2-CD1 3.32Å; N367-I461 WeakPolarHBondContact ND2-CD1 3.39Å; N367-S464 WeakPolarHBondContact ND2-CB 3.45Å; N367-S464 PolarHBondContact ND2-OG 3.33Å; N367-N466 WeakPolarHBondContact ND2-CB 3.49Å; N367-N466 WeakPolarHBondContact OD1-CB 3.49Å; N367-N466 PolarHBondContact OD1-ND2 3Å; N367-N466 VanDerWaalsContact OD1-ND2 3.12Å; N367-K467 PolarHBondContact N-O 3.03Å; N367-N468 WeakPolarHBondContact CB-OD1 3.46Å; N367-N468 PolarHBondContact ND2-OD1 3.08Å; N367-F469 PolarHBondContact O-N 3.31Å
368I98.6Very high93Very high0 Ų019.9 Ų19.90%011%0.111CC..EExtended strand (participates in β ladder)trans-117112.6-177.5-54.5169.4000108.9V366 F370 F397 K405 I406 A407 F421 F469 V471 I541V366-I368 HydrophobicContact CB-CG1 4.38Å; V366-I368 HydrophobicContact CG2-CD1 3.81Å; V366-I368 HydrophobicContact CG2-CG1 3.93Å; I368-F370 HydrophobicContact CG2-CD2 4.45Å; I368-F370 HydrophobicContact CG2-CE1 4.28Å; I368-F370 HydrophobicContact CG2-CE2 3.96Å; I368-F370 HydrophobicContact CG2-CZ 3.87Å; I368-F397 HydrophobicContact CD1-CD1 3.89Å; I368-F397 HydrophobicContact CD1-CD2 3.67Å; I368-F397 HydrophobicContact CD1-CE1 3.72Å; I368-F397 HydrophobicContact CD1-CE2 3.47Å; I368-F397 VanDerWaalsContact CD1-CE2 3.47Å; I368-F397 HydrophobicContact CD1-CG 3.89Å; I368-F397 HydrophobicContact CD1-CZ 3.52Å; I368-K405 PolarHBondContact N-O 3.18Å; I368-I406 HydrophobicContact CB-CD1 3.84Å; I368-I406 HydrophobicContact CD1-CD1 4.17Å; I368-I406 HydrophobicContact CG1-CD1 4.37Å; I368-I406 WeakPolarHBondContact O-CA 3.48Å; I368-A407 PolarHBondContact O-N 3.46Å; I368-F421 WeakPolarHBondContact O-CE1 3.38Å; I368-F469 WeakPolarHBondContact CA-O 3.36Å; I368-F469 HydrophobicContact CG1-CB 4.28Å; I368-V471 HydrophobicContact CG2-CG2 4Å; I368-I541 HydrophobicContact CD1-CD1 4.14Å
369A98.8Very high93.5Very high0 Ų020.5 Ų20.50%012%0.119CC..EExtended strand (participates in β ladder)trans-95134.1168.100000109.6A407 F421 T453 V457 F458 F469 L470 V471A369-A407 CarbonylContact C-O 3.41Å; A369-A407 WeakPolarHBondContact CA-O 3.34Å; A369-A407 HydrophobicContact CB-CB 4.28Å; A369-F421 HydrophobicContact CB-CZ 3.89Å; A369-T453 HydrophobicContact CB-CG2 4.05Å; A369-V457 HydrophobicContact CB-CG1 4.27Å; A369-F458 HydrophobicContact CB-CE1 4.45Å; A369-F458 HydrophobicContact CB-CE2 3.61Å; A369-F458 HydrophobicContact CB-CZ 3.49Å; A369-F458 VanDerWaalsContact CB-CZ 3.49Å; A369-F469 PolarHBondContact N-O 3.45Å; A369-L470 HydrophobicContact CB-CD1 4Å; A369-L470 WeakPolarHBondContact O-CA 3.2Å; A369-L470 WeakPolarHBondContact O-CD1 3.44Å; A369-V471 PolarHBondContact O-N 3.17Å
370F98.9Very high94.1Very high0 Ų024.1 Ų24.10%014%0.137CC..EExtended strand (participates in β ladder)trans-98.2126.1169.7-64.9-81.4000109.5I368 I372 V390 I393 A394 I406 A407 A408 V409 V471I368-F370 HydrophobicContact CG2-CD2 4.45Å; I368-F370 HydrophobicContact CG2-CE1 4.28Å; I368-F370 HydrophobicContact CG2-CE2 3.96Å; I368-F370 HydrophobicContact CG2-CZ 3.87Å; F370-I372 HydrophobicContact CB-CD1 4.22Å; F370-I372 HydrophobicContact CB-CG1 4.01Å; F370-V390 HydrophobicContact CB-CG1 4.06Å; F370-V390 HydrophobicContact CB-CG2 4.26Å; F370-V390 HydrophobicContact CD1-CB 4.22Å; F370-V390 HydrophobicContact CD1-CG1 3.8Å; F370-V390 HydrophobicContact CD1-CG2 3.78Å; F370-V390 HydrophobicContact CD2-CG1 3.56Å; F370-V390 HydrophobicContact CE1-CB 4.44Å; F370-V390 HydrophobicContact CE1-CG1 4.08Å; F370-V390 HydrophobicContact CE1-CG2 4.34Å; F370-V390 HydrophobicContact CE2-CG1 3.85Å; F370-V390 HydrophobicContact CG-CB 4.38Å; F370-V390 HydrophobicContact CG-CG1 3.52Å; F370-V390 HydrophobicContact CG-CG2 4.09Å; F370-V390 HydrophobicContact CZ-CG1 4.1Å; F370-I393 HydrophobicContact CE1-CB 4.09Å; F370-I393 HydrophobicContact CE1-CD1 4.15Å; F370-I393 HydrophobicContact CE1-CG2 4.02Å; F370-I393 HydrophobicContact CZ-CB 3.91Å; F370-I393 HydrophobicContact CZ-CG2 3.71Å; F370-A394 HydrophobicContact CE2-CB 4.26Å; F370-I406 HydrophobicContact CD2-CG2 3.82Å; F370-I406 HydrophobicContact CE2-CD1 4.46Å; F370-I406 HydrophobicContact CE2-CG2 3.66Å; F370-A407 PolarHBondContact N-O 2.85Å; F370-A408 WeakPolarHBondContact O-CA 3.34Å; F370-V409 PolarHBondContact O-N 3.23Å; F370-V471 CarbonylContact C-O 3.19Å; F370-V471 WeakPolarHBondContact CA-O 3.32Å; F370-V471 HydrophobicContact CD1-CB 3.74Å; F370-V471 HydrophobicContact CD1-CG1 4.06Å; F370-V471 HydrophobicContact CD1-CG2 4.4Å; F370-V471 HydrophobicContact CE1-CB 3.94Å; F370-V471 HydrophobicContact CE1-CG1 4.15Å; F370-V471 HydrophobicContact CE1-CG2 4.15Å
371L98.7Very high94.8Very high0 Ų024.5 Ų24.50%015%0.15CC..EExtended strand (participates in β ladder)trans-107.1104.2173.4-169.459.3000108.2V409 F411 A449 I450 T453 L470 V471 I472 V473L371-V409 WeakPolarHBondContact CA-O 3.36Å; L371-V409 HydrophobicContact CD1-CB 3.77Å; L371-V409 HydrophobicContact CD1-CG1 3.72Å; L371-F411 HydrophobicContact CD1-CD1 3.78Å; L371-F411 HydrophobicContact CD1-CE1 4.43Å; L371-F411 HydrophobicContact CD1-CG 4.49Å; L371-F411 HydrophobicContact CG-CD1 3.68Å; L371-F411 HydrophobicContact CG-CE1 3.82Å; L371-A449 HydrophobicContact CD1-CB 3.92Å; L371-A449 HydrophobicContact CD2-CB 3.91Å; L371-A449 HydrophobicContact CG-CB 4.24Å; L371-I450 HydrophobicContact CD2-CG1 3.86Å; L371-T453 VanDerWaalsContact CD1-OG1 3.32Å; L371-T453 WeakPolarHBondContact CD1-OG1 3.32Å; L371-L470 HydrophobicContact CB-CD1 3.9Å; L371-V471 PolarHBondContact N-O 2.94Å; L371-I472 HydrophobicContact CB-CG1 4.21Å; L371-I472 HydrophobicContact CB-CG2 4.49Å; L371-I472 HydrophobicContact CD2-CD1 4.39Å; L371-I472 HydrophobicContact CD2-CG1 4.18Å; L371-I472 HydrophobicContact CD2-CG2 4.41Å; L371-I472 WeakPolarHBondContact O-CA 3.41Å; L371-V473 PolarHBondContact O-N 3.42Å
372I98.6Very high95.5Very high0 Ų024.6 Ų24.60%015%0.149CC..EExtended strand (participates in β ladder)trans-108.9120.9-164.2-49.1173.2000109F370 G374 F383 M386 L387 V390 A408 V409 Q410 F411 I437F370-I372 HydrophobicContact CB-CD1 4.22Å; F370-I372 HydrophobicContact CB-CG1 4.01Å; I372-G374 PolarHBondContact O-N 2.04Å; I372-F383 HydrophobicContact CG2-CD2 4.49Å; I372-F383 HydrophobicContact CG2-CE2 3.72Å; I372-F383 HydrophobicContact CG2-CZ 4.34Å; I372-M386 HydrophobicContact CG2-SD 4.49Å; I372-L387 HydrophobicContact CD1-CD2 4.09Å; I372-V390 HydrophobicContact CD1-CG1 4.42Å; I372-V390 HydrophobicContact CD1-CG2 4Å; I372-V390 HydrophobicContact CG1-CG2 4.18Å; I372-A408 HydrophobicContact CD1-CB 4.27Å; I372-V409 PolarHBondContact N-O 2.83Å; I372-Q410 CarbonylContact O-C 3.22Å; I372-Q410 VanDerWaalsContact O-CA 3.29Å; I372-Q410 WeakPolarHBondContact O-CA 3.22Å; I372-F411 VanDerWaalsContact O-CD1 3.27Å; I372-F411 WeakPolarHBondContact O-CD1 3.31Å; I372-F411 PolarHBondContact O-N 3.12Å; I372-I437 HydrophobicContact CD1-CD1 4.32Å
373D98Very high95.9Very high0 Ų024.1 Ų24.10%015%0.146CC..EExtended strand (participates in β ladder)trans-70.3118.3175.6-169.7-13.1000110.8S375 V378 M386 F411 T444 V473 T474 D475D373-S375 WeakPolarHBondContact OD1-CB 3.36Å; D373-S375 PolarHBondContact OD1-N 2.97Å; D373-S375 PolarHBondContact OD1-OG 3.49Å; D373-V378 HydrophobicContact CB-CG2 4.44Å; D373-M386 HydrophobicContact CB-CE 4.47Å; D373-F411 HydrophobicContact CB-CE1 3.92Å; D373-F411 HydrophobicContact CB-CE2 4.47Å; D373-F411 HydrophobicContact CB-CZ 3.75Å; D373-T444 WeakPolarHBondContact OD2-CG2 3.41Å; D373-V473 WeakPolarHBondContact CB-O 3.44Å; D373-V473 PolarHBondContact N-O 3.38Å; D373-T474 WeakPolarHBondContact OD2-CA 3.47Å; D373-T474 WeakPolarHBondContact OD2-CB 3.31Å; D373-T474 PolarHBondContact OD2-OG1 3.37Å; D373-D475 PolarHBondContact OD2-N 2.84Å
374G97.3Very high96.4Very high0 Ų024.8 Ų24.80%015%0.148CC..  trans-107.920.117600000112.7I372 F411 T412 Y439 M440 S441I372-G374 PolarHBondContact O-N 2.04Å; G374-F411 PolarHBondContact N-O 3.03Å; G374-T412 VanDerWaalsContact C-CG2 3.49Å; G374-T412 VanDerWaalsContact O-CG2 3.24Å; G374-T412 WeakPolarHBondContact O-CG2 3.4Å; G374-Y439 WeakPolarHBondContact O-CE2 3.48Å; G374-M440 CarbonylContact O-C 3.52Å; G374-S441 WeakPolarHBondContact O-CA 3.46Å; G374-S441 PolarHBondContact O-N 3.28Å
375S97Very high96.9Very high1 Ų127 Ų271%0.00716%0.159CC..  trans-68.3161.6-176.764.70000113D373 S377 V378 Y439 G442 G443 T444D373-S375 WeakPolarHBondContact OD1-CB 3.36Å; D373-S375 PolarHBondContact OD1-N 2.97Å; D373-S375 PolarHBondContact OD1-OG 3.49Å; S375-S377 PolarHBondContact O-N 3.18Å; S375-S377 PolarHBondContact OG-OG 2.72Å; S375-S377 VanDerWaalsContact OG-OG 3.06Å; S375-V378 WeakPolarHBondContact O-CB 3.45Å; S375-V378 PolarHBondContact O-N 2.8Å; S375-Y439 PolarHBondContact O-OH 3.03Å; S375-G442 WeakPolarHBondContact CA-O 3.08Å; S375-G442 WeakPolarHBondContact CB-O 3.12Å; S375-G443 WeakPolarHBondContact CB-O 3.48Å; S375-T444 WeakPolarHBondContact CB-OG1 3.42Å; S375-T444 PolarHBondContact OG-OG1 3.41Å
376S95.7Very high97.3Very high66 Ų6626.6 Ų26.646%0.46216%0.156SC..THydrogen-bonded Turntrans-63.7-23.8-176.2-57.80000114.1V378 Y439 S441 G442S376-V378 VanDerWaalsContact C-N 3.32Å; S376-Y439 WeakPolarHBondContact CA-OH 3.5Å; S376-S441 PolarHBondContact OG-OG 3.36Å; S376-G442 PolarHBondContact N-O 3.2Å; S376-G442 PolarHBondContact OG-N 3.16Å; S376-G442 PolarHBondContact OG-O 3.01Å
377S95.2Very high97.5Very high73 Ų7326.8 Ų26.851%0.5116%0.158SC..THydrogen-bonded Turntrans-68.1-32.2177.540.50000112.5S375 D475S375-S377 PolarHBondContact O-N 3.18Å; S375-S377 PolarHBondContact OG-OG 2.72Å; S375-S377 VanDerWaalsContact OG-OG 3.06Å; S377-D475 WeakPolarHBondContact CB-OD2 3.43Å; S377-D475 PolarHBondContact OG-OD1 3.26Å; S377-D475 PolarHBondContact OG-OD2 3.08Å
378V96.6Very high97.5Very high1 Ų131.8 Ų31.81%0.00618%0.181CC..THydrogen-bonded Turntrans-64-57.4179-178.20000109.6D373 S375 S376 N382 F383 M386 Y439 D475 F527D373-V378 HydrophobicContact CB-CG2 4.44Å; S375-V378 WeakPolarHBondContact O-CB 3.45Å; S375-V378 PolarHBondContact O-N 2.8Å; S376-V378 VanDerWaalsContact C-N 3.32Å; V378-N382 HydrophobicContact CG1-CB 3.98Å; V378-N382 VanDerWaalsContact O-CB 3.22Å; V378-N382 WeakPolarHBondContact O-CB 3.47Å; V378-N382 PolarHBondContact O-ND2 3.37Å; V378-F383 HydrophobicContact CG1-CB 3.99Å; V378-F383 HydrophobicContact CG1-CD2 4.48Å; V378-M386 HydrophobicContact CG1-CE 4.12Å; V378-M386 HydrophobicContact CG1-SD 4.01Å; V378-M386 HydrophobicContact CG2-CE 3.93Å; V378-M386 HydrophobicContact CG2-SD 4.43Å; V378-Y439 HydrophobicContact CB-CE2 4.5Å; V378-D475 WeakPolarHBondContact CA-OD2 3.29Å; V378-D475 HydrophobicContact CG2-CB 4.04Å; V378-D475 VanDerWaalsContact CG2-CG 3.48Å; V378-D475 WeakPolarHBondContact CG2-OD1 3.32Å; V378-D475 PolarHBondContact N-OD2 3.28Å; V378-D475 VanDerWaalsContact N-OD2 3.16Å; V378-F527 HydrophobicContact CG1-CE1 4Å; V378-F527 HydrophobicContact CG1-CZ 4.12Å
379G95.8Very high97.5Very high22 Ų2231.9 Ų31.923%0.22718%0.181CC..  trans76.3152.3-173.200000113.6S381 N382 F383 Y439G379-S381 PolarHBondContact O-N 3.36Å; G379-N382 PolarHBondContact O-N 3.16Å; G379-F383 WeakPolarHBondContact O-CB 3.39Å; G379-F383 PolarHBondContact O-N 2.91Å; G379-Y439 WeakPolarHBondContact CA-OH 3.43Å; G379-Y439 PolarHBondContact N-OH 3.44Å
380D95.6Very high97.5Very high87 Ų8731.9 Ų31.947%0.46518%0.181SC..Hα-helixtrans-57.6-43.3-170.1-173.215.6000113.2N382 F383 R384 Y439D380-N382 PolarHBondContact O-N 3.17Å; D380-F383 WeakPolarHBondContact O-CB 3.39Å; D380-F383 PolarHBondContact O-N 3.03Å; D380-R384 WeakPolarHBondContact O-CG 3.39Å; D380-R384 PolarHBondContact O-N 3.42Å; D380-R384 VanDerWaalsContact O-N 3.1Å; D380-R384 IonicContact OD1-NE 3.62Å; D380-Y439 HydrophobicContact CB-CD1 3.86Å; D380-Y439 HydrophobicContact CB-CE1 4.34Å; D380-Y439 HydrophobicContact CB-CG 4.46Å
381S96.5Very high97.5Very high90 Ų9032.2 Ų32.263%0.62918%0.183SC*.Hα-helixtrans-61.6-42.4-179.856.40000113G379 R384G379-S381 PolarHBondContact O-N 3.36Å; S381-R384 PolarHBondContact O-N 2.85Å
382N97.6Very high97.5Very high47 Ų4733.4 Ų33.425%0.25119%0.19SC..Hα-helixtrans-77.2-31.6179.6-66.1-31.7000111.5V378 G379 D380 R384 L385 M386 F527V378-N382 HydrophobicContact CG1-CB 3.98Å; V378-N382 VanDerWaalsContact O-CB 3.22Å; V378-N382 WeakPolarHBondContact O-CB 3.47Å; V378-N382 PolarHBondContact O-ND2 3.37Å; G379-N382 PolarHBondContact O-N 3.16Å; D380-N382 PolarHBondContact O-N 3.17Å; N382-R384 PolarHBondContact O-N 3.44Å; N382-L385 WeakPolarHBondContact O-CA 3.5Å; N382-L385 WeakPolarHBondContact O-CB 3.32Å; N382-L385 PolarHBondContact O-N 3.08Å; N382-M386 PolarHBondContact O-N 3.06Å; N382-F527 HydrophobicContact CB-CD1 3.65Å; N382-F527 HydrophobicContact CB-CD2 3.77Å; N382-F527 HydrophobicContact CB-CE1 3.6Å; N382-F527 HydrophobicContact CB-CE2 3.74Å; N382-F527 HydrophobicContact CB-CG 3.73Å; N382-F527 HydrophobicContact CB-CZ 3.65Å; N382-F527 VanDerWaalsContact CG-CD2 3.43Å; N382-F527 WeakPolarHBondContact ND2-CE2 3.48Å
383F98.2Very high97.5Very high0 Ų033.4 Ų33.40%019%0.19CC..Hα-helixtrans-59.2-37173-172.9-104.7000111.1I372 V378 G379 D380 L385 M386 L387 Q410 I437 Y439I372-F383 HydrophobicContact CG2-CD2 4.49Å; I372-F383 HydrophobicContact CG2-CE2 3.72Å; I372-F383 HydrophobicContact CG2-CZ 4.34Å; V378-F383 HydrophobicContact CG1-CB 3.99Å; V378-F383 HydrophobicContact CG1-CD2 4.48Å; G379-F383 WeakPolarHBondContact O-CB 3.39Å; G379-F383 PolarHBondContact O-N 2.91Å; D380-F383 WeakPolarHBondContact O-CB 3.39Å; D380-F383 PolarHBondContact O-N 3.03Å; F383-L385 VanDerWaalsContact C-N 3.32Å; F383-L385 PolarHBondContact O-N 3.37Å; F383-M386 WeakPolarHBondContact O-CB 3.36Å; F383-M386 PolarHBondContact O-N 3.37Å; F383-L387 HydrophobicContact CD1-CD1 3.95Å; F383-L387 HydrophobicContact CD1-CG 4.17Å; F383-L387 HydrophobicContact CE1-CD1 3.63Å; F383-L387 HydrophobicContact CE1-CD2 4.12Å; F383-L387 HydrophobicContact CE1-CG 3.89Å; F383-L387 HydrophobicContact CZ-CD1 4.43Å; F383-L387 HydrophobicContact CZ-CD2 4.09Å; F383-L387 HydrophobicContact CZ-CG 4.3Å; F383-L387 WeakPolarHBondContact O-CG 3.36Å; F383-L387 PolarHBondContact O-N 3.07Å; F383-Q410 HydrophobicContact CE2-CG 4.34Å; F383-Q410 HydrophobicContact CZ-CG 4.3Å; F383-I437 HydrophobicContact CE1-CG2 4.03Å; F383-I437 HydrophobicContact CZ-CG2 3.83Å; F383-Y439 HydrophobicContact CB-CD2 3.74Å; F383-Y439 HydrophobicContact CB-CE2 4.33Å; F383-Y439 HydrophobicContact CB-CG 4.25Å; F383-Y439 HydrophobicContact CD1-CD2 4.01Å; F383-Y439 HydrophobicContact CD1-CG 4.21Å; F383-Y439 AromaticContact CD2-CD2 3.77Å; F383-Y439 HydrophobicContact CD2-CD2 3.77Å; F383-Y439 HydrophobicContact CD2-CE2 4.44Å; F383-Y439 HydrophobicContact CE2-CD2 4.36Å; F383-Y439 AromaticContact CG-CD2 3.56Å; F383-Y439 HydrophobicContact CG-CD2 3.56Å; F383-Y439 HydrophobicContact CG-CE2 4.44Å; F383-Y439 HydrophobicContact CG-CG 4.16Å
384R98.1Very high97.5Very high116 Ų11633.4 Ų33.444%0.43819%0.19SC..Hα-helixtrans-60.9-37.6171.9-62.5-57.4176.8160.2-1.4113.3D380 S381 N382 L387 E388 R435D380-R384 WeakPolarHBondContact O-CG 3.39Å; D380-R384 PolarHBondContact O-N 3.42Å; D380-R384 VanDerWaalsContact O-N 3.1Å; D380-R384 IonicContact OD1-NE 3.62Å; S381-R384 PolarHBondContact O-N 2.85Å; N382-R384 PolarHBondContact O-N 3.44Å; R384-L387 PolarHBondContact O-N 3.06Å; R384-E388 PolarHBondContact O-N 3.3Å; R384-R435 PolarHBondContact NH1-O 2.76Å
385L98.2Very high97.5Very high55 Ų5538.4 Ų38.429%0.28821%0.212SC..Hα-helixtrans-68.4-37.2174.9-61.5173.6000111.7N382 F383 E388 F389 F527N382-L385 WeakPolarHBondContact O-CA 3.5Å; N382-L385 WeakPolarHBondContact O-CB 3.32Å; N382-L385 PolarHBondContact O-N 3.08Å; F383-L385 VanDerWaalsContact C-N 3.32Å; F383-L385 PolarHBondContact O-N 3.37Å; L385-E388 PolarHBondContact O-N 3.05Å; L385-F389 PolarHBondContact O-N 3.45Å; L385-F527 HydrophobicContact CB-CB 4.21Å; L385-F527 HydrophobicContact CD1-CB 3.54Å
386M98.3Very high97.4Very high0 Ų040.8 Ų40.80%023%0.226CC..Hα-helixtrans-62.5-43.1171.8-69.3-170.1167.400111.9I372 D373 V378 N382 F383 E388 F389 V390 V473 D475 F527 L530I372-M386 HydrophobicContact CG2-SD 4.49Å; D373-M386 HydrophobicContact CB-CE 4.47Å; V378-M386 HydrophobicContact CG1-CE 4.12Å; V378-M386 HydrophobicContact CG1-SD 4.01Å; V378-M386 HydrophobicContact CG2-CE 3.93Å; V378-M386 HydrophobicContact CG2-SD 4.43Å; N382-M386 PolarHBondContact O-N 3.06Å; F383-M386 WeakPolarHBondContact O-CB 3.36Å; F383-M386 PolarHBondContact O-N 3.37Å; M386-E388 VanDerWaalsContact C-N 3.32Å; M386-E388 PolarHBondContact O-N 2.99Å; M386-F389 WeakPolarHBondContact O-CB 3.33Å; M386-F389 PolarHBondContact O-N 2.95Å; M386-V390 WeakPolarHBondContact O-CG2 3.33Å; M386-V390 PolarHBondContact O-N 3.15Å; M386-V473 HydrophobicContact CE-CG1 4.01Å; M386-V473 HydrophobicContact CG-CG1 4.04Å; M386-V473 HydrophobicContact SD-CG1 4.02Å; M386-D475 HydrophobicContact CE-CB 4.11Å; M386-F527 HydrophobicContact CE-CD1 4.44Å; M386-F527 HydrophobicContact CE-CE1 3.48Å; M386-F527 VanDerWaalsContact CE-CE1 3.48Å; M386-F527 HydrophobicContact CE-CZ 4.19Å; M386-F527 HydrophobicContact CG-CD1 4.12Å; M386-F527 HydrophobicContact CG-CE1 3.93Å; M386-F527 HydrophobicContact SD-CE1 4.29Å; M386-L530 HydrophobicContact CG-CD1 4.22Å
387L98.6Very high97.3Very high5 Ų537.6 Ų37.63%0.02620%0.204CC..Hα-helixtrans-65.7-34.4176-66.5-178.6000112.6I372 F383 R384 S391 I434 I437I372-L387 HydrophobicContact CD1-CD2 4.09Å; F383-L387 HydrophobicContact CD1-CD1 3.95Å; F383-L387 HydrophobicContact CD1-CG 4.17Å; F383-L387 HydrophobicContact CE1-CD1 3.63Å; F383-L387 HydrophobicContact CE1-CD2 4.12Å; F383-L387 HydrophobicContact CE1-CG 3.89Å; F383-L387 HydrophobicContact CZ-CD1 4.43Å; F383-L387 HydrophobicContact CZ-CD2 4.09Å; F383-L387 HydrophobicContact CZ-CG 4.3Å; F383-L387 WeakPolarHBondContact O-CG 3.36Å; F383-L387 PolarHBondContact O-N 3.07Å; R384-L387 PolarHBondContact O-N 3.06Å; L387-S391 VanDerWaalsContact O-CB 3.3Å; L387-S391 WeakPolarHBondContact O-CB 3.36Å; L387-S391 PolarHBondContact O-N 3.49Å; L387-S391 PolarHBondContact O-OG 3.21Å; L387-I434 HydrophobicContact CB-CG2 4.48Å; L387-I434 WeakPolarHBondContact CD1-O 3.47Å; L387-I434 HydrophobicContact CD2-CG2 4.37Å; L387-I437 HydrophobicContact CD1-CB 4.11Å; L387-I437 HydrophobicContact CD2-CB 3.97Å; L387-I437 HydrophobicContact CD2-CD1 3.98Å; L387-I437 HydrophobicContact CD2-CG2 4.26Å
388E98.4Very high97Very high104 Ų10437.5 Ų37.549%0.48620%0.195SC..Hα-helixtrans-65.7-44.1172.9-179.5169.5-166.800111.4R384 L385 M386 V390 S391 N392R384-E388 PolarHBondContact O-N 3.3Å; L385-E388 PolarHBondContact O-N 3.05Å; M386-E388 VanDerWaalsContact C-N 3.32Å; M386-E388 PolarHBondContact O-N 2.99Å; E388-V390 PolarHBondContact O-N 2.93Å; E388-S391 WeakPolarHBondContact O-CB 3.47Å; E388-S391 PolarHBondContact O-N 3.32Å; E388-N392 VanDerWaalsContact O-CB 3.3Å; E388-N392 WeakPolarHBondContact O-CB 3.34Å; E388-N392 PolarHBondContact O-N 3.18Å; E388-N392 PolarHBondContact O-ND2 3.12Å
389F98.6Very high96.8Very high3 Ų338 Ų381%0.01320%0.198CC..Hα-helixtrans-55.9-50.6172.8170.4-99.3000112L385 M386 S391 N392 I393 V471 V473 V499 L530 I533 V534 V537L385-F389 PolarHBondContact O-N 3.45Å; M386-F389 WeakPolarHBondContact O-CB 3.33Å; M386-F389 PolarHBondContact O-N 2.95Å; F389-S391 PolarHBondContact O-N 2.92Å; F389-N392 PolarHBondContact O-N 3.33Å; F389-I393 HydrophobicContact CD1-CD1 4.24Å; F389-I393 HydrophobicContact CD2-CD1 4.49Å; F389-I393 HydrophobicContact CE1-CD1 3.56Å; F389-I393 HydrophobicContact CE2-CD1 3.86Å; F389-I393 HydrophobicContact CZ-CD1 3.35Å; F389-I393 HydrophobicContact CZ-CG1 4.44Å; F389-I393 PolarHBondContact O-N 3.45Å; F389-I393 VanDerWaalsContact O-N 3.08Å; F389-V471 HydrophobicContact CE1-CG1 4.37Å; F389-V473 HydrophobicContact CD1-CG2 3.88Å; F389-V473 HydrophobicContact CE1-CG2 3.62Å; F389-V499 HydrophobicContact CE1-CG2 4.26Å; F389-V499 HydrophobicContact CZ-CB 4.47Å; F389-V499 HydrophobicContact CZ-CG1 4.19Å; F389-V499 HydrophobicContact CZ-CG2 3.91Å; F389-L530 HydrophobicContact CB-CB 4.04Å; F389-L530 HydrophobicContact CB-CD1 4.09Å; F389-L530 HydrophobicContact CD2-CB 3.79Å; F389-L530 HydrophobicContact CD2-CD2 4.12Å; F389-L530 HydrophobicContact CD2-CG 4.48Å; F389-L530 VanDerWaalsContact CD2-O 3.29Å; F389-L530 WeakPolarHBondContact CD2-O 3.42Å; F389-L530 HydrophobicContact CE2-CD2 4.36Å; F389-L530 HydrophobicContact CG-CB 4.11Å; F389-L530 HydrophobicContact CG-CD1 4.43Å; F389-L530 HydrophobicContact CG-CD2 4.2Å; F389-I533 HydrophobicContact CE2-CB 4.15Å; F389-I533 HydrophobicContact CE2-CG2 4Å; F389-I533 HydrophobicContact CZ-CG2 4.25Å; F389-V534 HydrophobicContact CD2-CG2 3.48Å; F389-V534 VanDerWaalsContact CD2-CG2 3.48Å; F389-V534 HydrophobicContact CE2-CG2 3.78Å; F389-V534 HydrophobicContact CG-CG2 4.48Å; F389-V537 HydrophobicContact CZ-CG2 4.27Å
390V98.7Very high96.4Very high0 Ų037.8 Ų37.80%019%0.193CC..Hα-helixtrans-58.8-46176.3169.80000111.2F370 I372 M386 E388 N392 I393 A394 I434F370-V390 HydrophobicContact CB-CG1 4.06Å; F370-V390 HydrophobicContact CB-CG2 4.26Å; F370-V390 HydrophobicContact CD1-CB 4.22Å; F370-V390 HydrophobicContact CD1-CG1 3.8Å; F370-V390 HydrophobicContact CD1-CG2 3.78Å; F370-V390 HydrophobicContact CD2-CG1 3.56Å; F370-V390 HydrophobicContact CE1-CB 4.44Å; F370-V390 HydrophobicContact CE1-CG1 4.08Å; F370-V390 HydrophobicContact CE1-CG2 4.34Å; F370-V390 HydrophobicContact CE2-CG1 3.85Å; F370-V390 HydrophobicContact CG-CB 4.38Å; F370-V390 HydrophobicContact CG-CG1 3.52Å; F370-V390 HydrophobicContact CG-CG2 4.09Å; F370-V390 HydrophobicContact CZ-CG1 4.1Å; I372-V390 HydrophobicContact CD1-CG1 4.42Å; I372-V390 HydrophobicContact CD1-CG2 4Å; I372-V390 HydrophobicContact CG1-CG2 4.18Å; M386-V390 WeakPolarHBondContact O-CG2 3.33Å; M386-V390 PolarHBondContact O-N 3.15Å; E388-V390 PolarHBondContact O-N 2.93Å; V390-N392 VanDerWaalsContact C-N 3.3Å; V390-N392 PolarHBondContact O-N 2.9Å; V390-I393 PolarHBondContact O-N 3.47Å; V390-A394 WeakPolarHBondContact O-CB 3.3Å; V390-A394 PolarHBondContact O-N 3.23Å; V390-I434 HydrophobicContact CB-CG2 4.37Å; V390-I434 HydrophobicContact CG1-CD1 4.12Å; V390-I434 HydrophobicContact CG1-CG1 4.42Å; V390-I434 HydrophobicContact CG1-CG2 3.96Å
391S98.6Very high95.7Very high6 Ų639.2 Ų39.24%0.04220%0.201CC..Hα-helixtrans-60.3-39.6176.7-63.40000112.3L387 E388 F389 A394 K395 L431 I434L387-S391 VanDerWaalsContact O-CB 3.3Å; L387-S391 WeakPolarHBondContact O-CB 3.36Å; L387-S391 PolarHBondContact O-N 3.49Å; L387-S391 PolarHBondContact O-OG 3.21Å; E388-S391 WeakPolarHBondContact O-CB 3.47Å; E388-S391 PolarHBondContact O-N 3.32Å; F389-S391 PolarHBondContact O-N 2.92Å; S391-A394 PolarHBondContact O-N 3.39Å; S391-K395 WeakPolarHBondContact O-CB 3.43Å; S391-K395 WeakPolarHBondContact O-CG 3.36Å; S391-K395 PolarHBondContact O-N 2.86Å; S391-L431 WeakPolarHBondContact O-CD2 3.32Å; S391-I434 WeakPolarHBondContact OG-CG2 3.28Å
392N98.3Very high94.7Very high26 Ų2638.3 Ų38.314%0.13919%0.188CC..Hα-helixtrans-71.5-29-178.2-75.8-24.2000113E388 F389 V390 K395 T396 V534E388-N392 VanDerWaalsContact O-CB 3.3Å; E388-N392 WeakPolarHBondContact O-CB 3.34Å; E388-N392 PolarHBondContact O-N 3.18Å; E388-N392 PolarHBondContact O-ND2 3.12Å; F389-N392 PolarHBondContact O-N 3.33Å; V390-N392 VanDerWaalsContact C-N 3.3Å; V390-N392 PolarHBondContact O-N 2.9Å; N392-K395 WeakPolarHBondContact O-CG 3.2Å; N392-K395 WeakPolarHBondContact OD1-CE 3.29Å; N392-K395 PolarHBondContact OD1-NZ 2.91Å; N392-T396 PolarHBondContact O-OG1 2.88Å; N392-V534 HydrophobicContact CB-CG1 4.06Å; N392-V534 HydrophobicContact CB-CG2 3.92Å
393I98.4Very high94.1Very high0 Ų036.1 Ų36.10%018%0.176CC..Hα-helixtrans-73-54.3168.2-65.3173.4000109.6F370 F389 V390 K395 T396 F397 V534 V537 I538F370-I393 HydrophobicContact CE1-CB 4.09Å; F370-I393 HydrophobicContact CE1-CD1 4.15Å; F370-I393 HydrophobicContact CE1-CG2 4.02Å; F370-I393 HydrophobicContact CZ-CB 3.91Å; F370-I393 HydrophobicContact CZ-CG2 3.71Å; F389-I393 HydrophobicContact CD1-CD1 4.24Å; F389-I393 HydrophobicContact CD2-CD1 4.49Å; F389-I393 HydrophobicContact CE1-CD1 3.56Å; F389-I393 HydrophobicContact CE2-CD1 3.86Å; F389-I393 HydrophobicContact CZ-CD1 3.35Å; F389-I393 HydrophobicContact CZ-CG1 4.44Å; F389-I393 PolarHBondContact O-N 3.45Å; F389-I393 VanDerWaalsContact O-N 3.08Å; V390-I393 PolarHBondContact O-N 3.47Å; I393-K395 VanDerWaalsContact C-N 3.31Å; I393-K395 PolarHBondContact O-N 2.68Å; I393-T396 WeakPolarHBondContact O-CB 3.5Å; I393-T396 PolarHBondContact O-N 2.62Å; I393-T396 VanDerWaalsContact O-N 3.12Å; I393-F397 HydrophobicContact CG2-CD2 4.44Å; I393-F397 HydrophobicContact CG2-CE2 3.82Å; I393-F397 VanDerWaalsContact O-CD2 3.3Å; I393-F397 WeakPolarHBondContact O-CD2 3.26Å; I393-V534 HydrophobicContact CG1-CB 4.41Å; I393-V534 HydrophobicContact CG1-CG1 3.93Å; I393-V534 HydrophobicContact CG1-CG2 4.39Å; I393-V537 HydrophobicContact CD1-CB 4.09Å; I393-V537 HydrophobicContact CD1-CG1 3.83Å; I393-I538 HydrophobicContact CG2-CG1 4.27Å
394A98.1Very high93.9Very high0 Ų036.1 Ų36.10%018%0.176CC..Hα-helixtrans-56.2-41.4-174.600000113F370 V390 S391 T396 F397 I406 L431 I434F370-A394 HydrophobicContact CE2-CB 4.26Å; V390-A394 WeakPolarHBondContact O-CB 3.3Å; V390-A394 PolarHBondContact O-N 3.23Å; S391-A394 PolarHBondContact O-N 3.39Å; A394-T396 PolarHBondContact O-N 3.21Å; A394-T396 VanDerWaalsContact O-N 3.16Å; A394-F397 PolarHBondContact O-N 3.05Å; A394-F397 VanDerWaalsContact O-N 3.16Å; A394-I406 HydrophobicContact CB-CG1 4.5Å; A394-L431 HydrophobicContact CB-CD2 4.25Å; A394-I434 HydrophobicContact CB-CD1 4.01Å
395K96.6Very high93.8Very high105 Ų10533.2 Ų33.246%0.45717%0.167SC..THydrogen-bonded Turntrans-61.8-24.6-178.373.1-174-174.9-172.40114.1S391 N392 I393 F397 K427 L431S391-K395 WeakPolarHBondContact O-CB 3.43Å; S391-K395 WeakPolarHBondContact O-CG 3.36Å; S391-K395 PolarHBondContact O-N 2.86Å; N392-K395 WeakPolarHBondContact O-CG 3.2Å; N392-K395 WeakPolarHBondContact OD1-CE 3.29Å; N392-K395 PolarHBondContact OD1-NZ 2.91Å; I393-K395 VanDerWaalsContact C-N 3.31Å; I393-K395 PolarHBondContact O-N 2.68Å; K395-F397 VanDerWaalsContact C-N 3.34Å; K395-K427 PolarHBondContact O-NZ 3.11Å; K395-K427 VanDerWaalsContact O-NZ 3.1Å; K395-L431 HydrophobicContact CB-CD1 3.94Å; K395-L431 HydrophobicContact CB-CD2 4Å
396T95.3Very high93.8Very high50 Ų5030.7 Ų30.731%0.30715%0.154SC..THydrogen-bonded Turntrans-74.4-25.3-179.5-55.80000112.6Y363 N392 I393 A394 I538Y363-T396 HydrophobicContact CD1-CG2 4.21Å; Y363-T396 HydrophobicContact CE1-CG2 3.93Å; N392-T396 PolarHBondContact O-OG1 2.88Å; I393-T396 WeakPolarHBondContact O-CB 3.5Å; I393-T396 PolarHBondContact O-N 2.62Å; I393-T396 VanDerWaalsContact O-N 3.12Å; A394-T396 PolarHBondContact O-N 3.21Å; A394-T396 VanDerWaalsContact O-N 3.16Å; T396-I538 HydrophobicContact CG2-CD1 3.96Å; T396-I538 HydrophobicContact CG2-CG2 4.07Å; T396-I538 WeakPolarHBondContact OG1-CD1 3.37Å
397F93.8Very high93.8Very high0 Ų030.7 Ų30.70%015%0.154CC..SBendtrans-87.8150180-65.6-90.9000111.2C362 Y363 V366 I368 I393 A394 K395 I399 A404 K427 I538 I541C362-F397 WeakPolarHBondContact O-CD1 3.02Å; C362-F397 VanDerWaalsContact O-CE1 3.29Å; C362-F397 WeakPolarHBondContact O-CE1 3.45Å; Y363-F397 HydrophobicContact CD1-CD1 4.49Å; Y363-F397 CarbonylContact O-C 3.59Å; Y363-F397 WeakPolarHBondContact O-CA 3.29Å; V366-F397 HydrophobicContact CG2-CD1 3.59Å; V366-F397 HydrophobicContact CG2-CE1 3.77Å; I368-F397 HydrophobicContact CD1-CD1 3.89Å; I368-F397 HydrophobicContact CD1-CD2 3.67Å; I368-F397 HydrophobicContact CD1-CE1 3.72Å; I368-F397 HydrophobicContact CD1-CE2 3.47Å; I368-F397 VanDerWaalsContact CD1-CE2 3.47Å; I368-F397 HydrophobicContact CD1-CG 3.89Å; I368-F397 HydrophobicContact CD1-CZ 3.52Å; I393-F397 HydrophobicContact CG2-CD2 4.44Å; I393-F397 HydrophobicContact CG2-CE2 3.82Å; I393-F397 VanDerWaalsContact O-CD2 3.3Å; I393-F397 WeakPolarHBondContact O-CD2 3.26Å; A394-F397 PolarHBondContact O-N 3.05Å; A394-F397 VanDerWaalsContact O-N 3.16Å; K395-F397 VanDerWaalsContact C-N 3.34Å; F397-I399 PolarHBondContact O-N 3.43Å; F397-I399 VanDerWaalsContact O-N 3.12Å; F397-A404 HydrophobicContact CB-CB 3.77Å; F397-A404 HydrophobicContact CD1-CB 4.48Å; F397-A404 HydrophobicContact CG-CB 4.49Å; F397-K427 WeakPolarHBondContact O-CE 3.5Å; F397-K427 PolarHBondContact O-NZ 3.02Å; F397-I538 HydrophobicContact CE2-CG1 4.25Å; F397-I541 HydrophobicContact CE1-CG2 3.96Å; F397-I541 HydrophobicContact CE2-CD1 4.48Å; F397-I541 HydrophobicContact CZ-CB 4.32Å; F397-I541 HydrophobicContact CZ-CD1 4.03Å; F397-I541 HydrophobicContact CZ-CG2 3.86Å
398E90.1Very high93.8Very high70 Ų7030.5 Ų30.533%0.32715%0.152SC..  trans-84.882.3177.8-68.3-53.7117.100110.4M357 Y363 N364 S400 A404 K427M357-E398 HydrophobicContact CE-CB 4.13Å; M357-E398 HydrophobicContact CE-CG 4.25Å; Y363-E398 PolarHBondContact O-N 3.26Å; N364-E398 HydrophobicContact CB-CB 4.01Å; E398-S400 PolarHBondContact O-N 2.87Å; E398-A404 PolarHBondContact O-N 2.77Å; E398-K427 IonicContact OE1-NZ 2.64Å; E398-K427 PolarHBondContact OE1-NZ 3.23Å; E398-K427 IonicContact OE2-NZ 2.83Å
399I91.6Very high93.8Very high12 Ų1225.5 Ų25.56%0.06213%0.129CC..BIsolated β-bridgetrans-70.3119.1-179.5-57173000109.9F397 A404 I406 K427 V430F397-I399 PolarHBondContact O-N 3.43Å; F397-I399 VanDerWaalsContact O-N 3.12Å; I399-A404 WeakPolarHBondContact CA-O 3.36Å; I399-I406 HydrophobicContact CD1-CG1 3.56Å; I399-I406 HydrophobicContact CG1-CG1 3.9Å; I399-K427 HydrophobicContact CB-CB 4.16Å; I399-K427 HydrophobicContact CD1-CB 4.48Å; I399-K427 HydrophobicContact CD1-CG 4.28Å; I399-V430 HydrophobicContact CD1-CB 4Å; I399-V430 HydrophobicContact CD1-CG1 3.85Å; I399-V430 HydrophobicContact CD1-CG2 4.29Å; I399-V430 HydrophobicContact CG2-CG2 4.03Å
400S86.8Confident93.8Very high17 Ų1725.4 Ų25.412%0.11913%0.129CC..SBendtrans-163.5169.7172.961.60000110.8E398 I402 G403 A404 S425E398-S400 PolarHBondContact O-N 2.87Å; S400-I402 PolarHBondContact O-N 3.37Å; S400-I402 VanDerWaalsContact O-N 3.11Å; S400-G403 PolarHBondContact O-N 3.24Å; S400-G403 VanDerWaalsContact OG-CA 3.31Å; S400-G403 WeakPolarHBondContact OG-CA 3.48Å; S400-G403 PolarHBondContact OG-N 3.06Å; S400-A404 PolarHBondContact N-O 2.86Å; S400-S425 VanDerWaalsContact CA-O 3.26Å; S400-S425 WeakPolarHBondContact CA-O 3.43Å
401D81Confident93.8Very high118 Ų11825.4 Ų25.463%0.63113%0.129SC*.THydrogen-bonded Turntrans-54.2-32.1175.5-66.3-50.7000113.7K405 S425D401-K405 WeakPolarHBondContact O-CE 3.44Å; D401-S425 WeakPolarHBondContact OD1-CB 3.16Å
402I75.4Confident93.7Very high71 Ų7125.3 Ų25.336%0.36413%0.128SC..THydrogen-bonded Turntrans-104.50.1-179.362.1160.9000113C323 S400C323-I402 WeakPolarHBondContact O-CD1 3.24Å; S400-I402 PolarHBondContact O-N 3.37Å; S400-I402 VanDerWaalsContact O-N 3.11Å
403G86.1Confident93.5Very high0 Ų030.3 Ų30.30%015%0.146CC..SBendtrans-109.9-146.4-17000000112.5N364 S400 N466N364-G403 CarbonylContact O-C 3.46Å; N364-G403 WeakPolarHBondContact O-CA 3.39Å; S400-G403 PolarHBondContact O-N 3.24Å; S400-G403 VanDerWaalsContact OG-CA 3.31Å; S400-G403 WeakPolarHBondContact OG-CA 3.48Å; S400-G403 PolarHBondContact OG-N 3.06Å; G403-N466 PolarHBondContact O-ND2 3.46Å
404A92.8Very high93.3Very high0 Ų035.8 Ų35.80%018%0.175CC..BIsolated β-bridgetrans-69.4143.8171.600000110.4N364 V366 F397 E398 I399 S400N364-A404 PolarHBondContact O-N 3.45Å; V366-A404 HydrophobicContact CG2-CB 3.95Å; V366-A404 CarbonylContact O-C 3.51Å; V366-A404 WeakPolarHBondContact O-CA 2.85Å; F397-A404 HydrophobicContact CB-CB 3.77Å; F397-A404 HydrophobicContact CD1-CB 4.48Å; F397-A404 HydrophobicContact CG-CB 4.49Å; E398-A404 PolarHBondContact O-N 2.77Å; I399-A404 WeakPolarHBondContact CA-O 3.36Å; S400-A404 PolarHBondContact N-O 2.86Å
405K95.9Very high93.3Very high55 Ų5538.1 Ų38.124%0.23919%0.186CC..EExtended strand (participates in β ladder)trans-117.9137.6175.5-56.4-170.5177.3-165.60109.6V366 N367 I368 D401 F421V366-K405 PolarHBondContact O-N 3.42Å; N367-K405 CarbonylContact C-O 3.58Å; N367-K405 WeakPolarHBondContact CA-O 3.22Å; I368-K405 PolarHBondContact N-O 3.18Å; D401-K405 WeakPolarHBondContact O-CE 3.44Å; K405-F421 HydrophobicContact CB-CB 4.12Å; K405-F421 HydrophobicContact CB-CD1 3.7Å; K405-F421 HydrophobicContact CB-CG 4.28Å; K405-F421 HydrophobicContact CD-CB 4.41Å; K405-F421 WeakPolarHBondContact O-CE1 3.26Å
406I98.3Very high93.4Very high3 Ų339 Ų392%0.01519%0.187CC..EExtended strand (participates in β ladder)trans-118141.1-178.2-53.1-60000109.4I368 F370 A394 I399 F419 V430I368-I406 HydrophobicContact CB-CD1 3.84Å; I368-I406 HydrophobicContact CD1-CD1 4.17Å; I368-I406 HydrophobicContact CG1-CD1 4.37Å; I368-I406 WeakPolarHBondContact O-CA 3.48Å; F370-I406 HydrophobicContact CD2-CG2 3.82Å; F370-I406 HydrophobicContact CE2-CD1 4.46Å; F370-I406 HydrophobicContact CE2-CG2 3.66Å; A394-I406 HydrophobicContact CB-CG1 4.5Å; I399-I406 HydrophobicContact CD1-CG1 3.56Å; I399-I406 HydrophobicContact CG1-CG1 3.9Å; I406-F419 HydrophobicContact CB-CE2 4.36Å; I406-F419 HydrophobicContact CG2-CE2 4.03Å; I406-F419 HydrophobicContact CG2-CZ 4.13Å; I406-F419 WeakPolarHBondContact O-CE2 3.37Å; I406-V430 HydrophobicContact CB-CG1 3.95Å; I406-V430 HydrophobicContact CG1-CG1 4.24Å; I406-V430 HydrophobicContact CG2-CG1 4.02Å
407A98.6Very high93.5Very high0 Ų039 Ų390%019%0.186CC..EExtended strand (participates in β ladder)trans-133.3156.416900000109.4I368 A369 F370 F419 F421 V457I368-A407 PolarHBondContact O-N 3.46Å; A369-A407 CarbonylContact C-O 3.41Å; A369-A407 WeakPolarHBondContact CA-O 3.34Å; A369-A407 HydrophobicContact CB-CB 4.28Å; F370-A407 PolarHBondContact N-O 2.85Å; A407-F419 WeakPolarHBondContact CA-O 3.4Å; A407-F421 HydrophobicContact CB-CD1 3.7Å; A407-F421 HydrophobicContact CB-CD2 4.24Å; A407-F421 HydrophobicContact CB-CE1 3.64Å; A407-F421 HydrophobicContact CB-CE2 4.22Å; A407-F421 HydrophobicContact CB-CG 4.01Å; A407-F421 HydrophobicContact CB-CZ 3.92Å; A407-V457 HydrophobicContact CB-CG1 3.49Å; A407-V457 VanDerWaalsContact CB-CG1 3.49Å
408A98.8Very high93.7Very high0 Ų041.2 Ų41.20%020%0.197CC..EExtended strand (participates in β ladder)trans-136.6133.7173.200000110.9F370 I372 E418 F419 I437F370-A408 WeakPolarHBondContact O-CA 3.34Å; I372-A408 HydrophobicContact CD1-CB 4.27Å; A408-E418 HydrophobicContact CB-CB 4.34Å; A408-E418 PolarHBondContact O-N 3.48Å; A408-F419 HydrophobicContact CB-CD1 3.95Å; A408-F419 HydrophobicContact CB-CE1 3.37Å; A408-F419 HydrophobicContact CB-CZ 3.7Å; A408-F419 PolarHBondContact N-O 3.4Å; A408-F419 PolarHBondContact O-N 3.16Å; A408-I437 HydrophobicContact CB-CD1 4.12Å
409V98.8Very high94.1Very high0 Ų038 Ų380%018%0.182CC..EExtended strand (participates in β ladder)trans-122.5127.4171.91780000107.1F370 L371 I372 Q415 R416 F452 T453 V457F370-V409 PolarHBondContact O-N 3.23Å; L371-V409 WeakPolarHBondContact CA-O 3.36Å; L371-V409 HydrophobicContact CD1-CB 3.77Å; L371-V409 HydrophobicContact CD1-CG1 3.72Å; I372-V409 PolarHBondContact N-O 2.83Å; V409-Q415 HydrophobicContact CG1-CB 4.39Å; V409-R416 CarbonylContact C-O 3.57Å; V409-R416 WeakPolarHBondContact CA-O 3.39Å; V409-F452 HydrophobicContact CG1-CD1 4.09Å; V409-F452 HydrophobicContact CG1-CE1 4.22Å; V409-T453 HydrophobicContact CG2-CG2 4.4Å; V409-V457 HydrophobicContact CG2-CG2 3.59Å
410Q98.4Very high94.4Very high0 Ų039.1 Ų39.10%019%0.19CC..EExtended strand (participates in β ladder)trans-95.8142.5168-170.2177.6-175.600109.1I372 F383 R416 E418 R438 M440I372-Q410 CarbonylContact O-C 3.22Å; I372-Q410 VanDerWaalsContact O-CA 3.29Å; I372-Q410 WeakPolarHBondContact O-CA 3.22Å; F383-Q410 HydrophobicContact CE2-CG 4.34Å; F383-Q410 HydrophobicContact CZ-CG 4.3Å; Q410-R416 PolarHBondContact N-O 3.43Å; Q410-R416 PolarHBondContact O-N 2.66Å; Q410-E418 HydrophobicContact CB-CG 4.04Å; Q410-E418 WeakPolarHBondContact CB-OE1 3.5Å; Q410-E418 PolarHBondContact NE2-OE1 2.87Å; Q410-R438 PolarHBondContact NE2-O 2.82Å; Q410-R438 PolarHBondContact OE1-O 2.82Å; Q410-M440 HydrophobicContact CB-SD 3.9Å; Q410-M440 VanDerWaalsContact CD-CG 3.4Å; Q410-M440 HydrophobicContact CG-CB 4.47Å; Q410-M440 HydrophobicContact CG-CG 4.1Å; Q410-M440 HydrophobicContact CG-SD 3.52Å; Q410-M440 VanDerWaalsContact CG-SD 3.52Å
411F98.3Very high94.8Very high0 Ų038.6 Ų38.60%019%0.186CC..EExtended strand (participates in β ladder)trans-135.4149.9178.874.3-83.9000113.4L371 I372 D373 G374 D414 Q415 T444 T446 A449L371-F411 HydrophobicContact CD1-CD1 3.78Å; L371-F411 HydrophobicContact CD1-CE1 4.43Å; L371-F411 HydrophobicContact CD1-CG 4.49Å; L371-F411 HydrophobicContact CG-CD1 3.68Å; L371-F411 HydrophobicContact CG-CE1 3.82Å; I372-F411 VanDerWaalsContact O-CD1 3.27Å; I372-F411 WeakPolarHBondContact O-CD1 3.31Å; I372-F411 PolarHBondContact O-N 3.12Å; D373-F411 HydrophobicContact CB-CE1 3.92Å; D373-F411 HydrophobicContact CB-CE2 4.47Å; D373-F411 HydrophobicContact CB-CZ 3.75Å; G374-F411 PolarHBondContact N-O 3.03Å; F411-D414 CarbonylContact C-O 3.55Å; F411-D414 WeakPolarHBondContact CA-O 3.49Å; F411-Q415 HydrophobicContact CB-CG 4.27Å; F411-T444 HydrophobicContact CE2-CG2 3.92Å; F411-T446 HydrophobicContact CE2-CG2 4.39Å; F411-T446 WeakPolarHBondContact CE2-OG1 3.44Å; F411-T446 HydrophobicContact CZ-CG2 4.09Å; F411-A449 HydrophobicContact CB-CB 3.51Å; F411-A449 HydrophobicContact CD1-CB 3.92Å; F411-A449 HydrophobicContact CD2-CB 3.69Å; F411-A449 HydrophobicContact CE2-CB 4.4Å; F411-A449 HydrophobicContact CG-CB 3.42Å; F411-A449 VanDerWaalsContact CG-CB 3.42Å
412T96.8Very high95.4Very high4 Ų438 Ų383%0.02519%0.186CC..SBendtrans-132.7-115.7163.362.20000109G374 D414 M440 G443 A445G374-T412 VanDerWaalsContact C-CG2 3.49Å; G374-T412 VanDerWaalsContact O-CG2 3.24Å; G374-T412 WeakPolarHBondContact O-CG2 3.4Å; T412-D414 PolarHBondContact N-O 2.72Å; T412-D414 PolarHBondContact OG1-N 2.96Å; T412-M440 HydrophobicContact CG2-CB 3.77Å; T412-M440 HydrophobicContact CG2-CE 3.88Å; T412-G443 CarbonylContact C-O 3.54Å; T412-G443 WeakPolarHBondContact CA-O 3.49Å; T412-G443 WeakPolarHBondContact CB-O 3.16Å; T412-A445 WeakPolarHBondContact O-CB 3.39Å; T412-A445 PolarHBondContact O-N 3.46Å
413Y93.9Very high96.4Very high131 Ų13138.7 Ų38.751%0.51419%0.191SC..SBendtrans-75.5-30155.4-65.1-61000111.4Q415 G443 Y479Y413-Q415 PolarHBondContact O-NE2 2.77Å; Y413-G443 VanDerWaalsContact CD2-N 3.32Å; Y413-G443 VanDerWaalsContact CE2-CA 3.46Å; Y413-G443 VanDerWaalsContact CZ-CA 3.47Å; Y413-G443 PolarHBondContact N-O 3.45Å; Y413-Y479 HydrophobicContact CE1-CD2 4.04Å
414D94.6Very high96.8Very high115 Ų11543 Ų4362%0.61521%0.208SC*.SBendtrans-103.4152.4176.6-61.3-56.9000110.2F411 T412F411-D414 CarbonylContact C-O 3.55Å; F411-D414 WeakPolarHBondContact CA-O 3.49Å; T412-D414 PolarHBondContact N-O 2.72Å; T412-D414 PolarHBondContact OG1-N 2.96Å
415Q97.4Very high96.6Very high49 Ų4945.2 Ų45.223%0.22922%0.223CC..EExtended strand (participates in β ladder)trans-109.3134.5176.5-56.273.93400110.3V409 F411 Y413 A449 F452V409-Q415 HydrophobicContact CG1-CB 4.39Å; F411-Q415 HydrophobicContact CB-CG 4.27Å; Y413-Q415 PolarHBondContact O-NE2 2.77Å; Q415-A449 HydrophobicContact CG-CB 4.07Å; Q415-F452 HydrophobicContact CB-CB 4.09Å; Q415-F452 HydrophobicContact CB-CD1 3.64Å; Q415-F452 HydrophobicContact CB-CD2 3.85Å; Q415-F452 HydrophobicContact CB-CE1 3.99Å; Q415-F452 HydrophobicContact CB-CE2 4.18Å; Q415-F452 HydrophobicContact CB-CG 3.57Å; Q415-F452 HydrophobicContact CB-CZ 4.26Å; Q415-F452 HydrophobicContact CG-CB 3.78Å; Q415-F452 HydrophobicContact CG-CD1 4.24Å; Q415-F452 HydrophobicContact CG-CD2 4.32Å; Q415-F452 HydrophobicContact CG-CG 3.86Å
416R97.9Very high96.4Very high125 Ų12544.7 Ų44.747%0.47223%0.225SC..EExtended strand (participates in β ladder)trans-125.5117176-175.6-179.7-64.1161.64.3109.8V409 Q410 E418 M440V409-R416 CarbonylContact C-O 3.57Å; V409-R416 WeakPolarHBondContact CA-O 3.39Å; Q410-R416 PolarHBondContact N-O 3.43Å; Q410-R416 PolarHBondContact O-N 2.66Å; R416-E418 WeakPolarHBondContact CD-OE1 3.46Å; R416-E418 PolarHBondContact O-N 2.84Å; R416-E418 VanDerWaalsContact O-N 3.17Å; R416-M440 HydrophobicContact CB-SD 4.16Å
417T98.4Very high96.1Very high49 Ų4946.5 Ų46.530%0.30123%0.233SC..EExtended strand (participates in β ladder)trans-67.9110.8164.1-53.50000108.1F452 V457T417-F452 WeakPolarHBondContact OG1-CE1 3.45Å; T417-V457 HydrophobicContact CG2-CG2 4.48Å
418E98.5Very high96Very high47 Ų4752.8 Ų52.822%0.2226%0.262CS..EExtended strand (participates in β ladder)trans-75.1-40.4174-62.5-65.1159.700109.7A408 Q410 R416 I437A408-E418 HydrophobicContact CB-CB 4.34Å; A408-E418 PolarHBondContact O-N 3.48Å; Q410-E418 HydrophobicContact CB-CG 4.04Å; Q410-E418 WeakPolarHBondContact CB-OE1 3.5Å; Q410-E418 PolarHBondContact NE2-OE1 2.87Å; R416-E418 WeakPolarHBondContact CD-OE1 3.46Å; R416-E418 PolarHBondContact O-N 2.84Å; R416-E418 VanDerWaalsContact O-N 3.17Å; E418-I437 HydrophobicContact CB-CD1 4.02Å; E418-I437 HydrophobicContact CB-CG1 4.05Å; E418-I437 HydrophobicContact CG-CD1 4.01Å; E418-I437 HydrophobicContact CG-CG1 4Å; E418-I437 HydrophobicContact CG-CG2 3.84Å
419F98.4Very high96Very high2 Ų256.5 Ų56.51%0.00928%0.282CS..EExtended strand (participates in β ladder)trans-163.6151.8167.661.3-85.2000111.9I406 A407 A408 D423 Y424 V430 V433 I434 I437I406-F419 HydrophobicContact CB-CE2 4.36Å; I406-F419 HydrophobicContact CG2-CE2 4.03Å; I406-F419 HydrophobicContact CG2-CZ 4.13Å; I406-F419 WeakPolarHBondContact O-CE2 3.37Å; A407-F419 WeakPolarHBondContact CA-O 3.4Å; A408-F419 HydrophobicContact CB-CD1 3.95Å; A408-F419 HydrophobicContact CB-CE1 3.37Å; A408-F419 HydrophobicContact CB-CZ 3.7Å; A408-F419 PolarHBondContact N-O 3.4Å; A408-F419 PolarHBondContact O-N 3.16Å; F419-D423 WeakPolarHBondContact CA-OD2 3.3Å; F419-D423 HydrophobicContact CB-CB 4.22Å; F419-Y424 HydrophobicContact CB-CD2 3.9Å; F419-Y424 HydrophobicContact CB-CE2 3.61Å; F419-Y424 AromaticContact CD2-CD2 3.93Å; F419-Y424 HydrophobicContact CD2-CD2 3.93Å; F419-Y424 HydrophobicContact CD2-CE2 4.42Å; F419-Y424 AromaticContact CG-CD2 3.96Å; F419-Y424 HydrophobicContact CG-CD2 3.96Å; F419-Y424 AromaticContact CG-CE2 3.97Å; F419-Y424 HydrophobicContact CG-CE2 3.97Å; F419-V430 HydrophobicContact CE2-CG1 4.32Å; F419-V430 HydrophobicContact CZ-CG1 4.25Å; F419-V433 HydrophobicContact CD1-CG1 3.56Å; F419-V433 HydrophobicContact CD1-CG2 4.12Å; F419-V433 HydrophobicContact CE1-CG1 3.53Å; F419-V433 HydrophobicContact CE2-CG1 4.47Å; F419-V433 HydrophobicContact CG-CG1 4.08Å; F419-V433 HydrophobicContact CZ-CG1 4.02Å; F419-I434 HydrophobicContact CE1-CG1 3.82Å; F419-I434 HydrophobicContact CZ-CD1 4.22Å; F419-I434 HydrophobicContact CZ-CG1 3.74Å; F419-I437 HydrophobicContact CE1-CD1 4.35Å
420S97.3Very high95.9Very high35 Ų3556.5 Ų56.525%0.24528%0.282CS..  trans-96.3169.2179.8-52.30000112T422 D423S420-T422 PolarHBondContact O-N 2.77Å; S420-D423 PolarHBondContact N-OD2 3.05Å; S420-D423 PolarHBondContact O-N 2.94Å
421F96.4Very high95.9Very high7 Ų757.7 Ų57.73%0.03129%0.288CS..THydrogen-bonded Turntrans-59.4-13.5179.3-69.5-58.8000115.7N367 I368 A369 K405 A407 V457 F458 I461N367-F421 HydrophobicContact CB-CD1 4.29Å; N367-F421 HydrophobicContact CB-CE1 3.8Å; N367-F421 HydrophobicContact CB-CE2 4.4Å; N367-F421 HydrophobicContact CB-CZ 3.86Å; I368-F421 WeakPolarHBondContact O-CE1 3.38Å; A369-F421 HydrophobicContact CB-CZ 3.89Å; K405-F421 HydrophobicContact CB-CB 4.12Å; K405-F421 HydrophobicContact CB-CD1 3.7Å; K405-F421 HydrophobicContact CB-CG 4.28Å; K405-F421 HydrophobicContact CD-CB 4.41Å; K405-F421 WeakPolarHBondContact O-CE1 3.26Å; A407-F421 HydrophobicContact CB-CD1 3.7Å; A407-F421 HydrophobicContact CB-CD2 4.24Å; A407-F421 HydrophobicContact CB-CE1 3.64Å; A407-F421 HydrophobicContact CB-CE2 4.22Å; A407-F421 HydrophobicContact CB-CG 4.01Å; A407-F421 HydrophobicContact CB-CZ 3.92Å; F421-V457 HydrophobicContact CD2-CG1 3.83Å; F421-V457 WeakPolarHBondContact CD2-O 3.29Å; F421-V457 HydrophobicContact CE2-CG1 3.49Å; F421-V457 VanDerWaalsContact CE2-CG1 3.49Å; F421-V457 HydrophobicContact CZ-CG1 4.1Å; F421-F458 AromaticContact CE2-CD1 3.75Å; F421-F458 HydrophobicContact CE2-CD1 3.75Å; F421-F458 AromaticContact CE2-CE1 3.73Å; F421-F458 HydrophobicContact CE2-CE1 3.73Å; F421-F458 HydrophobicContact CE2-CG 4.36Å; F421-F458 HydrophobicContact CE2-CZ 4.35Å; F421-F458 HydrophobicContact CZ-CD1 4.06Å; F421-F458 AromaticContact CZ-CE1 3.54Å; F421-F458 HydrophobicContact CZ-CE1 3.54Å; F421-F458 AromaticContact CZ-CZ 3.95Å; F421-F458 HydrophobicContact CZ-CZ 3.95Å; F421-I461 HydrophobicContact CB-CG2 4.34Å; F421-I461 HydrophobicContact CD2-CD1 3.3Å; F421-I461 HydrophobicContact CD2-CG1 3.76Å; F421-I461 HydrophobicContact CD2-CG2 4.28Å; F421-I461 HydrophobicContact CE2-CD1 3.34Å; F421-I461 HydrophobicContact CE2-CG1 4.01Å; F421-I461 HydrophobicContact CG-CD1 4.06Å; F421-I461 HydrophobicContact CZ-CD1 4.16Å
422T92.8Very high95.9Very high104 Ų10459.8 Ų59.864%0.63831%0.306SS*.THydrogen-bonded Turntrans-111.2-7-175.551.20000113.4S420S420-T422 PolarHBondContact O-N 2.77Å
423D95.3Very high96Very high86 Ų8660.9 Ų60.946%0.4631%0.312SS..THydrogen-bonded Turntrans-78.9-30.1-170.9-63.5-9.4000111.6F419 S420F419-D423 WeakPolarHBondContact CA-OD2 3.3Å; F419-D423 HydrophobicContact CB-CB 4.22Å; S420-D423 PolarHBondContact N-OD2 3.05Å; S420-D423 PolarHBondContact O-N 2.94Å
424Y95.1Very high96.2Very high90 Ų9054.7 Ų54.735%0.35329%0.288SS..  trans-135.8133.5179.3-57.9-72.4000110.9F419 D429 V433F419-Y424 HydrophobicContact CB-CD2 3.9Å; F419-Y424 HydrophobicContact CB-CE2 3.61Å; F419-Y424 AromaticContact CD2-CD2 3.93Å; F419-Y424 HydrophobicContact CD2-CD2 3.93Å; F419-Y424 HydrophobicContact CD2-CE2 4.42Å; F419-Y424 AromaticContact CG-CD2 3.96Å; F419-Y424 HydrophobicContact CG-CD2 3.96Å; F419-Y424 AromaticContact CG-CE2 3.97Å; F419-Y424 HydrophobicContact CG-CE2 3.97Å; Y424-D429 HydrophobicContact CD1-CB 3.7Å; Y424-D429 HydrophobicContact CE1-CB 4.47Å; Y424-D429 HydrophobicContact CG-CB 4.24Å; Y424-V433 HydrophobicContact CD2-CG1 3.84Å; Y424-V433 HydrophobicContact CE2-CB 3.89Å; Y424-V433 HydrophobicContact CE2-CG1 3.63Å; Y424-V433 HydrophobicContact CE2-CG2 3.85Å
425S87.8Confident96.3Very high47 Ų4756.6 Ų56.633%0.32929%0.286SS..  trans-115.91.9-178.161.50000114.1S400 D401S400-S425 VanDerWaalsContact CA-O 3.26Å; S400-S425 WeakPolarHBondContact CA-O 3.43Å; D401-S425 WeakPolarHBondContact OD1-CB 3.16Å
426T91.6Very high96.3Very high44 Ų4460 Ų6027%0.2731%0.306SS..SBendtrans-116.2148.7176.879.50000111.1E428 D429 V430T426-E428 PolarHBondContact O-N 2.98Å; T426-D429 PolarHBondContact O-N 2.99Å; T426-D429 WeakPolarHBondContact OG1-CB 3.3Å; T426-D429 PolarHBondContact OG1-N 3.19Å; T426-D429 VanDerWaalsContact OG1-N 3.1Å; T426-D429 PolarHBondContact OG1-OD2 3.37Å; T426-V430 WeakPolarHBondContact O-CG2 3.38Å; T426-V430 PolarHBondContact O-N 3.25Å; T426-V430 VanDerWaalsContact O-N 3.16Å
427K93.4Very high96.4Very high41 Ų4154.1 Ų54.118%0.17828%0.284CS..Hα-helixtrans-61.1-40.1177.2-174.3177.4-62.4-162.80110.4K395 F397 E398 I399 L431K395-K427 PolarHBondContact O-NZ 3.11Å; K395-K427 VanDerWaalsContact O-NZ 3.1Å; F397-K427 WeakPolarHBondContact O-CE 3.5Å; F397-K427 PolarHBondContact O-NZ 3.02Å; E398-K427 IonicContact OE1-NZ 2.64Å; E398-K427 PolarHBondContact OE1-NZ 3.23Å; E398-K427 IonicContact OE2-NZ 2.83Å; I399-K427 HydrophobicContact CB-CB 4.16Å; I399-K427 HydrophobicContact CD1-CB 4.48Å; I399-K427 HydrophobicContact CD1-CG 4.28Å; K427-L431 HydrophobicContact CG-CD1 4.02Å; K427-L431 HydrophobicContact CG-CG 4.48Å; K427-L431 WeakPolarHBondContact O-CB 3.47Å; K427-L431 WeakPolarHBondContact O-CG 3.47Å; K427-L431 PolarHBondContact O-N 3.16Å
428E96.9Very high96.3Very high132 Ų13261.3 Ų61.362%0.61731%0.306SS*.Hα-helixtrans-63.5-47-178.5-65.767.9-14900111.7T426 L431 A432T426-E428 PolarHBondContact O-N 2.98Å; E428-L431 PolarHBondContact O-N 3.37Å; E428-A432 WeakPolarHBondContact O-CB 2.99Å; E428-A432 PolarHBondContact O-N 3.32Å
429D97.3Very high96.3Very high78 Ų7861.8 Ų61.842%0.41731%0.306SS..Hα-helixtrans-67-42.5-180-63.6-36.6000111.6Y424 T426 L431 A432 V433Y424-D429 HydrophobicContact CD1-CB 3.7Å; Y424-D429 HydrophobicContact CE1-CB 4.47Å; Y424-D429 HydrophobicContact CG-CB 4.24Å; T426-D429 PolarHBondContact O-N 2.99Å; T426-D429 WeakPolarHBondContact OG1-CB 3.3Å; T426-D429 PolarHBondContact OG1-N 3.19Å; T426-D429 VanDerWaalsContact OG1-N 3.1Å; T426-D429 PolarHBondContact OG1-OD2 3.37Å; D429-L431 PolarHBondContact O-N 2.87Å; D429-A432 PolarHBondContact O-N 3.11Å; D429-V433 PolarHBondContact O-N 3.4Å
430V98.3Very high96.1Very high1 Ų162.7 Ų62.71%0.00631%0.311CS..Hα-helixtrans-59.5-46.9175.8170.10000110.9I399 I406 F419 T426 A432 V433 I434I399-V430 HydrophobicContact CD1-CB 4Å; I399-V430 HydrophobicContact CD1-CG1 3.85Å; I399-V430 HydrophobicContact CD1-CG2 4.29Å; I399-V430 HydrophobicContact CG2-CG2 4.03Å; I406-V430 HydrophobicContact CB-CG1 3.95Å; I406-V430 HydrophobicContact CG1-CG1 4.24Å; I406-V430 HydrophobicContact CG2-CG1 4.02Å; F419-V430 HydrophobicContact CE2-CG1 4.32Å; F419-V430 HydrophobicContact CZ-CG1 4.25Å; T426-V430 WeakPolarHBondContact O-CG2 3.38Å; T426-V430 PolarHBondContact O-N 3.25Å; T426-V430 VanDerWaalsContact O-N 3.16Å; V430-A432 VanDerWaalsContact C-N 3.31Å; V430-A432 PolarHBondContact O-N 3.12Å; V430-V433 VanDerWaalsContact O-CG1 3.27Å; V430-V433 WeakPolarHBondContact O-CG1 3.4Å; V430-V433 PolarHBondContact O-N 3.05Å; V430-I434 HydrophobicContact CG1-CD1 3.64Å; V430-I434 HydrophobicContact CG1-CG1 4.41Å; V430-I434 WeakPolarHBondContact O-CD1 3.09Å; V430-I434 WeakPolarHBondContact O-CG1 3.35Å; V430-I434 PolarHBondContact O-N 3.12Å
431L98.4Very high95.9Very high25 Ų2564.9 Ų64.913%0.13133%0.326CS..Hα-helixtrans-67.3-33.3178.6-66.9176.2000112.3S391 A394 K395 K427 E428 D429 R435S391-L431 WeakPolarHBondContact O-CD2 3.32Å; A394-L431 HydrophobicContact CB-CD2 4.25Å; K395-L431 HydrophobicContact CB-CD1 3.94Å; K395-L431 HydrophobicContact CB-CD2 4Å; K427-L431 HydrophobicContact CG-CD1 4.02Å; K427-L431 HydrophobicContact CG-CG 4.48Å; K427-L431 WeakPolarHBondContact O-CB 3.47Å; K427-L431 WeakPolarHBondContact O-CG 3.47Å; K427-L431 PolarHBondContact O-N 3.16Å; E428-L431 PolarHBondContact O-N 3.37Å; D429-L431 PolarHBondContact O-N 2.87Å; L431-R435 WeakPolarHBondContact O-CD 3.4Å; L431-R435 VanDerWaalsContact O-CG 3.28Å; L431-R435 WeakPolarHBondContact O-CG 3.38Å; L431-R435 PolarHBondContact O-N 3.42Å
432A98.2Very high95.8Very high44 Ų4465.6 Ų65.636%0.36434%0.335SS..Hα-helixtrans-68.5-43.7176.100000112E428 D429 V430 N436E428-A432 WeakPolarHBondContact O-CB 2.99Å; E428-A432 PolarHBondContact O-N 3.32Å; D429-A432 PolarHBondContact O-N 3.11Å; V430-A432 VanDerWaalsContact C-N 3.31Å; V430-A432 PolarHBondContact O-N 3.12Å; A432-N436 PolarHBondContact O-N 3.36Å; A432-N436 PolarHBondContact O-ND2 3.32Å
433V98.2Very high95.8Very high27 Ų2761 Ų6116%0.16431%0.308CS..Hα-helixtrans-68.7-41.917971.80000111.4F419 Y424 D429 V430 R435 N436 I437F419-V433 HydrophobicContact CD1-CG1 3.56Å; F419-V433 HydrophobicContact CD1-CG2 4.12Å; F419-V433 HydrophobicContact CE1-CG1 3.53Å; F419-V433 HydrophobicContact CE2-CG1 4.47Å; F419-V433 HydrophobicContact CG-CG1 4.08Å; F419-V433 HydrophobicContact CZ-CG1 4.02Å; Y424-V433 HydrophobicContact CD2-CG1 3.84Å; Y424-V433 HydrophobicContact CE2-CB 3.89Å; Y424-V433 HydrophobicContact CE2-CG1 3.63Å; Y424-V433 HydrophobicContact CE2-CG2 3.85Å; D429-V433 PolarHBondContact O-N 3.4Å; V430-V433 VanDerWaalsContact O-CG1 3.27Å; V430-V433 WeakPolarHBondContact O-CG1 3.4Å; V430-V433 PolarHBondContact O-N 3.05Å; V433-R435 VanDerWaalsContact C-N 3.31Å; V433-R435 PolarHBondContact O-N 3.32Å; V433-N436 CarbonylContact O-C 3.57Å; V433-N436 PolarHBondContact O-N 3.15Å; V433-I437 PolarHBondContact O-N 3.33Å; V433-I437 VanDerWaalsContact O-N 3.16Å
434I98.6Very high95.7Very high0 Ų057.1 Ų57.10%029%0.288CS..Hα-helixtrans-55.3-46.5178.2-70163000110.9L387 V390 S391 A394 F419 V430 N436 I437L387-I434 HydrophobicContact CB-CG2 4.48Å; L387-I434 WeakPolarHBondContact CD1-O 3.47Å; L387-I434 HydrophobicContact CD2-CG2 4.37Å; V390-I434 HydrophobicContact CB-CG2 4.37Å; V390-I434 HydrophobicContact CG1-CD1 4.12Å; V390-I434 HydrophobicContact CG1-CG1 4.42Å; V390-I434 HydrophobicContact CG1-CG2 3.96Å; S391-I434 WeakPolarHBondContact OG-CG2 3.28Å; A394-I434 HydrophobicContact CB-CD1 4.01Å; F419-I434 HydrophobicContact CE1-CG1 3.82Å; F419-I434 HydrophobicContact CZ-CD1 4.22Å; F419-I434 HydrophobicContact CZ-CG1 3.74Å; V430-I434 HydrophobicContact CG1-CD1 3.64Å; V430-I434 HydrophobicContact CG1-CG1 4.41Å; V430-I434 WeakPolarHBondContact O-CD1 3.09Å; V430-I434 WeakPolarHBondContact O-CG1 3.35Å; V430-I434 PolarHBondContact O-N 3.12Å; I434-N436 PolarHBondContact O-N 2.83Å; I434-I437 WeakPolarHBondContact O-CG1 3.37Å; I434-I437 PolarHBondContact O-N 3.1Å
435R97.2Very high95.8Very high155 Ų15553.2 Ų53.259%0.58527%0.274SS*.Hα-helixtrans-63.8-24.1-179.9-70.8170.6-176.4169.91.8113.7R384 L431 V433R384-R435 PolarHBondContact NH1-O 2.76Å; L431-R435 WeakPolarHBondContact O-CD 3.4Å; L431-R435 VanDerWaalsContact O-CG 3.28Å; L431-R435 WeakPolarHBondContact O-CG 3.38Å; L431-R435 PolarHBondContact O-N 3.42Å; V433-R435 VanDerWaalsContact C-N 3.31Å; V433-R435 PolarHBondContact O-N 3.32Å
436N97.4Very high96.2Very high120 Ų12051 Ų5164%0.64226%0.259SS*.Hα-helixtrans-100.10.7-176.2-71.7-47.7000113.7A432 V433 I434 R438A432-N436 PolarHBondContact O-N 3.36Å; A432-N436 PolarHBondContact O-ND2 3.32Å; V433-N436 CarbonylContact O-C 3.57Å; V433-N436 PolarHBondContact O-N 3.15Å; I434-N436 PolarHBondContact O-N 2.83Å; N436-R438 PolarHBondContact O-N 2.94Å
437I98.4Very high96.5Very high3 Ų349 Ų492%0.01525%0.246CC..PPolyproline II helixtrans-55.5127172-67.3171.9000108.4I372 F383 L387 A408 E418 F419 V433 I434I372-I437 HydrophobicContact CD1-CD1 4.32Å; F383-I437 HydrophobicContact CE1-CG2 4.03Å; F383-I437 HydrophobicContact CZ-CG2 3.83Å; L387-I437 HydrophobicContact CD1-CB 4.11Å; L387-I437 HydrophobicContact CD2-CB 3.97Å; L387-I437 HydrophobicContact CD2-CD1 3.98Å; L387-I437 HydrophobicContact CD2-CG2 4.26Å; A408-I437 HydrophobicContact CB-CD1 4.12Å; E418-I437 HydrophobicContact CB-CD1 4.02Å; E418-I437 HydrophobicContact CB-CG1 4.05Å; E418-I437 HydrophobicContact CG-CD1 4.01Å; E418-I437 HydrophobicContact CG-CG1 4Å; E418-I437 HydrophobicContact CG-CG2 3.84Å; F419-I437 HydrophobicContact CE1-CD1 4.35Å; V433-I437 PolarHBondContact O-N 3.33Å; V433-I437 VanDerWaalsContact O-N 3.16Å; I434-I437 WeakPolarHBondContact O-CG1 3.37Å; I434-I437 PolarHBondContact O-N 3.1Å
438R97.5Very high96.7Very high200 Ų20051.3 Ų51.376%0.75526%0.26SS*.PPolyproline II helixtrans-86.6128.7-179-66-175.7-178.2-179.11.1109.3Q410 N436 M440Q410-R438 PolarHBondContact NE2-O 2.82Å; Q410-R438 PolarHBondContact OE1-O 2.82Å; N436-R438 PolarHBondContact O-N 2.94Å; R438-M440 PolarHBondContact O-N 3.41Å
439Y98Very high96.8Very high57 Ų5745 Ų4522%0.22423%0.231CC..PPolyproline II helixtrans-54.5129.3173.4175.2-126.7000110.9G374 S375 S376 V378 G379 D380 F383G374-Y439 WeakPolarHBondContact O-CE2 3.48Å; S375-Y439 PolarHBondContact O-OH 3.03Å; S376-Y439 WeakPolarHBondContact CA-OH 3.5Å; V378-Y439 HydrophobicContact CB-CE2 4.5Å; G379-Y439 WeakPolarHBondContact CA-OH 3.43Å; G379-Y439 PolarHBondContact N-OH 3.44Å; D380-Y439 HydrophobicContact CB-CD1 3.86Å; D380-Y439 HydrophobicContact CB-CE1 4.34Å; D380-Y439 HydrophobicContact CB-CG 4.46Å; F383-Y439 HydrophobicContact CB-CD2 3.74Å; F383-Y439 HydrophobicContact CB-CE2 4.33Å; F383-Y439 HydrophobicContact CB-CG 4.25Å; F383-Y439 HydrophobicContact CD1-CD2 4.01Å; F383-Y439 HydrophobicContact CD1-CG 4.21Å; F383-Y439 AromaticContact CD2-CD2 3.77Å; F383-Y439 HydrophobicContact CD2-CD2 3.77Å; F383-Y439 HydrophobicContact CD2-CE2 4.44Å; F383-Y439 HydrophobicContact CE2-CD2 4.36Å; F383-Y439 AromaticContact CG-CD2 3.56Å; F383-Y439 HydrophobicContact CG-CD2 3.56Å; F383-Y439 HydrophobicContact CG-CE2 4.44Å; F383-Y439 HydrophobicContact CG-CG 4.16Å
440M94.5Very high96.9Very high21 Ų2141.3 Ų41.310%0.10321%0.211CC..  trans-80.9-166.7168-73.6173.86600110.1G374 Q410 T412 R416 R438G374-M440 CarbonylContact O-C 3.52Å; Q410-M440 HydrophobicContact CB-SD 3.9Å; Q410-M440 VanDerWaalsContact CD-CG 3.4Å; Q410-M440 HydrophobicContact CG-CB 4.47Å; Q410-M440 HydrophobicContact CG-CG 4.1Å; Q410-M440 HydrophobicContact CG-SD 3.52Å; Q410-M440 VanDerWaalsContact CG-SD 3.52Å; T412-M440 HydrophobicContact CG2-CB 3.77Å; T412-M440 HydrophobicContact CG2-CE 3.88Å; R416-M440 HydrophobicContact CB-SD 4.16Å; R438-M440 PolarHBondContact O-N 3.41Å
441S92.2Very high96.9Very high81 Ų8142.9 Ų42.957%0.56622%0.222SC*.  trans-164.9135.3168-174.10000106.7G374 S376G374-S441 WeakPolarHBondContact O-CA 3.46Å; G374-S441 PolarHBondContact O-N 3.28Å; S376-S441 PolarHBondContact OG-OG 3.36Å
442G93.9Very high96.9Very high22 Ų2243.6 Ų43.623%0.22722%0.224CC..SBendtrans164.2-165.4-174.900000111.4S375 S376S375-G442 WeakPolarHBondContact CA-O 3.08Å; S375-G442 WeakPolarHBondContact CB-O 3.12Å; S376-G442 PolarHBondContact N-O 3.2Å; S376-G442 PolarHBondContact OG-N 3.16Å; S376-G442 PolarHBondContact OG-O 3.01Å
443G93.6Very high96.9Very high6 Ų641.5 Ų41.56%0.06221%0.207CC..  trans-81.6-168.9172.100000112.8S375 T412 Y413S375-G443 WeakPolarHBondContact CB-O 3.48Å; T412-G443 CarbonylContact C-O 3.54Å; T412-G443 WeakPolarHBondContact CA-O 3.49Å; T412-G443 WeakPolarHBondContact CB-O 3.16Å; Y413-G443 VanDerWaalsContact CD2-N 3.32Å; Y413-G443 VanDerWaalsContact CE2-CA 3.46Å; Y413-G443 VanDerWaalsContact CZ-CA 3.47Å; Y413-G443 PolarHBondContact N-O 3.45Å
444T93.4Very high96.9Very high6 Ų641.2 Ų41.24%0.03721%0.205CC..  trans-125.594.4-171.4-47.30000109.4D373 S375 F411 S478 Y479D373-T444 WeakPolarHBondContact OD2-CG2 3.41Å; S375-T444 WeakPolarHBondContact CB-OG1 3.42Å; S375-T444 PolarHBondContact OG-OG1 3.41Å; F411-T444 HydrophobicContact CE2-CG2 3.92Å; T444-S478 CarbonylContact O-C 3.01Å; T444-S478 WeakPolarHBondContact O-CA 3.45Å; T444-S478 PolarHBondContact O-OG 2.72Å; T444-Y479 WeakPolarHBondContact O-CD2 3.42Å; T444-Y479 PolarHBondContact O-N 2.83Å
445A96.6Very high96.9Very high7 Ų749.3 Ų49.36%0.05824%0.236CC..  trans-109.375.6176.800000110.1T412 D448 A449T412-A445 WeakPolarHBondContact O-CB 3.39Å; T412-A445 PolarHBondContact O-N 3.46Å; A445-D448 HydrophobicContact CB-CB 4.48Å; A445-A449 VanDerWaalsContact O-CB 3.28Å; A445-A449 WeakPolarHBondContact O-CB 3.43Å; A445-A449 PolarHBondContact O-N 3.45Å; A445-A449 VanDerWaalsContact O-N 3.15Å
446T96.9Very high96.9Very high2 Ų245.6 Ų45.61%0.01223%0.227CC..Hα-helixtrans-69.4-34.8-174.5-49.80000112.4F411 A449 I450 I472 S478 D480 M512F411-T446 HydrophobicContact CE2-CG2 4.39Å; F411-T446 WeakPolarHBondContact CE2-OG1 3.44Å; F411-T446 HydrophobicContact CZ-CG2 4.09Å; T446-A449 WeakPolarHBondContact O-CB 3.34Å; T446-A449 PolarHBondContact O-N 3.3Å; T446-I450 HydrophobicContact CG2-CD1 4.3Å; T446-I450 VanDerWaalsContact O-CG1 3.31Å; T446-I450 WeakPolarHBondContact O-CG1 3.5Å; T446-I450 PolarHBondContact O-N 3.11Å; T446-I472 HydrophobicContact CG2-CG2 4.08Å; T446-S478 WeakPolarHBondContact CB-OG 3.49Å; T446-S478 PolarHBondContact N-OG 3.33Å; T446-S478 PolarHBondContact OG1-OG 2.96Å; T446-D480 PolarHBondContact N-OD1 3.08Å; T446-M512 HydrophobicContact CG2-CE 4.37Å; T446-M512 HydrophobicContact CG2-SD 3.42Å; T446-M512 WeakPolarHBondContact CG2-SD 3.15Å
447G97.6Very high96.9Very high0 Ų040 Ų400%020%0.198CC..Hα-helixtrans-62.9-50.617900000112.8A449 I450 S451 D480 D481 P485G447-A449 VanDerWaalsContact C-N 3.26Å; G447-A449 PolarHBondContact O-N 3.08Å; G447-I450 PolarHBondContact O-N 3.14Å; G447-S451 PolarHBondContact O-N 3.47Å; G447-S451 PolarHBondContact O-OG 3.25Å; G447-D480 WeakPolarHBondContact CA-OD2 3.45Å; G447-D480 PolarHBondContact N-OD1 2.89Å; G447-D480 PolarHBondContact N-OD2 2.99Å; G447-D481 VanDerWaalsContact CA-O 3.28Å; G447-D481 WeakPolarHBondContact CA-O 3.44Å; G447-P485 WeakPolarHBondContact O-CB 3.43Å; G447-P485 WeakPolarHBondContact O-CG 3.34Å
448D98.1Very high96.8Very high90 Ų9040.2 Ų40.248%0.48120%0.199SC..Hα-helixtrans-61.4-37.3173.8-85.3-11.3000111.3A445 S451 F452 D480A445-D448 HydrophobicContact CB-CB 4.48Å; D448-S451 PolarHBondContact O-N 3.11Å; D448-F452 VanDerWaalsContact O-CB 3.29Å; D448-F452 WeakPolarHBondContact O-CB 3.36Å; D448-F452 PolarHBondContact O-N 3.2Å; D448-D480 PolarHBondContact N-OD2 3.4Å
449A98.3Very high96.8Very high0 Ų031.7 Ų31.70%017%0.173CC..Hα-helixtrans-64.6-38.7176.100000113.5L371 F411 Q415 A445 T446 G447 T453L371-A449 HydrophobicContact CD1-CB 3.92Å; L371-A449 HydrophobicContact CD2-CB 3.91Å; L371-A449 HydrophobicContact CG-CB 4.24Å; F411-A449 HydrophobicContact CB-CB 3.51Å; F411-A449 HydrophobicContact CD1-CB 3.92Å; F411-A449 HydrophobicContact CD2-CB 3.69Å; F411-A449 HydrophobicContact CE2-CB 4.4Å; F411-A449 HydrophobicContact CG-CB 3.42Å; F411-A449 VanDerWaalsContact CG-CB 3.42Å; Q415-A449 HydrophobicContact CG-CB 4.07Å; A445-A449 VanDerWaalsContact O-CB 3.28Å; A445-A449 WeakPolarHBondContact O-CB 3.43Å; A445-A449 PolarHBondContact O-N 3.45Å; A445-A449 VanDerWaalsContact O-N 3.15Å; T446-A449 WeakPolarHBondContact O-CB 3.34Å; T446-A449 PolarHBondContact O-N 3.3Å; G447-A449 VanDerWaalsContact C-N 3.26Å; G447-A449 PolarHBondContact O-N 3.08Å; A449-T453 WeakPolarHBondContact O-CB 3.49Å; A449-T453 PolarHBondContact O-N 3.41Å; A449-T453 PolarHBondContact O-OG1 3.3Å
450I98.7Very high96.6Very high0 Ų033.9 Ų33.90%019%0.194CC..Hα-helixtrans-63-51.4171.7-67.6163.4000109.4L371 T446 G447 F452 T453 V454 L470 I472 P485 A486 A489 M512L371-I450 HydrophobicContact CD2-CG1 3.86Å; T446-I450 HydrophobicContact CG2-CD1 4.3Å; T446-I450 VanDerWaalsContact O-CG1 3.31Å; T446-I450 WeakPolarHBondContact O-CG1 3.5Å; T446-I450 PolarHBondContact O-N 3.11Å; G447-I450 PolarHBondContact O-N 3.14Å; I450-F452 VanDerWaalsContact C-N 3.28Å; I450-F452 PolarHBondContact O-N 2.8Å; I450-T453 PolarHBondContact O-N 3.31Å; I450-T453 VanDerWaalsContact O-N 3.14Å; I450-V454 HydrophobicContact CG2-CG2 4.32Å; I450-V454 VanDerWaalsContact O-CG2 3.32Å; I450-V454 WeakPolarHBondContact O-CG2 3.26Å; I450-V454 PolarHBondContact O-N 3.06Å; I450-L470 HydrophobicContact CG2-CD2 4.47Å; I450-I472 HydrophobicContact CD1-CD1 3.78Å; I450-I472 HydrophobicContact CG1-CD1 3.77Å; I450-P485 HydrophobicContact CB-CB 3.93Å; I450-P485 HydrophobicContact CG2-CB 3.93Å; I450-P485 WeakPolarHBondContact CG2-O 3.44Å; I450-A486 HydrophobicContact CD1-CB 4.47Å; I450-A489 HydrophobicContact CG2-CB 4.04Å; I450-M512 HydrophobicContact CD1-CG 4.01Å; I450-M512 HydrophobicContact CD1-SD 3.91Å
451S98.6Very high96.6Very high35 Ų3533.9 Ų33.925%0.24519%0.194CC..Hα-helixtrans-59.5-37.9-180-67.10000112.9G447 D448 R455 P485G447-S451 PolarHBondContact O-N 3.47Å; G447-S451 PolarHBondContact O-OG 3.25Å; D448-S451 PolarHBondContact O-N 3.11Å; S451-R455 WeakPolarHBondContact O-CB 3.4Å; S451-R455 WeakPolarHBondContact O-CG 3.36Å; S451-R455 PolarHBondContact O-N 3.25Å; S451-R455 PolarHBondContact O-NE 3.02Å; S451-P485 WeakPolarHBondContact OG-CB 3.32Å
452F98.6Very high96.3Very high40 Ų4039.1 Ų39.118%0.17520%0.202CC..Hα-helixtrans-65.2-48.1175.2179.4-86.6000111.2V409 Q415 T417 D448 I450 R455 N456V409-F452 HydrophobicContact CG1-CD1 4.09Å; V409-F452 HydrophobicContact CG1-CE1 4.22Å; Q415-F452 HydrophobicContact CB-CB 4.09Å; Q415-F452 HydrophobicContact CB-CD1 3.64Å; Q415-F452 HydrophobicContact CB-CD2 3.85Å; Q415-F452 HydrophobicContact CB-CE1 3.99Å; Q415-F452 HydrophobicContact CB-CE2 4.18Å; Q415-F452 HydrophobicContact CB-CG 3.57Å; Q415-F452 HydrophobicContact CB-CZ 4.26Å; Q415-F452 HydrophobicContact CG-CB 3.78Å; Q415-F452 HydrophobicContact CG-CD1 4.24Å; Q415-F452 HydrophobicContact CG-CD2 4.32Å; Q415-F452 HydrophobicContact CG-CG 3.86Å; T417-F452 WeakPolarHBondContact OG1-CE1 3.45Å; D448-F452 VanDerWaalsContact O-CB 3.29Å; D448-F452 WeakPolarHBondContact O-CB 3.36Å; D448-F452 PolarHBondContact O-N 3.2Å; I450-F452 VanDerWaalsContact C-N 3.28Å; I450-F452 PolarHBondContact O-N 2.8Å; F452-R455 PolarHBondContact O-N 3.47Å; F452-N456 HydrophobicContact CD1-CB 4.49Å; F452-N456 WeakPolarHBondContact CD2-ND2 2.92Å; F452-N456 HydrophobicContact CE1-CB 4.15Å; F452-N456 HydrophobicContact CE2-CB 4.48Å; F452-N456 WeakPolarHBondContact CE2-ND2 3.31Å; F452-N456 HydrophobicContact CZ-CB 4.14Å; F452-N456 WeakPolarHBondContact O-CB 3.48Å; F452-N456 PolarHBondContact O-N 3.4Å; F452-N456 PolarHBondContact O-ND2 3.48Å
453T98.6Very high95.8Very high0 Ų047.3 Ų47.30%023%0.234CC..Hα-helixtrans-63.3-43.7-178.9-55.90000111.6A369 L371 V409 A449 I450 R455 V457 F458 L470A369-T453 HydrophobicContact CB-CG2 4.05Å; L371-T453 VanDerWaalsContact CD1-OG1 3.32Å; L371-T453 WeakPolarHBondContact CD1-OG1 3.32Å; V409-T453 HydrophobicContact CG2-CG2 4.4Å; A449-T453 WeakPolarHBondContact O-CB 3.49Å; A449-T453 PolarHBondContact O-N 3.41Å; A449-T453 PolarHBondContact O-OG1 3.3Å; I450-T453 PolarHBondContact O-N 3.31Å; I450-T453 VanDerWaalsContact O-N 3.14Å; T453-R455 VanDerWaalsContact C-N 3.33Å; T453-R455 PolarHBondContact O-N 3.14Å; T453-V457 HydrophobicContact CG2-CB 4.07Å; T453-V457 HydrophobicContact CG2-CG2 4.31Å; T453-V457 WeakPolarHBondContact O-CA 3.28Å; T453-V457 VanDerWaalsContact O-CB 3.29Å; T453-V457 WeakPolarHBondContact O-CB 3.34Å; T453-V457 PolarHBondContact O-N 3.16Å; T453-F458 HydrophobicContact CG2-CD2 4.05Å; T453-F458 HydrophobicContact CG2-CE2 3.88Å; T453-F458 PolarHBondContact O-N 3.24Å; T453-F458 VanDerWaalsContact O-N 3.09Å; T453-L470 HydrophobicContact CG2-CD1 3.87Å
454V98.3Very high95.4Very high20 Ų2048.5 Ų48.512%0.12124%0.241CC..Iπ-helixtrans-58-45.9175.7174.10000111.2I450 G459 A489 A492 I494I450-V454 HydrophobicContact CG2-CG2 4.32Å; I450-V454 VanDerWaalsContact O-CG2 3.32Å; I450-V454 WeakPolarHBondContact O-CG2 3.26Å; I450-V454 PolarHBondContact O-N 3.06Å; V454-G459 PolarHBondContact O-N 2.94Å; V454-A489 HydrophobicContact CG2-CB 3.56Å; V454-A492 HydrophobicContact CG1-CB 4.42Å; V454-I494 HydrophobicContact CB-CD1 4.45Å; V454-I494 HydrophobicContact CG1-CD1 4.27Å; V454-I494 HydrophobicContact CG2-CD1 3.86Å
455R97.5Very high94.8Very high170 Ų17052.6 Ų52.664%0.64227%0.268SS*.Iπ-helixtrans-74-48.9-176.9-72.3-175.5-66.6172-0.9113.2S451 F452 T453 G459S451-R455 WeakPolarHBondContact O-CB 3.4Å; S451-R455 WeakPolarHBondContact O-CG 3.36Å; S451-R455 PolarHBondContact O-N 3.25Å; S451-R455 PolarHBondContact O-NE 3.02Å; F452-R455 PolarHBondContact O-N 3.47Å; T453-R455 VanDerWaalsContact C-N 3.33Å; T453-R455 PolarHBondContact O-N 3.14Å; R455-G459 WeakPolarHBondContact O-CA 3.3Å
456N97.3Very high94.4Very high77 Ų7753.2 Ų53.241%0.41227%0.271SS..Iπ-helixtrans-95.3-24.8-166.5-62-66.3000113.5F452 P460F452-N456 HydrophobicContact CD1-CB 4.49Å; F452-N456 WeakPolarHBondContact CD2-ND2 2.92Å; F452-N456 HydrophobicContact CE1-CB 4.15Å; F452-N456 HydrophobicContact CE2-CB 4.48Å; F452-N456 WeakPolarHBondContact CE2-ND2 3.31Å; F452-N456 HydrophobicContact CZ-CB 4.14Å; F452-N456 WeakPolarHBondContact O-CB 3.48Å; F452-N456 PolarHBondContact O-N 3.4Å; F452-N456 PolarHBondContact O-ND2 3.48Å; N456-P460 WeakPolarHBondContact O-CD 3.27Å; N456-P460 WeakPolarHBondContact O-CG 3.29Å
457V97.9Very high94.2Very high4 Ų456.2 Ų56.22%0.02428%0.284CS..Iπ-helixtrans-105.7-49.9-176.4-179.20000111A369 A407 V409 T417 F421 T453A369-V457 HydrophobicContact CB-CG1 4.27Å; A407-V457 HydrophobicContact CB-CG1 3.49Å; A407-V457 VanDerWaalsContact CB-CG1 3.49Å; V409-V457 HydrophobicContact CG2-CG2 3.59Å; T417-V457 HydrophobicContact CG2-CG2 4.48Å; F421-V457 HydrophobicContact CD2-CG1 3.83Å; F421-V457 WeakPolarHBondContact CD2-O 3.29Å; F421-V457 HydrophobicContact CE2-CG1 3.49Å; F421-V457 VanDerWaalsContact CE2-CG1 3.49Å; F421-V457 HydrophobicContact CZ-CG1 4.1Å; T453-V457 HydrophobicContact CG2-CB 4.07Å; T453-V457 HydrophobicContact CG2-CG2 4.31Å; T453-V457 WeakPolarHBondContact O-CA 3.28Å; T453-V457 VanDerWaalsContact O-CB 3.29Å; T453-V457 WeakPolarHBondContact O-CB 3.34Å; T453-V457 PolarHBondContact O-N 3.16Å
458F97.8Very high94.2Very high6 Ų657.2 Ų57.23%0.02629%0.289CS..Iπ-helixtrans-82.2-28.7176.4-70.3-74.2000113.5A369 F421 T453 I461 R462 N468 F469 L470 I494A369-F458 HydrophobicContact CB-CE1 4.45Å; A369-F458 HydrophobicContact CB-CE2 3.61Å; A369-F458 HydrophobicContact CB-CZ 3.49Å; A369-F458 VanDerWaalsContact CB-CZ 3.49Å; F421-F458 AromaticContact CE2-CD1 3.75Å; F421-F458 HydrophobicContact CE2-CD1 3.75Å; F421-F458 AromaticContact CE2-CE1 3.73Å; F421-F458 HydrophobicContact CE2-CE1 3.73Å; F421-F458 HydrophobicContact CE2-CG 4.36Å; F421-F458 HydrophobicContact CE2-CZ 4.35Å; F421-F458 HydrophobicContact CZ-CD1 4.06Å; F421-F458 AromaticContact CZ-CE1 3.54Å; F421-F458 HydrophobicContact CZ-CE1 3.54Å; F421-F458 AromaticContact CZ-CZ 3.95Å; F421-F458 HydrophobicContact CZ-CZ 3.95Å; T453-F458 HydrophobicContact CG2-CD2 4.05Å; T453-F458 HydrophobicContact CG2-CE2 3.88Å; T453-F458 PolarHBondContact O-N 3.24Å; T453-F458 VanDerWaalsContact O-N 3.09Å; F458-I461 HydrophobicContact CD1-CD1 4.09Å; F458-I461 CarbonylContact O-C 3.6Å; F458-I461 WeakPolarHBondContact O-CG1 3.41Å; F458-I461 PolarHBondContact O-N 2.86Å; F458-I461 VanDerWaalsContact O-N 3.11Å; F458-R462 PolarHBondContact O-N 2.81Å; F458-N468 HydrophobicContact CD1-CB 3.89Å; F458-N468 HydrophobicContact CE1-CB 3.67Å; F458-F469 WeakPolarHBondContact CZ-O 3.38Å; F458-L470 HydrophobicContact CE2-CB 4.28Å; F458-L470 HydrophobicContact CE2-CD1 4.36Å; F458-L470 HydrophobicContact CZ-CB 4.46Å; F458-I494 HydrophobicContact CB-CD1 3.96Å; F458-I494 HydrophobicContact CD1-CD1 4.37Å; F458-I494 HydrophobicContact CD1-CG1 4.4Å; F458-I494 HydrophobicContact CD2-CD1 3.61Å; F458-I494 HydrophobicContact CD2-CG1 4.35Å; F458-I494 HydrophobicContact CE2-CD1 4.15Å; F458-I494 HydrophobicContact CE2-CG2 4.14Å; F458-I494 HydrophobicContact CG-CD1 3.72Å; F458-I494 HydrophobicContact CG-CG1 4.24Å; F458-I494 HydrophobicContact CZ-CG2 4.15Å
459G96Very high94.2Very high21 Ų2153 Ų5322%0.21627%0.266CS..G310 helixtrans-51.6-49.7178.200000114.2V454 R455 I461 R462V454-G459 PolarHBondContact O-N 2.94Å; R455-G459 WeakPolarHBondContact O-CA 3.3Å; G459-I461 PolarHBondContact O-N 2.83Å; G459-R462 WeakPolarHBondContact O-CD 3.43Å; G459-R462 VanDerWaalsContact O-CG 3.28Å; G459-R462 WeakPolarHBondContact O-CG 3.3Å; G459-R462 PolarHBondContact O-N 2.87Å
460P95.1Very high94.2Very high103 Ų10353 Ų5367%0.66927%0.266SS*.G310 helixtrans-64.3-20.3178.5-2635.9000115.5N456N456-P460 WeakPolarHBondContact O-CD 3.27Å; N456-P460 WeakPolarHBondContact O-CG 3.29Å
461I92.8Very high94.2Very high21 Ų2153 Ų5311%0.10827%0.266CS..G310 helixtrans-113.923.2-176.162146.2000113N367 F421 F458 G459 E463 S464N367-I461 HydrophobicContact CB-CD1 3.84Å; N367-I461 VanDerWaalsContact ND2-CD1 3.32Å; N367-I461 WeakPolarHBondContact ND2-CD1 3.39Å; F421-I461 HydrophobicContact CB-CG2 4.34Å; F421-I461 HydrophobicContact CD2-CD1 3.3Å; F421-I461 HydrophobicContact CD2-CG1 3.76Å; F421-I461 HydrophobicContact CD2-CG2 4.28Å; F421-I461 HydrophobicContact CE2-CD1 3.34Å; F421-I461 HydrophobicContact CE2-CG1 4.01Å; F421-I461 HydrophobicContact CG-CD1 4.06Å; F421-I461 HydrophobicContact CZ-CD1 4.16Å; F458-I461 HydrophobicContact CD1-CD1 4.09Å; F458-I461 CarbonylContact O-C 3.6Å; F458-I461 WeakPolarHBondContact O-CG1 3.41Å; F458-I461 PolarHBondContact O-N 2.86Å; F458-I461 VanDerWaalsContact O-N 3.11Å; G459-I461 PolarHBondContact O-N 2.83Å; I461-E463 PolarHBondContact O-N 2.93Å; I461-E463 VanDerWaalsContact O-N 3.14Å; I461-S464 WeakPolarHBondContact O-CB 3.33Å; I461-S464 PolarHBondContact O-N 2.85Å
462R86.6Confident94.2Very high192 Ų19251.3 Ų51.373%0.72525%0.254SS*.THydrogen-bonded Turntrans-54.3-32-179.1-83.2173.4166.6-172.2-4.5114.3F458 G459 S464F458-R462 PolarHBondContact O-N 2.81Å; G459-R462 WeakPolarHBondContact O-CD 3.43Å; G459-R462 VanDerWaalsContact O-CG 3.28Å; G459-R462 WeakPolarHBondContact O-CG 3.3Å; G459-R462 PolarHBondContact O-N 2.87Å; R462-S464 VanDerWaalsContact C-N 3.32Å
463E83.5Confident94.2Very high194 Ų19449.4 Ų49.491%0.90725%0.246SC*.THydrogen-bonded Turntrans-89.44179.4-60.1-175.5171.900113.2I461I461-E463 PolarHBondContact O-N 2.93Å; I461-E463 VanDerWaalsContact O-N 3.14Å
464S84.9Confident94.1Very high30 Ų3049.5 Ų49.521%0.2125%0.247CC..  trans-61133.9178.5-1750000110.8N367 I461 R462 N466N367-S464 WeakPolarHBondContact ND2-CB 3.45Å; N367-S464 PolarHBondContact ND2-OG 3.33Å; I461-S464 WeakPolarHBondContact O-CB 3.33Å; I461-S464 PolarHBondContact O-N 2.85Å; R462-S464 VanDerWaalsContact C-N 3.32Å; S464-N466 PolarHBondContact O-N 2.85Å; S464-N466 PolarHBondContact OG-N 2.76Å
465P80.4Confident93.9Very high93 Ų9348.8 Ų48.860%0.60424%0.242SC*.SBendtrans-74.2-4.9175.132.3-36.9000113
466N88.8Confident93.2Very high20 Ų2041.4 Ų41.411%0.10722%0.219CC..SBendtrans-82.7151.2179-74.7-2.4000111.1S365 N367 G403 S464S365-N466 VanDerWaalsContact C-CG 3.48Å; S365-N466 WeakPolarHBondContact CA-OD1 3.22Å; S365-N466 WeakPolarHBondContact O-CA 3.41Å; N367-N466 WeakPolarHBondContact ND2-CB 3.49Å; N367-N466 WeakPolarHBondContact OD1-CB 3.49Å; N367-N466 PolarHBondContact OD1-ND2 3Å; N367-N466 VanDerWaalsContact OD1-ND2 3.12Å; G403-N466 PolarHBondContact O-ND2 3.46Å; S464-N466 PolarHBondContact O-N 2.85Å; S464-N466 PolarHBondContact OG-N 2.76Å
467K92.5Very high92.9Very high65 Ų6544 Ų4428%0.28323%0.228SC..EExtended strand (participates in β ladder)trans-78.9135.4176.3-167.671.9174.7179.80110.5S365 V366 N367 F469 F545S365-K467 PolarHBondContact O-N 2.93Å; V366-K467 CarbonylContact C-O 3.59Å; V366-K467 VanDerWaalsContact CA-O 3.3Å; V366-K467 WeakPolarHBondContact CA-O 3.42Å; N367-K467 PolarHBondContact N-O 3.03Å; K467-F469 HydrophobicContact CB-CE2 3.76Å; K467-F469 HydrophobicContact CB-CZ 4.37Å; K467-F469 HydrophobicContact CG-CD2 4.44Å; K467-F469 HydrophobicContact CG-CE2 3.6Å; K467-F469 HydrophobicContact CG-CZ 3.76Å; K467-F469 WeakPolarHBondContact O-CD2 3.28Å; K467-F545 HydrophobicContact CB-CD2 4.02Å
468N97.3Very high92.7Very high21 Ų2144.5 Ų44.511%0.11223%0.232CC..EExtended strand (participates in β ladder)trans-94.4128.2-174.9-66-31.4000112N367 F458 I494 T495N367-N468 WeakPolarHBondContact CB-OD1 3.46Å; N367-N468 PolarHBondContact ND2-OD1 3.08Å; F458-N468 HydrophobicContact CD1-CB 3.89Å; F458-N468 HydrophobicContact CE1-CB 3.67Å; N468-I494 HydrophobicContact CB-CG1 4.05Å; N468-T495 PolarHBondContact O-N 3.41Å
469F98.6Very high92.6Very high0 Ų052.3 Ų52.30%026%0.263CS..EExtended strand (participates in β ladder)trans-129.4136.9178.3-64.8-85.3000110.8V366 N367 I368 A369 F458 K467 T495 F497 I541 D544 F545V366-F469 HydrophobicContact CB-CD2 3.99Å; V366-F469 HydrophobicContact CB-CE2 4.05Å; V366-F469 HydrophobicContact CG1-CD2 4.08Å; V366-F469 HydrophobicContact CG1-CE2 3.61Å; N367-F469 PolarHBondContact O-N 3.31Å; I368-F469 WeakPolarHBondContact CA-O 3.36Å; I368-F469 HydrophobicContact CG1-CB 4.28Å; A369-F469 PolarHBondContact N-O 3.45Å; F458-F469 WeakPolarHBondContact CZ-O 3.38Å; K467-F469 HydrophobicContact CB-CE2 3.76Å; K467-F469 HydrophobicContact CB-CZ 4.37Å; K467-F469 HydrophobicContact CG-CD2 4.44Å; K467-F469 HydrophobicContact CG-CE2 3.6Å; K467-F469 HydrophobicContact CG-CZ 3.76Å; K467-F469 WeakPolarHBondContact O-CD2 3.28Å; F469-T495 CarbonylContact C-O 3.52Å; F469-T495 VanDerWaalsContact CA-O 3.29Å; F469-T495 WeakPolarHBondContact CA-O 3.28Å; F469-T495 HydrophobicContact CD1-CG2 3.97Å; F469-T495 HydrophobicContact CE1-CG2 3.95Å; F469-F497 HydrophobicContact CD1-CD2 4.33Å; F469-F497 AromaticContact CD1-CE2 3.75Å; F469-F497 HydrophobicContact CD1-CE2 3.75Å; F469-F497 HydrophobicContact CE1-CE2 4.12Å; F469-I541 HydrophobicContact CD1-CB 4.49Å; F469-I541 HydrophobicContact CD1-CG1 4.09Å; F469-I541 HydrophobicContact CD1-CG2 4.27Å; F469-I541 HydrophobicContact CD2-CG2 3.96Å; F469-I541 HydrophobicContact CE1-CB 4.41Å; F469-I541 HydrophobicContact CE1-CG1 4.46Å; F469-I541 HydrophobicContact CE1-CG2 4.16Å; F469-I541 HydrophobicContact CE2-CG2 3.84Å; F469-I541 HydrophobicContact CG-CG1 4.32Å; F469-I541 HydrophobicContact CG-CG2 4.16Å; F469-I541 HydrophobicContact CZ-CG2 3.94Å; F469-I541 WeakPolarHBondContact CZ-O 3.42Å; F469-D544 HydrophobicContact CE1-CB 3.98Å; F469-D544 HydrophobicContact CZ-CB 4.37Å; F469-F545 HydrophobicContact CZ-CB 4.3Å
470L98.8Very high92.6Very high0 Ų053.4 Ų53.40%026%0.264CS..EExtended strand (participates in β ladder)trans-116.5121.6173.9176.561.4000108.7A369 L371 I450 T453 F458 I472 I494 T495 I496 F497A369-L470 HydrophobicContact CB-CD1 4Å; A369-L470 WeakPolarHBondContact O-CA 3.2Å; A369-L470 WeakPolarHBondContact O-CD1 3.44Å; L371-L470 HydrophobicContact CB-CD1 3.9Å; I450-L470 HydrophobicContact CG2-CD2 4.47Å; T453-L470 HydrophobicContact CG2-CD1 3.87Å; F458-L470 HydrophobicContact CE2-CB 4.28Å; F458-L470 HydrophobicContact CE2-CD1 4.36Å; F458-L470 HydrophobicContact CZ-CB 4.46Å; L470-I472 HydrophobicContact CD2-CD1 4.23Å; L470-I472 HydrophobicContact CD2-CG1 4.19Å; L470-I472 HydrophobicContact CG-CG1 3.96Å; L470-I494 HydrophobicContact CB-CG2 3.71Å; L470-T495 PolarHBondContact N-O 3.43Å; L470-I496 HydrophobicContact CB-CG1 4.22Å; L470-I496 HydrophobicContact CD2-CD1 4.11Å; L470-I496 HydrophobicContact CD2-CG1 4.25Å; L470-I496 CarbonylContact O-C 3.52Å; L470-I496 WeakPolarHBondContact O-CA 3.37Å; L470-F497 PolarHBondContact O-N 3.44Å
471V98.8Very high92.6Very high0 Ų053 Ų530%026%0.256CS..EExtended strand (participates in β ladder)trans-106.8111.2174.8-177.50000108.2I368 A369 F370 L371 F389 V473 F497 V499 V537 I541I368-V471 HydrophobicContact CG2-CG2 4Å; A369-V471 PolarHBondContact O-N 3.17Å; F370-V471 CarbonylContact C-O 3.19Å; F370-V471 WeakPolarHBondContact CA-O 3.32Å; F370-V471 HydrophobicContact CD1-CB 3.74Å; F370-V471 HydrophobicContact CD1-CG1 4.06Å; F370-V471 HydrophobicContact CD1-CG2 4.4Å; F370-V471 HydrophobicContact CE1-CB 3.94Å; F370-V471 HydrophobicContact CE1-CG1 4.15Å; F370-V471 HydrophobicContact CE1-CG2 4.15Å; L371-V471 PolarHBondContact N-O 2.94Å; F389-V471 HydrophobicContact CE1-CG1 4.37Å; V471-V473 HydrophobicContact CG1-CG2 4.34Å; V471-F497 CarbonylContact C-O 3.59Å; V471-F497 WeakPolarHBondContact CA-O 3.4Å; V471-F497 HydrophobicContact CG2-CB 4.35Å; V471-V499 HydrophobicContact CG1-CG2 4.48Å; V471-V537 HydrophobicContact CG2-CG1 4.21Å; V471-I541 HydrophobicContact CG2-CD1 4.36Å
472I98.7Very high92.8Very high0 Ų052.4 Ų52.40%025%0.253CS..EExtended strand (participates in β ladder)trans-96130.8179.2-50.7178.7000108.5L371 T446 I450 L470 I496 F497 V499 M512L371-I472 HydrophobicContact CB-CG1 4.21Å; L371-I472 HydrophobicContact CB-CG2 4.49Å; L371-I472 HydrophobicContact CD2-CD1 4.39Å; L371-I472 HydrophobicContact CD2-CG1 4.18Å; L371-I472 HydrophobicContact CD2-CG2 4.41Å; L371-I472 WeakPolarHBondContact O-CA 3.41Å; T446-I472 HydrophobicContact CG2-CG2 4.08Å; I450-I472 HydrophobicContact CD1-CD1 3.78Å; I450-I472 HydrophobicContact CG1-CD1 3.77Å; L470-I472 HydrophobicContact CD2-CD1 4.23Å; L470-I472 HydrophobicContact CD2-CG1 4.19Å; L470-I472 HydrophobicContact CG-CG1 3.96Å; I472-I496 HydrophobicContact CD1-CG2 3.61Å; I472-I496 HydrophobicContact CG1-CG2 4.02Å; I472-F497 PolarHBondContact N-O 3.04Å; I472-V499 PolarHBondContact O-N 3.1Å; I472-M512 HydrophobicContact CD1-CB 4.31Å; I472-M512 HydrophobicContact CD1-SD 4.04Å
473V98.3Very high93.3Very high0 Ų048.4 Ų48.40%024%0.243CC..EExtended strand (participates in β ladder)trans-126.5119.7176-169.20000108.9L371 D373 M386 F389 V471 V499L371-V473 PolarHBondContact O-N 3.42Å; D373-V473 WeakPolarHBondContact CB-O 3.44Å; D373-V473 PolarHBondContact N-O 3.38Å; M386-V473 HydrophobicContact CE-CG1 4.01Å; M386-V473 HydrophobicContact CG-CG1 4.04Å; M386-V473 HydrophobicContact SD-CG1 4.02Å; F389-V473 HydrophobicContact CD1-CG2 3.88Å; F389-V473 HydrophobicContact CE1-CG2 3.62Å; V471-V473 HydrophobicContact CG1-CG2 4.34Å; V473-V499 WeakPolarHBondContact CA-O 3.21Å; V473-V499 HydrophobicContact CG2-CB 4.38Å
474T97.3Very high94Very high3 Ų341 Ų412%0.01822%0.219CC..EExtended strand (participates in β ladder)trans-145.1153.5-176.3-1790000112.2D373 G476 V499 G500 V501 L509D373-T474 WeakPolarHBondContact OD2-CA 3.47Å; D373-T474 WeakPolarHBondContact OD2-CB 3.31Å; D373-T474 PolarHBondContact OD2-OG1 3.37Å; T474-G476 PolarHBondContact OG1-O 2.97Å; T474-V499 PolarHBondContact N-O 3.47Å; T474-G500 CarbonylContact O-C 3.45Å; T474-G500 WeakPolarHBondContact O-CA 3.4Å; T474-V501 PolarHBondContact O-N 3.16Å; T474-L509 HydrophobicContact CG2-CD2 4.04Å
475D92.4Very high94.7Very high5 Ų540.4 Ų40.43%0.02721%0.214CC..SBendtrans-109.3-0.4179.588-39.3000114.9D373 S377 V378 M386 V501 W503 A504 F527D373-D475 PolarHBondContact OD2-N 2.84Å; S377-D475 WeakPolarHBondContact CB-OD2 3.43Å; S377-D475 PolarHBondContact OG-OD1 3.26Å; S377-D475 PolarHBondContact OG-OD2 3.08Å; V378-D475 WeakPolarHBondContact CA-OD2 3.29Å; V378-D475 HydrophobicContact CG2-CB 4.04Å; V378-D475 VanDerWaalsContact CG2-CG 3.48Å; V378-D475 WeakPolarHBondContact CG2-OD1 3.32Å; V378-D475 PolarHBondContact N-OD2 3.28Å; V378-D475 VanDerWaalsContact N-OD2 3.16Å; M386-D475 HydrophobicContact CE-CB 4.11Å; D475-V501 CarbonylContact C-O 3.57Å; D475-V501 VanDerWaalsContact CA-O 3.28Å; D475-V501 WeakPolarHBondContact CA-O 3.27Å; D475-V501 HydrophobicContact CB-CB 4.5Å; D475-V501 VanDerWaalsContact O-O 3.09Å; D475-W503 CarbonylContact O-C 3.56Å; D475-W503 PolarHBondContact O-N 3.12Å; D475-A504 PolarHBondContact O-N 3.41Å; D475-F527 HydrophobicContact CB-CE1 4.37Å; D475-F527 HydrophobicContact CB-CE2 4.48Å; D475-F527 HydrophobicContact CB-CZ 3.65Å
476G84.6Confident95.5Very high14 Ų1436 Ų3614%0.14419%0.185CC..SBendtrans-151.2177.6-169.100000114.6T474T474-G476 PolarHBondContact OG1-O 2.97Å
477Q90.8Very high96Very high131 Ų13137.2 Ų37.261%0.61220%0.198SC*.  trans-75.2141.1175.2-178170.121.500110.5P505Q477-P505 HydrophobicContact CB-CG 3.71Å; Q477-P505 HydrophobicContact CG-CG 4.05Å
478S93.4Very high96.2Very high15 Ų1536.7 Ų36.711%0.10521%0.206CC..  trans-74.3144.8173.8-151.80000112T444 T446 D480T444-S478 CarbonylContact O-C 3.01Å; T444-S478 WeakPolarHBondContact O-CA 3.45Å; T444-S478 PolarHBondContact O-OG 2.72Å; T446-S478 WeakPolarHBondContact CB-OG 3.49Å; T446-S478 PolarHBondContact N-OG 3.33Å; T446-S478 PolarHBondContact OG1-OG 2.96Å; S478-D480 VanDerWaalsContact C-N 3.31Å; S478-D480 PolarHBondContact OG-OD1 3.34Å
479Y94.1Very high96.3Very high170 Ų17035.7 Ų35.767%0.66720%0.201SC*.SBendtrans-82.8-8.4173.5-68.2-73.1000113.6Y413 T444Y413-Y479 HydrophobicContact CE1-CD2 4.04Å; T444-Y479 WeakPolarHBondContact O-CD2 3.42Å; T444-Y479 PolarHBondContact O-N 2.83Å
480D96.2Very high96.2Very high45 Ų4538.4 Ų38.424%0.24121%0.213CC..SBendtrans-125.8171.8-177.664.8-8.9000112.1T446 G447 D448 S478 V482T446-D480 PolarHBondContact N-OD1 3.08Å; G447-D480 WeakPolarHBondContact CA-OD2 3.45Å; G447-D480 PolarHBondContact N-OD1 2.89Å; G447-D480 PolarHBondContact N-OD2 2.99Å; D448-D480 PolarHBondContact N-OD2 3.4Å; S478-D480 VanDerWaalsContact C-N 3.31Å; S478-D480 PolarHBondContact OG-OD1 3.34Å; D480-V482 PolarHBondContact O-N 3.28Å
481D96.5Very high96.1Very high94 Ų9445.3 Ų45.350%0.50325%0.25SS..  trans-69.7127.2176.7173.652.3000111.3G447 Q483 G484 P485G447-D481 VanDerWaalsContact CA-O 3.28Å; G447-D481 WeakPolarHBondContact CA-O 3.44Å; D481-Q483 PolarHBondContact OD1-N 3.23Å; D481-Q483 VanDerWaalsContact OD1-N 3.08Å; D481-G484 PolarHBondContact OD2-N 3.05Å; D481-P485 WeakPolarHBondContact O-CD 3.37Å; D481-P485 WeakPolarHBondContact O-CG 3.35Å
482V96.9Very high95.9Very high9 Ų947.7 Ų47.76%0.05527%0.27CS..  trans-99-20.2176.3-59.60000113.1D480 A486 D511 M512D480-V482 PolarHBondContact O-N 3.28Å; V482-A486 WeakPolarHBondContact O-CB 3.48Å; V482-A486 PolarHBondContact O-N 2.94Å; V482-A486 VanDerWaalsContact O-N 3.08Å; V482-D511 HydrophobicContact CG2-CB 4.31Å; V482-M512 HydrophobicContact CB-CG 3.65Å; V482-M512 HydrophobicContact CB-SD 4.03Å; V482-M512 HydrophobicContact CG1-CG 4.33Å; V482-M512 HydrophobicContact CG1-SD 4.05Å; V482-M512 HydrophobicContact CG2-CG 3.85Å
483Q97.3Very high95.7Very high107 Ų10749.6 Ų49.650%0.529%0.29SS..Hα-helixtrans-71.3-48.8-172.3-69.5-178.48.500112D481 A486 A487 D511D481-Q483 PolarHBondContact OD1-N 3.23Å; D481-Q483 VanDerWaalsContact OD1-N 3.08Å; Q483-A486 PolarHBondContact O-N 3.46Å; Q483-A487 WeakPolarHBondContact O-CB 3.14Å; Q483-A487 PolarHBondContact O-N 2.98Å; Q483-D511 HydrophobicContact CG-CB 3.9Å; Q483-D511 PolarHBondContact NE2-OD2 3.3Å
484G98Very high95.7Very high39 Ų3949.8 Ų49.840%0.40229%0.291SS..Hα-helixtrans-60-52.6179.200000112.6D481 A486 A487 A488D481-G484 PolarHBondContact OD2-N 3.05Å; G484-A486 PolarHBondContact O-N 3.25Å; G484-A487 PolarHBondContact O-N 3.18Å; G484-A488 PolarHBondContact O-N 2.9Å
485P98.5Very high95.8Very high17 Ų1750.5 Ų50.511%0.1130%0.295CS..Hα-helixtrans-58.2-42.1175.3-30.639.3000114.1G447 I450 S451 D481 A488 A489G447-P485 WeakPolarHBondContact O-CB 3.43Å; G447-P485 WeakPolarHBondContact O-CG 3.34Å; I450-P485 HydrophobicContact CB-CB 3.93Å; I450-P485 HydrophobicContact CG2-CB 3.93Å; I450-P485 WeakPolarHBondContact CG2-O 3.44Å; S451-P485 WeakPolarHBondContact OG-CB 3.32Å; D481-P485 WeakPolarHBondContact O-CD 3.37Å; D481-P485 WeakPolarHBondContact O-CG 3.35Å; P485-A488 PolarHBondContact O-N 2.98Å; P485-A489 PolarHBondContact O-N 3.1Å
486A98.4Very high96.1Very high0 Ų050.3 Ų50.30%029%0.294CS..Hα-helixtrans-65.1-4417800000112.1I450 V482 Q483 G484 A488 A489 H490 I496 M512I450-A486 HydrophobicContact CD1-CB 4.47Å; V482-A486 WeakPolarHBondContact O-CB 3.48Å; V482-A486 PolarHBondContact O-N 2.94Å; V482-A486 VanDerWaalsContact O-N 3.08Å; Q483-A486 PolarHBondContact O-N 3.46Å; G484-A486 PolarHBondContact O-N 3.25Å; A486-A488 VanDerWaalsContact C-N 3.34Å; A486-A488 PolarHBondContact O-N 3.17Å; A486-A489 WeakPolarHBondContact O-CB 3.44Å; A486-A489 PolarHBondContact O-N 3.07Å; A486-A489 VanDerWaalsContact O-N 3.16Å; A486-H490 PolarHBondContact O-CD2 2.79Å; A486-H490 VanDerWaalsContact O-CD2 3.3Å; A486-H490 PolarHBondContact O-CE1 3.14Å; A486-H490 PolarHBondContact O-N 2.9Å; A486-H490 PolarHBondContact O-ND1 2.85Å; A486-H490 PolarHBondContact O-NE2 3.09Å; A486-I496 HydrophobicContact CB-CD1 4.33Å; A486-M512 HydrophobicContact CB-CB 4.45Å
487A98.3Very high96.7Very high46 Ų4649.6 Ų49.638%0.3829%0.287SS..Hα-helixtrans-59.7-44.7175.600000111.6Q483 G484 A489 H490 D491Q483-A487 WeakPolarHBondContact O-CB 3.14Å; Q483-A487 PolarHBondContact O-N 2.98Å; G484-A487 PolarHBondContact O-N 3.18Å; A487-A489 VanDerWaalsContact C-N 3.29Å; A487-A489 PolarHBondContact O-N 2.9Å; A487-H490 WeakPolarHBondContact O-CB 3.42Å; A487-H490 PolarHBondContact O-N 2.85Å; A487-H490 VanDerWaalsContact O-N 3.15Å; A487-D491 PolarHBondContact O-N 3.49Å
488A97.9Very high97.1Very high55 Ų5543.4 Ų43.446%0.45526%0.258SS..Hα-helixtrans-62.3-35.3176.400000112.7G484 P485 A486 A492G484-A488 PolarHBondContact O-N 2.9Å; P485-A488 PolarHBondContact O-N 2.98Å; A486-A488 VanDerWaalsContact C-N 3.34Å; A486-A488 PolarHBondContact O-N 3.17Å; A488-A492 PolarHBondContact O-N 3.46Å; A488-A492 VanDerWaalsContact O-N 3.12Å
489A98.2Very high97.3Very high0 Ų042.7 Ų42.70%025%0.253CS..Hα-helixtrans-67.6-41.7173.400000112I450 V454 P485 A486 A487 D491 A492 G493 I494 I496I450-A489 HydrophobicContact CG2-CB 4.04Å; V454-A489 HydrophobicContact CG2-CB 3.56Å; P485-A489 PolarHBondContact O-N 3.1Å; A486-A489 WeakPolarHBondContact O-CB 3.44Å; A486-A489 PolarHBondContact O-N 3.07Å; A486-A489 VanDerWaalsContact O-N 3.16Å; A487-A489 VanDerWaalsContact C-N 3.29Å; A487-A489 PolarHBondContact O-N 2.9Å; A489-D491 VanDerWaalsContact C-N 3.35Å; A489-A492 WeakPolarHBondContact O-CB 3.39Å; A489-A492 PolarHBondContact O-N 3.27Å; A489-G493 PolarHBondContact O-N 3.47Å; A489-I494 HydrophobicContact CB-CD1 4.49Å; A489-I494 WeakPolarHBondContact O-CB 3.4Å; A489-I494 PolarHBondContact O-N 2.97Å; A489-I494 VanDerWaalsContact O-N 3.11Å; A489-I496 HydrophobicContact CB-CD1 3.78Å
490H96.9Very high97.5Very high56 Ų5634.6 Ų34.626%0.25922%0.221SC..Hα-helixtrans-61.6-43.7175.5-56.8153.2000111.2A486 A487 A492 G493 M512 S514A486-H490 PolarHBondContact O-CD2 2.79Å; A486-H490 VanDerWaalsContact O-CD2 3.3Å; A486-H490 PolarHBondContact O-CE1 3.14Å; A486-H490 PolarHBondContact O-N 2.9Å; A486-H490 PolarHBondContact O-ND1 2.85Å; A486-H490 PolarHBondContact O-NE2 3.09Å; A487-H490 WeakPolarHBondContact O-CB 3.42Å; A487-H490 PolarHBondContact O-N 2.85Å; A487-H490 VanDerWaalsContact O-N 3.15Å; H490-A492 PolarHBondContact O-N 2.88Å; H490-G493 WeakPolarHBondContact O-CA 3.34Å; H490-G493 PolarHBondContact O-N 3.02Å; H490-M512 PolarHBondContact CE1-O 2.89Å; H490-M512 PolarHBondContact NE2-O 2.96Å; H490-S514 PolarHBondContact CD2-OG 3.31Å; H490-S514 PolarHBondContact NE2-OG 3.36Å
491D95.7Very high97.5Very high145 Ų14532.4 Ų32.478%0.77521%0.21SC*.Hα-helixtrans-63.4-28.7176.4-71.7-17.9000112.3A487 A489 G493A487-D491 PolarHBondContact O-N 3.49Å; A489-D491 VanDerWaalsContact C-N 3.35Å; D491-G493 PolarHBondContact O-N 3.28Å
492A95.7Very high97.4Very high51 Ų5129 Ų2942%0.42119%0.194SC..THydrogen-bonded Turntrans-77.65.9171.700000113.8V454 A488 A489 H490 I494V454-A492 HydrophobicContact CG1-CB 4.42Å; A488-A492 PolarHBondContact O-N 3.46Å; A488-A492 VanDerWaalsContact O-N 3.12Å; A489-A492 WeakPolarHBondContact O-CB 3.39Å; A489-A492 PolarHBondContact O-N 3.27Å; H490-A492 PolarHBondContact O-N 2.88Å; A492-I494 HydrophobicContact CB-CD1 4.15Å; A492-I494 HydrophobicContact CB-CG1 4.46Å
493G95.1Very high97Very high40 Ų4039.3 Ų39.341%0.41223%0.233SC..THydrogen-bonded Turntrans77.118.3178.400000114.4A489 H490 D491A489-G493 PolarHBondContact O-N 3.47Å; H490-G493 WeakPolarHBondContact O-CA 3.34Å; H490-G493 PolarHBondContact O-N 3.02Å; D491-G493 PolarHBondContact O-N 3.28Å
494I98Very high96.8Very high4 Ų434.4 Ų34.42%0.02121%0.21CC..PPolyproline II helixtrans-93.4125.6179.2-57.4161.2000109V454 F458 N468 L470 A489 A492V454-I494 HydrophobicContact CB-CD1 4.45Å; V454-I494 HydrophobicContact CG1-CD1 4.27Å; V454-I494 HydrophobicContact CG2-CD1 3.86Å; F458-I494 HydrophobicContact CB-CD1 3.96Å; F458-I494 HydrophobicContact CD1-CD1 4.37Å; F458-I494 HydrophobicContact CD1-CG1 4.4Å; F458-I494 HydrophobicContact CD2-CD1 3.61Å; F458-I494 HydrophobicContact CD2-CG1 4.35Å; F458-I494 HydrophobicContact CE2-CD1 4.15Å; F458-I494 HydrophobicContact CE2-CG2 4.14Å; F458-I494 HydrophobicContact CG-CD1 3.72Å; F458-I494 HydrophobicContact CG-CG1 4.24Å; F458-I494 HydrophobicContact CZ-CG2 4.15Å; N468-I494 HydrophobicContact CB-CG1 4.05Å; L470-I494 HydrophobicContact CB-CG2 3.71Å; A489-I494 HydrophobicContact CB-CD1 4.49Å; A489-I494 WeakPolarHBondContact O-CB 3.4Å; A489-I494 PolarHBondContact O-N 2.97Å; A489-I494 VanDerWaalsContact O-N 3.11Å; A492-I494 HydrophobicContact CB-CD1 4.15Å; A492-I494 HydrophobicContact CB-CG1 4.46Å
495T98.3Very high96.6Very high18 Ų1834.3 Ų34.311%0.1120%0.203CC..EExtended strand (participates in β ladder)trans-89.9121.9175.1-54.80000109.8N468 F469 L470 F497 S514N468-T495 PolarHBondContact O-N 3.41Å; F469-T495 CarbonylContact C-O 3.52Å; F469-T495 VanDerWaalsContact CA-O 3.29Å; F469-T495 WeakPolarHBondContact CA-O 3.28Å; F469-T495 HydrophobicContact CD1-CG2 3.97Å; F469-T495 HydrophobicContact CE1-CG2 3.95Å; L470-T495 PolarHBondContact N-O 3.43Å; T495-F497 HydrophobicContact CG2-CE2 4.02Å; T495-S514 WeakPolarHBondContact CA-OG 3.45Å
496I98.7Very high96.3Very high0 Ų037.2 Ų37.20%022%0.217CC..EExtended strand (participates in β ladder)trans-100.5127.5-175.4-56.4-171.9000110.7L470 I472 A486 A489 M512 S514L470-I496 HydrophobicContact CB-CG1 4.22Å; L470-I496 HydrophobicContact CD2-CD1 4.11Å; L470-I496 HydrophobicContact CD2-CG1 4.25Å; L470-I496 CarbonylContact O-C 3.52Å; L470-I496 WeakPolarHBondContact O-CA 3.37Å; I472-I496 HydrophobicContact CD1-CG2 3.61Å; I472-I496 HydrophobicContact CG1-CG2 4.02Å; A486-I496 HydrophobicContact CB-CD1 4.33Å; A489-I496 HydrophobicContact CB-CD1 3.78Å; I496-M512 WeakPolarHBondContact CB-O 3.35Å; I496-M512 WeakPolarHBondContact CG2-O 3.5Å; I496-S514 PolarHBondContact N-OG 3.4Å; I496-S514 PolarHBondContact O-N 3.26Å
497F98.8Very high96.1Very high0 Ų042.5 Ų42.50%025%0.245CC..EExtended strand (participates in β ladder)trans-107.5125.1163.6-69.6-89.1000108.8F469 L470 V471 I472 T495 H520 F522 V537 I541F469-F497 HydrophobicContact CD1-CD2 4.33Å; F469-F497 AromaticContact CD1-CE2 3.75Å; F469-F497 HydrophobicContact CD1-CE2 3.75Å; F469-F497 HydrophobicContact CE1-CE2 4.12Å; L470-F497 PolarHBondContact O-N 3.44Å; V471-F497 CarbonylContact C-O 3.59Å; V471-F497 WeakPolarHBondContact CA-O 3.4Å; V471-F497 HydrophobicContact CG2-CB 4.35Å; I472-F497 PolarHBondContact N-O 3.04Å; T495-F497 HydrophobicContact CG2-CE2 4.02Å; F497-H520 CarbonylContact C-O 3.6Å; F497-H520 WeakPolarHBondContact CA-O 3.39Å; F497-H520 HydrophobicContact CD1-CB 4.3Å; F497-H520 AromaticContact CD1-CD2 3.47Å; F497-H520 VanDerWaalsContact CD1-CD2 3.47Å; F497-H520 WeakPolarHBondContact CD1-CD2 3.42Å; F497-H520 AromaticContact CE1-CD2 3.11Å; F497-H520 WeakPolarHBondContact CE1-CD2 3.38Å; F497-H520 AromaticContact CE1-CG 3.9Å; F497-H520 AromaticContact CE1-NE2 3.46Å; F497-H520 WeakPolarHBondContact CE1-NE2 3.27Å; F497-H520 AromaticContact CE2-CD2 3.74Å; F497-H520 AromaticContact CE2-NE2 3.89Å; F497-H520 AromaticContact CG-CD2 3.96Å; F497-H520 AromaticContact CZ-CD2 3.24Å; F497-H520 WeakPolarHBondContact CZ-CD2 3.46Å; F497-H520 AromaticContact CZ-NE2 3.22Å; F497-H520 WeakPolarHBondContact CZ-NE2 3.35Å; F497-F522 AromaticContact CD1-CE2 3.86Å; F497-F522 HydrophobicContact CD1-CE2 3.86Å; F497-V537 HydrophobicContact CG-CG1 4.46Å; F497-I541 HydrophobicContact CD2-CG1 3.95Å; F497-I541 HydrophobicContact CE2-CB 4.43Å; F497-I541 HydrophobicContact CE2-CG1 3.53Å; F497-I541 HydrophobicContact CZ-CG1 4.06Å
498S98.3Very high95.8Very high0 Ų041.9 Ų41.90%024%0.235CC..EExtended strand (participates in β ladder)trans-110.8127.6178.362.60000110.4L509 H520 A521 F522S498-L509 PolarHBondContact OG-O 2.93Å; S498-H520 PolarHBondContact N-O 3.16Å; S498-A521 CarbonylContact O-C 3.55Å; S498-A521 WeakPolarHBondContact O-CA 3.46Å; S498-A521 WeakPolarHBondContact OG-CA 3.2Å; S498-F522 PolarHBondContact O-N 3.41Å
499V98.6Very high95.8Very high0 Ų039.3 Ų39.30%021%0.214CC..EExtended strand (participates in β ladder)trans-121108-179.1-175.30000108.3F389 V471 I472 V473 T474 F522 L530 I533 V537F389-V499 HydrophobicContact CE1-CG2 4.26Å; F389-V499 HydrophobicContact CZ-CB 4.47Å; F389-V499 HydrophobicContact CZ-CG1 4.19Å; F389-V499 HydrophobicContact CZ-CG2 3.91Å; V471-V499 HydrophobicContact CG1-CG2 4.48Å; I472-V499 PolarHBondContact O-N 3.1Å; V473-V499 WeakPolarHBondContact CA-O 3.21Å; V473-V499 HydrophobicContact CG2-CB 4.38Å; T474-V499 PolarHBondContact N-O 3.47Å; V499-F522 WeakPolarHBondContact CA-O 3.01Å; V499-F522 HydrophobicContact CG1-CB 4.5Å; V499-F522 HydrophobicContact CG2-CB 4.4Å; V499-F522 HydrophobicContact CG2-CD2 4.13Å; V499-L530 HydrophobicContact CG1-CD2 3.55Å; V499-I533 HydrophobicContact CG1-CD1 4.3Å; V499-I533 HydrophobicContact CG1-CG2 4.2Å; V499-I533 HydrophobicContact CG2-CG2 4.35Å; V499-V537 HydrophobicContact CG2-CG2 4.18Å
500G97.2Very high95.7Very high0 Ų042.5 Ų42.50%023%0.228CC..EExtended strand (participates in β ladder)trans-95.9144.3175.800000112.3T474 F522 F523 T524T474-G500 CarbonylContact O-C 3.45Å; T474-G500 WeakPolarHBondContact O-CA 3.4Å; G500-F522 PolarHBondContact N-O 2.6Å; G500-F523 WeakPolarHBondContact O-CA 3.29Å; G500-T524 PolarHBondContact O-N 2.66Å
501V96.5Very high95.7Very high0 Ų042.7 Ų42.70%023%0.231CC..EExtended strand (participates in β ladder)trans-125.4153.3175.6-172.30000109.8T474 D475 W503 A504 T524 F527 L530T474-V501 PolarHBondContact O-N 3.16Å; D475-V501 CarbonylContact C-O 3.57Å; D475-V501 VanDerWaalsContact CA-O 3.28Å; D475-V501 WeakPolarHBondContact CA-O 3.27Å; D475-V501 HydrophobicContact CB-CB 4.5Å; D475-V501 VanDerWaalsContact O-O 3.09Å; V501-W503 PolarHBondContact O-N 2.66Å; V501-A504 WeakPolarHBondContact O-CB 3.37Å; V501-A504 PolarHBondContact O-N 3.3Å; V501-A504 VanDerWaalsContact O-N 3.1Å; V501-T524 CarbonylContact C-O 3.52Å; V501-T524 VanDerWaalsContact CA-O 3.28Å; V501-T524 WeakPolarHBondContact CA-O 3.41Å; V501-T524 HydrophobicContact CB-CG2 4.36Å; V501-T524 HydrophobicContact CG1-CG2 4.14Å; V501-T524 HydrophobicContact CG2-CG2 3.94Å; V501-F527 HydrophobicContact CB-CD1 4.39Å; V501-F527 HydrophobicContact CB-CE1 4.22Å; V501-F527 HydrophobicContact CB-CZ 4.34Å; V501-F527 HydrophobicContact CG1-CB 4.25Å; V501-F527 HydrophobicContact CG1-CD1 3.75Å; V501-F527 HydrophobicContact CG1-CD2 3.64Å; V501-F527 HydrophobicContact CG1-CE1 3.93Å; V501-F527 HydrophobicContact CG1-CE2 3.81Å; V501-F527 HydrophobicContact CG1-CG 3.61Å; V501-F527 HydrophobicContact CG1-CZ 3.96Å; V501-F527 HydrophobicContact CG2-CD1 4.48Å; V501-L530 HydrophobicContact CG2-CD1 4.12Å; V501-L530 HydrophobicContact CG2-CD2 3.58Å; V501-L530 HydrophobicContact CG2-CG 3.93Å
502A93.5Very high95.8Very high22 Ų2236 Ų3618%0.18220%0.195CC..THydrogen-bonded Turntrans56.7-97.9171.800000113.7F523 T524 R525 F527A502-F523 VanDerWaalsContact O-CZ 3.31Å; A502-F523 WeakPolarHBondContact O-CZ 3.32Å; A502-T524 PolarHBondContact N-O 2.88Å; A502-R525 WeakPolarHBondContact CA-O 3.33Å; A502-F527 HydrophobicContact CB-CE2 4.33Å
503W89.4Confident95.9Very high226 Ų22633.5 Ų33.586%0.85618%0.175SC*.THydrogen-bonded Turntrans-105.46.1-172.3-50.3100.2000113.1D475 V501 P505D475-W503 CarbonylContact O-C 3.56Å; D475-W503 PolarHBondContact O-N 3.12Å; V501-W503 PolarHBondContact O-N 2.66Å; W503-P505 WeakPolarHBondContact O-CD 3.34Å
504A93.6Very high96Very high4 Ų432.2 Ų32.23%0.03316%0.159CC..  trans-56.9122.4177.400000111.7D475 V501 L506 L509 F523D475-A504 PolarHBondContact O-N 3.41Å; V501-A504 WeakPolarHBondContact O-CB 3.37Å; V501-A504 PolarHBondContact O-N 3.3Å; V501-A504 VanDerWaalsContact O-N 3.1Å; A504-L506 PolarHBondContact O-N 3.19Å; A504-L509 HydrophobicContact CB-CD1 4.35Å; A504-F523 WeakPolarHBondContact O-CE2 3.47Å
505P93.4Very high95.9Very high37 Ų3740.4 Ų40.424%0.2419%0.194CC..  trans-65.9124.5179.5-20.332.3000111.6Q477 W503 D507 D508 L509Q477-P505 HydrophobicContact CB-CG 3.71Å; Q477-P505 HydrophobicContact CG-CG 4.05Å; W503-P505 WeakPolarHBondContact O-CD 3.34Å; P505-D507 PolarHBondContact O-N 3Å; P505-D508 HydrophobicContact CB-CB 4.14Å; P505-D508 PolarHBondContact O-N 2.93Å; P505-L509 WeakPolarHBondContact O-CG 3.47Å; P505-L509 PolarHBondContact O-N 3.33Å; P505-L509 VanDerWaalsContact O-N 3.16Å
506L92.9Very high95.8Very high77 Ų7742.7 Ų42.740%0.40321%0.209SC..Hα-helixtrans-61.7-32.2-178.4-178.461.4000112.9A504 L509 K510 F523A504-L506 PolarHBondContact O-N 3.19Å; L506-L509 HydrophobicContact CD1-CD1 4.34Å; L506-L509 PolarHBondContact O-N 2.96Å; L506-K510 HydrophobicContact CG-CD 4.48Å; L506-K510 WeakPolarHBondContact O-CG 3.46Å; L506-K510 PolarHBondContact O-N 3.37Å; L506-F523 HydrophobicContact CD1-CB 4.2Å
507D92.9Very high95.6Very high111 Ų11145 Ų4559%0.59422%0.22SC*.Hα-helixtrans-70.2-41.3179.1-67-29.2000111.2P505 L509 K510 D511P505-D507 PolarHBondContact O-N 3Å; D507-L509 VanDerWaalsContact C-N 3.32Å; D507-L509 PolarHBondContact O-N 2.78Å; D507-K510 CarbonylContact O-C 3.58Å; D507-K510 WeakPolarHBondContact O-CB 3.21Å; D507-K510 PolarHBondContact O-N 3.48Å; D507-K510 VanDerWaalsContact O-N 3.14Å; D507-D511 WeakPolarHBondContact O-CB 3.35Å; D507-D511 PolarHBondContact O-N 2.85Å
508D93.3Very high95.2Very high33 Ų3352.2 Ų52.218%0.17625%0.253CS..Hα-helixtrans-60.1-42.6173.2-65.610.9000111.5P505 K510 D511 M512P505-D508 HydrophobicContact CB-CB 4.14Å; P505-D508 PolarHBondContact O-N 2.93Å; D508-K510 VanDerWaalsContact C-N 3.34Å; D508-K510 PolarHBondContact O-N 3.22Å; D508-D511 PolarHBondContact O-N 2.87Å; D508-M512 WeakPolarHBondContact O-CE 3.3Å; D508-M512 WeakPolarHBondContact O-CG 3.24Å; D508-M512 PolarHBondContact O-N 2.78Å
509L96.9Very high94.9Very high2 Ų253.4 Ų53.41%0.0126%0.262CS..Hα-helixtrans-58.8-47.9175-62171.3000110.6T474 S498 A504 P505 L506 D507 D511 M512 A513 A521 F523T474-L509 HydrophobicContact CG2-CD2 4.04Å; S498-L509 PolarHBondContact OG-O 2.93Å; A504-L509 HydrophobicContact CB-CD1 4.35Å; P505-L509 WeakPolarHBondContact O-CG 3.47Å; P505-L509 PolarHBondContact O-N 3.33Å; P505-L509 VanDerWaalsContact O-N 3.16Å; L506-L509 HydrophobicContact CD1-CD1 4.34Å; L506-L509 PolarHBondContact O-N 2.96Å; D507-L509 VanDerWaalsContact C-N 3.32Å; D507-L509 PolarHBondContact O-N 2.78Å; L509-D511 VanDerWaalsContact C-N 3.3Å; L509-D511 PolarHBondContact O-N 3.21Å; L509-M512 HydrophobicContact CD2-CE 3.99Å; L509-M512 PolarHBondContact O-N 2.53Å; L509-A513 WeakPolarHBondContact O-CB 3.4Å; L509-A513 PolarHBondContact O-N 2.96Å; L509-A521 HydrophobicContact CB-CB 4.19Å; L509-F523 HydrophobicContact CD1-CB 4.39Å; L509-F523 HydrophobicContact CD1-CD2 4.25Å
510K97Very high94.9Very high67 Ų6753.4 Ų53.429%0.29126%0.262SS..Hα-helixtrans-63.2-37.1176.6-73.7174.4179.8172.70111.7L506 D507 D508 M512 A513 K517 A521L506-K510 HydrophobicContact CG-CD 4.48Å; L506-K510 WeakPolarHBondContact O-CG 3.46Å; L506-K510 PolarHBondContact O-N 3.37Å; D507-K510 CarbonylContact O-C 3.58Å; D507-K510 WeakPolarHBondContact O-CB 3.21Å; D507-K510 PolarHBondContact O-N 3.48Å; D507-K510 VanDerWaalsContact O-N 3.14Å; D508-K510 VanDerWaalsContact C-N 3.34Å; D508-K510 PolarHBondContact O-N 3.22Å; K510-M512 VanDerWaalsContact C-N 3.31Å; K510-M512 PolarHBondContact O-N 3.3Å; K510-A513 PolarHBondContact O-N 2.8Å; K510-K517 HydrophobicContact CB-CB 4.4Å; K510-K517 HydrophobicContact CG-CB 4.25Å; K510-K517 WeakPolarHBondContact O-CD 3.43Å; K510-K517 WeakPolarHBondContact O-CE 3.28Å; K510-K517 PolarHBondContact O-NZ 3.05Å; K510-A521 HydrophobicContact CG-CB 3.92Å
511D95.9Very high94.9Very high59 Ų5954 Ų5432%0.31627%0.266SS..Hα-helixtrans-62.7-41.1178.6-79.4-11.3000111.4V482 Q483 D507 D508 L509 K517V482-D511 HydrophobicContact CG2-CB 4.31Å; Q483-D511 HydrophobicContact CG-CB 3.9Å; Q483-D511 PolarHBondContact NE2-OD2 3.3Å; D507-D511 WeakPolarHBondContact O-CB 3.35Å; D507-D511 PolarHBondContact O-N 2.85Å; D508-D511 PolarHBondContact O-N 2.87Å; L509-D511 VanDerWaalsContact C-N 3.3Å; L509-D511 PolarHBondContact O-N 3.21Å; D511-K517 PolarHBondContact O-NZ 3.3Å
512M97.4Very high95Very high4 Ų455.3 Ų55.32%0.0227%0.272CS..Hα-helixtrans-71.7-41.7176.3-66.7-177.2-72.100114.4T446 I450 I472 V482 A486 H490 I496 D508 L509 K510T446-M512 HydrophobicContact CG2-CE 4.37Å; T446-M512 HydrophobicContact CG2-SD 3.42Å; T446-M512 WeakPolarHBondContact CG2-SD 3.15Å; I450-M512 HydrophobicContact CD1-CG 4.01Å; I450-M512 HydrophobicContact CD1-SD 3.91Å; I472-M512 HydrophobicContact CD1-CB 4.31Å; I472-M512 HydrophobicContact CD1-SD 4.04Å; V482-M512 HydrophobicContact CB-CG 3.65Å; V482-M512 HydrophobicContact CB-SD 4.03Å; V482-M512 HydrophobicContact CG1-CG 4.33Å; V482-M512 HydrophobicContact CG1-SD 4.05Å; V482-M512 HydrophobicContact CG2-CG 3.85Å; A486-M512 HydrophobicContact CB-CB 4.45Å; H490-M512 PolarHBondContact CE1-O 2.89Å; H490-M512 PolarHBondContact NE2-O 2.96Å; I496-M512 WeakPolarHBondContact CB-O 3.35Å; I496-M512 WeakPolarHBondContact CG2-O 3.5Å; D508-M512 WeakPolarHBondContact O-CE 3.3Å; D508-M512 WeakPolarHBondContact O-CG 3.24Å; D508-M512 PolarHBondContact O-N 2.78Å; L509-M512 HydrophobicContact CD2-CE 3.99Å; L509-M512 PolarHBondContact O-N 2.53Å; K510-M512 VanDerWaalsContact C-N 3.31Å; K510-M512 PolarHBondContact O-N 3.3Å
513A98.1Very high95.1Very high0 Ų058.3 Ų58.30%028%0.281CS..SBendtrans-60.1152.7-172.600000113.8L509 K510 K517 H520 A521L509-A513 WeakPolarHBondContact O-CB 3.4Å; L509-A513 PolarHBondContact O-N 2.96Å; K510-A513 PolarHBondContact O-N 2.8Å; A513-K517 HydrophobicContact CB-CD 4.28Å; A513-K517 WeakPolarHBondContact O-CD 3.29Å; A513-K517 WeakPolarHBondContact O-CE 3.39Å; A513-K517 PolarHBondContact O-NZ 2.74Å; A513-H520 HydrophobicContact CB-CB 3.79Å; A513-A521 HydrophobicContact CB-CB 4.07Å
514S98Very high95.5Very high12 Ų1248.6 Ų48.68%0.08425%0.247CC..PPolyproline II helixtrans-76.2165.6169.3-68.60000112.1H490 T495 I496 P516 H520H490-S514 PolarHBondContact CD2-OG 3.31Å; H490-S514 PolarHBondContact NE2-OG 3.36Å; T495-S514 WeakPolarHBondContact CA-OG 3.45Å; I496-S514 PolarHBondContact N-OG 3.4Å; I496-S514 PolarHBondContact O-N 3.26Å; S514-P516 CarbonylContact O-C 3.44Å; S514-H520 VanDerWaalsContact O-CB 3.26Å; S514-H520 WeakPolarHBondContact O-CB 3.33Å; S514-H520 PolarHBondContact O-ND1 2.82Å
515K95.2Very high95.6Very high176 Ų17658.3 Ų58.377%0.76528%0.283SS*.SBendtrans-77.7146.6176.4-69.6-178.3-179.5175.50110.9H520K515-H520 PolarHBondContact O-CE1 3.28Å
516P95.7Very high95.7Very high66 Ų6662.8 Ų62.843%0.42930%0.3SS..SBendcis-75.6137.2-8.428-28.7000110.9S514 E518 S519 H520S514-P516 CarbonylContact O-C 3.44Å; P516-E518 PolarHBondContact O-N 3.01Å; P516-S519 WeakPolarHBondContact CG-OG 3.28Å; P516-S519 PolarHBondContact O-N 3.15Å; P516-S519 VanDerWaalsContact O-N 3.17Å; P516-S519 PolarHBondContact O-OG 3.47Å; P516-H520 PolarHBondContact O-N 3.02Å; P516-H520 PolarHBondContact O-ND1 2.96Å
517K94.4Very high95.8Very high50 Ų5060 Ų6022%0.21729%0.285CS..G310 helixtrans-63.2-32.7-169-57-60.3-160.11580111.5K510 D511 A513 S519 H520 A521K510-K517 HydrophobicContact CB-CB 4.4Å; K510-K517 HydrophobicContact CG-CB 4.25Å; K510-K517 WeakPolarHBondContact O-CD 3.43Å; K510-K517 WeakPolarHBondContact O-CE 3.28Å; K510-K517 PolarHBondContact O-NZ 3.05Å; D511-K517 PolarHBondContact O-NZ 3.3Å; A513-K517 HydrophobicContact CB-CD 4.28Å; A513-K517 WeakPolarHBondContact O-CD 3.29Å; A513-K517 WeakPolarHBondContact O-CE 3.39Å; A513-K517 PolarHBondContact O-NZ 2.74Å; K517-S519 PolarHBondContact O-N 2.91Å; K517-H520 PolarHBondContact O-N 3.17Å; K517-H520 VanDerWaalsContact O-N 3.16Å; K517-A521 WeakPolarHBondContact O-CB 3.34Å; K517-A521 PolarHBondContact O-N 2.84Å
518E90.4Very high95.9Very high150 Ų15059 Ų5970%0.70128%0.283SS*.G310 helixtrans-65.3-21.8-178.3-61.169.7-152.700113.4P516P516-E518 PolarHBondContact O-N 3.01Å
519S93.4Very high96Very high25 Ų2558.2 Ų58.218%0.17528%0.283CS..G310 helixtrans-109.75.3177.372.40000113.8P516 K517 F522 R543P516-S519 WeakPolarHBondContact CG-OG 3.28Å; P516-S519 PolarHBondContact O-N 3.15Å; P516-S519 VanDerWaalsContact O-N 3.17Å; P516-S519 PolarHBondContact O-OG 3.47Å; K517-S519 PolarHBondContact O-N 2.91Å; S519-F522 WeakPolarHBondContact O-CZ 3.41Å; S519-R543 PolarHBondContact OG-NH2 3.28Å; S519-R543 VanDerWaalsContact OG-NH2 3.09Å
520H97.4Very high96Very high0 Ų058.2 Ų58.20%028%0.283CS..THydrogen-bonded Turntrans-126-18.4-176-72.991.8000113F497 S498 A513 S514 K515 P516 K517 R543 D544F497-H520 CarbonylContact C-O 3.6Å; F497-H520 WeakPolarHBondContact CA-O 3.39Å; F497-H520 HydrophobicContact CD1-CB 4.3Å; F497-H520 AromaticContact CD1-CD2 3.47Å; F497-H520 VanDerWaalsContact CD1-CD2 3.47Å; F497-H520 WeakPolarHBondContact CD1-CD2 3.42Å; F497-H520 AromaticContact CE1-CD2 3.11Å; F497-H520 WeakPolarHBondContact CE1-CD2 3.38Å; F497-H520 AromaticContact CE1-CG 3.9Å; F497-H520 AromaticContact CE1-NE2 3.46Å; F497-H520 WeakPolarHBondContact CE1-NE2 3.27Å; F497-H520 AromaticContact CE2-CD2 3.74Å; F497-H520 AromaticContact CE2-NE2 3.89Å; F497-H520 AromaticContact CG-CD2 3.96Å; F497-H520 AromaticContact CZ-CD2 3.24Å; F497-H520 WeakPolarHBondContact CZ-CD2 3.46Å; F497-H520 AromaticContact CZ-NE2 3.22Å; F497-H520 WeakPolarHBondContact CZ-NE2 3.35Å; S498-H520 PolarHBondContact N-O 3.16Å; A513-H520 HydrophobicContact CB-CB 3.79Å; S514-H520 VanDerWaalsContact O-CB 3.26Å; S514-H520 WeakPolarHBondContact O-CB 3.33Å; S514-H520 PolarHBondContact O-ND1 2.82Å; K515-H520 PolarHBondContact O-CE1 3.28Å; P516-H520 PolarHBondContact O-N 3.02Å; P516-H520 PolarHBondContact O-ND1 2.96Å; K517-H520 PolarHBondContact O-N 3.17Å; K517-H520 VanDerWaalsContact O-N 3.16Å; H520-R543 PolarHBondContact CE1-NH2 2.72Å; H520-D544 IonicContact CE1-OD1 2.77Å; H520-D544 IonicContact CE1-OD2 3.63Å; H520-D544 PolarHBondContact CE1-OD2 2.82Å; H520-D544 IonicContact NE2-OD1 3.74Å; H520-D544 IonicContact NE2-OD2 3.65Å; H520-D544 PolarHBondContact NE2-OD2 2.83Å
521A98Very high95.9Very high12 Ų1261.9 Ų61.910%0.09930%0.301CS..EExtended strand (participates in β ladder)trans-105.9121.7170.600000110.4S498 L509 K510 A513 K517S498-A521 CarbonylContact O-C 3.55Å; S498-A521 WeakPolarHBondContact O-CA 3.46Å; S498-A521 WeakPolarHBondContact OG-CA 3.2Å; L509-A521 HydrophobicContact CB-CB 4.19Å; K510-A521 HydrophobicContact CG-CB 3.92Å; A513-A521 HydrophobicContact CB-CB 4.07Å; K517-A521 WeakPolarHBondContact O-CB 3.34Å; K517-A521 PolarHBondContact O-N 2.84Å
522F97.5Very high95.9Very high28 Ų2863 Ų6312%0.12331%0.311CS..EExtended strand (participates in β ladder)trans-119.2146.8178.1-56.3-80.6000110.1F497 S498 V499 G500 S519 I533 D536 V537F497-F522 AromaticContact CD1-CE2 3.86Å; F497-F522 HydrophobicContact CD1-CE2 3.86Å; S498-F522 PolarHBondContact O-N 3.41Å; V499-F522 WeakPolarHBondContact CA-O 3.01Å; V499-F522 HydrophobicContact CG1-CB 4.5Å; V499-F522 HydrophobicContact CG2-CB 4.4Å; V499-F522 HydrophobicContact CG2-CD2 4.13Å; G500-F522 PolarHBondContact N-O 2.6Å; S519-F522 WeakPolarHBondContact O-CZ 3.41Å; F522-I533 HydrophobicContact CB-CD1 4.22Å; F522-I533 HydrophobicContact CB-CG2 3.82Å; F522-I533 HydrophobicContact CD1-CG2 4.26Å; F522-I533 HydrophobicContact CD2-CG2 4.21Å; F522-I533 HydrophobicContact CG-CG2 3.84Å; F522-D536 HydrophobicContact CE1-CB 3.73Å; F522-D536 HydrophobicContact CZ-CB 4.09Å; F522-V537 HydrophobicContact CD2-CG2 3.81Å; F522-V537 HydrophobicContact CE2-CG2 3.55Å; F522-V537 HydrophobicContact CZ-CG2 4.26Å
523F97.1Very high95.9Very high86 Ų8663.4 Ų63.438%0.37731%0.314SS..EExtended strand (participates in β ladder)trans-140.3137.1178.9176.7-94.3000110.8G500 A502 A504 L506 L509 R525G500-F523 WeakPolarHBondContact O-CA 3.29Å; A502-F523 VanDerWaalsContact O-CZ 3.31Å; A502-F523 WeakPolarHBondContact O-CZ 3.32Å; A504-F523 WeakPolarHBondContact O-CE2 3.47Å; L506-F523 HydrophobicContact CD1-CB 4.2Å; L509-F523 HydrophobicContact CD1-CB 4.39Å; L509-F523 HydrophobicContact CD1-CD2 4.25Å; F523-R525 HydrophobicContact CE1-CG 3.94Å; F523-R525 HydrophobicContact CZ-CG 4.49Å
524T96.7Very high95.9Very high21 Ų2164.2 Ų64.213%0.12932%0.318CS..EExtended strand (participates in β ladder)trans-132.7145.5169173.60000110.4G500 V501 A502 E526 G529 L530 I533G500-T524 PolarHBondContact O-N 2.66Å; V501-T524 CarbonylContact C-O 3.52Å; V501-T524 VanDerWaalsContact CA-O 3.28Å; V501-T524 WeakPolarHBondContact CA-O 3.41Å; V501-T524 HydrophobicContact CB-CG2 4.36Å; V501-T524 HydrophobicContact CG1-CG2 4.14Å; V501-T524 HydrophobicContact CG2-CG2 3.94Å; A502-T524 PolarHBondContact N-O 2.88Å; T524-E526 VanDerWaalsContact C-N 3.35Å; T524-E526 VanDerWaalsContact CG2-O 3.29Å; T524-E526 WeakPolarHBondContact CG2-O 3.46Å; T524-E526 PolarHBondContact OG1-N 3.35Å; T524-E526 PolarHBondContact OG1-O 2.82Å; T524-G529 WeakPolarHBondContact OG1-CA 3.44Å; T524-L530 HydrophobicContact CG2-CD2 4.25Å; T524-L530 HydrophobicContact CG2-CG 4.34Å; T524-I533 HydrophobicContact CG2-CD1 3.88Å
525R95.5Very high95.8Very high209 Ų20966.6 Ų66.679%0.78934%0.335SS*.SBendtrans-73.9-27.9178.6-66.5-177.9-179.9171.6-0113.1A502 F523A502-R525 WeakPolarHBondContact CA-O 3.33Å; F523-R525 HydrophobicContact CE1-CG 3.94Å; F523-R525 HydrophobicContact CZ-CG 4.49Å
526E95Very high95.8Very high131 Ų13161 Ų6161%0.61231%0.313SS*.SBendtrans-129.2149.8-177.2-65.4179.8-16600110.1T524 T528 G529T524-E526 VanDerWaalsContact C-N 3.35Å; T524-E526 VanDerWaalsContact CG2-O 3.29Å; T524-E526 WeakPolarHBondContact CG2-O 3.46Å; T524-E526 PolarHBondContact OG1-N 3.35Å; T524-E526 PolarHBondContact OG1-O 2.82Å; E526-T528 PolarHBondContact O-N 3.16Å; E526-T528 PolarHBondContact OE2-OG1 3.29Å; E526-G529 PolarHBondContact O-N 3.21Å
527F95.9Very high96Very high19 Ų1957.9 Ų57.98%0.08329%0.293CS..G310 helixtrans-61.6-30.5179.2-75.4-93.6000113.2V378 N382 L385 M386 D475 V501 A502 G529 L530V378-F527 HydrophobicContact CG1-CE1 4Å; V378-F527 HydrophobicContact CG1-CZ 4.12Å; N382-F527 HydrophobicContact CB-CD1 3.65Å; N382-F527 HydrophobicContact CB-CD2 3.77Å; N382-F527 HydrophobicContact CB-CE1 3.6Å; N382-F527 HydrophobicContact CB-CE2 3.74Å; N382-F527 HydrophobicContact CB-CG 3.73Å; N382-F527 HydrophobicContact CB-CZ 3.65Å; N382-F527 VanDerWaalsContact CG-CD2 3.43Å; N382-F527 WeakPolarHBondContact ND2-CE2 3.48Å; L385-F527 HydrophobicContact CB-CB 4.21Å; L385-F527 HydrophobicContact CD1-CB 3.54Å; M386-F527 HydrophobicContact CE-CD1 4.44Å; M386-F527 HydrophobicContact CE-CE1 3.48Å; M386-F527 VanDerWaalsContact CE-CE1 3.48Å; M386-F527 HydrophobicContact CE-CZ 4.19Å; M386-F527 HydrophobicContact CG-CD1 4.12Å; M386-F527 HydrophobicContact CG-CE1 3.93Å; M386-F527 HydrophobicContact SD-CE1 4.29Å; D475-F527 HydrophobicContact CB-CE1 4.37Å; D475-F527 HydrophobicContact CB-CE2 4.48Å; D475-F527 HydrophobicContact CB-CZ 3.65Å; V501-F527 HydrophobicContact CB-CD1 4.39Å; V501-F527 HydrophobicContact CB-CE1 4.22Å; V501-F527 HydrophobicContact CB-CZ 4.34Å; V501-F527 HydrophobicContact CG1-CB 4.25Å; V501-F527 HydrophobicContact CG1-CD1 3.75Å; V501-F527 HydrophobicContact CG1-CD2 3.64Å; V501-F527 HydrophobicContact CG1-CE1 3.93Å; V501-F527 HydrophobicContact CG1-CE2 3.81Å; V501-F527 HydrophobicContact CG1-CG 3.61Å; V501-F527 HydrophobicContact CG1-CZ 3.96Å; V501-F527 HydrophobicContact CG2-CD1 4.48Å; A502-F527 HydrophobicContact CB-CE2 4.33Å; F527-G529 PolarHBondContact O-N 3.16Å; F527-L530 HydrophobicContact CD1-CD1 4.27Å; F527-L530 VanDerWaalsContact O-CB 3.27Å; F527-L530 WeakPolarHBondContact O-CB 3.49Å; F527-L530 WeakPolarHBondContact O-CG 3.22Å; F527-L530 PolarHBondContact O-N 2.98Å; F527-L530 VanDerWaalsContact O-N 3.12Å
528T94.5Very high96.1Very high88 Ų8856.3 Ų56.354%0.5429%0.287SS..G310 helixtrans-61.5-27.1172.950.40000112.5E526 L530E526-T528 PolarHBondContact O-N 3.16Å; E526-T528 PolarHBondContact OE2-OG1 3.29Å; T528-L530 PolarHBondContact O-N 3.29Å
529G96.1Very high96.3Very high17 Ų1756.3 Ų56.318%0.17528%0.281CS..G310 helixtrans-75.91.217600000114.7T524 E526 F527 E531 P532T524-G529 WeakPolarHBondContact OG1-CA 3.44Å; E526-G529 PolarHBondContact O-N 3.21Å; F527-G529 PolarHBondContact O-N 3.16Å; G529-E531 VanDerWaalsContact C-N 3.32Å; G529-P532 VanDerWaalsContact O-CD 3.3Å; G529-P532 WeakPolarHBondContact O-CD 3.49Å; G529-P532 VanDerWaalsContact O-CG 3.3Å; G529-P532 WeakPolarHBondContact O-CG 3.45Å
530L97.4Very high96.4Very high3 Ų355.2 Ų55.22%0.01627%0.273CS..Hα-helixtrans-67.5-32.1170.6-74.8172.5000112.4M386 F389 V499 V501 T524 F527 T528 I533 V534M386-L530 HydrophobicContact CG-CD1 4.22Å; F389-L530 HydrophobicContact CB-CB 4.04Å; F389-L530 HydrophobicContact CB-CD1 4.09Å; F389-L530 HydrophobicContact CD2-CB 3.79Å; F389-L530 HydrophobicContact CD2-CD2 4.12Å; F389-L530 HydrophobicContact CD2-CG 4.48Å; F389-L530 VanDerWaalsContact CD2-O 3.29Å; F389-L530 WeakPolarHBondContact CD2-O 3.42Å; F389-L530 HydrophobicContact CE2-CD2 4.36Å; F389-L530 HydrophobicContact CG-CB 4.11Å; F389-L530 HydrophobicContact CG-CD1 4.43Å; F389-L530 HydrophobicContact CG-CD2 4.2Å; V499-L530 HydrophobicContact CG1-CD2 3.55Å; V501-L530 HydrophobicContact CG2-CD1 4.12Å; V501-L530 HydrophobicContact CG2-CD2 3.58Å; V501-L530 HydrophobicContact CG2-CG 3.93Å; T524-L530 HydrophobicContact CG2-CD2 4.25Å; T524-L530 HydrophobicContact CG2-CG 4.34Å; F527-L530 HydrophobicContact CD1-CD1 4.27Å; F527-L530 VanDerWaalsContact O-CB 3.27Å; F527-L530 WeakPolarHBondContact O-CB 3.49Å; F527-L530 WeakPolarHBondContact O-CG 3.22Å; F527-L530 PolarHBondContact O-N 2.98Å; F527-L530 VanDerWaalsContact O-N 3.12Å; T528-L530 PolarHBondContact O-N 3.29Å; L530-I533 WeakPolarHBondContact O-CB 3.17Å; L530-I533 PolarHBondContact O-N 2.89Å; L530-I533 VanDerWaalsContact O-N 3.15Å; L530-V534 PolarHBondContact O-N 3.4Å
531E94.9Very high96.4Very high144 Ų14455.2 Ų55.267%0.67327%0.273SS*.Hα-helixtrans-54.6-51.9-177.6-172.5-179.9-173.300113.7G529 I533 V534G529-E531 VanDerWaalsContact C-N 3.32Å; E531-I533 VanDerWaalsContact C-N 3.28Å; E531-I533 PolarHBondContact O-N 3.22Å; E531-V534 WeakPolarHBondContact O-CB 3.37Å; E531-V534 WeakPolarHBondContact O-CG2 3.33Å; E531-V534 PolarHBondContact O-N 3Å
532P94.5Very high96.2Very high81 Ų8155.3 Ų55.353%0.52627%0.273SS..Hα-helixtrans-64.1-30.4178.223.9-34.9000113.5G529 V534 S535G529-P532 VanDerWaalsContact O-CD 3.3Å; G529-P532 WeakPolarHBondContact O-CD 3.49Å; G529-P532 VanDerWaalsContact O-CG 3.3Å; G529-P532 WeakPolarHBondContact O-CG 3.45Å; P532-V534 PolarHBondContact O-N 3.33Å; P532-S535 PolarHBondContact O-N 3.47Å; P532-S535 PolarHBondContact O-OG 3.1Å; P532-S535 VanDerWaalsContact O-OG 3.06Å
533I97.7Very high96Very high14 Ų1457.7 Ų57.77%0.07228%0.281CS..Hα-helixtrans-66.2-27.1-178.4-64.1172.6000111.7F389 V499 F522 T524 L530 E531 S535 D536 V537F389-I533 HydrophobicContact CE2-CB 4.15Å; F389-I533 HydrophobicContact CE2-CG2 4Å; F389-I533 HydrophobicContact CZ-CG2 4.25Å; V499-I533 HydrophobicContact CG1-CD1 4.3Å; V499-I533 HydrophobicContact CG1-CG2 4.2Å; V499-I533 HydrophobicContact CG2-CG2 4.35Å; F522-I533 HydrophobicContact CB-CD1 4.22Å; F522-I533 HydrophobicContact CB-CG2 3.82Å; F522-I533 HydrophobicContact CD1-CG2 4.26Å; F522-I533 HydrophobicContact CD2-CG2 4.21Å; F522-I533 HydrophobicContact CG-CG2 3.84Å; T524-I533 HydrophobicContact CG2-CD1 3.88Å; L530-I533 WeakPolarHBondContact O-CB 3.17Å; L530-I533 PolarHBondContact O-N 2.89Å; L530-I533 VanDerWaalsContact O-N 3.15Å; E531-I533 VanDerWaalsContact C-N 3.28Å; E531-I533 PolarHBondContact O-N 3.22Å; I533-S535 PolarHBondContact O-N 2.84Å; I533-D536 PolarHBondContact O-N 2.94Å; I533-V537 HydrophobicContact CG2-CG2 3.8Å; I533-V537 PolarHBondContact O-N 3.39Å
534V98.1Very high95.8Very high16 Ų1654.4 Ų54.410%0.09727%0.267CS..Hα-helixtrans-49.4-47.1177.8172.50000111.2F389 N392 I393 L530 E531 P532 D536 I538F389-V534 HydrophobicContact CD2-CG2 3.48Å; F389-V534 VanDerWaalsContact CD2-CG2 3.48Å; F389-V534 HydrophobicContact CE2-CG2 3.78Å; F389-V534 HydrophobicContact CG-CG2 4.48Å; N392-V534 HydrophobicContact CB-CG1 4.06Å; N392-V534 HydrophobicContact CB-CG2 3.92Å; I393-V534 HydrophobicContact CG1-CB 4.41Å; I393-V534 HydrophobicContact CG1-CG1 3.93Å; I393-V534 HydrophobicContact CG1-CG2 4.39Å; L530-V534 PolarHBondContact O-N 3.4Å; E531-V534 WeakPolarHBondContact O-CB 3.37Å; E531-V534 WeakPolarHBondContact O-CG2 3.33Å; E531-V534 PolarHBondContact O-N 3Å; P532-V534 PolarHBondContact O-N 3.33Å; V534-D536 VanDerWaalsContact C-N 3.33Å; V534-D536 PolarHBondContact O-N 3.27Å; V534-I538 HydrophobicContact CG1-CD1 3.68Å; V534-I538 WeakPolarHBondContact O-CD1 3.2Å; V534-I538 VanDerWaalsContact O-CG1 3.26Å; V534-I538 WeakPolarHBondContact O-CG1 2.93Å; V534-I538 PolarHBondContact O-N 3.36Å; V534-I538 VanDerWaalsContact O-N 3.11Å
535S95.8Very high95.5Very high62 Ų6253.8 Ų53.843%0.43426%0.263SS..Hα-helixtrans-68-33.6-176.272.80000112.9P532 I533 R539P532-S535 PolarHBondContact O-N 3.47Å; P532-S535 PolarHBondContact O-OG 3.1Å; P532-S535 VanDerWaalsContact O-OG 3.06Å; I533-S535 PolarHBondContact O-N 2.84Å; S535-R539 WeakPolarHBondContact O-CB 3.39Å; S535-R539 PolarHBondContact O-N 3.47Å
536D96.8Very high95Very high59 Ų5948.2 Ų48.232%0.31625%0.248SC..Hα-helixtrans-77-38-179.8-68.8-37.3000111.8F522 I533 V534 R539 G540F522-D536 HydrophobicContact CE1-CB 3.73Å; F522-D536 HydrophobicContact CZ-CB 4.09Å; I533-D536 PolarHBondContact O-N 2.94Å; V534-D536 VanDerWaalsContact C-N 3.33Å; V534-D536 PolarHBondContact O-N 3.27Å; D536-R539 PolarHBondContact O-N 2.91Å; D536-R539 IonicContact OD1-CZ 3.78Å; D536-R539 IonicContact OD1-NH1 3.35Å; D536-R539 PolarHBondContact OD1-NH1 3.06Å; D536-R539 IonicContact OD1-NH2 2.72Å; D536-G540 PolarHBondContact O-N 2.85Å
537V97.9Very high94.5Very high0 Ų047 Ų470%024%0.242CC..Hα-helixtrans-62.7-47.2173174.80000110.8F389 I393 V471 F497 V499 F522 I533 R539 G540 I541F389-V537 HydrophobicContact CZ-CG2 4.27Å; I393-V537 HydrophobicContact CD1-CB 4.09Å; I393-V537 HydrophobicContact CD1-CG1 3.83Å; V471-V537 HydrophobicContact CG2-CG1 4.21Å; F497-V537 HydrophobicContact CG-CG1 4.46Å; V499-V537 HydrophobicContact CG2-CG2 4.18Å; F522-V537 HydrophobicContact CD2-CG2 3.81Å; F522-V537 HydrophobicContact CE2-CG2 3.55Å; F522-V537 HydrophobicContact CZ-CG2 4.26Å; I533-V537 HydrophobicContact CG2-CG2 3.8Å; I533-V537 PolarHBondContact O-N 3.39Å; V537-R539 VanDerWaalsContact C-N 3.32Å; V537-R539 PolarHBondContact O-N 3.2Å; V537-G540 PolarHBondContact O-N 3.25Å; V537-I541 HydrophobicContact CG1-CD1 3.89Å; V537-I541 HydrophobicContact CG1-CG1 4.42Å; V537-I541 WeakPolarHBondContact O-CG1 3.37Å; V537-I541 PolarHBondContact O-N 3.46Å
538I97Very high93.6Very high18 Ų1848 Ų489%0.09225%0.251CS..Hα-helixtrans-59.8-44.5177.3-66.7161.8000110.6Y363 I393 T396 F397 V534 G540 I541 C542Y363-I538 HydrophobicContact CE1-CG2 4.18Å; I393-I538 HydrophobicContact CG2-CG1 4.27Å; T396-I538 HydrophobicContact CG2-CD1 3.96Å; T396-I538 HydrophobicContact CG2-CG2 4.07Å; T396-I538 WeakPolarHBondContact OG1-CD1 3.37Å; F397-I538 HydrophobicContact CE2-CG1 4.25Å; V534-I538 HydrophobicContact CG1-CD1 3.68Å; V534-I538 WeakPolarHBondContact O-CD1 3.2Å; V534-I538 VanDerWaalsContact O-CG1 3.26Å; V534-I538 WeakPolarHBondContact O-CG1 2.93Å; V534-I538 PolarHBondContact O-N 3.36Å; V534-I538 VanDerWaalsContact O-N 3.11Å; I538-G540 VanDerWaalsContact C-N 3.32Å; I538-G540 PolarHBondContact O-N 2.89Å; I538-I541 PolarHBondContact O-N 2.84Å; I538-C542 WeakPolarHBondContact O-CB 3.48Å; I538-C542 PolarHBondContact O-N 3.41Å
539R94.6Very high92Very high150 Ų15049.3 Ų49.357%0.56625%0.252SS*.Hα-helixtrans-62.2-41.3177.4-169.1-173.2-59.2131.99.1111.3S535 D536 V537 C542 R543S535-R539 WeakPolarHBondContact O-CB 3.39Å; S535-R539 PolarHBondContact O-N 3.47Å; D536-R539 PolarHBondContact O-N 2.91Å; D536-R539 IonicContact OD1-CZ 3.78Å; D536-R539 IonicContact OD1-NH1 3.35Å; D536-R539 PolarHBondContact OD1-NH1 3.06Å; D536-R539 IonicContact OD1-NH2 2.72Å; V537-R539 VanDerWaalsContact C-N 3.32Å; V537-R539 PolarHBondContact O-N 3.2Å; R539-C542 PolarHBondContact O-N 2.83Å; R539-R543 WeakPolarHBondContact O-CB 3.49Å; R539-R543 PolarHBondContact O-N 3.06Å
540G96.3Very high89.7Confident1 Ų158.3 Ų58.31%0.0129%0.289CS..Hα-helixtrans-59.3-54.4174.800000112D536 V537 I538 C542 R543 D544D536-G540 PolarHBondContact O-N 2.85Å; V537-G540 PolarHBondContact O-N 3.25Å; I538-G540 VanDerWaalsContact C-N 3.32Å; I538-G540 PolarHBondContact O-N 2.89Å; G540-C542 VanDerWaalsContact C-N 3.26Å; G540-C542 PolarHBondContact O-N 2.88Å; G540-R543 PolarHBondContact O-N 3.27Å; G540-R543 VanDerWaalsContact O-N 3.16Å; G540-D544 PolarHBondContact O-N 3.32Å
541I96.7Very high89.3Confident0 Ų061.1 Ų61.10%030%0.303CS..Hα-helixtrans-53.7-46.3177.6-69.5169.2000110.6I368 F397 F469 V471 F497 V537 I538 F545I368-I541 HydrophobicContact CD1-CD1 4.14Å; F397-I541 HydrophobicContact CE1-CG2 3.96Å; F397-I541 HydrophobicContact CE2-CD1 4.48Å; F397-I541 HydrophobicContact CZ-CB 4.32Å; F397-I541 HydrophobicContact CZ-CD1 4.03Å; F397-I541 HydrophobicContact CZ-CG2 3.86Å; F469-I541 HydrophobicContact CD1-CB 4.49Å; F469-I541 HydrophobicContact CD1-CG1 4.09Å; F469-I541 HydrophobicContact CD1-CG2 4.27Å; F469-I541 HydrophobicContact CD2-CG2 3.96Å; F469-I541 HydrophobicContact CE1-CB 4.41Å; F469-I541 HydrophobicContact CE1-CG1 4.46Å; F469-I541 HydrophobicContact CE1-CG2 4.16Å; F469-I541 HydrophobicContact CE2-CG2 3.84Å; F469-I541 HydrophobicContact CG-CG1 4.32Å; F469-I541 HydrophobicContact CG-CG2 4.16Å; F469-I541 HydrophobicContact CZ-CG2 3.94Å; F469-I541 WeakPolarHBondContact CZ-O 3.42Å; V471-I541 HydrophobicContact CG2-CD1 4.36Å; F497-I541 HydrophobicContact CD2-CG1 3.95Å; F497-I541 HydrophobicContact CE2-CB 4.43Å; F497-I541 HydrophobicContact CE2-CG1 3.53Å; F497-I541 HydrophobicContact CZ-CG1 4.06Å; V537-I541 HydrophobicContact CG1-CD1 3.89Å; V537-I541 HydrophobicContact CG1-CG1 4.42Å; V537-I541 WeakPolarHBondContact O-CG1 3.37Å; V537-I541 PolarHBondContact O-N 3.46Å; I538-I541 PolarHBondContact O-N 2.84Å; I541-F545 VanDerWaalsContact O-CB 3.32Å; I541-F545 WeakPolarHBondContact O-CB 3.34Å; I541-F545 PolarHBondContact O-N 3.19Å
542C93.4Very high89Confident14 Ų1456.7 Ų56.710%0.09528%0.283CS..Hα-helixtrans-68.2-37.7-179.3-78.10000114.1C362 I538 R539 G540 L546C362-C542 VanDerWaalsContact CB-CA 3.46Å; C362-C542 HydrophobicContact CB-CB 3.64Å; C362-C542 WeakPolarHBondContact CB-SG 3.4Å; C362-C542 WeakPolarHBondContact SG-CB 3.24Å; C362-C542 CovalentContact SG-SG 2.04Å; C362-C542 PolarHBondContact SG-SG 3.39Å; I538-C542 WeakPolarHBondContact O-CB 3.48Å; I538-C542 PolarHBondContact O-N 3.41Å; R539-C542 PolarHBondContact O-N 2.83Å; G540-C542 VanDerWaalsContact C-N 3.26Å; G540-C542 PolarHBondContact O-N 2.88Å; C542-L546 VanDerWaalsContact O-CG 3.29Å; C542-L546 WeakPolarHBondContact O-CG 3.46Å; C542-L546 PolarHBondContact O-N 2.89Å
543R93.6Very high88.7Confident79 Ų7955.4 Ų55.430%0.29827%0.27SS..Hα-helixtrans-62.3-51.9174.1178.1-166.761.1-126.9-11.3110.5S519 H520 R539 G540 F545 L546 E547S519-R543 PolarHBondContact OG-NH2 3.28Å; S519-R543 VanDerWaalsContact OG-NH2 3.09Å; H520-R543 PolarHBondContact CE1-NH2 2.72Å; R539-R543 WeakPolarHBondContact O-CB 3.49Å; R539-R543 PolarHBondContact O-N 3.06Å; G540-R543 PolarHBondContact O-N 3.27Å; G540-R543 VanDerWaalsContact O-N 3.16Å; R543-F545 VanDerWaalsContact C-N 3.31Å; R543-F545 PolarHBondContact O-N 2.87Å; R543-L546 WeakPolarHBondContact O-CB 3.32Å; R543-L546 PolarHBondContact O-N 2.91Å; R543-E547 WeakPolarHBondContact CG-OE1 3.47Å; R543-E547 PolarHBondContact O-N 3.23Å
544D93.6Very high88.2Confident17 Ų1757.8 Ų57.89%0.09128%0.282CS..Hα-helixtrans-66-34-176.6-78.545.8000112.4F469 H520 G540 L546 S548F469-D544 HydrophobicContact CE1-CB 3.98Å; F469-D544 HydrophobicContact CZ-CB 4.37Å; H520-D544 IonicContact CE1-OD1 2.77Å; H520-D544 IonicContact CE1-OD2 3.63Å; H520-D544 PolarHBondContact CE1-OD2 2.82Å; H520-D544 IonicContact NE2-OD1 3.74Å; H520-D544 IonicContact NE2-OD2 3.65Å; H520-D544 PolarHBondContact NE2-OD2 2.83Å; G540-D544 PolarHBondContact O-N 3.32Å; D544-L546 VanDerWaalsContact C-N 3.35Å; D544-L546 PolarHBondContact O-N 3.43Å; D544-S548 WeakPolarHBondContact O-CB 3.44Å; D544-S548 PolarHBondContact O-N 3.25Å; D544-S548 VanDerWaalsContact O-N 3.09Å; D544-S548 PolarHBondContact O-OG 3.29Å
545F90.9Very high87.5Confident8 Ų860.4 Ų60.44%0.03529%0.293CS..Hα-helixtrans-56.5-48.1168.4175.7-92.4000111.4C362 S365 V366 K467 F469 I541 R543 S548 Q549C362-F545 HydrophobicContact CB-CB 3.8Å; C362-F545 HydrophobicContact CB-CD1 3.77Å; C362-F545 HydrophobicContact CB-CG 3.79Å; S365-F545 WeakPolarHBondContact O-CE2 3.38Å; V366-F545 HydrophobicContact CG1-CD2 3.76Å; V366-F545 HydrophobicContact CG1-CE2 4.32Å; V366-F545 HydrophobicContact CG1-CG 4.46Å; K467-F545 HydrophobicContact CB-CD2 4.02Å; F469-F545 HydrophobicContact CZ-CB 4.3Å; I541-F545 VanDerWaalsContact O-CB 3.32Å; I541-F545 WeakPolarHBondContact O-CB 3.34Å; I541-F545 PolarHBondContact O-N 3.19Å; R543-F545 VanDerWaalsContact C-N 3.31Å; R543-F545 PolarHBondContact O-N 2.87Å; F545-S548 PolarHBondContact O-N 3.27Å; F545-S548 PolarHBondContact O-OG 3.03Å; F545-Q549 WeakPolarHBondContact O-CG 3.44Å
546L84.7Confident87Confident91 Ų9160.3 Ų60.348%0.47628%0.284SS..Hα-helixtrans-70.7-32.6-176.4-69.6171.6000113.9K264 C542 R543 D544K264-L546 PolarHBondContact NZ-O 3.2Å; C542-L546 VanDerWaalsContact O-CG 3.29Å; C542-L546 WeakPolarHBondContact O-CG 3.46Å; C542-L546 PolarHBondContact O-N 2.89Å; R543-L546 WeakPolarHBondContact O-CB 3.32Å; R543-L546 PolarHBondContact O-N 2.91Å; D544-L546 VanDerWaalsContact C-N 3.35Å; D544-L546 PolarHBondContact O-N 3.43Å
547E84Confident86.3Confident106 Ų10660.4 Ų60.450%0.49528%0.282SS..Hα-helixtrans-70.6-37.1175.8-72.2177.2-17100111.2R543 Q549 Q550R543-E547 WeakPolarHBondContact CG-OE1 3.47Å; R543-E547 PolarHBondContact O-N 3.23Å; E547-Q549 PolarHBondContact O-N 3.35Å; E547-Q549 VanDerWaalsContact O-N 3.1Å; E547-Q550 PolarHBondContact O-N 2.77Å; E547-Q550 VanDerWaalsContact O-N 3.14Å
548S77.3Confident85.4Confident39 Ų3965.1 Ų65.127%0.27330%0.303SS..THydrogen-bonded Turntrans-68.1-8177.375.80000115.6D544 F545D544-S548 WeakPolarHBondContact O-CB 3.44Å; D544-S548 PolarHBondContact O-N 3.25Å; D544-S548 VanDerWaalsContact O-N 3.09Å; D544-S548 PolarHBondContact O-OG 3.29Å; F545-S548 PolarHBondContact O-N 3.27Å; F545-S548 PolarHBondContact O-OG 3.03Å
549Q61.8Low84.4Confident116 Ų11669 Ų6954%0.54232%0.321SS..THydrogen-bonded Turntrans-98.22.9176.9-60.6-67.1-56.600112.7F545 E547F545-Q549 WeakPolarHBondContact O-CG 3.44Å; E547-Q549 PolarHBondContact O-N 3.35Å; E547-Q549 VanDerWaalsContact O-N 3.1Å
550Q46.4Very low83.5Confident207 Ų20761.6 Ų61.697%0.96730%0.298SS*.  trans-94.60168.2-83.6171.3-7.100109.8E547E547-Q550 PolarHBondContact O-N 2.77Å; E547-Q550 VanDerWaalsContact O-N 3.14Å

Retrieved 550 of 550 residues in 1095.8 ms (Link to these results)