A0A096MQD1_PAPAN Loading...

Collagen alpha-1(XIX) chain

May act as a cross-bridge between fibrils and other extracellular matrix molecules. Involved in skeletal myogenesis in the developing esophagus. May play a role in organization of the pericellular matrix or the sphinteric smooth muscle.

AlphaFold DB , UniProt , Accession A0A096MQD1, Species PAPAN (Papio anubis, Olive baboon), Gene COL19A1, Length 1,142 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
1M32.5Very low43.7Very low246 Ų246166.8 Ų166.8100%1.21282%0.818SS**  0175.20-85.6178.1165.600109.5
2R42.8Very low43.7Very low231 Ų231171.4 Ų171.487%0.87282%0.82SS**  trans-68.9137.6-168.8-59.3172.5-179.4162.4-1.7113.3
3L34.4Very low43.8Very low175 Ų175167.9 Ų167.992%0.91681%0.805SS**  trans-127.4142.8142.5-89.192.3000107.7
4T40.5Very low43.9Very low131 Ų131160.5 Ų160.580%0.80478%0.779SS**  trans-139.8127.7-169.349.50000113.1
5G38.8Very low44Very low73 Ų73157.3 Ų157.375%0.75377%0.772SS**  trans101.4148.5170.600000114
6P46.9Very low44Very low98 Ų98159 Ų15964%0.63678%0.775SS**  cis-106.1119.89.335.7-27.9000114.3K8 L9P6-K8 PolarHBondContact O-N 2.86Å; P6-L9 HydrophobicContact CG-CD1 4.2Å
7W50.3Low43.8Very low228 Ų228158.1 Ų158.186%0.86477%0.774SS**G310 helixtrans-64.7-20.5172.7-154.4-60.8000112.6L9 W10W7-L9 VanDerWaalsContact C-N 3.3Å; W7-L9 PolarHBondContact O-N 2.77Å; W7-W10 PolarHBondContact O-N 3.23Å
8K47.9Very low43.4Very low191 Ų191157.3 Ų157.383%0.8377%0.772SS**G310 helixtrans-68.9-13.7-173.6-74.8-166.8173.7-173.90115.9P6P6-K8 PolarHBondContact O-N 2.86Å
9L48.8Very low43Very low124 Ų124155.6 Ų155.665%0.64977%0.774SS**G310 helixtrans-81.4-25174.8-94.377.8000113.6P6 W7 L11P6-L9 HydrophobicContact CG-CD1 4.2Å; W7-L9 VanDerWaalsContact C-N 3.3Å; W7-L9 PolarHBondContact O-N 2.77Å; L9-L11 PolarHBondContact O-N 2.61Å
10W50.3Low42.4Very low213 Ų213151.9 Ų151.981%0.80777%0.769SS**Hα-helixtrans-76.5-24.3-171.3-113.462.8000114.3W7 S14W7-W10 PolarHBondContact O-N 3.23Å; W10-S14 PolarHBondContact O-N 2.98Å; W10-S14 PolarHBondContact O-OG 3.11Å
11L47.6Very low42.4Very low125 Ų125150.3 Ų150.365%0.65477%0.772SS**Hα-helixtrans-80.2-10.1178.6-100.6163000114.6L9L9-L11 PolarHBondContact O-N 2.61Å
12W44Very low42.4Very low222 Ų222143.9 Ų143.984%0.84175%0.747SS**Hα-helixtrans-94.3-34.3171.9-8735.3000112.1S14W12-S14 VanDerWaalsContact C-N 3.34Å; W12-S14 PolarHBondContact O-N 2.94Å
13M44.3Very low41.8Very low126 Ų126137.6 Ų137.662%0.62174%0.738SS**Hα-helixtrans-73.1-23.8178-68.8-59.4-62.300113.6V15M13-V15 VanDerWaalsContact C-N 3.28Å; M13-V15 PolarHBondContact O-N 2.68Å
14S45.1Very low41.5Very low64 Ų64134.5 Ų134.545%0.44873%0.726SS.*THydrogen-bonded Turntrans-74.7-10.2179.856.30000115.1W10 W12W10-S14 PolarHBondContact O-N 2.98Å; W10-S14 PolarHBondContact O-OG 3.11Å; W12-S14 VanDerWaalsContact C-N 3.34Å; W12-S14 PolarHBondContact O-N 2.94Å
15V46.3Very low41.1Very low112 Ų112133.7 Ų133.768%0.67972%0.722SS**THydrogen-bonded Turntrans-91.8-19179.9-178.90000112.3M13M13-V15 VanDerWaalsContact C-N 3.28Å; M13-V15 PolarHBondContact O-N 2.68Å
16F43.4Very low40.8Very low185 Ų185136.9 Ų136.981%0.81172%0.72SS**SBendtrans-93.72.5179.5-95.1-83.2000114.7
17L41.3Very low40.1Very low144 Ų144143 Ų14375%0.75473%0.73SS**SBendtrans-128.138.5-176.8-73.6174.5000113.7
18L35.3Very low39.3Very low144 Ų144138.4 Ų138.475%0.75472%0.722SS**SBendtrans-115.4126.1153.6-81.6167.7000108.1A20L18-A20 VanDerWaalsContact C-N 3.34Å; L18-A20 PolarHBondContact O-N 2.79Å
19P35.8Very low38.4Very low124 Ų124138.3 Ų138.381%0.80572%0.722SS**  trans-6898.7168.728.7-31.6000107.6S21P19-S21 PolarHBondContact O-N 2.94Å
20A32.1Very low37.8Very low81 Ų81137.9 Ų137.967%0.66973%0.725SS**  trans-56.1116.7170.100000107.5L18 T22L18-A20 VanDerWaalsContact C-N 3.34Å; L18-A20 PolarHBondContact O-N 2.79Å; A20-T22 PolarHBondContact O-N 3.08Å
21S41.8Very low37.5Very low120 Ų120135.2 Ų135.284%0.83972%0.721SS**  trans-73.474.2175.4-165.90000108.5P19 S23P19-S21 PolarHBondContact O-N 2.94Å; S21-S23 VanDerWaalsContact C-N 3.31Å; S21-S23 PolarHBondContact O-N 3.42Å
22T31.9Very low37.9Very low111 Ų111136.5 Ų136.568%0.68172%0.724SS**  trans-63.3104.6154.643.20000105.7A20 V24A20-T22 PolarHBondContact O-N 3.08Å; T22-V24 PolarHBondContact O-N 3.36Å
23S31.1Very low38.9Very low98 Ų98128.4 Ų128.469%0.68570%0.701SS**  trans-57.390.1151.952.50000106.5S21 T25S21-S23 VanDerWaalsContact C-N 3.31Å; S21-S23 PolarHBondContact O-N 3.42Å; S23-T25 PolarHBondContact O-N 3.07Å
24V28.7Very low40.7Very low110 Ų110123 Ų12367%0.66768%0.676SS**  trans-5991.5151178.70000103.6T22 I26T22-V24 PolarHBondContact O-N 3.36Å; V24-I26 HydrophobicContact CG1-CG1 4.11Å; V24-I26 PolarHBondContact O-N 3.06Å
25T32.4Very low42.6Very low115 Ų115123.3 Ų123.371%0.70668%0.676SS**  trans-53.9101.6148.740.50000104S23 R27S23-T25 PolarHBondContact O-N 3.07Å; T25-R27 PolarHBondContact O-N 3.4Å
26I30.8Very low44.4Very low140 Ų140122.3 Ų122.372%0.71867%0.666SS**  trans-61.885.8154.9-60.6177000102.4V24 D28V24-I26 HydrophobicContact CG1-CG1 4.11Å; V24-I26 PolarHBondContact O-N 3.06Å; I26-D28 PolarHBondContact O-N 3.36Å
27R33.6Very low46Very low226 Ų226114.7 Ų114.785%0.85363%0.634SS**  trans-67.990.7172.4-177.2-179.5-169177.64.1102.8T25 K29T25-R27 PolarHBondContact O-N 3.4Å; R27-K29 PolarHBondContact O-N 3.06Å
28D32.3Very low46.9Very low131 Ų131119.2 Ų119.270%0.70164%0.641SS**  trans-49.7118.4-160.7-1675.8000108.2I26 T30I26-D28 PolarHBondContact O-N 3.36Å; D28-T30 PolarHBondContact O-N 3.3Å
29K29.3Very low48Very low190 Ų190114.5 Ų114.583%0.82662%0.616SS**  trans-84.671.5-163.9-143.4-168.4-174.4-161.20106.2R27 E31R27-K29 PolarHBondContact O-N 3.06Å; K29-E31 VanDerWaalsContact O-CA 3.27Å; K29-E31 WeakPolarHBondContact O-CA 3.35Å; K29-E31 PolarHBondContact O-N 3.12Å
30T36.5Very low48.4Very low114 Ų114115 Ų11570%0.69961%0.607SS**  trans-30.8100.4-174.447.40000109.4D28 E32D28-T30 PolarHBondContact O-N 3.3Å; T30-E32 PolarHBondContact O-N 3.17Å
31E43.4Very low48.8Very low157 Ų157113 Ų11373%0.73459%0.594SS**  trans-7196.3-158.9-69.7-157.5157.900110.5K29 S33 K94K29-E31 VanDerWaalsContact O-CA 3.27Å; K29-E31 WeakPolarHBondContact O-CA 3.35Å; K29-E31 PolarHBondContact O-N 3.12Å; E31-S33 PolarHBondContact O-N 2.99Å; E31-S33 VanDerWaalsContact O-N 3.16Å; E31-K94 VanDerWaalsContact C-NZ 3.31Å; E31-K94 VanDerWaalsContact CB-NZ 3.31Å; E31-K94 PolarHBondContact O-NZ 3.44Å; E31-K94 IonicContact OE2-NZ 2.7Å; E31-K94 PolarHBondContact OE2-NZ 3.14Å
32E57.4Low48.7Very low153 Ų153115.5 Ų115.572%0.71559%0.593SS**  trans-45.8122.2-167.8-65.2176.5147.900111.6T30 C34 K94T30-E32 PolarHBondContact O-N 3.17Å; E32-C34 PolarHBondContact O-N 3.3Å; E32-K94 WeakPolarHBondContact O-CD 3.18Å; E32-K94 PolarHBondContact O-NZ 2.85Å
33S65.2Low49.4Very low51 Ų51111.9 Ų111.936%0.35757%0.568SS.*SBendtrans-76.2-14.8-176.650.80000112.8E31E31-S33 PolarHBondContact O-N 2.99Å; E31-S33 VanDerWaalsContact O-N 3.16Å
34C80.4Confident49.9Very low14 Ų14108.8 Ų108.810%0.09554%0.543CS..SBendtrans-128.5127.9-169.7-63.30000111.8E32 C232E32-C34 PolarHBondContact O-N 3.3Å; C34-C232 HydrophobicContact CB-CB 3.56Å; C34-C232 WeakPolarHBondContact CB-SG 3.18Å; C34-C232 WeakPolarHBondContact SG-CB 3.3Å; C34-C232 CovalentContact SG-SG 2.01Å; C34-C232 PolarHBondContact SG-SG 2.76Å
35P86.4Confident50.1Low69 Ų69108 Ų10845%0.44854%0.539SS..PPolyproline II helixtrans-74.7158.7176.229.9-29.7000111.4S55 G56 F57P35-S55 CarbonylContact O-C 3.36Å; P35-S55 WeakPolarHBondContact O-CA 3.06Å; P35-S55 WeakPolarHBondContact O-CB 3.35Å; P35-G56 WeakPolarHBondContact CG-O 3.07Å; P35-G56 PolarHBondContact O-N 2.99Å; P35-F57 HydrophobicContact CG-CD1 4.13Å; P35-F57 HydrophobicContact CG-CE1 3.99Å
36I82.6Confident50.2Low92 Ų92108.4 Ų108.447%0.47253%0.529SS..BIsolated β-bridgetrans-76.1124.5177.6-59.6163.5000109.6E53I36-E53 WeakPolarHBondContact CD1-OE2 3.3Å; I36-E53 HydrophobicContact CG2-CB 4.15Å
37L78.5Confident50.3Low25 Ų25108.4 Ų108.413%0.13153%0.53CS..PPolyproline II helixtrans-77.2127.3174-74.6173.9000110.8I39 V54 D58 Y231L37-I39 PolarHBondContact O-N 3.48Å; L37-V54 WeakPolarHBondContact CB-O 3.28Å; L37-V54 PolarHBondContact N-O 2.94Å; L37-D58 HydrophobicContact CD2-CB 4.27Å; L37-Y231 HydrophobicContact CD1-CD1 4.06Å; L37-Y231 HydrophobicContact CD1-CE1 4.05Å
38R60.2Low50.6Low239 Ų239105 Ų10590%0.90253%0.529SS*.  trans-78.8100166.8-70.7-176.1173.6-167.6-2.7109.3E40R38-E40 PolarHBondContact O-N 3.25Å
39I58.4Low50.9Low44 Ų44107 Ų10723%0.22654%0.536CS..  trans-74119.5171.6-59.5177.7000108.7L37 G41 Q43 L44 V54L37-I39 PolarHBondContact O-N 3.48Å; I39-G41 VanDerWaalsContact C-N 3.31Å; I39-G41 PolarHBondContact O-N 3.24Å; I39-Q43 HydrophobicContact CG2-CB 4.09Å; I39-Q43 HydrophobicContact CG2-CG 4.38Å; I39-L44 HydrophobicContact CD1-CD1 3.98Å; I39-V54 HydrophobicContact CD1-CB 4.07Å; I39-V54 HydrophobicContact CD1-CG2 3.96Å
40E43.9Very low51.4Low134 Ų134104.3 Ų104.363%0.62653%0.531SS*.SBendtrans-74.380.4175.8-73.1174.6-175.100110.3R38 R67R38-E40 PolarHBondContact O-N 3.25Å; E40-R67 IonicContact OE1-CZ 2.85Å; E40-R67 IonicContact OE1-NH1 2.76Å; E40-R67 PolarHBondContact OE1-NH1 3.35Å; E40-R67 IonicContact OE1-NH2 3.69Å; E40-R67 PolarHBondContact OE1-NH2 3.12Å; E40-R67 IonicContact OE2-CZ 3.79Å; E40-R67 IonicContact OE2-NH1 2.81Å; E40-R67 PolarHBondContact OE2-NH1 3.36Å
41G39.7Very low51.7Low39 Ų39107 Ų10740%0.40253%0.533SS..SBendtrans95.1125.9168.900000116.1I39 Q43I39-G41 VanDerWaalsContact C-N 3.31Å; I39-G41 PolarHBondContact O-N 3.24Å; G41-Q43 VanDerWaalsContact C-N 3.26Å; G41-Q43 WeakPolarHBondContact O-CG 2.97Å; G41-Q43 PolarHBondContact O-N 3Å
42H39.1Very low52.2Low174 Ų174103.1 Ų103.181%0.80652%0.52SS*.SBendtrans40.73.4153.4-65.4101.8000123.2L44H42-L44 PolarHBondContact O-N 3.3Å
43Q46.9Very low52.6Low34 Ų34101.2 Ų101.216%0.15951%0.511CS..THydrogen-bonded Turntrans-71.7-24.3-172.9-70.3166.86.600114.9I39 G41 E244I39-Q43 HydrophobicContact CG2-CB 4.09Å; I39-Q43 HydrophobicContact CG2-CG 4.38Å; G41-Q43 VanDerWaalsContact C-N 3.26Å; G41-Q43 WeakPolarHBondContact O-CG 2.97Å; G41-Q43 PolarHBondContact O-N 3Å; Q43-E244 PolarHBondContact NE2-OE1 2.8Å; Q43-E244 PolarHBondContact NE2-OE2 2.93Å; Q43-E244 VanDerWaalsContact NE2-OE2 3.16Å
44L41.7Very low53.4Low33 Ų3399.1 Ų99.117%0.17350%0.496CS..THydrogen-bonded Turntrans-13849.9-174.4-70.6173.3000113.2I39 H42 V54 Q239I39-L44 HydrophobicContact CD1-CD1 3.98Å; H42-L44 PolarHBondContact O-N 3.3Å; L44-V54 HydrophobicContact CD1-CG2 3.66Å; L44-Q239 VanDerWaalsContact CD2-CD 3.45Å; L44-Q239 HydrophobicContact CD2-CG 4.05Å
45T33.2Very low53.7Low94 Ų94100.4 Ų100.458%0.57751%0.505SS*.  trans-91.297.8163.254.10000109.9
46Y34.5Very low54Low123 Ų12397.2 Ų97.248%0.48248%0.484SS..  trans-64.3156156.7-110.2-84000109.5
47D34.1Very low54.5Low140 Ų14093.3 Ų93.375%0.74946%0.464SS*.SBendtrans-58145.6-179.5-100.2-21.5000112.7
48N39.7Very low55.2Low155 Ų15593.4 Ų93.483%0.82947%0.465SS*.SBendtrans8.9121.5178.4-91.6-33.6000118.7
49M38.8Very low56.8Low172 Ų17282 Ų8285%0.84742%0.422SS*.SBendtrans81.334.1164.3-54.6-72.5-7900117.8
50N37.9Very low58.3Low134 Ų13479.9 Ų79.972%0.71741%0.411SS*.  trans-158.9123.9139.7-99.4-37.7000113.2V52N50-V52 PolarHBondContact O-N 2.7Å
51K43Very low60.5Low170 Ų17080.3 Ų80.374%0.73941%0.413SS*.  trans-81.4103.1167.8178.9-164.6170.5-144.30107.8E53K51-E53 IonicContact NZ-OE1 3.24Å; K51-E53 PolarHBondContact NZ-OE1 3.49Å; K51-E53 PolarHBondContact O-N 3.22Å; K51-E53 VanDerWaalsContact O-N 3.11Å
52V54.8Low63Low77 Ų7780.4 Ų80.447%0.46741%0.407SS..  trans-65.8111.5-179.5-178.20000109.7N50 V54N50-V52 PolarHBondContact O-N 2.7Å; V52-V54 HydrophobicContact CG1-CG2 4.23Å; V52-V54 PolarHBondContact O-N 3.26Å; V52-V54 VanDerWaalsContact O-N 3.16Å
53E66.1Low65.6Low113 Ų11372.6 Ų72.653%0.52837%0.371SS..  trans-81.296.3177.3-59-149.4126.900109.8I36 K51I36-E53 WeakPolarHBondContact CD1-OE2 3.3Å; I36-E53 HydrophobicContact CG2-CB 4.15Å; K51-E53 IonicContact NZ-OE1 3.24Å; K51-E53 PolarHBondContact NZ-OE1 3.49Å; K51-E53 PolarHBondContact O-N 3.22Å; K51-E53 VanDerWaalsContact O-N 3.11Å
54V80.8Confident67.7Low6 Ų674.9 Ų74.94%0.03639%0.391CS..  trans-76.2124.5-179.4177.10000110L37 I39 L44 V52 Y231 L236L37-V54 WeakPolarHBondContact CB-O 3.28Å; L37-V54 PolarHBondContact N-O 2.94Å; I39-V54 HydrophobicContact CD1-CB 4.07Å; I39-V54 HydrophobicContact CD1-CG2 3.96Å; L44-V54 HydrophobicContact CD1-CG2 3.66Å; V52-V54 HydrophobicContact CG1-CG2 4.23Å; V52-V54 PolarHBondContact O-N 3.26Å; V52-V54 VanDerWaalsContact O-N 3.16Å; V54-Y231 HydrophobicContact CG1-CD1 3.47Å; V54-Y231 VanDerWaalsContact CG1-CD1 3.47Å; V54-Y231 HydrophobicContact CG1-CE1 3.81Å; V54-L236 HydrophobicContact CG1-CD1 3.92Å; V54-L236 HydrophobicContact CG2-CD1 4.19Å
55S88.3Confident70Confident42 Ų4274.1 Ų74.129%0.29439%0.387SS..BIsolated β-bridgetrans-102.5147.3-18060.90000113.1P35 C232P35-S55 CarbonylContact O-C 3.36Å; P35-S55 WeakPolarHBondContact O-CA 3.06Å; P35-S55 WeakPolarHBondContact O-CB 3.35Å; S55-C232 PolarHBondContact O-N 3.02Å
56G91.5Very high72.5Confident1 Ų179.6 Ų79.61%0.0140%0.397CS..EExtended strand (participates in β ladder)trans158.3-167.4-173.800000114.5P35 I230P35-G56 WeakPolarHBondContact CG-O 3.07Å; P35-G56 PolarHBondContact O-N 2.99Å; G56-I230 CarbonylContact C-O 3.54Å; G56-I230 WeakPolarHBondContact CA-O 3.44Å
57F93.3Very high74.9Confident10 Ų1079.7 Ų79.74%0.04440%0.396CS..EExtended strand (participates in β ladder)trans-131.5125-172.7-53.5-93000110.5P35 L59 V91 F92 L96 K229 I230P35-F57 HydrophobicContact CG-CD1 4.13Å; P35-F57 HydrophobicContact CG-CE1 3.99Å; F57-L59 HydrophobicContact CB-CD2 4.4Å; F57-V91 WeakPolarHBondContact CD1-O 3.42Å; F57-V91 WeakPolarHBondContact CE1-O 3.33Å; F57-F92 HydrophobicContact CB-CD1 4.47Å; F57-F92 HydrophobicContact CB-CE1 4.04Å; F57-F92 AromaticContact CD1-CD1 3.92Å; F57-F92 HydrophobicContact CD1-CD1 3.92Å; F57-F92 HydrophobicContact CD1-CE1 4.34Å; F57-F92 AromaticContact CD2-CD1 3.92Å; F57-F92 HydrophobicContact CD2-CD1 3.92Å; F57-F92 HydrophobicContact CD2-CE1 4.01Å; F57-F92 HydrophobicContact CE1-CD1 4.07Å; F57-F92 HydrophobicContact CE2-CD1 4.09Å; F57-F92 AromaticContact CG-CD1 3.84Å; F57-F92 HydrophobicContact CG-CD1 3.84Å; F57-F92 AromaticContact CG-CE1 3.88Å; F57-F92 HydrophobicContact CG-CE1 3.88Å; F57-F92 HydrophobicContact CZ-CD1 4.16Å; F57-L96 HydrophobicContact CD2-CD2 3.84Å; F57-L96 HydrophobicContact CE2-CD2 3.58Å; F57-L96 HydrophobicContact CZ-CD2 4.45Å; F57-K229 WeakPolarHBondContact O-CA 3.39Å; F57-I230 PolarHBondContact N-O 3.45Å; F57-I230 PolarHBondContact O-N 2.83Å
58D93Very high77.2Confident27 Ų2774 Ų7414%0.14437%0.369CS..EExtended strand (participates in β ladder)trans-88.6115.6169.9-168.8-67.7000109.7L37 G60 E61 S62 K229L37-D58 HydrophobicContact CD2-CB 4.27Å; D58-G60 VanDerWaalsContact OD1-CA 3.26Å; D58-G60 WeakPolarHBondContact OD1-CA 3.35Å; D58-G60 PolarHBondContact OD1-N 3.23Å; D58-E61 HydrophobicContact CB-CB 4.29Å; D58-E61 PolarHBondContact OD1-N 3.23Å; D58-S62 VanDerWaalsContact O-CB 3.27Å; D58-S62 WeakPolarHBondContact O-CB 3.33Å; D58-S62 PolarHBondContact O-N 3.13Å; D58-S62 PolarHBondContact O-OG 3.39Å; D58-K229 HydrophobicContact CB-CG 4.25Å; D58-K229 WeakPolarHBondContact OD2-CE 3.26Å; D58-K229 VanDerWaalsContact OD2-CG 3.32Å; D58-K229 WeakPolarHBondContact OD2-CG 3.38Å
59L93.9Very high79.1Confident0 Ų074.9 Ų74.90%037%0.366CS..Hα-helixtrans-82.5-16.1-177.7-56.8-168.9000112.6F57 F63 V91 F92 W120 I211 L228 I230F57-L59 HydrophobicContact CB-CD2 4.4Å; L59-F63 HydrophobicContact CB-CD2 4.34Å; L59-F63 HydrophobicContact CB-CE2 4.48Å; L59-F63 WeakPolarHBondContact O-CB 3.37Å; L59-F63 VanDerWaalsContact O-CD2 3.23Å; L59-F63 WeakPolarHBondContact O-CD2 3.18Å; L59-F63 PolarHBondContact O-N 3.2Å; L59-V91 HydrophobicContact CD2-CG1 3.55Å; L59-F92 HydrophobicContact CD2-CE1 4.12Å; L59-F92 HydrophobicContact CD2-CZ 3.85Å; L59-W120 HydrophobicContact CD1-CG 4.24Å; L59-I211 HydrophobicContact CB-CG2 4.48Å; L59-I211 HydrophobicContact CD1-CG2 3.93Å; L59-L228 HydrophobicContact CB-CB 4.36Å; L59-L228 HydrophobicContact CB-CD2 3.93Å; L59-L228 HydrophobicContact CB-CG 3.95Å; L59-L228 WeakPolarHBondContact CB-O 3.16Å; L59-L228 HydrophobicContact CD1-CD2 3.97Å; L59-L228 HydrophobicContact CD1-CG 4.02Å; L59-L228 HydrophobicContact CG-CD2 4.5Å; L59-L228 HydrophobicContact CG-CG 4.32Å; L59-L228 PolarHBondContact N-O 2.86Å; L59-I230 HydrophobicContact CD1-CD1 4.04Å; L59-I230 HydrophobicContact CD1-CG1 4.16Å; L59-I230 HydrophobicContact CG-CG1 4.44Å
60G90.3Very high80.9Confident0 Ų067.7 Ų67.70%033%0.332CS..Hα-helixtrans-67.5-48.5169.100000111.1D58 S64 L65D58-G60 VanDerWaalsContact OD1-CA 3.26Å; D58-G60 WeakPolarHBondContact OD1-CA 3.35Å; D58-G60 PolarHBondContact OD1-N 3.23Å; G60-S64 PolarHBondContact O-N 3.01Å; G60-L65 WeakPolarHBondContact O-CB 3.21Å; G60-L65 PolarHBondContact O-N 3.21Å
61E89.3Confident81.9Confident142 Ų14267.6 Ų67.666%0.66433%0.327SS*.Hα-helixtrans-68.2-46.3174.9-174.1164.6-157.200112.1D58 F63 S64D58-E61 HydrophobicContact CB-CB 4.29Å; D58-E61 PolarHBondContact OD1-N 3.23Å; E61-F63 VanDerWaalsContact C-N 3.27Å; E61-F63 PolarHBondContact O-N 3.15Å; E61-S64 WeakPolarHBondContact O-CA 3.31Å; E61-S64 PolarHBondContact O-N 3.3Å
62S92.5Very high82.4Confident42 Ų4263.9 Ų63.929%0.29432%0.323SS..Hα-helixtrans-61.3-31.7-178.4-58.40000113.7D58 S64D58-S62 VanDerWaalsContact O-CB 3.27Å; D58-S62 WeakPolarHBondContact O-CB 3.33Å; D58-S62 PolarHBondContact O-N 3.13Å; D58-S62 PolarHBondContact O-OG 3.39Å; S62-S64 VanDerWaalsContact C-N 3.34Å
63F93.6Very high82.6Confident10 Ų1067.9 Ų67.94%0.04434%0.342CS..THydrogen-bonded Turntrans-87.4-3.9173.7-77.8-109.7000113.1L59 E61 L65 L84 R86 V91 T209 I211L59-F63 HydrophobicContact CB-CD2 4.34Å; L59-F63 HydrophobicContact CB-CE2 4.48Å; L59-F63 WeakPolarHBondContact O-CB 3.37Å; L59-F63 VanDerWaalsContact O-CD2 3.23Å; L59-F63 WeakPolarHBondContact O-CD2 3.18Å; L59-F63 PolarHBondContact O-N 3.2Å; E61-F63 VanDerWaalsContact C-N 3.27Å; E61-F63 PolarHBondContact O-N 3.15Å; F63-L65 VanDerWaalsContact C-N 3.34Å; F63-L65 HydrophobicContact CB-CD2 4.04Å; F63-L65 HydrophobicContact CB-CG 4.05Å; F63-L84 HydrophobicContact CD1-CB 4.31Å; F63-L84 WeakPolarHBondContact CE1-O 3.48Å; F63-R86 HydrophobicContact CD1-CB 4.44Å; F63-R86 HydrophobicContact CD1-CG 3.59Å; F63-R86 HydrophobicContact CD2-CG 4.36Å; F63-R86 HydrophobicContact CE1-CB 4.08Å; F63-R86 HydrophobicContact CE1-CG 3.72Å; F63-R86 HydrophobicContact CE2-CG 4.49Å; F63-R86 HydrophobicContact CG-CG 3.94Å; F63-R86 HydrophobicContact CZ-CB 4.22Å; F63-R86 HydrophobicContact CZ-CG 4.2Å; F63-R86 PolarHBondContact O-NH2 2.88Å; F63-V91 HydrophobicContact CE2-CG2 4.38Å; F63-T209 HydrophobicContact CE2-CG2 4.24Å; F63-T209 HydrophobicContact CZ-CG2 3.83Å; F63-T209 WeakPolarHBondContact CZ-O 3.46Å; F63-I211 HydrophobicContact CB-CD1 3.9Å; F63-I211 HydrophobicContact CD1-CD1 3.85Å; F63-I211 HydrophobicContact CD1-CG1 3.77Å; F63-I211 HydrophobicContact CD2-CD1 3.62Å; F63-I211 HydrophobicContact CD2-CG1 4.17Å; F63-I211 HydrophobicContact CD2-CG2 4.46Å; F63-I211 HydrophobicContact CE1-CD1 4.25Å; F63-I211 HydrophobicContact CE1-CG1 3.78Å; F63-I211 HydrophobicContact CE1-CG2 4.47Å; F63-I211 HydrophobicContact CE2-CD1 4.03Å; F63-I211 HydrophobicContact CE2-CG1 4.16Å; F63-I211 HydrophobicContact CE2-CG2 3.81Å; F63-I211 HydrophobicContact CG-CD1 3.5Å; F63-I211 HydrophobicContact CG-CG1 3.97Å; F63-I211 HydrophobicContact CZ-CB 4.39Å; F63-I211 HydrophobicContact CZ-CD1 4.32Å; F63-I211 HydrophobicContact CZ-CG1 3.96Å; F63-I211 HydrophobicContact CZ-CG2 3.81Å
64S91Very high82.6Confident81 Ų8166 Ų6657%0.56633%0.332SS*.THydrogen-bonded Turntrans60.738.3-174.8-38.50000112.9G60 E61 S62 R86G60-S64 PolarHBondContact O-N 3.01Å; E61-S64 WeakPolarHBondContact O-CA 3.31Å; E61-S64 PolarHBondContact O-N 3.3Å; S62-S64 VanDerWaalsContact C-N 3.34Å; S64-R86 PolarHBondContact OG-NH2 3.07Å
65L90.6Very high82.7Confident18 Ų1868.1 Ų68.19%0.09435%0.345CS..  trans-66.4134.8179.5-60.3-171.7000110.7G60 F63 R67 F77 L79 L84 I211 L225G60-L65 WeakPolarHBondContact O-CB 3.21Å; G60-L65 PolarHBondContact O-N 3.21Å; F63-L65 VanDerWaalsContact C-N 3.34Å; F63-L65 HydrophobicContact CB-CD2 4.04Å; F63-L65 HydrophobicContact CB-CG 4.05Å; L65-R67 PolarHBondContact O-N 2.97Å; L65-F77 HydrophobicContact CB-CB 3.92Å; L65-F77 HydrophobicContact CB-CD1 3.34Å; L65-F77 HydrophobicContact CB-CE1 4.02Å; L65-F77 HydrophobicContact CB-CG 3.82Å; L65-F77 HydrophobicContact CD1-CB 3.78Å; L65-F77 HydrophobicContact CD1-CD1 4.27Å; L65-F77 HydrophobicContact CD1-CD2 4.44Å; L65-F77 HydrophobicContact CD1-CG 3.92Å; L65-F77 HydrophobicContact CG-CD1 4.42Å; L65-L79 HydrophobicContact CD1-CD2 4.01Å; L65-L84 HydrophobicContact CD2-CD1 4.1Å; L65-L84 HydrophobicContact CD2-CD2 3.61Å; L65-L84 HydrophobicContact CD2-CG 4.49Å; L65-I211 HydrophobicContact CD1-CD1 4Å; L65-L225 HydrophobicContact CD1-CD2 4.2Å
66R85.3Confident82.6Confident209 Ų20966.3 Ų66.379%0.78933%0.332SS*.EExtended strand (participates in β ladder)trans-76.4111.5179-65.7-172.2-178.6-139.80.1110.2K78R66-K78 PolarHBondContact O-N 2.99Å
67R86.1Confident82.5Confident125 Ų12567 Ų6747%0.47234%0.335SS..EExtended strand (participates in β ladder)trans-60138.4163.7-55.6-172.1-159.4-16812.7108.9E40 L65 C76 F77E40-R67 IonicContact OE1-CZ 2.85Å; E40-R67 IonicContact OE1-NH1 2.76Å; E40-R67 PolarHBondContact OE1-NH1 3.35Å; E40-R67 IonicContact OE1-NH2 3.69Å; E40-R67 PolarHBondContact OE1-NH2 3.12Å; E40-R67 IonicContact OE2-CZ 3.79Å; E40-R67 IonicContact OE2-NH1 2.81Å; E40-R67 PolarHBondContact OE2-NH1 3.36Å; L65-R67 PolarHBondContact O-N 2.97Å; R67-C76 CarbonylContact C-O 3.49Å; R67-C76 WeakPolarHBondContact CA-O 3.48Å; R67-F77 HydrophobicContact CG-CD1 3.96Å; R67-F77 HydrophobicContact CG-CE1 3.5Å; R67-F77 HydrophobicContact CG-CZ 4.22Å
68A82.1Confident82Confident21 Ų2173.2 Ų73.217%0.17436%0.362CS..EExtended strand (participates in β ladder)trans-144.2163.7172.800000108.4C70 T75 C76 K78A68-C70 PolarHBondContact O-N 3.44Å; A68-T75 CarbonylContact O-C 3.06Å; A68-T75 WeakPolarHBondContact O-CA 3.37Å; A68-C76 PolarHBondContact N-O 3.05Å; A68-C76 PolarHBondContact O-N 3.49Å; A68-K78 HydrophobicContact CB-CD 3.72Å; A68-K78 HydrophobicContact CB-CG 4.01Å
69F80Confident81.7Confident172 Ų17272.6 Ų72.675%0.75436%0.359SS*.EExtended strand (participates in β ladder)trans-71.3127.9169.6-64.1-81.1000109.8T75F69-T75 HydrophobicContact CD1-CG2 4.29Å; F69-T75 HydrophobicContact CE1-CG2 4.14Å
70C74.8Confident81.1Confident22 Ų2275.5 Ų75.515%0.14939%0.389CS..PPolyproline II helixtrans-90.8172.4162.3-96.60000109.8A68 K74 C76 W171A68-C70 PolarHBondContact O-N 3.44Å; C70-K74 WeakPolarHBondContact CB-O 3.46Å; C70-K74 PolarHBondContact N-O 3.02Å; C70-C76 HydrophobicContact CB-CB 3.72Å; C70-C76 WeakPolarHBondContact CB-SG 3.3Å; C70-C76 WeakPolarHBondContact SG-CB 3.41Å; C70-C76 CovalentContact SG-SG 2.03Å; C70-C76 PolarHBondContact SG-SG 2.76Å; C70-W171 HydrophobicContact CB-CZ2 4.27Å
71E60.7Low80.8Confident131 Ų13180.9 Ų80.961%0.61243%0.426SS*.SBendtrans-57134.3170.3-167.7173.2-134.500110.4R107E71-R107 IonicContact OE2-CZ 3.77Å; E71-R107 IonicContact OE2-NH1 3.93Å; E71-R107 PolarHBondContact OE2-NH1 3.48Å; E71-R107 IonicContact OE2-NH2 3.31Å; E71-R107 PolarHBondContact OE2-NH2 3.32Å
72S53.5Low80.5Confident92 Ų9277.4 Ų77.464%0.64342%0.421SS*.SBendtrans5876.9-174.153.10000115.8K74S72-K74 PolarHBondContact O-N 2.64Å
73D58.3Low80.4Confident162 Ų16280.3 Ų80.387%0.86643%0.433SS*.SBendtrans49.6-10.6165.9-67.5-6.9000120.3
74K66.5Low80.5Confident72 Ų7280.6 Ų80.631%0.31344%0.435SS..  trans-84.4129.4177.6-60.3-162.7177.5-163.40110.3C70 S72 M105 E244C70-K74 WeakPolarHBondContact CB-O 3.46Å; C70-K74 PolarHBondContact N-O 3.02Å; S72-K74 PolarHBondContact O-N 2.64Å; K74-M105 HydrophobicContact CD-CE 3.8Å; K74-E244 PolarHBondContact NZ-O 3.34Å
75T81.4Confident80.7Confident51 Ų5179.6 Ų79.631%0.31342%0.423SS..EExtended strand (participates in β ladder)trans-69.1150.616963.10000110A68 F69 H226A68-T75 CarbonylContact O-C 3.06Å; A68-T75 WeakPolarHBondContact O-CA 3.37Å; F69-T75 HydrophobicContact CD1-CG2 4.29Å; F69-T75 HydrophobicContact CE1-CG2 4.14Å; T75-H226 PolarHBondContact O-ND1 3.5Å
76C86.7Confident80.9Confident5 Ų583.6 Ų83.63%0.03444%0.437CS..EExtended strand (participates in β ladder)trans-148.6150.7-178.966.90000111.5R67 A68 C70 W171 L225R67-C76 CarbonylContact C-O 3.49Å; R67-C76 WeakPolarHBondContact CA-O 3.48Å; A68-C76 PolarHBondContact N-O 3.05Å; A68-C76 PolarHBondContact O-N 3.49Å; C70-C76 HydrophobicContact CB-CB 3.72Å; C70-C76 WeakPolarHBondContact CB-SG 3.3Å; C70-C76 WeakPolarHBondContact SG-CB 3.41Å; C70-C76 CovalentContact SG-SG 2.03Å; C70-C76 PolarHBondContact SG-SG 2.76Å; C76-W171 HydrophobicContact CB-CH2 4.17Å; C76-L225 CarbonylContact C-O 3.43Å; C76-L225 WeakPolarHBondContact CA-O 3.29Å
77F89.5Confident81.4Confident14 Ų1476.9 Ų76.96%0.06142%0.416CS..EExtended strand (participates in β ladder)trans-80.2119.4177.2-65.5-65.8000111.1L65 R67 L79 L225 H226L65-F77 HydrophobicContact CB-CB 3.92Å; L65-F77 HydrophobicContact CB-CD1 3.34Å; L65-F77 HydrophobicContact CB-CE1 4.02Å; L65-F77 HydrophobicContact CB-CG 3.82Å; L65-F77 HydrophobicContact CD1-CB 3.78Å; L65-F77 HydrophobicContact CD1-CD1 4.27Å; L65-F77 HydrophobicContact CD1-CD2 4.44Å; L65-F77 HydrophobicContact CD1-CG 3.92Å; L65-F77 HydrophobicContact CG-CD1 4.42Å; R67-F77 HydrophobicContact CG-CD1 3.96Å; R67-F77 HydrophobicContact CG-CE1 3.5Å; R67-F77 HydrophobicContact CG-CZ 4.22Å; F77-L79 PolarHBondContact O-N 3.45Å; F77-L225 HydrophobicContact CB-CB 4.45Å; F77-L225 HydrophobicContact CD2-CG 4.42Å; F77-L225 PolarHBondContact N-O 3.08Å; F77-H226 WeakPolarHBondContact CD2-O 3.42Å; F77-H226 WeakPolarHBondContact CE2-O 3.44Å
78K83Confident81.9Confident141 Ų14170.9 Ų70.961%0.61339%0.394SS*.EExtended strand (participates in β ladder)trans-79.4102.8168.7-75-179.7177.4173.50109.2R66 A68 G80R66-K78 PolarHBondContact O-N 2.99Å; A68-K78 HydrophobicContact CB-CD 3.72Å; A68-K78 HydrophobicContact CB-CG 4.01Å; K78-G80 PolarHBondContact O-N 3.42Å
79L87.4Confident82.4Confident15 Ų1573.8 Ų73.88%0.07941%0.405CS..  trans-60.2-29.9179.8-56.2-177.4000113.3L65 F77 L84 A212 P220 I223 L225L65-L79 HydrophobicContact CD1-CD2 4.01Å; F77-L79 PolarHBondContact O-N 3.45Å; L79-L84 HydrophobicContact CB-CD1 4.03Å; L79-L84 HydrophobicContact CD2-CD1 3.77Å; L79-L84 HydrophobicContact CG-CD1 4.38Å; L79-A212 HydrophobicContact CD1-CB 3.73Å; L79-A212 HydrophobicContact CD2-CB 4.28Å; L79-P220 HydrophobicContact CB-CB 4.19Å; L79-I223 HydrophobicContact CD1-CD1 4.34Å; L79-I223 HydrophobicContact CD1-CG1 3.67Å; L79-L225 HydrophobicContact CD2-CB 4.16Å; L79-L225 HydrophobicContact CD2-CD2 3.99Å
80G81.6Confident83.1Confident61 Ų6173.1 Ų73.163%0.62940%0.402SS*.  trans70.2-153.6176.700000113.5K78K78-G80 PolarHBondContact O-N 3.42Å
81S82.1Confident84Confident113 Ų11372.4 Ų72.479%0.7940%0.397SS*.SBendtrans-115.3-6.8-179.454.20000114.1
82A84.3Confident85.5Confident68 Ų6866.2 Ų66.256%0.56237%0.368SS*.SBendtrans-77.4150.7177.900000111.2L84 P220A82-L84 PolarHBondContact O-N 3.48Å; A82-P220 WeakPolarHBondContact O-CD 3.03Å; A82-P220 WeakPolarHBondContact O-CG 3.4Å
83L90.8Very high87.3Confident104 Ų10466.1 Ų66.155%0.54537%0.366SS..  trans-67.6119.9177.7-58-178000110.2I85 K219L83-I85 VanDerWaalsContact C-N 3.27Å; L83-I85 HydrophobicContact CB-CD1 4Å; L83-I85 HydrophobicContact CB-CG1 4.03Å; L83-I85 HydrophobicContact CD1-CD1 4.26Å; L83-I85 PolarHBondContact O-N 3.46Å; L83-K219 HydrophobicContact CD2-CG 4.29Å
84L94Very high88.8Confident16 Ų1663.3 Ų63.38%0.08435%0.345CS..  trans-81.976.7178.3-61.5-176.3000110.1F63 L65 L79 A82 V210 I211 P220F63-L84 HydrophobicContact CD1-CB 4.31Å; F63-L84 WeakPolarHBondContact CE1-O 3.48Å; L65-L84 HydrophobicContact CD2-CD1 4.1Å; L65-L84 HydrophobicContact CD2-CD2 3.61Å; L65-L84 HydrophobicContact CD2-CG 4.49Å; L79-L84 HydrophobicContact CB-CD1 4.03Å; L79-L84 HydrophobicContact CD2-CD1 3.77Å; L79-L84 HydrophobicContact CG-CD1 4.38Å; A82-L84 PolarHBondContact O-N 3.48Å; L84-V210 WeakPolarHBondContact O-CA 3.46Å; L84-I211 HydrophobicContact CB-CG1 3.95Å; L84-I211 WeakPolarHBondContact CB-O 3.4Å; L84-I211 HydrophobicContact CD1-CG1 4.23Å; L84-I211 PolarHBondContact O-N 3.35Å; L84-P220 HydrophobicContact CG-CG 4.25Å
85I95.4Very high89.9Confident60 Ų6060.2 Ų60.231%0.30833%0.334SS..EExtended strand (participates in β ladder)trans-130.9133.1-177.1-53.2-176.3000108.5L83 R208 T209 V210L83-I85 VanDerWaalsContact C-N 3.27Å; L83-I85 HydrophobicContact CB-CD1 4Å; L83-I85 HydrophobicContact CB-CG1 4.03Å; L83-I85 HydrophobicContact CD1-CD1 4.26Å; L83-I85 PolarHBondContact O-N 3.46Å; I85-R208 HydrophobicContact CG2-CB 4.11Å; I85-T209 WeakPolarHBondContact CA-O 3.37Å; I85-V210 HydrophobicContact CB-CG1 4.24Å; I85-V210 HydrophobicContact CD1-CG1 4.32Å; I85-V210 HydrophobicContact CG1-CB 4.47Å; I85-V210 HydrophobicContact CG1-CG1 3.76Å; I85-V210 HydrophobicContact CG2-CG1 4.05Å
86R95.9Very high90.4Very high102 Ų10258.7 Ų58.739%0.38532%0.324SS..EExtended strand (participates in β ladder)trans-133.4160.2171.7-66.6-65.2-174.31448.5110.1F63 S64 T88 V91 R208 T209F63-R86 HydrophobicContact CD1-CB 4.44Å; F63-R86 HydrophobicContact CD1-CG 3.59Å; F63-R86 HydrophobicContact CD2-CG 4.36Å; F63-R86 HydrophobicContact CE1-CB 4.08Å; F63-R86 HydrophobicContact CE1-CG 3.72Å; F63-R86 HydrophobicContact CE2-CG 4.49Å; F63-R86 HydrophobicContact CG-CG 3.94Å; F63-R86 HydrophobicContact CZ-CB 4.22Å; F63-R86 HydrophobicContact CZ-CG 4.2Å; F63-R86 PolarHBondContact O-NH2 2.88Å; S64-R86 PolarHBondContact OG-NH2 3.07Å; R86-T88 PolarHBondContact O-N 2.81Å; R86-V91 HydrophobicContact CB-CG2 3.97Å; R86-R208 CarbonylContact O-C 3.51Å; R86-R208 WeakPolarHBondContact O-CA 3.28Å; R86-T209 HydrophobicContact CB-CG2 4.08Å; R86-T209 PolarHBondContact N-O 2.86Å; R86-T209 PolarHBondContact O-N 2.81Å
87D95.6Very high90.6Very high67 Ų6759.9 Ų59.936%0.35833%0.331SS..EExtended strand (participates in β ladder)trans-69127.6170.5-47.7-54.4000108.6I89 K90D87-I89 VanDerWaalsContact C-N 3.31Å; D87-I89 PolarHBondContact O-N 2.82Å; D87-K90 HydrophobicContact CB-CD 4.06Å; D87-K90 HydrophobicContact CB-CG 4.18Å; D87-K90 WeakPolarHBondContact O-CB 3.29Å; D87-K90 PolarHBondContact O-N 2.56Å; D87-K90 WeakPolarHBondContact OD2-CD 3.43Å; D87-K90 VanDerWaalsContact OD2-CE 3.26Å; D87-K90 WeakPolarHBondContact OD2-CE 3.36Å; D87-K90 IonicContact OD2-NZ 2.81Å; D87-K90 PolarHBondContact OD2-NZ 2.86Å
88T95.8Very high90.5Very high0 Ų065.6 Ų65.60%036%0.359CS..Hα-helixtrans-57.4-43.4-170.9-62.30000111.9R86 K90 V91 F92 V122 F205 G207 R208 T209R86-T88 PolarHBondContact O-N 2.81Å; T88-K90 PolarHBondContact O-N 3.2Å; T88-V91 PolarHBondContact O-N 3.03Å; T88-F92 HydrophobicContact CG2-CD2 3.87Å; T88-F92 PolarHBondContact O-N 2.89Å; T88-V122 HydrophobicContact CG2-CG1 3.81Å; T88-F205 WeakPolarHBondContact CB-O 3.29Å; T88-F205 HydrophobicContact CG2-CB 3.9Å; T88-F205 HydrophobicContact CG2-CD1 3.63Å; T88-F205 HydrophobicContact CG2-CG 4.25Å; T88-F205 WeakPolarHBondContact CG2-O 3.46Å; T88-G207 PolarHBondContact N-O 2.81Å; T88-G207 VanDerWaalsContact OG1-C 3.26Å; T88-G207 PolarHBondContact OG1-O 2.91Å; T88-R208 VanDerWaalsContact OG1-CA 3.25Å; T88-R208 WeakPolarHBondContact OG1-CA 3.4Å; T88-R208 PolarHBondContact OG1-N 2.88Å; T88-R208 VanDerWaalsContact OG1-N 3.11Å; T88-R208 PolarHBondContact OG1-O 3.09Å; T88-T209 PolarHBondContact OG1-N 2.86Å
89I93.7Very high90.9Very high81 Ų8162.3 Ų62.342%0.41535%0.345SS..Hα-helixtrans-65-16.6177.7-161.7167.2000114.6D87 P93 F205D87-I89 VanDerWaalsContact C-N 3.31Å; D87-I89 PolarHBondContact O-N 2.82Å; I89-P93 VanDerWaalsContact O-CA 3.23Å; I89-P93 WeakPolarHBondContact O-CA 3.17Å; I89-F205 PolarHBondContact N-O 2.83Å
90K93.2Very high91.2Very high159 Ų15961.6 Ų61.669%0.69134%0.342SS*.Hα-helixtrans-83.7-15.2173-68.2178.5-176.5159.90113.1D87 T88D87-K90 HydrophobicContact CB-CD 4.06Å; D87-K90 HydrophobicContact CB-CG 4.18Å; D87-K90 WeakPolarHBondContact O-CB 3.29Å; D87-K90 PolarHBondContact O-N 2.56Å; D87-K90 WeakPolarHBondContact OD2-CD 3.43Å; D87-K90 VanDerWaalsContact OD2-CE 3.26Å; D87-K90 WeakPolarHBondContact OD2-CE 3.36Å; D87-K90 IonicContact OD2-NZ 2.81Å; D87-K90 PolarHBondContact OD2-NZ 2.86Å; T88-K90 PolarHBondContact O-N 3.2Å
91V93.6Very high91.8Very high7 Ų758.7 Ų58.74%0.04231%0.312CS..Hα-helixtrans-103.1-39.3176.8-178.10000110.3F57 L59 F63 R86 T88 P93 T209F57-V91 WeakPolarHBondContact CD1-O 3.42Å; F57-V91 WeakPolarHBondContact CE1-O 3.33Å; L59-V91 HydrophobicContact CD2-CG1 3.55Å; F63-V91 HydrophobicContact CE2-CG2 4.38Å; R86-V91 HydrophobicContact CB-CG2 3.97Å; T88-V91 PolarHBondContact O-N 3.03Å; V91-P93 WeakPolarHBondContact O-CD 3.42Å; V91-T209 HydrophobicContact CB-CG2 4.11Å; V91-T209 HydrophobicContact CG2-CG2 3.68Å
92F94.2Very high92.5Very high1 Ų153.5 Ų53.50%0.00428%0.275CS..  trans-124.771.7-178.2-48.8-65.9000109.8F57 L59 T88 K94 G95 L96 W120 F205 I230F57-F92 HydrophobicContact CB-CD1 4.47Å; F57-F92 HydrophobicContact CB-CE1 4.04Å; F57-F92 AromaticContact CD1-CD1 3.92Å; F57-F92 HydrophobicContact CD1-CD1 3.92Å; F57-F92 HydrophobicContact CD1-CE1 4.34Å; F57-F92 AromaticContact CD2-CD1 3.92Å; F57-F92 HydrophobicContact CD2-CD1 3.92Å; F57-F92 HydrophobicContact CD2-CE1 4.01Å; F57-F92 HydrophobicContact CE1-CD1 4.07Å; F57-F92 HydrophobicContact CE2-CD1 4.09Å; F57-F92 AromaticContact CG-CD1 3.84Å; F57-F92 HydrophobicContact CG-CD1 3.84Å; F57-F92 AromaticContact CG-CE1 3.88Å; F57-F92 HydrophobicContact CG-CE1 3.88Å; F57-F92 HydrophobicContact CZ-CD1 4.16Å; L59-F92 HydrophobicContact CD2-CE1 4.12Å; L59-F92 HydrophobicContact CD2-CZ 3.85Å; T88-F92 HydrophobicContact CG2-CD2 3.87Å; T88-F92 PolarHBondContact O-N 2.89Å; F92-K94 PolarHBondContact O-N 3.22Å; F92-G95 PolarHBondContact O-N 2.72Å; F92-L96 HydrophobicContact CD1-CD2 3.58Å; F92-L96 HydrophobicContact CD1-CG 4.11Å; F92-L96 HydrophobicContact CE1-CD2 3.78Å; F92-L96 HydrophobicContact CE1-CG 4.42Å; F92-L96 HydrophobicContact CG-CD2 4.34Å; F92-L96 HydrophobicContact CG-CG 4.41Å; F92-W120 AromaticContact CE2-CZ2 3.94Å; F92-W120 HydrophobicContact CE2-CZ2 3.94Å; F92-W120 AromaticContact CZ-CZ2 3.84Å; F92-W120 HydrophobicContact CZ-CZ2 3.84Å; F92-F205 HydrophobicContact CB-CD1 4.2Å; F92-F205 HydrophobicContact CD2-CD1 4.41Å; F92-I230 HydrophobicContact CE1-CD1 3.98Å; F92-I230 HydrophobicContact CZ-CD1 3.8Å
93P90.1Very high93Very high90 Ų9050.2 Ų50.258%0.58425%0.248SC*.THydrogen-bonded Turntrans-65.3-21-172.426-35.5000114.2I89 V91I89-P93 VanDerWaalsContact O-CA 3.23Å; I89-P93 WeakPolarHBondContact O-CA 3.17Å; V91-P93 WeakPolarHBondContact O-CD 3.42Å
94K89.4Confident93.2Very high102 Ų10245.3 Ų45.344%0.44322%0.223SC..THydrogen-bonded Turntrans-114.620.2172.2-67.4-176.3168.8-172.30112.4E31 E32 F92E31-K94 VanDerWaalsContact C-NZ 3.31Å; E31-K94 VanDerWaalsContact CB-NZ 3.31Å; E31-K94 PolarHBondContact O-NZ 3.44Å; E31-K94 IonicContact OE2-NZ 2.7Å; E31-K94 PolarHBondContact OE2-NZ 3.14Å; E32-K94 WeakPolarHBondContact O-CD 3.18Å; E32-K94 PolarHBondContact O-NZ 2.85Å; F92-K94 PolarHBondContact O-N 3.22Å
95G89.6Confident93.1Very high7 Ų745 Ų457%0.07222%0.221CC..  trans68.5-150.1-171.700000113.1F92F92-G95 PolarHBondContact O-N 2.72Å
96L91.6Very high93.1Very high19 Ų1942.1 Ų42.110%0.09921%0.206CC..  trans-123.2151.4173-67.2172.6000109.2F57 F92 Y100 W120 I131 F205 I230F57-L96 HydrophobicContact CD2-CD2 3.84Å; F57-L96 HydrophobicContact CE2-CD2 3.58Å; F57-L96 HydrophobicContact CZ-CD2 4.45Å; F92-L96 HydrophobicContact CD1-CD2 3.58Å; F92-L96 HydrophobicContact CD1-CG 4.11Å; F92-L96 HydrophobicContact CE1-CD2 3.78Å; F92-L96 HydrophobicContact CE1-CG 4.42Å; F92-L96 HydrophobicContact CG-CD2 4.34Å; F92-L96 HydrophobicContact CG-CG 4.41Å; L96-Y100 HydrophobicContact CD1-CD2 4.49Å; L96-Y100 HydrophobicContact CD1-CE2 4.31Å; L96-W120 HydrophobicContact CD1-CH2 3.6Å; L96-W120 HydrophobicContact CD1-CZ2 4.04Å; L96-I131 HydrophobicContact CD1-CD1 4.39Å; L96-F205 HydrophobicContact CB-CE1 4.21Å; L96-F205 HydrophobicContact CB-CZ 3.82Å; L96-F205 HydrophobicContact CD1-CE1 4.08Å; L96-F205 HydrophobicContact CD1-CZ 4.34Å; L96-F205 HydrophobicContact CG-CE1 3.87Å; L96-F205 HydrophobicContact CG-CZ 4.02Å; L96-F205 VanDerWaalsContact N-CZ 3.26Å; L96-I230 HydrophobicContact CD2-CG2 4Å
97P91.5Very high92.9Very high30 Ų3039.1 Ų39.120%0.19520%0.195CC..  trans-62.9165.1169.729.2-36000111.6E99 Y100 C232P97-E99 VanDerWaalsContact CG-O 3.31Å; P97-E99 WeakPolarHBondContact CG-O 3.33Å; P97-Y100 WeakPolarHBondContact O-CD1 3.42Å; P97-C232 HydrophobicContact CG-CB 3.87Å
98E87.4Confident92.9Very high135 Ų13536 Ų3663%0.63118%0.178SC*.SBendtrans-58-51.4175.9-170.3-175.8151.200111.2S180E98-S180 WeakPolarHBondContact OE1-CB 2.95Å; E98-S180 PolarHBondContact OE1-OG 3.15Å
99E91.1Very high92.7Very high72 Ų7240.8 Ų40.834%0.33620%0.196SC..SBendtrans-99.5130.5173.8-58-150.8137.900112.2P97 I178 Q179 S180 A234P97-E99 VanDerWaalsContact CG-O 3.31Å; P97-E99 WeakPolarHBondContact CG-O 3.33Å; E99-I178 CarbonylContact C-O 3.45Å; E99-I178 VanDerWaalsContact CA-O 3.26Å; E99-I178 WeakPolarHBondContact CA-O 3.44Å; E99-Q179 WeakPolarHBondContact OE1-CA 3.35Å; E99-Q179 WeakPolarHBondContact OE1-CB 3.24Å; E99-Q179 WeakPolarHBondContact OE1-CG 2.95Å; E99-S180 PolarHBondContact OE1-N 2.75Å; E99-A234 HydrophobicContact CB-CB 4.07Å
100Y93.9Very high92.6Very high0 Ų046.4 Ų46.40%021%0.212CC..EExtended strand (participates in β ladder)trans-156170.8-179.157.9-74.4000110.7L96 P97 V102 W120 I178 K200 I230 Y231L96-Y100 HydrophobicContact CD1-CD2 4.49Å; L96-Y100 HydrophobicContact CD1-CE2 4.31Å; P97-Y100 WeakPolarHBondContact O-CD1 3.42Å; Y100-V102 HydrophobicContact CD2-CG2 4.05Å; Y100-V102 HydrophobicContact CE2-CG2 4.08Å; Y100-W120 HydrophobicContact CE2-CH2 4.38Å; Y100-W120 HydrophobicContact CE2-CZ3 4.21Å; Y100-I178 HydrophobicContact CD1-CB 4.11Å; Y100-I178 HydrophobicContact CD1-CG2 4.31Å; Y100-I178 HydrophobicContact CD2-CB 4.49Å; Y100-I178 HydrophobicContact CD2-CD1 3.81Å; Y100-I178 HydrophobicContact CD2-CG1 4.27Å; Y100-I178 HydrophobicContact CE1-CB 3.86Å; Y100-I178 HydrophobicContact CE1-CG1 4.18Å; Y100-I178 HydrophobicContact CE1-CG2 3.7Å; Y100-I178 HydrophobicContact CE2-CB 4.31Å; Y100-I178 HydrophobicContact CE2-CD1 3.65Å; Y100-I178 HydrophobicContact CE2-CG1 3.82Å; Y100-I178 HydrophobicContact CG-CB 4.4Å; Y100-I178 HydrophobicContact CG-CD1 4.46Å; Y100-I178 PolarHBondContact N-O 2.7Å; Y100-I178 WeakPolarHBondContact O-CA 3.19Å; Y100-I178 WeakPolarHBondContact O-CB 3.11Å; Y100-I178 PolarHBondContact O-N 2.73Å; Y100-I178 VanDerWaalsContact O-O 3.1Å; Y100-K200 VanDerWaalsContact CE1-NZ 3.29Å; Y100-K200 PolarHBondContact OH-NZ 3.28Å; Y100-I230 HydrophobicContact CD2-CG2 4.01Å; Y100-Y231 CarbonylContact C-O 3.59Å; Y100-Y231 WeakPolarHBondContact CA-O 3.24Å; Y100-Y231 WeakPolarHBondContact CB-O 3.43Å
101S94.7Very high92.3Very high0 Ų043.7 Ų43.70%021%0.205CC..EExtended strand (participates in β ladder)trans-133.4155.5167.858.30000112.2I176 I230 Y231 S233S101-I176 CarbonylContact C-O 3.58Å; S101-I176 WeakPolarHBondContact CA-O 3.48Å; S101-I176 WeakPolarHBondContact CB-O 3.45Å; S101-I230 CarbonylContact O-C 3.58Å; S101-I230 VanDerWaalsContact O-CA 3.31Å; S101-I230 WeakPolarHBondContact O-CA 3.34Å; S101-Y231 PolarHBondContact N-O 3.41Å; S101-Y231 PolarHBondContact O-N 3.07Å; S101-S233 PolarHBondContact OG-O 2.8Å
102V95.8Very high92.3Very high3 Ų343.3 Ų43.32%0.01820%0.203CC..EExtended strand (participates in β ladder)trans-125.8120.5-178.7-175.60000108.6Y100 W120 I133 G175 I176 I178 L228 I230Y100-V102 HydrophobicContact CD2-CG2 4.05Å; Y100-V102 HydrophobicContact CE2-CG2 4.08Å; V102-W120 HydrophobicContact CG2-CE3 4.26Å; V102-W120 HydrophobicContact CG2-CZ3 4.02Å; V102-I133 HydrophobicContact CB-CD1 4.07Å; V102-I133 HydrophobicContact CG1-CD1 3.82Å; V102-I133 HydrophobicContact CG2-CD1 4.17Å; V102-G175 CarbonylContact O-C 3.54Å; V102-G175 WeakPolarHBondContact O-CA 3.43Å; V102-I176 PolarHBondContact N-O 3.23Å; V102-I176 PolarHBondContact O-N 2.72Å; V102-I178 HydrophobicContact CG2-CD1 4.17Å; V102-L228 HydrophobicContact CG1-CD1 4.41Å; V102-I230 HydrophobicContact CG1-CG1 4.25Å; V102-I230 HydrophobicContact CG2-CD1 4.24Å; V102-I230 HydrophobicContact CG2-CG1 4.07Å; V102-I230 HydrophobicContact CG2-CG2 4.36Å
103T95.1Very high92.2Very high0 Ų046.9 Ų46.90%022%0.218CC..EExtended strand (participates in β ladder)trans-113.7129.3177.9-52.10000110K173 L174 L228 K229 Y231 I237 E240T103-K173 HydrophobicContact CG2-CG 3.98Å; T103-L174 WeakPolarHBondContact CA-O 3.37Å; T103-L228 WeakPolarHBondContact O-CA 3.4Å; T103-K229 PolarHBondContact N-O 2.75Å; T103-K229 PolarHBondContact O-N 3.04Å; T103-Y231 WeakPolarHBondContact OG1-CE2 3.05Å; T103-I237 WeakPolarHBondContact OG1-CD1 3.45Å; T103-E240 HydrophobicContact CG2-CG 3.86Å; T103-E240 WeakPolarHBondContact OG1-CG 3.25Å
104A95.1Very high92.4Very high1 Ų151 Ų511%0.00823%0.227CC..EExtended strand (participates in β ladder)trans-131.3126.2172.700000111.1F106 L119 L174 Q227 L228A104-F106 HydrophobicContact CB-CD1 3.81Å; A104-F106 HydrophobicContact CB-CE1 3.92Å; A104-L119 HydrophobicContact CB-CD1 3.81Å; A104-L119 HydrophobicContact CB-CD2 3.73Å; A104-L119 HydrophobicContact CB-CG 4.25Å; A104-L174 PolarHBondContact N-O 3.07Å; A104-L174 PolarHBondContact O-N 3.26Å; A104-Q227 CarbonylContact C-O 3.56Å; A104-Q227 VanDerWaalsContact CA-O 3.29Å; A104-Q227 WeakPolarHBondContact CA-O 3.49Å; A104-L228 HydrophobicContact CB-CD1 3.68Å
105M93.4Very high92.7Very high8 Ų848.4 Ų48.44%0.03922%0.217CC..EExtended strand (participates in β ladder)trans-107.6116.8170.8-175.1175.4138.400109.5K74 W171 H172 K173 H226 Q227K74-M105 HydrophobicContact CD-CE 3.8Å; M105-W171 HydrophobicContact CE-CB 4.31Å; M105-W171 HydrophobicContact CE-CD2 4.1Å; M105-W171 HydrophobicContact CE-CE3 3.91Å; M105-W171 HydrophobicContact CE-CG 4.3Å; M105-W171 HydrophobicContact CG-CE3 4.2Å; M105-H172 VanDerWaalsContact CA-O 3.29Å; M105-H172 WeakPolarHBondContact CA-O 3.23Å; M105-K173 HydrophobicContact CB-CG 4.28Å; M105-K173 HydrophobicContact CG-CB 4.49Å; M105-H226 HydrophobicContact CB-CB 4.19Å; M105-H226 HydrophobicContact CE-CB 3.92Å; M105-H226 HydrophobicContact CG-CB 4.1Å; M105-H226 PolarHBondContact O-N 3.21Å; M105-H226 HydrophobicContact SD-CB 4.34Å; M105-H226 PolarHBondContact SD-CD2 2.91Å; M105-Q227 HydrophobicContact CB-CB 4.11Å; M105-Q227 PolarHBondContact N-O 2.77Å; M105-Q227 PolarHBondContact O-N 2.92Å
106F94.4Very high93.1Very high0 Ų051.8 Ų51.80%023%0.227CC..EExtended strand (participates in β ladder)trans-148.3158.4-175.658.7-92.1000113.9A104 V108 W117 L119 V135 L166 H172 L174 I223 E224 L225A104-F106 HydrophobicContact CB-CD1 3.81Å; A104-F106 HydrophobicContact CB-CE1 3.92Å; F106-V108 HydrophobicContact CD2-CG2 3.66Å; F106-V108 HydrophobicContact CE2-CG2 3.57Å; F106-W117 AromaticContact CD2-CH2 3.97Å; F106-W117 HydrophobicContact CD2-CH2 3.97Å; F106-W117 HydrophobicContact CD2-CZ2 4.37Å; F106-W117 HydrophobicContact CE1-CH2 4.35Å; F106-W117 AromaticContact CE2-CH2 3.58Å; F106-W117 HydrophobicContact CE2-CH2 3.58Å; F106-W117 AromaticContact CE2-CZ2 3.84Å; F106-W117 HydrophobicContact CE2-CZ2 3.84Å; F106-W117 AromaticContact CZ-CH2 3.78Å; F106-W117 HydrophobicContact CZ-CH2 3.78Å; F106-W117 HydrophobicContact CZ-CZ2 4.32Å; F106-L119 HydrophobicContact CD1-CD1 4.24Å; F106-L119 HydrophobicContact CE1-CD1 4.07Å; F106-L119 HydrophobicContact CE1-CD2 4.16Å; F106-V135 HydrophobicContact CZ-CG2 4.45Å; F106-L166 HydrophobicContact CE2-CD1 3.72Å; F106-L166 HydrophobicContact CE2-CG 4.16Å; F106-L166 HydrophobicContact CZ-CD1 3.68Å; F106-L166 HydrophobicContact CZ-CD2 4.3Å; F106-L166 HydrophobicContact CZ-CG 4.24Å; F106-H172 PolarHBondContact N-O 3.31Å; F106-H172 PolarHBondContact O-N 3.37Å; F106-H172 VanDerWaalsContact O-N 3.07Å; F106-L174 HydrophobicContact CE1-CB 4.1Å; F106-L174 HydrophobicContact CE1-CD2 4.21Å; F106-L174 HydrophobicContact CZ-CD2 4.23Å; F106-I223 HydrophobicContact CB-CD1 4.31Å; F106-E224 CarbonylContact C-O 3.47Å; F106-E224 WeakPolarHBondContact CA-O 3.07Å; F106-E224 VanDerWaalsContact CB-O 3.29Å; F106-E224 WeakPolarHBondContact CB-O 3.22Å; F106-L225 HydrophobicContact CB-CD1 4.04Å
107R92.6Very high93.3Very high40 Ų4050.9 Ų50.915%0.15122%0.222CC..EExtended strand (participates in β ladder)trans-117.8111.5174.3178.6164.985.1149.72.1109.6E71 R169 Q170 W171 E224E71-R107 IonicContact OE2-CZ 3.77Å; E71-R107 IonicContact OE2-NH1 3.93Å; E71-R107 PolarHBondContact OE2-NH1 3.48Å; E71-R107 IonicContact OE2-NH2 3.31Å; E71-R107 PolarHBondContact OE2-NH2 3.32Å; R107-R169 WeakPolarHBondContact CD-O 3.25Å; R107-R169 WeakPolarHBondContact CG-O 3.42Å; R107-Q170 WeakPolarHBondContact CA-O 3.34Å; R107-Q170 WeakPolarHBondContact CG-O 3.45Å; R107-W171 HydrophobicContact CB-CD2 3.73Å; R107-W171 HydrophobicContact CB-CE3 3.82Å; R107-W171 HydrophobicContact CB-CG 4.22Å; R107-W171 HydrophobicContact CB-CH2 4.32Å; R107-W171 HydrophobicContact CB-CZ2 4.24Å; R107-W171 HydrophobicContact CB-CZ3 4.11Å; R107-E224 HydrophobicContact CB-CB 4.3Å; R107-E224 IonicContact CZ-OE2 2.75Å; R107-E224 PolarHBondContact N-O 3.36Å; R107-E224 IonicContact NE-OE2 2.71Å; R107-E224 PolarHBondContact NE-OE2 3.44Å; R107-E224 IonicContact NH2-OE1 2.92Å; R107-E224 PolarHBondContact NH2-OE1 3.45Å; R107-E224 IonicContact NH2-OE2 2.83Å; R107-E224 PolarHBondContact NH2-OE2 3.22Å; R107-E224 PolarHBondContact O-N 3.49Å
108V94.1Very high93.6Very high1 Ų151.1 Ų51.11%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-77.2124.5-177.8-1770000110.4F106 A112 K113 W117 L166 F167 R169 I223F106-V108 HydrophobicContact CD2-CG2 3.66Å; F106-V108 HydrophobicContact CE2-CG2 3.57Å; V108-A112 HydrophobicContact CG1-CB 3.83Å; V108-K113 HydrophobicContact CG1-CB 4.48Å; V108-W117 HydrophobicContact CG2-CZ2 4.22Å; V108-L166 VanDerWaalsContact CG2-O 3.25Å; V108-L166 WeakPolarHBondContact CG2-O 3.46Å; V108-F167 HydrophobicContact CG1-CD1 4.33Å; V108-R169 WeakPolarHBondContact O-CA 3.41Å; V108-R169 WeakPolarHBondContact O-CG 3.49Å; V108-I223 HydrophobicContact CG1-CG2 4.48Å; V108-I223 HydrophobicContact CG2-CG2 4.44Å
109R92.6Very high94.1Very high101 Ų10144.9 Ų44.938%0.38119%0.191SC..  trans-87.8178.1-178.9-60170.5152-168.1-3.2112.8N111 K113 D222 E224R109-N111 VanDerWaalsContact C-N 3.28Å; R109-N111 PolarHBondContact O-N 3.31Å; R109-K113 WeakPolarHBondContact O-CB 3.45Å; R109-K113 PolarHBondContact O-N 2.88Å; R109-K113 VanDerWaalsContact O-N 3.09Å; R109-D222 VanDerWaalsContact CB-O 3.28Å; R109-D222 WeakPolarHBondContact CB-O 3.4Å; R109-D222 WeakPolarHBondContact CB-OD2 3.48Å; R109-D222 VanDerWaalsContact CD-CG 3.48Å; R109-D222 WeakPolarHBondContact CD-OD1 3.49Å; R109-D222 IonicContact CZ-OD1 2.74Å; R109-D222 PolarHBondContact N-O 3.23Å; R109-D222 IonicContact NE-OD1 3.95Å; R109-D222 IonicContact NH1-OD1 3.48Å; R109-D222 PolarHBondContact NH1-OD1 3.33Å; R109-E224 IonicContact CZ-OE1 3.73Å; R109-E224 IonicContact NE-OE1 2.7Å; R109-E224 PolarHBondContact NE-OE1 3.21Å; R109-E224 IonicContact NH2-OE1 2.73Å; R109-E224 PolarHBondContact NH2-OE1 3.32Å
110R90.4Very high94.4Very high199 Ų19941.4 Ų41.475%0.75118%0.175SC*.THydrogen-bonded Turntrans-56.1-39.1-172.6-176.3-177.5-72.9-165.2-0.3112.8
111N88.5Confident94.6Very high101 Ų10142.2 Ų42.254%0.5418%0.179SC..THydrogen-bonded Turntrans-75.5-56-176.3-55.9-45.9000110.6R109 K113 K114 D222R109-N111 VanDerWaalsContact C-N 3.28Å; R109-N111 PolarHBondContact O-N 3.31Å; N111-K113 PolarHBondContact O-N 3.14Å; N111-K114 PolarHBondContact O-N 3.22Å; N111-D222 HydrophobicContact CB-CB 4.25Å; N111-D222 PolarHBondContact ND2-OD2 3.14Å
112A92.2Very high94.7Very high0 Ų042.2 Ų42.20%018%0.179CC..G310 helixtrans-58.2-21.2178.500000114.6V108 K114 E115 V221 D222 I223V108-A112 HydrophobicContact CG1-CB 3.83Å; A112-K114 PolarHBondContact O-N 3.16Å; A112-E115 WeakPolarHBondContact CA-OE2 3.1Å; A112-E115 PolarHBondContact O-N 2.97Å; A112-E115 VanDerWaalsContact O-N 3.09Å; A112-V221 HydrophobicContact CB-CG2 3.54Å; A112-D222 WeakPolarHBondContact CB-O 3.13Å; A112-I223 HydrophobicContact CB-CG2 3.89Å
113K93.6Very high94.6Very high75 Ų7543.2 Ų43.233%0.32618%0.184SC..G310 helixtrans-54.7-22.2178.2-179.5162.5-177.3147.80114.6V108 R109 N111 G137 K140 F167V108-K113 HydrophobicContact CG1-CB 4.48Å; R109-K113 WeakPolarHBondContact O-CB 3.45Å; R109-K113 PolarHBondContact O-N 2.88Å; R109-K113 VanDerWaalsContact O-N 3.09Å; N111-K113 PolarHBondContact O-N 3.14Å; K113-G137 CarbonylContact O-C 3.57Å; K113-G137 VanDerWaalsContact O-O 3.06Å; K113-K140 PolarHBondContact O-NZ 2.8Å; K113-F167 WeakPolarHBondContact CD-O 3.19Å; K113-F167 WeakPolarHBondContact CE-O 3.39Å; K113-F167 HydrophobicContact CG-CB 4.35Å; K113-F167 PolarHBondContact NZ-O 3.13Å
114K94.1Very high94.5Very high177 Ų17743.9 Ų43.977%0.7719%0.187SC*.G310 helixtrans-116.8-7174.1-70-173.3178.3-177.30114.2N111 A112 G138N111-K114 PolarHBondContact O-N 3.22Å; A112-K114 PolarHBondContact O-N 3.16Å; K114-G138 PolarHBondContact O-N 3.15Å
115E95.4Very high94.4Very high48 Ų4850.1 Ų50.122%0.22422%0.216CC..  trans-78160.3-177.8-65.4-179.513800111.7A112 G137 R214A112-E115 WeakPolarHBondContact CA-OE2 3.1Å; A112-E115 PolarHBondContact O-N 2.97Å; A112-E115 VanDerWaalsContact O-N 3.09Å; E115-G137 WeakPolarHBondContact O-CA 3.21Å; E115-G137 PolarHBondContact O-N 3.12Å; E115-R214 VanDerWaalsContact CD-CD 3.42Å; E115-R214 VanDerWaalsContact OE1-CD 3.22Å; E115-R214 WeakPolarHBondContact OE1-CD 3.43Å; E115-R214 IonicContact OE1-CZ 2.72Å; E115-R214 IonicContact OE1-NE 3.43Å; E115-R214 IonicContact OE1-NH1 3.23Å; E115-R214 PolarHBondContact OE1-NH1 3.11Å; E115-R214 WeakPolarHBondContact OE2-CD 3.46Å
116R96.8Very high94.4Very high78 Ų7855.5 Ų55.529%0.29424%0.242SC..EExtended strand (participates in β ladder)trans-106.5124.5167.4-176.2-174.3172.490.9-0.8108.1V134 D136 E143 V215R116-V134 HydrophobicContact CG-CG1 3.69Å; R116-D136 WeakPolarHBondContact CD-OD2 3.26Å; R116-D136 HydrophobicContact CG-CB 4.18Å; R116-D136 IonicContact CZ-OD2 2.93Å; R116-D136 IonicContact NH1-OD2 3.46Å; R116-D136 PolarHBondContact NH1-OD2 2.85Å; R116-E143 IonicContact CZ-OE1 3.3Å; R116-E143 IonicContact CZ-OE2 2.67Å; R116-E143 IonicContact NH1-OE1 3.91Å; R116-E143 PolarHBondContact NH1-OE1 2.85Å; R116-E143 IonicContact NH1-OE2 2.91Å; R116-E143 PolarHBondContact NH1-OE2 2.81Å; R116-E143 IonicContact NH2-OE1 2.79Å; R116-E143 IonicContact NH2-OE2 3.35Å; R116-E143 PolarHBondContact NH2-OE2 2.84Å; R116-V215 HydrophobicContact CB-CG2 4.49Å; R116-V215 HydrophobicContact CG-CB 4.46Å; R116-V215 HydrophobicContact CG-CG2 3.94Å; R116-V215 WeakPolarHBondContact O-CB 3.45Å; R116-V215 WeakPolarHBondContact O-CG2 3.45Å; R116-V215 PolarHBondContact O-N 2.79Å
117W97.1Very high94.2Very high0 Ų059 Ų590%026%0.261CS..EExtended strand (participates in β ladder)trans-144.3150.1-171.753.2-85.6000112F106 V108 L119 V134 V135 T213 R214 V221 I223F106-W117 AromaticContact CD2-CH2 3.97Å; F106-W117 HydrophobicContact CD2-CH2 3.97Å; F106-W117 HydrophobicContact CD2-CZ2 4.37Å; F106-W117 HydrophobicContact CE1-CH2 4.35Å; F106-W117 AromaticContact CE2-CH2 3.58Å; F106-W117 HydrophobicContact CE2-CH2 3.58Å; F106-W117 AromaticContact CE2-CZ2 3.84Å; F106-W117 HydrophobicContact CE2-CZ2 3.84Å; F106-W117 AromaticContact CZ-CH2 3.78Å; F106-W117 HydrophobicContact CZ-CH2 3.78Å; F106-W117 HydrophobicContact CZ-CZ2 4.32Å; V108-W117 HydrophobicContact CG2-CZ2 4.22Å; W117-L119 HydrophobicContact CE3-CB 4.41Å; W117-L119 HydrophobicContact CH2-CD1 4.36Å; W117-L119 HydrophobicContact CZ3-CB 3.89Å; W117-L119 HydrophobicContact CZ3-CD1 3.86Å; W117-L119 HydrophobicContact CZ3-CG 4.48Å; W117-V134 WeakPolarHBondContact O-CA 3.49Å; W117-V134 WeakPolarHBondContact O-CG1 3.44Å; W117-V135 HydrophobicContact CD2-CB 3.97Å; W117-V135 HydrophobicContact CE3-CB 4.34Å; W117-V135 HydrophobicContact CH2-CB 4.1Å; W117-V135 HydrophobicContact CH2-CG1 4.37Å; W117-V135 HydrophobicContact CH2-CG2 3.93Å; W117-V135 HydrophobicContact CZ2-CB 3.69Å; W117-V135 HydrophobicContact CZ2-CG1 3.63Å; W117-V135 HydrophobicContact CZ2-CG2 4.01Å; W117-V135 HydrophobicContact CZ3-CB 4.4Å; W117-V135 HydrophobicContact CZ3-CG2 4.19Å; W117-V135 PolarHBondContact N-O 3.36Å; W117-V135 PolarHBondContact O-N 3.47Å; W117-T213 CarbonylContact C-O 3.57Å; W117-T213 WeakPolarHBondContact CA-O 3.47Å; W117-T213 WeakPolarHBondContact CB-O 3.4Å; W117-R214 HydrophobicContact CB-CG 4.46Å; W117-V221 HydrophobicContact CB-CB 4.06Å; W117-V221 HydrophobicContact CB-CG1 4.37Å; W117-V221 HydrophobicContact CB-CG2 3.95Å; W117-V221 HydrophobicContact CD2-CB 4.38Å; W117-V221 HydrophobicContact CD2-CG1 3.9Å; W117-V221 HydrophobicContact CD2-CG2 4.1Å; W117-V221 HydrophobicContact CE3-CG1 3.77Å; W117-V221 HydrophobicContact CG-CB 4.17Å; W117-V221 HydrophobicContact CG-CG1 4.2Å; W117-V221 HydrophobicContact CG-CG2 3.71Å; W117-V221 HydrophobicContact CZ3-CG1 4.29Å; W117-I223 HydrophobicContact CH2-CD1 3.72Å; W117-I223 HydrophobicContact CH2-CG2 4.31Å; W117-I223 HydrophobicContact CZ2-CD1 4.48Å; W117-I223 HydrophobicContact CZ2-CG2 4.06Å; W117-I223 HydrophobicContact CZ3-CD1 3.74Å
118F97.7Very high94.1Very high35 Ų3561 Ų6115%0.15427%0.273CS..EExtended strand (participates in β ladder)trans-82.4119.9172.2-57.3-59.6000108.9Q121 S132 I133 V134 A212 T213 V215F118-Q121 HydrophobicContact CB-CB 4.34Å; F118-Q121 HydrophobicContact CD1-CB 4.41Å; F118-Q121 HydrophobicContact CG-CB 4.32Å; F118-Q121 VanDerWaalsContact CZ-NE2 3.25Å; F118-S132 VanDerWaalsContact CD1-OG 3.22Å; F118-S132 WeakPolarHBondContact CD1-OG 3.43Å; F118-S132 WeakPolarHBondContact CE1-OG 3.44Å; F118-I133 CarbonylContact C-O 3.58Å; F118-I133 WeakPolarHBondContact CA-O 3.36Å; F118-V134 HydrophobicContact CD1-CG1 4.45Å; F118-V134 HydrophobicContact CD1-CG2 3.97Å; F118-V134 HydrophobicContact CE1-CG2 4.01Å; F118-A212 CarbonylContact O-C 3.55Å; F118-A212 WeakPolarHBondContact O-CA 3.43Å; F118-A212 PolarHBondContact O-N 2.8Å; F118-A212 VanDerWaalsContact O-N 3.11Å; F118-T213 PolarHBondContact N-O 3.28Å; F118-T213 PolarHBondContact O-N 3.43Å; F118-V215 HydrophobicContact CD1-CG2 4.12Å; F118-V215 HydrophobicContact CD2-CG2 4.03Å; F118-V215 HydrophobicContact CE1-CG2 3.83Å; F118-V215 HydrophobicContact CE2-CB 4.29Å; F118-V215 HydrophobicContact CE2-CG1 4.37Å; F118-V215 HydrophobicContact CE2-CG2 3.74Å; F118-V215 HydrophobicContact CG-CG2 4.22Å; F118-V215 HydrophobicContact CZ-CB 4.34Å; F118-V215 HydrophobicContact CZ-CG1 4.09Å; F118-V215 HydrophobicContact CZ-CG2 3.64Å
119L97.6Very high94Very high3 Ų362.6 Ų62.62%0.01628%0.284CS..EExtended strand (participates in β ladder)trans-69.5-46.6167.8174.361.4000109.5A104 F106 W117 I133 V135 L174 I211 A212 L228A104-L119 HydrophobicContact CB-CD1 3.81Å; A104-L119 HydrophobicContact CB-CD2 3.73Å; A104-L119 HydrophobicContact CB-CG 4.25Å; F106-L119 HydrophobicContact CD1-CD1 4.24Å; F106-L119 HydrophobicContact CE1-CD1 4.07Å; F106-L119 HydrophobicContact CE1-CD2 4.16Å; W117-L119 HydrophobicContact CE3-CB 4.41Å; W117-L119 HydrophobicContact CH2-CD1 4.36Å; W117-L119 HydrophobicContact CZ3-CB 3.89Å; W117-L119 HydrophobicContact CZ3-CD1 3.86Å; W117-L119 HydrophobicContact CZ3-CG 4.48Å; L119-I133 HydrophobicContact CB-CB 4.33Å; L119-I133 HydrophobicContact CB-CG2 4.2Å; L119-I133 HydrophobicContact CD2-CG2 4.12Å; L119-I133 PolarHBondContact N-O 3.35Å; L119-V135 HydrophobicContact CB-CG2 4.26Å; L119-L174 HydrophobicContact CD2-CD2 4.18Å; L119-I211 WeakPolarHBondContact O-CA 3.31Å; L119-A212 PolarHBondContact O-N 3.02Å; L119-L228 HydrophobicContact CD1-CD1 4.24Å; L119-L228 HydrophobicContact CG-CD1 4.37Å
120W98Very high94.1Very high0 Ų058.2 Ų58.20%027%0.267CS..EExtended strand (participates in β ladder)trans-151.2147170.5169.455.2000109.7L59 F92 L96 Y100 V102 V122 I131 I133 T209 V210 I211 I230L59-W120 HydrophobicContact CD1-CG 4.24Å; F92-W120 AromaticContact CE2-CZ2 3.94Å; F92-W120 HydrophobicContact CE2-CZ2 3.94Å; F92-W120 AromaticContact CZ-CZ2 3.84Å; F92-W120 HydrophobicContact CZ-CZ2 3.84Å; L96-W120 HydrophobicContact CD1-CH2 3.6Å; L96-W120 HydrophobicContact CD1-CZ2 4.04Å; Y100-W120 HydrophobicContact CE2-CH2 4.38Å; Y100-W120 HydrophobicContact CE2-CZ3 4.21Å; V102-W120 HydrophobicContact CG2-CE3 4.26Å; V102-W120 HydrophobicContact CG2-CZ3 4.02Å; W120-V122 HydrophobicContact CH2-CG2 4.18Å; W120-V122 HydrophobicContact CZ2-CG2 3.33Å; W120-I131 HydrophobicContact CE3-CG2 4.4Å; W120-I131 HydrophobicContact CH2-CD1 3.86Å; W120-I131 HydrophobicContact CH2-CG2 4.05Å; W120-I131 HydrophobicContact CZ3-CG2 3.78Å; W120-I133 HydrophobicContact CE3-CD1 3.82Å; W120-I133 HydrophobicContact CE3-CG1 4.22Å; W120-I133 PolarHBondContact O-N 3.34Å; W120-T209 PolarHBondContact NE1-OG1 3.1Å; W120-T209 VanDerWaalsContact NE1-OG1 3.1Å; W120-V210 CarbonylContact C-O 3.57Å; W120-V210 WeakPolarHBondContact CA-O 3.48Å; W120-I211 HydrophobicContact CB-CG2 4.31Å; W120-I211 HydrophobicContact CG-CG2 4.4Å; W120-I230 HydrophobicContact CD2-CD1 4.03Å; W120-I230 HydrophobicContact CE3-CD1 3.97Å; W120-I230 HydrophobicContact CH2-CD1 3.56Å; W120-I230 HydrophobicContact CZ2-CD1 3.59Å; W120-I230 HydrophobicContact CZ3-CD1 3.76Å
121Q96.7Very high94.3Very high16 Ų1648.7 Ų48.78%0.07523%0.232CC..EExtended strand (participates in β ladder)trans-151.7141.4174.2161.3179.587.200110.6F118 L123 I131 S132 T209 V210F118-Q121 HydrophobicContact CB-CB 4.34Å; F118-Q121 HydrophobicContact CD1-CB 4.41Å; F118-Q121 HydrophobicContact CG-CB 4.32Å; F118-Q121 VanDerWaalsContact CZ-NE2 3.25Å; Q121-L123 HydrophobicContact CG-CD2 3.76Å; Q121-L123 HydrophobicContact CG-CG 4.2Å; Q121-I131 CarbonylContact C-O 3.55Å; Q121-I131 VanDerWaalsContact CA-O 3.28Å; Q121-I131 WeakPolarHBondContact CA-O 3.4Å; Q121-S132 PolarHBondContact NE2-OG 2.83Å; Q121-S132 VanDerWaalsContact NE2-OG 3.15Å; Q121-T209 WeakPolarHBondContact O-CA 3.38Å; Q121-V210 HydrophobicContact CB-CG2 3.7Å; Q121-V210 HydrophobicContact CG-CG2 4.11Å; Q121-V210 PolarHBondContact N-O 3.07Å; Q121-V210 PolarHBondContact O-N 2.8Å
122V96.6Very high94.7Very high0 Ų043.9 Ų43.90%021%0.206CC..EExtended strand (participates in β ladder)trans-106.8128.1169.1-179.30000108.3T88 W120 P129 Q130 I131 V203T88-V122 HydrophobicContact CG2-CG1 3.81Å; W120-V122 HydrophobicContact CH2-CG2 4.18Å; W120-V122 HydrophobicContact CZ2-CG2 3.33Å; V122-P129 CarbonylContact O-C 3.51Å; V122-P129 WeakPolarHBondContact O-CA 3.47Å; V122-Q130 HydrophobicContact CB-CB 4.46Å; V122-Q130 HydrophobicContact CG1-CB 4.28Å; V122-Q130 PolarHBondContact O-N 3.4Å; V122-I131 HydrophobicContact CB-CB 4.25Å; V122-I131 HydrophobicContact CG2-CB 4.35Å; V122-I131 HydrophobicContact CG2-CD1 4.31Å; V122-I131 PolarHBondContact N-O 3.37Å; V122-I131 PolarHBondContact O-N 3.3Å; V122-V203 HydrophobicContact CG1-CG1 4.48Å
123L94.9Very high95Very high24 Ų2443.9 Ų43.913%0.12621%0.206CC..EExtended strand (participates in β ladder)trans-110.2143.6172.1-55176.9000108.9Q121 I128 P129 G207 R208Q121-L123 HydrophobicContact CG-CD2 3.76Å; Q121-L123 HydrophobicContact CG-CG 4.2Å; L123-I128 WeakPolarHBondContact CA-O 3.49Å; L123-P129 HydrophobicContact CD2-CB 3.93Å; L123-G207 CarbonylContact O-C 3.6Å; L123-G207 VanDerWaalsContact O-CA 3.27Å; L123-G207 WeakPolarHBondContact O-CA 3.47Å; L123-R208 WeakPolarHBondContact CA-O 3.2Å; L123-R208 WeakPolarHBondContact CB-O 3.35Å; L123-R208 PolarHBondContact N-O 3.38Å; L123-R208 PolarHBondContact O-N 2.85Å
124N93.4Very high95.2Very high14 Ų1440.6 Ų40.68%0.07519%0.192CC..EExtended strand (participates in β ladder)trans-78.1-178.2169.773.34.4000112.3Q126 N127 I128 Q130 D204N124-Q126 PolarHBondContact ND2-OE1 3.2Å; N124-Q126 VanDerWaalsContact ND2-OE1 3.13Å; N124-Q126 PolarHBondContact O-N 2.99Å; N124-Q126 WeakPolarHBondContact OD1-CA 3.48Å; N124-Q126 PolarHBondContact OD1-N 3.04Å; N124-Q126 PolarHBondContact OD1-OE1 2.87Å; N124-N127 WeakPolarHBondContact O-CA 3.43Å; N124-N127 PolarHBondContact O-N 3.01Å; N124-N127 PolarHBondContact OD1-N 3.37Å; N124-N127 VanDerWaalsContact OD1-N 3.12Å; N124-I128 PolarHBondContact N-O 2.78Å; N124-I128 WeakPolarHBondContact OD1-CB 3.49Å; N124-I128 PolarHBondContact OD1-N 2.87Å; N124-I128 PolarHBondContact OD1-O 3.05Å; N124-Q130 HydrophobicContact CB-CG 3.89Å; N124-D204 HydrophobicContact CB-CB 3.97Å; N124-D204 WeakPolarHBondContact CB-OD2 3.35Å
125Q93.3Very high95.4Very high132 Ų13232.1 Ų32.162%0.61716%0.155SC*.THydrogen-bonded Turntrans-53.5-36.5178.1-120.9161109.700113.5N127 H206Q125-N127 VanDerWaalsContact C-N 3.25Å; Q125-N127 PolarHBondContact O-N 3.4Å; Q125-H206 WeakPolarHBondContact CA-O 3.27Å; Q125-H206 WeakPolarHBondContact CB-O 3.41Å; Q125-H206 WeakPolarHBondContact CG-O 3.2Å; Q125-H206 PolarHBondContact N-O 3.07Å; Q125-H206 VanDerWaalsContact N-O 3.15Å; Q125-H206 VanDerWaalsContact NE2-CB 3.32Å; Q125-H206 PolarHBondContact NE2-O 2.74Å; Q125-H206 VanDerWaalsContact NE2-O 3.09Å
126Q91.9Very high95.4Very high122 Ų12230.3 Ų30.357%0.5715%0.147SC*.THydrogen-bonded Turntrans-84.11.5-179.5-56.878.46.700112.7N124 I128N124-Q126 PolarHBondContact ND2-OE1 3.2Å; N124-Q126 VanDerWaalsContact ND2-OE1 3.13Å; N124-Q126 PolarHBondContact O-N 2.99Å; N124-Q126 WeakPolarHBondContact OD1-CA 3.48Å; N124-Q126 PolarHBondContact OD1-N 3.04Å; N124-Q126 PolarHBondContact OD1-OE1 2.87Å; Q126-I128 VanDerWaalsContact C-N 3.29Å; Q126-I128 HydrophobicContact CB-CD1 4.21Å; Q126-I128 HydrophobicContact CB-CG1 4.19Å
127N91.3Very high95.3Very high74 Ų7426.6 Ų26.640%0.39613%0.133SC..SBendtrans66.423.4-175.5-50.4-82.7000114.9N124 Q125 R208N124-N127 WeakPolarHBondContact O-CA 3.43Å; N124-N127 PolarHBondContact O-N 3.01Å; N124-N127 PolarHBondContact OD1-N 3.37Å; N124-N127 VanDerWaalsContact OD1-N 3.12Å; Q125-N127 VanDerWaalsContact C-N 3.25Å; Q125-N127 PolarHBondContact O-N 3.4Å; N127-R208 PolarHBondContact OD1-NE 2.78Å; N127-R208 PolarHBondContact OD1-NH2 2.88Å
128I91Very high95.1Very high81 Ų8129.2 Ų29.242%0.41516%0.16SC..  trans-81.1130.6169.3-53.8172.8000107.5L123 N124 Q126 Q130L123-I128 WeakPolarHBondContact CA-O 3.49Å; N124-I128 PolarHBondContact N-O 2.78Å; N124-I128 WeakPolarHBondContact OD1-CB 3.49Å; N124-I128 PolarHBondContact OD1-N 2.87Å; N124-I128 PolarHBondContact OD1-O 3.05Å; Q126-I128 VanDerWaalsContact C-N 3.29Å; Q126-I128 HydrophobicContact CB-CD1 4.21Å; Q126-I128 HydrophobicContact CB-CG1 4.19Å; I128-Q130 PolarHBondContact O-N 2.81Å
129P92Very high95Very high35 Ų3533.1 Ų33.123%0.22718%0.177CC..EExtended strand (participates in β ladder)trans-69.1131.8178.728.9-34.6000111.4V122 L123 M145V122-P129 CarbonylContact O-C 3.51Å; V122-P129 WeakPolarHBondContact O-CA 3.47Å; L123-P129 HydrophobicContact CD2-CB 3.93Å; P129-M145 HydrophobicContact CB-CE 3.75Å; P129-M145 HydrophobicContact CB-SD 4.08Å; P129-M145 HydrophobicContact CG-CE 3.69Å; P129-M145 HydrophobicContact CG-SD 4.26Å
130Q93.8Very high94.9Very high8 Ų835.2 Ų35.24%0.03719%0.186CC..EExtended strand (participates in β ladder)trans-100.3-37177.2-60-68.8-82.200111.7V122 N124 I128 F146 Q147 V203 D204V122-Q130 HydrophobicContact CB-CB 4.46Å; V122-Q130 HydrophobicContact CG1-CB 4.28Å; V122-Q130 PolarHBondContact O-N 3.4Å; N124-Q130 HydrophobicContact CB-CG 3.89Å; I128-Q130 PolarHBondContact O-N 2.81Å; Q130-F146 WeakPolarHBondContact O-CA 3.27Å; Q130-Q147 PolarHBondContact O-N 3.47Å; Q130-V203 HydrophobicContact CB-CG1 3.85Å; Q130-V203 HydrophobicContact CG-CG1 4.44Å; Q130-D204 HydrophobicContact CG-CB 4.48Å
131I95Very high94.8Very high0 Ų035.4 Ų35.40%019%0.187CC..EExtended strand (participates in β ladder)trans-140.5139.6175-53.3172.8000107.2L96 W120 Q121 V122 F144 M145 V203L96-I131 HydrophobicContact CD1-CD1 4.39Å; W120-I131 HydrophobicContact CE3-CG2 4.4Å; W120-I131 HydrophobicContact CH2-CD1 3.86Å; W120-I131 HydrophobicContact CH2-CG2 4.05Å; W120-I131 HydrophobicContact CZ3-CG2 3.78Å; Q121-I131 CarbonylContact C-O 3.55Å; Q121-I131 VanDerWaalsContact CA-O 3.28Å; Q121-I131 WeakPolarHBondContact CA-O 3.4Å; V122-I131 HydrophobicContact CB-CB 4.25Å; V122-I131 HydrophobicContact CG2-CB 4.35Å; V122-I131 HydrophobicContact CG2-CD1 4.31Å; V122-I131 PolarHBondContact N-O 3.37Å; V122-I131 PolarHBondContact O-N 3.3Å; I131-F144 HydrophobicContact CG2-CZ 4.45Å; I131-M145 CarbonylContact C-O 3.5Å; I131-M145 WeakPolarHBondContact CA-O 3.13Å; I131-V203 HydrophobicContact CD1-CG1 4.12Å; I131-V203 HydrophobicContact CD1-CG2 4.07Å; I131-V203 HydrophobicContact CG1-CG1 4.29Å; I131-V203 HydrophobicContact CG1-CG2 3.94Å
132S96.4Very high94.9Very high0 Ų034.7 Ų34.70%018%0.183CC..EExtended strand (participates in β ladder)trans-149.8131.8171.9-164.80000112.8F118 Q121 F144 M145F118-S132 VanDerWaalsContact CD1-OG 3.22Å; F118-S132 WeakPolarHBondContact CD1-OG 3.43Å; F118-S132 WeakPolarHBondContact CE1-OG 3.44Å; Q121-S132 PolarHBondContact NE2-OG 2.83Å; Q121-S132 VanDerWaalsContact NE2-OG 3.15Å; S132-F144 WeakPolarHBondContact O-CA 3.29Å; S132-M145 PolarHBondContact N-O 3.09Å; S132-M145 PolarHBondContact O-N 3.05Å
133I97.9Very high94.9Very high0 Ų034.9 Ų34.90%019%0.185CC..EExtended strand (participates in β ladder)trans-108110.6167.4-49.7177.9000107.7V102 F118 L119 W120 V142 F144 I176V102-I133 HydrophobicContact CB-CD1 4.07Å; V102-I133 HydrophobicContact CG1-CD1 3.82Å; V102-I133 HydrophobicContact CG2-CD1 4.17Å; F118-I133 CarbonylContact C-O 3.58Å; F118-I133 WeakPolarHBondContact CA-O 3.36Å; L119-I133 HydrophobicContact CB-CB 4.33Å; L119-I133 HydrophobicContact CB-CG2 4.2Å; L119-I133 HydrophobicContact CD2-CG2 4.12Å; L119-I133 PolarHBondContact N-O 3.35Å; W120-I133 HydrophobicContact CE3-CD1 3.82Å; W120-I133 HydrophobicContact CE3-CG1 4.22Å; W120-I133 PolarHBondContact O-N 3.34Å; I133-V142 HydrophobicContact CG2-CG1 4.24Å; I133-F144 HydrophobicContact CG1-CD2 3.94Å; I133-F144 HydrophobicContact CG1-CE2 4.18Å; I133-I176 HydrophobicContact CD1-CD1 4.04Å; I133-I176 HydrophobicContact CG1-CD1 4.33Å; I133-I176 HydrophobicContact CG2-CD1 3.74Å
134V98Very high95Very high5 Ų533.8 Ų33.83%0.0318%0.179CC..EExtended strand (participates in β ladder)trans-105.6132.1179.5-159.40000109.9R116 W117 F118 V142 E143 V215R116-V134 HydrophobicContact CG-CG1 3.69Å; W117-V134 WeakPolarHBondContact O-CA 3.49Å; W117-V134 WeakPolarHBondContact O-CG1 3.44Å; F118-V134 HydrophobicContact CD1-CG1 4.45Å; F118-V134 HydrophobicContact CD1-CG2 3.97Å; F118-V134 HydrophobicContact CE1-CG2 4.01Å; V134-V142 CarbonylContact O-C 3.56Å; V134-V142 WeakPolarHBondContact O-CA 3.46Å; V134-E143 HydrophobicContact CB-CB 4.11Å; V134-E143 HydrophobicContact CG2-CB 4.33Å; V134-E143 PolarHBondContact N-O 2.87Å; V134-E143 PolarHBondContact O-N 3.5Å; V134-V215 HydrophobicContact CG1-CG2 4.32Å
135V97.8Very high95Very high0 Ų034.4 Ų34.40%018%0.181CC..EExtended strand (participates in β ladder)trans-104.9116.9167.1-179.30000107.5F106 W117 L119 L166 F167F106-V135 HydrophobicContact CZ-CG2 4.45Å; W117-V135 HydrophobicContact CD2-CB 3.97Å; W117-V135 HydrophobicContact CE3-CB 4.34Å; W117-V135 HydrophobicContact CH2-CB 4.1Å; W117-V135 HydrophobicContact CH2-CG1 4.37Å; W117-V135 HydrophobicContact CH2-CG2 3.93Å; W117-V135 HydrophobicContact CZ2-CB 3.69Å; W117-V135 HydrophobicContact CZ2-CG1 3.63Å; W117-V135 HydrophobicContact CZ2-CG2 4.01Å; W117-V135 HydrophobicContact CZ3-CB 4.4Å; W117-V135 HydrophobicContact CZ3-CG2 4.19Å; W117-V135 PolarHBondContact N-O 3.36Å; W117-V135 PolarHBondContact O-N 3.47Å; L119-V135 HydrophobicContact CB-CG2 4.26Å; V135-L166 HydrophobicContact CG1-CD2 4.44Å; V135-F167 HydrophobicContact CG1-CE1 3.64Å; V135-F167 HydrophobicContact CG1-CZ 3.52Å
136D96.9Very high95Very high9 Ų928.3 Ų28.35%0.04815%0.153CC..EExtended strand (participates in β ladder)trans-106.896.5-179.1-169.2-45.5000109.9R116 G138 K139 K140 V141R116-D136 WeakPolarHBondContact CD-OD2 3.26Å; R116-D136 HydrophobicContact CG-CB 4.18Å; R116-D136 IonicContact CZ-OD2 2.93Å; R116-D136 IonicContact NH1-OD2 3.46Å; R116-D136 PolarHBondContact NH1-OD2 2.85Å; D136-G138 VanDerWaalsContact C-N 3.26Å; D136-G138 PolarHBondContact O-N 2.95Å; D136-G138 WeakPolarHBondContact OD1-CA 3.33Å; D136-G138 PolarHBondContact OD1-N 3.44Å; D136-K139 HydrophobicContact CB-CB 4.43Å; D136-K139 PolarHBondContact O-N 3.07Å; D136-K139 WeakPolarHBondContact OD1-CG 3.34Å; D136-K139 PolarHBondContact OD1-N 3.21Å; D136-K139 IonicContact OD2-NZ 2.64Å; D136-K139 PolarHBondContact OD2-NZ 3.15Å; D136-K140 WeakPolarHBondContact O-CA 3.46Å; D136-K140 PolarHBondContact O-N 3.09Å; D136-V141 HydrophobicContact CB-CG2 3.82Å; D136-V141 PolarHBondContact N-O 2.78Å; D136-V141 PolarHBondContact O-N 2.93Å
137G94Very high94.8Very high1 Ų124.3 Ų24.31%0.0113%0.134CC..THydrogen-bonded Turntrans-69.4-20.517900000114.1K113 E115 K140K113-G137 CarbonylContact O-C 3.57Å; K113-G137 VanDerWaalsContact O-O 3.06Å; E115-G137 WeakPolarHBondContact O-CA 3.21Å; E115-G137 PolarHBondContact O-N 3.12Å; G137-K140 WeakPolarHBondContact O-CE 3.31Å; G137-K140 PolarHBondContact O-NZ 2.97Å
138G93.8Very high94.3Very high54 Ų5421.3 Ų21.356%0.55712%0.119SC*.THydrogen-bonded Turntrans-70.4-49.8172.700000111.4K114 D136K114-G138 PolarHBondContact O-N 3.15Å; D136-G138 VanDerWaalsContact C-N 3.26Å; D136-G138 PolarHBondContact O-N 2.95Å; D136-G138 WeakPolarHBondContact OD1-CA 3.33Å; D136-G138 PolarHBondContact OD1-N 3.44Å
139K95.2Very high93.6Very high117 Ų11721.5 Ų21.551%0.50912%0.124SC..THydrogen-bonded Turntrans-86.1-17.3-177-58.8-170.3-158.5990114.7D136 V141 E143D136-K139 HydrophobicContact CB-CB 4.43Å; D136-K139 PolarHBondContact O-N 3.07Å; D136-K139 WeakPolarHBondContact OD1-CG 3.34Å; D136-K139 PolarHBondContact OD1-N 3.21Å; D136-K139 IonicContact OD2-NZ 2.64Å; D136-K139 PolarHBondContact OD2-NZ 3.15Å; K139-V141 HydrophobicContact CB-CG1 4.07Å; K139-V141 HydrophobicContact CB-CG2 3.95Å; K139-V141 HydrophobicContact CD-CG2 4.46Å; K139-E143 IonicContact NZ-OE1 3.91Å; K139-E143 PolarHBondContact NZ-OE1 3.41Å
140K94.9Very high92.7Very high47 Ų4728.3 Ų28.320%0.20415%0.153CC..THydrogen-bonded Turntrans6150.8-170.5-52.9-61.7173.8-154.20112.6K113 D136 G137 R164 F167K113-K140 PolarHBondContact O-NZ 2.8Å; D136-K140 WeakPolarHBondContact O-CA 3.46Å; D136-K140 PolarHBondContact O-N 3.09Å; G137-K140 WeakPolarHBondContact O-CE 3.31Å; G137-K140 PolarHBondContact O-NZ 2.97Å; K140-R164 HydrophobicContact CB-CG 4.17Å; K140-R164 HydrophobicContact CG-CG 4.36Å; K140-F167 HydrophobicContact CB-CE2 4.36Å; K140-F167 HydrophobicContact CD-CB 4.12Å; K140-F167 HydrophobicContact CD-CD1 4.37Å; K140-F167 HydrophobicContact CD-CD2 3.34Å; K140-F167 HydrophobicContact CD-CE2 3.72Å; K140-F167 HydrophobicContact CD-CG 3.69Å; K140-F167 HydrophobicContact CD-CZ 4.37Å; K140-F167 VanDerWaalsContact NZ-CB 3.31Å
141V96.4Very high91.6Very high5 Ų529.5 Ų29.53%0.0317%0.168CC..EExtended strand (participates in β ladder)trans-132.9156.1179-52.80000111D136 K139 E143 I157 F158 R159D136-V141 HydrophobicContact CB-CG2 3.82Å; D136-V141 PolarHBondContact N-O 2.78Å; D136-V141 PolarHBondContact O-N 2.93Å; K139-V141 HydrophobicContact CB-CG1 4.07Å; K139-V141 HydrophobicContact CB-CG2 3.95Å; K139-V141 HydrophobicContact CD-CG2 4.46Å; V141-E143 HydrophobicContact CG2-CG 3.86Å; V141-I157 HydrophobicContact CB-CG2 4.03Å; V141-I157 HydrophobicContact CG1-CG2 4.26Å; V141-I157 HydrophobicContact CG2-CG2 3.99Å; V141-F158 WeakPolarHBondContact CA-O 3.22Å; V141-F158 VanDerWaalsContact CB-O 3.26Å; V141-F158 WeakPolarHBondContact CB-O 3.35Å; V141-R159 HydrophobicContact CG1-CB 4.35Å; V141-R159 HydrophobicContact CG1-CG 3.72Å
142V97.8Very high91.1Very high0 Ų034.8 Ų34.80%020%0.196CC..EExtended strand (participates in β ladder)trans-104.7136.2161.7179.80000107I133 V134 F158 L163 L166 L174 I176 L185I133-V142 HydrophobicContact CG2-CG1 4.24Å; V134-V142 CarbonylContact O-C 3.56Å; V134-V142 WeakPolarHBondContact O-CA 3.46Å; V142-F158 HydrophobicContact CB-CB 4.42Å; V142-F158 PolarHBondContact N-O 3.27Å; V142-F158 WeakPolarHBondContact O-CB 3.12Å; V142-F158 PolarHBondContact O-N 2.8Å; V142-L163 HydrophobicContact CG2-CD1 4.36Å; V142-L163 HydrophobicContact CG2-CD2 4.31Å; V142-L166 HydrophobicContact CG2-CD2 4.22Å; V142-L174 HydrophobicContact CG2-CD2 4.28Å; V142-I176 HydrophobicContact CG1-CD1 4.38Å; V142-L185 HydrophobicContact CB-CD2 4.18Å; V142-L185 HydrophobicContact CG1-CD1 4.49Å; V142-L185 HydrophobicContact CG2-CD2 4.42Å
143E97.1Very high90.6Very high5 Ų538.5 Ų38.52%0.02322%0.219CC..EExtended strand (participates in β ladder)trans-119.5129.7176.4-48-172.5-172.500108.6R116 V134 K139 V141 N155 I157R116-E143 IonicContact CZ-OE1 3.3Å; R116-E143 IonicContact CZ-OE2 2.67Å; R116-E143 IonicContact NH1-OE1 3.91Å; R116-E143 PolarHBondContact NH1-OE1 2.85Å; R116-E143 IonicContact NH1-OE2 2.91Å; R116-E143 PolarHBondContact NH1-OE2 2.81Å; R116-E143 IonicContact NH2-OE1 2.79Å; R116-E143 IonicContact NH2-OE2 3.35Å; R116-E143 PolarHBondContact NH2-OE2 2.84Å; V134-E143 HydrophobicContact CB-CB 4.11Å; V134-E143 HydrophobicContact CG2-CB 4.33Å; V134-E143 PolarHBondContact N-O 2.87Å; V134-E143 PolarHBondContact O-N 3.5Å; K139-E143 IonicContact NZ-OE1 3.91Å; K139-E143 PolarHBondContact NZ-OE1 3.41Å; V141-E143 HydrophobicContact CG2-CG 3.86Å; E143-N155 PolarHBondContact OE2-ND2 2.87Å; E143-I157 HydrophobicContact CB-CG1 4.34Å; E143-I157 HydrophobicContact CG-CB 4.42Å; E143-I157 HydrophobicContact CG-CD1 4.44Å; E143-I157 HydrophobicContact CG-CG1 3.92Å; E143-I157 HydrophobicContact CG-CG2 4.14Å
144F96.6Very high90.3Very high1 Ų140.5 Ų40.50%0.00423%0.229CC..EExtended strand (participates in β ladder)trans-115.7127.7175.1-176.6-89.7000109.1I131 S132 I133 F146 N155 Y156 F158 I176 I178 L183I131-F144 HydrophobicContact CG2-CZ 4.45Å; S132-F144 WeakPolarHBondContact O-CA 3.29Å; I133-F144 HydrophobicContact CG1-CD2 3.94Å; I133-F144 HydrophobicContact CG1-CE2 4.18Å; F144-F146 HydrophobicContact CD1-CD1 4.03Å; F144-F146 AromaticContact CE1-CD1 3.65Å; F144-F146 HydrophobicContact CE1-CD1 3.65Å; F144-F146 HydrophobicContact CE1-CE1 4.34Å; F144-N155 PolarHBondContact O-OD1 3.3Å; F144-Y156 PolarHBondContact N-O 3.03Å; F144-Y156 PolarHBondContact O-N 3.48Å; F144-F158 HydrophobicContact CB-CE2 4.29Å; F144-I176 HydrophobicContact CD2-CD1 4.22Å; F144-I176 HydrophobicContact CD2-CG2 4.32Å; F144-I178 HydrophobicContact CE1-CG1 4.45Å; F144-I178 HydrophobicContact CE2-CD1 4.27Å; F144-I178 HydrophobicContact CE2-CG1 3.89Å; F144-I178 HydrophobicContact CZ-CD1 4.44Å; F144-I178 HydrophobicContact CZ-CG1 3.6Å; F144-I178 HydrophobicContact CZ-CG2 4.45Å; F144-L183 HydrophobicContact CB-CD2 3.64Å; F144-L183 HydrophobicContact CD1-CD1 3.84Å; F144-L183 HydrophobicContact CD1-CD2 3.44Å; F144-L183 VanDerWaalsContact CD1-CD2 3.44Å; F144-L183 HydrophobicContact CD1-CG 4.32Å; F144-L183 HydrophobicContact CD2-CD1 4.23Å; F144-L183 HydrophobicContact CD2-CD2 4.49Å; F144-L183 HydrophobicContact CE1-CD1 3.81Å; F144-L183 HydrophobicContact CE1-CD2 4.2Å; F144-L183 HydrophobicContact CE2-CD1 4.24Å; F144-L183 HydrophobicContact CG-CD1 4.05Å; F144-L183 HydrophobicContact CG-CD2 3.61Å; F144-L183 HydrophobicContact CG-CG 4.48Å; F144-L183 HydrophobicContact CZ-CD1 4.04Å
145M94.1Very high90.1Very high26 Ų2643.9 Ų43.913%0.12825%0.247CC..EExtended strand (participates in β ladder)trans-131.1141.6-177.1163-94.8-81.400111.4P129 I131 S132 V153 L154 N155P129-M145 HydrophobicContact CB-CE 3.75Å; P129-M145 HydrophobicContact CB-SD 4.08Å; P129-M145 HydrophobicContact CG-CE 3.69Å; P129-M145 HydrophobicContact CG-SD 4.26Å; I131-M145 CarbonylContact C-O 3.5Å; I131-M145 WeakPolarHBondContact CA-O 3.13Å; S132-M145 PolarHBondContact N-O 3.09Å; S132-M145 PolarHBondContact O-N 3.05Å; M145-V153 HydrophobicContact CG-CG1 3.44Å; M145-V153 VanDerWaalsContact CG-CG1 3.44Å; M145-V153 HydrophobicContact SD-CG1 3.93Å; M145-L154 WeakPolarHBondContact CA-O 3.49Å; M145-L154 WeakPolarHBondContact CB-O 3.46Å; M145-L154 WeakPolarHBondContact CG-O 3.41Å; M145-N155 HydrophobicContact CB-CB 4.29Å
146F92.8Very high89.9Confident5 Ų545.3 Ų45.32%0.02225%0.252CS..EExtended strand (participates in β ladder)trans-144.9164.6172.865.3-92.5000111.1Q130 F144 L154 Y156 T197 K200Q130-F146 WeakPolarHBondContact O-CA 3.27Å; F144-F146 HydrophobicContact CD1-CD1 4.03Å; F144-F146 AromaticContact CE1-CD1 3.65Å; F144-F146 HydrophobicContact CE1-CD1 3.65Å; F144-F146 HydrophobicContact CE1-CE1 4.34Å; F146-L154 HydrophobicContact CE2-CD1 3.92Å; F146-L154 HydrophobicContact CZ-CB 4.49Å; F146-L154 HydrophobicContact CZ-CD1 3.98Å; F146-L154 PolarHBondContact N-O 3.49Å; F146-L154 VanDerWaalsContact N-O 3.15Å; F146-L154 PolarHBondContact O-N 2.92Å; F146-Y156 HydrophobicContact CD1-CD2 4.37Å; F146-Y156 HydrophobicContact CD1-CE2 4.03Å; F146-Y156 AromaticContact CE1-CD2 3.91Å; F146-Y156 HydrophobicContact CE1-CD2 3.91Å; F146-Y156 AromaticContact CE1-CE2 3.26Å; F146-Y156 HydrophobicContact CE1-CE2 3.26Å; F146-Y156 AromaticContact CZ-CE2 3.8Å; F146-Y156 HydrophobicContact CZ-CE2 3.8Å; F146-T197 HydrophobicContact CE1-CG2 4.24Å; F146-K200 HydrophobicContact CD2-CB 3.89Å; F146-K200 HydrophobicContact CD2-CG 3.75Å; F146-K200 HydrophobicContact CE2-CB 3.8Å; F146-K200 HydrophobicContact CE2-CG 4.2Å; F146-K200 HydrophobicContact CG-CG 4.29Å; F146-K200 HydrophobicContact CZ-CB 4.5Å
147Q87.8Confident89.9Confident38 Ų3847.2 Ų47.218%0.17826%0.262CS..EExtended strand (participates in β ladder)trans-89.6129.4172-168.7161.31800110.7Q130 G151 D201Q130-Q147 PolarHBondContact O-N 3.47Å; Q147-G151 PolarHBondContact NE2-O 2.98Å; Q147-D201 VanDerWaalsContact O-CB 3.3Å; Q147-D201 WeakPolarHBondContact O-CB 3.26Å; Q147-D201 PolarHBondContact O-N 2.87Å
148A81.4Confident90Very high10 Ų1047.2 Ų47.28%0.08326%0.262CS..BIsolated β-bridgetrans-87.7161.3176.300000111.4E150 G151 D152 L154A148-E150 PolarHBondContact O-N 2.92Å; A148-E150 VanDerWaalsContact O-N 3.12Å; A148-G151 WeakPolarHBondContact O-CA 3.3Å; A148-G151 PolarHBondContact O-N 3.19Å; A148-D152 PolarHBondContact N-O 3.19Å; A148-L154 HydrophobicContact CB-CD1 3.67Å; A148-L154 HydrophobicContact CB-CG 3.94Å
149T75.4Confident90.1Very high85 Ų8552.9 Ų52.952%0.52127%0.267SS..THydrogen-bonded Turntrans-59.8-21.8-175.448.90000115G151 D201T149-G151 PolarHBondContact O-N 2.84Å; T149-D201 HydrophobicContact CG2-CB 4.3Å
150E72.8Confident90Very high178 Ų17849.4 Ų49.483%0.83225%0.253SS*.THydrogen-bonded Turntrans-81.31.2172.3-58.1-166.5177.200113.2A148 D152A148-E150 PolarHBondContact O-N 2.92Å; A148-E150 VanDerWaalsContact O-N 3.12Å; E150-D152 VanDerWaalsContact C-N 3.32Å
151G72.6Confident90Very high33 Ų3356.6 Ų56.634%0.3428%0.279SS..SBendtrans86-6.3-176.600000114.7Q147 A148 T149Q147-G151 PolarHBondContact NE2-O 2.98Å; A148-G151 WeakPolarHBondContact O-CA 3.3Å; A148-G151 PolarHBondContact O-N 3.19Å; T149-G151 PolarHBondContact O-N 2.84Å
152D82.6Confident89.8Confident111 Ų11161 Ų6159%0.59430%0.3SS*.  trans-74152.6179.9-98.3-18.9000113A148 E150A148-D152 PolarHBondContact N-O 3.19Å; E150-D152 VanDerWaalsContact C-N 3.32Å
153V87.7Confident89.7Confident79 Ų7961 Ų6148%0.47930%0.3SS..EExtended strand (participates in β ladder)trans-100.8105.9-177.1-179.20000110.3M145M145-V153 HydrophobicContact CG-CG1 3.44Å; M145-V153 VanDerWaalsContact CG-CG1 3.44Å; M145-V153 HydrophobicContact SD-CG1 3.93Å
154L90.3Very high89.5Confident42 Ų4268.2 Ų68.222%0.2233%0.327CS..EExtended strand (participates in β ladder)trans-87.3137.3179.4-58-179.9000110.5M145 F146 A148 Y156 D198M145-L154 WeakPolarHBondContact CA-O 3.49Å; M145-L154 WeakPolarHBondContact CB-O 3.46Å; M145-L154 WeakPolarHBondContact CG-O 3.41Å; F146-L154 HydrophobicContact CE2-CD1 3.92Å; F146-L154 HydrophobicContact CZ-CB 4.49Å; F146-L154 HydrophobicContact CZ-CD1 3.98Å; F146-L154 PolarHBondContact N-O 3.49Å; F146-L154 VanDerWaalsContact N-O 3.15Å; F146-L154 PolarHBondContact O-N 2.92Å; A148-L154 HydrophobicContact CB-CD1 3.67Å; A148-L154 HydrophobicContact CB-CG 3.94Å; L154-Y156 HydrophobicContact CB-CE2 3.67Å; L154-Y156 WeakPolarHBondContact CD1-OH 3.39Å; L154-D198 HydrophobicContact CD1-CB 3.74Å
155N93.4Very high89.4Confident76 Ų7670 Ų7041%0.40634%0.341SS..EExtended strand (participates in β ladder)trans-134.4114-178.8-177.16.3000111.8E143 F144 M145E143-N155 PolarHBondContact OE2-ND2 2.87Å; F144-N155 PolarHBondContact O-OD1 3.3Å; M145-N155 HydrophobicContact CB-CB 4.29Å
156Y95.3Very high89.4Confident29 Ų2968.8 Ų68.811%0.11434%0.335CS..EExtended strand (participates in β ladder)trans-101.4105.1-176.9-60.9-90.4000110F144 F146 L154 L183 R195 Q196 T197 D198F144-Y156 PolarHBondContact N-O 3.03Å; F144-Y156 PolarHBondContact O-N 3.48Å; F146-Y156 HydrophobicContact CD1-CD2 4.37Å; F146-Y156 HydrophobicContact CD1-CE2 4.03Å; F146-Y156 AromaticContact CE1-CD2 3.91Å; F146-Y156 HydrophobicContact CE1-CD2 3.91Å; F146-Y156 AromaticContact CE1-CE2 3.26Å; F146-Y156 HydrophobicContact CE1-CE2 3.26Å; F146-Y156 AromaticContact CZ-CE2 3.8Å; F146-Y156 HydrophobicContact CZ-CE2 3.8Å; L154-Y156 HydrophobicContact CB-CE2 3.67Å; L154-Y156 WeakPolarHBondContact CD1-OH 3.39Å; Y156-L183 HydrophobicContact CG-CD2 4.33Å; Y156-R195 HydrophobicContact CD1-CB 4.36Å; Y156-Q196 WeakPolarHBondContact CE1-O 3.46Å; Y156-T197 HydrophobicContact CD1-CG2 4.13Å; Y156-T197 HydrophobicContact CD2-CG2 4.32Å; Y156-T197 HydrophobicContact CE1-CG2 3.79Å; Y156-T197 HydrophobicContact CE2-CG2 4Å; Y156-T197 HydrophobicContact CG-CG2 4.39Å; Y156-T197 WeakPolarHBondContact OH-CA 3.44Å; Y156-D198 PolarHBondContact OH-N 3.2Å; Y156-D198 PolarHBondContact OH-OD2 2.97Å
157I96.3Very high89.5Confident50 Ų5068.6 Ų68.626%0.25634%0.335SS..EExtended strand (participates in β ladder)trans-94.3115.3-176.8-55.7-178000110.7V141 E143 R159V141-I157 HydrophobicContact CB-CG2 4.03Å; V141-I157 HydrophobicContact CG1-CG2 4.26Å; V141-I157 HydrophobicContact CG2-CG2 3.99Å; E143-I157 HydrophobicContact CB-CG1 4.34Å; E143-I157 HydrophobicContact CG-CB 4.42Å; E143-I157 HydrophobicContact CG-CD1 4.44Å; E143-I157 HydrophobicContact CG-CG1 3.92Å; E143-I157 HydrophobicContact CG-CG2 4.14Å; I157-R159 HydrophobicContact CG2-CG 3.86Å
158F96.5Very high89.8Confident1 Ų170.3 Ų70.30%0.00435%0.345CS..EExtended strand (participates in β ladder)trans-87.7111.7176.3-67-83000111.4V141 V142 F144 L163 L183 L185 A193 R195V141-F158 WeakPolarHBondContact CA-O 3.22Å; V141-F158 VanDerWaalsContact CB-O 3.26Å; V141-F158 WeakPolarHBondContact CB-O 3.35Å; V142-F158 HydrophobicContact CB-CB 4.42Å; V142-F158 PolarHBondContact N-O 3.27Å; V142-F158 WeakPolarHBondContact O-CB 3.12Å; V142-F158 PolarHBondContact O-N 2.8Å; F144-F158 HydrophobicContact CB-CE2 4.29Å; F158-L163 HydrophobicContact CB-CD1 4.07Å; F158-L163 WeakPolarHBondContact O-CD1 3.45Å; F158-L183 HydrophobicContact CE2-CD2 3.57Å; F158-L183 HydrophobicContact CE2-CG 4.2Å; F158-L183 HydrophobicContact CZ-CB 4.43Å; F158-L183 HydrophobicContact CZ-CD2 3.58Å; F158-L183 HydrophobicContact CZ-CG 3.82Å; F158-L185 HydrophobicContact CB-CD2 3.47Å; F158-L185 VanDerWaalsContact CB-CD2 3.47Å; F158-L185 HydrophobicContact CD1-CB 3.86Å; F158-L185 HydrophobicContact CD1-CD2 3.82Å; F158-L185 HydrophobicContact CD2-CB 4.5Å; F158-L185 HydrophobicContact CD2-CD2 3.96Å; F158-L185 HydrophobicContact CE1-CB 3.73Å; F158-L185 HydrophobicContact CE1-CD2 4.49Å; F158-L185 HydrophobicContact CE2-CB 4.4Å; F158-L185 HydrophobicContact CG-CB 4.22Å; F158-L185 HydrophobicContact CG-CD2 3.48Å; F158-L185 VanDerWaalsContact CG-CD2 3.48Å; F158-L185 HydrophobicContact CG-CG 4.46Å; F158-L185 HydrophobicContact CZ-CB 4.02Å; F158-A193 HydrophobicContact CD1-CB 3.64Å; F158-A193 HydrophobicContact CE1-CB 3.97Å; F158-R195 HydrophobicContact CD1-CG 4.25Å; F158-R195 HydrophobicContact CE1-CB 4.43Å; F158-R195 HydrophobicContact CE1-CG 3.58Å; F158-R195 HydrophobicContact CZ-CB 4.47Å; F158-R195 HydrophobicContact CZ-CG 3.92Å
159R94.4Very high90.3Very high173 Ų17376 Ų7665%0.65336%0.364SS*.  trans-118107.5176.1-46.1-163.6179.81652.5109V141 I157V141-R159 HydrophobicContact CG1-CB 4.35Å; V141-R159 HydrophobicContact CG1-CG 3.72Å; I157-R159 HydrophobicContact CG2-CG 3.86Å
160N94.7Very high91Very high43 Ų4377.3 Ų77.323%0.2336%0.364CS..  trans-138.6149.7172.5-178.3-22.9000108E162 L163 I192N160-E162 VanDerWaalsContact C-N 3.25Å; N160-E162 PolarHBondContact ND2-OE2 3.33Å; N160-E162 PolarHBondContact O-N 2.98Å; N160-E162 PolarHBondContact OD1-N 2.75Å; N160-E162 PolarHBondContact OD1-OE2 2.97Å; N160-L163 HydrophobicContact CB-CG 4.47Å; N160-L163 PolarHBondContact O-N 2.83Å; N160-I192 HydrophobicContact CB-CG2 3.61Å; N160-I192 WeakPolarHBondContact ND2-CG2 3.26Å; N160-I192 PolarHBondContact ND2-O 3.11Å
161R93.6Very high91.9Very high199 Ų19971.1 Ų71.175%0.75133%0.334SS*.SBendtrans-56-37.3170.7173.1173.6-176.8169.7-0.1112.6R164R161-R164 VanDerWaalsContact O-CB 3.3Å; R161-R164 WeakPolarHBondContact O-CB 3.42Å; R161-R164 VanDerWaalsContact O-CG 3.31Å; R161-R164 WeakPolarHBondContact O-CG 3.44Å; R161-R164 PolarHBondContact O-N 3.13Å
162E93Very high92.9Very high98 Ų9870.2 Ų70.246%0.45832%0.32SS..G310 helixtrans-64.6-36.6-177.1-74.2140.7-160.600112.7N160 R164 A165 I192N160-E162 VanDerWaalsContact C-N 3.25Å; N160-E162 PolarHBondContact ND2-OE2 3.33Å; N160-E162 PolarHBondContact O-N 2.98Å; N160-E162 PolarHBondContact OD1-N 2.75Å; N160-E162 PolarHBondContact OD1-OE2 2.97Å; E162-R164 PolarHBondContact O-N 3.49Å; E162-A165 VanDerWaalsContact O-CB 3.29Å; E162-A165 WeakPolarHBondContact O-CB 3.41Å; E162-A165 PolarHBondContact O-N 2.86Å; E162-I192 HydrophobicContact CB-CD1 3.86Å
163L94.5Very high93.4Very high0 Ų065 Ų650%029%0.292CS..G310 helixtrans-60.4-4.4175-66.6176.8000114.3V142 F158 N160 A165 F167 L174 L185 M187 I192V142-L163 HydrophobicContact CG2-CD1 4.36Å; V142-L163 HydrophobicContact CG2-CD2 4.31Å; F158-L163 HydrophobicContact CB-CD1 4.07Å; F158-L163 WeakPolarHBondContact O-CD1 3.45Å; N160-L163 HydrophobicContact CB-CG 4.47Å; N160-L163 PolarHBondContact O-N 2.83Å; L163-A165 VanDerWaalsContact C-N 3.32Å; L163-F167 WeakPolarHBondContact O-CD2 3.43Å; L163-F167 VanDerWaalsContact O-CE2 3.26Å; L163-F167 WeakPolarHBondContact O-CE2 3.43Å; L163-L174 HydrophobicContact CD2-CD1 4.48Å; L163-L185 HydrophobicContact CD1-CD2 3.95Å; L163-L185 HydrophobicContact CD2-CD2 4.04Å; L163-M187 HydrophobicContact CD2-SD 4.1Å; L163-I192 HydrophobicContact CD1-CG2 4.15Å; L163-I192 HydrophobicContact CD2-CG1 4.43Å; L163-I192 HydrophobicContact CD2-CG2 3.88Å; L163-I192 HydrophobicContact CG-CG2 3.71Å
164R94.2Very high93.8Very high156 Ų15661.3 Ų61.359%0.58927%0.27SS*.G310 helixtrans-72.7-26168.6-63.7176.5176.1132.1-0.1112.4K140 R161 E162 F167K140-R164 HydrophobicContact CB-CG 4.17Å; K140-R164 HydrophobicContact CG-CG 4.36Å; R161-R164 VanDerWaalsContact O-CB 3.3Å; R161-R164 WeakPolarHBondContact O-CB 3.42Å; R161-R164 VanDerWaalsContact O-CG 3.31Å; R161-R164 WeakPolarHBondContact O-CG 3.44Å; R161-R164 PolarHBondContact O-N 3.13Å; E162-R164 PolarHBondContact O-N 3.49Å; R164-F167 PolarHBondContact O-N 3.31Å
165A93.6Very high94.1Very high37 Ų3759.3 Ų59.331%0.30626%0.26SS..G310 helixtrans-60.6-46.1176.500000111.2E162 L163 F167 D168 H172 M187E162-A165 VanDerWaalsContact O-CB 3.29Å; E162-A165 WeakPolarHBondContact O-CB 3.41Å; E162-A165 PolarHBondContact O-N 2.86Å; L163-A165 VanDerWaalsContact C-N 3.32Å; A165-F167 PolarHBondContact O-N 2.9Å; A165-D168 WeakPolarHBondContact O-CB 3.4Å; A165-D168 PolarHBondContact O-N 3.16Å; A165-H172 PolarHBondContact O-NE2 2.8Å; A165-H172 VanDerWaalsContact O-NE2 3.08Å; A165-M187 HydrophobicContact CB-CE 3.98Å
166L93.9Very high94.2Very high1 Ų155.9 Ų55.91%0.00524%0.241CC..G310 helixtrans-45.4-16.7174.5-167.262.2000115.9F106 V108 V135 V142 H172 L174 M187F106-L166 HydrophobicContact CE2-CD1 3.72Å; F106-L166 HydrophobicContact CE2-CG 4.16Å; F106-L166 HydrophobicContact CZ-CD1 3.68Å; F106-L166 HydrophobicContact CZ-CD2 4.3Å; F106-L166 HydrophobicContact CZ-CG 4.24Å; V108-L166 VanDerWaalsContact CG2-O 3.25Å; V108-L166 WeakPolarHBondContact CG2-O 3.46Å; V135-L166 HydrophobicContact CG1-CD2 4.44Å; V142-L166 HydrophobicContact CG2-CD2 4.22Å; L166-H172 HydrophobicContact CD1-CB 3.71Å; L166-L174 HydrophobicContact CD2-CD1 4.21Å; L166-L174 HydrophobicContact CD2-CD2 4.45Å; L166-M187 HydrophobicContact CB-SD 4Å; L166-M187 HydrophobicContact CD1-SD 4.45Å
167F95.3Very high94.2Very high2 Ų254.6 Ų54.61%0.00924%0.237CC..G310 helixtrans-117.311.1-179.4-55.9-85.3000113.9V108 K113 V135 K140 L163 R164 A165 R169V108-F167 HydrophobicContact CG1-CD1 4.33Å; K113-F167 WeakPolarHBondContact CD-O 3.19Å; K113-F167 WeakPolarHBondContact CE-O 3.39Å; K113-F167 HydrophobicContact CG-CB 4.35Å; K113-F167 PolarHBondContact NZ-O 3.13Å; V135-F167 HydrophobicContact CG1-CE1 3.64Å; V135-F167 HydrophobicContact CG1-CZ 3.52Å; K140-F167 HydrophobicContact CB-CE2 4.36Å; K140-F167 HydrophobicContact CD-CB 4.12Å; K140-F167 HydrophobicContact CD-CD1 4.37Å; K140-F167 HydrophobicContact CD-CD2 3.34Å; K140-F167 HydrophobicContact CD-CE2 3.72Å; K140-F167 HydrophobicContact CD-CG 3.69Å; K140-F167 HydrophobicContact CD-CZ 4.37Å; K140-F167 VanDerWaalsContact NZ-CB 3.31Å; L163-F167 WeakPolarHBondContact O-CD2 3.43Å; L163-F167 VanDerWaalsContact O-CE2 3.26Å; L163-F167 WeakPolarHBondContact O-CE2 3.43Å; R164-F167 PolarHBondContact O-N 3.31Å; A165-F167 PolarHBondContact O-N 2.9Å; F167-R169 VanDerWaalsContact C-N 3.31Å
168D93.4Very high94.1Very high74 Ų7452.7 Ų52.740%0.39623%0.227SC..SBendtrans-75.2-22.3-179.875.1-1.4000113.1A165 Q170 H172A165-D168 WeakPolarHBondContact O-CB 3.4Å; A165-D168 PolarHBondContact O-N 3.16Å; D168-Q170 WeakPolarHBondContact OD1-CB 3.28Å; D168-Q170 WeakPolarHBondContact OD1-CG 3.5Å; D168-Q170 PolarHBondContact OD1-N 3.17Å; D168-H172 IonicContact OD1-NE2 3.38Å; D168-H172 PolarHBondContact OD1-NE2 3.28Å
169R91.8Very high93.9Very high129 Ų12954.7 Ų54.749%0.48724%0.236SC..SBendtrans97.219-176.4-54.3164.656.6-136.6-7.2115.5R107 V108 F167R107-R169 WeakPolarHBondContact CD-O 3.25Å; R107-R169 WeakPolarHBondContact CG-O 3.42Å; V108-R169 WeakPolarHBondContact O-CA 3.41Å; V108-R169 WeakPolarHBondContact O-CG 3.49Å; F167-R169 VanDerWaalsContact C-N 3.31Å
170Q91.8Very high93.6Very high112 Ų11248.4 Ų48.452%0.52322%0.219SC..SBendtrans-89177.4165.8-57.3-52.8-27.300111.9R107 D168 H172R107-Q170 WeakPolarHBondContact CA-O 3.34Å; R107-Q170 WeakPolarHBondContact CG-O 3.45Å; D168-Q170 WeakPolarHBondContact OD1-CB 3.28Å; D168-Q170 WeakPolarHBondContact OD1-CG 3.5Å; D168-Q170 PolarHBondContact OD1-N 3.17Å; Q170-H172 PolarHBondContact O-CD2 3.2Å
171W91.4Very high93.3Very high49 Ų4953 Ų5319%0.18623%0.233CC..EExtended strand (participates in β ladder)trans-80.5129.8169-72.8104.8000110.1C70 C76 M105 R107 E224 H226C70-W171 HydrophobicContact CB-CZ2 4.27Å; C76-W171 HydrophobicContact CB-CH2 4.17Å; M105-W171 HydrophobicContact CE-CB 4.31Å; M105-W171 HydrophobicContact CE-CD2 4.1Å; M105-W171 HydrophobicContact CE-CE3 3.91Å; M105-W171 HydrophobicContact CE-CG 4.3Å; M105-W171 HydrophobicContact CG-CE3 4.2Å; R107-W171 HydrophobicContact CB-CD2 3.73Å; R107-W171 HydrophobicContact CB-CE3 3.82Å; R107-W171 HydrophobicContact CB-CG 4.22Å; R107-W171 HydrophobicContact CB-CH2 4.32Å; R107-W171 HydrophobicContact CB-CZ2 4.24Å; R107-W171 HydrophobicContact CB-CZ3 4.11Å; W171-E224 HydrophobicContact CH2-CB 3.75Å; W171-E224 HydrophobicContact CZ2-CB 4.21Å; W171-E224 HydrophobicContact CZ3-CB 4.45Å; W171-E224 WeakPolarHBondContact CZ3-O 3.16Å; W171-H226 HydrophobicContact CE3-CB 4.16Å; W171-H226 HydrophobicContact CH2-CB 3.95Å; W171-H226 HydrophobicContact CZ3-CB 3.49Å; W171-H226 VanDerWaalsContact CZ3-CB 3.49Å
172H93.3Very high93.3Very high13 Ų1345.3 Ų45.36%0.0621%0.208CC..EExtended strand (participates in β ladder)trans-129.9145.9174.1-61.7-81000110.5M105 F106 A165 L166 D168 Q170 D188M105-H172 VanDerWaalsContact CA-O 3.29Å; M105-H172 WeakPolarHBondContact CA-O 3.23Å; F106-H172 PolarHBondContact N-O 3.31Å; F106-H172 PolarHBondContact O-N 3.37Å; F106-H172 VanDerWaalsContact O-N 3.07Å; A165-H172 PolarHBondContact O-NE2 2.8Å; A165-H172 VanDerWaalsContact O-NE2 3.08Å; L166-H172 HydrophobicContact CD1-CB 3.71Å; D168-H172 IonicContact OD1-NE2 3.38Å; D168-H172 PolarHBondContact OD1-NE2 3.28Å; Q170-H172 PolarHBondContact O-CD2 3.2Å; H172-D188 VanDerWaalsContact CA-OD1 3.29Å; H172-D188 WeakPolarHBondContact CA-OD1 3.35Å; H172-D188 IonicContact CE1-OD2 2.72Å; H172-D188 IonicContact CG-OD2 3.18Å; H172-D188 IonicContact ND1-OD1 2.77Å; H172-D188 IonicContact ND1-OD2 3.76Å; H172-D188 PolarHBondContact ND1-OD2 3.43Å
173K93.7Very high93.4Very high2 Ų240.7 Ų40.71%0.00919%0.186CC..EExtended strand (participates in β ladder)trans-107.294.4176.3-162165.4-173.8-179.60108.8T103 M105 M187 D188 E240 C243 E244T103-K173 HydrophobicContact CG2-CG 3.98Å; M105-K173 HydrophobicContact CB-CG 4.28Å; M105-K173 HydrophobicContact CG-CB 4.49Å; K173-M187 WeakPolarHBondContact O-CA 3.34Å; K173-D188 PolarHBondContact N-OD1 2.82Å; K173-D188 PolarHBondContact O-N 3.22Å; K173-D188 VanDerWaalsContact O-N 3.09Å; K173-E240 WeakPolarHBondContact CD-O 3.28Å; K173-E240 WeakPolarHBondContact CE-O 3.38Å; K173-E240 WeakPolarHBondContact CE-OE1 3.3Å; K173-E240 PolarHBondContact NZ-O 3.02Å; K173-E240 IonicContact NZ-OE1 3.34Å; K173-E240 PolarHBondContact NZ-OE1 2.85Å; K173-C243 PolarHBondContact NZ-O 2.72Å; K173-E244 IonicContact NZ-OE2 2.9Å
174L95.8Very high93.4Very high2 Ų240.7 Ų40.71%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-84.5130.5178-167.375.3000109.5T103 A104 F106 L119 V142 L163 L166 L185 M187T103-L174 WeakPolarHBondContact CA-O 3.37Å; A104-L174 PolarHBondContact N-O 3.07Å; A104-L174 PolarHBondContact O-N 3.26Å; F106-L174 HydrophobicContact CE1-CB 4.1Å; F106-L174 HydrophobicContact CE1-CD2 4.21Å; F106-L174 HydrophobicContact CZ-CD2 4.23Å; L119-L174 HydrophobicContact CD2-CD2 4.18Å; V142-L174 HydrophobicContact CG2-CD2 4.28Å; L163-L174 HydrophobicContact CD2-CD1 4.48Å; L166-L174 HydrophobicContact CD2-CD1 4.21Å; L166-L174 HydrophobicContact CD2-CD2 4.45Å; L174-L185 HydrophobicContact CD1-CD1 3.98Å; L174-L185 HydrophobicContact CG-CD1 4.31Å; L174-M187 HydrophobicContact CD1-CB 4.12Å; L174-M187 HydrophobicContact CD1-CG 4.19Å
175G95.9Very high93.6Very high0 Ų033.3 Ų33.30%016%0.158CC..EExtended strand (participates in β ladder)trans-128.3139.5176.500000112.2V102 Y186V102-G175 CarbonylContact O-C 3.54Å; V102-G175 WeakPolarHBondContact O-CA 3.43Å; G175-Y186 PolarHBondContact N-O 2.87Å; G175-Y186 PolarHBondContact O-N 2.81Å
176I96.3Very high93.6Very high3 Ų333 Ų332%0.01515%0.15CC..EExtended strand (participates in β ladder)trans-123.8125.2171.9-47.1-166.6000108S101 V102 I133 V142 F144 I178 L183 S184 L185S101-I176 CarbonylContact C-O 3.58Å; S101-I176 WeakPolarHBondContact CA-O 3.48Å; S101-I176 WeakPolarHBondContact CB-O 3.45Å; V102-I176 PolarHBondContact N-O 3.23Å; V102-I176 PolarHBondContact O-N 2.72Å; I133-I176 HydrophobicContact CD1-CD1 4.04Å; I133-I176 HydrophobicContact CG1-CD1 4.33Å; I133-I176 HydrophobicContact CG2-CD1 3.74Å; V142-I176 HydrophobicContact CG1-CD1 4.38Å; F144-I176 HydrophobicContact CD2-CD1 4.22Å; F144-I176 HydrophobicContact CD2-CG2 4.32Å; I176-I178 HydrophobicContact CB-CD1 4.22Å; I176-I178 HydrophobicContact CG2-CD1 3.9Å; I176-I178 HydrophobicContact CG2-CG1 4.4Å; I176-I178 WeakPolarHBondContact O-CD1 3.36Å; I176-L183 HydrophobicContact CG2-CD1 3.58Å; I176-L183 HydrophobicContact CG2-CG 4.21Å; I176-S184 WeakPolarHBondContact CA-O 3.4Å; I176-L185 HydrophobicContact CD1-CD1 4.12Å; I176-L185 HydrophobicContact CG1-CD1 3.76Å
177S95.6Very high93.6Very high3 Ų333.4 Ų33.42%0.02115%0.152CC..EExtended strand (participates in β ladder)trans-101126.41681620000109.3L183 S184 A234S177-L183 WeakPolarHBondContact O-CA 3.47Å; S177-S184 PolarHBondContact N-O 2.91Å; S177-S184 PolarHBondContact O-N 2.85Å; S177-A234 WeakPolarHBondContact CB-O 3.49Å; S177-A234 PolarHBondContact OG-O 3.38Å
178I94.3Very high93.5Very high10 Ų1034.7 Ų34.75%0.05116%0.158CC..EExtended strand (participates in β ladder)trans-112.1105-180-54.375.2000106.2E99 Y100 V102 F144 I176 L183 A234E99-I178 CarbonylContact C-O 3.45Å; E99-I178 VanDerWaalsContact CA-O 3.26Å; E99-I178 WeakPolarHBondContact CA-O 3.44Å; Y100-I178 HydrophobicContact CD1-CB 4.11Å; Y100-I178 HydrophobicContact CD1-CG2 4.31Å; Y100-I178 HydrophobicContact CD2-CB 4.49Å; Y100-I178 HydrophobicContact CD2-CD1 3.81Å; Y100-I178 HydrophobicContact CD2-CG1 4.27Å; Y100-I178 HydrophobicContact CE1-CB 3.86Å; Y100-I178 HydrophobicContact CE1-CG1 4.18Å; Y100-I178 HydrophobicContact CE1-CG2 3.7Å; Y100-I178 HydrophobicContact CE2-CB 4.31Å; Y100-I178 HydrophobicContact CE2-CD1 3.65Å; Y100-I178 HydrophobicContact CE2-CG1 3.82Å; Y100-I178 HydrophobicContact CG-CB 4.4Å; Y100-I178 HydrophobicContact CG-CD1 4.46Å; Y100-I178 PolarHBondContact N-O 2.7Å; Y100-I178 WeakPolarHBondContact O-CA 3.19Å; Y100-I178 WeakPolarHBondContact O-CB 3.11Å; Y100-I178 PolarHBondContact O-N 2.73Å; Y100-I178 VanDerWaalsContact O-O 3.1Å; V102-I178 HydrophobicContact CG2-CD1 4.17Å; F144-I178 HydrophobicContact CE1-CG1 4.45Å; F144-I178 HydrophobicContact CE2-CD1 4.27Å; F144-I178 HydrophobicContact CE2-CG1 3.89Å; F144-I178 HydrophobicContact CZ-CD1 4.44Å; F144-I178 HydrophobicContact CZ-CG1 3.6Å; F144-I178 HydrophobicContact CZ-CG2 4.45Å; I176-I178 HydrophobicContact CB-CD1 4.22Å; I176-I178 HydrophobicContact CG2-CD1 3.9Å; I176-I178 HydrophobicContact CG2-CG1 4.4Å; I176-I178 WeakPolarHBondContact O-CD1 3.36Å; I178-L183 HydrophobicContact CB-CD1 4.34Å; I178-L183 HydrophobicContact CG1-CD1 3.75Å; I178-A234 WeakPolarHBondContact O-CB 3.25Å
179Q92.1Very high93.2Very high42 Ų4234 Ų3420%0.19616%0.159CC..EExtended strand (participates in β ladder)trans-107.3159.2171.2-68.8175-30.600108.7E99 R181 V182 A234 N235E99-Q179 WeakPolarHBondContact OE1-CA 3.35Å; E99-Q179 WeakPolarHBondContact OE1-CB 3.24Å; E99-Q179 WeakPolarHBondContact OE1-CG 2.95Å; Q179-R181 PolarHBondContact O-N 3.34Å; Q179-V182 WeakPolarHBondContact CA-O 3.46Å; Q179-V182 HydrophobicContact CB-CB 4.12Å; Q179-V182 WeakPolarHBondContact CB-O 3.38Å; Q179-V182 PolarHBondContact N-O 2.83Å; Q179-V182 PolarHBondContact O-N 2.82Å; Q179-V182 VanDerWaalsContact O-N 3.07Å; Q179-A234 HydrophobicContact CG-CB 3.6Å; Q179-N235 PolarHBondContact NE2-OD1 2.98Å; Q179-N235 VanDerWaalsContact NE2-OD1 3.13Å
180S87.3Confident93.1Very high41 Ų4132.6 Ų32.629%0.28716%0.161SC..THydrogen-bonded Turntrans-51.6-31.2-167.6-53.20000115.5E98 E99E98-S180 WeakPolarHBondContact OE1-CB 2.95Å; E98-S180 PolarHBondContact OE1-OG 3.15Å; E99-S180 PolarHBondContact OE1-N 2.75Å
181R89.2Confident93.2Very high141 Ų14131.5 Ų31.553%0.53216%0.158SC..THydrogen-bonded Turntrans-133.716175.7-62.9-174.1-179.2-177.7-0.2113.8Q179 Q196 T197 E199Q179-R181 PolarHBondContact O-N 3.34Å; R181-Q196 WeakPolarHBondContact O-CA 3.22Å; R181-T197 WeakPolarHBondContact CA-O 3.39Å; R181-T197 WeakPolarHBondContact CA-OG1 3.44Å; R181-T197 PolarHBondContact O-N 2.84Å; R181-E199 HydrophobicContact CG-CG 4.36Å; R181-E199 IonicContact CZ-OE1 2.61Å; R181-E199 VanDerWaalsContact CZ-OE1 3.23Å; R181-E199 IonicContact NE-OE1 2.79Å; R181-E199 PolarHBondContact NE-OE1 3.4Å; R181-E199 IonicContact NH2-OE1 2.68Å; R181-E199 PolarHBondContact NH2-OE1 2.85Å
182V93.1Very high93.3Very high37 Ų3729.6 Ų29.622%0.22415%0.152CC..EExtended strand (participates in β ladder)trans-143.2129.5-175-179.70000111.6Q179 R194 R195 T197Q179-V182 WeakPolarHBondContact CA-O 3.46Å; Q179-V182 HydrophobicContact CB-CB 4.12Å; Q179-V182 WeakPolarHBondContact CB-O 3.38Å; Q179-V182 PolarHBondContact N-O 2.83Å; Q179-V182 PolarHBondContact O-N 2.82Å; Q179-V182 VanDerWaalsContact O-N 3.07Å; V182-R194 HydrophobicContact CG1-CG 3.57Å; V182-R195 WeakPolarHBondContact CA-O 3.34Å; V182-T197 PolarHBondContact N-OG1 3.02Å
183L95.1Very high93.4Very high1 Ų129.8 Ų29.81%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-117.6116.6176.5-170.572.9000109.8F144 Y156 F158 I176 S177 I178 R194 R195 T197F144-L183 HydrophobicContact CB-CD2 3.64Å; F144-L183 HydrophobicContact CD1-CD1 3.84Å; F144-L183 HydrophobicContact CD1-CD2 3.44Å; F144-L183 VanDerWaalsContact CD1-CD2 3.44Å; F144-L183 HydrophobicContact CD1-CG 4.32Å; F144-L183 HydrophobicContact CD2-CD1 4.23Å; F144-L183 HydrophobicContact CD2-CD2 4.49Å; F144-L183 HydrophobicContact CE1-CD1 3.81Å; F144-L183 HydrophobicContact CE1-CD2 4.2Å; F144-L183 HydrophobicContact CE2-CD1 4.24Å; F144-L183 HydrophobicContact CG-CD1 4.05Å; F144-L183 HydrophobicContact CG-CD2 3.61Å; F144-L183 HydrophobicContact CG-CG 4.48Å; F144-L183 HydrophobicContact CZ-CD1 4.04Å; Y156-L183 HydrophobicContact CG-CD2 4.33Å; F158-L183 HydrophobicContact CE2-CD2 3.57Å; F158-L183 HydrophobicContact CE2-CG 4.2Å; F158-L183 HydrophobicContact CZ-CB 4.43Å; F158-L183 HydrophobicContact CZ-CD2 3.58Å; F158-L183 HydrophobicContact CZ-CG 3.82Å; I176-L183 HydrophobicContact CG2-CD1 3.58Å; I176-L183 HydrophobicContact CG2-CG 4.21Å; S177-L183 WeakPolarHBondContact O-CA 3.47Å; I178-L183 HydrophobicContact CB-CD1 4.34Å; I178-L183 HydrophobicContact CG1-CD1 3.75Å; L183-R194 CarbonylContact O-C 3.49Å; L183-R194 WeakPolarHBondContact O-CA 3.17Å; L183-R195 HydrophobicContact CB-CB 4.49Å; L183-R195 PolarHBondContact N-O 3.1Å; L183-R195 PolarHBondContact O-N 3.43Å; L183-T197 HydrophobicContact CB-CG2 3.63Å
184S95.4Very high93.5Very high0 Ų036.1 Ų36.10%018%0.179CC..EExtended strand (participates in β ladder)trans-117120.7-176.9-56.90000111I176 S177 R194I176-S184 WeakPolarHBondContact CA-O 3.4Å; S177-S184 PolarHBondContact N-O 2.91Å; S177-S184 PolarHBondContact O-N 2.85Å; S184-R194 PolarHBondContact OG-NE 3.5Å
185L96.6Very high93.5Very high0 Ų040.5 Ų40.50%020%0.195CC..EExtended strand (participates in β ladder)trans-99.3123.5179.8-178.366.4000110.5V142 F158 L163 L174 I176 I192 A193V142-L185 HydrophobicContact CB-CD2 4.18Å; V142-L185 HydrophobicContact CG1-CD1 4.49Å; V142-L185 HydrophobicContact CG2-CD2 4.42Å; F158-L185 HydrophobicContact CB-CD2 3.47Å; F158-L185 VanDerWaalsContact CB-CD2 3.47Å; F158-L185 HydrophobicContact CD1-CB 3.86Å; F158-L185 HydrophobicContact CD1-CD2 3.82Å; F158-L185 HydrophobicContact CD2-CB 4.5Å; F158-L185 HydrophobicContact CD2-CD2 3.96Å; F158-L185 HydrophobicContact CE1-CB 3.73Å; F158-L185 HydrophobicContact CE1-CD2 4.49Å; F158-L185 HydrophobicContact CE2-CB 4.4Å; F158-L185 HydrophobicContact CG-CB 4.22Å; F158-L185 HydrophobicContact CG-CD2 3.48Å; F158-L185 VanDerWaalsContact CG-CD2 3.48Å; F158-L185 HydrophobicContact CG-CG 4.46Å; F158-L185 HydrophobicContact CZ-CB 4.02Å; L163-L185 HydrophobicContact CD1-CD2 3.95Å; L163-L185 HydrophobicContact CD2-CD2 4.04Å; L174-L185 HydrophobicContact CD1-CD1 3.98Å; L174-L185 HydrophobicContact CG-CD1 4.31Å; I176-L185 HydrophobicContact CD1-CD1 4.12Å; I176-L185 HydrophobicContact CG1-CD1 3.76Å; L185-I192 HydrophobicContact CD2-CG2 4.32Å; L185-I192 HydrophobicContact CG-CB 4.38Å; L185-I192 WeakPolarHBondContact O-CB 3.36Å; L185-I192 PolarHBondContact O-N 2.71Å; L185-A193 PolarHBondContact N-O 3.42Å; L185-A193 PolarHBondContact O-N 2.92Å
186Y95Very high93.3Very high32 Ų3248 Ų4813%0.12523%0.231CC..EExtended strand (participates in β ladder)trans-115.8149.1177.9-65.1-100.4000110.6G175 N190 L191 I237 A238G175-Y186 PolarHBondContact N-O 2.87Å; G175-Y186 PolarHBondContact O-N 2.81Å; Y186-N190 CarbonylContact C-O 3.56Å; Y186-N190 VanDerWaalsContact CA-O 3.24Å; Y186-N190 WeakPolarHBondContact CA-O 3.39Å; Y186-L191 HydrophobicContact CD1-CB 4.12Å; Y186-L191 HydrophobicContact CD1-CD1 4.38Å; Y186-L191 HydrophobicContact CD2-CD1 4.37Å; Y186-L191 HydrophobicContact CE1-CB 3.87Å; Y186-L191 HydrophobicContact CE1-CD1 4.01Å; Y186-L191 HydrophobicContact CE1-CG 4.43Å; Y186-L191 HydrophobicContact CE2-CD1 3.99Å; Y186-I237 HydrophobicContact CD2-CG1 4.33Å; Y186-I237 HydrophobicContact CD2-CG2 3.56Å; Y186-I237 HydrophobicContact CE2-CG2 3.4Å; Y186-I237 VanDerWaalsContact CE2-CG2 3.4Å; Y186-I237 HydrophobicContact CG-CG2 4.32Å; Y186-A238 HydrophobicContact CD1-CB 4.49Å; Y186-A238 HydrophobicContact CE1-CB 3.9Å
187M94.2Very high92.9Very high9 Ų948.5 Ų48.54%0.04423%0.233CC..EExtended strand (participates in β ladder)trans-152120.4172.6-173.2-167.376.600108.3L163 A165 L166 K173 L174 N190 I192L163-M187 HydrophobicContact CD2-SD 4.1Å; A165-M187 HydrophobicContact CB-CE 3.98Å; L166-M187 HydrophobicContact CB-SD 4Å; L166-M187 HydrophobicContact CD1-SD 4.45Å; K173-M187 WeakPolarHBondContact O-CA 3.34Å; L174-M187 HydrophobicContact CD1-CB 4.12Å; L174-M187 HydrophobicContact CD1-CG 4.19Å; M187-N190 PolarHBondContact N-O 3.04Å; M187-N190 WeakPolarHBondContact O-CB 3.41Å; M187-N190 PolarHBondContact O-N 3.4Å; M187-I192 HydrophobicContact CB-CD1 3.96Å; M187-I192 HydrophobicContact CB-CG1 3.62Å; M187-I192 HydrophobicContact CE-CD1 4.25Å
188D91.5Very high92.4Very high29 Ų2953 Ų5316%0.15526%0.257CS..THydrogen-bonded Turntrans51.272176.3-47.9-37.2000112.6H172 K173 N190 I245H172-D188 VanDerWaalsContact CA-OD1 3.29Å; H172-D188 WeakPolarHBondContact CA-OD1 3.35Å; H172-D188 IonicContact CE1-OD2 2.72Å; H172-D188 IonicContact CG-OD2 3.18Å; H172-D188 IonicContact ND1-OD1 2.77Å; H172-D188 IonicContact ND1-OD2 3.76Å; H172-D188 PolarHBondContact ND1-OD2 3.43Å; K173-D188 PolarHBondContact N-OD1 2.82Å; K173-D188 PolarHBondContact O-N 3.22Å; K173-D188 VanDerWaalsContact O-N 3.09Å; D188-N190 PolarHBondContact O-N 3.44Å; D188-N190 PolarHBondContact O-ND2 2.86Å; D188-I245 HydrophobicContact CB-CD1 3.59Å
189C87.8Confident91.6Very high59 Ų5957.3 Ų57.340%0.39928%0.277SS..THydrogen-bonded Turntrans58.7-31.9-162.8-82.80000117.1T241 C242C189-T241 PolarHBondContact N-O 3.11Å; C189-C242 WeakPolarHBondContact CA-SG 3.31Å; C189-C242 HydrophobicContact CB-CB 4.29Å; C189-C242 WeakPolarHBondContact CB-SG 3.37Å; C189-C242 WeakPolarHBondContact SG-CA 3.26Å; C189-C242 WeakPolarHBondContact SG-CB 3.44Å; C189-C242 CovalentContact SG-SG 2.04Å; C189-C242 PolarHBondContact SG-SG 3.36Å
190N90.2Very high90.9Very high100 Ų10057.7 Ų57.754%0.53528%0.278SS..EExtended strand (participates in β ladder)trans-84.4131.9-160.4-67.3-78.3000112.8Y186 M187 D188 I192Y186-N190 CarbonylContact C-O 3.56Å; Y186-N190 VanDerWaalsContact CA-O 3.24Å; Y186-N190 WeakPolarHBondContact CA-O 3.39Å; M187-N190 PolarHBondContact N-O 3.04Å; M187-N190 WeakPolarHBondContact O-CB 3.41Å; M187-N190 PolarHBondContact O-N 3.4Å; D188-N190 PolarHBondContact O-N 3.44Å; D188-N190 PolarHBondContact O-ND2 2.86Å; N190-I192 HydrophobicContact CB-CD1 3.98Å; N190-I192 PolarHBondContact O-N 2.81Å; N190-I192 VanDerWaalsContact O-N 3.09Å
191L93.3Very high90.4Very high89 Ų8957.9 Ų57.947%0.46628%0.276SS..EExtended strand (participates in β ladder)trans-73.696.1168.9174.959.7000109.6Y186Y186-L191 HydrophobicContact CD1-CB 4.12Å; Y186-L191 HydrophobicContact CD1-CD1 4.38Å; Y186-L191 HydrophobicContact CD2-CD1 4.37Å; Y186-L191 HydrophobicContact CE1-CB 3.87Å; Y186-L191 HydrophobicContact CE1-CD1 4.01Å; Y186-L191 HydrophobicContact CE1-CG 4.43Å; Y186-L191 HydrophobicContact CE2-CD1 3.99Å
192I94.8Very high90Very high9 Ų957.1 Ų57.15%0.04629%0.287CS..EExtended strand (participates in β ladder)trans-70.1-37.7-176.5-57.4-50.5000112N160 E162 L163 L185 M187 N190N160-I192 HydrophobicContact CB-CG2 3.61Å; N160-I192 WeakPolarHBondContact ND2-CG2 3.26Å; N160-I192 PolarHBondContact ND2-O 3.11Å; E162-I192 HydrophobicContact CB-CD1 3.86Å; L163-I192 HydrophobicContact CD1-CG2 4.15Å; L163-I192 HydrophobicContact CD2-CG1 4.43Å; L163-I192 HydrophobicContact CD2-CG2 3.88Å; L163-I192 HydrophobicContact CG-CG2 3.71Å; L185-I192 HydrophobicContact CD2-CG2 4.32Å; L185-I192 HydrophobicContact CG-CB 4.38Å; L185-I192 WeakPolarHBondContact O-CB 3.36Å; L185-I192 PolarHBondContact O-N 2.71Å; M187-I192 HydrophobicContact CB-CD1 3.96Å; M187-I192 HydrophobicContact CB-CG1 3.62Å; M187-I192 HydrophobicContact CE-CD1 4.25Å; N190-I192 HydrophobicContact CB-CD1 3.98Å; N190-I192 PolarHBondContact O-N 2.81Å; N190-I192 VanDerWaalsContact O-N 3.09Å
193A95Very high89.5Confident16 Ų1656.1 Ų56.113%0.13228%0.281CS..EExtended strand (participates in β ladder)trans-172145.217800000112.2F158 L185F158-A193 HydrophobicContact CD1-CB 3.64Å; F158-A193 HydrophobicContact CE1-CB 3.97Å; L185-A193 PolarHBondContact N-O 3.42Å; L185-A193 PolarHBondContact O-N 2.92Å
194R95.2Very high89.1Confident136 Ų13658.1 Ų58.151%0.51329%0.292SS..EExtended strand (participates in β ladder)trans-104.2148.2161.4-176.6168.9-79.3-179.9-6.1110.4V182 L183 S184V182-R194 HydrophobicContact CG1-CG 3.57Å; L183-R194 CarbonylContact O-C 3.49Å; L183-R194 WeakPolarHBondContact O-CA 3.17Å; S184-R194 PolarHBondContact OG-NE 3.5Å
195R94.8Very high88.9Confident93 Ų9359.8 Ų59.835%0.35130%0.299SS..EExtended strand (participates in β ladder)trans-130.7141.3168.4-65.4-66.2177-97.95.6108.1Y156 F158 V182 L183Y156-R195 HydrophobicContact CD1-CB 4.36Å; F158-R195 HydrophobicContact CD1-CG 4.25Å; F158-R195 HydrophobicContact CE1-CB 4.43Å; F158-R195 HydrophobicContact CE1-CG 3.58Å; F158-R195 HydrophobicContact CZ-CB 4.47Å; F158-R195 HydrophobicContact CZ-CG 3.92Å; V182-R195 WeakPolarHBondContact CA-O 3.34Å; L183-R195 HydrophobicContact CB-CB 4.49Å; L183-R195 PolarHBondContact N-O 3.1Å; L183-R195 PolarHBondContact O-N 3.43Å
196Q92.2Very high88.6Confident159 Ų15965.1 Ų65.174%0.74332%0.324SS*.EExtended strand (participates in β ladder)trans-78.3144.3162.5-167.2167.55.700107.8Y156 R181Y156-Q196 WeakPolarHBondContact CE1-O 3.46Å; R181-Q196 WeakPolarHBondContact O-CA 3.22Å
197T88.3Confident88.6Confident12 Ų1264.2 Ų64.27%0.07432%0.324CS..  trans-125.4152.8177.663.10000110.2F146 Y156 R181 V182 L183F146-T197 HydrophobicContact CE1-CG2 4.24Å; Y156-T197 HydrophobicContact CD1-CG2 4.13Å; Y156-T197 HydrophobicContact CD2-CG2 4.32Å; Y156-T197 HydrophobicContact CE1-CG2 3.79Å; Y156-T197 HydrophobicContact CE2-CG2 4Å; Y156-T197 HydrophobicContact CG-CG2 4.39Å; Y156-T197 WeakPolarHBondContact OH-CA 3.44Å; R181-T197 WeakPolarHBondContact CA-O 3.39Å; R181-T197 WeakPolarHBondContact CA-OG1 3.44Å; R181-T197 PolarHBondContact O-N 2.84Å; V182-T197 PolarHBondContact N-OG1 3.02Å; L183-T197 HydrophobicContact CB-CG2 3.63Å
198D85.6Confident88.7Confident98 Ų9868.9 Ų68.952%0.52434%0.342SS..PPolyproline II helixtrans-74.2172.9167.3-44.7-80000109.3L154 Y156L154-D198 HydrophobicContact CD1-CB 3.74Å; Y156-D198 PolarHBondContact OH-N 3.2Å; Y156-D198 PolarHBondContact OH-OD2 2.97Å
199E77.4Confident88.9Confident101 Ų10167.5 Ų67.547%0.47233%0.334SS..PPolyproline II helixtrans-72.2137.4-176.4-65.2-176.3159.500112R181R181-E199 HydrophobicContact CG-CG 4.36Å; R181-E199 IonicContact CZ-OE1 2.61Å; R181-E199 VanDerWaalsContact CZ-OE1 3.23Å; R181-E199 IonicContact NE-OE1 2.79Å; R181-E199 PolarHBondContact NE-OE1 3.4Å; R181-E199 IonicContact NH2-OE1 2.68Å; R181-E199 PolarHBondContact NH2-OE1 2.85Å
200K76.9Confident89.3Confident49 Ų4965 Ų6521%0.21332%0.317CS..BIsolated β-bridgetrans-88.6138.5-175.4178.9-174.7164.2-165.70110.6Y100 F146 V203Y100-K200 VanDerWaalsContact CE1-NZ 3.29Å; Y100-K200 PolarHBondContact OH-NZ 3.28Å; F146-K200 HydrophobicContact CD2-CB 3.89Å; F146-K200 HydrophobicContact CD2-CG 3.75Å; F146-K200 HydrophobicContact CE2-CB 3.8Å; F146-K200 HydrophobicContact CE2-CG 4.2Å; F146-K200 HydrophobicContact CG-CG 4.29Å; F146-K200 HydrophobicContact CZ-CB 4.5Å; K200-V203 VanDerWaalsContact CE-CG2 3.5Å
201D76.4Confident89.7Confident46 Ų4660.2 Ų60.225%0.24629%0.291CS..PPolyproline II helixtrans-72.3161.5175.5-154.9-9.4000112.5Q147 T149 V203Q147-D201 VanDerWaalsContact O-CB 3.3Å; Q147-D201 WeakPolarHBondContact O-CB 3.26Å; Q147-D201 PolarHBondContact O-N 2.87Å; T149-D201 HydrophobicContact CG2-CB 4.3Å; D201-V203 PolarHBondContact O-N 3.35Å; D201-V203 VanDerWaalsContact O-N 3.1Å
202T80.6Confident89.8Confident124 Ų12456 Ų5676%0.76127%0.27SS*.  trans-50.9109.5155.254.70000110.5
203V84.2Confident89.9Confident17 Ų1755.9 Ų55.910%0.10327%0.269CS..  trans-77.5128.3-178.8160.90000110.3V122 Q130 I131 K200 D201 F205V122-V203 HydrophobicContact CG1-CG1 4.48Å; Q130-V203 HydrophobicContact CB-CG1 3.85Å; Q130-V203 HydrophobicContact CG-CG1 4.44Å; I131-V203 HydrophobicContact CD1-CG1 4.12Å; I131-V203 HydrophobicContact CD1-CG2 4.07Å; I131-V203 HydrophobicContact CG1-CG1 4.29Å; I131-V203 HydrophobicContact CG1-CG2 3.94Å; K200-V203 VanDerWaalsContact CE-CG2 3.5Å; D201-V203 PolarHBondContact O-N 3.35Å; D201-V203 VanDerWaalsContact O-N 3.1Å; V203-F205 HydrophobicContact CB-CD2 4.33Å; V203-F205 HydrophobicContact CB-CE2 3.72Å; V203-F205 HydrophobicContact CB-CZ 3.86Å; V203-F205 HydrophobicContact CG1-CD1 4.12Å; V203-F205 HydrophobicContact CG1-CD2 4.02Å; V203-F205 HydrophobicContact CG1-CE1 3.79Å; V203-F205 HydrophobicContact CG1-CE2 3.68Å; V203-F205 HydrophobicContact CG1-CG 4.22Å; V203-F205 HydrophobicContact CG1-CZ 3.55Å; V203-F205 WeakPolarHBondContact O-CD2 3.25Å; V203-F205 WeakPolarHBondContact O-CE2 3.39Å; V203-F205 PolarHBondContact O-N 2.83Å; V203-F205 VanDerWaalsContact O-N 3.07Å
204D86.8Confident89.9Confident43 Ų4358 Ų5823%0.2327%0.274CS..  trans-72.6101.9172-177.417.4000111.1N124 Q130 H206N124-D204 HydrophobicContact CB-CB 3.97Å; N124-D204 WeakPolarHBondContact CB-OD2 3.35Å; Q130-D204 HydrophobicContact CG-CB 4.48Å; D204-H206 VanDerWaalsContact C-N 3.3Å; D204-H206 WeakPolarHBondContact OD1-CA 3.46Å; D204-H206 VanDerWaalsContact OD1-CB 3.24Å; D204-H206 WeakPolarHBondContact OD1-CB 3.34Å; D204-H206 IonicContact OD1-CD2 2.7Å; D204-H206 PolarHBondContact OD1-CD2 3.44Å; D204-H206 IonicContact OD1-CG 3.76Å; D204-H206 PolarHBondContact OD1-N 3.25Å
205F90.4Very high89.9Confident34 Ų3454.3 Ų54.315%0.14927%0.266CS..  trans-82.5-0.6173.5-63.4-83.7000113.4T88 I89 F92 L96 V203 G207T88-F205 WeakPolarHBondContact CB-O 3.29Å; T88-F205 HydrophobicContact CG2-CB 3.9Å; T88-F205 HydrophobicContact CG2-CD1 3.63Å; T88-F205 HydrophobicContact CG2-CG 4.25Å; T88-F205 WeakPolarHBondContact CG2-O 3.46Å; I89-F205 PolarHBondContact N-O 2.83Å; F92-F205 HydrophobicContact CB-CD1 4.2Å; F92-F205 HydrophobicContact CD2-CD1 4.41Å; L96-F205 HydrophobicContact CB-CE1 4.21Å; L96-F205 HydrophobicContact CB-CZ 3.82Å; L96-F205 HydrophobicContact CD1-CE1 4.08Å; L96-F205 HydrophobicContact CD1-CZ 4.34Å; L96-F205 HydrophobicContact CG-CE1 3.87Å; L96-F205 HydrophobicContact CG-CZ 4.02Å; L96-F205 VanDerWaalsContact N-CZ 3.26Å; V203-F205 HydrophobicContact CB-CD2 4.33Å; V203-F205 HydrophobicContact CB-CE2 3.72Å; V203-F205 HydrophobicContact CB-CZ 3.86Å; V203-F205 HydrophobicContact CG1-CD1 4.12Å; V203-F205 HydrophobicContact CG1-CD2 4.02Å; V203-F205 HydrophobicContact CG1-CE1 3.79Å; V203-F205 HydrophobicContact CG1-CE2 3.68Å; V203-F205 HydrophobicContact CG1-CG 4.22Å; V203-F205 HydrophobicContact CG1-CZ 3.55Å; V203-F205 WeakPolarHBondContact O-CD2 3.25Å; V203-F205 WeakPolarHBondContact O-CE2 3.39Å; V203-F205 PolarHBondContact O-N 2.83Å; V203-F205 VanDerWaalsContact O-N 3.07Å; F205-G207 PolarHBondContact O-N 3.31Å
206H90.3Very high89.8Confident113 Ų11354.7 Ų54.752%0.52329%0.289SS..SBendtrans-8463.6172.6-60.2-87.4000111.5Q125 D204Q125-H206 WeakPolarHBondContact CA-O 3.27Å; Q125-H206 WeakPolarHBondContact CB-O 3.41Å; Q125-H206 WeakPolarHBondContact CG-O 3.2Å; Q125-H206 PolarHBondContact N-O 3.07Å; Q125-H206 VanDerWaalsContact N-O 3.15Å; Q125-H206 VanDerWaalsContact NE2-CB 3.32Å; Q125-H206 PolarHBondContact NE2-O 2.74Å; Q125-H206 VanDerWaalsContact NE2-O 3.09Å; D204-H206 VanDerWaalsContact C-N 3.3Å; D204-H206 WeakPolarHBondContact OD1-CA 3.46Å; D204-H206 VanDerWaalsContact OD1-CB 3.24Å; D204-H206 WeakPolarHBondContact OD1-CB 3.34Å; D204-H206 IonicContact OD1-CD2 2.7Å; D204-H206 PolarHBondContact OD1-CD2 3.44Å; D204-H206 IonicContact OD1-CG 3.76Å; D204-H206 PolarHBondContact OD1-N 3.25Å
207G93.9Very high89.8Confident13 Ų1350 Ų5013%0.13427%0.269CS..EExtended strand (participates in β ladder)trans-157.7-137.9179.700000113.8T88 L123 F205T88-G207 PolarHBondContact N-O 2.81Å; T88-G207 VanDerWaalsContact OG1-C 3.26Å; T88-G207 PolarHBondContact OG1-O 2.91Å; L123-G207 CarbonylContact O-C 3.6Å; L123-G207 VanDerWaalsContact O-CA 3.27Å; L123-G207 WeakPolarHBondContact O-CA 3.47Å; F205-G207 PolarHBondContact O-N 3.31Å
208R96.3Very high89.9Confident107 Ų10751 Ų5140%0.40428%0.281SS..EExtended strand (participates in β ladder)trans-128.3133.7-174.8-61.9-169.1-70.8-177.4-1.8112.6I85 R86 T88 L123 N127I85-R208 HydrophobicContact CG2-CB 4.11Å; R86-R208 CarbonylContact O-C 3.51Å; R86-R208 WeakPolarHBondContact O-CA 3.28Å; T88-R208 VanDerWaalsContact OG1-CA 3.25Å; T88-R208 WeakPolarHBondContact OG1-CA 3.4Å; T88-R208 PolarHBondContact OG1-N 2.88Å; T88-R208 VanDerWaalsContact OG1-N 3.11Å; T88-R208 PolarHBondContact OG1-O 3.09Å; L123-R208 WeakPolarHBondContact CA-O 3.2Å; L123-R208 WeakPolarHBondContact CB-O 3.35Å; L123-R208 PolarHBondContact N-O 3.38Å; L123-R208 PolarHBondContact O-N 2.85Å; N127-R208 PolarHBondContact OD1-NE 2.78Å; N127-R208 PolarHBondContact OD1-NH2 2.88Å
209T96.8Very high90.3Very high0 Ų051.3 Ų51.30%028%0.278CS..EExtended strand (participates in β ladder)trans-105.9136.4178.2178.70000109.2F63 I85 R86 T88 V91 W120 Q121F63-T209 HydrophobicContact CE2-CG2 4.24Å; F63-T209 HydrophobicContact CZ-CG2 3.83Å; F63-T209 WeakPolarHBondContact CZ-O 3.46Å; I85-T209 WeakPolarHBondContact CA-O 3.37Å; R86-T209 HydrophobicContact CB-CG2 4.08Å; R86-T209 PolarHBondContact N-O 2.86Å; R86-T209 PolarHBondContact O-N 2.81Å; T88-T209 PolarHBondContact OG1-N 2.86Å; V91-T209 HydrophobicContact CB-CG2 4.11Å; V91-T209 HydrophobicContact CG2-CG2 3.68Å; W120-T209 PolarHBondContact NE1-OG1 3.1Å; W120-T209 VanDerWaalsContact NE1-OG1 3.1Å; Q121-T209 WeakPolarHBondContact O-CA 3.38Å
210V96.8Very high91.1Very high6 Ų647.3 Ų47.34%0.03626%0.261CS..EExtended strand (participates in β ladder)trans-131.2143.5-175.6-48.60000110.5L84 I85 W120 Q121L84-V210 WeakPolarHBondContact O-CA 3.46Å; I85-V210 HydrophobicContact CB-CG1 4.24Å; I85-V210 HydrophobicContact CD1-CG1 4.32Å; I85-V210 HydrophobicContact CG1-CB 4.47Å; I85-V210 HydrophobicContact CG1-CG1 3.76Å; I85-V210 HydrophobicContact CG2-CG1 4.05Å; W120-V210 CarbonylContact C-O 3.57Å; W120-V210 WeakPolarHBondContact CA-O 3.48Å; Q121-V210 HydrophobicContact CB-CG2 3.7Å; Q121-V210 HydrophobicContact CG-CG2 4.11Å; Q121-V210 PolarHBondContact N-O 3.07Å; Q121-V210 PolarHBondContact O-N 2.8Å
211I97.1Very high92Very high0 Ų045.2 Ų45.20%025%0.252CS..EExtended strand (participates in β ladder)trans-132.8145.9179.860.7171.7000111.5L59 F63 L65 L84 L119 W120 T213 L228L59-I211 HydrophobicContact CB-CG2 4.48Å; L59-I211 HydrophobicContact CD1-CG2 3.93Å; F63-I211 HydrophobicContact CB-CD1 3.9Å; F63-I211 HydrophobicContact CD1-CD1 3.85Å; F63-I211 HydrophobicContact CD1-CG1 3.77Å; F63-I211 HydrophobicContact CD2-CD1 3.62Å; F63-I211 HydrophobicContact CD2-CG1 4.17Å; F63-I211 HydrophobicContact CD2-CG2 4.46Å; F63-I211 HydrophobicContact CE1-CD1 4.25Å; F63-I211 HydrophobicContact CE1-CG1 3.78Å; F63-I211 HydrophobicContact CE1-CG2 4.47Å; F63-I211 HydrophobicContact CE2-CD1 4.03Å; F63-I211 HydrophobicContact CE2-CG1 4.16Å; F63-I211 HydrophobicContact CE2-CG2 3.81Å; F63-I211 HydrophobicContact CG-CD1 3.5Å; F63-I211 HydrophobicContact CG-CG1 3.97Å; F63-I211 HydrophobicContact CZ-CB 4.39Å; F63-I211 HydrophobicContact CZ-CD1 4.32Å; F63-I211 HydrophobicContact CZ-CG1 3.96Å; F63-I211 HydrophobicContact CZ-CG2 3.81Å; L65-I211 HydrophobicContact CD1-CD1 4Å; L84-I211 HydrophobicContact CB-CG1 3.95Å; L84-I211 WeakPolarHBondContact CB-O 3.4Å; L84-I211 HydrophobicContact CD1-CG1 4.23Å; L84-I211 PolarHBondContact O-N 3.35Å; L119-I211 WeakPolarHBondContact O-CA 3.31Å; W120-I211 HydrophobicContact CB-CG2 4.31Å; W120-I211 HydrophobicContact CG-CG2 4.4Å; I211-T213 VanDerWaalsContact C-N 3.29Å; I211-T213 PolarHBondContact O-N 2.89Å; I211-L228 HydrophobicContact CB-CD2 3.87Å; I211-L228 HydrophobicContact CD1-CD2 4.22Å; I211-L228 HydrophobicContact CG2-CD2 3.64Å
212A96.4Very high92.8Very high1 Ų145.2 Ų45.21%0.00825%0.252CS..EExtended strand (participates in β ladder)trans46.246175.600000114.2L79 F118 L119 P220 V221 I223L79-A212 HydrophobicContact CD1-CB 3.73Å; L79-A212 HydrophobicContact CD2-CB 4.28Å; F118-A212 CarbonylContact O-C 3.55Å; F118-A212 WeakPolarHBondContact O-CA 3.43Å; F118-A212 PolarHBondContact O-N 2.8Å; F118-A212 VanDerWaalsContact O-N 3.11Å; L119-A212 PolarHBondContact O-N 3.02Å; A212-P220 CarbonylContact O-C 3.54Å; A212-P220 WeakPolarHBondContact O-CA 3.03Å; A212-V221 HydrophobicContact CB-CG1 4.12Å; A212-V221 WeakPolarHBondContact O-CG1 3.46Å; A212-V221 PolarHBondContact O-N 3.07Å; A212-I223 HydrophobicContact CB-CD1 4.2Å
213T96.3Very high93.5Very high5 Ų539.7 Ų39.73%0.03122%0.218CC..EExtended strand (participates in β ladder)trans-110144.7-179.850.20000112.1W117 F118 I211 G218 K219W117-T213 CarbonylContact C-O 3.57Å; W117-T213 WeakPolarHBondContact CA-O 3.47Å; W117-T213 WeakPolarHBondContact CB-O 3.4Å; F118-T213 PolarHBondContact N-O 3.28Å; F118-T213 PolarHBondContact O-N 3.43Å; I211-T213 VanDerWaalsContact C-N 3.29Å; I211-T213 PolarHBondContact O-N 2.89Å; T213-G218 VanDerWaalsContact CG2-O 3.26Å; T213-G218 WeakPolarHBondContact CG2-O 3.36Å; T213-K219 CarbonylContact C-O 3.55Å; T213-K219 WeakPolarHBondContact CA-O 3.39Å
214R96.2Very high93.8Very high62 Ų6239.9 Ų39.923%0.23422%0.218CC..EExtended strand (participates in β ladder)trans-79.7136178.5-61.4-175.8-60.7165.75.2111E115 W117 A216 D217 G218 K219 V221E115-R214 VanDerWaalsContact CD-CD 3.42Å; E115-R214 VanDerWaalsContact OE1-CD 3.22Å; E115-R214 WeakPolarHBondContact OE1-CD 3.43Å; E115-R214 IonicContact OE1-CZ 2.72Å; E115-R214 IonicContact OE1-NE 3.43Å; E115-R214 IonicContact OE1-NH1 3.23Å; E115-R214 PolarHBondContact OE1-NH1 3.11Å; E115-R214 WeakPolarHBondContact OE2-CD 3.46Å; W117-R214 HydrophobicContact CB-CG 4.46Å; R214-A216 PolarHBondContact O-N 2.01Å; R214-D217 IonicContact CZ-OD1 2.85Å; R214-D217 IonicContact CZ-OD2 2.78Å; R214-D217 IonicContact NE-OD1 3.33Å; R214-D217 PolarHBondContact NE-OD1 2.9Å; R214-D217 IonicContact NH2-OD1 3.72Å; R214-D217 PolarHBondContact NH2-OD1 2.91Å; R214-D217 IonicContact NH2-OD2 3.33Å; R214-D217 PolarHBondContact NH2-OD2 3.47Å; R214-D217 PolarHBondContact O-N 3.18Å; R214-G218 WeakPolarHBondContact O-CA 3.19Å; R214-G218 PolarHBondContact O-N 2.77Å; R214-K219 PolarHBondContact N-O 3.26Å; R214-V221 HydrophobicContact CG-CB 3.58Å; R214-V221 HydrophobicContact CG-CG2 3.81Å
215V94.3Very high94.1Very high58 Ų5837.9 Ų37.935%0.35221%0.207SC..THydrogen-bonded Turntrans-64.3-26.4-178.3-178.50000111.9R116 F118 V134R116-V215 HydrophobicContact CB-CG2 4.49Å; R116-V215 HydrophobicContact CG-CB 4.46Å; R116-V215 HydrophobicContact CG-CG2 3.94Å; R116-V215 WeakPolarHBondContact O-CB 3.45Å; R116-V215 WeakPolarHBondContact O-CG2 3.45Å; R116-V215 PolarHBondContact O-N 2.79Å; F118-V215 HydrophobicContact CD1-CG2 4.12Å; F118-V215 HydrophobicContact CD2-CG2 4.03Å; F118-V215 HydrophobicContact CE1-CG2 3.83Å; F118-V215 HydrophobicContact CE2-CB 4.29Å; F118-V215 HydrophobicContact CE2-CG1 4.37Å; F118-V215 HydrophobicContact CE2-CG2 3.74Å; F118-V215 HydrophobicContact CG-CG2 4.22Å; F118-V215 HydrophobicContact CZ-CB 4.34Å; F118-V215 HydrophobicContact CZ-CG1 4.09Å; F118-V215 HydrophobicContact CZ-CG2 3.64Å; V134-V215 HydrophobicContact CG1-CG2 4.32Å
216A92.2Very high94.2Very high101 Ų10137.8 Ų37.884%0.83521%0.207SC*.THydrogen-bonded Turntrans-75.8-35.1-175.700000114.7R214R214-A216 PolarHBondContact O-N 2.01Å
217D91.6Very high94.2Very high61 Ų6132.9 Ų32.933%0.32618%0.184SC..THydrogen-bonded Turntrans-141.75.6-174.180.1-19.4000115.6R214 K219R214-D217 IonicContact CZ-OD1 2.85Å; R214-D217 IonicContact CZ-OD2 2.78Å; R214-D217 IonicContact NE-OD1 3.33Å; R214-D217 PolarHBondContact NE-OD1 2.9Å; R214-D217 IonicContact NH2-OD1 3.72Å; R214-D217 PolarHBondContact NH2-OD1 2.91Å; R214-D217 IonicContact NH2-OD2 3.33Å; R214-D217 PolarHBondContact NH2-OD2 3.47Å; R214-D217 PolarHBondContact O-N 3.18Å; D217-K219 PolarHBondContact O-N 3.21Å; D217-K219 WeakPolarHBondContact OD1-CB 3.37Å; D217-K219 PolarHBondContact OD1-N 3.2Å; D217-K219 VanDerWaalsContact OD2-CD 3.29Å; D217-K219 WeakPolarHBondContact OD2-CD 3.49Å; D217-K219 WeakPolarHBondContact OD2-CE 3.04Å; D217-K219 WeakPolarHBondContact OD2-CG 3.36Å; D217-K219 IonicContact OD2-NZ 3.43Å; D217-K219 PolarHBondContact OD2-NZ 3.14Å
218G91.1Very high94.2Very high32 Ų3232.2 Ų32.233%0.3318%0.178SC..SBendtrans69-4.7177.500000115.6T213 R214T213-G218 VanDerWaalsContact CG2-O 3.26Å; T213-G218 WeakPolarHBondContact CG2-O 3.36Å; R214-G218 WeakPolarHBondContact O-CA 3.19Å; R214-G218 PolarHBondContact O-N 2.77Å
219K94.4Very high94.1Very high105 Ų10528.4 Ų28.446%0.45716%0.164SC..SBendtrans-75.1161.2178.2-57.7-169.7-166.2106.30111L83 T213 R214 D217L83-K219 HydrophobicContact CD2-CG 4.29Å; T213-K219 CarbonylContact C-O 3.55Å; T213-K219 WeakPolarHBondContact CA-O 3.39Å; R214-K219 PolarHBondContact N-O 3.26Å; D217-K219 PolarHBondContact O-N 3.21Å; D217-K219 WeakPolarHBondContact OD1-CB 3.37Å; D217-K219 PolarHBondContact OD1-N 3.2Å; D217-K219 VanDerWaalsContact OD2-CD 3.29Å; D217-K219 WeakPolarHBondContact OD2-CD 3.49Å; D217-K219 WeakPolarHBondContact OD2-CE 3.04Å; D217-K219 WeakPolarHBondContact OD2-CG 3.36Å; D217-K219 IonicContact OD2-NZ 3.43Å; D217-K219 PolarHBondContact OD2-NZ 3.14Å
220P95.1Very high94Very high16 Ų1628.4 Ų28.410%0.10416%0.164CC..BIsolated β-bridgetrans-50.9142.9172.8-2836.1000112.8L79 A82 L84 A212L79-P220 HydrophobicContact CB-CB 4.19Å; A82-P220 WeakPolarHBondContact O-CD 3.03Å; A82-P220 WeakPolarHBondContact O-CG 3.4Å; L84-P220 HydrophobicContact CG-CG 4.25Å; A212-P220 CarbonylContact O-C 3.54Å; A212-P220 WeakPolarHBondContact O-CA 3.03Å
221V95.7Very high93.8Very high5 Ų528.2 Ų28.23%0.0316%0.162CC..PPolyproline II helixtrans-83.1146.8172.967.70000111A112 W117 A212 R214 I223A112-V221 HydrophobicContact CB-CG2 3.54Å; W117-V221 HydrophobicContact CB-CB 4.06Å; W117-V221 HydrophobicContact CB-CG1 4.37Å; W117-V221 HydrophobicContact CB-CG2 3.95Å; W117-V221 HydrophobicContact CD2-CB 4.38Å; W117-V221 HydrophobicContact CD2-CG1 3.9Å; W117-V221 HydrophobicContact CD2-CG2 4.1Å; W117-V221 HydrophobicContact CE3-CG1 3.77Å; W117-V221 HydrophobicContact CG-CB 4.17Å; W117-V221 HydrophobicContact CG-CG1 4.2Å; W117-V221 HydrophobicContact CG-CG2 3.71Å; W117-V221 HydrophobicContact CZ3-CG1 4.29Å; A212-V221 HydrophobicContact CB-CG1 4.12Å; A212-V221 WeakPolarHBondContact O-CG1 3.46Å; A212-V221 PolarHBondContact O-N 3.07Å; R214-V221 HydrophobicContact CG-CB 3.58Å; R214-V221 HydrophobicContact CG-CG2 3.81Å; V221-I223 VanDerWaalsContact C-N 3.27Å; V221-I223 HydrophobicContact CG1-CB 4.43Å; V221-I223 HydrophobicContact CG1-CD1 3.8Å; V221-I223 HydrophobicContact CG1-CG1 3.87Å; V221-I223 HydrophobicContact CG1-CG2 3.91Å; V221-I223 HydrophobicContact CG2-CG2 4.2Å; V221-I223 PolarHBondContact O-N 3.19Å
222D92.9Very high93.5Very high46 Ų4629.2 Ų29.225%0.24617%0.17CC..SBendtrans-75.377.1176.3-176.640.6000111R109 N111 A112R109-D222 VanDerWaalsContact CB-O 3.28Å; R109-D222 WeakPolarHBondContact CB-O 3.4Å; R109-D222 WeakPolarHBondContact CB-OD2 3.48Å; R109-D222 VanDerWaalsContact CD-CG 3.48Å; R109-D222 WeakPolarHBondContact CD-OD1 3.49Å; R109-D222 IonicContact CZ-OD1 2.74Å; R109-D222 PolarHBondContact N-O 3.23Å; R109-D222 IonicContact NE-OD1 3.95Å; R109-D222 IonicContact NH1-OD1 3.48Å; R109-D222 PolarHBondContact NH1-OD1 3.33Å; N111-D222 HydrophobicContact CB-CB 4.25Å; N111-D222 PolarHBondContact ND2-OD2 3.14Å; A112-D222 WeakPolarHBondContact CB-O 3.13Å
223I93.9Very high93.2Very high9 Ų931.1 Ų31.15%0.04618%0.183CC..EExtended strand (participates in β ladder)trans-128.8162169.970.9-177.5000110L79 F106 V108 A112 W117 A212 V221L79-I223 HydrophobicContact CD1-CD1 4.34Å; L79-I223 HydrophobicContact CD1-CG1 3.67Å; F106-I223 HydrophobicContact CB-CD1 4.31Å; V108-I223 HydrophobicContact CG1-CG2 4.48Å; V108-I223 HydrophobicContact CG2-CG2 4.44Å; A112-I223 HydrophobicContact CB-CG2 3.89Å; W117-I223 HydrophobicContact CH2-CD1 3.72Å; W117-I223 HydrophobicContact CH2-CG2 4.31Å; W117-I223 HydrophobicContact CZ2-CD1 4.48Å; W117-I223 HydrophobicContact CZ2-CG2 4.06Å; W117-I223 HydrophobicContact CZ3-CD1 3.74Å; A212-I223 HydrophobicContact CB-CD1 4.2Å; V221-I223 VanDerWaalsContact C-N 3.27Å; V221-I223 HydrophobicContact CG1-CB 4.43Å; V221-I223 HydrophobicContact CG1-CD1 3.8Å; V221-I223 HydrophobicContact CG1-CG1 3.87Å; V221-I223 HydrophobicContact CG1-CG2 3.91Å; V221-I223 HydrophobicContact CG2-CG2 4.2Å; V221-I223 PolarHBondContact O-N 3.19Å
224E91.9Very high92.8Very high21 Ų2131 Ų3110%0.09818%0.182CC..EExtended strand (participates in β ladder)trans-100.3125.3162.2-73.8154.3-151.900108.5F106 R107 R109 W171F106-E224 CarbonylContact C-O 3.47Å; F106-E224 WeakPolarHBondContact CA-O 3.07Å; F106-E224 VanDerWaalsContact CB-O 3.29Å; F106-E224 WeakPolarHBondContact CB-O 3.22Å; R107-E224 HydrophobicContact CB-CB 4.3Å; R107-E224 IonicContact CZ-OE2 2.75Å; R107-E224 PolarHBondContact N-O 3.36Å; R107-E224 IonicContact NE-OE2 2.71Å; R107-E224 PolarHBondContact NE-OE2 3.44Å; R107-E224 IonicContact NH2-OE1 2.92Å; R107-E224 PolarHBondContact NH2-OE1 3.45Å; R107-E224 IonicContact NH2-OE2 2.83Å; R107-E224 PolarHBondContact NH2-OE2 3.22Å; R107-E224 PolarHBondContact O-N 3.49Å; R109-E224 IonicContact CZ-OE1 3.73Å; R109-E224 IonicContact NE-OE1 2.7Å; R109-E224 PolarHBondContact NE-OE1 3.21Å; R109-E224 IonicContact NH2-OE1 2.73Å; R109-E224 PolarHBondContact NH2-OE1 3.32Å; W171-E224 HydrophobicContact CH2-CB 3.75Å; W171-E224 HydrophobicContact CZ2-CB 4.21Å; W171-E224 HydrophobicContact CZ3-CB 4.45Å; W171-E224 WeakPolarHBondContact CZ3-O 3.16Å
225L93.4Very high92.2Very high0 Ų033.3 Ų33.30%020%0.199CC..EExtended strand (participates in β ladder)trans-108.9123.8-178.7-176.366.1000108.8L65 C76 F77 L79 F106 Q227 L228L65-L225 HydrophobicContact CD1-CD2 4.2Å; C76-L225 CarbonylContact C-O 3.43Å; C76-L225 WeakPolarHBondContact CA-O 3.29Å; F77-L225 HydrophobicContact CB-CB 4.45Å; F77-L225 HydrophobicContact CD2-CG 4.42Å; F77-L225 PolarHBondContact N-O 3.08Å; L79-L225 HydrophobicContact CD2-CB 4.16Å; L79-L225 HydrophobicContact CD2-CD2 3.99Å; F106-L225 HydrophobicContact CB-CD1 4.04Å; L225-Q227 WeakPolarHBondContact CD1-O 3.41Å; L225-L228 HydrophobicContact CD1-CB 4.28Å; L225-L228 HydrophobicContact CD2-CB 4.12Å; L225-L228 HydrophobicContact CD2-CD2 4.46Å
226H90.8Very high91.5Very high33 Ų3332.7 Ų32.715%0.15319%0.193CC..EExtended strand (participates in β ladder)trans-94.4-49.3175.6173.974.2000110.9T75 F77 M105 W171T75-H226 PolarHBondContact O-ND1 3.5Å; F77-H226 WeakPolarHBondContact CD2-O 3.42Å; F77-H226 WeakPolarHBondContact CE2-O 3.44Å; M105-H226 HydrophobicContact CB-CB 4.19Å; M105-H226 HydrophobicContact CE-CB 3.92Å; M105-H226 HydrophobicContact CG-CB 4.1Å; M105-H226 PolarHBondContact O-N 3.21Å; M105-H226 HydrophobicContact SD-CB 4.34Å; M105-H226 PolarHBondContact SD-CD2 2.91Å; W171-H226 HydrophobicContact CE3-CB 4.16Å; W171-H226 HydrophobicContact CH2-CB 3.95Å; W171-H226 HydrophobicContact CZ3-CB 3.49Å; W171-H226 VanDerWaalsContact CZ3-CB 3.49Å
227Q90.9Very high91.1Very high9 Ų928 Ų284%0.04215%0.154CC..EExtended strand (participates in β ladder)trans-137.5141.7-177.7177.6168.4-72.700110.1A104 M105 L225 K229 E240A104-Q227 CarbonylContact C-O 3.56Å; A104-Q227 VanDerWaalsContact CA-O 3.29Å; A104-Q227 WeakPolarHBondContact CA-O 3.49Å; M105-Q227 HydrophobicContact CB-CB 4.11Å; M105-Q227 PolarHBondContact N-O 2.77Å; M105-Q227 PolarHBondContact O-N 2.92Å; L225-Q227 WeakPolarHBondContact CD1-O 3.41Å; Q227-K229 HydrophobicContact CG-CB 4.43Å; Q227-K229 HydrophobicContact CG-CD 3.83Å; Q227-K229 HydrophobicContact CG-CG 3.88Å; Q227-E240 PolarHBondContact NE2-OE1 3.39Å
228L94.3Very high90.3Very high0 Ų027 Ų270%015%0.154CC..EExtended strand (participates in β ladder)trans-144.3101.3163.6-178.462.9000108.7L59 V102 T103 A104 L119 I211 L225L59-L228 HydrophobicContact CB-CB 4.36Å; L59-L228 HydrophobicContact CB-CD2 3.93Å; L59-L228 HydrophobicContact CB-CG 3.95Å; L59-L228 WeakPolarHBondContact CB-O 3.16Å; L59-L228 HydrophobicContact CD1-CD2 3.97Å; L59-L228 HydrophobicContact CD1-CG 4.02Å; L59-L228 HydrophobicContact CG-CD2 4.5Å; L59-L228 HydrophobicContact CG-CG 4.32Å; L59-L228 PolarHBondContact N-O 2.86Å; V102-L228 HydrophobicContact CG1-CD1 4.41Å; T103-L228 WeakPolarHBondContact O-CA 3.4Å; A104-L228 HydrophobicContact CB-CD1 3.68Å; L119-L228 HydrophobicContact CD1-CD1 4.24Å; L119-L228 HydrophobicContact CG-CD1 4.37Å; I211-L228 HydrophobicContact CB-CD2 3.87Å; I211-L228 HydrophobicContact CD1-CD2 4.22Å; I211-L228 HydrophobicContact CG2-CD2 3.64Å; L225-L228 HydrophobicContact CD1-CB 4.28Å; L225-L228 HydrophobicContact CD2-CB 4.12Å; L225-L228 HydrophobicContact CD2-CD2 4.46Å
229K93.2Very high89.5Confident26 Ų2628.7 Ų28.711%0.11315%0.154CC..EExtended strand (participates in β ladder)trans-124.8144.5-176-71.9172.5-174.2160.60110.4F57 D58 T103 Q227 Y231F57-K229 WeakPolarHBondContact O-CA 3.39Å; D58-K229 HydrophobicContact CB-CG 4.25Å; D58-K229 WeakPolarHBondContact OD2-CE 3.26Å; D58-K229 VanDerWaalsContact OD2-CG 3.32Å; D58-K229 WeakPolarHBondContact OD2-CG 3.38Å; T103-K229 PolarHBondContact N-O 2.75Å; T103-K229 PolarHBondContact O-N 3.04Å; Q227-K229 HydrophobicContact CG-CB 4.43Å; Q227-K229 HydrophobicContact CG-CD 3.83Å; Q227-K229 HydrophobicContact CG-CG 3.88Å; K229-Y231 HydrophobicContact CB-CD2 4.3Å; K229-Y231 HydrophobicContact CB-CE2 3.56Å; K229-Y231 HydrophobicContact CD-CE2 4.48Å; K229-Y231 WeakPolarHBondContact CD-OH 3.34Å
230I94.9Very high88.8Confident0 Ų024.1 Ų24.10%013%0.134CC..EExtended strand (participates in β ladder)trans-111.7124.8168.4-57.1-167.9000107.6G56 F57 L59 F92 L96 Y100 S101 V102 W120G56-I230 CarbonylContact C-O 3.54Å; G56-I230 WeakPolarHBondContact CA-O 3.44Å; F57-I230 PolarHBondContact N-O 3.45Å; F57-I230 PolarHBondContact O-N 2.83Å; L59-I230 HydrophobicContact CD1-CD1 4.04Å; L59-I230 HydrophobicContact CD1-CG1 4.16Å; L59-I230 HydrophobicContact CG-CG1 4.44Å; F92-I230 HydrophobicContact CE1-CD1 3.98Å; F92-I230 HydrophobicContact CZ-CD1 3.8Å; L96-I230 HydrophobicContact CD2-CG2 4Å; Y100-I230 HydrophobicContact CD2-CG2 4.01Å; S101-I230 CarbonylContact O-C 3.58Å; S101-I230 VanDerWaalsContact O-CA 3.31Å; S101-I230 WeakPolarHBondContact O-CA 3.34Å; V102-I230 HydrophobicContact CG1-CG1 4.25Å; V102-I230 HydrophobicContact CG2-CD1 4.24Å; V102-I230 HydrophobicContact CG2-CG1 4.07Å; V102-I230 HydrophobicContact CG2-CG2 4.36Å; W120-I230 HydrophobicContact CD2-CD1 4.03Å; W120-I230 HydrophobicContact CE3-CD1 3.97Å; W120-I230 HydrophobicContact CH2-CD1 3.56Å; W120-I230 HydrophobicContact CZ2-CD1 3.59Å; W120-I230 HydrophobicContact CZ3-CD1 3.76Å
231Y93.2Very high88Confident2 Ų223.3 Ų23.31%0.00813%0.129CC..EExtended strand (participates in β ladder)trans-104.4138.3180-60.6-103.3000109.4L37 V54 Y100 S101 T103 K229 S233 E240L37-Y231 HydrophobicContact CD1-CD1 4.06Å; L37-Y231 HydrophobicContact CD1-CE1 4.05Å; V54-Y231 HydrophobicContact CG1-CD1 3.47Å; V54-Y231 VanDerWaalsContact CG1-CD1 3.47Å; V54-Y231 HydrophobicContact CG1-CE1 3.81Å; Y100-Y231 CarbonylContact C-O 3.59Å; Y100-Y231 WeakPolarHBondContact CA-O 3.24Å; Y100-Y231 WeakPolarHBondContact CB-O 3.43Å; S101-Y231 PolarHBondContact N-O 3.41Å; S101-Y231 PolarHBondContact O-N 3.07Å; T103-Y231 WeakPolarHBondContact OG1-CE2 3.05Å; K229-Y231 HydrophobicContact CB-CD2 4.3Å; K229-Y231 HydrophobicContact CB-CE2 3.56Å; K229-Y231 HydrophobicContact CD-CE2 4.48Å; K229-Y231 WeakPolarHBondContact CD-OH 3.34Å; Y231-S233 PolarHBondContact O-N 3.3Å; Y231-S233 VanDerWaalsContact O-N 3.11Å; Y231-E240 HydrophobicContact CE2-CG 4.16Å; Y231-E240 PolarHBondContact OH-OE1 2.84Å; Y231-E240 PolarHBondContact OH-OE2 3Å
232C91.4Very high87.1Confident22 Ų2224.6 Ų24.615%0.14914%0.138CC..SBendtrans-82.723.3178.4-68.40000114C34 S55 P97C34-C232 HydrophobicContact CB-CB 3.56Å; C34-C232 WeakPolarHBondContact CB-SG 3.18Å; C34-C232 WeakPolarHBondContact SG-CB 3.3Å; C34-C232 CovalentContact SG-SG 2.01Å; C34-C232 PolarHBondContact SG-SG 2.76Å; S55-C232 PolarHBondContact O-N 3.02Å; P97-C232 HydrophobicContact CG-CB 3.87Å
233S88.9Confident85.8Confident41 Ų4123 Ų2329%0.28713%0.13SC..  trans-132.3133.6165.5-178.70000108.8S101 Y231 N235S101-S233 PolarHBondContact OG-O 2.8Å; Y231-S233 PolarHBondContact O-N 3.3Å; Y231-S233 VanDerWaalsContact O-N 3.11Å; S233-N235 VanDerWaalsContact C-N 3.26Å; S233-N235 PolarHBondContact O-N 3.44Å; S233-N235 PolarHBondContact OG-N 2.7Å
234A89.5Confident84.2Confident2 Ų225.9 Ų25.92%0.01714%0.143CC..SBendtrans-74.8-15173.800000113.3E99 S177 I178 Q179E99-A234 HydrophobicContact CB-CB 4.07Å; S177-A234 WeakPolarHBondContact CB-O 3.49Å; S177-A234 PolarHBondContact OG-O 3.38Å; I178-A234 WeakPolarHBondContact O-CB 3.25Å; Q179-A234 HydrophobicContact CG-CB 3.6Å
235N83.4Confident82.3Confident110 Ų11029.7 Ų29.759%0.58816%0.164SC*.SBendtrans-92.5-25.9-167.5-63.2-24000113.9Q179 S233 I237Q179-N235 PolarHBondContact NE2-OD1 2.98Å; Q179-N235 VanDerWaalsContact NE2-OD1 3.13Å; S233-N235 VanDerWaalsContact C-N 3.26Å; S233-N235 PolarHBondContact O-N 3.44Å; S233-N235 PolarHBondContact OG-N 2.7Å; N235-I237 PolarHBondContact O-N 2.84Å
236L78.7Confident79.8Confident45 Ų4533.2 Ų33.224%0.23619%0.188CC..THydrogen-bonded Turntrans-69.1-13.4-177.7-64.2174.4000114V54 A238 Q239 E240V54-L236 HydrophobicContact CG1-CD1 3.92Å; V54-L236 HydrophobicContact CG2-CD1 4.19Å; L236-A238 VanDerWaalsContact C-N 3.3Å; L236-A238 PolarHBondContact O-N 3.05Å; L236-Q239 PolarHBondContact O-N 3.28Å; L236-E240 WeakPolarHBondContact O-CB 3.43Å; L236-E240 PolarHBondContact O-N 2.88Å
237I83.4Confident77.1Confident2 Ų240.2 Ų40.21%0.0123%0.227CC..Hα-helixtrans-62.2-32.4-168.2-159.156000114T103 Y186 N235 T241T103-I237 WeakPolarHBondContact OG1-CD1 3.45Å; Y186-I237 HydrophobicContact CD2-CG1 4.33Å; Y186-I237 HydrophobicContact CD2-CG2 3.56Å; Y186-I237 HydrophobicContact CE2-CG2 3.4Å; Y186-I237 VanDerWaalsContact CE2-CG2 3.4Å; Y186-I237 HydrophobicContact CG-CG2 4.32Å; N235-I237 PolarHBondContact O-N 2.84Å; I237-T241 HydrophobicContact CD1-CG2 4.09Å; I237-T241 HydrophobicContact CG1-CG2 4.19Å; I237-T241 WeakPolarHBondContact O-CB 3.36Å; I237-T241 WeakPolarHBondContact O-CG2 3.35Å; I237-T241 PolarHBondContact O-N 2.86Å; I237-T241 PolarHBondContact O-OG1 3.24Å
238A75.9Confident74.3Confident40 Ų4044.6 Ų44.633%0.33125%0.254SS..Hα-helixtrans-71.3-41.7-176.100000111.2Y186 L236 T241 C242Y186-A238 HydrophobicContact CD1-CB 4.49Å; Y186-A238 HydrophobicContact CE1-CB 3.9Å; L236-A238 VanDerWaalsContact C-N 3.3Å; L236-A238 PolarHBondContact O-N 3.05Å; A238-T241 PolarHBondContact O-OG1 2.87Å; A238-C242 PolarHBondContact O-N 3.11Å
239Q72.6Confident71.4Confident69 Ų6953.8 Ų53.832%0.32229%0.294SS..Hα-helixtrans-70.5-46.3174.6-167.9172.214.200110.7L44 L236 T241 C242 C243L44-Q239 VanDerWaalsContact CD2-CD 3.45Å; L44-Q239 HydrophobicContact CD2-CG 4.05Å; L236-Q239 PolarHBondContact O-N 3.28Å; Q239-T241 PolarHBondContact O-N 2.85Å; Q239-C242 WeakPolarHBondContact O-CB 3.41Å; Q239-C242 PolarHBondContact O-N 2.94Å; Q239-C242 VanDerWaalsContact O-N 3.08Å; Q239-C243 PolarHBondContact O-N 2.67Å; Q239-C243 VanDerWaalsContact O-N 3.1Å; Q239-C243 PolarHBondContact O-SG 3.47Å
240E79.9Confident68.6Low8 Ų854.2 Ų54.24%0.03730%0.3CS..Hα-helixtrans-59.4-42.9177.8173.165.9-135.600112.5T103 K173 Q227 Y231 L236 C242T103-E240 HydrophobicContact CG2-CG 3.86Å; T103-E240 WeakPolarHBondContact OG1-CG 3.25Å; K173-E240 WeakPolarHBondContact CD-O 3.28Å; K173-E240 WeakPolarHBondContact CE-O 3.38Å; K173-E240 WeakPolarHBondContact CE-OE1 3.3Å; K173-E240 PolarHBondContact NZ-O 3.02Å; K173-E240 IonicContact NZ-OE1 3.34Å; K173-E240 PolarHBondContact NZ-OE1 2.85Å; Q227-E240 PolarHBondContact NE2-OE1 3.39Å; Y231-E240 HydrophobicContact CE2-CG 4.16Å; Y231-E240 PolarHBondContact OH-OE1 2.84Å; Y231-E240 PolarHBondContact OH-OE2 3Å; L236-E240 WeakPolarHBondContact O-CB 3.43Å; L236-E240 PolarHBondContact O-N 2.88Å; E240-C242 VanDerWaalsContact C-N 3.25Å; E240-C242 PolarHBondContact O-N 3.01Å
241T79.6Confident65.7Low0 Ų059.8 Ų59.80%034%0.336CS..Hα-helixtrans-74.6-10.417752.70000114.5C189 I237 A238 Q239C189-T241 PolarHBondContact N-O 3.11Å; I237-T241 HydrophobicContact CD1-CG2 4.09Å; I237-T241 HydrophobicContact CG1-CG2 4.19Å; I237-T241 WeakPolarHBondContact O-CB 3.36Å; I237-T241 WeakPolarHBondContact O-CG2 3.35Å; I237-T241 PolarHBondContact O-N 2.86Å; I237-T241 PolarHBondContact O-OG1 3.24Å; A238-T241 PolarHBondContact O-OG1 2.87Å; Q239-T241 PolarHBondContact O-N 2.85Å
242C76.3Confident62.8Low32 Ų3266 Ų6622%0.21637%0.365CS..Hα-helixtrans-87.5-39.3170.8-88.60000113.3C189 A238 Q239 E240C189-C242 WeakPolarHBondContact CA-SG 3.31Å; C189-C242 HydrophobicContact CB-CB 4.29Å; C189-C242 WeakPolarHBondContact CB-SG 3.37Å; C189-C242 WeakPolarHBondContact SG-CA 3.26Å; C189-C242 WeakPolarHBondContact SG-CB 3.44Å; C189-C242 CovalentContact SG-SG 2.04Å; C189-C242 PolarHBondContact SG-SG 3.36Å; A238-C242 PolarHBondContact O-N 3.11Å; Q239-C242 WeakPolarHBondContact O-CB 3.41Å; Q239-C242 PolarHBondContact O-N 2.94Å; Q239-C242 VanDerWaalsContact O-N 3.08Å; E240-C242 VanDerWaalsContact C-N 3.25Å; E240-C242 PolarHBondContact O-N 3.01Å
243C64.5Low60Low12 Ų1273.5 Ų73.58%0.08140%0.398CS..THydrogen-bonded Turntrans-76.6137.8-173.3-55.20000112K173 Q239 C250K173-C243 PolarHBondContact NZ-O 2.72Å; Q239-C243 PolarHBondContact O-N 2.67Å; Q239-C243 VanDerWaalsContact O-N 3.1Å; Q239-C243 PolarHBondContact O-SG 3.47Å; C243-C250 WeakPolarHBondContact CA-SG 3.43Å; C243-C250 WeakPolarHBondContact CB-SG 3.23Å; C243-C250 WeakPolarHBondContact SG-CB 3.39Å; C243-C250 CovalentContact SG-SG 2.04Å; C243-C250 PolarHBondContact SG-SG 2.86Å
244E61.6Low57.2Low69 Ų6979.4 Ų79.432%0.32243%0.427SS..THydrogen-bonded Turntrans86.323.2179.9-52.1-168127.300120.1Q43 K74 K173Q43-E244 PolarHBondContact NE2-OE1 2.8Å; Q43-E244 PolarHBondContact NE2-OE2 2.93Å; Q43-E244 VanDerWaalsContact NE2-OE2 3.16Å; K74-E244 PolarHBondContact NZ-O 3.34Å; K173-E244 IonicContact NZ-OE2 2.9Å
245I51.7Low54.4Low102 Ų10282.9 Ų82.952%0.52346%0.462SS..SBendtrans-91.1-22.3165-57.3-175000111.9D188D188-I245 HydrophobicContact CB-CD1 3.59Å
246S40Very low51.8Low73 Ų7388 Ų8851%0.5148%0.48SS..SBendtrans-154.8163.3168.453.10000111.1T248S246-T248 PolarHBondContact O-N 2.87Å; S246-T248 PolarHBondContact OG-OG1 2.84Å
247D35.4Very low49.4Very low181 Ų18189 Ų8997%0.96850%0.501SS*.SBendtrans-72.730.6-177.9-56.8-66.7000114.9
248T32.5Very low46.8Very low101 Ų10196.8 Ų96.862%0.6254%0.542SS*.SBendtrans-116.4129.9-176.245.10000110.3S246S246-T248 PolarHBondContact O-N 2.87Å; S246-T248 PolarHBondContact OG-OG1 2.84Å
249K32.8Very low44.5Very low193 Ų193103.2 Ų103.284%0.83957%0.569SS**PPolyproline II helixtrans-51.5138.7-178.2-78.9-169.1171.7-167.60112.1
250C34.3Very low42.4Very low35 Ų35104.3 Ų104.324%0.23659%0.591CS.*PPolyproline II helixtrans-65.6134.5175-56.30000110C243C243-C250 WeakPolarHBondContact CA-SG 3.43Å; C243-C250 WeakPolarHBondContact CB-SG 3.23Å; C243-C250 WeakPolarHBondContact SG-CB 3.39Å; C243-C250 CovalentContact SG-SG 2.04Å; C243-C250 PolarHBondContact SG-SG 2.86Å
251P34.4Very low39.9Very low117 Ų117109.4 Ų109.476%0.7663%0.627SS**PPolyproline II helixtrans-72.6135.1-177.229.4-34.4000111.2
252E32.4Very low37.4Very low132 Ų132114.7 Ų114.762%0.61766%0.664SS**PPolyproline II helixtrans-76.3147.4174.9-62.5178.3152.500110.7
253Q32.2Very low35Very low179 Ų179118.1 Ų118.184%0.83669%0.688SS**  trans-123.1121.1167.9-76.1-167.7-23.800109.3
254D29.7Very low33.1Very low166 Ų166124 Ų12489%0.88872%0.723SS**PPolyproline II helixtrans-60.1139.9167.2-87.8-52.5000110.8
255G31.4Very low31.3Very low74 Ų74126.9 Ų126.976%0.76375%0.746SS**PPolyproline II helixtrans-71.6137.3-164.900000114.7
256F29.1Very low30Very low218 Ų218125.7 Ų125.796%0.95675%0.751SS**PPolyproline II helixtrans-85.7125.1161.3-97.5-96.4000110.5
257G27.4Very low29.2Very low66 Ų66131 Ų13168%0.6877%0.768SS**  trans-82.2175.4-168.100000116.1
258N28.8Very low28.7Very low165 Ų165126.7 Ų126.788%0.88276%0.757SS**PPolyproline II helixtrans-56135-179.1-54.2-52000113
259I27.3Very low28.5Very low175 Ų175127 Ų12790%0.89776%0.763SS**PPolyproline II helixtrans-93.9119.8153.2-63.1178.9000106.6
260A29Very low28.2Very low93 Ų93126.4 Ų126.477%0.76976%0.76SS**PPolyproline II helixtrans-85.8146.3-170.800000113.3
261S26.7Very low27.8Very low114 Ų114131.6 Ų131.680%0.79778%0.783SS**PPolyproline II helixtrans-95.1131.815155.40000109.8
262S27.7Very low27.3Very low111 Ų111130.9 Ų130.978%0.77678%0.781SS**PPolyproline II helixtrans-52.7153.4166.945.30000112.7
263S25.7Very low26.9Very low104 Ų104128.6 Ų128.673%0.72778%0.779SS**  cis-172.81590.839.90000110.5
264V24.9Very low26.6Very low136 Ų136130.6 Ų130.682%0.82478%0.781SS**  trans174.8152.4130.31490000110.8
265T23.3Very low26.4Very low130 Ų130130.8 Ų130.880%0.79878%0.781SS**  trans-59.8161.7178.8-0.70000113.9
266A25Very low27Very low76 Ų76133 Ų13363%0.62878%0.781SS**  cis-157.5176.813.600000114.3
267H24Very low26.8Very low186 Ų186127.1 Ų127.186%0.86177%0.773SS**  trans14.1137.5152.8-59-58.6000120.6
268A25.4Very low26.8Very low89 Ų89131.5 Ų131.574%0.73677%0.774SS**  cis-159-171.2-0.400000108
269S28Very low26.7Very low107 Ų107132.4 Ų132.475%0.74877%0.773SS**  cis-146.8163.718.5-80.20000109.2
270K25.8Very low26.7Very low181 Ų181130.5 Ų130.579%0.78776%0.76SS**  49.2126.970.9-94.3-166.4177.2-177.20114.9
271M24.9Very low26.6Very low145 Ų145134.8 Ų134.871%0.71477%0.769SS**  cis-168.4151.53.6-158.2165.3171.300112.6
272S24Very low26.5Very low102 Ų102136.5 Ų136.571%0.71376%0.762SS**  trans67.3156.2152.1-840000119.7
273S24Very low26.5Very low83 Ų83137.8 Ų137.858%0.5876%0.76SS**  cis-171.8167.2-4.6390000113.6
274Y26Very low26.5Very low222 Ų222138.7 Ų138.787%0.87175%0.753SS**  trans98.6153.2160.3-62.8-67000119.9
275L25.5Very low26.5Very low170 Ų170138.7 Ų138.789%0.8976%0.757SS**  trans-139.4169.7-159.6-85.9173.3000111.2
276P45.1Very low26.7Very low119 Ų119139.2 Ų139.277%0.77375%0.751SS**  trans-110.1178-152.542.1-38.3000116.7
277A25.1Very low26.7Very low95 Ų95141.8 Ų141.879%0.78576%0.763SS**  trans-130.5131.6152.800000107.4
278K27.7Very low26.9Very low158 Ų158139.4 Ų139.469%0.68776%0.755SS**  cis90.1109.942.3-165.7-160.9-176.3-161.50113E280K278-E280 WeakPolarHBondContact CE-OE2 3.48Å; K278-E280 IonicContact NZ-OE2 2.92Å; K278-E280 PolarHBondContact NZ-OE2 2.89Å
279Q25.1Very low27.6Very low185 Ų185140.5 Ų140.586%0.86476%0.755SS**  trans-155143.9140.4-158.474.811.200108.8
280E28.4Very low27.7Very low135 Ų135143.3 Ų143.363%0.63176%0.761SS**  trans-97.9154.7178.6-63.7152.370.100111K278K278-E280 WeakPolarHBondContact CE-OE2 3.48Å; K278-E280 IonicContact NZ-OE2 2.92Å; K278-E280 PolarHBondContact NZ-OE2 2.89Å
281L26.1Very low28.1Very low182 Ų182143.9 Ų143.995%0.95376%0.764SS**  trans-142159.5139.3-143.673.9000110
282K25.3Very low28.9Very low150 Ų150140.1 Ų140.165%0.65276%0.762SS**  trans-142.7162.8-154-173-170.1168-167.20110.5
283D28Very low29.4Very low139 Ų139144.6 Ų144.674%0.74377%0.771SS**  trans120.892.3163.5-63.7-12000110.6
284Q24.9Very low30.1Very low123 Ų123145.3 Ų145.358%0.57578%0.782SS**  78.788.254-165.4176.5-11.200114
285C26.2Very low31.1Very low135 Ų135138 Ų13891%0.91277%0.774SS**  trans-136.8141.5134.2-96.70000109.1
286Q27.1Very low31.7Very low141 Ų141139.4 Ų139.466%0.65977%0.774SS**PPolyproline II helixtrans-103137.8-166.9-68.1149.1-92.900111.4
287C24.8Very low31.8Very low131 Ų131139.5 Ų139.589%0.88578%0.775SS**PPolyproline II helixtrans-101122.7140.8-79.40000107.2
288I28.5Very low32.7Very low135 Ų135138.2 Ų138.269%0.69277%0.771SS**PPolyproline II helixtrans-70.5133.2-179.6-67.7171.2000108.2N290I288-N290 PolarHBondContact O-N 2.92Å
289P38.9Very low33.5Very low113 Ų113135.1 Ų135.173%0.73477%0.774SS**PPolyproline II helixtrans-64.4124.2171.627.2-33.3000108.7K291P289-K291 PolarHBondContact O-N 2.77Å
290N30.9Very low34.9Very low165 Ų165132.4 Ų132.488%0.88277%0.773SS**  trans-68.983.7162.6-90.5-23.7000108.4I288 G292I288-N290 PolarHBondContact O-N 2.92Å; N290-G292 PolarHBondContact O-N 3.01Å
291K34.5Very low35.6Very low194 Ų194129.4 Ų129.484%0.84378%0.778SS**  trans14.897.8144.6-174.7-179.6-177.2-179.40112.2P289P289-K291 PolarHBondContact O-N 2.77Å
292G41.5Very low36.6Very low65 Ų65125.6 Ų125.667%0.6777%0.767SS**PPolyproline II helixtrans-51.3145.1173.200000110.5N290 A294N290-G292 PolarHBondContact O-N 3.01Å; G292-A294 PolarHBondContact O-N 2.85Å
293E34.2Very low38.3Very low196 Ų196124.4 Ų124.492%0.91677%0.774SS**PPolyproline II helixtrans-53133.7168.2-64-172.2142.300108.2G295E293-G295 PolarHBondContact O-N 2.95Å; E293-G295 VanDerWaalsContact O-N 3.17Å
294A38Very low39.1Very low98 Ų98121.2 Ų121.281%0.8177%0.774SS**PPolyproline II helixtrans-58.5126.6176.600000107.7G292 F296G292-A294 PolarHBondContact O-N 2.85Å; A294-F296 PolarHBondContact O-N 2.7Å
295G47.7Very low40.3Very low68 Ų68123.7 Ų123.770%0.70179%0.786SS**PPolyproline II helixtrans-51.6139.7175.200000109.7E293E293-G295 PolarHBondContact O-N 2.95Å; E293-G295 VanDerWaalsContact O-N 3.17Å
296F38.8Very low41.6Very low200 Ų200126.8 Ų126.888%0.87778%0.784SS**  trans-45.1131.4177.9-72.7-90000109.7A294 G298A294-F296 PolarHBondContact O-N 2.7Å; F296-G298 PolarHBondContact O-N 3.42Å; F296-G298 VanDerWaalsContact O-N 3.14Å
297P46.8Very low42.5Very low122 Ų122123.2 Ų123.279%0.79279%0.785SS**PPolyproline II helixtrans-54.8127.6177.323.6-33000108.1A299P297-A299 PolarHBondContact O-N 2.88Å
298G44.5Very low43.5Very low68 Ų68123.9 Ų123.970%0.70178%0.78SS**PPolyproline II helixtrans-53139.6-174.600000110.8F296F296-G298 PolarHBondContact O-N 3.42Å; F296-G298 VanDerWaalsContact O-N 3.14Å
299A43.3Very low44.7Very low93 Ų93127.1 Ų127.177%0.76979%0.789SS**PPolyproline II helixtrans-51.6132.4173.900000108.9P297 G301P297-A299 PolarHBondContact O-N 2.88Å; A299-G301 PolarHBondContact O-N 2.69Å
300P54Low44.9Very low128 Ų128124.7 Ų124.783%0.83178%0.784SS**PPolyproline II helixtrans-51.8128.8179.4-27.735000110.1S302P300-S302 PolarHBondContact O-N 3.26Å
301G43.2Very low45.3Very low72 Ų72125.6 Ų125.674%0.74278%0.783SS**PPolyproline II helixtrans-54.8128.5-179.900000109.7A299A299-G301 PolarHBondContact O-N 2.69Å
302S47.5Very low46.1Very low102 Ų102122.5 Ų122.571%0.71378%0.783SS**PPolyproline II helixtrans-52.2136.5172.154.50000109P300 G304P300-S302 PolarHBondContact O-N 3.26Å; S302-G304 PolarHBondContact O-N 2.76Å
303P61.1Low46Very low124 Ų124122.7 Ų122.781%0.80579%0.785SS**PPolyproline II helixtrans-48.4129.7175.7-28.435.3000110.5Q305P303-Q305 PolarHBondContact O-N 2.04Å
304G45.2Very low47Very low73 Ų73122.4 Ų122.475%0.75378%0.783SS**PPolyproline II helixtrans-52.4130.3-171.200000111.2S302 K306S302-G304 PolarHBondContact O-N 2.76Å; G304-K306 PolarHBondContact O-N 3.41Å
305Q49.2Very low47Very low174 Ų174126 Ų12681%0.81379%0.789SS**PPolyproline II helixtrans-56.4126177.6-73.5-176.5-7.400108.8P303 G307P303-Q305 PolarHBondContact O-N 2.04Å; Q305-G307 PolarHBondContact O-N 3.1Å
306K53.8Low46.3Very low201 Ų201126.1 Ų126.187%0.87479%0.79SS**  trans-61.3108.3172.1178.1-178.3178.8-179.70106.7G304G304-K306 PolarHBondContact O-N 3.41Å
307G46.3Very low46.8Very low66 Ų66124.8 Ų124.868%0.6879%0.791SS**  trans-48.8139.5-165.800000113.5Q305 K309Q305-G307 PolarHBondContact O-N 3.1Å; G307-K309 PolarHBondContact O-N 3.08Å
308D45.8Very low46.4Very low145 Ų145128.3 Ų128.378%0.77580%0.796SS**  trans-55.6130.8-171.8-63.7-69.2000111.8G310D308-G310 PolarHBondContact O-N 3.28Å
309K53.1Low46Very low203 Ų203128.3 Ų128.388%0.88380%0.797SS**  trans-69108.2172.5-176.4-173.5175.8-171.10106.9G307G307-K309 PolarHBondContact O-N 3.08Å
310G42.8Very low46.3Very low61 Ų61129 Ų12963%0.62980%0.802SS**  trans-46.9143.8-172.300000114.3D308D308-G310 PolarHBondContact O-N 3.28Å
311E39.3Very low45.9Very low184 Ų184128.9 Ų128.986%0.8680%0.802SS**  trans-56.2126.2-174.7-60.9179.2139.300111.6G313E311-G313 PolarHBondContact O-N 3.33Å
312P52.7Low45.5Very low130 Ų130128.7 Ų128.784%0.84480%0.799SS**  trans-64.3105.8160-15.530.7000107.7
313G39.8Very low45.6Very low69 Ų69132.4 Ų132.471%0.71181%0.81SS**  trans-60.8156.2-172.900000114.2E311 N315E311-G313 PolarHBondContact O-N 3.33Å; G313-N315 PolarHBondContact O-N 3.35Å
314E54.8Low44.6Very low190 Ų190132.5 Ų132.589%0.88881%0.811SS**  trans-55129.3-176.1-65.1-175102.300113.6
315N37.2Very low44.8Very low173 Ų173132 Ų13293%0.92581%0.806SS**  trans-173.6133.7146.4-92.7-59.4000106.9G313G313-N315 PolarHBondContact O-N 3.35Å
316G33.2Very low44.4Very low70 Ų70132.9 Ų132.972%0.72281%0.81SS**  cis-174167.4-5.500000109.4
317L50.4Low43.6Very low172 Ų172130.6 Ų130.690%0.90180%0.8SS**  trans-49137.8-179.8-68.6162000113.3
318H37.6Very low43.7Very low196 Ų196130.1 Ų130.191%0.90780%0.795SS**  trans-142.2131.3139.8-105.348.3000109.4
319G35.7Very low43.3Very low69 Ų69130.2 Ų130.271%0.71179%0.791SS**  trans-87.9176.8-17700000113.6P321G319-P321 WeakPolarHBondContact O-CD 3.48Å
320A49.4Very low42.6Very low106 Ų106128.1 Ų128.188%0.87679%0.785SS**  trans-68.9136.4-173.200000114.4
321P46.3Very low42.7Very low127 Ų127127.7 Ų127.783%0.82578%0.78SS**  -107.2156.7123-322.6000109.4G319G319-P321 WeakPolarHBondContact O-CD 3.48Å
322G35.3Very low43.2Very low67 Ų67128.1 Ų128.169%0.69178%0.779SS**  cis157.6121.20.800000107.6P324G322-P324 WeakPolarHBondContact O-CD 3.49Å
323L48.6Very low42.5Very low181 Ų181129.6 Ų129.695%0.94878%0.775SS**  trans-66.1132.4-170.8-66.7167.1000111.8
324P40.3Very low43.1Very low126 Ų126130.2 Ų130.282%0.81878%0.781SS**  -126.6140.6118.55.615.1000111.5G322G322-P324 WeakPolarHBondContact O-CD 3.49Å
325G49.2Very low42.5Very low62 Ų62124.8 Ų124.864%0.63976%0.764SS**  trans-122.5-157.2168.900000110.9
326Q41.1Very low42.7Very low193 Ų193125.5 Ų125.590%0.90276%0.759SS**  trans70.5147-167.3-47.9-175.416.900112
327K37.5Very low43.5Very low152 Ų152125.5 Ų125.566%0.66176%0.759SS**  cis-125.1159.412.6-146.1-174.7-178.2-128.80107.9E329K327-E329 WeakPolarHBondContact CE-OE1 3.29Å; K327-E329 IonicContact NZ-OE1 3.44Å; K327-E329 PolarHBondContact NZ-OE1 3Å; K327-E329 IonicContact NZ-OE2 3.89Å; K327-E329 PolarHBondContact NZ-OE2 2.85Å
328G46.8Very low43.5Very low57 Ų57125.4 Ų125.459%0.58875%0.754SS**  55117.557.700000109.1
329E37.4Very low43.7Very low146 Ų146122.4 Ų122.468%0.68275%0.75SS**  cis-136.3-177.736.8-92.593.1-120.800109.8K327K327-E329 WeakPolarHBondContact CE-OE1 3.29Å; K327-E329 IonicContact NZ-OE1 3.44Å; K327-E329 PolarHBondContact NZ-OE1 3Å; K327-E329 IonicContact NZ-OE2 3.89Å; K327-E329 PolarHBondContact NZ-OE2 2.85Å
330Q39.6Very low44.3Very low160 Ų160122.2 Ų122.275%0.74875%0.748SS**  cis-142.5118.121.2-173.2173.3-10.600112.3F332Q330-F332 PolarHBondContact NE2-O 2.81Å
331G44.9Very low44.5Very low51 Ų51126.6 Ų126.653%0.52675%0.75SS.*  trans-84.4156.114500000109
332F49.4Very low44.3Very low193 Ų193130.8 Ų130.885%0.84676%0.755SS**  trans68113.4173-38.7-76.7000115.6Q330Q330-F332 PolarHBondContact NE2-O 2.81Å
333E38.4Very low44.5Very low162 Ų162130.6 Ų130.676%0.75775%0.753SS**  -121.4140.594.5-170.1166.9-171.300108.9S335E333-S335 WeakPolarHBondContact OE1-CB 3.29Å; E333-S335 PolarHBondContact OE1-OG 2.76Å
334G52.3Low44.8Very low82 Ų82131.5 Ų131.585%0.84575%0.752SS**  trans-129.586.4170.800000108.1
335S41.8Very low44.9Very low75 Ų75135.1 Ų135.152%0.52476%0.758SS.*  trans-129.8116.8-172.360.30000112.4E333E333-S335 WeakPolarHBondContact OE1-CB 3.29Å; E333-S335 PolarHBondContact OE1-OG 2.76Å
336K41.4Very low44.7Very low188 Ų188135.2 Ų135.282%0.81776%0.76SS**  trans44.297.1143.2-164.5-177.1-176.1-173.10117.4
337G50.9Low45.2Very low70 Ų70135.5 Ų135.572%0.72276%0.761SS**  trans-77.6147159.200000112.1
338E48.6Very low45.3Very low170 Ų170138.4 Ų138.479%0.79477%0.774SS**  trans-172.9155.8149.3-111.1172171.600111.3
339T42.5Very low44.9Very low134 Ų134138.8 Ų138.882%0.82278%0.777SS**  trans68.997.3160.8-460000120.7
340G48.1Very low45.5Very low65 Ų65139.6 Ų139.667%0.6779%0.787SS**  72103.710200000122.9
341E53.7Low45.9Very low197 Ų197138.2 Ų138.292%0.92179%0.791SS**  trans64.6162141.4-65.8-159.5127.400123.5
342K42.9Very low45.4Very low215 Ų215139.3 Ų139.394%0.93580%0.802SS**  trans80.9133.7162.6-156.7176.4-174.3176.80117.5
343G39.4Very low45.8Very low63 Ų63139 Ų13965%0.64981%0.808SS**  cis173.1142.7-10.500000113.8
344E54.3Low46Very low200 Ų200136.4 Ų136.494%0.93582%0.815SS**  trans38.3146.7154.8-58.5-174.2145.600124.6
345Q43.5Very low45.2Very low202 Ų202136 Ų13694%0.94481%0.81SS**  152.7136.7129.6-170.716933.700111.7
346G44.2Very low45.4Very low65 Ų65140.3 Ų140.367%0.6783%0.827SS**  cis-175.8135.8-9.400000114.5
347E51.5Low45.1Very low198 Ų198138.9 Ų138.993%0.92583%0.828SS**  trans37.5137145.5-54.1-164.8126.300125.4
348K40.5Very low44.5Very low214 Ų214139.2 Ų139.293%0.9383%0.832SS**  174134114.6-174.1170-170.3172.10110.9
349G36.4Very low44Very low64 Ų64139.3 Ų139.366%0.6683%0.832SS**  cis175.4148.1-8.600000110.8
350D51.4Low43.8Very low164 Ų164140.5 Ų140.588%0.87783%0.834SS**  trans-79.7152.9-167.9-56.2-78.4000116
351P47.9Very low43.1Very low131 Ų131140.9 Ų140.985%0.85184%0.838SS**  -143.9159.7107.538-25000113.9
352G34.7Very low43Very low73 Ų73140.1 Ų140.175%0.75384%0.839SS**  cis-178.3172.1-0.600000110.8
353L57.1Low43Very low186 Ų186140.2 Ų140.297%0.97484%0.839SS**  trans-114.8127.6-167.8-76.5169000115.7
354A42.8Very low43.1Very low108 Ų108140.6 Ų140.689%0.89384%0.843SS**  trans-167.5150.7151.500000109.1
355G35.2Very low43Very low73 Ų73138.9 Ų138.975%0.75384%0.84SS**  cis-152.4-159.52.600000112.6
356L46.6Very low42.7Very low167 Ų167138 Ų13887%0.87484%0.841SS**  trans-121.4166.1-159.6-72.6168.4000116.1
357N35.2Very low42.8Very low158 Ų158137.6 Ų137.685%0.84584%0.837SS**  trans81.1143.1154.7-75.110.1000122
358G37Very low42.8Very low77 Ų77135 Ų13579%0.79484%0.837SS**  trans166.1108.2171.500000110.5
359E39.8Very low43.1Very low171 Ų171136.8 Ų136.880%0.79984%0.838SS**  trans-103.9161.7-173-59.6-177.5129.100114
360N37Very low43.4Very low160 Ų160136.8 Ų136.886%0.85684%0.838SS**  trans70.1155.7167.2-51.7-61.9000116.1
361G33.1Very low42.9Very low73 Ų73137.4 Ų137.475%0.75384%0.84SS**  cis-168.6-179.70.500000112.9
362L52.3Low43.6Very low180 Ų180137 Ų13794%0.94284%0.838SS**  trans-79.2137.5-165.7-65.4162.7000116.5
363K42.7Very low44Very low217 Ų217136.6 Ų136.694%0.94383%0.834SS**  trans-173136.3144.8-119.4173.4179.81750111.2
364G42.1Very low43.8Very low71 Ų71134.6 Ų134.673%0.73283%0.832SS**  cis172.8145.1-9.900000110.9
365D51.2Low44.5Very low165 Ų165139.2 Ų139.288%0.88283%0.832SS**  trans-73.5131.6-176.4-61.1-71.3000113.6
366L38.8Very low45.1Very low183 Ų183139.3 Ų139.396%0.95883%0.833SS**  trans178.2128.9162.1-102.1155.6000108.3
367G44.8Very low45.4Very low56 Ų56141.1 Ų141.158%0.57784%0.837SS**  cis-166175.4-6.700000109.2R369G367-R369 PolarHBondContact O-N 3.24Å
368P52.8Low46.3Very low145 Ų145143.5 Ų143.594%0.94284%0.839SS**  trans-69.9121.4-172.728-34.4000112.3
369R47.4Very low46.8Very low250 Ų250142.9 Ų142.994%0.94383%0.833SS**  trans-115.2133.5172.3-163.7166.3-177.2156.41110.5G367G367-R369 PolarHBondContact O-N 3.24Å
370G40.9Very low46.8Very low64 Ų64142.9 Ų142.966%0.6684%0.839SS**PPolyproline II helixtrans-68.3163.1-159.700000116.9P372G370-P372 WeakPolarHBondContact O-CD 3.29Å
371L42.8Very low47.7Very low177 Ų177142 Ų14293%0.92784%0.839SS**PPolyproline II helixtrans-63.8121.8179.4-64.9169.3000112.1
372P61.2Low48.4Very low122 Ų122141.5 Ų141.579%0.79283%0.834SS**PPolyproline II helixtrans-75.4153.4164.9-13.631.3000111.4G370G370-P372 WeakPolarHBondContact O-CD 3.29Å
373G43.5Very low48.4Very low65 Ų65139 Ų13967%0.6783%0.829SS**PPolyproline II helixtrans-71.6169.8-172.400000116.2
374P52.6Low49.3Very low144 Ų144134.7 Ų134.794%0.93582%0.823SS**PPolyproline II helixtrans-65.3143-175.927.6-35.3000112.6
375K57.3Low49.2Very low206 Ų206134.1 Ų134.190%0.89682%0.817SS**  trans-121.2136.9178.1-172175.6-179.7179.60109.4
376G47.5Very low48.8Very low74 Ų74129.2 Ų129.276%0.76379%0.794SS**  trans-68.3166.5-166.500000116.5
377E53.8Low49.3Very low206 Ų206126.9 Ų126.996%0.96379%0.79SS**  trans-71153.8-172.8-58.9174.7147.300113.5
378K53.8Low48.7Very low207 Ų207128.9 Ų128.990%0.980%0.801SS**  trans-141.7126.1167-173.5-179.6179.1-174.30108.3
379G48.1Very low48.4Very low65 Ų65130 Ų13067%0.6780%0.798SS**  trans-81179.8-16200000117.6
380D39.8Very low48.1Very low170 Ų170124.3 Ų124.391%0.90979%0.794SS**  trans-72.5165-165.9-51.9-77.5000115.7
381T55.6Low48Very low142 Ų142124.8 Ų124.887%0.87180%0.799SS**  trans-129.2132.8174-60.60000109.8
382G47.8Very low47.7Very low62 Ų62121.5 Ų121.564%0.63979%0.791SS**PPolyproline II helixtrans-80.6164.5-168.900000116.3
383P52.8Low46.4Very low129 Ų129124 Ų12484%0.83880%0.796SS**PPolyproline II helixtrans-79.4141.4-174.331.1-35.4000114.4
384P60.1Low46.1Very low125 Ų125124.2 Ų124.281%0.81280%0.798SS**PPolyproline II helixtrans-73.2169.5172.4-20.634.4000116
385G40.5Very low45.3Very low59 Ų59125.1 Ų125.161%0.60879%0.794SS**  trans-95.1-170.9-177.200000116.8
386P44Very low44.2Very low62 Ų62124.3 Ų124.340%0.40379%0.793SS.*  trans-102.4148.4-159.137.8-37000116.9T779P386-T779 HydrophobicContact CB-CG2 4.42Å
387P47.8Very low44.5Very low134 Ų134123.7 Ų123.787%0.8779%0.786SS**  trans-77.3172.5164-16.632.8000114.7
388A33.7Very low43.6Very low98 Ų98120.4 Ų120.481%0.8178%0.783SS**  trans-117.5-179.8-170.200000115.1
389L45Very low43.1Very low169 Ų169120 Ų12089%0.88578%0.784SS**  trans-51.6150.1-179.7-65.2158.9000114.2
390P41.2Very low43.1Very low131 Ų131119.9 Ų119.985%0.85178%0.784SS**  -141.717910240-28.5000113.9
391G38.8Very low42.9Very low74 Ų74117.8 Ų117.876%0.76378%0.779SS**  trans-171.2155.6167.600000114
392S37Very low42.5Very low108 Ų108116.9 Ų116.976%0.75578%0.776SS**  trans-172.1144.6165.251.80000111.4
393L34.8Very low42.6Very low173 Ų173117.6 Ų117.691%0.90678%0.783SS**  trans37.499.6153.3-62.5158.3000116.6
394G36.1Very low41.8Very low70 Ų70121.5 Ų121.572%0.72279%0.787SS**  112.2-179.471.800000109.4
395I36.3Very low41.1Very low163 Ų163124.5 Ų124.584%0.83679%0.79SS**  cis-165.6152.3-21.831.9166.8000105
396Q34.7Very low41.6Very low190 Ų190125.6 Ų125.689%0.88880%0.801SS**  cis-142.7-174.24.3-165.4165.9-93.200108.9
397G53.2Low41.2Very low60 Ų60132 Ų13262%0.61983%0.826SS**  trans-127.2172.9-177.100000116.7
398P34.2Very low41.2Very low137 Ų137137 Ų13789%0.8983%0.827SS**  trans-93.4163178.537.2-34.7000114.1
399Q44.3Very low41.8Very low198 Ų198135.5 Ų135.593%0.92582%0.822SS**  trans-92.9150.6-174.5-171.9174.22.400113
400G47.8Very low41.7Very low64 Ų64139.5 Ų139.566%0.6683%0.825SS**  trans-109.2163.5-178.100000115.5
401P35.8Very low42.1Very low125 Ų125144.7 Ų144.781%0.81283%0.828SS**  trans-101.1179.717445.4-38.3000110.8
402P45.7Very low42.5Very low123 Ų123144.3 Ų144.380%0.79982%0.823SS**  -106.9172.8-101.6-024000113.9
403G51.4Low43Very low78 Ų78149.3 Ų149.380%0.80483%0.831SS**  trans-64.4162.3178.200000114.3
404K36.3Very low44.3Very low210 Ų210147.7 Ų147.791%0.91383%0.829SS**  trans-113.6136.8166-66.8-174.3178.8-177.80108.8
405E45.3Very low45.1Very low189 Ų189147 Ų14788%0.88382%0.822SS**PPolyproline II helixtrans-63153.2-178.2-62.3170.1110.600112.2Q407E405-Q407 PolarHBondContact O-N 3.16Å
406G50.5Low46.3Very low81 Ų81145.3 Ų145.384%0.83582%0.821SS**PPolyproline II helixtrans-68.1118.8176.300000111.5R408G406-R408 PolarHBondContact O-N 3.11Å
407Q35.7Very low47.8Very low197 Ų197142.1 Ų142.192%0.92182%0.818SS**PPolyproline II helixtrans-72.5117.2170.3-73.6-165.7-3.100110.9E405E405-Q407 PolarHBondContact O-N 3.16Å
408R46.6Very low47.9Very low239 Ų239142.7 Ų142.790%0.90282%0.823SS**  trans-12139.2157.5-176.9176.1-70.4165.2-2.8116G406G406-R408 PolarHBondContact O-N 3.11Å
409G46.2Very low49Very low67 Ų67145.8 Ų145.869%0.69182%0.823SS**  trans-51.2154.5178.900000115.2R411G409-R411 PolarHBondContact O-N 3.34Å
410R43.8Very low49.9Very low253 Ų253142.3 Ų142.396%0.95582%0.817SS**  trans-67.4115.2-176.4-72.9-177.4172.5-174.1-2.8111.3G412R410-G412 PolarHBondContact O-N 3.35Å
411R50.1Low50.2Low240 Ų240142.2 Ų142.291%0.90682%0.816SS**PPolyproline II helixtrans-47.2136.5164.7177.4179.8-76.5177.5-5.7110.6G409G409-R411 PolarHBondContact O-N 3.34Å
412G47.2Very low51Low65 Ų65142.1 Ų142.167%0.6782%0.815SS**PPolyproline II helixtrans-57.4154.7179.900000114.1R410 T414R410-G412 PolarHBondContact O-N 3.35Å; G412-T414 PolarHBondContact O-N 2.91Å
413K47.4Very low51.8Low213 Ų213142.3 Ų142.393%0.92682%0.817SS**PPolyproline II helixtrans-68.5128178-66-178.4-180179.80110.4
414T61.4Low51.8Low139 Ų139141.6 Ų141.685%0.85381%0.809SS**PPolyproline II helixtrans-57.9139.5166-46.50000110.1G412G412-T414 PolarHBondContact O-N 2.91Å
415G54.3Low52.4Low56 Ų56137.5 Ų137.558%0.57780%0.804SS**PPolyproline II helixtrans-62.5150174.400000112.1
416P61.3Low53Low127 Ų127134.6 Ų134.683%0.82580%0.802SS**PPolyproline II helixtrans-64.3142.7176.728-34.4000110.6
417P66.4Low52.8Low124 Ų124133.8 Ų133.881%0.80579%0.793SS**PPolyproline II helixtrans-55.8146.4173.2-25.834.9000112.4
418G54.8Low53.3Low71 Ų71130.3 Ų130.373%0.73279%0.788SS**PPolyproline II helixtrans-57.8138.2173.400000111.2
419K55.8Low53.4Low203 Ų203125 Ų12588%0.88378%0.784SS**PPolyproline II helixtrans-60.6131.6176.4-65.1-177-179.7-178.80109.3
420P63.8Low53Low124 Ų124125.5 Ų125.581%0.80579%0.789SS**PPolyproline II helixtrans-54.5143.1170.9-2635.1000111.3
421G53.7Low52.9Low62 Ų62121.6 Ų121.664%0.63979%0.785SS**PPolyproline II helixtrans-62.3149.9174.300000111.5
422P53.9Low52.2Low123 Ų123119.1 Ų119.180%0.79978%0.784SS**PPolyproline II helixtrans-61.1141.1175.727-34.1000110.4
423P61.9Low51.6Low128 Ų128119.9 Ų119.983%0.83179%0.791SS**PPolyproline II helixtrans-56.1141174.5-25.634.9000112
424G50.5Low50.7Low62 Ų62118 Ų11864%0.63979%0.79SS**PPolyproline II helixtrans-62.9150.1174.800000112
425P49Very low49.1Very low124 Ų124119.7 Ų119.781%0.80579%0.788SS**PPolyproline II helixtrans-62.1142.5178.426.6-34.4000111
426P59.4Low48.1Very low129 Ų129124.7 Ų124.784%0.83880%0.796SS**PPolyproline II helixtrans-57.8138.1177.7-25.635000112.7
427G45.2Very low46.6Very low64 Ų64125.1 Ų125.166%0.6680%0.796SS**PPolyproline II helixtrans-67.4150.1174.300000112.4
428P47.1Very low44.7Very low123 Ų123127.5 Ų127.580%0.79980%0.801SS**PPolyproline II helixtrans-66.8150.6178.628.4-34.9000111.9
429P49.2Very low43.5Very low129 Ų129127.8 Ų127.884%0.83881%0.805SS**PPolyproline II helixtrans-60.3137.9179.1-24.234.7000113.4
430G37.2Very low42.2Very low76 Ų76121.5 Ų121.578%0.78480%0.797SS**PPolyproline II helixtrans-75.2128.9175.900000112.6
431I42.1Very low40.5Very low171 Ų171126.5 Ų126.588%0.87780%0.802SS**PPolyproline II helixtrans-71.9136.416845.2173.7000110.8
432Q35.5Very low39.6Very low189 Ų189134.5 Ų134.588%0.88381%0.814SS**PPolyproline II helixtrans-72145.5170.4-74-177.6-25.800110.5
433G33Very low38.7Very low80 Ų80135.6 Ų135.683%0.82581%0.813SS**PPolyproline II helixtrans-75.4148.9-170.600000114.6
434I29Very low37.2Very low175 Ų175137.3 Ų137.390%0.89781%0.808SS**PPolyproline II helixtrans-83.3145.5168.6-59.4175.9000109.1
435H28.7Very low36.4Very low173 Ų173140 Ų14080%0.80181%0.808SS**PPolyproline II helixtrans-80.5168.8-172.5-157.8-93.9000114.2
436Q32.9Very low35.6Very low162 Ų162140.3 Ų140.376%0.75780%0.802SS**PPolyproline II helixtrans-77.7146.4171.8-56.9170-6.700112.8
437T28.6Very low34.3Very low135 Ų135143.4 Ų143.483%0.82880%0.803SS**  trans-173.3135.4145.331.80000106.5
438L28.3Very low33.7Very low174 Ų174143.8 Ų143.891%0.91181%0.807SS**  cis76.9116.926.5-158.582000115.9
439G29.5Very low32.8Very low78 Ų78144 Ų14480%0.80480%0.801SS**  trans102.2126.5160.500000116.4
440G27.6Very low32.1Very low70 Ų70144.1 Ų144.172%0.72279%0.794SS**  trans175.843.6-177.700000118
441Y28.2Very low31.9Very low230 Ų230148.4 Ų148.490%0.90279%0.794SS**  trans-10.5138.1170.8-69-93.4000121.3
442Y34.8Very low31.7Very low230 Ų230147.7 Ų147.790%0.90279%0.787SS**  trans-106.6153.4153.7-95-91.7000111.1
443N34.5Very low31.8Very low145 Ų145146.8 Ų146.878%0.77578%0.783SS**  trans-97.9131.4176.1-96.2-47.2000112
444K30.3Very low32Very low164 Ų164147 Ų14771%0.71378%0.776SS**  trans46.4146.1134.4-82.8175.2146.8-80.80120.9
445D34.5Very low32.2Very low120 Ų120142.2 Ų142.264%0.64277%0.771SS**  cis-155.1173.820.9-118.1-39.7000113.3
446N32.7Very low32.6Very low129 Ų129137.5 Ų137.569%0.6977%0.768SS**  trans80.9123.5159.4-94.2-46.7000122.7
447K32.1Very low32.8Very low195 Ų195137.7 Ų137.785%0.84877%0.774SS**  trans42123.3146.6-58.3172.3-176.1-177.20118.4
448G32.3Very low33Very low72 Ų72140.8 Ų140.874%0.74278%0.776SS**  cis165-166.29.400000107.9
449N28.8Very low33.6Very low128 Ų128135.6 Ų135.668%0.68476%0.764SS**  cis-165.5147.5-11.3-13682.7000108.6
450D33.7Very low33.9Very low130 Ų130139.7 Ų139.770%0.69577%0.768SS**  trans61.3149.6170.7-44.7-52.7000116.7
451E32.2Very low34.3Very low167 Ų167146.3 Ų146.378%0.7878%0.776SS**  cis-150.7151.87.3-147163.5-144.700112.3
452H38.6Very low35.1Very low156 Ų156138.9 Ų138.972%0.72277%0.77SS**  trans-10.1154.4159.2-6091.2000121.3
453E38.4Very low35.1Very low170 Ų170136.8 Ų136.879%0.79477%0.769SS**  cis-166.1-172-21.8-128-144.4112.400106.9
454A36.9Very low35.2Very low84 Ų84135.8 Ų135.869%0.69477%0.768SS**  cis-133.8-142.46.200000109.6
455G32.8Very low35.6Very low75 Ų75131.6 Ų131.677%0.77377%0.771SS**  cis133117.54.900000108.8
456G37.5Very low36.1Very low73 Ų73133.8 Ų133.875%0.75378%0.782SS**  cis135.5126.515.400000106.2
457L36.5Very low36.8Very low166 Ų166133.6 Ų133.687%0.86979%0.788SS**  -152.2137.954-71.9162.4000109
458K33.8Very low37.2Very low200 Ų200127.4 Ų127.487%0.8778%0.78SS**  54.112589.9-163.8-176.2178.6-172.60115
459G39.3Very low37.6Very low65 Ų65134.1 Ų134.167%0.6779%0.789SS**  trans-137.8-172.1173.900000112.9
460D36.8Very low38.4Very low164 Ų164134.2 Ų134.288%0.87780%0.796SS**  trans-126.4150.7-173.2-84-58.8000114
461K35.7Very low38.6Very low209 Ų209131.4 Ų131.491%0.90980%0.798SS**  trans15.8121.5155.7-138.7176.6-174.3-1750119.3
462G44.1Very low39.4Very low75 Ų75128.8 Ų128.877%0.77380%0.798SS**  trans-111.2174171.400000114.6
463E35.7Very low39.2Very low185 Ų185128.5 Ų128.586%0.86481%0.807SS**  trans-139.1149.5173.7-83.2-174.2-179.900112.7
464T37.3Very low39.1Very low124 Ų124123.3 Ų123.376%0.76180%0.799SS**  trans33.397.7152.9-43.10000119.3
465G38.3Very low39.5Very low76 Ų76125.9 Ų125.978%0.78481%0.809SS**PPolyproline II helixtrans-75.9132.3166.900000113.3
466L43.8Very low39.6Very low167 Ų167132.4 Ų132.487%0.87482%0.816SS**PPolyproline II helixtrans-75.8137.6177.2-72.7163.4000111.8
467P47.8Very low39.9Very low124 Ų124132 Ų13281%0.80581%0.811SS**PPolyproline II helixtrans-66.7143.2-178.5-22.934.4000114.8
468G41.6Very low39.7Very low66 Ų66132.7 Ų132.768%0.6881%0.81SS**PPolyproline II helixtrans-77.3156.6175.600000114.5P470G468-P470 WeakPolarHBondContact O-CD 3.48Å
469F40.7Very low40Very low213 Ų213131.3 Ų131.393%0.93480%0.804SS**PPolyproline II helixtrans-65.5124.3-174.3-70.7-88.7000114
470P46Very low39.7Very low129 Ų129131 Ų13184%0.83880%0.802SS**PPolyproline II helixtrans-76.6146.8172.9-1732.5000113.9G468G468-P470 WeakPolarHBondContact O-CD 3.48Å
471G37.6Very low39.6Very low71 Ų71130.6 Ų130.673%0.73279%0.794SS**PPolyproline II helixtrans-96.8120178.700000114.7
472S49Very low40.4Very low112 Ų112126.7 Ų126.778%0.78379%0.79SS**  trans51.7143.9148.562.70000123.2
473V33.4Very low39.7Very low151 Ų151126.9 Ų126.992%0.91579%0.792SS**  trans71.2127.6170.2-164.30000115.7
474G37.3Very low39.8Very low60 Ų60127.1 Ų127.162%0.61979%0.793SS**  cis-170.3151.3-600000111.6
475P44Very low40.7Very low138 Ų138125.7 Ų125.790%0.89679%0.786SS**  trans-85.8132.7-166.132.1-34.7000114
476K36Very low40.4Very low213 Ų213130.8 Ų130.893%0.92679%0.787SS**  trans-131.672159.7-164.1-179.7179.7-179.30112.4
477G43.7Very low40Very low64 Ų64128.4 Ų128.466%0.6678%0.779SS**  trans45138.9146.800000122.6
478Q31.7Very low39.4Very low180 Ų180131.8 Ų131.884%0.84178%0.782SS**  -153.3172.8125.8-115.4168.8107.500112.5
479K39.4Very low39.1Very low171 Ų171131.5 Ų131.574%0.74378%0.779SS**  trans-97.2153.2-175.6178.4-167.5179.6-137.80109.2E481K479-E481 WeakPolarHBondContact CE-OE1 3.26Å; K479-E481 IonicContact NZ-OE1 3.72Å; K479-E481 PolarHBondContact NZ-OE1 3.19Å
480G34.2Very low38.9Very low60 Ų60129.9 Ų129.962%0.61977%0.774SS**  cis158.1-166.5-0.700000110.4
481E35.2Very low38.4Very low154 Ų154132.1 Ų132.172%0.7277%0.771SS**  trans69.2166.7173.7-60.1170.4-159.300115.6K479K479-E481 WeakPolarHBondContact CE-OE1 3.26Å; K479-E481 IonicContact NZ-OE1 3.72Å; K479-E481 PolarHBondContact NZ-OE1 3.19Å
482P51.8Low38.3Very low128 Ų128131.6 Ų131.683%0.83177%0.765SS**  -131.6171.3-55.539-25.8000114
483G29.9Very low37.8Very low79 Ų79132.8 Ų132.881%0.81476%0.762SS**  trans172.4139.9168.100000116.1
484E37.8Very low38.1Very low190 Ų190136.9 Ų136.989%0.88876%0.762SS**  trans-110.2-164.9172.4-38.3177.3119.900109.4
485P56.3Low37.9Very low93 Ų93137.5 Ų137.560%0.60477%0.768SS**  cis-135.5-170.7-19.320.56.1000114.3
486F31.1Very low37.2Very low183 Ų183140.2 Ų140.280%0.80377%0.769SS**  trans90135.9148.2-75.9-60.3000125.3
487T36.4Very low37.6Very low117 Ų117135.8 Ų135.872%0.71876%0.762SS**  trans67.2120.6144.147.50000123.8
488K33.9Very low37.4Very low195 Ų195136.3 Ų136.385%0.84877%0.767SS**  28.6130.6113.2-175.2-169.4179.5-169.30116.8
489G35.9Very low37.8Very low60 Ų60136 Ų13662%0.61977%0.769SS**  cis165-158.2800000109.4
490E35.6Very low37.7Very low179 Ų179135.7 Ų135.784%0.83677%0.774SS**  trans66.9162.9175.6-67.2-172.3-159.900115.3
491K35.3Very low38.1Very low177 Ų177136.6 Ų136.677%0.7778%0.783SS**  cis-171.4152.9-25.2163.8-176.3167.4-164.70108.9
492G36.9Very low39.3Very low59 Ų59134.9 Ų134.961%0.60879%0.788SS**  trans85.6161.615900000116
493D37.6Very low38.9Very low137 Ų137138.2 Ų138.273%0.73379%0.793SS**  cis-149.7140.7-12.2-83.7-51.5000106.7
494R39.4Very low39.3Very low238 Ų238137.5 Ų137.590%0.89879%0.785SS**  43.9109.181.3-162.7-178.9-168.7174.44.3112.2
495G34.4Very low39.1Very low73 Ų73135.6 Ų135.675%0.75379%0.787SS**  cis126.2139.69.600000109.5
496E29.7Very low38.7Very low195 Ų195138.7 Ų138.791%0.91179%0.79SS**  trans-130142.5-171.1-154.6162.8-130.100112
497P43.8Very low39.7Very low120 Ų120133 Ų13378%0.77978%0.783SS**  trans-126.2137.2-152.335.1-16.7000116.6
498G39.3Very low39.4Very low75 Ų75134.9 Ų134.977%0.77378%0.784SS**  trans76.1121.5132.600000120
499I39.8Very low39.7Very low173 Ų173130.6 Ų130.689%0.88778%0.776SS**  trans-148.4133139.833.1170.1000109.6
500I37.6Very low40.3Very low165 Ų165131.7 Ų131.785%0.84679%0.787SS**  trans-137.1124.5157.6-66-177.4000107.7
501G43.1Very low40.1Very low78 Ų78130.6 Ų130.680%0.80479%0.787SS**  trans-109.3138.2151.800000107.8
502S59.8Low40.1Very low119 Ų119126.7 Ų126.783%0.83278%0.78SS**  trans-102.4127.5-163.753.50000114.1
503Q44Very low40.7Very low197 Ų197127.8 Ų127.892%0.92179%0.792SS**  trans-152.7139.8174-176.3177.8-200111.7
504G37.7Very low40.5Very low64 Ų64126.6 Ų126.666%0.6679%0.791SS**SBendtrans87.7111.5158.900000117.2
505V34.3Very low40.5Very low151 Ų151119.9 Ų119.992%0.91578%0.779SS**  trans4993.5167-145.90000115.9G507V505-G507 PolarHBondContact O-N 3.28Å
506K46.6Very low41.3Very low157 Ų157120.7 Ų120.768%0.68379%0.786SS**  trans-70.289.2-179.5-170.5-160.2-175.6-164.90112.3E508K506-E508 HydrophobicContact CD-CG 4.32Å; K506-E508 VanDerWaalsContact CE-OE1 3.3Å; K506-E508 WeakPolarHBondContact CE-OE1 3.27Å; K506-E508 IonicContact NZ-OE1 3.11Å; K506-E508 PolarHBondContact NZ-OE1 3.41Å
507G52.4Low41.5Very low64 Ų64117.3 Ų117.366%0.6677%0.774SS**PPolyproline II helixtrans-67.6124.7151.100000108.4V505 P509V505-G507 PolarHBondContact O-N 3.28Å; G507-P509 WeakPolarHBondContact O-CD 3.47Å
508E30.4Very low41.1Very low156 Ų156118.9 Ų118.973%0.72977%0.774SS**PPolyproline II helixtrans-72118.1-173.1-56.9-149.3112.600110.5K506K506-E508 HydrophobicContact CD-CG 4.32Å; K506-E508 VanDerWaalsContact CE-OE1 3.3Å; K506-E508 WeakPolarHBondContact CE-OE1 3.27Å; K506-E508 IonicContact NZ-OE1 3.11Å; K506-E508 PolarHBondContact NZ-OE1 3.41Å
509P39.9Very low41.5Very low106 Ų106118.9 Ų118.969%0.68878%0.775SS**PPolyproline II helixtrans-83.2168.4-170.534.8-36000112.1G507 D511G507-P509 WeakPolarHBondContact O-CD 3.47Å; P509-D511 PolarHBondContact O-N 3.38Å; P509-D511 VanDerWaalsContact O-N 3.11Å
510G48.7Very low41.3Very low82 Ų82116 Ų11685%0.84577%0.77SS**  trans-57.1111.8-172.200000114.6
511D30.8Very low41.7Very low156 Ų156114.2 Ų114.283%0.83477%0.769SS**  trans-71.6155.3172.7-107.6-22.5000111.9P509P509-D511 PolarHBondContact O-N 3.38Å; P509-D511 VanDerWaalsContact O-N 3.11Å
512P36.3Very low41.9Very low95 Ų95114 Ų11462%0.61777%0.766SS**  -104147.2-122-4.926.1000111.8P514P512-P514 WeakPolarHBondContact O-CD 3.02Å; P512-P514 VanDerWaalsContact O-CG 3.28Å; P512-P514 WeakPolarHBondContact O-CG 3.02Å; P512-P514 VanDerWaalsContact O-N 3.1Å
513G50.1Low41Very low83 Ų83115.8 Ų115.886%0.85677%0.766SS**  trans-61.8106.7174.100000112.2
514P33.3Very low40.7Very low111 Ų111115.5 Ų115.572%0.72176%0.762SS**  trans-85.8168.8-177.7-1.923.5000110.7P512P512-P514 WeakPolarHBondContact O-CD 3.02Å; P512-P514 VanDerWaalsContact O-CG 3.28Å; P512-P514 WeakPolarHBondContact O-CG 3.02Å; P512-P514 VanDerWaalsContact O-N 3.1Å
515P39.1Very low40.8Very low98 Ų98116 Ų11664%0.63677%0.767SS**  trans-71.4145.1-163.1-21.134.2000114.8L517P515-L517 HydrophobicContact CB-CB 4.04Å; P515-L517 HydrophobicContact CB-CD1 3.58Å; P515-L517 HydrophobicContact CB-CG 3.56Å; P515-L517 HydrophobicContact CG-CD1 4.03Å; P515-L517 PolarHBondContact O-N 3.34Å
516G51.6Low41Very low89 Ų89117.5 Ų117.592%0.91876%0.764SS**  trans-70.683.3151.900000109.9
517L33.8Very low40.7Very low125 Ų125119.3 Ų119.365%0.65478%0.775SS**  trans-131.3126.6178.6-77.3176.4000113.3P515P515-L517 HydrophobicContact CB-CB 4.04Å; P515-L517 HydrophobicContact CB-CD1 3.58Å; P515-L517 HydrophobicContact CB-CG 3.56Å; P515-L517 HydrophobicContact CG-CD1 4.03Å; P515-L517 PolarHBondContact O-N 3.34Å
518I35.3Very low40.3Very low152 Ų152119.8 Ų119.878%0.77978%0.78SS**  trans55.6102.1141.3-54.7173.1000116.2
519G46.6Very low40.9Very low76 Ų76118.5 Ų118.578%0.78479%0.788SS**  trans-74.4157.6163.900000113.1
520S36.5Very low41Very low113 Ų113118.4 Ų118.479%0.7980%0.796SS**  trans-141164.7171.679.30000108.9
521P45.2Very low40.7Very low126 Ų126118.3 Ų118.382%0.81880%0.795SS**  -101.9157.2-101.4-8.328.5000114.9
522G48.5Very low41.4Very low73 Ų73116.9 Ų116.975%0.75380%0.797SS**  trans-85.1144.5172.900000114.1
523L39.8Very low41.9Very low158 Ų158121 Ų12183%0.82781%0.81SS**  trans-127.5110161.5-68.2174.5000106.4
524K38.4Very low41.7Very low191 Ų191120.1 Ų120.183%0.8380%0.801SS**  59.6125.390.5-78.4-174.2172.2-179.40112.4
525G38.4Very low42.5Very low74 Ų74121 Ų12176%0.76381%0.807SS**  cis-174.3-166.60.200000108.7
526Q39.7Very low43Very low182 Ų182127.8 Ų127.885%0.8582%0.82SS**  cis-164167.2-0.1-141.5173.43.700107.8
527Q40.1Very low42.6Very low196 Ų196126.5 Ų126.592%0.91681%0.806SS**  trans66.5139.7174.9-169.6170.2-10.900116.1
528G43.6Very low43.3Very low74 Ų74126.2 Ų126.276%0.76381%0.812SS**  trans-130165175.300000112
529S44.3Very low43.9Very low128 Ų128124.7 Ų124.790%0.89581%0.812SS**  trans-124.9160.3170.452.90000110.1
530A40.9Very low44Very low105 Ų105124.8 Ų124.887%0.86881%0.813SS**  trans-85.6146.3-15600000116.2
531G42.7Very low44Very low79 Ų79127.2 Ų127.281%0.81482%0.817SS**  trans77.2102143.300000118.4M533G531-M533 PolarHBondContact O-N 3.3Å
532S46Very low43.7Very low127 Ų127128 Ų12889%0.88882%0.819SS**  trans-81108.4166.142.50000111.8
533M46.1Very low43.2Very low181 Ų181127.8 Ų127.889%0.89282%0.817SS**PPolyproline II helixtrans-72.7138.7165.5-174.316559.300109.7G531G531-M533 PolarHBondContact O-N 3.3Å
534G45.3Very low42.9Very low64 Ų64128.4 Ų128.466%0.6682%0.82SS**PPolyproline II helixtrans-62.2140.1-169.100000114.2R536G534-R536 PolarHBondContact O-N 3.25Å
535P51Low43.4Very low130 Ų130125.2 Ų125.284%0.84482%0.819SS**PPolyproline II helixtrans-68.7125-177.327.4-34.1000111.7
536R49.5Very low43.7Very low240 Ų240125.2 Ų125.291%0.90682%0.819SS**PPolyproline II helixtrans-65129166175.8178.7176177.8-2.3108.7G534G534-R536 PolarHBondContact O-N 3.25Å
537G42.9Very low43.5Very low62 Ų62126 Ų12664%0.63982%0.823SS**PPolyproline II helixtrans-56.8133.217900000112
538P47.7Very low43.5Very low120 Ų120125.4 Ų125.478%0.77982%0.819SS**PPolyproline II helixtrans-71.9154.5-177.129.2-34.9000112.2
539P49.7Very low43.3Very low120 Ų120125.6 Ų125.678%0.77982%0.821SS**PPolyproline II helixtrans-59.2163.5163.9-20.734.2000112.3
540G47Very low43.1Very low77 Ų77127.5 Ų127.579%0.79482%0.82SS**PPolyproline II helixtrans-90.1146.2-177.800000114
541D37.2Very low43.5Very low165 Ų165128.1 Ų128.188%0.88282%0.815SS**PPolyproline II helixtrans-98165.5-176.6-67.7-57.9000114.1
542V37.9Very low43.4Very low142 Ų142128.2 Ų128.286%0.86182%0.816SS**PPolyproline II helixtrans-97.2153.1-163.8178.20000112.4
543G39.4Very low43.2Very low69 Ų69132 Ų13271%0.71182%0.816SS**PPolyproline II helixtrans-70.5162.9-177.100000115.7
544L33.3Very low42.9Very low170 Ų170132.7 Ų132.789%0.8982%0.817SS**PPolyproline II helixtrans-88.8158.9-176.3-67.4171.2000113.3
545P49.4Very low42.8Very low125 Ų125133 Ų13381%0.81282%0.82SS**PPolyproline II helixtrans-76.7159-167.9-15.432.3000114.8
546G43.4Very low42.3Very low73 Ų73135.5 Ų135.575%0.75383%0.825SS**PPolyproline II helixtrans-85.7141.9179.900000114.7
547E36.3Very low42.2Very low199 Ų199133.5 Ų133.593%0.9382%0.823SS**PPolyproline II helixtrans-77.6155.7176.5-64.6-168.3112.400113.4
548H39.3Very low42.1Very low183 Ų183133.7 Ų133.785%0.84783%0.825SS**PPolyproline II helixtrans-84.8145.3179.1-86.745.1000112.9
549G40.7Very low41.8Very low78 Ų78137.6 Ų137.680%0.80483%0.833SS**PPolyproline II helixtrans-76.7159.9-176.500000115.3
550I38.9Very low41.8Very low168 Ų168139.9 Ų139.986%0.86283%0.831SS**  trans-106.4136.6-177.8-52.2177.1000109.9
551P49.8Very low41.3Very low118 Ų118139.1 Ų139.177%0.76682%0.822SS**PPolyproline II helixtrans-84.2145-156.7-15.532.9000117.3
552G40.6Very low41.1Very low81 Ų81137.3 Ų137.384%0.83581%0.813SS**PPolyproline II helixtrans-76.9119.9166.500000112.1
553K41.8Very low41.5Very low207 Ų207136.7 Ų136.790%0.981%0.812SS**PPolyproline II helixtrans-56.6141.4-165.7-60.7174.3-177.5177.50115.4
554Q40.6Very low41.4Very low195 Ų195137.1 Ų137.191%0.91182%0.816SS**PPolyproline II helixtrans-69.3143.1175.2-169.5175.116.100112.1
555G42Very low42.4Very low70 Ų70132.9 Ų132.972%0.72281%0.814SS**PPolyproline II helixtrans-84.4164.1-178.800000114.8
556I41.2Very low41.8Very low183 Ų183135.1 Ų135.194%0.93882%0.817SS**PPolyproline II helixtrans-97.1138.8176.656.8173.5000112.9
557K46.3Very low42.1Very low198 Ų198139.1 Ų139.186%0.86182%0.82SS**PPolyproline II helixtrans-79.7126.3-165.5169.7-173.2174.2-171.30113
558G42.4Very low42.2Very low67 Ų67133.3 Ų133.369%0.69181%0.813SS**PPolyproline II helixtrans-84.1158.2159.100000111.8
559E40.9Very low42.4Very low202 Ų202129.6 Ų129.694%0.94481%0.805SS**PPolyproline II helixtrans-79.3171.7-161.4-59.1-176.8125.900115.7
560K49.5Very low42.8Very low168 Ų168132.4 Ų132.473%0.7381%0.809SS**  trans-138129.8-173.7-173.5-136.6178.6-118.70112.1D562K560-D562 IonicContact NZ-OD1 2.86Å; K560-D562 PolarHBondContact NZ-OD1 3.03Å; K560-D562 IonicContact NZ-OD2 2.77Å; K560-D562 PolarHBondContact NZ-OD2 2.79Å
561G36.3Very low43.2Very low60 Ų60127.6 Ų127.662%0.61980%0.801SS**  trans178.1104.6165.200000107.7
562D33.2Very low42.3Very low127 Ų127130.1 Ų130.168%0.67981%0.807SS**  70.7142.378.1-60.7-41.1000112K560K560-D562 IonicContact NZ-OD1 2.86Å; K560-D562 PolarHBondContact NZ-OD1 3.03Å; K560-D562 IonicContact NZ-OD2 2.77Å; K560-D562 PolarHBondContact NZ-OD2 2.79Å
563P45.9Very low42.5Very low129 Ų129132.1 Ų132.184%0.83881%0.805SS**  cis-111.6-179.55.141.7-31.3000113.7
564G37.9Very low43Very low79 Ų79125.3 Ų125.381%0.81479%0.794SS**  trans-96.7168.1175.700000114.7
565G54.3Low42.9Very low81 Ų81122.5 Ų122.584%0.83579%0.792SS**  trans95.362.2157.700000117.7
566I35.7Very low42.9Very low171 Ų171128.6 Ų128.688%0.87780%0.799SS**  trans-128.8139.6157.447.2174.6000111.3
567I50Low43.5Very low158 Ų158122.6 Ų122.681%0.8178%0.782SS**  trans-76.7146-176.1-65.8164.3000109.8P569I567-P569 WeakPolarHBondContact O-CD 3.04Å
568G39.4Very low42.9Very low76 Ų76122.9 Ų122.978%0.78479%0.787SS**  trans-90.498.1166.200000111.5
569P42.7Very low42.8Very low106 Ų106124.2 Ų124.269%0.68879%0.791SS**  trans-68.6162.417529.6-36.6000112.4I567 G571I567-P569 WeakPolarHBondContact O-CD 3.04Å; P569-G571 PolarHBondContact O-N 2.93Å; P569-G571 VanDerWaalsContact O-N 3.08Å
570P50.3Low43.7Very low136 Ų136118.3 Ų118.388%0.88378%0.784SS**  trans-75.2100.9-167.429-36.3000114.6
571G46Very low43.3Very low67 Ų67116 Ų11669%0.69179%0.786SS**  trans68.7172.7153.100000118.1P569P569-G571 PolarHBondContact O-N 2.93Å; P569-G571 VanDerWaalsContact O-N 3.08Å
572L31.8Very low43.7Very low172 Ų172119.1 Ų119.190%0.90180%0.796SS**  trans-146.1154.2144.9-85.8-174.2000109.1
573P44.9Very low44.2Very low122 Ų122116.3 Ų116.379%0.79280%0.797SS**  trans-81.3156.8-166.1-1330.9000114.2
574G50.8Low43.8Very low64 Ų64120 Ų12066%0.6680%0.8SS**  trans-77173.2177.500000115K576G574-K576 PolarHBondContact O-N 3.26Å
575P39.3Very low43.9Very low136 Ų136120.6 Ų120.688%0.88379%0.792SS**  trans-71.4102.3178.129.5-34.2000112
576K41.5Very low43.2Very low198 Ų198124.5 Ų124.586%0.86179%0.792SS**  trans-41.8135.5142.4172.8-173.7179.6-172.60109.1G574G574-K576 PolarHBondContact O-N 3.26Å
577G55.3Low43.7Very low57 Ų57122.2 Ų122.259%0.58879%0.789SS**  cis115.1102.815.700000109.2
578E32.5Very low43.7Very low205 Ų205118.2 Ų118.296%0.95879%0.786SS**  trans-75.3145.1172.3-66.8-165150.600110.6
579A41Very low43.7Very low95 Ų95123.4 Ų123.479%0.78579%0.79SS**  trans-106.8133.9-165.100000112.7
580G58.5Low44.1Very low77 Ų77124.2 Ų124.279%0.79480%0.795SS**  trans-86.7150.6165.400000112.4
581P42.8Very low44.3Very low119 Ų119120.9 Ų120.977%0.77379%0.786SS**  trans-137.2170156.738.8-26000113
582P43.8Very low44.3Very low126 Ų126125.5 Ų125.582%0.81879%0.794SS**  cis-126.9162.6-31.437-23000112.6
583G43.1Very low44.7Very low68 Ų68124.5 Ų124.570%0.70179%0.789SS**  trans-106.2168.5166.500000113
584K38.8Very low45Very low207 Ų207121.5 Ų121.590%0.978%0.781SS**  trans-178.9153.5164.1-100153.6-174.7-178.40108.6
585S38.6Very low44.3Very low92 Ų92126 Ų12664%0.64379%0.79SS**  cis-166.2139.15.235.30000114.3
586L40.2Very low44.8Very low162 Ų162125.3 Ų125.385%0.84879%0.785SS**  trans68.4175143.1-58.2168.6000116.7
587P47.4Very low45Very low123 Ų123119.6 Ų119.680%0.79978%0.783SS**  -127.5-176.9-84.237.2-18.8000112.8
588G49.8Very low44.3Very low74 Ų74121.4 Ų121.476%0.76379%0.792SS**  trans-113.1144.7-17900000114.8
589E39.9Very low45.5Very low186 Ų186117.9 Ų117.987%0.86979%0.787SS**  trans-172.3167.4165.2-120.7-177.2-163.400108.2
590P49.5Very low46Very low122 Ų122116.5 Ų116.579%0.79278%0.782SS**  -110.8-168-54.3166.6000111
591G55.4Low45.6Very low67 Ų67119.1 Ų119.169%0.69179%0.785SS**  trans-100.5-165.7-175.500000116.9
592L44.6Very low46.2Very low163 Ų163124.9 Ų124.985%0.85379%0.791SS**  trans78.4139.7-169-49.7179000113.8
593D41.7Very low46.8Very low151 Ų151121.3 Ų121.381%0.80778%0.777SS**  cis-147.4166.7-6.7-131.5-32.4000112.5
594G51.3Low46.9Very low59 Ų59124.3 Ų124.361%0.60878%0.784SS**  trans-81.2158-166.300000117.5
595N34.8Very low47.4Very low159 Ų159124 Ų12485%0.8578%0.783SS**  trans-150.8163.1165.4-99.1-61.7000110.6
596P49.7Very low48Very low122 Ų122122.5 Ų122.579%0.79278%0.782SS**PPolyproline II helixtrans-80.7155.2-137.9-20.235000117.5
597G46.6Very low48.1Very low78 Ų78124 Ų12480%0.80479%0.785SS**PPolyproline II helixtrans-69.5142.5177.600000114.2
598A40.9Very low48Very low95 Ų95129.5 Ų129.579%0.78579%0.79SS**PPolyproline II helixtrans-69152.9178.400000112.6
599P56.7Low47.8Very low131 Ų131128.9 Ų128.985%0.85178%0.783SS**PPolyproline II helixtrans-65.4137.8-169.3-23.335000114.6
600G52.1Low47.9Very low65 Ų65128 Ų12867%0.6778%0.783SS**PPolyproline II helixtrans-68.1152.6175.800000113.5
601P49.1Very low48Very low132 Ų132127.6 Ų127.686%0.85778%0.781SS**PPolyproline II helixtrans-63138.9-179.726.4-34.5000111.7G603P601-G603 PolarHBondContact O-N 2.73Å; P601-G603 VanDerWaalsContact O-N 3.14Å
602R56.3Low47.4Very low241 Ų241128.2 Ų128.291%0.90979%0.787SS**  trans-64.6112.1-174.9-175.7178.9-176.3170.93.6111.3
603G55.4Low47.3Very low51 Ų51127.1 Ų127.153%0.52679%0.787SS.*  trans-61.7166.8173.100000113.6P601P601-G603 PolarHBondContact O-N 2.73Å; P601-G603 VanDerWaalsContact O-N 3.14Å
604P46.2Very low47.3Very low130 Ų130128.5 Ų128.584%0.84479%0.788SS**  trans-57.3147.4178.526.1-34.9000110.9G606P604-G606 PolarHBondContact O-N 2.7Å
605K48.4Very low46.6Very low201 Ų201128.5 Ų128.587%0.87479%0.788SS**  trans-68.596.2176.9-176.4-172.9175.5-172.30109
606G51Low47.2Very low61 Ų61125.8 Ų125.863%0.62978%0.782SS**PPolyproline II helixtrans-53.5150170.900000111.7P604P604-G606 PolarHBondContact O-N 2.7Å
607E44.2Very low46.8Very low193 Ų193126.4 Ų126.490%0.90279%0.786SS**PPolyproline II helixtrans-59.7152176.9-60.6-178.7139.500110.5G609E607-G609 PolarHBondContact O-N 3.37Å; E607-G609 VanDerWaalsContact O-N 3.14Å
608R44.8Very low46.3Very low239 Ų239125.7 Ų125.790%0.90278%0.778SS**PPolyproline II helixtrans-65.2119176.8178.5-175.4-72.5164.2-4108
609G45Very low46.8Very low61 Ų61129.2 Ų129.263%0.62978%0.784SS**PPolyproline II helixtrans-50.9142175.300000112.1E607E607-G609 PolarHBondContact O-N 3.37Å; E607-G609 VanDerWaalsContact O-N 3.14Å
610L42.7Very low46.1Very low167 Ų167131.4 Ų131.487%0.87479%0.786SS**PPolyproline II helixtrans-55.5138.8-179.4-66.9167000110.8
611P51.8Low45.5Very low114 Ų114131.8 Ų131.874%0.7479%0.79SS**PPolyproline II helixtrans-54.6144.2166.8-2434.6000111.1V613P611-V613 PolarHBondContact O-N 3.02Å
612G41.3Very low45.7Very low80 Ų80130.9 Ų130.983%0.82578%0.784SS**PPolyproline II helixtrans-57.8127.3-179.200000112H614G612-H614 PolarHBondContact O-N 3.09Å
613V44.4Very low45.4Very low139 Ų139125.5 Ų125.584%0.84278%0.781SS**PPolyproline II helixtrans-71.8117.3-177.4-173.70000109.4P611P611-V613 PolarHBondContact O-N 3.02Å
614H39.7Very low44.7Very low181 Ų181126.9 Ų126.984%0.83879%0.794SS**PPolyproline II helixtrans-71.2141.4167.6-171.975.5000109.6G612G612-H614 PolarHBondContact O-N 3.09Å
615G38.5Very low44.2Very low58 Ų58127.6 Ų127.660%0.59880%0.796SS**PPolyproline II helixtrans-64.1146.5-166.300000114.4
616S46.3Very low43.5Very low103 Ų103120.9 Ų120.972%0.7278%0.784SS**PPolyproline II helixtrans-73.1141164.444.80000110.7G618S616-G618 PolarHBondContact O-N 2.84Å; S616-G618 VanDerWaalsContact O-N 3.15Å
617P41.6Very low43Very low135 Ų135125.9 Ų125.988%0.87780%0.795SS**  trans-54.7114145.3-17.632.1000106.8
618G35.2Very low43.3Very low62 Ų62122.7 Ų122.764%0.63979%0.791SS**  trans-99175.5-158.900000115.9S616S616-G618 PolarHBondContact O-N 2.84Å; S616-G618 VanDerWaalsContact O-N 3.15Å
619D53.2Low42.8Very low170 Ų170114.8 Ų114.891%0.90978%0.784SS**  trans-112.7154.2171.9-74-60.3000111.2
620I40.1Very low42.9Very low177 Ų177123 Ų12391%0.90880%0.796SS**  trans-87.4122.6-179-60.9174.7000110.5
621G39.5Very low42.8Very low73 Ų73121.3 Ų121.375%0.75379%0.793SS**  trans-179.788.7172.500000114.5
622P53.3Low42.2Very low112 Ų112118.8 Ų118.873%0.72779%0.788SS**  trans-101.8-178.3-178.542-36.5000112.2
623P51.4Low42.3Very low129 Ų129120.4 Ų120.484%0.83879%0.786SS**  -127.5170.9-62.138.3-24.3000111.6
624G41.1Very low42.4Very low79 Ų79123.2 Ų123.281%0.81479%0.79SS**  trans-167.574.6178.900000115.2
625V34.9Very low42.8Very low145 Ų145117.6 Ų117.688%0.87978%0.781SS**  trans-82.4125.5172.9-179.60000109.3
626G34Very low43.3Very low61 Ų61121 Ų12163%0.62979%0.793SS**  trans-84.9-173.8172.200000112.6
627I39.7Very low43.6Very low165 Ų165123.3 Ų123.385%0.84680%0.802SS**  trans-156.6148.7160.1-107.2149.3000109.8
628P51Low44.1Very low127 Ų127120 Ų12083%0.82579%0.792SS**  trans-106.6170-172.325.1-6.6000114
629G34.9Very low44.6Very low73 Ų73126 Ų12675%0.75380%0.803SS**  trans-172.1167.8161.100000112.1
630R46.9Very low44.6Very low232 Ų232124 Ų12488%0.87580%0.8SS**  cis-175.1146-27.4-147.5-175.5-173.9-155.52.2105.7
631T39.5Very low45Very low133 Ų133119 Ų11982%0.81679%0.792SS**  trans70.9145.8165.4-43.80000115.3
632G39.9Very low45.4Very low61 Ų61123.7 Ų123.763%0.62980%0.798SS**  cis171.3-168.9-1000000113.9
633S43.3Very low45.1Very low113 Ų113126.2 Ų126.279%0.7980%0.8SS**  trans47.491.6162.957.70000120.2
634Q46.1Very low45.3Very low198 Ų198122.6 Ų122.693%0.92579%0.786SS**  42.5126121.7-168.6176.1900121
635G49Very low45.6Very low63 Ų63125.2 Ų125.265%0.64979%0.789SS**  trans-130.4155.7155.800000111.1
636P48.3Very low46.4Very low130 Ų130128 Ų12884%0.84478%0.783SS**PPolyproline II helixtrans-78.6164.7-172.231.8-35.7000114.4
637V53.2Low47.3Very low151 Ų151128 Ų12892%0.91578%0.783SS**PPolyproline II helixtrans-69.3127.7-175.6175.10000111.8
638G50.9Low47.9Very low65 Ų65128 Ų12867%0.6779%0.785SS**PPolyproline II helixtrans-86153.3164.300000112.1
639E45.5Very low48Very low188 Ų188126.5 Ų126.588%0.87978%0.775SS**PPolyproline II helixtrans-65.1155.2-174.9-62.9-175.4125.800113.3G641E639-G641 PolarHBondContact O-N 3.26Å; E639-G641 VanDerWaalsContact O-N 3.12Å
640P53.8Low48.8Very low130 Ų130126.4 Ų126.484%0.84477%0.773SS**  trans-62.2115.5-175.1-23.134.5000113
641G48.8Very low49.1Very low70 Ų70123.1 Ų123.172%0.72277%0.772SS**  trans-57138.5168.600000111.1E639 Q643E639-G641 PolarHBondContact O-N 3.26Å; E639-G641 VanDerWaalsContact O-N 3.12Å; G641-Q643 PolarHBondContact O-N 2.97Å
642I48.9Very low49.8Very low173 Ų173122.3 Ų122.389%0.88777%0.769SS**  trans-48.2123.7-17549.6173.9000112.2G644I642-G644 PolarHBondContact O-N 2.92Å
643Q45.8Very low50.3Low165 Ų165122.8 Ų122.877%0.77177%0.774SS**  trans-64.1108.7177.7179.7168100.600108.9G641G641-Q643 PolarHBondContact O-N 2.97Å
644G55.9Low50.8Low53 Ų53123.5 Ų123.555%0.54677%0.774SS.*  trans-52.4148.2170.700000110.5I642 R646I642-G644 PolarHBondContact O-N 2.92Å; G644-R646 PolarHBondContact O-N 3.34Å
645P47.3Very low51.7Low134 Ų134119.8 Ų119.887%0.8777%0.767SS**  trans-51.3115-165.720-33.2000110.7G647P645-G647 PolarHBondContact O-N 2.95Å
646R50.8Low51.8Low202 Ų202120.1 Ų120.176%0.76277%0.771SS**  trans-50.3111.4-174.9-179177.9-177.7173.11.7109G644 L648G644-R646 PolarHBondContact O-N 3.34Å; R646-L648 PolarHBondContact O-N 3.18Å
647G54.5Low51.9Low61 Ų61120.1 Ų120.163%0.62977%0.769SS**  trans-49.9136.2174.400000109.3P645P645-G647 PolarHBondContact O-N 2.95Å
648L51.4Low52.5Low167 Ų167118.2 Ų118.287%0.87476%0.759SS**  trans-45.4129.9-178-78.2168.1000109.2R646 G650R646-L648 PolarHBondContact O-N 3.18Å; L648-G650 PolarHBondContact O-N 3.44Å; L648-G650 VanDerWaalsContact O-N 3.07Å
649P52.3Low52.7Low95 Ų95118.9 Ų118.962%0.61777%0.766SS**PPolyproline II helixtrans-49.8123.2178.8-27.534.6000109.5L651P649-L651 PolarHBondContact O-N 2.98Å; P649-L651 VanDerWaalsContact O-N 3.16Å
650G51.7Low53Low70 Ų70117.6 Ų117.672%0.72277%0.765SS**PPolyproline II helixtrans-52126.6173.100000108L648L648-G650 PolarHBondContact O-N 3.44Å; L648-G650 VanDerWaalsContact O-N 3.07Å
651L53.6Low53.1Low164 Ų164119.1 Ų119.186%0.85977%0.766SS**PPolyproline II helixtrans-49.3131.2-178.5-75.3167.9000108.6P649 G653P649-L651 PolarHBondContact O-N 2.98Å; P649-L651 VanDerWaalsContact O-N 3.16Å; L651-G653 PolarHBondContact O-N 3.44Å; L651-G653 VanDerWaalsContact O-N 3.09Å
652P54.7Low53Low116 Ų116119.5 Ų119.575%0.75377%0.77SS**PPolyproline II helixtrans-50.5123.3178.6-2834.9000109.7T654P652-T654 PolarHBondContact O-N 2.79Å; P652-T654 VanDerWaalsContact O-N 3.07Å
653G51.3Low53.1Low71 Ų71117.7 Ų117.773%0.73277%0.767SS**PPolyproline II helixtrans-53.7120.4178.200000108.5L651 P655L651-G653 PolarHBondContact O-N 3.44Å; L651-G653 VanDerWaalsContact O-N 3.09Å; G653-P655 WeakPolarHBondContact O-CD 3.32Å
654T53.2Low53.8Low128 Ų128115.3 Ų115.379%0.78577%0.765SS**PPolyproline II helixtrans-54.5123.9-175.646.80000109.1P652 G656P652-T654 PolarHBondContact O-N 2.79Å; P652-T654 VanDerWaalsContact O-N 3.07Å; T654-G656 PolarHBondContact O-N 2.79Å
655P63.8Low53.8Low119 Ų119116.5 Ų116.577%0.77378%0.778SS**PPolyproline II helixtrans-51.5131174.2-27.635.4000109.9G653 T657G653-P655 WeakPolarHBondContact O-CD 3.32Å; P655-T657 PolarHBondContact O-N 2.94Å
656G52.3Low54Low71 Ų71122 Ų12273%0.73278%0.781SS**PPolyproline II helixtrans-56.1128-18000000110T654 P658T654-G656 PolarHBondContact O-N 2.79Å; G656-P658 WeakPolarHBondContact O-CD 3.01Å
657T50Low54.1Low130 Ų130120 Ų12080%0.79879%0.786SS**PPolyproline II helixtrans-60.2123.1-176.148.70000110.6P655P655-T657 PolarHBondContact O-N 2.94Å
658P66.4Low54Low111 Ų111120.5 Ų120.572%0.72179%0.791SS**PPolyproline II helixtrans-56152.1163.6-22.634.7000110.7G656G656-P658 WeakPolarHBondContact O-CD 3.01Å
659G55.1Low53.9Low78 Ų78122.3 Ų122.380%0.80479%0.791SS**PPolyproline II helixtrans-62.4142.7176.200000111.8
660N51.6Low54.1Low162 Ų162123.8 Ų123.887%0.86680%0.801SS**  trans-90.8112.5178.2-60.8-63.5000110.5
661D56Low53.9Low162 Ų162123.8 Ų123.887%0.86680%0.802SS**PPolyproline II helixtrans-75.2153.1157.2-78.4-45.9000110.6
662G47Very low53.6Low77 Ų77124 Ų12479%0.79480%0.803SS**PPolyproline II helixtrans-68.8139.4-165.600000115.3
663V50.7Low53.9Low136 Ų136124.4 Ų124.482%0.82481%0.805SS**PPolyproline II helixtrans-88126.3177.1-170.30000110.4
664P59.6Low53.8Low114 Ų114123.9 Ų123.974%0.7480%0.8SS**PPolyproline II helixtrans-57.8143.4170.9-26.236000112.8
665G55.7Low53.5Low79 Ų79123.9 Ų123.981%0.81480%0.802SS**PPolyproline II helixtrans-62.7150.6-176.200000113.8
666R51.4Low52.6Low248 Ų248124.2 Ų124.294%0.93680%0.804SS**PPolyproline II helixtrans-94.4140.9170.9-75.9-178.5165.3-173.6-5.7110.7
667D53.1Low51.9Low162 Ų162124.2 Ų124.287%0.86680%0.804SS**PPolyproline II helixtrans-59.2142.2177.3-61.3-68.5000113.2
668G53Low51.4Low71 Ų71125.8 Ų125.873%0.73281%0.808SS**PPolyproline II helixtrans-72.3143.2177.100000112.1
669K50Low50.2Low204 Ų204126.3 Ų126.389%0.88781%0.811SS**PPolyproline II helixtrans-66.5139.3169.3-64.9-174.2179.1-1730109.6G671K669-G671 PolarHBondContact O-N 3.13Å
670P55.3Low49.2Very low126 Ų126130.9 Ų130.982%0.81882%0.816SS**PPolyproline II helixtrans-53.8138.4176.8-28.235.6000113
671G48.3Very low48.3Very low71 Ų71127.7 Ų127.773%0.73281%0.811SS**PPolyproline II helixtrans-68.9149.8169.800000111.4K669K669-G671 PolarHBondContact O-N 3.13Å
672L47.8Very low47.2Very low169 Ų169128 Ų12889%0.88581%0.812SS**PPolyproline II helixtrans-65.9143.1174.4-67.9167.9000110.4
673P59.9Low46.9Very low123 Ų123129.2 Ų129.280%0.79981%0.806SS**PPolyproline II helixtrans-55.9139.4169.1-24.434.5000111.7
674G49.7Very low45.9Very low60 Ų60130 Ų13062%0.61981%0.805SS**PPolyproline II helixtrans-68.2151.9168.800000111.3
675P46.1Very low44.4Very low128 Ų128132.8 Ų132.883%0.83181%0.812SS**PPolyproline II helixtrans-65.7135.417927.6-34.2000111.2
676P45.9Very low43.2Very low126 Ų126132.7 Ų132.782%0.81881%0.812SS**PPolyproline II helixtrans-58.2144.3160.8-20.733.5000110.4
677G38Very low42.4Very low72 Ų72127.9 Ų127.974%0.74280%0.804SS**PPolyproline II helixtrans-82.8140.9-178.400000113.4P679G677-P679 WeakPolarHBondContact O-CD 3.3Å
678D38.6Very low41.5Very low162 Ų162127.2 Ų127.287%0.86680%0.799SS**PPolyproline II helixtrans-72.8126.7178.2-64-56.7000112.9
679P41.3Very low40.5Very low122 Ų122125.1 Ų125.179%0.79278%0.778SS**PPolyproline II helixtrans-83.2136.8159.933-30.8000110.9G677G677-P679 WeakPolarHBondContact O-CD 3.3Å
680I35Very low39.7Very low175 Ų175118.5 Ų118.590%0.89776%0.761SS**PPolyproline II helixtrans-81.7120-175.2-60.3168.1000111.4
681A32.5Very low38.6Very low94 Ų94117.2 Ų117.278%0.77775%0.747SS**  trans-155.6127.2155.300000113.3
682L33.4Very low37.7Very low168 Ų168117.8 Ų117.888%0.8873%0.733SS**  trans-106.1173.8156.4-76.8168.6000107.2
683P40.4Very low36.9Very low103 Ų103117.7 Ų117.767%0.66973%0.725SS**  cis-138.2174.90.528.6-4.9000116.9
684L28.6Very low35.6Very low154 Ų154117.7 Ų117.781%0.80672%0.718SS**  trans68.8147.4139.9-78.8163.8000124.3
685L28.8Very low34.7Very low171 Ų171124.8 Ų124.890%0.89573%0.732SS**  trans79.5139150.4-120.270.9000120.7
686G30.5Very low33.7Very low77 Ų77124.9 Ų124.979%0.79474%0.735SS**  trans139.3105.2166.900000114.4
687D34.1Very low32.9Very low147 Ų147121.9 Ų121.979%0.78673%0.727SS**  trans-93.6151.9179.4-88.4-61000114.3
688I35.1Very low32.8Very low148 Ų148126.3 Ų126.376%0.75973%0.734SS**  trans36.6117.7145-54.4171.5000118.4
689G30.7Very low32.2Very low27 Ų27125.2 Ų125.228%0.27874%0.737SS.*  trans-142.61.7-17900000120.2P1119G689-P1119 CarbonylContact C-O 3.35Å; G689-P1119 WeakPolarHBondContact CA-O 3.05Å; G689-P1119 CarbonylContact O-C 3.51Å; G689-P1119 WeakPolarHBondContact O-CA 3.26Å; G689-P1119 WeakPolarHBondContact O-CB 3.14Å; G689-P1119 VanDerWaalsContact O-CG 3.22Å; G689-P1119 WeakPolarHBondContact O-CG 3.35Å
690A33.9Very low32.2Very low65 Ų65128.4 Ų128.454%0.53774%0.741SS.*  trans57.3176.515400000122.5G1121A690-G1121 VanDerWaalsContact CB-N 3.31Å
691L33.1Very low31.8Very low100 Ų100124.3 Ų124.352%0.52473%0.733SS.*  trans-77.9176.1-161.6-52.6-44.4000117.4G1121L691-G1121 VanDerWaalsContact N-CA 3.35Å; L691-G1121 WeakPolarHBondContact O-CA 3.06Å
692L28.2Very low31.7Very low82 Ų82125.3 Ų125.343%0.42974%0.735SS.*  trans99.6144.1163.6-59.1152.6000115.8R1122L692-R1122 HydrophobicContact CD1-CB 4Å; L692-R1122 HydrophobicContact CD1-CG 3.79Å; L692-R1122 VanDerWaalsContact CD1-CZ 3.47Å; L692-R1122 HydrophobicContact CD2-CB 4.16Å; L692-R1122 HydrophobicContact CD2-CG 4.47Å; L692-R1122 HydrophobicContact CG-CB 4.32Å
693K31.8Very low31.7Very low168 Ų168123.6 Ų123.673%0.7373%0.731SS**  cis-142.7140.826.4-161.6-179.3-179-173.60112.1
694N33Very low31.8Very low123 Ų123124.8 Ų124.866%0.65874%0.739SS**  trans19.4121.4162.8-59.119.5000120.6
695F29.1Very low32Very low208 Ų208120.7 Ų120.791%0.91273%0.734SS**  26109.3122.1-87.2-96.8000118.8
696C25.8Very low32Very low130 Ų130120.1 Ų120.188%0.87873%0.731SS**  -152.4154.2114.2-107.60000108
697G29Very low32Very low63 Ų63125.3 Ų125.365%0.64973%0.732SS**  cis105.7112.215.400000109.4
698N36.9Very low32Very low166 Ų166122.6 Ų122.689%0.88872%0.724SS**  trans-52.1139.1-171.8-62.7-10000113.3
699C25.6Very low32.1Very low139 Ų139122.7 Ų122.794%0.93973%0.726SS**  -164.1162.8120.6-115.20000112.9
700Q40.3Very low32.2Very low188 Ų188129.2 Ų129.288%0.87975%0.747SS**  trans-122.7123.7-174.7168.6-176.1-8.700108.5
701A27.2Very low32.3Very low89 Ų89129 Ų12974%0.73675%0.752SS**  trans180133.9157.600000114.8
702S29.6Very low32.5Very low116 Ų116130.7 Ų130.781%0.81176%0.757SS**  trans36.712714360.50000123.8
703V34.1Very low32.8Very low132 Ų132136 Ų13680%0.878%0.779SS**  trans-75.4167.3156.8-144.90000111.1
704P41.6Very low32.9Very low127 Ų127131.9 Ų131.983%0.82578%0.784SS**  -155.2158.697.739-20.5000118.6
705G32.8Very low32.8Very low69 Ų69129.7 Ų129.771%0.71179%0.791SS**  trans100.5144157.800000116.9
706L30.2Very low32.9Very low159 Ų159125 Ų12583%0.83279%0.791SS**  cis-160.1145.4-1.1-116.8171.7000111.7
707K30.8Very low33.3Very low186 Ų186122.2 Ų122.281%0.80978%0.784SS**  trans68.4149.4167.6-62.1-173.5179.31790117.5
708S33Very low33.9Very low89 Ų89128.6 Ų128.662%0.62280%0.797SS**  cis-178.8151.4-16.2-95.90000107.5
709N36.4Very low34.3Very low150 Ų150126.5 Ų126.580%0.80279%0.792SS**  cis-152.3168.1-12.6-75.2-24.8000105.2
710K33.4Very low34.6Very low164 Ų164123.5 Ų123.571%0.71379%0.786SS**  cis-127.2-150.65.1-135.7-165.9176.8-1650107E712K710-E712 VanDerWaalsContact CE-CD 3.4Å; K710-E712 WeakPolarHBondContact CE-OE1 3.17Å; K710-E712 WeakPolarHBondContact CE-OE2 3.48Å; K710-E712 IonicContact NZ-OE1 2.64Å; K710-E712 PolarHBondContact NZ-OE1 2.77Å; K710-E712 IonicContact NZ-OE2 2.66Å; K710-E712 PolarHBondContact NZ-OE2 3.32Å
711G37Very low34.5Very low62 Ų62122.5 Ų122.564%0.63978%0.778SS**  cis146.2139.3-11.400000110.3
712E36Very low34.8Very low134 Ų134127.6 Ų127.663%0.62678%0.78SS**  cis-145.2158.5-1.6-90.5150.4152.400110.1K710K710-E712 VanDerWaalsContact CE-CD 3.4Å; K710-E712 WeakPolarHBondContact CE-OE1 3.17Å; K710-E712 WeakPolarHBondContact CE-OE2 3.48Å; K710-E712 IonicContact NZ-OE1 2.64Å; K710-E712 PolarHBondContact NZ-OE1 2.77Å; K710-E712 IonicContact NZ-OE2 2.66Å; K710-E712 PolarHBondContact NZ-OE2 3.32Å
713E34.3Very low35.1Very low194 Ų194128.4 Ų128.491%0.90778%0.775SS**  trans25.6154.6144.7-54.3176.1156.900121.6
714G33.9Very low35.5Very low81 Ų81126.9 Ų126.984%0.83577%0.77SS**  cis1441494.500000110.1
715G32.8Very low35.4Very low78 Ų78129.9 Ų129.980%0.80478%0.776SS**  cis-177.9154.1-800000112.7
716A30.8Very low36Very low109 Ų109131.2 Ų131.290%0.90178%0.779SS**  trans32.4114.6164.600000123.2
717G32.7Very low36.5Very low72 Ų72136 Ų13674%0.74279%0.786SS**  72.4106.7112.700000123.9
718E43Very low36.9Very low196 Ų196136.9 Ų136.992%0.91679%0.79SS**  trans61.6170.7149.6-68.1-145.912100119
719P44.6Very low37.5Very low122 Ų122135.2 Ų135.279%0.79279%0.788SS**  cis-131-174.40.143.1-27.6000115.4
720G32.5Very low37.7Very low77 Ų77135.7 Ų135.779%0.79479%0.79SS**  trans143.6127.6149.300000118.9
721K37.7Very low38.2Very low167 Ų167135.7 Ų135.773%0.72680%0.796SS**  trans-83.5158.9173-62176.2176179.60112.8
722Y34Very low38.9Very low196 Ų196135.9 Ų135.977%0.76980%0.798SS**  170126.8102.9-90-66.3000115.3
723D35.7Very low39.4Very low133 Ų133135.8 Ų135.871%0.71181%0.809SS**  trans36.4117.1140.8-54.7-3.7000125.1
724S42.4Very low40.6Very low100 Ų100138.3 Ų138.370%0.69981%0.81SS**  trans38128.4134.969.60000123.6
725M38.7Very low41.7Very low190 Ų190137.1 Ų137.194%0.93680%0.798SS**  -175.416895.8-93.8-156.3-177.200113.3
726A46.3Very low42.4Very low96 Ų96139.3 Ų139.379%0.79380%0.798SS**  trans-87.6154.9-158.100000117.6
727R41.3Very low43.6Very low259 Ų259140.1 Ų140.198%0.97779%0.794SS**  trans-151.8176.7145.5-109.4170.7-166.1-149.91.9111.2
728K37.7Very low44.5Very low205 Ų205140.2 Ų140.289%0.89180%0.795SS**  trans-122.2137.3-147.6172.4-165172.6-1700114.7
729G46.3Very low44.7Very low55 Ų55138.6 Ų138.657%0.56779%0.791SS**  trans100.9124140.500000118.2
730D40.7Very low45.2Very low159 Ų159138.2 Ų138.285%0.8579%0.789SS**  trans52.3139.7147.1-43.2-38.6000118.9
731I44.1Very low46.2Very low164 Ų164138.2 Ų138.284%0.84179%0.789SS**  cis-139.7145.838.8-68.4161.7000110.5
732G51.2Low46.9Very low66 Ų66142 Ų14268%0.6880%0.799SS**PPolyproline II helixtrans-73136.8174.600000113.6
733P47.1Very low47.9Very low132 Ų132141.8 Ų141.886%0.85781%0.805SS**PPolyproline II helixtrans-68.6140.3-17727.4-34.4000112.8G735P733-G735 PolarHBondContact O-N 3.34Å
734R58.9Low48.7Very low247 Ų247138.7 Ų138.793%0.93281%0.805SS**PPolyproline II helixtrans-64.3126.8179.8-176.6178.2-178.1171.70.8111
735G56.7Low49.1Very low56 Ų56140 Ų14058%0.57781%0.811SS**PPolyproline II helixtrans-59.8149.317600000113P733P733-G735 PolarHBondContact O-N 3.34Å
736P48.2Very low50.1Low124 Ų124140.9 Ų140.981%0.80581%0.809SS**PPolyproline II helixtrans-65.9155.1-176.527.4-35000112.4
737P55.2Low50.4Low127 Ų127139.8 Ų139.883%0.82581%0.807SS**PPolyproline II helixtrans-61.2142.9-177-23.234.4000113.6
738G52.3Low50.7Low74 Ų74133 Ų13376%0.76380%0.8SS**PPolyproline II helixtrans-63.613717300000111.9
739I47Very low51.6Low161 Ų161133 Ų13383%0.82680%0.8SS**PPolyproline II helixtrans-67.3131.5179.6-54.9173.7000109G741I739-G741 PolarHBondContact O-N 2.71Å
740P56.1Low51.9Low114 Ų114133.7 Ų133.774%0.7481%0.807SS**PPolyproline II helixtrans-56135.4177.2-27.335.6000112.8R742P740-R742 PolarHBondContact O-N 3.08Å
741G53.7Low52.2Low78 Ų78135.3 Ų135.380%0.80481%0.809SS**PPolyproline II helixtrans-62.6129.1177.500000111.4I739I739-G741 PolarHBondContact O-N 2.71Å
742R52.1Low52.7Low245 Ų245139 Ų13993%0.92581%0.812SS**PPolyproline II helixtrans-71.7141.9171.5-69.6-176.1172.1-165.7-3.4109.8P740P740-R742 PolarHBondContact O-N 3.08Å
743E54.8Low52.8Low192 Ų192138.8 Ų138.890%0.89781%0.81SS**PPolyproline II helixtrans-58.1141.7174.3-65.4-174.3119.300111.3
744G53.1Low52.7Low69 Ų69143.2 Ų143.271%0.71181%0.811SS**PPolyproline II helixtrans-67.7138.5-176.500000112.1K746G744-K746 PolarHBondContact O-N 2.78Å
745P49.3Very low52.6Low127 Ų127137.4 Ų137.483%0.82581%0.805SS**PPolyproline II helixtrans-62.8127.4177.326.4-33.7000110.4G747P745-G747 PolarHBondContact O-N 3.19Å; P745-G747 VanDerWaalsContact O-N 3.15Å
746K59.5Low52.2Low209 Ų209137.9 Ų137.991%0.90981%0.81SS**PPolyproline II helixtrans-57.2118176.1-174.6175.2-176.9175.70109.5G744 S748G744-K746 PolarHBondContact O-N 2.78Å; K746-S748 PolarHBondContact O-N 3.23Å
747G53Low52.2Low72 Ų72139.8 Ų139.874%0.74281%0.812SS**PPolyproline II helixtrans-53.6130.7-167.800000114P745P745-G747 PolarHBondContact O-N 3.19Å; P745-G747 VanDerWaalsContact O-N 3.15Å
748S48.8Very low51.9Low118 Ų118139.6 Ų139.683%0.82581%0.811SS**PPolyproline II helixtrans-66140.6171.4430000110.5K746 G750K746-S748 PolarHBondContact O-N 3.23Å; S748-G750 PolarHBondContact O-N 2.94Å
749K56.8Low51.7Low205 Ų205139.2 Ų139.289%0.89181%0.807SS**PPolyproline II helixtrans-65.9120.5172.3-177177.3-179.3177.60108.2E751K749-E751 PolarHBondContact O-N 2.81Å
750G51.8Low51.5Low69 Ų69140.7 Ų140.771%0.71181%0.811SS**PPolyproline II helixtrans-53136.4-173.900000113.2S748S748-G750 PolarHBondContact O-N 2.94Å
751E47.6Very low51.1Low192 Ų192144 Ų14490%0.89781%0.813SS**PPolyproline II helixtrans-65.2144.6177.8-62.2-175144.300110.7K749 G753K749-E751 PolarHBondContact O-N 2.81Å; E751-G753 PolarHBondContact O-N 2.74Å
752R54.7Low50.9Low242 Ų242142.9 Ų142.991%0.91380%0.802SS**PPolyproline II helixtrans-70.1117.3174.9-180-178.4-68.2173.3-2.2108.2
753G51.8Low50.5Low61 Ų61138.9 Ų138.963%0.62980%0.799SS**PPolyproline II helixtrans-53.5147.3176.800000112.7E751E751-G753 PolarHBondContact O-N 2.74Å
754Y45.4Very low50.4Low226 Ų226138 Ų13889%0.88680%0.795SS**PPolyproline II helixtrans-52.5145.5176.6-64.7-89.4000111.5G756Y754-G756 PolarHBondContact O-N 2.76Å
755P56.9Low50Low125 Ų125138 Ų13881%0.81280%0.795SS**PPolyproline II helixtrans-53.4128.4163.5-21.533.1000109.2
756G48.5Very low49.7Very low66 Ų66140.3 Ų140.368%0.6880%0.8SS**PPolyproline II helixtrans-59.1145.1174.800000110.5Y754Y754-G756 PolarHBondContact O-N 2.76Å
757I47.6Very low49.2Very low163 Ų163139.4 Ų139.484%0.83680%0.799SS**PPolyproline II helixtrans-48.6129.4163.52.2174.7000107.8G759I757-G759 PolarHBondContact O-N 2.84Å
758P48.9Very low48.8Very low123 Ų123139.1 Ų139.180%0.79980%0.795SS**PPolyproline II helixtrans-53.7116.7164.3-22.833.8000107.1E760P758-E760 PolarHBondContact O-N 3.09Å
759G47.8Very low48.6Very low67 Ų67140.9 Ų140.969%0.69179%0.794SS**PPolyproline II helixtrans-57.1142.2-177.200000109.9I757 K761I757-G759 PolarHBondContact O-N 2.84Å; G759-K761 PolarHBondContact O-N 3.04Å
760E43.8Very low48.5Very low192 Ų192136.6 Ų136.690%0.89779%0.787SS**PPolyproline II helixtrans-50.3128.3165.9-65.4177.9133.900107.5P758 G762P758-E760 PolarHBondContact O-N 3.09Å; E760-G762 VanDerWaalsContact C-N 3.33Å; E760-G762 PolarHBondContact O-N 2.91Å
761K47.3Very low48.1Very low182 Ų182136.6 Ų136.679%0.79179%0.787SS**  trans-61.3105.5173.3-177.9-156.7171.9-163.80105.4G759 D763G759-K761 PolarHBondContact O-N 3.04Å; K761-D763 PolarHBondContact O-N 2.87Å
762G49Very low48.1Very low56 Ų56135 Ų13558%0.57778%0.783SS**  trans-51.5142.2-175.900000111E760E760-G762 VanDerWaalsContact C-N 3.33Å; E760-G762 PolarHBondContact O-N 2.91Å
763D45.2Very low48Very low161 Ų161128.9 Ų128.986%0.86178%0.775SS**  trans-48.5145170-58.8-60.2000109.6K761 G765K761-D763 PolarHBondContact O-N 2.87Å; D763-G765 PolarHBondContact O-N 2.9Å
764E51Low47.9Very low172 Ų172129.4 Ų129.480%0.80478%0.781SS**  trans-59.3114.5172.3-70.3-176.916600108.1L766E764-L766 PolarHBondContact O-N 2.82Å
765G45Very low47.9Very low70 Ų70123.5 Ų123.572%0.72278%0.778SS**  trans-55129.7-168.700000111D763 Q767D763-G765 PolarHBondContact O-N 2.9Å; G765-Q767 PolarHBondContact O-N 2.67Å
766L43.4Very low48Very low175 Ų175123.5 Ų123.592%0.91678%0.778SS**  trans-43.5118.4179.7-72170.8000110.1E764 G768E764-L766 PolarHBondContact O-N 2.82Å; L766-G768 PolarHBondContact O-N 2.96Å; L766-G768 VanDerWaalsContact O-N 3.14Å
767Q48.7Very low48.2Very low191 Ų191123 Ų12389%0.89377%0.773SS**PPolyproline II helixtrans-53123.5-178.9-171.4177.929.100109.1G765 I769G765-Q767 PolarHBondContact O-N 2.67Å; Q767-I769 PolarHBondContact O-N 2.9Å
768G43.8Very low48.2Very low65 Ų65121 Ų12167%0.6777%0.771SS**PPolyproline II helixtrans-52.6123.3-169.400000111.9L766 P770L766-G768 PolarHBondContact O-N 2.96Å; L766-G768 VanDerWaalsContact O-N 3.14Å; G768-P770 VanDerWaalsContact O-CD 3.3Å; G768-P770 WeakPolarHBondContact O-CD 3.18Å; G768-P770 VanDerWaalsContact O-N 3.17Å
769I46Very low48.1Very low155 Ų155119.8 Ų119.880%0.79576%0.761SS**PPolyproline II helixtrans-54.1118.5-174.3-55.4171000109.3Q767 G771Q767-I769 PolarHBondContact O-N 2.9Å; I769-G771 PolarHBondContact O-N 2.74Å
770P54.7Low48.3Very low116 Ų116118.9 Ų118.975%0.75375%0.751SS**PPolyproline II helixtrans-58.5127.8172.8-24.935.6000110.2G768 I772G768-P770 VanDerWaalsContact O-CD 3.3Å; G768-P770 WeakPolarHBondContact O-CD 3.18Å; G768-P770 VanDerWaalsContact O-N 3.17Å; P770-I772 PolarHBondContact O-N 2.83Å
771G43.6Very low48.6Very low69 Ų69116 Ų11671%0.71175%0.749SS**PPolyproline II helixtrans-57.3130-173.900000112.4I769 P773I769-G771 PolarHBondContact O-N 2.74Å; G771-P773 WeakPolarHBondContact O-CD 3.41Å
772I46.8Very low48.8Very low157 Ų157113.2 Ų113.281%0.80575%0.75SS**  trans-60.8115.8-170.1-54.1170.4000111.1P770P770-I772 PolarHBondContact O-N 2.83Å
773P53.7Low48.7Very low114 Ų114114 Ų11474%0.7476%0.759SS**PPolyproline II helixtrans-70.5139.9168.2-15.932.7000110.3G771G771-P773 WeakPolarHBondContact O-CD 3.41Å
774G48.4Very low48.9Very low73 Ų73115.2 Ų115.275%0.75376%0.764SS**PPolyproline II helixtrans-61.4141.1-174.500000114P776G774-P776 WeakPolarHBondContact O-CD 3.33Å
775A46.3Very low48.6Very low101 Ų101114.8 Ų114.884%0.83577%0.766SS**PPolyproline II helixtrans-72.8126-172.900000113.6
776P57.9Low49.1Very low125 Ų125114.4 Ų114.481%0.81276%0.763SS**PPolyproline II helixtrans-69159166.1-19.334000112.8G774G774-P776 WeakPolarHBondContact O-CD 3.33Å
777G53.6Low49Very low55 Ų55116.6 Ų116.657%0.56776%0.759SS**PPolyproline II helixtrans-70.5158.5-172.400000116T779G777-T779 PolarHBondContact O-N 2.87Å
778P46.9Very low49.1Very low122 Ų122113.5 Ų113.579%0.79275%0.753SS**  trans-85.696.2-16633.4-36.2000114.1
779T48.1Very low49.3Very low98 Ų98113.3 Ų113.360%0.60175%0.751SS**PPolyproline II helixtrans-66.3136.2171.7-62.10000112.1P386 G777P386-T779 HydrophobicContact CB-CG2 4.42Å; G777-T779 PolarHBondContact O-N 2.87Å
780G51.2Low49Very low47 Ų47112.7 Ų112.749%0.48574%0.744SS.*PPolyproline II helixtrans-67.5161.3-169.700000115.6P782G780-P782 VanDerWaalsContact O-CD 3.31Å; G780-P782 WeakPolarHBondContact O-CD 3.46Å
781P49.5Very low49.3Very low131 Ų131113.2 Ų113.285%0.85175%0.748SS**PPolyproline II helixtrans-82.6121.1-161.831-35.6000115
782P52.3Low49.7Very low124 Ų124113 Ų11381%0.80575%0.745SS**PPolyproline II helixtrans-77.6162.2159.9-9.129.1000111G780G780-P782 VanDerWaalsContact O-CD 3.31Å; G780-P782 WeakPolarHBondContact O-CD 3.46Å
783G47.1Very low49.9Very low74 Ų74111.6 Ų111.676%0.76375%0.747SS**PPolyproline II helixtrans-59.7156.9-166.700000117.1L785G783-L785 PolarHBondContact O-N 3.38Å
784L49.3Very low50.2Low185 Ų185113 Ų11397%0.96975%0.753SS**  trans-63.694.4-179.6-71.9169.5000112.6
785L44.7Very low50.1Low164 Ų164112.6 Ų112.686%0.85975%0.749SS**  trans-62.8140.5161.4-171.267.5000109.7G783 R787G783-L785 PolarHBondContact O-N 3.38Å; L785-R787 PolarHBondContact O-N 3.21Å
786G54.8Low50.3Low62 Ų62112.7 Ų112.764%0.63975%0.75SS**  trans-55.8126.5-178.200000112.3T788G786-T788 PolarHBondContact O-N 3.45Å
787R41.3Very low50.4Low221 Ų221116.5 Ų116.583%0.83475%0.754SS**  trans-64.5104.8-174.2-169.6-177.3-168.2-160.74110.8L785L785-R787 PolarHBondContact O-N 3.21Å
788T51.8Low50.1Low125 Ų125117.1 Ų117.177%0.76776%0.76SS**PPolyproline II helixtrans-54.1141.3174.7-36.90000110.6G786 H790G786-T788 PolarHBondContact O-N 3.45Å; T788-H790 PolarHBondContact O-N 2.04Å
789G48.3Very low50.1Low62 Ų62120.5 Ų120.564%0.63977%0.766SS**PPolyproline II helixtrans-57135.6-18000000111.8
790H39.8Very low50.7Low141 Ų141123.8 Ų123.865%0.65377%0.771SS**PPolyproline II helixtrans-66.4132.2173.44.6-67.7000108.2T788 G792T788-H790 PolarHBondContact O-N 2.04Å; H790-G792 PolarHBondContact O-N 3.37Å
791P59.9Low50.7Low128 Ų128124.4 Ų124.483%0.83178%0.778SS**PPolyproline II helixtrans-53131.4172.4-26.535.2000110.4
792G52.1Low50.8Low63 Ų63123.8 Ų123.865%0.64978%0.777SS**PPolyproline II helixtrans-60.6142.9177.100000110.7H790 T794H790-G792 PolarHBondContact O-N 3.37Å; G792-T794 PolarHBondContact O-N 3.29Å
793P50.5Low50.9Low129 Ų129124 Ų12484%0.83877%0.771SS**PPolyproline II helixtrans-60.4135.2178.626.2-34.2000110.2G795P793-G795 PolarHBondContact O-N 3.35Å
794T59.4Low51Low142 Ų142123.5 Ų123.587%0.87177%0.766SS**PPolyproline II helixtrans-56.4122.9178.2-52.90000109.7G792 A796G792-T794 PolarHBondContact O-N 3.29Å; T794-A796 PolarHBondContact O-N 2.97Å
795G48.2Very low50.9Low66 Ų66120.5 Ų120.568%0.6876%0.758SS**PPolyproline II helixtrans-58.3135.1-178.300000111.9P793 K797P793-G795 PolarHBondContact O-N 3.35Å; G795-K797 PolarHBondContact O-N 3.29Å
796A49.5Very low51.6Low103 Ų103118.6 Ų118.685%0.85176%0.755SS**PPolyproline II helixtrans-59.1129.5178.700000110.5T794 G798T794-A796 PolarHBondContact O-N 2.97Å; A796-G798 PolarHBondContact O-N 3.2Å
797K59.8Low51.4Low205 Ų205119.1 Ų119.189%0.89176%0.76SS**PPolyproline II helixtrans-62.8118.1173.7-177.8-179.8178.7-178.90108.2G795 E799G795-K797 PolarHBondContact O-N 3.29Å; K797-E799 PolarHBondContact O-N 3.49Å
798G48.1Very low51.7Low68 Ų68118 Ų11870%0.70176%0.761SS**PPolyproline II helixtrans-54.4133.5-176.700000112.2A796A796-G798 PolarHBondContact O-N 3.2Å
799E47.3Very low52Low193 Ų193118 Ų11890%0.90276%0.763SS**PPolyproline II helixtrans-62.8135.2178.3-63.5-176.1153.500110.2K797 G801K797-E799 PolarHBondContact O-N 3.49Å; E799-G801 PolarHBondContact O-N 3.06Å
800K59.8Low52Low166 Ų166118 Ų11872%0.72276%0.763SS**PPolyproline II helixtrans-66.4118.3171.2-173.3-157.8175.1-141.70107.2S802 D803K800-S802 PolarHBondContact O-N 2.65Å; K800-D803 IonicContact NZ-OD1 2.87Å; K800-D803 IonicContact NZ-OD2 3.81Å; K800-D803 PolarHBondContact NZ-OD2 2.81Å
801G50.8Low52.4Low61 Ų61117 Ų11763%0.62977%0.77SS**PPolyproline II helixtrans-50.5133.8179.200000111.6E799 D803E799-G801 PolarHBondContact O-N 3.06Å; G801-D803 PolarHBondContact O-N 3.17Å
802S51.4Low52.5Low117 Ų117117 Ų11782%0.81877%0.769SS**PPolyproline II helixtrans-60.6125.7-178.756.30000111K800 G804K800-S802 PolarHBondContact O-N 2.65Å; S802-G804 PolarHBondContact O-N 2.68Å
803D55.9Low52.4Low130 Ų130117 Ų11770%0.69577%0.769SS**PPolyproline II helixtrans-57.1132.4173.4-65.7-68.3000110K800 G801K800-D803 IonicContact NZ-OD1 2.87Å; K800-D803 IonicContact NZ-OD2 3.81Å; K800-D803 PolarHBondContact NZ-OD2 2.81Å; G801-D803 PolarHBondContact O-N 3.17Å
804G47.4Very low52.1Low62 Ų62114.8 Ų114.864%0.63976%0.755SS**PPolyproline II helixtrans-64150.5-17300000112.9S802S802-G804 PolarHBondContact O-N 2.68Å
805P48.6Very low51.8Low123 Ų123113.9 Ų113.980%0.79975%0.751SS**PPolyproline II helixtrans-59.1139-179.525.6-34.3000110.5G807P805-G807 PolarHBondContact O-N 3.03Å
806P58.8Low51.6Low124 Ų124114.1 Ų114.181%0.80575%0.754SS**PPolyproline II helixtrans-52.6135.3179.7-28.835.6000112.5K808P806-K808 PolarHBondContact O-N 3.09Å
807G49.9Very low51.4Low72 Ų72116.9 Ų116.974%0.74275%0.753SS**PPolyproline II helixtrans-55.9131.9176.300000110.7P805P805-G807 PolarHBondContact O-N 3.03Å
808K48.8Very low50.6Low199 Ų199112.9 Ų112.987%0.86575%0.747SS**PPolyproline II helixtrans-57.7133179.6-65.1-175.9179.9-178.20109.5P806 G810P806-K808 PolarHBondContact O-N 3.09Å; K808-G810 PolarHBondContact O-N 3.24Å
809P58.3Low50Low123 Ų123118.4 Ų118.480%0.79975%0.752SS**PPolyproline II helixtrans-53.1140.8173-26.835.1000111.4
810G48Very low49.7Very low62 Ų62117 Ų11764%0.63975%0.751SS**PPolyproline II helixtrans-61.6150.1174.100000111.3K808K808-G810 PolarHBondContact O-N 3.24Å
811P47.1Very low48.7Very low122 Ų122117.7 Ų117.779%0.79276%0.757SS**PPolyproline II helixtrans-60.5144.7175.427.1-34.3000110.5
812P62.9Low47.9Very low126 Ų126118 Ų11882%0.81876%0.76SS**PPolyproline II helixtrans-56.3142.3173.8-24.734.6000111.8
813G49.1Very low47Very low63 Ų63120.8 Ų120.865%0.64977%0.766SS**PPolyproline II helixtrans-62150.9176.600000112.4
814P44.9Very low46.1Very low83 Ų83118.4 Ų118.454%0.53977%0.773SS.*PPolyproline II helixtrans-61.3139.7-178.724.9-33.6000111.5
815P53.9Low45.3Very low123 Ų123124.4 Ų124.480%0.79979%0.786SS**PPolyproline II helixtrans-59.6140.4177.6-2534.7000112.9
816G43Very low45Very low71 Ų71123.2 Ų123.273%0.73278%0.781SS**PPolyproline II helixtrans-61.6137.517500000112.1P818G816-P818 WeakPolarHBondContact O-CD 3.04Å
817I44.6Very low44Very low162 Ų162122.3 Ų122.383%0.83178%0.777SS**PPolyproline II helixtrans-70.9123.5-176.7-49.4173.8000109.6F819I817-F819 PolarHBondContact O-N 2.87Å
818P43.4Very low43.3Very low120 Ų120125.9 Ų125.978%0.77978%0.778SS**PPolyproline II helixtrans-67.6124.3171.7-18.632.7000110.8G816G816-P818 WeakPolarHBondContact O-CD 3.04Å
819F36.4Very low42.8Very low184 Ų184126.4 Ų126.481%0.80778%0.777SS**PPolyproline II helixtrans-88.3130.1171.3-159.2-91.2000108.9I817 E821I817-F819 PolarHBondContact O-N 2.87Å; F819-E821 HydrophobicContact CD1-CG 4.35Å; F819-E821 HydrophobicContact CE1-CG 4.05Å
820N40.7Very low41.7Very low164 Ų164129.8 Ų129.888%0.87778%0.779SS**  trans-143.4135.9171.5-121.88.5000108.8
821E37.7Very low41.1Very low180 Ų180134.8 Ų134.884%0.84179%0.789SS**  trans-87.1150.8-164.5-60.6177.7118.200113.4F819F819-E821 HydrophobicContact CD1-CG 4.35Å; F819-E821 HydrophobicContact CE1-CG 4.05Å
822G34.3Very low40.5Very low68 Ų68138.6 Ų138.670%0.70179%0.793SS**  trans-179.682.3177.700000116.3
823N34.1Very low39.2Very low175 Ų175136.3 Ų136.394%0.93679%0.792SS**  trans59.2117.3159.9-61.1-20.8000119.7
824G35.3Very low38.5Very low81 Ų81137 Ų13784%0.83580%0.8SS**  trans172.884.8167.600000116.1
825M31.2Very low38Very low188 Ų188139.5 Ų139.593%0.92681%0.813SS**  trans-62.6151.8164.9-85.3176.1175.600111.2
826S42.2Very low37.6Very low98 Ų98141.6 Ų141.669%0.68582%0.818SS**  cis-159.6148.513-112.10000113.9
827S37.2Very low37.4Very low104 Ų104143.5 Ų143.573%0.72782%0.815SS**  trans38.9121.9140.4-55.20000122.7
828L36.7Very low37.3Very low147 Ų147141 Ų14177%0.7781%0.809SS**  -158.9145.8104-130.964.5000113.6
829Y36.9Very low37Very low211 Ų211140.9 Ų140.983%0.82781%0.811SS**  trans56.5102.9172.5-66.7-68000121.6
830K35.9Very low37.4Very low194 Ų194141.7 Ų141.784%0.84381%0.81SS**  trans-65.9167.8154.7-68.2172.5170.5168.80110.9
831I36.3Very low37.9Very low167 Ų167139.6 Ų139.686%0.85681%0.806SS**  -156.9155.992-89.7156.2000112.3
832K33.7Very low38.5Very low201 Ų201134.1 Ų134.187%0.87480%0.798SS**  trans-50.9155.5-178.9-49.4164.9-177.8176.30114
833G34.7Very low39Very low78 Ų78136.7 Ų136.780%0.80480%0.802SS**  cis139.5147.2-7.800000114.6
834G34.9Very low40Very low78 Ų78134.4 Ų134.480%0.80480%0.796SS**  trans90.1113.1159.700000118.7
835V35.5Very low40.6Very low136 Ų136133.4 Ų133.482%0.82479%0.787SS**  trans-178.2144.6136.8144.50000108V837V835-V837 HydrophobicContact CG1-CG2 4.37Å
836N44.4Very low41.5Very low167 Ų167130.2 Ų130.289%0.89378%0.78SS**  trans-84.2128.9179.1-70.9-51.7000112.1
837V38.8Very low42.4Very low111 Ų111131.6 Ų131.667%0.67379%0.787SS**  trans-142138.8163.1-175.50000108.3V835V835-V837 HydrophobicContact CG1-CG2 4.37Å
838P42.6Very low43Very low109 Ų109129.5 Ų129.571%0.70878%0.781SS**  trans-63.8146.4-176.2-24.835.5000114.6Y840P838-Y840 PolarHBondContact O-N 2.95Å
839S37.9Very low43.9Very low118 Ų118128.7 Ų128.783%0.82579%0.785SS**  trans-73.4109.4170.753.80000111.1
840Y44.3Very low44.8Very low201 Ų201128.1 Ų128.179%0.78879%0.786SS**PPolyproline II helixtrans-65.9144.6173.4-73.3-94.4000111.4P838P838-Y840 PolarHBondContact O-N 2.95Å
841P51.8Low45.5Very low120 Ų120121.8 Ų121.878%0.77978%0.776SS**PPolyproline II helixtrans-56.1144.4163.9-22.333.7000110.8
842G48.9Very low46.2Very low65 Ų65121.1 Ų121.167%0.6778%0.775SS**PPolyproline II helixtrans-57.4145.2174.400000111.5
843P45.1Very low47.6Very low121 Ų121117.3 Ų117.379%0.78677%0.77SS**PPolyproline II helixtrans-59143.4-178.225.1-34.3000110.7G845P843-G845 PolarHBondContact O-N 2.85Å
844P55Low48.5Very low127 Ų127116.4 Ų116.483%0.82576%0.761SS**PPolyproline II helixtrans-52.3136.3174.9-26.634.8000111.2
845G49.5Very low49.6Very low61 Ų61118.8 Ų118.863%0.62976%0.762SS**PPolyproline II helixtrans-54.7143.6177.100000111.1P843P843-G845 PolarHBondContact O-N 2.85Å
846P50Low50.7Low121 Ų121119 Ų11979%0.78676%0.764SS**PPolyproline II helixtrans-56.3138.1-175.623.5-33.8000110.3G848P846-G848 PolarHBondContact O-N 3.23Å
847P60.2Low51.1Low127 Ų127114 Ų11483%0.82575%0.752SS**PPolyproline II helixtrans-51.3128.4176.9-27.735.1000110.6
848G49.2Very low51.6Low60 Ų60117.6 Ų117.662%0.61976%0.761SS**PPolyproline II helixtrans-53.8142.4179.700000110.7P846 K850P846-G848 PolarHBondContact O-N 3.23Å; G848-K850 PolarHBondContact O-N 2.88Å; G848-K850 VanDerWaalsContact O-N 3.11Å
849P57.3Low52.8Low130 Ų130118.2 Ų118.284%0.84477%0.765SS**PPolyproline II helixtrans-54123.9-174.722.1-33.3000109.6G851P849-G851 PolarHBondContact O-N 2.97Å
850K55.7Low53.5Low198 Ų198116.1 Ų116.186%0.86176%0.762SS**PPolyproline II helixtrans-55.3117.9177.1-180-178.8178.3-178.70107.5G848 D852G848-K850 PolarHBondContact O-N 2.88Å; G848-K850 VanDerWaalsContact O-N 3.11Å; K850-D852 PolarHBondContact O-N 3.43Å
851G50Low53.7Low61 Ų61111.4 Ų111.463%0.62976%0.764SS**PPolyproline II helixtrans-51.9138.7-178.800000110.9P849P849-G851 PolarHBondContact O-N 2.97Å
852D50.7Low53.6Low154 Ų154114.4 Ų114.482%0.82477%0.77SS**PPolyproline II helixtrans-50.7139.3-176.3-65.7-65.1000110.8K850 G854K850-D852 PolarHBondContact O-N 3.43Å; D852-G854 PolarHBondContact O-N 2.9Å; D852-G854 VanDerWaalsContact O-N 3.11Å
853P63Low53.6Low120 Ų120114.3 Ų114.378%0.77977%0.769SS**PPolyproline II helixtrans-52123.7174.2-25.134.2000109.9
854G53.2Low53.8Low59 Ų59116.6 Ų116.661%0.60877%0.774SS**PPolyproline II helixtrans-52.2140.5176.100000109.9D852 V856D852-G854 PolarHBondContact O-N 2.9Å; D852-G854 VanDerWaalsContact O-N 3.11Å; G854-V856 PolarHBondContact O-N 2.69Å; G854-V856 VanDerWaalsContact O-N 3.17Å
855P58Low54.2Low129 Ų129116 Ų11684%0.83877%0.77SS**PPolyproline II helixtrans-54.4127-174.322.6-33.6000109.5G857P855-G857 PolarHBondContact O-N 3.43Å
856V59.7Low54.1Low140 Ų140116.5 Ų116.585%0.84878%0.775SS**PPolyproline II helixtrans-54.6118.6178.9178.10000107.7G854 E858G854-V856 PolarHBondContact O-N 2.69Å; G854-V856 VanDerWaalsContact O-N 3.17Å; V856-E858 PolarHBondContact O-N 2.89Å
857G51.4Low53.9Low62 Ų62119.2 Ų119.264%0.63978%0.782SS**PPolyproline II helixtrans-54.6134.3-17900000110.3P855P855-G857 PolarHBondContact O-N 3.43Å
858E50.7Low53.5Low186 Ų186122.2 Ų122.287%0.86979%0.785SS**PPolyproline II helixtrans-54.1130.4-177.3-65.6-169.3142.500109.9V856 G860V856-E858 PolarHBondContact O-N 2.89Å; E858-G860 PolarHBondContact O-N 3.24Å; E858-G860 VanDerWaalsContact O-N 3.08Å
859P67.6Low53.5Low123 Ų123122.5 Ų122.580%0.79979%0.788SS**PPolyproline II helixtrans-53.8120.2178.7-27.935.4000110.6A861P859-A861 PolarHBondContact O-N 3.45Å
860G51.7Low52.5Low73 Ų73126.1 Ų126.175%0.75379%0.791SS**PPolyproline II helixtrans-50.4126.5-176.900000110.8E858 M862E858-G860 PolarHBondContact O-N 3.24Å; E858-G860 VanDerWaalsContact O-N 3.08Å; G860-M862 PolarHBondContact O-N 2.74Å
861A49Very low53Low102 Ų102122.4 Ų122.484%0.84379%0.787SS**  trans-52.3113.8-167.200000111.5P859 G863P859-A861 PolarHBondContact O-N 3.45Å; A861-G863 PolarHBondContact O-N 3Å
862M50Low52.9Low184 Ų184123 Ų12391%0.90679%0.794SS**PPolyproline II helixtrans-57.1125179.9-171.1-179.8-65.600109.1G860 L864G860-M862 PolarHBondContact O-N 2.74Å; M862-L864 PolarHBondContact O-N 2.84Å
863G48.9Very low52.7Low63 Ų63123 Ų12365%0.64980%0.799SS**PPolyproline II helixtrans-54.7131.8-177.500000110.9A861 P865A861-G863 PolarHBondContact O-N 3Å; G863-P865 WeakPolarHBondContact O-CD 3.4Å
864L49.3Very low52.3Low169 Ų169127 Ų12789%0.88580%0.804SS**PPolyproline II helixtrans-54123.3179.7-74.5168.8000109.8M862M862-L864 PolarHBondContact O-N 2.84Å
865P63.5Low52.2Low113 Ų113127.6 Ų127.673%0.73481%0.81SS**PPolyproline II helixtrans-55.7141.1172.9-26.135.3000111G863 L867G863-P865 WeakPolarHBondContact O-CD 3.4Å; P865-L867 PolarHBondContact O-N 3.07Å
866G46.4Very low51.2Low72 Ų72129.7 Ų129.774%0.74281%0.814SS**PPolyproline II helixtrans-59.8133.517400000110.7E868G866-E868 VanDerWaalsContact C-N 3.34Å; G866-E868 PolarHBondContact O-N 2.75Å
867L46.5Very low51.2Low179 Ų179134.7 Ų134.794%0.93782%0.818SS**  trans-74.587.3173.2-76167.1000109.7P865P865-L867 PolarHBondContact O-N 3.07Å
868E52.6Low51.1Low189 Ų189134.7 Ų134.788%0.88382%0.818SS**PPolyproline II helixtrans-62.1141.9160.1-73.7-165.2120.900110.1G866G866-E868 VanDerWaalsContact C-N 3.34Å; G866-E868 PolarHBondContact O-N 2.75Å
869G47.8Very low50.9Low66 Ų66132.3 Ų132.368%0.6882%0.818SS**PPolyproline II helixtrans-71.1138.7-174.300000112.5P871G869-P871 WeakPolarHBondContact O-CD 3.32Å
870F37.4Very low50.6Low206 Ų206131.1 Ų131.190%0.90482%0.819SS**PPolyproline II helixtrans-51.7116.8-178.8-63.6-84.6000113.3
871P64.9Low50.4Low120 Ų120130.5 Ų130.578%0.77981%0.812SS**PPolyproline II helixtrans-67.7142.4159.9-14.631.4000109.3G869 V873G869-P871 WeakPolarHBondContact O-CD 3.32Å; P871-V873 PolarHBondContact O-N 3.22Å
872G49.4Very low50.5Low75 Ų75131.1 Ų131.177%0.77381%0.808SS**PPolyproline II helixtrans-63.6133.9-17700000113.2K874G872-K874 PolarHBondContact O-N 2.89Å
873V44.7Very low50.6Low154 Ų154128.4 Ų128.493%0.93380%0.804SS**PPolyproline II helixtrans-63.1117177.2-82.50000111.7P871P871-V873 PolarHBondContact O-N 3.22Å
874K55.8Low50.3Low204 Ų204128.9 Ų128.989%0.88781%0.809SS**PPolyproline II helixtrans-103.4129168.3-175175-179.7176.60108.1G872G872-K874 PolarHBondContact O-N 2.89Å
875G49.7Very low50.2Low71 Ų71129.8 Ų129.873%0.73281%0.813SS**PPolyproline II helixtrans-61.2157.5-165.600000116.3
876D38.8Very low49.7Very low172 Ų172129 Ų12992%0.9282%0.815SS**PPolyproline II helixtrans-65.4146.1-166.9-56.9-71.5000115.1
877R58.3Low49.8Very low246 Ų246129.1 Ų129.193%0.92882%0.817SS**PPolyproline II helixtrans-99129.5171.1-173.2173.5179.6166.6-0.6109.2
878G50.7Low49.7Very low62 Ų62129.9 Ų129.964%0.63982%0.818SS**PPolyproline II helixtrans-59.5156.8-173.400000115.1
879P45.8Very low49.5Very low135 Ų135126.7 Ų126.788%0.87782%0.817SS**PPolyproline II helixtrans-69.2146.5-16928.2-36.2000113.8
880A61.5Low49.8Very low99 Ų99127 Ų12782%0.81882%0.82SS**PPolyproline II helixtrans-81.7152.916700000111.3
881G46.7Very low50.5Low59 Ų59126.8 Ų126.861%0.60882%0.819SS**PPolyproline II helixtrans-79.4165.9-179.300000114.3P883G881-P883 VanDerWaalsContact O-CD 3.29Å; G881-P883 WeakPolarHBondContact O-CD 3.27Å
882P51.8Low50.3Low115 Ų115127.3 Ų127.375%0.74782%0.822SS**PPolyproline II helixtrans-98.6120.9-172.935.3-32000115.1
883P51.3Low50.5Low128 Ų128127.1 Ų127.183%0.83182%0.82SS**  trans-121.8145.7153.436.9-27.3000111.1G881G881-P883 VanDerWaalsContact O-CD 3.29Å; G881-P883 WeakPolarHBondContact O-CD 3.27Å
884G42.6Very low50.8Low73 Ų73124.5 Ų124.575%0.75382%0.815SS**  cis-157.4-177.1-6.900000109.3
885I47.3Very low51.3Low188 Ų188121 Ų12196%0.96481%0.812SS**PPolyproline II helixtrans-72.2147.5-173.5-24.3180000111.9
886A52.9Low51.7Low95 Ų95120.6 Ų120.679%0.78581%0.808SS**PPolyproline II helixtrans-78.8151.5-16500000116
887G50Low52.3Low76 Ų76118.4 Ų118.478%0.78480%0.804SS**PPolyproline II helixtrans-82.3150.3162.500000112.2
888M44.3Very low52.4Low194 Ų194112.8 Ų112.896%0.95680%0.799SS**PPolyproline II helixtrans-79.6142.4-173.3-62.6167.967.800112.9
889S47.8Very low52.8Low122 Ų122113.4 Ų113.485%0.85381%0.805SS**PPolyproline II helixtrans-66.3132.1-178.8-53.90000113.7
890G53.1Low53.1Low72 Ų72113.7 Ų113.774%0.74280%0.804SS**PPolyproline II helixtrans-68.4148.316300000111.8
891K52.5Low53.1Low203 Ų203114.7 Ų114.788%0.88380%0.802SS**PPolyproline II helixtrans-72.7141.6178.2-63.7-178.8-179.11790110.9
892P61.3Low53.7Low131 Ų131115.5 Ų115.585%0.85181%0.811SS**PPolyproline II helixtrans-58.6141.2169.6-23.834.4000112.3
893G54.3Low53.5Low71 Ų71119.1 Ų119.173%0.73282%0.818SS**PPolyproline II helixtrans-73.7154.5171.300000112.3
894A50.8Low54.1Low99 Ų99119 Ų11982%0.81882%0.817SS**PPolyproline II helixtrans-70.2141.817900000112
895P65.6Low54.8Low129 Ų129119.3 Ų119.384%0.83882%0.82SS**PPolyproline II helixtrans-61.3142.8172.1-23.234.3000112.8
896G58.8Low54.9Low63 Ų63120.1 Ų120.165%0.64982%0.82SS**PPolyproline II helixtrans-74.1159.3173.800000113.3
897P51.8Low54.9Low126 Ų126127.1 Ų127.182%0.81883%0.826SS**PPolyproline II helixtrans-70.5149.9-178.229.4-35.2000112.7
898P60.3Low55.3Low129 Ų129126.3 Ų126.384%0.83882%0.817SS**PPolyproline II helixtrans-62.9146.5174.1-22.334.1000113.5
899G57.5Low55.6Low74 Ų74123.5 Ų123.576%0.76381%0.814SS**PPolyproline II helixtrans-76.4154.4173.800000113.4
900V52.1Low55.9Low141 Ų141125 Ų12586%0.85582%0.818SS**PPolyproline II helixtrans-82.3136.9-175.6-158.40000111.2
901P62.3Low55.5Low120 Ų120124.4 Ų124.478%0.77981%0.811SS**PPolyproline II helixtrans-65.6149.6171.2-21.234000113.2
902G58.7Low54.8Low76 Ų76122.7 Ų122.778%0.78481%0.812SS**PPolyproline II helixtrans-88.6156.1171.700000113.2
903E48Very low54.2Low192 Ų192124.2 Ų124.290%0.89781%0.811SS**PPolyproline II helixtrans-82.6153.2-171.2-62-170.6121.400114.5
904P63.1Low53.4Low126 Ų126124 Ų12482%0.81881%0.809SS**PPolyproline II helixtrans-79144.9176.7-10.528.5000113.5
905G58.6Low52.5Low79 Ų79129.2 Ų129.281%0.81481%0.813SS**PPolyproline II helixtrans-79.9153.7172.900000114.4
906E48Very low52.7Low205 Ų205128.8 Ų128.896%0.95881%0.811SS**PPolyproline II helixtrans-80.8171.1-170.8-61-167.4122.100115.7
907R53.2Low51.9Low241 Ų241129.2 Ų129.291%0.90982%0.816SS**PPolyproline II helixtrans-103.8131.8-171.3-176.1-166.1-64.31790.4112.7
908G59Low51.2Low59 Ų59129.8 Ų129.861%0.60882%0.819SS**PPolyproline II helixtrans-76.9159.7171.800000115.4
909P51.2Low50.7Low136 Ų136132.9 Ų132.988%0.88382%0.823SS**  trans-83.9-178.3-173.335.2-37.6000115.1
910V53.4Low50.5Low154 Ų154132.7 Ų132.793%0.93382%0.82SS**  trans-127.6144.2-170.6175.60000112
911G44.7Very low49.8Very low58 Ų58132.1 Ų132.160%0.59882%0.82SS**  trans143145.4171.500000111.3
912D38.8Very low49.2Very low168 Ų168132.4 Ų132.490%0.89882%0.824SS**  cis-152.3-177-4.5-96.6-41.5000111.7
913I48.2Very low49.2Very low162 Ų162132 Ų13283%0.83182%0.819SS**  trans-91.9148-162.5-59.6162.9000114.1
914G38.1Very low48.6Very low68 Ų68132.8 Ų132.870%0.70182%0.82SS**  trans-168.256.317700000122.1
915F32Very low48.1Very low207 Ų207132.6 Ų132.691%0.90882%0.819SS**  trans58.4161156.5-73-87.7000122.3
916P68.3Low48.1Very low120 Ų120132.3 Ų132.378%0.77982%0.816SS**  trans-125.1164.1-164.842.5-29.1000118.1
917G41.9Very low47.4Very low73 Ų73130.8 Ų130.875%0.75381%0.813SS**  trans103.9166.2160.200000116
918P37.8Very low47.2Very low138 Ų138127.6 Ų127.690%0.89681%0.814SS**  cis-111.9-162-2.741.9-30.6000113
919E50.1Low46.7Very low194 Ų194127.9 Ų127.991%0.90782%0.816SS**  trans-101.2155.3-173.2-170.4177.5-149.500114
920G53Low46Very low69 Ų69131.1 Ų131.171%0.71182%0.817SS**  trans97.6152170.800000114.7
921P38.1Very low45.6Very low130 Ų130131.8 Ų131.884%0.84482%0.815SS**  cis-118.2168.327.340.9-32.1000115.6
922S49.7Very low45.4Very low126 Ų126132.3 Ų132.388%0.88182%0.82SS**  trans-76.2135.8167-165.60000111
923G57.8Low45.3Very low66 Ų66132.3 Ų132.368%0.6882%0.818SS**  trans-86-169.5-165.200000116.3
924K35Very low46Very low209 Ų209130.8 Ų130.891%0.90982%0.819SS**  trans-150.6155.2169.5-103.8156.2-173.1174.90111.1
925P54.3Low46.1Very low123 Ų123131.2 Ų131.280%0.79982%0.824SS**  trans-110.3148.2-155.29.912.6000115.7
926G57.7Low46.1Very low73 Ų73126.7 Ų126.775%0.75382%0.824SS**  trans73.1124.4130.400000120.7
927I33.2Very low45.2Very low173 Ų173130.6 Ų130.689%0.88783%0.832SS**  trans-153132.1152.619.7173.3000110.9
928N48.1Very low45.2Very low173 Ų173130.1 Ų130.193%0.92583%0.827SS**  trans-77.6161.7161.4-71.2-12.5000109
929G50.2Low45.1Very low65 Ų65130.9 Ų130.967%0.6782%0.822SS**  cis156.3174.33.600000108.8
930K35Very low44.7Very low204 Ų204130.5 Ų130.589%0.88782%0.822SS**  trans166161.1154.558.3-167.6178.9-1780114.1
931D45.3Very low44Very low169 Ų169130.4 Ų130.490%0.90482%0.822SS**  trans-106.1175-166-44.7-93.3000116
932G40.7Very low44.7Very low68 Ų68134.1 Ų134.170%0.70183%0.825SS**  trans125.4149.716200000115.3
933I37.2Very low44.7Very low168 Ų168134.4 Ų134.486%0.86282%0.824SS**  cis-149.7151.6-2-57.9-178.2000108.5
934P62Low44Very low130 Ų130134.8 Ų134.884%0.84483%0.827SS**  trans-103.2169.8-172.38.813.4000116.9
935G40.1Very low44.8Very low78 Ų78133 Ų13380%0.80483%0.828SS**  trans175.1152.8164.900000111.9
936A33.7Very low44.1Very low111 Ų111139.4 Ų139.492%0.91784%0.836SS**  cis-152.31741.300000112
937Q47.6Very low43.7Very low203 Ų203139.1 Ų139.195%0.94983%0.833SS**  trans-145143.9-174.6178.8-173.3-2.300112.5
938G42.5Very low44.9Very low62 Ų62137.2 Ų137.264%0.63983%0.832SS**  trans153161169.200000114.4
939I36.3Very low44.5Very low155 Ų155139.4 Ų139.480%0.79583%0.833SS**  cis-166146.9-8.234.6167.8000111.4
940M41.2Very low44Very low185 Ų185139.8 Ų139.891%0.91184%0.837SS**  trans51.6149.7138.3-156.6154.856.400121.9
941G37.5Very low44.1Very low68 Ų68137.6 Ų137.670%0.70183%0.83SS**  cis-167.4-143.113.300000116.7
942K54.1Low44.6Very low207 Ų207139.1 Ų139.190%0.982%0.823SS**  trans-117.8-170.6-165.2-47.8-175.7-179.3-176.60112.8
943P49.3Very low44.9Very low133 Ų133138.9 Ų138.986%0.86482%0.821SS**  cis-141.3-168.9-2.145.3-26.2000117
944G43.8Very low44.9Very low73 Ų73138.9 Ų138.975%0.75382%0.823SS**  trans149.6139.2156.300000117.7
945D51.8Low44.3Very low172 Ų172142.2 Ų142.292%0.9283%0.827SS**  trans-126.8158.2-174.7-62.5-64.3000115.2
946R39.7Very low44.8Very low257 Ų257141.6 Ų141.697%0.9782%0.821SS**  trans135.6130.8132.8-169.7177.4-168.3174.64.1116.9
947G48.9Very low44.7Very low68 Ų68144.4 Ų144.470%0.70182%0.818SS**  trans146.8119.2158.800000115.2
948P57.4Low45.2Very low133 Ų133140.8 Ų140.886%0.86481%0.813SS**  trans-99135.6-175.735.2-31.7000114.6
949K39.2Very low45.4Very low218 Ų218140.9 Ų140.995%0.94881%0.813SS**  trans146.3117.1140-176.2175.3-178.5-179.40113.3
950G41Very low45.4Very low73 Ų73141.5 Ų141.575%0.75382%0.818SS**  trans173.7131.1170.900000108.5
951E37Very low45.1Very low158 Ų158143.6 Ų143.674%0.73882%0.816SS**  trans-91.1151.5-169.7-60.7-164.5163.700112.5
952R56Low45.6Very low201 Ų201143.5 Ų143.576%0.75882%0.816SS**  cis178.9120.4-16.1168.8-168.8-69.4116.35.1106.6
953G46.6Very low45Very low63 Ų63139.5 Ų139.565%0.64981%0.81SS**  cis-178.6108.9-10.200000112.2
954D36.3Very low44.6Very low169 Ų169142 Ų14290%0.90481%0.81SS**  trans53.2147.2147.6-47.6-31000124.5
955Q49.9Very low44.9Very low199 Ų199141.7 Ų141.793%0.9381%0.808SS**  trans-100.783.8177.5-174-175.3-3.700112.3
956G51.2Low44.3Very low65 Ų65140.2 Ų140.267%0.6780%0.795SS**  trans63.9137.9149.800000120.5
957I30.5Very low44.6Very low170 Ų170138.5 Ų138.587%0.87279%0.789SS**  trans-122.3118.6163.6-60.5-178.2000108.5
958P59.4Low44.5Very low128 Ų128138.2 Ų138.283%0.83179%0.786SS**  trans-77.8162.8177.5-1429.7000113.5
959G46.3Very low44.1Very low63 Ų63141.9 Ų141.965%0.64979%0.788SS**  trans13098.6160.900000114.2
960D35.8Very low44.7Very low168 Ų168137.5 Ų137.590%0.89878%0.782SS**  trans61.5149.9157.5-50.7-27.3000116.8
961R35.6Very low45Very low229 Ų229137.2 Ų137.286%0.86478%0.779SS**  cis-163.2144.837.9-163.4175178.5160.2-2.8109.3
962G48.7Very low45.2Very low67 Ų67138.3 Ų138.369%0.69179%0.789SS**  trans-60.3132.3161.700000109.3
963P41.3Very low45Very low122 Ų122135.1 Ų135.179%0.79279%0.792SS**  -147.8122.198.234.8-17.4000114.1
964Q40.3Very low44.7Very low185 Ų185135.8 Ų135.886%0.86480%0.799SS**  trans-144.855.2138.5-153.1162.15.700112.2
965G49.3Very low45.4Very low67 Ų67136.2 Ų136.269%0.69180%0.798SS**  trans-66.5134145.200000108.9
966E40.8Very low45Very low142 Ų142136.6 Ų136.666%0.66480%0.797SS**  trans82.2135.1164.7-57.4-143.1179.100121.7
967R44.6Very low44.6Very low220 Ų220137.1 Ų137.183%0.8380%0.802SS**  trans59.9109.5133.5-162.3-175.5-51.8-160.43.2118.3
968G47.8Very low45.5Very low63 Ų63133.4 Ų133.465%0.64980%0.796SS**  cis132.8129.3-8.100000113.3
969K49.3Very low44.3Very low209 Ų209135.9 Ų135.991%0.90980%0.801SS**  trans68.5164.4-171.2-50.2177.2-175.8177.60111.8
970P50.2Low44.1Very low126 Ų126136.1 Ų136.182%0.81880%0.803SS**  cis-129.8-173.55.143.3-27.5000115
971G48Very low45Very low67 Ų67133.8 Ų133.869%0.69180%0.797SS**  trans96.586.2136.400000120.4
972L40.7Very low45.4Very low182 Ų182131 Ų13195%0.95380%0.798SS**  trans63.3144.9142.4-67.5172.1000122.3
973T51.7Low45Very low133 Ų133130.8 Ų130.882%0.81680%0.795SS**PPolyproline II helixtrans-71.9123171.3-39.40000111.7
974G40.4Very low45.4Very low77 Ų77130.6 Ų130.679%0.79479%0.794SS**PPolyproline II helixtrans-90.1120.6168.900000111.9
975M51.3Low46.2Very low178 Ų178127.7 Ų127.788%0.87779%0.791SS**PPolyproline II helixtrans-77.9145.1-174.6-6216866.900112.9
976K41.5Very low46Very low208 Ų208128.1 Ų128.190%0.90480%0.796SS**  trans-126.3103161.5-170.2174.2-176.6177.40112.1
977G42.6Very low46.5Very low76 Ų76129.3 Ų129.378%0.78481%0.806SS**  trans66.797.9155.100000117.4
978A49.5Very low46.6Very low91 Ų91128.9 Ų128.975%0.75281%0.81SS**  trans-95.5128159.400000110.1
979I35.3Very low46.7Very low181 Ų181129.3 Ų129.393%0.92882%0.815SS**  trans-176133.3162.2-92.9144000104.8
980G40.6Very low46.6Very low67 Ų67125.2 Ų125.269%0.69181%0.813SS**  cis-147.7173.1-9.600000110.2
981P56.2Low46.6Very low119 Ų119128 Ų12877%0.77382%0.817SS**  trans-95.7177.4-166.538.5-37.6000114.8
982I44Very low46.6Very low172 Ų172128.1 Ų128.188%0.88282%0.818SS**  trans83140.9169.2-59.7173.8000113.9
983G40Very low47.1Very low61 Ų61124.4 Ų124.463%0.62981%0.807SS**  cis-141.7-178.115.400000117.9
984P48.6Very low47.7Very low119 Ų119123.8 Ų123.877%0.77381%0.805SS**PPolyproline II helixtrans-77.3167.9-169.731.6-36.4000114.7
985P58.7Low48.2Very low123 Ų123123.8 Ų123.880%0.79981%0.805SS**PPolyproline II helixtrans-76.2149.6-164.3-16.932.3000115.6
986G44.4Very low48.1Very low77 Ų77124 Ų12479%0.79480%0.804SS**PPolyproline II helixtrans-93.7119.8163.800000111.7
987N51.8Low48.8Very low166 Ų166123.1 Ų123.189%0.88880%0.803SS**PPolyproline II helixtrans-69.8128.6175.3-66.9-31.9000110.6
988K47.1Very low49.5Very low211 Ų211122.2 Ų122.292%0.91779%0.794SS**PPolyproline II helixtrans-92.9126.1175.7-159.3168.8-172.9175.30110.3
989G48.6Very low50Low72 Ų72123.8 Ų123.874%0.74280%0.797SS**PPolyproline II helixtrans-71.2169.4-166.900000116.4
990S46.8Very low51.3Low123 Ų123121.3 Ų121.386%0.8679%0.792SS**PPolyproline II helixtrans-63.4149.3178.547.90000113.6
991M51.2Low52Low186 Ų186121.5 Ų121.592%0.91679%0.794SS**PPolyproline II helixtrans-67.8137.6177-172.4152.361.500111.6
992G48.2Very low51.9Low69 Ų69121 Ų12171%0.71179%0.794SS**PPolyproline II helixtrans-66.7151-179.900000113.4
993S50.7Low52.6Low103 Ų103118.9 Ų118.972%0.7279%0.791SS**PPolyproline II helixtrans-68.4151.1178.848.10000112.8
994P64.4Low52.9Low120 Ų120119.3 Ų119.378%0.77980%0.795SS**PPolyproline II helixtrans-54.7147.3172-25.635.2000112.8
995G51.3Low53.1Low77 Ų77121.4 Ų121.479%0.79480%0.799SS**PPolyproline II helixtrans-63.4142.9-17900000113
996H48.2Very low52.6Low183 Ų183121.2 Ų121.285%0.84780%0.797SS**PPolyproline II helixtrans-64.6142-179.6-65.8-84.9000112.2
997Q55.8Low52.3Low189 Ų189121 Ų12188%0.88380%0.795SS**PPolyproline II helixtrans-62.6137.8168.9-170172.310.600109.7
998G58.6Low52.1Low58 Ų58120.4 Ų120.460%0.59879%0.79SS**PPolyproline II helixtrans-60.5149.3177.100000112
999P60.3Low52.1Low124 Ų124116.4 Ų116.481%0.80579%0.785SS**PPolyproline II helixtrans-60.7146.7-17926.2-34.7000111.1G1001P999-G1001 PolarHBondContact O-N 2.83Å
1000P61.7Low51.7Low128 Ų128117.2 Ų117.283%0.83179%0.785SS**PPolyproline II helixtrans-54.4139.5173.4-25.234.6000111.6
1001G56.2Low51.8Low72 Ų72118.3 Ų118.374%0.74278%0.782SS**PPolyproline II helixtrans-58.9139.117400000111.1P999P999-G1001 PolarHBondContact O-N 2.83Å
1002S52.8Low51.7Low109 Ų109114.6 Ų114.676%0.76278%0.78SS**PPolyproline II helixtrans-55.1138.7176.251.90000111.1G1004S1002-G1004 PolarHBondContact O-N 3.33Å
1003P59.3Low52.2Low126 Ų126115.9 Ų115.982%0.81877%0.774SS**PPolyproline II helixtrans-51.2133.5174.5-27.435.2000111.8
1004G45.8Very low52.8Low70 Ų70113.6 Ų113.672%0.72276%0.758SS**PPolyproline II helixtrans-61.9145.4175.200000111.2S1002S1002-G1004 PolarHBondContact O-N 3.33Å
1005I53.8Low52.7Low164 Ų164115.2 Ų115.284%0.84175%0.753SS**PPolyproline II helixtrans-56.2132.1173.2-59.3172.2000108.1G1007I1005-G1007 PolarHBondContact O-N 2.82Å; I1005-G1007 VanDerWaalsContact O-N 3.13Å
1006P48.4Very low53.5Low118 Ų118116.7 Ų116.777%0.76674%0.739SS**PPolyproline II helixtrans-54.1121178-27.835.7000111.5I1008P1006-I1008 PolarHBondContact O-N 3.32Å
1007G38.2Very low54.4Low72 Ų72113.3 Ų113.374%0.74272%0.724SS**PPolyproline II helixtrans-62.2129.5174.100000110.2I1005I1005-G1007 PolarHBondContact O-N 2.82Å; I1005-G1007 VanDerWaalsContact O-N 3.13Å
1008I47.3Very low55.2Low155 Ų155108.1 Ų108.180%0.79570%0.702SS**PPolyproline II helixtrans-56.3136.6167-54.8171.6000107.1P1006 A1010P1006-I1008 PolarHBondContact O-N 3.32Å; I1008-A1010 PolarHBondContact O-N 3.02Å
1009P46.1Very low55.6Low126 Ų126110.3 Ų110.382%0.81869%0.694SS**  trans-6984177.428.7-35.3000110.4D1011P1009-D1011 PolarHBondContact O-N 3.42Å
1010A40.4Very low56.2Low89 Ų89110.8 Ų110.874%0.73668%0.684SS**  trans-72.1122.1166.700000108.7I1008I1008-A1010 PolarHBondContact O-N 3.02Å
1011D49.6Very low57.1Low147 Ų147112 Ų11279%0.78667%0.673SS**  trans-0.3125.5173.9-55.6-49.3000118.1P1009 V1013P1009-D1011 PolarHBondContact O-N 3.42Å; D1011-V1013 PolarHBondContact O-N 2.78Å
1012A48.6Very low58.1Low108 Ų108113 Ų11389%0.89366%0.661SS**  trans-6689.8176.200000111.5S1014A1012-S1014 PolarHBondContact O-N 2.92Å
1013V58Low59.1Low96 Ų96112.3 Ų112.358%0.58265%0.648SS**  trans-50123.1173.4-178.50000109.2D1011 E1017 I1018D1011-V1013 PolarHBondContact O-N 2.78Å; V1013-E1017 HydrophobicContact CG1-CB 3.86Å; V1013-I1018 HydrophobicContact CG1-CG1 4.03Å
1014S64.6Low59.9Low54 Ų54111.8 Ų111.838%0.37864%0.635SS.*  trans-67.3148.9-171.2-178.60000111.5A1012 E1016 E1017 I1018A1012-S1014 PolarHBondContact O-N 2.92Å; S1014-E1016 PolarHBondContact O-N 2.88Å; S1014-E1016 PolarHBondContact OG-N 3.16Å; S1014-E1017 PolarHBondContact N-OE2 2.94Å; S1014-E1017 WeakPolarHBondContact O-CA 2.98Å; S1014-E1017 WeakPolarHBondContact O-CB 3.48Å; S1014-E1017 PolarHBondContact O-N 2.87Å; S1014-I1018 PolarHBondContact O-N 3.45Å
1015F62.4Low61.7Low155 Ų155111 Ų11168%0.6861%0.612SS**Hα-helixtrans-57.5-32.9172.3-166.3-101000111.3K1019F1015-K1019 WeakPolarHBondContact O-CB 3.3Å; F1015-K1019 PolarHBondContact O-N 3.19Å
1016E67.8Low63Low107 Ų107107.6 Ų107.650%0.560%0.599SS.*Hα-helixtrans-65.6-31.5171.4-101.650.1-124.500113.5S1014 K1019 K1020S1014-E1016 PolarHBondContact O-N 2.88Å; S1014-E1016 PolarHBondContact OG-N 3.16Å; E1016-K1019 IonicContact OE1-NZ 3.23Å; E1016-K1019 PolarHBondContact OE1-NZ 3.24Å; E1016-K1020 WeakPolarHBondContact O-CB 3.35Å; E1016-K1020 PolarHBondContact O-N 3.28Å
1017E67.1Low64.3Low112 Ų112107 Ų10752%0.52359%0.589SS.*Hα-helixtrans-76-41.5175.5-71.1178.312000111.7V1013 S1014 K1019 K1020 Y1021V1013-E1017 HydrophobicContact CG1-CB 3.86Å; S1014-E1017 PolarHBondContact N-OE2 2.94Å; S1014-E1017 WeakPolarHBondContact O-CA 2.98Å; S1014-E1017 WeakPolarHBondContact O-CB 3.48Å; S1014-E1017 PolarHBondContact O-N 2.87Å; E1017-K1019 VanDerWaalsContact C-N 3.33Å; E1017-K1019 PolarHBondContact O-N 3.37Å; E1017-K1020 PolarHBondContact O-N 2.82Å; E1017-Y1021 WeakPolarHBondContact O-CB 3.26Å; E1017-Y1021 PolarHBondContact O-N 2.71Å
1018I72.9Confident66.4Low81 Ų81108.5 Ų108.542%0.41557%0.572SS.*Hα-helixtrans-60.7-45.6172.9-63.1174.5000110V1013 S1014 K1020 Y1021 I1022V1013-I1018 HydrophobicContact CG1-CG1 4.03Å; S1014-I1018 PolarHBondContact O-N 3.45Å; I1018-K1020 PolarHBondContact O-N 3.01Å; I1018-Y1021 PolarHBondContact O-N 3.31Å; I1018-I1022 HydrophobicContact CG2-CD1 3.84Å; I1018-I1022 WeakPolarHBondContact O-CB 3.28Å; I1018-I1022 VanDerWaalsContact O-CG1 3.29Å; I1018-I1022 WeakPolarHBondContact O-CG1 3.39Å; I1018-I1022 PolarHBondContact O-N 2.83Å
1019K66Low67.9Low103 Ų103104.2 Ų104.245%0.44855%0.55SS..Hα-helixtrans-64.8-36.4176.6-177.5174.6168.3-167.40112.6F1015 E1016 E1017 N1023F1015-K1019 WeakPolarHBondContact O-CB 3.3Å; F1015-K1019 PolarHBondContact O-N 3.19Å; E1016-K1019 IonicContact OE1-NZ 3.23Å; E1016-K1019 PolarHBondContact OE1-NZ 3.24Å; E1017-K1019 VanDerWaalsContact C-N 3.33Å; E1017-K1019 PolarHBondContact O-N 3.37Å; K1019-N1023 WeakPolarHBondContact O-CB 3.37Å; K1019-N1023 VanDerWaalsContact O-CG 3.25Å; K1019-N1023 PolarHBondContact O-N 3.29Å; K1019-N1023 PolarHBondContact O-ND2 3.35Å
1020K74.1Confident69.5Low134 Ų134104 Ų10458%0.58354%0.536SS*.Hα-helixtrans-67.9-43.6173-176-178.8177.2-172.40111.4E1016 E1017 I1018 N1023 Q1024E1016-K1020 WeakPolarHBondContact O-CB 3.35Å; E1016-K1020 PolarHBondContact O-N 3.28Å; E1017-K1020 PolarHBondContact O-N 2.82Å; I1018-K1020 PolarHBondContact O-N 3.01Å; K1020-N1023 PolarHBondContact O-N 2.76Å; K1020-Q1024 WeakPolarHBondContact O-CB 3.48Å; K1020-Q1024 WeakPolarHBondContact O-CG 3.22Å; K1020-Q1024 PolarHBondContact O-N 2.72Å
1021Y78.9Confident71.1Confident155 Ų155105.8 Ų105.861%0.60853%0.53SS*.Hα-helixtrans-62-47.6175.8-176.1-99.4000111.6E1017 I1018 N1023 Q1024 E1025E1017-Y1021 WeakPolarHBondContact O-CB 3.26Å; E1017-Y1021 PolarHBondContact O-N 2.71Å; I1018-Y1021 PolarHBondContact O-N 3.31Å; Y1021-N1023 PolarHBondContact O-N 2.78Å; Y1021-Q1024 PolarHBondContact O-N 2.85Å; Y1021-E1025 WeakPolarHBondContact O-CB 3.29Å; Y1021-E1025 PolarHBondContact O-N 2.77Å
1022I77.9Confident72.3Confident93 Ų93103.4 Ų103.448%0.47751%0.514SS..Hα-helixtrans-58.9-45.7175.2-69.3167000111I1018 E1025 V1026I1018-I1022 HydrophobicContact CG2-CD1 3.84Å; I1018-I1022 WeakPolarHBondContact O-CB 3.28Å; I1018-I1022 VanDerWaalsContact O-CG1 3.29Å; I1018-I1022 WeakPolarHBondContact O-CG1 3.39Å; I1018-I1022 PolarHBondContact O-N 2.83Å; I1022-E1025 PolarHBondContact O-N 3.46Å; I1022-V1026 HydrophobicContact CG2-CG2 4.38Å; I1022-V1026 WeakPolarHBondContact O-CB 3.41Å; I1022-V1026 VanDerWaalsContact O-CG2 3.28Å; I1022-V1026 WeakPolarHBondContact O-CG2 3.47Å; I1022-V1026 PolarHBondContact O-N 2.9Å
1023N73.6Confident73.5Confident93 Ų93107.3 Ų107.350%0.49751%0.505SS..Hα-helixtrans-65.4-39.3177.8-76.2-28.1000112.6K1019 K1020 Y1021 L1027K1019-N1023 WeakPolarHBondContact O-CB 3.37Å; K1019-N1023 VanDerWaalsContact O-CG 3.25Å; K1019-N1023 PolarHBondContact O-N 3.29Å; K1019-N1023 PolarHBondContact O-ND2 3.35Å; K1020-N1023 PolarHBondContact O-N 2.76Å; Y1021-N1023 PolarHBondContact O-N 2.78Å; N1023-L1027 WeakPolarHBondContact O-CB 3.43Å; N1023-L1027 WeakPolarHBondContact O-CG 3.37Å; N1023-L1027 PolarHBondContact O-N 2.85Å
1024Q75.9Confident74.1Confident115 Ų115106.7 Ų106.754%0.53750%0.497SS..Hα-helixtrans-65.8-40.9174.8-75.7-174-100.500111.6K1020 Y1021 L1027 R1028K1020-Q1024 WeakPolarHBondContact O-CB 3.48Å; K1020-Q1024 WeakPolarHBondContact O-CG 3.22Å; K1020-Q1024 PolarHBondContact O-N 2.72Å; Y1021-Q1024 PolarHBondContact O-N 2.85Å; Q1024-L1027 PolarHBondContact O-N 2.76Å; Q1024-R1028 WeakPolarHBondContact O-CB 3.17Å; Q1024-R1028 PolarHBondContact O-N 2.74Å
1025E83.3Confident74.3Confident55 Ų55106.8 Ų106.826%0.25750%0.501SS..Hα-helixtrans-74.5-34.7-179.2-167.861.7-168.800112.1Y1021 I1022 R1028 I1029Y1021-E1025 WeakPolarHBondContact O-CB 3.29Å; Y1021-E1025 PolarHBondContact O-N 2.77Å; I1022-E1025 PolarHBondContact O-N 3.46Å; E1025-R1028 VanDerWaalsContact CD-NE 3.3Å; E1025-R1028 PolarHBondContact O-N 3.48Å; E1025-R1028 IonicContact OE1-CZ 3.76Å; E1025-R1028 VanDerWaalsContact OE1-CZ 3.31Å; E1025-R1028 IonicContact OE1-NE 3.92Å; E1025-R1028 PolarHBondContact OE1-NE 3.25Å; E1025-R1028 VanDerWaalsContact OE1-NE 3.11Å; E1025-R1028 IonicContact OE1-NH2 3.73Å; E1025-R1028 PolarHBondContact OE1-NH2 2.72Å; E1025-R1028 WeakPolarHBondContact OE2-CD 3.19Å; E1025-R1028 IonicContact OE2-CZ 2.74Å; E1025-R1028 IonicContact OE2-NE 3.63Å; E1025-R1028 PolarHBondContact OE2-NE 3.29Å; E1025-R1028 IonicContact OE2-NH2 3.02Å; E1025-I1029 HydrophobicContact CG-CD1 4.14Å; E1025-I1029 WeakPolarHBondContact O-CB 3.43Å; E1025-I1029 VanDerWaalsContact O-CG1 3.25Å; E1025-I1029 WeakPolarHBondContact O-CG1 3.16Å; E1025-I1029 PolarHBondContact O-N 2.81Å
1026V81.9Confident74.6Confident91 Ų91103.2 Ų103.255%0.55249%0.492SS*.Hα-helixtrans-63-42.81691680000111I1022 F1030I1022-V1026 HydrophobicContact CG2-CG2 4.38Å; I1022-V1026 WeakPolarHBondContact O-CB 3.41Å; I1022-V1026 VanDerWaalsContact O-CG2 3.28Å; I1022-V1026 WeakPolarHBondContact O-CG2 3.47Å; I1022-V1026 PolarHBondContact O-N 2.9Å; V1026-F1030 VanDerWaalsContact O-CB 3.28Å; V1026-F1030 WeakPolarHBondContact O-CB 3.45Å; V1026-F1030 PolarHBondContact O-N 2.83Å
1027L75.4Confident74.5Confident107 Ų107104.2 Ų104.256%0.5650%0.495SS*.Hα-helixtrans-63.6-43.8172.8-82.9163.9000111.8N1023 Q1024 I1029 F1030 E1031N1023-L1027 WeakPolarHBondContact O-CB 3.43Å; N1023-L1027 WeakPolarHBondContact O-CG 3.37Å; N1023-L1027 PolarHBondContact O-N 2.85Å; Q1024-L1027 PolarHBondContact O-N 2.76Å; L1027-I1029 PolarHBondContact O-N 2.76Å; L1027-F1030 CarbonylContact O-C 3.51Å; L1027-F1030 WeakPolarHBondContact O-CB 3.46Å; L1027-F1030 PolarHBondContact O-N 2.92Å; L1027-F1030 VanDerWaalsContact O-N 3.13Å; L1027-E1031 WeakPolarHBondContact O-CG 3.32Å; L1027-E1031 PolarHBondContact O-N 3.11Å
1028R82.4Confident74.1Confident103 Ų103104.3 Ų104.339%0.38950%0.498SS..Hα-helixtrans-60.5-45.1178.2-161.4-173.97467.410.6111.8Q1024 E1025 F1030 E1031 E1032Q1024-R1028 WeakPolarHBondContact O-CB 3.17Å; Q1024-R1028 PolarHBondContact O-N 2.74Å; E1025-R1028 VanDerWaalsContact CD-NE 3.3Å; E1025-R1028 PolarHBondContact O-N 3.48Å; E1025-R1028 IonicContact OE1-CZ 3.76Å; E1025-R1028 VanDerWaalsContact OE1-CZ 3.31Å; E1025-R1028 IonicContact OE1-NE 3.92Å; E1025-R1028 PolarHBondContact OE1-NE 3.25Å; E1025-R1028 VanDerWaalsContact OE1-NE 3.11Å; E1025-R1028 IonicContact OE1-NH2 3.73Å; E1025-R1028 PolarHBondContact OE1-NH2 2.72Å; E1025-R1028 WeakPolarHBondContact OE2-CD 3.19Å; E1025-R1028 IonicContact OE2-CZ 2.74Å; E1025-R1028 IonicContact OE2-NE 3.63Å; E1025-R1028 PolarHBondContact OE2-NE 3.29Å; E1025-R1028 IonicContact OE2-NH2 3.02Å; R1028-F1030 VanDerWaalsContact C-N 3.33Å; R1028-E1031 PolarHBondContact O-N 2.03Å; R1028-E1032 IonicContact CZ-OE1 2.68Å; R1028-E1032 IonicContact CZ-OE2 2.74Å; R1028-E1032 IonicContact NH1-OE1 3.75Å; R1028-E1032 PolarHBondContact NH1-OE1 3.04Å; R1028-E1032 IonicContact NH1-OE2 4Å; R1028-E1032 PolarHBondContact NH1-OE2 3.43Å; R1028-E1032 IonicContact NH2-OE2 2.65Å; R1028-E1032 WeakPolarHBondContact O-CB 3.37Å; R1028-E1032 WeakPolarHBondContact O-CG 3Å; R1028-E1032 PolarHBondContact O-N 2.99Å
1029I79.4Confident73.5Confident64 Ų64104 Ų10433%0.32850%0.503SS..Hα-helixtrans-67.5-34175.5-68.6165.9000111.2E1025 L1027 R1033E1025-I1029 HydrophobicContact CG-CD1 4.14Å; E1025-I1029 WeakPolarHBondContact O-CB 3.43Å; E1025-I1029 VanDerWaalsContact O-CG1 3.25Å; E1025-I1029 WeakPolarHBondContact O-CG1 3.16Å; E1025-I1029 PolarHBondContact O-N 2.81Å; L1027-I1029 PolarHBondContact O-N 2.76Å; I1029-R1033 VanDerWaalsContact O-CB 3.3Å; I1029-R1033 WeakPolarHBondContact O-CB 3.03Å; I1029-R1033 VanDerWaalsContact O-CG 3.25Å; I1029-R1033 WeakPolarHBondContact O-CG 3.47Å; I1029-R1033 PolarHBondContact O-N 2.7Å
1030F79.9Confident73Confident121 Ų121106.3 Ų106.353%0.53152%0.516SS..Hα-helixtrans-69.7-41.1175-168.8-99.6000111.7V1026 L1027 R1028 R1033 M1034V1026-F1030 VanDerWaalsContact O-CB 3.28Å; V1026-F1030 WeakPolarHBondContact O-CB 3.45Å; V1026-F1030 PolarHBondContact O-N 2.83Å; L1027-F1030 CarbonylContact O-C 3.51Å; L1027-F1030 WeakPolarHBondContact O-CB 3.46Å; L1027-F1030 PolarHBondContact O-N 2.92Å; L1027-F1030 VanDerWaalsContact O-N 3.13Å; R1028-F1030 VanDerWaalsContact C-N 3.33Å; F1030-R1033 PolarHBondContact O-N 3.09Å; F1030-M1034 HydrophobicContact CD1-CE 3.8Å; F1030-M1034 HydrophobicContact CD1-CG 4.16Å; F1030-M1034 HydrophobicContact CD1-SD 4.15Å; F1030-M1034 HydrophobicContact CE1-CE 3.58Å; F1030-M1034 HydrophobicContact CE1-CG 3.9Å; F1030-M1034 HydrophobicContact CE1-SD 3.48Å; F1030-M1034 WeakPolarHBondContact CE1-SD 3.33Å; F1030-M1034 HydrophobicContact CZ-CG 4.25Å; F1030-M1034 HydrophobicContact CZ-SD 4.04Å; F1030-M1034 WeakPolarHBondContact O-CB 2.95Å; F1030-M1034 WeakPolarHBondContact O-CG 3.37Å; F1030-M1034 PolarHBondContact O-N 3.4Å
1031E73.6Confident71.9Confident128 Ų128104.8 Ų104.860%0.59851%0.513SS*.Hα-helixtrans-67.7-43173.8-73.3-171.8147.500112.2L1027 R1028 R1033 M1034 A1035L1027-E1031 WeakPolarHBondContact O-CG 3.32Å; L1027-E1031 PolarHBondContact O-N 3.11Å; R1028-E1031 PolarHBondContact O-N 2.03Å; E1031-R1033 VanDerWaalsContact C-N 3.34Å; E1031-R1033 PolarHBondContact O-N 3.39Å; E1031-M1034 PolarHBondContact O-N 3.49Å; E1031-A1035 VanDerWaalsContact O-CB 3.27Å; E1031-A1035 WeakPolarHBondContact O-CB 3.22Å; E1031-A1035 PolarHBondContact O-N 3.01Å
1032E74.9Confident70Confident97 Ų97105.8 Ų105.845%0.45352%0.521SS..Hα-helixtrans-57.3-47.1171.7-80.2-177.9152.700111.1R1028 A1035 V1036R1028-E1032 IonicContact CZ-OE1 2.68Å; R1028-E1032 IonicContact CZ-OE2 2.74Å; R1028-E1032 IonicContact NH1-OE1 3.75Å; R1028-E1032 PolarHBondContact NH1-OE1 3.04Å; R1028-E1032 IonicContact NH1-OE2 4Å; R1028-E1032 PolarHBondContact NH1-OE2 3.43Å; R1028-E1032 IonicContact NH2-OE2 2.65Å; R1028-E1032 WeakPolarHBondContact O-CB 3.37Å; R1028-E1032 WeakPolarHBondContact O-CG 3Å; R1028-E1032 PolarHBondContact O-N 2.99Å; E1032-A1035 PolarHBondContact O-N 2.88Å; E1032-V1036 WeakPolarHBondContact O-CG2 3.46Å; E1032-V1036 PolarHBondContact O-N 2.87Å
1033R73.1Confident68.3Low190 Ų190107.8 Ų107.872%0.71753%0.532SS*.Hα-helixtrans-69.4-35.6179-73.5179.3177.5-154.90112.7I1029 F1030 E1031 F1037I1029-R1033 VanDerWaalsContact O-CB 3.3Å; I1029-R1033 WeakPolarHBondContact O-CB 3.03Å; I1029-R1033 VanDerWaalsContact O-CG 3.25Å; I1029-R1033 WeakPolarHBondContact O-CG 3.47Å; I1029-R1033 PolarHBondContact O-N 2.7Å; F1030-R1033 PolarHBondContact O-N 3.09Å; E1031-R1033 VanDerWaalsContact C-N 3.34Å; E1031-R1033 PolarHBondContact O-N 3.39Å; R1033-F1037 VanDerWaalsContact O-CB 3.3Å; R1033-F1037 WeakPolarHBondContact O-CB 3.41Å; R1033-F1037 PolarHBondContact O-N 3.33Å
1034M71.3Confident66.6Low82 Ų82107.9 Ų107.940%0.40454%0.537SS..Hα-helixtrans-68.8-37.7171.8-77.9-153.4-5700112F1030 E1031 F1037 L1038F1030-M1034 HydrophobicContact CD1-CE 3.8Å; F1030-M1034 HydrophobicContact CD1-CG 4.16Å; F1030-M1034 HydrophobicContact CD1-SD 4.15Å; F1030-M1034 HydrophobicContact CE1-CE 3.58Å; F1030-M1034 HydrophobicContact CE1-CG 3.9Å; F1030-M1034 HydrophobicContact CE1-SD 3.48Å; F1030-M1034 WeakPolarHBondContact CE1-SD 3.33Å; F1030-M1034 HydrophobicContact CZ-CG 4.25Å; F1030-M1034 HydrophobicContact CZ-SD 4.04Å; F1030-M1034 WeakPolarHBondContact O-CB 2.95Å; F1030-M1034 WeakPolarHBondContact O-CG 3.37Å; F1030-M1034 PolarHBondContact O-N 3.4Å; E1031-M1034 PolarHBondContact O-N 3.49Å; M1034-F1037 PolarHBondContact O-N 2.82Å; M1034-L1038 VanDerWaalsContact O-CB 3.26Å; M1034-L1038 WeakPolarHBondContact O-CB 3.32Å; M1034-L1038 WeakPolarHBondContact O-CG 3.39Å; M1034-L1038 PolarHBondContact O-N 3.3Å
1035A68.3Low64.9Low57 Ų57106.8 Ų106.847%0.47155%0.548SS..Hα-helixtrans-65.8-39.5175.100000111.5E1031 E1032 S1039E1031-A1035 VanDerWaalsContact O-CB 3.27Å; E1031-A1035 WeakPolarHBondContact O-CB 3.22Å; E1031-A1035 PolarHBondContact O-N 3.01Å; E1032-A1035 PolarHBondContact O-N 2.88Å; A1035-S1039 WeakPolarHBondContact O-CB 3.14Å; A1035-S1039 PolarHBondContact O-N 3.39Å; A1035-S1039 PolarHBondContact O-OG 3.11Å
1036V68.3Low62.8Low79 Ų79107.8 Ų107.848%0.47957%0.566SS.*Hα-helixtrans-63.1-44.1169.8171.50000111.1E1032 S1039 Q1040E1032-V1036 WeakPolarHBondContact O-CG2 3.46Å; E1032-V1036 PolarHBondContact O-N 2.87Å; V1036-S1039 WeakPolarHBondContact CA-OG 3.46Å; V1036-S1039 PolarHBondContact O-N 3.45Å; V1036-S1039 PolarHBondContact O-OG 3.25Å; V1036-Q1040 WeakPolarHBondContact O-CG 3.4Å; V1036-Q1040 PolarHBondContact O-N 3.06Å
1037F66.6Low60.5Low129 Ų129110.4 Ų110.457%0.56657%0.574SS**Hα-helixtrans-65.4-42.7178.4-169.8-109.9000112.6R1033 M1034 Q1040 L1041R1033-F1037 VanDerWaalsContact O-CB 3.3Å; R1033-F1037 WeakPolarHBondContact O-CB 3.41Å; R1033-F1037 PolarHBondContact O-N 3.33Å; M1034-F1037 PolarHBondContact O-N 2.82Å; F1037-Q1040 PolarHBondContact O-N 3.37Å; F1037-L1041 HydrophobicContact CD1-CD1 3.73Å; F1037-L1041 HydrophobicContact CE1-CD1 3.65Å; F1037-L1041 HydrophobicContact CE1-CG 4.49Å; F1037-L1041 HydrophobicContact CZ-CD1 4.37Å; F1037-L1041 WeakPolarHBondContact O-CG 3.42Å; F1037-L1041 PolarHBondContact O-N 3.22Å
1038L58.9Low58.8Low113 Ų113113.5 Ų113.559%0.59259%0.59SS**Hα-helixtrans-71-31177.5-70.7167.5000112.7M1034 L1041M1034-L1038 VanDerWaalsContact O-CB 3.26Å; M1034-L1038 WeakPolarHBondContact O-CB 3.32Å; M1034-L1038 WeakPolarHBondContact O-CG 3.39Å; M1034-L1038 PolarHBondContact O-N 3.3Å; L1038-L1041 HydrophobicContact CD2-CD1 4.16Å; L1038-L1041 PolarHBondContact O-N 3.23Å
1039S58.9Low56.7Low75 Ų75112.7 Ų112.752%0.52461%0.606SS.*Hα-helixtrans-73.6-31.2170.457.70000112.7A1035 V1036 K1042A1035-S1039 WeakPolarHBondContact O-CB 3.14Å; A1035-S1039 PolarHBondContact O-N 3.39Å; A1035-S1039 PolarHBondContact O-OG 3.11Å; V1036-S1039 WeakPolarHBondContact CA-OG 3.46Å; V1036-S1039 PolarHBondContact O-N 3.45Å; V1036-S1039 PolarHBondContact O-OG 3.25Å; S1039-K1042 WeakPolarHBondContact O-CB 3.37Å; S1039-K1042 PolarHBondContact O-N 3.29Å
1040Q56.5Low54.6Low152 Ų152113.2 Ų113.271%0.7162%0.619SS**Hα-helixtrans-71.7-29.5169.2-72179.914.600113V1036 F1037 K1042V1036-Q1040 WeakPolarHBondContact O-CG 3.4Å; V1036-Q1040 PolarHBondContact O-N 3.06Å; F1037-Q1040 PolarHBondContact O-N 3.37Å; Q1040-K1042 PolarHBondContact O-N 3.48Å
1041L50.3Low52.6Low101 Ų101117.4 Ų117.453%0.52964%0.641SS.*THydrogen-bonded Turntrans-71.7-1.3170.8-75.8166000113.7F1037 L1038 L1043F1037-L1041 HydrophobicContact CD1-CD1 3.73Å; F1037-L1041 HydrophobicContact CE1-CD1 3.65Å; F1037-L1041 HydrophobicContact CE1-CG 4.49Å; F1037-L1041 HydrophobicContact CZ-CD1 4.37Å; F1037-L1041 WeakPolarHBondContact O-CG 3.42Å; F1037-L1041 PolarHBondContact O-N 3.22Å; L1038-L1041 HydrophobicContact CD2-CD1 4.16Å; L1038-L1041 PolarHBondContact O-N 3.23Å; L1041-L1043 VanDerWaalsContact C-N 3.26Å; L1041-L1043 PolarHBondContact O-N 3.13Å
1042K39.4Very low51Low177 Ų177115 Ų11577%0.7764%0.643SS**  trans-78.375.9178.7-152163.8-168.8169.70111S1039 Q1040S1039-K1042 WeakPolarHBondContact O-CB 3.37Å; S1039-K1042 PolarHBondContact O-N 3.29Å; Q1040-K1042 PolarHBondContact O-N 3.48Å
1043L42.9Very low49Very low134 Ų134119 Ų11970%0.70266%0.661SS**  trans-40.2126.3174.1-75.4162.3000112L1041 A1045 M1047L1041-L1043 VanDerWaalsContact C-N 3.26Å; L1041-L1043 PolarHBondContact O-N 3.13Å; L1043-A1045 PolarHBondContact O-N 3.39Å; L1043-M1047 HydrophobicContact CD2-CE 4.25Å
1044P37.8Very low47.4Very low95 Ų95113.3 Ų113.362%0.61766%0.661SS**  trans-60.8126.8167.5-22.133.4000110.1A1046 M1047P1044-A1046 PolarHBondContact O-N 3.49Å; P1044-M1047 PolarHBondContact O-N 3.43Å
1045A39.1Very low45.7Very low92 Ų92120.8 Ų120.876%0.7669%0.685SS**THydrogen-bonded Turntrans-65.18.4179.500000114.6L1043L1043-A1045 PolarHBondContact O-N 3.39Å
1046A39.7Very low44.5Very low77 Ų77124.1 Ų124.164%0.63670%0.702SS**THydrogen-bonded Turntrans-81-20.2174.300000113.8P1044 L1048P1044-A1046 PolarHBondContact O-N 3.49Å; A1046-L1048 VanDerWaalsContact C-N 3.34Å
1047M34.6Very low43.5Very low145 Ų145123.2 Ų123.271%0.71471%0.709SS**THydrogen-bonded Turntrans-82.9-4.1179.3-68.8-145.8-57.400114.9L1043 P1044L1043-M1047 HydrophobicContact CD2-CE 4.25Å; P1044-M1047 PolarHBondContact O-N 3.43Å
1048L38Very low42.5Very low172 Ų172123 Ų12390%0.90172%0.72SS**THydrogen-bonded Turntrans-100.44.6174.8-73.8170.1000113.6A1046A1046-L1048 VanDerWaalsContact C-N 3.34Å
1049A39.5Very low42Very low87 Ų87122.4 Ų122.472%0.71972%0.723SS**SBendtrans-117.134.1177.800000112.6
1050A35.1Very low41.8Very low74 Ų74121.1 Ų121.161%0.61272%0.721SS**  trans-135.413.4-174.600000115.8A1052A1050-A1052 PolarHBondContact O-N 3.3Å; A1050-A1052 VanDerWaalsContact O-N 3.13Å
1051Q38.6Very low41.3Very low210 Ų210123.7 Ų123.798%0.98173%0.73SS**THydrogen-bonded Turntrans-81.769.1156.8-80.3-165.2-11.100109.7
1052A38.9Very low41.7Very low78 Ų78124.7 Ų124.765%0.64574%0.736SS**THydrogen-bonded Turntrans-137.7-15.2-179.600000114.5A1050A1050-A1052 PolarHBondContact O-N 3.3Å; A1050-A1052 VanDerWaalsContact O-N 3.13Å
1053H33.7Very low42.1Very low181 Ų181118.9 Ų118.984%0.83873%0.726SS**SBendtrans-121.8112167.3-64-58.9000108.9
1054G38.4Very low42.2Very low70 Ų70119.6 Ų119.672%0.72273%0.73SS**PPolyproline II helixtrans-60.7154.7175.200000111.1
1055R36.1Very low42.8Very low239 Ų239120.9 Ų120.990%0.90274%0.738SS**PPolyproline II helixtrans-53.6136.7165.2-67.2-177178.1-169.8-0.5107.9G1057R1055-G1057 PolarHBondContact O-N 3.49Å
1056P43Very low43.3Very low127 Ų127119.6 Ų119.683%0.82573%0.734SS**PPolyproline II helixtrans-48.9133.7178.7-29.135.3000110.7
1057G47.3Very low43.6Very low60 Ų60122 Ų12262%0.61974%0.743SS**PPolyproline II helixtrans-55.3149.8175.200000110.3R1055R1055-G1057 PolarHBondContact O-N 3.49Å
1058P45.3Very low44.1Very low123 Ų123121.1 Ų121.180%0.79975%0.749SS**PPolyproline II helixtrans-53.3136.7173.525.1-33.9000108.6G1060P1058-G1060 PolarHBondContact O-N 3.27Å
1059P49.7Very low44.5Very low102 Ų102116.3 Ų116.366%0.66274%0.741SS**PPolyproline II helixtrans-51.1143.8-176.3-29.235.2000112.3
1060G54.1Low44.4Very low47 Ų47120 Ų12049%0.48575%0.748SS.*PPolyproline II helixtrans-53.1158.5163.700000110.3P1058 D1062 G1063P1058-G1060 PolarHBondContact O-N 3.27Å; G1060-D1062 PolarHBondContact O-N 3.46Å; G1060-G1063 PolarHBondContact O-N 3.02Å
1061K46.8Very low44.8Very low207 Ų207122.4 Ų122.490%0.976%0.758SS**THydrogen-bonded Turntrans-62.4-3-171.9-65.3-177178178.90114.4
1062D56.8Low44.8Very low121 Ų121115.7 Ų115.765%0.64774%0.744SS**THydrogen-bonded Turntrans-102.8-6.8-174.8-22.1-64.2000112.2G1060 L1064G1060-D1062 PolarHBondContact O-N 3.46Å; D1062-L1064 PolarHBondContact O-N 2.81Å
1063G49.3Very low44.8Very low55 Ų55118.5 Ų118.557%0.56776%0.756SS**  trans83.71.8161.900000118.2G1060G1060-G1063 PolarHBondContact O-N 3.02Å
1064L45.2Very low45Very low149 Ų149118 Ų11878%0.7875%0.754SS**PPolyproline II helixtrans-102.5140.9177.8-67.5176.9000112.9D1062D1062-L1064 PolarHBondContact O-N 2.81Å
1065P49Very low44.8Very low122 Ų122118.2 Ų118.279%0.79276%0.756SS**PPolyproline II helixtrans-68142.7169.1-17.731.7000112.3
1066G51Low44.9Very low65 Ų65116.7 Ų116.767%0.6775%0.752SS**PPolyproline II helixtrans-71.2159170.300000112.9
1067P44.6Very low44.5Very low127 Ų127122 Ų12283%0.82576%0.755SS**PPolyproline II helixtrans-68150.1-179.228.7-35.1000112.5
1068P46.8Very low43.9Very low128 Ų128122.4 Ų122.483%0.83176%0.76SS**PPolyproline II helixtrans-65151.2172-1932.6000112.8
1069G46.2Very low43.4Very low71 Ų71125.5 Ų125.573%0.73276%0.764SS**PPolyproline II helixtrans-88.1161.3170.400000113.2
1070D36.5Very low42.6Very low163 Ų163128.4 Ų128.487%0.87277%0.766SS**PPolyproline II helixtrans-70.1145.1-170.4-65.2-61.2000114.9
1071P42.7Very low41.5Very low126 Ų126129.3 Ų129.382%0.81878%0.776SS**PPolyproline II helixtrans-76144.1177.9-15.831.4000114.7
1072G40.6Very low40.9Very low68 Ų68126.1 Ų126.170%0.70176%0.764SS**PPolyproline II helixtrans-80.5162.6170.500000114.5
1073P37.5Very low39.9Very low137 Ų137131.4 Ų131.489%0.8978%0.775SS**PPolyproline II helixtrans-78.3158.3-171.231.4-36.5000115.3
1074Q38.9Very low39Very low172 Ų172132.4 Ų132.480%0.80479%0.785SS**PPolyproline II helixtrans-94.6158.3179.5-68-177.7-36.400113.9
1075G34.6Very low38.5Very low74 Ų74134.3 Ų134.376%0.76379%0.79SS**  trans-129.4163.4169.800000112.7
1076Y36.5Very low38.5Very low206 Ų206134.4 Ų134.481%0.80879%0.791SS**  trans-131.1133.9-162.7-87.8-82.9000116.4
1077R34.9Very low37.5Very low238 Ų238135 Ų13590%0.89880%0.796SS**  trans71.2136.4133.7-159.1178.1-161.8167.25.7122
1078G35.6Very low37.3Very low70 Ų70137.5 Ų137.572%0.72280%0.801SS**  trans-171.6152.7163.900000114
1079Q33.5Very low36.6Very low188 Ų188135 Ų13588%0.87980%0.798SS**  trans-157.8-175.7177.8-56.9-171.3-25.500109.6
1080K32.8Very low36Very low163 Ų163139.6 Ų139.671%0.70981%0.805SS**  cis-157.2137.57.1176.5-106.8170.6-1680111.4E1082K1080-E1082 IonicContact NZ-OE2 3.14Å; K1080-E1082 PolarHBondContact NZ-OE2 3.49Å
1081G32.3Very low36.6Very low66 Ų66137.8 Ų137.868%0.6880%0.802SS**  trans78.6178.3163.100000116.2
1082E33.7Very low36Very low140 Ų140135.5 Ų135.565%0.65480%0.802SS**  cis-159.5145.7-20.8-148.3172137.200111.1K1080K1080-E1082 IonicContact NZ-OE2 3.14Å; K1080-E1082 PolarHBondContact NZ-OE2 3.49Å
1083R35.9Very low35.6Very low231 Ų231138 Ų13887%0.87281%0.808SS**  trans28.7127.9161.5-161-173.8-46.5-158.35.5122.1
1084G31.4Very low36.2Very low76 Ų76137.6 Ų137.678%0.78481%0.806SS**  trans-172.1137.6159.100000115.6
1085E34Very low35.8Very low190 Ų190133 Ų13389%0.88880%0.804SS**  trans-152.1167.6174.9-107.5-165.5158.200107.8
1086P47.9Very low35.8Very low124 Ų124137.6 Ų137.681%0.80581%0.811SS**  cis-126-168.4-24.538.8-22.4000111.4
1087G30.7Very low36.4Very low77 Ų77133.7 Ų133.779%0.79481%0.811SS**  trans-167.5140.8172.400000115.3
1088I41.3Very low36.2Very low179 Ų179125.9 Ų125.992%0.91881%0.805SS**  trans-115140.6-177-61.5170.9000109.8
1089G32Very low36.1Very low75 Ų75128.8 Ų128.877%0.77381%0.808SS**  trans-158.8132172.800000113.2
1090L33.7Very low36Very low169 Ų169125.3 Ų125.389%0.88581%0.805SS**  trans-102.3165.1177.7-85.9170.5000111.2
1091P48.7Very low36Very low124 Ų124121.6 Ų121.681%0.80580%0.804SS**  trans-87.8162.1-156.734.6-37.9000115.7
1092G30.3Very low36Very low79 Ų79126.8 Ų126.881%0.81482%0.816SS**  trans-134.4154167.900000111.6
1093S32Very low36Very low119 Ų119123.7 Ų123.783%0.83282%0.821SS**  trans-129.5-164.9-171.359.50000112.1
1094P50Low36Very low129 Ų129120.6 Ų120.684%0.83882%0.821SS**  -107.4174.3-102.439.2-27.4000114.9
1095G29Very low36.7Very low75 Ų75122.8 Ų122.877%0.77382%0.822SS**  trans-146148.7173.800000114.2
1096L35.2Very low36.6Very low171 Ų171117.4 Ų117.490%0.89582%0.818SS**  trans-135.3178.8177-68.8168.7000108
1097P49.7Very low36.1Very low124 Ų124117.3 Ų117.381%0.80582%0.819SS**  -121.8-178-63.538.2-24.4000111.2
1098G29.7Very low36.9Very low75 Ų75119.7 Ų119.777%0.77382%0.821SS**  trans-148.1149.8173.400000112.7
1099T35Very low36.6Very low130 Ų130114.8 Ų114.880%0.79881%0.814SS**  trans-135.5170-169.156.60000113.2
1100S31.1Very low37.1Very low116 Ų116116 Ų11681%0.81182%0.817SS**  trans85.2148.9168.5-41.40000116.9
1101A32.8Very low37.9Very low84 Ų84114 Ų11469%0.69481%0.814SS**  cis-167.5150.6-26.600000111.4
1102L32.4Very low37.6Very low175 Ų175111.2 Ų111.292%0.91681%0.808SS**  trans56.7125.3151.5-69.1164.2000122
1103G32.5Very low38Very low75 Ų75114.2 Ų114.277%0.77381%0.813SS**  trans-165.6140.216100000109.5
1104L36.9Very low38.5Very low167 Ų167117.8 Ų117.887%0.87482%0.817SS**  trans-106.1164.5-163.6-80.4171.7000114.8
1105P45.2Very low38.1Very low121 Ų121114.5 Ų114.579%0.78681%0.807SS**  trans-104.2172.6-154.540.5-38.3000116.6
1106G32.9Very low38.7Very low78 Ų78117 Ų11780%0.80481%0.81SS**  trans-111.5158.9161.600000112.3
1107S36.8Very low39.3Very low121 Ų121115 Ų11585%0.84681%0.806SS**PPolyproline II helixtrans-92.4160.4-164.5340000115.9
1108P47.3Very low38.7Very low128 Ų128111.3 Ų111.383%0.83179%0.791SS**PPolyproline II helixtrans-95.6161.6-166.737.5-37.2000115.7
1109G36.1Very low39.1Very low75 Ų75112.5 Ų112.577%0.77379%0.785SS**PPolyproline II helixtrans-87.8156.3164.200000113
1110A42.1Very low39.6Very low100 Ų100111 Ų11183%0.82678%0.78SS**PPolyproline II helixtrans-79.9144.5-168.600000114.9
1111P49.1Very low39.8Very low128 Ų128107.1 Ų107.183%0.83176%0.758SS**PPolyproline II helixtrans-75.8152.8172.9-14.130000114
1112G42.7Very low40.3Very low66 Ų66110.6 Ų110.668%0.6875%0.754SS**PPolyproline II helixtrans-79.6164165.900000113.3
1113P40.5Very low40.5Very low141 Ų141107.7 Ų107.792%0.91675%0.747SS**PPolyproline II helixtrans-71.8153.8-171.629.1-35.7000114.4
1114Q42.2Very low40.5Very low194 Ų194109.4 Ų109.491%0.90774%0.738SS**PPolyproline II helixtrans-95.2137.3-172.7-166.517236.900112.2
1115G40.3Very low41.1Very low61 Ų61106.3 Ų106.363%0.62973%0.728SS**PPolyproline II helixtrans-77.2156.9174.200000113.4
1116P42.4Very low40.9Very low128 Ų128107.5 Ų107.583%0.83172%0.723SS**PPolyproline II helixtrans-75.7156.1-172.630.8-36000113.9
1117P47.7Very low41.3Very low127 Ų127110.6 Ų110.683%0.82572%0.721SS**PPolyproline II helixtrans-85.3146.5-174.8-6.626000113.9
1118G37.7Very low41.5Very low48 Ų48110 Ų11050%0.49572%0.716SS.*PPolyproline II helixtrans-73.9156.1162.600000112.3
1119P37.8Very low40.8Very low99 Ų99111 Ų11164%0.64371%0.713SS**PPolyproline II helixtrans-68.7172.3-179.412.4-12000114.5G689G689-P1119 CarbonylContact C-O 3.35Å; G689-P1119 WeakPolarHBondContact CA-O 3.05Å; G689-P1119 CarbonylContact O-C 3.51Å; G689-P1119 WeakPolarHBondContact O-CA 3.26Å; G689-P1119 WeakPolarHBondContact O-CB 3.14Å; G689-P1119 VanDerWaalsContact O-CG 3.22Å; G689-P1119 WeakPolarHBondContact O-CG 3.35Å
1120S45.7Very low40.7Very low98 Ų98117.7 Ų117.769%0.68572%0.717SS**  trans-132.3150.3-162.966.90000112.4
1121G34.2Very low40.3Very low35 Ų35119 Ų11936%0.36172%0.717SS.*  trans-152.7150.9-17100000116.4A690 L691A690-G1121 VanDerWaalsContact CB-N 3.31Å; L691-G1121 VanDerWaalsContact N-CA 3.35Å; L691-G1121 WeakPolarHBondContact O-CA 3.06Å
1122R44.4Very low39.4Very low158 Ų158119 Ų11960%0.59671%0.714SS**PPolyproline II helixtrans-101.8134.3176.1-68.2160.4-129.1158.53.6110.5L692L692-R1122 HydrophobicContact CD1-CB 4Å; L692-R1122 HydrophobicContact CD1-CG 3.79Å; L692-R1122 VanDerWaalsContact CD1-CZ 3.47Å; L692-R1122 HydrophobicContact CD2-CB 4.16Å; L692-R1122 HydrophobicContact CD2-CG 4.47Å; L692-R1122 HydrophobicContact CG-CB 4.32Å
1123C35.3Very low38.8Very low114 Ų114121.2 Ų121.277%0.7772%0.72SS**PPolyproline II helixtrans-68.9162.4152.4-60.50000110
1124N33.8Very low38.2Very low110 Ų110123.8 Ų123.859%0.58872%0.719SS**PPolyproline II helixtrans-84.1140.8171.1-159.332.4000109.7E1126N1124-E1126 VanDerWaalsContact C-N 3.29Å; N1124-E1126 PolarHBondContact O-N 3.41Å
1125P47.9Very low37.6Very low103 Ų103119 Ų11967%0.66971%0.713SS**G310 helixtrans-70.5-16.3-174.2-23.235.8000116.2D1127P1125-D1127 VanDerWaalsContact C-N 3.34Å; P1125-D1127 PolarHBondContact O-N 3.15Å
1126E41.5Very low37.2Very low146 Ų146125.4 Ų125.468%0.68273%0.726SS**G310 helixtrans-69.7-23.5-172.7-64-69.812000114.2N1124 C1128N1124-E1126 VanDerWaalsContact C-N 3.29Å; N1124-E1126 PolarHBondContact O-N 3.41Å; E1126-C1128 PolarHBondContact O-N 3.29Å; E1126-C1128 VanDerWaalsContact O-N 3.09Å
1127D42.2Very low36.6Very low143 Ų143128.4 Ų128.477%0.76573%0.729SS**G310 helixtrans-73.63.7-179-66.9-52.4000113.9P1125P1125-D1127 VanDerWaalsContact C-N 3.34Å; P1125-D1127 PolarHBondContact O-N 3.15Å
1128C41.5Very low35.8Very low107 Ų107134 Ų13472%0.72373%0.733SS**  trans-118.945.5-169.5-77.40000114.5E1126E1126-C1128 PolarHBondContact O-N 3.29Å; E1126-C1128 VanDerWaalsContact O-N 3.09Å
1129L32.5Very low35.7Very low150 Ų150138.7 Ų138.779%0.78575%0.753SS**  trans-118.592173.5-73177.2000113.6
1130Y34.1Very low35.3Very low215 Ų215137.8 Ų137.884%0.84376%0.761SS**  trans-74135.4156.4-90.2-100.8000109.9V1132Y1130-V1132 PolarHBondContact O-N 3.44Å
1131P33.8Very low34.8Very low127 Ų127136.8 Ų136.883%0.82577%0.767SS**  trans-75.591171.630.6-33.5000110.9S1133P1131-S1133 PolarHBondContact O-N 3.41Å
1132V29.4Very low34.7Very low128 Ų128148.8 Ų148.878%0.77681%0.809SS**PPolyproline II helixtrans-75.9118.9168.7177.80000109.1Y1130 Q1134Y1130-V1132 PolarHBondContact O-N 3.44Å; V1132-Q1134 PolarHBondContact O-N 3.37Å
1133S28.9Very low34.2Very low114 Ų114148.3 Ų148.380%0.79782%0.82SS**PPolyproline II helixtrans-66.8118.3175.8-600000110.5P1131 A1135P1131-S1133 PolarHBondContact O-N 3.41Å; S1133-A1135 PolarHBondContact O-N 3.31Å
1134Q28.9Very low34.1Very low195 Ų195150.1 Ų150.191%0.91182%0.822SS**PPolyproline II helixtrans-68.6121.3171.9-75.4-171.1-1100110.2V1132V1132-Q1134 PolarHBondContact O-N 3.37Å
1135A29.9Very low34.2Very low93 Ų93152.3 Ų152.377%0.76984%0.835SS**PPolyproline II helixtrans-69.4142.7167.300000110.2S1133 Q1137S1133-A1135 PolarHBondContact O-N 3.31Å; A1135-Q1137 PolarHBondContact O-N 2.66Å
1136H31.9Very low33.3Very low196 Ų196155.2 Ų155.291%0.90785%0.845SS**PPolyproline II helixtrans-61.3126.1170.6-89.3-40.3000110.8R1138H1136-R1138 PolarHBondContact O-N 2.64Å
1137Q30.3Very low32.8Very low190 Ų190155.8 Ų155.889%0.88886%0.855SS**PPolyproline II helixtrans-61.4125.8159.2-71.5179.6-27.500109.2A1135A1135-Q1137 PolarHBondContact O-N 2.66Å
1138R29.6Very low32.2Very low245 Ų245156.7 Ų156.793%0.92586%0.861SS**PPolyproline II helixtrans-97.7140149.2-94.9-171.6171.7-174.1-1.4108.9H1136H1136-R1138 PolarHBondContact O-N 2.64Å
1139T35.1Very low31.5Very low146 Ų146160.2 Ų160.290%0.89687%0.871SS**PPolyproline II helixtrans-73.6157.8179.948.30000112.1
1140G30.7Very low31.5Very low80 Ų80161 Ų16183%0.82588%0.878SS**  trans135.976.1164.800000114
1141G35.6Very low31.2Very low78 Ų78156.5 Ų156.580%0.80488%0.88SS**  trans-84.5170.9177.700000114.2
1142K30.9Very low31Very low286 Ų286159.2 Ų159.2100%1.24389%0.886SS**  trans-151.80146.6-112.2-178.1-179.2-177.90109.2

Retrieved 1,142 of 1,142 residues in 1692.5 ms (Link to these results)