A0A060D1M1_MAIZE Loading...

ABI3VP1 transcription factor

AlphaFold DB , UniProt , Accession A0A060D1M1, Species MAIZE (Zea mays, Maize), Gene ABI12, Length 409 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
1M45.4Very low51.9Low239 Ų239146.5 Ų146.5100%1.17780%0.803SS**  097.30-90.378.4173.700107.8
2E46.2Very low52.4Low185 Ų185148.8 Ų148.886%0.86479%0.791SS**  trans-124.998.4170.7-86.2-170.6105.500107.8
3F51.9Low53.1Low219 Ų219145.8 Ų145.896%0.96177%0.77SS**  trans-150.978.4166.8-73.4-73.5000107.8
4A52.7Low53.5Low97 Ų97142 Ų14280%0.80275%0.746SS**  trans-154.882.8169.900000109.4
5S54.5Low54Low126 Ų126138.9 Ų138.988%0.88173%0.73SS**  trans-157.911.2168.1-82.10000115.9
6S55.6Low54.5Low115 Ų115135.4 Ų135.480%0.80471%0.709SS**SBendtrans-105.5-4.7-178.4-59.30000115.6
7S55.7Low54.8Low110 Ų110135.3 Ų135.377%0.76970%0.704SS**SBendtrans-87.6-7.7-177-70.40000115.5
8S52.5Low55.2Low101 Ų101132.1 Ų132.171%0.70669%0.685SS**THydrogen-bonded Turntrans-87.6-19.8-175.3179.50000114.5
9R52.8Low55.6Low217 Ų217131.9 Ų131.982%0.81968%0.68SS**THydrogen-bonded Turntrans-85-27.6-177.8-85.4-173175.2154.4-0.9113.6
10F48.5Very low55.8Low138 Ų138131.3 Ų131.361%0.60567%0.674SS**Hα-helixtrans-76.9-30.1-176.5-128.6-92.5000113.2E14F10-E14 PolarHBondContact O-N 2.96Å
11S54.9Low56.1Low64 Ų64131.1 Ų131.145%0.44867%0.671SS.*Hα-helixtrans-70.4-31179.8-610000113.3E14 D15S11-E14 PolarHBondContact O-N 2.99Å; S11-D15 PolarHBondContact O-N 2.98Å
12R58.2Low57Low174 Ų174125.9 Ų125.966%0.65764%0.643SS**Hα-helixtrans-73.4-33.1-179.2-178172.1167155.3-0.3112.6E16R12-E16 WeakPolarHBondContact CG-OE1 3.45Å; R12-E16 IonicContact CZ-OE1 2.66Å; R12-E16 IonicContact NE-OE1 3.91Å; R12-E16 PolarHBondContact NE-OE1 3.18Å; R12-E16 IonicContact NH2-OE1 3.75Å; R12-E16 VanDerWaalsContact O-CG 3.29Å; R12-E16 WeakPolarHBondContact O-CG 2.72Å; R12-E16 PolarHBondContact O-N 3.32Å
13E61Low57.8Low110 Ų110123.7 Ų123.751%0.51463%0.633SS.*Hα-helixtrans-71.2-35.3175.7-66.2174.6148.700111E16 E17E13-E16 PolarHBondContact O-N 3.23Å; E13-E17 PolarHBondContact O-N 2.94Å; E13-E17 VanDerWaalsContact O-N 3.12Å
14E59Low58.4Low93 Ų93119.8 Ų119.844%0.43562%0.618SS.*Hα-helixtrans-66.7-38.9175.2-70.7177.8162.400112.3F10 S11 E18F10-E14 PolarHBondContact O-N 2.96Å; S11-E14 PolarHBondContact O-N 2.99Å; E14-E18 WeakPolarHBondContact O-CG 3Å; E14-E18 PolarHBondContact O-N 3.16Å
15D60.6Low58.8Low96 Ų96117.7 Ų117.751%0.51359%0.591SS.*Hα-helixtrans-67.7-38.2175.5-68.4-38.3000111.7S11 E18 E19S11-D15 PolarHBondContact O-N 2.98Å; D15-E18 PolarHBondContact O-N 3.38Å; D15-E19 PolarHBondContact O-N 2.83Å; D15-E19 VanDerWaalsContact O-N 3.11Å
16E61.9Low59.2Low82 Ų82119.1 Ų119.138%0.38358%0.584SS.*Hα-helixtrans-72-29-179.9-72.9172.3-172.100113.2R12 E13 Q20R12-E16 WeakPolarHBondContact CG-OE1 3.45Å; R12-E16 IonicContact CZ-OE1 2.66Å; R12-E16 IonicContact NE-OE1 3.91Å; R12-E16 PolarHBondContact NE-OE1 3.18Å; R12-E16 IonicContact NH2-OE1 3.75Å; R12-E16 VanDerWaalsContact O-CG 3.29Å; R12-E16 WeakPolarHBondContact O-CG 2.72Å; R12-E16 PolarHBondContact O-N 3.32Å; E13-E16 PolarHBondContact O-N 3.23Å; E16-Q20 PolarHBondContact O-N 3.1Å; E16-Q20 PolarHBondContact O-NE2 3.21Å
17E61Low59.6Low134 Ų134120.9 Ų120.963%0.62658%0.58SS**Hα-helixtrans-75.4-34.5172.3-73.2-176.9-17900111.9E13 Q20 E21E13-E17 PolarHBondContact O-N 2.94Å; E13-E17 VanDerWaalsContact O-N 3.12Å; E17-Q20 PolarHBondContact O-N 3.03Å; E17-E21 PolarHBondContact O-N 2.96Å; E17-E21 VanDerWaalsContact O-N 3.08Å
18E60.7Low59.9Low78 Ų78120.9 Ų120.936%0.36457%0.568SS.*Hα-helixtrans-68.3-39.4175.8-74.7-174.2-174.500112.3E14 D15 Q20 E21 E22 K167E14-E18 WeakPolarHBondContact O-CG 3Å; E14-E18 PolarHBondContact O-N 3.16Å; D15-E18 PolarHBondContact O-N 3.38Å; E18-Q20 VanDerWaalsContact C-N 3.33Å; E18-Q20 PolarHBondContact O-N 3.04Å; E18-E21 PolarHBondContact O-N 3Å; E18-E22 WeakPolarHBondContact O-CG 3.27Å; E18-E22 PolarHBondContact O-N 3.39Å; E18-K167 IonicContact OE1-NZ 2.71Å; E18-K167 PolarHBondContact OE1-NZ 2.98Å; E18-K167 IonicContact OE2-NZ 3.17Å; E18-K167 PolarHBondContact OE2-NZ 2.97Å
19E63.1Low60.3Low128 Ų128119.1 Ų119.160%0.59856%0.559SS**Hα-helixtrans-62.8-39.1174.1-73.5-178.5172.800111.8D15 E22 E23D15-E19 PolarHBondContact O-N 2.83Å; D15-E19 VanDerWaalsContact O-N 3.11Å; E19-E22 PolarHBondContact O-N 2.77Å; E19-E23 WeakPolarHBondContact O-CG 3.43Å; E19-E23 PolarHBondContact O-N 3.1Å
20Q59Low60.3Low120 Ų120112.6 Ų112.656%0.56155%0.547SS*.Hα-helixtrans-67.6-37.7175.9-79.3170.480.100112.8E16 E17 E18 E22 E24E16-Q20 PolarHBondContact O-N 3.1Å; E16-Q20 PolarHBondContact O-NE2 3.21Å; E17-Q20 PolarHBondContact O-N 3.03Å; E18-Q20 VanDerWaalsContact C-N 3.33Å; E18-Q20 PolarHBondContact O-N 3.04Å; Q20-E22 VanDerWaalsContact C-N 3.34Å; Q20-E24 PolarHBondContact O-N 3.16Å; Q20-E24 VanDerWaalsContact O-N 3.1Å
21E63.3Low61Low127 Ų127111 Ų11159%0.59355%0.55SS**Hα-helixtrans-68.1-33175-74.6-168.717200112.3E17 E18 E25E17-E21 PolarHBondContact O-N 2.96Å; E17-E21 VanDerWaalsContact O-N 3.08Å; E18-E21 PolarHBondContact O-N 3Å; E21-E25 WeakPolarHBondContact O-CB 3.28Å; E21-E25 PolarHBondContact O-N 3.08Å
22E64Low60.9Low129 Ų129118.9 Ų118.960%0.60357%0.57SS**Hα-helixtrans-71-41.6175-72.6-169.5169.200112E18 E19 Q20 E25 E26E18-E22 WeakPolarHBondContact O-CG 3.27Å; E18-E22 PolarHBondContact O-N 3.39Å; E19-E22 PolarHBondContact O-N 2.77Å; Q20-E22 VanDerWaalsContact C-N 3.34Å; E22-E25 PolarHBondContact O-N 2.91Å; E22-E26 PolarHBondContact O-N 3.41Å
23E62.8Low60.4Low140 Ų140119.3 Ų119.365%0.65458%0.579SS**Hα-helixtrans-64-42.8175.9-74.4-173.4171.300112.4E19 E25 E26 E27E19-E23 WeakPolarHBondContact O-CG 3.43Å; E19-E23 PolarHBondContact O-N 3.1Å; E23-E25 VanDerWaalsContact C-N 3.27Å; E23-E25 PolarHBondContact O-N 3.13Å; E23-E26 PolarHBondContact O-N 3.3Å; E23-E27 PolarHBondContact O-N 3.28Å
24E63.8Low60.2Low136 Ų136121.3 Ų121.364%0.63659%0.592SS**Hα-helixtrans-65.6-29.7175.1-76.2-167.9172.300112.5Q20 E28Q20-E24 PolarHBondContact O-N 3.16Å; Q20-E24 VanDerWaalsContact O-N 3.1Å; E24-E28 WeakPolarHBondContact O-CB 3.16Å; E24-E28 PolarHBondContact O-N 2.71Å
25E62.6Low60.1Low53 Ų53122 Ų12225%0.24861%0.605CS.*Hα-helixtrans-77.9-32.4177.9-157170.7-122.100112.2E21 E22 E23 A29 K160 R164E21-E25 WeakPolarHBondContact O-CB 3.28Å; E21-E25 PolarHBondContact O-N 3.08Å; E22-E25 PolarHBondContact O-N 2.91Å; E23-E25 VanDerWaalsContact C-N 3.27Å; E23-E25 PolarHBondContact O-N 3.13Å; E25-A29 WeakPolarHBondContact O-CB 3.44Å; E25-A29 PolarHBondContact O-N 3.17Å; E25-A29 VanDerWaalsContact O-N 3.08Å; E25-K160 WeakPolarHBondContact OE1-CE 3.43Å; E25-R164 IonicContact OE2-NH1 2.95Å; E25-R164 PolarHBondContact OE2-NH1 3.42Å
26E63Low59.4Low156 Ų156125.9 Ų125.973%0.72962%0.617SS**Hα-helixtrans-70.3-38.2170.4-78.2-162.6154.800112.5E22 E23 A29 S30E22-E26 PolarHBondContact O-N 3.41Å; E23-E26 PolarHBondContact O-N 3.3Å; E26-A29 PolarHBondContact O-N 3.34Å; E26-S30 PolarHBondContact O-N 2.91Å; E26-S30 VanDerWaalsContact O-N 3.15Å
27E63.1Low58.9Low153 Ų153130.5 Ų130.572%0.71564%0.641SS**Hα-helixtrans-68.6-36.9177.5-153.6-168.4158.800111.9E23E23-E27 PolarHBondContact O-N 3.28Å
28E62Low58Low110 Ų110129 Ų12951%0.51464%0.642SS.*Hα-helixtrans-74.9-25.9175.6-157.3-162.5156.200112.6E24 K160E24-E28 WeakPolarHBondContact O-CB 3.16Å; E24-E28 PolarHBondContact O-N 2.71Å; E28-K160 IonicContact OE2-NZ 2.69Å; E28-K160 PolarHBondContact OE2-NZ 3.12Å; E28-K160 VanDerWaalsContact OE2-NZ 3.17Å
29A61.7Low57.2Low64 Ų64129.6 Ų129.653%0.52966%0.659SS.*Hα-helixtrans-84.7-14.1178.900000113.8E25 E26 P31E25-A29 WeakPolarHBondContact O-CB 3.44Å; E25-A29 PolarHBondContact O-N 3.17Å; E25-A29 VanDerWaalsContact O-N 3.08Å; E26-A29 PolarHBondContact O-N 3.34Å; A29-P31 VanDerWaalsContact O-CD 3.27Å; A29-P31 WeakPolarHBondContact O-CD 3.33Å
30S52Low56.3Low79 Ų79127.9 Ų127.955%0.55267%0.667SS**SBendtrans-76.3114.1175.2-167.30000110.7E26 R32E26-S30 PolarHBondContact O-N 2.91Å; E26-S30 VanDerWaalsContact O-N 3.15Å; S30-R32 PolarHBondContact O-N 3.08Å; S30-R32 VanDerWaalsContact O-N 3.1Å
31P62.1Low55.4Low105 Ų105127 Ų12768%0.68268%0.681SS**  trans-61.9118.5173.6-16.331000108.1A29 E33A29-P31 VanDerWaalsContact O-CD 3.27Å; A29-P31 WeakPolarHBondContact O-CD 3.33Å; P31-E33 PolarHBondContact O-N 3.17Å
32R54.3Low54.6Low230 Ų230127.9 Ų127.987%0.86870%0.695SS**  trans-59.295.2164.7-73.6-176.6173.8177.6-1.6107.7S30 I34S30-R32 PolarHBondContact O-N 3.08Å; S30-R32 VanDerWaalsContact O-N 3.1Å; R32-I34 PolarHBondContact O-N 3.35Å
33E48.1Very low53.7Low182 Ų182126.6 Ų126.685%0.8571%0.706SS**  trans-61102.1169.9-65.8-164.4129.200107.4P31 P35P31-E33 PolarHBondContact O-N 3.17Å; E33-P35 VanDerWaalsContact O-CD 3.28Å; E33-P35 WeakPolarHBondContact O-CD 3.41Å
34I55.4Low53.1Low152 Ų152127.5 Ų127.578%0.77972%0.716SS**  trans-68.5119173.1-51.1173.6000106.2R32 F36R32-I34 PolarHBondContact O-N 3.35Å; I34-F36 PolarHBondContact O-N 3.03Å
35P57.7Low52.3Low108 Ų108127.5 Ų127.570%0.70173%0.725SS**  trans-67.5108.3173.6-12.627.6000107.9E33 M37E33-P35 VanDerWaalsContact O-CD 3.28Å; E33-P35 WeakPolarHBondContact O-CD 3.41Å; P35-M37 VanDerWaalsContact C-N 3.34Å; P35-M37 PolarHBondContact O-N 3.15Å
36F46.6Very low51.6Low177 Ų177128.8 Ų128.878%0.77675%0.752SS**  trans-66.398.3165.5123.1-82.4000107I34 T38I34-F36 PolarHBondContact O-N 3.03Å; F36-T38 WeakPolarHBondContact CE2-OG1 3.28Å; F36-T38 WeakPolarHBondContact CZ-OG1 3.22Å; F36-T38 PolarHBondContact O-N 3.39Å
37M50.9Low50.7Low179 Ų179126.3 Ų126.388%0.88276%0.759SS**  trans-85.296.6170.3-69.7-179.8111.200108P35P35-M37 VanDerWaalsContact C-N 3.34Å; P35-M37 PolarHBondContact O-N 3.15Å
38T42.2Very low49.9Very low104 Ų104124.1 Ų124.164%0.63877%0.767SS**  trans-73.9115.9157.3-700000108.6F36F36-T38 WeakPolarHBondContact CE2-OG1 3.28Å; F36-T38 WeakPolarHBondContact CZ-OG1 3.22Å; F36-T38 PolarHBondContact O-N 3.39Å
39A43.6Very low49.3Very low89 Ų89123.6 Ų123.674%0.73678%0.781SS**  trans-168.5119.2150.900000112.8
40A43Very low49Very low93 Ų93126.5 Ų126.577%0.76980%0.797SS**  trans62.399.7132.600000120.4
41A40.8Very low49.1Very low102 Ų102128.1 Ų128.184%0.84381%0.809SS**  35109.9120.900000118.7
42T46.3Very low48.9Very low145 Ų145128.9 Ų128.989%0.8982%0.816SS**  trans-136.4132.9141.6510000109
43A45.8Very low48.6Very low101 Ų101123.3 Ų123.384%0.83581%0.813SS**  trans-79.4139178.700000110
44D50.3Low49Very low160 Ų160120.3 Ų120.386%0.85681%0.809SS**  trans-142143.4154.6-165.822.8000110.9
45T47.4Very low48.5Very low136 Ų136118.7 Ų118.783%0.83481%0.811SS**  trans-107118.7-160.5-40.30000107.8
46G46.2Very low48Very low79 Ų79118.2 Ų118.281%0.81482%0.817SS**  trans-150.7103.5178.800000111.8
47A45Very low48.1Very low105 Ų105114.9 Ų114.987%0.86882%0.822SS**  trans-74.8140.7-178.500000113.2
48A45.8Very low47.9Very low107 Ų107111.7 Ų111.788%0.88482%0.824SS**  trans-172.2142.1137.700000110.9
49A49.3Very low48.3Very low98 Ų98111.9 Ų111.981%0.8183%0.829SS**  trans-84151.6-163.800000115.2
50S56.3Low48.7Very low125 Ų125113.4 Ų113.487%0.87483%0.834SS**  -169.6134.7129.352.20000111.6
51S54.6Low49Very low114 Ų114112.6 Ų112.680%0.79784%0.836SS**  trans-77.7144.8-17350.10000115.4
52S57Low49.8Very low120 Ų120113.7 Ų113.784%0.83983%0.834SS**  trans179.1115.2131.152.20000112.1
53S48.3Very low49.8Very low114 Ų114111.6 Ų111.680%0.79783%0.832SS**  trans-102.5157.3158.2-52.30000108.2
54P56.3Low49.7Very low118 Ų118111.7 Ų111.777%0.76683%0.832SS**  -147.3146.576.429.4-6.3000114.4
55S45.3Very low49.7Very low118 Ų118108.5 Ų108.583%0.82583%0.828SS**  63.8103.685.7-440000117.7
56A47.1Very low50Low99 Ų99106.2 Ų106.282%0.81882%0.816SS**  trans-165.1107.3147.700000107.3
57A47.9Very low50.2Low107 Ų107113 Ų11388%0.88482%0.816SS**  66.194.971.200000114.3
58A47Very low50.5Low111 Ų111112.8 Ų112.892%0.91781%0.809SS**  trans-161.9135.1144.200000110.2
59S50.9Low51.3Low108 Ų108113.3 Ų113.376%0.75581%0.806SS**  trans-109.1167.1-161.646.60000113.3
60S53.3Low51.3Low121 Ų121116.7 Ų116.785%0.84681%0.81SS**  trans80121.3144.259.40000121.2
61G49.1Very low51.1Low77 Ų77114.5 Ų114.579%0.79481%0.808SS**  trans160.897.3151.500000113.5
62P56.1Low51.1Low125 Ų125114.4 Ų114.481%0.81281%0.814SS**  trans-105.6156.9178.937.1-28.3000114.7
63A46.5Very low50.8Low101 Ų101112.3 Ų112.384%0.83581%0.811SS**  trans60.7119143.400000121.4
64A44.3Very low51.3Low102 Ų102111.9 Ų111.984%0.84381%0.814SS**  177.5123116.800000112.1
65A50.6Low51.3Low93 Ų93111.4 Ų111.477%0.76981%0.814SS**  trans-80.6-170.6158.600000109.1
66P53.3Low51.4Low89 Ų89109.9 Ų109.958%0.57882%0.817SS**  cis-147.2-164.31037.5-12.8000115.9
67R49.9Very low51.7Low220 Ų220110.2 Ų110.283%0.8381%0.813SS**  trans65.9147.515071.3172.8168.1-102-6.9117.9
68S51Low51.6Low101 Ų101109 Ų10971%0.70681%0.811SS**  cis172.4132.5-1047.50000104.2
69S63Low51.3Low118 Ų118107 Ų10783%0.82580%0.802SS**  trans179.9117.3149.551.50000111.3
70D50.3Low50.8Low169 Ų169105.3 Ų105.390%0.90480%0.801SS**  trans-52.2150.2164.1-55.2-80.2000113
71G50.8Low50.1Low80 Ų80103.4 Ų103.483%0.82580%0.801SS**  trans-178.492.2174.700000112.9
72A55.3Low49.9Very low112 Ų112104 Ų10493%0.92679%0.793SS**  trans-53.1156.5178.300000115.3
73G49.7Very low49.4Very low75 Ų75105.1 Ų105.177%0.77379%0.792SS**  trans136122.2141.400000116.7
74A59.9Low49.2Very low105 Ų105107 Ų10787%0.86879%0.787SS**  trans90.5109.4142.900000119.4
75S56.8Low49.7Very low108 Ų108106.7 Ų106.776%0.75578%0.775SS**  trans92.982.7131.4-131.30000117S77S75-S77 VanDerWaalsContact C-N 3.28Å; S75-S77 PolarHBondContact O-N 2.85Å
76G45.8Very low49.9Very low86 Ų86109.7 Ų109.789%0.88777%0.773SS**  trans-60.494.9147.700000109
77S53.9Low50.5Low107 Ų107111.9 Ų111.975%0.74879%0.785SS**  trans-91.6100165-148.60000106.6S75 G79S75-S77 VanDerWaalsContact C-N 3.28Å; S75-S77 PolarHBondContact O-N 2.85Å; S77-G79 PolarHBondContact O-N 2.98Å
78G45.8Very low51.6Low81 Ų81103.6 Ų103.684%0.83576%0.756SS**  trans-61.389.1165.900000108.5G80G78-G80 PolarHBondContact O-N 3.06Å
79G41.8Very low53.4Low70 Ų70105.5 Ų105.572%0.72275%0.754SS**  trans-69113.4169.600000107.8S77 G81S77-G79 PolarHBondContact O-N 2.98Å; G79-G81 PolarHBondContact O-N 2.92Å
80G40.1Very low54.8Low72 Ų72103.7 Ų103.774%0.74273%0.731SS**  trans-50.4133.3-18000000111.4G78 S82G78-G80 PolarHBondContact O-N 3.06Å; G80-S82 PolarHBondContact O-N 2.98Å
81G38Very low57Low81 Ų81100.2 Ų100.284%0.83571%0.71SS**  trans-61.586.5157.300000107.2G79 D83G79-G81 PolarHBondContact O-N 2.92Å; G81-D83 PolarHBondContact O-N 3.13Å
82S44.3Very low59.1Low90 Ų90101 Ų10163%0.62969%0.692SS**  trans-54.5131154.9-167.50000105.1G80 D84G80-S82 PolarHBondContact O-N 2.98Å; S82-D84 PolarHBondContact O-N 2.79Å
83D46.2Very low61.1Low148 Ų14896.1 Ų96.179%0.79165%0.65SS**  trans-53.674.7156.7-108.8-85.4000107.4G81 V85G81-D83 PolarHBondContact O-N 3.13Å; D83-V85 HydrophobicContact CB-CG2 4.33Å; D83-V85 PolarHBondContact O-N 3.26Å
84D41.9Very low63.4Low139 Ų13992.8 Ų92.874%0.74361%0.614SS**  trans-69.474.1155-89.7-67.9000104.2S82 Q86S82-D84 PolarHBondContact O-N 2.79Å; D84-Q86 PolarHBondContact O-N 3.28Å
85V55Low65.2Low97 Ų9791.4 Ų91.459%0.58859%0.592SS**  trans-53.995.8155.2178.50000102.9D83 V87D83-V85 HydrophobicContact CB-CG2 4.33Å; D83-V85 PolarHBondContact O-N 3.26Å; V85-V87 VanDerWaalsContact C-N 3.28Å; V85-V87 WeakPolarHBondContact O-CG2 3.49Å; V85-V87 PolarHBondContact O-N 3.39Å
86Q54.7Low67.1Low156 Ų15687.6 Ų87.673%0.72956%0.562SS**  trans-50.4108.1168.6-74.3-178.818.400104D84 I88D84-Q86 PolarHBondContact O-N 3.28Å; Q86-I88 HydrophobicContact CB-CG1 4.42Å; Q86-I88 PolarHBondContact O-N 3.48Å
87V66.6Low69.6Low135 Ų13587 Ų8782%0.81854%0.541SS*.  trans-7182177.9-179.20000103.9V85 E89V85-V87 VanDerWaalsContact C-N 3.28Å; V85-V87 WeakPolarHBondContact O-CG2 3.49Å; V85-V87 PolarHBondContact O-N 3.39Å; V87-E89 PolarHBondContact O-N 3.09Å
88I73.7Confident71.6Confident46 Ų4682 Ų8224%0.23651%0.506CS..  trans-63.6110172.2-60.9173.7000103.5Q86 K90 A187 F192Q86-I88 HydrophobicContact CB-CG1 4.42Å; Q86-I88 PolarHBondContact O-N 3.48Å; I88-K90 WeakPolarHBondContact O-CG 3.38Å; I88-K90 PolarHBondContact O-N 2.82Å; I88-A187 HydrophobicContact CG2-CB 4.48Å; I88-F192 HydrophobicContact CB-CZ 4.47Å; I88-F192 HydrophobicContact CD1-CE1 4.45Å; I88-F192 HydrophobicContact CD1-CZ 4.08Å; I88-F192 HydrophobicContact CG2-CE2 4.1Å; I88-F192 HydrophobicContact CG2-CZ 3.84Å
89E88.3Confident74Confident141 Ų14180.4 Ų80.466%0.65948%0.48SS*.  trans-59.7125.3172.3-168.4-177.8176.400106.7V87 A183V87-E89 PolarHBondContact O-N 3.09Å; E89-A183 HydrophobicContact CB-CB 3.82Å; E89-A183 HydrophobicContact CG-CB 3.69Å; E89-A183 WeakPolarHBondContact O-CA 3.3Å; E89-A183 VanDerWaalsContact O-CB 3.31Å; E89-A183 WeakPolarHBondContact O-CB 3.48Å; E89-A183 PolarHBondContact O-N 3.19Å
90K92.9Very high76.6Confident79 Ų7981.8 Ų81.834%0.34348%0.476SS..EExtended strand (participates in β ladder)trans-111.5121.3-177.9-62.5-177.3-174.1-176.60108.6I88 C180 R181 F192I88-K90 WeakPolarHBondContact O-CG 3.38Å; I88-K90 PolarHBondContact O-N 2.82Å; K90-C180 HydrophobicContact CB-CB 4.13Å; K90-R181 CarbonylContact C-O 3.08Å; K90-R181 WeakPolarHBondContact CA-O 2.79Å; K90-F192 HydrophobicContact CD-CB 3.94Å; K90-F192 HydrophobicContact CD-CD1 4.09Å; K90-F192 HydrophobicContact CD-CD2 3.91Å; K90-F192 HydrophobicContact CD-CE2 4.47Å; K90-F192 HydrophobicContact CD-CG 3.71Å; K90-F192 HydrophobicContact CG-CD2 3.91Å; K90-F192 HydrophobicContact CG-CE2 4.15Å; K90-F192 HydrophobicContact CG-CG 4.24Å
91E94.9Very high79.2Confident97 Ų9781 Ų8145%0.45346%0.46SS..EExtended strand (participates in β ladder)trans-77.9119.1169.4-174.8-178.3-179.600109.3M93 C180 R181 A183E91-M93 PolarHBondContact O-N 2.65Å; E91-C180 CarbonylContact O-C 3.54Å; E91-C180 VanDerWaalsContact O-CA 3.24Å; E91-C180 WeakPolarHBondContact O-CA 3.4Å; E91-C180 WeakPolarHBondContact O-CB 2.97Å; E91-R181 PolarHBondContact N-O 3.06Å; E91-R181 PolarHBondContact O-N 2.92Å; E91-A183 HydrophobicContact CB-CB 4.34Å
92H96Very high82Confident96 Ų9677.2 Ų77.244%0.44442%0.42SS..EExtended strand (participates in β ladder)trans-70124.5176.4178.970.6000111.1F94 D95H92-F94 PolarHBondContact CE1-O 2.77Å; H92-F94 WeakPolarHBondContact NE2-CA 3.4Å; H92-D95 IonicContact CE1-OD1 3.73Å; H92-D95 PolarHBondContact CE1-OD1 2.91Å; H92-D95 IonicContact NE2-OD1 3.16Å
93M96.6Very high84.5Confident9 Ų974.9 Ų74.94%0.04440%0.402CS..EExtended strand (participates in β ladder)trans-90.4-64.2178.9-54.5167.9102.800110.4E91 Y119 F120 F179 C180 R181 L191E91-M93 PolarHBondContact O-N 2.65Å; M93-Y119 HydrophobicContact CB-CD1 3.9Å; M93-Y119 HydrophobicContact CB-CD2 3.94Å; M93-Y119 HydrophobicContact CB-CE1 3.95Å; M93-Y119 HydrophobicContact CB-CE2 3.97Å; M93-Y119 HydrophobicContact CB-CG 3.89Å; M93-Y119 HydrophobicContact CE-CD1 3.87Å; M93-Y119 HydrophobicContact CE-CG 3.93Å; M93-Y119 HydrophobicContact CG-CD1 4.09Å; M93-Y119 HydrophobicContact CG-CE1 4.34Å; M93-Y119 HydrophobicContact CG-CG 4.38Å; M93-Y119 WeakPolarHBondContact O-CE2 3.37Å; M93-Y119 PolarHBondContact O-OH 2.9Å; M93-F120 HydrophobicContact CE-CD1 4.46Å; M93-F120 HydrophobicContact CE-CE1 3.77Å; M93-F120 HydrophobicContact CE-CZ 4.11Å; M93-F120 HydrophobicContact SD-CE1 4.23Å; M93-F120 HydrophobicContact SD-CZ 4.09Å; M93-F179 WeakPolarHBondContact CA-O 3.46Å; M93-F179 VanDerWaalsContact CB-O 3.27Å; M93-F179 WeakPolarHBondContact CB-O 3.16Å; M93-F179 PolarHBondContact N-O 3.47Å; M93-F179 HydrophobicContact SD-CB 4.46Å; M93-C180 VanDerWaalsContact SD-C 3.59Å; M93-R181 HydrophobicContact CE-CB 4.12Å; M93-R181 HydrophobicContact CG-CB 4.01Å; M93-R181 HydrophobicContact SD-CB 3.98Å; M93-L191 HydrophobicContact CE-CD2 4.13Å; M93-L191 HydrophobicContact SD-CD2 4.34Å
94F97.8Very high86.5Confident5 Ų569.1 Ų69.12%0.02238%0.378CS..EExtended strand (participates in β ladder)trans-162.2161.2178.566.5-81.4000112.6H92 K96 I111 H115 Y119 F120 F179H92-F94 PolarHBondContact CE1-O 2.77Å; H92-F94 WeakPolarHBondContact NE2-CA 3.4Å; F94-K96 HydrophobicContact CD2-CB 4.49Å; F94-K96 HydrophobicContact CE2-CB 4.26Å; F94-I111 HydrophobicContact CE2-CG2 4.32Å; F94-I111 HydrophobicContact CZ-CD1 4.46Å; F94-I111 HydrophobicContact CZ-CG2 4Å; F94-H115 HydrophobicContact CB-CB 4.26Å; F94-H115 HydrophobicContact CD1-CB 3.81Å; F94-H115 HydrophobicContact CD2-CB 4.01Å; F94-H115 AromaticContact CD2-CD2 3.61Å; F94-H115 AromaticContact CD2-CG 3.92Å; F94-H115 HydrophobicContact CE1-CB 4.12Å; F94-H115 HydrophobicContact CE2-CB 4.3Å; F94-H115 HydrophobicContact CG-CB 3.75Å; F94-H115 AromaticContact CG-CD2 3.74Å; F94-H115 AromaticContact CG-CG 3.66Å; F94-H115 HydrophobicContact CZ-CB 4.35Å; F94-Y119 HydrophobicContact CB-CE2 4.2Å; F94-Y119 AromaticContact CD1-CD2 3.58Å; F94-Y119 HydrophobicContact CD1-CD2 3.58Å; F94-Y119 AromaticContact CD1-CE2 4Å; F94-Y119 HydrophobicContact CD1-CE2 4Å; F94-Y119 HydrophobicContact CD1-CG 4.45Å; F94-Y119 HydrophobicContact CE1-CD2 4.22Å; F94-Y119 HydrophobicContact CG-CD2 4.48Å; F94-F120 HydrophobicContact CE1-CD2 4.35Å; F94-F120 AromaticContact CE1-CE2 3.52Å; F94-F120 HydrophobicContact CE1-CE2 3.52Å; F94-F120 HydrophobicContact CE1-CZ 4.13Å; F94-F120 AromaticContact CZ-CE2 3.82Å; F94-F120 HydrophobicContact CZ-CE2 3.82Å; F94-F179 HydrophobicContact CD1-CB 4.13Å; F94-F179 AromaticContact CD2-CD2 3.99Å; F94-F179 HydrophobicContact CD2-CD2 3.99Å; F94-F179 HydrophobicContact CE1-CB 3.77Å; F94-F179 AromaticContact CE1-CD2 3.95Å; F94-F179 HydrophobicContact CE1-CD2 3.95Å; F94-F179 AromaticContact CE1-CG 3.96Å; F94-F179 HydrophobicContact CE1-CG 3.96Å; F94-F179 AromaticContact CE2-CD2 3.31Å; F94-F179 HydrophobicContact CE2-CD2 3.31Å; F94-F179 AromaticContact CE2-CE2 3.7Å; F94-F179 HydrophobicContact CE2-CE2 3.7Å; F94-F179 HydrophobicContact CE2-CG 4.16Å; F94-F179 HydrophobicContact CZ-CB 4.02Å; F94-F179 HydrophobicContact CZ-CD1 4.49Å; F94-F179 AromaticContact CZ-CD2 3.28Å; F94-F179 HydrophobicContact CZ-CD2 3.28Å; F94-F179 AromaticContact CZ-CE2 3.81Å; F94-F179 HydrophobicContact CZ-CE2 3.81Å; F94-F179 AromaticContact CZ-CG 3.68Å; F94-F179 HydrophobicContact CZ-CG 3.68Å; F94-F179 PolarHBondContact N-O 2.67Å; F94-F179 PolarHBondContact O-N 3.28Å
95D97.7Very high88.8Confident77 Ų7771.3 Ų71.341%0.41238%0.381SS..EExtended strand (participates in β ladder)trans-105.7140.9170.8-78.4-23.3000110.9H92 T176 S178H92-D95 IonicContact CE1-OD1 3.73Å; H92-D95 PolarHBondContact CE1-OD1 2.91Å; H92-D95 IonicContact NE2-OD1 3.16Å; D95-T176 HydrophobicContact CB-CG2 3.83Å; D95-S178 VanDerWaalsContact OD1-CB 3.24Å; D95-S178 WeakPolarHBondContact OD1-CB 3.36Å; D95-S178 PolarHBondContact OD1-OG 3.09Å
96K97.3Very high90.3Very high27 Ų2770.7 Ų70.712%0.11737%0.374CS..EExtended strand (participates in β ladder)trans-125117175171.863.4-176.4-156.30109.8F94 V98 D102 L109 V110 P112 T176 V177 F179F94-K96 HydrophobicContact CD2-CB 4.49Å; F94-K96 HydrophobicContact CE2-CB 4.26Å; K96-V98 PolarHBondContact O-N 2.98Å; K96-D102 WeakPolarHBondContact CE-OD2 3.3Å; K96-D102 IonicContact NZ-OD2 3.65Å; K96-L109 HydrophobicContact CG-CD1 3.94Å; K96-V110 VanDerWaalsContact CE-O 3.3Å; K96-V110 WeakPolarHBondContact CE-O 2.77Å; K96-V110 PolarHBondContact NZ-O 3.08Å; K96-P112 HydrophobicContact CD-CG 4.33Å; K96-T176 WeakPolarHBondContact O-CA 3.38Å; K96-V177 PolarHBondContact N-O 2.92Å; K96-V177 PolarHBondContact O-N 2.98Å; K96-F179 HydrophobicContact CB-CE2 4.28Å
97V97.5Very high92Very high73 Ų7367.4 Ų67.444%0.44236%0.361SS..EExtended strand (participates in β ladder)trans-75.3123.4167.1-1780000108.6T99 D175V97-T99 PolarHBondContact O-N 3.1Å; V97-D175 WeakPolarHBondContact CA-O 3.4Å
98V97.2Very high93.4Very high2 Ų264.3 Ų64.31%0.01234%0.335CS..PPolyproline II helixtrans-72.2125.4-178.6-179.40000109.2K96 D102 V103 W162 G174 D175 V177K96-V98 PolarHBondContact O-N 2.98Å; V98-D102 HydrophobicContact CG1-CB 3.81Å; V98-V103 HydrophobicContact CG1-CB 4.32Å; V98-V103 HydrophobicContact CG1-CG1 3.28Å; V98-V103 HydrophobicContact CG1-CG2 4.36Å; V98-W162 HydrophobicContact CG1-CZ2 4.46Å; V98-W162 HydrophobicContact CG2-CH2 4.39Å; V98-G174 WeakPolarHBondContact O-CA 3.49Å; V98-G174 PolarHBondContact O-N 2.9Å; V98-D175 PolarHBondContact N-O 2.82Å; V98-V177 HydrophobicContact CG2-CG2 3.67Å
99T96.4Very high94.5Very high49 Ų4962.1 Ų62.130%0.30132%0.323SS..PPolyproline II helixtrans-92.7162.7178.466.10000111V97 S101 D102 V103V97-T99 PolarHBondContact O-N 3.1Å; T99-S101 PolarHBondContact O-N 3.37Å; T99-S101 VanDerWaalsContact O-N 3.14Å; T99-S101 PolarHBondContact OG1-OG 3.01Å; T99-D102 WeakPolarHBondContact CB-OD2 3.2Å; T99-D102 PolarHBondContact N-OD2 2.79Å; T99-D102 WeakPolarHBondContact O-CB 2.95Å; T99-D102 PolarHBondContact O-N 3.35Å; T99-D102 PolarHBondContact OG1-N 2.99Å; T99-D102 PolarHBondContact OG1-OD2 3.3Å; T99-V103 PolarHBondContact O-N 3.22Å
100P96.2Very high95Very high98 Ų9857.7 Ų57.764%0.63631%0.306SS*.Hα-helixtrans-55.7-29.1173.8-26.535.2000114D102 G104 A173P100-D102 VanDerWaalsContact C-N 3.34Å; P100-G104 VanDerWaalsContact O-CA 3.27Å; P100-G104 WeakPolarHBondContact O-CA 3.3Å; P100-G104 PolarHBondContact O-N 3.23Å; P100-A173 HydrophobicContact CB-CB 4.41Å; P100-A173 HydrophobicContact CG-CB 3.98Å
101S94.3Very high95.2Very high57 Ų5754 Ų5440%0.39929%0.29SS..Hα-helixtrans-72.8-25.6173.6410000113.6T99T99-S101 PolarHBondContact O-N 3.37Å; T99-S101 VanDerWaalsContact O-N 3.14Å; T99-S101 PolarHBondContact OG1-OG 3.01Å
102D96.8Very high95.3Very high1 Ų151.4 Ų51.41%0.00528%0.282CS..Hα-helixtrans-76.6-40.7179.7-60.2-53.8000111.2K96 V98 T99 P100 R108 L109 V110 W162K96-D102 WeakPolarHBondContact CE-OD2 3.3Å; K96-D102 IonicContact NZ-OD2 3.65Å; V98-D102 HydrophobicContact CG1-CB 3.81Å; T99-D102 WeakPolarHBondContact CB-OD2 3.2Å; T99-D102 PolarHBondContact N-OD2 2.79Å; T99-D102 WeakPolarHBondContact O-CB 2.95Å; T99-D102 PolarHBondContact O-N 3.35Å; T99-D102 PolarHBondContact OG1-N 2.99Å; T99-D102 PolarHBondContact OG1-OD2 3.3Å; P100-D102 VanDerWaalsContact C-N 3.34Å; D102-R108 WeakPolarHBondContact CA-O 3.27Å; D102-L109 HydrophobicContact CB-CD1 3.98Å; D102-V110 PolarHBondContact OD1-N 3.5Å; D102-W162 HydrophobicContact CB-CZ2 4.24Å; D102-W162 PolarHBondContact O-NE1 3.41Å
103V95.6Very high95.3Very high40 Ų4052.8 Ų52.824%0.24229%0.286CS..Hα-helixtrans-94-4.1176.7-710000114.1V98 T99 V166 L171 A173V98-V103 HydrophobicContact CG1-CB 4.32Å; V98-V103 HydrophobicContact CG1-CG1 3.28Å; V98-V103 HydrophobicContact CG1-CG2 4.36Å; T99-V103 PolarHBondContact O-N 3.22Å; V103-V166 HydrophobicContact CB-CG1 4.21Å; V103-V166 HydrophobicContact CG1-CG1 3.83Å; V103-V166 HydrophobicContact CG1-CG2 4.12Å; V103-L171 HydrophobicContact CG1-CB 4.26Å; V103-A173 HydrophobicContact CG2-CB 3.89Å
104G90.1Very high95.3Very high28 Ų2859 Ų5929%0.28932%0.315SS..SBendtrans-83.2-159-17900000112.4P100 L106 N107P100-G104 VanDerWaalsContact O-CA 3.27Å; P100-G104 WeakPolarHBondContact O-CA 3.3Å; P100-G104 PolarHBondContact O-N 3.23Å; G104-L106 PolarHBondContact O-N 3.34Å; G104-N107 PolarHBondContact O-N 3.35Å
105K88.9Confident95.2Very high185 Ų18560.9 Ų60.980%0.80432%0.324SS*.THydrogen-bonded Turntrans-69.1-5.5-174.7-56.2-169.9175.7-155.40115.5N107K105-N107 VanDerWaalsContact C-N 3.28Å
106L87.6Confident95.1Very high84 Ų8457.2 Ų57.244%0.4430%0.304SS..THydrogen-bonded Turntrans-82.8-10.1-176.3-74.385.6000112.7G104 R108G104-L106 PolarHBondContact O-N 3.34Å; L106-R108 HydrophobicContact CB-CG 4Å; L106-R108 PolarHBondContact O-N 3.33Å; L106-R108 PolarHBondContact O-NE 3.21Å
107N89Confident95Very high86 Ų8660.8 Ų60.846%0.4632%0.322SS..  trans45.538.6177.5-67.5-22.8000113G104 K105G104-N107 PolarHBondContact O-N 3.35Å; K105-N107 VanDerWaalsContact C-N 3.28Å
108R96.2Very high94.9Very high70 Ų7064.2 Ų64.226%0.26433%0.33SS..  trans-145.1144.7-177.971.9-168.167.3168.2-2.2111.6D102 L106 M158 T159 W162D102-R108 WeakPolarHBondContact CA-O 3.27Å; L106-R108 HydrophobicContact CB-CG 4Å; L106-R108 PolarHBondContact O-N 3.33Å; L106-R108 PolarHBondContact O-NE 3.21Å; R108-M158 CarbonylContact C-O 3.49Å; R108-M158 VanDerWaalsContact CA-O 3.24Å; R108-M158 WeakPolarHBondContact CA-O 3.33Å; R108-T159 HydrophobicContact CB-CG2 4.29Å; R108-W162 VanDerWaalsContact C-CD1 3.48Å
109L98.1Very high94.7Very high0 Ų066.5 Ų66.50%034%0.339CS..EExtended strand (participates in β ladder)trans-100.4124.3170.3-179.866.1000109.6K96 D102 I111 V157 M158 W162 F179K96-L109 HydrophobicContact CG-CD1 3.94Å; D102-L109 HydrophobicContact CB-CD1 3.98Å; L109-I111 HydrophobicContact CD2-CD1 3.65Å; L109-I111 HydrophobicContact CG-CD1 3.87Å; L109-V157 CarbonylContact O-C 3.49Å; L109-V157 WeakPolarHBondContact O-CA 3.24Å; L109-M158 HydrophobicContact CB-CB 4.28Å; L109-M158 HydrophobicContact CD2-SD 4.28Å; L109-M158 PolarHBondContact N-O 3.19Å; L109-M158 PolarHBondContact O-N 2.9Å; L109-W162 HydrophobicContact CB-CD2 3.72Å; L109-W162 HydrophobicContact CB-CE3 4.02Å; L109-W162 HydrophobicContact CB-CG 4.15Å; L109-W162 HydrophobicContact CB-CH2 4.39Å; L109-W162 HydrophobicContact CB-CZ2 4.12Å; L109-W162 HydrophobicContact CB-CZ3 4.34Å; L109-W162 HydrophobicContact CD1-CH2 3.92Å; L109-W162 HydrophobicContact CD1-CZ2 3.88Å; L109-W162 HydrophobicContact CD1-CZ3 4.45Å; L109-W162 HydrophobicContact CD2-CE3 4.09Å; L109-W162 HydrophobicContact CD2-CH2 4.11Å; L109-W162 HydrophobicContact CD2-CZ3 3.81Å; L109-W162 HydrophobicContact CG-CH2 4.37Å; L109-W162 HydrophobicContact CG-CZ2 4.43Å; L109-W162 HydrophobicContact CG-CZ3 4.43Å; L109-F179 HydrophobicContact CD2-CE2 4.22Å; L109-F179 HydrophobicContact CD2-CZ 3.69Å
110V97.2Very high94.5Very high49 Ų4964.5 Ų64.530%0.29733%0.326SS..EExtended strand (participates in β ladder)trans-86.1120.7173.2-177.60000110.4K96 D102 V157K96-V110 VanDerWaalsContact CE-O 3.3Å; K96-V110 WeakPolarHBondContact CE-O 2.77Å; K96-V110 PolarHBondContact NZ-O 3.08Å; D102-V110 PolarHBondContact OD1-N 3.5Å; V110-V157 HydrophobicContact CG2-CG1 4.16Å
111I97.5Very high94.3Very high2 Ų264 Ų641%0.0132%0.323CS..EExtended strand (participates in β ladder)trans-89.6125.8177.6-52.3-57.9000109.6F94 L109 K113 A116 Y147 Y156 M158 F179F94-I111 HydrophobicContact CE2-CG2 4.32Å; F94-I111 HydrophobicContact CZ-CD1 4.46Å; F94-I111 HydrophobicContact CZ-CG2 4Å; L109-I111 HydrophobicContact CD2-CD1 3.65Å; L109-I111 HydrophobicContact CG-CD1 3.87Å; I111-K113 PolarHBondContact O-N 3.11Å; I111-A116 HydrophobicContact CG2-CB 3.94Å; I111-Y147 HydrophobicContact CB-CE2 4.45Å; I111-Y147 HydrophobicContact CG1-CE2 4.11Å; I111-Y156 PolarHBondContact N-O 3.41Å; I111-M158 HydrophobicContact CD1-CE 3.86Å; I111-M158 HydrophobicContact CD1-CG 4.28Å; I111-M158 HydrophobicContact CD1-SD 4.1Å; I111-M158 HydrophobicContact CG1-CE 4.13Å; I111-M158 HydrophobicContact CG1-CG 4.22Å; I111-F179 HydrophobicContact CD1-CZ 4.46Å
112P96.9Very high94Very high42 Ų4262.9 Ų62.927%0.27331%0.313SS..PPolyproline II helixtrans-56.6131.8176-25.235000111.5K96 Q114 H115 A116K96-P112 HydrophobicContact CD-CG 4.33Å; P112-Q114 VanDerWaalsContact C-N 3.28Å; P112-Q114 HydrophobicContact CB-CG 4.39Å; P112-Q114 PolarHBondContact O-N 2.85Å; P112-Q114 VanDerWaalsContact O-N 3.15Å; P112-H115 PolarHBondContact O-N 3.05Å; P112-A116 PolarHBondContact O-N 3.27Å
113K95.6Very high93.3Very high124 Ų12468.5 Ų68.554%0.53934%0.342SS..Hα-helixtrans-48-47-175.5178.4172.5-176.6-176.70113.5I111 H115 A116 E117 Y156I111-K113 PolarHBondContact O-N 3.11Å; K113-H115 PolarHBondContact O-N 3.36Å; K113-A116 PolarHBondContact O-N 3.48Å; K113-E117 VanDerWaalsContact CE-CD 3.48Å; K113-E117 WeakPolarHBondContact CE-OE1 3.35Å; K113-E117 HydrophobicContact CG-CG 4.37Å; K113-E117 IonicContact NZ-OE1 3.54Å; K113-E117 PolarHBondContact O-N 3.3Å; K113-Y156 HydrophobicContact CG-CE2 4.1Å
114Q96.7Very high92.5Very high141 Ų14171.1 Ų71.166%0.65937%0.369SS*.Hα-helixtrans-58.6-31.4179.662.7178-76.900113.8P112 K118P112-Q114 VanDerWaalsContact C-N 3.28Å; P112-Q114 HydrophobicContact CB-CG 4.39Å; P112-Q114 PolarHBondContact O-N 2.85Å; P112-Q114 VanDerWaalsContact O-N 3.15Å; Q114-K118 WeakPolarHBondContact O-CB 3.42Å
115H96.8Very high91.8Very high44 Ų4474.1 Ų74.120%0.20439%0.39CS..Hα-helixtrans-87.2-41.5179.1-61.5-33.7000110.9F94 P112 K113 E117 K118 Y119F94-H115 HydrophobicContact CB-CB 4.26Å; F94-H115 HydrophobicContact CD1-CB 3.81Å; F94-H115 HydrophobicContact CD2-CB 4.01Å; F94-H115 AromaticContact CD2-CD2 3.61Å; F94-H115 AromaticContact CD2-CG 3.92Å; F94-H115 HydrophobicContact CE1-CB 4.12Å; F94-H115 HydrophobicContact CE2-CB 4.3Å; F94-H115 HydrophobicContact CG-CB 3.75Å; F94-H115 AromaticContact CG-CD2 3.74Å; F94-H115 AromaticContact CG-CG 3.66Å; F94-H115 HydrophobicContact CZ-CB 4.35Å; P112-H115 PolarHBondContact O-N 3.05Å; K113-H115 PolarHBondContact O-N 3.36Å; H115-E117 PolarHBondContact O-N 3.29Å; H115-K118 PolarHBondContact O-N 3.49Å; H115-Y119 HydrophobicContact CB-CD2 4.19Å; H115-Y119 WeakPolarHBondContact O-CB 3.12Å; H115-Y119 WeakPolarHBondContact O-CD2 3.34Å; H115-Y119 PolarHBondContact O-N 2.88Å
116A95.9Very high91.1Very high0 Ų066.9 Ų66.90%037%0.365CS..Hα-helixtrans-52-55.8174.100000112I111 P112 K113 K118 Y119 F120 Y147 Y156I111-A116 HydrophobicContact CG2-CB 3.94Å; P112-A116 PolarHBondContact O-N 3.27Å; K113-A116 PolarHBondContact O-N 3.48Å; A116-K118 VanDerWaalsContact C-N 3.28Å; A116-K118 PolarHBondContact O-N 3.01Å; A116-Y119 PolarHBondContact O-N 2.94Å; A116-F120 CarbonylContact O-C 3.53Å; A116-F120 WeakPolarHBondContact O-CA 3.4Å; A116-F120 PolarHBondContact O-N 2.95Å; A116-Y147 WeakPolarHBondContact CB-OH 3.38Å; A116-Y156 HydrophobicContact CB-CD1 3.81Å; A116-Y156 HydrophobicContact CB-CD2 3.48Å; A116-Y156 VanDerWaalsContact CB-CD2 3.48Å; A116-Y156 HydrophobicContact CB-CE1 4.23Å; A116-Y156 HydrophobicContact CB-CE2 3.97Å; A116-Y156 HydrophobicContact CB-CG 3.4Å
117E94.6Very high90.6Very high102 Ų10265.1 Ų65.148%0.47736%0.356SS..Hα-helixtrans-66-29.9-177-68.1176.9162.800113.1K113 H115 Y156K113-E117 VanDerWaalsContact CE-CD 3.48Å; K113-E117 WeakPolarHBondContact CE-OE1 3.35Å; K113-E117 HydrophobicContact CG-CG 4.37Å; K113-E117 IonicContact NZ-OE1 3.54Å; K113-E117 PolarHBondContact O-N 3.3Å; H115-E117 PolarHBondContact O-N 3.29Å; E117-Y156 HydrophobicContact CG-CE2 4.3Å
118K94.9Very high90.2Very high144 Ų14469.7 Ų69.763%0.62638%0.375SS*.Hα-helixtrans-79.5-40.2-178.7-175.2179.4176.6-162.90112.8Q114 H115 A116Q114-K118 WeakPolarHBondContact O-CB 3.42Å; H115-K118 PolarHBondContact O-N 3.49Å; A116-K118 VanDerWaalsContact C-N 3.28Å; A116-K118 PolarHBondContact O-N 3.01Å
119Y94.1Very high89.7Confident51 Ų5174.4 Ų74.420%0.240%0.397CS..Hα-helixtrans-113.1-27.9-165.1-66.9-53.8000113.8M93 F94 H115 A116M93-Y119 HydrophobicContact CB-CD1 3.9Å; M93-Y119 HydrophobicContact CB-CD2 3.94Å; M93-Y119 HydrophobicContact CB-CE1 3.95Å; M93-Y119 HydrophobicContact CB-CE2 3.97Å; M93-Y119 HydrophobicContact CB-CG 3.89Å; M93-Y119 HydrophobicContact CE-CD1 3.87Å; M93-Y119 HydrophobicContact CE-CG 3.93Å; M93-Y119 HydrophobicContact CG-CD1 4.09Å; M93-Y119 HydrophobicContact CG-CE1 4.34Å; M93-Y119 HydrophobicContact CG-CG 4.38Å; M93-Y119 WeakPolarHBondContact O-CE2 3.37Å; M93-Y119 PolarHBondContact O-OH 2.9Å; F94-Y119 HydrophobicContact CB-CE2 4.2Å; F94-Y119 AromaticContact CD1-CD2 3.58Å; F94-Y119 HydrophobicContact CD1-CD2 3.58Å; F94-Y119 AromaticContact CD1-CE2 4Å; F94-Y119 HydrophobicContact CD1-CE2 4Å; F94-Y119 HydrophobicContact CD1-CG 4.45Å; F94-Y119 HydrophobicContact CE1-CD2 4.22Å; F94-Y119 HydrophobicContact CG-CD2 4.48Å; H115-Y119 HydrophobicContact CB-CD2 4.19Å; H115-Y119 WeakPolarHBondContact O-CB 3.12Å; H115-Y119 WeakPolarHBondContact O-CD2 3.34Å; H115-Y119 PolarHBondContact O-N 2.88Å; A116-Y119 PolarHBondContact O-N 2.94Å
120F92.4Very high89.2Confident6 Ų675 Ų753%0.02640%0.404CS..SBendtrans-132.268.8-179.6-51.4-55.3000109.8M93 F94 A116 L122 L133 F135 Y147 M158 F179 L191M93-F120 HydrophobicContact CE-CD1 4.46Å; M93-F120 HydrophobicContact CE-CE1 3.77Å; M93-F120 HydrophobicContact CE-CZ 4.11Å; M93-F120 HydrophobicContact SD-CE1 4.23Å; M93-F120 HydrophobicContact SD-CZ 4.09Å; F94-F120 HydrophobicContact CE1-CD2 4.35Å; F94-F120 AromaticContact CE1-CE2 3.52Å; F94-F120 HydrophobicContact CE1-CE2 3.52Å; F94-F120 HydrophobicContact CE1-CZ 4.13Å; F94-F120 AromaticContact CZ-CE2 3.82Å; F94-F120 HydrophobicContact CZ-CE2 3.82Å; A116-F120 CarbonylContact O-C 3.53Å; A116-F120 WeakPolarHBondContact O-CA 3.4Å; A116-F120 PolarHBondContact O-N 2.95Å; F120-L122 PolarHBondContact O-N 3.29Å; F120-L133 HydrophobicContact CB-CD1 4.41Å; F120-L133 HydrophobicContact CD1-CD1 3.9Å; F120-L133 HydrophobicContact CD1-CD2 4.46Å; F120-L133 HydrophobicContact CD2-CD1 4.41Å; F120-L133 HydrophobicContact CE1-CD1 4.27Å; F120-L133 HydrophobicContact CG-CD1 4Å; F120-F135 HydrophobicContact CE1-CE1 4.12Å; F120-F135 AromaticContact CE1-CZ 3.79Å; F120-F135 HydrophobicContact CE1-CZ 3.79Å; F120-F135 HydrophobicContact CE2-CZ 4.35Å; F120-F135 AromaticContact CZ-CE1 3.81Å; F120-F135 HydrophobicContact CZ-CE1 3.81Å; F120-F135 AromaticContact CZ-CZ 3.54Å; F120-F135 HydrophobicContact CZ-CZ 3.54Å; F120-Y147 HydrophobicContact CB-CD1 4.23Å; F120-Y147 HydrophobicContact CB-CE1 3.49Å; F120-Y147 VanDerWaalsContact CB-CE1 3.49Å; F120-Y147 WeakPolarHBondContact O-CE1 3.49Å; F120-Y147 PolarHBondContact O-OH 3.11Å; F120-M158 HydrophobicContact CD2-CE 4.44Å; F120-M158 HydrophobicContact CE2-CE 4.04Å; F120-F179 HydrophobicContact CZ-CD1 4.49Å; F120-L191 HydrophobicContact CE1-CD1 4.02Å; F120-L191 HydrophobicContact CE1-CD2 4.19Å
121P90.3Very high89Confident87 Ų8775.9 Ų75.957%0.56540%0.404SS*.PPolyproline II helixtrans-59.7127.617625.7-33.3000109.9Q131P121-Q131 PolarHBondContact O-OE1 2.88Å
122L88.2Confident88.9Confident35 Ų3578.9 Ų78.918%0.18342%0.42CS..PPolyproline II helixtrans-97126174.3-77.7175.2000109.7F120 Q131 Y147 Y156F120-L122 PolarHBondContact O-N 3.29Å; L122-Q131 HydrophobicContact CD2-CB 3.76Å; L122-Y147 HydrophobicContact CD1-CD1 4.13Å; L122-Y147 HydrophobicContact CD1-CE1 3.71Å; L122-Y147 HydrophobicContact CD2-CD1 3.49Å; L122-Y147 VanDerWaalsContact CD2-CD1 3.49Å; L122-Y147 HydrophobicContact CD2-CE1 3.6Å; L122-Y147 HydrophobicContact CG-CD1 3.87Å; L122-Y147 HydrophobicContact CG-CE1 3.41Å; L122-Y147 VanDerWaalsContact CG-CE1 3.41Å; L122-Y156 HydrophobicContact CD1-CD1 3.66Å; L122-Y156 HydrophobicContact CD1-CE1 3.73Å; L122-Y156 HydrophobicContact CG-CE1 4.38Å
123D83.2Confident88.8Confident118 Ų11877.2 Ų77.263%0.63141%0.409SS*.PPolyproline II helixtrans-71.7135.6167-65.5-35.3000109.7A125 A126 N127D123-A125 PolarHBondContact O-N 3.27Å; D123-A125 VanDerWaalsContact O-N 3.13Å; D123-A126 HydrophobicContact CB-CB 4.04Å; D123-A126 PolarHBondContact O-N 2.81Å; D123-N127 PolarHBondContact O-N 3.41Å; D123-N127 VanDerWaalsContact O-N 3.16Å
124A77.7Confident88.9Confident96 Ų9673.7 Ų73.779%0.79340%0.4SS*.THydrogen-bonded Turntrans-55.2-34.9-179.900000112.3
125A75.2Confident88.9Confident90 Ų9067 Ų6774%0.74437%0.368SS*.THydrogen-bonded Turntrans-71.9-32.4175.700000113.4D123 N127D123-A125 PolarHBondContact O-N 3.27Å; D123-A125 VanDerWaalsContact O-N 3.13Å; A125-N127 VanDerWaalsContact C-N 3.3Å
126A74Confident89Confident33 Ų3367.8 Ų67.827%0.27337%0.372SS..G310 helixtrans-76.4-2017900000112.5D123 E128 K129 G130D123-A126 HydrophobicContact CB-CB 4.04Å; D123-A126 PolarHBondContact O-N 2.81Å; A126-E128 VanDerWaalsContact C-N 3.28Å; A126-E128 PolarHBondContact O-N 3.39Å; A126-K129 PolarHBondContact O-N 3.43Å; A126-G130 CarbonylContact O-C 3.56Å; A126-G130 WeakPolarHBondContact O-CA 3.48Å; A126-G130 PolarHBondContact O-N 2.81Å
127N79Confident89Confident47 Ų4767.8 Ų67.825%0.25137%0.373SS..G310 helixtrans-64.2-28.9-174.9-168.247.8000114D123 A125 K129 G130 Y149D123-N127 PolarHBondContact O-N 3.41Å; D123-N127 VanDerWaalsContact O-N 3.16Å; A125-N127 VanDerWaalsContact C-N 3.3Å; N127-K129 VanDerWaalsContact C-N 3.33Å; N127-K129 PolarHBondContact O-N 2.82Å; N127-G130 PolarHBondContact O-N 2.87Å; N127-Y149 PolarHBondContact ND2-O 2.74Å; N127-Y149 VanDerWaalsContact ND2-O 3.13Å; N127-Y149 WeakPolarHBondContact OD1-CA 3.43Å; N127-Y149 WeakPolarHBondContact OD1-CB 3.31Å; N127-Y149 PolarHBondContact OD1-N 2.91Å; N127-Y149 PolarHBondContact OD1-O 2.72Å
128E80.5Confident88.9Confident182 Ų18270.8 Ų70.885%0.8538%0.379SS*.G310 helixtrans-64.2-37.8-178.3-65.2-171.316900112.8A126A126-E128 VanDerWaalsContact C-N 3.28Å; A126-E128 PolarHBondContact O-N 3.39Å
129K84.3Confident88.9Confident169 Ų16967.6 Ų67.674%0.73538%0.38SS*.THydrogen-bonded Turntrans-97.6-17.4177.2-64.4178-175.8-76.70111.9A126 N127 R146A126-K129 PolarHBondContact O-N 3.43Å; N127-K129 VanDerWaalsContact C-N 3.33Å; N127-K129 PolarHBondContact O-N 2.82Å; K129-R146 PolarHBondContact O-NH1 2.76Å
130G88Confident88.9Confident14 Ų1467.3 Ų67.314%0.14439%0.393CS..  trans78.2147.4-168.500000111.9A126 N127 Y147 S148A126-G130 CarbonylContact O-C 3.56Å; A126-G130 WeakPolarHBondContact O-CA 3.48Å; A126-G130 PolarHBondContact O-N 2.81Å; N127-G130 PolarHBondContact O-N 2.87Å; G130-Y147 CarbonylContact C-O 3.44Å; G130-Y147 WeakPolarHBondContact CA-O 3.37Å; G130-S148 VanDerWaalsContact CA-OG 3.28Å; G130-S148 WeakPolarHBondContact CA-OG 3.35Å
131Q93.5Very high89.1Confident66 Ų6670.1 Ų70.131%0.30841%0.405SS..EExtended strand (participates in β ladder)trans-85.2135.9173.8-179.1178.5-300109.6P121 L122 L133 Y147P121-Q131 PolarHBondContact O-OE1 2.88Å; L122-Q131 HydrophobicContact CD2-CB 3.76Å; Q131-L133 HydrophobicContact CG-CD2 3.98Å; Q131-Y147 HydrophobicContact CB-CD1 4.48Å; Q131-Y147 PolarHBondContact N-O 3.48Å; Q131-Y147 WeakPolarHBondContact O-CA 3.48Å; Q131-Y147 WeakPolarHBondContact O-CB 3.41Å; Q131-Y147 PolarHBondContact O-N 3.23Å
132L94.6Very high89.4Confident65 Ų6570.9 Ų70.934%0.3440%0.404SS..EExtended strand (participates in β ladder)trans-92.3118.4174.2-163.369.3000109.9R144L132-R144 HydrophobicContact CD1-CB 4.24Å; L132-R144 VanDerWaalsContact CD2-NE 3.31Å; L132-R144 HydrophobicContact CG-CB 4.38Å
133L95.7Very high89.9Confident8 Ų869.5 Ų69.54%0.04240%0.396CS..EExtended strand (participates in β ladder)trans-105.4130.5178.7-60.8178.5000110F120 Q131 F135 R144 F145 Y147 M158 L191F120-L133 HydrophobicContact CB-CD1 4.41Å; F120-L133 HydrophobicContact CD1-CD1 3.9Å; F120-L133 HydrophobicContact CD1-CD2 4.46Å; F120-L133 HydrophobicContact CD2-CD1 4.41Å; F120-L133 HydrophobicContact CE1-CD1 4.27Å; F120-L133 HydrophobicContact CG-CD1 4Å; Q131-L133 HydrophobicContact CG-CD2 3.98Å; L133-F135 HydrophobicContact CB-CD2 4.18Å; L133-F135 HydrophobicContact CB-CE2 3.44Å; L133-F135 VanDerWaalsContact CB-CE2 3.44Å; L133-F135 HydrophobicContact CB-CZ 4.15Å; L133-F135 HydrophobicContact CD1-CE2 4.08Å; L133-F135 HydrophobicContact CD1-CZ 4.14Å; L133-F135 HydrophobicContact CG-CE2 4.41Å; L133-R144 CarbonylContact O-C 3.55Å; L133-R144 WeakPolarHBondContact O-CA 3.28Å; L133-F145 PolarHBondContact N-O 2.98Å; L133-F145 PolarHBondContact O-N 2.95Å; L133-Y147 HydrophobicContact CD1-CD1 3.87Å; L133-Y147 HydrophobicContact CD1-CD2 4.47Å; L133-Y147 HydrophobicContact CD1-CG 3.79Å; L133-Y147 HydrophobicContact CG-CD1 4.48Å; L133-Y147 HydrophobicContact CG-CG 4.48Å; L133-M158 HydrophobicContact CD1-CE 4.01Å; L133-L191 HydrophobicContact CB-CD1 4.43Å; L133-L191 HydrophobicContact CD2-CD1 4.26Å
134S97Very high90.5Very high49 Ų4969.3 Ų69.334%0.34339%0.387SS..EExtended strand (participates in β ladder)trans-109.5117.4-179.7-61.80000110.3W143S134-W143 CarbonylContact C-O 3.54Å; S134-W143 WeakPolarHBondContact CA-O 3.34Å
135F97.6Very high91.5Very high0 Ų064.8 Ų64.80%035%0.349CS..EExtended strand (participates in β ladder)trans-115.4136.2-179.5-64.8-95.6000111.6F120 L133 L142 W143 F145 M158 F179 L191 I193F120-F135 HydrophobicContact CE1-CE1 4.12Å; F120-F135 AromaticContact CE1-CZ 3.79Å; F120-F135 HydrophobicContact CE1-CZ 3.79Å; F120-F135 HydrophobicContact CE2-CZ 4.35Å; F120-F135 AromaticContact CZ-CE1 3.81Å; F120-F135 HydrophobicContact CZ-CE1 3.81Å; F120-F135 AromaticContact CZ-CZ 3.54Å; F120-F135 HydrophobicContact CZ-CZ 3.54Å; L133-F135 HydrophobicContact CB-CD2 4.18Å; L133-F135 HydrophobicContact CB-CE2 3.44Å; L133-F135 VanDerWaalsContact CB-CE2 3.44Å; L133-F135 HydrophobicContact CB-CZ 4.15Å; L133-F135 HydrophobicContact CD1-CE2 4.08Å; L133-F135 HydrophobicContact CD1-CZ 4.14Å; L133-F135 HydrophobicContact CG-CE2 4.41Å; F135-L142 CarbonylContact O-C 3.57Å; F135-L142 WeakPolarHBondContact O-CA 3.29Å; F135-W143 PolarHBondContact N-O 2.92Å; F135-W143 PolarHBondContact O-N 2.75Å; F135-F145 HydrophobicContact CB-CE2 4.46Å; F135-F145 AromaticContact CD2-CD2 3.48Å; F135-F145 HydrophobicContact CD2-CD2 3.48Å; F135-F145 VanDerWaalsContact CD2-CD2 3.48Å; F135-F145 AromaticContact CD2-CE2 3.77Å; F135-F145 HydrophobicContact CD2-CE2 3.77Å; F135-F145 AromaticContact CE2-CD2 3.79Å; F135-F145 HydrophobicContact CE2-CD2 3.79Å; F135-F145 HydrophobicContact CE2-CE2 4.39Å; F135-F145 HydrophobicContact CG-CD2 4.48Å; F135-F145 HydrophobicContact CG-CE2 4.38Å; F135-M158 HydrophobicContact CE2-CE 4.11Å; F135-M158 HydrophobicContact CZ-CE 4.06Å; F135-F179 HydrophobicContact CD1-CD1 4.09Å; F135-F179 AromaticContact CE1-CD1 3.56Å; F135-F179 HydrophobicContact CE1-CD1 3.56Å; F135-F179 HydrophobicContact CE1-CE1 4.23Å; F135-F179 AromaticContact CZ-CD1 3.88Å; F135-F179 HydrophobicContact CZ-CD1 3.88Å; F135-F179 HydrophobicContact CZ-CE1 4.18Å; F135-L191 CarbonylContact C-O 3.59Å; F135-L191 WeakPolarHBondContact CA-O 3.4Å; F135-L191 HydrophobicContact CD1-CB 3.38Å; F135-L191 HydrophobicContact CD1-CD1 4.4Å; F135-L191 HydrophobicContact CD1-CG 4.48Å; F135-L191 HydrophobicContact CE1-CB 3.52Å; F135-L191 HydrophobicContact CE1-CD1 3.86Å; F135-L191 HydrophobicContact CE1-CG 4.19Å; F135-L191 HydrophobicContact CE2-CD1 4.32Å; F135-L191 HydrophobicContact CG-CB 4.03Å; F135-L191 HydrophobicContact CZ-CB 4.3Å; F135-L191 HydrophobicContact CZ-CD1 3.83Å; F135-I193 HydrophobicContact CB-CB 3.78Å; F135-I193 HydrophobicContact CB-CG2 3.62Å; F135-I193 HydrophobicContact CD1-CB 4.28Å; F135-I193 HydrophobicContact CG-CB 4.24Å
136E97.5Very high92.4Very high61 Ų6164.8 Ų64.829%0.28533%0.329SS..EExtended strand (participates in β ladder)trans-96.5129.6173.4-170.2-173.3153.700111.2L142 L191 F192 I193E136-L142 HydrophobicContact CB-CD1 4.33Å; E136-L191 PolarHBondContact N-O 3.06Å; E136-F192 HydrophobicContact CB-CD1 3.75Å; E136-F192 HydrophobicContact CB-CE1 3.98Å; E136-F192 HydrophobicContact CG-CD1 4.37Å; E136-F192 HydrophobicContact CG-CE1 4.38Å; E136-F192 CarbonylContact O-C 3.59Å; E136-F192 WeakPolarHBondContact O-CA 3.26Å; E136-F192 WeakPolarHBondContact O-CB 3.43Å; E136-I193 PolarHBondContact O-N 2.81Å
137D96.2Very high93.5Very high1 Ų163.2 Ų63.21%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-77.6160.1176.1178.1-13.8000111.7A139 G140 K141 K169 I193 W195D137-A139 PolarHBondContact O-N 3.24Å; D137-A139 PolarHBondContact OD1-N 3.43Å; D137-G140 PolarHBondContact O-N 3.39Å; D137-K141 HydrophobicContact CB-CB 4.39Å; D137-K141 WeakPolarHBondContact CB-O 3.42Å; D137-K141 PolarHBondContact N-O 3.12Å; D137-K169 WeakPolarHBondContact OD2-CE 3.39Å; D137-K169 IonicContact OD2-NZ 3.63Å; D137-K169 PolarHBondContact OD2-NZ 3.1Å; D137-I193 WeakPolarHBondContact CA-O 3.28Å; D137-W195 HydrophobicContact CB-CZ3 4.44Å; D137-W195 VanDerWaalsContact CG-CH2 3.46Å; D137-W195 WeakPolarHBondContact OD1-CH2 3.47Å; D137-W195 WeakPolarHBondContact OD1-CZ3 3.17Å; D137-W195 WeakPolarHBondContact OD2-CH2 3.35Å; D137-W195 VanDerWaalsContact OD2-CZ3 3.28Å; D137-W195 WeakPolarHBondContact OD2-CZ3 3.5Å
138R93.3Very high94.3Very high164 Ų16461.6 Ų61.662%0.61931%0.309SS*.THydrogen-bonded Turntrans-48.8-23.8163.258171-172.2-1595.1115G140 D194 W195R138-G140 VanDerWaalsContact C-N 3.31Å; R138-D194 WeakPolarHBondContact CB-OD1 3.44Å; R138-W195 HydrophobicContact CG-CH2 4.11Å; R138-W195 HydrophobicContact CG-CZ3 4.3Å
139A94.3Very high95Very high78 Ų7855.5 Ų55.565%0.64528%0.279SS*.THydrogen-bonded Turntrans-83.70.5173.700000114.2D137 K141D137-A139 PolarHBondContact O-N 3.24Å; D137-A139 PolarHBondContact OD1-N 3.43Å; A139-K141 PolarHBondContact O-N 3.08Å
140G94Very high95.4Very high45 Ų4551.2 Ų51.246%0.46426%0.258SS..SBendtrans76.63.3-173.700000114.4D137 R138D137-G140 PolarHBondContact O-N 3.39Å; R138-G140 VanDerWaalsContact C-N 3.31Å
141K96.7Very high95.6Very high65 Ų6556.6 Ų56.628%0.28328%0.283SS..  trans-78.2133.3179.1-178.6168.7177.9169.20110.9D137 A139 W143 E168D137-K141 HydrophobicContact CB-CB 4.39Å; D137-K141 WeakPolarHBondContact CB-O 3.42Å; D137-K141 PolarHBondContact N-O 3.12Å; A139-K141 PolarHBondContact O-N 3.08Å; K141-W143 HydrophobicContact CD-CH2 4.43Å; K141-W143 HydrophobicContact CD-CZ2 3.74Å; K141-W143 HydrophobicContact CG-CZ2 4.36Å; K141-E168 WeakPolarHBondContact CD-OE1 3.38Å; K141-E168 VanDerWaalsContact NZ-CD 3.29Å; K141-E168 IonicContact NZ-OE1 3.64Å; K141-E168 PolarHBondContact NZ-OE1 3.33Å; K141-E168 IonicContact NZ-OE2 3.8Å; K141-E168 PolarHBondContact NZ-OE2 2.97Å
142L97.1Very high95.6Very high103 Ų10359 Ų5954%0.53931%0.308SS..EExtended strand (participates in β ladder)trans-87.2133.1176.9-157.471000111.4F135 E136F135-L142 CarbonylContact O-C 3.57Å; F135-L142 WeakPolarHBondContact O-CA 3.29Å; E136-L142 HydrophobicContact CB-CD1 4.33Å
143W97.8Very high95.5Very high6 Ų658.8 Ų58.82%0.02331%0.311CS..EExtended strand (participates in β ladder)trans-119.8117.9179.6-65.695.5000109.5S134 F135 K141 F145 R164 F165 E168 I193S134-W143 CarbonylContact C-O 3.54Å; S134-W143 WeakPolarHBondContact CA-O 3.34Å; F135-W143 PolarHBondContact N-O 2.92Å; F135-W143 PolarHBondContact O-N 2.75Å; K141-W143 HydrophobicContact CD-CH2 4.43Å; K141-W143 HydrophobicContact CD-CZ2 3.74Å; K141-W143 HydrophobicContact CG-CZ2 4.36Å; W143-F145 HydrophobicContact CB-CE1 4.36Å; W143-F145 HydrophobicContact CB-CE2 3.78Å; W143-F145 HydrophobicContact CB-CZ 3.63Å; W143-F145 HydrophobicContact CG-CZ 4.31Å; W143-R164 HydrophobicContact CH2-CG 4.45Å; W143-R164 HydrophobicContact CZ3-CB 4.09Å; W143-R164 HydrophobicContact CZ3-CG 3.9Å; W143-F165 HydrophobicContact CD2-CB 4.36Å; W143-F165 AromaticContact CD2-CD2 3.51Å; W143-F165 HydrophobicContact CD2-CD2 3.51Å; W143-F165 HydrophobicContact CD2-CE2 4.28Å; W143-F165 HydrophobicContact CD2-CG 4.39Å; W143-F165 AromaticContact CE2-CD2 3.49Å; W143-F165 VanDerWaalsContact CE2-CD2 3.49Å; W143-F165 HydrophobicContact CE3-CB 3.8Å; W143-F165 AromaticContact CE3-CD2 3.83Å; W143-F165 HydrophobicContact CE3-CD2 3.83Å; W143-F165 HydrophobicContact CE3-CG 4.31Å; W143-F165 AromaticContact CG-CD2 3.97Å; W143-F165 HydrophobicContact CG-CD2 3.97Å; W143-F165 HydrophobicContact CG-CE2 4.4Å; W143-F165 HydrophobicContact CH2-CB 4.33Å; W143-F165 HydrophobicContact CH2-CD2 4.1Å; W143-F165 AromaticContact CZ2-CD2 3.8Å; W143-F165 HydrophobicContact CZ2-CD2 3.8Å; W143-F165 HydrophobicContact CZ2-CE2 4.46Å; W143-F165 HydrophobicContact CZ3-CB 3.79Å; W143-F165 HydrophobicContact CZ3-CD2 4.12Å; W143-F165 HydrophobicContact CZ3-CG 4.48Å; W143-F165 AromaticContact NE1-CD2 3.87Å; W143-F165 AromaticContact NE1-CE2 3.92Å; W143-E168 HydrophobicContact CH2-CB 3.83Å; W143-E168 VanDerWaalsContact CH2-CD 3.48Å; W143-E168 HydrophobicContact CH2-CG 4.21Å; W143-E168 VanDerWaalsContact CH2-OE2 3.3Å; W143-E168 WeakPolarHBondContact CH2-OE2 3.48Å; W143-E168 HydrophobicContact CZ2-CB 4.43Å; W143-E168 HydrophobicContact CZ2-CG 4.45Å; W143-E168 WeakPolarHBondContact CZ2-OE1 3.42Å; W143-I193 HydrophobicContact CG-CG2 4.48Å
144R97.2Very high95.5Very high114 Ų11465 Ų6543%0.4334%0.34SS..EExtended strand (participates in β ladder)trans-101.3120.6-179.9-64.2173.776-178.1-2.9109L132 L133L132-R144 HydrophobicContact CD1-CB 4.24Å; L132-R144 VanDerWaalsContact CD2-NE 3.31Å; L132-R144 HydrophobicContact CG-CB 4.38Å; L133-R144 CarbonylContact O-C 3.55Å; L133-R144 WeakPolarHBondContact O-CA 3.28Å
145F97.2Very high95.4Very high0 Ų064.5 Ų64.50%034%0.336CS..EExtended strand (participates in β ladder)trans-116.3129.2179.2-56.9-61000111.5L133 F135 W143 Y147 M158 K160 G161 W162 F165 I193L133-F145 PolarHBondContact N-O 2.98Å; L133-F145 PolarHBondContact O-N 2.95Å; F135-F145 HydrophobicContact CB-CE2 4.46Å; F135-F145 AromaticContact CD2-CD2 3.48Å; F135-F145 HydrophobicContact CD2-CD2 3.48Å; F135-F145 VanDerWaalsContact CD2-CD2 3.48Å; F135-F145 AromaticContact CD2-CE2 3.77Å; F135-F145 HydrophobicContact CD2-CE2 3.77Å; F135-F145 AromaticContact CE2-CD2 3.79Å; F135-F145 HydrophobicContact CE2-CD2 3.79Å; F135-F145 HydrophobicContact CE2-CE2 4.39Å; F135-F145 HydrophobicContact CG-CD2 4.48Å; F135-F145 HydrophobicContact CG-CE2 4.38Å; W143-F145 HydrophobicContact CB-CE1 4.36Å; W143-F145 HydrophobicContact CB-CE2 3.78Å; W143-F145 HydrophobicContact CB-CZ 3.63Å; W143-F145 HydrophobicContact CG-CZ 4.31Å; F145-Y147 PolarHBondContact O-N 3.42Å; F145-M158 HydrophobicContact CB-CB 4.15Å; F145-M158 HydrophobicContact CB-CG 4.23Å; F145-M158 HydrophobicContact CB-SD 4.12Å; F145-M158 HydrophobicContact CD2-SD 4.03Å; F145-M158 HydrophobicContact CG-SD 4.17Å; F145-K160 VanDerWaalsContact CA-O 3.28Å; F145-K160 WeakPolarHBondContact CA-O 3.47Å; F145-G161 WeakPolarHBondContact CE1-O 3.27Å; F145-W162 HydrophobicContact CD1-CB 4.41Å; F145-W162 HydrophobicContact CE1-CB 4.49Å; F145-F165 HydrophobicContact CE1-CB 4.05Å; F145-F165 HydrophobicContact CZ-CB 4.08Å; F145-F165 HydrophobicContact CZ-CD2 4.43Å; F145-F165 HydrophobicContact CZ-CG 4.16Å; F145-I193 HydrophobicContact CE2-CD1 3.79Å; F145-I193 HydrophobicContact CZ-CD1 4.03Å
146R95.7Very high95.4Very high90 Ų9065.9 Ų65.934%0.3434%0.342SS..EExtended strand (participates in β ladder)trans-77.3110.3168.2-174.4-175.1-60-88.3-0.1109.1K129 M158 T159 K160K129-R146 PolarHBondContact O-NH1 2.76Å; R146-M158 CarbonylContact O-C 3.57Å; R146-M158 WeakPolarHBondContact O-CA 3.11Å; R146-T159 PolarHBondContact O-N 3.48Å; R146-T159 PolarHBondContact O-OG1 3.29Å; R146-T159 VanDerWaalsContact O-OG1 3.11Å; R146-K160 HydrophobicContact CB-CB 3.94Å; R146-K160 PolarHBondContact N-O 2.7Å
147Y96.4Very high95.4Very high0 Ų063.1 Ų63.10%033%0.329CS..EExtended strand (participates in β ladder)trans-101130.7-179.3177.3-120.9000110.9I111 A116 F120 L122 G130 Q131 L133 F145 Y156 V157 M158I111-Y147 HydrophobicContact CB-CE2 4.45Å; I111-Y147 HydrophobicContact CG1-CE2 4.11Å; A116-Y147 WeakPolarHBondContact CB-OH 3.38Å; F120-Y147 HydrophobicContact CB-CD1 4.23Å; F120-Y147 HydrophobicContact CB-CE1 3.49Å; F120-Y147 VanDerWaalsContact CB-CE1 3.49Å; F120-Y147 WeakPolarHBondContact O-CE1 3.49Å; F120-Y147 PolarHBondContact O-OH 3.11Å; L122-Y147 HydrophobicContact CD1-CD1 4.13Å; L122-Y147 HydrophobicContact CD1-CE1 3.71Å; L122-Y147 HydrophobicContact CD2-CD1 3.49Å; L122-Y147 VanDerWaalsContact CD2-CD1 3.49Å; L122-Y147 HydrophobicContact CD2-CE1 3.6Å; L122-Y147 HydrophobicContact CG-CD1 3.87Å; L122-Y147 HydrophobicContact CG-CE1 3.41Å; L122-Y147 VanDerWaalsContact CG-CE1 3.41Å; G130-Y147 CarbonylContact C-O 3.44Å; G130-Y147 WeakPolarHBondContact CA-O 3.37Å; Q131-Y147 HydrophobicContact CB-CD1 4.48Å; Q131-Y147 PolarHBondContact N-O 3.48Å; Q131-Y147 WeakPolarHBondContact O-CA 3.48Å; Q131-Y147 WeakPolarHBondContact O-CB 3.41Å; Q131-Y147 PolarHBondContact O-N 3.23Å; L133-Y147 HydrophobicContact CD1-CD1 3.87Å; L133-Y147 HydrophobicContact CD1-CD2 4.47Å; L133-Y147 HydrophobicContact CD1-CG 3.79Å; L133-Y147 HydrophobicContact CG-CD1 4.48Å; L133-Y147 HydrophobicContact CG-CG 4.48Å; F145-Y147 PolarHBondContact O-N 3.42Å; Y147-Y156 HydrophobicContact CE2-CD1 4.23Å; Y147-Y156 AromaticContact CZ-CD1 3.73Å; Y147-Y156 WeakPolarHBondContact OH-CD1 3.47Å; Y147-V157 WeakPolarHBondContact CA-O 3.24Å; Y147-V157 WeakPolarHBondContact CD2-O 3.47Å; Y147-M158 HydrophobicContact CD2-CG 4.01Å
148S95Very high95.4Very high13 Ų1363 Ų639%0.09133%0.329CS..EExtended strand (participates in β ladder)trans-151.7153.7-175.2-50.90000112G130 V157G130-S148 VanDerWaalsContact CA-OG 3.28Å; G130-S148 WeakPolarHBondContact CA-OG 3.35Å; S148-V157 PolarHBondContact N-O 2.87Å; S148-V157 PolarHBondContact O-N 3.11Å
149Y95.6Very high95.5Very high55 Ų5556.7 Ų56.722%0.21631%0.308CS..EExtended strand (participates in β ladder)trans-95.1118.9168.8-179.2-103000110.3N127 Q154 Y156N127-Y149 PolarHBondContact ND2-O 2.74Å; N127-Y149 VanDerWaalsContact ND2-O 3.13Å; N127-Y149 WeakPolarHBondContact OD1-CA 3.43Å; N127-Y149 WeakPolarHBondContact OD1-CB 3.31Å; N127-Y149 PolarHBondContact OD1-N 2.91Å; N127-Y149 PolarHBondContact OD1-O 2.72Å; Y149-Q154 VanDerWaalsContact CE2-C 3.49Å; Y149-Q154 VanDerWaalsContact OH-CA 3.27Å; Y149-Q154 WeakPolarHBondContact OH-CA 3.22Å; Y149-Q154 WeakPolarHBondContact OH-CB 3.01Å; Y149-Y156 AromaticContact CD2-CD1 3.89Å; Y149-Y156 HydrophobicContact CD2-CD1 3.89Å; Y149-Y156 AromaticContact CD2-CD2 3.94Å; Y149-Y156 HydrophobicContact CD2-CD2 3.94Å; Y149-Y156 AromaticContact CD2-CE1 3.74Å; Y149-Y156 HydrophobicContact CD2-CE1 3.74Å; Y149-Y156 AromaticContact CD2-CE2 3.74Å; Y149-Y156 HydrophobicContact CD2-CE2 3.74Å; Y149-Y156 HydrophobicContact CD2-CG 4Å; Y149-Y156 AromaticContact CD2-CZ 3.65Å; Y149-Y156 HydrophobicContact CE2-CD2 4.28Å; Y149-Y156 AromaticContact CE2-CE2 3.91Å; Y149-Y156 HydrophobicContact CE2-CE2 3.91Å; Y149-Y156 HydrophobicContact CG-CE1 4.3Å
150W93.4Very high95.5Very high79 Ų7955.5 Ų55.530%0.29929%0.289SS..EExtended strand (participates in β ladder)trans-92.8108.9-179.4-76.728000109.9S152 S153 Q154 S155 V157 T159W150-S152 VanDerWaalsContact C-N 3.34Å; W150-S152 PolarHBondContact O-N 3.25Å; W150-S153 PolarHBondContact O-N 2.6Å; W150-Q154 VanDerWaalsContact O-CA 3.27Å; W150-Q154 WeakPolarHBondContact O-CA 3.27Å; W150-Q154 PolarHBondContact O-N 2.84Å; W150-S155 PolarHBondContact N-O 3.05Å; W150-S155 PolarHBondContact O-N 3.4Å; W150-V157 HydrophobicContact CD2-CG2 3.92Å; W150-V157 VanDerWaalsContact CE2-CG2 3.48Å; W150-V157 HydrophobicContact CG-CG2 3.83Å; W150-V157 HydrophobicContact CZ2-CG2 4.16Å; W150-T159 HydrophobicContact CZ2-CG2 3.98Å
151N91.9Very high95.5Very high127 Ų12753.9 Ų53.968%0.67927%0.272SS*.THydrogen-bonded Turntrans-64.2-35.9-172.9-17061000113.2Q154N151-Q154 PolarHBondContact O-N 2.65Å
152S92.7Very high95.6Very high117 Ų11750.9 Ų50.982%0.81826%0.259SS*.THydrogen-bonded Turntrans-66.9-38.3-17756.70000113.4W150W150-S152 VanDerWaalsContact C-N 3.34Å; W150-S152 PolarHBondContact O-N 3.25Å
153S93Very high95.5Very high60 Ų6047.1 Ų47.142%0.4224%0.241SC..THydrogen-bonded Turntrans-99.9-1.5177.659.90000113.2W150 S155W150-S153 PolarHBondContact O-N 2.6Å; S153-S155 PolarHBondContact O-N 3.38Å; S153-S155 PolarHBondContact O-OG 2.75Å
154Q95.3Very high95.4Very high139 Ų13952.6 Ų52.665%0.6526%0.262SS*.THydrogen-bonded Turntrans48.839.4-174.2-60-172.1-51.900113.5Y149 W150 N151Y149-Q154 VanDerWaalsContact CE2-C 3.49Å; Y149-Q154 VanDerWaalsContact OH-CA 3.27Å; Y149-Q154 WeakPolarHBondContact OH-CA 3.22Å; Y149-Q154 WeakPolarHBondContact OH-CB 3.01Å; W150-Q154 VanDerWaalsContact O-CA 3.27Å; W150-Q154 WeakPolarHBondContact O-CA 3.27Å; W150-Q154 PolarHBondContact O-N 2.84Å; N151-Q154 PolarHBondContact O-N 2.65Å
155S96.1Very high95.4Very high37 Ų3747.1 Ų47.126%0.25924%0.241SC..EExtended strand (participates in β ladder)trans-125.2145-170.5-64.60000111.6W150 S153W150-S155 PolarHBondContact N-O 3.05Å; W150-S155 PolarHBondContact O-N 3.4Å; S153-S155 PolarHBondContact O-N 3.38Å; S153-S155 PolarHBondContact O-OG 2.75Å
156Y97Very high95.3Very high29 Ų2948.1 Ų48.111%0.11425%0.247CC..EExtended strand (participates in β ladder)trans-87.8132.2171.3-64.9-92000109.2I111 K113 A116 E117 L122 Y147 Y149I111-Y156 PolarHBondContact N-O 3.41Å; K113-Y156 HydrophobicContact CG-CE2 4.1Å; A116-Y156 HydrophobicContact CB-CD1 3.81Å; A116-Y156 HydrophobicContact CB-CD2 3.48Å; A116-Y156 VanDerWaalsContact CB-CD2 3.48Å; A116-Y156 HydrophobicContact CB-CE1 4.23Å; A116-Y156 HydrophobicContact CB-CE2 3.97Å; A116-Y156 HydrophobicContact CB-CG 3.4Å; E117-Y156 HydrophobicContact CG-CE2 4.3Å; L122-Y156 HydrophobicContact CD1-CD1 3.66Å; L122-Y156 HydrophobicContact CD1-CE1 3.73Å; L122-Y156 HydrophobicContact CG-CE1 4.38Å; Y147-Y156 HydrophobicContact CE2-CD1 4.23Å; Y147-Y156 AromaticContact CZ-CD1 3.73Å; Y147-Y156 WeakPolarHBondContact OH-CD1 3.47Å; Y149-Y156 AromaticContact CD2-CD1 3.89Å; Y149-Y156 HydrophobicContact CD2-CD1 3.89Å; Y149-Y156 AromaticContact CD2-CD2 3.94Å; Y149-Y156 HydrophobicContact CD2-CD2 3.94Å; Y149-Y156 AromaticContact CD2-CE1 3.74Å; Y149-Y156 HydrophobicContact CD2-CE1 3.74Å; Y149-Y156 AromaticContact CD2-CE2 3.74Å; Y149-Y156 HydrophobicContact CD2-CE2 3.74Å; Y149-Y156 HydrophobicContact CD2-CG 4Å; Y149-Y156 AromaticContact CD2-CZ 3.65Å; Y149-Y156 HydrophobicContact CE2-CD2 4.28Å; Y149-Y156 AromaticContact CE2-CE2 3.91Å; Y149-Y156 HydrophobicContact CE2-CE2 3.91Å; Y149-Y156 HydrophobicContact CG-CE1 4.3Å
157V96.6Very high95.3Very high3 Ų349.2 Ų49.22%0.01825%0.254CS..EExtended strand (participates in β ladder)trans-137148.9-176.9-570000112.3L109 V110 Y147 S148 W150 T159L109-V157 CarbonylContact O-C 3.49Å; L109-V157 WeakPolarHBondContact O-CA 3.24Å; V110-V157 HydrophobicContact CG2-CG1 4.16Å; Y147-V157 WeakPolarHBondContact CA-O 3.24Å; Y147-V157 WeakPolarHBondContact CD2-O 3.47Å; S148-V157 PolarHBondContact N-O 2.87Å; S148-V157 PolarHBondContact O-N 3.11Å; W150-V157 HydrophobicContact CD2-CG2 3.92Å; W150-V157 VanDerWaalsContact CE2-CG2 3.48Å; W150-V157 HydrophobicContact CG-CG2 3.83Å; W150-V157 HydrophobicContact CZ2-CG2 4.16Å; V157-T159 HydrophobicContact CG2-CG2 3.99Å
158M97Very high95.3Very high0 Ų053.1 Ų53.10%027%0.273CS..EExtended strand (participates in β ladder)trans-104.4130.5163-63.4179.3-177.200108.6R108 L109 I111 F120 L133 F135 F145 R146 Y147 F179R108-M158 CarbonylContact C-O 3.49Å; R108-M158 VanDerWaalsContact CA-O 3.24Å; R108-M158 WeakPolarHBondContact CA-O 3.33Å; L109-M158 HydrophobicContact CB-CB 4.28Å; L109-M158 HydrophobicContact CD2-SD 4.28Å; L109-M158 PolarHBondContact N-O 3.19Å; L109-M158 PolarHBondContact O-N 2.9Å; I111-M158 HydrophobicContact CD1-CE 3.86Å; I111-M158 HydrophobicContact CD1-CG 4.28Å; I111-M158 HydrophobicContact CD1-SD 4.1Å; I111-M158 HydrophobicContact CG1-CE 4.13Å; I111-M158 HydrophobicContact CG1-CG 4.22Å; F120-M158 HydrophobicContact CD2-CE 4.44Å; F120-M158 HydrophobicContact CE2-CE 4.04Å; L133-M158 HydrophobicContact CD1-CE 4.01Å; F135-M158 HydrophobicContact CE2-CE 4.11Å; F135-M158 HydrophobicContact CZ-CE 4.06Å; F145-M158 HydrophobicContact CB-CB 4.15Å; F145-M158 HydrophobicContact CB-CG 4.23Å; F145-M158 HydrophobicContact CB-SD 4.12Å; F145-M158 HydrophobicContact CD2-SD 4.03Å; F145-M158 HydrophobicContact CG-SD 4.17Å; R146-M158 CarbonylContact O-C 3.57Å; R146-M158 WeakPolarHBondContact O-CA 3.11Å; Y147-M158 HydrophobicContact CD2-CG 4.01Å; M158-F179 HydrophobicContact CE-CE1 3.92Å; M158-F179 HydrophobicContact CE-CZ 4.31Å; M158-F179 HydrophobicContact SD-CE1 4.15Å; M158-F179 HydrophobicContact SD-CZ 4.3Å
159T95.6Very high95.3Very high30 Ų3053.7 Ų53.718%0.18427%0.273CS..  trans-116.3-98.5-17452.10000111.3R108 R146 W150 V157 G161 W162R108-T159 HydrophobicContact CB-CG2 4.29Å; R146-T159 PolarHBondContact O-N 3.48Å; R146-T159 PolarHBondContact O-OG1 3.29Å; R146-T159 VanDerWaalsContact O-OG1 3.11Å; W150-T159 HydrophobicContact CZ2-CG2 3.98Å; V157-T159 HydrophobicContact CG2-CG2 3.99Å; T159-G161 PolarHBondContact O-N 3.15Å; T159-W162 WeakPolarHBondContact O-CB 3.17Å; T159-W162 PolarHBondContact O-N 3.23Å
160K93.6Very high95.3Very high54 Ų5460.2 Ų60.224%0.23530%0.298CS..THydrogen-bonded Turntrans-45.1134.8179.4-174.8173.4179.6172.40110.3E25 E28 F145 R146 W162E25-K160 WeakPolarHBondContact OE1-CE 3.43Å; E28-K160 IonicContact OE2-NZ 2.69Å; E28-K160 PolarHBondContact OE2-NZ 3.12Å; E28-K160 VanDerWaalsContact OE2-NZ 3.17Å; F145-K160 VanDerWaalsContact CA-O 3.28Å; F145-K160 WeakPolarHBondContact CA-O 3.47Å; R146-K160 HydrophobicContact CB-CB 3.94Å; R146-K160 PolarHBondContact N-O 2.7Å; K160-W162 VanDerWaalsContact C-N 3.32Å; K160-W162 PolarHBondContact O-N 3Å
161G95.6Very high95.5Very high11 Ų1156.8 Ų56.811%0.11329%0.285CS..THydrogen-bonded Turntrans85.9-21.3-177.300000115.6F145 T159 R164 F165F145-G161 WeakPolarHBondContact CE1-O 3.27Å; T159-G161 PolarHBondContact O-N 3.15Å; G161-R164 PolarHBondContact O-N 3.01Å; G161-F165 PolarHBondContact O-N 2.95Å; G161-F165 VanDerWaalsContact O-N 3.16Å
162W97.9Very high95.7Very high2 Ų255.5 Ų55.51%0.00828%0.278CS..Hα-helixtrans-67.7-46.1-177.1171.9-109.8000113.2V98 D102 R108 L109 F145 T159 K160 R164 F165 V166 L171 V177V98-W162 HydrophobicContact CG1-CZ2 4.46Å; V98-W162 HydrophobicContact CG2-CH2 4.39Å; D102-W162 HydrophobicContact CB-CZ2 4.24Å; D102-W162 PolarHBondContact O-NE1 3.41Å; R108-W162 VanDerWaalsContact C-CD1 3.48Å; L109-W162 HydrophobicContact CB-CD2 3.72Å; L109-W162 HydrophobicContact CB-CE3 4.02Å; L109-W162 HydrophobicContact CB-CG 4.15Å; L109-W162 HydrophobicContact CB-CH2 4.39Å; L109-W162 HydrophobicContact CB-CZ2 4.12Å; L109-W162 HydrophobicContact CB-CZ3 4.34Å; L109-W162 HydrophobicContact CD1-CH2 3.92Å; L109-W162 HydrophobicContact CD1-CZ2 3.88Å; L109-W162 HydrophobicContact CD1-CZ3 4.45Å; L109-W162 HydrophobicContact CD2-CE3 4.09Å; L109-W162 HydrophobicContact CD2-CH2 4.11Å; L109-W162 HydrophobicContact CD2-CZ3 3.81Å; L109-W162 HydrophobicContact CG-CH2 4.37Å; L109-W162 HydrophobicContact CG-CZ2 4.43Å; L109-W162 HydrophobicContact CG-CZ3 4.43Å; F145-W162 HydrophobicContact CD1-CB 4.41Å; F145-W162 HydrophobicContact CE1-CB 4.49Å; T159-W162 WeakPolarHBondContact O-CB 3.17Å; T159-W162 PolarHBondContact O-N 3.23Å; K160-W162 VanDerWaalsContact C-N 3.32Å; K160-W162 PolarHBondContact O-N 3Å; W162-R164 VanDerWaalsContact C-N 3.28Å; W162-R164 PolarHBondContact O-N 3.22Å; W162-F165 HydrophobicContact CE3-CD1 4.04Å; W162-F165 HydrophobicContact CH2-CD1 4.37Å; W162-F165 AromaticContact CZ3-CD1 3.59Å; W162-F165 HydrophobicContact CZ3-CD1 3.59Å; W162-F165 HydrophobicContact CZ3-CE1 4.12Å; W162-F165 WeakPolarHBondContact O-CB 3.41Å; W162-F165 PolarHBondContact O-N 2.9Å; W162-F165 VanDerWaalsContact O-N 3.1Å; W162-V166 HydrophobicContact CD2-CG2 3.94Å; W162-V166 HydrophobicContact CE3-CG2 4.43Å; W162-V166 HydrophobicContact CH2-CG2 3.94Å; W162-V166 HydrophobicContact CZ2-CG2 3.37Å; W162-V166 HydrophobicContact CZ3-CG2 4.44Å; W162-V166 WeakPolarHBondContact O-CG2 3.47Å; W162-V166 PolarHBondContact O-N 3.34Å; W162-L171 HydrophobicContact CH2-CD1 3.9Å; W162-L171 HydrophobicContact CZ3-CD1 4.36Å; W162-V177 HydrophobicContact CH2-CG2 4.15Å; W162-V177 HydrophobicContact CZ3-CG2 4.46Å
163S95Very high95.8Very high24 Ų2452.1 Ų52.117%0.16826%0.258CS..Hα-helixtrans-55.6-43.8176.751.90000111.6F165 V166 K167S163-F165 PolarHBondContact O-N 2.82Å; S163-V166 PolarHBondContact O-N 2.73Å; S163-K167 WeakPolarHBondContact O-CB 3.42Å; S163-K167 WeakPolarHBondContact O-CG 3.37Å; S163-K167 PolarHBondContact O-N 2.91Å
164R95.4Very high96Very high120 Ų12049.5 Ų49.545%0.45324%0.24SC..Hα-helixtrans-60.1-43.6175.6-165.7-178.8-176.91723.5112.1E25 W143 G161 W162 K167 E168E25-R164 IonicContact OE2-NH1 2.95Å; E25-R164 PolarHBondContact OE2-NH1 3.42Å; W143-R164 HydrophobicContact CH2-CG 4.45Å; W143-R164 HydrophobicContact CZ3-CB 4.09Å; W143-R164 HydrophobicContact CZ3-CG 3.9Å; G161-R164 PolarHBondContact O-N 3.01Å; W162-R164 VanDerWaalsContact C-N 3.28Å; W162-R164 PolarHBondContact O-N 3.22Å; R164-K167 PolarHBondContact O-N 2.92Å; R164-E168 VanDerWaalsContact O-CB 3.3Å; R164-E168 WeakPolarHBondContact O-CB 3.49Å; R164-E168 PolarHBondContact O-N 2.88Å
165F97Very high96.1Very high0 Ų043.3 Ų43.30%021%0.211CC..Hα-helixtrans-62.6-45.2176.2-175.1-107.3000111.9W143 F145 G161 W162 S163 K169 L171 V177 I193 W195W143-F165 HydrophobicContact CD2-CB 4.36Å; W143-F165 AromaticContact CD2-CD2 3.51Å; W143-F165 HydrophobicContact CD2-CD2 3.51Å; W143-F165 HydrophobicContact CD2-CE2 4.28Å; W143-F165 HydrophobicContact CD2-CG 4.39Å; W143-F165 AromaticContact CE2-CD2 3.49Å; W143-F165 VanDerWaalsContact CE2-CD2 3.49Å; W143-F165 HydrophobicContact CE3-CB 3.8Å; W143-F165 AromaticContact CE3-CD2 3.83Å; W143-F165 HydrophobicContact CE3-CD2 3.83Å; W143-F165 HydrophobicContact CE3-CG 4.31Å; W143-F165 AromaticContact CG-CD2 3.97Å; W143-F165 HydrophobicContact CG-CD2 3.97Å; W143-F165 HydrophobicContact CG-CE2 4.4Å; W143-F165 HydrophobicContact CH2-CB 4.33Å; W143-F165 HydrophobicContact CH2-CD2 4.1Å; W143-F165 AromaticContact CZ2-CD2 3.8Å; W143-F165 HydrophobicContact CZ2-CD2 3.8Å; W143-F165 HydrophobicContact CZ2-CE2 4.46Å; W143-F165 HydrophobicContact CZ3-CB 3.79Å; W143-F165 HydrophobicContact CZ3-CD2 4.12Å; W143-F165 HydrophobicContact CZ3-CG 4.48Å; W143-F165 AromaticContact NE1-CD2 3.87Å; W143-F165 AromaticContact NE1-CE2 3.92Å; F145-F165 HydrophobicContact CE1-CB 4.05Å; F145-F165 HydrophobicContact CZ-CB 4.08Å; F145-F165 HydrophobicContact CZ-CD2 4.43Å; F145-F165 HydrophobicContact CZ-CG 4.16Å; G161-F165 PolarHBondContact O-N 2.95Å; G161-F165 VanDerWaalsContact O-N 3.16Å; W162-F165 HydrophobicContact CE3-CD1 4.04Å; W162-F165 HydrophobicContact CH2-CD1 4.37Å; W162-F165 AromaticContact CZ3-CD1 3.59Å; W162-F165 HydrophobicContact CZ3-CD1 3.59Å; W162-F165 HydrophobicContact CZ3-CE1 4.12Å; W162-F165 WeakPolarHBondContact O-CB 3.41Å; W162-F165 PolarHBondContact O-N 2.9Å; W162-F165 VanDerWaalsContact O-N 3.1Å; S163-F165 PolarHBondContact O-N 2.82Å; F165-K169 HydrophobicContact CD2-CG 3.89Å; F165-K169 HydrophobicContact CE2-CG 3.68Å; F165-K169 HydrophobicContact CG-CG 4.44Å; F165-K169 HydrophobicContact CZ-CG 4.05Å; F165-K169 WeakPolarHBondContact O-CB 3.3Å; F165-K169 WeakPolarHBondContact O-CG 3.32Å; F165-K169 PolarHBondContact O-N 2.91Å; F165-L171 HydrophobicContact CD1-CD1 3.61Å; F165-L171 HydrophobicContact CE1-CD1 3.55Å; F165-V177 HydrophobicContact CE1-CG1 4.38Å; F165-V177 HydrophobicContact CE1-CG2 4.27Å; F165-I193 HydrophobicContact CD1-CD1 4.28Å; F165-I193 HydrophobicContact CE1-CD1 3.68Å; F165-I193 HydrophobicContact CE1-CG1 4.29Å; F165-I193 HydrophobicContact CE2-CD1 4.05Å; F165-I193 HydrophobicContact CE2-CG1 4.37Å; F165-I193 HydrophobicContact CE2-CG2 4.13Å; F165-I193 HydrophobicContact CZ-CD1 3.56Å; F165-I193 HydrophobicContact CZ-CG1 3.79Å; F165-I193 HydrophobicContact CZ-CG2 4.38Å; F165-W195 HydrophobicContact CE2-CE3 4.14Å; F165-W195 HydrophobicContact CE2-CZ3 4.22Å; F165-W195 HydrophobicContact CZ-CD2 4.45Å; F165-W195 AromaticContact CZ-CE3 3.74Å; F165-W195 HydrophobicContact CZ-CE3 3.74Å; F165-W195 HydrophobicContact CZ-CZ3 4.28Å
166V96.5Very high96.1Very high21 Ų2142.5 Ų42.513%0.12721%0.205CC..Hα-helixtrans-59.5-49.4176.7169.50000111.4V103 W162 S163 R170 L171V103-V166 HydrophobicContact CB-CG1 4.21Å; V103-V166 HydrophobicContact CG1-CG1 3.83Å; V103-V166 HydrophobicContact CG1-CG2 4.12Å; W162-V166 HydrophobicContact CD2-CG2 3.94Å; W162-V166 HydrophobicContact CE3-CG2 4.43Å; W162-V166 HydrophobicContact CH2-CG2 3.94Å; W162-V166 HydrophobicContact CZ2-CG2 3.37Å; W162-V166 HydrophobicContact CZ3-CG2 4.44Å; W162-V166 WeakPolarHBondContact O-CG2 3.47Å; W162-V166 PolarHBondContact O-N 3.34Å; S163-V166 PolarHBondContact O-N 2.73Å; V166-R170 VanDerWaalsContact O-CA 3.26Å; V166-R170 WeakPolarHBondContact O-CA 3.3Å; V166-R170 PolarHBondContact O-N 2.88Å; V166-L171 HydrophobicContact CG1-CB 4.34Å; V166-L171 HydrophobicContact CG2-CD1 4.24Å; V166-L171 PolarHBondContact O-N 3.41Å
167K95.4Very high96.2Very high113 Ų11341.1 Ų41.149%0.49120%0.199SC..Hα-helixtrans-62.3-50.4-179.8-73.4178179.1178.90111.5E18 S163 R164 R170E18-K167 IonicContact OE1-NZ 2.71Å; E18-K167 PolarHBondContact OE1-NZ 2.98Å; E18-K167 IonicContact OE2-NZ 3.17Å; E18-K167 PolarHBondContact OE2-NZ 2.97Å; S163-K167 WeakPolarHBondContact O-CB 3.42Å; S163-K167 WeakPolarHBondContact O-CG 3.37Å; S163-K167 PolarHBondContact O-N 2.91Å; R164-K167 PolarHBondContact O-N 2.92Å; K167-R170 PolarHBondContact O-N 3.35Å
168E96.4Very high96.2Very high82 Ų8242 Ų4238%0.38321%0.205SC..Hα-helixtrans-68.4-42.3-175.6-172.4175.8127.300112.4K141 W143 R164 R170K141-E168 WeakPolarHBondContact CD-OE1 3.38Å; K141-E168 VanDerWaalsContact NZ-CD 3.29Å; K141-E168 IonicContact NZ-OE1 3.64Å; K141-E168 PolarHBondContact NZ-OE1 3.33Å; K141-E168 IonicContact NZ-OE2 3.8Å; K141-E168 PolarHBondContact NZ-OE2 2.97Å; W143-E168 HydrophobicContact CH2-CB 3.83Å; W143-E168 VanDerWaalsContact CH2-CD 3.48Å; W143-E168 HydrophobicContact CH2-CG 4.21Å; W143-E168 VanDerWaalsContact CH2-OE2 3.3Å; W143-E168 WeakPolarHBondContact CH2-OE2 3.48Å; W143-E168 HydrophobicContact CZ2-CB 4.43Å; W143-E168 HydrophobicContact CZ2-CG 4.45Å; W143-E168 WeakPolarHBondContact CZ2-OE1 3.42Å; R164-E168 VanDerWaalsContact O-CB 3.3Å; R164-E168 WeakPolarHBondContact O-CB 3.49Å; R164-E168 PolarHBondContact O-N 2.88Å; E168-R170 VanDerWaalsContact C-N 3.26Å; E168-R170 PolarHBondContact O-N 2.92Å
169K95.2Very high96.3Very high25 Ų2542 Ų4211%0.10921%0.205CC..Hα-helixtrans-84.5-5.6-179.9-56.7-37.9-172.7-173.60113D137 F165 L171 W195 R197D137-K169 WeakPolarHBondContact OD2-CE 3.39Å; D137-K169 IonicContact OD2-NZ 3.63Å; D137-K169 PolarHBondContact OD2-NZ 3.1Å; F165-K169 HydrophobicContact CD2-CG 3.89Å; F165-K169 HydrophobicContact CE2-CG 3.68Å; F165-K169 HydrophobicContact CG-CG 4.44Å; F165-K169 HydrophobicContact CZ-CG 4.05Å; F165-K169 WeakPolarHBondContact O-CB 3.3Å; F165-K169 WeakPolarHBondContact O-CG 3.32Å; F165-K169 PolarHBondContact O-N 2.91Å; K169-L171 VanDerWaalsContact C-N 3.35Å; K169-L171 HydrophobicContact CB-CD2 4.23Å; K169-L171 HydrophobicContact CB-CG 4.09Å; K169-W195 HydrophobicContact CB-CD2 4.15Å; K169-W195 HydrophobicContact CB-CG 4.5Å; K169-W195 HydrophobicContact CB-CZ2 4.18Å; K169-W195 HydrophobicContact CD-CH2 3.47Å; K169-W195 VanDerWaalsContact CD-CH2 3.47Å; K169-W195 HydrophobicContact CD-CZ2 3.41Å; K169-W195 VanDerWaalsContact CD-CZ2 3.41Å; K169-W195 HydrophobicContact CD-CZ3 4.03Å; K169-W195 HydrophobicContact CG-CD2 4.05Å; K169-W195 HydrophobicContact CG-CE3 4.1Å; K169-W195 HydrophobicContact CG-CH2 3.93Å; K169-W195 HydrophobicContact CG-CZ2 3.81Å; K169-W195 HydrophobicContact CG-CZ3 4.03Å; K169-R197 PolarHBondContact O-NH2 2.74Å
170R95.7Very high96.3Very high192 Ų19241.1 Ų41.173%0.72520%0.201SC*.THydrogen-bonded Turntrans51.255.7-176.8-55.7178.8-178.1-171.3-1.1110.2V166 K167 E168 R197V166-R170 VanDerWaalsContact O-CA 3.26Å; V166-R170 WeakPolarHBondContact O-CA 3.3Å; V166-R170 PolarHBondContact O-N 2.88Å; K167-R170 PolarHBondContact O-N 3.35Å; E168-R170 VanDerWaalsContact C-N 3.26Å; E168-R170 PolarHBondContact O-N 2.92Å; R170-R197 PolarHBondContact O-NH1 2.94Å; R170-R197 PolarHBondContact O-NH2 3.41Å
171L96.1Very high96.4Very high6 Ų642.9 Ų42.93%0.03121%0.206CC..  trans-76.8134.6178.9-65.6-179.6000110.3V103 W162 F165 V166 K169 D175 V177 W195V103-L171 HydrophobicContact CG1-CB 4.26Å; W162-L171 HydrophobicContact CH2-CD1 3.9Å; W162-L171 HydrophobicContact CZ3-CD1 4.36Å; F165-L171 HydrophobicContact CD1-CD1 3.61Å; F165-L171 HydrophobicContact CE1-CD1 3.55Å; V166-L171 HydrophobicContact CG1-CB 4.34Å; V166-L171 HydrophobicContact CG2-CD1 4.24Å; V166-L171 PolarHBondContact O-N 3.41Å; K169-L171 VanDerWaalsContact C-N 3.35Å; K169-L171 HydrophobicContact CB-CD2 4.23Å; K169-L171 HydrophobicContact CB-CG 4.09Å; L171-D175 HydrophobicContact CD2-CB 4.47Å; L171-V177 HydrophobicContact CD1-CG2 3.91Å; L171-W195 HydrophobicContact CD2-CB 3.75Å; L171-W195 HydrophobicContact CD2-CG 3.84Å
172D95.9Very high96.4Very high100 Ų10042.3 Ų42.354%0.53520%0.2SC..  trans-113159.6175.2-75-56000111.6G174 D175 R197D172-G174 PolarHBondContact O-N 3.42Å; D172-G174 VanDerWaalsContact O-N 3.08Å; D172-D175 PolarHBondContact N-OD2 3.47Å; D172-D175 WeakPolarHBondContact O-CB 2.96Å; D172-D175 PolarHBondContact O-N 2.61Å; D172-R197 IonicContact OD2-NH1 3.97Å
173A95.7Very high95.8Very high47 Ų4743.5 Ų43.539%0.38821%0.211SC..THydrogen-bonded Turntrans-57.7119.4173.700000109.8P100 V103P100-A173 HydrophobicContact CB-CB 4.41Å; P100-A173 HydrophobicContact CG-CB 3.98Å; V103-A173 HydrophobicContact CG2-CB 3.89Å
174G96.3Very high95.2Very high5 Ų543.6 Ų43.65%0.05222%0.215CC..THydrogen-bonded Turntrans105.8-9.2-179.700000115.7V98 D172 R198V98-G174 WeakPolarHBondContact O-CA 3.49Å; V98-G174 PolarHBondContact O-N 2.9Å; D172-G174 PolarHBondContact O-N 3.42Å; D172-G174 VanDerWaalsContact O-N 3.08Å; G174-R198 PolarHBondContact O-NE 2.84Å; G174-R198 PolarHBondContact O-NH2 3.04Å
175D97.1Very high94.5Very high8 Ų844.3 Ų44.34%0.04323%0.228CC..  trans-64.8161.1166.2-69.8-15.6000110.7V97 V98 L171 D172 R197 R198V97-D175 WeakPolarHBondContact CA-O 3.4Å; V98-D175 PolarHBondContact N-O 2.82Å; L171-D175 HydrophobicContact CD2-CB 4.47Å; D172-D175 PolarHBondContact N-OD2 3.47Å; D172-D175 WeakPolarHBondContact O-CB 2.96Å; D172-D175 PolarHBondContact O-N 2.61Å; D175-R197 VanDerWaalsContact OD1-CA 3.25Å; D175-R197 WeakPolarHBondContact OD1-CA 3.07Å; D175-R197 IonicContact OD2-NH1 3.85Å; D175-R198 PolarHBondContact OD1-N 2.69Å
176T97.8Very high93.9Very high20 Ų2050.9 Ų50.912%0.12327%0.268CS..EExtended strand (participates in β ladder)trans-112.6129179.3-52.40000109.7D95 K96 W195 K196D95-T176 HydrophobicContact CB-CG2 3.83Å; K96-T176 WeakPolarHBondContact O-CA 3.38Å; T176-W195 CarbonylContact O-C 3.57Å; T176-W195 VanDerWaalsContact O-CA 3.28Å; T176-W195 WeakPolarHBondContact O-CA 3.27Å; T176-K196 PolarHBondContact N-O 3.49Å; T176-K196 PolarHBondContact O-N 2.57Å
177V98Very high93.5Very high0 Ų050.4 Ų50.40%027%0.267CS..EExtended strand (participates in β ladder)trans-103.5129.6169.2178.30000108.1K96 V98 W162 F165 L171 F179 I193 D194K96-V177 PolarHBondContact N-O 2.92Å; K96-V177 PolarHBondContact O-N 2.98Å; V98-V177 HydrophobicContact CG2-CG2 3.67Å; W162-V177 HydrophobicContact CH2-CG2 4.15Å; W162-V177 HydrophobicContact CZ3-CG2 4.46Å; F165-V177 HydrophobicContact CE1-CG1 4.38Å; F165-V177 HydrophobicContact CE1-CG2 4.27Å; L171-V177 HydrophobicContact CD1-CG2 3.91Å; V177-F179 HydrophobicContact CB-CE2 4.34Å; V177-F179 HydrophobicContact CG1-CD2 4.35Å; V177-F179 HydrophobicContact CG1-CE1 4.41Å; V177-F179 HydrophobicContact CG1-CE2 3.69Å; V177-F179 HydrophobicContact CG1-CZ 3.73Å; V177-I193 HydrophobicContact CG1-CD1 3.77Å; V177-I193 HydrophobicContact CG1-CG1 3.74Å; V177-D194 CarbonylContact C-O 3.55Å; V177-D194 WeakPolarHBondContact CA-O 3.21Å
178S97.8Very high93.1Very high21 Ų2149.7 Ų49.715%0.14726%0.261CS..EExtended strand (participates in β ladder)trans-110131.3-178.3-59.90000109.3D95 I193 D194D95-S178 VanDerWaalsContact OD1-CB 3.24Å; D95-S178 WeakPolarHBondContact OD1-CB 3.36Å; D95-S178 PolarHBondContact OD1-OG 3.09Å; S178-I193 WeakPolarHBondContact O-CA 3.34Å; S178-D194 PolarHBondContact N-O 3.16Å; S178-D194 PolarHBondContact O-N 3.48Å
179F98Very high92.8Very high0 Ų052.6 Ų52.60%028%0.279CS..EExtended strand (participates in β ladder)trans-109.5132.1176.9-64-88.6000109.5M93 F94 K96 L109 I111 F120 F135 M158 V177 I193M93-F179 WeakPolarHBondContact CA-O 3.46Å; M93-F179 VanDerWaalsContact CB-O 3.27Å; M93-F179 WeakPolarHBondContact CB-O 3.16Å; M93-F179 PolarHBondContact N-O 3.47Å; M93-F179 HydrophobicContact SD-CB 4.46Å; F94-F179 HydrophobicContact CD1-CB 4.13Å; F94-F179 AromaticContact CD2-CD2 3.99Å; F94-F179 HydrophobicContact CD2-CD2 3.99Å; F94-F179 HydrophobicContact CE1-CB 3.77Å; F94-F179 AromaticContact CE1-CD2 3.95Å; F94-F179 HydrophobicContact CE1-CD2 3.95Å; F94-F179 AromaticContact CE1-CG 3.96Å; F94-F179 HydrophobicContact CE1-CG 3.96Å; F94-F179 AromaticContact CE2-CD2 3.31Å; F94-F179 HydrophobicContact CE2-CD2 3.31Å; F94-F179 AromaticContact CE2-CE2 3.7Å; F94-F179 HydrophobicContact CE2-CE2 3.7Å; F94-F179 HydrophobicContact CE2-CG 4.16Å; F94-F179 HydrophobicContact CZ-CB 4.02Å; F94-F179 HydrophobicContact CZ-CD1 4.49Å; F94-F179 AromaticContact CZ-CD2 3.28Å; F94-F179 HydrophobicContact CZ-CD2 3.28Å; F94-F179 AromaticContact CZ-CE2 3.81Å; F94-F179 HydrophobicContact CZ-CE2 3.81Å; F94-F179 AromaticContact CZ-CG 3.68Å; F94-F179 HydrophobicContact CZ-CG 3.68Å; F94-F179 PolarHBondContact N-O 2.67Å; F94-F179 PolarHBondContact O-N 3.28Å; K96-F179 HydrophobicContact CB-CE2 4.28Å; L109-F179 HydrophobicContact CD2-CE2 4.22Å; L109-F179 HydrophobicContact CD2-CZ 3.69Å; I111-F179 HydrophobicContact CD1-CZ 4.46Å; F120-F179 HydrophobicContact CZ-CD1 4.49Å; F135-F179 HydrophobicContact CD1-CD1 4.09Å; F135-F179 AromaticContact CE1-CD1 3.56Å; F135-F179 HydrophobicContact CE1-CD1 3.56Å; F135-F179 HydrophobicContact CE1-CE1 4.23Å; F135-F179 AromaticContact CZ-CD1 3.88Å; F135-F179 HydrophobicContact CZ-CD1 3.88Å; F135-F179 HydrophobicContact CZ-CE1 4.18Å; M158-F179 HydrophobicContact CE-CE1 3.92Å; M158-F179 HydrophobicContact CE-CZ 4.31Å; M158-F179 HydrophobicContact SD-CE1 4.15Å; M158-F179 HydrophobicContact SD-CZ 4.3Å; V177-F179 HydrophobicContact CB-CE2 4.34Å; V177-F179 HydrophobicContact CG1-CD2 4.35Å; V177-F179 HydrophobicContact CG1-CE1 4.41Å; V177-F179 HydrophobicContact CG1-CE2 3.69Å; V177-F179 HydrophobicContact CG1-CZ 3.73Å; F179-I193 HydrophobicContact CD1-CG1 4.49Å; F179-I193 HydrophobicContact CE1-CD1 3.87Å; F179-I193 HydrophobicContact CE1-CG1 4.28Å; F179-I193 HydrophobicContact CZ-CD1 4.29Å
180C96.7Very high92.8Very high12 Ų1257.7 Ų57.78%0.08130%0.298CS..EExtended strand (participates in β ladder)trans-134.2157.8-176.9-580000111K90 E91 M93 L191 F192K90-C180 HydrophobicContact CB-CB 4.13Å; E91-C180 CarbonylContact O-C 3.54Å; E91-C180 VanDerWaalsContact O-CA 3.24Å; E91-C180 WeakPolarHBondContact O-CA 3.4Å; E91-C180 WeakPolarHBondContact O-CB 2.97Å; M93-C180 VanDerWaalsContact SD-C 3.59Å; C180-L191 WeakPolarHBondContact O-CA 3.47Å; C180-F192 HydrophobicContact CB-CB 4.12Å; C180-F192 PolarHBondContact N-O 3.16Å; C180-F192 PolarHBondContact O-N 3.46Å
181R95.7Very high92.8Very high91 Ų9149.8 Ų49.834%0.34327%0.269SS..EExtended strand (participates in β ladder)trans-120149.6176.6-171.5177.2-171.6179.71.3109.1K90 E91 M93 A183 R188 R190 L191K90-R181 CarbonylContact C-O 3.08Å; K90-R181 WeakPolarHBondContact CA-O 2.79Å; E91-R181 PolarHBondContact N-O 3.06Å; E91-R181 PolarHBondContact O-N 2.92Å; M93-R181 HydrophobicContact CE-CB 4.12Å; M93-R181 HydrophobicContact CG-CB 4.01Å; M93-R181 HydrophobicContact SD-CB 3.98Å; R181-A183 PolarHBondContact O-N 3.18Å; R181-R188 WeakPolarHBondContact CG-O 3.45Å; R181-R188 VanDerWaalsContact CZ-O 3.3Å; R181-R188 PolarHBondContact NE-O 2.84Å; R181-R188 PolarHBondContact NH2-O 3.06Å; R181-R188 VanDerWaalsContact NH2-O 3.09Å; R181-R190 WeakPolarHBondContact CA-O 3.5Å; R181-L191 HydrophobicContact CG-CD2 4.38Å
182G94.4Very high92.9Very high0 Ų049.5 Ų49.50%027%0.268CS..EExtended strand (participates in β ladder)trans-64.3130.4173.800000112A187 R188 R190G182-A187 VanDerWaalsContact CA-O 3.3Å; G182-A187 WeakPolarHBondContact CA-O 3.47Å; G182-R188 WeakPolarHBondContact O-CA 3.33Å; G182-R190 PolarHBondContact N-O 2.95Å
183A85.8Confident93Very high27 Ų2744.8 Ų44.822%0.22324%0.243CC..SBendtrans-89.2110.4173.300000108.8E89 E91 R181E89-A183 HydrophobicContact CB-CB 3.82Å; E89-A183 HydrophobicContact CG-CB 3.69Å; E89-A183 WeakPolarHBondContact O-CA 3.3Å; E89-A183 VanDerWaalsContact O-CB 3.31Å; E89-A183 WeakPolarHBondContact O-CB 3.48Å; E89-A183 PolarHBondContact O-N 3.19Å; E91-A183 HydrophobicContact CB-CB 4.34Å; R181-A183 PolarHBondContact O-N 3.18Å
184G82.6Confident93.1Very high26 Ų2644.5 Ų44.527%0.26824%0.235SC..SBendtrans139143.9-177.900000111T186 A187 R188G184-T186 PolarHBondContact O-N 3.41Å; G184-T186 VanDerWaalsContact O-N 3.12Å; G184-A187 PolarHBondContact O-N 2.66Å; G184-R188 WeakPolarHBondContact O-CG 3.24Å; G184-R188 PolarHBondContact O-N 2.72Å
185D81.2Confident93.1Very high134 Ų13445.6 Ų45.672%0.71724%0.237SC*.THydrogen-bonded Turntrans-59.1-29.6-173.1-59-65.3000113.2R188D185-R188 IonicContact OD1-CZ 3.25Å; D185-R188 IonicContact OD1-NH1 2.61Å; D185-R188 PolarHBondContact OD1-NH1 3.28Å; D185-R188 IonicContact OD1-NH2 2.6Å
186T84.3Confident93Very high139 Ų13951.5 Ų51.585%0.85326%0.262SS*.THydrogen-bonded Turntrans-83.3-20.5177.556.10000114.1G184G184-T186 PolarHBondContact O-N 3.41Å; G184-T186 VanDerWaalsContact O-N 3.12Å
187A86.8Confident92.9Very high11 Ų1156.2 Ų56.29%0.09128%0.278CS..THydrogen-bonded Turntrans-109.1-4.4-174.300000113.1I88 G182 G184 D189 R190I88-A187 HydrophobicContact CG2-CB 4.48Å; G182-A187 VanDerWaalsContact CA-O 3.3Å; G182-A187 WeakPolarHBondContact CA-O 3.47Å; G184-A187 PolarHBondContact O-N 2.66Å; A187-D189 PolarHBondContact O-N 3.01Å; A187-D189 VanDerWaalsContact O-N 3.09Å; A187-R190 WeakPolarHBondContact O-CB 3.28Å; A187-R190 PolarHBondContact O-N 3.35Å
188R87.9Confident92.5Very high98 Ų9862.9 Ų62.937%0.3730%0.303SS..THydrogen-bonded Turntrans-58.7-24.3-178.8-68-125.5177.977.77.6113R181 G182 G184 D185 R190R181-R188 WeakPolarHBondContact CG-O 3.45Å; R181-R188 VanDerWaalsContact CZ-O 3.3Å; R181-R188 PolarHBondContact NE-O 2.84Å; R181-R188 PolarHBondContact NH2-O 3.06Å; R181-R188 VanDerWaalsContact NH2-O 3.09Å; G182-R188 WeakPolarHBondContact O-CA 3.33Å; G184-R188 WeakPolarHBondContact O-CG 3.24Å; G184-R188 PolarHBondContact O-N 2.72Å; D185-R188 IonicContact OD1-CZ 3.25Å; D185-R188 IonicContact OD1-NH1 2.61Å; D185-R188 PolarHBondContact OD1-NH1 3.28Å; D185-R188 IonicContact OD1-NH2 2.6Å; R188-R190 VanDerWaalsContact C-N 3.3Å
189D90.3Very high91.6Very high143 Ų14365.9 Ų65.977%0.76533%0.329SS*.THydrogen-bonded Turntrans-84.3-8.1177.5-60.8-30.8000113.3A187A187-D189 PolarHBondContact O-N 3.01Å; A187-D189 VanDerWaalsContact O-N 3.09Å
190R94.7Very high89.9Confident132 Ų13271 Ų7150%0.49836%0.357SS..  trans-86.2132.1176.9-59.9-173.4179.4-170.50.5110.5R181 G182 A187 R188 F192R181-R190 WeakPolarHBondContact CA-O 3.5Å; G182-R190 PolarHBondContact N-O 2.95Å; A187-R190 WeakPolarHBondContact O-CB 3.28Å; A187-R190 PolarHBondContact O-N 3.35Å; R188-R190 VanDerWaalsContact C-N 3.3Å; R190-F192 HydrophobicContact CB-CE2 3.92Å; R190-F192 HydrophobicContact CB-CZ 4.04Å
191L96.8Very high87.8Confident25 Ų2575.2 Ų75.213%0.13139%0.387CS..EExtended strand (participates in β ladder)trans-110.5146.3174.9-53.6172.6000109.3M93 F120 L133 F135 E136 C180 R181M93-L191 HydrophobicContact CE-CD2 4.13Å; M93-L191 HydrophobicContact SD-CD2 4.34Å; F120-L191 HydrophobicContact CE1-CD1 4.02Å; F120-L191 HydrophobicContact CE1-CD2 4.19Å; L133-L191 HydrophobicContact CB-CD1 4.43Å; L133-L191 HydrophobicContact CD2-CD1 4.26Å; F135-L191 CarbonylContact C-O 3.59Å; F135-L191 WeakPolarHBondContact CA-O 3.4Å; F135-L191 HydrophobicContact CD1-CB 3.38Å; F135-L191 HydrophobicContact CD1-CD1 4.4Å; F135-L191 HydrophobicContact CD1-CG 4.48Å; F135-L191 HydrophobicContact CE1-CB 3.52Å; F135-L191 HydrophobicContact CE1-CD1 3.86Å; F135-L191 HydrophobicContact CE1-CG 4.19Å; F135-L191 HydrophobicContact CE2-CD1 4.32Å; F135-L191 HydrophobicContact CG-CB 4.03Å; F135-L191 HydrophobicContact CZ-CB 4.3Å; F135-L191 HydrophobicContact CZ-CD1 3.83Å; E136-L191 PolarHBondContact N-O 3.06Å; C180-L191 WeakPolarHBondContact O-CA 3.47Å; R181-L191 HydrophobicContact CG-CD2 4.38Å
192F97.3Very high86Confident1 Ų180.6 Ų80.60%0.00441%0.407CS..EExtended strand (participates in β ladder)trans-129.7146.9-179.4-58.8-87.5000110.5I88 K90 E136 C180 R190I88-F192 HydrophobicContact CB-CZ 4.47Å; I88-F192 HydrophobicContact CD1-CE1 4.45Å; I88-F192 HydrophobicContact CD1-CZ 4.08Å; I88-F192 HydrophobicContact CG2-CE2 4.1Å; I88-F192 HydrophobicContact CG2-CZ 3.84Å; K90-F192 HydrophobicContact CD-CB 3.94Å; K90-F192 HydrophobicContact CD-CD1 4.09Å; K90-F192 HydrophobicContact CD-CD2 3.91Å; K90-F192 HydrophobicContact CD-CE2 4.47Å; K90-F192 HydrophobicContact CD-CG 3.71Å; K90-F192 HydrophobicContact CG-CD2 3.91Å; K90-F192 HydrophobicContact CG-CE2 4.15Å; K90-F192 HydrophobicContact CG-CG 4.24Å; E136-F192 HydrophobicContact CB-CD1 3.75Å; E136-F192 HydrophobicContact CB-CE1 3.98Å; E136-F192 HydrophobicContact CG-CD1 4.37Å; E136-F192 HydrophobicContact CG-CE1 4.38Å; E136-F192 CarbonylContact O-C 3.59Å; E136-F192 WeakPolarHBondContact O-CA 3.26Å; E136-F192 WeakPolarHBondContact O-CB 3.43Å; C180-F192 HydrophobicContact CB-CB 4.12Å; C180-F192 PolarHBondContact N-O 3.16Å; C180-F192 PolarHBondContact O-N 3.46Å; R190-F192 HydrophobicContact CB-CE2 3.92Å; R190-F192 HydrophobicContact CB-CZ 4.04Å
193I97.9Very high83.8Confident1 Ų185.3 Ų85.31%0.00543%0.432CS..EExtended strand (participates in β ladder)trans-128.4131.6178.5-170.7169.8000110.2F135 E136 D137 W143 F145 F165 V177 S178 F179F135-I193 HydrophobicContact CB-CB 3.78Å; F135-I193 HydrophobicContact CB-CG2 3.62Å; F135-I193 HydrophobicContact CD1-CB 4.28Å; F135-I193 HydrophobicContact CG-CB 4.24Å; E136-I193 PolarHBondContact O-N 2.81Å; D137-I193 WeakPolarHBondContact CA-O 3.28Å; W143-I193 HydrophobicContact CG-CG2 4.48Å; F145-I193 HydrophobicContact CE2-CD1 3.79Å; F145-I193 HydrophobicContact CZ-CD1 4.03Å; F165-I193 HydrophobicContact CD1-CD1 4.28Å; F165-I193 HydrophobicContact CE1-CD1 3.68Å; F165-I193 HydrophobicContact CE1-CG1 4.29Å; F165-I193 HydrophobicContact CE2-CD1 4.05Å; F165-I193 HydrophobicContact CE2-CG1 4.37Å; F165-I193 HydrophobicContact CE2-CG2 4.13Å; F165-I193 HydrophobicContact CZ-CD1 3.56Å; F165-I193 HydrophobicContact CZ-CG1 3.79Å; F165-I193 HydrophobicContact CZ-CG2 4.38Å; V177-I193 HydrophobicContact CG1-CD1 3.77Å; V177-I193 HydrophobicContact CG1-CG1 3.74Å; S178-I193 WeakPolarHBondContact O-CA 3.34Å; F179-I193 HydrophobicContact CD1-CG1 4.49Å; F179-I193 HydrophobicContact CE1-CD1 3.87Å; F179-I193 HydrophobicContact CE1-CG1 4.28Å; F179-I193 HydrophobicContact CZ-CD1 4.29Å
194D96.8Very high82.3Confident40 Ų4089.8 Ų89.821%0.21446%0.459CS..EExtended strand (participates in β ladder)trans-130.1164.1176.6-78.8-56000110.2R138 V177 S178R138-D194 WeakPolarHBondContact CB-OD1 3.44Å; V177-D194 CarbonylContact C-O 3.55Å; V177-D194 WeakPolarHBondContact CA-O 3.21Å; S178-D194 PolarHBondContact N-O 3.16Å; S178-D194 PolarHBondContact O-N 3.48Å
195W96.4Very high81Confident28 Ų2896.2 Ų96.211%0.10648%0.481CS..EExtended strand (participates in β ladder)trans-142148.2174.966.2103.9000112.2D137 R138 F165 K169 L171 T176D137-W195 HydrophobicContact CB-CZ3 4.44Å; D137-W195 VanDerWaalsContact CG-CH2 3.46Å; D137-W195 WeakPolarHBondContact OD1-CH2 3.47Å; D137-W195 WeakPolarHBondContact OD1-CZ3 3.17Å; D137-W195 WeakPolarHBondContact OD2-CH2 3.35Å; D137-W195 VanDerWaalsContact OD2-CZ3 3.28Å; D137-W195 WeakPolarHBondContact OD2-CZ3 3.5Å; R138-W195 HydrophobicContact CG-CH2 4.11Å; R138-W195 HydrophobicContact CG-CZ3 4.3Å; F165-W195 HydrophobicContact CE2-CE3 4.14Å; F165-W195 HydrophobicContact CE2-CZ3 4.22Å; F165-W195 HydrophobicContact CZ-CD2 4.45Å; F165-W195 AromaticContact CZ-CE3 3.74Å; F165-W195 HydrophobicContact CZ-CE3 3.74Å; F165-W195 HydrophobicContact CZ-CZ3 4.28Å; K169-W195 HydrophobicContact CB-CD2 4.15Å; K169-W195 HydrophobicContact CB-CG 4.5Å; K169-W195 HydrophobicContact CB-CZ2 4.18Å; K169-W195 HydrophobicContact CD-CH2 3.47Å; K169-W195 VanDerWaalsContact CD-CH2 3.47Å; K169-W195 HydrophobicContact CD-CZ2 3.41Å; K169-W195 VanDerWaalsContact CD-CZ2 3.41Å; K169-W195 HydrophobicContact CD-CZ3 4.03Å; K169-W195 HydrophobicContact CG-CD2 4.05Å; K169-W195 HydrophobicContact CG-CE3 4.1Å; K169-W195 HydrophobicContact CG-CH2 3.93Å; K169-W195 HydrophobicContact CG-CZ2 3.81Å; K169-W195 HydrophobicContact CG-CZ3 4.03Å; L171-W195 HydrophobicContact CD2-CB 3.75Å; L171-W195 HydrophobicContact CD2-CG 3.84Å; T176-W195 CarbonylContact O-C 3.57Å; T176-W195 VanDerWaalsContact O-CA 3.28Å; T176-W195 WeakPolarHBondContact O-CA 3.27Å
196K96.4Very high79.4Confident132 Ų132100.1 Ų100.157%0.57449%0.486SS*.EExtended strand (participates in β ladder)trans-132.3127.4177.5-175.3178.369.7-165.50109.3T176T176-K196 PolarHBondContact N-O 3.49Å; T176-K196 PolarHBondContact O-N 2.57Å
197R95.4Very high77.8Confident119 Ų119100.8 Ų100.845%0.44948%0.481SS..  trans-65.1141.8173.3-68.2-170.6-179-76-9.3110.2K169 R170 D172 D175 A199K169-R197 PolarHBondContact O-NH2 2.74Å; R170-R197 PolarHBondContact O-NH1 2.94Å; R170-R197 PolarHBondContact O-NH2 3.41Å; D172-R197 IonicContact OD2-NH1 3.97Å; D175-R197 VanDerWaalsContact OD1-CA 3.25Å; D175-R197 WeakPolarHBondContact OD1-CA 3.07Å; D175-R197 IonicContact OD2-NH1 3.85Å; R197-A199 PolarHBondContact O-N 3.5Å
198R89.7Confident76.2Confident140 Ų140105.7 Ų105.753%0.52851%0.512SS..  trans-54.1130.2168.9-175.4174.6-77.1-166.5-8.3108.3G174 D175 D200G174-R198 PolarHBondContact O-NE 2.84Å; G174-R198 PolarHBondContact O-NH2 3.04Å; D175-R198 PolarHBondContact OD1-N 2.69Å; R198-D200 VanDerWaalsContact C-N 3.34Å; R198-D200 PolarHBondContact O-N 3.34Å
199A79.2Confident74.2Confident84 Ų84112.5 Ų112.569%0.69454%0.538SS*.  trans-63.2103.1168.300000106.9R197 S201R197-A199 PolarHBondContact O-N 3.5Å; A199-S201 PolarHBondContact O-N 2.93Å; A199-S201 PolarHBondContact O-OG 2.96Å
200D61.3Low72.5Confident108 Ų108112.7 Ų112.758%0.57854%0.538SS*.  trans-61.1102.9-171.7-142.5-3.8000107.5R198 R202R198-D200 VanDerWaalsContact C-N 3.34Å; R198-D200 PolarHBondContact O-N 3.34Å; D200-R202 PolarHBondContact O-N 3.44Å; D200-R202 IonicContact OD1-NE 3.41Å; D200-R202 PolarHBondContact OD1-NE 3.49Å; D200-R202 WeakPolarHBondContact OD2-CD 3.43Å; D200-R202 IonicContact OD2-CZ 3.56Å; D200-R202 IonicContact OD2-NE 3.05Å; D200-R202 PolarHBondContact OD2-NE 3.41Å; D200-R202 IonicContact OD2-NH2 2.97Å
201S53.8Low70.4Confident101 Ų101112.4 Ų112.471%0.70655%0.554SS**  trans-78.539.8179.2-42.70000109.9A199 D203A199-S201 PolarHBondContact O-N 2.93Å; A199-S201 PolarHBondContact O-OG 2.96Å; S201-D203 PolarHBondContact O-N 2.84Å
202R56.7Low68.3Low203 Ų203118.5 Ų118.577%0.76659%0.586SS**  trans-75.859.2168.5-66.7-178.2-171.1-165.7-0.9108.5D200D200-R202 PolarHBondContact O-N 3.44Å; D200-R202 IonicContact OD1-NE 3.41Å; D200-R202 PolarHBondContact OD1-NE 3.49Å; D200-R202 WeakPolarHBondContact OD2-CD 3.43Å; D200-R202 IonicContact OD2-CZ 3.56Å; D200-R202 IonicContact OD2-NE 3.05Å; D200-R202 PolarHBondContact OD2-NE 3.41Å; D200-R202 IonicContact OD2-NH2 2.97Å
203D48.3Very low66Low100 Ų100124.5 Ų124.554%0.53563%0.625SS.*  trans158.8100.6151.1-92.8-35.2000109.1S201 H205 R206S201-D203 PolarHBondContact O-N 2.84Å; D203-H205 PolarHBondContact O-N 3.14Å; D203-R206 HydrophobicContact CB-CB 3.92Å; D203-R206 PolarHBondContact O-N 2.89Å
204P54.7Low63.8Low121 Ų121133 Ų13379%0.78667%0.666SS**THydrogen-bonded Turntrans-63.89.9158.626-31.1000113.3
205H55.9Low61.6Low160 Ų160135.5 Ų135.574%0.74169%0.692SS**THydrogen-bonded Turntrans-118.4-0.9179.6-63.9-55.7000115.3D203 M207D203-H205 PolarHBondContact O-N 3.14Å; H205-M207 VanDerWaalsContact C-N 3.35Å; H205-M207 PolarHBondContact O-N 2.94Å; H205-M207 VanDerWaalsContact O-N 3.15Å
206R46.1Very low59.5Low216 Ų216140.3 Ų140.382%0.81573%0.728SS**  trans-92.272.2176.8-156.7173.6-173.8-177.31.5110.5D203D203-R206 HydrophobicContact CB-CB 3.92Å; D203-R206 PolarHBondContact O-N 2.89Å
207M51.3Low57.6Low153 Ų153140.9 Ų140.975%0.75474%0.742SS**  trans-51.8137.8161.5-67.8-77.3-89.900108.5H205 R209H205-M207 VanDerWaalsContact C-N 3.35Å; H205-M207 PolarHBondContact O-N 2.94Å; H205-M207 VanDerWaalsContact O-N 3.15Å; M207-R209 PolarHBondContact O-N 2.61Å
208P52.3Low55.2Low114 Ų114139.5 Ų139.574%0.7476%0.755SS**  trans-63.3109.3175.627-30.5000106.9L210P208-L210 PolarHBondContact O-N 2.79Å
209R47.1Very low53.4Low241 Ų241138.3 Ų138.391%0.90977%0.769SS**  trans-69.1100173.6-74.6-160.1161.2127.82.1107.4M207M207-R209 PolarHBondContact O-N 2.61Å
210L55.4Low52.1Low148 Ų148139.3 Ų139.378%0.77577%0.768SS**  trans-54.5132.1165.4-69.1169000108.2P208 L212P208-L210 PolarHBondContact O-N 2.79Å; L210-L212 PolarHBondContact O-N 3.32Å; L210-L212 VanDerWaalsContact O-N 3.16Å
211P49.1Very low51.7Low126 Ų126145.6 Ų145.682%0.81879%0.786SS**  trans-70.5112.8177.3-5.320.7000108.5
212L52.8Low51.3Low153 Ų153144.2 Ų144.280%0.80179%0.787SS**  trans-81.5129.1163.5-68.1174.6000108.2L210 M214L210-L212 PolarHBondContact O-N 3.32Å; L210-L212 VanDerWaalsContact O-N 3.16Å; L212-M214 PolarHBondContact O-N 3.49Å
213P50.3Low51.3Low127 Ų127140.3 Ų140.383%0.82579%0.788SS**  trans-77.1107.9177.630.4-30.7000109.3
214M51.7Low51.6Low179 Ų179148.3 Ų148.388%0.88281%0.811SS**  trans-88.6112.2167.4-70.3-69-77.400108.5L212L212-M214 PolarHBondContact O-N 3.49Å
215A49.6Very low51Low92 Ų92145.9 Ų145.976%0.7681%0.807SS**  trans-69.3140.6172.500000110.8
216P52.1Low50.4Low130 Ų130142.1 Ų142.184%0.84481%0.812SS**  trans-84.7119.217632.5-29.1000110
217V57.6Low50Low144 Ų144135.9 Ų135.987%0.87382%0.815SS**  trans-87.8108.5162.264.80000108.2
218A44.6Very low49.3Very low89 Ų89132.4 Ų132.474%0.73682%0.818SS**  trans-71133168.400000109.3
219S51.7Low48.6Very low116 Ų116130.8 Ų130.881%0.81182%0.822SS**  trans-130116.2159.8-165.40000108.9
220P52.4Low48Very low104 Ų104123.5 Ų123.568%0.67582%0.823SS**  trans-106.3116.7-178.534.4-23.1000110.4
221Y51.2Low47.2Very low241 Ų241120.2 Ų120.295%0.94582%0.824SS**  trans-156.4117.3154.8-100.1-78.1000108.9
222G46Very low46.7Very low71 Ų71119.7 Ų119.773%0.73283%0.83SS**  trans-93-131.3-175.100000114.5
223P57.8Low46.2Very low122 Ų122114.9 Ų114.979%0.79282%0.818SS**  -129.5154-106.435.3-19.8000114.2
224W53.3Low45.6Very low268 Ų268112.9 Ų112.9100%1.01582%0.82SS**  trans-168.4134.4153.2-130.7-50.3000113.1
225G42.6Very low45.3Very low69 Ų69113.5 Ų113.571%0.71182%0.819SS**  101.295.3125.900000119.5
226G43.2Very low45.2Very low81 Ų81118 Ų11884%0.83582%0.821SS**  81101112.500000119.5
227G37Very low45.6Very low86 Ų86120 Ų12089%0.88782%0.821SS**  74.8125.3118.100000119.4
228G37.8Very low46Very low79 Ų79117.3 Ų117.381%0.81481%0.807SS**  trans139.391.1148.100000115.8
229G36.9Very low46.6Very low80 Ų80118.7 Ų118.783%0.82581%0.808SS**  66.7107125.200000119.5
230G35.4Very low47Very low89 Ų89117.5 Ų117.592%0.91881%0.805SS**  79.4129.6124.900000117.4
231G37.2Very low47.3Very low79 Ų79118 Ų11881%0.81481%0.808SS**  trans145.497.2160.800000112.8
232A38.5Very low47.7Very low114 Ų114112.4 Ų112.494%0.94280%0.802SS**  trans-48.9140.4169.300000112.4
233G42.3Very low48Very low53 Ų53113.7 Ų113.755%0.54681%0.806SS.*  trans171.361.3175.900000111.8F235G233-F235 WeakPolarHBondContact O-CD2 3.43Å; G233-F235 PolarHBondContact O-N 3.47Å
234G38.7Very low47.5Very low84 Ų84114 Ų11487%0.86681%0.806SS**  trans-65.694.9171.500000110.5F236G234-F236 PolarHBondContact O-N 2.77Å
235F46.4Very low46.8Very low193 Ų193108.9 Ų108.985%0.84680%0.797SS**  trans-90.388.7163.1-66.9-79.5000108G233 M237G233-F235 WeakPolarHBondContact O-CD2 3.43Å; G233-F235 PolarHBondContact O-N 3.47Å; F235-M237 PolarHBondContact O-N 2.84Å
236F46.5Very low46.7Very low187 Ų187115.9 Ų115.982%0.8280%0.804SS**  trans-73.2101.7166.2-175.7-99.2000108G234 P238G234-F236 PolarHBondContact O-N 2.77Å; F236-P238 WeakPolarHBondContact O-CD 3.36Å
237M61.5Low46.3Very low171 Ų171120.6 Ų120.684%0.84280%0.804SS**  trans-84.6114.9172.1-173.3-178.2159.800108.2F235F235-M237 PolarHBondContact O-N 2.84Å
238P64.2Low46.6Very low87 Ų87124 Ų12457%0.56580%0.796SS**PPolyproline II helixtrans-72.7143.5175.529.7-32.8000110.2F236F236-P238 WeakPolarHBondContact O-CD 3.36Å
239P57.9Low46.9Very low119 Ų119129.3 Ų129.377%0.77380%0.799SS**PPolyproline II helixtrans-68136.8175.128.8-32.4000110.1
240A60.1Low47.2Very low90 Ų90137.1 Ų137.174%0.74480%0.804SS**PPolyproline II helixtrans-58.2140178.100000111.8
241P59.3Low47.4Very low114 Ų114142 Ų14274%0.7480%0.801SS**PPolyproline II helixtrans-71.7142172.830.1-32.1000109.9A243P241-A243 PolarHBondContact O-N 2.86Å
242P59.9Low47.6Very low124 Ų124150.1 Ų150.181%0.80581%0.806SS**PPolyproline II helixtrans-63.3137.7172.226.4-31.8000109.8T244P242-T244 PolarHBondContact O-N 3.08Å
243A51.7Low47.8Very low99 Ų99154.1 Ų154.182%0.81881%0.806SS**  trans-45.9132.5-178.600000112.4P241 L245P241-A243 PolarHBondContact O-N 2.86Å; A243-L245 PolarHBondContact O-N 3.05Å
244T47.9Very low47.6Very low129 Ų129155.9 Ų155.979%0.79182%0.815SS**  trans-53121.6175.447.20000111.4P242 Y246P242-T244 PolarHBondContact O-N 3.08Å; T244-Y246 VanDerWaalsContact C-N 3.29Å; T244-Y246 PolarHBondContact O-N 2.9Å
245L38.9Very low47.6Very low160 Ų160160.5 Ų160.584%0.83882%0.819SS**  trans-66.484.5168.1-135.8177.1000108.7A243A243-L245 PolarHBondContact O-N 3.05Å
246Y38.6Very low47.4Very low216 Ų216158 Ų15885%0.84781%0.814SS**  trans-99.6141.9158.5-131.4-101.6000106.1T244T244-Y246 VanDerWaalsContact C-N 3.29Å; T244-Y246 PolarHBondContact O-N 2.9Å
247E36.6Very low46.8Very low179 Ų179157.8 Ų157.884%0.83681%0.814SS**  trans91.773.4173.5-147.4154.9-150.600116.8
248H43.2Very low45.8Very low158 Ų158161 Ų16173%0.73182%0.816SS**  trans-149.625.1151.5-130.3-81.3000115.1
249H43.3Very low44.4Very low190 Ų190164.2 Ų164.288%0.8883%0.829SS**SBendtrans-98.282.3169.2-79.5-4000109.7
250R42.5Very low43.9Very low245 Ų245165.8 Ų165.893%0.92583%0.829SS**SBendtrans-172.73.8158.4-97.8-99165.8108.1-1.6116.2
251F40.2Very low42.7Very low192 Ų192169 Ų16984%0.84283%0.834SS**SBendtrans-124.122.9-174.2-119.9-83.9000116.6
252R42.1Very low41.8Very low248 Ų248167.4 Ų167.494%0.93683%0.83SS**  trans-13954.4179.2-109.1-161.2168.9152.91.3114.5
253Q42.1Very low40.6Very low198 Ų198166.4 Ų166.493%0.92583%0.832SS**SBendtrans-148.173166.8-80.3-176.8-39.900109.3
254A37.6Very low39.9Very low90 Ų90166.3 Ų166.374%0.74483%0.832SS**  trans-174.555.116700000112.1
255L39.4Very low39.6Very low181 Ų181164.6 Ų164.695%0.94883%0.83SS**  trans-142.357.2163.5-74.4177.3000109.3
256D41.4Very low39.9Very low140 Ų140162.6 Ų162.675%0.74983%0.827SS**  trans-98.6124.5162.4-85.1-53.1000109
257F35.5Very low40.2Very low184 Ų184156.8 Ų156.881%0.80782%0.824SS**  trans44.3101149.6-67.5-90.6000118.2
258R40.4Very low40.5Very low237 Ų237159.9 Ų159.989%0.89483%0.828SS**  trans-165.1103.7135.1-106161.9-165.7-162.84.8112.5I260R258-I260 PolarHBondContact O-N 2.84Å
259N33.4Very low40.6Very low156 Ų156161 Ų16183%0.83483%0.833SS**  trans0.8102.7135-173.312.2000115.4
260I47.6Very low40.7Very low151 Ų151159 Ų15977%0.77483%0.828SS**  trans-141.1100.8157.9-56.8179.8000108.8R258 A262R258-I260 PolarHBondContact O-N 2.84Å; I260-A262 HydrophobicContact CG2-CB 4.22Å
261N36.5Very low40.8Very low158 Ų158154 Ų15485%0.84582%0.819SS**  trans-66.2115.9154.9-167.811.6000108
262A40.4Very low41.2Very low81 Ų81153.9 Ų153.967%0.66982%0.819SS**  trans-165.9113.4161.700000111I260I260-A262 HydrophobicContact CG2-CB 4.22Å
263A33.3Very low41.3Very low102 Ų102151.8 Ų151.884%0.84382%0.817SS**  trans-53.8129.4162.200000111.5
264A36.9Very low41.3Very low98 Ų98146 Ų14681%0.8181%0.81SS**  trans175.8107.6146.100000109.7
265A42.9Very low41.7Very low92 Ų92147.8 Ų147.876%0.7682%0.817SS**  trans-60.6160.314600000107.8
266P44.4Very low42Very low119 Ų119144.3 Ų144.377%0.77381%0.814SS**  -159-178.451.641.7-18.4000117.9
267A43.9Very low42.6Very low93 Ų93141.6 Ų141.677%0.76982%0.819SS**  trans81120.1138.600000120.1
268R44.8Very low43.6Very low245 Ų245141.8 Ų141.893%0.92583%0.825SS**  trans-54.4130.1171.4-63.5160.373.1170.73.4111.4
269Q43.6Very low44.8Very low181 Ų181134.9 Ų134.985%0.84681%0.811SS**  trans-89.3108.8174.3-161.8160.23.300109.6
270L47Very low45.9Very low148 Ų148132.8 Ų132.878%0.77581%0.806SS**  trans-86.7119.2162.2-96.1155.1000107.6F272L270-F272 HydrophobicContact CD2-CE2 4.49Å
271L43.7Very low45.7Very low140 Ų140137.3 Ų137.373%0.73381%0.813SS**  trans-79.4116.1172.5-75.9162000109.4
272F48.9Very low46.3Very low190 Ų190134.1 Ų134.183%0.83381%0.809SS**  trans-114.7122.9159.6-82.7-86.5000108.6L270L270-F272 HydrophobicContact CD2-CE2 4.49Å
273F43.1Very low46.9Very low204 Ų204135.7 Ų135.790%0.89582%0.815SS**  trans-78.1132.3171.1-83.2-98.4000109.6
274G42.5Very low48Very low77 Ų77140 Ų14079%0.79482%0.82SS**  trans-170.7124.7174.200000111.9
275S45.4Very low49.2Very low126 Ų126141 Ų14188%0.88182%0.818SS**  trans-63.1146.4-164.9-69.90000118.4
276A47Very low49.4Very low108 Ų108145.9 Ų145.989%0.89383%0.825SS**  trans16.1123.1144.100000121.1
277G53.4Low49.8Very low83 Ų83149.4 Ų149.486%0.85683%0.832SS**  trans167.696.5158.800000112.4
278M57.7Low50.2Low189 Ų189153.6 Ų153.693%0.93184%0.835SS**  trans-77.9162.6179.9-124-125.9137.800112.9
279P65.3Low50.8Low92 Ų92150.5 Ų150.560%0.59783%0.831SS**  trans-105.8-165.8-155.143.4-34.1000113.7
280P55Low52Low112 Ų112147 Ų14773%0.72782%0.824SS**  -155162.491.637.8-17.2000118.6
281R44.8Very low53.5Low245 Ų245145.5 Ų145.593%0.92582%0.823SS**  trans44.5115.8145.2-70.9173.4100.51705.2119.9
282A49.5Very low55.2Low91 Ų91144.3 Ų144.375%0.75282%0.824SS**  trans-160125.2132.900000112.8
283S51.4Low56.4Low115 Ų115140.8 Ų140.880%0.80482%0.82SS**  trans56.5101.7147.841.50000121.1
284M57.2Low57.9Low193 Ų193136.6 Ų136.695%0.95181%0.813SS**PPolyproline II helixtrans-75.5137.7156.7-75.2-175.5152.300111.4
285P62.4Low59.1Low118 Ų118140.8 Ų140.877%0.76681%0.812SS**PPolyproline II helixtrans-92.7136.3149.831.3-24.8000110.4Q287P285-Q287 PolarHBondContact O-N 3Å
286Q47.3Very low60.3Low194 Ų194140.5 Ų140.591%0.90781%0.807SS**PPolyproline II helixtrans-55.5124.7169-77.6-175.318.900110.2
287Q51.7Low61.2Low194 Ų194139.8 Ų139.891%0.90779%0.793SS**  trans-103.7112.6166.5-154.417440.500108.3P285P285-Q287 PolarHBondContact O-N 3Å
288Q53.1Low60.9Low180 Ų180144.3 Ų144.384%0.84180%0.797SS**PPolyproline II helixtrans-58.3133177-84.2165-34.200111.4
289Q56.4Low60.3Low181 Ų181143.3 Ų143.385%0.84679%0.79SS**PPolyproline II helixtrans-68131.9170.7-161.9175.5-8.600109.4
290P69.7Low59.3Low108 Ų108144.1 Ų144.170%0.70180%0.797SS**PPolyproline II helixtrans-67.8142.8178.926.9-32.7000110.8
291P77.8Confident59Low115 Ų115146.2 Ų146.275%0.74780%0.801SS**PPolyproline II helixtrans-67.3152.8175.428.4-33.8000111.3
292P78.8Confident59Low115 Ų115142.8 Ų142.875%0.74780%0.797SS**PPolyproline II helixtrans-61.9149173.227.4-34.3000111
293P75Confident58.7Low117 Ų117146.1 Ų146.176%0.7680%0.802SS**PPolyproline II helixtrans-63.6141.4-179.526.3-33.5000111.3
294P74.7Confident58.9Low115 Ų115147 Ų14775%0.74780%0.802SS**PPolyproline II helixtrans-69.3139.9175.728.2-32.7000111.1
295H68Low58.1Low165 Ų165146.2 Ų146.276%0.76480%0.796SS**PPolyproline II helixtrans-57.4139.3167.433-95.3000110.4
296P70.9Confident58.3Low120 Ų120146.2 Ų146.278%0.77980%0.796SS**PPolyproline II helixtrans-66.9137.5173.428.1-32.2000109.7
297P64.5Low58.2Low93 Ų93142.5 Ų142.560%0.60479%0.791SS**PPolyproline II helixtrans-71.3147.7176.329.5-32.4000110.7H299P297-H299 PolarHBondContact O-N 2.87Å
298L46.8Very low58.2Low178 Ų178138.9 Ų138.993%0.93279%0.785SS**  trans-55103.5165.5-67.5170000109.2S300L298-S300 PolarHBondContact O-N 2.94Å
299H46.7Very low58.2Low168 Ų168135 Ų13578%0.77878%0.784SS**  trans-88.4103.3167.9-84.5-145.9000109P297P297-H299 PolarHBondContact O-N 2.87Å
300S42.6Very low58.5Low109 Ų109132.2 Ų132.276%0.76278%0.781SS**  trans9.1114.6145.2-152.20000115.9L298 M302L298-S300 PolarHBondContact O-N 2.94Å; S300-M302 PolarHBondContact O-N 3.24Å
301I49.5Very low57.5Low157 Ų157133 Ų13381%0.80579%0.786SS**  trans-54.1105.5162-64.3164.4000107.8
302M44.7Very low56.2Low172 Ų172134 Ų13485%0.84779%0.791SS**  trans-78117.6158.8-84.2-14382.100108.3S300 V304S300-M302 PolarHBondContact O-N 3.24Å; M302-V304 PolarHBondContact O-N 3.43Å; M302-V304 VanDerWaalsContact O-N 3.16Å
303L43.4Very low54.6Low161 Ų161132.7 Ų132.784%0.84379%0.789SS**  trans-54.9109.6163.7-74.6153.3000109.5
304V55Low53Low133 Ų133132.1 Ų132.181%0.80679%0.788SS**  trans-98.5107.7154.5171.10000106.7M302 P306M302-V304 PolarHBondContact O-N 3.43Å; M302-V304 VanDerWaalsContact O-N 3.16Å; V304-P306 WeakPolarHBondContact O-CD 3.25Å
305Q41.6Very low51.9Low178 Ų178132.9 Ų132.983%0.83279%0.79SS**PPolyproline II helixtrans-61.4122.3173.2179.8-176.949.500110.5
306P65.5Low50.9Low118 Ų118130.9 Ų130.977%0.76679%0.792SS**PPolyproline II helixtrans-85.8125.5160.416.4-2.3000109.6V304V304-P306 WeakPolarHBondContact O-CD 3.25Å
307S45.9Very low50.3Low115 Ų115133.5 Ų133.580%0.80480%0.796SS**PPolyproline II helixtrans-64.7139.6172.7-173.90000111.3
308P51Low49.6Very low119 Ų119136.1 Ų136.177%0.77380%0.804SS**PPolyproline II helixtrans-98.5140.5-174.536.7-30.3000112.7
309A53.8Low49.5Very low99 Ų99135.4 Ų135.482%0.81880%0.8SS**  trans-157.1151.3161.200000110.6
310P62.9Low49.4Very low122 Ų122134.6 Ų134.679%0.79280%0.802SS**  -105.2178.9-123.441.5-39000114.7
311P47.9Very low49.5Very low123 Ų123133.9 Ų133.980%0.79980%0.797SS**  trans-94.1153.8-149.437.1-34.2000114.7
312T49.9Very low49.5Very low138 Ų138132.8 Ų132.885%0.84780%0.797SS**  trans-128.8114.3162.849.90000110.7
313A45.4Very low49.8Very low87 Ų87130 Ų13072%0.71979%0.792SS**  trans55.695.1141.200000119.3
314S43.3Very low49.9Very low104 Ų104129.6 Ų129.673%0.72779%0.79SS**  44.9105.2119.761.90000119.6
315V50.1Low49.4Very low131 Ų131128.8 Ų128.879%0.79479%0.785SS**  -157.3119.7122-163.40000108.1M317V315-M317 HydrophobicContact CG1-CG 4.26Å
316P47.9Very low49.4Very low123 Ų123127.1 Ų127.180%0.79978%0.782SS**PPolyproline II helixtrans-90.1117.7163.432-24.5000108.5
317M57.6Low47.9Very low176 Ų176124.7 Ų124.787%0.86777%0.767SS**PPolyproline II helixtrans-97.2127.9162.4-68-149.180.800109.4V315V315-M317 HydrophobicContact CG1-CG 4.26Å
318L50.4Low48.1Very low147 Ų147125.3 Ų125.377%0.7777%0.768SS**PPolyproline II helixtrans-73.6135.7-165.4-172150.6000110.5D320L318-D320 PolarHBondContact O-N 3.32Å
319L43.6Very low47.9Very low163 Ų163126.4 Ų126.485%0.85377%0.773SS**  trans-66.8112.5168.1-102.671.3000108.2
320D44.5Very low47.5Very low152 Ų152125.5 Ų125.581%0.81377%0.766SS**PPolyproline II helixtrans-68.4137.8177.5-144.2-30.6000110.4L318L318-D320 PolarHBondContact O-N 3.32Å
321S46.7Very low46.9Very low94 Ų94124.2 Ų124.266%0.65777%0.765SS**PPolyproline II helixtrans-84.5142.4-161.1-66.90000111.6
322V49Very low47.4Very low134 Ų134123.1 Ų123.181%0.81276%0.761SS**PPolyproline II helixtrans-59.2128.8163.7-177.70000108.3L324V322-L324 PolarHBondContact O-N 3.46Å
323P51.2Low48.3Very low114 Ų114126 Ų12674%0.7476%0.761SS**  trans-67.6110.7174.225.5-30.7000109.4V325P323-V325 VanDerWaalsContact C-N 3.28Å; P323-V325 PolarHBondContact O-N 2.94Å
324L44.6Very low49.7Very low152 Ų152129.3 Ų129.380%0.79676%0.755SS**  trans-60.491159.2178.967.9000107.9V322 N326V322-L324 PolarHBondContact O-N 3.46Å; L324-N326 PolarHBondContact O-N 2.84Å
325V43.7Very low51.5Low116 Ų116128.5 Ų128.570%0.70375%0.746SS**  trans-7897.5165.566.40000107.8P323 S327P323-V325 VanDerWaalsContact C-N 3.28Å; P323-V325 PolarHBondContact O-N 2.94Å; V325-S327 PolarHBondContact O-N 3.26Å
326N42.1Very low53.4Low143 Ų143130.2 Ų130.277%0.76574%0.738SS**  trans-69.285161.9-109.221000107.8L324L324-N326 PolarHBondContact O-N 2.84Å
327S34.7Very low54.8Low66 Ų66129 Ų12946%0.46272%0.724SS.*  trans-107.4103.5162.7280000108.1V325 T329V325-S327 PolarHBondContact O-N 3.26Å; S327-T329 PolarHBondContact O-N 3.44Å
328P50.6Low55.9Low128 Ų128130.2 Ų130.283%0.83173%0.725SS**SBendtrans-74.977.1174.431-31.9000108.4
329T45.9Very low57.2Low143 Ų143126 Ų12688%0.87772%0.717SS**  trans174.359.3156.9-64.20000106.3S327S327-T329 PolarHBondContact O-N 3.44Å
330A44.4Very low59.1Low79 Ų79123 Ų12365%0.65371%0.705SS**  trans-96.497.917400000108.5S332A330-S332 PolarHBondContact O-N 3.18Å; A330-S332 VanDerWaalsContact O-N 3.08Å
331A50.4Low60.8Low95 Ų95117.9 Ų117.979%0.78568%0.678SS**  trans-55.5115.5168.400000108.7K333A331-K333 PolarHBondContact O-N 2.84Å
332S60.3Low62.4Low101 Ų101118.5 Ų118.571%0.70667%0.673SS**  trans-59.7110.2178.7-57.30000109.5A330 R334A330-S332 PolarHBondContact O-N 3.18Å; A330-S332 VanDerWaalsContact O-N 3.08Å; S332-R334 PolarHBondContact O-N 3.05Å; S332-R334 VanDerWaalsContact O-N 3.1Å
333K66.9Low63.9Low198 Ų198117.5 Ų117.586%0.86166%0.663SS**  trans-65.7110171.7-73.6177.1179.1170.60107.9A331 V335A331-K333 PolarHBondContact O-N 2.84Å; K333-V335 PolarHBondContact O-N 3.41Å
334R75.3Confident64.3Low157 Ų157119 Ų11959%0.59267%0.665SS**  trans-69116.7175.1-62.2174.972.1-171.27.4108.3S332 N341 D343S332-R334 PolarHBondContact O-N 3.05Å; S332-R334 VanDerWaalsContact O-N 3.1Å; R334-N341 VanDerWaalsContact NH2-CG 3.32Å; R334-N341 PolarHBondContact NH2-ND2 2.95Å; R334-D343 IonicContact NE-OD1 3.99Å; R334-D343 IonicContact NH2-OD1 3.7Å
335V81Confident65.4Low87 Ų87116.9 Ų116.953%0.52766%0.661SS.*EExtended strand (participates in β ladder)trans-81.6124.1174.1176.70000107.8K333 L342K333-V335 PolarHBondContact O-N 3.41Å; V335-L342 HydrophobicContact CB-CD1 4.47Å; V335-L342 HydrophobicContact CG1-CD1 4.02Å; V335-L342 PolarHBondContact O-N 2.95Å
336R89.4Confident65.8Low166 Ų166118.9 Ų118.963%0.62666%0.662SS**EExtended strand (participates in β ladder)trans-109.2120.2169.6-84.8178.4153.8161.7-6.7109.1V340 N341R336-V340 VanDerWaalsContact CA-O 3.3Å; R336-V340 WeakPolarHBondContact CA-O 3.4Å; R336-N341 WeakPolarHBondContact CG-OD1 3.38Å; R336-N341 PolarHBondContact NE-ND2 3.41Å; R336-N341 PolarHBondContact NE-OD1 3.15Å; R336-N341 VanDerWaalsContact NE-OD1 3.11Å; R336-N341 PolarHBondContact NH2-ND2 2.92Å
337L77.8Confident65.8Low98 Ų98117.8 Ų117.851%0.51366%0.663SS.*EExtended strand (participates in β ladder)trans-113.1125.1169.3-158.574.4000107.2G339 V340 L342L337-G339 PolarHBondContact O-N 2.88Å; L337-V340 PolarHBondContact N-O 2.86Å; L337-V340 WeakPolarHBondContact O-CG2 3.46Å; L337-V340 PolarHBondContact O-N 3.34Å; L337-V340 VanDerWaalsContact O-N 3.08Å; L337-L342 HydrophobicContact CB-CD1 4.32Å
338F80.2Confident66.2Low201 Ų201117.2 Ų117.288%0.88267%0.668SS**THydrogen-bonded Turntrans53.327.8-178.7-49.6-70.5000115.9V340F338-V340 VanDerWaalsContact C-N 3.35Å; F338-V340 PolarHBondContact O-N 2.89Å
339G79.3Confident65.7Low59 Ų59117.8 Ų117.861%0.60867%0.669SS**THydrogen-bonded Turntrans85.1-4.7-179.800000115.6L337L337-G339 PolarHBondContact O-N 2.88Å
340V82.3Confident65.4Low99 Ų99116.5 Ų116.560%0.667%0.666SS**EExtended strand (participates in β ladder)trans-88.5130.4169.9-83.50000110.6R336 L337 F338R336-V340 VanDerWaalsContact CA-O 3.3Å; R336-V340 WeakPolarHBondContact CA-O 3.4Å; L337-V340 PolarHBondContact N-O 2.86Å; L337-V340 WeakPolarHBondContact O-CG2 3.46Å; L337-V340 PolarHBondContact O-N 3.34Å; L337-V340 VanDerWaalsContact O-N 3.08Å; F338-V340 VanDerWaalsContact C-N 3.35Å; F338-V340 PolarHBondContact O-N 2.89Å
341N80.8Confident65.3Low46 Ų46117 Ų11725%0.24667%0.67CS.*EExtended strand (participates in β ladder)trans-76.9128.4172-73.6-70.4000108.9R334 R336R334-N341 VanDerWaalsContact NH2-CG 3.32Å; R334-N341 PolarHBondContact NH2-ND2 2.95Å; R336-N341 WeakPolarHBondContact CG-OD1 3.38Å; R336-N341 PolarHBondContact NE-ND2 3.41Å; R336-N341 PolarHBondContact NE-OD1 3.15Å; R336-N341 VanDerWaalsContact NE-OD1 3.11Å; R336-N341 PolarHBondContact NH2-ND2 2.92Å
342L80.9Confident64.9Low106 Ų106121.1 Ų121.156%0.55567%0.673SS**EExtended strand (participates in β ladder)trans-92.496.2167.4-73.8147.8000107.3V335 L337V335-L342 HydrophobicContact CB-CD1 4.47Å; V335-L342 HydrophobicContact CG1-CD1 4.02Å; V335-L342 PolarHBondContact O-N 2.95Å; L337-L342 HydrophobicContact CB-CD1 4.32Å
343D80.2Confident63.9Low113 Ų113121.4 Ų121.460%0.60468%0.675SS**  trans-86109.9173.7-53.3-64.4000107.7R334R334-D343 IonicContact NE-OD1 3.99Å; R334-D343 IonicContact NH2-OD1 3.7Å
344N60.2Low62.7Low146 Ų146117 Ų11778%0.78167%0.67SS**PPolyproline II helixtrans-82.6122.4177.9-170.540.9000109.4Q346N344-Q346 PolarHBondContact O-N 3.16Å
345P67.8Low61.2Low108 Ų108117.8 Ų117.870%0.70168%0.68SS**PPolyproline II helixtrans-66.2118.4176.326.1-31.9000110.2
346Q50.6Low59.4Low157 Ų157121.4 Ų121.473%0.73470%0.696SS**PPolyproline II helixtrans-65.2129.9170.4-101.5-80.5-46.600110N344 G348N344-Q346 PolarHBondContact O-N 3.16Å; Q346-G348 PolarHBondContact O-N 3.23Å
347P43.7Very low57.3Low120 Ų120117.1 Ų117.178%0.77970%0.696SS**  trans-83103.6168.331.1-28.1000109.2
348G41.7Very low55.5Low54 Ų54120 Ų12056%0.55771%0.712SS**  trans-138.591.4-178.200000112.6Q346Q346-G348 PolarHBondContact O-N 3.23Å
349T39.6Very low53.7Low141 Ų141114.3 Ų114.387%0.86570%0.702SS**  trans34.898145.463.70000119
350S41.3Very low51.8Low115 Ų115119.4 Ų119.480%0.80472%0.715SS**  trans178.3113.413643.80000110.5
351A41.2Very low50Low91 Ų91119.7 Ų119.775%0.75272%0.721SS**  trans39.7142.4142.800000121.9
352E41.8Very low48.4Very low181 Ų181125.1 Ų125.185%0.84675%0.749SS**  trans97.6102.4153.4-48.8-165.1104.500118.5
353S40.1Very low46.6Very low106 Ų106131.3 Ų131.374%0.74177%0.765SS**  trans64.2122.5136.168.10000121.9
354S41.3Very low45.3Very low107 Ų107132.2 Ų132.275%0.74878%0.775SS**  trans78107.8134.7-58.50000119.4
355Q44.2Very low45.2Very low173 Ų173130.3 Ų130.381%0.80877%0.771SS**  24.4112.4128.2-66.7171.6-300116.1
356D42.9Very low43.8Very low162 Ų162128.7 Ų128.787%0.86677%0.774SS**  177158.6106.7-91.2-41.3000111.2
357A45.4Very low43.6Very low76 Ų76132.6 Ų132.663%0.62878%0.782SS**  trans-73168.1-164.300000115
358N41Very low43.7Very low159 Ų159136 Ų13685%0.8579%0.787SS**  trans81.2142.7146.7-69.5-43.4000119.7
359A41.5Very low43.9Very low82 Ų82144.6 Ų144.668%0.67880%0.803SS**  trans77.681.5156.100000117.5S361A359-S361 VanDerWaalsContact C-N 3.25Å; A359-S361 PolarHBondContact O-N 2.96Å
360L39.9Very low44.5Very low166 Ų166144 Ų14487%0.86980%0.802SS**  trans-75.285.6148.1-72.8175.2000109.4
361S43.4Very low45.2Very low105 Ų105141.3 Ų141.373%0.73479%0.792SS**  trans-83.6109152.7-70.30000107.7A359A359-S361 VanDerWaalsContact C-N 3.25Å; A359-S361 PolarHBondContact O-N 2.96Å
362L47.4Very low45.7Very low160 Ų160143 Ų14384%0.83880%0.796SS**  trans-110113.1167.5-79.4171.2000110
363R42.8Very low46Very low236 Ų236142.9 Ų142.989%0.89180%0.8SS**PPolyproline II helixtrans-49.4136.1178.9-70165.297.71807.2111.6
364T53Low46.4Very low132 Ų132148.4 Ų148.481%0.8180%0.804SS**PPolyproline II helixtrans-64131.1159.544.40000109.7
365P58.4Low46.4Very low105 Ų105153.5 Ų153.568%0.68281%0.813SS**PPolyproline II helixtrans-76.2123.7164.327.8-26.8000108.7W367P365-W367 PolarHBondContact O-N 3.44Å
366G39.9Very low46.3Very low75 Ų75153.5 Ų153.577%0.77381%0.811SS**PPolyproline II helixtrans-64.3118.3176.200000111.3Q368G366-Q368 PolarHBondContact O-N 3.31Å
367W45.9Very low46.3Very low239 Ų239153 Ų15391%0.90580%0.803SS**  trans-85.3104.6166.8-7517.9000108.3P365 R369P365-W367 PolarHBondContact O-N 3.44Å; W367-R369 PolarHBondContact O-N 3.46Å
368Q45.5Very low46.2Very low190 Ų190154.9 Ų154.989%0.88881%0.812SS**PPolyproline II helixtrans-58128.1165.1-78.8-176.9-34.700109.2G366G366-Q368 PolarHBondContact O-N 3.31Å
369R45.6Very low46.9Very low235 Ų235153.3 Ų153.389%0.88781%0.81SS**PPolyproline II helixtrans-66.9132.7171.5-65.3179178.8-146.5-0.5109.5W367 G371W367-R369 PolarHBondContact O-N 3.46Å; R369-G371 PolarHBondContact O-N 3.21Å
370P52.2Low47.2Very low129 Ų129158.8 Ų158.884%0.83882%0.822SS**PPolyproline II helixtrans-71122.5158.3-9.826.2000108.5
371G56.5Low47.1Very low58 Ų58163 Ų16360%0.59883%0.826SS**PPolyproline II helixtrans-69.1163.5172.500000112.5R369 L373R369-G371 PolarHBondContact O-N 3.21Å; G371-L373 PolarHBondContact O-N 3.44Å
372P51.7Low47.3Very low128 Ų128161.5 Ų161.583%0.83183%0.827SS**PPolyproline II helixtrans-76.4123-174.430.7-31.2000110.5
373L48.5Very low47.2Very low177 Ų177158.1 Ų158.193%0.92782%0.822SS**PPolyproline II helixtrans-74.8134.8171.6-77.7177.3000111.3G371G371-L373 PolarHBondContact O-N 3.44Å
374R48.5Very low47.4Very low223 Ų223155.2 Ų155.284%0.84282%0.819SS**PPolyproline II helixtrans-69.6138.1-173.1-64.5-86.4-177.2119.1-5.4111.8
375F40.2Very low47.4Very low213 Ų213154.7 Ų154.793%0.93482%0.821SS**PPolyproline II helixtrans-74.4119.6157.4-122.4-97.1000108.3
376F43.1Very low46.9Very low174 Ų174155.6 Ų155.676%0.76383%0.829SS**  trans-176.1141.5170-115.7-91.5000104
377E42.4Very low47.7Very low151 Ų151156.6 Ų156.671%0.70683%0.83SS**  cis-169142.6-13173.6152.5135.300103
378S42.8Very low48Very low115 Ų115149.6 Ų149.680%0.80482%0.823SS**PPolyproline II helixtrans-68.2137.7-179.2-54.30000111.8
379P54.9Low48.3Very low126 Ų126146.4 Ų146.482%0.81882%0.822SS**PPolyproline II helixtrans-96.8132.5159.9-3.323.3000111.2
380Q49Very low48.9Very low197 Ų197140.8 Ų140.892%0.92182%0.819SS**PPolyproline II helixtrans-57.8140.6171-70.8-174.6-55.100112.3
381R38.1Very low49Very low256 Ų256141 Ų14197%0.96682%0.82SS**PPolyproline II helixtrans-77.3132.4162.3-88.1-173.9174-169.5-1.6110
382G46.8Very low48.9Very low73 Ų73143.9 Ų143.975%0.75383%0.831SS**  trans-124.8142.1159.500000109.6
383A46Very low48.6Very low88 Ų88143.4 Ų143.473%0.72783%0.831SS**  trans-29.2153.8173.900000115.2
384E47.4Very low48.6Very low175 Ų175140.4 Ų140.482%0.81883%0.825SS**  cis174.816944.242.6-158.972.900109
385S51.5Low48.5Very low122 Ų122135.6 Ų135.685%0.85383%0.825SS**  trans100.7121.615976.80000119.4
386S47.8Very low49.4Very low124 Ų124131.5 Ų131.587%0.86782%0.823SS**  trans-88.5148.9-167.2-38.10000113.6
387A56.6Low50Low96 Ų96129 Ų12979%0.79383%0.827SS**  trans168.9105.9142.600000107.5
388A52.7Low50.9Low92 Ų92132 Ų13276%0.7684%0.838SS**  103.1132.583.500000111.8
389S52.3Low51.9Low123 Ų123137.5 Ų137.586%0.8684%0.841SS**  trans101.6119155.4-36.50000118.3
390S57.4Low51.5Low117 Ų117138.9 Ų138.982%0.81884%0.837SS**  trans-69.9163.1-175-44.40000115.4
391P54.9Low52.4Low132 Ų132134 Ų13486%0.85783%0.829SS**  trans-94.8145.7173.436-30000112.6
392S53.5Low53.4Low120 Ų120129.4 Ų129.484%0.83982%0.819SS**  trans-139.4147.3164.659.20000111.7
393S46.7Very low54Low118 Ų118131.3 Ų131.383%0.82582%0.821SS**  trans-68.7145.1-167.547.70000116.9
394S48.8Very low55Low114 Ų114132.8 Ų132.880%0.79783%0.826SS**  trans-167113.8145.144.60000109.5
395S46.7Very low56Low122 Ų122132.5 Ų132.585%0.85383%0.829SS**  72.296.5100.2-161.80000113.7
396S57.3Low56.8Low127 Ų127134.3 Ų134.389%0.88883%0.829SS**  trans-104.5123.3171.7-99.50000110.7
397S56.3Low58Low121 Ų121136.1 Ų136.185%0.84683%0.828SS**  trans-61.8141.3176.9-44.40000113.1
398K60.7Low58.4Low215 Ų215139 Ų13994%0.93583%0.83SS**  trans-136120.5152.5-155.9167.4-177.3175.70109.6
399R64.2Low58.8Low229 Ų229146.3 Ų146.386%0.86486%0.855SS**  trans-73.7129.5-168.2173.4174.6175.8-123.32.1111.7
400E48Very low59.1Low156 Ų156147.5 Ų147.573%0.72986%0.855SS**  trans-57.9135.7157.7-85.7158.79800110.6H402E400-H402 IonicContact OE1-CE1 3.66Å
401A66.4Low59.2Low93 Ų93149.1 Ų149.177%0.76986%0.857SS**  trans-135.8114.816000000107.3
402H59.6Low59.5Low160 Ų160150.1 Ų150.174%0.74186%0.857SS**  trans-77.1139.9178.9-50.9-104.9000109.5E400E400-H402 IonicContact OE1-CE1 3.66Å
403S60.3Low59.8Low113 Ų113151.8 Ų151.879%0.7986%0.858SS**  trans-158.397.5144.662.80000108.7
404S65.6Low60.7Low120 Ų120153.9 Ų153.984%0.83986%0.86SS**PPolyproline II helixtrans-66.9124.8159.653.80000108.3
405L68.7Low61.4Low169 Ų169156.6 Ų156.689%0.88586%0.864SS**PPolyproline II helixtrans-92.1116.8160.3-80.5167.6000107.3
406D68.7Low62.5Low160 Ų160159.1 Ų159.186%0.85687%0.865SS**PPolyproline II helixtrans-66.1133.8173.2-158.137000108.9
407L73.3Confident62.9Low162 Ų162161.5 Ų161.585%0.84886%0.863SS**PPolyproline II helixtrans-96.8127.2173.9-94163.8000108.5L409L407-L409 PolarHBondContact O-N 2.96Å
408D64Low63.4Low156 Ų156164.9 Ų164.983%0.83487%0.865SS**  trans-40.9122.3159.4-88.2-77.3000112.1
409L62Low63.7Low246 Ų246160.4 Ų160.4100%1.28886%0.858SS**  -1710123.2-121.997.6000112L407L407-L409 PolarHBondContact O-N 2.96Å

Retrieved 409 of 409 residues in 272.2 ms (Link to these results)