A0A023VRR5_LARCR Loading...

Macrophage receptor MARCO

AlphaFold DB , UniProt , Accession A0A023VRR5, Species LARCR (Larimichthys crocea, Large yellow croaker), Gene n/a, Length 405 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.5Very low41.8Very low172 Ų172122.5 Ų122.585%0.84762%0.624SS**  0114.20-104.4174.717400105.8
2E37.8Very low41.5Very low157 Ų157117.1 Ų117.173%0.73460%0.6SS**EExtended strand (participates in β ladder)trans-95.2121.2172.1-75.2-174163.200108.3
3T41.3Very low41.5Very low91 Ų91111 Ų11156%0.55858%0.575SS**EExtended strand (participates in β ladder)trans-102.4113.2176.725.10000108.5Y14T3-Y14 HydrophobicContact CG2-CD1 3.57Å; T3-Y14 HydrophobicContact CG2-CE1 3.42Å; T3-Y14 VanDerWaalsContact CG2-CE1 3.42Å
4S41.5Very low41.1Very low76 Ų76112.5 Ų112.553%0.53157%0.571SS.*EExtended strand (participates in β ladder)trans-105.4121.5170.8177.20000109.1S13S4-S13 PolarHBondContact N-O 3.5Å; S4-S13 PolarHBondContact O-N 3.43Å
5V44.4Very low40.9Very low84 Ų84110.2 Ų110.251%0.50956%0.564SS.*EExtended strand (participates in β ladder)trans-108.6101178.2-178.40000107.7R7 V12V5-R7 HydrophobicContact CG1-CG 4.02Å; V5-R7 PolarHBondContact O-N 3.49Å; V5-V12 HydrophobicContact CG2-CG1 4.49Å
6D43.8Very low40.9Very low63 Ų63110.5 Ų110.534%0.33756%0.563SS.*EExtended strand (participates in β ladder)trans-79.3102.6169.1-178.90.7000108.7T8 N9 N10 R11D6-T8 PolarHBondContact O-N 3.26Å; D6-T8 PolarHBondContact OD1-N 3.17Å; D6-T8 PolarHBondContact OD1-OG1 3.48Å; D6-N9 PolarHBondContact OD2-ND2 3.47Å; D6-N10 PolarHBondContact O-N 3.41Å; D6-R11 PolarHBondContact N-O 3.45Å; D6-R11 PolarHBondContact O-N 3.26Å
7R45.2Very low40.9Very low224 Ų224111.7 Ų111.785%0.84558%0.583SS**THydrogen-bonded Turntrans-73.7-11.9-178.4-69.5-175176.4-176.4-0.7113.6V5V5-R7 HydrophobicContact CG1-CG 4.02Å; V5-R7 PolarHBondContact O-N 3.49Å
8T44Very low40.6Very low120 Ų120111.8 Ų111.874%0.73659%0.585SS**THydrogen-bonded Turntrans-84.9-28.2179.254.70000113D6D6-T8 PolarHBondContact O-N 3.26Å; D6-T8 PolarHBondContact OD1-N 3.17Å; D6-T8 PolarHBondContact OD1-OG1 3.48Å
9N40.6Very low40.5Very low120 Ų120112.8 Ų112.864%0.64260%0.599SS**THydrogen-bonded Turntrans-113.57.7179.5-71.3-44.7000114.5D6 R11D6-N9 PolarHBondContact OD2-ND2 3.47Å; N9-R11 PolarHBondContact O-N 3.48Å; N9-R11 VanDerWaalsContact O-N 3.15Å
10N41.6Very low40.3Very low133 Ų133114.8 Ų114.871%0.71161%0.609SS**THydrogen-bonded Turntrans51.937.5179.3-141.419000112.9D6D6-N10 PolarHBondContact O-N 3.41Å
11R35.4Very low40.2Very low108 Ų108117.6 Ų117.641%0.40862%0.616SS.*EExtended strand (participates in β ladder)trans-112.2126-176.8-149.8179.9-155.2-103.7-1.9108.4D6 N9 S24D6-R11 PolarHBondContact N-O 3.45Å; D6-R11 PolarHBondContact O-N 3.26Å; N9-R11 PolarHBondContact O-N 3.48Å; N9-R11 VanDerWaalsContact O-N 3.15Å; R11-S24 PolarHBondContact NH1-OG 3.49Å; R11-S24 PolarHBondContact NH2-OG 3.4Å
12V39Very low39.6Very low57 Ų57115.9 Ų115.935%0.34561%0.61SS.*EExtended strand (participates in β ladder)trans-103.7119173.3-174.90000107.3V5 Y14V5-V12 HydrophobicContact CG2-CG1 4.49Å; V12-Y14 HydrophobicContact CB-CE2 4.22Å; V12-Y14 HydrophobicContact CG1-CD2 4.18Å; V12-Y14 HydrophobicContact CG1-CE1 4.36Å; V12-Y14 HydrophobicContact CG1-CE2 3.45Å; V12-Y14 VanDerWaalsContact CG1-CE2 3.45Å
13S40.8Very low39.6Very low38 Ų38114.6 Ų114.627%0.26661%0.606SS.*EExtended strand (participates in β ladder)trans-110.4129-178.5-48.50000108.8S4S4-S13 PolarHBondContact N-O 3.5Å; S4-S13 PolarHBondContact O-N 3.43Å
14Y36.3Very low39.3Very low132 Ų132112.6 Ų112.652%0.51860%0.596SS.*EExtended strand (participates in β ladder)trans-112.7106.3178.2-65-87.8000108.2T3 V12T3-Y14 HydrophobicContact CG2-CD1 3.57Å; T3-Y14 HydrophobicContact CG2-CE1 3.42Å; T3-Y14 VanDerWaalsContact CG2-CE1 3.42Å; V12-Y14 HydrophobicContact CB-CE2 4.22Å; V12-Y14 HydrophobicContact CG1-CD2 4.18Å; V12-Y14 HydrophobicContact CG1-CE1 4.36Å; V12-Y14 HydrophobicContact CG1-CE2 3.45Å; V12-Y14 VanDerWaalsContact CG1-CE2 3.45Å
15T38.1Very low39.1Very low78 Ų78113.8 Ų113.848%0.47960%0.596SS.*EExtended strand (participates in β ladder)trans-101.9108.6172.941.40000108.6
16Q41.7Very low38.8Very low115 Ų115111.2 Ų111.254%0.53758%0.581SS.*  trans-102.4123.4164.9-167.916316.700106.8N18Q16-N18 PolarHBondContact O-N 3.41Å
17S40.4Very low38.3Very low131 Ų131117.8 Ų117.892%0.91660%0.601SS**SBendtrans-69.871179.352.20000110.8
18N35.5Very low37.9Very low114 Ų114111.8 Ų111.861%0.6159%0.59SS**  trans-148.6114.2174-135.2-14.4000107.4Q16 L20Q16-N18 PolarHBondContact O-N 3.41Å; N18-L20 PolarHBondContact O-N 3.44Å
19P39.2Very low37.8Very low131 Ų131109.8 Ų109.885%0.85157%0.574SS**THydrogen-bonded Turntrans-74.418.7-160.229.4-35.3000115.6
20L36Very low37.6Very low151 Ų151110.3 Ų110.379%0.79158%0.576SS**THydrogen-bonded Turntrans-115.7-7.2-178.7-77.8169.5000114.8N18N18-L20 PolarHBondContact O-N 3.44Å
21F38.2Very low37.3Very low175 Ų175113.7 Ų113.777%0.76858%0.581SS**  trans-144.490.7177.3-74.8-83.1000110.2
22D30.9Very low37.3Very low136 Ų136115.1 Ų115.173%0.72760%0.597SS**  trans-108.4111.5159.4-162.83.4000107.1
23M36.8Very low37.1Very low130 Ų130119.1 Ų119.164%0.6461%0.61SS**  trans-135.2100.2-178.1-155.7175.26800109.1L25M23-L25 HydrophobicContact CE-CD1 3.57Å; M23-L25 HydrophobicContact CE-CG 4.4Å; M23-L25 HydrophobicContact CG-CG 4.46Å; M23-L25 HydrophobicContact SD-CD1 4.43Å
24S36.4Very low37Very low49 Ų49124 Ų12434%0.34363%0.628SS.*  trans-93.9113.1171.186.50000108.9R11R11-S24 PolarHBondContact NH1-OG 3.49Å; R11-S24 PolarHBondContact NH2-OG 3.4Å
25L37.6Very low37.2Very low101 Ų101123.2 Ų123.253%0.52964%0.639SS.*  trans-106.3124.9175.3-79.3163.6000109.7M23 D29M23-L25 HydrophobicContact CE-CD1 3.57Å; M23-L25 HydrophobicContact CE-CG 4.4Å; M23-L25 HydrophobicContact CG-CG 4.46Å; M23-L25 HydrophobicContact SD-CD1 4.43Å; L25-D29 HydrophobicContact CD2-CB 4.15Å
26S36.3Very low37.1Very low30 Ų30125.7 Ų125.721%0.2165%0.649CS.*  trans-91.4158.4171.281.60000110.7T28 D29S26-T28 PolarHBondContact O-N 3.41Å; S26-T28 VanDerWaalsContact O-N 3.1Å; S26-D29 WeakPolarHBondContact CA-OD2 3.41Å; S26-D29 WeakPolarHBondContact CB-OD2 3.49Å; S26-D29 PolarHBondContact N-OD2 3.13Å; S26-D29 PolarHBondContact O-N 3.48Å; S26-D29 VanDerWaalsContact O-N 3.08Å; S26-D29 VanDerWaalsContact OG-CG 3.31Å; S26-D29 PolarHBondContact OG-OD2 3.36Å
27R35.2Very low36.8Very low200 Ų200127 Ų12776%0.75566%0.66SS**THydrogen-bonded Turntrans-62.9-18.4-178.4-159.4172.5-178.8148.4-1113.2
28T36.4Very low36.8Very low98 Ų98126.3 Ų126.360%0.60165%0.645SS**THydrogen-bonded Turntrans-81.2-27.5177.8-28.20000112.1S26 L30 Y31S26-T28 PolarHBondContact O-N 3.41Å; S26-T28 VanDerWaalsContact O-N 3.1Å; T28-L30 VanDerWaalsContact C-N 3.27Å; T28-L30 PolarHBondContact O-N 3.37Å; T28-Y31 PolarHBondContact O-N 3.37Å
29D40.4Very low36.9Very low78 Ų78130.6 Ų130.642%0.41766%0.659SS.*THydrogen-bonded Turntrans-71.9-22.3-180-55.9-45.2000112.4L25 S26 Y31L25-D29 HydrophobicContact CD2-CB 4.15Å; S26-D29 WeakPolarHBondContact CA-OD2 3.41Å; S26-D29 WeakPolarHBondContact CB-OD2 3.49Å; S26-D29 PolarHBondContact N-OD2 3.13Å; S26-D29 PolarHBondContact O-N 3.48Å; S26-D29 VanDerWaalsContact O-N 3.08Å; S26-D29 VanDerWaalsContact OG-CG 3.31Å; S26-D29 PolarHBondContact OG-OD2 3.36Å; D29-Y31 VanDerWaalsContact C-N 3.35Å
30L38Very low36.7Very low131 Ų131129.1 Ų129.169%0.68665%0.649SS**THydrogen-bonded Turntrans-74.4-20.4176.2-90153.9000113.9T28T28-L30 VanDerWaalsContact C-N 3.27Å; T28-L30 PolarHBondContact O-N 3.37Å
31Y35.6Very low36.5Very low205 Ų205126.6 Ų126.680%0.80465%0.65SS**THydrogen-bonded Turntrans-100.9-13.6-176.5-95.3-81000114.4T28 D29T28-Y31 PolarHBondContact O-N 3.37Å; D29-Y31 VanDerWaalsContact C-N 3.35Å
32N34.6Very low36.3Very low138 Ų138129.3 Ų129.374%0.73866%0.655SS**  trans-116.335.7178.8-76.6-22.4000112.6Q34N32-Q34 PolarHBondContact O-N 3.05Å
33F35Very low36.6Very low141 Ų141129 Ų12962%0.61866%0.661SS**  trans-72.299.2176.6-144.6-90.8000109.8L38F33-L38 HydrophobicContact CE1-CD1 3.97Å; F33-L38 HydrophobicContact CE1-CG 4.22Å; F33-L38 HydrophobicContact CZ-CD1 4.46Å
34Q37.7Very low36.9Very low141 Ų141132.7 Ų132.766%0.65967%0.668SS**  trans-76141.1169-87.2-176.7-45.800110N32 D36N32-Q34 PolarHBondContact O-N 3.05Å; Q34-D36 PolarHBondContact O-N 3.28Å; Q34-D36 VanDerWaalsContact O-N 3.08Å
35P40.6Very low37.7Very low114 Ų114140.6 Ų140.674%0.7469%0.69SS**THydrogen-bonded Turntrans-72.70.4-170.8-14.830.3000115.7
36D36.8Very low38.1Very low130 Ų130142.1 Ų142.170%0.69569%0.694SS**THydrogen-bonded Turntrans-91-11.2-168.5-69.7-39.5000114.5Q34Q34-D36 PolarHBondContact O-N 3.28Å; Q34-D36 VanDerWaalsContact O-N 3.08Å
37D35.3Very low38.5Very low144 Ų144149.4 Ų149.477%0.7772%0.717SS**SBendtrans-92.4-2-176.3-67.7-35000114.5K39D37-K39 PolarHBondContact O-N 3.47Å
38L39.8Very low39.3Very low115 Ų115140.9 Ų140.960%0.60269%0.688SS**  trans-98.579.2168.1-70.5172.6000109.9F33 P40F33-L38 HydrophobicContact CE1-CD1 3.97Å; F33-L38 HydrophobicContact CE1-CG 4.22Å; F33-L38 HydrophobicContact CZ-CD1 4.46Å; L38-P40 WeakPolarHBondContact O-CD 3.35Å
39K38.1Very low40.1Very low205 Ų205140 Ų14089%0.89168%0.679SS**  trans-85.995.6155.1-80.3-176.4-178173.30110.2D37D37-K39 PolarHBondContact O-N 3.47Å
40P34.1Very low40.7Very low100 Ų100139.9 Ų139.965%0.64968%0.678SS**  trans-115.2148.9136.131.4-20.5000109.7L38 R42L38-P40 WeakPolarHBondContact O-CD 3.35Å; P40-R42 PolarHBondContact O-N 2.99Å
41A33.4Very low41.4Very low98 Ų98135.9 Ų135.981%0.8166%0.66SS**SBendtrans-53.1122.6-175.600000113
42R33.6Very low42.3Very low232 Ų232129.9 Ų129.988%0.87564%0.641SS**SBendtrans78.9129.6167.4-50.1-173.4-166.3-156.43.7116.8P40 R44P40-R42 PolarHBondContact O-N 2.99Å; R42-R44 PolarHBondContact O-N 3.38Å
43P37.1Very low43.4Very low130 Ų130127.4 Ų127.484%0.84463%0.626SS**PPolyproline II helixtrans-78.8118.8-177.431.8-31.3000111
44R42.8Very low44.3Very low207 Ų207124.9 Ų124.978%0.78162%0.622SS**PPolyproline II helixtrans-89.2126.5151.8-78.5-172.8174.8-173.9-1.4107.2R42R42-R44 PolarHBondContact O-N 3.38Å
45R52.6Low45.2Very low215 Ų215120.2 Ų120.281%0.81160%0.599SS**PPolyproline II helixtrans-52.9147.8-169.8-66.9-178.1176.1-143.1-0.6112.6W47 C48R45-W47 PolarHBondContact O-N 3.46Å; R45-C48 PolarHBondContact O-N 3.09Å
46Q46.8Very low45.8Very low133 Ų133119.3 Ų119.362%0.62159%0.587SS**Hα-helixtrans-40.9-32.7-176.4-162.469.11800115.5L49 N50Q46-L49 PolarHBondContact O-N 3.38Å; Q46-N50 VanDerWaalsContact O-CG 3.29Å; Q46-N50 PolarHBondContact O-N 3.42Å; Q46-N50 PolarHBondContact O-ND2 3.22Å
47W45.4Very low46.8Very low183 Ų183117.5 Ų117.569%0.69358%0.581SS**Hα-helixtrans-69.9-44.2-179.2-115.378.4000113.7R45 L49 N50 V51R45-W47 PolarHBondContact O-N 3.46Å; W47-L49 VanDerWaalsContact C-N 3.26Å; W47-L49 PolarHBondContact O-N 3.48Å; W47-N50 PolarHBondContact O-N 3.32Å; W47-V51 HydrophobicContact CE3-CG2 4.26Å; W47-V51 WeakPolarHBondContact O-CG2 3.49Å; W47-V51 PolarHBondContact O-N 3.25Å
48C50.4Low47.7Very low20 Ų20115.6 Ų115.614%0.13557%0.57CS.*Hα-helixtrans-67.5-30.3175.1-81.70000111.2R45 V51 I52 C131R45-C48 PolarHBondContact O-N 3.09Å; C48-V51 PolarHBondContact O-N 3.42Å; C48-I52 WeakPolarHBondContact O-CB 3.26Å; C48-I52 WeakPolarHBondContact O-CD1 3.37Å; C48-I52 WeakPolarHBondContact O-CG1 3.24Å; C48-I52 PolarHBondContact O-N 2.94Å; C48-C131 WeakPolarHBondContact CB-SG 3.37Å; C48-C131 WeakPolarHBondContact SG-CB 3.46Å; C48-C131 CovalentContact SG-SG 2.08Å; C48-C131 PolarHBondContact SG-SG 3.28Å
49L54.4Low48.5Very low80 Ų80112.6 Ų112.642%0.41955%0.553SS.*Hα-helixtrans-64.1-45.9173.2-161.482.9000111Q46 W47 V51 I52 I53Q46-L49 PolarHBondContact O-N 3.38Å; W47-L49 VanDerWaalsContact C-N 3.26Å; W47-L49 PolarHBondContact O-N 3.48Å; L49-V51 PolarHBondContact O-N 3.39Å; L49-I52 PolarHBondContact O-N 3.01Å; L49-I53 HydrophobicContact CD2-CD1 4.34Å; L49-I53 HydrophobicContact CG-CD1 4.13Å; L49-I53 WeakPolarHBondContact O-CB 3.34Å; L49-I53 WeakPolarHBondContact O-CD1 3.33Å; L49-I53 WeakPolarHBondContact O-CG1 3.24Å; L49-I53 PolarHBondContact O-N 3.08Å
50N52.6Low49.4Very low75 Ų75107 Ų10740%0.40154%0.536SS..Hα-helixtrans-63.1-39.2176.5-70.1-20.7000112.5Q46 W47 I53 V54Q46-N50 VanDerWaalsContact O-CG 3.29Å; Q46-N50 PolarHBondContact O-N 3.42Å; Q46-N50 PolarHBondContact O-ND2 3.22Å; W47-N50 PolarHBondContact O-N 3.32Å; N50-I53 PolarHBondContact O-N 3.4Å; N50-V54 WeakPolarHBondContact O-CG2 3.35Å; N50-V54 PolarHBondContact O-N 2.89Å
51V52.8Low50.6Low48 Ų48104.1 Ų104.129%0.29153%0.525SS..Hα-helixtrans-66.7-41.5176.7173.50000111.5W47 C48 L49 I53 V54 Y55 V127W47-V51 HydrophobicContact CE3-CG2 4.26Å; W47-V51 WeakPolarHBondContact O-CG2 3.49Å; W47-V51 PolarHBondContact O-N 3.25Å; C48-V51 PolarHBondContact O-N 3.42Å; L49-V51 PolarHBondContact O-N 3.39Å; V51-I53 VanDerWaalsContact C-N 3.34Å; V51-V54 PolarHBondContact O-N 3.39Å; V51-Y55 WeakPolarHBondContact O-CB 3.36Å; V51-Y55 PolarHBondContact O-N 3.07Å; V51-V127 HydrophobicContact CG1-CG1 3.76Å; V51-V127 HydrophobicContact CG1-CG2 4.3Å
52I54.6Low51.7Low79 Ų79101.6 Ų101.641%0.40550%0.497SS..Hα-helixtrans-63.1-41.9173.9-69.9165.7000110.5C48 L49 Y55 L56C48-I52 WeakPolarHBondContact O-CB 3.26Å; C48-I52 WeakPolarHBondContact O-CD1 3.37Å; C48-I52 WeakPolarHBondContact O-CG1 3.24Å; C48-I52 PolarHBondContact O-N 2.94Å; L49-I52 PolarHBondContact O-N 3.01Å; I52-Y55 PolarHBondContact O-N 3.42Å; I52-L56 HydrophobicContact CG2-CD1 3.89Å; I52-L56 HydrophobicContact CG2-CG 4.34Å; I52-L56 WeakPolarHBondContact O-CB 3.31Å; I52-L56 VanDerWaalsContact O-CG 3.27Å; I52-L56 WeakPolarHBondContact O-CG 3.28Å; I52-L56 PolarHBondContact O-N 2.94Å
53I56.4Low52.6Low85 Ų8594.1 Ų94.144%0.43648%0.475SS..Hα-helixtrans-62.1-46.3177-70.1163.5000110.8L49 N50 V51 Y55 L56 V57L49-I53 HydrophobicContact CD2-CD1 4.34Å; L49-I53 HydrophobicContact CG-CD1 4.13Å; L49-I53 WeakPolarHBondContact O-CB 3.34Å; L49-I53 WeakPolarHBondContact O-CD1 3.33Å; L49-I53 WeakPolarHBondContact O-CG1 3.24Å; L49-I53 PolarHBondContact O-N 3.08Å; N50-I53 PolarHBondContact O-N 3.4Å; V51-I53 VanDerWaalsContact C-N 3.34Å; I53-Y55 VanDerWaalsContact C-N 3.33Å; I53-Y55 PolarHBondContact O-N 3.17Å; I53-L56 PolarHBondContact O-N 3.49Å; I53-V57 HydrophobicContact CG2-CG2 4.44Å; I53-V57 VanDerWaalsContact O-CG2 3.27Å; I53-V57 WeakPolarHBondContact O-CG2 3.47Å; I53-V57 PolarHBondContact O-N 2.93Å
54V55.8Low53.5Low88 Ų8890.7 Ų90.753%0.53346%0.457SS..Hα-helixtrans-61.6-41.9176.5171.80000111.3N50 V51 V57 L58N50-V54 WeakPolarHBondContact O-CG2 3.35Å; N50-V54 PolarHBondContact O-N 2.89Å; V51-V54 PolarHBondContact O-N 3.39Å; V54-V57 PolarHBondContact O-N 2.68Å; V54-L58 HydrophobicContact CG1-CD1 3.96Å; V54-L58 HydrophobicContact CG1-CG 4.44Å; V54-L58 WeakPolarHBondContact O-CB 3.41Å; V54-L58 VanDerWaalsContact O-CG 3.29Å; V54-L58 WeakPolarHBondContact O-CG 3.48Å; V54-L58 PolarHBondContact O-N 3.29Å
55Y55.5Low54.1Low43 Ų4386.1 Ų86.117%0.16944%0.443CS..Hα-helixtrans-60.9-45.2175.6177-95.4000112.3V51 I52 I53 L58 Q59 L120 D124V51-Y55 WeakPolarHBondContact O-CB 3.36Å; V51-Y55 PolarHBondContact O-N 3.07Å; I52-Y55 PolarHBondContact O-N 3.42Å; I53-Y55 VanDerWaalsContact C-N 3.33Å; I53-Y55 PolarHBondContact O-N 3.17Å; Y55-L58 PolarHBondContact O-N 3.07Å; Y55-Q59 WeakPolarHBondContact O-CB 3.06Å; Y55-Q59 PolarHBondContact O-N 2.91Å; Y55-L120 HydrophobicContact CE2-CD1 4.34Å; Y55-L120 HydrophobicContact CE2-CG 4.22Å; Y55-D124 HydrophobicContact CE2-CB 4.21Å
56L53.3Low54Low96 Ų9678.1 Ų78.150%0.50342%0.416SS..Hα-helixtrans-66.8-36.2178.1-69172.3000112.4I52 I53 Q59 T60I52-L56 HydrophobicContact CG2-CD1 3.89Å; I52-L56 HydrophobicContact CG2-CG 4.34Å; I52-L56 WeakPolarHBondContact O-CB 3.31Å; I52-L56 VanDerWaalsContact O-CG 3.27Å; I52-L56 WeakPolarHBondContact O-CG 3.28Å; I52-L56 PolarHBondContact O-N 2.94Å; I53-L56 PolarHBondContact O-N 3.49Å; L56-Q59 PolarHBondContact O-N 3.24Å; L56-T60 WeakPolarHBondContact O-CG2 3.36Å; L56-T60 PolarHBondContact O-N 2.67Å; L56-T60 PolarHBondContact O-OG1 3.28Å
57V58.5Low54.3Low92 Ų9276.5 Ų76.556%0.55841%0.411SS*.Hα-helixtrans-66.5-42.3174.31710000111.2I53 V54 Q59 T60 G61I53-V57 HydrophobicContact CG2-CG2 4.44Å; I53-V57 VanDerWaalsContact O-CG2 3.27Å; I53-V57 WeakPolarHBondContact O-CG2 3.47Å; I53-V57 PolarHBondContact O-N 2.93Å; V54-V57 PolarHBondContact O-N 2.68Å; V57-Q59 VanDerWaalsContact C-N 3.33Å; V57-Q59 PolarHBondContact O-N 3.38Å; V57-T60 WeakPolarHBondContact CA-OG1 3.3Å; V57-T60 PolarHBondContact O-OG1 3.1Å; V57-G61 PolarHBondContact O-N 3.08Å
58L53.6Low54.7Low104 Ų10475.1 Ų75.155%0.54541%0.407SS..Hα-helixtrans-64.5-39.3175.2-71.4170.1000111.6V54 Y55 G61 L62V54-L58 HydrophobicContact CG1-CD1 3.96Å; V54-L58 HydrophobicContact CG1-CG 4.44Å; V54-L58 WeakPolarHBondContact O-CB 3.41Å; V54-L58 VanDerWaalsContact O-CG 3.29Å; V54-L58 WeakPolarHBondContact O-CG 3.48Å; V54-L58 PolarHBondContact O-N 3.29Å; Y55-L58 PolarHBondContact O-N 3.07Å; L58-G61 PolarHBondContact O-N 2.92Å; L58-L62 WeakPolarHBondContact O-CB 3.33Å; L58-L62 PolarHBondContact O-N 3.49Å
59Q57.5Low54.7Low52 Ų5277.9 Ų77.924%0.24342%0.417CS..Hα-helixtrans-68.1-41.3179.3-175.665.1-16.800112.9Y55 L56 V57 L62 N63 L120Y55-Q59 WeakPolarHBondContact O-CB 3.06Å; Y55-Q59 PolarHBondContact O-N 2.91Å; L56-Q59 PolarHBondContact O-N 3.24Å; V57-Q59 VanDerWaalsContact C-N 3.33Å; V57-Q59 PolarHBondContact O-N 3.38Å; Q59-L62 PolarHBondContact O-N 3.22Å; Q59-N63 PolarHBondContact O-N 3.15Å; Q59-N63 PolarHBondContact O-ND2 3.42Å; Q59-L120 VanDerWaalsContact OE1-CD1 3.25Å
60T56.3Low54.5Low86 Ų8678.6 Ų78.653%0.52842%0.424SS..Hα-helixtrans-68.5-37.6174.948.40000111.7L56 V57 N63 A64L56-T60 WeakPolarHBondContact O-CG2 3.36Å; L56-T60 PolarHBondContact O-N 2.67Å; L56-T60 PolarHBondContact O-OG1 3.28Å; V57-T60 WeakPolarHBondContact CA-OG1 3.3Å; V57-T60 PolarHBondContact O-OG1 3.1Å; T60-N63 PolarHBondContact O-N 3.48Å; T60-A64 WeakPolarHBondContact O-CB 3.25Å; T60-A64 PolarHBondContact O-N 3.35Å
61G58.4Low54.3Low41 Ų4181.1 Ų81.142%0.42343%0.432SS..Hα-helixtrans-61.7-41.1171.600000113.3V57 L58 A64 F65V57-G61 PolarHBondContact O-N 3.08Å; L58-G61 PolarHBondContact O-N 2.92Å; G61-A64 PolarHBondContact O-N 2.93Å; G61-F65 WeakPolarHBondContact O-CB 3.45Å; G61-F65 PolarHBondContact O-N 3.37Å
62L56.6Low54.2Low44 Ų4481.2 Ų81.223%0.2343%0.432CS..Hα-helixtrans-65-43.2176.4-161.283.2000111.8L58 Q59 A64 F65 L66 L116L58-L62 WeakPolarHBondContact O-CB 3.33Å; L58-L62 PolarHBondContact O-N 3.49Å; Q59-L62 PolarHBondContact O-N 3.22Å; L62-A64 VanDerWaalsContact C-N 3.33Å; L62-A64 PolarHBondContact O-N 3.47Å; L62-F65 PolarHBondContact O-N 3.23Å; L62-L66 WeakPolarHBondContact O-CG 3.36Å; L62-L66 PolarHBondContact O-N 3.42Å; L62-L116 HydrophobicContact CD1-CD2 3.88Å
63N53.1Low53.8Low75 Ų7580.3 Ų80.340%0.40143%0.428SS..Hα-helixtrans-62.2-41.8175.5-72.4-28.4000111.5Q59 T60 L66 I67Q59-N63 PolarHBondContact O-N 3.15Å; Q59-N63 PolarHBondContact O-ND2 3.42Å; T60-N63 PolarHBondContact O-N 3.48Å; N63-L66 PolarHBondContact O-N 2.85Å; N63-I67 WeakPolarHBondContact O-CB 3.28Å; N63-I67 WeakPolarHBondContact O-CD1 3.4Å; N63-I67 WeakPolarHBondContact O-CG1 3.3Å; N63-I67 PolarHBondContact O-N 3.46Å
64A55.2Low53.1Low58 Ų5881.5 Ų81.548%0.47944%0.435SS..Hα-helixtrans-64-39.7175.300000112.4T60 G61 L62 I67 Y68T60-A64 WeakPolarHBondContact O-CB 3.25Å; T60-A64 PolarHBondContact O-N 3.35Å; G61-A64 PolarHBondContact O-N 2.93Å; L62-A64 VanDerWaalsContact C-N 3.33Å; L62-A64 PolarHBondContact O-N 3.47Å; A64-I67 PolarHBondContact O-N 2.79Å; A64-Y68 WeakPolarHBondContact O-CB 3.42Å; A64-Y68 PolarHBondContact O-N 3.16Å
65F55.7Low52.5Low111 Ų11180.5 Ų80.549%0.48743%0.432SS..Hα-helixtrans-65.5-42.7175.8178.5-99.7000112.6G61 L62 Y68 K69G61-F65 WeakPolarHBondContact O-CB 3.45Å; G61-F65 PolarHBondContact O-N 3.37Å; L62-F65 PolarHBondContact O-N 3.23Å; F65-Y68 PolarHBondContact O-N 3.19Å; F65-K69 HydrophobicContact CE1-CD 4.46Å; F65-K69 HydrophobicContact CE1-CG 4.28Å; F65-K69 HydrophobicContact CZ-CD 4.47Å; F65-K69 HydrophobicContact CZ-CG 4.21Å; F65-K69 PolarHBondContact O-N 3.14Å
66L51.2Low51.9Low47 Ų4781.2 Ų81.225%0.24644%0.444CS..Hα-helixtrans-63.9-42.8175.7-71.9172.8000111.4L62 N63 K69 V70 T113L62-L66 WeakPolarHBondContact O-CG 3.36Å; L62-L66 PolarHBondContact O-N 3.42Å; N63-L66 PolarHBondContact O-N 2.85Å; L66-K69 PolarHBondContact O-N 2.8Å; L66-V70 VanDerWaalsContact O-CG2 3.32Å; L66-V70 WeakPolarHBondContact O-CG2 3.48Å; L66-V70 PolarHBondContact O-N 3.24Å; L66-T113 HydrophobicContact CD1-CG2 4.28Å
67I53.3Low51.4Low99 Ų9980 Ų8051%0.50844%0.443SS..Hα-helixtrans-61.9-46.5174.8-68.1164.6000110.3N63 A64 K69 V70 F71N63-I67 WeakPolarHBondContact O-CB 3.28Å; N63-I67 WeakPolarHBondContact O-CD1 3.4Å; N63-I67 WeakPolarHBondContact O-CG1 3.3Å; N63-I67 PolarHBondContact O-N 3.46Å; A64-I67 PolarHBondContact O-N 2.79Å; I67-K69 VanDerWaalsContact C-N 3.34Å; I67-K69 PolarHBondContact O-N 3.49Å; I67-V70 PolarHBondContact O-N 2.85Å; I67-F71 HydrophobicContact CG2-CD2 3.74Å; I67-F71 HydrophobicContact CG2-CE2 3.91Å; I67-F71 WeakPolarHBondContact O-CD2 3.47Å; I67-F71 PolarHBondContact O-N 3.16Å
68Y53.9Low50.7Low155 Ų15580 Ų8061%0.60845%0.447SS*.Hα-helixtrans-60-40.7176.5177.4-98.3000112.6A64 F65 F71 T72A64-Y68 WeakPolarHBondContact O-CB 3.42Å; A64-Y68 PolarHBondContact O-N 3.16Å; F65-Y68 PolarHBondContact O-N 3.19Å; Y68-F71 PolarHBondContact O-N 3.18Å; Y68-T72 HydrophobicContact CD1-CG2 4.25Å; Y68-T72 HydrophobicContact CD2-CG2 4.34Å; Y68-T72 HydrophobicContact CE1-CG2 3.78Å; Y68-T72 HydrophobicContact CE2-CG2 3.88Å; Y68-T72 WeakPolarHBondContact O-CB 3.33Å; Y68-T72 WeakPolarHBondContact O-CG2 3.31Å; Y68-T72 PolarHBondContact O-N 3.19Å; Y68-T72 PolarHBondContact O-OG1 2.68Å
69K49.1Very low50.3Low78 Ų7880.1 Ų80.134%0.33945%0.452SS..Hα-helixtrans-64.6-42.8174.4-95.2-137.1-179.7178.90112.4F65 L66 I67 F71 T72 L73F65-K69 HydrophobicContact CE1-CD 4.46Å; F65-K69 HydrophobicContact CE1-CG 4.28Å; F65-K69 HydrophobicContact CZ-CD 4.47Å; F65-K69 HydrophobicContact CZ-CG 4.21Å; F65-K69 PolarHBondContact O-N 3.14Å; L66-K69 PolarHBondContact O-N 2.8Å; I67-K69 VanDerWaalsContact C-N 3.34Å; I67-K69 PolarHBondContact O-N 3.49Å; K69-F71 VanDerWaalsContact C-N 3.34Å; K69-F71 PolarHBondContact O-N 3.14Å; K69-T72 VanDerWaalsContact CA-OG1 3.3Å; K69-T72 WeakPolarHBondContact CA-OG1 3.24Å; K69-T72 PolarHBondContact O-N 3.44Å; K69-T72 PolarHBondContact O-OG1 3.04Å; K69-T72 VanDerWaalsContact O-OG1 3.06Å; K69-L73 WeakPolarHBondContact O-CB 3.4Å; K69-L73 VanDerWaalsContact O-CG 3.22Å; K69-L73 WeakPolarHBondContact O-CG 3.4Å; K69-L73 PolarHBondContact O-N 3.2Å
70V51.6Low49.6Very low95 Ų9586 Ų8658%0.57648%0.484SS*.Hα-helixtrans-61-44.4175.7171.10000110.7L66 I67 L73 D74L66-V70 VanDerWaalsContact O-CG2 3.32Å; L66-V70 WeakPolarHBondContact O-CG2 3.48Å; L66-V70 PolarHBondContact O-N 3.24Å; I67-V70 PolarHBondContact O-N 2.85Å; V70-L73 PolarHBondContact O-N 3.35Å; V70-D74 PolarHBondContact O-N 2.8Å
71F48.3Very low49Very low128 Ų12885 Ų8556%0.56149%0.491SS*.Hα-helixtrans-68.1-35.6177.7-91.7-80.1000114I67 Y68 K69 D74 S75I67-F71 HydrophobicContact CG2-CD2 3.74Å; I67-F71 HydrophobicContact CG2-CE2 3.91Å; I67-F71 WeakPolarHBondContact O-CD2 3.47Å; I67-F71 PolarHBondContact O-N 3.16Å; Y68-F71 PolarHBondContact O-N 3.18Å; K69-F71 VanDerWaalsContact C-N 3.34Å; K69-F71 PolarHBondContact O-N 3.14Å; F71-D74 PolarHBondContact O-N 2.67Å; F71-S75 WeakPolarHBondContact O-CB 3.39Å; F71-S75 PolarHBondContact O-N 3.48Å; F71-S75 PolarHBondContact O-OG 2.83Å
72T49.3Very low48.3Very low49 Ų4987.9 Ų87.930%0.30151%0.511SS..Hα-helixtrans-74.2-29.2176.845.50000112.5Y68 K69 S75 S76Y68-T72 HydrophobicContact CD1-CG2 4.25Å; Y68-T72 HydrophobicContact CD2-CG2 4.34Å; Y68-T72 HydrophobicContact CE1-CG2 3.78Å; Y68-T72 HydrophobicContact CE2-CG2 3.88Å; Y68-T72 WeakPolarHBondContact O-CB 3.33Å; Y68-T72 WeakPolarHBondContact O-CG2 3.31Å; Y68-T72 PolarHBondContact O-N 3.19Å; Y68-T72 PolarHBondContact O-OG1 2.68Å; K69-T72 VanDerWaalsContact CA-OG1 3.3Å; K69-T72 WeakPolarHBondContact CA-OG1 3.24Å; K69-T72 PolarHBondContact O-N 3.44Å; K69-T72 PolarHBondContact O-OG1 3.04Å; K69-T72 VanDerWaalsContact O-OG1 3.06Å; T72-S75 PolarHBondContact O-N 2.93Å; T72-S76 PolarHBondContact O-N 3.36Å; T72-S76 PolarHBondContact O-OG 2.77Å
73L47.4Very low47.3Very low60 Ų6095.2 Ų95.231%0.31454%0.544SS..Hα-helixtrans-68.7-40.4169.5-71175.2000112.3K69 V70 S75 S76 S77 L105 N109K69-L73 WeakPolarHBondContact O-CB 3.4Å; K69-L73 VanDerWaalsContact O-CG 3.22Å; K69-L73 WeakPolarHBondContact O-CG 3.4Å; K69-L73 PolarHBondContact O-N 3.2Å; V70-L73 PolarHBondContact O-N 3.35Å; L73-S75 VanDerWaalsContact C-N 3.32Å; L73-S75 PolarHBondContact O-N 2.8Å; L73-S76 WeakPolarHBondContact CA-OG 3.34Å; L73-S76 PolarHBondContact O-N 2.84Å; L73-S76 PolarHBondContact O-OG 3.18Å; L73-S77 PolarHBondContact O-N 2.68Å; L73-L105 HydrophobicContact CD1-CD2 3.62Å; L73-L105 HydrophobicContact CD2-CD2 3.25Å; L73-L105 HydrophobicContact CG-CD2 4.02Å; L73-N109 VanDerWaalsContact CD1-ND2 3.25Å; L73-N109 WeakPolarHBondContact CD1-ND2 3.36Å
74D42.4Very low46.5Very low110 Ų110101.2 Ų101.259%0.58857%0.567SS**Hα-helixtrans-64-40.4173.6-153.517.7000110.8V70 F71 S76 S77V70-D74 PolarHBondContact O-N 2.8Å; F71-D74 PolarHBondContact O-N 2.67Å; D74-S76 VanDerWaalsContact C-N 3.32Å; D74-S76 PolarHBondContact O-N 2.96Å; D74-S77 WeakPolarHBondContact O-CB 3.49Å; D74-S77 PolarHBondContact O-N 3.43Å; D74-S77 PolarHBondContact O-OG 3.2Å
75S42.7Very low45.4Very low68 Ų68107.6 Ų107.648%0.47659%0.587SS.*Hα-helixtrans-68.4-25176.3-55.20000114.3F71 T72 L73 S78F71-S75 WeakPolarHBondContact O-CB 3.39Å; F71-S75 PolarHBondContact O-N 3.48Å; F71-S75 PolarHBondContact O-OG 2.83Å; T72-S75 PolarHBondContact O-N 2.93Å; L73-S75 VanDerWaalsContact C-N 3.32Å; L73-S75 PolarHBondContact O-N 2.8Å; S75-S78 PolarHBondContact O-OG 2.89Å
76S41.8Very low44.4Very low58 Ų58108.8 Ų108.841%0.40660%0.603SS.*Hα-helixtrans-87.9-13.9176.8340000113.2T72 L73 D74 S78 T79T72-S76 PolarHBondContact O-N 3.36Å; T72-S76 PolarHBondContact O-OG 2.77Å; L73-S76 WeakPolarHBondContact CA-OG 3.34Å; L73-S76 PolarHBondContact O-N 2.84Å; L73-S76 PolarHBondContact O-OG 3.18Å; D74-S76 VanDerWaalsContact C-N 3.32Å; D74-S76 PolarHBondContact O-N 2.96Å; S76-S78 VanDerWaalsContact C-N 3.28Å; S76-T79 CarbonylContact O-C 3.56Å; S76-T79 PolarHBondContact O-N 3.2Å
77S43.2Very low43.6Very low69 Ų69112.1 Ų112.148%0.48363%0.631SS.*Hα-helixtrans-69.5-26.3165.380.40000112.5L73 D74L73-S77 PolarHBondContact O-N 2.68Å; D74-S77 WeakPolarHBondContact O-CB 3.49Å; D74-S77 PolarHBondContact O-N 3.43Å; D74-S77 PolarHBondContact O-OG 3.2Å
78S43.6Very low42.9Very low92 Ų92115.1 Ų115.164%0.64365%0.648SS**THydrogen-bonded Turntrans-82.1-5.5175.138.70000115.1S75 S76S75-S78 PolarHBondContact O-OG 2.89Å; S76-S78 VanDerWaalsContact C-N 3.28Å
79T44.8Very low41.9Very low107 Ų107116.6 Ų116.666%0.65666%0.66SS**  trans-138.467.3174.554.70000111S76 G81S76-T79 CarbonylContact O-C 3.56Å; S76-T79 PolarHBondContact O-N 3.2Å; T79-G81 PolarHBondContact O-N 2.74Å
80L43.5Very low41.1Very low175 Ų175120.3 Ų120.392%0.91668%0.682SS**  trans-71.881.1160.7-107.1114.2000109
81G44Very low40.2Very low65 Ų65121.5 Ų121.567%0.6769%0.692SS**  trans-145.983.117600000109.6T79T79-G81 PolarHBondContact O-N 2.74Å
82A44.3Very low39.7Very low103 Ų103124.5 Ų124.585%0.85171%0.707SS**  trans64.896.8164.700000117.5
83Q34.4Very low39.2Very low198 Ų198126 Ų12693%0.92573%0.732SS**  trans-147126.1133.8-115.7176.8-5.900111.6Q85Q83-Q85 PolarHBondContact O-N 2.83Å
84K36Very low39Very low200 Ų200126.6 Ų126.687%0.8775%0.753SS**  trans-74.4113.3-167-162.8175.3-174.1-179.10109.9T86K84-T86 PolarHBondContact O-N 3.47Å
85Q32.4Very low39Very low193 Ų193130.5 Ų130.590%0.90277%0.768SS**  trans-65.4122.1168.5-80.4180-29.800109.8Q83Q83-Q85 PolarHBondContact O-N 2.83Å
86T35.9Very low39.1Very low136 Ų136131.6 Ų131.683%0.83477%0.773SS**  trans-98.597.416253.50000108.3K84K84-T86 PolarHBondContact O-N 3.47Å
87S32.7Very low39.6Very low117 Ų117132.3 Ų132.382%0.81878%0.778SS**  trans-160.7132.6150.2-160.90000111.1H89S87-H89 PolarHBondContact O-N 2.98Å
88N40.4Very low39.8Very low162 Ų162131.7 Ų131.787%0.86678%0.783SS**SBendtrans-65.5106.2-176-73.8-32.5000112.3
89H33.1Very low39.9Very low185 Ų185132.4 Ų132.486%0.85678%0.78SS**  trans167.3115.8130.4-111.836.3000109.2S87S87-H89 PolarHBondContact O-N 2.98Å
90I30.4Very low40.1Very low156 Ų156132.1 Ų132.180%0.877%0.774SS**  trans-107.2120172.3-61.1171.8000107
91P33.1Very low40.5Very low121 Ų121127.1 Ų127.179%0.78675%0.751SS**  trans-80.3131.8149.311.36.2000108.6
92Q38.7Very low40.5Very low191 Ų191128.9 Ų128.989%0.89374%0.744SS**  trans-69.2134179.5-66-172.2-5.300111.4
93G39.4Very low40.6Very low79 Ų79129.8 Ų129.881%0.81473%0.731SS**SBendtrans131.2104.4156.800000114.6
94G42.2Very low41.5Very low74 Ų74123.5 Ų123.576%0.76371%0.706SS**  trans98121.1168.500000113.6
95E41.9Very low41.9Very low192 Ų192117.4 Ų117.490%0.89768%0.683SS**PPolyproline II helixtrans-53.8123.9166.3-74.5-175.7131.600108.7S97E95-S97 PolarHBondContact O-N 2.86Å
96P45Very low42.7Very low90 Ų90112.4 Ų112.458%0.58467%0.665SS**PPolyproline II helixtrans-66.5122.5176.425.9-29.6000107.5D100P96-D100 HydrophobicContact CB-CB 4.37Å
97S51.7Low43.3Very low73 Ų73113.8 Ų113.851%0.5166%0.655SS.*PPolyproline II helixtrans-56.6148.6170.478.50000108.9E95 D99 D100E95-S97 PolarHBondContact O-N 2.86Å; S97-D99 PolarHBondContact O-N 2.79Å; S97-D100 PolarHBondContact O-N 3.14Å
98G49.3Very low44Very low57 Ų57112.5 Ų112.559%0.58864%0.639SS**Hα-helixtrans-52.1-21-17900000114.1L102G98-L102 PolarHBondContact O-N 3.12Å
99D45.1Very low44.4Very low107 Ų107106.6 Ų106.657%0.57261%0.608SS**Hα-helixtrans-70.5-38.2178.1-14712.8000113.2S97 T101 L102 Q103S97-D99 PolarHBondContact O-N 2.79Å; D99-T101 VanDerWaalsContact C-N 3.34Å; D99-T101 PolarHBondContact O-N 3.38Å; D99-L102 PolarHBondContact O-N 2.87Å; D99-Q103 WeakPolarHBondContact O-CB 3.2Å; D99-Q103 WeakPolarHBondContact O-CG 3.32Å; D99-Q103 PolarHBondContact O-N 2.91Å
100D48.6Very low45.1Very low100 Ų100100 Ų10054%0.53558%0.583SS.*Hα-helixtrans-70.1-33178.3-96.6-23.5000112.4P96 S97 T104P96-D100 HydrophobicContact CB-CB 4.37Å; S97-D100 PolarHBondContact O-N 3.14Å; D100-T104 WeakPolarHBondContact O-CB 3.5Å; D100-T104 PolarHBondContact O-N 3.05Å; D100-T104 PolarHBondContact O-OG1 3.24Å
101T51.7Low45.9Very low70 Ų7097.2 Ų97.243%0.42957%0.566SS.*Hα-helixtrans-70.9-41.2176.2-45.40000110.3D99 T104 L105D99-T101 VanDerWaalsContact C-N 3.34Å; D99-T101 PolarHBondContact O-N 3.38Å; T101-T104 PolarHBondContact O-N 3.39Å; T101-L105 HydrophobicContact CG2-CD1 4.22Å; T101-L105 WeakPolarHBondContact O-CB 3.43Å; T101-L105 WeakPolarHBondContact O-CD1 3.37Å; T101-L105 PolarHBondContact O-N 3.49Å
102L44.6Very low46.6Very low103 Ų10396.7 Ų96.754%0.53955%0.553SS.*Hα-helixtrans-64.7-45.6174.4-118.3126.9000111.9G98 D99 T104 L105 V106G98-L102 PolarHBondContact O-N 3.12Å; D99-L102 PolarHBondContact O-N 2.87Å; L102-T104 VanDerWaalsContact C-N 3.32Å; L102-T104 PolarHBondContact O-N 3.19Å; L102-L105 PolarHBondContact O-N 3.11Å; L102-V106 WeakPolarHBondContact O-CB 3.49Å; L102-V106 WeakPolarHBondContact O-CG2 3.44Å; L102-V106 PolarHBondContact O-N 3.39Å
103Q47.1Very low46.9Very low121 Ų12189.1 Ų89.157%0.56552%0.52SS*.Hα-helixtrans-59.3-42.3175.8-73.2-91.2-1.600111.7D99 V106 R107D99-Q103 WeakPolarHBondContact O-CB 3.2Å; D99-Q103 WeakPolarHBondContact O-CG 3.32Å; D99-Q103 PolarHBondContact O-N 2.91Å; Q103-V106 PolarHBondContact O-N 3.33Å; Q103-R107 VanDerWaalsContact O-CB 3.27Å; Q103-R107 WeakPolarHBondContact O-CB 3.38Å; Q103-R107 PolarHBondContact O-N 3.46Å
104T52.3Low47.3Very low66 Ų6691 Ų9141%0.40551%0.506SS..Hα-helixtrans-67.7-40.2177.9-56.30000112D100 T101 L102 R107 N108D100-T104 WeakPolarHBondContact O-CB 3.5Å; D100-T104 PolarHBondContact O-N 3.05Å; D100-T104 PolarHBondContact O-OG1 3.24Å; T101-T104 PolarHBondContact O-N 3.39Å; L102-T104 VanDerWaalsContact C-N 3.32Å; L102-T104 PolarHBondContact O-N 3.19Å; T104-R107 PolarHBondContact O-N 3.46Å; T104-N108 WeakPolarHBondContact O-CB 3.48Å; T104-N108 VanDerWaalsContact O-CG 3.27Å; T104-N108 PolarHBondContact O-N 3.24Å
105L45.4Very low47.7Very low72 Ų7291.3 Ų91.338%0.37749%0.493SS..Hα-helixtrans-67.6-41.6175-105.9120.2000113L73 T101 L102 R107 N108 N109L73-L105 HydrophobicContact CD1-CD2 3.62Å; L73-L105 HydrophobicContact CD2-CD2 3.25Å; L73-L105 HydrophobicContact CG-CD2 4.02Å; T101-L105 HydrophobicContact CG2-CD1 4.22Å; T101-L105 WeakPolarHBondContact O-CB 3.43Å; T101-L105 WeakPolarHBondContact O-CD1 3.37Å; T101-L105 PolarHBondContact O-N 3.49Å; L102-L105 PolarHBondContact O-N 3.11Å; L105-R107 VanDerWaalsContact C-N 3.34Å; L105-N108 PolarHBondContact O-N 3.07Å; L105-N109 WeakPolarHBondContact O-CB 3.33Å; L105-N109 PolarHBondContact O-N 2.9Å; L105-N109 PolarHBondContact O-ND2 3.02Å
106V48.1Very low48Very low89 Ų8985.3 Ų85.354%0.53947%0.466SS..Hα-helixtrans-63.7-40.9175.3169.10000110.5L102 Q103 S110L102-V106 WeakPolarHBondContact O-CB 3.49Å; L102-V106 WeakPolarHBondContact O-CG2 3.44Å; L102-V106 PolarHBondContact O-N 3.39Å; Q103-V106 PolarHBondContact O-N 3.33Å; V106-S110 VanDerWaalsContact O-CB 3.31Å; V106-S110 WeakPolarHBondContact O-CB 3.25Å; V106-S110 PolarHBondContact O-N 2.87Å
107R48.6Very low48.2Very low164 Ų16489.6 Ų89.662%0.61947%0.471SS*.Hα-helixtrans-66-43.1177-165.717971.9162.61.5112.5Q103 T104 L105 S110 E111Q103-R107 VanDerWaalsContact O-CB 3.27Å; Q103-R107 WeakPolarHBondContact O-CB 3.38Å; Q103-R107 PolarHBondContact O-N 3.46Å; T104-R107 PolarHBondContact O-N 3.46Å; L105-R107 VanDerWaalsContact C-N 3.34Å; R107-S110 WeakPolarHBondContact O-CB 3.13Å; R107-S110 PolarHBondContact O-N 3.39Å; R107-E111 PolarHBondContact O-N 2.75Å; R107-E111 VanDerWaalsContact O-N 3.17Å
108N48.1Very low48.3Very low91 Ų9188 Ų8849%0.48747%0.466SS..Hα-helixtrans-68.8-40.2177.6-70.6-11.1000112.1T104 L105 S110 E111 E112T104-N108 WeakPolarHBondContact O-CB 3.48Å; T104-N108 VanDerWaalsContact O-CG 3.27Å; T104-N108 PolarHBondContact O-N 3.24Å; L105-N108 PolarHBondContact O-N 3.07Å; N108-S110 VanDerWaalsContact C-N 3.31Å; N108-S110 PolarHBondContact O-N 3.04Å; N108-E111 PolarHBondContact O-N 3.2Å; N108-E112 PolarHBondContact O-N 3.14Å; N108-E112 VanDerWaalsContact O-N 3.16Å
109N48.8Very low48.4Very low38 Ų3891.2 Ų91.220%0.20347%0.466CS..Hα-helixtrans-63.1-36.7171.3-85.5-38.2000111.5L73 L105 T113L73-N109 VanDerWaalsContact CD1-ND2 3.25Å; L73-N109 WeakPolarHBondContact CD1-ND2 3.36Å; L105-N109 WeakPolarHBondContact O-CB 3.33Å; L105-N109 PolarHBondContact O-N 2.9Å; L105-N109 PolarHBondContact O-ND2 3.02Å; N109-T113 WeakPolarHBondContact O-CB 3.31Å; N109-T113 PolarHBondContact O-N 3.39Å; N109-T113 PolarHBondContact O-OG1 3.42Å
110S47.4Very low48.5Very low47 Ų4787.6 Ų87.633%0.32945%0.446SS..Hα-helixtrans-61.2-43176.1158.20000112.5V106 R107 N108 K114V106-S110 VanDerWaalsContact O-CB 3.31Å; V106-S110 WeakPolarHBondContact O-CB 3.25Å; V106-S110 PolarHBondContact O-N 2.87Å; R107-S110 WeakPolarHBondContact O-CB 3.13Å; R107-S110 PolarHBondContact O-N 3.39Å; N108-S110 VanDerWaalsContact C-N 3.31Å; N108-S110 PolarHBondContact O-N 3.04Å; S110-K114 WeakPolarHBondContact O-CB 3.5Å; S110-K114 VanDerWaalsContact O-CG 3.22Å; S110-K114 WeakPolarHBondContact O-CG 3.29Å; S110-K114 PolarHBondContact O-N 3Å
111E47.3Very low48.6Very low96 Ų9691.6 Ų91.645%0.44945%0.454SS..Hα-helixtrans-73.1-38.9-179.8-68.4-56.8127.800113R107 N108 K114 T115R107-E111 PolarHBondContact O-N 2.75Å; R107-E111 VanDerWaalsContact O-N 3.17Å; N108-E111 PolarHBondContact O-N 3.2Å; E111-K114 PolarHBondContact O-N 2.85Å; E111-K114 IonicContact OE1-NZ 3.46Å; E111-K114 PolarHBondContact OE1-NZ 3.1Å; E111-T115 PolarHBondContact O-N 2.79Å; E111-T115 PolarHBondContact O-OG1 2.89Å
112E46.7Very low48.7Very low110 Ų11090.1 Ų90.151%0.51445%0.449SS..Hα-helixtrans-65.8-39.4172-72.9-174.1164.300111.7N108 T115 L116N108-E112 PolarHBondContact O-N 3.14Å; N108-E112 VanDerWaalsContact O-N 3.16Å; E112-T115 PolarHBondContact O-N 2.83Å; E112-L116 PolarHBondContact O-N 2.74Å
113T46.7Very low49Very low32 Ų3288.7 Ų88.720%0.19644%0.442CS..Hα-helixtrans-69.6-33177.6-50.80000112L66 N109 R117L66-T113 HydrophobicContact CD1-CG2 4.28Å; N109-T113 WeakPolarHBondContact O-CB 3.31Å; N109-T113 PolarHBondContact O-N 3.39Å; N109-T113 PolarHBondContact O-OG1 3.42Å; T113-R117 WeakPolarHBondContact O-CB 3.49Å; T113-R117 PolarHBondContact O-N 2.88Å
114K48Very low49.2Very low119 Ų11984.7 Ų84.752%0.51742%0.424SS..Hα-helixtrans-66.2-42.1171.6-78.7172.4-1701730111.6S110 E111 R117 G118S110-K114 WeakPolarHBondContact O-CB 3.5Å; S110-K114 VanDerWaalsContact O-CG 3.22Å; S110-K114 WeakPolarHBondContact O-CG 3.29Å; S110-K114 PolarHBondContact O-N 3Å; E111-K114 PolarHBondContact O-N 2.85Å; E111-K114 IonicContact OE1-NZ 3.46Å; E111-K114 PolarHBondContact OE1-NZ 3.1Å; K114-R117 PolarHBondContact O-N 3.21Å; K114-G118 PolarHBondContact O-N 2.89Å
115T50.5Low49.3Very low81 Ų8183.8 Ų83.850%0.49742%0.42SS..Hα-helixtrans-65.5-45.6179.4-53.40000111.2E111 E112 G118 Q119E111-T115 PolarHBondContact O-N 2.79Å; E111-T115 PolarHBondContact O-OG1 2.89Å; E112-T115 PolarHBondContact O-N 2.83Å; T115-G118 PolarHBondContact O-N 2.84Å; T115-Q119 WeakPolarHBondContact O-CG 3.42Å; T115-Q119 PolarHBondContact O-N 3.02Å
116L46.3Very low49.6Very low65 Ų6585.7 Ų85.734%0.3443%0.427SS..Hα-helixtrans-65.6-40.4175.4-90.4149.3000112.9L62 E112 G118 Q119 L120L62-L116 HydrophobicContact CD1-CD2 3.88Å; E112-L116 PolarHBondContact O-N 2.74Å; L116-G118 VanDerWaalsContact C-N 3.32Å; L116-G118 PolarHBondContact O-N 3.19Å; L116-Q119 PolarHBondContact O-N 2.91Å; L116-L120 VanDerWaalsContact O-CB 3.29Å; L116-L120 WeakPolarHBondContact O-CB 3.2Å; L116-L120 PolarHBondContact O-N 2.94Å
117R50.7Low49.9Very low181 Ų18182.8 Ų82.868%0.68341%0.41SS*.Hα-helixtrans-65.4-36.7174.9-168179.3-62.1-1730.6111.7T113 K114 W121T113-R117 WeakPolarHBondContact O-CB 3.49Å; T113-R117 PolarHBondContact O-N 2.88Å; K114-R117 PolarHBondContact O-N 3.21Å; R117-W121 WeakPolarHBondContact O-CB 3.31Å; R117-W121 PolarHBondContact O-N 3.22Å
118G54Low50.2Low39 Ų3980.9 Ų80.940%0.40241%0.406SS..Hα-helixtrans-65.5-45.3172.900000112.7K114 T115 L116 L120 W121 A122K114-G118 PolarHBondContact O-N 2.89Å; T115-G118 PolarHBondContact O-N 2.84Å; L116-G118 VanDerWaalsContact C-N 3.32Å; L116-G118 PolarHBondContact O-N 3.19Å; G118-L120 VanDerWaalsContact C-N 3.34Å; G118-L120 PolarHBondContact O-N 2.04Å; G118-W121 PolarHBondContact O-N 2.72Å; G118-A122 WeakPolarHBondContact O-CB 2.99Å; G118-A122 PolarHBondContact O-N 3.07Å
119Q50Low50.6Low124 Ų12480.8 Ų80.858%0.57941%0.405SS*.Hα-helixtrans-63.1-39.8175.5-74.9177.3-18.900112.1T115 L116 A122 L123T115-Q119 WeakPolarHBondContact O-CG 3.42Å; T115-Q119 PolarHBondContact O-N 3.02Å; L116-Q119 PolarHBondContact O-N 2.91Å; Q119-A122 PolarHBondContact O-N 3.34Å; Q119-L123 WeakPolarHBondContact O-CB 3.47Å; Q119-L123 PolarHBondContact O-N 3.19Å
120L47.5Very low50.6Low31 Ų3183.9 Ų83.916%0.16242%0.422CS..Hα-helixtrans-70.6-35.7177.8-166.699.9000112.6Y55 Q59 L116 G118 L123 D124Y55-L120 HydrophobicContact CE2-CD1 4.34Å; Y55-L120 HydrophobicContact CE2-CG 4.22Å; Q59-L120 VanDerWaalsContact OE1-CD1 3.25Å; L116-L120 VanDerWaalsContact O-CB 3.29Å; L116-L120 WeakPolarHBondContact O-CB 3.2Å; L116-L120 PolarHBondContact O-N 2.94Å; G118-L120 VanDerWaalsContact C-N 3.34Å; G118-L120 PolarHBondContact O-N 2.04Å; L120-L123 PolarHBondContact O-N 3.34Å; L120-D124 WeakPolarHBondContact O-CB 3.4Å; L120-D124 PolarHBondContact O-N 2.83Å
121W51.5Low50.8Low184 Ų18483.3 Ų83.370%0.69742%0.417SS*.Hα-helixtrans-67.8-39.7172.8-174.580.3000111.7R117 G118 L123 D124 S125R117-W121 WeakPolarHBondContact O-CB 3.31Å; R117-W121 PolarHBondContact O-N 3.22Å; G118-W121 PolarHBondContact O-N 2.72Å; W121-L123 VanDerWaalsContact C-N 3.33Å; W121-D124 PolarHBondContact O-N 3.46Å; W121-S125 PolarHBondContact O-N 3.05Å
122A53.8Low51.1Low40 Ų4081.3 Ų81.333%0.33142%0.417SS..Hα-helixtrans-63.1-39.717200000111.8G118 Q119 S125 Q126G118-A122 WeakPolarHBondContact O-CB 2.99Å; G118-A122 PolarHBondContact O-N 3.07Å; Q119-A122 PolarHBondContact O-N 3.34Å; A122-S125 PolarHBondContact O-N 2.93Å; A122-Q126 WeakPolarHBondContact O-CB 3.34Å; A122-Q126 VanDerWaalsContact O-CG 3.28Å; A122-Q126 WeakPolarHBondContact O-CG 3.05Å; A122-Q126 PolarHBondContact O-N 3.24Å
123L49.5Very low51Low73 Ų7382 Ų8238%0.38242%0.42SS..Hα-helixtrans-68.2-40.6176.4-159.577.6000112.1Q119 L120 W121 S125 Q126 V127Q119-L123 WeakPolarHBondContact O-CB 3.47Å; Q119-L123 PolarHBondContact O-N 3.19Å; L120-L123 PolarHBondContact O-N 3.34Å; W121-L123 VanDerWaalsContact C-N 3.33Å; L123-S125 VanDerWaalsContact C-N 3.34Å; L123-S125 PolarHBondContact O-N 3.29Å; L123-Q126 PolarHBondContact O-N 3Å; L123-V127 WeakPolarHBondContact O-CB 3.47Å; L123-V127 VanDerWaalsContact O-CG2 3.27Å; L123-V127 WeakPolarHBondContact O-CG2 3.47Å; L123-V127 PolarHBondContact O-N 3.07Å
124D51.7Low51.1Low36 Ų3685.5 Ų85.519%0.19344%0.435CS..Hα-helixtrans-60.4-43173176.565.2000111.4Y55 L120 W121 V127 K128Y55-D124 HydrophobicContact CE2-CB 4.21Å; L120-D124 WeakPolarHBondContact O-CB 3.4Å; L120-D124 PolarHBondContact O-N 2.83Å; W121-D124 PolarHBondContact O-N 3.46Å; D124-V127 PolarHBondContact O-N 3.11Å; D124-K128 WeakPolarHBondContact O-CB 3.31Å; D124-K128 VanDerWaalsContact O-CG 3.26Å; D124-K128 WeakPolarHBondContact O-CG 3.42Å; D124-K128 PolarHBondContact O-N 2.87Å; D124-K128 WeakPolarHBondContact OD1-CE 3.02Å; D124-K128 IonicContact OD1-NZ 2.74Å; D124-K128 PolarHBondContact OD1-NZ 3.44Å; D124-K128 VanDerWaalsContact OD2-CE 3.28Å; D124-K128 WeakPolarHBondContact OD2-CE 3.37Å; D124-K128 IonicContact OD2-NZ 3.49Å; D124-K128 PolarHBondContact OD2-NZ 2.92Å
125S54.6Low51.3Low47 Ų4781.2 Ų81.233%0.32942%0.424SS..Hα-helixtrans-65.4-40.1174.7-164.70000112.2W121 A122 L123 K128 N129W121-S125 PolarHBondContact O-N 3.05Å; A122-S125 PolarHBondContact O-N 2.93Å; L123-S125 VanDerWaalsContact C-N 3.34Å; L123-S125 PolarHBondContact O-N 3.29Å; S125-K128 PolarHBondContact O-N 2.99Å; S125-N129 WeakPolarHBondContact O-CB 3.38Å; S125-N129 PolarHBondContact O-N 3.24Å; S125-N129 PolarHBondContact O-ND2 3.12Å
126Q52Low51Low112 Ų11282.7 Ų82.752%0.52343%0.425SS..Hα-helixtrans-67.3-40.7176.3-75.817611.800112.1A122 L123 N129 L130A122-Q126 WeakPolarHBondContact O-CB 3.34Å; A122-Q126 VanDerWaalsContact O-CG 3.28Å; A122-Q126 WeakPolarHBondContact O-CG 3.05Å; A122-Q126 PolarHBondContact O-N 3.24Å; L123-Q126 PolarHBondContact O-N 3Å; Q126-N129 PolarHBondContact O-N 2.97Å; Q126-L130 WeakPolarHBondContact O-CB 3.45Å; Q126-L130 WeakPolarHBondContact O-CD1 3.35Å; Q126-L130 WeakPolarHBondContact O-CG 3.36Å; Q126-L130 PolarHBondContact O-N 2.93Å
127V53.8Low50.9Low29 Ų2984.4 Ų84.418%0.17643%0.434CS..Hα-helixtrans-66.5-40.1176.2169.30000111.2V51 L123 D124 N129 L130 C131V51-V127 HydrophobicContact CG1-CG1 3.76Å; V51-V127 HydrophobicContact CG1-CG2 4.3Å; L123-V127 WeakPolarHBondContact O-CB 3.47Å; L123-V127 VanDerWaalsContact O-CG2 3.27Å; L123-V127 WeakPolarHBondContact O-CG2 3.47Å; L123-V127 PolarHBondContact O-N 3.07Å; D124-V127 PolarHBondContact O-N 3.11Å; V127-N129 VanDerWaalsContact C-N 3.33Å; V127-L130 PolarHBondContact O-N 2.62Å; V127-C131 WeakPolarHBondContact O-CB 3.41Å; V127-C131 PolarHBondContact O-N 2.77Å
128K54.9Low50.8Low124 Ų12477.7 Ų77.754%0.53942%0.422SS..Hα-helixtrans-62.2-40.5173.3-77.3169.7179.3167.20111.9D124 S125 A132D124-K128 WeakPolarHBondContact O-CB 3.31Å; D124-K128 VanDerWaalsContact O-CG 3.26Å; D124-K128 WeakPolarHBondContact O-CG 3.42Å; D124-K128 PolarHBondContact O-N 2.87Å; D124-K128 WeakPolarHBondContact OD1-CE 3.02Å; D124-K128 IonicContact OD1-NZ 2.74Å; D124-K128 PolarHBondContact OD1-NZ 3.44Å; D124-K128 VanDerWaalsContact OD2-CE 3.28Å; D124-K128 WeakPolarHBondContact OD2-CE 3.37Å; D124-K128 IonicContact OD2-NZ 3.49Å; D124-K128 PolarHBondContact OD2-NZ 2.92Å; S125-K128 PolarHBondContact O-N 2.99Å; K128-A132 VanDerWaalsContact O-CB 3.24Å; K128-A132 WeakPolarHBondContact O-CB 3.5Å; K128-A132 PolarHBondContact O-N 2.92Å; K128-A132 VanDerWaalsContact O-N 3.12Å
129N56.5Low50.6Low88 Ų8883 Ų8347%0.47143%0.43SS..Hα-helixtrans-71.3-42.9176.9-70.2-11000112.1S125 Q126 V127 A132 E133S125-N129 WeakPolarHBondContact O-CB 3.38Å; S125-N129 PolarHBondContact O-N 3.24Å; S125-N129 PolarHBondContact O-ND2 3.12Å; Q126-N129 PolarHBondContact O-N 2.97Å; V127-N129 VanDerWaalsContact C-N 3.33Å; N129-A132 CarbonylContact O-C 3.58Å; N129-A132 WeakPolarHBondContact O-CA 3.24Å; N129-A132 WeakPolarHBondContact O-CB 3.27Å; N129-A132 PolarHBondContact O-N 3.44Å; N129-E133 WeakPolarHBondContact O-CB 3.27Å; N129-E133 PolarHBondContact O-N 3.42Å
130L48.5Very low50.2Low104 Ų10482.3 Ų82.355%0.54543%0.428SS..Hα-helixtrans-61.5-45.9176-82.5157.5000112.2Q126 V127 A132 E134Q126-L130 WeakPolarHBondContact O-CB 3.45Å; Q126-L130 WeakPolarHBondContact O-CD1 3.35Å; Q126-L130 WeakPolarHBondContact O-CG 3.36Å; Q126-L130 PolarHBondContact O-N 2.93Å; V127-L130 PolarHBondContact O-N 2.62Å; L130-A132 PolarHBondContact O-N 3.33Å; L130-E134 WeakPolarHBondContact O-CB 3.41Å; L130-E134 WeakPolarHBondContact O-CG 3.26Å; L130-E134 PolarHBondContact O-N 3.36Å
131C52.6Low50.3Low34 Ų3489.6 Ų89.623%0.2345%0.453CS..Hα-helixtrans-70-17.2174.4-850000112.9C48 V127C48-C131 WeakPolarHBondContact CB-SG 3.37Å; C48-C131 WeakPolarHBondContact SG-CB 3.46Å; C48-C131 CovalentContact SG-SG 2.08Å; C48-C131 PolarHBondContact SG-SG 3.28Å; V127-C131 WeakPolarHBondContact O-CB 3.41Å; V127-C131 PolarHBondContact O-N 2.77Å
132A52.6Low50.3Low55 Ų5583.6 Ų83.646%0.45544%0.439SS..Hα-helixtrans-86.5-42.7174.300000112.6K128 N129 L130 G135 Q136K128-A132 VanDerWaalsContact O-CB 3.24Å; K128-A132 WeakPolarHBondContact O-CB 3.5Å; K128-A132 PolarHBondContact O-N 2.92Å; K128-A132 VanDerWaalsContact O-N 3.12Å; N129-A132 CarbonylContact O-C 3.58Å; N129-A132 WeakPolarHBondContact O-CA 3.24Å; N129-A132 WeakPolarHBondContact O-CB 3.27Å; N129-A132 PolarHBondContact O-N 3.44Å; L130-A132 PolarHBondContact O-N 3.33Å; A132-G135 PolarHBondContact O-N 2.95Å; A132-Q136 PolarHBondContact O-N 2.08Å
133E45.8Very low50.1Low123 Ų12385.3 Ų85.358%0.57544%0.443SS*.Hα-helixtrans-70.1-34.2176-75.2-177.7172.700111.9N129 G135 Q136 L137N129-E133 WeakPolarHBondContact O-CB 3.27Å; N129-E133 PolarHBondContact O-N 3.42Å; E133-G135 VanDerWaalsContact C-N 3.26Å; E133-G135 PolarHBondContact O-N 3.39Å; E133-Q136 CarbonylContact O-C 3.43Å; E133-Q136 WeakPolarHBondContact O-CA 3.43Å; E133-Q136 VanDerWaalsContact O-CB 3.3Å; E133-Q136 WeakPolarHBondContact O-CB 3.19Å; E133-Q136 PolarHBondContact O-N 3.46Å; E133-L137 PolarHBondContact O-N 2.96Å
134E47.5Very low50.1Low107 Ų10787.4 Ų87.450%0.545%0.454SS..Hα-helixtrans-68-26.8171.1-79-149.2153.400112.9L130 Q136 L137 G138L130-E134 WeakPolarHBondContact O-CB 3.41Å; L130-E134 WeakPolarHBondContact O-CG 3.26Å; L130-E134 PolarHBondContact O-N 3.36Å; E134-Q136 PolarHBondContact O-N 3.41Å; E134-L137 PolarHBondContact O-N 3.32Å; E134-G138 PolarHBondContact O-N 2.98Å
135G52.9Low50.3Low29 Ų2992.4 Ų92.430%0.29947%0.474SS..Hα-helixtrans-62-33.4167.900000111.7A132 E133 R139A132-G135 PolarHBondContact O-N 2.95Å; E133-G135 VanDerWaalsContact C-N 3.26Å; E133-G135 PolarHBondContact O-N 3.39Å; G135-R139 WeakPolarHBondContact O-CB 3.14Å; G135-R139 VanDerWaalsContact O-CG 3.26Å; G135-R139 WeakPolarHBondContact O-CG 3.46Å; G135-R139 PolarHBondContact O-N 3.24Å; G135-R139 PolarHBondContact O-NE 2.76Å
136Q45.1Very low50Low111 Ų11195.7 Ų95.752%0.51949%0.485SS..Hα-helixtrans-76.5-41.8172.1-62.8-179.2-23.800111.7A132 E133 E134 G138 R139 M140A132-Q136 PolarHBondContact O-N 2.08Å; E133-Q136 CarbonylContact O-C 3.43Å; E133-Q136 WeakPolarHBondContact O-CA 3.43Å; E133-Q136 VanDerWaalsContact O-CB 3.3Å; E133-Q136 WeakPolarHBondContact O-CB 3.19Å; E133-Q136 PolarHBondContact O-N 3.46Å; E134-Q136 PolarHBondContact O-N 3.41Å; Q136-G138 PolarHBondContact O-N 3.42Å; Q136-R139 PolarHBondContact O-N 2.77Å; Q136-M140 WeakPolarHBondContact O-CB 3.42Å; Q136-M140 VanDerWaalsContact O-CG 3.25Å; Q136-M140 WeakPolarHBondContact O-CG 3.19Å; Q136-M140 PolarHBondContact O-N 3.27Å
137L42.9Very low50Low101 Ų10195.8 Ų95.853%0.52949%0.489SS..Hα-helixtrans-65.1-38.3177-164.872.1000112.7E133 E134 M140 R141E133-L137 PolarHBondContact O-N 2.96Å; E134-L137 PolarHBondContact O-N 3.32Å; L137-M140 HydrophobicContact CB-CE 4.38Å; L137-M140 HydrophobicContact CD1-CE 3.9Å; L137-R141 VanDerWaalsContact O-CB 3.25Å; L137-R141 WeakPolarHBondContact O-CB 3.37Å; L137-R141 PolarHBondContact O-N 3.21Å
138G49.3Very low50.1Low41 Ų4198.4 Ų98.442%0.42350%0.502SS..Hα-helixtrans-68.7-37.3174.200000112.7E134 Q136 S142E134-G138 PolarHBondContact O-N 2.98Å; Q136-G138 PolarHBondContact O-N 3.42Å; G138-S142 WeakPolarHBondContact O-CB 3.25Å; G138-S142 PolarHBondContact O-N 3.38Å
139R50.5Low50.2Low150 Ų15095.9 Ų95.957%0.56650%0.5SS*.Hα-helixtrans-64.2-54.8169.5-82.1-176.1-74.8-116.50.5110.6G135 Q136 R141 S142 D143G135-R139 WeakPolarHBondContact O-CB 3.14Å; G135-R139 VanDerWaalsContact O-CG 3.26Å; G135-R139 WeakPolarHBondContact O-CG 3.46Å; G135-R139 PolarHBondContact O-N 3.24Å; G135-R139 PolarHBondContact O-NE 2.76Å; Q136-R139 PolarHBondContact O-N 2.77Å; R139-R141 VanDerWaalsContact C-N 3.25Å; R139-R141 PolarHBondContact O-N 3.31Å; R139-R141 VanDerWaalsContact O-N 3.14Å; R139-S142 CarbonylContact O-C 3.57Å; R139-S142 WeakPolarHBondContact O-CA 3.36Å; R139-S142 VanDerWaalsContact O-CB 3.32Å; R139-S142 WeakPolarHBondContact O-CB 3.37Å; R139-S142 PolarHBondContact O-N 3.47Å; R139-D143 VanDerWaalsContact C-OD2 3.3Å; R139-D143 WeakPolarHBondContact O-CB 3.49Å; R139-D143 PolarHBondContact O-N 2.94Å; R139-D143 VanDerWaalsContact O-OD2 3.1Å
140M41.1Very low50.3Low110 Ų11095.3 Ų95.354%0.54250%0.503SS..Hα-helixtrans-54.4-37.7176.2-72.8-172.1-65.600113Q136 L137 L144Q136-M140 WeakPolarHBondContact O-CB 3.42Å; Q136-M140 VanDerWaalsContact O-CG 3.25Å; Q136-M140 WeakPolarHBondContact O-CG 3.19Å; Q136-M140 PolarHBondContact O-N 3.27Å; L137-M140 HydrophobicContact CB-CE 4.38Å; L137-M140 HydrophobicContact CD1-CE 3.9Å; M140-L144 WeakPolarHBondContact O-CB 3.47Å; M140-L144 PolarHBondContact O-N 3.38Å
141R49.6Very low50.6Low183 Ų18392.5 Ų92.569%0.69149%0.494SS*.Hα-helixtrans-74.9-29.5176.6-162.3172.5-169.5168.43112.8L137 R139 K145L137-R141 VanDerWaalsContact O-CB 3.25Å; L137-R141 WeakPolarHBondContact O-CB 3.37Å; L137-R141 PolarHBondContact O-N 3.21Å; R139-R141 VanDerWaalsContact C-N 3.25Å; R139-R141 PolarHBondContact O-N 3.31Å; R139-R141 VanDerWaalsContact O-N 3.14Å; R141-K145 WeakPolarHBondContact O-CB 3.34Å; R141-K145 VanDerWaalsContact O-CG 3.3Å; R141-K145 WeakPolarHBondContact O-CG 3.42Å; R141-K145 PolarHBondContact O-N 3.19Å; R141-K145 VanDerWaalsContact O-N 3.1Å
142S51Low50.7Low59 Ų5997.3 Ų97.341%0.41351%0.508SS..Hα-helixtrans-72.5-41.7171.5-166.60000111G138 R139 K145 M146G138-S142 WeakPolarHBondContact O-CB 3.25Å; G138-S142 PolarHBondContact O-N 3.38Å; R139-S142 CarbonylContact O-C 3.57Å; R139-S142 WeakPolarHBondContact O-CA 3.36Å; R139-S142 VanDerWaalsContact O-CB 3.32Å; R139-S142 WeakPolarHBondContact O-CB 3.37Å; R139-S142 PolarHBondContact O-N 3.47Å; S142-K145 CarbonylContact O-C 3.6Å; S142-K145 WeakPolarHBondContact O-CB 3.29Å; S142-K145 PolarHBondContact O-N 2.83Å; S142-M146 PolarHBondContact O-N 3.29Å
143D50.9Low50.6Low75 Ų7598.9 Ų98.940%0.40151%0.508SS..Hα-helixtrans-67.3-41.3177.1-58.1-23.4000110R139 K145 M146 L147R139-D143 VanDerWaalsContact C-OD2 3.3Å; R139-D143 WeakPolarHBondContact O-CB 3.49Å; R139-D143 PolarHBondContact O-N 2.94Å; R139-D143 VanDerWaalsContact O-OD2 3.1Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 2.93Å; D143-M146 CarbonylContact O-C 3.52Å; D143-M146 PolarHBondContact O-N 3.39Å; D143-L147 VanDerWaalsContact O-CB 3.31Å; D143-L147 WeakPolarHBondContact O-CB 3.34Å; D143-L147 WeakPolarHBondContact O-CG 3.2Å; D143-L147 PolarHBondContact O-N 2.81Å
144L49.3Very low50.8Low118 Ų11898 Ų9862%0.61851%0.507SS*.Hα-helixtrans-64.7-34.7172.7-167.470.6000112.1M140 N148M140-L144 WeakPolarHBondContact O-CB 3.47Å; M140-L144 PolarHBondContact O-N 3.38Å; L144-N148 VanDerWaalsContact O-CB 3.25Å; L144-N148 WeakPolarHBondContact O-CB 3.45Å; L144-N148 PolarHBondContact O-N 2.81Å
145K54.8Low51.1Low141 Ų14198.5 Ų98.561%0.61351%0.51SS*.Hα-helixtrans-69.4-40.8171.9-82179.7-179.7-1730111.9R141 S142 D143 N148 S149R141-K145 WeakPolarHBondContact O-CB 3.34Å; R141-K145 VanDerWaalsContact O-CG 3.3Å; R141-K145 WeakPolarHBondContact O-CG 3.42Å; R141-K145 PolarHBondContact O-N 3.19Å; R141-K145 VanDerWaalsContact O-N 3.1Å; S142-K145 CarbonylContact O-C 3.6Å; S142-K145 WeakPolarHBondContact O-CB 3.29Å; S142-K145 PolarHBondContact O-N 2.83Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 2.93Å; K145-N148 PolarHBondContact O-N 2.94Å; K145-S149 WeakPolarHBondContact O-CB 3.49Å; K145-S149 PolarHBondContact O-N 2.88Å; K145-S149 PolarHBondContact O-OG 3.25Å
146M49.6Very low51Low115 Ų115101.6 Ų101.657%0.56752%0.519SS*.Hα-helixtrans-64-46.4174.5-94.4-165-91.400110.7S142 D143 N148 S149 S150S142-M146 PolarHBondContact O-N 3.29Å; D143-M146 CarbonylContact O-C 3.52Å; D143-M146 PolarHBondContact O-N 3.39Å; M146-N148 PolarHBondContact O-N 2.71Å; M146-S149 PolarHBondContact O-N 3.02Å; M146-S149 VanDerWaalsContact O-N 3.14Å; M146-S150 WeakPolarHBondContact O-CB 3.49Å; M146-S150 PolarHBondContact O-N 3.16Å; M146-S150 PolarHBondContact O-OG 2.94Å
147L51Low51.5Low115 Ų115102.2 Ų102.260%0.60252%0.52SS*.Hα-helixtrans-58.5-45.1174.7-78.9163.2000112.1D143 S149 S150 A151D143-L147 VanDerWaalsContact O-CB 3.31Å; D143-L147 WeakPolarHBondContact O-CB 3.34Å; D143-L147 WeakPolarHBondContact O-CG 3.2Å; D143-L147 PolarHBondContact O-N 2.81Å; L147-S149 VanDerWaalsContact C-N 3.3Å; L147-S149 PolarHBondContact O-N 3.35Å; L147-S150 PolarHBondContact O-N 2.75Å; L147-A151 VanDerWaalsContact O-CB 3.28Å; L147-A151 WeakPolarHBondContact O-CB 3.42Å; L147-A151 PolarHBondContact O-N 3.45Å
148N55Low51.8Low84 Ų84101.7 Ų101.745%0.44952%0.517SS..Hα-helixtrans-68.6-29.8177.7-167.321.1000112.8L144 K145 M146 R152L144-N148 VanDerWaalsContact O-CB 3.25Å; L144-N148 WeakPolarHBondContact O-CB 3.45Å; L144-N148 PolarHBondContact O-N 2.81Å; K145-N148 PolarHBondContact O-N 2.94Å; M146-N148 PolarHBondContact O-N 2.71Å; N148-R152 PolarHBondContact ND2-NH2 3.02Å; N148-R152 VanDerWaalsContact ND2-NH2 3.19Å; N148-R152 PolarHBondContact O-N 2.87Å
149S56.9Low52Low70 Ų70103.9 Ų103.949%0.4952%0.519SS..Hα-helixtrans-75.3-40.6174.6-53.60000111.2K145 M146 L147 R152 N153K145-S149 WeakPolarHBondContact O-CB 3.49Å; K145-S149 PolarHBondContact O-N 2.88Å; K145-S149 PolarHBondContact O-OG 3.25Å; M146-S149 PolarHBondContact O-N 3.02Å; M146-S149 VanDerWaalsContact O-N 3.14Å; L147-S149 VanDerWaalsContact C-N 3.3Å; L147-S149 PolarHBondContact O-N 3.35Å; S149-R152 PolarHBondContact O-N 2.82Å; S149-N153 WeakPolarHBondContact O-CB 3.29Å; S149-N153 PolarHBondContact O-N 3.28Å
150S59.1Low52Low77 Ų77101.9 Ų101.954%0.53852%0.519SS..Hα-helixtrans-65.4-38.5174-65.60000111.8M146 L147 N153 L154M146-S150 WeakPolarHBondContact O-CB 3.49Å; M146-S150 PolarHBondContact O-N 3.16Å; M146-S150 PolarHBondContact O-OG 2.94Å; L147-S150 PolarHBondContact O-N 2.75Å; S150-N153 PolarHBondContact O-N 3.38Å; S150-L154 VanDerWaalsContact O-CB 3.3Å; S150-L154 WeakPolarHBondContact O-CB 3.36Å; S150-L154 PolarHBondContact O-N 3.04Å
151A55.1Low52.3Low44 Ų44103.2 Ų103.236%0.36453%0.528SS..Hα-helixtrans-63.3-46.1174.400000111.6L147 N153 L154 E155L147-A151 VanDerWaalsContact O-CB 3.28Å; L147-A151 WeakPolarHBondContact O-CB 3.42Å; L147-A151 PolarHBondContact O-N 3.45Å; A151-N153 PolarHBondContact O-N 2.02Å; A151-L154 CarbonylContact O-C 3.5Å; A151-L154 WeakPolarHBondContact O-CB 3.45Å; A151-L154 PolarHBondContact O-N 3.08Å; A151-E155 WeakPolarHBondContact O-CG 3.11Å; A151-E155 PolarHBondContact O-N 3.3Å
152R55.2Low52Low136 Ų136103.2 Ų103.251%0.51353%0.533SS..Hα-helixtrans-63.6-39.9173.9-80.4-174.6-102.8174.9-9.5113N148 S149 L154 E155 D156N148-R152 PolarHBondContact ND2-NH2 3.02Å; N148-R152 VanDerWaalsContact ND2-NH2 3.19Å; N148-R152 PolarHBondContact O-N 2.87Å; S149-R152 PolarHBondContact O-N 2.82Å; R152-L154 VanDerWaalsContact C-N 3.27Å; R152-L154 PolarHBondContact O-N 3.46Å; R152-E155 PolarHBondContact O-N 3.32Å; R152-D156 PolarHBondContact O-N 3.18Å
153N50.2Low51.8Low87 Ų87107.1 Ų107.147%0.46554%0.544SS..Hα-helixtrans-65.5-33.8175.2-156.4-56.4000111.5S149 S150 A151 K157S149-N153 WeakPolarHBondContact O-CB 3.29Å; S149-N153 PolarHBondContact O-N 3.28Å; S150-N153 PolarHBondContact O-N 3.38Å; A151-N153 PolarHBondContact O-N 2.02Å; N153-K157 WeakPolarHBondContact O-CB 2.95Å; N153-K157 VanDerWaalsContact O-CG 3.24Å; N153-K157 WeakPolarHBondContact O-CG 3.49Å; N153-K157 PolarHBondContact O-N 3.27Å; N153-K157 VanDerWaalsContact OD1-CE 3.26Å; N153-K157 WeakPolarHBondContact OD1-CE 3.44Å
154L49.5Very low51.4Low106 Ų106106.2 Ų106.256%0.55555%0.553SS**Hα-helixtrans-70.4-39.9173.2-166.971.1000111.6S150 A151 R152 K157 L158S150-L154 VanDerWaalsContact O-CB 3.3Å; S150-L154 WeakPolarHBondContact O-CB 3.36Å; S150-L154 PolarHBondContact O-N 3.04Å; A151-L154 CarbonylContact O-C 3.5Å; A151-L154 WeakPolarHBondContact O-CB 3.45Å; A151-L154 PolarHBondContact O-N 3.08Å; R152-L154 VanDerWaalsContact C-N 3.27Å; R152-L154 PolarHBondContact O-N 3.46Å; L154-K157 PolarHBondContact O-N 2.9Å; L154-L158 HydrophobicContact CG-CD1 4.23Å; L154-L158 WeakPolarHBondContact O-CB 3.5Å; L154-L158 WeakPolarHBondContact O-CD1 3.4Å; L154-L158 VanDerWaalsContact O-CG 3.24Å; L154-L158 WeakPolarHBondContact O-CG 3.42Å; L154-L158 PolarHBondContact O-N 3.18Å
155E54Low51Low117 Ų117106.3 Ų106.355%0.54756%0.56SS.*Hα-helixtrans-62-44.7172.5-74.4175.6165.600111.6A151 R152 K157 L158 I159A151-E155 WeakPolarHBondContact O-CG 3.11Å; A151-E155 PolarHBondContact O-N 3.3Å; R152-E155 PolarHBondContact O-N 3.32Å; E155-K157 PolarHBondContact O-N 3.23Å; E155-L158 CarbonylContact O-C 3.39Å; E155-L158 WeakPolarHBondContact O-CB 3.26Å; E155-L158 PolarHBondContact O-N 3.17Å; E155-L158 VanDerWaalsContact O-N 3.16Å; E155-I159 VanDerWaalsContact O-CG1 3.28Å; E155-I159 WeakPolarHBondContact O-CG1 3.09Å; E155-I159 PolarHBondContact O-N 2.83Å
156D52.1Low50.6Low94 Ų94105.8 Ų105.850%0.50357%0.571SS.*Hα-helixtrans-63.8-39.3174.9-74.2-24.3000111.8R152 I159 N160R152-D156 PolarHBondContact O-N 3.18Å; D156-I159 PolarHBondContact O-N 3.33Å; D156-N160 WeakPolarHBondContact O-CB 3.48Å; D156-N160 PolarHBondContact O-N 2.7Å; D156-N160 PolarHBondContact O-ND2 3.36Å; D156-N160 VanDerWaalsContact O-ND2 3.07Å
157K53.6Low50.2Low124 Ų124103.2 Ų103.254%0.53957%0.574SS.*Hα-helixtrans-66.5-36.9172.5-78.1173.6-179.6174.60112.1N153 L154 E155 N160 L161N153-K157 WeakPolarHBondContact O-CB 2.95Å; N153-K157 VanDerWaalsContact O-CG 3.24Å; N153-K157 WeakPolarHBondContact O-CG 3.49Å; N153-K157 PolarHBondContact O-N 3.27Å; N153-K157 VanDerWaalsContact OD1-CE 3.26Å; N153-K157 WeakPolarHBondContact OD1-CE 3.44Å; L154-K157 PolarHBondContact O-N 2.9Å; E155-K157 PolarHBondContact O-N 3.23Å; K157-N160 CarbonylContact O-C 3.21Å; K157-N160 PolarHBondContact O-N 2.75Å; K157-L161 VanDerWaalsContact O-CB 3.31Å; K157-L161 WeakPolarHBondContact O-CB 3.12Å; K157-L161 WeakPolarHBondContact O-CD1 3.4Å; K157-L161 WeakPolarHBondContact O-CG 3.28Å; K157-L161 PolarHBondContact O-N 2.97Å
158L50.1Low49.6Very low89 Ų89103.4 Ų103.447%0.46658%0.583SS.*Hα-helixtrans-69.1-34.5175.4-78.6162.8000111.9L154 E155 L161 K162L154-L158 HydrophobicContact CG-CD1 4.23Å; L154-L158 WeakPolarHBondContact O-CB 3.5Å; L154-L158 WeakPolarHBondContact O-CD1 3.4Å; L154-L158 VanDerWaalsContact O-CG 3.24Å; L154-L158 WeakPolarHBondContact O-CG 3.42Å; L154-L158 PolarHBondContact O-N 3.18Å; E155-L158 CarbonylContact O-C 3.39Å; E155-L158 WeakPolarHBondContact O-CB 3.26Å; E155-L158 PolarHBondContact O-N 3.17Å; E155-L158 VanDerWaalsContact O-N 3.16Å; L158-L161 PolarHBondContact O-N 3.48Å; L158-K162 WeakPolarHBondContact O-CG 3.47Å; L158-K162 PolarHBondContact O-N 3.19Å; L158-K162 VanDerWaalsContact O-N 3.16Å
159I53.7Low49.2Very low88 Ų88105.6 Ų105.645%0.45160%0.601SS.*Hα-helixtrans-67.9-43.2172.6-69.1164.2000110.5E155 D156 L161 K162 Q163E155-I159 VanDerWaalsContact O-CG1 3.28Å; E155-I159 WeakPolarHBondContact O-CG1 3.09Å; E155-I159 PolarHBondContact O-N 2.83Å; D156-I159 PolarHBondContact O-N 3.33Å; I159-L161 VanDerWaalsContact C-N 3.33Å; I159-L161 PolarHBondContact O-N 3.35Å; I159-K162 WeakPolarHBondContact O-CB 3.24Å; I159-K162 PolarHBondContact O-N 3.39Å; I159-Q163 PolarHBondContact O-N 3.4Å; I159-Q163 VanDerWaalsContact O-N 3.17Å
160N50Low48.6Very low108 Ų108105.5 Ų105.558%0.57861%0.611SS**Hα-helixtrans-73.1-20.5175.1-71.4-38.5000113.7D156 K157 Q163D156-N160 WeakPolarHBondContact O-CB 3.48Å; D156-N160 PolarHBondContact O-N 2.7Å; D156-N160 PolarHBondContact O-ND2 3.36Å; D156-N160 VanDerWaalsContact O-ND2 3.07Å; K157-N160 CarbonylContact O-C 3.21Å; K157-N160 PolarHBondContact O-N 2.75Å; N160-Q163 CarbonylContact O-C 3.49Å
161L48.3Very low47.7Very low137 Ų137113.4 Ų113.472%0.71763%0.63SS**Hα-helixtrans-75-29.1168.9-88.9153.9000111.7K157 L158 I159K157-L161 VanDerWaalsContact O-CB 3.31Å; K157-L161 WeakPolarHBondContact O-CB 3.12Å; K157-L161 WeakPolarHBondContact O-CD1 3.4Å; K157-L161 WeakPolarHBondContact O-CG 3.28Å; K157-L161 PolarHBondContact O-N 2.97Å; L158-L161 PolarHBondContact O-N 3.48Å; I159-L161 VanDerWaalsContact C-N 3.33Å; I159-L161 PolarHBondContact O-N 3.35Å
162K43.6Very low47.6Very low183 Ų183119.1 Ų119.180%0.79665%0.654SS**Hα-helixtrans-77.2-23.8173.5-72.7178.6-179.6-178.70112.8L158 I159L158-K162 WeakPolarHBondContact O-CG 3.47Å; L158-K162 PolarHBondContact O-N 3.19Å; L158-K162 VanDerWaalsContact O-N 3.16Å; I159-K162 WeakPolarHBondContact O-CB 3.24Å; I159-K162 PolarHBondContact O-N 3.39Å
163Q46.8Very low46.9Very low141 Ų141116 Ų11666%0.65966%0.664SS**SBendtrans-114.490.3174.5-63.3-177.737.200108.8I159 N160I159-Q163 PolarHBondContact O-N 3.4Å; I159-Q163 VanDerWaalsContact O-N 3.17Å; N160-Q163 CarbonylContact O-C 3.49Å
164G40.7Very low46.5Very low56 Ų56120.4 Ų120.458%0.57769%0.687SS**PPolyproline II helixtrans-51.8155.8177.600000112.5
165P41.5Very low46.3Very low120 Ų120120.8 Ų120.878%0.77970%0.698SS**PPolyproline II helixtrans-53.9146-176.922.2-32.6000111G167P165-G167 PolarHBondContact O-N 2.95Å; P165-G167 VanDerWaalsContact O-N 3.09Å
166P46Very low45.9Very low130 Ų130118.6 Ų118.684%0.84471%0.707SS**PPolyproline II helixtrans-50.2122.8176.9-2532.8000109.8
167G42Very low45.4Very low61 Ų61123 Ų12363%0.62973%0.725SS**PPolyproline II helixtrans-57.1148.7-179.700000110.6P165P165-G167 PolarHBondContact O-N 2.95Å; P165-G167 VanDerWaalsContact O-N 3.09Å
168P37.9Very low45.3Very low120 Ų120123.1 Ų123.178%0.77974%0.738SS**PPolyproline II helixtrans-54.9146.1174.624-32.5000109.7G170P168-G170 PolarHBondContact O-N 3.41Å
169P47.1Very low45.2Very low129 Ų129122.3 Ų122.384%0.83875%0.751SS**PPolyproline II helixtrans-47.9131.7175.8-26.133.2000110.3R171P169-R171 PolarHBondContact O-N 3.07Å
170G43.6Very low44.7Very low68 Ų68124.5 Ų124.570%0.70177%0.769SS**PPolyproline II helixtrans-54.1139.5178.400000110.1P168 D172P168-G170 PolarHBondContact O-N 3.41Å; G170-D172 PolarHBondContact O-N 3.48Å
171R41.2Very low45Very low244 Ų244125.3 Ų125.392%0.92178%0.78SS**PPolyproline II helixtrans-59.6133.2175.9-52.5-177.7-177.2-166.3-0.4108.1P169 G173P169-R171 PolarHBondContact O-N 3.07Å; R171-G173 PolarHBondContact O-N 2.93Å
172D53.4Low45Very low164 Ų164122.3 Ų122.388%0.87778%0.782SS**PPolyproline II helixtrans-50.7127.5174.6-67.8-35.5000109.4G170G170-D172 PolarHBondContact O-N 3.48Å
173G40.4Very low45.2Very low71 Ų71121.5 Ų121.573%0.73279%0.787SS**PPolyproline II helixtrans-59.7142.7178.300000110.3R171 S175R171-G173 PolarHBondContact O-N 2.93Å; G173-S175 PolarHBondContact O-N 3.35Å
174L40.5Very low45.3Very low178 Ų178126.5 Ų126.593%0.93280%0.799SS**PPolyproline II helixtrans-51.9119.2175.8-70.2170.5000109.2G176L174-G176 PolarHBondContact O-N 3.5Å
175S45.9Very low45.6Very low114 Ų114127 Ų12780%0.79781%0.805SS**PPolyproline II helixtrans-55.1126.5175.143.50000109.5G173G173-S175 PolarHBondContact O-N 3.35Å
176G45.8Very low45.6Very low71 Ų71129.8 Ų129.873%0.73281%0.812SS**PPolyproline II helixtrans-53.9139.8179.300000111.4L174L174-G176 PolarHBondContact O-N 3.5Å
177Q40.5Very low45.4Very low188 Ų188132.4 Ų132.488%0.87981%0.81SS**PPolyproline II helixtrans-56.2133.9178.2-80.1-173.9-27.400110.3G179Q177-G179 PolarHBondContact O-N 2.93Å
178P52Low45.6Very low125 Ų125132.5 Ų132.581%0.81281%0.811SS**PPolyproline II helixtrans-56.5132.7174.5-22.832.3000110.7
179G48.2Very low45.7Very low72 Ų72134.7 Ų134.774%0.74282%0.816SS**PPolyproline II helixtrans-58.2139.2173.800000111.1Q177Q177-G179 PolarHBondContact O-N 2.93Å
180T43.8Very low45.5Very low135 Ų135135.8 Ų135.883%0.82881%0.813SS**PPolyproline II helixtrans-58.1133.217746.60000110.4G182T180-G182 PolarHBondContact O-N 2.95Å
181P55.2Low45.4Very low124 Ų124135.8 Ų135.881%0.80581%0.813SS**PPolyproline II helixtrans-55.6133.2175.6-24.733.9000111.5
182G48.8Very low45.1Very low74 Ų74132 Ų13276%0.76381%0.812SS**PPolyproline II helixtrans-65.7143.8178.200000112.3T180 R184T180-G182 PolarHBondContact O-N 2.95Å; G182-R184 PolarHBondContact O-N 3.47Å
183D47Very low44.7Very low167 Ų167129.5 Ų129.589%0.89381%0.813SS**PPolyproline II helixtrans-56.9136-178.6-69-40.9000112.2G185D183-G185 PolarHBondContact O-N 3.33Å
184R50.4Low44.4Very low245 Ų245129.3 Ų129.393%0.92581%0.812SS**PPolyproline II helixtrans-65.1118.6178.4-171.8175.5-176143.70.4109.4G182G182-R184 PolarHBondContact O-N 3.47Å
185G46.9Very low44.2Very low67 Ų67127.7 Ų127.769%0.69181%0.812SS**PPolyproline II helixtrans-56.1141.517500000112.4D183D183-G185 PolarHBondContact O-N 3.33Å
186L41.2Very low44.4Very low178 Ų178130.7 Ų130.793%0.93281%0.813SS**PPolyproline II helixtrans-58.7135.5-179.5-66.9172.1000111G188L186-G188 PolarHBondContact O-N 3.05Å
187K41.8Very low43.9Very low186 Ų186130.7 Ų130.781%0.80981%0.814SS**PPolyproline II helixtrans-61.6116.3177.3-178.1-178.3178.3-174.10109.4
188G45.3Very low44.1Very low63 Ų63129.5 Ų129.565%0.64981%0.812SS**PPolyproline II helixtrans-72.8144.3170.400000111.5L186L186-G188 PolarHBondContact O-N 3.05Å
189D41.3Very low43.4Very low165 Ų165133.4 Ų133.488%0.88282%0.817SS**PPolyproline II helixtrans-64.8149.1-177.4-67.3-45.8000112.9G191D189-G191 PolarHBondContact O-N 3.12Å
190I41.8Very low43.2Very low152 Ų152132.9 Ų132.978%0.77981%0.812SS**PPolyproline II helixtrans-69.4122-176.3-64.7166.9000109.4
191G42Very low42.8Very low68 Ų68134.3 Ų134.370%0.70181%0.814SS**PPolyproline II helixtrans-97.1140.3164.500000110.9D189D189-G191 PolarHBondContact O-N 3.12Å
192D35.9Very low42Very low165 Ų165136.1 Ų136.188%0.88282%0.817SS**PPolyproline II helixtrans-64.1150.2-175.3-68.2-45.7000114
193A44.2Very low41.6Very low111 Ų111136 Ų13692%0.91782%0.816SS**PPolyproline II helixtrans-78.8149.4-172.800000114.5
194G33.1Very low41.1Very low68 Ų68137.3 Ų137.370%0.70182%0.816SS**  trans-145.2155.2166.400000111.3
195P37.4Very low40.8Very low143 Ų143131.5 Ų131.593%0.92981%0.81SS**  trans-82.3157.1-144.531.7-35.6000116.2
196Q49.2Very low40.7Very low177 Ų177131.7 Ų131.783%0.82781%0.813SS**  trans-68.3146.4-165.7-171.3179.3-6.600115.4
197G35.2Very low40.5Very low72 Ų72132.6 Ų132.674%0.74281%0.812SS**  trans-138.2128161.300000110.5
198L45.7Very low40.5Very low162 Ų162129.4 Ų129.485%0.84881%0.813SS**  trans-71.1127.7-168.1-63.9165.9000112.5
199K37.8Very low40.3Very low207 Ų207129.9 Ų129.990%0.982%0.818SS**  trans-117124166.1-170.6173.1-179.8178.80109.1
200G42.6Very low40.2Very low62 Ų62126.6 Ų126.664%0.63981%0.814SS**PPolyproline II helixtrans-66.8167.7-166.400000116.6
201D37.2Very low40.3Very low165 Ų165125.5 Ų125.588%0.88282%0.817SS**PPolyproline II helixtrans-64.9128.1-161-54.9-44.8000114.1
202N37.6Very low40.2Very low162 Ų162125.3 Ų125.387%0.86681%0.814SS**PPolyproline II helixtrans-80.1130.3153.6-73.63.3000107.6
203G40.4Very low40.3Very low71 Ų71123.8 Ų123.873%0.73281%0.813SS**PPolyproline II helixtrans-53.4148.1-173.800000114.6
204Q36.1Very low40.2Very low194 Ų194130.2 Ų130.291%0.90781%0.814SS**PPolyproline II helixtrans-56.7132-178.5-73-174.9-7100111.8G206Q204-G206 PolarHBondContact O-N 2.95Å
205P44.6Very low40.5Very low123 Ų123129.6 Ų129.680%0.79981%0.807SS**PPolyproline II helixtrans-57135.2160.9-20.832.4000110.1
206G43.5Very low40.5Very low72 Ų72128.7 Ų128.774%0.74280%0.801SS**PPolyproline II helixtrans-58141.1177.100000111.9Q204 S208Q204-G206 PolarHBondContact O-N 2.95Å; G206-S208 PolarHBondContact O-N 2.8Å
207Q37.3Very low40.2Very low197 Ų197126.4 Ų126.492%0.92180%0.802SS**PPolyproline II helixtrans-60.1130.7-178-70.2-179.90.200111.4G209Q207-G209 PolarHBondContact O-N 2.78Å
208S41.8Very low40.4Very low119 Ų119126.1 Ų126.183%0.83280%0.799SS**PPolyproline II helixtrans-60.9130.7170-49.30000110.1G206G206-S208 PolarHBondContact O-N 2.8Å
209G41.7Very low40Very low73 Ų73124.8 Ų124.875%0.75380%0.8SS**PPolyproline II helixtrans-58.8143.2177.700000112.5Q207Q207-G209 PolarHBondContact O-N 2.78Å
210A38.3Very low40.2Very low95 Ų95119.8 Ų119.879%0.78580%0.797SS**PPolyproline II helixtrans-58.9141.4-178.400000111.9G212A210-G212 PolarHBondContact O-N 2.93Å
211P45.5Very low40.1Very low130 Ų130120.3 Ų120.384%0.84480%0.803SS**PPolyproline II helixtrans-57.1135.8173.7-22.832.8000111.6
212G39.8Very low40.1Very low63 Ų63117 Ų11765%0.64980%0.798SS**PPolyproline II helixtrans-63.1154.8179.500000113.1A210A210-G212 PolarHBondContact O-N 2.93Å
213P37.3Very low40.4Very low133 Ų133115.5 Ų115.586%0.86480%0.797SS**PPolyproline II helixtrans-61.8139-177.224.9-32.9000111.7G215P213-G215 PolarHBondContact O-N 2.91Å
214R42.8Very low40.4Very low247 Ų247115.5 Ų115.593%0.93280%0.797SS**PPolyproline II helixtrans-61.7129.9175.5-177.5177.8177.7-178.9-0.1109.8
215G39.7Very low40.5Very low54 Ų54114.4 Ų114.456%0.55780%0.797SS**PPolyproline II helixtrans-60.6154178.700000113.2P213P213-G215 PolarHBondContact O-N 2.91Å
216P36.1Very low40.5Very low124 Ų124118.2 Ų118.281%0.80581%0.805SS**PPolyproline II helixtrans-62.1146.9-17825-32.7000111.7
217P43.2Very low40.6Very low130 Ų130117.5 Ų117.584%0.84480%0.797SS**PPolyproline II helixtrans-57.4141.6174.2-21.632.2000111.7
218G38.6Very low41.1Very low65 Ų65115.2 Ų115.267%0.6780%0.8SS**PPolyproline II helixtrans-63.8155.2175.800000112.6
219P38.3Very low41.3Very low134 Ų134112.8 Ų112.887%0.8779%0.793SS**PPolyproline II helixtrans-61.6142.7-178.324.6-32.5000111.7
220A42.8Very low41.1Very low103 Ų103114.1 Ų114.185%0.85180%0.797SS**PPolyproline II helixtrans-64.5135.3176.600000110.8
221G40.7Very low41.4Very low73 Ų73119.6 Ų119.675%0.75380%0.803SS**PPolyproline II helixtrans-63.6146.7177.400000112.3
222A35.8Very low41.6Very low95 Ų95116.7 Ų116.779%0.78580%0.797SS**PPolyproline II helixtrans-60141.418000000111.9G224A222-G224 PolarHBondContact O-N 2.96Å
223P43.8Very low41.6Very low130 Ų130123.1 Ų123.184%0.84481%0.81SS**PPolyproline II helixtrans-62.8126.8175.6-19.631.5000111.6
224G41.8Very low42Very low71 Ų71126.5 Ų126.573%0.73281%0.811SS**PPolyproline II helixtrans-80.7139.5173.700000112.2A222A222-G224 PolarHBondContact O-N 2.96Å
225N37.8Very low42.1Very low171 Ų171117.9 Ų117.991%0.91480%0.799SS**PPolyproline II helixtrans-66.5136.6174.6-72.8-29.6000111.2
226Q44.9Very low42Very low204 Ų204119.8 Ų119.895%0.95381%0.809SS**PPolyproline II helixtrans-65.8129.5-173-71174.6-26.800113.1
227G44.5Very low42.4Very low57 Ų57119.9 Ų119.959%0.58881%0.81SS**  trans-165.9147163.300000108.9G229G227-G229 PolarHBondContact O-N 3.13Å
228P48.4Very low42.2Very low149 Ų149117.2 Ų117.297%0.96881%0.806SS**SBendtrans-77.694-17330.8-31.4000110.2
229G45Very low42.1Very low67 Ų67117.4 Ų117.469%0.69181%0.808SS**  trans-165.8127.4175.200000111.4G227G227-G229 PolarHBondContact O-N 3.13Å
230A37.7Very low42.3Very low101 Ų101117.4 Ų117.484%0.83581%0.808SS**  trans19.6118.1174.300000119.2G232A230-G232 PolarHBondContact O-N 2.63Å; A230-G232 VanDerWaalsContact O-N 3.13Å
231K45.4Very low42.1Very low210 Ų210115.9 Ų115.991%0.91380%0.803SS**  trans-49.6114.7166.5-176179.2-177.3179.30110.5
232G49.7Very low41.8Very low69 Ų69120.5 Ų120.571%0.71181%0.809SS**PPolyproline II helixtrans-62.8143.5177.600000112.9A230A230-G232 PolarHBondContact O-N 2.63Å; A230-G232 VanDerWaalsContact O-N 3.13Å
233E40.1Very low42.2Very low198 Ų198121.9 Ų121.993%0.92581%0.81SS**PPolyproline II helixtrans-64.5139.8-178-65.5-177.9152.200112G235E233-G235 PolarHBondContact O-N 3.37Å
234K45Very low42Very low205 Ų205118.7 Ų118.789%0.89180%0.801SS**PPolyproline II helixtrans-66.2123.1176.4-176.3-179.5-179.6-178.60109
235G45.9Very low41.8Very low66 Ų66121.8 Ų121.868%0.6881%0.808SS**PPolyproline II helixtrans-53.5142.3176.200000112.5E233E233-G235 PolarHBondContact O-N 3.37Å
236A36.8Very low42.1Very low93 Ų93123.6 Ų123.677%0.76981%0.807SS**PPolyproline II helixtrans-58.1144.3-175.900000112.2
237P43.8Very low42Very low126 Ų126117 Ų11782%0.81879%0.794SS**PPolyproline II helixtrans-58.1138.1173.9-19.730.9000111.4
238G39.8Very low41.5Very low75 Ų75121.8 Ų121.877%0.77381%0.806SS**PPolyproline II helixtrans-59.3139.2172.700000111.3
239G36.1Very low41.5Very low68 Ų68120.7 Ų120.770%0.70180%0.799SS**PPolyproline II helixtrans-62.3160.1-178.100000113.5
240P41.8Very low41.4Very low135 Ų135121 Ų12188%0.87780%0.803SS**PPolyproline II helixtrans-59.4141.7177-1830.1000111.6
241G40.1Very low41.5Very low71 Ų71123.1 Ų123.173%0.73281%0.805SS**PPolyproline II helixtrans-64.5150.217300000111.9
242L34.5Very low41.5Very low170 Ų170118 Ų11889%0.8980%0.802SS**PPolyproline II helixtrans-58.8140.6179.4-67.3169.8000111.2
243P43.9Very low41Very low124 Ų124118.4 Ų118.481%0.80581%0.807SS**PPolyproline II helixtrans-57.5138.4173.5-22.532.8000111.5
244G38.6Very low40.9Very low63 Ų63118.4 Ų118.465%0.64981%0.807SS**PPolyproline II helixtrans-65158.9175.700000112.6
245P38Very low40.9Very low136 Ų136118.8 Ų118.888%0.88381%0.808SS**PPolyproline II helixtrans-59.7140.9179.524.8-32.8000111.5G247P245-G247 PolarHBondContact O-N 3.07Å
246K45.1Very low40.7Very low208 Ų208119 Ų11990%0.90481%0.811SS**PPolyproline II helixtrans-65.9128.6177.4-174.8177-179.9177.80109.5
247G41.9Very low40.6Very low65 Ų65120.6 Ų120.667%0.6782%0.816SS**PPolyproline II helixtrans-66.3152.1178.400000113.2P245P245-G247 PolarHBondContact O-N 3.07Å
248D34.3Very low40.6Very low158 Ų158120.9 Ų120.985%0.84582%0.821SS**PPolyproline II helixtrans-62.2144.4-177.5-64.9-42.9000112.4
249P47.9Very low40.5Very low127 Ų127121 Ų12183%0.82582%0.822SS**PPolyproline II helixtrans-64.1137.6175.9-19.331.6000112.6
250G42.5Very low40.3Very low74 Ų74124 Ų12476%0.76383%0.832SS**PPolyproline II helixtrans-67.4148.8176.500000113.5
251T39.4Very low40.3Very low144 Ų144126.7 Ų126.788%0.88383%0.833SS**PPolyproline II helixtrans-66.4144.5-179.951.70000112.8
252A45.7Very low40.2Very low102 Ų102126.4 Ų126.484%0.84383%0.831SS**PPolyproline II helixtrans-65.8136.1-178.400000113.6
253G40.6Very low40.2Very low79 Ų79125.3 Ų125.381%0.81483%0.831SS**PPolyproline II helixtrans-79.6144.3178.300000113.8
254Q37.3Very low40Very low198 Ų198125.2 Ų125.293%0.92583%0.829SS**PPolyproline II helixtrans-76.2148.7179-67.1-175.28.700112.9
255K45.2Very low40.1Very low212 Ų212125.6 Ų125.692%0.92283%0.832SS**PPolyproline II helixtrans-79.5125.7-178.2-169.2-179.6-169.5178.10111.9
256G42Very low40Very low71 Ų71127.8 Ų127.873%0.73284%0.836SS**PPolyproline II helixtrans-92.8149.5173.400000114.1
257S34.3Very low39.6Very low126 Ų126126.3 Ų126.388%0.88183%0.832SS**PPolyproline II helixtrans-85.2153.1-170.746.50000115.8
258S44Very low39.7Very low132 Ų132126.5 Ų126.592%0.92383%0.834SS**PPolyproline II helixtrans-82.2156.2-177.8-60.90000116.1
259G37.9Very low39.9Very low78 Ų78128.1 Ų128.180%0.80484%0.836SS**  trans167.4152.815700000110.9
260S31.2Very low39.8Very low130 Ų130131.1 Ų131.191%0.90984%0.837SS**  cis-158.8156.1-8.348.10000108.2
261Q42.5Very low40.1Very low192 Ų192130.6 Ų130.690%0.89783%0.831SS**  trans-102.5155.5-163.5-173.3-176.1-2600115.3
262G37.4Very low40.1Very low66 Ų66131.8 Ų131.868%0.6883%0.832SS**  trans176.8145.2154.300000111.8
263T34.1Very low40.1Very low146 Ų146132.2 Ų132.290%0.89683%0.829SS**  cis-147.1158.31.546.90000110.8
264T39.4Very low40.4Very low123 Ų123131.4 Ų131.476%0.75582%0.821SS**  trans-79.2142.5-161.6-50.40000116.9
265G41.2Very low40.5Very low70 Ų70127.8 Ų127.872%0.72282%0.815SS**  trans-117.4142.1154.100000110
266L36Very low40.8Very low183 Ų183123.9 Ų123.996%0.95881%0.811SS**PPolyproline II helixtrans-56.3135.3-159.5-68.7167.4000115.7
267Q37Very low40.9Very low177 Ų177123.6 Ų123.683%0.82781%0.808SS**PPolyproline II helixtrans-83.8117.2-171.5-175.2176.91800111.7
268G44.9Very low41.3Very low69 Ų69124 Ų12471%0.71181%0.807SS**PPolyproline II helixtrans-79.2129.915500000109K270G268-K270 PolarHBondContact O-N 2.92Å
269Q38Very low41.4Very low191 Ų191127 Ų12789%0.89381%0.807SS**PPolyproline II helixtrans-58.8120.2-178-69.7-176.23.100110.6G271Q269-G271 PolarHBondContact O-N 2.73Å
270K44.5Very low41.7Very low191 Ų191126.5 Ų126.583%0.8380%0.802SS**PPolyproline II helixtrans-75.6118.2171.3-172.2-177.3-172-174.70107.5G268G268-K270 PolarHBondContact O-N 2.92Å
271G50.6Low42.1Very low63 Ų63125.1 Ų125.165%0.64980%0.799SS**PPolyproline II helixtrans-58.8146.6177.900000112.5Q269Q269-G271 PolarHBondContact O-N 2.73Å
272D39.4Very low42.1Very low168 Ų168124.2 Ų124.290%0.89880%0.799SS**PPolyproline II helixtrans-55.2140.6-179.3-66-41.6000111.7G274D272-G274 PolarHBondContact O-N 3.42Å
273S45.2Very low42.1Very low111 Ų111123.7 Ų123.778%0.77679%0.793SS**PPolyproline II helixtrans-70.7128.9175.2-54.50000109.2
274G47Very low42.3Very low63 Ų63122.7 Ų122.765%0.64979%0.789SS**PPolyproline II helixtrans-59.4153176.800000112.2D272D272-G274 PolarHBondContact O-N 3.42Å
275P39.5Very low42.6Very low122 Ų122122.9 Ų122.979%0.79279%0.793SS**PPolyproline II helixtrans-60.3147.2-179.124.5-32.6000111.1G277P275-G277 PolarHBondContact O-N 3.26Å
276P50.7Low42.4Very low129 Ų129123 Ų12384%0.83879%0.794SS**PPolyproline II helixtrans-54.6135.9173.6-22.232.1000111
277G44.8Very low42.5Very low65 Ų65119.3 Ų119.367%0.6779%0.79SS**PPolyproline II helixtrans-60.7151.2177.700000112.2P275 Q279P275-G277 PolarHBondContact O-N 3.26Å; G277-Q279 PolarHBondContact O-N 3.25Å
278P41.9Very low42.6Very low135 Ų135120.3 Ų120.388%0.87779%0.791SS**PPolyproline II helixtrans-61.4137.9-178.325.2-32.8000111G280P278-G280 PolarHBondContact O-N 3.48Å
279Q45.5Very low42.4Very low194 Ų194120.2 Ų120.291%0.90779%0.79SS**PPolyproline II helixtrans-64.2128.6178.8-168.4164.8-18.400110.1G277G277-Q279 PolarHBondContact O-N 3.25Å
280G45.5Very low42.3Very low68 Ų68118.9 Ų118.970%0.70179%0.789SS**PPolyproline II helixtrans-61.2144-177.600000112.8P278P278-G280 PolarHBondContact O-N 3.48Å
281A39Very low41.9Very low102 Ų102119.2 Ų119.284%0.84379%0.794SS**PPolyproline II helixtrans-60139.4-176.800000112.4G283A281-G283 PolarHBondContact O-N 2.74Å
282L41.6Very low41.3Very low173 Ų173119 Ų11991%0.90679%0.791SS**PPolyproline II helixtrans-65.4129.8174.6-163.574.3000109.6
283G39Very low41.2Very low54 Ų54117.4 Ų117.456%0.55779%0.79SS**PPolyproline II helixtrans-64.1155.2179.100000112.9A281A281-G283 PolarHBondContact O-N 2.74Å
284P37.5Very low40.9Very low125 Ų125117 Ų11781%0.81279%0.793SS**PPolyproline II helixtrans-64.4146.6-179.325.9-32.6000111.5
285P45.5Very low40.3Very low128 Ų128116.9 Ų116.983%0.83179%0.792SS**PPolyproline II helixtrans-58.1139.2174.4-22.733.1000111.8
286G37.5Very low40.1Very low73 Ų73116.9 Ų116.975%0.75379%0.792SS**PPolyproline II helixtrans-63.1147.1177.700000112.6
287A38Very low39.8Very low104 Ų104117 Ų11786%0.8679%0.793SS**PPolyproline II helixtrans-60140.8-18000000112.1G289A287-G289 PolarHBondContact O-N 2.73Å
288K38.9Very low39.2Very low199 Ų199117.4 Ų117.487%0.86580%0.797SS**PPolyproline II helixtrans-66.9123.2175.6-172.5-179.6-179.3-176.90109.1
289G40.7Very low38.9Very low66 Ų66116 Ų11668%0.6880%0.796SS**PPolyproline II helixtrans-66.6146.5179.800000113A287A287-G289 PolarHBondContact O-N 2.73Å
290D35.6Very low38.6Very low164 Ų164115.2 Ų115.288%0.87779%0.79SS**PPolyproline II helixtrans-63.8144.9179.5-65.2-38.9000112.1G292D290-G292 PolarHBondContact O-N 2.84Å
291Q36.8Very low38Very low198 Ų198115.2 Ų115.293%0.92579%0.791SS**PPolyproline II helixtrans-73.8122.9-180-148.5173.64.500109.5
292G38.6Very low37.9Very low58 Ų58119.8 Ų119.860%0.59880%0.795SS**PPolyproline II helixtrans-63.1156.9-179.800000113.1D290D290-G292 PolarHBondContact O-N 2.84Å
293P36.8Very low38.2Very low134 Ų134122.2 Ų122.287%0.8779%0.792SS**PPolyproline II helixtrans-60.5146.5-17925.2-33.3000111.7G295P293-G295 PolarHBondContact O-N 2.97Å
294A39.2Very low38Very low103 Ų103122.2 Ų122.285%0.85179%0.791SS**PPolyproline II helixtrans-60.1135176.600000111
295G32.9Very low37.9Very low60 Ų60124.3 Ų124.362%0.61980%0.796SS**PPolyproline II helixtrans-67.6156.7178.900000112.8P293P293-G295 PolarHBondContact O-N 2.97Å
296P36.3Very low37.6Very low123 Ų123125.7 Ų125.780%0.79979%0.791SS**PPolyproline II helixtrans-62.7148.2176.626.1-32.7000111.3G298P296-G298 PolarHBondContact O-N 2.74Å
297P44Very low38.3Very low131 Ų131130.3 Ų130.385%0.85179%0.793SS**PPolyproline II helixtrans-55.5133.6175.5-24.934.1000112
298G32.7Very low39.4Very low74 Ų74128 Ų12876%0.76377%0.774SS**PPolyproline II helixtrans-64.7145.5179.600000112.6P296P296-G298 PolarHBondContact O-N 2.74Å
299A36.5Very low41.8Very low104 Ų104122 Ų12286%0.8675%0.751SS**PPolyproline II helixtrans-62.2139.7177.100000111.3G301A299-G301 PolarHBondContact O-N 3.14Å
300K38.8Very low44.5Very low178 Ų178119 Ų11977%0.77472%0.72SS**PPolyproline II helixtrans-62.4116177.5-174.8-179.7178.6-173.80109.5
301G33.3Very low47.4Very low69 Ų69115.9 Ų115.971%0.71170%0.696SS**PPolyproline II helixtrans-71136.1177.800000112.4A299A299-G301 PolarHBondContact O-N 3.14Å
302E36.1Very low50.3Low198 Ų198106.9 Ų106.993%0.92565%0.654SS**PPolyproline II helixtrans-67.8125.4169.1-66.7176.8150.500109.3G304E302-G304 PolarHBondContact O-N 3.48Å
303R47.3Very low53.1Low224 Ų224106.2 Ų106.285%0.84564%0.638SS**  trans-80.3105.2176.8-178.7-175.6-65.9166.9-0.5108
304G34.7Very low55.9Low53 Ų53104.4 Ų104.455%0.54663%0.627SS.*  trans-61.9143174.200000113.3E302 Q306E302-G304 PolarHBondContact O-N 3.48Å; G304-Q306 PolarHBondContact O-N 3.49Å
305D36.3Very low58.4Low169 Ų169104.8 Ų104.890%0.90462%0.623SS**  trans-4.976.8157.3-50.5-30.9000116.1
306Q38.6Very low61.2Low158 Ų158104.1 Ų104.174%0.73862%0.616SS**  trans-69.6142.8141.4-61.1-73.8-57.500105.5G304 A308G304-Q306 PolarHBondContact O-N 3.49Å; Q306-A308 VanDerWaalsContact C-N 3.28Å; Q306-A308 PolarHBondContact O-N 2.76Å
307E53Low64.1Low169 Ų169100.6 Ų100.679%0.7959%0.594SS**  trans-54.496.5171.6-77.1-172.1141.400108.9N309E307-N309 PolarHBondContact O-N 3.16Å; E307-N309 VanDerWaalsContact O-N 3.14Å
308A61.4Low66.7Low56 Ų5699.4 Ų99.446%0.46357%0.573SS.*  trans-68.1119.1-173.200000107.5Q306 V310 W329Q306-A308 VanDerWaalsContact C-N 3.28Å; Q306-A308 PolarHBondContact O-N 2.76Å; A308-V310 WeakPolarHBondContact CB-O 3.27Å; A308-V310 PolarHBondContact O-N 3.19Å; A308-V310 VanDerWaalsContact O-N 3.12Å; A308-W329 WeakPolarHBondContact O-CH2 3.42Å
309N89.5Confident69.8Low72 Ų7296.1 Ų96.139%0.38554%0.538SS..SBendtrans-73.35.2174.9-67.1-34.9000112.1E307 V323 K324E307-N309 PolarHBondContact O-N 3.16Å; E307-N309 VanDerWaalsContact O-N 3.14Å; N309-V323 CarbonylContact O-C 3.37Å; N309-V323 VanDerWaalsContact O-CA 3.24Å; N309-V323 WeakPolarHBondContact O-CA 3.49Å; N309-V323 VanDerWaalsContact O-CG1 3.31Å; N309-V323 WeakPolarHBondContact O-CG1 3.38Å; N309-K324 PolarHBondContact O-N 3.1Å
310V95.7Very high72.8Confident3 Ų392.6 Ų92.62%0.01850%0.503CS..EExtended strand (participates in β ladder)trans-137.6141.3-178.6178.70000109.1A308 V321 E322 V323 I345 M348 L349 I381A308-V310 WeakPolarHBondContact CB-O 3.27Å; A308-V310 PolarHBondContact O-N 3.19Å; A308-V310 VanDerWaalsContact O-N 3.12Å; V310-V321 HydrophobicContact CG1-CG1 4.31Å; V310-E322 CarbonylContact C-O 3.52Å; V310-E322 WeakPolarHBondContact CA-O 3.35Å; V310-V323 HydrophobicContact CG2-CG1 4.45Å; V310-V323 HydrophobicContact CG2-CG2 4.29Å; V310-I345 HydrophobicContact CG1-CD1 3.75Å; V310-I345 HydrophobicContact CG1-CG2 3.95Å; V310-I345 HydrophobicContact CG2-CD1 4.14Å; V310-M348 HydrophobicContact CB-CE 4.43Å; V310-M348 HydrophobicContact CG2-CE 3.47Å; V310-M348 VanDerWaalsContact CG2-CE 3.47Å; V310-M348 HydrophobicContact CG2-SD 3.85Å; V310-L349 HydrophobicContact CG1-CD1 4.38Å; V310-L349 HydrophobicContact CG1-CD2 4.32Å; V310-L349 HydrophobicContact CG1-CG 4.31Å; V310-L349 WeakPolarHBondContact O-CD2 3.43Å; V310-I381 HydrophobicContact CG2-CG2 3.97Å
311R96.5Very high75.6Confident99 Ų9984.1 Ų84.137%0.37447%0.466SS..EExtended strand (participates in β ladder)trans-143.3159.6171.171.6-176.4-177.9-177.60.1111.1V313 E322 W329R311-V313 HydrophobicContact CG-CG2 4.22Å; R311-E322 HydrophobicContact CG-CB 3.88Å; R311-E322 IonicContact CZ-OE2 3.21Å; R311-E322 PolarHBondContact N-O 3.19Å; R311-E322 IonicContact NE-OE2 2.89Å; R311-E322 PolarHBondContact NE-OE2 3.38Å; R311-E322 IonicContact NH2-OE2 2.68Å; R311-E322 PolarHBondContact NH2-OE2 2.98Å; R311-E322 PolarHBondContact O-N 2.93Å; R311-W329 HydrophobicContact CB-CH2 3.93Å; R311-W329 HydrophobicContact CB-CZ3 4.04Å; R311-W329 HydrophobicContact CG-CE3 3.95Å; R311-W329 HydrophobicContact CG-CH2 3.81Å; R311-W329 HydrophobicContact CG-CZ2 4.42Å; R311-W329 HydrophobicContact CG-CZ3 3.55Å
312L97.9Very high78.7Confident10 Ų1081.4 Ų81.45%0.05244%0.435CS..EExtended strand (participates in β ladder)trans-100.2140.5166.4-57.5-175.2000110.5P314 S315 R320 V321 I345 L349 V402L312-P314 CarbonylContact C-O 3.59Å; L312-P314 CarbonylContact O-C 3.56Å; L312-S315 WeakPolarHBondContact O-CA 3.41Å; L312-S315 PolarHBondContact O-N 3.28Å; L312-R320 CarbonylContact C-O 3.58Å; L312-R320 VanDerWaalsContact CA-O 3.29Å; L312-R320 WeakPolarHBondContact CA-O 3.49Å; L312-V321 HydrophobicContact CD2-CG2 4.06Å; L312-I345 HydrophobicContact CD2-CG2 4.32Å; L312-L349 HydrophobicContact CD1-CD1 3.92Å; L312-L349 HydrophobicContact CD2-CD1 3.79Å; L312-L349 HydrophobicContact CG-CD1 3.54Å; L312-V402 HydrophobicContact CD1-CG1 4.19Å; L312-V402 HydrophobicContact CD2-CG1 3.68Å
313V97.8Very high81.6Confident44 Ų4472 Ų7227%0.26739%0.391SS..EExtended strand (participates in β ladder)trans-123.2117.6173-175.50000109.9R311 R320 E322R311-V313 HydrophobicContact CG-CG2 4.22Å; V313-R320 PolarHBondContact N-O 3.41Å; V313-R320 WeakPolarHBondContact O-CB 3.48Å; V313-R320 PolarHBondContact O-N 2.83Å; V313-E322 VanDerWaalsContact CG2-CD 3.5Å; V313-E322 HydrophobicContact CG2-CG 4.21Å; V313-E322 WeakPolarHBondContact CG2-OE2 3.19Å
314P95.8Very high83.8Confident96 Ų9664.2 Ų64.262%0.62336%0.363SS*.SBendcis-62.3161.5-9.831-36.1000111.8L312L312-P314 CarbonylContact C-O 3.59Å; L312-P314 CarbonylContact O-C 3.56Å
315S90.8Very high86.4Confident111 Ų11162.4 Ų62.478%0.77634%0.341SS*.SBendtrans-66147.7176.656.40000111.4L312L312-S315 WeakPolarHBondContact O-CA 3.41Å; L312-S315 PolarHBondContact O-N 3.28Å
316G93.4Very high88.8Confident45 Ų4562.2 Ų62.246%0.46434%0.34SS..SBendtrans146.2-149.3179.400000110.7
317S96.7Very high91.2Very high50 Ų5057.4 Ų57.435%0.3533%0.334SS..SBendtrans-94.1-3.4172.461.30000113.3Q403 C404S317-Q403 CarbonylContact O-C 3.54Å; S317-Q403 WeakPolarHBondContact O-CA 3.44Å; S317-Q403 PolarHBondContact O-NE2 2.66Å; S317-Q403 VanDerWaalsContact O-NE2 3.07Å; S317-Q403 PolarHBondContact OG-NE2 3.35Å; S317-C404 PolarHBondContact O-N 3.49Å
318R97.9Very high93Very high106 Ų10651.6 Ų51.640%0.432%0.315SS..EExtended strand (participates in β ladder)trans-139.6131.3178.1-164.5-175.2170.585.70.9110.5D356 F358 V402 Q403R318-D356 IonicContact NH1-OD2 2.83Å; R318-F358 HydrophobicContact CG-CE1 3.71Å; R318-F358 HydrophobicContact CG-CZ 3.85Å; R318-F358 VanDerWaalsContact CZ-CD1 3.48Å; R318-F358 VanDerWaalsContact NH2-CG 3.34Å; R318-V402 VanDerWaalsContact CA-O 3.31Å; R318-V402 WeakPolarHBondContact CA-O 3.49Å; R318-Q403 VanDerWaalsContact CD-OE1 3.22Å; R318-Q403 HydrophobicContact CG-CB 4.34Å; R318-Q403 VanDerWaalsContact CG-OE1 3.28Å
319G98.2Very high94.7Very high4 Ų452.7 Ų52.74%0.04131%0.307CS..EExtended strand (participates in β ladder)trans174.5176.5173.800000113.4G401 V402G319-G401 WeakPolarHBondContact O-CA 3.3Å; G319-V402 PolarHBondContact N-O 2.88Å; G319-V402 VanDerWaalsContact N-O 3.16Å; G319-V402 PolarHBondContact O-N 3.22Å
320R98.6Very high95.1Very high30 Ų3049.3 Ų49.311%0.11329%0.289CS..EExtended strand (participates in β ladder)trans-64.5136.4169.4-176.517458.3-106.3-2.3109.5L312 V313 E322 A360 P361 D399 A400L312-R320 CarbonylContact C-O 3.58Å; L312-R320 VanDerWaalsContact CA-O 3.29Å; L312-R320 WeakPolarHBondContact CA-O 3.49Å; V313-R320 PolarHBondContact N-O 3.41Å; V313-R320 WeakPolarHBondContact O-CB 3.48Å; V313-R320 PolarHBondContact O-N 2.83Å; R320-E322 IonicContact CZ-OE1 3.68Å; R320-E322 IonicContact NE-OE1 2.96Å; R320-E322 PolarHBondContact NE-OE1 3.46Å; R320-E322 IonicContact NH2-OE1 3.19Å; R320-E322 PolarHBondContact NH2-OE1 2.97Å; R320-A360 HydrophobicContact CB-CB 3.61Å; R320-A360 HydrophobicContact CG-CB 3.84Å; R320-P361 PolarHBondContact NH1-O 2.95Å; R320-D399 HydrophobicContact CG-CB 4.19Å; R320-A400 WeakPolarHBondContact CA-O 3.49Å
321V98.4Very high95.2Very high0 Ų049.2 Ų49.20%029%0.288CS..EExtended strand (participates in β ladder)trans-81123176.4-176.20000109.1V310 L312 V323 V332 F337 I345 A400 V402V310-V321 HydrophobicContact CG1-CG1 4.31Å; L312-V321 HydrophobicContact CD2-CG2 4.06Å; V321-V323 HydrophobicContact CG1-CG2 4.23Å; V321-V332 HydrophobicContact CB-CG2 4.4Å; V321-V332 HydrophobicContact CG1-CG2 3.96Å; V321-F337 HydrophobicContact CG2-CZ 4.19Å; V321-I345 HydrophobicContact CG1-CD1 3.63Å; V321-I345 HydrophobicContact CG1-CG1 4.06Å; V321-I345 HydrophobicContact CG1-CG2 4.14Å; V321-I345 HydrophobicContact CG2-CG2 4.08Å; V321-A400 PolarHBondContact N-O 3.45Å; V321-V402 HydrophobicContact CG2-CB 4.28Å; V321-V402 HydrophobicContact CG2-CG1 3.94Å
322E98.3Very high95.3Very high12 Ų1244.5 Ų44.56%0.05627%0.27CS..EExtended strand (participates in β ladder)trans-121.4137.9169.6-70.6-179.2-169.500110V310 R311 V313 R320 W329 G330 T331V310-E322 CarbonylContact C-O 3.52Å; V310-E322 WeakPolarHBondContact CA-O 3.35Å; R311-E322 HydrophobicContact CG-CB 3.88Å; R311-E322 IonicContact CZ-OE2 3.21Å; R311-E322 PolarHBondContact N-O 3.19Å; R311-E322 IonicContact NE-OE2 2.89Å; R311-E322 PolarHBondContact NE-OE2 3.38Å; R311-E322 IonicContact NH2-OE2 2.68Å; R311-E322 PolarHBondContact NH2-OE2 2.98Å; R311-E322 PolarHBondContact O-N 2.93Å; V313-E322 VanDerWaalsContact CG2-CD 3.5Å; V313-E322 HydrophobicContact CG2-CG 4.21Å; V313-E322 WeakPolarHBondContact CG2-OE2 3.19Å; R320-E322 IonicContact CZ-OE1 3.68Å; R320-E322 IonicContact NE-OE1 2.96Å; R320-E322 PolarHBondContact NE-OE1 3.46Å; R320-E322 IonicContact NH2-OE1 3.19Å; R320-E322 PolarHBondContact NH2-OE1 2.97Å; E322-W329 HydrophobicContact CB-CE3 4.07Å; E322-W329 WeakPolarHBondContact O-CZ3 3.38Å; E322-G330 CarbonylContact C-O 3.22Å; E322-G330 WeakPolarHBondContact CA-O 3.04Å; E322-T331 HydrophobicContact CG-CG2 4.14Å
323V96.8Very high95.3Very high0 Ų044 Ų440%027%0.268CS..EExtended strand (participates in β ladder)trans-121.1142.9-176.3-173.40000109.2N309 V310 V321 V325 G330 V332 L369 I381 M382N309-V323 CarbonylContact O-C 3.37Å; N309-V323 VanDerWaalsContact O-CA 3.24Å; N309-V323 WeakPolarHBondContact O-CA 3.49Å; N309-V323 VanDerWaalsContact O-CG1 3.31Å; N309-V323 WeakPolarHBondContact O-CG1 3.38Å; V310-V323 HydrophobicContact CG2-CG1 4.45Å; V310-V323 HydrophobicContact CG2-CG2 4.29Å; V321-V323 HydrophobicContact CG1-CG2 4.23Å; V323-V325 HydrophobicContact CG1-CG2 4.49Å; V323-G330 PolarHBondContact N-O 3.39Å; V323-G330 PolarHBondContact O-N 3.4Å; V323-V332 HydrophobicContact CG2-CG2 3.62Å; V323-L369 HydrophobicContact CG2-CD1 4.31Å; V323-I381 HydrophobicContact CG1-CG2 4.09Å; V323-I381 HydrophobicContact CG2-CG2 4.29Å; V323-M382 HydrophobicContact CG1-CE 3.59Å
324K93.9Very high95.3Very high61 Ų6143.6 Ų43.627%0.26526%0.264SS..EExtended strand (participates in β ladder)trans-100117.9-179.5-161.2-178.1-171.1-173.80110.1N309 G327 A328 W329N309-K324 PolarHBondContact O-N 3.1Å; K324-G327 WeakPolarHBondContact CE-O 3.11Å; K324-A328 WeakPolarHBondContact CA-O 3.37Å; K324-W329 HydrophobicContact CB-CD2 4.01Å; K324-W329 HydrophobicContact CB-CE3 3.84Å; K324-W329 HydrophobicContact CB-CH2 3.98Å; K324-W329 HydrophobicContact CB-CZ2 4.15Å; K324-W329 HydrophobicContact CB-CZ3 3.82Å; K324-W329 HydrophobicContact CD-CZ2 4.01Å; K324-W329 HydrophobicContact CG-CD2 4.2Å; K324-W329 HydrophobicContact CG-CZ2 4.39Å
325V89.3Confident95.4Very high15 Ų1541.7 Ų41.79%0.09125%0.249CC..EExtended strand (participates in β ladder)trans-123.7126178.1-1760000109.3V323 G327 A328 W368 M382 V389V323-V325 HydrophobicContact CG1-CG2 4.49Å; V325-G327 PolarHBondContact O-N 3.42Å; V325-G327 VanDerWaalsContact O-N 3.14Å; V325-A328 PolarHBondContact N-O 2.87Å; V325-A328 PolarHBondContact O-N 2.93Å; V325-W368 HydrophobicContact CB-CD2 3.86Å; V325-W368 HydrophobicContact CB-CE3 4.18Å; V325-W368 HydrophobicContact CB-CG 4.24Å; V325-W368 HydrophobicContact CB-CH2 4.45Å; V325-W368 HydrophobicContact CB-CZ2 4.16Å; V325-W368 HydrophobicContact CB-CZ3 4.43Å; V325-W368 HydrophobicContact CG1-CE3 4.38Å; V325-W368 HydrophobicContact CG1-CZ3 4.42Å; V325-W368 HydrophobicContact CG2-CB 4.07Å; V325-W368 HydrophobicContact CG2-CD2 3.77Å; V325-W368 HydrophobicContact CG2-CE3 4.28Å; V325-W368 HydrophobicContact CG2-CG 3.63Å; V325-M382 HydrophobicContact CG2-CE 3.37Å; V325-V389 HydrophobicContact CG1-CG1 3.73Å; V325-V389 HydrophobicContact CG2-CG1 4.26Å
326N86.9Confident95.6Very high165 Ų16541.6 Ų41.688%0.88224%0.239SC*.THydrogen-bonded Turntrans51.236.7-179.3-61.5-45000113.4A328N326-A328 VanDerWaalsContact C-N 3.33Å; N326-A328 PolarHBondContact O-N 3.26Å
327G88.5Confident95.9Very high58 Ų5840.3 Ų40.360%0.59822%0.221SC*.THydrogen-bonded Turntrans86.3-8.5-179.900000115.5K324 V325K324-G327 WeakPolarHBondContact CE-O 3.11Å; V325-G327 PolarHBondContact O-N 3.42Å; V325-G327 VanDerWaalsContact O-N 3.14Å
328A91.3Very high95.8Very high47 Ų4739 Ų3939%0.38822%0.215SC..EExtended strand (participates in β ladder)trans-108.5134.9-177.500000112.2K324 V325 N326 W368K324-A328 WeakPolarHBondContact CA-O 3.37Å; V325-A328 PolarHBondContact N-O 2.87Å; V325-A328 PolarHBondContact O-N 2.93Å; N326-A328 VanDerWaalsContact C-N 3.33Å; N326-A328 PolarHBondContact O-N 3.26Å; A328-W368 HydrophobicContact CB-CZ2 4.1Å; A328-W368 PolarHBondContact O-NE1 3.42Å
329W96.4Very high95.8Very high79 Ų7936.9 Ų36.930%0.29922%0.215SC..EExtended strand (participates in β ladder)trans-78.3148.2173.8-69.6103.4000111.3A308 R311 E322 K324A308-W329 WeakPolarHBondContact O-CH2 3.42Å; R311-W329 HydrophobicContact CB-CH2 3.93Å; R311-W329 HydrophobicContact CB-CZ3 4.04Å; R311-W329 HydrophobicContact CG-CE3 3.95Å; R311-W329 HydrophobicContact CG-CH2 3.81Å; R311-W329 HydrophobicContact CG-CZ2 4.42Å; R311-W329 HydrophobicContact CG-CZ3 3.55Å; E322-W329 HydrophobicContact CB-CE3 4.07Å; E322-W329 WeakPolarHBondContact O-CZ3 3.38Å; K324-W329 HydrophobicContact CB-CD2 4.01Å; K324-W329 HydrophobicContact CB-CE3 3.84Å; K324-W329 HydrophobicContact CB-CH2 3.98Å; K324-W329 HydrophobicContact CB-CZ2 4.15Å; K324-W329 HydrophobicContact CB-CZ3 3.82Å; K324-W329 HydrophobicContact CD-CZ2 4.01Å; K324-W329 HydrophobicContact CG-CD2 4.2Å; K324-W329 HydrophobicContact CG-CZ2 4.39Å
330G97.4Very high95.8Very high1 Ų138.9 Ų38.91%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-164171.9174.500000110.8E322 V323 K366 W368E322-G330 CarbonylContact C-O 3.22Å; E322-G330 WeakPolarHBondContact CA-O 3.04Å; V323-G330 PolarHBondContact N-O 3.39Å; V323-G330 PolarHBondContact O-N 3.4Å; G330-K366 CarbonylContact C-O 3.51Å; G330-K366 WeakPolarHBondContact CA-O 3.38Å; G330-W368 VanDerWaalsContact N-NE1 3.16Å
331T98.4Very high95.8Very high0 Ų037.6 Ų37.60%022%0.222CC..EExtended strand (participates in β ladder)trans-95.7176.7-171.5590000111.7E322 K366 I367 W368 H396 D399E322-T331 HydrophobicContact CG-CG2 4.14Å; T331-K366 PolarHBondContact N-O 3.49Å; T331-I367 WeakPolarHBondContact OG1-CG1 3.49Å; T331-W368 PolarHBondContact O-N 2.92Å; T331-H396 PolarHBondContact OG1-CE1 3.27Å; T331-H396 PolarHBondContact OG1-ND1 3.42Å; T331-D399 VanDerWaalsContact CB-CG 3.5Å; T331-D399 WeakPolarHBondContact CB-OD1 3.21Å; T331-D399 WeakPolarHBondContact CG2-OD2 3.47Å; T331-D399 PolarHBondContact OG1-OD1 3.37Å
332V98.5Very high95.7Very high0 Ų037.6 Ų37.60%022%0.222CC..EExtended strand (participates in β ladder)trans-122.5135.91781780000106.9V321 V323 F337 L369 L372 D399 A400V321-V332 HydrophobicContact CB-CG2 4.4Å; V321-V332 HydrophobicContact CG1-CG2 3.96Å; V323-V332 HydrophobicContact CG2-CG2 3.62Å; V332-F337 HydrophobicContact CG1-CD2 3.93Å; V332-F337 HydrophobicContact CG1-CE2 3.97Å; V332-L369 WeakPolarHBondContact CA-O 3.33Å; V332-L369 HydrophobicContact CG1-CB 4.1Å; V332-L369 HydrophobicContact CG2-CB 4.26Å; V332-L369 HydrophobicContact CG2-CD1 4.42Å; V332-L372 HydrophobicContact CG1-CD1 3.48Å; V332-L372 VanDerWaalsContact CG1-CD1 3.48Å; V332-D399 CarbonylContact O-C 3.6Å; V332-D399 WeakPolarHBondContact O-CA 3.43Å; V332-A400 HydrophobicContact CB-CB 4.32Å; V332-A400 HydrophobicContact CG1-CB 4.27Å; V332-A400 WeakPolarHBondContact O-CB 3.37Å; V332-A400 PolarHBondContact O-N 3.45Å
333C98.5Very high95.7Very high1 Ų141.2 Ų41.21%0.00724%0.238CC..BIsolated β-bridgetrans-73.5148.6175.1-172.60000111.5D335 I367 L369 D370 C394 E398C333-D335 PolarHBondContact SG-N 3.46Å; C333-I367 HydrophobicContact CB-CG2 4.16Å; C333-L369 PolarHBondContact N-O 2.9Å; C333-D370 HydrophobicContact CB-CB 4.02Å; C333-D370 WeakPolarHBondContact CB-OD1 3.49Å; C333-C394 HydrophobicContact CB-CB 3.7Å; C333-C394 WeakPolarHBondContact CB-SG 3.36Å; C333-C394 WeakPolarHBondContact SG-CB 3.3Å; C333-C394 CovalentContact SG-SG 2.02Å; C333-C394 PolarHBondContact SG-SG 2.91Å; C333-E398 CarbonylContact C-O 3.5Å; C333-E398 WeakPolarHBondContact CA-O 3.17Å
334D98.1Very high95.7Very high34 Ų3441.2 Ų41.218%0.18224%0.238CC..  trans-86.6-5.6178.573.9-9.8000114.2N336 F337 T359 E398 A400D334-N336 PolarHBondContact O-N 3.25Å; D334-N336 VanDerWaalsContact O-N 3.16Å; D334-F337 HydrophobicContact CB-CB 4.43Å; D334-F337 WeakPolarHBondContact O-CB 3.27Å; D334-F337 PolarHBondContact O-N 2.9Å; D334-T359 WeakPolarHBondContact OD2-CB 3.46Å; D334-T359 WeakPolarHBondContact OD2-CG2 3.38Å; D334-T359 PolarHBondContact OD2-OG1 2.89Å; D334-E398 WeakPolarHBondContact CB-O 3.37Å; D334-E398 PolarHBondContact N-O 2.92Å; D334-E398 WeakPolarHBondContact OD1-CB 3.37Å; D334-A400 HydrophobicContact CB-CB 4.03Å
335D97.6Very high95.9Very high57 Ų5738.3 Ų38.331%0.30523%0.225SC..THydrogen-bonded Turntrans-56.3118.9170.2-90.1-1.5000110.4C333 F337 D371C333-D335 PolarHBondContact SG-N 3.46Å; D335-F337 PolarHBondContact O-N 2.83Å; D335-D371 PolarHBondContact O-N 2.71Å
336N95.5Very high96.3Very high108 Ų10837.6 Ų37.658%0.57822%0.221SC*.THydrogen-bonded Turntrans55.213.9-173-67.2-45.4000115.5D334 G338 D371D334-N336 PolarHBondContact O-N 3.25Å; D334-N336 VanDerWaalsContact O-N 3.16Å; N336-G338 PolarHBondContact O-N 3.41Å; N336-G338 VanDerWaalsContact O-N 3.16Å; N336-D371 PolarHBondContact ND2-OD1 3.28Å
337F97.9Very high96.7Very high18 Ų1834 Ų348%0.07920%0.195CC..  trans-75.9104.7178.9-169.8-89.6000111.2V321 V332 D334 D335 D341 T357 L372 A400V321-F337 HydrophobicContact CG2-CZ 4.19Å; V332-F337 HydrophobicContact CG1-CD2 3.93Å; V332-F337 HydrophobicContact CG1-CE2 3.97Å; D334-F337 HydrophobicContact CB-CB 4.43Å; D334-F337 WeakPolarHBondContact O-CB 3.27Å; D334-F337 PolarHBondContact O-N 2.9Å; D335-F337 PolarHBondContact O-N 2.83Å; F337-D341 HydrophobicContact CD2-CB 3.95Å; F337-D341 HydrophobicContact CE2-CB 3.77Å; F337-D341 HydrophobicContact CG-CB 4.49Å; F337-D341 HydrophobicContact CZ-CB 4.19Å; F337-T357 HydrophobicContact CD1-CG2 3.94Å; F337-T357 HydrophobicContact CE1-CG2 3.63Å; F337-L372 HydrophobicContact CD2-CD1 3.97Å; F337-L372 HydrophobicContact CE2-CD1 3.99Å; F337-A400 HydrophobicContact CB-CB 4.22Å; F337-A400 HydrophobicContact CD1-CB 3.72Å; F337-A400 HydrophobicContact CD2-CB 3.81Å; F337-A400 HydrophobicContact CE1-CB 3.96Å; F337-A400 HydrophobicContact CE2-CB 4.07Å; F337-A400 HydrophobicContact CG-CB 3.64Å; F337-A400 HydrophobicContact CZ-CB 4.14Å
338G96.4Very high97Very high22 Ų2233.6 Ų33.623%0.22718%0.178CC..  trans-112179.9-175.900000114.4N336 P340 D341 G342 T357N336-G338 PolarHBondContact O-N 3.41Å; N336-G338 VanDerWaalsContact O-N 3.16Å; G338-P340 VanDerWaalsContact C-N 3.33Å; G338-D341 WeakPolarHBondContact CA-OD2 3.34Å; G338-D341 PolarHBondContact N-OD2 2.99Å; G338-D341 WeakPolarHBondContact O-CB 3.49Å; G338-D341 PolarHBondContact O-N 3.5Å; G338-D341 VanDerWaalsContact O-N 3.1Å; G338-G342 PolarHBondContact O-N 2.74Å; G338-T357 WeakPolarHBondContact O-CG2 3.41Å
339T96.9Very high97.2Very high63 Ų6333.8 Ų33.839%0.38717%0.172SC..Hα-helixtrans-59.4-30.7176.251.10000114.9D341 G342 K343 T357T339-D341 VanDerWaalsContact C-N 3.35Å; T339-G342 PolarHBondContact O-N 2.78Å; T339-K343 VanDerWaalsContact O-CG 3.28Å; T339-K343 WeakPolarHBondContact O-CG 3.05Å; T339-K343 PolarHBondContact O-N 2.78Å; T339-T357 HydrophobicContact CG2-CG2 4.47Å
340P97.8Very high97.1Very high45 Ų4532.9 Ų32.929%0.29219%0.187SC..Hα-helixtrans-59.9-41.9170.5-25.437.2000113.1G338 K343 V344 C374G338-P340 VanDerWaalsContact C-N 3.33Å; P340-K343 WeakPolarHBondContact O-CB 3.47Å; P340-K343 PolarHBondContact O-N 2.56Å; P340-V344 PolarHBondContact O-N 2.02Å; P340-C374 HydrophobicContact CB-CB 4.46Å; P340-C374 VanDerWaalsContact CB-O 3.25Å; P340-C374 WeakPolarHBondContact CB-O 3.5Å
341D98.1Very high97Very high4 Ų435.8 Ų35.82%0.02120%0.2CC..Hα-helixtrans-67-44.8177.6-43.1-68.3000110.4F337 G338 T339 K343 V344 I345 L372 C374F337-D341 HydrophobicContact CD2-CB 3.95Å; F337-D341 HydrophobicContact CE2-CB 3.77Å; F337-D341 HydrophobicContact CG-CB 4.49Å; F337-D341 HydrophobicContact CZ-CB 4.19Å; G338-D341 WeakPolarHBondContact CA-OD2 3.34Å; G338-D341 PolarHBondContact N-OD2 2.99Å; G338-D341 WeakPolarHBondContact O-CB 3.49Å; G338-D341 PolarHBondContact O-N 3.5Å; G338-D341 VanDerWaalsContact O-N 3.1Å; T339-D341 VanDerWaalsContact C-N 3.35Å; D341-K343 VanDerWaalsContact C-N 3.28Å; D341-K343 PolarHBondContact O-N 3.41Å; D341-V344 PolarHBondContact O-N 2.98Å; D341-I345 WeakPolarHBondContact O-CG1 3.34Å; D341-I345 PolarHBondContact O-N 3.33Å; D341-I345 VanDerWaalsContact O-N 3.12Å; D341-L372 HydrophobicContact CB-CB 4.31Å; D341-L372 WeakPolarHBondContact OD1-CB 3.15Å; D341-C374 HydrophobicContact CB-CB 4.4Å; D341-C374 WeakPolarHBondContact OD1-CB 3.17Å; D341-C374 PolarHBondContact OD1-N 3.31Å; D341-C374 PolarHBondContact OD1-SG 3.5Å
342G97.6Very high96.8Very high0 Ų043.1 Ų43.10%023%0.234CC..Hα-helixtrans-55.9-39.9172.500000113.1G338 T339 V344 I345 C346G338-G342 PolarHBondContact O-N 2.74Å; T339-G342 PolarHBondContact O-N 2.78Å; G342-V344 VanDerWaalsContact C-N 3.35Å; G342-V344 PolarHBondContact O-N 2.88Å; G342-I345 PolarHBondContact O-N 2.88Å; G342-C346 WeakPolarHBondContact O-CB 3.37Å; G342-C346 PolarHBondContact O-N 2.94Å; G342-C346 PolarHBondContact O-SG 2.66Å; G342-C346 VanDerWaalsContact O-SG 3.34Å
343K98Very high96.7Very high88 Ų8845.5 Ų45.538%0.38325%0.248SC..Hα-helixtrans-61.9-41.8178.5-78.9170.6-174.5174.20112.1T339 P340 D341 R347 T353 A354T339-K343 VanDerWaalsContact O-CG 3.28Å; T339-K343 WeakPolarHBondContact O-CG 3.05Å; T339-K343 PolarHBondContact O-N 2.78Å; P340-K343 WeakPolarHBondContact O-CB 3.47Å; P340-K343 PolarHBondContact O-N 2.56Å; D341-K343 VanDerWaalsContact C-N 3.28Å; D341-K343 PolarHBondContact O-N 3.41Å; K343-R347 VanDerWaalsContact O-CB 3.24Å; K343-R347 WeakPolarHBondContact O-CB 3.37Å; K343-R347 PolarHBondContact O-N 3.27Å; K343-T353 WeakPolarHBondContact CG-OG1 3.48Å; K343-A354 HydrophobicContact CG-CB 4.32Å
344V97.6Very high96.6Very high0 Ų045.8 Ų45.80%025%0.251CS..Hα-helixtrans-61.4-51.6176175.70000109.6P340 D341 G342 C346 R347 M348 C374 E378 I381P340-V344 PolarHBondContact O-N 2.02Å; D341-V344 PolarHBondContact O-N 2.98Å; G342-V344 VanDerWaalsContact C-N 3.35Å; G342-V344 PolarHBondContact O-N 2.88Å; V344-C346 PolarHBondContact O-N 2.69Å; V344-R347 PolarHBondContact O-N 3.48Å; V344-M348 HydrophobicContact CG1-CG 4.48Å; V344-M348 HydrophobicContact CG1-SD 4.09Å; V344-M348 VanDerWaalsContact O-CG 3.31Å; V344-M348 WeakPolarHBondContact O-CG 3.17Å; V344-M348 PolarHBondContact O-N 3.37Å; V344-C374 HydrophobicContact CG2-CB 4.04Å; V344-E378 HydrophobicContact CG1-CB 4.27Å; V344-E378 WeakPolarHBondContact CG1-O 3.25Å; V344-E378 HydrophobicContact CG2-CB 3.98Å; V344-I381 HydrophobicContact CB-CD1 4.48Å; V344-I381 HydrophobicContact CG1-CB 4.44Å; V344-I381 HydrophobicContact CG1-CD1 4.28Å
345I97.3Very high96.6Very high0 Ų048.1 Ų48.10%027%0.266CS..Hα-helixtrans-56.1-52.4177.8-66.5-64.9000112.1V310 L312 V321 D341 G342 R347 M348 L349 I381 V402V310-I345 HydrophobicContact CG1-CD1 3.75Å; V310-I345 HydrophobicContact CG1-CG2 3.95Å; V310-I345 HydrophobicContact CG2-CD1 4.14Å; L312-I345 HydrophobicContact CD2-CG2 4.32Å; V321-I345 HydrophobicContact CG1-CD1 3.63Å; V321-I345 HydrophobicContact CG1-CG1 4.06Å; V321-I345 HydrophobicContact CG1-CG2 4.14Å; V321-I345 HydrophobicContact CG2-CG2 4.08Å; D341-I345 WeakPolarHBondContact O-CG1 3.34Å; D341-I345 PolarHBondContact O-N 3.33Å; D341-I345 VanDerWaalsContact O-N 3.12Å; G342-I345 PolarHBondContact O-N 2.88Å; I345-R347 VanDerWaalsContact C-N 3.28Å; I345-R347 PolarHBondContact O-N 3.16Å; I345-M348 WeakPolarHBondContact O-CB 3.28Å; I345-M348 PolarHBondContact O-N 3.02Å; I345-L349 HydrophobicContact CG2-CD1 3.83Å; I345-L349 WeakPolarHBondContact O-CG 3.44Å; I345-L349 PolarHBondContact O-N 3.46Å; I345-I381 HydrophobicContact CD1-CB 3.86Å; I345-I381 HydrophobicContact CD1-CD1 3.71Å; I345-I381 HydrophobicContact CD1-CG1 3.67Å; I345-I381 HydrophobicContact CD1-CG2 4.35Å; I345-I381 HydrophobicContact CG1-CD1 3.92Å; I345-I381 HydrophobicContact CG1-CG1 4.43Å; I345-V402 HydrophobicContact CG2-CG1 3.94Å
346C97.4Very high96.6Very high0 Ų048.8 Ų48.80%027%0.27CS..Hα-helixtrans-61.5-38.5-178.7-730000111.8G342 V344 L349 G350 F351 T353 A354 V402 C404G342-C346 WeakPolarHBondContact O-CB 3.37Å; G342-C346 PolarHBondContact O-N 2.94Å; G342-C346 PolarHBondContact O-SG 2.66Å; G342-C346 VanDerWaalsContact O-SG 3.34Å; V344-C346 PolarHBondContact O-N 2.69Å; C346-L349 CarbonylContact O-C 3.57Å; C346-L349 PolarHBondContact O-N 3.48Å; C346-G350 PolarHBondContact O-N 3.42Å; C346-F351 HydrophobicContact CB-CB 4.06Å; C346-F351 WeakPolarHBondContact O-CA 3.39Å; C346-F351 WeakPolarHBondContact O-CB 3.38Å; C346-F351 PolarHBondContact O-N 3.33Å; C346-T353 WeakPolarHBondContact CB-O 3.45Å; C346-A354 HydrophobicContact CB-CB 4.49Å; C346-V402 VanDerWaalsContact SG-CG2 3.52Å; C346-C404 WeakPolarHBondContact CA-SG 3.36Å; C346-C404 HydrophobicContact CB-CB 3.72Å; C346-C404 WeakPolarHBondContact CB-SG 3.38Å; C346-C404 WeakPolarHBondContact SG-CA 3.47Å; C346-C404 WeakPolarHBondContact SG-CB 3.1Å; C346-C404 CovalentContact SG-SG 2.04Å; C346-C404 PolarHBondContact SG-SG 3.03Å
347R95.8Very high96.8Very high90 Ų9045.1 Ų45.134%0.3425%0.252SS..Hα-helixtrans-69.5-37.4176.6-172.4170.765.3177.85.6112.8K343 V344 I345 L349 G350 F351 A377 E378K343-R347 VanDerWaalsContact O-CB 3.24Å; K343-R347 WeakPolarHBondContact O-CB 3.37Å; K343-R347 PolarHBondContact O-N 3.27Å; V344-R347 PolarHBondContact O-N 3.48Å; I345-R347 VanDerWaalsContact C-N 3.28Å; I345-R347 PolarHBondContact O-N 3.16Å; R347-L349 PolarHBondContact O-N 3.41Å; R347-G350 PolarHBondContact O-N 2.95Å; R347-G350 VanDerWaalsContact O-N 3.11Å; R347-F351 WeakPolarHBondContact CA-O 3.29Å; R347-A377 PolarHBondContact NH2-O 2.98Å; R347-E378 PolarHBondContact NH2-O 3.06Å
348M94.4Very high96.8Very high49 Ų4946.3 Ų46.324%0.24126%0.257CS..Hα-helixtrans-60.3-34.7172.1-70.317579.600111.5V310 V344 I345 G350 L379 D380 I381V310-M348 HydrophobicContact CB-CE 4.43Å; V310-M348 HydrophobicContact CG2-CE 3.47Å; V310-M348 VanDerWaalsContact CG2-CE 3.47Å; V310-M348 HydrophobicContact CG2-SD 3.85Å; V344-M348 HydrophobicContact CG1-CG 4.48Å; V344-M348 HydrophobicContact CG1-SD 4.09Å; V344-M348 VanDerWaalsContact O-CG 3.31Å; V344-M348 WeakPolarHBondContact O-CG 3.17Å; V344-M348 PolarHBondContact O-N 3.37Å; I345-M348 WeakPolarHBondContact O-CB 3.28Å; I345-M348 PolarHBondContact O-N 3.02Å; M348-G350 VanDerWaalsContact C-N 3.3Å; M348-G350 PolarHBondContact O-N 3.06Å; M348-L379 WeakPolarHBondContact CG-O 3.18Å; M348-D380 HydrophobicContact CE-CB 4.27Å; M348-I381 HydrophobicContact CE-CG2 4.32Å; M348-I381 HydrophobicContact SD-CB 3.92Å; M348-I381 HydrophobicContact SD-CG2 4.19Å; M348-I381 PolarHBondContact SD-N 2.89Å
349L94.8Very high96.9Very high50 Ų5049.2 Ų49.226%0.26227%0.27SS..THydrogen-bonded Turntrans-83.31.3177-65165.9000114.1V310 L312 I345 C346 R347 F351V310-L349 HydrophobicContact CG1-CD1 4.38Å; V310-L349 HydrophobicContact CG1-CD2 4.32Å; V310-L349 HydrophobicContact CG1-CG 4.31Å; V310-L349 WeakPolarHBondContact O-CD2 3.43Å; L312-L349 HydrophobicContact CD1-CD1 3.92Å; L312-L349 HydrophobicContact CD2-CD1 3.79Å; L312-L349 HydrophobicContact CG-CD1 3.54Å; I345-L349 HydrophobicContact CG2-CD1 3.83Å; I345-L349 WeakPolarHBondContact O-CG 3.44Å; I345-L349 PolarHBondContact O-N 3.46Å; C346-L349 CarbonylContact O-C 3.57Å; C346-L349 PolarHBondContact O-N 3.48Å; R347-L349 PolarHBondContact O-N 3.41Å; L349-F351 HydrophobicContact CB-CD2 3.87Å; L349-F351 HydrophobicContact CB-CE2 4.11Å
350G94.7Very high96.9Very high60 Ų6046.4 Ų46.462%0.61925%0.254SS*.THydrogen-bonded Turntrans90.42.2176.300000116C346 R347 M348C346-G350 PolarHBondContact O-N 3.42Å; R347-G350 PolarHBondContact O-N 2.95Å; R347-G350 VanDerWaalsContact O-N 3.11Å; M348-G350 VanDerWaalsContact C-N 3.3Å; M348-G350 PolarHBondContact O-N 3.06Å
351F95.7Very high96.9Very high62 Ų6248.6 Ų48.627%0.27227%0.268SS..  trans-79.9168.1172.4-62.4-84.8000111.8C346 R347 L349 C404C346-F351 HydrophobicContact CB-CB 4.06Å; C346-F351 WeakPolarHBondContact O-CA 3.39Å; C346-F351 WeakPolarHBondContact O-CB 3.38Å; C346-F351 PolarHBondContact O-N 3.33Å; R347-F351 WeakPolarHBondContact CA-O 3.29Å; L349-F351 HydrophobicContact CB-CD2 3.87Å; L349-F351 HydrophobicContact CB-CE2 4.11Å; F351-C404 HydrophobicContact CB-CB 3.67Å; F351-C404 HydrophobicContact CD1-CB 3.77Å; F351-C404 HydrophobicContact CD2-CB 3.52Å; F351-C404 HydrophobicContact CE1-CB 4.28Å; F351-C404 HydrophobicContact CE2-CB 4.07Å; F351-C404 HydrophobicContact CG-CB 3.36Å; F351-C404 HydrophobicContact CZ-CB 4.42Å
352Q94.1Very high96.9Very high155 Ų15552.6 Ų52.672%0.72429%0.294SS*.SBendtrans-81.8-40.2-178.4-60.2-172.324.400111.9A405Q352-A405 PolarHBondContact N-O 3.18Å
353T96.4Very high96.8Very high49 Ų4953 Ų5330%0.30130%0.298SS..  trans-157.7168.1-175.5-171.20000111.2K343 C346 C404 A405K343-T353 WeakPolarHBondContact CG-OG1 3.48Å; C346-T353 WeakPolarHBondContact CB-O 3.45Å; T353-C404 WeakPolarHBondContact O-CA 3.47Å; T353-A405 PolarHBondContact N-O 3.24Å; T353-A405 PolarHBondContact O-N 3.45Å
354A97.6Very high96.7Very high7 Ų754.4 Ų54.46%0.05831%0.314CS..EExtended strand (participates in β ladder)trans-88.8139.2157.600000110.1K343 C346 V402 Q403K343-A354 HydrophobicContact CG-CB 4.32Å; C346-A354 HydrophobicContact CB-CB 4.49Å; A354-V402 HydrophobicContact CB-CG2 3.58Å; A354-Q403 CarbonylContact C-O 3.48Å; A354-Q403 VanDerWaalsContact CA-O 3.29Å; A354-Q403 WeakPolarHBondContact CA-O 3.31Å
355T97.6Very high96.5Very high83 Ų8357.6 Ų57.651%0.50935%0.347SS..EExtended strand (participates in β ladder)trans-100.3-23.5172.156.90000112.2Q403 A405T355-Q403 PolarHBondContact N-O 3.46Å; T355-Q403 WeakPolarHBondContact OG1-CG 3.49Å; T355-Q403 PolarHBondContact OG1-O 2.76Å; T355-A405 HydrophobicContact CG2-CB 3.5Å
356D97.9Very high96.5Very high72 Ų7262.3 Ų62.339%0.38537%0.367SS..EExtended strand (participates in β ladder)trans-158.3155.9-176.3-169.330.6000111.5R318 V402 Q403R318-D356 IonicContact NH1-OD2 2.83Å; D356-V402 WeakPolarHBondContact O-CG2 3.43Å; D356-Q403 HydrophobicContact CB-CB 3.95Å; D356-Q403 PolarHBondContact O-N 2.98Å
357T98.2Very high96.5Very high31 Ų3162.9 Ų62.919%0.1937%0.37CS..EExtended strand (participates in β ladder)trans-132.2145.6173.453.10000109.5F337 G338 T339 G401 V402F337-T357 HydrophobicContact CD1-CG2 3.94Å; F337-T357 HydrophobicContact CE1-CG2 3.63Å; G338-T357 WeakPolarHBondContact O-CG2 3.41Å; T339-T357 HydrophobicContact CG2-CG2 4.47Å; T357-G401 WeakPolarHBondContact CA-O 3.39Å; T357-V402 HydrophobicContact CG2-CG2 4.24Å
358F98.3Very high96.6Very high43 Ų4359.8 Ų59.819%0.18936%0.359CS..EExtended strand (participates in β ladder)trans-154156.4-173.561.6-85000111.9R318 A360 G401R318-F358 HydrophobicContact CG-CE1 3.71Å; R318-F358 HydrophobicContact CG-CZ 3.85Å; R318-F358 VanDerWaalsContact CZ-CD1 3.48Å; R318-F358 VanDerWaalsContact NH2-CG 3.34Å; F358-A360 HydrophobicContact CD2-CB 4.36Å; F358-A360 HydrophobicContact CE2-CB 3.9Å; F358-A360 PolarHBondContact O-N 3.48Å; F358-G401 PolarHBondContact N-O 2.86Å; F358-G401 WeakPolarHBondContact O-CA 3.27Å; F358-G401 PolarHBondContact O-N 3.4Å
359T98.4Very high96.7Very high82 Ų8257.5 Ų57.550%0.50335%0.347SS..EExtended strand (participates in β ladder)trans-68.1113.1166-45.30000109.5D334 S397D334-T359 WeakPolarHBondContact OD2-CB 3.46Å; D334-T359 WeakPolarHBondContact OD2-CG2 3.38Å; D334-T359 PolarHBondContact OD2-OG1 2.89Å; T359-S397 WeakPolarHBondContact CG2-O 3.43Å
360A98Very high96.9Very high5 Ų555.3 Ų55.34%0.04134%0.336CS..PPolyproline II helixtrans-82.3161-177.900000112R320 F358 D399R320-A360 HydrophobicContact CB-CB 3.61Å; R320-A360 HydrophobicContact CG-CB 3.84Å; F358-A360 HydrophobicContact CD2-CB 4.36Å; F358-A360 HydrophobicContact CE2-CB 3.9Å; F358-A360 PolarHBondContact O-N 3.48Å; A360-D399 WeakPolarHBondContact CB-O 3.25Å; A360-D399 PolarHBondContact N-O 3.17Å
361P97.4Very high97Very high91 Ų9154.5 Ų54.559%0.59132%0.317SS*.SBendtrans-55.6142.2169.2-24.734.5000111.1R320 G363R320-P361 PolarHBondContact NH1-O 2.95Å; P361-G363 PolarHBondContact O-N 3.44Å
362P97.8Very high97Very high87 Ų8751.6 Ų51.657%0.56531%0.305SS*.PPolyproline II helixtrans-52.4132.3-176.1-29.134.3000114H396P362-H396 WeakPolarHBondContact CA-O 3.33Å; P362-H396 HydrophobicContact CB-CB 3.89Å; P362-H396 WeakPolarHBondContact CB-O 3.4Å
363G96.8Very high97.1Very high8 Ų850 Ų508%0.08230%0.295CS..  trans-85.9-159166.400000111.8P361 D399P361-G363 PolarHBondContact O-N 3.44Å; G363-D399 WeakPolarHBondContact CA-OD2 3.45Å; G363-D399 PolarHBondContact N-OD2 2.94Å
364T94.5Very high97.1Very high119 Ų11948.1 Ų48.173%0.7328%0.284SS*.  trans-144.4160.9178.960.10000110.1H396T364-H396 VanDerWaalsContact C-NE2 3.32Å; T364-H396 WeakPolarHBondContact CA-NE2 3.32Å
365G94.3Very high96.9Very high66 Ų6653 Ų5368%0.6831%0.313SS*.SBendtrans92.2-13217400000111.9H396G365-H396 PolarHBondContact N-NE2 2.83Å; G365-H396 PolarHBondContact O-NE2 3.35Å
366K95.8Very high96.6Very high100 Ų10049.8 Ų49.844%0.43530%0.297SS..EExtended strand (participates in β ladder)trans-101.3138.1-174.8-173.9148.2173.5-176.30110.5G330 T331 W368G330-K366 CarbonylContact C-O 3.51Å; G330-K366 WeakPolarHBondContact CA-O 3.38Å; T331-K366 PolarHBondContact N-O 3.49Å; K366-W368 HydrophobicContact CB-CD2 4.4Å; K366-W368 HydrophobicContact CB-CH2 4.27Å; K366-W368 HydrophobicContact CB-CZ2 4.06Å; K366-W368 HydrophobicContact CD-CD2 4.48Å; K366-W368 HydrophobicContact CD-CE3 3.84Å; K366-W368 HydrophobicContact CD-CH2 3.49Å; K366-W368 VanDerWaalsContact CD-CH2 3.49Å; K366-W368 HydrophobicContact CD-CZ2 4.15Å; K366-W368 HydrophobicContact CD-CZ3 3.33Å; K366-W368 HydrophobicContact CG-CD2 4.05Å; K366-W368 HydrophobicContact CG-CE3 3.8Å; K366-W368 HydrophobicContact CG-CH2 4Å; K366-W368 HydrophobicContact CG-CZ2 4.21Å; K366-W368 HydrophobicContact CG-CZ3 3.81Å
367I97.7Very high96.2Very high11 Ų1149.6 Ų49.66%0.05631%0.306CS..EExtended strand (participates in β ladder)trans-84.5117.9164.8-55.2173.2000106.5T331 C333 N392 C394T331-I367 WeakPolarHBondContact OG1-CG1 3.49Å; C333-I367 HydrophobicContact CB-CG2 4.16Å; I367-N392 HydrophobicContact CG2-CB 4.34Å; I367-N392 PolarHBondContact O-ND2 3.36Å; I367-C394 HydrophobicContact CD1-CB 3.98Å; I367-C394 WeakPolarHBondContact CD1-O 3.39Å
368W97.6Very high96Very high26 Ų2649.2 Ų49.210%0.09830%0.302CS..EExtended strand (participates in β ladder)trans-91.3-35.6-173.6-74.3132.9000113.7V325 A328 G330 T331 K366 V389 G390V325-W368 HydrophobicContact CB-CD2 3.86Å; V325-W368 HydrophobicContact CB-CE3 4.18Å; V325-W368 HydrophobicContact CB-CG 4.24Å; V325-W368 HydrophobicContact CB-CH2 4.45Å; V325-W368 HydrophobicContact CB-CZ2 4.16Å; V325-W368 HydrophobicContact CB-CZ3 4.43Å; V325-W368 HydrophobicContact CG1-CE3 4.38Å; V325-W368 HydrophobicContact CG1-CZ3 4.42Å; V325-W368 HydrophobicContact CG2-CB 4.07Å; V325-W368 HydrophobicContact CG2-CD2 3.77Å; V325-W368 HydrophobicContact CG2-CE3 4.28Å; V325-W368 HydrophobicContact CG2-CG 3.63Å; A328-W368 HydrophobicContact CB-CZ2 4.1Å; A328-W368 PolarHBondContact O-NE1 3.42Å; G330-W368 VanDerWaalsContact N-NE1 3.16Å; T331-W368 PolarHBondContact O-N 2.92Å; K366-W368 HydrophobicContact CB-CD2 4.4Å; K366-W368 HydrophobicContact CB-CH2 4.27Å; K366-W368 HydrophobicContact CB-CZ2 4.06Å; K366-W368 HydrophobicContact CD-CD2 4.48Å; K366-W368 HydrophobicContact CD-CE3 3.84Å; K366-W368 HydrophobicContact CD-CH2 3.49Å; K366-W368 VanDerWaalsContact CD-CH2 3.49Å; K366-W368 HydrophobicContact CD-CZ2 4.15Å; K366-W368 HydrophobicContact CD-CZ3 3.33Å; K366-W368 HydrophobicContact CG-CD2 4.05Å; K366-W368 HydrophobicContact CG-CE3 3.8Å; K366-W368 HydrophobicContact CG-CH2 4Å; K366-W368 HydrophobicContact CG-CZ2 4.21Å; K366-W368 HydrophobicContact CG-CZ3 3.81Å; W368-V389 HydrophobicContact CE3-CG1 3.82Å; W368-V389 HydrophobicContact CZ3-CG1 4.35Å; W368-V389 CarbonylContact O-C 3.51Å; W368-V389 WeakPolarHBondContact O-CA 3.33Å; W368-G390 PolarHBondContact O-N 3.2Å
369L97.9Very high95.5Very high0 Ų053.9 Ų53.90%033%0.328CS..EExtended strand (participates in β ladder)trans-132.5149.8-173.5-61.3173.9000109.2V323 V332 C333 L372 I381 M382 V389V323-L369 HydrophobicContact CG2-CD1 4.31Å; V332-L369 WeakPolarHBondContact CA-O 3.33Å; V332-L369 HydrophobicContact CG1-CB 4.1Å; V332-L369 HydrophobicContact CG2-CB 4.26Å; V332-L369 HydrophobicContact CG2-CD1 4.42Å; C333-L369 PolarHBondContact N-O 2.9Å; L369-L372 HydrophobicContact CB-CD1 4.17Å; L369-L372 HydrophobicContact CB-CD2 4.49Å; L369-L372 HydrophobicContact CB-CG 4.33Å; L369-L372 HydrophobicContact CD1-CD1 4.35Å; L369-L372 HydrophobicContact CD1-CD2 4.33Å; L369-I381 HydrophobicContact CD1-CG1 3.9Å; L369-I381 HydrophobicContact CD1-CG2 4.19Å; L369-M382 HydrophobicContact CD1-CE 4.44Å; L369-M382 HydrophobicContact CD1-SD 4.2Å; L369-M382 HydrophobicContact CD2-SD 3.95Å; L369-V389 HydrophobicContact CD2-CG2 4.41Å
370D97.6Very high95.1Very high5 Ų552.1 Ų52.13%0.02732%0.315CS..  trans-155.4155.9-176.7-176.215000107.7C333 L372 P387 N392 N393C333-D370 HydrophobicContact CB-CB 4.02Å; C333-D370 WeakPolarHBondContact CB-OD1 3.49Å; D370-L372 PolarHBondContact O-N 3.36Å; D370-P387 WeakPolarHBondContact O-CD 3.46Å; D370-N392 HydrophobicContact CB-CB 3.55Å; D370-N392 WeakPolarHBondContact OD2-CA 3.42Å; D370-N392 VanDerWaalsContact OD2-CB 3.27Å; D370-N392 WeakPolarHBondContact OD2-CB 3.36Å; D370-N393 PolarHBondContact OD2-OD1 2.87Å
371D96.8Very high94.9Very high42 Ų4251.9 Ų51.923%0.22531%0.313CS..SBendtrans50.343.2177.8-94.5-24.6000113.2D335 N336 K373 P387D335-D371 PolarHBondContact O-N 2.71Å; N336-D371 PolarHBondContact ND2-OD1 3.28Å; D371-K373 PolarHBondContact O-N 3.05Å; D371-P387 HydrophobicContact CB-CG 3.7Å
372L96.4Very high94.7Very high2 Ų250.3 Ų50.31%0.0130%0.299CS..  trans-65.6128.6178.8-78165.6000110.2V332 F337 D341 L369 D370 I381 C384 H386V332-L372 HydrophobicContact CG1-CD1 3.48Å; V332-L372 VanDerWaalsContact CG1-CD1 3.48Å; F337-L372 HydrophobicContact CD2-CD1 3.97Å; F337-L372 HydrophobicContact CE2-CD1 3.99Å; D341-L372 HydrophobicContact CB-CB 4.31Å; D341-L372 WeakPolarHBondContact OD1-CB 3.15Å; L369-L372 HydrophobicContact CB-CD1 4.17Å; L369-L372 HydrophobicContact CB-CD2 4.49Å; L369-L372 HydrophobicContact CB-CG 4.33Å; L369-L372 HydrophobicContact CD1-CD1 4.35Å; L369-L372 HydrophobicContact CD1-CD2 4.33Å; D370-L372 PolarHBondContact O-N 3.36Å; L372-I381 HydrophobicContact CD1-CD1 3.92Å; L372-I381 HydrophobicContact CD1-CG1 4.14Å; L372-I381 HydrophobicContact CD2-CD1 4.22Å; L372-I381 HydrophobicContact CD2-CG1 4.32Å; L372-C384 HydrophobicContact CD2-CB 3.85Å; L372-H386 HydrophobicContact CD2-CB 4.09Å
373K95.8Very high94.3Very high120 Ų12051.4 Ų51.452%0.52230%0.3SS..  trans-126.450.1-177.9-68.1170.7-171.5173.70110.6D371 P385D371-K373 PolarHBondContact O-N 3.05Å; K373-P385 HydrophobicContact CB-CB 4.31Å; K373-P385 PolarHBondContact N-O 3.49Å; K373-P385 WeakPolarHBondContact O-CD 3.44Å
374C95.9Very high94.1Very high11 Ų1151.2 Ų51.27%0.07430%0.297CS..  trans-59.7145.9176.7-57.60000110.6P340 D341 V344 G376 C384P340-C374 HydrophobicContact CB-CB 4.46Å; P340-C374 VanDerWaalsContact CB-O 3.25Å; P340-C374 WeakPolarHBondContact CB-O 3.5Å; D341-C374 HydrophobicContact CB-CB 4.4Å; D341-C374 WeakPolarHBondContact OD1-CB 3.17Å; D341-C374 PolarHBondContact OD1-N 3.31Å; D341-C374 PolarHBondContact OD1-SG 3.5Å; V344-C374 HydrophobicContact CG2-CB 4.04Å; C374-G376 VanDerWaalsContact C-N 3.29Å; C374-C384 HydrophobicContact CB-CB 3.96Å; C374-C384 WeakPolarHBondContact CB-SG 3.15Å; C374-C384 WeakPolarHBondContact SG-CB 3.22Å; C374-C384 CovalentContact SG-SG 2.02Å; C374-C384 PolarHBondContact SG-SG 3.3Å
375T94.3Very high94.1Very high108 Ų10849 Ų4966%0.66329%0.285SS*.  trans-78-20.4164.963.10000111.7A377 E378T375-A377 PolarHBondContact OG1-N 2.96Å; T375-E378 WeakPolarHBondContact CB-OE1 2.98Å; T375-E378 PolarHBondContact N-OE1 2.69Å; T375-E378 PolarHBondContact N-OE2 2.9Å; T375-E378 PolarHBondContact OG1-OE1 3.38Å; T375-E378 PolarHBondContact OG1-OE2 2.56Å
376G91.5Very high94.1Very high16 Ų1648.4 Ų48.417%0.16526%0.264CS..SBendtrans94-1.7-173.900000113.5C374 E378C374-G376 VanDerWaalsContact C-N 3.29Å; G376-E378 WeakPolarHBondContact CA-OE2 3.37Å; G376-E378 PolarHBondContact N-OE2 3.27Å
377A90.1Very high93.8Very high69 Ų6947 Ų4757%0.5727%0.266SS*.  trans-98.8-12.6-179.900000113.2R347 T375R347-A377 PolarHBondContact NH2-O 2.98Å; T375-A377 PolarHBondContact OG1-N 2.96Å
378E94.1Very high93.4Very high23 Ų2347.4 Ų47.411%0.10727%0.272CS..  trans-64.7136.4-177-60.580.4-175.800112.4V344 R347 T375 G376 D383V344-E378 HydrophobicContact CG1-CB 4.27Å; V344-E378 WeakPolarHBondContact CG1-O 3.25Å; V344-E378 HydrophobicContact CG2-CB 3.98Å; R347-E378 PolarHBondContact NH2-O 3.06Å; T375-E378 WeakPolarHBondContact CB-OE1 2.98Å; T375-E378 PolarHBondContact N-OE1 2.69Å; T375-E378 PolarHBondContact N-OE2 2.9Å; T375-E378 PolarHBondContact OG1-OE1 3.38Å; T375-E378 PolarHBondContact OG1-OE2 2.56Å; G376-E378 WeakPolarHBondContact CA-OE2 3.37Å; G376-E378 PolarHBondContact N-OE2 3.27Å; E378-D383 HydrophobicContact CB-CB 4.22Å; E378-D383 HydrophobicContact CG-CB 4.29Å
379L87.9Confident93.2Very high141 Ų14149.4 Ų49.474%0.73829%0.287SS*.SBendtrans-82.3-24.9-178.2-63.9179.2000112.8M348M348-L379 WeakPolarHBondContact CG-O 3.18Å
380D89.9Confident92.8Very high44 Ų4450.5 Ų50.524%0.23530%0.299CS..SBendtrans-128.1145.1175.5-162.4-61.2000109.7M348 M382 D383M348-D380 HydrophobicContact CE-CB 4.27Å; D380-M382 PolarHBondContact O-N 2.92Å; D380-M382 WeakPolarHBondContact OD1-CB 3.32Å; D380-M382 PolarHBondContact OD1-N 3.42Å; D380-D383 WeakPolarHBondContact O-CB 3.33Å; D380-D383 PolarHBondContact O-N 2.87Å; D380-D383 VanDerWaalsContact O-N 3.11Å
381I93.8Very high92.6Very high0 Ų054.2 Ų54.20%032%0.321CS..G310 helixtrans-63.4-26.9177.8-167.665000112.2V310 V323 V344 I345 M348 L369 L372 D383 C384V310-I381 HydrophobicContact CG2-CG2 3.97Å; V323-I381 HydrophobicContact CG1-CG2 4.09Å; V323-I381 HydrophobicContact CG2-CG2 4.29Å; V344-I381 HydrophobicContact CB-CD1 4.48Å; V344-I381 HydrophobicContact CG1-CB 4.44Å; V344-I381 HydrophobicContact CG1-CD1 4.28Å; I345-I381 HydrophobicContact CD1-CB 3.86Å; I345-I381 HydrophobicContact CD1-CD1 3.71Å; I345-I381 HydrophobicContact CD1-CG1 3.67Å; I345-I381 HydrophobicContact CD1-CG2 4.35Å; I345-I381 HydrophobicContact CG1-CD1 3.92Å; I345-I381 HydrophobicContact CG1-CG1 4.43Å; M348-I381 HydrophobicContact CE-CG2 4.32Å; M348-I381 HydrophobicContact SD-CB 3.92Å; M348-I381 HydrophobicContact SD-CG2 4.19Å; M348-I381 PolarHBondContact SD-N 2.89Å; L369-I381 HydrophobicContact CD1-CG1 3.9Å; L369-I381 HydrophobicContact CD1-CG2 4.19Å; L372-I381 HydrophobicContact CD1-CD1 3.92Å; L372-I381 HydrophobicContact CD1-CG1 4.14Å; L372-I381 HydrophobicContact CD2-CD1 4.22Å; L372-I381 HydrophobicContact CD2-CG1 4.32Å; I381-D383 PolarHBondContact O-N 3.45Å; I381-C384 WeakPolarHBondContact O-CB 3.47Å; I381-C384 PolarHBondContact O-N 2.9Å
382M91.3Very high92.6Very high58 Ų5854.8 Ų54.829%0.28632%0.324SS..G310 helixtrans-72-15.3176.5-65-61.6-175.800113.6V323 V325 L369 D380 C384 V389V323-M382 HydrophobicContact CG1-CE 3.59Å; V325-M382 HydrophobicContact CG2-CE 3.37Å; L369-M382 HydrophobicContact CD1-CE 4.44Å; L369-M382 HydrophobicContact CD1-SD 4.2Å; L369-M382 HydrophobicContact CD2-SD 3.95Å; D380-M382 PolarHBondContact O-N 2.92Å; D380-M382 WeakPolarHBondContact OD1-CB 3.32Å; D380-M382 PolarHBondContact OD1-N 3.42Å; M382-C384 VanDerWaalsContact C-N 3.31Å; M382-V389 HydrophobicContact SD-CG2 4.21Å
383D90.5Very high92.5Very high110 Ų11060.8 Ų60.859%0.58836%0.356SS*.G310 helixtrans-83.5-12.4175.6-64.3-35000112E378 D380 I381E378-D383 HydrophobicContact CB-CB 4.22Å; E378-D383 HydrophobicContact CG-CB 4.29Å; D380-D383 WeakPolarHBondContact O-CB 3.33Å; D380-D383 PolarHBondContact O-N 2.87Å; D380-D383 VanDerWaalsContact O-N 3.11Å; I381-D383 PolarHBondContact O-N 3.45Å
384C92.6Very high92.6Very high4 Ų455.8 Ų55.83%0.02734%0.336CS..SBendtrans-70.8138.9177.2-63.10000110.8L372 C374 I381 M382 H386L372-C384 HydrophobicContact CD2-CB 3.85Å; C374-C384 HydrophobicContact CB-CB 3.96Å; C374-C384 WeakPolarHBondContact CB-SG 3.15Å; C374-C384 WeakPolarHBondContact SG-CB 3.22Å; C374-C384 CovalentContact SG-SG 2.02Å; C374-C384 PolarHBondContact SG-SG 3.3Å; I381-C384 WeakPolarHBondContact O-CB 3.47Å; I381-C384 PolarHBondContact O-N 2.9Å; M382-C384 VanDerWaalsContact C-N 3.31Å; C384-H386 PolarHBondContact O-CD2 3.06Å; C384-H386 PolarHBondContact O-N 3.32Å
385P94.9Very high92.7Very high73 Ų7361.7 Ų61.747%0.47436%0.363SS..  trans-56.4126.6172.3-23.132.1000111.3K373K373-P385 HydrophobicContact CB-CB 4.31Å; K373-P385 PolarHBondContact N-O 3.49Å; K373-P385 WeakPolarHBondContact O-CD 3.44Å
386H94.4Very high92.9Very high53 Ų5358.7 Ų58.725%0.24534%0.341CS..  trans-154.3160.7178.759.857.7000110.4L372 C384 G388L372-H386 HydrophobicContact CD2-CB 4.09Å; C384-H386 PolarHBondContact O-CD2 3.06Å; C384-H386 PolarHBondContact O-N 3.32Å; H386-G388 WeakPolarHBondContact ND1-CA 3.28Å; H386-G388 PolarHBondContact ND1-N 3.44Å; H386-G388 VanDerWaalsContact ND1-N 3.18Å; H386-G388 PolarHBondContact O-N 3.22Å
387P88.9Confident93.2Very high72 Ų7261.1 Ų61.147%0.46836%0.355SS..SBendtrans-63.6-23-177.9-23.135.3000114.8D370 D371 V391D370-P387 WeakPolarHBondContact O-CD 3.46Å; D371-P387 HydrophobicContact CB-CG 3.7Å; P387-V391 HydrophobicContact CB-CB 4.47Å; P387-V391 HydrophobicContact CB-CG1 4.13Å
388G89.5Confident93.6Very high19 Ų1960.7 Ų60.720%0.19634%0.342CS..  trans139.9158177.200000112H386 G390 V391H386-G388 WeakPolarHBondContact ND1-CA 3.28Å; H386-G388 PolarHBondContact ND1-N 3.44Å; H386-G388 VanDerWaalsContact ND1-N 3.18Å; H386-G388 PolarHBondContact O-N 3.22Å; G388-G390 PolarHBondContact O-N 3.4Å; G388-V391 PolarHBondContact O-N 2.97Å; G388-V391 VanDerWaalsContact O-N 3.14Å
389V92.3Very high93.8Very high68 Ų6859.6 Ų59.641%0.41234%0.337SS..THydrogen-bonded Turntrans-67.2121.3-177.5177.30000111.3V325 W368 L369 M382 V391V325-V389 HydrophobicContact CG1-CG1 3.73Å; V325-V389 HydrophobicContact CG2-CG1 4.26Å; W368-V389 HydrophobicContact CE3-CG1 3.82Å; W368-V389 HydrophobicContact CZ3-CG1 4.35Å; W368-V389 CarbonylContact O-C 3.51Å; W368-V389 WeakPolarHBondContact O-CA 3.33Å; L369-V389 HydrophobicContact CD2-CG2 4.41Å; M382-V389 HydrophobicContact SD-CG2 4.21Å; V389-V391 PolarHBondContact O-N 3.16Å
390G91.2Very high94.3Very high23 Ų2352.9 Ų52.924%0.23730%0.301CS..THydrogen-bonded Turntrans73.813.1-178.200000114.2W368 G388W368-G390 PolarHBondContact O-N 3.2Å; G388-G390 PolarHBondContact O-N 3.4Å
391V93.2Very high94.7Very high82 Ų8250.8 Ų50.850%0.49729%0.29SS..  trans-96.1108.9170.3-179.70000106.8P387 G388 V389P387-V391 HydrophobicContact CB-CB 4.47Å; P387-V391 HydrophobicContact CB-CG1 4.13Å; G388-V391 PolarHBondContact O-N 2.97Å; G388-V391 VanDerWaalsContact O-N 3.14Å; V389-V391 PolarHBondContact O-N 3.16Å
392N95.4Very high94.9Very high55 Ų5550.8 Ų50.829%0.29429%0.29SS..  trans-158.7162.5178.760.186.2000110.4I367 D370I367-N392 HydrophobicContact CG2-CB 4.34Å; I367-N392 PolarHBondContact O-ND2 3.36Å; D370-N392 HydrophobicContact CB-CB 3.55Å; D370-N392 WeakPolarHBondContact OD2-CA 3.42Å; D370-N392 VanDerWaalsContact OD2-CB 3.27Å; D370-N392 WeakPolarHBondContact OD2-CB 3.36Å
393N95.3Very high95.3Very high128 Ų12850.1 Ų50.168%0.68429%0.286SS*.  trans-115.97.4171.361.5-32.5000112.8D370D370-N393 PolarHBondContact OD2-OD1 2.87Å
394C97.6Very high95.6Very high14 Ų1445 Ų4510%0.09526%0.259CS..  trans-83.3163.4-173.7-530000114.4C333 I367 E398C333-C394 HydrophobicContact CB-CB 3.7Å; C333-C394 WeakPolarHBondContact CB-SG 3.36Å; C333-C394 WeakPolarHBondContact SG-CB 3.3Å; C333-C394 CovalentContact SG-SG 2.02Å; C333-C394 PolarHBondContact SG-SG 2.91Å; I367-C394 HydrophobicContact CD1-CB 3.98Å; I367-C394 WeakPolarHBondContact CD1-O 3.39Å; C394-E398 WeakPolarHBondContact CA-OE2 3.22Å; C394-E398 HydrophobicContact CB-CB 4.18Å
395Q97.8Very high95.8Very high136 Ų13648.5 Ų48.564%0.63629%0.288SS*.  trans-110.3167.2166.7-58.2-176.416.900110.5S397 E398Q395-S397 PolarHBondContact O-N 2.74Å; Q395-E398 PolarHBondContact N-OE2 3.49Å; Q395-E398 WeakPolarHBondContact O-CB 3.22Å; Q395-E398 PolarHBondContact O-N 3.2Å
396H98.3Very high95.8Very high45 Ų4547.3 Ų47.321%0.20828%0.279CS..G310 helixtrans-65.6-11.6177.9-74.5-56.4000114.2T331 P362 T364 G365 E398 D399T331-H396 PolarHBondContact OG1-CE1 3.27Å; T331-H396 PolarHBondContact OG1-ND1 3.42Å; P362-H396 WeakPolarHBondContact CA-O 3.33Å; P362-H396 HydrophobicContact CB-CB 3.89Å; P362-H396 WeakPolarHBondContact CB-O 3.4Å; T364-H396 VanDerWaalsContact C-NE2 3.32Å; T364-H396 WeakPolarHBondContact CA-NE2 3.32Å; G365-H396 PolarHBondContact N-NE2 2.83Å; G365-H396 PolarHBondContact O-NE2 3.35Å; H396-E398 PolarHBondContact O-N 2.86Å; H396-D399 IonicContact CG-OD2 3.13Å; H396-D399 IonicContact ND1-OD1 2.66Å; H396-D399 PolarHBondContact ND1-OD1 3.02Å; H396-D399 VanDerWaalsContact ND1-OD1 3.13Å; H396-D399 IonicContact ND1-OD2 3.6Å; H396-D399 PolarHBondContact ND1-OD2 2.93Å; H396-D399 PolarHBondContact O-N 3.5Å
397S98Very high95.9Very high66 Ų6647 Ų4746%0.46228%0.281SS..G310 helixtrans-65.4-13.3167.548.90000113.8T359 Q395T359-S397 WeakPolarHBondContact CG2-O 3.43Å; Q395-S397 PolarHBondContact O-N 2.74Å
398E98.5Very high96.3Very high61 Ų6145.6 Ų45.629%0.28527%0.271SS..G310 helixtrans-113.722.3-176.3-63164.1126.100110.1C333 D334 C394 Q395 H396 A400C333-E398 CarbonylContact C-O 3.5Å; C333-E398 WeakPolarHBondContact CA-O 3.17Å; D334-E398 WeakPolarHBondContact CB-O 3.37Å; D334-E398 PolarHBondContact N-O 2.92Å; D334-E398 WeakPolarHBondContact OD1-CB 3.37Å; C394-E398 WeakPolarHBondContact CA-OE2 3.22Å; C394-E398 HydrophobicContact CB-CB 4.18Å; Q395-E398 PolarHBondContact N-OE2 3.49Å; Q395-E398 WeakPolarHBondContact O-CB 3.22Å; Q395-E398 PolarHBondContact O-N 3.2Å; H396-E398 PolarHBondContact O-N 2.86Å; E398-A400 PolarHBondContact O-N 3Å
399D98.7Very high96.7Very high0 Ų047.2 Ų47.20%028%0.275CS..BIsolated β-bridgetrans-72.2131.6177.8-73.5-28.9000110.8R320 T331 V332 A360 G363 H396R320-D399 HydrophobicContact CG-CB 4.19Å; T331-D399 VanDerWaalsContact CB-CG 3.5Å; T331-D399 WeakPolarHBondContact CB-OD1 3.21Å; T331-D399 WeakPolarHBondContact CG2-OD2 3.47Å; T331-D399 PolarHBondContact OG1-OD1 3.37Å; V332-D399 CarbonylContact O-C 3.6Å; V332-D399 WeakPolarHBondContact O-CA 3.43Å; A360-D399 WeakPolarHBondContact CB-O 3.25Å; A360-D399 PolarHBondContact N-O 3.17Å; G363-D399 WeakPolarHBondContact CA-OD2 3.45Å; G363-D399 PolarHBondContact N-OD2 2.94Å; H396-D399 IonicContact CG-OD2 3.13Å; H396-D399 IonicContact ND1-OD1 2.66Å; H396-D399 PolarHBondContact ND1-OD1 3.02Å; H396-D399 VanDerWaalsContact ND1-OD1 3.13Å; H396-D399 IonicContact ND1-OD2 3.6Å; H396-D399 PolarHBondContact ND1-OD2 2.93Å; H396-D399 PolarHBondContact O-N 3.5Å
400A98.6Very high96.9Very high0 Ų045.9 Ų45.90%027%0.266CS..EExtended strand (participates in β ladder)trans-76.6145.2-178.700000113.6R320 V321 V332 D334 F337 E398R320-A400 WeakPolarHBondContact CA-O 3.49Å; V321-A400 PolarHBondContact N-O 3.45Å; V332-A400 HydrophobicContact CB-CB 4.32Å; V332-A400 HydrophobicContact CG1-CB 4.27Å; V332-A400 WeakPolarHBondContact O-CB 3.37Å; V332-A400 PolarHBondContact O-N 3.45Å; D334-A400 HydrophobicContact CB-CB 4.03Å; F337-A400 HydrophobicContact CB-CB 4.22Å; F337-A400 HydrophobicContact CD1-CB 3.72Å; F337-A400 HydrophobicContact CD2-CB 3.81Å; F337-A400 HydrophobicContact CE1-CB 3.96Å; F337-A400 HydrophobicContact CE2-CB 4.07Å; F337-A400 HydrophobicContact CG-CB 3.64Å; F337-A400 HydrophobicContact CZ-CB 4.14Å; E398-A400 PolarHBondContact O-N 3Å
401G98.5Very high97.3Very high0 Ų047.4 Ų47.40%027%0.268CS..EExtended strand (participates in β ladder)trans-133.2159.217300000112.4G319 T357 F358G319-G401 WeakPolarHBondContact O-CA 3.3Å; T357-G401 WeakPolarHBondContact CA-O 3.39Å; F358-G401 PolarHBondContact N-O 2.86Å; F358-G401 WeakPolarHBondContact O-CA 3.27Å; F358-G401 PolarHBondContact O-N 3.4Å
402V98.6Very high97.6Very high0 Ų044.9 Ų44.90%025%0.252CS..EExtended strand (participates in β ladder)trans-137149.4-178.971.60000111.7L312 R318 G319 V321 I345 C346 A354 D356 T357L312-V402 HydrophobicContact CD1-CG1 4.19Å; L312-V402 HydrophobicContact CD2-CG1 3.68Å; R318-V402 VanDerWaalsContact CA-O 3.31Å; R318-V402 WeakPolarHBondContact CA-O 3.49Å; G319-V402 PolarHBondContact N-O 2.88Å; G319-V402 VanDerWaalsContact N-O 3.16Å; G319-V402 PolarHBondContact O-N 3.22Å; V321-V402 HydrophobicContact CG2-CB 4.28Å; V321-V402 HydrophobicContact CG2-CG1 3.94Å; I345-V402 HydrophobicContact CG2-CG1 3.94Å; C346-V402 VanDerWaalsContact SG-CG2 3.52Å; A354-V402 HydrophobicContact CB-CG2 3.58Å; D356-V402 WeakPolarHBondContact O-CG2 3.43Å; T357-V402 HydrophobicContact CG2-CG2 4.24Å
403Q98.4Very high97.8Very high43 Ų4344.2 Ų44.220%0.20125%0.249CC..EExtended strand (participates in β ladder)trans-108.5122.5162.8177.268.463.900109.4S317 R318 A354 T355 D356S317-Q403 CarbonylContact O-C 3.54Å; S317-Q403 WeakPolarHBondContact O-CA 3.44Å; S317-Q403 PolarHBondContact O-NE2 2.66Å; S317-Q403 VanDerWaalsContact O-NE2 3.07Å; S317-Q403 PolarHBondContact OG-NE2 3.35Å; R318-Q403 VanDerWaalsContact CD-OE1 3.22Å; R318-Q403 HydrophobicContact CG-CB 4.34Å; R318-Q403 VanDerWaalsContact CG-OE1 3.28Å; A354-Q403 CarbonylContact C-O 3.48Å; A354-Q403 VanDerWaalsContact CA-O 3.29Å; A354-Q403 WeakPolarHBondContact CA-O 3.31Å; T355-Q403 PolarHBondContact N-O 3.46Å; T355-Q403 WeakPolarHBondContact OG1-CG 3.49Å; T355-Q403 PolarHBondContact OG1-O 2.76Å; D356-Q403 HydrophobicContact CB-CB 3.95Å; D356-Q403 PolarHBondContact O-N 2.98Å
404C98.1Very high98Very high3 Ų337.2 Ų37.22%0.0221%0.213CC..EExtended strand (participates in β ladder)trans-100157.8176-52.70000112S317 C346 F351 T353S317-C404 PolarHBondContact O-N 3.49Å; C346-C404 WeakPolarHBondContact CA-SG 3.36Å; C346-C404 HydrophobicContact CB-CB 3.72Å; C346-C404 WeakPolarHBondContact CB-SG 3.38Å; C346-C404 WeakPolarHBondContact SG-CA 3.47Å; C346-C404 WeakPolarHBondContact SG-CB 3.1Å; C346-C404 CovalentContact SG-SG 2.04Å; C346-C404 PolarHBondContact SG-SG 3.03Å; F351-C404 HydrophobicContact CB-CB 3.67Å; F351-C404 HydrophobicContact CD1-CB 3.77Å; F351-C404 HydrophobicContact CD2-CB 3.52Å; F351-C404 HydrophobicContact CE1-CB 4.28Å; F351-C404 HydrophobicContact CE2-CB 4.07Å; F351-C404 HydrophobicContact CG-CB 3.36Å; F351-C404 HydrophobicContact CZ-CB 4.42Å; T353-C404 WeakPolarHBondContact O-CA 3.47Å
405A94.8Very high98Very high78 Ų7839.3 Ų39.365%0.64522%0.223SC*.  trans-139.20175.200000113.1Q352 T353 T355Q352-A405 PolarHBondContact N-O 3.18Å; T353-A405 PolarHBondContact N-O 3.24Å; T353-A405 PolarHBondContact O-N 3.45Å; T355-A405 HydrophobicContact CG2-CB 3.5Å

Retrieved 405 of 405 residues in 254.5 ms (Link to these results)