A0A087YJ07_POEFO Loading...

Arginase

AlphaFold DB , UniProt , Accession A0A087YJ07, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 346 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
1M35.3Very low37.1Very low245 Ų245139.1 Ų139.1100%1.20774%0.744SS**  085.60-81.2171.113700107.4
2A30.9Very low37.2Very low90 Ų90142.8 Ų142.874%0.74474%0.739SS**  95.988.789.500000111.3R4A2-R4 PolarHBondContact O-N 3.13Å; A2-R4 VanDerWaalsContact O-N 3.13Å
3L39.7Very low37.1Very low184 Ų184138.5 Ų138.596%0.96372%0.724SS**  trans-5.193.2144.8-71.4149.6000115.4
4R37.6Very low36.5Very low250 Ų250139.9 Ų139.994%0.94373%0.725SS**  trans-149.698.4156.5-72.7-166176.7-174.3-1.5109.3A2A2-R4 PolarHBondContact O-N 3.13Å; A2-R4 VanDerWaalsContact O-N 3.13Å
5G36.1Very low36.2Very low54 Ų54139.3 Ų139.356%0.55772%0.722SS**SBendtrans-167.9-20.3174.600000115.6
6S45.8Very low36.5Very low93 Ų93142.1 Ų142.165%0.6572%0.72SS**SBendtrans-83.5-25.8-172.6-174.20000114.7
7L35.5Very low36.5Very low146 Ų146144.1 Ų144.176%0.76473%0.726SS**Hα-helixtrans-85.5-15.4-171-85.4143.3000115.5
8S36.2Very low36.4Very low76 Ų76142.3 Ų142.353%0.53172%0.723SS.*Hα-helixtrans-87.3-13178.864.60000114.2
9R44.8Very low36.3Very low160 Ų160140.7 Ų140.760%0.60473%0.725SS**Hα-helixtrans-81.9-42.4176.8-82.9-173.9-171.9-160.1-0.6112L11 R12 T13 E232R9-L11 VanDerWaalsContact C-N 3.29Å; R9-L11 PolarHBondContact O-N 3.03Å; R9-R12 PolarHBondContact O-N 3.31Å; R9-T13 PolarHBondContact O-N 3.11Å; R9-T13 PolarHBondContact O-OG1 3.22Å; R9-T13 VanDerWaalsContact O-OG1 3.11Å; R9-E232 IonicContact NH1-OE1 3.63Å
10L34.8Very low36.3Very low116 Ų116141.9 Ų141.961%0.60773%0.727SS**Hα-helixtrans-62.8-31.7-179.6-89.4146.1000113.8T13L10-T13 PolarHBondContact O-OG1 3.38Å
11L31.6Very low36.2Very low116 Ų116143.6 Ų143.661%0.60773%0.732SS**Hα-helixtrans-81.4-15.1174.9-89147000113.7R9R9-L11 VanDerWaalsContact C-N 3.29Å; R9-L11 PolarHBondContact O-N 3.03Å
12R38.5Very low36.3Very low184 Ų184137.4 Ų137.469%0.69471%0.713SS**Hα-helixtrans-88.2-25.2174.3-77.2-175.5-174-156.80.9113R9R9-R12 PolarHBondContact O-N 3.31Å
13T35Very low36.9Very low87 Ų87144 Ų14453%0.53472%0.719SS.*Hα-helixtrans-75.6-35.4175.225.10000112.6R9 L10 L15R9-T13 PolarHBondContact O-N 3.11Å; R9-T13 PolarHBondContact O-OG1 3.22Å; R9-T13 VanDerWaalsContact O-OG1 3.11Å; L10-T13 PolarHBondContact O-OG1 3.38Å; T13-L15 VanDerWaalsContact C-N 3.33Å; T13-L15 PolarHBondContact O-N 3.2Å
14Q29.3Very low37.6Very low158 Ų158139.4 Ų139.474%0.73871%0.708SS**THydrogen-bonded Turntrans-75.9-13.7-178.7-76.9-169.2-23.600115.4
15L32Very low39.7Very low131 Ų131132.3 Ų132.369%0.68669%0.685SS**THydrogen-bonded Turntrans-103.33.5179.1-78.7161.8000114.1T13T13-L15 VanDerWaalsContact C-N 3.33Å; T13-L15 PolarHBondContact O-N 3.2Å
16R41Very low42.5Very low184 Ų184130.8 Ų130.869%0.69467%0.666SS**SBendtrans-86.7-13.5176.7-78.9-177.5179-160-0.7114.3
17H36.4Very low45Very low176 Ų176126.3 Ų126.382%0.81564%0.635SS**SBendtrans-88.43.7-176.4-86.2-70.9000115.5
18T34.5Very low48Very low111 Ų111119.4 Ų119.468%0.68160%0.599SS**SBendtrans-125.413.7-168.935.90000116.7
19C34.8Very low51Low112 Ų112115.8 Ų115.876%0.75757%0.573SS**  trans-153.970.7168.3-147.80000114
20Q36.5Very low53.6Low164 Ų164108.4 Ų108.477%0.76655%0.546SS*.  trans-136.479.4151.4-114.8169.8-15.800106.9S22Q20-S22 PolarHBondContact O-N 3.2Å
21Q34.6Very low56.6Low178 Ų178102.9 Ų102.983%0.83252%0.517SS*.  trans-62.1101.5168.2-84.2175.2-35.900108.8R23Q21-R23 PolarHBondContact O-N 3.09Å
22S36.6Very low59.8Low116 Ų11697.4 Ų97.481%0.81149%0.488SS*.  trans25.363.2145.373.80000117.7Q20Q20-S22 PolarHBondContact O-N 3.2Å
23R43.3Very low62.7Low227 Ų22790.2 Ų90.286%0.85747%0.466SS*.  trans-78.8121.8142.8-81-173.8173-179.3-2.1105.7Q21 Q25Q21-R23 PolarHBondContact O-N 3.09Å; R23-Q25 PolarHBondContact O-N 3.06Å
24A55.6Low65.7Low89 Ų8986.4 Ų86.474%0.73644%0.442SS*.  trans-51.4115167.800000107.1S26A24-S26 PolarHBondContact O-N 3.4Å
25Q81.3Confident69Low100 Ų10079.8 Ų79.847%0.46741%0.413SS..  trans-69.8129.2179.2-66.5-177.1-28.400106.9R23 Y64 S65R23-Q25 PolarHBondContact O-N 3.06Å; Q25-Y64 HydrophobicContact CB-CD1 3.54Å; Q25-Y64 HydrophobicContact CB-CE1 3.42Å; Q25-Y64 VanDerWaalsContact CB-CE1 3.42Å; Q25-Y64 HydrophobicContact CG-CE1 4.38Å; Q25-Y64 WeakPolarHBondContact O-CA 2.99Å; Q25-Y64 PolarHBondContact OE1-OH 2.83Å; Q25-S65 PolarHBondContact O-N 2.75Å
26S94.9Very high72.2Confident22 Ų2277.8 Ų77.815%0.15440%0.398CS..EExtended strand (participates in β ladder)trans-121.5139.2-176.761.90000109.4A24 S65 H111 T112A24-S26 PolarHBondContact O-N 3.4Å; S26-S65 CarbonylContact C-O 3.54Å; S26-S65 VanDerWaalsContact CA-O 3.26Å; S26-S65 WeakPolarHBondContact CA-O 3.04Å; S26-H111 WeakPolarHBondContact CB-ND1 3.36Å; S26-H111 WeakPolarHBondContact O-CA 3.5Å; S26-H111 PolarHBondContact OG-ND1 3.41Å; S26-T112 PolarHBondContact O-N 3.26Å
27V97.9Very high74.9Confident0 Ų069 Ų690%037%0.365CS..EExtended strand (participates in β ladder)trans-118.2129.8-178.1170.30000108.7I29 L59 Y64 S65 H67 T112 V114 L323V27-I29 HydrophobicContact CG1-CG1 4.16Å; V27-L59 HydrophobicContact CG1-CD1 4.11Å; V27-Y64 HydrophobicContact CG2-CD1 3.4Å; V27-Y64 HydrophobicContact CG2-CE1 3.84Å; V27-Y64 HydrophobicContact CG2-CG 3.91Å; V27-S65 PolarHBondContact N-O 3.26Å; V27-H67 PolarHBondContact O-N 2.98Å; V27-T112 CarbonylContact C-O 3.51Å; V27-T112 VanDerWaalsContact CA-O 3.27Å; V27-T112 WeakPolarHBondContact CA-O 3.41Å; V27-V114 HydrophobicContact CG1-CB 4.27Å; V27-V114 HydrophobicContact CG1-CG2 3.54Å; V27-L323 HydrophobicContact CG1-CD1 4.45Å; V27-L323 HydrophobicContact CG2-CD1 3.93Å; V27-L323 HydrophobicContact CG2-CD2 4.17Å
28A98.6Very high77.8Confident0 Ų061.7 Ų61.70%033%0.332CS..EExtended strand (participates in β ladder)trans-102.7116.5171.200000109.2H67 F69 A106 H111 T112 V114A28-H67 CarbonylContact C-O 3.6Å; A28-H67 WeakPolarHBondContact CA-O 3.24Å; A28-F69 HydrophobicContact CB-CD2 3.98Å; A28-F69 HydrophobicContact CB-CE2 3.64Å; A28-A106 HydrophobicContact CB-CB 3.87Å; A28-H111 HydrophobicContact CB-CB 3.62Å; A28-T112 PolarHBondContact N-O 2.84Å; A28-V114 PolarHBondContact O-N 3.11Å
29I98.8Very high80.7Confident0 Ų063.7 Ų63.70%033%0.331CS..EExtended strand (participates in β ladder)trans-92.4125.6174.1-56.3172.9000108.3V27 L55 I56 L59 V66 H67 D68 F69 V114 L116V27-I29 HydrophobicContact CG1-CG1 4.16Å; I29-L55 HydrophobicContact CD1-CD2 4.15Å; I29-L55 HydrophobicContact CD1-CG 4.41Å; I29-L55 HydrophobicContact CG2-CD2 4.49Å; I29-I56 HydrophobicContact CD1-CG1 3.97Å; I29-L59 HydrophobicContact CD1-CD1 4.2Å; I29-V66 HydrophobicContact CD1-CG1 3.57Å; I29-V66 HydrophobicContact CG1-CG1 4.17Å; I29-H67 PolarHBondContact N-O 3.21Å; I29-D68 HydrophobicContact CB-CB 4.47Å; I29-F69 PolarHBondContact O-N 3.04Å; I29-V114 CarbonylContact C-O 3.34Å; I29-V114 WeakPolarHBondContact CA-O 3.26Å; I29-V114 HydrophobicContact CG1-CB 4.35Å; I29-L116 HydrophobicContact CG2-CD1 3.87Å; I29-L116 HydrophobicContact CG2-CG 4.09Å
30L98.8Very high83.5Confident6 Ų664.9 Ų64.93%0.03132%0.319CS..EExtended strand (participates in β ladder)trans-123.9118.5177.2-66.9167.3000108.7F69 A102 V103 A106 V113 V114 M115 L116L30-F69 HydrophobicContact CD2-CB 3.54Å; L30-F69 HydrophobicContact CD2-CD2 4.32Å; L30-F69 HydrophobicContact CD2-CG 4.02Å; L30-A102 HydrophobicContact CD1-CB 4.38Å; L30-A102 HydrophobicContact CD2-CB 4.39Å; L30-V103 HydrophobicContact CD1-CG2 3.87Å; L30-A106 HydrophobicContact CD1-CB 4.34Å; L30-V113 HydrophobicContact CD1-CG1 3.85Å; L30-V114 PolarHBondContact N-O 3.48Å; L30-M115 CarbonylContact O-C 3.59Å; L30-M115 WeakPolarHBondContact O-CA 3.45Å; L30-L116 PolarHBondContact O-N 2.68Å
31G98.9Very high86.4Confident0 Ų059.1 Ų59.10%030%0.304CS..EExtended strand (participates in β ladder)trans-85.1135.6169.800000111.3P33 G70 D71 L72G31-P33 VanDerWaalsContact C-CD 3.46Å; G31-P33 WeakPolarHBondContact O-CD 3.5Å; G31-G70 PolarHBondContact N-O 2.63Å; G31-D71 WeakPolarHBondContact CA-OD1 3.43Å; G31-L72 PolarHBondContact O-N 3.28Å
32A98.8Very high89.4Confident0 Ų050.8 Ų50.80%027%0.266CS..EExtended strand (participates in β ladder)trans-126.469.2177.100000110.4F34 F74 L99 M115 L116 G118 L122A32-F34 PolarHBondContact O-N 2.82Å; A32-F74 HydrophobicContact CB-CE2 4.28Å; A32-F74 HydrophobicContact CB-CZ 3.99Å; A32-L99 HydrophobicContact CB-CD1 4.34Å; A32-L99 HydrophobicContact CB-CD2 4.4Å; A32-M115 HydrophobicContact CB-CG 4.36Å; A32-M115 HydrophobicContact CB-SD 3.71Å; A32-L116 PolarHBondContact N-O 2.7Å; A32-G118 PolarHBondContact O-N 2.9Å; A32-L122 HydrophobicContact CB-CD1 3.73Å; A32-L122 HydrophobicContact CB-CD2 4.25Å; A32-L122 VanDerWaalsContact O-CD1 3.27Å; A32-L122 WeakPolarHBondContact O-CD1 3.23Å
33P98.6Very high92.3Very high34 Ų3445.2 Ų45.222%0.22123%0.227CC..  trans-69.590.6-177.631.2-37.7000111.4G31 E44 P47 D71G31-P33 VanDerWaalsContact C-CD 3.46Å; G31-P33 WeakPolarHBondContact O-CD 3.5Å; P33-E44 HydrophobicContact CB-CB 4.12Å; P33-E44 WeakPolarHBondContact CB-O 3.49Å; P33-P47 HydrophobicContact CB-CG 4.2Å; P33-D71 HydrophobicContact CG-CB 3.96Å
34F98.8Very high95Very high7 Ų737.1 Ų37.13%0.03120%0.199CC..  trans-143.5136.6-173.1-176.9-97.3000112.1A32 K36 F74 L76 V92 A95 G118 D119 L122A32-F34 PolarHBondContact O-N 2.82Å; F34-K36 HydrophobicContact CE1-CB 4.06Å; F34-K36 HydrophobicContact CE2-CB 3.99Å; F34-K36 HydrophobicContact CE2-CG 4.2Å; F34-K36 HydrophobicContact CZ-CB 3.53Å; F34-K36 HydrophobicContact CZ-CG 4.24Å; F34-F74 HydrophobicContact CB-CD2 3.95Å; F34-F74 HydrophobicContact CB-CE2 3.8Å; F34-F74 HydrophobicContact CD2-CB 4.4Å; F34-F74 AromaticContact CD2-CD2 4Å; F34-F74 HydrophobicContact CD2-CD2 4Å; F34-F74 HydrophobicContact CD2-CG 4.22Å; F34-F74 HydrophobicContact CG-CD2 4.41Å; F34-L76 HydrophobicContact CE2-CD2 4.01Å; F34-V92 HydrophobicContact CE1-CB 4.33Å; F34-V92 HydrophobicContact CE1-CG1 4.43Å; F34-V92 HydrophobicContact CE1-CG2 3.82Å; F34-V92 HydrophobicContact CZ-CB 4.18Å; F34-V92 HydrophobicContact CZ-CG2 3.75Å; F34-A95 HydrophobicContact CD2-CB 3.66Å; F34-A95 HydrophobicContact CE1-CB 4.42Å; F34-A95 HydrophobicContact CE2-CB 3.47Å; F34-A95 VanDerWaalsContact CE2-CB 3.47Å; F34-A95 HydrophobicContact CG-CB 4.22Å; F34-A95 HydrophobicContact CZ-CB 3.88Å; F34-G118 CarbonylContact O-C 3.51Å; F34-G118 VanDerWaalsContact O-CA 3.25Å; F34-G118 WeakPolarHBondContact O-CA 3.48Å; F34-D119 PolarHBondContact O-N 2.89Å; F34-L122 HydrophobicContact CB-CD1 4.18Å; F34-L122 HydrophobicContact CB-CD2 3.9Å; F34-L122 HydrophobicContact CB-CG 4.38Å; F34-L122 HydrophobicContact CD1-CD2 3.98Å; F34-L122 HydrophobicContact CD1-CG 4.32Å; F34-L122 HydrophobicContact CG-CD2 4.12Å
35S98.4Very high97Very high19 Ų1937.3 Ų37.313%0.13319%0.185CC..  trans-133.34.1-17355.80000115.5G37 Q38 V43 E44 D119S35-G37 VanDerWaalsContact C-N 3.28Å; S35-G37 PolarHBondContact O-N 3.38Å; S35-Q38 PolarHBondContact O-N 3.33Å; S35-Q38 PolarHBondContact O-NE2 2.9Å; S35-Q38 VanDerWaalsContact O-O 3.1Å; S35-V43 VanDerWaalsContact CB-CG1 3.49Å; S35-E44 WeakPolarHBondContact CB-OE2 3.41Å; S35-E44 PolarHBondContact OG-OE2 3.37Å; S35-D119 WeakPolarHBondContact CA-OD2 3.48Å
36K98.4Very high97.9Very high88 Ų8832.6 Ų32.638%0.38316%0.162SC..THydrogen-bonded Turntrans-82.4-3.2-175.8-57.9-63.8-175.6-177.10113.8F34 Q38 L76 V92 D119F34-K36 HydrophobicContact CE1-CB 4.06Å; F34-K36 HydrophobicContact CE2-CB 3.99Å; F34-K36 HydrophobicContact CE2-CG 4.2Å; F34-K36 HydrophobicContact CZ-CB 3.53Å; F34-K36 HydrophobicContact CZ-CG 4.24Å; K36-Q38 PolarHBondContact O-N 2.77Å; K36-L76 HydrophobicContact CG-CD1 4.36Å; K36-L76 HydrophobicContact CG-CD2 4.26Å; K36-V92 HydrophobicContact CB-CG2 4.42Å; K36-D119 PolarHBondContact N-OD2 2.98Å
37G98.1Very high98.1Very high0 Ų031.5 Ų31.50%016%0.155CC..THydrogen-bonded Turntrans-70.1-14.116800000112.5S35 D119 N158 L159 H160S35-G37 VanDerWaalsContact C-N 3.28Å; S35-G37 PolarHBondContact O-N 3.38Å; G37-D119 WeakPolarHBondContact CA-OD1 3.32Å; G37-D119 WeakPolarHBondContact CA-OD2 3.46Å; G37-D119 PolarHBondContact N-OD2 3.12Å; G37-N158 CarbonylContact O-C 3.54Å; G37-N158 VanDerWaalsContact O-C 3.31Å; G37-N158 WeakPolarHBondContact O-CA 3.42Å; G37-N158 WeakPolarHBondContact O-CB 3.39Å; G37-L159 PolarHBondContact O-N 2.96Å; G37-H160 PolarHBondContact O-N 3.03Å
38Q97.6Very high98.1Very high22 Ų2236.9 Ų36.910%0.10318%0.178CC..SBendtrans-144.8-172179.951.572.339.600112S35 K36 R40 V43 D119 N158 H160S35-Q38 PolarHBondContact O-N 3.33Å; S35-Q38 PolarHBondContact O-NE2 2.9Å; S35-Q38 VanDerWaalsContact O-O 3.1Å; K36-Q38 PolarHBondContact O-N 2.77Å; Q38-R40 VanDerWaalsContact CD-O 3.25Å; Q38-R40 PolarHBondContact NE2-O 3.37Å; Q38-R40 PolarHBondContact OE1-O 3.49Å; Q38-V43 VanDerWaalsContact NE2-CG1 3.34Å; Q38-D119 HydrophobicContact CG-CB 3.62Å; Q38-N158 HydrophobicContact CB-CB 4.48Å; Q38-H160 HydrophobicContact CB-CB 4.42Å; Q38-H160 HydrophobicContact CG-CB 4.49Å
39K95Very high98.1Very high153 Ų15338.2 Ų38.267%0.66519%0.186SC*.SBendtrans-97-29.2-169.2-66.6-178.5-177.8174.40114.8
40R94.1Very high98.1Very high137 Ų13738.2 Ų38.252%0.51719%0.186SC..  trans-87.9116.8-173.9-58.3-178.5-178.4-139.75109.3Q38Q38-R40 VanDerWaalsContact CD-O 3.25Å; Q38-R40 PolarHBondContact NE2-O 3.37Å; Q38-R40 PolarHBondContact OE1-O 3.49Å
41G96.8Very high98.1Very high43 Ų4339.4 Ų39.444%0.44319%0.19SC..THydrogen-bonded Turntrans-63.5174.4165.900000111.8N298G41-N298 PolarHBondContact O-ND2 3.48Å
42G98Very high98.1Very high3 Ų344.6 Ų44.63%0.03122%0.218CC..THydrogen-bonded Turntrans99.7-26.4176.200000114.5E44 H45 N298 P299G42-E44 PolarHBondContact N-OE1 2.87Å; G42-E44 PolarHBondContact N-OE2 3.24Å; G42-E44 PolarHBondContact O-N 3.38Å; G42-H45 VanDerWaalsContact O-CB 3.31Å; G42-H45 WeakPolarHBondContact O-CB 3.26Å; G42-H45 PolarHBondContact O-N 3.09Å; G42-N298 WeakPolarHBondContact CA-OD1 3.24Å; G42-P299 WeakPolarHBondContact O-CD 3.46Å
43V98.6Very high98.1Very high0 Ų046.4 Ų46.40%023%0.233CC..G310 helixtrans-66.3-24.7175.674.50000111.5S35 Q38 H45 G46 G118 D119 N298S35-V43 VanDerWaalsContact CB-CG1 3.49Å; Q38-V43 VanDerWaalsContact NE2-CG1 3.34Å; V43-H45 PolarHBondContact O-N 2.91Å; V43-G46 PolarHBondContact O-N 3.17Å; V43-G118 VanDerWaalsContact CG2-C 3.47Å; V43-G118 WeakPolarHBondContact O-CA 3.34Å; V43-D119 HydrophobicContact CG1-CB 4.19Å; V43-N298 HydrophobicContact CB-CB 4.08Å; V43-N298 HydrophobicContact CG2-CB 4.3Å; V43-N298 VanDerWaalsContact N-CG 3.34Å; V43-N298 PolarHBondContact N-ND2 2.67Å; V43-N298 PolarHBondContact N-OD1 2.92Å
44E98.6Very high98.1Very high56 Ų5645.8 Ų45.826%0.26223%0.233SC..G310 helixtrans-61.6-11.9169.367.5-87.7-161.900113.9P33 S35 G42P33-E44 HydrophobicContact CB-CB 4.12Å; P33-E44 WeakPolarHBondContact CB-O 3.49Å; S35-E44 WeakPolarHBondContact CB-OE2 3.41Å; S35-E44 PolarHBondContact OG-OE2 3.37Å; G42-E44 PolarHBondContact N-OE1 2.87Å; G42-E44 PolarHBondContact N-OE2 3.24Å; G42-E44 PolarHBondContact O-N 3.38Å
45H98.8Very high98Very high94 Ų9445.4 Ų45.444%0.43523%0.231SC..G310 helixtrans-91.8-8.6173-57.9-43.9000113.4G42 V43 K48 V49 P299G42-H45 VanDerWaalsContact O-CB 3.31Å; G42-H45 WeakPolarHBondContact O-CB 3.26Å; G42-H45 PolarHBondContact O-N 3.09Å; V43-H45 PolarHBondContact O-N 2.91Å; H45-K48 PolarHBondContact O-N 3.46Å; H45-K48 VanDerWaalsContact O-N 3.13Å; H45-V49 PolarHBondContact O-N 2.85Å; H45-V49 VanDerWaalsContact O-N 3.13Å; H45-P299 HydrophobicContact CB-CG 3.59Å
46G98.8Very high98Very high0 Ų046.9 Ų46.90%024%0.237CC..Hα-helixtrans-47.7-51.5175.200000113.7V43 K48 V49 I50 V297V43-G46 PolarHBondContact O-N 3.17Å; G46-K48 PolarHBondContact O-N 2.99Å; G46-K48 VanDerWaalsContact O-N 3.16Å; G46-V49 VanDerWaalsContact O-CG2 3.28Å; G46-V49 WeakPolarHBondContact O-CG2 3.32Å; G46-V49 PolarHBondContact O-N 3.49Å; G46-I50 VanDerWaalsContact O-CG1 3.29Å; G46-I50 WeakPolarHBondContact O-CG1 3.38Å; G46-I50 PolarHBondContact O-N 3.31Å; G46-V297 VanDerWaalsContact CA-O 3.26Å; G46-V297 WeakPolarHBondContact CA-O 3.33Å
47P98.9Very high97.9Very high0 Ų048.9 Ų48.90%025%0.248CC..Hα-helixtrans-60.5-32.2-178.2-24.735.7000113.4P33 R51 L116 G117P33-P47 HydrophobicContact CB-CG 4.2Å; P47-R51 WeakPolarHBondContact O-CG 3.24Å; P47-R51 PolarHBondContact O-N 3.29Å; P47-R51 PolarHBondContact O-NH1 2.79Å; P47-R51 VanDerWaalsContact O-NH1 3.14Å; P47-L116 HydrophobicContact CB-CB 3.91Å; P47-L116 HydrophobicContact CG-CB 4.33Å; P47-L116 WeakPolarHBondContact CG-O 3.46Å; P47-G117 VanDerWaalsContact CD-O 3.24Å; P47-G117 WeakPolarHBondContact CD-O 3.46Å; P47-G117 WeakPolarHBondContact CG-O 3.44Å
48K98.7Very high97.8Very high112 Ų11253.6 Ų53.649%0.48727%0.266SS..Hα-helixtrans-72.4-50.5177.4173.9166.2172.243.90111.1H45 G46 I50 R51 D52H45-K48 PolarHBondContact O-N 3.46Å; H45-K48 VanDerWaalsContact O-N 3.13Å; G46-K48 PolarHBondContact O-N 2.99Å; G46-K48 VanDerWaalsContact O-N 3.16Å; K48-I50 VanDerWaalsContact C-N 3.31Å; K48-I50 PolarHBondContact O-N 2.94Å; K48-R51 WeakPolarHBondContact O-CB 3.3Å; K48-R51 PolarHBondContact O-N 3.2Å; K48-R51 VanDerWaalsContact O-N 3.17Å; K48-D52 WeakPolarHBondContact CE-OD2 3.37Å; K48-D52 WeakPolarHBondContact CG-OD2 3.4Å; K48-D52 IonicContact NZ-OD1 2.95Å; K48-D52 PolarHBondContact NZ-OD1 3.39Å; K48-D52 IonicContact NZ-OD2 2.65Å; K48-D52 PolarHBondContact NZ-OD2 2.87Å; K48-D52 VanDerWaalsContact O-CG 3.24Å; K48-D52 PolarHBondContact O-N 3.01Å
49V98.7Very high97.7Very high28 Ų2852.6 Ų52.617%0.1726%0.261CS..Hα-helixtrans-67.6-32.3-175.8-640000112.5H45 G46 D52 A53 V297 P299 V308 A312H45-V49 PolarHBondContact O-N 2.85Å; H45-V49 VanDerWaalsContact O-N 3.13Å; G46-V49 VanDerWaalsContact O-CG2 3.28Å; G46-V49 WeakPolarHBondContact O-CG2 3.32Å; G46-V49 PolarHBondContact O-N 3.49Å; V49-D52 PolarHBondContact O-N 2.79Å; V49-A53 WeakPolarHBondContact O-CB 3.27Å; V49-A53 PolarHBondContact O-N 3.01Å; V49-V297 HydrophobicContact CG2-CG1 3.86Å; V49-P299 HydrophobicContact CG1-CB 3.9Å; V49-P299 HydrophobicContact CG1-CG 3.89Å; V49-P299 HydrophobicContact CG2-CB 4.31Å; V49-P299 HydrophobicContact CG2-CG 4.14Å; V49-V308 HydrophobicContact CG1-CG1 4.45Å; V49-A312 HydrophobicContact CB-CB 4.37Å; V49-A312 HydrophobicContact CG2-CB 4.37Å
50I98.9Very high97.6Very high0 Ų048.1 Ų48.10%025%0.249CC..Hα-helixtrans-67-40.3173.5-61.8165.9000110.7G46 K48 A53 L55 L116 M294 V297 A315 V316 I319G46-I50 VanDerWaalsContact O-CG1 3.29Å; G46-I50 WeakPolarHBondContact O-CG1 3.38Å; G46-I50 PolarHBondContact O-N 3.31Å; K48-I50 VanDerWaalsContact C-N 3.31Å; K48-I50 PolarHBondContact O-N 2.94Å; I50-A53 PolarHBondContact O-N 3.44Å; I50-L55 HydrophobicContact CG2-CB 4.44Å; I50-L55 HydrophobicContact CG2-CD2 4.07Å; I50-L116 HydrophobicContact CB-CD1 4.36Å; I50-L116 HydrophobicContact CD1-CD2 4.33Å; I50-L116 HydrophobicContact CG2-CD1 4.2Å; I50-L116 HydrophobicContact CG2-CD2 3.94Å; I50-M294 HydrophobicContact CD1-CG 3.99Å; I50-V297 HydrophobicContact CD1-CB 4.25Å; I50-V297 HydrophobicContact CD1-CG2 3.98Å; I50-V297 HydrophobicContact CG1-CG1 4.45Å; I50-V297 HydrophobicContact CG1-CG2 4.39Å; I50-A315 HydrophobicContact CD1-CB 4.2Å; I50-A315 HydrophobicContact CG1-CB 4.05Å; I50-V316 HydrophobicContact CG2-CG2 3.94Å; I50-V316 WeakPolarHBondContact O-CG2 3.29Å; I50-I319 HydrophobicContact CG2-CD1 4.24Å
51R98.8Very high97.5Very high32 Ų3245.4 Ų45.412%0.12125%0.251CS..Hα-helixtrans-64.2-48173.6-78.7-177179.889.1-8112P47 K48 A53 G54 D68 G70 D71 L116P47-R51 WeakPolarHBondContact O-CG 3.24Å; P47-R51 PolarHBondContact O-N 3.29Å; P47-R51 PolarHBondContact O-NH1 2.79Å; P47-R51 VanDerWaalsContact O-NH1 3.14Å; K48-R51 WeakPolarHBondContact O-CB 3.3Å; K48-R51 PolarHBondContact O-N 3.2Å; K48-R51 VanDerWaalsContact O-N 3.17Å; R51-A53 PolarHBondContact O-N 3.24Å; R51-G54 PolarHBondContact O-N 2.92Å; R51-D68 IonicContact CZ-OD1 3.4Å; R51-D68 IonicContact CZ-OD2 2.92Å; R51-D68 IonicContact NE-OD1 2.75Å; R51-D68 PolarHBondContact NE-OD1 2.98Å; R51-D68 IonicContact NE-OD2 3.33Å; R51-D68 PolarHBondContact NE-OD2 2.95Å; R51-D68 IonicContact NH2-OD1 3.99Å; R51-D68 PolarHBondContact NH2-OD1 3.5Å; R51-D68 IonicContact NH2-OD2 3.47Å; R51-G70 PolarHBondContact NH2-O 3.08Å; R51-D71 IonicContact CZ-OD1 3.87Å; R51-D71 IonicContact NH1-OD1 3.95Å; R51-D71 PolarHBondContact NH1-OD1 3.07Å; R51-D71 IonicContact NH2-OD1 3.78Å; R51-D71 PolarHBondContact NH2-OD1 2.96Å; R51-L116 HydrophobicContact CG-CD1 3.95Å
52D98.6Very high97.3Very high108 Ų10845.2 Ų45.258%0.57824%0.239SC*.Hα-helixtrans-61.9-25-180-66.5-16.5000112K48 V49 G54K48-D52 WeakPolarHBondContact CE-OD2 3.37Å; K48-D52 WeakPolarHBondContact CG-OD2 3.4Å; K48-D52 IonicContact NZ-OD1 2.95Å; K48-D52 PolarHBondContact NZ-OD1 3.39Å; K48-D52 IonicContact NZ-OD2 2.65Å; K48-D52 PolarHBondContact NZ-OD2 2.87Å; K48-D52 VanDerWaalsContact O-CG 3.24Å; K48-D52 PolarHBondContact O-N 3.01Å; V49-D52 PolarHBondContact O-N 2.79Å; D52-G54 PolarHBondContact O-N 3.09Å
53A98.6Very high96.7Very high38 Ų3852.2 Ų52.231%0.31428%0.276SS..THydrogen-bonded Turntrans-74.45172.500000114.2V49 I50 R51 A312 V316V49-A53 WeakPolarHBondContact O-CB 3.27Å; V49-A53 PolarHBondContact O-N 3.01Å; I50-A53 PolarHBondContact O-N 3.44Å; R51-A53 PolarHBondContact O-N 3.24Å; A53-A312 HydrophobicContact CB-CB 3.99Å; A53-V316 HydrophobicContact CB-CG2 3.87Å
54G98.3Very high96.3Very high21 Ų2153.3 Ų53.322%0.21628%0.281CS..THydrogen-bonded Turntrans91.226.4170.700000114.9R51 D52 I56 E57 R58R51-G54 PolarHBondContact O-N 2.92Å; D52-G54 PolarHBondContact O-N 3.09Å; G54-I56 VanDerWaalsContact C-N 3.34Å; G54-I56 PolarHBondContact O-N 2.93Å; G54-E57 WeakPolarHBondContact CA-OE2 3.42Å; G54-R58 VanDerWaalsContact O-CB 3.29Å; G54-R58 WeakPolarHBondContact O-CB 3.43Å; G54-R58 PolarHBondContact O-N 3.13Å
55L98.4Very high96.1Very high0 Ų053.3 Ų53.30%029%0.287CS..Hα-helixtrans-56.4-46.2-178.5178.864.1000112.5I29 I50 R58 L59 V114 L116 V316 I319I29-L55 HydrophobicContact CD1-CD2 4.15Å; I29-L55 HydrophobicContact CD1-CG 4.41Å; I29-L55 HydrophobicContact CG2-CD2 4.49Å; I50-L55 HydrophobicContact CG2-CB 4.44Å; I50-L55 HydrophobicContact CG2-CD2 4.07Å; L55-R58 PolarHBondContact O-N 3.17Å; L55-L59 HydrophobicContact CD1-CD1 3.96Å; L55-L59 HydrophobicContact CD1-CG 4.01Å; L55-L59 HydrophobicContact CG-CD1 4.18Å; L55-L59 HydrophobicContact CG-CG 4.45Å; L55-L59 WeakPolarHBondContact O-CG 3.46Å; L55-L59 PolarHBondContact O-N 3.08Å; L55-V114 HydrophobicContact CD2-CG1 4.49Å; L55-L116 HydrophobicContact CD2-CD1 3.78Å; L55-L116 HydrophobicContact CD2-CD2 3.82Å; L55-L116 HydrophobicContact CD2-CG 4.31Å; L55-V316 HydrophobicContact CB-CG2 4.08Å; L55-V316 HydrophobicContact CD1-CG1 4.26Å; L55-V316 HydrophobicContact CD1-CG2 4.41Å; L55-I319 HydrophobicContact CD1-CB 4.04Å; L55-I319 HydrophobicContact CD1-CD1 3.98Å; L55-I319 HydrophobicContact CD1-CG2 3.81Å; L55-I319 HydrophobicContact CD2-CD1 4.21Å
56I97.4Very high96Very high50 Ų5050.3 Ų50.326%0.25628%0.275SS..Hα-helixtrans-66.8-45.6-172.7-62.3172000110.1I29 G54 R58 L59 S60 V66 D68I29-I56 HydrophobicContact CD1-CG1 3.97Å; G54-I56 VanDerWaalsContact C-N 3.34Å; G54-I56 PolarHBondContact O-N 2.93Å; I56-R58 VanDerWaalsContact C-N 3.32Å; I56-L59 PolarHBondContact O-N 3.3Å; I56-S60 WeakPolarHBondContact O-CB 3.33Å; I56-S60 PolarHBondContact O-N 3.44Å; I56-S60 PolarHBondContact O-OG 3.49Å; I56-V66 HydrophobicContact CG2-CG1 4.31Å; I56-D68 HydrophobicContact CD1-CB 4.24Å; I56-D68 WeakPolarHBondContact CD1-OD2 3.4Å
57E96.2Very high96Very high129 Ų12953.8 Ų53.860%0.60329%0.291SS*.Hα-helixtrans-62.3-43.1176.7-64.173.3-162.400110.4G54 S60 S61G54-E57 WeakPolarHBondContact CA-OE2 3.42Å; E57-S60 PolarHBondContact O-N 2.95Å; E57-S61 PolarHBondContact O-N 3.47Å; E57-S61 VanDerWaalsContact O-N 3.08Å
58R96Very high95.9Very high100 Ų10056.9 Ų56.938%0.37731%0.308SS..Hα-helixtrans-60.1-49.9177.5-174.86972.4167.16.5111.5G54 L55 I56 S60 S61 V316 A320G54-R58 VanDerWaalsContact O-CB 3.29Å; G54-R58 WeakPolarHBondContact O-CB 3.43Å; G54-R58 PolarHBondContact O-N 3.13Å; L55-R58 PolarHBondContact O-N 3.17Å; I56-R58 VanDerWaalsContact C-N 3.32Å; R58-S60 PolarHBondContact O-N 2.63Å; R58-S61 PolarHBondContact O-N 3.43Å; R58-S61 PolarHBondContact O-OG 3.08Å; R58-V316 HydrophobicContact CB-CG1 4.21Å; R58-V316 HydrophobicContact CG-CG1 4.23Å; R58-A320 HydrophobicContact CG-CB 3.58Å
59L95Very high95.9Very high0 Ų057.2 Ų57.20%031%0.309CS..Hα-helixtrans-68.4-35-179.6-65.2-174.8000112.7V27 I29 L55 I56 S61 L62 V66 I319 A320 L323V27-L59 HydrophobicContact CG1-CD1 4.11Å; I29-L59 HydrophobicContact CD1-CD1 4.2Å; L55-L59 HydrophobicContact CD1-CD1 3.96Å; L55-L59 HydrophobicContact CD1-CG 4.01Å; L55-L59 HydrophobicContact CG-CD1 4.18Å; L55-L59 HydrophobicContact CG-CG 4.45Å; L55-L59 WeakPolarHBondContact O-CG 3.46Å; L55-L59 PolarHBondContact O-N 3.08Å; I56-L59 PolarHBondContact O-N 3.3Å; L59-S61 PolarHBondContact O-N 3.17Å; L59-L62 HydrophobicContact CD2-CD1 4.22Å; L59-L62 PolarHBondContact O-N 3.37Å; L59-L62 VanDerWaalsContact O-N 3.09Å; L59-V66 HydrophobicContact CB-CG2 3.72Å; L59-I319 HydrophobicContact CD1-CG2 4.32Å; L59-I319 HydrophobicContact CD2-CG2 4.37Å; L59-A320 HydrophobicContact CD2-CB 4.31Å; L59-L323 HydrophobicContact CD1-CD1 3.97Å; L59-L323 HydrophobicContact CD2-CB 4.25Å; L59-L323 HydrophobicContact CD2-CD1 3.56Å; L59-L323 HydrophobicContact CG-CD1 4.4Å
60S93.4Very high95.9Very high60 Ų6057 Ų5742%0.4231%0.313SS..Hα-helixtrans-63.8-29.3174.7-57.80000112I56 E57 R58 L62I56-S60 WeakPolarHBondContact O-CB 3.33Å; I56-S60 PolarHBondContact O-N 3.44Å; I56-S60 PolarHBondContact O-OG 3.49Å; E57-S60 PolarHBondContact O-N 2.95Å; R58-S60 PolarHBondContact O-N 2.63Å; S60-L62 PolarHBondContact O-N 2.89Å
61S93.3Very high95.9Very high80 Ų8060.9 Ų60.956%0.55933%0.334SS*.THydrogen-bonded Turntrans-74.2-10.1175.777.60000114.5E57 R58 L59E57-S61 PolarHBondContact O-N 3.47Å; E57-S61 VanDerWaalsContact O-N 3.08Å; R58-S61 PolarHBondContact O-N 3.43Å; R58-S61 PolarHBondContact O-OG 3.08Å; L59-S61 PolarHBondContact O-N 3.17Å
62L90.8Very high95.9Very high38 Ų3860.8 Ų60.820%0.19934%0.335CS..THydrogen-bonded Turntrans-98.622.2177.2-61175.1000112.7L59 S60 Y64 A320 Q325L59-L62 HydrophobicContact CD2-CD1 4.22Å; L59-L62 PolarHBondContact O-N 3.37Å; L59-L62 VanDerWaalsContact O-N 3.09Å; S60-L62 PolarHBondContact O-N 2.89Å; L62-Y64 HydrophobicContact CB-CD2 3.73Å; L62-Y64 HydrophobicContact CB-CE2 3.91Å; L62-Y64 VanDerWaalsContact O-CD2 3.31Å; L62-Y64 WeakPolarHBondContact O-CD2 3.23Å; L62-Y64 PolarHBondContact O-N 3.06Å; L62-A320 HydrophobicContact CD1-CB 4.3Å; L62-Q325 HydrophobicContact CD1-CB 4.1Å; L62-Q325 HydrophobicContact CD2-CB 4.03Å
63D85.9Confident95.8Very high151 Ų15159.2 Ų59.281%0.80733%0.333SS*.THydrogen-bonded Turntrans60.320.2-179.5-62.9-43.5000115.6
64Y90Very high95.7Very high23 Ų2358.8 Ų58.89%0.0932%0.324CS..  trans-81.9142.8171-72.6-91.3000112Q25 V27 L62 V66 L323Q25-Y64 HydrophobicContact CB-CD1 3.54Å; Q25-Y64 HydrophobicContact CB-CE1 3.42Å; Q25-Y64 VanDerWaalsContact CB-CE1 3.42Å; Q25-Y64 HydrophobicContact CG-CE1 4.38Å; Q25-Y64 WeakPolarHBondContact O-CA 2.99Å; Q25-Y64 PolarHBondContact OE1-OH 2.83Å; V27-Y64 HydrophobicContact CG2-CD1 3.4Å; V27-Y64 HydrophobicContact CG2-CE1 3.84Å; V27-Y64 HydrophobicContact CG2-CG 3.91Å; L62-Y64 HydrophobicContact CB-CD2 3.73Å; L62-Y64 HydrophobicContact CB-CE2 3.91Å; L62-Y64 VanDerWaalsContact O-CD2 3.31Å; L62-Y64 WeakPolarHBondContact O-CD2 3.23Å; L62-Y64 PolarHBondContact O-N 3.06Å; Y64-V66 PolarHBondContact O-N 2.84Å; Y64-L323 HydrophobicContact CE1-CD2 4.11Å; Y64-L323 HydrophobicContact CE2-CB 3.89Å; Y64-L323 WeakPolarHBondContact CE2-O 3.31Å; Y64-L323 VanDerWaalsContact CZ-O 3.28Å; Y64-L323 PolarHBondContact OH-O 2.93Å
65S94.7Very high95.4Very high56 Ų5665.5 Ų65.539%0.39235%0.35SS..EExtended strand (participates in β ladder)trans-77.8103.5159.9-168.20000109Q25 S26 V27Q25-S65 PolarHBondContact O-N 2.75Å; S26-S65 CarbonylContact C-O 3.54Å; S26-S65 VanDerWaalsContact CA-O 3.26Å; S26-S65 WeakPolarHBondContact CA-O 3.04Å; V27-S65 PolarHBondContact N-O 3.26Å
66V97.1Very high95.2Very high30 Ų3069.6 Ų69.618%0.18237%0.371CS..EExtended strand (participates in β ladder)trans-90.9124.9-177.1-175.50000110.5I29 I56 L59 Y64I29-V66 HydrophobicContact CD1-CG1 3.57Å; I29-V66 HydrophobicContact CG1-CG1 4.17Å; I56-V66 HydrophobicContact CG2-CG1 4.31Å; L59-V66 HydrophobicContact CB-CG2 3.72Å; Y64-V66 PolarHBondContact O-N 2.84Å
67H98Very high94.9Very high74 Ų7469.8 Ų69.834%0.34338%0.376SS..EExtended strand (participates in β ladder)trans-115.3103174-59-77.4000109.4V27 A28 I29 F69 H111V27-H67 PolarHBondContact O-N 2.98Å; A28-H67 CarbonylContact C-O 3.6Å; A28-H67 WeakPolarHBondContact CA-O 3.24Å; I29-H67 PolarHBondContact N-O 3.21Å; H67-F69 HydrophobicContact CB-CD2 4.3Å; H67-F69 HydrophobicContact CB-CE2 3.7Å; H67-F69 HydrophobicContact CB-CZ 4.4Å; H67-F69 WeakPolarHBondContact O-CD2 3.33Å; H67-H111 AromaticContact CD2-CE1 3.35Å; H67-H111 PolarHBondContact CD2-CE1 3.07Å; H67-H111 AromaticContact CD2-ND1 3.74Å; H67-H111 AromaticContact NE2-CE1 3.61Å
68D98.2Very high94.7Very high65 Ų6573.4 Ų73.435%0.34839%0.392SS..EExtended strand (participates in β ladder)trans-85.1113.9171.6-168.5-0.3000110.1I29 R51 I56 G70I29-D68 HydrophobicContact CB-CB 4.47Å; R51-D68 IonicContact CZ-OD1 3.4Å; R51-D68 IonicContact CZ-OD2 2.92Å; R51-D68 IonicContact NE-OD1 2.75Å; R51-D68 PolarHBondContact NE-OD1 2.98Å; R51-D68 IonicContact NE-OD2 3.33Å; R51-D68 PolarHBondContact NE-OD2 2.95Å; R51-D68 IonicContact NH2-OD1 3.99Å; R51-D68 PolarHBondContact NH2-OD1 3.5Å; R51-D68 IonicContact NH2-OD2 3.47Å; I56-D68 HydrophobicContact CD1-CB 4.24Å; I56-D68 WeakPolarHBondContact CD1-OD2 3.4Å; D68-G70 WeakPolarHBondContact OD1-CA 3.41Å; D68-G70 PolarHBondContact OD1-N 3.48Å
69F98.2Very high94.5Very high118 Ų11873.5 Ų73.552%0.51841%0.405SS..EExtended strand (participates in β ladder)trans-874.1176.7-73.1-93.6000112.3A28 I29 L30 H67A28-F69 HydrophobicContact CB-CD2 3.98Å; A28-F69 HydrophobicContact CB-CE2 3.64Å; I29-F69 PolarHBondContact O-N 3.04Å; L30-F69 HydrophobicContact CD2-CB 3.54Å; L30-F69 HydrophobicContact CD2-CD2 4.32Å; L30-F69 HydrophobicContact CD2-CG 4.02Å; H67-F69 HydrophobicContact CB-CD2 4.3Å; H67-F69 HydrophobicContact CB-CE2 3.7Å; H67-F69 HydrophobicContact CB-CZ 4.4Å; H67-F69 WeakPolarHBondContact O-CD2 3.33Å
70G98.4Very high94.5Very high25 Ų2574.6 Ų74.626%0.25841%0.41SS..EExtended strand (participates in β ladder)trans70.4-159.6-179.200000112.6G31 R51 D68G31-G70 PolarHBondContact N-O 2.63Å; R51-G70 PolarHBondContact NH2-O 3.08Å; D68-G70 WeakPolarHBondContact OD1-CA 3.41Å; D68-G70 PolarHBondContact OD1-N 3.48Å
71D98.8Very high94.6Very high81 Ų8178.1 Ų78.143%0.43342%0.42SS..EExtended strand (participates in β ladder)trans-96.4130.8-177.9-70.9-7000111.4G31 P33 R51 S73G31-D71 WeakPolarHBondContact CA-OD1 3.43Å; P33-D71 HydrophobicContact CG-CB 3.96Å; R51-D71 IonicContact CZ-OD1 3.87Å; R51-D71 IonicContact NH1-OD1 3.95Å; R51-D71 PolarHBondContact NH1-OD1 3.07Å; R51-D71 IonicContact NH2-OD1 3.78Å; R51-D71 PolarHBondContact NH2-OD1 2.96Å; D71-S73 PolarHBondContact O-N 2.99Å
72L98.4Very high94.8Very high29 Ų2977.9 Ų77.915%0.15242%0.417CS..PPolyproline II helixtrans-67.6130.4172.3-65.5178.2000110.3G31 F74 L99 A102G31-L72 PolarHBondContact O-N 3.28Å; L72-F74 HydrophobicContact CB-CE1 4.03Å; L72-F74 HydrophobicContact CB-CE2 4.21Å; L72-F74 HydrophobicContact CB-CZ 3.74Å; L72-F74 HydrophobicContact CD1-CE1 4.23Å; L72-F74 HydrophobicContact CD1-CZ 4.11Å; L72-L99 HydrophobicContact CD1-CB 4.29Å; L72-L99 HydrophobicContact CD1-CD1 3.69Å; L72-A102 HydrophobicContact CD1-CB 4.06Å; L72-A102 HydrophobicContact CD2-CB 4.14Å
73S97.8Very high95Very high76 Ų7679 Ų7953%0.53142%0.421SS..PPolyproline II helixtrans-85.4121.9169.4178.50000110.5D71 K98D71-S73 PolarHBondContact O-N 2.99Å; S73-K98 WeakPolarHBondContact O-CD 3.4Å; S73-K98 VanDerWaalsContact O-CE 3.29Å; S73-K98 WeakPolarHBondContact O-CE 3.45Å; S73-K98 PolarHBondContact O-NZ 3.22Å
74F96.5Very high95.4Very high28 Ų2876.4 Ų76.412%0.12341%0.405CS..PPolyproline II helixtrans-99.5128.2176.9-57.8-67.6000110.8A32 F34 L72 L76 A95 K98 L122A32-F74 HydrophobicContact CB-CE2 4.28Å; A32-F74 HydrophobicContact CB-CZ 3.99Å; F34-F74 HydrophobicContact CB-CD2 3.95Å; F34-F74 HydrophobicContact CB-CE2 3.8Å; F34-F74 HydrophobicContact CD2-CB 4.4Å; F34-F74 AromaticContact CD2-CD2 4Å; F34-F74 HydrophobicContact CD2-CD2 4Å; F34-F74 HydrophobicContact CD2-CG 4.22Å; F34-F74 HydrophobicContact CG-CD2 4.41Å; L72-F74 HydrophobicContact CB-CE1 4.03Å; L72-F74 HydrophobicContact CB-CE2 4.21Å; L72-F74 HydrophobicContact CB-CZ 3.74Å; L72-F74 HydrophobicContact CD1-CE1 4.23Å; L72-F74 HydrophobicContact CD1-CZ 4.11Å; F74-L76 PolarHBondContact O-N 3.05Å; F74-A95 HydrophobicContact CB-CB 4.41Å; F74-A95 HydrophobicContact CD1-CB 3.56Å; F74-A95 HydrophobicContact CE1-CB 3.9Å; F74-A95 WeakPolarHBondContact CE1-O 3.29Å; F74-A95 HydrophobicContact CG-CB 3.96Å; F74-K98 HydrophobicContact CD1-CD 4.37Å; F74-K98 HydrophobicContact CE1-CB 4.49Å; F74-L122 HydrophobicContact CZ-CD2 4.48Å
75H91.1Very high95.5Very high163 Ų16378.5 Ų78.576%0.75542%0.418SS*.  trans-85112.9172.5-65-65000108.8
76L93.2Very high95.6Very high85 Ų8575.9 Ų75.945%0.44540%0.399SS..  trans-86.9136.1174.1-56.5-179.2000109.1F34 K36 F74F34-L76 HydrophobicContact CE2-CD2 4.01Å; K36-L76 HydrophobicContact CG-CD1 4.36Å; K36-L76 HydrophobicContact CG-CD2 4.26Å; F74-L76 PolarHBondContact O-N 3.05Å
77P92.7Very high95.7Very high55 Ų5577.2 Ų77.236%0.35740%0.403SS..  trans-63.615217131-37.1000110.4T79 D80 R90 S91P77-T79 PolarHBondContact O-N 2.63Å; P77-D80 HydrophobicContact CG-CB 3.91Å; P77-R90 HydrophobicContact CG-CB 4.32Å; P77-S91 WeakPolarHBondContact CD-OG 3.44Å
78E90.3Very high95.6Very high204 Ų20475.2 Ų75.295%0.95340%0.397SS*.SBendtrans-59.8-34.9177.5-67.5-178.3173.300112.4
79T92.2Very high95.6Very high103 Ų10372.1 Ų72.163%0.63238%0.38SS*.  trans-132.1137.8175.453.50000110P77P77-T79 PolarHBondContact O-N 2.63Å
80D96.3Very high95.6Very high22 Ų2271.3 Ų71.312%0.11837%0.374CS..  trans-143.868.5176.9-161.58000110.8P77 S88 P89 R90 S91P77-D80 HydrophobicContact CG-CB 3.91Å; D80-S88 WeakPolarHBondContact OD2-CA 3.41Å; D80-S88 VanDerWaalsContact OD2-O 3.08Å; D80-P89 WeakPolarHBondContact OD1-CD 3.14Å; D80-R90 VanDerWaalsContact OD1-CB 3.24Å; D80-R90 WeakPolarHBondContact OD1-CB 3.32Å; D80-R90 WeakPolarHBondContact OD1-CD 3.34Å; D80-R90 VanDerWaalsContact OD1-CG 3.3Å; D80-R90 WeakPolarHBondContact OD1-CG 3.37Å; D80-R90 IonicContact OD1-CZ 3.31Å; D80-R90 PolarHBondContact OD1-N 2.94Å; D80-R90 VanDerWaalsContact OD1-N 3.14Å; D80-R90 IonicContact OD1-NH1 3.26Å; D80-R90 PolarHBondContact OD1-NH1 3.24Å; D80-R90 PolarHBondContact OD2-N 3.42Å; D80-R90 VanDerWaalsContact OD2-N 3.12Å; D80-S91 VanDerWaalsContact OD2-CB 3.26Å; D80-S91 WeakPolarHBondContact OD2-CB 3.35Å; D80-S91 PolarHBondContact OD2-N 3.04Å; D80-S91 PolarHBondContact OD2-OG 3.26Å
81E95.2Very high95.6Very high134 Ų13470.5 Ų70.563%0.62636%0.364SS*.  trans-57.6139.3179.2-66.5-55.3141.800110.9R90E81-R90 PolarHBondContact O-NH1 2.78Å; E81-R90 VanDerWaalsContact O-NH1 3.1Å
82P96.4Very high95.6Very high76 Ų7666.6 Ų66.649%0.49434%0.343SS..  trans-50.6145.6174.2-26.134.2000112V86P82-V86 CarbonylContact C-O 3.53Å; P82-V86 WeakPolarHBondContact CA-O 3.27Å; P82-V86 WeakPolarHBondContact CB-O 3.33Å
83H96.1Very high95.6Very high61 Ų6165.2 Ų65.228%0.28234%0.336SS..BIsolated β-bridgetrans-118.5113.7174.2-175.675.4000109.1N85 V86 P89 P179H83-N85 PolarHBondContact O-N 2.78Å; H83-V86 PolarHBondContact N-O 2.87Å; H83-V86 VanDerWaalsContact O-CB 3.32Å; H83-V86 WeakPolarHBondContact O-CB 3.46Å; H83-V86 PolarHBondContact O-N 2.87Å; H83-P89 HydrophobicContact CB-CG 3.95Å; H83-P179 HydrophobicContact CB-CG 4.15Å; H83-P179 VanDerWaalsContact CD2-CD 3.45Å; H83-P179 WeakPolarHBondContact CD2-CD 3.31Å; H83-P179 VanDerWaalsContact CG-CD 3.47Å
84M94.1Very high95.7Very high96 Ų9663.2 Ų63.247%0.47333%0.327SS..THydrogen-bonded Turntrans54.8-126.8-164.7-53.8176.4-7000109.8V86 P151 M152 P176 I178M84-V86 VanDerWaalsContact C-N 3.35Å; M84-P151 HydrophobicContact CE-CB 4.34Å; M84-M152 HydrophobicContact SD-SD 4.49Å; M84-P176 HydrophobicContact CE-CB 3.76Å; M84-P176 HydrophobicContact CE-CG 3.24Å; M84-P176 HydrophobicContact SD-CB 4.37Å; M84-P176 HydrophobicContact SD-CG 4.16Å; M84-I178 HydrophobicContact CE-CD1 3.3Å
85N92.4Very high95.8Very high68 Ų6862 Ų6236%0.36432%0.323SS..THydrogen-bonded Turntrans-83.3-10.7174-161.927.6000113H83 K87 S154 G157H83-N85 PolarHBondContact O-N 2.78Å; N85-K87 PolarHBondContact O-N 2.84Å; N85-S154 PolarHBondContact ND2-O 3.41Å; N85-G157 PolarHBondContact ND2-N 3.47Å; N85-G157 WeakPolarHBondContact O-CA 3.2Å
86V97.2Very high96.2Very high0 Ų054.3 Ų54.30%029%0.287CS..BIsolated β-bridgetrans-78.1125.9-171.5-175.10000111.3P82 H83 M84 P89 P151 L159 I178P82-V86 CarbonylContact C-O 3.53Å; P82-V86 WeakPolarHBondContact CA-O 3.27Å; P82-V86 WeakPolarHBondContact CB-O 3.33Å; H83-V86 PolarHBondContact N-O 2.87Å; H83-V86 VanDerWaalsContact O-CB 3.32Å; H83-V86 WeakPolarHBondContact O-CB 3.46Å; H83-V86 PolarHBondContact O-N 2.87Å; M84-V86 VanDerWaalsContact C-N 3.35Å; V86-P89 HydrophobicContact CG1-CB 3.96Å; V86-P151 HydrophobicContact CG2-CB 3.55Å; V86-P151 HydrophobicContact CG2-CG 3.87Å; V86-L159 HydrophobicContact CG1-CD1 3.5Å; V86-L159 VanDerWaalsContact CG1-CD1 3.5Å; V86-L159 HydrophobicContact CG1-CD2 3.63Å; V86-L159 HydrophobicContact CG1-CG 3.53Å; V86-I178 HydrophobicContact CG1-CG2 4.31Å; V86-I178 HydrophobicContact CG2-CD1 3.93Å
87K97.5Very high96.4Very high59 Ų5953.3 Ų53.326%0.25728%0.28SS..SBendtrans-92.9141.5178.8-67.2169.5-175.1154.90111.9N85 P89 S156 G157 N158N85-K87 PolarHBondContact O-N 2.84Å; K87-P89 VanDerWaalsContact C-N 3.31Å; K87-S156 WeakPolarHBondContact CE-O 3.35Å; K87-S156 PolarHBondContact NZ-O 3.35Å; K87-G157 PolarHBondContact N-O 3.1Å; K87-N158 PolarHBondContact NZ-OD1 3.24Å
88S97.5Very high96.7Very high31 Ų3154.4 Ų54.422%0.21728%0.279CS..SBendtrans45.845.2178.4-58.90000115D80 R90 S91 V92D80-S88 WeakPolarHBondContact OD2-CA 3.41Å; D80-S88 VanDerWaalsContact OD2-O 3.08Å; S88-R90 VanDerWaalsContact C-N 3.34Å; S88-R90 PolarHBondContact O-N 3.29Å; S88-S91 PolarHBondContact O-N 3.42Å; S88-V92 WeakPolarHBondContact O-CG2 3.39Å; S88-V92 PolarHBondContact O-N 3.44Å; S88-V92 VanDerWaalsContact O-N 3.08Å
89P98Very high97.1Very high0 Ų044.7 Ų44.70%023%0.234CC..Hα-helixtrans-62.4-37.4-17126.6-35.6000113.3D80 H83 V86 K87 G93 I178 P179 F181D80-P89 WeakPolarHBondContact OD1-CD 3.14Å; H83-P89 HydrophobicContact CB-CG 3.95Å; V86-P89 HydrophobicContact CG1-CB 3.96Å; K87-P89 VanDerWaalsContact C-N 3.31Å; P89-G93 PolarHBondContact O-N 3.48Å; P89-I178 HydrophobicContact CB-CG2 3.5Å; P89-P179 CarbonylContact C-O 3.3Å; P89-F181 VanDerWaalsContact O-CE2 3.27Å; P89-F181 WeakPolarHBondContact O-CE2 3.18Å
90R98.3Very high97.4Very high102 Ų10239.8 Ų39.839%0.38520%0.204SC..Hα-helixtrans-72.9-37.3-177.5-59.2169.5-172.176.4-1.4111.3P77 D80 E81 S88 G94 P179P77-R90 HydrophobicContact CG-CB 4.32Å; D80-R90 VanDerWaalsContact OD1-CB 3.24Å; D80-R90 WeakPolarHBondContact OD1-CB 3.32Å; D80-R90 WeakPolarHBondContact OD1-CD 3.34Å; D80-R90 VanDerWaalsContact OD1-CG 3.3Å; D80-R90 WeakPolarHBondContact OD1-CG 3.37Å; D80-R90 IonicContact OD1-CZ 3.31Å; D80-R90 PolarHBondContact OD1-N 2.94Å; D80-R90 VanDerWaalsContact OD1-N 3.14Å; D80-R90 IonicContact OD1-NH1 3.26Å; D80-R90 PolarHBondContact OD1-NH1 3.24Å; D80-R90 PolarHBondContact OD2-N 3.42Å; D80-R90 VanDerWaalsContact OD2-N 3.12Å; E81-R90 PolarHBondContact O-NH1 2.78Å; E81-R90 VanDerWaalsContact O-NH1 3.1Å; S88-R90 VanDerWaalsContact C-N 3.34Å; S88-R90 PolarHBondContact O-N 3.29Å; R90-G94 PolarHBondContact O-N 3.02Å; R90-P179 HydrophobicContact CG-CB 3.88Å
91S98.5Very high97.6Very high7 Ų745.2 Ų45.25%0.04922%0.223CC..Hα-helixtrans-62.4-50.6176.2-57.40000110.5P77 D80 S88 A95P77-S91 WeakPolarHBondContact CD-OG 3.44Å; D80-S91 VanDerWaalsContact OD2-CB 3.26Å; D80-S91 WeakPolarHBondContact OD2-CB 3.35Å; D80-S91 PolarHBondContact OD2-N 3.04Å; D80-S91 PolarHBondContact OD2-OG 3.26Å; S88-S91 PolarHBondContact O-N 3.42Å; S91-A95 WeakPolarHBondContact O-CB 3.35Å; S91-A95 PolarHBondContact O-N 2.94Å
92V98.6Very high97.7Very high0 Ų039.8 Ų39.80%020%0.201CC..Hα-helixtrans-66-45.5179.4-179.20000110.9F34 K36 S88 G94 A95 N96 S121 L159 F181F34-V92 HydrophobicContact CE1-CB 4.33Å; F34-V92 HydrophobicContact CE1-CG1 4.43Å; F34-V92 HydrophobicContact CE1-CG2 3.82Å; F34-V92 HydrophobicContact CZ-CB 4.18Å; F34-V92 HydrophobicContact CZ-CG2 3.75Å; K36-V92 HydrophobicContact CB-CG2 4.42Å; S88-V92 WeakPolarHBondContact O-CG2 3.39Å; S88-V92 PolarHBondContact O-N 3.44Å; S88-V92 VanDerWaalsContact O-N 3.08Å; V92-G94 PolarHBondContact O-N 3.38Å; V92-A95 PolarHBondContact O-N 3.33Å; V92-N96 WeakPolarHBondContact CG1-ND2 3.41Å; V92-N96 WeakPolarHBondContact O-CB 3.49Å; V92-N96 PolarHBondContact O-N 2.91Å; V92-N96 PolarHBondContact O-ND2 2.73Å; V92-S121 WeakPolarHBondContact CG1-OG 3.37Å; V92-L159 HydrophobicContact CB-CD1 3.57Å; V92-L159 HydrophobicContact CG1-CB 4.12Å; V92-L159 HydrophobicContact CG1-CD1 3.79Å; V92-L159 HydrophobicContact CG2-CB 4.24Å; V92-L159 HydrophobicContact CG2-CD1 3.62Å; V92-F181 HydrophobicContact CB-CZ 4.16Å; V92-F181 HydrophobicContact CG1-CZ 3.86Å
93G98.6Very high97.8Very high0 Ų036.2 Ų36.20%018%0.177CC..Hα-helixtrans-61.2-44.117800000113P89 Q97 G180 W183P89-G93 PolarHBondContact O-N 3.48Å; G93-Q97 WeakPolarHBondContact O-CB 3.43Å; G93-Q97 PolarHBondContact O-N 3.21Å; G93-G180 CarbonylContact C-O 3.48Å; G93-G180 VanDerWaalsContact CA-O 3.28Å; G93-G180 WeakPolarHBondContact CA-O 3.48Å; G93-W183 PolarHBondContact O-NE1 2.64Å
94G98.6Very high98Very high33 Ų3333.8 Ų33.834%0.3417%0.167SC..Hα-helixtrans-67.7-4117800000113.4R90 V92 Q97 K98R90-G94 PolarHBondContact O-N 3.02Å; V92-G94 PolarHBondContact O-N 3.38Å; G94-Q97 PolarHBondContact O-N 3.22Å; G94-K98 PolarHBondContact O-N 2.84Å; G94-K98 VanDerWaalsContact O-N 3.11Å
95A98.8Very high98.2Very high4 Ų438.4 Ų38.43%0.03318%0.18CC..Hα-helixtrans-61.7-47.7175.300000111.3F34 F74 S91 V92 Q97 K98 L99F34-A95 HydrophobicContact CD2-CB 3.66Å; F34-A95 HydrophobicContact CE1-CB 4.42Å; F34-A95 HydrophobicContact CE2-CB 3.47Å; F34-A95 VanDerWaalsContact CE2-CB 3.47Å; F34-A95 HydrophobicContact CG-CB 4.22Å; F34-A95 HydrophobicContact CZ-CB 3.88Å; F74-A95 HydrophobicContact CB-CB 4.41Å; F74-A95 HydrophobicContact CD1-CB 3.56Å; F74-A95 HydrophobicContact CE1-CB 3.9Å; F74-A95 WeakPolarHBondContact CE1-O 3.29Å; F74-A95 HydrophobicContact CG-CB 3.96Å; S91-A95 WeakPolarHBondContact O-CB 3.35Å; S91-A95 PolarHBondContact O-N 2.94Å; V92-A95 PolarHBondContact O-N 3.33Å; A95-Q97 PolarHBondContact O-N 3.3Å; A95-K98 PolarHBondContact O-N 3.15Å; A95-K98 VanDerWaalsContact O-N 3.16Å; A95-L99 WeakPolarHBondContact O-CB 3.48Å; A95-L99 PolarHBondContact O-N 3.19Å
96N98.9Very high98.5Very high0 Ų035.5 Ų35.50%017%0.165CC..Hα-helixtrans-65.2-35.4177.8-81.7-69.4000113.1V92 K98 L99 S100 S121 L122 I124 G125 W183V92-N96 WeakPolarHBondContact CG1-ND2 3.41Å; V92-N96 WeakPolarHBondContact O-CB 3.49Å; V92-N96 PolarHBondContact O-N 2.91Å; V92-N96 PolarHBondContact O-ND2 2.73Å; N96-K98 VanDerWaalsContact C-N 3.32Å; N96-K98 PolarHBondContact O-N 2.64Å; N96-L99 PolarHBondContact O-N 3.12Å; N96-S100 WeakPolarHBondContact O-CB 3.45Å; N96-S100 PolarHBondContact O-N 3.4Å; N96-S121 PolarHBondContact ND2-O 2.83Å; N96-S121 PolarHBondContact OD1-O 2.99Å; N96-S121 VanDerWaalsContact OD1-O 3.1Å; N96-L122 WeakPolarHBondContact OD1-CA 3.43Å; N96-L122 PolarHBondContact OD1-O 3.35Å; N96-L122 VanDerWaalsContact OD1-O 3.04Å; N96-I124 HydrophobicContact CB-CB 4.34Å; N96-I124 HydrophobicContact CB-CG2 4.4Å; N96-G125 WeakPolarHBondContact O-CA 3.47Å; N96-G125 VanDerWaalsContact OD1-CA 3.27Å; N96-G125 WeakPolarHBondContact OD1-CA 3.41Å; N96-G125 PolarHBondContact OD1-N 3.2Å; N96-W183 VanDerWaalsContact C-CZ2 3.5Å; N96-W183 HydrophobicContact CB-CH2 4.37Å; N96-W183 HydrophobicContact CB-CZ2 3.76Å
97Q98.8Very high98.5Very high64 Ų6436.1 Ų36.130%0.29917%0.169SC..Hα-helixtrans-61.8-42.7173.2-168.1-177.643.100111.4G93 G94 A95 R101 W183G93-Q97 WeakPolarHBondContact O-CB 3.43Å; G93-Q97 PolarHBondContact O-N 3.21Å; G94-Q97 PolarHBondContact O-N 3.22Å; A95-Q97 PolarHBondContact O-N 3.3Å; Q97-R101 WeakPolarHBondContact O-CG 3.26Å; Q97-R101 PolarHBondContact O-N 3.42Å; Q97-W183 HydrophobicContact CB-CD2 3.77Å; Q97-W183 HydrophobicContact CB-CE3 4.37Å; Q97-W183 HydrophobicContact CB-CG 3.98Å; Q97-W183 HydrophobicContact CB-CZ2 4.13Å; Q97-W183 HydrophobicContact CG-CB 4.2Å; Q97-W183 HydrophobicContact CG-CD2 3.68Å; Q97-W183 HydrophobicContact CG-CE3 4.07Å; Q97-W183 HydrophobicContact CG-CG 3.7Å; Q97-W183 VanDerWaalsContact N-CZ2 3.32Å
98K98.8Very high98.5Very high78 Ų7835.7 Ų35.734%0.33918%0.181SC..Hα-helixtrans-67.1-46.7177.7-176.1169.5-178.1165.90111.2S73 F74 G94 A95 N96 S100 R101 A102S73-K98 WeakPolarHBondContact O-CD 3.4Å; S73-K98 VanDerWaalsContact O-CE 3.29Å; S73-K98 WeakPolarHBondContact O-CE 3.45Å; S73-K98 PolarHBondContact O-NZ 3.22Å; F74-K98 HydrophobicContact CD1-CD 4.37Å; F74-K98 HydrophobicContact CE1-CB 4.49Å; G94-K98 PolarHBondContact O-N 2.84Å; G94-K98 VanDerWaalsContact O-N 3.11Å; A95-K98 PolarHBondContact O-N 3.15Å; A95-K98 VanDerWaalsContact O-N 3.16Å; N96-K98 VanDerWaalsContact C-N 3.32Å; N96-K98 PolarHBondContact O-N 2.64Å; K98-S100 PolarHBondContact O-N 3.17Å; K98-R101 PolarHBondContact O-N 3.06Å; K98-A102 PolarHBondContact O-N 2.79Å
99L98.9Very high98.5Very high0 Ų037.4 Ų37.40%020%0.197CC..Hα-helixtrans-59.7-44.9177.5177.259.8000111.4A32 L72 A95 N96 R101 A102 V103 M115 L122A32-L99 HydrophobicContact CB-CD1 4.34Å; A32-L99 HydrophobicContact CB-CD2 4.4Å; L72-L99 HydrophobicContact CD1-CB 4.29Å; L72-L99 HydrophobicContact CD1-CD1 3.69Å; A95-L99 WeakPolarHBondContact O-CB 3.48Å; A95-L99 PolarHBondContact O-N 3.19Å; N96-L99 PolarHBondContact O-N 3.12Å; L99-R101 VanDerWaalsContact C-N 3.27Å; L99-R101 PolarHBondContact O-N 3.1Å; L99-A102 WeakPolarHBondContact O-CA 3.27Å; L99-A102 WeakPolarHBondContact O-CB 3.32Å; L99-A102 PolarHBondContact O-N 3.11Å; L99-V103 HydrophobicContact CD1-CG2 3.83Å; L99-V103 HydrophobicContact CG-CG2 4.25Å; L99-V103 PolarHBondContact O-N 3.2Å; L99-M115 HydrophobicContact CD1-CG 4.07Å; L99-M115 HydrophobicContact CD2-CG 4.41Å; L99-L122 HydrophobicContact CD2-CB 3.88Å; L99-L122 HydrophobicContact CD2-CD2 3.94Å; L99-L122 HydrophobicContact CD2-CG 4.47Å; L99-L122 WeakPolarHBondContact CD2-O 3.47Å
100S98.9Very high98.4Very high1 Ų140.2 Ų40.21%0.00723%0.225CC..Hα-helixtrans-56-41178.11790000112.7N96 K98 S104 G125 G129 Q132N96-S100 WeakPolarHBondContact O-CB 3.45Å; N96-S100 PolarHBondContact O-N 3.4Å; K98-S100 PolarHBondContact O-N 3.17Å; S100-S104 WeakPolarHBondContact O-CB 3.37Å; S100-S104 PolarHBondContact O-N 2.92Å; S100-G125 WeakPolarHBondContact CA-O 3.07Å; S100-G125 VanDerWaalsContact CB-O 3.28Å; S100-G125 WeakPolarHBondContact CB-O 3.15Å; S100-G129 WeakPolarHBondContact O-CA 3.02Å; S100-G129 VanDerWaalsContact OG-CA 3.31Å; S100-G129 WeakPolarHBondContact OG-CA 3.45Å; S100-G129 PolarHBondContact OG-N 2.86Å; S100-G129 VanDerWaalsContact OG-N 3.16Å; S100-Q132 PolarHBondContact OG-NE2 3.31Å
101R98.8Very high98.4Very high136 Ų13636.7 Ų36.751%0.51321%0.213SC..Hα-helixtrans-67.1-37.7175.5-66.6172.2-174.4171.25.2112.3Q97 K98 L99 R105Q97-R101 WeakPolarHBondContact O-CG 3.26Å; Q97-R101 PolarHBondContact O-N 3.42Å; K98-R101 PolarHBondContact O-N 3.06Å; L99-R101 VanDerWaalsContact C-N 3.27Å; L99-R101 PolarHBondContact O-N 3.1Å; R101-R105 VanDerWaalsContact O-CG 3.24Å; R101-R105 WeakPolarHBondContact O-CG 3.38Å; R101-R105 PolarHBondContact O-N 2.84Å
102A98.8Very high98.4Very high20 Ų2037.6 Ų37.617%0.16522%0.219CC..Hα-helixtrans-67.5-48.4178.400000111.2L30 L72 K98 L99 R105 A106L30-A102 HydrophobicContact CD1-CB 4.38Å; L30-A102 HydrophobicContact CD2-CB 4.39Å; L72-A102 HydrophobicContact CD1-CB 4.06Å; L72-A102 HydrophobicContact CD2-CB 4.14Å; K98-A102 PolarHBondContact O-N 2.79Å; L99-A102 WeakPolarHBondContact O-CA 3.27Å; L99-A102 WeakPolarHBondContact O-CB 3.32Å; L99-A102 PolarHBondContact O-N 3.11Å; A102-R105 PolarHBondContact O-N 3.3Å; A102-A106 PolarHBondContact O-N 3.3Å
103V98.9Very high98.4Very high0 Ų037.7 Ų37.70%022%0.219CC..Hα-helixtrans-63.4-46177.8175.60000111.3L30 L99 R105 A106 V107 V113 S126 H130L30-V103 HydrophobicContact CD1-CG2 3.87Å; L99-V103 HydrophobicContact CD1-CG2 3.83Å; L99-V103 HydrophobicContact CG-CG2 4.25Å; L99-V103 PolarHBondContact O-N 3.2Å; V103-R105 VanDerWaalsContact C-N 3.28Å; V103-R105 PolarHBondContact O-N 3.12Å; V103-A106 PolarHBondContact O-N 2.84Å; V103-A106 VanDerWaalsContact O-N 3.13Å; V103-V107 HydrophobicContact CG1-CG2 4.07Å; V103-V107 WeakPolarHBondContact O-CG2 3.5Å; V103-V107 PolarHBondContact O-N 2.91Å; V103-V113 HydrophobicContact CG1-CG1 4.37Å; V103-V113 HydrophobicContact CG1-CG2 4.47Å; V103-V113 HydrophobicContact CG2-CG1 4.32Å; V103-S126 WeakPolarHBondContact CG1-O 3.47Å; V103-H130 HydrophobicContact CG1-CB 4.25Å
104S98.8Very high98.5Very high10 Ų1037.7 Ų37.77%0.0722%0.219CC..Hα-helixtrans-56.6-40.3177.1-179.30000112.4S100 G108 G129 Q132 Q133S100-S104 WeakPolarHBondContact O-CB 3.37Å; S100-S104 PolarHBondContact O-N 2.92Å; S104-G108 PolarHBondContact O-N 3.19Å; S104-G129 VanDerWaalsContact CA-O 3.3Å; S104-G129 WeakPolarHBondContact CA-O 3.44Å; S104-G129 WeakPolarHBondContact CB-O 3.4Å; S104-Q132 PolarHBondContact OG-OE1 3.07Å; S104-Q133 VanDerWaalsContact O-CG 3.26Å; S104-Q133 WeakPolarHBondContact O-CG 3.36Å; S104-Q133 PolarHBondContact OG-NE2 2.82Å
105R98.7Very high98.5Very high194 Ų19436.1 Ų36.173%0.73220%0.203SC*.Hα-helixtrans-67.2-44.4175.2-72.9173.2-170.7-167.91.9112.6R101 A102 V103 G108 A109R101-R105 VanDerWaalsContact O-CG 3.24Å; R101-R105 WeakPolarHBondContact O-CG 3.38Å; R101-R105 PolarHBondContact O-N 2.84Å; A102-R105 PolarHBondContact O-N 3.3Å; V103-R105 VanDerWaalsContact C-N 3.28Å; V103-R105 PolarHBondContact O-N 3.12Å; R105-G108 PolarHBondContact O-N 3.33Å; R105-A109 WeakPolarHBondContact O-CB 3.3Å; R105-A109 PolarHBondContact O-N 2.86Å
106A98.4Very high98.5Very high6 Ų636 Ų365%0.0520%0.202CC..Hα-helixtrans-66-45.6-178.800000111.8A28 L30 A102 V103 A109 H111 V113A28-A106 HydrophobicContact CB-CB 3.87Å; L30-A106 HydrophobicContact CD1-CB 4.34Å; A102-A106 PolarHBondContact O-N 3.3Å; V103-A106 PolarHBondContact O-N 2.84Å; V103-A106 VanDerWaalsContact O-N 3.13Å; A106-A109 PolarHBondContact O-N 3.34Å; A106-H111 WeakPolarHBondContact O-CB 3.42Å; A106-H111 PolarHBondContact O-CD2 3.28Å; A106-H111 PolarHBondContact O-N 3.4Å; A106-V113 HydrophobicContact CB-CG2 3.63Å
107V98.2Very high98.4Very high14 Ų1436 Ų369%0.08520%0.202CC..Hα-helixtrans-62.5-43.9173.6177.90000110.7V103 A109 G110 V113 Q133V103-V107 HydrophobicContact CG1-CG2 4.07Å; V103-V107 WeakPolarHBondContact O-CG2 3.5Å; V103-V107 PolarHBondContact O-N 2.91Å; V107-A109 PolarHBondContact O-N 2.93Å; V107-G110 WeakPolarHBondContact O-CA 3.47Å; V107-G110 PolarHBondContact O-N 3.16Å; V107-V113 HydrophobicContact CG2-CG2 3.6Å; V107-Q133 HydrophobicContact CB-CB 4.22Å; V107-Q133 HydrophobicContact CB-CG 4.13Å; V107-Q133 HydrophobicContact CG1-CB 3.63Å; V107-Q133 HydrophobicContact CG1-CG 4.1Å
108G97.8Very high98.4Very high50 Ų5032.9 Ų32.952%0.51519%0.187SC..Hα-helixtrans-63.5-24.2178.400000113.9S104 R105 G110S104-G108 PolarHBondContact O-N 3.19Å; R105-G108 PolarHBondContact O-N 3.33Å; G108-G110 VanDerWaalsContact C-N 3.26Å
109A97.3Very high98.4Very high67 Ų6729.2 Ų29.255%0.55417%0.171SC*.THydrogen-bonded Turntrans-80.6-3171.800000113.5R105 A106 V107R105-A109 WeakPolarHBondContact O-CB 3.3Å; R105-A109 PolarHBondContact O-N 2.86Å; A106-A109 PolarHBondContact O-N 3.34Å; V107-A109 PolarHBondContact O-N 2.93Å
110G96.2Very high98.4Very high58 Ų5829.2 Ų29.260%0.59817%0.171SC*.THydrogen-bonded Turntrans8716.317800000114.6V107 G108V107-G110 WeakPolarHBondContact O-CA 3.47Å; V107-G110 PolarHBondContact O-N 3.16Å; G108-G110 VanDerWaalsContact C-N 3.26Å
111H98Very high98.4Very high28 Ų2829.1 Ų29.113%0.1317%0.171CC..PPolyproline II helixtrans-85.7142.9175.4-56.2-55.5000111.5S26 A28 H67 A106S26-H111 WeakPolarHBondContact CB-ND1 3.36Å; S26-H111 WeakPolarHBondContact O-CA 3.5Å; S26-H111 PolarHBondContact OG-ND1 3.41Å; A28-H111 HydrophobicContact CB-CB 3.62Å; H67-H111 AromaticContact CD2-CE1 3.35Å; H67-H111 PolarHBondContact CD2-CE1 3.07Å; H67-H111 AromaticContact CD2-ND1 3.74Å; H67-H111 AromaticContact NE2-CE1 3.61Å; A106-H111 WeakPolarHBondContact O-CB 3.42Å; A106-H111 PolarHBondContact O-CD2 3.28Å; A106-H111 PolarHBondContact O-N 3.4Å
112T98.4Very high98.4Very high27 Ų2722.7 Ų22.717%0.16615%0.146CC..EExtended strand (participates in β ladder)trans-71127155.8-61.90000107.8S26 V27 A28 S290 L323S26-T112 PolarHBondContact O-N 3.26Å; V27-T112 CarbonylContact C-O 3.51Å; V27-T112 VanDerWaalsContact CA-O 3.27Å; V27-T112 WeakPolarHBondContact CA-O 3.41Å; A28-T112 PolarHBondContact N-O 2.84Å; T112-S290 WeakPolarHBondContact CA-O 3.37Å; T112-L323 HydrophobicContact CG2-CD2 3.99Å
113V98.8Very high98.4Very high1 Ų121.7 Ų21.71%0.00614%0.139CC..EExtended strand (participates in β ladder)trans-92.9132.7-175.7175.90000110.9L30 V103 A106 V107 S290 A291 I292L30-V113 HydrophobicContact CD1-CG1 3.85Å; V103-V113 HydrophobicContact CG1-CG1 4.37Å; V103-V113 HydrophobicContact CG1-CG2 4.47Å; V103-V113 HydrophobicContact CG2-CG1 4.32Å; A106-V113 HydrophobicContact CB-CG2 3.63Å; V107-V113 HydrophobicContact CG2-CG2 3.6Å; V113-S290 PolarHBondContact N-O 2.91Å; V113-A291 HydrophobicContact CB-CB 4.17Å; V113-A291 CarbonylContact O-C 3.55Å; V113-A291 VanDerWaalsContact O-CA 3.23Å; V113-A291 WeakPolarHBondContact O-CA 3.19Å; V113-I292 PolarHBondContact O-N 3.02Å
114V98.9Very high98.4Very high1 Ų121.7 Ų21.71%0.00614%0.139CC..EExtended strand (participates in β ladder)trans-113.1107.6166.8176.10000107.4V27 A28 I29 L30 L55 L116 I292 I319 L323V27-V114 HydrophobicContact CG1-CB 4.27Å; V27-V114 HydrophobicContact CG1-CG2 3.54Å; A28-V114 PolarHBondContact O-N 3.11Å; I29-V114 CarbonylContact C-O 3.34Å; I29-V114 WeakPolarHBondContact CA-O 3.26Å; I29-V114 HydrophobicContact CG1-CB 4.35Å; L30-V114 PolarHBondContact N-O 3.48Å; L55-V114 HydrophobicContact CD2-CG1 4.49Å; V114-L116 HydrophobicContact CG1-CD2 3.78Å; V114-L116 HydrophobicContact CG1-CG 4.47Å; V114-I292 HydrophobicContact CB-CG2 4.01Å; V114-I292 HydrophobicContact CG1-CG2 4.1Å; V114-I292 HydrophobicContact CG2-CG2 3.58Å; V114-I319 HydrophobicContact CG1-CD1 4.13Å; V114-I319 HydrophobicContact CG1-CG1 4.47Å; V114-I319 HydrophobicContact CG1-CG2 3.9Å; V114-I319 HydrophobicContact CG2-CG2 4.01Å; V114-L323 HydrophobicContact CG2-CD1 4Å
115M98.9Very high98.4Very high0 Ų021.2 Ų21.20%014%0.135CC..EExtended strand (participates in β ladder)trans-95.2116.6174.8-168.9-80.6-60.200109L30 A32 L99 G117 L122 I292 D293 M294 V295L30-M115 CarbonylContact O-C 3.59Å; L30-M115 WeakPolarHBondContact O-CA 3.45Å; A32-M115 HydrophobicContact CB-CG 4.36Å; A32-M115 HydrophobicContact CB-SD 3.71Å; L99-M115 HydrophobicContact CD1-CG 4.07Å; L99-M115 HydrophobicContact CD2-CG 4.41Å; M115-G117 VanDerWaalsContact SD-CA 3.57Å; M115-L122 HydrophobicContact CE-CB 4.22Å; M115-L122 HydrophobicContact SD-CD1 4.41Å; M115-I292 PolarHBondContact N-O 3.49Å; M115-D293 WeakPolarHBondContact CB-OD1 3.3Å; M115-D293 HydrophobicContact CE-CB 3.46Å; M115-D293 VanDerWaalsContact CE-CB 3.46Å; M115-D293 WeakPolarHBondContact CE-OD1 3.24Å; M115-M294 PolarHBondContact O-N 3.18Å; M115-V295 HydrophobicContact CE-CG1 3.81Å
116L98.9Very high98.4Very high0 Ų012 Ų120%010%0.101CC..EExtended strand (participates in β ladder)trans-91.2111.5172.7-53.4-176.8000107.6I29 L30 A32 P47 I50 R51 L55 V114 M294 I319I29-L116 HydrophobicContact CG2-CD1 3.87Å; I29-L116 HydrophobicContact CG2-CG 4.09Å; L30-L116 PolarHBondContact O-N 2.68Å; A32-L116 PolarHBondContact N-O 2.7Å; P47-L116 HydrophobicContact CB-CB 3.91Å; P47-L116 HydrophobicContact CG-CB 4.33Å; P47-L116 WeakPolarHBondContact CG-O 3.46Å; I50-L116 HydrophobicContact CB-CD1 4.36Å; I50-L116 HydrophobicContact CD1-CD2 4.33Å; I50-L116 HydrophobicContact CG2-CD1 4.2Å; I50-L116 HydrophobicContact CG2-CD2 3.94Å; R51-L116 HydrophobicContact CG-CD1 3.95Å; L55-L116 HydrophobicContact CD2-CD1 3.78Å; L55-L116 HydrophobicContact CD2-CD2 3.82Å; L55-L116 HydrophobicContact CD2-CG 4.31Å; V114-L116 HydrophobicContact CG1-CD2 3.78Å; V114-L116 HydrophobicContact CG1-CG 4.47Å; L116-M294 HydrophobicContact CD2-CB 4.49Å; L116-I319 HydrophobicContact CD2-CD1 3.72Å
117G97.3Very high98.4Very high0 Ų011.8 Ų11.80%010%0.098CC..EExtended strand (participates in β ladder)trans-83.7162.1-170.300000113.8P47 M115 M294P47-G117 VanDerWaalsContact CD-O 3.24Å; P47-G117 WeakPolarHBondContact CD-O 3.46Å; P47-G117 WeakPolarHBondContact CG-O 3.44Å; M115-G117 VanDerWaalsContact SD-CA 3.57Å; G117-M294 PolarHBondContact N-O 2.86Å
118G98.1Very high98.4Very high0 Ų011.4 Ų11.40%010%0.096CC..SBendtrans-89.5-120.9136.800000109.3A32 F34 V43 L122 E296A32-G118 PolarHBondContact O-N 2.9Å; F34-G118 CarbonylContact O-C 3.51Å; F34-G118 VanDerWaalsContact O-CA 3.25Å; F34-G118 WeakPolarHBondContact O-CA 3.48Å; V43-G118 VanDerWaalsContact CG2-C 3.47Å; V43-G118 WeakPolarHBondContact O-CA 3.34Å; G118-L122 VanDerWaalsContact N-CD1 3.32Å; G118-E296 PolarHBondContact O-N 2.98Å
119D98.9Very high98.5Very high0 Ų09 Ų90%07%0.072CC..SBendtrans-72159.1-176.769.767.1000114.8F34 S35 K36 G37 Q38 V43 S121 L122 H160 E296F34-D119 PolarHBondContact O-N 2.89Å; S35-D119 WeakPolarHBondContact CA-OD2 3.48Å; K36-D119 PolarHBondContact N-OD2 2.98Å; G37-D119 WeakPolarHBondContact CA-OD1 3.32Å; G37-D119 WeakPolarHBondContact CA-OD2 3.46Å; G37-D119 PolarHBondContact N-OD2 3.12Å; Q38-D119 HydrophobicContact CG-CB 3.62Å; V43-D119 HydrophobicContact CG1-CB 4.19Å; D119-S121 PolarHBondContact O-N 2.94Å; D119-S121 VanDerWaalsContact O-N 3.08Å; D119-S121 WeakPolarHBondContact OD1-CB 3.46Å; D119-S121 PolarHBondContact OD1-N 3.29Å; D119-S121 VanDerWaalsContact OD1-N 3.09Å; D119-S121 PolarHBondContact OD1-OG 3.49Å; D119-L122 WeakPolarHBondContact O-CB 3.31Å; D119-L122 WeakPolarHBondContact O-CD1 3.31Å; D119-L122 VanDerWaalsContact O-CG 3.31Å; D119-L122 WeakPolarHBondContact O-CG 3.47Å; D119-L122 PolarHBondContact O-N 3.09Å; D119-H160 HydrophobicContact CB-CB 4.08Å; D119-E296 VanDerWaalsContact CA-OE1 3.26Å; D119-E296 WeakPolarHBondContact CA-OE1 3.5Å; D119-E296 WeakPolarHBondContact CB-OE1 3.41Å
120H98.9Very high98.6Very high0 Ų05.8 Ų5.80%05%0.045CC..G310 helixtrans-69.1-7.8-172.7-144.1155.5000114.3L122 A123 W141 D143 D147 H160 S249 D251 V295 E296H120-L122 PolarHBondContact O-N 3.24Å; H120-L122 VanDerWaalsContact O-N 3.07Å; H120-A123 WeakPolarHBondContact O-CB 3.38Å; H120-A123 PolarHBondContact O-N 3.19Å; H120-A123 VanDerWaalsContact O-N 3.11Å; H120-W141 AromaticContact CD2-CH2 3.63Å; H120-W141 AromaticContact CD2-CZ2 3.5Å; H120-W141 VanDerWaalsContact CD2-CZ2 3.5Å; H120-W141 WeakPolarHBondContact CD2-CZ2 3.26Å; H120-W141 AromaticContact CE1-CE2 3.38Å; H120-W141 AromaticContact CE1-CH2 4Å; H120-W141 AromaticContact CE1-CZ2 3.21Å; H120-W141 WeakPolarHBondContact CE1-CZ2 3.46Å; H120-W141 AromaticContact CE1-NE1 3.48Å; H120-W141 PolarHBondContact CE1-NE1 2.91Å; H120-W141 AromaticContact CG-CZ2 3.78Å; H120-W141 AromaticContact ND1-CZ2 3.61Å; H120-W141 AromaticContact NE2-CE2 3.6Å; H120-W141 AromaticContact NE2-CH2 3.44Å; H120-W141 WeakPolarHBondContact NE2-CH2 3.3Å; H120-W141 AromaticContact NE2-CZ2 3.15Å; H120-W141 WeakPolarHBondContact NE2-CZ2 3.36Å; H120-D143 IonicContact CE1-OD2 3.14Å; H120-D143 PolarHBondContact CE1-OD2 2.72Å; H120-D143 IonicContact ND1-OD2 3.17Å; H120-D143 PolarHBondContact ND1-OD2 2.68Å; H120-D143 VanDerWaalsContact ND1-OD2 3.12Å; H120-D147 IonicContact CG-OD2 2.93Å; H120-D147 IonicContact ND1-OD2 3.84Å; H120-D147 PolarHBondContact ND1-OD2 3.24Å; H120-D147 VanDerWaalsContact ND1-OD2 3.15Å; H120-H160 HydrophobicContact CB-CB 4.4Å; H120-S249 PolarHBondContact NE2-OG 2.92Å; H120-D251 IonicContact CE1-OD2 2.82Å; H120-D251 IonicContact CG-OD2 3.53Å; H120-D251 IonicContact ND1-OD2 3.8Å; H120-D251 PolarHBondContact ND1-OD2 2.89Å; H120-V295 HydrophobicContact CB-CG2 4.06Å; H120-E296 HydrophobicContact CB-CG 4.29Å; H120-E296 PolarHBondContact N-OE1 3.26Å
121S98.9Very high98.7Very high0 Ų03.7 Ų3.70%02%0.022CC..G310 helixtrans-63.4-18.3173.877.60000112.8V92 N96 D119 A123 I124V92-S121 WeakPolarHBondContact CG1-OG 3.37Å; N96-S121 PolarHBondContact ND2-O 2.83Å; N96-S121 PolarHBondContact OD1-O 2.99Å; N96-S121 VanDerWaalsContact OD1-O 3.1Å; D119-S121 PolarHBondContact O-N 2.94Å; D119-S121 VanDerWaalsContact O-N 3.08Å; D119-S121 WeakPolarHBondContact OD1-CB 3.46Å; D119-S121 PolarHBondContact OD1-N 3.29Å; D119-S121 VanDerWaalsContact OD1-N 3.09Å; D119-S121 PolarHBondContact OD1-OG 3.49Å; S121-A123 PolarHBondContact O-N 3.1Å; S121-I124 WeakPolarHBondContact O-CG1 3.33Å; S121-I124 PolarHBondContact O-N 2.99Å
122L98.9Very high98.7Very high0 Ų07.4 Ų7.40%04%0.039CC..G310 helixtrans-64.5-21176.1-66.8169.3000113.6A32 F34 F74 N96 L99 M115 G118 D119 H120 I124 G125 S126A32-L122 HydrophobicContact CB-CD1 3.73Å; A32-L122 HydrophobicContact CB-CD2 4.25Å; A32-L122 VanDerWaalsContact O-CD1 3.27Å; A32-L122 WeakPolarHBondContact O-CD1 3.23Å; F34-L122 HydrophobicContact CB-CD1 4.18Å; F34-L122 HydrophobicContact CB-CD2 3.9Å; F34-L122 HydrophobicContact CB-CG 4.38Å; F34-L122 HydrophobicContact CD1-CD2 3.98Å; F34-L122 HydrophobicContact CD1-CG 4.32Å; F34-L122 HydrophobicContact CG-CD2 4.12Å; F74-L122 HydrophobicContact CZ-CD2 4.48Å; N96-L122 WeakPolarHBondContact OD1-CA 3.43Å; N96-L122 PolarHBondContact OD1-O 3.35Å; N96-L122 VanDerWaalsContact OD1-O 3.04Å; L99-L122 HydrophobicContact CD2-CB 3.88Å; L99-L122 HydrophobicContact CD2-CD2 3.94Å; L99-L122 HydrophobicContact CD2-CG 4.47Å; L99-L122 WeakPolarHBondContact CD2-O 3.47Å; M115-L122 HydrophobicContact CE-CB 4.22Å; M115-L122 HydrophobicContact SD-CD1 4.41Å; G118-L122 VanDerWaalsContact N-CD1 3.32Å; D119-L122 WeakPolarHBondContact O-CB 3.31Å; D119-L122 WeakPolarHBondContact O-CD1 3.31Å; D119-L122 VanDerWaalsContact O-CG 3.31Å; D119-L122 WeakPolarHBondContact O-CG 3.47Å; D119-L122 PolarHBondContact O-N 3.09Å; H120-L122 PolarHBondContact O-N 3.24Å; H120-L122 VanDerWaalsContact O-N 3.07Å; L122-I124 PolarHBondContact O-N 3.09Å; L122-G125 PolarHBondContact O-N 2.91Å; L122-S126 PolarHBondContact O-N 2.9Å; L122-S126 PolarHBondContact O-OG 3.05Å
123A98.9Very high98.7Very high0 Ų010.5 Ų10.50%05%0.052CC..Hα-helixtrans-57.9-30.2175.700000112.3H120 S121 G125 S126 V127 W141 P163H120-A123 WeakPolarHBondContact O-CB 3.38Å; H120-A123 PolarHBondContact O-N 3.19Å; H120-A123 VanDerWaalsContact O-N 3.11Å; S121-A123 PolarHBondContact O-N 3.1Å; A123-G125 VanDerWaalsContact C-N 3.25Å; A123-G125 PolarHBondContact O-N 3.48Å; A123-S126 VanDerWaalsContact CA-OG 3.26Å; A123-S126 WeakPolarHBondContact CA-OG 3.27Å; A123-S126 PolarHBondContact O-OG 3.16Å; A123-V127 VanDerWaalsContact O-CB 3.25Å; A123-V127 WeakPolarHBondContact O-CB 3.29Å; A123-V127 WeakPolarHBondContact O-CG2 3.15Å; A123-V127 PolarHBondContact O-N 3.25Å; A123-W141 HydrophobicContact CB-CH2 3.46Å; A123-W141 VanDerWaalsContact CB-CH2 3.46Å; A123-W141 HydrophobicContact CB-CZ3 3.74Å; A123-P163 HydrophobicContact CB-CB 4.16Å
124I98.9Very high98.7Very high0 Ų011.4 Ų11.40%06%0.058CC..Hα-helixtrans-57-45.4174.9-58.3173.1000109.4N96 S121 L122 S128 P163 F166 F181 W183N96-I124 HydrophobicContact CB-CB 4.34Å; N96-I124 HydrophobicContact CB-CG2 4.4Å; S121-I124 WeakPolarHBondContact O-CG1 3.33Å; S121-I124 PolarHBondContact O-N 2.99Å; L122-I124 PolarHBondContact O-N 3.09Å; I124-S128 WeakPolarHBondContact O-CB 3.48Å; I124-S128 PolarHBondContact O-N 2.9Å; I124-S128 PolarHBondContact O-OG 3.25Å; I124-P163 HydrophobicContact CD1-CB 4.2Å; I124-P163 HydrophobicContact CG1-CB 3.61Å; I124-F166 HydrophobicContact CD1-CB 4.15Å; I124-F166 HydrophobicContact CD1-CD2 4.09Å; I124-F166 HydrophobicContact CD1-CG 4.14Å; I124-F166 HydrophobicContact CG1-CB 4.38Å; I124-F181 HydrophobicContact CD1-CE1 3.67Å; I124-F181 HydrophobicContact CD1-CZ 4.32Å; I124-F181 HydrophobicContact CG2-CE1 4.35Å; I124-W183 HydrophobicContact CG2-CZ2 4.5Å
125G98.9Very high98.6Very high0 Ų016.4 Ų16.40%09%0.091CC..Hα-helixtrans-75.1-50.2-17800000112.3N96 S100 L122 A123 S128 G129N96-G125 WeakPolarHBondContact O-CA 3.47Å; N96-G125 VanDerWaalsContact OD1-CA 3.27Å; N96-G125 WeakPolarHBondContact OD1-CA 3.41Å; N96-G125 PolarHBondContact OD1-N 3.2Å; S100-G125 WeakPolarHBondContact CA-O 3.07Å; S100-G125 VanDerWaalsContact CB-O 3.28Å; S100-G125 WeakPolarHBondContact CB-O 3.15Å; L122-G125 PolarHBondContact O-N 2.91Å; A123-G125 VanDerWaalsContact C-N 3.25Å; A123-G125 PolarHBondContact O-N 3.48Å; G125-S128 PolarHBondContact O-N 3.45Å; G125-G129 PolarHBondContact O-N 3.19Å
126S98.9Very high98.4Very high1 Ų118.9 Ų18.91%0.00710%0.104CC..Hα-helixtrans-61.4-50.7-177.659.40000111.7V103 L122 A123 G129 H130 D293V103-S126 WeakPolarHBondContact CG1-O 3.47Å; L122-S126 PolarHBondContact O-N 2.9Å; L122-S126 PolarHBondContact O-OG 3.05Å; A123-S126 VanDerWaalsContact CA-OG 3.26Å; A123-S126 WeakPolarHBondContact CA-OG 3.27Å; A123-S126 PolarHBondContact O-OG 3.16Å; S126-G129 PolarHBondContact O-N 3.33Å; S126-H130 WeakPolarHBondContact O-CB 3.31Å; S126-H130 PolarHBondContact O-N 2.83Å; S126-D293 VanDerWaalsContact CB-OD1 3.26Å; S126-D293 WeakPolarHBondContact CB-OD1 3.46Å; S126-D293 VanDerWaalsContact CB-OD2 3.29Å; S126-D293 WeakPolarHBondContact CB-OD2 3.2Å; S126-D293 PolarHBondContact OG-OD1 3.09Å; S126-D293 PolarHBondContact OG-OD2 2.82Å
127V98.9Very high98.4Very high0 Ų019.2 Ų19.20%011%0.106CC..Hα-helixtrans-68.5-39.5-179.8-174.20000110.2A123 G129 H130 A131 L137 V139 M167 F187 H247A123-V127 VanDerWaalsContact O-CB 3.25Å; A123-V127 WeakPolarHBondContact O-CB 3.29Å; A123-V127 WeakPolarHBondContact O-CG2 3.15Å; A123-V127 PolarHBondContact O-N 3.25Å; V127-G129 VanDerWaalsContact C-N 3.34Å; V127-G129 PolarHBondContact O-N 3.02Å; V127-H130 PolarHBondContact O-N 3.23Å; V127-A131 VanDerWaalsContact O-CB 3.3Å; V127-A131 WeakPolarHBondContact O-CB 3.47Å; V127-A131 PolarHBondContact O-N 3.38Å; V127-L137 HydrophobicContact CG1-CD1 4.3Å; V127-V139 HydrophobicContact CG1-CG2 4.03Å; V127-M167 HydrophobicContact CB-SD 3.6Å; V127-M167 HydrophobicContact CG1-SD 3.88Å; V127-M167 HydrophobicContact CG2-CE 4.42Å; V127-M167 HydrophobicContact CG2-SD 3.96Å; V127-F187 HydrophobicContact CB-CE2 4.3Å; V127-F187 HydrophobicContact CB-CZ 4.08Å; V127-F187 HydrophobicContact CG1-CE2 3.5Å; V127-F187 VanDerWaalsContact CG1-CE2 3.5Å; V127-F187 HydrophobicContact CG1-CZ 3.74Å; V127-H247 WeakPolarHBondContact CG2-NE2 3.47Å
128S98.8Very high98.5Very high6 Ų619.2 Ų19.24%0.04211%0.106CC..Hα-helixtrans-60.9-42.6173.8-68.50000112I124 G125 Q132 T184 F187I124-S128 WeakPolarHBondContact O-CB 3.48Å; I124-S128 PolarHBondContact O-N 2.9Å; I124-S128 PolarHBondContact O-OG 3.25Å; G125-S128 PolarHBondContact O-N 3.45Å; S128-Q132 WeakPolarHBondContact O-CG 3.37Å; S128-Q132 PolarHBondContact O-N 3.36Å; S128-Q132 PolarHBondContact O-NE2 2.9Å; S128-T184 PolarHBondContact OG-OG1 3.08Å; S128-F187 VanDerWaalsContact CA-CZ 3.48Å; S128-F187 WeakPolarHBondContact OG-CE1 3.34Å
129G98.8Very high98.5Very high0 Ų019.2 Ų19.20%011%0.106CC..Hα-helixtrans-65.5-43.1178.200000112S100 S104 G125 S126 V127 Q132S100-G129 WeakPolarHBondContact O-CA 3.02Å; S100-G129 VanDerWaalsContact OG-CA 3.31Å; S100-G129 WeakPolarHBondContact OG-CA 3.45Å; S100-G129 PolarHBondContact OG-N 2.86Å; S100-G129 VanDerWaalsContact OG-N 3.16Å; S104-G129 VanDerWaalsContact CA-O 3.3Å; S104-G129 WeakPolarHBondContact CA-O 3.44Å; S104-G129 WeakPolarHBondContact CB-O 3.4Å; G125-G129 PolarHBondContact O-N 3.19Å; S126-G129 PolarHBondContact O-N 3.33Å; V127-G129 VanDerWaalsContact C-N 3.34Å; V127-G129 PolarHBondContact O-N 3.02Å; G129-Q132 PolarHBondContact O-N 3.12Å
130H98.8Very high98.5Very high0 Ų019.2 Ų19.20%011%0.106CC..Hα-helixtrans-62.7-45.9175.6-172.4-168.1000111.4V103 S126 V127 Q132 Q133 C134 L137 H247 S290V103-H130 HydrophobicContact CG1-CB 4.25Å; S126-H130 WeakPolarHBondContact O-CB 3.31Å; S126-H130 PolarHBondContact O-N 2.83Å; V127-H130 PolarHBondContact O-N 3.23Å; H130-Q132 PolarHBondContact O-N 3.33Å; H130-Q133 PolarHBondContact O-N 3.37Å; H130-C134 PolarHBondContact O-N 3.38Å; H130-L137 HydrophobicContact CB-CD2 3.85Å; H130-L137 WeakPolarHBondContact ND1-CD2 3.42Å; H130-H247 AromaticContact CG-ND1 3.97Å; H130-H247 WeakPolarHBondContact ND1-CB 3.24Å; H130-H247 AromaticContact ND1-CG 3.68Å; H130-H247 AromaticContact ND1-ND1 3.16Å; H130-H247 PolarHBondContact ND1-ND1 2.75Å; H130-H247 VanDerWaalsContact ND1-ND1 3.16Å; H130-S290 WeakPolarHBondContact NE2-CB 3.36Å; H130-S290 PolarHBondContact NE2-OG 2.99Å
131A98.6Very high98.5Very high13 Ų1319.2 Ų19.211%0.10711%0.106CC..Hα-helixtrans-63.3-24.2-179.500000114.1V127 Q133 C134 P135 L137 F187V127-A131 VanDerWaalsContact O-CB 3.3Å; V127-A131 WeakPolarHBondContact O-CB 3.47Å; V127-A131 PolarHBondContact O-N 3.38Å; A131-Q133 VanDerWaalsContact C-N 3.26Å; A131-Q133 PolarHBondContact O-N 2.98Å; A131-C134 CarbonylContact O-C 3.39Å; A131-P135 VanDerWaalsContact O-CA 3.26Å; A131-P135 WeakPolarHBondContact O-CA 3.37Å; A131-L137 HydrophobicContact CB-CD2 3.88Å; A131-F187 HydrophobicContact CB-CD2 3.39Å; A131-F187 HydrophobicContact CB-CE2 3.62Å; A131-F187 HydrophobicContact CB-CG 4.18Å
132Q98.4Very high98.5Very high106 Ų10619.2 Ų19.250%0.49511%0.106SC..Hα-helixtrans-64.3-32.3174.1-74.3166.736.700112.6S100 S104 S128 G129 H130S100-Q132 PolarHBondContact OG-NE2 3.31Å; S104-Q132 PolarHBondContact OG-OE1 3.07Å; S128-Q132 WeakPolarHBondContact O-CG 3.37Å; S128-Q132 PolarHBondContact O-N 3.36Å; S128-Q132 PolarHBondContact O-NE2 2.9Å; G129-Q132 PolarHBondContact O-N 3.12Å; H130-Q132 PolarHBondContact O-N 3.33Å
133Q98.4Very high98.5Very high92 Ų9219.2 Ų19.243%0.4311%0.106SC..Hα-helixtrans-97.8-29.9178.1-54.9-56-35.300111.8S104 V107 H130 A131S104-Q133 VanDerWaalsContact O-CG 3.26Å; S104-Q133 WeakPolarHBondContact O-CG 3.36Å; S104-Q133 PolarHBondContact OG-NE2 2.82Å; V107-Q133 HydrophobicContact CB-CB 4.22Å; V107-Q133 HydrophobicContact CB-CG 4.13Å; V107-Q133 HydrophobicContact CG1-CB 3.63Å; V107-Q133 HydrophobicContact CG1-CG 4.1Å; H130-Q133 PolarHBondContact O-N 3.37Å; A131-Q133 VanDerWaalsContact C-N 3.26Å; A131-Q133 PolarHBondContact O-N 2.98Å
134C97.9Very high98.5Very high20 Ų2019.2 Ų19.214%0.13511%0.106CC..  trans-129.271.7-175.7-61.20000110.8H130 A131 D136 L137 P245H130-C134 PolarHBondContact O-N 3.38Å; A131-C134 CarbonylContact O-C 3.39Å; C134-D136 PolarHBondContact O-N 3.19Å; C134-D136 VanDerWaalsContact O-N 3.08Å; C134-L137 HydrophobicContact CB-CB 4.35Å; C134-L137 WeakPolarHBondContact O-CB 3.32Å; C134-L137 WeakPolarHBondContact O-CD2 3.38Å; C134-L137 WeakPolarHBondContact O-CG 3.33Å; C134-L137 PolarHBondContact O-N 2.82Å; C134-L137 VanDerWaalsContact O-N 3.08Å; C134-P245 HydrophobicContact CB-CB 4.16Å; C134-P245 HydrophobicContact CB-CG 3.88Å
135P97.1Very high98.5Very high106 Ų10620.2 Ų20.269%0.68811%0.111SC*.THydrogen-bonded Turntrans-67.8-11-173.127.7-36.6000114.3A131A131-P135 VanDerWaalsContact O-CA 3.26Å; A131-P135 WeakPolarHBondContact O-CA 3.37Å
136D96.3Very high98.5Very high53 Ų5320.2 Ų20.228%0.28311%0.111SC..THydrogen-bonded Turntrans-102.410.8176.769.9-32.9000113.7C134 K242 R244C134-D136 PolarHBondContact O-N 3.19Å; C134-D136 VanDerWaalsContact O-N 3.08Å; D136-K242 WeakPolarHBondContact OD2-CE 3.3Å; D136-K242 IonicContact OD2-NZ 2.75Å; D136-K242 PolarHBondContact OD2-NZ 3.49Å; D136-R244 WeakPolarHBondContact O-CB 3.46Å; D136-R244 WeakPolarHBondContact O-CD 3.37Å
137L98.4Very high98.5Very high6 Ų620.6 Ų20.63%0.03111%0.113CC..  trans-54155.3176.471.181000112V127 H130 A131 C134 V139 L188 P245 H247V127-L137 HydrophobicContact CG1-CD1 4.3Å; H130-L137 HydrophobicContact CB-CD2 3.85Å; H130-L137 WeakPolarHBondContact ND1-CD2 3.42Å; A131-L137 HydrophobicContact CB-CD2 3.88Å; C134-L137 HydrophobicContact CB-CB 4.35Å; C134-L137 WeakPolarHBondContact O-CB 3.32Å; C134-L137 WeakPolarHBondContact O-CD2 3.38Å; C134-L137 WeakPolarHBondContact O-CG 3.33Å; C134-L137 PolarHBondContact O-N 2.82Å; C134-L137 VanDerWaalsContact O-N 3.08Å; L137-V139 HydrophobicContact CD1-CG2 3.66Å; L137-L188 HydrophobicContact CD1-CD1 4.27Å; L137-P245 CarbonylContact C-O 3.47Å; L137-P245 VanDerWaalsContact CA-O 3.23Å; L137-P245 WeakPolarHBondContact CA-O 3.26Å; L137-P245 HydrophobicContact CB-CB 4.29Å; L137-H247 HydrophobicContact CD1-CB 4.4Å
138C98.8Very high98.5Very high0 Ų020.6 Ų20.60%011%0.113CC..EExtended strand (participates in β ladder)trans-118155.1164.454.50000111D192 L238 P245 H247C138-D192 CarbonylContact C-O 3.57Å; C138-D192 VanDerWaalsContact CA-O 3.31Å; C138-D192 WeakPolarHBondContact CA-O 3.41Å; C138-D192 WeakPolarHBondContact CB-O 3.46Å; C138-L238 HydrophobicContact CB-CB 4.24Å; C138-L238 HydrophobicContact CB-CD1 4.13Å; C138-L238 HydrophobicContact CB-CD2 3.76Å; C138-L238 HydrophobicContact CB-CG 4.26Å; C138-P245 PolarHBondContact N-O 2.88Å; C138-H247 PolarHBondContact O-N 3.03Å
139V98.9Very high98.5Very high0 Ų020.5 Ų20.50%011%0.112CC..EExtended strand (participates in β ladder)trans-113.2129.6-178-176.60000110.1V127 L137 W141 L188 D192 L193 V194 H247V127-V139 HydrophobicContact CG1-CG2 4.03Å; L137-V139 HydrophobicContact CD1-CG2 3.66Å; V139-W141 HydrophobicContact CG1-CE3 4.12Å; V139-L188 HydrophobicContact CB-CD2 4.31Å; V139-L188 HydrophobicContact CG2-CD1 3.96Å; V139-L188 HydrophobicContact CG2-CD2 3.79Å; V139-D192 PolarHBondContact N-O 3.3Å; V139-L193 HydrophobicContact CB-CD1 3.81Å; V139-L193 HydrophobicContact CG1-CD1 3.74Å; V139-L193 WeakPolarHBondContact O-CA 3.31Å; V139-V194 PolarHBondContact O-N 3.33Å; V139-H247 WeakPolarHBondContact CA-O 3.4Å; V139-H247 HydrophobicContact CG2-CB 4.36Å
140I98.9Very high98.5Very high0 Ų020.8 Ų20.80%011%0.113CC..EExtended strand (participates in β ladder)trans-106.5119.4162.3-60.4174.6000106.1V142 V194 V196 L235 L238 I246 H247 L248 S249 I283I140-V142 HydrophobicContact CG2-CG2 3.95Å; I140-V194 WeakPolarHBondContact CA-O 3.18Å; I140-V196 HydrophobicContact CG2-CG2 4.47Å; I140-L235 HydrophobicContact CD1-CD2 3.98Å; I140-L238 HydrophobicContact CD1-CD1 4.23Å; I140-L238 HydrophobicContact CG1-CD1 3.58Å; I140-I246 HydrophobicContact CD1-CG2 4.07Å; I140-I246 HydrophobicContact CG1-CG2 4.33Å; I140-H247 PolarHBondContact N-O 3.17Å; I140-L248 HydrophobicContact CB-CD1 4.26Å; I140-L248 HydrophobicContact CG2-CD1 4.18Å; I140-S249 PolarHBondContact O-N 3.22Å; I140-I283 HydrophobicContact CD1-CD1 4.02Å; I140-I283 HydrophobicContact CD1-CG1 4.06Å; I140-I283 HydrophobicContact CG2-CD1 4.49Å
141W98.9Very high98.4Very high0 Ų021 Ų210%011%0.114CC..EExtended strand (participates in β ladder)trans-107.1110.2-178.8-163.8-74.1000108.9H120 A123 V139 D143 D147 P163 V164 M167 L193 V194 Y195 V196 S249H120-W141 AromaticContact CD2-CH2 3.63Å; H120-W141 AromaticContact CD2-CZ2 3.5Å; H120-W141 VanDerWaalsContact CD2-CZ2 3.5Å; H120-W141 WeakPolarHBondContact CD2-CZ2 3.26Å; H120-W141 AromaticContact CE1-CE2 3.38Å; H120-W141 AromaticContact CE1-CH2 4Å; H120-W141 AromaticContact CE1-CZ2 3.21Å; H120-W141 WeakPolarHBondContact CE1-CZ2 3.46Å; H120-W141 AromaticContact CE1-NE1 3.48Å; H120-W141 PolarHBondContact CE1-NE1 2.91Å; H120-W141 AromaticContact CG-CZ2 3.78Å; H120-W141 AromaticContact ND1-CZ2 3.61Å; H120-W141 AromaticContact NE2-CE2 3.6Å; H120-W141 AromaticContact NE2-CH2 3.44Å; H120-W141 WeakPolarHBondContact NE2-CH2 3.3Å; H120-W141 AromaticContact NE2-CZ2 3.15Å; H120-W141 WeakPolarHBondContact NE2-CZ2 3.36Å; A123-W141 HydrophobicContact CB-CH2 3.46Å; A123-W141 VanDerWaalsContact CB-CH2 3.46Å; A123-W141 HydrophobicContact CB-CZ3 3.74Å; V139-W141 HydrophobicContact CG1-CE3 4.12Å; W141-D143 PolarHBondContact NE1-OD2 3.41Å; W141-D147 HydrophobicContact CZ2-CB 3.6Å; W141-P163 HydrophobicContact CH2-CB 4.15Å; W141-P163 HydrophobicContact CH2-CG 3.57Å; W141-P163 HydrophobicContact CZ2-CG 3.84Å; W141-V164 HydrophobicContact CD2-CG2 4.02Å; W141-V164 HydrophobicContact CE3-CG2 3.73Å; W141-V164 HydrophobicContact CH2-CG2 3.69Å; W141-V164 HydrophobicContact CZ2-CG2 3.96Å; W141-V164 HydrophobicContact CZ3-CG2 3.59Å; W141-M167 HydrophobicContact CH2-CE 4.44Å; W141-M167 HydrophobicContact CZ3-CE 3.87Å; W141-L193 HydrophobicContact CB-CD1 4.03Å; W141-V194 PolarHBondContact N-O 3.46Å; W141-Y195 HydrophobicContact CB-CD1 3.58Å; W141-Y195 HydrophobicContact CB-CE1 3.79Å; W141-Y195 HydrophobicContact CB-CG 4.29Å; W141-Y195 AromaticContact CD1-CD1 3.49Å; W141-Y195 VanDerWaalsContact CD1-CD1 3.49Å; W141-Y195 AromaticContact CD1-CE1 3.45Å; W141-Y195 VanDerWaalsContact CD1-CE1 3.45Å; W141-Y195 HydrophobicContact CD2-CE1 4.16Å; W141-Y195 AromaticContact CG-CD1 3.65Å; W141-Y195 HydrophobicContact CG-CD1 3.65Å; W141-Y195 AromaticContact CG-CE1 3.5Å; W141-Y195 HydrophobicContact CG-CE1 3.5Å; W141-Y195 CarbonylContact O-C 3.22Å; W141-Y195 VanDerWaalsContact O-CA 3.27Å; W141-Y195 WeakPolarHBondContact O-CA 3.14Å; W141-V196 PolarHBondContact O-N 3.43Å; W141-S249 WeakPolarHBondContact CA-O 3.34Å
142V98.9Very high98.2Very high0 Ų026.9 Ų26.90%014%0.141CC..EExtended strand (participates in β ladder)trans-107108.9-176.9-173.80000108.4I140 V196 L248 S249 F250 D251 A254 L271 L279I140-V142 HydrophobicContact CG2-CG2 3.95Å; V142-V196 WeakPolarHBondContact CA-O 3.37Å; V142-L248 HydrophobicContact CG2-CD1 3.68Å; V142-S249 PolarHBondContact N-O 2.98Å; V142-F250 HydrophobicContact CB-CD2 3.79Å; V142-F250 HydrophobicContact CB-CE2 3.98Å; V142-F250 HydrophobicContact CB-CG 4.12Å; V142-F250 HydrophobicContact CB-CZ 4.43Å; V142-F250 HydrophobicContact CG1-CD2 3.96Å; V142-F250 HydrophobicContact CG1-CE1 4.22Å; V142-F250 HydrophobicContact CG1-CE2 3.6Å; V142-F250 HydrophobicContact CG1-CG 4.43Å; V142-F250 HydrophobicContact CG1-CZ 3.72Å; V142-F250 HydrophobicContact CG2-CD2 4.08Å; V142-F250 HydrophobicContact CG2-CE2 4.31Å; V142-D251 PolarHBondContact O-N 3.29Å; V142-A254 HydrophobicContact CG1-CB 3.77Å; V142-L271 HydrophobicContact CG1-CD1 3.76Å; V142-L279 HydrophobicContact CG1-CD1 4.28Å; V142-L279 HydrophobicContact CG2-CD1 3.74Å; V142-L279 HydrophobicContact CG2-CD2 3.81Å; V142-L279 HydrophobicContact CG2-CG 4.46Å
143D98.9Very high98.1Very high0 Ų024.3 Ų24.30%013%0.133CC..SBendtrans-165.4153-163.1-158.4-40.2000111.2H120 W141 H145 V196 G197 L198 D251H120-D143 IonicContact CE1-OD2 3.14Å; H120-D143 PolarHBondContact CE1-OD2 2.72Å; H120-D143 IonicContact ND1-OD2 3.17Å; H120-D143 PolarHBondContact ND1-OD2 2.68Å; H120-D143 VanDerWaalsContact ND1-OD2 3.12Å; W141-D143 PolarHBondContact NE1-OD2 3.41Å; D143-H145 VanDerWaalsContact C-N 3.32Å; D143-H145 WeakPolarHBondContact CB-O 3.07Å; D143-H145 IonicContact OD1-CG 3.7Å; D143-H145 PolarHBondContact OD1-N 2.93Å; D143-H145 IonicContact OD1-ND1 3.49Å; D143-H145 PolarHBondContact OD1-ND1 2.94Å; D143-V196 PolarHBondContact N-O 3.2Å; D143-V196 VanDerWaalsContact N-O 3.09Å; D143-G197 CarbonylContact O-C 3.57Å; D143-G197 WeakPolarHBondContact O-CA 3.28Å; D143-L198 PolarHBondContact O-N 2.87Å; D143-D251 HydrophobicContact CB-CB 4.07Å; D143-D251 WeakPolarHBondContact OD2-CB 3.47Å
144A98.9Very high98.1Very high0 Ų020.2 Ų20.20%012%0.115CC..SBendtrans-72.6-28.3166.800000112.4L198 R199 D200 D253 V267A144-L198 WeakPolarHBondContact O-CA 3.24Å; A144-R199 HydrophobicContact CB-CG 4.02Å; A144-R199 VanDerWaalsContact CB-CZ 3.48Å; A144-R199 PolarHBondContact O-N 3.48Å; A144-D200 PolarHBondContact O-N 2.76Å; A144-D253 WeakPolarHBondContact CB-OD1 3.4Å; A144-D253 PolarHBondContact N-OD1 3.44Å; A144-V267 HydrophobicContact CB-CB 4.27Å; A144-V267 HydrophobicContact CB-CG2 4.25Å
145H98.9Very high98Very high22 Ų2223.6 Ų23.610%0.10214%0.136CC..SBendtrans-110.6160.4-173-4792.6000111.6D143 D147 L198 D200 D253 T265D143-H145 VanDerWaalsContact C-N 3.32Å; D143-H145 WeakPolarHBondContact CB-O 3.07Å; D143-H145 IonicContact OD1-CG 3.7Å; D143-H145 PolarHBondContact OD1-N 2.93Å; D143-H145 IonicContact OD1-ND1 3.49Å; D143-H145 PolarHBondContact OD1-ND1 2.94Å; H145-D147 WeakPolarHBondContact CB-OD1 3.42Å; H145-L198 VanDerWaalsContact C-CD2 3.47Å; H145-L198 WeakPolarHBondContact O-CD2 3.37Å; H145-D200 WeakPolarHBondContact CA-O 3.37Å; H145-D200 IonicContact NE2-OD2 3.64Å; H145-D253 IonicContact CE1-OD1 3.12Å; H145-D253 IonicContact CE1-OD2 3.05Å; H145-D253 PolarHBondContact CE1-OD2 3.23Å; H145-D253 IonicContact ND1-OD1 3.43Å; H145-D253 IonicContact ND1-OD2 3.15Å; H145-D253 PolarHBondContact ND1-OD2 2.99Å; H145-T265 PolarHBondContact CE1-O 3.24Å
146A98.8Very high98Very high0 Ų020.6 Ų20.60%012%0.118CC..  trans-90.1-20.2179.400000112.9I148 Y195 L198 V201 E205 L209A146-I148 HydrophobicContact CB-CG2 3.75Å; A146-I148 PolarHBondContact O-N 3.13Å; A146-Y195 HydrophobicContact CB-CE1 4.48Å; A146-Y195 WeakPolarHBondContact O-CE1 3.41Å; A146-Y195 PolarHBondContact O-OH 3.02Å; A146-L198 HydrophobicContact CB-CD2 4.37Å; A146-V201 HydrophobicContact CB-CG1 4.2Å; A146-E205 HydrophobicContact CB-CB 4.14Å; A146-L209 HydrophobicContact CB-CD1 4.09Å
147D98.8Very high98.1Very high9 Ų918 Ų185%0.04810%0.104CC..  trans51.333.2176-77.57.1000114H120 W141 H145 H160 G161 Q162 P163 V164 E205H120-D147 IonicContact CG-OD2 2.93Å; H120-D147 IonicContact ND1-OD2 3.84Å; H120-D147 PolarHBondContact ND1-OD2 3.24Å; H120-D147 VanDerWaalsContact ND1-OD2 3.15Å; W141-D147 HydrophobicContact CZ2-CB 3.6Å; H145-D147 WeakPolarHBondContact CB-OD1 3.42Å; D147-H160 VanDerWaalsContact CG-O 3.3Å; D147-H160 VanDerWaalsContact OD2-O 3.05Å; D147-G161 CarbonylContact C-O 3.59Å; D147-G161 WeakPolarHBondContact OD1-CA 3.4Å; D147-Q162 CarbonylContact O-C 3.58Å; D147-P163 HydrophobicContact CB-CG 3.89Å; D147-P163 VanDerWaalsContact O-CD 3.29Å; D147-P163 WeakPolarHBondContact O-CD 3.32Å; D147-V164 WeakPolarHBondContact O-CB 3.27Å; D147-V164 PolarHBondContact O-N 2.91Å; D147-E205 PolarHBondContact N-OE1 3.38Å; D147-E205 VanDerWaalsContact N-OE1 3.1Å
148I98.8Very high98.1Very high0 Ų018.6 Ų18.60%011%0.107CC..  trans-122.211.4-170-160.1170000111.8A146 T150 V164 L168 L171 E205 I208 L209 I214A146-I148 HydrophobicContact CB-CG2 3.75Å; A146-I148 PolarHBondContact O-N 3.13Å; I148-T150 PolarHBondContact O-N 3.19Å; I148-V164 HydrophobicContact CB-CB 4.12Å; I148-V164 HydrophobicContact CB-CG1 4.37Å; I148-V164 HydrophobicContact CD1-CG1 3.83Å; I148-V164 HydrophobicContact CG1-CB 4.03Å; I148-V164 HydrophobicContact CG1-CG1 3.85Å; I148-L168 HydrophobicContact CD1-CD1 3.6Å; I148-L168 HydrophobicContact CG1-CD1 4.3Å; I148-L171 HydrophobicContact CG1-CD1 4.2Å; I148-E205 HydrophobicContact CG2-CB 3.61Å; I148-E205 HydrophobicContact CG2-CG 3.67Å; I148-E205 PolarHBondContact N-OE1 3.27Å; I148-I208 HydrophobicContact CD1-CG2 3.65Å; I148-I208 HydrophobicContact CG1-CG2 3.98Å; I148-I208 WeakPolarHBondContact O-CD1 3.39Å; I148-L209 HydrophobicContact CD1-CD2 4.43Å; I148-I214 HydrophobicContact CD1-CD1 3.46Å; I148-I214 VanDerWaalsContact CD1-CD1 3.46Å
149N98.8Very high98.1Very high4 Ų418.6 Ų18.62%0.02111%0.107CC..  trans-59.6137.4169.7-85.1-64.9000110.4T153 S154 G161 Q162 A165 D202 E205N149-T153 WeakPolarHBondContact CA-OG1 3.42Å; N149-T153 VanDerWaalsContact OD1-C 3.31Å; N149-T153 WeakPolarHBondContact OD1-CB 3.46Å; N149-T153 PolarHBondContact OD1-O 2.91Å; N149-T153 PolarHBondContact OD1-OG1 3.27Å; N149-S154 PolarHBondContact OD1-N 3.22Å; N149-G161 WeakPolarHBondContact CB-O 3.4Å; N149-G161 PolarHBondContact N-O 3.44Å; N149-Q162 HydrophobicContact CB-CG 4.03Å; N149-Q162 VanDerWaalsContact O-CA 3.26Å; N149-Q162 WeakPolarHBondContact O-CA 3.16Å; N149-Q162 WeakPolarHBondContact O-CB 3.42Å; N149-Q162 VanDerWaalsContact O-CG 3.28Å; N149-Q162 WeakPolarHBondContact O-CG 3.25Å; N149-A165 WeakPolarHBondContact O-CB 3.37Å; N149-D202 PolarHBondContact ND2-OD2 3.2Å; N149-E205 HydrophobicContact CB-CG 4.32Å; N149-E205 VanDerWaalsContact CG-CG 3.49Å; N149-E205 PolarHBondContact N-OE1 2.98Å; N149-E205 WeakPolarHBondContact ND2-CG 3.27Å; N149-E205 PolarHBondContact ND2-OE1 3.45Å
150T98.2Very high98.1Very high6 Ų619.8 Ų19.84%0.03711%0.112CC..  trans-80.1165.2163.567.80000109.5I148 M152 T153 S154 A165 K174 I175 I208I148-T150 PolarHBondContact O-N 3.19Å; T150-M152 PolarHBondContact O-N 2.85Å; T150-M152 PolarHBondContact OG1-N 3.35Å; T150-T153 PolarHBondContact N-OG1 2.86Å; T150-T153 PolarHBondContact O-N 3.44Å; T150-T153 PolarHBondContact O-OG1 3.13Å; T150-T153 WeakPolarHBondContact OG1-CG2 3.4Å; T150-T153 PolarHBondContact OG1-N 3.01Å; T150-T153 VanDerWaalsContact OG1-N 3.15Å; T150-T153 PolarHBondContact OG1-OG1 2.89Å; T150-S154 PolarHBondContact O-N 2.88Å; T150-A165 HydrophobicContact CG2-CB 4.18Å; T150-K174 HydrophobicContact CG2-CB 4.39Å; T150-I175 HydrophobicContact CG2-CD1 3.89Å; T150-I208 HydrophobicContact CG2-CD1 4.17Å
151P96.4Very high98Very high3 Ų320.3 Ų20.32%0.01912%0.118CC..THydrogen-bonded Turntrans-50.2-25.2167.8-34.340.2000115.2M84 V86 F166 P176 I178M84-P151 HydrophobicContact CE-CB 4.34Å; V86-P151 HydrophobicContact CG2-CB 3.55Å; V86-P151 HydrophobicContact CG2-CG 3.87Å; P151-F166 HydrophobicContact CG-CE2 4.37Å; P151-F166 HydrophobicContact CG-CZ 3.94Å; P151-P176 HydrophobicContact CB-CG 3.99Å; P151-P176 HydrophobicContact CG-CG 4.24Å; P151-I178 HydrophobicContact CB-CD1 4.11Å; P151-I178 HydrophobicContact CG-CD1 3.9Å; P151-I178 HydrophobicContact CG-CG1 3.99Å
152M95.1Very high98Very high137 Ų13720.3 Ų20.368%0.67512%0.118SC*.THydrogen-bonded Turntrans-90-26.7-179-62.9-58.6-61.900113.5M84 T150M84-M152 HydrophobicContact SD-SD 4.49Å; T150-M152 PolarHBondContact O-N 2.85Å; T150-M152 PolarHBondContact OG1-N 3.35Å
153T96.6Very high98Very high53 Ų5320.3 Ų20.333%0.32512%0.118SC..THydrogen-bonded Turntrans-98.2-24.3-177.361.60000112.6N149 T150 P155N149-T153 WeakPolarHBondContact CA-OG1 3.42Å; N149-T153 VanDerWaalsContact OD1-C 3.31Å; N149-T153 WeakPolarHBondContact OD1-CB 3.46Å; N149-T153 PolarHBondContact OD1-O 2.91Å; N149-T153 PolarHBondContact OD1-OG1 3.27Å; T150-T153 PolarHBondContact N-OG1 2.86Å; T150-T153 PolarHBondContact O-N 3.44Å; T150-T153 PolarHBondContact O-OG1 3.13Å; T150-T153 WeakPolarHBondContact OG1-CG2 3.4Å; T150-T153 PolarHBondContact OG1-N 3.01Å; T150-T153 VanDerWaalsContact OG1-N 3.15Å; T150-T153 PolarHBondContact OG1-OG1 2.89Å; T153-P155 WeakPolarHBondContact O-CD 3.48Å
154S97.4Very high98Very high6 Ų620.3 Ų20.34%0.04212%0.118CC..  trans-57.7124.2-177.9-176.10000111N85 N149 T150 S156 G157N85-S154 PolarHBondContact ND2-O 3.41Å; N149-S154 PolarHBondContact OD1-N 3.22Å; T150-S154 PolarHBondContact O-N 2.88Å; S154-S156 VanDerWaalsContact C-N 3.34Å; S154-S156 PolarHBondContact OG-N 3.42Å; S154-G157 PolarHBondContact OG-N 3.38Å
155P96Very high98Very high90 Ų9020.3 Ų20.358%0.58412%0.118SC*.SBendtrans-75.6-27.5173.329.6-33.5000111.7T153 D202T153-P155 WeakPolarHBondContact O-CD 3.48Å; P155-D202 WeakPolarHBondContact CD-OD2 3.37Å; P155-D202 VanDerWaalsContact CG-OD2 3.31Å; P155-D202 WeakPolarHBondContact CG-OD2 3.41Å
156S97.4Very high98Very high43 Ų4319.7 Ų19.730%0.30112%0.115SC..SBendtrans-94.6-29.6-172.574.70000113.2K87 S154 N158K87-S156 WeakPolarHBondContact CE-O 3.35Å; K87-S156 PolarHBondContact NZ-O 3.35Å; S154-S156 VanDerWaalsContact C-N 3.34Å; S154-S156 PolarHBondContact OG-N 3.42Å; S156-N158 PolarHBondContact O-N 3.33Å; S156-N158 WeakPolarHBondContact OG-CB 3.43Å; S156-N158 PolarHBondContact OG-N 2.8Å; S156-N158 VanDerWaalsContact OG-N 3.11Å
157G97.6Very high97.9Very high0 Ų019.8 Ų19.80%012%0.115CC..  trans740.4-171.400000114.7N85 K87 S154N85-G157 PolarHBondContact ND2-N 3.47Å; N85-G157 WeakPolarHBondContact O-CA 3.2Å; K87-G157 PolarHBondContact N-O 3.1Å; S154-G157 PolarHBondContact OG-N 3.38Å
158N98.5Very high97.9Very high18 Ų1819.3 Ų19.310%0.09611%0.113CC..  trans-77.5130.8176.7-61.9-9.4000108.7G37 Q38 K87 S156 H160 Q162G37-N158 CarbonylContact O-C 3.54Å; G37-N158 VanDerWaalsContact O-C 3.31Å; G37-N158 WeakPolarHBondContact O-CA 3.42Å; G37-N158 WeakPolarHBondContact O-CB 3.39Å; Q38-N158 HydrophobicContact CB-CB 4.48Å; K87-N158 PolarHBondContact NZ-OD1 3.24Å; S156-N158 PolarHBondContact O-N 3.33Å; S156-N158 WeakPolarHBondContact OG-CB 3.43Å; S156-N158 PolarHBondContact OG-N 2.8Å; S156-N158 VanDerWaalsContact OG-N 3.11Å; N158-H160 VanDerWaalsContact C-N 3.32Å; N158-H160 PolarHBondContact O-N 3.17Å; N158-Q162 VanDerWaalsContact C-NE2 3.33Å; N158-Q162 PolarHBondContact O-NE2 2.92Å
159L98.6Very high97.9Very high0 Ų024.5 Ų24.50%014%0.136CC..G310 helixtrans-74.9-17.1-175.4-81.8166.1000114.3G37 V86 V92 G161 Q162 P163 F166 F181G37-L159 PolarHBondContact O-N 2.96Å; V86-L159 HydrophobicContact CG1-CD1 3.5Å; V86-L159 VanDerWaalsContact CG1-CD1 3.5Å; V86-L159 HydrophobicContact CG1-CD2 3.63Å; V86-L159 HydrophobicContact CG1-CG 3.53Å; V92-L159 HydrophobicContact CB-CD1 3.57Å; V92-L159 HydrophobicContact CG1-CB 4.12Å; V92-L159 HydrophobicContact CG1-CD1 3.79Å; V92-L159 HydrophobicContact CG2-CB 4.24Å; V92-L159 HydrophobicContact CG2-CD1 3.62Å; L159-G161 PolarHBondContact O-N 3.14Å; L159-Q162 HydrophobicContact CD2-CB 4.27Å; L159-Q162 PolarHBondContact O-N 3.49Å; L159-Q162 VanDerWaalsContact O-N 3.11Å; L159-P163 WeakPolarHBondContact O-CD 3.23Å; L159-F166 HydrophobicContact CD2-CE2 3.62Å; L159-F166 HydrophobicContact CD2-CZ 3.8Å; L159-F181 HydrophobicContact CD1-CE2 4.1Å; L159-F181 HydrophobicContact CD1-CZ 4.01Å; L159-F181 HydrophobicContact CD2-CZ 4.41Å
160H98.6Very high97.9Very high24 Ų2427.9 Ų27.911%0.11115%0.151CC..G310 helixtrans-65.3-26.3175.577.4148000113.3G37 Q38 D119 H120 D147 N158 Q162 P163 E296G37-H160 PolarHBondContact O-N 3.03Å; Q38-H160 HydrophobicContact CB-CB 4.42Å; Q38-H160 HydrophobicContact CG-CB 4.49Å; D119-H160 HydrophobicContact CB-CB 4.08Å; H120-H160 HydrophobicContact CB-CB 4.4Å; D147-H160 VanDerWaalsContact CG-O 3.3Å; D147-H160 VanDerWaalsContact OD2-O 3.05Å; N158-H160 VanDerWaalsContact C-N 3.32Å; N158-H160 PolarHBondContact O-N 3.17Å; H160-Q162 VanDerWaalsContact C-N 3.32Å; H160-Q162 PolarHBondContact O-N 2.89Å; H160-P163 WeakPolarHBondContact O-CD 3.41Å; H160-E296 IonicContact CE1-OE1 3Å; H160-E296 IonicContact CG-OE1 3.21Å; H160-E296 IonicContact ND1-OE1 3.86Å; H160-E296 PolarHBondContact ND1-OE1 2.81Å
161G98.7Very high97.9Very high11 Ų1128.1 Ų28.111%0.11315%0.152CC..G310 helixtrans-9215.217300000114.2D147 N149 L159D147-G161 CarbonylContact C-O 3.59Å; D147-G161 WeakPolarHBondContact OD1-CA 3.4Å; N149-G161 WeakPolarHBondContact CB-O 3.4Å; N149-G161 PolarHBondContact N-O 3.44Å; L159-G161 PolarHBondContact O-N 3.14Å
162Q98.8Very high97.9Very high0 Ų032.6 Ų32.60%017%0.173CC..  trans-125-5.3-178.7-58.1176.15600116.3D147 N149 N158 L159 H160 V164 A165 F166D147-Q162 CarbonylContact O-C 3.58Å; N149-Q162 HydrophobicContact CB-CG 4.03Å; N149-Q162 VanDerWaalsContact O-CA 3.26Å; N149-Q162 WeakPolarHBondContact O-CA 3.16Å; N149-Q162 WeakPolarHBondContact O-CB 3.42Å; N149-Q162 VanDerWaalsContact O-CG 3.28Å; N149-Q162 WeakPolarHBondContact O-CG 3.25Å; N158-Q162 VanDerWaalsContact C-NE2 3.33Å; N158-Q162 PolarHBondContact O-NE2 2.92Å; L159-Q162 HydrophobicContact CD2-CB 4.27Å; L159-Q162 PolarHBondContact O-N 3.49Å; L159-Q162 VanDerWaalsContact O-N 3.11Å; H160-Q162 VanDerWaalsContact C-N 3.32Å; H160-Q162 PolarHBondContact O-N 2.89Å; Q162-V164 VanDerWaalsContact C-N 3.31Å; Q162-V164 PolarHBondContact O-N 3.01Å; Q162-A165 WeakPolarHBondContact O-CB 3.5Å; Q162-A165 PolarHBondContact O-N 3.18Å; Q162-A165 VanDerWaalsContact O-N 3.1Å; Q162-F166 HydrophobicContact CB-CD2 4.38Å; Q162-F166 HydrophobicContact CB-CE2 4Å; Q162-F166 WeakPolarHBondContact O-CD2 3.09Å
163P98.8Very high97.9Very high0 Ų033.4 Ų33.40%018%0.18CC..Hα-helixtrans-58-39.8-16525.8-37000113.4A123 I124 W141 D147 L159 H160 A165 F166 M167A123-P163 HydrophobicContact CB-CB 4.16Å; I124-P163 HydrophobicContact CD1-CB 4.2Å; I124-P163 HydrophobicContact CG1-CB 3.61Å; W141-P163 HydrophobicContact CH2-CB 4.15Å; W141-P163 HydrophobicContact CH2-CG 3.57Å; W141-P163 HydrophobicContact CZ2-CG 3.84Å; D147-P163 HydrophobicContact CB-CG 3.89Å; D147-P163 VanDerWaalsContact O-CD 3.29Å; D147-P163 WeakPolarHBondContact O-CD 3.32Å; L159-P163 WeakPolarHBondContact O-CD 3.23Å; H160-P163 WeakPolarHBondContact O-CD 3.41Å; P163-A165 VanDerWaalsContact C-N 3.28Å; P163-A165 PolarHBondContact O-N 2.88Å; P163-F166 PolarHBondContact O-N 2.65Å; P163-M167 WeakPolarHBondContact O-CG 3.15Å
164V98.8Very high97.8Very high0 Ų037.6 Ų37.60%019%0.194CC..Hα-helixtrans-64.4-35.7-177.1179.60000111.5W141 D147 I148 Q162 F166 M167 L168 L193 Y195W141-V164 HydrophobicContact CD2-CG2 4.02Å; W141-V164 HydrophobicContact CE3-CG2 3.73Å; W141-V164 HydrophobicContact CH2-CG2 3.69Å; W141-V164 HydrophobicContact CZ2-CG2 3.96Å; W141-V164 HydrophobicContact CZ3-CG2 3.59Å; D147-V164 WeakPolarHBondContact O-CB 3.27Å; D147-V164 PolarHBondContact O-N 2.91Å; I148-V164 HydrophobicContact CB-CB 4.12Å; I148-V164 HydrophobicContact CB-CG1 4.37Å; I148-V164 HydrophobicContact CD1-CG1 3.83Å; I148-V164 HydrophobicContact CG1-CB 4.03Å; I148-V164 HydrophobicContact CG1-CG1 3.85Å; Q162-V164 VanDerWaalsContact C-N 3.31Å; Q162-V164 PolarHBondContact O-N 3.01Å; V164-F166 PolarHBondContact O-N 3Å; V164-M167 HydrophobicContact CB-CE 4.38Å; V164-M167 HydrophobicContact CG2-CE 4.06Å; V164-M167 PolarHBondContact O-N 2.97Å; V164-L168 HydrophobicContact CG1-CD1 3.76Å; V164-L168 HydrophobicContact CG1-CD2 4.46Å; V164-L168 HydrophobicContact CG1-CG 3.83Å; V164-L168 WeakPolarHBondContact O-CG 3.5Å; V164-L168 PolarHBondContact O-N 3.1Å; V164-L168 VanDerWaalsContact O-N 3.13Å; V164-L193 HydrophobicContact CG1-CD2 3.58Å; V164-Y195 WeakPolarHBondContact CG1-OH 3.26Å; V164-Y195 WeakPolarHBondContact CG2-OH 3.43Å
165A98.4Very high97.6Very high0 Ų038.9 Ų38.90%020%0.2CC..Hα-helixtrans-61.4-34.1179.300000112.6N149 T150 Q162 P163 M167 L171 I175N149-A165 WeakPolarHBondContact O-CB 3.37Å; T150-A165 HydrophobicContact CG2-CB 4.18Å; Q162-A165 WeakPolarHBondContact O-CB 3.5Å; Q162-A165 PolarHBondContact O-N 3.18Å; Q162-A165 VanDerWaalsContact O-N 3.1Å; P163-A165 VanDerWaalsContact C-N 3.28Å; P163-A165 PolarHBondContact O-N 2.88Å; A165-M167 VanDerWaalsContact C-N 3.27Å; A165-M167 PolarHBondContact O-N 3.09Å; A165-L171 HydrophobicContact CB-CD1 4.16Å; A165-I175 HydrophobicContact CB-CD1 3.9Å
166F98.2Very high97.6Very high10 Ų1036.5 Ų36.54%0.04418%0.184CC..Hα-helixtrans-73.4-17.6176.1-73.8-94.7000113.4I124 P151 L159 Q162 P163 V164 I175 I178 F181I124-F166 HydrophobicContact CD1-CB 4.15Å; I124-F166 HydrophobicContact CD1-CD2 4.09Å; I124-F166 HydrophobicContact CD1-CG 4.14Å; I124-F166 HydrophobicContact CG1-CB 4.38Å; P151-F166 HydrophobicContact CG-CE2 4.37Å; P151-F166 HydrophobicContact CG-CZ 3.94Å; L159-F166 HydrophobicContact CD2-CE2 3.62Å; L159-F166 HydrophobicContact CD2-CZ 3.8Å; Q162-F166 HydrophobicContact CB-CD2 4.38Å; Q162-F166 HydrophobicContact CB-CE2 4Å; Q162-F166 WeakPolarHBondContact O-CD2 3.09Å; P163-F166 PolarHBondContact O-N 2.65Å; V164-F166 PolarHBondContact O-N 3Å; F166-I175 HydrophobicContact CD1-CG2 4.05Å; F166-I175 HydrophobicContact CE1-CG2 3.93Å; F166-I178 HydrophobicContact CE1-CB 4.27Å; F166-I178 HydrophobicContact CE1-CG1 3.96Å; F166-I178 HydrophobicContact CZ-CG1 4.01Å; F166-F181 AromaticContact CD1-CD1 3.81Å; F166-F181 HydrophobicContact CD1-CD1 3.81Å; F166-F181 HydrophobicContact CD1-CE1 4.18Å; F166-F181 HydrophobicContact CD1-CG 4.23Å; F166-F181 HydrophobicContact CE1-CB 4.45Å; F166-F181 AromaticContact CE1-CD1 3.91Å; F166-F181 HydrophobicContact CE1-CD1 3.91Å; F166-F181 HydrophobicContact CE1-CD2 4.3Å; F166-F181 HydrophobicContact CE1-CE1 4.2Å; F166-F181 AromaticContact CE1-CG 3.96Å; F166-F181 HydrophobicContact CE1-CG 3.96Å; F166-F181 HydrophobicContact CE1-CZ 4.49Å
167M98.6Very high97.5Very high1 Ų142 Ų421%0.00521%0.211CC..Hα-helixtrans-99.5-24.9-175.3-60.9-173.4-68.500113.4V127 W141 P163 V164 A165 P186 F187 L188V127-M167 HydrophobicContact CB-SD 3.6Å; V127-M167 HydrophobicContact CG1-SD 3.88Å; V127-M167 HydrophobicContact CG2-CE 4.42Å; V127-M167 HydrophobicContact CG2-SD 3.96Å; W141-M167 HydrophobicContact CH2-CE 4.44Å; W141-M167 HydrophobicContact CZ3-CE 3.87Å; P163-M167 WeakPolarHBondContact O-CG 3.15Å; V164-M167 HydrophobicContact CB-CE 4.38Å; V164-M167 HydrophobicContact CG2-CE 4.06Å; V164-M167 PolarHBondContact O-N 2.97Å; A165-M167 VanDerWaalsContact C-N 3.27Å; A165-M167 PolarHBondContact O-N 3.09Å; M167-P186 CarbonylContact O-C 3.57Å; M167-P186 WeakPolarHBondContact O-CA 3.32Å; M167-F187 HydrophobicContact CB-CE1 4.15Å; M167-F187 HydrophobicContact CB-CZ 4.03Å; M167-F187 HydrophobicContact CG-CE1 3.94Å; M167-F187 HydrophobicContact CG-CZ 3.79Å; M167-F187 PolarHBondContact O-N 3Å; M167-F187 HydrophobicContact SD-CZ 3.85Å; M167-L188 HydrophobicContact CB-CB 4.39Å; M167-L188 WeakPolarHBondContact O-CB 3.49Å; M167-L188 PolarHBondContact O-N 3.36Å
168L98.6Very high97.4Very high0 Ų042.6 Ų42.60%021%0.213CC..BIsolated β-bridgetrans-81.3122.7-174.8-70.5-177.5000113.9I148 V164 E170 L171 P186 L188 L193 L212 I214I148-L168 HydrophobicContact CD1-CD1 3.6Å; I148-L168 HydrophobicContact CG1-CD1 4.3Å; V164-L168 HydrophobicContact CG1-CD1 3.76Å; V164-L168 HydrophobicContact CG1-CD2 4.46Å; V164-L168 HydrophobicContact CG1-CG 3.83Å; V164-L168 WeakPolarHBondContact O-CG 3.5Å; V164-L168 PolarHBondContact O-N 3.1Å; V164-L168 VanDerWaalsContact O-N 3.13Å; L168-E170 VanDerWaalsContact C-N 3.25Å; L168-E170 PolarHBondContact O-N 3.25Å; L168-L171 HydrophobicContact CB-CB 4.35Å; L168-L171 HydrophobicContact CB-CD1 4.21Å; L168-L171 HydrophobicContact CB-CG 4.27Å; L168-L171 HydrophobicContact CD1-CD1 4Å; L168-L171 PolarHBondContact O-N 2.85Å; L168-L171 VanDerWaalsContact O-N 3.1Å; L168-P186 VanDerWaalsContact C-CB 3.44Å; L168-P186 WeakPolarHBondContact O-CB 3.48Å; L168-L188 CarbonylContact C-O 3.52Å; L168-L188 WeakPolarHBondContact CA-O 3.21Å; L168-L188 HydrophobicContact CD2-CB 4.21Å; L168-L188 HydrophobicContact CD2-CD2 4.04Å; L168-L188 HydrophobicContact CD2-CG 4.04Å; L168-L193 HydrophobicContact CD2-CD2 4.4Å; L168-L212 HydrophobicContact CD1-CD1 4.25Å; L168-I214 HydrophobicContact CD1-CD1 3.87Å
169K98.5Very high97.4Very high109 Ų10943.4 Ų43.447%0.47422%0.219SC..G310 helixtrans-56.2-40.7177.7-71.9173.9-176155.60112.1L171 Q172 P186 F187 L188K169-L171 PolarHBondContact O-N 3.48Å; K169-Q172 WeakPolarHBondContact O-CB 3.44Å; K169-Q172 PolarHBondContact O-N 2.83Å; K169-P186 HydrophobicContact CG-CB 4.41Å; K169-F187 WeakPolarHBondContact CE-O 3.45Å; K169-F187 PolarHBondContact NZ-O 2.84Å; K169-L188 WeakPolarHBondContact CG-O 3.25Å; K169-L188 PolarHBondContact N-O 2.83Å
170E98.6Very high97.3Very high75 Ų7544.8 Ų44.835%0.3523%0.234SC..G310 helixtrans-68.3-15.1-177.2-59.982.6176.700113.1L168 S189 S190 L212L168-E170 VanDerWaalsContact C-N 3.25Å; L168-E170 PolarHBondContact O-N 3.25Å; E170-S189 WeakPolarHBondContact OE1-CA 3.31Å; E170-S189 WeakPolarHBondContact OE1-CB 3.48Å; E170-S189 PolarHBondContact OE1-OG 3.17Å; E170-S190 PolarHBondContact OE1-N 3.04Å; E170-S190 VanDerWaalsContact OE1-N 3.13Å; E170-S190 PolarHBondContact OE1-OG 2.75Å; E170-S190 PolarHBondContact OE2-N 3.09Å; E170-S190 VanDerWaalsContact OE2-N 3.11Å; E170-L212 HydrophobicContact CB-CD1 4.16Å; E170-L212 HydrophobicContact CB-CD2 3.76Å
171L97.8Very high97.3Very high10 Ų1044.3 Ų44.35%0.05223%0.232CC..G310 helixtrans-1030.1177.3-66.3178.2000113.6I148 A165 L168 K169 D173 K174 I175 I208 L212I148-L171 HydrophobicContact CG1-CD1 4.2Å; A165-L171 HydrophobicContact CB-CD1 4.16Å; L168-L171 HydrophobicContact CB-CB 4.35Å; L168-L171 HydrophobicContact CB-CD1 4.21Å; L168-L171 HydrophobicContact CB-CG 4.27Å; L168-L171 HydrophobicContact CD1-CD1 4Å; L168-L171 PolarHBondContact O-N 2.85Å; L168-L171 VanDerWaalsContact O-N 3.1Å; K169-L171 PolarHBondContact O-N 3.48Å; L171-D173 VanDerWaalsContact C-N 3.3Å; L171-D173 PolarHBondContact O-N 3.12Å; L171-K174 HydrophobicContact CD2-CG 4.44Å; L171-K174 WeakPolarHBondContact O-CA 3.06Å; L171-K174 WeakPolarHBondContact O-CB 3.33Å; L171-K174 PolarHBondContact O-N 3.26Å; L171-I175 PolarHBondContact O-N 2.87Å; L171-I208 HydrophobicContact CD1-CG2 3.91Å; L171-I208 HydrophobicContact CD2-CG2 4.17Å; L171-L212 HydrophobicContact CD1-CD1 4.24Å; L171-L212 HydrophobicContact CD2-CD1 3.89Å; L171-L212 HydrophobicContact CG-CD1 3.85Å
172Q96.3Very high97.2Very high97 Ų9749.5 Ų49.545%0.45327%0.266SS..G310 helixtrans-50.8-46.7-175.1-175.4180-10.800112.9K169 K174 I175 P186K169-Q172 WeakPolarHBondContact O-CB 3.44Å; K169-Q172 PolarHBondContact O-N 2.83Å; Q172-K174 PolarHBondContact O-N 2.95Å; Q172-I175 PolarHBondContact O-N 2.88Å; Q172-P186 HydrophobicContact CB-CG 3.99Å; Q172-P186 HydrophobicContact CG-CG 4.12Å
173D95.3Very high97.1Very high155 Ų15552.5 Ų52.583%0.82928%0.278SS*.G310 helixtrans-73.6-5-179.4-61-30.7000113.8L171L171-D173 VanDerWaalsContact C-N 3.3Å; L171-D173 PolarHBondContact O-N 3.12Å
174K93.8Very high96.9Very high141 Ų14153.7 Ų53.761%0.61329%0.285SS*.G310 helixtrans-102.9-10.1176.3-54.5-55.3-177.2-171.60112.5T150 L171 Q172 P176T150-K174 HydrophobicContact CG2-CB 4.39Å; L171-K174 HydrophobicContact CD2-CG 4.44Å; L171-K174 WeakPolarHBondContact O-CA 3.06Å; L171-K174 WeakPolarHBondContact O-CB 3.33Å; L171-K174 PolarHBondContact O-N 3.26Å; Q172-K174 PolarHBondContact O-N 2.95Å; K174-P176 WeakPolarHBondContact O-CD 3.41Å
175I94.6Very high96.5Very high32 Ų3261.2 Ų61.216%0.16432%0.318CS..SBendtrans-93.9111.3175.9-56.9-56.3000108.6T150 A165 F166 L171 Q172T150-I175 HydrophobicContact CG2-CD1 3.89Å; A165-I175 HydrophobicContact CB-CD1 3.9Å; F166-I175 HydrophobicContact CD1-CG2 4.05Å; F166-I175 HydrophobicContact CE1-CG2 3.93Å; L171-I175 PolarHBondContact O-N 2.87Å; Q172-I175 PolarHBondContact O-N 2.88Å
176P94.3Very high96.4Very high40 Ų4062.4 Ų62.426%0.2633%0.326SS..  trans-67.9164.3173.328.8-33.9000111.2M84 P151 K174 I178M84-P176 HydrophobicContact CE-CB 3.76Å; M84-P176 HydrophobicContact CE-CG 3.24Å; M84-P176 HydrophobicContact SD-CB 4.37Å; M84-P176 HydrophobicContact SD-CG 4.16Å; P151-P176 HydrophobicContact CB-CG 3.99Å; P151-P176 HydrophobicContact CG-CG 4.24Å; K174-P176 WeakPolarHBondContact O-CD 3.41Å; P176-I178 HydrophobicContact CG-CD1 3.88Å; P176-I178 WeakPolarHBondContact O-CG1 3.35Å; P176-I178 PolarHBondContact O-N 3.46Å
177D95.3Very high96.3Very high160 Ų16063.9 Ų63.986%0.85633%0.332SS*.  trans-65.996.3176.3-71.8-36.3000111.1
178I97.3Very high96.3Very high11 Ų1164.1 Ų64.16%0.05633%0.333CS..  trans-87.7127178-55.8-55000110.4M84 V86 P89 P151 F166 P176 G180 F181M84-I178 HydrophobicContact CE-CD1 3.3Å; V86-I178 HydrophobicContact CG1-CG2 4.31Å; V86-I178 HydrophobicContact CG2-CD1 3.93Å; P89-I178 HydrophobicContact CB-CG2 3.5Å; P151-I178 HydrophobicContact CB-CD1 4.11Å; P151-I178 HydrophobicContact CG-CD1 3.9Å; P151-I178 HydrophobicContact CG-CG1 3.99Å; F166-I178 HydrophobicContact CE1-CB 4.27Å; F166-I178 HydrophobicContact CE1-CG1 3.96Å; F166-I178 HydrophobicContact CZ-CG1 4.01Å; P176-I178 HydrophobicContact CG-CD1 3.88Å; P176-I178 WeakPolarHBondContact O-CG1 3.35Å; P176-I178 PolarHBondContact O-N 3.46Å; I178-G180 PolarHBondContact O-N 3.09Å; I178-F181 HydrophobicContact CB-CB 4.49Å; I178-F181 HydrophobicContact CB-CD2 3.88Å; I178-F181 HydrophobicContact CB-CG 4.47Å; I178-F181 HydrophobicContact CG2-CD2 3.53Å; I178-F181 HydrophobicContact CG2-CE2 3.85Å; I178-F181 PolarHBondContact O-N 3.33Å; I178-F181 VanDerWaalsContact O-N 3.14Å
179P97.2Very high96.2Very high35 Ų3564.8 Ų64.823%0.22734%0.338CS..THydrogen-bonded Turntrans-53133.3174.2-27.635.2000112.4H83 P89 R90H83-P179 HydrophobicContact CB-CG 4.15Å; H83-P179 VanDerWaalsContact CD2-CD 3.45Å; H83-P179 WeakPolarHBondContact CD2-CD 3.31Å; H83-P179 VanDerWaalsContact CG-CD 3.47Å; P89-P179 CarbonylContact C-O 3.3Å; R90-P179 HydrophobicContact CG-CB 3.88Å
180G96.8Very high96.2Very high30 Ų3060.2 Ų60.231%0.30932%0.32SS..THydrogen-bonded Turntrans90.3-9.2-178.200000115.3G93 I178 W183G93-G180 CarbonylContact C-O 3.48Å; G93-G180 VanDerWaalsContact CA-O 3.28Å; G93-G180 WeakPolarHBondContact CA-O 3.48Å; I178-G180 PolarHBondContact O-N 3.09Å; G180-W183 PolarHBondContact O-NE1 3.21Å; G180-W183 VanDerWaalsContact O-NE1 3.13Å
181F97.9Very high96.2Very high13 Ų1364 Ų646%0.05733%0.331CS..  trans-106.6-2.2-177.6-71.4-92.6000115.2P89 V92 I124 L159 F166 I178 W183 T184P89-F181 VanDerWaalsContact O-CE2 3.27Å; P89-F181 WeakPolarHBondContact O-CE2 3.18Å; V92-F181 HydrophobicContact CB-CZ 4.16Å; V92-F181 HydrophobicContact CG1-CZ 3.86Å; I124-F181 HydrophobicContact CD1-CE1 3.67Å; I124-F181 HydrophobicContact CD1-CZ 4.32Å; I124-F181 HydrophobicContact CG2-CE1 4.35Å; L159-F181 HydrophobicContact CD1-CE2 4.1Å; L159-F181 HydrophobicContact CD1-CZ 4.01Å; L159-F181 HydrophobicContact CD2-CZ 4.41Å; F166-F181 AromaticContact CD1-CD1 3.81Å; F166-F181 HydrophobicContact CD1-CD1 3.81Å; F166-F181 HydrophobicContact CD1-CE1 4.18Å; F166-F181 HydrophobicContact CD1-CG 4.23Å; F166-F181 HydrophobicContact CE1-CB 4.45Å; F166-F181 AromaticContact CE1-CD1 3.91Å; F166-F181 HydrophobicContact CE1-CD1 3.91Å; F166-F181 HydrophobicContact CE1-CD2 4.3Å; F166-F181 HydrophobicContact CE1-CE1 4.2Å; F166-F181 AromaticContact CE1-CG 3.96Å; F166-F181 HydrophobicContact CE1-CG 3.96Å; F166-F181 HydrophobicContact CE1-CZ 4.49Å; I178-F181 HydrophobicContact CB-CB 4.49Å; I178-F181 HydrophobicContact CB-CD2 3.88Å; I178-F181 HydrophobicContact CB-CG 4.47Å; I178-F181 HydrophobicContact CG2-CD2 3.53Å; I178-F181 HydrophobicContact CG2-CE2 3.85Å; I178-F181 PolarHBondContact O-N 3.33Å; I178-F181 VanDerWaalsContact O-N 3.14Å; F181-W183 PolarHBondContact O-N 3.5Å; F181-T184 PolarHBondContact O-N 3.39Å; F181-T184 VanDerWaalsContact O-N 3.09Å
182S96.9Very high96.2Very high121 Ų12164.5 Ų64.585%0.84633%0.334SS*.THydrogen-bonded Turntrans-56.8-15.8-179.962.10000115.8
183W97.6Very high96.3Very high62 Ų6259.9 Ų59.924%0.23531%0.312CS..THydrogen-bonded Turntrans-79.6-16.118065.8-91.7000113.8G93 N96 Q97 I124 G180 F181G93-W183 PolarHBondContact O-NE1 2.64Å; N96-W183 VanDerWaalsContact C-CZ2 3.5Å; N96-W183 HydrophobicContact CB-CH2 4.37Å; N96-W183 HydrophobicContact CB-CZ2 3.76Å; Q97-W183 HydrophobicContact CB-CD2 3.77Å; Q97-W183 HydrophobicContact CB-CE3 4.37Å; Q97-W183 HydrophobicContact CB-CG 3.98Å; Q97-W183 HydrophobicContact CB-CZ2 4.13Å; Q97-W183 HydrophobicContact CG-CB 4.2Å; Q97-W183 HydrophobicContact CG-CD2 3.68Å; Q97-W183 HydrophobicContact CG-CE3 4.07Å; Q97-W183 HydrophobicContact CG-CG 3.7Å; Q97-W183 VanDerWaalsContact N-CZ2 3.32Å; I124-W183 HydrophobicContact CG2-CZ2 4.5Å; G180-W183 PolarHBondContact O-NE1 3.21Å; G180-W183 VanDerWaalsContact O-NE1 3.13Å; F181-W183 PolarHBondContact O-N 3.5Å
184T93.2Very high96.5Very high26 Ų2652.5 Ų52.516%0.1627%0.273CS..  trans-120.1152.9-179.6-168.30000110.9S128 F181S128-T184 PolarHBondContact OG-OG1 3.08Å; F181-T184 PolarHBondContact O-N 3.39Å; F181-T184 VanDerWaalsContact O-N 3.09Å
185K91.7Very high96.8Very high157 Ų15745.8 Ų45.868%0.68324%0.244SC*.  trans-132.2148.7170.9-68.4-172.1178.2-175.20107.9F187K185-F187 WeakPolarHBondContact O-CD1 3.46Å; K185-F187 PolarHBondContact O-N 2.85Å
186P95.3Very high97Very high26 Ų2644.3 Ų44.317%0.16924%0.236CC..  trans-53.8135179-28.136.1000113.2M167 L168 K169 Q172M167-P186 CarbonylContact O-C 3.57Å; M167-P186 WeakPolarHBondContact O-CA 3.32Å; L168-P186 VanDerWaalsContact C-CB 3.44Å; L168-P186 WeakPolarHBondContact O-CB 3.48Å; K169-P186 HydrophobicContact CG-CB 4.41Å; Q172-P186 HydrophobicContact CB-CG 3.99Å; Q172-P186 HydrophobicContact CG-CG 4.12Å
187F96.4Very high97.2Very high41 Ų4142.4 Ų42.418%0.1822%0.223CC..  trans-134.5-15.4-169.157.5-91.6000113.4V127 S128 A131 M167 K169 K185V127-F187 HydrophobicContact CB-CE2 4.3Å; V127-F187 HydrophobicContact CB-CZ 4.08Å; V127-F187 HydrophobicContact CG1-CE2 3.5Å; V127-F187 VanDerWaalsContact CG1-CE2 3.5Å; V127-F187 HydrophobicContact CG1-CZ 3.74Å; S128-F187 VanDerWaalsContact CA-CZ 3.48Å; S128-F187 WeakPolarHBondContact OG-CE1 3.34Å; A131-F187 HydrophobicContact CB-CD2 3.39Å; A131-F187 HydrophobicContact CB-CE2 3.62Å; A131-F187 HydrophobicContact CB-CG 4.18Å; M167-F187 HydrophobicContact CB-CE1 4.15Å; M167-F187 HydrophobicContact CB-CZ 4.03Å; M167-F187 HydrophobicContact CG-CE1 3.94Å; M167-F187 HydrophobicContact CG-CZ 3.79Å; M167-F187 PolarHBondContact O-N 3Å; M167-F187 HydrophobicContact SD-CZ 3.85Å; K169-F187 WeakPolarHBondContact CE-O 3.45Å; K169-F187 PolarHBondContact NZ-O 2.84Å; K185-F187 WeakPolarHBondContact O-CD1 3.46Å; K185-F187 PolarHBondContact O-N 2.85Å
188L98.1Very high97.4Very high5 Ų534.9 Ų34.93%0.02618%0.183CC..BIsolated β-bridgetrans-94.9142.6176.9-171.965.5000110.4L137 V139 M167 L168 K169 D192 L193L137-L188 HydrophobicContact CD1-CD1 4.27Å; V139-L188 HydrophobicContact CB-CD2 4.31Å; V139-L188 HydrophobicContact CG2-CD1 3.96Å; V139-L188 HydrophobicContact CG2-CD2 3.79Å; M167-L188 HydrophobicContact CB-CB 4.39Å; M167-L188 WeakPolarHBondContact O-CB 3.49Å; M167-L188 PolarHBondContact O-N 3.36Å; L168-L188 CarbonylContact C-O 3.52Å; L168-L188 WeakPolarHBondContact CA-O 3.21Å; L168-L188 HydrophobicContact CD2-CB 4.21Å; L168-L188 HydrophobicContact CD2-CD2 4.04Å; L168-L188 HydrophobicContact CD2-CG 4.04Å; K169-L188 WeakPolarHBondContact CG-O 3.25Å; K169-L188 PolarHBondContact N-O 2.83Å; L188-D192 HydrophobicContact CD1-CB 3.85Å; L188-L193 HydrophobicContact CD2-CB 4.24Å
189S98.3Very high97.4Very high14 Ų1436.9 Ų36.910%0.09819%0.19CC..  trans-98.9148.7169.3178.60000109.5E170 R191 D192E170-S189 WeakPolarHBondContact OE1-CA 3.31Å; E170-S189 WeakPolarHBondContact OE1-CB 3.48Å; E170-S189 PolarHBondContact OE1-OG 3.17Å; S189-R191 PolarHBondContact O-N 3.2Å; S189-D192 WeakPolarHBondContact CB-OD2 3.46Å; S189-D192 PolarHBondContact O-N 3.46Å
190S98.1Very high97.5Very high14 Ų1439.1 Ų39.110%0.09820%0.2CC..G310 helixtrans-53.7-29.8179.462.70000114E170 D192 L212E170-S190 PolarHBondContact OE1-N 3.04Å; E170-S190 VanDerWaalsContact OE1-N 3.13Å; E170-S190 PolarHBondContact OE1-OG 2.75Å; E170-S190 PolarHBondContact OE2-N 3.09Å; E170-S190 VanDerWaalsContact OE2-N 3.11Å; S190-D192 VanDerWaalsContact C-N 3.29Å; S190-D192 PolarHBondContact O-N 3.24Å; S190-L212 PolarHBondContact OG-O 3.04Å
191R97.9Very high97.6Very high155 Ų15539.8 Ų39.859%0.58520%0.198SC*.G310 helixtrans-76.7-11.3177.875.1-170-178.5-178.1-3114.8S189 H237S189-R191 PolarHBondContact O-N 3.2Å; R191-H237 PolarHBondContact O-NE2 2.89Å
192D98.6Very high97.6Very high20 Ų2041.5 Ų41.511%0.10721%0.208CC..G310 helixtrans-102.713.2-178.4-59-44.5000110.7C138 V139 L188 S189 S190 R244C138-D192 CarbonylContact C-O 3.57Å; C138-D192 VanDerWaalsContact CA-O 3.31Å; C138-D192 WeakPolarHBondContact CA-O 3.41Å; C138-D192 WeakPolarHBondContact CB-O 3.46Å; V139-D192 PolarHBondContact N-O 3.3Å; L188-D192 HydrophobicContact CD1-CB 3.85Å; S189-D192 WeakPolarHBondContact CB-OD2 3.46Å; S189-D192 PolarHBondContact O-N 3.46Å; S190-D192 VanDerWaalsContact C-N 3.29Å; S190-D192 PolarHBondContact O-N 3.24Å; D192-R244 IonicContact OD1-CZ 3.83Å; D192-R244 IonicContact OD1-NH1 3.73Å; D192-R244 PolarHBondContact OD1-NH1 3.04Å; D192-R244 IonicContact OD1-NH2 2.89Å; D192-R244 PolarHBondContact OD1-NH2 2.97Å
193L98.8Very high97.7Very high0 Ų041 Ų410%020%0.202CC..EExtended strand (participates in β ladder)trans-126.2134.4-179.6174.663.4000110.2V139 W141 V164 L168 L188 Y195 I214V139-L193 HydrophobicContact CB-CD1 3.81Å; V139-L193 HydrophobicContact CG1-CD1 3.74Å; V139-L193 WeakPolarHBondContact O-CA 3.31Å; W141-L193 HydrophobicContact CB-CD1 4.03Å; V164-L193 HydrophobicContact CG1-CD2 3.58Å; L168-L193 HydrophobicContact CD2-CD2 4.4Å; L188-L193 HydrophobicContact CD2-CB 4.24Å; L193-Y195 HydrophobicContact CD1-CE2 4.44Å; L193-Y195 HydrophobicContact CD2-CD2 4.39Å; L193-Y195 HydrophobicContact CD2-CE2 3.53Å; L193-Y195 HydrophobicContact CG-CD2 4.33Å; L193-Y195 HydrophobicContact CG-CE2 3.93Å; L193-I214 HydrophobicContact CD2-CG2 4.24Å; L193-I214 HydrophobicContact CG-CG2 4.34Å
194V98.9Very high97.7Very high0 Ų039.1 Ų39.10%020%0.201CC..EExtended strand (participates in β ladder)trans-130.1134.1168.1176.40000109.8V139 I140 W141 V196 Q215 F217 A234 H237 L238V139-V194 PolarHBondContact O-N 3.33Å; I140-V194 WeakPolarHBondContact CA-O 3.18Å; W141-V194 PolarHBondContact N-O 3.46Å; V194-V196 HydrophobicContact CG1-CG2 4.39Å; V194-Q215 WeakPolarHBondContact CA-O 3.26Å; V194-Q215 HydrophobicContact CG1-CG 4.27Å; V194-Q215 HydrophobicContact CG2-CB 4.06Å; V194-Q215 HydrophobicContact CG2-CG 4.08Å; V194-F217 HydrophobicContact CG1-CD2 3.95Å; V194-F217 HydrophobicContact CG1-CE2 3.83Å; V194-A234 HydrophobicContact CG1-CB 3.84Å; V194-H237 HydrophobicContact CG2-CB 4.47Å; V194-L238 HydrophobicContact CB-CD1 4.21Å; V194-L238 HydrophobicContact CG2-CD1 3.85Å; V194-L238 HydrophobicContact CG2-CD2 3.87Å; V194-L238 HydrophobicContact CG2-CG 3.67Å
195Y98.9Very high98Very high0 Ų038.1 Ų38.10%020%0.195CC..EExtended strand (participates in β ladder)trans-96.8146169.9-66.1-91.2000112.7W141 A146 V164 L193 L198 L209 I214 Q215 Y216 F217W141-Y195 HydrophobicContact CB-CD1 3.58Å; W141-Y195 HydrophobicContact CB-CE1 3.79Å; W141-Y195 HydrophobicContact CB-CG 4.29Å; W141-Y195 AromaticContact CD1-CD1 3.49Å; W141-Y195 VanDerWaalsContact CD1-CD1 3.49Å; W141-Y195 AromaticContact CD1-CE1 3.45Å; W141-Y195 VanDerWaalsContact CD1-CE1 3.45Å; W141-Y195 HydrophobicContact CD2-CE1 4.16Å; W141-Y195 AromaticContact CG-CD1 3.65Å; W141-Y195 HydrophobicContact CG-CD1 3.65Å; W141-Y195 AromaticContact CG-CE1 3.5Å; W141-Y195 HydrophobicContact CG-CE1 3.5Å; W141-Y195 CarbonylContact O-C 3.22Å; W141-Y195 VanDerWaalsContact O-CA 3.27Å; W141-Y195 WeakPolarHBondContact O-CA 3.14Å; A146-Y195 HydrophobicContact CB-CE1 4.48Å; A146-Y195 WeakPolarHBondContact O-CE1 3.41Å; A146-Y195 PolarHBondContact O-OH 3.02Å; V164-Y195 WeakPolarHBondContact CG1-OH 3.26Å; V164-Y195 WeakPolarHBondContact CG2-OH 3.43Å; L193-Y195 HydrophobicContact CD1-CE2 4.44Å; L193-Y195 HydrophobicContact CD2-CD2 4.39Å; L193-Y195 HydrophobicContact CD2-CE2 3.53Å; L193-Y195 HydrophobicContact CG-CD2 4.33Å; L193-Y195 HydrophobicContact CG-CE2 3.93Å; Y195-L198 HydrophobicContact CD1-CD2 3.91Å; Y195-L198 HydrophobicContact CG-CD1 4.14Å; Y195-L198 HydrophobicContact CG-CD2 4.23Å; Y195-L198 HydrophobicContact CG-CG 4.39Å; Y195-L209 HydrophobicContact CD2-CD2 4.01Å; Y195-L209 HydrophobicContact CE2-CD2 3.67Å; Y195-I214 HydrophobicContact CD2-CG2 3.86Å; Y195-I214 HydrophobicContact CE2-CG2 3.79Å; Y195-Q215 PolarHBondContact N-O 3.44Å; Y195-Q215 VanDerWaalsContact N-O 3.07Å; Y195-Y216 CarbonylContact O-C 3.56Å; Y195-Y216 WeakPolarHBondContact O-CA 3.33Å; Y195-F217 PolarHBondContact O-N 3.38Å
196V98.9Very high98.3Very high0 Ų034.9 Ų34.90%018%0.182CC..EExtended strand (participates in β ladder)trans-137.2127.8172.1-174.40000109.6I140 W141 V142 D143 V194 F217 I222 I227 V230 L279I140-V196 HydrophobicContact CG2-CG2 4.47Å; W141-V196 PolarHBondContact O-N 3.43Å; V142-V196 WeakPolarHBondContact CA-O 3.37Å; D143-V196 PolarHBondContact N-O 3.2Å; D143-V196 VanDerWaalsContact N-O 3.09Å; V194-V196 HydrophobicContact CG1-CG2 4.39Å; V196-F217 HydrophobicContact CG2-CD2 4.32Å; V196-I222 HydrophobicContact CG1-CD1 4.04Å; V196-I227 HydrophobicContact CG1-CD1 4.37Å; V196-V230 HydrophobicContact CG1-CG1 4Å; V196-V230 HydrophobicContact CG2-CG1 4.33Å; V196-L279 HydrophobicContact CB-CD1 4.15Å; V196-L279 HydrophobicContact CG1-CD1 3.87Å; V196-L279 HydrophobicContact CG2-CD1 4.39Å
197G98.8Very high98.5Very high0 Ų038.9 Ų38.90%020%0.198CC..EExtended strand (participates in β ladder)trans106.80.7174.400000115.6D143 R199 F217 M219D143-G197 CarbonylContact O-C 3.57Å; D143-G197 WeakPolarHBondContact O-CA 3.28Å; G197-R199 PolarHBondContact O-N 3.22Å; G197-R199 PolarHBondContact O-NH1 3.03Å; G197-F217 PolarHBondContact N-O 2.88Å; G197-M219 WeakPolarHBondContact O-CG 3.22Å
198L98.9Very high98.6Very high2 Ų237.6 Ų37.61%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-56.5130.5-174.9-61.3-171.3000112.1D143 A144 H145 A146 Y195 V201 L209 Y216 F217 T218 M219D143-L198 PolarHBondContact O-N 2.87Å; A144-L198 WeakPolarHBondContact O-CA 3.24Å; H145-L198 VanDerWaalsContact C-CD2 3.47Å; H145-L198 WeakPolarHBondContact O-CD2 3.37Å; A146-L198 HydrophobicContact CB-CD2 4.37Å; Y195-L198 HydrophobicContact CD1-CD2 3.91Å; Y195-L198 HydrophobicContact CG-CD1 4.14Å; Y195-L198 HydrophobicContact CG-CD2 4.23Å; Y195-L198 HydrophobicContact CG-CG 4.39Å; L198-V201 HydrophobicContact CB-CG2 4.02Å; L198-V201 HydrophobicContact CD1-CG2 4.2Å; L198-L209 HydrophobicContact CD1-CD1 4.04Å; L198-Y216 HydrophobicContact CD1-CD2 4.04Å; L198-Y216 HydrophobicContact CD1-CG 4.04Å; L198-F217 PolarHBondContact N-O 2.88Å; L198-T218 HydrophobicContact CB-CG2 4.24Å; L198-T218 CarbonylContact O-C 3.46Å; L198-T218 WeakPolarHBondContact O-CA 3.26Å; L198-T218 VanDerWaalsContact O-CB 3.29Å; L198-T218 WeakPolarHBondContact O-CB 3.38Å; L198-M219 PolarHBondContact O-N 3.41Å
199R98.8Very high98.6Very high53 Ų5337.4 Ų37.420%0.219%0.192CC..  trans-154.4-9178.260.1-178.3-179.1-78.15115.2A144 G197 M219 D253 A254 F255 V267 G269A144-R199 HydrophobicContact CB-CG 4.02Å; A144-R199 VanDerWaalsContact CB-CZ 3.48Å; A144-R199 PolarHBondContact O-N 3.48Å; G197-R199 PolarHBondContact O-N 3.22Å; G197-R199 PolarHBondContact O-NH1 3.03Å; R199-M219 HydrophobicContact CB-CB 4.4Å; R199-M219 HydrophobicContact CB-CG 3.95Å; R199-M219 HydrophobicContact CG-CG 4.24Å; R199-D253 PolarHBondContact NH2-O 3.04Å; R199-A254 PolarHBondContact NH1-O 3.22Å; R199-A254 PolarHBondContact NH2-O 3.43Å; R199-F255 PolarHBondContact NH2-O 2.63Å; R199-V267 HydrophobicContact CG-CB 4.3Å; R199-V267 HydrophobicContact CG-CG1 3.81Å; R199-V267 PolarHBondContact NE-O 2.87Å; R199-V267 PolarHBondContact NH2-O 3.47Å; R199-G269 WeakPolarHBondContact CD-O 3.35Å
200D98.8Very high98.6Very high82 Ų8242.3 Ų42.344%0.43921%0.211SC..  trans-132.799.6167.9-16718.2000109.2A144 H145 V267A144-D200 PolarHBondContact O-N 2.76Å; H145-D200 WeakPolarHBondContact CA-O 3.37Å; H145-D200 IonicContact NE2-OD2 3.64Å; D200-V267 HydrophobicContact CB-CG1 4.18Å; D200-V267 HydrophobicContact CB-CG2 3.86Å
201V98.8Very high98.6Very high44 Ų4446.7 Ų46.727%0.26723%0.234SC..  trans-128.3121.5-171.4-178.30000108.6A146 L198 E205 H206 L209A146-V201 HydrophobicContact CB-CG1 4.2Å; L198-V201 HydrophobicContact CB-CG2 4.02Å; L198-V201 HydrophobicContact CD1-CG2 4.2Å; V201-E205 HydrophobicContact CG1-CB 3.72Å; V201-H206 HydrophobicContact CG1-CB 4.03Å; V201-L209 HydrophobicContact CG1-CD1 4.05Å
202D98.7Very high98.7Very high50 Ų5041.4 Ų41.427%0.26722%0.217SC..  trans-63152.8179.6-80.4-35.2000111.2N149 P155 G204 E205 H206N149-D202 PolarHBondContact ND2-OD2 3.2Å; P155-D202 WeakPolarHBondContact CD-OD2 3.37Å; P155-D202 VanDerWaalsContact CG-OD2 3.31Å; P155-D202 WeakPolarHBondContact CG-OD2 3.41Å; D202-G204 PolarHBondContact O-N 2.9Å; D202-E205 HydrophobicContact CB-CB 4.33Å; D202-E205 HydrophobicContact CB-CG 3.97Å; D202-E205 PolarHBondContact N-OE2 3.09Å; D202-E205 WeakPolarHBondContact O-CB 3.04Å; D202-E205 PolarHBondContact O-N 3.48Å; D202-E205 VanDerWaalsContact O-N 3.09Å; D202-H206 PolarHBondContact O-N 2.94Å
203P98.4Very high98.6Very high111 Ų11143.1 Ų43.172%0.72124%0.24SC*.Hα-helixtrans-55.6-36.7175.4-2735.2000113.7H207P203-H207 WeakPolarHBondContact O-CB 3.13Å; P203-H207 PolarHBondContact O-N 3.29Å
204G97.6Very high98.6Very high21 Ų2143.4 Ų43.422%0.21624%0.241CC..Hα-helixtrans-66.2-42.1176.800000112.4D202 H207 I208D202-G204 PolarHBondContact O-N 2.9Å; G204-H207 WeakPolarHBondContact O-CB 3.44Å; G204-H207 PolarHBondContact O-N 3.36Å; G204-I208 WeakPolarHBondContact O-CG1 3.46Å; G204-I208 PolarHBondContact O-N 3.16Å; G204-I208 VanDerWaalsContact O-N 3.11Å
205E98.8Very high98.6Very high6 Ų646.3 Ų46.33%0.02826%0.255CS..Hα-helixtrans-67-46.9176.4-64.3-176.8128.100111.6A146 D147 I148 N149 V201 D202 H207 I208 L209A146-E205 HydrophobicContact CB-CB 4.14Å; D147-E205 PolarHBondContact N-OE1 3.38Å; D147-E205 VanDerWaalsContact N-OE1 3.1Å; I148-E205 HydrophobicContact CG2-CB 3.61Å; I148-E205 HydrophobicContact CG2-CG 3.67Å; I148-E205 PolarHBondContact N-OE1 3.27Å; N149-E205 HydrophobicContact CB-CG 4.32Å; N149-E205 VanDerWaalsContact CG-CG 3.49Å; N149-E205 PolarHBondContact N-OE1 2.98Å; N149-E205 WeakPolarHBondContact ND2-CG 3.27Å; N149-E205 PolarHBondContact ND2-OE1 3.45Å; V201-E205 HydrophobicContact CG1-CB 3.72Å; D202-E205 HydrophobicContact CB-CB 4.33Å; D202-E205 HydrophobicContact CB-CG 3.97Å; D202-E205 PolarHBondContact N-OE2 3.09Å; D202-E205 WeakPolarHBondContact O-CB 3.04Å; D202-E205 PolarHBondContact O-N 3.48Å; D202-E205 VanDerWaalsContact O-N 3.09Å; E205-H207 PolarHBondContact O-N 3.25Å; E205-I208 WeakPolarHBondContact O-CB 3.49Å; E205-I208 PolarHBondContact O-N 2.93Å; E205-L209 WeakPolarHBondContact O-CG 3.28Å; E205-L209 PolarHBondContact O-N 3.28Å
206H98.8Very high98.6Very high89 Ų8948.1 Ų48.141%0.41226%0.262SS..Hα-helixtrans-58.2-38.8176.7-179.7-97.6000111.5V201 D202 K210V201-H206 HydrophobicContact CG1-CB 4.03Å; D202-H206 PolarHBondContact O-N 2.94Å; H206-K210 VanDerWaalsContact NE2-CE 3.32Å; H206-K210 WeakPolarHBondContact NE2-CE 3.26Å; H206-K210 WeakPolarHBondContact O-CB 3.17Å; H206-K210 VanDerWaalsContact O-CG 3.31Å; H206-K210 WeakPolarHBondContact O-CG 3.37Å; H206-K210 PolarHBondContact O-N 2.72Å
207H98.4Very high98.6Very high110 Ų11048.5 Ų48.551%0.50926%0.264SS..Hα-helixtrans-61.8-45173.5-176.972.3000112.3P203 G204 E205 K210 N211P203-H207 WeakPolarHBondContact O-CB 3.13Å; P203-H207 PolarHBondContact O-N 3.29Å; G204-H207 WeakPolarHBondContact O-CB 3.44Å; G204-H207 PolarHBondContact O-N 3.36Å; E205-H207 PolarHBondContact O-N 3.25Å; H207-K210 PolarHBondContact O-N 3.32Å; H207-N211 PolarHBondContact CD2-ND2 3.03Å; H207-N211 VanDerWaalsContact CD2-ND2 3.3Å; H207-N211 PolarHBondContact CE1-ND2 2.83Å; H207-N211 PolarHBondContact NE2-ND2 2.89Å; H207-N211 WeakPolarHBondContact O-CB 3.39Å; H207-N211 PolarHBondContact O-N 2.97Å; H207-N211 PolarHBondContact O-OD1 3.04Å
208I98.7Very high98.6Very high13 Ų1350.1 Ų50.17%0.06727%0.273CS..Hα-helixtrans-62-50176.9-68.4166.2000110.7I148 T150 L171 G204 E205 K210 N211 L212I148-I208 HydrophobicContact CD1-CG2 3.65Å; I148-I208 HydrophobicContact CG1-CG2 3.98Å; I148-I208 WeakPolarHBondContact O-CD1 3.39Å; T150-I208 HydrophobicContact CG2-CD1 4.17Å; L171-I208 HydrophobicContact CD1-CG2 3.91Å; L171-I208 HydrophobicContact CD2-CG2 4.17Å; G204-I208 WeakPolarHBondContact O-CG1 3.46Å; G204-I208 PolarHBondContact O-N 3.16Å; G204-I208 VanDerWaalsContact O-N 3.11Å; E205-I208 WeakPolarHBondContact O-CB 3.49Å; E205-I208 PolarHBondContact O-N 2.93Å; I208-K210 VanDerWaalsContact C-N 3.31Å; I208-K210 PolarHBondContact O-N 3.18Å; I208-N211 PolarHBondContact O-N 3.31Å; I208-L212 HydrophobicContact CG2-CD1 3.77Å; I208-L212 HydrophobicContact CG2-CG 4.28Å; I208-L212 WeakPolarHBondContact O-CB 2.97Å; I208-L212 WeakPolarHBondContact O-CG 3.29Å; I208-L212 PolarHBondContact O-N 3.15Å
209L98.8Very high98.6Very high1 Ų150.9 Ų50.91%0.00528%0.277CS..Hα-helixtrans-54.2-47.2178.8-70.7173000111.4A146 I148 Y195 L198 V201 E205 G213 I214 Y216A146-L209 HydrophobicContact CB-CD1 4.09Å; I148-L209 HydrophobicContact CD1-CD2 4.43Å; Y195-L209 HydrophobicContact CD2-CD2 4.01Å; Y195-L209 HydrophobicContact CE2-CD2 3.67Å; L198-L209 HydrophobicContact CD1-CD1 4.04Å; V201-L209 HydrophobicContact CG1-CD1 4.05Å; E205-L209 WeakPolarHBondContact O-CG 3.28Å; E205-L209 PolarHBondContact O-N 3.28Å; L209-G213 PolarHBondContact O-N 2.98Å; L209-I214 HydrophobicContact CD2-CB 3.93Å; L209-I214 HydrophobicContact CD2-CD1 4.04Å; L209-I214 HydrophobicContact CD2-CG2 3.96Å; L209-I214 PolarHBondContact O-N 2.57Å; L209-I214 VanDerWaalsContact O-N 3.08Å; L209-Y216 HydrophobicContact CB-CD1 4.29Å; L209-Y216 HydrophobicContact CB-CE1 4.08Å; L209-Y216 HydrophobicContact CD1-CD1 4.37Å; L209-Y216 HydrophobicContact CD2-CD1 4.41Å
210K98.6Very high98.6Very high117 Ų11757.9 Ų57.951%0.50930%0.303SS..Hα-helixtrans-67.5-46.9179-71.1-58.4-169.9-169.20112.9H206 H207 I208 G213 Y216H206-K210 VanDerWaalsContact NE2-CE 3.32Å; H206-K210 WeakPolarHBondContact NE2-CE 3.26Å; H206-K210 WeakPolarHBondContact O-CB 3.17Å; H206-K210 VanDerWaalsContact O-CG 3.31Å; H206-K210 WeakPolarHBondContact O-CG 3.37Å; H206-K210 PolarHBondContact O-N 2.72Å; H207-K210 PolarHBondContact O-N 3.32Å; I208-K210 VanDerWaalsContact C-N 3.31Å; I208-K210 PolarHBondContact O-N 3.18Å; K210-G213 PolarHBondContact O-N 2.96Å; K210-Y216 WeakPolarHBondContact CE-OH 3.29Å; K210-Y216 PolarHBondContact NZ-OH 3.23Å
211N98.4Very high98.6Very high106 Ų10655.3 Ų55.357%0.56729%0.29SS*.Hα-helixtrans-66.5-39.4-176.4-74.3-5.5000112.6H207 I208 G213H207-N211 PolarHBondContact CD2-ND2 3.03Å; H207-N211 VanDerWaalsContact CD2-ND2 3.3Å; H207-N211 PolarHBondContact CE1-ND2 2.83Å; H207-N211 PolarHBondContact NE2-ND2 2.89Å; H207-N211 WeakPolarHBondContact O-CB 3.39Å; H207-N211 PolarHBondContact O-N 2.97Å; H207-N211 PolarHBondContact O-OD1 3.04Å; I208-N211 PolarHBondContact O-N 3.31Å; N211-G213 VanDerWaalsContact C-N 3.28Å
212L98.5Very high98.6Very high44 Ų4453.3 Ų53.323%0.2328%0.278CS..Hα-helixtrans-83.5-6.8-179.9-62.3-172.9000113L168 E170 L171 S190 I208 I214L168-L212 HydrophobicContact CD1-CD1 4.25Å; E170-L212 HydrophobicContact CB-CD1 4.16Å; E170-L212 HydrophobicContact CB-CD2 3.76Å; L171-L212 HydrophobicContact CD1-CD1 4.24Å; L171-L212 HydrophobicContact CD2-CD1 3.89Å; L171-L212 HydrophobicContact CG-CD1 3.85Å; S190-L212 PolarHBondContact OG-O 3.04Å; I208-L212 HydrophobicContact CG2-CD1 3.77Å; I208-L212 HydrophobicContact CG2-CG 4.28Å; I208-L212 WeakPolarHBondContact O-CB 2.97Å; I208-L212 WeakPolarHBondContact O-CG 3.29Å; I208-L212 PolarHBondContact O-N 3.15Å; L212-I214 HydrophobicContact CB-CD1 4.01Å; L212-I214 HydrophobicContact CB-CG1 3.9Å; L212-I214 HydrophobicContact CD1-CD1 4.05Å; L212-I214 PolarHBondContact O-N 3.28Å
213G98.3Very high98.6Very high57 Ų5757.1 Ų57.159%0.58830%0.298SS*.THydrogen-bonded Turntrans60.633.9-176.900000112.7L209 K210 N211L209-G213 PolarHBondContact O-N 2.98Å; K210-G213 PolarHBondContact O-N 2.96Å; N211-G213 VanDerWaalsContact C-N 3.28Å
214I98.7Very high98.7Very high6 Ų660.2 Ų60.23%0.03130%0.295CS..  trans-65.8135.6178.5-65.6162.7000108.5I148 L168 L193 Y195 L209 L212 Y216I148-I214 HydrophobicContact CD1-CD1 3.46Å; I148-I214 VanDerWaalsContact CD1-CD1 3.46Å; L168-I214 HydrophobicContact CD1-CD1 3.87Å; L193-I214 HydrophobicContact CD2-CG2 4.24Å; L193-I214 HydrophobicContact CG-CG2 4.34Å; Y195-I214 HydrophobicContact CD2-CG2 3.86Å; Y195-I214 HydrophobicContact CE2-CG2 3.79Å; L209-I214 HydrophobicContact CD2-CB 3.93Å; L209-I214 HydrophobicContact CD2-CD1 4.04Å; L209-I214 HydrophobicContact CD2-CG2 3.96Å; L209-I214 PolarHBondContact O-N 2.57Å; L209-I214 VanDerWaalsContact O-N 3.08Å; L212-I214 HydrophobicContact CB-CD1 4.01Å; L212-I214 HydrophobicContact CB-CG1 3.9Å; L212-I214 HydrophobicContact CD1-CD1 4.05Å; L212-I214 PolarHBondContact O-N 3.28Å; I214-Y216 VanDerWaalsContact O-CD1 3.27Å; I214-Y216 WeakPolarHBondContact O-CD1 3.38Å
215Q98.6Very high98.7Very high60 Ų6062.5 Ų62.528%0.2830%0.302SS..EExtended strand (participates in β ladder)trans-78.3129.8177.8-176.763.95600109.7V194 Y195 F217V194-Q215 WeakPolarHBondContact CA-O 3.26Å; V194-Q215 HydrophobicContact CG1-CG 4.27Å; V194-Q215 HydrophobicContact CG2-CB 4.06Å; V194-Q215 HydrophobicContact CG2-CG 4.08Å; Y195-Q215 PolarHBondContact N-O 3.44Å; Y195-Q215 VanDerWaalsContact N-O 3.07Å; Q215-F217 HydrophobicContact CG-CE2 4.1Å; Q215-F217 HydrophobicContact CG-CZ 4.4Å
216Y98.8Very high98.7Very high38 Ų3863.8 Ų63.815%0.14932%0.317CS..EExtended strand (participates in β ladder)trans-147.2156.417761.8-92.4000111.2Y195 L198 L209 K210 I214 T218Y195-Y216 CarbonylContact O-C 3.56Å; Y195-Y216 WeakPolarHBondContact O-CA 3.33Å; L198-Y216 HydrophobicContact CD1-CD2 4.04Å; L198-Y216 HydrophobicContact CD1-CG 4.04Å; L209-Y216 HydrophobicContact CB-CD1 4.29Å; L209-Y216 HydrophobicContact CB-CE1 4.08Å; L209-Y216 HydrophobicContact CD1-CD1 4.37Å; L209-Y216 HydrophobicContact CD2-CD1 4.41Å; K210-Y216 WeakPolarHBondContact CE-OH 3.29Å; K210-Y216 PolarHBondContact NZ-OH 3.23Å; I214-Y216 VanDerWaalsContact O-CD1 3.27Å; I214-Y216 WeakPolarHBondContact O-CD1 3.38Å; Y216-T218 HydrophobicContact CD2-CG2 3.86Å; Y216-T218 HydrophobicContact CE2-CG2 3.8Å
217F98.9Very high98.7Very high9 Ų960.5 Ų60.54%0.03930%0.302CS..EExtended strand (participates in β ladder)trans-126.6110.4173.7-60.9-85.1000108.9V194 Y195 V196 G197 L198 Q215 D221 V230 V233 A234V194-F217 HydrophobicContact CG1-CD2 3.95Å; V194-F217 HydrophobicContact CG1-CE2 3.83Å; Y195-F217 PolarHBondContact O-N 3.38Å; V196-F217 HydrophobicContact CG2-CD2 4.32Å; G197-F217 PolarHBondContact N-O 2.88Å; L198-F217 PolarHBondContact N-O 2.88Å; Q215-F217 HydrophobicContact CG-CE2 4.1Å; Q215-F217 HydrophobicContact CG-CZ 4.4Å; F217-D221 HydrophobicContact CB-CB 4.3Å; F217-D221 HydrophobicContact CD1-CB 4.23Å; F217-V230 HydrophobicContact CB-CG1 3.76Å; F217-V230 HydrophobicContact CB-CG2 4.37Å; F217-V230 HydrophobicContact CD1-CB 4.38Å; F217-V230 HydrophobicContact CD1-CG1 4Å; F217-V230 HydrophobicContact CD1-CG2 3.93Å; F217-V230 HydrophobicContact CD2-CG1 3.83Å; F217-V230 HydrophobicContact CE2-CG1 4.43Å; F217-V230 HydrophobicContact CG-CB 4.43Å; F217-V230 HydrophobicContact CG-CG1 3.58Å; F217-V230 HydrophobicContact CG-CG2 4.26Å; F217-V233 HydrophobicContact CE1-CB 4.35Å; F217-V233 HydrophobicContact CE1-CG1 4.28Å; F217-V233 HydrophobicContact CZ-CB 3.86Å; F217-V233 HydrophobicContact CZ-CG1 3.69Å; F217-A234 HydrophobicContact CE2-CB 3.91Å
218T98.9Very high98.7Very high34 Ų3460.8 Ų60.821%0.20930%0.304CS..EExtended strand (participates in β ladder)trans-73.2166.517462.90000110.6L198 Y216 R220 D221 I222L198-T218 HydrophobicContact CB-CG2 4.24Å; L198-T218 CarbonylContact O-C 3.46Å; L198-T218 WeakPolarHBondContact O-CA 3.26Å; L198-T218 VanDerWaalsContact O-CB 3.29Å; L198-T218 WeakPolarHBondContact O-CB 3.38Å; Y216-T218 HydrophobicContact CD2-CG2 3.86Å; Y216-T218 HydrophobicContact CE2-CG2 3.8Å; T218-R220 PolarHBondContact O-N 3.19Å; T218-R220 PolarHBondContact OG1-N 3.33Å; T218-D221 PolarHBondContact N-OD2 2.81Å; T218-D221 WeakPolarHBondContact O-CA 3.41Å; T218-D221 WeakPolarHBondContact O-CB 3.41Å; T218-D221 PolarHBondContact O-N 3.34Å; T218-D221 PolarHBondContact OG1-N 3.11Å; T218-D221 PolarHBondContact OG1-OD2 2.86Å; T218-I222 PolarHBondContact O-N 3.22Å; T218-I222 VanDerWaalsContact O-N 3.09Å
219M98.9Very high98.7Very high17 Ų1765.4 Ų65.48%0.08432%0.32CS..Hα-helixtrans-55.2-34.7169.4-70.1-53.8-56.600112.3G197 L198 R199 D221 I222 D223 G269 G270 L271G197-M219 WeakPolarHBondContact O-CG 3.22Å; L198-M219 PolarHBondContact O-N 3.41Å; R199-M219 HydrophobicContact CB-CB 4.4Å; R199-M219 HydrophobicContact CB-CG 3.95Å; R199-M219 HydrophobicContact CG-CG 4.24Å; M219-D221 VanDerWaalsContact C-N 3.3Å; M219-D221 PolarHBondContact O-N 3.39Å; M219-I222 HydrophobicContact CE-CD1 4.34Å; M219-I222 WeakPolarHBondContact O-CB 3.46Å; M219-I222 PolarHBondContact O-N 2.8Å; M219-I222 VanDerWaalsContact O-N 3.15Å; M219-I222 HydrophobicContact SD-CD1 3.7Å; M219-D223 VanDerWaalsContact O-CG 3.25Å; M219-D223 PolarHBondContact O-N 3.34Å; M219-G269 WeakPolarHBondContact CG-O 3.37Å; M219-G270 VanDerWaalsContact CE-C 3.44Å; M219-G270 WeakPolarHBondContact CE-O 3.38Å; M219-L271 HydrophobicContact CE-CD2 4.19Å; M219-L271 HydrophobicContact SD-CD2 3.87Å; M219-L271 HydrophobicContact SD-CG 4.24Å
220R98.9Very high98.7Very high200 Ų20065.3 Ų65.376%0.75532%0.32SS*.Hα-helixtrans-63.2-32.9173.3177.6178.2175143.22.5113.3T218 R224T218-R220 PolarHBondContact O-N 3.19Å; T218-R220 PolarHBondContact OG1-N 3.33Å; R220-R224 WeakPolarHBondContact O-CB 3.46Å; R220-R224 PolarHBondContact O-N 2.51Å
221D98.9Very high98.7Very high29 Ų2959.8 Ų59.816%0.15530%0.296CS..Hα-helixtrans-72.4-37.4175-65.6-62.2000111.1F217 T218 M219 R224 L225F217-D221 HydrophobicContact CB-CB 4.3Å; F217-D221 HydrophobicContact CD1-CB 4.23Å; T218-D221 PolarHBondContact N-OD2 2.81Å; T218-D221 WeakPolarHBondContact O-CA 3.41Å; T218-D221 WeakPolarHBondContact O-CB 3.41Å; T218-D221 PolarHBondContact O-N 3.34Å; T218-D221 PolarHBondContact OG1-N 3.11Å; T218-D221 PolarHBondContact OG1-OD2 2.86Å; M219-D221 VanDerWaalsContact C-N 3.3Å; M219-D221 PolarHBondContact O-N 3.39Å; D221-R224 PolarHBondContact O-N 2.83Å; D221-R224 IonicContact OD1-CZ 3.68Å; D221-R224 IonicContact OD1-NH2 3.93Å; D221-R224 PolarHBondContact OD1-NH2 3.33Å; D221-L225 HydrophobicContact CB-CD1 4.48Å; D221-L225 VanDerWaalsContact O-CB 3.24Å; D221-L225 WeakPolarHBondContact O-CB 3.48Å; D221-L225 VanDerWaalsContact O-CG 3.3Å; D221-L225 WeakPolarHBondContact O-CG 3.39Å; D221-L225 PolarHBondContact O-N 3.27Å
222I98.9Very high98.8Very high2 Ų257 Ų571%0.0128%0.28CS..Hα-helixtrans-63.5-46.5173.7-63.9162.9000110.2V196 T218 M219 R224 L225 G226 I227 V230 L271 E275V196-I222 HydrophobicContact CG1-CD1 4.04Å; T218-I222 PolarHBondContact O-N 3.22Å; T218-I222 VanDerWaalsContact O-N 3.09Å; M219-I222 HydrophobicContact CE-CD1 4.34Å; M219-I222 WeakPolarHBondContact O-CB 3.46Å; M219-I222 PolarHBondContact O-N 2.8Å; M219-I222 VanDerWaalsContact O-N 3.15Å; M219-I222 HydrophobicContact SD-CD1 3.7Å; I222-R224 PolarHBondContact O-N 3.27Å; I222-L225 PolarHBondContact O-N 3.49Å; I222-G226 VanDerWaalsContact O-CA 3.27Å; I222-G226 WeakPolarHBondContact O-CA 3.47Å; I222-G226 PolarHBondContact O-N 3.15Å; I222-I227 HydrophobicContact CG1-CD1 4.48Å; I222-V230 HydrophobicContact CG1-CG2 4Å; I222-L271 HydrophobicContact CD1-CD2 3.65Å; I222-E275 WeakPolarHBondContact CG2-OE1 3.38Å
223D98.8Very high98.8Very high129 Ų12956.9 Ų56.969%0.6928%0.28SS*.Hα-helixtrans-54.1-41.2174.7-68.3-28.9000112.1M219M219-D223 VanDerWaalsContact O-CG 3.25Å; M219-D223 PolarHBondContact O-N 3.34Å
224R98.8Very high98.8Very high176 Ų17654.1 Ų54.166%0.66425%0.252SS*.Hα-helixtrans-80.3-39.5-174.8179.3175.260.1142.3-4113.2R220 D221 I222R220-R224 WeakPolarHBondContact O-CB 3.46Å; R220-R224 PolarHBondContact O-N 2.51Å; D221-R224 PolarHBondContact O-N 2.83Å; D221-R224 IonicContact OD1-CZ 3.68Å; D221-R224 IonicContact OD1-NH2 3.93Å; D221-R224 PolarHBondContact OD1-NH2 3.33Å; I222-R224 PolarHBondContact O-N 3.27Å
225L98.6Very high98.8Very high69 Ų6954.9 Ų54.936%0.36126%0.256SS..Hα-helixtrans-102.7-23.7-168.9-61.1175.5000112.8D221 I222 R229 V230D221-L225 HydrophobicContact CB-CD1 4.48Å; D221-L225 VanDerWaalsContact O-CB 3.24Å; D221-L225 WeakPolarHBondContact O-CB 3.48Å; D221-L225 VanDerWaalsContact O-CG 3.3Å; D221-L225 WeakPolarHBondContact O-CG 3.39Å; D221-L225 PolarHBondContact O-N 3.27Å; I222-L225 PolarHBondContact O-N 3.49Å; L225-R229 HydrophobicContact CB-CB 4.14Å; L225-R229 HydrophobicContact CB-CG 4.29Å; L225-R229 WeakPolarHBondContact O-CB 3.17Å; L225-V230 HydrophobicContact CB-CG2 4.21Å; L225-V230 HydrophobicContact CD1-CG2 4.32Å
226G98.8Very high98.8Very high33 Ų3356.3 Ų56.334%0.3427%0.266SS..  trans74.4147.3-163.900000112.1I222 Q228 R229 V230I222-G226 VanDerWaalsContact O-CA 3.27Å; I222-G226 WeakPolarHBondContact O-CA 3.47Å; I222-G226 PolarHBondContact O-N 3.15Å; G226-Q228 PolarHBondContact O-N 3.12Å; G226-R229 PolarHBondContact O-N 3.21Å; G226-R229 VanDerWaalsContact O-N 3.09Å; G226-V230 PolarHBondContact O-N 2.92Å
227I98.8Very high98.7Very high20 Ų2057.9 Ų57.910%0.10327%0.274CS..Hα-helixtrans-57.1-34-177-167.762000113.3V196 I222 R229 V230 M231 E275 Y278V196-I227 HydrophobicContact CG1-CD1 4.37Å; I222-I227 HydrophobicContact CG1-CD1 4.48Å; I227-R229 PolarHBondContact O-N 3.05Å; I227-V230 HydrophobicContact CD1-CG1 4.43Å; I227-V230 PolarHBondContact O-N 2.88Å; I227-M231 HydrophobicContact CG1-CG 4.4Å; I227-M231 WeakPolarHBondContact O-CG 3.31Å; I227-M231 PolarHBondContact O-N 3.31Å; I227-E275 HydrophobicContact CB-CB 4.19Å; I227-E275 HydrophobicContact CB-CG 3.92Å; I227-E275 HydrophobicContact CD1-CB 4.45Å; I227-E275 HydrophobicContact CG1-CB 4.04Å; I227-E275 HydrophobicContact CG1-CG 4.34Å; I227-E275 HydrophobicContact CG2-CB 4.34Å; I227-E275 HydrophobicContact CG2-CG 3.9Å; I227-Y278 HydrophobicContact CB-CD1 4.42Å; I227-Y278 HydrophobicContact CG1-CD1 4.04Å; I227-Y278 HydrophobicContact CG2-CD1 3.69Å; I227-Y278 HydrophobicContact CG2-CE1 4.34Å; I227-Y278 HydrophobicContact CG2-CG 4.03Å
228Q98.8Very high98.7Very high117 Ų11757.5 Ų57.555%0.54727%0.273SS..Hα-helixtrans-54.9-52.8174.8173.7172.629.200111.9G226 V230 M231 E232 Y278G226-Q228 PolarHBondContact O-N 3.12Å; Q228-V230 VanDerWaalsContact C-N 3.31Å; Q228-V230 PolarHBondContact O-N 2.81Å; Q228-M231 PolarHBondContact O-N 3.26Å; Q228-E232 WeakPolarHBondContact O-CG 3.42Å; Q228-E232 PolarHBondContact O-N 3.31Å; Q228-Y278 VanDerWaalsContact CA-CE1 3.45Å; Q228-Y278 HydrophobicContact CB-CE1 4.02Å; Q228-Y278 WeakPolarHBondContact CG-OH 3.37Å
229R98.8Very high98.6Very high109 Ų10957.1 Ų57.141%0.41127%0.27SS..Hα-helixtrans-69.9-33.3-176.8-176.157.6-177.71569.3111.6L225 G226 I227 E232 V233L225-R229 HydrophobicContact CB-CB 4.14Å; L225-R229 HydrophobicContact CB-CG 4.29Å; L225-R229 WeakPolarHBondContact O-CB 3.17Å; G226-R229 PolarHBondContact O-N 3.21Å; G226-R229 VanDerWaalsContact O-N 3.09Å; I227-R229 PolarHBondContact O-N 3.05Å; R229-E232 VanDerWaalsContact CD-OE2 3.26Å; R229-E232 WeakPolarHBondContact CD-OE2 3.46Å; R229-E232 IonicContact CZ-OE2 3.55Å; R229-E232 IonicContact NE-OE2 3.06Å; R229-E232 IonicContact NH1-OE2 3.88Å; R229-E232 PolarHBondContact NH1-OE2 3.15Å; R229-V233 VanDerWaalsContact O-CG2 3.29Å; R229-V233 WeakPolarHBondContact O-CG2 3.28Å; R229-V233 PolarHBondContact O-N 2.94Å; R229-V233 VanDerWaalsContact O-N 3.09Å
230V98.9Very high98.4Very high0 Ų060 Ų600%030%0.295CS..Hα-helixtrans-58.6-50.6172.9166.60000110.5V196 F217 I222 L225 G226 I227 Q228 E232 V233 A234V196-V230 HydrophobicContact CG1-CG1 4Å; V196-V230 HydrophobicContact CG2-CG1 4.33Å; F217-V230 HydrophobicContact CB-CG1 3.76Å; F217-V230 HydrophobicContact CB-CG2 4.37Å; F217-V230 HydrophobicContact CD1-CB 4.38Å; F217-V230 HydrophobicContact CD1-CG1 4Å; F217-V230 HydrophobicContact CD1-CG2 3.93Å; F217-V230 HydrophobicContact CD2-CG1 3.83Å; F217-V230 HydrophobicContact CE2-CG1 4.43Å; F217-V230 HydrophobicContact CG-CB 4.43Å; F217-V230 HydrophobicContact CG-CG1 3.58Å; F217-V230 HydrophobicContact CG-CG2 4.26Å; I222-V230 HydrophobicContact CG1-CG2 4Å; L225-V230 HydrophobicContact CB-CG2 4.21Å; L225-V230 HydrophobicContact CD1-CG2 4.32Å; G226-V230 PolarHBondContact O-N 2.92Å; I227-V230 HydrophobicContact CD1-CG1 4.43Å; I227-V230 PolarHBondContact O-N 2.88Å; Q228-V230 VanDerWaalsContact C-N 3.31Å; Q228-V230 PolarHBondContact O-N 2.81Å; V230-E232 PolarHBondContact O-N 2.83Å; V230-V233 PolarHBondContact O-N 3.4Å; V230-A234 WeakPolarHBondContact O-CB 3.38Å; V230-A234 PolarHBondContact O-N 2.95Å
231M98.8Very high98.1Very high0 Ų061.3 Ų61.30%030%0.3CS..Hα-helixtrans-64-41.7179.2-68.5-49.8-63.800112.8I227 Q228 V233 A234 L235 Y278 L279 E282 I283I227-M231 HydrophobicContact CG1-CG 4.4Å; I227-M231 WeakPolarHBondContact O-CG 3.31Å; I227-M231 PolarHBondContact O-N 3.31Å; Q228-M231 PolarHBondContact O-N 3.26Å; M231-V233 VanDerWaalsContact C-N 3.32Å; M231-V233 PolarHBondContact O-N 3.43Å; M231-A234 PolarHBondContact O-N 2.75Å; M231-L235 HydrophobicContact CE-CD1 4.47Å; M231-L235 HydrophobicContact CE-CG 4.39Å; M231-L235 WeakPolarHBondContact O-CB 3.49Å; M231-L235 VanDerWaalsContact O-CG 3.26Å; M231-L235 WeakPolarHBondContact O-CG 3.38Å; M231-L235 PolarHBondContact O-N 3.32Å; M231-Y278 HydrophobicContact CB-CE1 4.41Å; M231-Y278 HydrophobicContact CG-CD1 4.37Å; M231-Y278 HydrophobicContact CG-CE1 4.29Å; M231-L279 HydrophobicContact CE-CB 4.47Å; M231-L279 HydrophobicContact CE-CD1 4.32Å; M231-L279 HydrophobicContact CE-CG 3.77Å; M231-L279 HydrophobicContact CG-CB 4.42Å; M231-L279 HydrophobicContact SD-CB 4Å; M231-L279 HydrophobicContact SD-CD1 3.54Å; M231-L279 VanDerWaalsContact SD-CD1 3.54Å; M231-L279 HydrophobicContact SD-CG 3.5Å; M231-L279 VanDerWaalsContact SD-CG 3.5Å; M231-E282 HydrophobicContact CB-CB 4.21Å; M231-E282 HydrophobicContact CB-CG 4.15Å; M231-E282 HydrophobicContact CE-CB 4.19Å; M231-E282 HydrophobicContact CG-CB 4.34Å; M231-E282 HydrophobicContact CG-CG 4.39Å; M231-I283 HydrophobicContact CE-CD1 4.43Å; M231-I283 HydrophobicContact CE-CG1 3.99Å
232E98.7Very high97.9Very high48 Ų4865.4 Ų65.422%0.22432%0.317CS..Hα-helixtrans-55.1-47.9173.8-73.5-173.9148.800111.7R9 Q228 R229 V230 D236R9-E232 IonicContact NH1-OE1 3.63Å; Q228-E232 WeakPolarHBondContact O-CG 3.42Å; Q228-E232 PolarHBondContact O-N 3.31Å; R229-E232 VanDerWaalsContact CD-OE2 3.26Å; R229-E232 WeakPolarHBondContact CD-OE2 3.46Å; R229-E232 IonicContact CZ-OE2 3.55Å; R229-E232 IonicContact NE-OE2 3.06Å; R229-E232 IonicContact NH1-OE2 3.88Å; R229-E232 PolarHBondContact NH1-OE2 3.15Å; V230-E232 PolarHBondContact O-N 2.83Å; E232-D236 VanDerWaalsContact O-CB 3.24Å; E232-D236 WeakPolarHBondContact O-CB 3.43Å; E232-D236 VanDerWaalsContact O-CG 3.29Å; E232-D236 PolarHBondContact O-N 3.44Å
233V98.6Very high97.7Very high41 Ų4172.2 Ų72.225%0.24835%0.349CS..Hα-helixtrans-72.6-39.3-177.2-179.30000111.5F217 R229 V230 M231 D236 H237F217-V233 HydrophobicContact CE1-CB 4.35Å; F217-V233 HydrophobicContact CE1-CG1 4.28Å; F217-V233 HydrophobicContact CZ-CB 3.86Å; F217-V233 HydrophobicContact CZ-CG1 3.69Å; R229-V233 VanDerWaalsContact O-CG2 3.29Å; R229-V233 WeakPolarHBondContact O-CG2 3.28Å; R229-V233 PolarHBondContact O-N 2.94Å; R229-V233 VanDerWaalsContact O-N 3.09Å; V230-V233 PolarHBondContact O-N 3.4Å; M231-V233 VanDerWaalsContact C-N 3.32Å; M231-V233 PolarHBondContact O-N 3.43Å; V233-D236 PolarHBondContact O-N 3.06Å; V233-H237 WeakPolarHBondContact O-CB 3.44Å; V233-H237 PolarHBondContact O-N 3.25Å
234A98.7Very high97.6Very high0 Ų067.8 Ų67.80%032%0.323CS..Hα-helixtrans-61-49.1176.300000111.5V194 F217 V230 M231 H237 L238V194-A234 HydrophobicContact CG1-CB 3.84Å; F217-A234 HydrophobicContact CE2-CB 3.91Å; V230-A234 WeakPolarHBondContact O-CB 3.38Å; V230-A234 PolarHBondContact O-N 2.95Å; M231-A234 PolarHBondContact O-N 2.75Å; A234-H237 WeakPolarHBondContact O-CB 3.48Å; A234-H237 PolarHBondContact O-N 3.04Å; A234-L238 PolarHBondContact O-N 3.21Å; A234-L238 VanDerWaalsContact O-N 3.12Å
235L98.7Very high97.6Very high21 Ų2160.8 Ų60.811%0.1130%0.3CS..Hα-helixtrans-68.5-38.4178.7-65.9175.7000111.8I140 M231 L238 L239 I246 E282 T286I140-L235 HydrophobicContact CD1-CD2 3.98Å; M231-L235 HydrophobicContact CE-CD1 4.47Å; M231-L235 HydrophobicContact CE-CG 4.39Å; M231-L235 WeakPolarHBondContact O-CB 3.49Å; M231-L235 VanDerWaalsContact O-CG 3.26Å; M231-L235 WeakPolarHBondContact O-CG 3.38Å; M231-L235 PolarHBondContact O-N 3.32Å; L235-L238 PolarHBondContact O-N 3.29Å; L235-L239 HydrophobicContact CB-CD1 4.45Å; L235-L239 HydrophobicContact CD2-CD1 3.95Å; L235-L239 WeakPolarHBondContact O-CA 3.35Å; L235-L239 VanDerWaalsContact O-CB 3.24Å; L235-L239 WeakPolarHBondContact O-CB 3.49Å; L235-L239 PolarHBondContact O-N 2.87Å; L235-I246 HydrophobicContact CD2-CD1 4.43Å; L235-E282 HydrophobicContact CD1-CB 4.39Å; L235-T286 HydrophobicContact CD1-CG2 4Å; L235-T286 HydrophobicContact CD2-CG2 3.87Å
236D98.3Very high97.6Very high91 Ų9157.5 Ų57.549%0.48728%0.282SS..Hα-helixtrans-61.8-43.5173.1-83.7-14.4000111.2E232 V233 L238 A240E232-D236 VanDerWaalsContact O-CB 3.24Å; E232-D236 WeakPolarHBondContact O-CB 3.43Å; E232-D236 VanDerWaalsContact O-CG 3.29Å; E232-D236 PolarHBondContact O-N 3.44Å; V233-D236 PolarHBondContact O-N 3.06Å; D236-L238 VanDerWaalsContact C-N 3.32Å; D236-L238 PolarHBondContact O-N 2.67Å; D236-A240 WeakPolarHBondContact O-CB 3.29Å; D236-A240 PolarHBondContact O-N 3.47Å
237H98Very high97.6Very high70 Ų7055.9 Ų55.932%0.32427%0.266SS..Hα-helixtrans-57-46.3177.4-179.590.8000111.4R191 V194 V233 A234R191-H237 PolarHBondContact O-NE2 2.89Å; V194-H237 HydrophobicContact CG2-CB 4.47Å; V233-H237 WeakPolarHBondContact O-CB 3.44Å; V233-H237 PolarHBondContact O-N 3.25Å; A234-H237 WeakPolarHBondContact O-CB 3.48Å; A234-H237 PolarHBondContact O-N 3.04Å
238L98.2Very high97.6Very high1 Ų155 Ų551%0.00526%0.261CS..Hα-helixtrans-81.8-35.9-176.2-67.2177.5000113.4C138 I140 V194 A234 L235 D236 R244C138-L238 HydrophobicContact CB-CB 4.24Å; C138-L238 HydrophobicContact CB-CD1 4.13Å; C138-L238 HydrophobicContact CB-CD2 3.76Å; C138-L238 HydrophobicContact CB-CG 4.26Å; I140-L238 HydrophobicContact CD1-CD1 4.23Å; I140-L238 HydrophobicContact CG1-CD1 3.58Å; V194-L238 HydrophobicContact CB-CD1 4.21Å; V194-L238 HydrophobicContact CG2-CD1 3.85Å; V194-L238 HydrophobicContact CG2-CD2 3.87Å; V194-L238 HydrophobicContact CG2-CG 3.67Å; A234-L238 PolarHBondContact O-N 3.21Å; A234-L238 VanDerWaalsContact O-N 3.12Å; L235-L238 PolarHBondContact O-N 3.29Å; D236-L238 VanDerWaalsContact C-N 3.32Å; D236-L238 PolarHBondContact O-N 2.67Å; L238-R244 PolarHBondContact O-NE 3.3Å; L238-R244 PolarHBondContact O-NH2 2.97Å
239L97.6Very high97.6Very high27 Ų2749.4 Ų49.414%0.14124%0.235CC..Hα-helixtrans-118.9-12.5-162.7-53.7174.3000114.4L235 R241 K242 R244 I246 T286 L288L235-L239 HydrophobicContact CB-CD1 4.45Å; L235-L239 HydrophobicContact CD2-CD1 3.95Å; L235-L239 WeakPolarHBondContact O-CA 3.35Å; L235-L239 VanDerWaalsContact O-CB 3.24Å; L235-L239 WeakPolarHBondContact O-CB 3.49Å; L235-L239 PolarHBondContact O-N 2.87Å; L239-R241 PolarHBondContact O-N 3.21Å; L239-R241 VanDerWaalsContact O-N 3.09Å; L239-K242 CarbonylContact O-C 3.46Å; L239-K242 PolarHBondContact O-N 3.05Å; L239-K242 VanDerWaalsContact O-O 3.14Å; L239-R244 HydrophobicContact CD2-CG 3.8Å; L239-I246 HydrophobicContact CD1-CD1 3.99Å; L239-I246 HydrophobicContact CD2-CG1 4.45Å; L239-T286 HydrophobicContact CD1-CG2 4.08Å; L239-L288 HydrophobicContact CD1-CD1 4.1Å; L239-L288 HydrophobicContact CD2-CD1 4.15Å
240A94.3Very high97.6Very high76 Ų7644.2 Ų44.263%0.62822%0.216SC*.SBendtrans-60.5-28.5-174.500000113.7D236D236-A240 WeakPolarHBondContact O-CB 3.29Å; D236-A240 PolarHBondContact O-N 3.47Å
241R91.9Very high97.6Very high228 Ų22844.3 Ų44.386%0.8622%0.216SC*.SBendtrans-87.9-31.6-179.4-62-178.8-175.2175.21.4113.2L239L239-R241 PolarHBondContact O-N 3.21Å; L239-R241 VanDerWaalsContact O-N 3.09Å
242K94Very high97.6Very high115 Ų11544.3 Ų44.350%0.522%0.216SC..  trans-162.3137.7-173-171.5-170.8174.2-167.70109.8D136 L239D136-K242 WeakPolarHBondContact OD2-CE 3.3Å; D136-K242 IonicContact OD2-NZ 2.75Å; D136-K242 PolarHBondContact OD2-NZ 3.49Å; L239-K242 CarbonylContact O-C 3.46Å; L239-K242 PolarHBondContact O-N 3.05Å; L239-K242 VanDerWaalsContact O-O 3.14Å
243Q95.2Very high97.6Very high146 Ų14642 Ų4268%0.68221%0.206SC*.  trans-73.7130.7165.2-64.9-17416.900110.2L288Q243-L288 HydrophobicContact CB-CD1 4.05Å; Q243-L288 HydrophobicContact CB-CD2 4.19Å; Q243-L288 HydrophobicContact CG-CD1 4.26Å
244R97.1Very high97.7Very high36 Ų3640.1 Ų40.114%0.13619%0.194CC..  trans-154157.3-175.349177.6148.6-1805.1110.6D136 D192 L238 L239D136-R244 WeakPolarHBondContact O-CB 3.46Å; D136-R244 WeakPolarHBondContact O-CD 3.37Å; D192-R244 IonicContact OD1-CZ 3.83Å; D192-R244 IonicContact OD1-NH1 3.73Å; D192-R244 PolarHBondContact OD1-NH1 3.04Å; D192-R244 IonicContact OD1-NH2 2.89Å; D192-R244 PolarHBondContact OD1-NH2 2.97Å; L238-R244 PolarHBondContact O-NE 3.3Å; L238-R244 PolarHBondContact O-NH2 2.97Å; L239-R244 HydrophobicContact CD2-CG 3.8Å
245P98.6Very high97.7Very high28 Ų2840.1 Ų40.118%0.18219%0.194CC..PPolyproline II helixtrans-59.1135.2-179.8-26.738.5000112.4C134 L137 C138C134-P245 HydrophobicContact CB-CB 4.16Å; C134-P245 HydrophobicContact CB-CG 3.88Å; L137-P245 CarbonylContact C-O 3.47Å; L137-P245 VanDerWaalsContact CA-O 3.23Å; L137-P245 WeakPolarHBondContact CA-O 3.26Å; L137-P245 HydrophobicContact CB-CB 4.29Å; C138-P245 PolarHBondContact N-O 2.88Å
246I98.9Very high97.7Very high0 Ų040.6 Ų40.60%020%0.197CC..EExtended strand (participates in β ladder)trans-96.9129.7173.5-59172.4000108.4I140 L235 L239 I283 T286 L288 L289 S290 A291I140-I246 HydrophobicContact CD1-CG2 4.07Å; I140-I246 HydrophobicContact CG1-CG2 4.33Å; L235-I246 HydrophobicContact CD2-CD1 4.43Å; L239-I246 HydrophobicContact CD1-CD1 3.99Å; L239-I246 HydrophobicContact CD2-CG1 4.45Å; I246-I283 HydrophobicContact CG2-CG2 4.48Å; I246-T286 HydrophobicContact CD1-CG2 3.93Å; I246-T286 WeakPolarHBondContact CD1-OG1 3.28Å; I246-L288 HydrophobicContact CD1-CB 4.01Å; I246-L288 HydrophobicContact CG1-CB 4.07Å; I246-L288 PolarHBondContact N-O 3.06Å; I246-L289 HydrophobicContact CG2-CD1 4.45Å; I246-S290 PolarHBondContact O-N 3.13Å; I246-A291 PolarHBondContact O-N 2.83Å
247H98.9Very high97.7Very high0 Ų037.2 Ų37.20%018%0.18CC..EExtended strand (participates in β ladder)trans-103.5118.1162.2-170.298.6000108.1V127 H130 L137 C138 V139 I140 A291 D293V127-H247 WeakPolarHBondContact CG2-NE2 3.47Å; H130-H247 AromaticContact CG-ND1 3.97Å; H130-H247 WeakPolarHBondContact ND1-CB 3.24Å; H130-H247 AromaticContact ND1-CG 3.68Å; H130-H247 AromaticContact ND1-ND1 3.16Å; H130-H247 PolarHBondContact ND1-ND1 2.75Å; H130-H247 VanDerWaalsContact ND1-ND1 3.16Å; L137-H247 HydrophobicContact CD1-CB 4.4Å; C138-H247 PolarHBondContact O-N 3.03Å; V139-H247 WeakPolarHBondContact CA-O 3.4Å; V139-H247 HydrophobicContact CG2-CB 4.36Å; I140-H247 PolarHBondContact N-O 3.17Å; H247-A291 WeakPolarHBondContact CA-O 3.33Å; H247-A291 VanDerWaalsContact ND1-CB 3.32Å; H247-A291 WeakPolarHBondContact ND1-CB 3.28Å; H247-D293 IonicContact CE1-OD1 2.64Å; H247-D293 PolarHBondContact CE1-OD1 2.96Å; H247-D293 IonicContact CE1-OD2 3.7Å; H247-D293 VanDerWaalsContact NE2-CG 3.34Å; H247-D293 IonicContact NE2-OD1 3.22Å; H247-D293 IonicContact NE2-OD2 3.83Å; H247-D293 PolarHBondContact NE2-OD2 3.36Å; H247-D293 VanDerWaalsContact NE2-OD2 3.14Å
248L98.9Very high97.7Very high0 Ų038.4 Ų38.40%020%0.196CC..EExtended strand (participates in β ladder)trans-97.5107.5175.7173.757.5000108.8I140 V142 F250 L279 I283 L289 A291 I292 D293I140-L248 HydrophobicContact CB-CD1 4.26Å; I140-L248 HydrophobicContact CG2-CD1 4.18Å; V142-L248 HydrophobicContact CG2-CD1 3.68Å; L248-F250 HydrophobicContact CD1-CD2 4.29Å; L248-F250 HydrophobicContact CD2-CD2 4.4Å; L248-F250 HydrophobicContact CG-CB 4.37Å; L248-L279 HydrophobicContact CD1-CD2 4.39Å; L248-I283 HydrophobicContact CB-CD1 4.49Å; L248-I283 HydrophobicContact CD1-CD1 3.63Å; L248-I283 HydrophobicContact CD2-CD1 3.69Å; L248-I283 HydrophobicContact CG-CD1 4.13Å; L248-L289 HydrophobicContact CB-CD1 3.91Å; L248-A291 PolarHBondContact N-O 2.6Å; L248-I292 HydrophobicContact CB-CB 4.43Å; L248-I292 HydrophobicContact CB-CG1 4.28Å; L248-I292 HydrophobicContact CD2-CD1 3.8Å; L248-I292 HydrophobicContact CD2-CG1 4.07Å; L248-I292 HydrophobicContact CG-CD1 4.4Å; L248-I292 HydrophobicContact CG-CG1 4.14Å; L248-I292 CarbonylContact O-C 3.31Å; L248-I292 VanDerWaalsContact O-CA 3.25Å; L248-I292 WeakPolarHBondContact O-CA 3.48Å; L248-D293 PolarHBondContact O-N 3.25Å
249S98.9Very high97.7Very high0 Ų041 Ų410%021%0.209CC..EExtended strand (participates in β ladder)trans-93.1110.4169.8-149.60000108.2H120 I140 W141 V142H120-S249 PolarHBondContact NE2-OG 2.92Å; I140-S249 PolarHBondContact O-N 3.22Å; W141-S249 WeakPolarHBondContact CA-O 3.34Å; V142-S249 PolarHBondContact N-O 2.98Å
250F98.9Very high97.8Very high0 Ų039.7 Ų39.70%020%0.202CC..EExtended strand (participates in β ladder)trans-116108.7-174.5-157.8-61.9000110.2V142 L248 A254 F255 L279 D293 M294 V295 V318V142-F250 HydrophobicContact CB-CD2 3.79Å; V142-F250 HydrophobicContact CB-CE2 3.98Å; V142-F250 HydrophobicContact CB-CG 4.12Å; V142-F250 HydrophobicContact CB-CZ 4.43Å; V142-F250 HydrophobicContact CG1-CD2 3.96Å; V142-F250 HydrophobicContact CG1-CE1 4.22Å; V142-F250 HydrophobicContact CG1-CE2 3.6Å; V142-F250 HydrophobicContact CG1-CG 4.43Å; V142-F250 HydrophobicContact CG1-CZ 3.72Å; V142-F250 HydrophobicContact CG2-CD2 4.08Å; V142-F250 HydrophobicContact CG2-CE2 4.31Å; L248-F250 HydrophobicContact CD1-CD2 4.29Å; L248-F250 HydrophobicContact CD2-CD2 4.4Å; L248-F250 HydrophobicContact CG-CB 4.37Å; F250-A254 HydrophobicContact CE1-CB 4.18Å; F250-F255 AromaticContact CE1-CD2 3.86Å; F250-F255 HydrophobicContact CE1-CD2 3.86Å; F250-F255 AromaticContact CE1-CE2 3.45Å; F250-F255 HydrophobicContact CE1-CE2 3.45Å; F250-F255 VanDerWaalsContact CE1-CE2 3.45Å; F250-F255 HydrophobicContact CE1-CZ 4.33Å; F250-F255 HydrophobicContact CZ-CD2 4.12Å; F250-F255 AromaticContact CZ-CE2 3.4Å; F250-F255 HydrophobicContact CZ-CE2 3.4Å; F250-F255 VanDerWaalsContact CZ-CE2 3.4Å; F250-F255 AromaticContact CZ-CZ 3.83Å; F250-F255 HydrophobicContact CZ-CZ 3.83Å; F250-L279 HydrophobicContact CE2-CD2 4.2Å; F250-D293 WeakPolarHBondContact CA-O 3.28Å; F250-D293 WeakPolarHBondContact CB-O 3.45Å; F250-D293 PolarHBondContact N-O 3.33Å; F250-M294 HydrophobicContact CB-CE 4.07Å; F250-M294 HydrophobicContact CD1-CE 3.9Å; F250-M294 HydrophobicContact CD1-SD 4.37Å; F250-M294 HydrophobicContact CG-CE 4.01Å; F250-V295 PolarHBondContact O-N 3.32Å; F250-V295 VanDerWaalsContact O-N 3.15Å; F250-V318 HydrophobicContact CD1-CG1 4.47Å; F250-V318 HydrophobicContact CD2-CG1 3.63Å; F250-V318 HydrophobicContact CE2-CG1 3.68Å; F250-V318 HydrophobicContact CE2-CG2 4.34Å; F250-V318 HydrophobicContact CG-CG1 4.06Å; F250-V318 HydrophobicContact CZ-CG1 4.18Å; F250-V318 HydrophobicContact CZ-CG2 4.13Å
251D98.9Very high97.9Very high2 Ų238.1 Ų38.11%0.01119%0.186CC..EExtended strand (participates in β ladder)trans-80.2128166.9-158.5-51.5000110H120 V142 D143 D253 A254 V295 E296H120-D251 IonicContact CE1-OD2 2.82Å; H120-D251 IonicContact CG-OD2 3.53Å; H120-D251 IonicContact ND1-OD2 3.8Å; H120-D251 PolarHBondContact ND1-OD2 2.89Å; V142-D251 PolarHBondContact O-N 3.29Å; D143-D251 HydrophobicContact CB-CB 4.07Å; D143-D251 WeakPolarHBondContact OD2-CB 3.47Å; D251-D253 PolarHBondContact O-N 3.13Å; D251-D253 WeakPolarHBondContact OD1-CB 3.44Å; D251-D253 PolarHBondContact OD1-N 3.37Å; D251-A254 WeakPolarHBondContact O-CB 3.37Å; D251-A254 PolarHBondContact O-N 2.96Å; D251-V295 HydrophobicContact CB-CG2 4.15Å; D251-E296 WeakPolarHBondContact OD1-CB 3.32Å; D251-E296 WeakPolarHBondContact OD2-CG 3.27Å
252I98.9Very high98.2Very high0 Ų027.2 Ų27.20%015%0.145CC..G310 helixtrans-62.9-25.4178.3-159.464.6000111.8A254 F255 A260 M294 V295 E296 V297 T311 L314 A315I252-A254 PolarHBondContact O-N 3.39Å; I252-F255 HydrophobicContact CD1-CD2 4.15Å; I252-F255 HydrophobicContact CD1-CE2 4.37Å; I252-F255 PolarHBondContact O-N 3.21Å; I252-A260 HydrophobicContact CG1-CB 3.83Å; I252-A260 WeakPolarHBondContact O-CB 3.22Å; I252-M294 HydrophobicContact CB-SD 4.47Å; I252-M294 HydrophobicContact CD1-SD 3.99Å; I252-V295 WeakPolarHBondContact CG2-O 3.48Å; I252-V295 PolarHBondContact N-O 3.14Å; I252-E296 HydrophobicContact CG2-CB 4.36Å; I252-V297 HydrophobicContact CB-CG2 3.93Å; I252-V297 HydrophobicContact CG1-CG2 4.01Å; I252-V297 HydrophobicContact CG2-CG2 3.92Å; I252-T311 HydrophobicContact CG1-CG2 3.79Å; I252-T311 HydrophobicContact CG2-CG2 4.49Å; I252-L314 HydrophobicContact CD1-CD2 4.47Å; I252-L314 HydrophobicContact CD1-CG 4.25Å; I252-A315 HydrophobicContact CD1-CB 4.03Å
253D98.8Very high98.5Very high1 Ų122 Ų221%0.00512%0.122CC..G310 helixtrans-72.7-5176.784.216.5000113.5A144 H145 R199 D251 F255 T263 T265A144-D253 WeakPolarHBondContact CB-OD1 3.4Å; A144-D253 PolarHBondContact N-OD1 3.44Å; H145-D253 IonicContact CE1-OD1 3.12Å; H145-D253 IonicContact CE1-OD2 3.05Å; H145-D253 PolarHBondContact CE1-OD2 3.23Å; H145-D253 IonicContact ND1-OD1 3.43Å; H145-D253 IonicContact ND1-OD2 3.15Å; H145-D253 PolarHBondContact ND1-OD2 2.99Å; R199-D253 PolarHBondContact NH2-O 3.04Å; D251-D253 PolarHBondContact O-N 3.13Å; D251-D253 WeakPolarHBondContact OD1-CB 3.44Å; D251-D253 PolarHBondContact OD1-N 3.37Å; D253-F255 PolarHBondContact O-N 3.16Å; D253-F255 VanDerWaalsContact O-O 3.05Å; D253-T263 HydrophobicContact CB-CG2 3.76Å; D253-T265 PolarHBondContact OD2-OG1 2.79Å
254A98.9Very high98.5Very high0 Ų015.3 Ų15.30%09%0.093CC..G310 helixtrans-59.2-32.7166.600000111.9V142 R199 F250 D251 I252 L271V142-A254 HydrophobicContact CG1-CB 3.77Å; R199-A254 PolarHBondContact NH1-O 3.22Å; R199-A254 PolarHBondContact NH2-O 3.43Å; F250-A254 HydrophobicContact CE1-CB 4.18Å; D251-A254 WeakPolarHBondContact O-CB 3.37Å; D251-A254 PolarHBondContact O-N 2.96Å; I252-A254 PolarHBondContact O-N 3.39Å; A254-L271 HydrophobicContact CB-CD1 4.09Å; A254-L271 PolarHBondContact O-N 3.48Å
255F98.9Very high98.5Very high1 Ų115.8 Ų15.80%0.00410%0.1CC..BIsolated β-bridgetrans-72.2155.6173.2-72.5-77.3000112.2R199 F250 I252 D253 L259 A260 L271 T272 L314 V318R199-F255 PolarHBondContact NH2-O 2.63Å; F250-F255 AromaticContact CE1-CD2 3.86Å; F250-F255 HydrophobicContact CE1-CD2 3.86Å; F250-F255 AromaticContact CE1-CE2 3.45Å; F250-F255 HydrophobicContact CE1-CE2 3.45Å; F250-F255 VanDerWaalsContact CE1-CE2 3.45Å; F250-F255 HydrophobicContact CE1-CZ 4.33Å; F250-F255 HydrophobicContact CZ-CD2 4.12Å; F250-F255 AromaticContact CZ-CE2 3.4Å; F250-F255 HydrophobicContact CZ-CE2 3.4Å; F250-F255 VanDerWaalsContact CZ-CE2 3.4Å; F250-F255 AromaticContact CZ-CZ 3.83Å; F250-F255 HydrophobicContact CZ-CZ 3.83Å; I252-F255 HydrophobicContact CD1-CD2 4.15Å; I252-F255 HydrophobicContact CD1-CE2 4.37Å; I252-F255 PolarHBondContact O-N 3.21Å; D253-F255 PolarHBondContact O-N 3.16Å; D253-F255 VanDerWaalsContact O-O 3.05Å; F255-L259 HydrophobicContact CB-CB 4.42Å; F255-L259 HydrophobicContact CD1-CD1 4.24Å; F255-A260 HydrophobicContact CB-CB 4.02Å; F255-L271 HydrophobicContact CD1-CB 3.98Å; F255-L271 WeakPolarHBondContact CD1-O 3.36Å; F255-L271 HydrophobicContact CE1-CB 4.39Å; F255-T272 WeakPolarHBondContact CE1-O 3.43Å; F255-L314 HydrophobicContact CB-CD2 4.14Å; F255-L314 HydrophobicContact CD1-CD2 4.12Å; F255-L314 HydrophobicContact CD2-CD2 3.62Å; F255-L314 HydrophobicContact CD2-CG 4.03Å; F255-L314 HydrophobicContact CE1-CD1 4.13Å; F255-L314 HydrophobicContact CE1-CD2 4.42Å; F255-L314 HydrophobicContact CE2-CD1 3.99Å; F255-L314 HydrophobicContact CE2-CD2 3.93Å; F255-L314 HydrophobicContact CE2-CG 3.83Å; F255-L314 HydrophobicContact CG-CD2 3.71Å; F255-L314 HydrophobicContact CG-CG 4.49Å; F255-L314 HydrophobicContact CZ-CD1 3.78Å; F255-L314 HydrophobicContact CZ-CD2 4.32Å; F255-L314 HydrophobicContact CZ-CG 4.15Å; F255-V318 HydrophobicContact CE2-CG2 3.64Å; F255-V318 HydrophobicContact CZ-CG2 3.61Å
256D98.9Very high98.5Very high31 Ų3117.8 Ų17.817%0.16611%0.113CC..  trans-59140.3170.2-170.3-94.6000111S258 L259 A260 G269 G270 L271D256-S258 PolarHBondContact O-N 3.11Å; D256-S258 VanDerWaalsContact OD1-CB 3.24Å; D256-S258 WeakPolarHBondContact OD1-CB 3.48Å; D256-S258 PolarHBondContact OD1-N 2.98Å; D256-S258 PolarHBondContact OD1-OG 3.1Å; D256-L259 WeakPolarHBondContact O-CB 3.49Å; D256-L259 PolarHBondContact O-N 3.46Å; D256-A260 PolarHBondContact O-N 2.92Å; D256-A260 VanDerWaalsContact O-N 3.13Å; D256-G269 WeakPolarHBondContact OD2-CA 3.5Å; D256-G269 PolarHBondContact OD2-N 2.85Å; D256-G270 PolarHBondContact OD2-N 2.81Å; D256-L271 PolarHBondContact N-O 3.11Å
257P98.6Very high98.4Very high20 Ų2019.1 Ų19.113%0.1312%0.121CC..THydrogen-bonded Turntrans-59.8-18.1-179.7-2736.8000114.6L259 P261 P266 V267P257-L259 PolarHBondContact O-N 3.04Å; P257-P261 WeakPolarHBondContact O-CA 3.43Å; P257-P261 WeakPolarHBondContact O-CB 3.15Å; P257-P261 WeakPolarHBondContact O-CD 3.4Å; P257-P266 HydrophobicContact CB-CB 3.84Å; P257-P266 HydrophobicContact CG-CB 3.61Å; P257-V267 VanDerWaalsContact CD-O 3.3Å; P257-V267 WeakPolarHBondContact CD-O 3.47Å
258S98.3Very high98.4Very high95 Ų9525.3 Ų25.366%0.66415%0.154SC*.THydrogen-bonded Turntrans-66.1-19.4170.3620000113.8D256D256-S258 PolarHBondContact O-N 3.11Å; D256-S258 VanDerWaalsContact OD1-CB 3.24Å; D256-S258 WeakPolarHBondContact OD1-CB 3.48Å; D256-S258 PolarHBondContact OD1-N 2.98Å; D256-S258 PolarHBondContact OD1-OG 3.1Å
259L98.6Very high98.4Very high54 Ų5427.5 Ų27.528%0.28318%0.177SC..THydrogen-bonded Turntrans-106.4-39179.6-59.2173000112F255 D256 P257 P261 L314F255-L259 HydrophobicContact CB-CB 4.42Å; F255-L259 HydrophobicContact CD1-CD1 4.24Å; D256-L259 WeakPolarHBondContact O-CB 3.49Å; D256-L259 PolarHBondContact O-N 3.46Å; P257-L259 PolarHBondContact O-N 3.04Å; L259-P261 WeakPolarHBondContact O-CD 2.99Å; L259-L314 HydrophobicContact CB-CD2 3.91Å
260A98.3Very high98.4Very high0 Ų027.9 Ų27.90%018%0.181CC..  trans-119.962.2179.600000112.5I252 F255 D256 A262 T263 T311 L314I252-A260 HydrophobicContact CG1-CB 3.83Å; I252-A260 WeakPolarHBondContact O-CB 3.22Å; F255-A260 HydrophobicContact CB-CB 4.02Å; D256-A260 PolarHBondContact O-N 2.92Å; D256-A260 VanDerWaalsContact O-N 3.13Å; A260-A262 VanDerWaalsContact C-N 3.29Å; A260-A262 PolarHBondContact O-N 2.99Å; A260-T263 WeakPolarHBondContact O-CG2 3.31Å; A260-T311 HydrophobicContact CB-CG2 4.14Å; A260-L314 HydrophobicContact CB-CD2 4.21Å
261P98.2Very high98.4Very high43 Ų4327.9 Ų27.928%0.27918%0.181SC..  trans-68.4-22.6-176.126.9-37000114.4P257 L259 T263 A307 T311P257-P261 WeakPolarHBondContact O-CA 3.43Å; P257-P261 WeakPolarHBondContact O-CB 3.15Å; P257-P261 WeakPolarHBondContact O-CD 3.4Å; L259-P261 WeakPolarHBondContact O-CD 2.99Å; P261-T263 VanDerWaalsContact C-N 3.34Å; P261-T263 PolarHBondContact O-N 3.44Å; P261-T263 VanDerWaalsContact O-N 3.15Å; P261-A307 HydrophobicContact CB-CB 4.33Å; P261-A307 HydrophobicContact CG-CB 3.65Å; P261-T311 VanDerWaalsContact CD-OG1 3.27Å; P261-T311 WeakPolarHBondContact CD-OG1 3.27Å
262A98.4Very high98.4Very high0 Ų031 Ų310%020%0.2CC..SBendtrans-89.965.2-176.200000111.6A260 N298 T311A260-A262 VanDerWaalsContact C-N 3.29Å; A260-A262 PolarHBondContact O-N 2.99Å; A262-N298 CarbonylContact C-O 2.96Å; A262-N298 WeakPolarHBondContact CB-O 3.32Å; A262-N298 CarbonylContact O-C 3.52Å; A262-N298 PolarHBondContact O-N 3Å; A262-T311 HydrophobicContact CB-CG2 4.05Å; A262-T311 WeakPolarHBondContact CB-OG1 3.02Å; A262-T311 PolarHBondContact N-OG1 3.43Å; A262-T311 VanDerWaalsContact N-OG1 3.09Å
263T98.4Very high98.4Very high4 Ų435.4 Ų35.43%0.02522%0.217CC..BIsolated β-bridgetrans-140.8162.6179-173.50000112.7D253 A260 P261 P266 E296 L301D253-T263 HydrophobicContact CB-CG2 3.76Å; A260-T263 WeakPolarHBondContact O-CG2 3.31Å; P261-T263 VanDerWaalsContact C-N 3.34Å; P261-T263 PolarHBondContact O-N 3.44Å; P261-T263 VanDerWaalsContact O-N 3.15Å; T263-P266 HydrophobicContact CG2-CB 4.1Å; T263-E296 WeakPolarHBondContact CA-O 3.14Å; T263-E296 PolarHBondContact OG1-O 2.72Å; T263-E296 VanDerWaalsContact OG1-O 3.12Å; T263-L301 VanDerWaalsContact O-CD1 3.28Å; T263-L301 WeakPolarHBondContact O-CD1 3.36Å
264G96.9Very high98.4Very high6 Ų644.1 Ų44.16%0.06225%0.25CC..SBendtrans-70.6-40.2-174.800000115.2P266G264-P266 VanDerWaalsContact C-CD 3.49Å
265T96.5Very high98.4Very high47 Ų4745.9 Ų45.929%0.28826%0.258SS..SBendtrans-130.859.2-168340000111.8H145 D253 V267H145-T265 PolarHBondContact CE1-O 3.24Å; D253-T265 PolarHBondContact OD2-OG1 2.79Å; T265-V267 PolarHBondContact O-N 2.87Å
266P97.6Very high98.4Very high70 Ų7045.9 Ų45.946%0.45526%0.258SS..  trans-64.8127.4-177.427.2-34.5000111.9P257 T263 G264P257-P266 HydrophobicContact CB-CB 3.84Å; P257-P266 HydrophobicContact CG-CB 3.61Å; T263-P266 HydrophobicContact CG2-CB 4.1Å; G264-P266 VanDerWaalsContact C-CD 3.49Å
267V98.5Very high98.4Very high28 Ų2844.4 Ų44.417%0.1725%0.25CS..  trans-121.5120.4175-173.30000110.3A144 R199 D200 P257 T265A144-V267 HydrophobicContact CB-CB 4.27Å; A144-V267 HydrophobicContact CB-CG2 4.25Å; R199-V267 HydrophobicContact CG-CB 4.3Å; R199-V267 HydrophobicContact CG-CG1 3.81Å; R199-V267 PolarHBondContact NE-O 2.87Å; R199-V267 PolarHBondContact NH2-O 3.47Å; D200-V267 HydrophobicContact CB-CG1 4.18Å; D200-V267 HydrophobicContact CB-CG2 3.86Å; P257-V267 VanDerWaalsContact CD-O 3.3Å; P257-V267 WeakPolarHBondContact CD-O 3.47Å; T265-V267 PolarHBondContact O-N 2.87Å
268N98.6Very high98.4Very high130 Ų13045.3 Ų45.370%0.69525%0.251SS*.SBendtrans-61.7155.8179.9-68.4-25.5000113.1
269G98.4Very high98.4Very high46 Ų4640.8 Ų40.847%0.47422%0.22SC..SBendtrans76.435.7179.400000112R199 M219 D256R199-G269 WeakPolarHBondContact CD-O 3.35Å; M219-G269 WeakPolarHBondContact CG-O 3.37Å; D256-G269 WeakPolarHBondContact OD2-CA 3.5Å; D256-G269 PolarHBondContact OD2-N 2.85Å
270G98.9Very high98.4Very high8 Ų838.2 Ų38.28%0.08221%0.206CC..  trans-84.8-172.6-179.800000114.1M219 D256 T272M219-G270 VanDerWaalsContact CE-C 3.44Å; M219-G270 WeakPolarHBondContact CE-O 3.38Å; D256-G270 PolarHBondContact OD2-N 2.81Å; G270-T272 PolarHBondContact O-N 3.37Å
271L98.9Very high98.5Very high0 Ų039.4 Ų39.40%021%0.212CC..BIsolated β-bridgetrans-57.9139.3175.5-63.9174.9000110.2V142 M219 I222 A254 F255 D256 E275V142-L271 HydrophobicContact CG1-CD1 3.76Å; M219-L271 HydrophobicContact CE-CD2 4.19Å; M219-L271 HydrophobicContact SD-CD2 3.87Å; M219-L271 HydrophobicContact SD-CG 4.24Å; I222-L271 HydrophobicContact CD1-CD2 3.65Å; A254-L271 HydrophobicContact CB-CD1 4.09Å; A254-L271 PolarHBondContact O-N 3.48Å; F255-L271 HydrophobicContact CD1-CB 3.98Å; F255-L271 WeakPolarHBondContact CD1-O 3.36Å; F255-L271 HydrophobicContact CE1-CB 4.39Å; D256-L271 PolarHBondContact N-O 3.11Å; L271-E275 HydrophobicContact CD2-CB 4.18Å
272T98.9Very high98.5Very high68 Ų6839.4 Ų39.442%0.41721%0.208SC..  trans-74159.9164.666.40000110.2F255 G270 R274 E275 G276F255-T272 WeakPolarHBondContact CE1-O 3.43Å; G270-T272 PolarHBondContact O-N 3.37Å; T272-R274 PolarHBondContact O-N 2.53Å; T272-E275 WeakPolarHBondContact CB-OE2 3.26Å; T272-E275 WeakPolarHBondContact CG2-OE2 3.24Å; T272-E275 PolarHBondContact N-OE2 2.85Å; T272-E275 PolarHBondContact O-N 2.79Å; T272-E275 VanDerWaalsContact O-N 3.07Å; T272-E275 VanDerWaalsContact OG1-CD 3.27Å; T272-E275 VanDerWaalsContact OG1-CG 3.26Å; T272-E275 WeakPolarHBondContact OG1-CG 3.33Å; T272-E275 PolarHBondContact OG1-N 2.82Å; T272-E275 PolarHBondContact OG1-OE2 2.92Å; T272-G276 PolarHBondContact O-N 2.87Å; T272-G276 VanDerWaalsContact O-N 3.12Å
273Y98.9Very high98.5Very high92 Ų9239.4 Ų39.436%0.36121%0.208SC..Hα-helixtrans-49.5-47.7173.8-178.6-87.3000111.5E275 G276 I277 L314 D317Y273-E275 VanDerWaalsContact C-N 3.29Å; Y273-E275 PolarHBondContact O-N 2.87Å; Y273-G276 PolarHBondContact O-N 2.99Å; Y273-I277 HydrophobicContact CD1-CG1 3.92Å; Y273-I277 HydrophobicContact CE1-CD1 4.41Å; Y273-I277 HydrophobicContact CE1-CG1 3.51Å; Y273-I277 HydrophobicContact CE2-CD1 4.49Å; Y273-I277 HydrophobicContact CE2-CG1 4.29Å; Y273-I277 HydrophobicContact CG-CG1 4.46Å; Y273-I277 WeakPolarHBondContact O-CG1 3.2Å; Y273-I277 PolarHBondContact O-N 3.11Å; Y273-L314 HydrophobicContact CD2-CD1 3.46Å; Y273-L314 VanDerWaalsContact CD2-CD1 3.46Å; Y273-L314 HydrophobicContact CE2-CD1 3.62Å; Y273-D317 HydrophobicContact CE2-CB 4.45Å; Y273-D317 WeakPolarHBondContact CE2-OD2 3.45Å; Y273-D317 PolarHBondContact OH-OD2 3.28Å
274R98.9Very high98.5Very high184 Ų18442 Ų4269%0.69422%0.22SC*.Hα-helixtrans-63.6-33.5-177.3-73.5166.356.5-156.8-3.9113T272 Y278T272-R274 PolarHBondContact O-N 2.53Å; R274-Y278 WeakPolarHBondContact O-CB 3.42Å; R274-Y278 PolarHBondContact O-N 3.07Å
275E98.9Very high98.5Very high37 Ų3746.4 Ų46.417%0.17324%0.242CC..Hα-helixtrans-75.1-43.4179.7-69.5164.8137.800111.3I222 I227 L271 T272 Y273 Y278 L279I222-E275 WeakPolarHBondContact CG2-OE1 3.38Å; I227-E275 HydrophobicContact CB-CB 4.19Å; I227-E275 HydrophobicContact CB-CG 3.92Å; I227-E275 HydrophobicContact CD1-CB 4.45Å; I227-E275 HydrophobicContact CG1-CB 4.04Å; I227-E275 HydrophobicContact CG1-CG 4.34Å; I227-E275 HydrophobicContact CG2-CB 4.34Å; I227-E275 HydrophobicContact CG2-CG 3.9Å; L271-E275 HydrophobicContact CD2-CB 4.18Å; T272-E275 WeakPolarHBondContact CB-OE2 3.26Å; T272-E275 WeakPolarHBondContact CG2-OE2 3.24Å; T272-E275 PolarHBondContact N-OE2 2.85Å; T272-E275 PolarHBondContact O-N 2.79Å; T272-E275 VanDerWaalsContact O-N 3.07Å; T272-E275 VanDerWaalsContact OG1-CD 3.27Å; T272-E275 VanDerWaalsContact OG1-CG 3.26Å; T272-E275 WeakPolarHBondContact OG1-CG 3.33Å; T272-E275 PolarHBondContact OG1-N 2.82Å; T272-E275 PolarHBondContact OG1-OE2 2.92Å; Y273-E275 VanDerWaalsContact C-N 3.29Å; Y273-E275 PolarHBondContact O-N 2.87Å; E275-Y278 PolarHBondContact O-N 2.84Å; E275-L279 WeakPolarHBondContact O-CB 3.37Å; E275-L279 PolarHBondContact O-N 2.89Å
276G98.8Very high98.5Very high0 Ų045.8 Ų45.80%024%0.238CC..Hα-helixtrans-62.4-44174.800000112.5T272 Y273 L279 A280T272-G276 PolarHBondContact O-N 2.87Å; T272-G276 VanDerWaalsContact O-N 3.12Å; Y273-G276 PolarHBondContact O-N 2.99Å; G276-L279 PolarHBondContact O-N 2.97Å; G276-A280 PolarHBondContact O-N 2.9Å
277I98.8Very high98.5Very high1 Ų144.7 Ų44.71%0.00524%0.24CC..Hα-helixtrans-65.6-41.2175-61.4-52.4000111.8Y273 L279 A280 E281 D317 V318 R327Y273-I277 HydrophobicContact CD1-CG1 3.92Å; Y273-I277 HydrophobicContact CE1-CD1 4.41Å; Y273-I277 HydrophobicContact CE1-CG1 3.51Å; Y273-I277 HydrophobicContact CE2-CD1 4.49Å; Y273-I277 HydrophobicContact CE2-CG1 4.29Å; Y273-I277 HydrophobicContact CG-CG1 4.46Å; Y273-I277 WeakPolarHBondContact O-CG1 3.2Å; Y273-I277 PolarHBondContact O-N 3.11Å; I277-L279 VanDerWaalsContact C-N 3.33Å; I277-L279 PolarHBondContact O-N 3.09Å; I277-A280 PolarHBondContact O-N 2.96Å; I277-E281 HydrophobicContact CG2-CG 4.32Å; I277-E281 WeakPolarHBondContact O-CG 3.48Å; I277-E281 PolarHBondContact O-N 2.93Å; I277-D317 HydrophobicContact CD1-CB 3.89Å; I277-V318 HydrophobicContact CD1-CG2 4.34Å; I277-R327 HydrophobicContact CG2-CG 4.11Å
278Y98.9Very high98.5Very high39 Ų3945.1 Ų45.115%0.15324%0.241CC..Hα-helixtrans-61.4-42.7176.2-178-87.1000111.8I227 Q228 M231 R274 E275 A280 E281 E282I227-Y278 HydrophobicContact CB-CD1 4.42Å; I227-Y278 HydrophobicContact CG1-CD1 4.04Å; I227-Y278 HydrophobicContact CG2-CD1 3.69Å; I227-Y278 HydrophobicContact CG2-CE1 4.34Å; I227-Y278 HydrophobicContact CG2-CG 4.03Å; Q228-Y278 VanDerWaalsContact CA-CE1 3.45Å; Q228-Y278 HydrophobicContact CB-CE1 4.02Å; Q228-Y278 WeakPolarHBondContact CG-OH 3.37Å; M231-Y278 HydrophobicContact CB-CE1 4.41Å; M231-Y278 HydrophobicContact CG-CD1 4.37Å; M231-Y278 HydrophobicContact CG-CE1 4.29Å; R274-Y278 WeakPolarHBondContact O-CB 3.42Å; R274-Y278 PolarHBondContact O-N 3.07Å; E275-Y278 PolarHBondContact O-N 2.84Å; Y278-A280 VanDerWaalsContact C-N 3.33Å; Y278-A280 PolarHBondContact O-N 3.45Å; Y278-E281 PolarHBondContact O-N 3.46Å; Y278-E282 HydrophobicContact CD1-CG 3.96Å; Y278-E282 HydrophobicContact CE1-CG 3.39Å; Y278-E282 HydrophobicContact CE2-CG 4.42Å; Y278-E282 WeakPolarHBondContact O-CG 3.29Å; Y278-E282 PolarHBondContact O-N 3.31Å
279L98.8Very high98.5Very high0 Ų039.9 Ų39.90%021%0.213CC..Hα-helixtrans-58.9-45.9174.8176.8150.6000111.3V142 V196 M231 L248 F250 E275 G276 I277 E282 I283V142-L279 HydrophobicContact CG1-CD1 4.28Å; V142-L279 HydrophobicContact CG2-CD1 3.74Å; V142-L279 HydrophobicContact CG2-CD2 3.81Å; V142-L279 HydrophobicContact CG2-CG 4.46Å; V196-L279 HydrophobicContact CB-CD1 4.15Å; V196-L279 HydrophobicContact CG1-CD1 3.87Å; V196-L279 HydrophobicContact CG2-CD1 4.39Å; M231-L279 HydrophobicContact CE-CB 4.47Å; M231-L279 HydrophobicContact CE-CD1 4.32Å; M231-L279 HydrophobicContact CE-CG 3.77Å; M231-L279 HydrophobicContact CG-CB 4.42Å; M231-L279 HydrophobicContact SD-CB 4Å; M231-L279 HydrophobicContact SD-CD1 3.54Å; M231-L279 VanDerWaalsContact SD-CD1 3.54Å; M231-L279 HydrophobicContact SD-CG 3.5Å; M231-L279 VanDerWaalsContact SD-CG 3.5Å; L248-L279 HydrophobicContact CD1-CD2 4.39Å; F250-L279 HydrophobicContact CE2-CD2 4.2Å; E275-L279 WeakPolarHBondContact O-CB 3.37Å; E275-L279 PolarHBondContact O-N 2.89Å; G276-L279 PolarHBondContact O-N 2.97Å; I277-L279 VanDerWaalsContact C-N 3.33Å; I277-L279 PolarHBondContact O-N 3.09Å; L279-E282 PolarHBondContact O-N 3.08Å; L279-I283 HydrophobicContact CD2-CD1 3.52Å; L279-I283 HydrophobicContact CD2-CG1 4.48Å; L279-I283 HydrophobicContact CG-CD1 4.26Å; L279-I283 WeakPolarHBondContact O-CG1 3.33Å; L279-I283 PolarHBondContact O-N 2.92Å
280A98.8Very high98.5Very high0 Ų038.8 Ų38.80%020%0.198CC..Hα-helixtrans-61.9-45.1178.200000112G276 I277 Y278 E282 I283 H284 S322G276-A280 PolarHBondContact O-N 2.9Å; I277-A280 PolarHBondContact O-N 2.96Å; Y278-A280 VanDerWaalsContact C-N 3.33Å; Y278-A280 PolarHBondContact O-N 3.45Å; A280-E282 PolarHBondContact O-N 2.95Å; A280-I283 PolarHBondContact O-N 3.47Å; A280-H284 PolarHBondContact O-N 2.8Å; A280-S322 WeakPolarHBondContact CB-OG 2.99Å
281E98.6Very high98.5Very high25 Ų2538.4 Ų38.412%0.11719%0.194CC..Hα-helixtrans-60.3-44174.8-72.7173.9165.100111.8I277 Y278 I283 H284 N285 R327I277-E281 HydrophobicContact CG2-CG 4.32Å; I277-E281 WeakPolarHBondContact O-CG 3.48Å; I277-E281 PolarHBondContact O-N 2.93Å; Y278-E281 PolarHBondContact O-N 3.46Å; E281-I283 VanDerWaalsContact C-N 3.31Å; E281-I283 PolarHBondContact O-N 3.4Å; E281-H284 WeakPolarHBondContact O-CB 3.47Å; E281-H284 PolarHBondContact O-N 3.05Å; E281-N285 WeakPolarHBondContact O-CB 3.38Å; E281-N285 PolarHBondContact O-N 3.06Å; E281-N285 PolarHBondContact O-ND2 2.79Å; E281-R327 VanDerWaalsContact CD-NE 3.35Å; E281-R327 VanDerWaalsContact OE1-CG 3.32Å; E281-R327 WeakPolarHBondContact OE1-CG 3.21Å; E281-R327 IonicContact OE1-CZ 2.63Å; E281-R327 PolarHBondContact OE1-N 3.26Å; E281-R327 IonicContact OE1-NE 3.43Å; E281-R327 PolarHBondContact OE1-NE 2.95Å; E281-R327 IonicContact OE1-NH2 3.46Å; E281-R327 IonicContact OE2-CZ 2.68Å; E281-R327 VanDerWaalsContact OE2-CZ 3.22Å; E281-R327 IonicContact OE2-NE 3.84Å; E281-R327 PolarHBondContact OE2-NE 2.93Å; E281-R327 VanDerWaalsContact OE2-NE 3.17Å; E281-R327 IonicContact OE2-NH2 2.85Å; E281-R327 PolarHBondContact OE2-NH2 3.1Å
282E98.8Very high98.5Very high42 Ų4238.4 Ų38.420%0.19619%0.194CC..Hα-helixtrans-65.4-35178.2-73.6-59.4108.200112.5M231 L235 Y278 L279 A280 N285 T286M231-E282 HydrophobicContact CB-CB 4.21Å; M231-E282 HydrophobicContact CB-CG 4.15Å; M231-E282 HydrophobicContact CE-CB 4.19Å; M231-E282 HydrophobicContact CG-CB 4.34Å; M231-E282 HydrophobicContact CG-CG 4.39Å; L235-E282 HydrophobicContact CD1-CB 4.39Å; Y278-E282 HydrophobicContact CD1-CG 3.96Å; Y278-E282 HydrophobicContact CE1-CG 3.39Å; Y278-E282 HydrophobicContact CE2-CG 4.42Å; Y278-E282 WeakPolarHBondContact O-CG 3.29Å; Y278-E282 PolarHBondContact O-N 3.31Å; L279-E282 PolarHBondContact O-N 3.08Å; A280-E282 PolarHBondContact O-N 2.95Å; E282-N285 PolarHBondContact O-N 3.12Å; E282-N285 PolarHBondContact OE1-ND2 2.93Å; E282-T286 WeakPolarHBondContact O-CG2 3.41Å; E282-T286 PolarHBondContact O-N 3.17Å
283I98.5Very high98.5Very high0 Ų035.2 Ų35.20%018%0.175CC..Hα-helixtrans-66.2-46.1173-70.8173000110.3I140 M231 I246 L248 L279 A280 E281 N285 T286 L289I140-I283 HydrophobicContact CD1-CD1 4.02Å; I140-I283 HydrophobicContact CD1-CG1 4.06Å; I140-I283 HydrophobicContact CG2-CD1 4.49Å; M231-I283 HydrophobicContact CE-CD1 4.43Å; M231-I283 HydrophobicContact CE-CG1 3.99Å; I246-I283 HydrophobicContact CG2-CG2 4.48Å; L248-I283 HydrophobicContact CB-CD1 4.49Å; L248-I283 HydrophobicContact CD1-CD1 3.63Å; L248-I283 HydrophobicContact CD2-CD1 3.69Å; L248-I283 HydrophobicContact CG-CD1 4.13Å; L279-I283 HydrophobicContact CD2-CD1 3.52Å; L279-I283 HydrophobicContact CD2-CG1 4.48Å; L279-I283 HydrophobicContact CG-CD1 4.26Å; L279-I283 WeakPolarHBondContact O-CG1 3.33Å; L279-I283 PolarHBondContact O-N 2.92Å; A280-I283 PolarHBondContact O-N 3.47Å; E281-I283 VanDerWaalsContact C-N 3.31Å; E281-I283 PolarHBondContact O-N 3.4Å; I283-N285 VanDerWaalsContact C-N 3.31Å; I283-N285 PolarHBondContact O-N 3.2Å; I283-T286 WeakPolarHBondContact O-CB 3.39Å; I283-T286 WeakPolarHBondContact O-CG2 3.27Å; I283-T286 PolarHBondContact O-N 3.32Å; I283-T286 PolarHBondContact O-OG1 3.3Å; I283-L289 HydrophobicContact CG2-CB 4.09Å; I283-L289 HydrophobicContact CG2-CD1 3.86Å; I283-L289 HydrophobicContact CG2-CD2 4.31Å; I283-L289 HydrophobicContact CG2-CG 4.31Å
284H97.9Very high98.5Very high58 Ų5830.9 Ų30.927%0.26916%0.158SC..Hα-helixtrans-56.3-46.1174.4176.670.9000111.8A280 E281 T286 G287 S322 G324A280-H284 PolarHBondContact O-N 2.8Å; E281-H284 WeakPolarHBondContact O-CB 3.47Å; E281-H284 PolarHBondContact O-N 3.05Å; H284-T286 PolarHBondContact O-N 3.42Å; H284-G287 PolarHBondContact O-N 3.15Å; H284-S322 WeakPolarHBondContact CB-O 3.46Å; H284-G324 VanDerWaalsContact CD2-CA 3.49Å; H284-G324 WeakPolarHBondContact CD2-CA 3.33Å; H284-G324 WeakPolarHBondContact CE1-CA 3.46Å; H284-G324 WeakPolarHBondContact ND1-CA 3.48Å; H284-G324 PolarHBondContact ND1-N 2.9Å; H284-G324 WeakPolarHBondContact NE2-CA 3.44Å
285N97.3Very high98.5Very high99 Ų9922.1 Ų22.153%0.52913%0.125SC..THydrogen-bonded Turntrans-59.4-16.7-179.3-72.2-22.6000113.9E281 E282 I283 G287E281-N285 WeakPolarHBondContact O-CB 3.38Å; E281-N285 PolarHBondContact O-N 3.06Å; E281-N285 PolarHBondContact O-ND2 2.79Å; E282-N285 PolarHBondContact O-N 3.12Å; E282-N285 PolarHBondContact OE1-ND2 2.93Å; I283-N285 VanDerWaalsContact C-N 3.31Å; I283-N285 PolarHBondContact O-N 3.2Å; N285-G287 VanDerWaalsContact C-N 3.33Å
286T97.9Very high98.5Very high34 Ų3420.5 Ų20.521%0.20912%0.117CC..THydrogen-bonded Turntrans-70.8-28.8172.171.10000112.9L235 L239 I246 E282 I283 H284 L288L235-T286 HydrophobicContact CD1-CG2 4Å; L235-T286 HydrophobicContact CD2-CG2 3.87Å; L239-T286 HydrophobicContact CD1-CG2 4.08Å; I246-T286 HydrophobicContact CD1-CG2 3.93Å; I246-T286 WeakPolarHBondContact CD1-OG1 3.28Å; E282-T286 WeakPolarHBondContact O-CG2 3.41Å; E282-T286 PolarHBondContact O-N 3.17Å; I283-T286 WeakPolarHBondContact O-CB 3.39Å; I283-T286 WeakPolarHBondContact O-CG2 3.27Å; I283-T286 PolarHBondContact O-N 3.32Å; I283-T286 PolarHBondContact O-OG1 3.3Å; H284-T286 PolarHBondContact O-N 3.42Å; T286-L288 PolarHBondContact O-N 3.4Å; T286-L288 PolarHBondContact OG1-N 2.8Å
287G96.6Very high98.5Very high48 Ų4820.6 Ų20.650%0.49512%0.117SC..THydrogen-bonded Turntrans6615.4-168.700000114H284 N285H284-G287 PolarHBondContact O-N 3.15Å; N285-G287 VanDerWaalsContact C-N 3.33Å
288L98.2Very high98.5Very high37 Ų3720.6 Ų20.619%0.19412%0.117CC..  trans-1171.6-172.2-64.8171.2000113.8L239 Q243 I246 T286 S290L239-L288 HydrophobicContact CD1-CD1 4.1Å; L239-L288 HydrophobicContact CD2-CD1 4.15Å; Q243-L288 HydrophobicContact CB-CD1 4.05Å; Q243-L288 HydrophobicContact CB-CD2 4.19Å; Q243-L288 HydrophobicContact CG-CD1 4.26Å; I246-L288 HydrophobicContact CD1-CB 4.01Å; I246-L288 HydrophobicContact CG1-CB 4.07Å; I246-L288 PolarHBondContact N-O 3.06Å; T286-L288 PolarHBondContact O-N 3.4Å; T286-L288 PolarHBondContact OG1-N 2.8Å; L288-S290 PolarHBondContact O-N 3.4Å
289L98.6Very high98.5Very high20 Ų2019.8 Ų19.811%0.10512%0.117CC..EExtended strand (participates in β ladder)trans-63.2121.5174.6-17765.3000110.4I246 L248 I283 A291 S322 L323I246-L289 HydrophobicContact CG2-CD1 4.45Å; L248-L289 HydrophobicContact CB-CD1 3.91Å; I283-L289 HydrophobicContact CG2-CB 4.09Å; I283-L289 HydrophobicContact CG2-CD1 3.86Å; I283-L289 HydrophobicContact CG2-CD2 4.31Å; I283-L289 HydrophobicContact CG2-CG 4.31Å; L289-A291 VanDerWaalsContact CD1-O 3.31Å; L289-A291 WeakPolarHBondContact CD1-O 3.4Å; L289-S322 VanDerWaalsContact CD2-O 3.23Å; L289-S322 WeakPolarHBondContact CD2-O 3.34Å; L289-L323 HydrophobicContact CD2-CD2 4.25Å
290S98.6Very high98.4Very high22 Ų2224.3 Ų24.315%0.15414%0.144CC..EExtended strand (participates in β ladder)trans-119.5-23-178.6-171.80000113T112 V113 H130 I246 L288T112-S290 WeakPolarHBondContact CA-O 3.37Å; V113-S290 PolarHBondContact N-O 2.91Å; H130-S290 WeakPolarHBondContact NE2-CB 3.36Å; H130-S290 PolarHBondContact NE2-OG 2.99Å; I246-S290 PolarHBondContact O-N 3.13Å; L288-S290 PolarHBondContact O-N 3.4Å
291A98.8Very high98.4Very high1 Ų126.9 Ų26.91%0.00816%0.158CC..EExtended strand (participates in β ladder)trans-152.9146.1172.300000110.9V113 I246 H247 L248 L289V113-A291 HydrophobicContact CB-CB 4.17Å; V113-A291 CarbonylContact O-C 3.55Å; V113-A291 VanDerWaalsContact O-CA 3.23Å; V113-A291 WeakPolarHBondContact O-CA 3.19Å; I246-A291 PolarHBondContact O-N 2.83Å; H247-A291 WeakPolarHBondContact CA-O 3.33Å; H247-A291 VanDerWaalsContact ND1-CB 3.32Å; H247-A291 WeakPolarHBondContact ND1-CB 3.28Å; L248-A291 PolarHBondContact N-O 2.6Å; L289-A291 VanDerWaalsContact CD1-O 3.31Å; L289-A291 WeakPolarHBondContact CD1-O 3.4Å
292I98.8Very high98.2Very high0 Ų026.4 Ų26.40%016%0.16CC..EExtended strand (participates in β ladder)trans-129134170.6-177.7173.8000109.7V113 V114 M115 L248 I319V113-I292 PolarHBondContact O-N 3.02Å; V114-I292 HydrophobicContact CB-CG2 4.01Å; V114-I292 HydrophobicContact CG1-CG2 4.1Å; V114-I292 HydrophobicContact CG2-CG2 3.58Å; M115-I292 PolarHBondContact N-O 3.49Å; L248-I292 HydrophobicContact CB-CB 4.43Å; L248-I292 HydrophobicContact CB-CG1 4.28Å; L248-I292 HydrophobicContact CD2-CD1 3.8Å; L248-I292 HydrophobicContact CD2-CG1 4.07Å; L248-I292 HydrophobicContact CG-CD1 4.4Å; L248-I292 HydrophobicContact CG-CG1 4.14Å; L248-I292 CarbonylContact O-C 3.31Å; L248-I292 VanDerWaalsContact O-CA 3.25Å; L248-I292 WeakPolarHBondContact O-CA 3.48Å; I292-I319 HydrophobicContact CD1-CG1 4.06Å
293D98.9Very high98Very high1 Ų129.2 Ų29.21%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-104.6130.2166.7-65.5-10.9000108.2M115 S126 H247 L248 F250 V295M115-D293 WeakPolarHBondContact CB-OD1 3.3Å; M115-D293 HydrophobicContact CE-CB 3.46Å; M115-D293 VanDerWaalsContact CE-CB 3.46Å; M115-D293 WeakPolarHBondContact CE-OD1 3.24Å; S126-D293 VanDerWaalsContact CB-OD1 3.26Å; S126-D293 WeakPolarHBondContact CB-OD1 3.46Å; S126-D293 VanDerWaalsContact CB-OD2 3.29Å; S126-D293 WeakPolarHBondContact CB-OD2 3.2Å; S126-D293 PolarHBondContact OG-OD1 3.09Å; S126-D293 PolarHBondContact OG-OD2 2.82Å; H247-D293 IonicContact CE1-OD1 2.64Å; H247-D293 PolarHBondContact CE1-OD1 2.96Å; H247-D293 IonicContact CE1-OD2 3.7Å; H247-D293 VanDerWaalsContact NE2-CG 3.34Å; H247-D293 IonicContact NE2-OD1 3.22Å; H247-D293 IonicContact NE2-OD2 3.83Å; H247-D293 PolarHBondContact NE2-OD2 3.36Å; H247-D293 VanDerWaalsContact NE2-OD2 3.14Å; L248-D293 PolarHBondContact O-N 3.25Å; F250-D293 WeakPolarHBondContact CA-O 3.28Å; F250-D293 WeakPolarHBondContact CB-O 3.45Å; F250-D293 PolarHBondContact N-O 3.33Å; D293-V295 HydrophobicContact CB-CG1 4.21Å
294M98.9Very high98Very high1 Ų133.4 Ų33.41%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-121.1106.6172.8177.45663.100108.6I50 M115 L116 G117 F250 I252 A315 V318 I319I50-M294 HydrophobicContact CD1-CG 3.99Å; M115-M294 PolarHBondContact O-N 3.18Å; L116-M294 HydrophobicContact CD2-CB 4.49Å; G117-M294 PolarHBondContact N-O 2.86Å; F250-M294 HydrophobicContact CB-CE 4.07Å; F250-M294 HydrophobicContact CD1-CE 3.9Å; F250-M294 HydrophobicContact CD1-SD 4.37Å; F250-M294 HydrophobicContact CG-CE 4.01Å; I252-M294 HydrophobicContact CB-SD 4.47Å; I252-M294 HydrophobicContact CD1-SD 3.99Å; M294-A315 HydrophobicContact CE-CB 4.42Å; M294-A315 HydrophobicContact CG-CB 3.78Å; M294-A315 HydrophobicContact SD-CB 3.77Å; M294-V318 HydrophobicContact CE-CB 3.77Å; M294-V318 HydrophobicContact CE-CG1 3.57Å; M294-I319 HydrophobicContact CB-CD1 3.93Å; M294-I319 HydrophobicContact CB-CG1 4.22Å; M294-I319 HydrophobicContact CE-CG1 4.23Å; M294-I319 HydrophobicContact CG-CD1 4.04Å; M294-I319 HydrophobicContact CG-CG1 4.46Å
295V98.9Very high97.9Very high0 Ų036.5 Ų36.50%023%0.227CC..EExtended strand (participates in β ladder)trans-124.3172.5-164.4-570000113M115 H120 F250 D251 I252 D293 V297M115-V295 HydrophobicContact CE-CG1 3.81Å; H120-V295 HydrophobicContact CB-CG2 4.06Å; F250-V295 PolarHBondContact O-N 3.32Å; F250-V295 VanDerWaalsContact O-N 3.15Å; D251-V295 HydrophobicContact CB-CG2 4.15Å; I252-V295 WeakPolarHBondContact CG2-O 3.48Å; I252-V295 PolarHBondContact N-O 3.14Å; D293-V295 HydrophobicContact CB-CG1 4.21Å; V295-V297 PolarHBondContact O-N 3.48Å
296E98.9Very high97.9Very high2 Ų238.8 Ų38.81%0.00924%0.235CC..  trans62.210173.3-62-66.617700116.7G118 D119 H120 H160 D251 I252 T263 N298G118-E296 PolarHBondContact O-N 2.98Å; D119-E296 VanDerWaalsContact CA-OE1 3.26Å; D119-E296 WeakPolarHBondContact CA-OE1 3.5Å; D119-E296 WeakPolarHBondContact CB-OE1 3.41Å; H120-E296 HydrophobicContact CB-CG 4.29Å; H120-E296 PolarHBondContact N-OE1 3.26Å; H160-E296 IonicContact CE1-OE1 3Å; H160-E296 IonicContact CG-OE1 3.21Å; H160-E296 IonicContact ND1-OE1 3.86Å; H160-E296 PolarHBondContact ND1-OE1 2.81Å; D251-E296 WeakPolarHBondContact OD1-CB 3.32Å; D251-E296 WeakPolarHBondContact OD2-CG 3.27Å; I252-E296 HydrophobicContact CG2-CB 4.36Å; T263-E296 WeakPolarHBondContact CA-O 3.14Å; T263-E296 PolarHBondContact OG1-O 2.72Å; T263-E296 VanDerWaalsContact OG1-O 3.12Å; E296-N298 PolarHBondContact O-N 2.84Å
297V98.9Very high97.9Very high2 Ų237.8 Ų37.81%0.01223%0.23CC..BIsolated β-bridgetrans-66.5108.5166.7-179.40000109.4G46 V49 I50 I252 V295 T311 A315G46-V297 VanDerWaalsContact CA-O 3.26Å; G46-V297 WeakPolarHBondContact CA-O 3.33Å; V49-V297 HydrophobicContact CG2-CG1 3.86Å; I50-V297 HydrophobicContact CD1-CB 4.25Å; I50-V297 HydrophobicContact CD1-CG2 3.98Å; I50-V297 HydrophobicContact CG1-CG1 4.45Å; I50-V297 HydrophobicContact CG1-CG2 4.39Å; I252-V297 HydrophobicContact CB-CG2 3.93Å; I252-V297 HydrophobicContact CG1-CG2 4.01Å; I252-V297 HydrophobicContact CG2-CG2 3.92Å; V295-V297 PolarHBondContact O-N 3.48Å; V297-T311 HydrophobicContact CG1-CG2 4.24Å; V297-T311 HydrophobicContact CG2-CG2 4.37Å; V297-A315 HydrophobicContact CG2-CB 4.18Å
298N98.8Very high98Very high1 Ų136.1 Ų36.11%0.00521%0.21CC..  trans-119.493.2-179.3-169.8-25000111.1G41 G42 V43 A262 E296 V300 L301G41-N298 PolarHBondContact O-ND2 3.48Å; G42-N298 WeakPolarHBondContact CA-OD1 3.24Å; V43-N298 HydrophobicContact CB-CB 4.08Å; V43-N298 HydrophobicContact CG2-CB 4.3Å; V43-N298 VanDerWaalsContact N-CG 3.34Å; V43-N298 PolarHBondContact N-ND2 2.67Å; V43-N298 PolarHBondContact N-OD1 2.92Å; A262-N298 CarbonylContact C-O 2.96Å; A262-N298 WeakPolarHBondContact CB-O 3.32Å; A262-N298 CarbonylContact O-C 3.52Å; A262-N298 PolarHBondContact O-N 3Å; E296-N298 PolarHBondContact O-N 2.84Å; N298-V300 PolarHBondContact O-N 2.83Å; N298-V300 VanDerWaalsContact O-N 3.12Å; N298-V300 WeakPolarHBondContact OD1-CB 3.45Å; N298-V300 PolarHBondContact OD1-N 3.35Å; N298-V300 VanDerWaalsContact OD1-N 3.15Å; N298-L301 HydrophobicContact CB-CB 4.5Å; N298-L301 HydrophobicContact CB-CD1 4.02Å; N298-L301 HydrophobicContact CB-CG 4.22Å; N298-L301 PolarHBondContact O-N 2.9Å
299P98.1Very high98Very high22 Ų2239.2 Ų39.214%0.14322%0.224CC..G310 helixtrans-63.1-21.5-176.926.2-36.6000113.9G42 H45 V49 L301 G302 V308G42-P299 WeakPolarHBondContact O-CD 3.46Å; H45-P299 HydrophobicContact CB-CG 3.59Å; V49-P299 HydrophobicContact CG1-CB 3.9Å; V49-P299 HydrophobicContact CG1-CG 3.89Å; V49-P299 HydrophobicContact CG2-CB 4.31Å; V49-P299 HydrophobicContact CG2-CG 4.14Å; P299-L301 PolarHBondContact O-N 2.94Å; P299-G302 PolarHBondContact O-N 2.92Å; P299-V308 HydrophobicContact CB-CG1 3.56Å; P299-V308 HydrophobicContact CB-CG2 4.17Å; P299-V308 WeakPolarHBondContact O-CG2 3.29Å
300V98.1Very high98Very high95 Ų9540.5 Ų40.558%0.57624%0.237SC*.G310 helixtrans-72.6-20.4178.9-1790000111.8N298N298-V300 PolarHBondContact O-N 2.83Å; N298-V300 VanDerWaalsContact O-N 3.12Å; N298-V300 WeakPolarHBondContact OD1-CB 3.45Å; N298-V300 PolarHBondContact OD1-N 3.35Å; N298-V300 VanDerWaalsContact OD1-N 3.15Å
301L97.4Very high98Very high55 Ų5539.4 Ų39.429%0.28823%0.23SC..G310 helixtrans-92.2-8.6178.4-60.4179.4000113.2T263 N298 P299 A303T263-L301 VanDerWaalsContact O-CD1 3.28Å; T263-L301 WeakPolarHBondContact O-CD1 3.36Å; N298-L301 HydrophobicContact CB-CB 4.5Å; N298-L301 HydrophobicContact CB-CD1 4.02Å; N298-L301 HydrophobicContact CB-CG 4.22Å; N298-L301 PolarHBondContact O-N 2.9Å; P299-L301 PolarHBondContact O-N 2.94Å; L301-A303 PolarHBondContact O-N 3.08Å
302G95.4Very high98Very high15 Ų1539.5 Ų39.516%0.15523%0.23CC..  trans-65.4130.2171.500000111P299 N304P299-G302 PolarHBondContact O-N 2.92Å; G302-N304 PolarHBondContact O-N 2.89Å
303A94.8Very high98Very high101 Ų10142 Ų4284%0.83525%0.248SC*.SBendtrans-65.1-24.9-177.400000113.5L301L301-A303 PolarHBondContact O-N 3.08Å
304N97.3Very high98Very high88 Ų8842.3 Ų42.347%0.47125%0.249SC..SBendtrans-156.9175.3177.858.139000109.8G302 E306 A307 V308G302-N304 PolarHBondContact O-N 2.89Å; N304-E306 VanDerWaalsContact C-N 3.32Å; N304-E306 PolarHBondContact O-N 3.32Å; N304-E306 WeakPolarHBondContact OD1-CB 3.43Å; N304-E306 PolarHBondContact OD1-N 3.31Å; N304-A307 WeakPolarHBondContact O-CB 3.4Å; N304-A307 PolarHBondContact O-N 2.75Å; N304-A307 WeakPolarHBondContact OD1-CB 3.48Å; N304-A307 PolarHBondContact OD1-N 3.14Å; N304-V308 PolarHBondContact O-N 2.97Å
305Q97.2Very high98Very high122 Ų12242.3 Ų42.357%0.5725%0.249SC*.Hα-helixtrans-60.8-38.5-179-176.960.328.700112.9A307 V308 E309Q305-A307 VanDerWaalsContact C-N 3.34Å; Q305-A307 PolarHBondContact O-N 3.12Å; Q305-V308 WeakPolarHBondContact O-CB 3.36Å; Q305-V308 PolarHBondContact O-N 3.47Å; Q305-E309 HydrophobicContact CG-CG 4.41Å; Q305-E309 VanDerWaalsContact CG-OE1 3.24Å; Q305-E309 WeakPolarHBondContact CG-OE1 3.25Å; Q305-E309 PolarHBondContact NE2-OE1 3.42Å; Q305-E309 WeakPolarHBondContact O-CG 3.06Å; Q305-E309 PolarHBondContact O-N 2.95Å
306E97.8Very high98Very high147 Ų14742.5 Ų42.569%0.68725%0.25SS*.Hα-helixtrans-61.9-40.7178.2-176.8-178.9-176.600111.8N304 V308 E309 A310N304-E306 VanDerWaalsContact C-N 3.32Å; N304-E306 PolarHBondContact O-N 3.32Å; N304-E306 WeakPolarHBondContact OD1-CB 3.43Å; N304-E306 PolarHBondContact OD1-N 3.31Å; E306-V308 VanDerWaalsContact C-N 3.33Å; E306-V308 PolarHBondContact O-N 3.5Å; E306-E309 PolarHBondContact O-N 2.82Å; E306-A310 VanDerWaalsContact O-CB 3.28Å; E306-A310 WeakPolarHBondContact O-CB 3.43Å; E306-A310 PolarHBondContact O-N 3.38Å
307A97.9Very high98Very high14 Ų1443.8 Ų43.812%0.11626%0.258CS..Hα-helixtrans-63.7-38.2176.100000112.3P261 N304 Q305 T311P261-A307 HydrophobicContact CB-CB 4.33Å; P261-A307 HydrophobicContact CG-CB 3.65Å; N304-A307 WeakPolarHBondContact O-CB 3.4Å; N304-A307 PolarHBondContact O-N 2.75Å; N304-A307 WeakPolarHBondContact OD1-CB 3.48Å; N304-A307 PolarHBondContact OD1-N 3.14Å; Q305-A307 VanDerWaalsContact C-N 3.34Å; Q305-A307 PolarHBondContact O-N 3.12Å; A307-T311 PolarHBondContact O-N 3.26Å; A307-T311 PolarHBondContact O-OG1 2.97Å
308V98.4Very high98Very high13 Ų1343.7 Ų43.78%0.07926%0.257CS..Hα-helixtrans-67.2-47.6175.1176.40000110.6V49 P299 N304 Q305 E306 A310 T311 A312V49-V308 HydrophobicContact CG1-CG1 4.45Å; P299-V308 HydrophobicContact CB-CG1 3.56Å; P299-V308 HydrophobicContact CB-CG2 4.17Å; P299-V308 WeakPolarHBondContact O-CG2 3.29Å; N304-V308 PolarHBondContact O-N 2.97Å; Q305-V308 WeakPolarHBondContact O-CB 3.36Å; Q305-V308 PolarHBondContact O-N 3.47Å; E306-V308 VanDerWaalsContact C-N 3.33Å; E306-V308 PolarHBondContact O-N 3.5Å; V308-A310 PolarHBondContact O-N 3.28Å; V308-T311 PolarHBondContact O-N 2.65Å; V308-A312 WeakPolarHBondContact O-CB 3.26Å; V308-A312 PolarHBondContact O-N 2.71Å
309E98.3Very high98Very high102 Ų10243.7 Ų43.748%0.47726%0.257SS..Hα-helixtrans-63-40.4179-74.4170.7-17300112.1Q305 E306 A312 S313Q305-E309 HydrophobicContact CG-CG 4.41Å; Q305-E309 VanDerWaalsContact CG-OE1 3.24Å; Q305-E309 WeakPolarHBondContact CG-OE1 3.25Å; Q305-E309 PolarHBondContact NE2-OE1 3.42Å; Q305-E309 WeakPolarHBondContact O-CG 3.06Å; Q305-E309 PolarHBondContact O-N 2.95Å; E306-E309 PolarHBondContact O-N 2.82Å; E309-A312 PolarHBondContact O-N 3.39Å; E309-S313 WeakPolarHBondContact O-CB 3.49Å; E309-S313 PolarHBondContact O-N 3.3Å; E309-S313 PolarHBondContact O-OG 2.87Å
310A98.4Very high98Very high46 Ų4642.6 Ų42.638%0.3825%0.25SC..Hα-helixtrans-61.4-47175.800000111.4E306 V308 L314E306-A310 VanDerWaalsContact O-CB 3.28Å; E306-A310 WeakPolarHBondContact O-CB 3.43Å; E306-A310 PolarHBondContact O-N 3.38Å; V308-A310 PolarHBondContact O-N 3.28Å; A310-L314 VanDerWaalsContact O-CB 3.28Å; A310-L314 WeakPolarHBondContact O-CB 3.48Å; A310-L314 PolarHBondContact O-N 2.75Å
311T98.8Very high98.1Very high0 Ų038.4 Ų38.40%023%0.225CC..Hα-helixtrans-65.7-44.7179.1-51.30000111.4I252 A260 P261 A262 V297 A307 V308 L314 A315I252-T311 HydrophobicContact CG1-CG2 3.79Å; I252-T311 HydrophobicContact CG2-CG2 4.49Å; A260-T311 HydrophobicContact CB-CG2 4.14Å; P261-T311 VanDerWaalsContact CD-OG1 3.27Å; P261-T311 WeakPolarHBondContact CD-OG1 3.27Å; A262-T311 HydrophobicContact CB-CG2 4.05Å; A262-T311 WeakPolarHBondContact CB-OG1 3.02Å; A262-T311 PolarHBondContact N-OG1 3.43Å; A262-T311 VanDerWaalsContact N-OG1 3.09Å; V297-T311 HydrophobicContact CG1-CG2 4.24Å; V297-T311 HydrophobicContact CG2-CG2 4.37Å; A307-T311 PolarHBondContact O-N 3.26Å; A307-T311 PolarHBondContact O-OG1 2.97Å; V308-T311 PolarHBondContact O-N 2.65Å; T311-L314 PolarHBondContact O-N 3.46Å; T311-A315 PolarHBondContact O-N 3.14Å
312A98.8Very high98.1Very high3 Ų335.8 Ų35.83%0.02521%0.211CC..Hα-helixtrans-66.8-41.5179.200000112.2V49 A53 V308 E309 L314 A315 V316V49-A312 HydrophobicContact CB-CB 4.37Å; V49-A312 HydrophobicContact CG2-CB 4.37Å; A53-A312 HydrophobicContact CB-CB 3.99Å; V308-A312 WeakPolarHBondContact O-CB 3.26Å; V308-A312 PolarHBondContact O-N 2.71Å; E309-A312 PolarHBondContact O-N 3.39Å; A312-L314 VanDerWaalsContact C-N 3.34Å; A312-A315 WeakPolarHBondContact O-CB 3.48Å; A312-A315 PolarHBondContact O-N 2.99Å; A312-V316 WeakPolarHBondContact O-CG2 3.28Å; A312-V316 PolarHBondContact O-N 3Å
313S98.7Very high98.2Very high53 Ų5335.3 Ų35.337%0.37121%0.205SC..Hα-helixtrans-64.9-39.2176.1-58.30000111.5E309 A315 V316 D317E309-S313 WeakPolarHBondContact O-CB 3.49Å; E309-S313 PolarHBondContact O-N 3.3Å; E309-S313 PolarHBondContact O-OG 2.87Å; S313-A315 PolarHBondContact O-N 3.26Å; S313-V316 WeakPolarHBondContact O-CB 3.28Å; S313-V316 PolarHBondContact O-N 3.48Å; S313-D317 PolarHBondContact O-N 3.06Å
314L98.9Very high98.2Very high7 Ų731.4 Ų31.44%0.03717%0.174CC..Hα-helixtrans-62.2-42.1174.8-17955.6000112.2I252 F255 L259 A260 Y273 A310 T311 A312 V316 D317 V318I252-L314 HydrophobicContact CD1-CD2 4.47Å; I252-L314 HydrophobicContact CD1-CG 4.25Å; F255-L314 HydrophobicContact CB-CD2 4.14Å; F255-L314 HydrophobicContact CD1-CD2 4.12Å; F255-L314 HydrophobicContact CD2-CD2 3.62Å; F255-L314 HydrophobicContact CD2-CG 4.03Å; F255-L314 HydrophobicContact CE1-CD1 4.13Å; F255-L314 HydrophobicContact CE1-CD2 4.42Å; F255-L314 HydrophobicContact CE2-CD1 3.99Å; F255-L314 HydrophobicContact CE2-CD2 3.93Å; F255-L314 HydrophobicContact CE2-CG 3.83Å; F255-L314 HydrophobicContact CG-CD2 3.71Å; F255-L314 HydrophobicContact CG-CG 4.49Å; F255-L314 HydrophobicContact CZ-CD1 3.78Å; F255-L314 HydrophobicContact CZ-CD2 4.32Å; F255-L314 HydrophobicContact CZ-CG 4.15Å; L259-L314 HydrophobicContact CB-CD2 3.91Å; A260-L314 HydrophobicContact CB-CD2 4.21Å; Y273-L314 HydrophobicContact CD2-CD1 3.46Å; Y273-L314 VanDerWaalsContact CD2-CD1 3.46Å; Y273-L314 HydrophobicContact CE2-CD1 3.62Å; A310-L314 VanDerWaalsContact O-CB 3.28Å; A310-L314 WeakPolarHBondContact O-CB 3.48Å; A310-L314 PolarHBondContact O-N 2.75Å; T311-L314 PolarHBondContact O-N 3.46Å; A312-L314 VanDerWaalsContact C-N 3.34Å; L314-V316 VanDerWaalsContact C-N 3.33Å; L314-V316 PolarHBondContact O-N 2.95Å; L314-D317 PolarHBondContact O-N 3.03Å; L314-V318 WeakPolarHBondContact O-CG2 3.49Å; L314-V318 PolarHBondContact O-N 3.2Å
315A98.9Very high98.1Very high0 Ų029.3 Ų29.30%016%0.162CC..Hα-helixtrans-59.5-43.6173.500000111.7I50 I252 M294 V297 T311 A312 S313 V318 I319I50-A315 HydrophobicContact CD1-CB 4.2Å; I50-A315 HydrophobicContact CG1-CB 4.05Å; I252-A315 HydrophobicContact CD1-CB 4.03Å; M294-A315 HydrophobicContact CE-CB 4.42Å; M294-A315 HydrophobicContact CG-CB 3.78Å; M294-A315 HydrophobicContact SD-CB 3.77Å; V297-A315 HydrophobicContact CG2-CB 4.18Å; T311-A315 PolarHBondContact O-N 3.14Å; A312-A315 WeakPolarHBondContact O-CB 3.48Å; A312-A315 PolarHBondContact O-N 2.99Å; S313-A315 PolarHBondContact O-N 3.26Å; A315-V318 PolarHBondContact O-N 3.13Å; A315-I319 WeakPolarHBondContact O-CD1 3.24Å; A315-I319 VanDerWaalsContact O-CG1 3.28Å; A315-I319 WeakPolarHBondContact O-CG1 3.39Å; A315-I319 PolarHBondContact O-N 3.13Å; A315-I319 VanDerWaalsContact O-N 3.12Å
316V98.9Very high98Very high4 Ų426.3 Ų26.32%0.02415%0.152CC..Hα-helixtrans-61.4-46174.9173.20000111.5I50 A53 L55 R58 A312 S313 L314 V318 I319 A320I50-V316 HydrophobicContact CG2-CG2 3.94Å; I50-V316 WeakPolarHBondContact O-CG2 3.29Å; A53-V316 HydrophobicContact CB-CG2 3.87Å; L55-V316 HydrophobicContact CB-CG2 4.08Å; L55-V316 HydrophobicContact CD1-CG1 4.26Å; L55-V316 HydrophobicContact CD1-CG2 4.41Å; R58-V316 HydrophobicContact CB-CG1 4.21Å; R58-V316 HydrophobicContact CG-CG1 4.23Å; A312-V316 WeakPolarHBondContact O-CG2 3.28Å; A312-V316 PolarHBondContact O-N 3Å; S313-V316 WeakPolarHBondContact O-CB 3.28Å; S313-V316 PolarHBondContact O-N 3.48Å; L314-V316 VanDerWaalsContact C-N 3.33Å; L314-V316 PolarHBondContact O-N 2.95Å; V316-V318 VanDerWaalsContact C-N 3.34Å; V316-V318 PolarHBondContact O-N 3.16Å; V316-I319 PolarHBondContact O-N 3Å; V316-A320 VanDerWaalsContact O-CB 3.32Å; V316-A320 WeakPolarHBondContact O-CB 3.4Å; V316-A320 PolarHBondContact O-N 2.87Å
317D98.9Very high97.9Very high30 Ų3025.5 Ų25.516%0.1614%0.142CC..Hα-helixtrans-60.8-42.5-179.7-73.9-15000111.5Y273 I277 S313 L314 A320 S321Y273-D317 HydrophobicContact CE2-CB 4.45Å; Y273-D317 WeakPolarHBondContact CE2-OD2 3.45Å; Y273-D317 PolarHBondContact OH-OD2 3.28Å; I277-D317 HydrophobicContact CD1-CB 3.89Å; S313-D317 PolarHBondContact O-N 3.06Å; L314-D317 PolarHBondContact O-N 3.03Å; D317-A320 PolarHBondContact O-N 3.48Å; D317-S321 VanDerWaalsContact O-CB 3.31Å; D317-S321 WeakPolarHBondContact O-CB 3.48Å; D317-S321 PolarHBondContact O-N 3.4Å; D317-S321 PolarHBondContact O-OG 3.07Å
318V98.9Very high97.7Very high0 Ų033.9 Ų33.90%018%0.179CC..Hα-helixtrans-62-46.8175.71700000111.7F250 F255 I277 M294 L314 A315 V316 S322F250-V318 HydrophobicContact CD1-CG1 4.47Å; F250-V318 HydrophobicContact CD2-CG1 3.63Å; F250-V318 HydrophobicContact CE2-CG1 3.68Å; F250-V318 HydrophobicContact CE2-CG2 4.34Å; F250-V318 HydrophobicContact CG-CG1 4.06Å; F250-V318 HydrophobicContact CZ-CG1 4.18Å; F250-V318 HydrophobicContact CZ-CG2 4.13Å; F255-V318 HydrophobicContact CE2-CG2 3.64Å; F255-V318 HydrophobicContact CZ-CG2 3.61Å; I277-V318 HydrophobicContact CD1-CG2 4.34Å; M294-V318 HydrophobicContact CE-CB 3.77Å; M294-V318 HydrophobicContact CE-CG1 3.57Å; L314-V318 WeakPolarHBondContact O-CG2 3.49Å; L314-V318 PolarHBondContact O-N 3.2Å; A315-V318 PolarHBondContact O-N 3.13Å; V316-V318 VanDerWaalsContact C-N 3.34Å; V316-V318 PolarHBondContact O-N 3.16Å; V318-S322 WeakPolarHBondContact O-CB 3.43Å; V318-S322 PolarHBondContact O-N 3.12Å; V318-S322 PolarHBondContact O-OG 3.48Å
319I98.8Very high97Very high0 Ų035.5 Ų35.50%020%0.198CC..Hα-helixtrans-62.8-47179.8-64.2161.8000110I50 L55 L59 V114 L116 I292 M294 A315 V316 S322 L323I50-I319 HydrophobicContact CG2-CD1 4.24Å; L55-I319 HydrophobicContact CD1-CB 4.04Å; L55-I319 HydrophobicContact CD1-CD1 3.98Å; L55-I319 HydrophobicContact CD1-CG2 3.81Å; L55-I319 HydrophobicContact CD2-CD1 4.21Å; L59-I319 HydrophobicContact CD1-CG2 4.32Å; L59-I319 HydrophobicContact CD2-CG2 4.37Å; V114-I319 HydrophobicContact CG1-CD1 4.13Å; V114-I319 HydrophobicContact CG1-CG1 4.47Å; V114-I319 HydrophobicContact CG1-CG2 3.9Å; V114-I319 HydrophobicContact CG2-CG2 4.01Å; L116-I319 HydrophobicContact CD2-CD1 3.72Å; I292-I319 HydrophobicContact CD1-CG1 4.06Å; M294-I319 HydrophobicContact CB-CD1 3.93Å; M294-I319 HydrophobicContact CB-CG1 4.22Å; M294-I319 HydrophobicContact CE-CG1 4.23Å; M294-I319 HydrophobicContact CG-CD1 4.04Å; M294-I319 HydrophobicContact CG-CG1 4.46Å; A315-I319 WeakPolarHBondContact O-CD1 3.24Å; A315-I319 VanDerWaalsContact O-CG1 3.28Å; A315-I319 WeakPolarHBondContact O-CG1 3.39Å; A315-I319 PolarHBondContact O-N 3.13Å; A315-I319 VanDerWaalsContact O-N 3.12Å; V316-I319 PolarHBondContact O-N 3Å; I319-S322 WeakPolarHBondContact O-CB 3.26Å; I319-S322 PolarHBondContact O-N 3.02Å; I319-L323 HydrophobicContact CG2-CD1 4.1Å; I319-L323 PolarHBondContact O-N 3.29Å; I319-L323 VanDerWaalsContact O-N 3.16Å
320A98.4Very high95.6Very high0 Ų034.7 Ų34.70%021%0.209CC..Hα-helixtrans-66.5-40.8-178.100000112.3R58 L59 L62 V316 D317 L323 G324 Q325R58-A320 HydrophobicContact CG-CB 3.58Å; L59-A320 HydrophobicContact CD2-CB 4.31Å; L62-A320 HydrophobicContact CD1-CB 4.3Å; V316-A320 VanDerWaalsContact O-CB 3.32Å; V316-A320 WeakPolarHBondContact O-CB 3.4Å; V316-A320 PolarHBondContact O-N 2.87Å; D317-A320 PolarHBondContact O-N 3.48Å; A320-L323 CarbonylContact O-C 3.58Å; A320-L323 VanDerWaalsContact O-C 3.3Å; A320-L323 WeakPolarHBondContact O-CA 3.38Å; A320-L323 PolarHBondContact O-N 3.46Å; A320-L323 VanDerWaalsContact O-N 3.1Å; A320-G324 PolarHBondContact O-N 3.35Å; A320-Q325 HydrophobicContact CB-CB 4.09Å; A320-Q325 WeakPolarHBondContact O-CB 3.5Å; A320-Q325 PolarHBondContact O-N 3.15Å
321S98.4Very high93.5Very high6 Ų641.7 Ų41.74%0.04223%0.233CC..Hα-helixtrans-66.4-36.1174-760000112.6D317 L323 G324 Q325D317-S321 VanDerWaalsContact O-CB 3.31Å; D317-S321 WeakPolarHBondContact O-CB 3.48Å; D317-S321 PolarHBondContact O-N 3.4Å; D317-S321 PolarHBondContact O-OG 3.07Å; S321-L323 PolarHBondContact O-N 3.2Å; S321-G324 PolarHBondContact O-N 3.43Å; S321-G324 VanDerWaalsContact O-N 3.09Å; S321-Q325 WeakPolarHBondContact CA-O 3.43Å; S321-Q325 PolarHBondContact OG-O 2.86Å
322S98.3Very high91.3Very high1 Ų145.3 Ų45.31%0.00726%0.263CS..Hα-helixtrans-63.4-21.6173-58.50000112.3A280 H284 L289 V318 I319A280-S322 WeakPolarHBondContact CB-OG 2.99Å; H284-S322 WeakPolarHBondContact CB-O 3.46Å; L289-S322 VanDerWaalsContact CD2-O 3.23Å; L289-S322 WeakPolarHBondContact CD2-O 3.34Å; V318-S322 WeakPolarHBondContact O-CB 3.43Å; V318-S322 PolarHBondContact O-N 3.12Å; V318-S322 PolarHBondContact O-OG 3.48Å; I319-S322 WeakPolarHBondContact O-CB 3.26Å; I319-S322 PolarHBondContact O-N 3.02Å
323L96.8Very high88.8Confident5 Ų550.5 Ų50.53%0.02630%0.299CS..THydrogen-bonded Turntrans-106.210.7178-67.6171.1000113V27 L59 Y64 T112 V114 L289 I319 A320 S321V27-L323 HydrophobicContact CG1-CD1 4.45Å; V27-L323 HydrophobicContact CG2-CD1 3.93Å; V27-L323 HydrophobicContact CG2-CD2 4.17Å; L59-L323 HydrophobicContact CD1-CD1 3.97Å; L59-L323 HydrophobicContact CD2-CB 4.25Å; L59-L323 HydrophobicContact CD2-CD1 3.56Å; L59-L323 HydrophobicContact CG-CD1 4.4Å; Y64-L323 HydrophobicContact CE1-CD2 4.11Å; Y64-L323 HydrophobicContact CE2-CB 3.89Å; Y64-L323 WeakPolarHBondContact CE2-O 3.31Å; Y64-L323 VanDerWaalsContact CZ-O 3.28Å; Y64-L323 PolarHBondContact OH-O 2.93Å; T112-L323 HydrophobicContact CG2-CD2 3.99Å; V114-L323 HydrophobicContact CG2-CD1 4Å; L289-L323 HydrophobicContact CD2-CD2 4.25Å; I319-L323 HydrophobicContact CG2-CD1 4.1Å; I319-L323 PolarHBondContact O-N 3.29Å; I319-L323 VanDerWaalsContact O-N 3.16Å; A320-L323 CarbonylContact O-C 3.58Å; A320-L323 VanDerWaalsContact O-C 3.3Å; A320-L323 WeakPolarHBondContact O-CA 3.38Å; A320-L323 PolarHBondContact O-N 3.46Å; A320-L323 VanDerWaalsContact O-N 3.1Å; S321-L323 PolarHBondContact O-N 3.2Å
324G94.9Very high86.5Confident18 Ų1855 Ų5519%0.18632%0.318CS..THydrogen-bonded Turntrans108.18.4166.600000116.2H284 A320 S321 T326H284-G324 VanDerWaalsContact CD2-CA 3.49Å; H284-G324 WeakPolarHBondContact CD2-CA 3.33Å; H284-G324 WeakPolarHBondContact CE1-CA 3.46Å; H284-G324 WeakPolarHBondContact ND1-CA 3.48Å; H284-G324 PolarHBondContact ND1-N 2.9Å; H284-G324 WeakPolarHBondContact NE2-CA 3.44Å; A320-G324 PolarHBondContact O-N 3.35Å; S321-G324 PolarHBondContact O-N 3.43Å; S321-G324 VanDerWaalsContact O-N 3.09Å; G324-T326 WeakPolarHBondContact O-CG2 3.38Å; G324-T326 PolarHBondContact O-N 2.87Å
325Q95.4Very high84.1Confident45 Ų4560.2 Ų60.221%0.2135%0.352CS..  trans-64.8120.1164-173.7175.3-6.500110L62 A320 S321L62-Q325 HydrophobicContact CD1-CB 4.1Å; L62-Q325 HydrophobicContact CD2-CB 4.03Å; A320-Q325 HydrophobicContact CB-CB 4.09Å; A320-Q325 WeakPolarHBondContact O-CB 3.5Å; A320-Q325 PolarHBondContact O-N 3.15Å; S321-Q325 WeakPolarHBondContact CA-O 3.43Å; S321-Q325 PolarHBondContact OG-O 2.86Å
326T94.8Very high81.5Confident58 Ų5866.3 Ų66.336%0.35639%0.389SS..  trans-103.2154.8-179.469.80000111.8G324 G329G324-T326 WeakPolarHBondContact O-CG2 3.38Å; G324-T326 PolarHBondContact O-N 2.87Å; T326-G329 PolarHBondContact OG1-N 2.67Å; T326-G329 PolarHBondContact OG1-O 3.47Å
327R96.4Very high78.9Confident131 Ų13174.9 Ų74.949%0.49443%0.429SS..SBendtrans-79.6-20.6174.4-69.3173.4-67168.86.6114.4I277 E281I277-R327 HydrophobicContact CG2-CG 4.11Å; E281-R327 VanDerWaalsContact CD-NE 3.35Å; E281-R327 VanDerWaalsContact OE1-CG 3.32Å; E281-R327 WeakPolarHBondContact OE1-CG 3.21Å; E281-R327 IonicContact OE1-CZ 2.63Å; E281-R327 PolarHBondContact OE1-N 3.26Å; E281-R327 IonicContact OE1-NE 3.43Å; E281-R327 PolarHBondContact OE1-NE 2.95Å; E281-R327 IonicContact OE1-NH2 3.46Å; E281-R327 IonicContact OE2-CZ 2.68Å; E281-R327 VanDerWaalsContact OE2-CZ 3.22Å; E281-R327 IonicContact OE2-NE 3.84Å; E281-R327 PolarHBondContact OE2-NE 2.93Å; E281-R327 VanDerWaalsContact OE2-NE 3.17Å; E281-R327 IonicContact OE2-NH2 2.85Å; E281-R327 PolarHBondContact OE2-NH2 3.1Å
328E93.8Very high76.5Confident190 Ų19082.5 Ų82.589%0.88846%0.461SS*.SBendtrans-93.9-0.8178.963.6-179.8-149.800114
329G84.6Confident73.9Confident46 Ų4687 Ų8747%0.47449%0.492SS..  trans94.7159.1-177.500000113T326T326-G329 PolarHBondContact OG1-N 2.67Å; T326-G329 PolarHBondContact OG1-O 3.47Å
330A67.8Low71.5Confident85 Ų8594.5 Ų94.570%0.70253%0.532SS*.  trans-92.4138.5176.100000110.3A332A330-A332 PolarHBondContact O-N 2.85Å
331H53.5Low69.2Low193 Ų19399.9 Ų99.989%0.89457%0.565SS**  trans-7280.3158.6-66.2-45.9000107.8S333H331-S333 PolarHBondContact O-N 2.85Å; H331-S333 VanDerWaalsContact O-N 3.12Å
332A53.7Low66.8Low76 Ų76108.7 Ų108.763%0.62861%0.606SS**  trans-51.8125.115900000105.9A330 I334A330-A332 PolarHBondContact O-N 2.85Å; A332-I334 PolarHBondContact O-N 3.18Å
333S47.1Very low64.4Low112 Ų112117.6 Ų117.678%0.78365%0.647SS**  trans-59.196.7173.543.50000106.9H331 P335H331-S333 PolarHBondContact O-N 2.85Å; H331-S333 VanDerWaalsContact O-N 3.12Å; S333-P335 VanDerWaalsContact O-CD 3.27Å; S333-P335 WeakPolarHBondContact O-CD 3.49Å; S333-P335 VanDerWaalsContact O-N 3.07Å
334I49.6Very low61.9Low148 Ų148125.8 Ų125.876%0.75969%0.69SS**  trans-55.2119.2174.3-61.6173.7000104.3A332 T336A332-I334 PolarHBondContact O-N 3.18Å; I334-T336 PolarHBondContact O-N 2.96Å
335P49.3Very low59.4Low117 Ų117130.8 Ų130.876%0.7672%0.721SS**  trans-57108.4175.1-18.929.7000106.4S333 E337S333-P335 VanDerWaalsContact O-CD 3.27Å; S333-P335 WeakPolarHBondContact O-CD 3.49Å; S333-P335 VanDerWaalsContact O-N 3.07Å; P335-E337 PolarHBondContact O-N 2.65Å
336T43.1Very low56.7Low127 Ų127140.8 Ų140.878%0.77978%0.775SS**  trans-62.8110.2167.543.80000105.2I334 K338I334-T336 PolarHBondContact O-N 2.96Å; T336-K338 PolarHBondContact O-N 3.37Å
337E45.4Very low54.8Low185 Ų185145 Ų14586%0.86480%0.796SS**  trans-48117.2165.5-75.3-175.3163.200106.6P335 S339P335-E337 PolarHBondContact O-N 2.65Å; E337-S339 VanDerWaalsContact C-N 3.32Å; E337-S339 PolarHBondContact O-N 3.39Å
338K47Very low52.6Low190 Ų190145.7 Ų145.783%0.82681%0.812SS**  trans-61.5105.8165.6-76.2-178.5176-178.90104.9T336 D340T336-K338 PolarHBondContact O-N 3.37Å; K338-D340 PolarHBondContact O-N 3.24Å
339S45.1Very low50.3Low94 Ų94143.2 Ų143.266%0.65781%0.807SS**  trans-65.7104168.467.60000106.6E337 T341E337-S339 VanDerWaalsContact C-N 3.32Å; E337-S339 PolarHBondContact O-N 3.39Å; S339-T341 PolarHBondContact O-N 3.28Å; S339-T341 PolarHBondContact O-OG1 3.3Å; S339-T341 PolarHBondContact OG-OG1 3.4Å
340D48.7Very low48.3Very low157 Ų157148.9 Ų148.984%0.8483%0.827SS**  trans-65.476.1163.5-74.9-25.8000108.1K338K338-D340 PolarHBondContact O-N 3.24Å
341T50Low47Very low114 Ų114152.9 Ų152.970%0.69984%0.835SS**  trans-117.456.1168.735.50000109.1S339S339-T341 PolarHBondContact O-N 3.28Å; S339-T341 PolarHBondContact O-OG1 3.3Å; S339-T341 PolarHBondContact OG-OG1 3.4Å
342E48.5Very low46.6Very low191 Ų191150.3 Ų150.389%0.89383%0.831SS**  trans-138.665.7158.1-82.2-166.5158.600109.3
343Q47.4Very low46.1Very low188 Ų188155.6 Ų155.688%0.87985%0.845SS**SBendtrans-155.775.3155.8-113.7178.721.700108.8
344L44.2Very low46Very low176 Ų176158.9 Ų158.992%0.92185%0.85SS**  trans-179.173.7154.7-97.9157.7000108.2
345C41.6Very low45.7Very low124 Ų124159.8 Ų159.884%0.83886%0.858SS**  trans-162.3114.9148.4-1000000110
346L38.4Very low45.4Very low255 Ų255163.7 Ų163.7100%1.33587%0.866SS**  trans850170.1-60.3168.2000117.4

Retrieved 346 of 346 residues in 257.6 ms (Link to these results)

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