A0A077ZFB0_TRITR Loading...

Interleukin enhancer binding factor 2

AlphaFold DB , UniProt , Accession A0A077ZFB0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 448 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.8Very low26.9Very low233 Ų233158.1 Ų158.1100%1.14885%0.849SS**  097.20-77.9172.4174.300107.5Y3M1-Y3 PolarHBondContact O-N 3.44Å
2S24.5Very low26.9Very low117 Ų117158.2 Ų158.282%0.81885%0.848SS**  trans-77.6108.6179.738.50000109.4E4S2-E4 PolarHBondContact O-N 2.99Å
3Y26.3Very low26.9Very low224 Ų224152.5 Ų152.588%0.87884%0.837SS**  trans-89.199167-94.4-90.1000108.5M1 A5M1-Y3 PolarHBondContact O-N 3.44Å; Y3-A5 PolarHBondContact O-N 3.4Å
4E24.8Very low27.2Very low183 Ų183151.2 Ų151.286%0.85584%0.839SS**  trans-65.9113.5161.1-75.6176.8145.200108.5S2 S6S2-E4 PolarHBondContact O-N 2.99Å; E4-S6 PolarHBondContact O-N 3.34Å
5A28.4Very low27.2Very low97 Ų97157.9 Ų157.980%0.80285%0.847SS**  trans-78.296.1167.700000108.6Y3 C7Y3-A5 PolarHBondContact O-N 3.4Å; A5-C7 PolarHBondContact O-N 3.34Å
6S25.2Very low27.2Very low99 Ų99151.4 Ų151.469%0.69283%0.828SS**  trans-71.6102.6166.655.60000109.4E4 Y8E4-S6 PolarHBondContact O-N 3.34Å; S6-Y8 VanDerWaalsContact C-N 3.33Å; S6-Y8 PolarHBondContact O-N 3.37Å
7C26.6Very low27.1Very low136 Ų136150.2 Ų150.292%0.91983%0.833SS**  trans-69.990.9164.7-84.70000109.4A5A5-C7 PolarHBondContact O-N 3.34Å
8Y25.4Very low27.1Very low204 Ų204149.1 Ų149.180%0.882%0.824SS**  trans-76.8152.6155-99-92000110.1S6S6-Y8 VanDerWaalsContact C-N 3.33Å; S6-Y8 PolarHBondContact O-N 3.37Å
9Q28.5Very low27.2Very low174 Ų174146.3 Ų146.381%0.81381%0.807SS**  trans103.288.9158.9-70.1161-26.100119.4
10S27.5Very low27.5Very low99 Ų99151.1 Ų151.169%0.69281%0.812SS**  98.796.4116.868.10000118L12S10-L12 PolarHBondContact O-N 3.24Å; S10-L12 VanDerWaalsContact O-N 3.13Å
11D25.6Very low27.9Very low173 Ų173145 Ų14593%0.92578%0.781SS**  trans-52.899.5153-74.7-49.3000111.5
12L27.8Very low28.4Very low159 Ų159138 Ų13883%0.83275%0.753SS**  trans-142.667.7163.6-95.8150.4000108.6S10S10-L12 PolarHBondContact O-N 3.24Å; S10-L12 VanDerWaalsContact O-N 3.13Å
13A26.8Very low29.6Very low85 Ų85137.3 Ų137.370%0.70274%0.735SS**  trans-67.9130.1161.100000108.3R15A13-R15 PolarHBondContact O-N 3.33Å
14P31.2Very low30.6Very low134 Ų134127.2 Ų127.287%0.8770%0.697SS**  trans-68106.1178.220.9-20.8000109.2
15R26.3Very low31.6Very low252 Ų252125 Ų12595%0.95169%0.691SS**  trans-76.8119.6161.3-73.2-177173.3-173.9-0.8107.4A13A13-R15 PolarHBondContact O-N 3.33Å
16G26.9Very low32.5Very low53 Ų53123.4 Ų123.455%0.54667%0.668SS.*SBendtrans133.791164.500000115.8I18G16-I18 PolarHBondContact O-N 3.17Å
17S25.8Very low33.4Very low132 Ų132123.9 Ų123.992%0.92366%0.659SS**  trans46.131.2131.251.40000121.9
18I28.1Very low34.1Very low130 Ų130122 Ų12267%0.66765%0.645SS**  trans-128.8134.3162.9-56.7175.9000105.9G16G16-I18 PolarHBondContact O-N 3.17Å
19L29.2Very low34.6Very low95 Ų95115.8 Ų115.850%0.49762%0.624SS.*  trans95.962-176.8-45.9170.3000117P21 N296L19-P21 VanDerWaalsContact O-CD 3.23Å; L19-P21 WeakPolarHBondContact O-CD 3.25Å; L19-N296 HydrophobicContact CD1-CB 3.66Å; L19-N296 HydrophobicContact CD2-CB 3.87Å; L19-N296 WeakPolarHBondContact CD2-ND2 3.13Å; L19-N296 HydrophobicContact CG-CB 4.35Å
20R32.4Very low35.4Very low243 Ų243113.3 Ų113.392%0.91762%0.624SS**  trans-95.987.3134.3-80.6-166-163.3-176.39107.8
21P34.8Very low36.1Very low24 Ų24116 Ų11616%0.15663%0.63CS.*  trans-59.8148.2159.827.7-30.9000107.8L19 F23L19-P21 VanDerWaalsContact O-CD 3.23Å; L19-P21 WeakPolarHBondContact O-CD 3.25Å; P21-F23 PolarHBondContact O-N 3.48Å
22P43.3Very low37Very low85 Ų85111.4 Ų111.455%0.55262%0.615SS**  trans-63.3106.717528.9-30.4000105.7
23F50.7Low37.4Very low102 Ų102111.7 Ų111.745%0.44762%0.618SS.*  trans-52.7132.5153.8-81.8-89.1000105.1P21 L25P21-F23 PolarHBondContact O-N 3.48Å; F23-L25 PolarHBondContact O-N 3.38Å
24P47Very low38Very low13 Ų13113.9 Ų113.98%0.08462%0.618CS.*  trans-43.4122.5170.4-14.38.2000108.7I26 N336 L368 I371P24-I26 PolarHBondContact O-N 3Å; P24-N336 HydrophobicContact CB-CB 4.41Å; P24-N336 VanDerWaalsContact CB-ND2 3.28Å; P24-N336 WeakPolarHBondContact CB-ND2 3.4Å; P24-N336 WeakPolarHBondContact CD-ND2 3.29Å; P24-N336 HydrophobicContact CG-CB 4.08Å; P24-N336 WeakPolarHBondContact CG-ND2 3.3Å; P24-N336 VanDerWaalsContact N-ND2 3.15Å; P24-N336 PolarHBondContact O-ND2 2.97Å; P24-L368 HydrophobicContact CB-CD2 4.37Å; P24-I371 HydrophobicContact CB-CG1 4.45Å; P24-I371 HydrophobicContact CG-CD1 3.7Å; P24-I371 HydrophobicContact CG-CG1 3.88Å
25L46Very low38.6Very low137 Ų137119.7 Ų119.772%0.71762%0.622SS**  trans-66107.1-180-72.5172.9000106.4F23 Q27F23-L25 PolarHBondContact O-N 3.38Å; L25-Q27 HydrophobicContact CB-CG 4.37Å; L25-Q27 PolarHBondContact O-N 3.07Å
26I47.4Very low39.4Very low63 Ų63111.1 Ų111.132%0.32360%0.601SS.*  trans-63.4102.8169.4-64.9171.2000105.9P24 N336 A339 I340 F366 L368P24-I26 PolarHBondContact O-N 3Å; I26-N336 HydrophobicContact CD1-CB 4.47Å; I26-N336 HydrophobicContact CG1-CB 4.38Å; I26-A339 HydrophobicContact CD1-CB 4.07Å; I26-I340 HydrophobicContact CD1-CG2 4.03Å; I26-I340 HydrophobicContact CG1-CG2 4.26Å; I26-I340 HydrophobicContact CG2-CG2 3.81Å; I26-F366 HydrophobicContact CG2-CB 4.01Å; I26-F366 HydrophobicContact CG2-CD1 3.26Å; I26-F366 HydrophobicContact CG2-CE1 3.87Å; I26-F366 HydrophobicContact CG2-CG 3.76Å; I26-L368 HydrophobicContact CG1-CD2 3.9Å
27Q44.8Very low40Very low108 Ų108112.8 Ų112.851%0.50562%0.618SS.*EExtended strand (participates in β ladder)trans-94125.8176.8-66.1-166.3-5.700108.9L25 M29 F366 S367L25-Q27 HydrophobicContact CB-CG 4.37Å; L25-Q27 PolarHBondContact O-N 3.07Å; Q27-M29 PolarHBondContact O-N 3.18Å; Q27-F366 WeakPolarHBondContact O-CA 3.16Å; Q27-S367 PolarHBondContact N-O 2.89Å; Q27-S367 PolarHBondContact O-N 3.14Å
28P41.4Very low40.6Very low97 Ų97114.9 Ų114.963%0.6361%0.611SS**EExtended strand (participates in β ladder)trans-61.5133.7166.326-29.9000108.4F366P28-F366 HydrophobicContact CB-CD1 4.46Å; P28-F366 HydrophobicContact CB-CE1 4.38Å
29M35.1Very low41Very low73 Ų73120.2 Ų120.236%0.3662%0.622SS.*PPolyproline II helixtrans-60.7143.6173-79.2-169.8-125.800109.7Q27 L31 S362 G365 F366Q27-M29 PolarHBondContact O-N 3.18Å; M29-L31 PolarHBondContact O-N 3.35Å; M29-S362 VanDerWaalsContact CE-CB 3.4Å; M29-G365 WeakPolarHBondContact CB-O 3.49Å; M29-G365 PolarHBondContact N-O 2.81Å; M29-F366 WeakPolarHBondContact CE-O 3.46Å
30P45.2Very low41.4Very low123 Ų123121.1 Ų121.180%0.79963%0.628SS**PPolyproline II helixtrans-53.5133.9170.7-19.129.4000109.4A32P30-A32 PolarHBondContact O-N 2.71Å
31L42.8Very low41.6Very low156 Ų156115.7 Ų115.782%0.81762%0.621SS**  trans-59.8105.7172.8-74.4161.8000108M29 N33M29-L31 PolarHBondContact O-N 3.35Å; L31-N33 PolarHBondContact O-N 3.08Å
32A43.6Very low41.7Very low76 Ų76120.1 Ų120.163%0.62864%0.638SS**  trans-55.3127.8161.900000106.8P30 N34P30-A32 PolarHBondContact O-N 2.71Å; A32-N34 PolarHBondContact O-N 3.5Å
33N36.7Very low41.4Very low165 Ų165120.9 Ų120.988%0.88265%0.652SS**  trans-59.171.8-175-104.7-18.6000112.1L31 R35L31-N33 PolarHBondContact O-N 3.08Å; N33-R35 PolarHBondContact O-N 3.37Å
34N40.1Very low40.8Very low131 Ų131126.8 Ų126.870%0.70167%0.671SS**  trans-8798172-81.4-17000107.5A32 S36A32-N34 PolarHBondContact O-N 3.5Å; N34-S36 PolarHBondContact O-N 2.93Å
35R43.1Very low40.4Very low256 Ų256129.8 Ų129.897%0.96669%0.689SS**  trans-59.35.4172.4-71.9-177.7177.4-178.7-0.5114.4N33N33-R35 PolarHBondContact O-N 3.37Å
36S43.2Very low40.3Very low71 Ų71130.6 Ų130.650%0.49769%0.694SS.*SBendtrans-91.6106.4170.963.30000109.3N34 K38N34-S36 PolarHBondContact O-N 2.93Å; S36-K38 PolarHBondContact O-N 3.22Å
37G39.3Very low40.4Very low88 Ų88135.4 Ų135.491%0.90771%0.713SS**  trans-63.237.1178.400000116.3R39G37-R39 PolarHBondContact O-N 2.99Å
38K39.5Very low40.7Very low177 Ų177131.3 Ų131.377%0.7769%0.693SS**  trans-78.599.5166.7-68.9-174.4-177.71800107.5S36 N40S36-K38 PolarHBondContact O-N 3.22Å; K38-N40 PolarHBondContact O-N 3.02Å
39R35.9Very low41.3Very low241 Ų241130.7 Ų130.791%0.90968%0.684SS**  trans-47.1109.8162.1-96.9179.7173.5158.3-1.7107.5G37 V41G37-R39 PolarHBondContact O-N 2.99Å; R39-V41 PolarHBondContact O-N 3.26Å; R39-V41 VanDerWaalsContact O-N 3.16Å
40N37.4Very low42.2Very low115 Ų115129.5 Ų129.562%0.61568%0.677SS**  trans-55.6122.1177.5-94-22.6000108.5K38 F42K38-N40 PolarHBondContact O-N 3.02Å; N40-F42 HydrophobicContact CB-CB 4.45Å; N40-F42 HydrophobicContact CB-CD2 3.94Å; N40-F42 PolarHBondContact O-N 3.32Å
41V36.2Very low42.3Very low129 Ų129133.3 Ų133.378%0.78268%0.676SS**G310 helixtrans-58.2-1.4178.4176.40000112.6R39 A43 R44R39-V41 PolarHBondContact O-N 3.26Å; R39-V41 VanDerWaalsContact O-N 3.16Å; V41-A43 VanDerWaalsContact C-N 3.29Å; V41-A43 PolarHBondContact O-N 3.42Å; V41-R44 PolarHBondContact O-N 3.35Å
42F37.8Very low42.5Very low116 Ų116128.4 Ų128.451%0.50965%0.65SS.*G310 helixtrans-72.8-5.5-176.5-73.4-84.8000115.9N40 R44 T45N40-F42 HydrophobicContact CB-CB 4.45Å; N40-F42 HydrophobicContact CB-CD2 3.94Å; N40-F42 PolarHBondContact O-N 3.32Å; F42-R44 PolarHBondContact O-N 2.93Å; F42-R44 VanDerWaalsContact O-N 3.14Å; F42-T45 HydrophobicContact CD1-CG2 4.23Å; F42-T45 PolarHBondContact O-N 2.97Å; F42-T45 PolarHBondContact O-OG1 3.17Å
43A37Very low42.9Very low101 Ų101125.5 Ų125.584%0.83562%0.624SS**G310 helixtrans-67.9-5.7170.700000113.7V41V41-A43 VanDerWaalsContact C-N 3.29Å; V41-A43 PolarHBondContact O-N 3.42Å
44R36.9Very low43.7Very low227 Ų227120.9 Ų120.986%0.85760%0.602SS**G310 helixtrans-108.916176.6-74.3-172176.7-177.8-0.5114.3V41 F42 N46V41-R44 PolarHBondContact O-N 3.35Å; F42-R44 PolarHBondContact O-N 2.93Å; F42-R44 VanDerWaalsContact O-N 3.14Å; R44-N46 PolarHBondContact O-N 3.31Å
45T39.6Very low44.4Very low75 Ų75124 Ų12446%0.4660%0.604SS.*SBendtrans-71.8112.4163.354.50000107.1F42 K47F42-T45 HydrophobicContact CD1-CG2 4.23Å; F42-T45 PolarHBondContact O-N 2.97Å; F42-T45 PolarHBondContact O-OG1 3.17Å; T45-K47 PolarHBondContact O-N 2.93Å
46N43.5Very low45.1Very low154 Ų154116 Ų11682%0.82459%0.588SS**  trans-57.791173.5-81.7-18.5000108.2R44 Y48R44-N46 PolarHBondContact O-N 3.31Å; N46-Y48 PolarHBondContact O-N 2.92Å; N46-Y48 VanDerWaalsContact O-N 3.09Å
47K50.7Low45.9Very low164 Ų164114.8 Ų114.871%0.71358%0.575SS**  trans-51.9120.7171.6-78.5-174.8176.8-178.40107.1T45 N49T45-K47 PolarHBondContact O-N 2.93Å; K47-N49 PolarHBondContact O-N 3.43Å; K47-N49 VanDerWaalsContact O-N 3.1Å
48Y49.5Very low46.9Very low22 Ų22110.6 Ų110.69%0.08653%0.532CS..  trans-64.3115.5177.7-171.9-96.9000109N46 F50 R61 F66 D67 M287 M291N46-Y48 PolarHBondContact O-N 2.92Å; N46-Y48 VanDerWaalsContact O-N 3.09Å; Y48-F50 AromaticContact CD1-CD1 3.92Å; Y48-F50 HydrophobicContact CD1-CD1 3.92Å; Y48-F50 HydrophobicContact CD1-CD2 4.04Å; Y48-F50 AromaticContact CD1-CE1 3.71Å; Y48-F50 HydrophobicContact CD1-CE1 3.71Å; Y48-F50 AromaticContact CD1-CE2 3.88Å; Y48-F50 HydrophobicContact CD1-CE2 3.88Å; Y48-F50 HydrophobicContact CD1-CG 4.03Å; Y48-F50 AromaticContact CD1-CZ 3.68Å; Y48-F50 HydrophobicContact CD1-CZ 3.68Å; Y48-F50 AromaticContact CE1-CD1 3.96Å; Y48-F50 HydrophobicContact CE1-CD1 3.96Å; Y48-F50 AromaticContact CE1-CE1 3.89Å; Y48-F50 HydrophobicContact CE1-CE1 3.89Å; Y48-F50 HydrophobicContact CE1-CG 4.37Å; Y48-F50 HydrophobicContact CE1-CZ 4.32Å; Y48-F50 VanDerWaalsContact O-CD2 3.32Å; Y48-F50 WeakPolarHBondContact O-CD2 3.49Å; Y48-F50 WeakPolarHBondContact O-CE2 3.03Å; Y48-F50 PolarHBondContact O-N 3.4Å; Y48-R61 PolarHBondContact OH-NH2 2.75Å; Y48-F66 HydrophobicContact CD2-CB 4.05Å; Y48-F66 AromaticContact CD2-CD1 3.44Å; Y48-F66 HydrophobicContact CD2-CD1 3.44Å; Y48-F66 VanDerWaalsContact CD2-CD1 3.44Å; Y48-F66 HydrophobicContact CD2-CE1 4.02Å; Y48-F66 AromaticContact CD2-CG 3.81Å; Y48-F66 HydrophobicContact CD2-CG 3.81Å; Y48-F66 HydrophobicContact CE2-CB 4.22Å; Y48-F66 AromaticContact CE2-CD1 3.29Å; Y48-F66 HydrophobicContact CE2-CD1 3.29Å; Y48-F66 AromaticContact CE2-CE1 3.92Å; Y48-F66 HydrophobicContact CE2-CE1 3.92Å; Y48-F66 HydrophobicContact CE2-CG 4.02Å; Y48-F66 HydrophobicContact CG-CD1 4.44Å; Y48-D67 PolarHBondContact OH-OD1 3.1Å; Y48-M287 HydrophobicContact CD1-CE 4.16Å; Y48-M287 HydrophobicContact CE1-CE 3.44Å; Y48-M287 VanDerWaalsContact CE1-CE 3.44Å; Y48-M287 WeakPolarHBondContact OH-CE 3.37Å; Y48-M287 WeakPolarHBondContact OH-CG 3.42Å; Y48-M291 HydrophobicContact CE1-CE 4.45Å
49N54.3Low47.9Very low85 Ų85109.3 Ų109.346%0.45553%0.527SS..  trans-85.399.6-179.2-163.26.2000109.7K47 R51 D52 R61K47-N49 PolarHBondContact O-N 3.43Å; K47-N49 VanDerWaalsContact O-N 3.1Å; N49-R51 PolarHBondContact O-N 3.48Å; N49-D52 PolarHBondContact ND2-OD2 3.31Å; N49-D52 VanDerWaalsContact ND2-OD2 3.12Å; N49-D52 PolarHBondContact O-N 2.96Å; N49-R61 PolarHBondContact O-NH1 2.75Å
50F53.7Low49.1Very low47 Ų47104.2 Ų104.221%0.20652%0.518CS..G310 helixtrans-64.5-20.7-179.4-66.3-93.8000113.1Y48 D52 V53 M287 M291 L335 A339Y48-F50 AromaticContact CD1-CD1 3.92Å; Y48-F50 HydrophobicContact CD1-CD1 3.92Å; Y48-F50 HydrophobicContact CD1-CD2 4.04Å; Y48-F50 AromaticContact CD1-CE1 3.71Å; Y48-F50 HydrophobicContact CD1-CE1 3.71Å; Y48-F50 AromaticContact CD1-CE2 3.88Å; Y48-F50 HydrophobicContact CD1-CE2 3.88Å; Y48-F50 HydrophobicContact CD1-CG 4.03Å; Y48-F50 AromaticContact CD1-CZ 3.68Å; Y48-F50 HydrophobicContact CD1-CZ 3.68Å; Y48-F50 AromaticContact CE1-CD1 3.96Å; Y48-F50 HydrophobicContact CE1-CD1 3.96Å; Y48-F50 AromaticContact CE1-CE1 3.89Å; Y48-F50 HydrophobicContact CE1-CE1 3.89Å; Y48-F50 HydrophobicContact CE1-CG 4.37Å; Y48-F50 HydrophobicContact CE1-CZ 4.32Å; Y48-F50 VanDerWaalsContact O-CD2 3.32Å; Y48-F50 WeakPolarHBondContact O-CD2 3.49Å; Y48-F50 WeakPolarHBondContact O-CE2 3.03Å; Y48-F50 PolarHBondContact O-N 3.4Å; F50-D52 PolarHBondContact O-N 3.47Å; F50-D52 VanDerWaalsContact O-N 3.1Å; F50-V53 PolarHBondContact O-N 2.82Å; F50-M287 HydrophobicContact CE1-CE 3.87Å; F50-M291 HydrophobicContact CB-CE 3.83Å; F50-M291 HydrophobicContact CD1-CE 3.33Å; F50-M291 HydrophobicContact CE1-CE 4.28Å; F50-M291 HydrophobicContact CG-CE 4.03Å; F50-L335 HydrophobicContact CD1-CD2 4.4Å; F50-L335 HydrophobicContact CE1-CB 3.95Å; F50-L335 HydrophobicContact CE1-CD2 3.79Å; F50-L335 HydrophobicContact CE1-CG 4.4Å; F50-L335 HydrophobicContact CZ-CB 4.37Å; F50-L335 WeakPolarHBondContact CZ-O 3.22Å; F50-A339 HydrophobicContact CE2-CB 3.57Å; F50-A339 HydrophobicContact CZ-CB 3.75Å
51R48.7Very low50.5Low204 Ų20499.7 Ų99.777%0.7749%0.492SS*.G310 helixtrans-61.7-18.3-179.6-73.3-175.1167.7174.2-2.6113.4N49N49-R51 PolarHBondContact O-N 3.48Å
52D46Very low51.7Low52 Ų5297.1 Ų97.128%0.27847%0.472SS..G310 helixtrans-97.412.3-172.7-56.4-39.6000114.6N49 F50 N57N49-D52 PolarHBondContact ND2-OD2 3.31Å; N49-D52 VanDerWaalsContact ND2-OD2 3.12Å; N49-D52 PolarHBondContact O-N 2.96Å; F50-D52 PolarHBondContact O-N 3.47Å; F50-D52 VanDerWaalsContact O-N 3.1Å; D52-N57 HydrophobicContact CB-CB 4.26Å; D52-N57 VanDerWaalsContact O-CB 3.23Å; D52-N57 WeakPolarHBondContact O-CB 3.45Å; D52-N57 PolarHBondContact OD1-ND2 3.3Å
53V52.5Low53Low15 Ų1598.4 Ų98.49%0.09148%0.483CS..  trans-102.127.6177.4-163.10000112F50 L58 R61 L284 R288 M291F50-V53 PolarHBondContact O-N 2.82Å; V53-L58 HydrophobicContact CG1-CD2 4.49Å; V53-R61 VanDerWaalsContact CG2-NH2 3.28Å; V53-L284 HydrophobicContact CG1-CD1 4.16Å; V53-R288 HydrophobicContact CG1-CG 3.75Å; V53-M291 HydrophobicContact CB-CE 3.59Å; V53-M291 HydrophobicContact CB-SD 3.42Å; V53-M291 WeakPolarHBondContact CB-SD 3.43Å; V53-M291 HydrophobicContact CG1-CE 4.21Å; V53-M291 HydrophobicContact CG1-SD 3.42Å; V53-M291 WeakPolarHBondContact CG1-SD 3.42Å; V53-M291 HydrophobicContact CG2-CE 3.38Å; V53-M291 HydrophobicContact CG2-SD 3.77Å
54T53.6Low54.9Low68 Ų6894.7 Ų94.742%0.41745%0.452SS..SBendtrans-84.1154.8167.854.70000109.9S56 N57 L58T54-S56 PolarHBondContact O-N 3.19Å; T54-S56 PolarHBondContact OG1-OG 3.05Å; T54-N57 PolarHBondContact O-N 3.18Å; T54-L58 PolarHBondContact O-N 3.31Å
55R53.8Low57Low197 Ų19788.6 Ų88.674%0.74344%0.442SS*.THydrogen-bonded Turntrans-52.7-30.9-179.7-170.8177.7179.2175.30.1112.9N57 P276R55-N57 VanDerWaalsContact C-N 3.34Å; R55-P276 HydrophobicContact CG-CG 4.48Å
56S57.4Low59.3Low89 Ų8986.8 Ų86.862%0.62243%0.428SS*.THydrogen-bonded Turntrans-65.9-32.1177.455.70000113.5T54T54-S56 PolarHBondContact O-N 3.19Å; T54-S56 PolarHBondContact OG1-OG 3.05Å
57N60.8Low61.3Low44 Ų4479.5 Ų79.524%0.23539%0.389CS..THydrogen-bonded Turntrans-105-0.4-170.6-61.214.4000112.1D52 T54 R55 K59 D60 R61D52-N57 HydrophobicContact CB-CB 4.26Å; D52-N57 VanDerWaalsContact O-CB 3.23Å; D52-N57 WeakPolarHBondContact O-CB 3.45Å; D52-N57 PolarHBondContact OD1-ND2 3.3Å; T54-N57 PolarHBondContact O-N 3.18Å; R55-N57 VanDerWaalsContact C-N 3.34Å; N57-K59 PolarHBondContact O-N 3.27Å; N57-D60 PolarHBondContact O-N 3.36Å; N57-R61 WeakPolarHBondContact O-CG 3.48Å; N57-R61 PolarHBondContact O-N 3.38Å
58L59.9Low63.1Low1 Ų175.7 Ų75.71%0.00538%0.376CS..THydrogen-bonded Turntrans-62-27.8-178.8-71.6174.5000113.4V53 T54 P276 L284V53-L58 HydrophobicContact CG1-CD2 4.49Å; T54-L58 PolarHBondContact O-N 3.31Å; L58-P276 HydrophobicContact CD1-CG 4.33Å; L58-L284 HydrophobicContact CD2-CD1 4.37Å; L58-L284 HydrophobicContact CD2-CD2 4.07Å
59K61.7Low65.1Low150 Ų15077.6 Ų77.665%0.65239%0.387SS*.THydrogen-bonded Turntrans-66.9-42.5177.5-70.8-174.8177.7-177.50111.5N57 R61 Q62 L277N57-K59 PolarHBondContact O-N 3.27Å; K59-R61 PolarHBondContact O-N 3.18Å; K59-Q62 PolarHBondContact O-N 3.49Å; K59-L277 HydrophobicContact CG-CD2 4.29Å
60D61.2Low67Low134 Ų13473.6 Ų73.672%0.71737%0.365SS*.THydrogen-bonded Turntrans-74-14.6-177.3-52.8-34.5000112.8N57N57-D60 PolarHBondContact O-N 3.36Å
61R65.5Low69Low19 Ų1972.5 Ų72.57%0.07236%0.362CS..THydrogen-bonded Turntrans-88.4-3.5-178.2-72.5-77.9-63.3-114.9-21.7114Y48 N49 V53 N57 K59 D63 S64 D67Y48-R61 PolarHBondContact OH-NH2 2.75Å; N49-R61 PolarHBondContact O-NH1 2.75Å; V53-R61 VanDerWaalsContact CG2-NH2 3.28Å; N57-R61 WeakPolarHBondContact O-CG 3.48Å; N57-R61 PolarHBondContact O-N 3.38Å; K59-R61 PolarHBondContact O-N 3.18Å; R61-D63 PolarHBondContact O-N 3.36Å; R61-S64 VanDerWaalsContact O-CB 3.24Å; R61-S64 WeakPolarHBondContact O-CB 3.47Å; R61-S64 PolarHBondContact O-N 3.42Å; R61-S64 VanDerWaalsContact O-N 3.11Å; R61-D67 IonicContact CZ-OD2 3.39Å; R61-D67 IonicContact NE-OD2 2.8Å; R61-D67 PolarHBondContact NE-OD2 2.74Å; R61-D67 IonicContact NH2-OD1 2.98Å; R61-D67 PolarHBondContact NH2-OD1 3.35Å; R61-D67 IonicContact NH2-OD2 2.75Å; R61-D67 PolarHBondContact NH2-OD2 3.49Å
62Q61.5Low71.2Confident76 Ų7669.3 Ų69.336%0.35536%0.357SS..THydrogen-bonded Turntrans-57.3-34.9-178.9-75.5-177.539.300112.6K59 L277 I281K59-Q62 PolarHBondContact O-N 3.49Å; Q62-L277 HydrophobicContact CG-CD1 3.76Å; Q62-I281 HydrophobicContact CB-CD1 4.25Å; Q62-I281 HydrophobicContact CG-CD1 4.36Å; Q62-I281 WeakPolarHBondContact O-CD1 3.38Å
63D64.7Low73.6Confident142 Ų14267.7 Ų67.776%0.75935%0.348SS*.THydrogen-bonded Turntrans-101.317.5-177.8-58.8-39.6000113.1R61 C65R61-D63 PolarHBondContact O-N 3.36Å; D63-C65 PolarHBondContact O-N 3Å
64S76.6Confident75.8Confident24 Ų2467 Ų6717%0.16834%0.343CS..  trans-61.8108176.4172.20000110.1R61 F66 D67 L68R61-S64 VanDerWaalsContact O-CB 3.24Å; R61-S64 WeakPolarHBondContact O-CB 3.47Å; R61-S64 PolarHBondContact O-N 3.42Å; R61-S64 VanDerWaalsContact O-N 3.11Å; S64-F66 PolarHBondContact O-N 3.14Å; S64-F66 VanDerWaalsContact O-N 3.09Å; S64-D67 WeakPolarHBondContact CB-OD2 3.48Å; S64-D67 PolarHBondContact O-N 3.31Å; S64-D67 PolarHBondContact OG-N 3.02Å; S64-D67 PolarHBondContact OG-OD2 3.07Å; S64-L68 PolarHBondContact O-N 3.14Å
65C82.5Confident77.8Confident98 Ų9866.8 Ų66.866%0.66234%0.339SS*.Hα-helixtrans-52.8-34.4179.5-177.20000112.5D63 M69D63-C65 PolarHBondContact O-N 3Å; C65-M69 WeakPolarHBondContact O-CB 3.21Å; C65-M69 PolarHBondContact O-N 3.38Å
66F86.3Confident79.9Confident38 Ų3862.8 Ų62.817%0.16733%0.328CS..Hα-helixtrans-70.6-42.9176.4-176.8-94.9000112.2Y48 S64 L68 M69 L70 M287 M338 H343Y48-F66 HydrophobicContact CD2-CB 4.05Å; Y48-F66 AromaticContact CD2-CD1 3.44Å; Y48-F66 HydrophobicContact CD2-CD1 3.44Å; Y48-F66 VanDerWaalsContact CD2-CD1 3.44Å; Y48-F66 HydrophobicContact CD2-CE1 4.02Å; Y48-F66 AromaticContact CD2-CG 3.81Å; Y48-F66 HydrophobicContact CD2-CG 3.81Å; Y48-F66 HydrophobicContact CE2-CB 4.22Å; Y48-F66 AromaticContact CE2-CD1 3.29Å; Y48-F66 HydrophobicContact CE2-CD1 3.29Å; Y48-F66 AromaticContact CE2-CE1 3.92Å; Y48-F66 HydrophobicContact CE2-CE1 3.92Å; Y48-F66 HydrophobicContact CE2-CG 4.02Å; Y48-F66 HydrophobicContact CG-CD1 4.44Å; S64-F66 PolarHBondContact O-N 3.14Å; S64-F66 VanDerWaalsContact O-N 3.09Å; F66-L68 VanDerWaalsContact C-N 3.28Å; F66-L68 PolarHBondContact O-N 2.83Å; F66-M69 HydrophobicContact CD2-CE 3.4Å; F66-M69 HydrophobicContact CE2-CE 3.54Å; F66-M69 HydrophobicContact CG-CE 4.36Å; F66-M69 PolarHBondContact O-N 3.3Å; F66-L70 HydrophobicContact CE1-CD2 3.99Å; F66-L70 WeakPolarHBondContact O-CB 3.33Å; F66-L70 PolarHBondContact O-N 3.48Å; F66-M287 HydrophobicContact CE1-SD 4.23Å; F66-M338 HydrophobicContact CZ-CB 4.33Å; F66-H343 HydrophobicContact CE2-CB 4.37Å; F66-H343 AromaticContact CE2-ND1 3.91Å; F66-H343 HydrophobicContact CZ-CB 4.09Å
67D86.2Confident81.8Confident1 Ų160.1 Ų60.11%0.00530%0.304CS..Hα-helixtrans-66.9-32.3-179.7-62.9-34.5000110.9Y48 R61 S64 T71 I281 L284Y48-D67 PolarHBondContact OH-OD1 3.1Å; R61-D67 IonicContact CZ-OD2 3.39Å; R61-D67 IonicContact NE-OD2 2.8Å; R61-D67 PolarHBondContact NE-OD2 2.74Å; R61-D67 IonicContact NH2-OD1 2.98Å; R61-D67 PolarHBondContact NH2-OD1 3.35Å; R61-D67 IonicContact NH2-OD2 2.75Å; R61-D67 PolarHBondContact NH2-OD2 3.49Å; S64-D67 WeakPolarHBondContact CB-OD2 3.48Å; S64-D67 PolarHBondContact O-N 3.31Å; S64-D67 PolarHBondContact OG-N 3.02Å; S64-D67 PolarHBondContact OG-OD2 3.07Å; D67-T71 WeakPolarHBondContact O-CB 3.29Å; D67-T71 PolarHBondContact O-N 2.92Å; D67-T71 PolarHBondContact O-OG1 3.4Å; D67-I281 HydrophobicContact CB-CG2 4.19Å; D67-L284 HydrophobicContact CB-CB 4.35Å
68L89.1Confident83.5Confident84 Ų8458.6 Ų58.644%0.4430%0.295SS..Hα-helixtrans-70.1-46.5172.1-66.8175.6000112.7S64 F66 L70 T71 Q72S64-L68 PolarHBondContact O-N 3.14Å; F66-L68 VanDerWaalsContact C-N 3.28Å; F66-L68 PolarHBondContact O-N 2.83Å; L68-L70 VanDerWaalsContact C-N 3.33Å; L68-L70 PolarHBondContact O-N 2.97Å; L68-T71 VanDerWaalsContact O-CB 3.3Å; L68-T71 WeakPolarHBondContact O-CB 3.1Å; L68-T71 PolarHBondContact O-N 3.44Å; L68-T71 VanDerWaalsContact O-N 3.15Å; L68-Q72 PolarHBondContact O-N 3.38Å; L68-Q72 VanDerWaalsContact O-N 3.09Å
69M91.9Very high85.2Confident62 Ų6266 Ų6631%0.30533%0.328SS..Hα-helixtrans-59.5-45.4174.6179.7-170.870.500111C65 F66 T71 Q72 D73 H343C65-M69 WeakPolarHBondContact O-CB 3.21Å; C65-M69 PolarHBondContact O-N 3.38Å; F66-M69 HydrophobicContact CD2-CE 3.4Å; F66-M69 HydrophobicContact CE2-CE 3.54Å; F66-M69 HydrophobicContact CG-CE 4.36Å; F66-M69 PolarHBondContact O-N 3.3Å; M69-T71 VanDerWaalsContact C-N 3.25Å; M69-T71 PolarHBondContact O-N 3.26Å; M69-Q72 WeakPolarHBondContact O-CB 3.43Å; M69-Q72 PolarHBondContact O-N 2.95Å; M69-Q72 VanDerWaalsContact O-N 3.08Å; M69-D73 PolarHBondContact O-N 3.32Å; M69-H343 WeakPolarHBondContact CE-CE1 3.3Å; M69-H343 VanDerWaalsContact CE-NE2 3.26Å; M69-H343 WeakPolarHBondContact CE-NE2 3.35Å
70L93.7Very high86.8Confident0 Ų062.9 Ų62.90%032%0.316CS..Hα-helixtrans-62-35.5176.6-175.863000111.7F66 L68 D73 L74 G283 F286 M287 H343 L347F66-L70 HydrophobicContact CE1-CD2 3.99Å; F66-L70 WeakPolarHBondContact O-CB 3.33Å; F66-L70 PolarHBondContact O-N 3.48Å; L68-L70 VanDerWaalsContact C-N 3.33Å; L68-L70 PolarHBondContact O-N 2.97Å; L70-D73 PolarHBondContact O-N 3.45Å; L70-L74 HydrophobicContact CG-CD1 4.08Å; L70-L74 VanDerWaalsContact O-CB 3.28Å; L70-L74 WeakPolarHBondContact O-CB 3.49Å; L70-L74 WeakPolarHBondContact O-CD1 3.46Å; L70-L74 WeakPolarHBondContact O-CG 3.24Å; L70-L74 PolarHBondContact O-N 3.01Å; L70-G283 WeakPolarHBondContact CD2-O 3.49Å; L70-F286 HydrophobicContact CD1-CD1 4.48Å; L70-F286 HydrophobicContact CD2-CD1 4.12Å; L70-M287 HydrophobicContact CD2-CG 3.44Å; L70-M287 VanDerWaalsContact CD2-CG 3.44Å; L70-M287 HydrophobicContact CD2-SD 3.75Å; L70-H343 HydrophobicContact CD1-CB 4.36Å; L70-L347 HydrophobicContact CD1-CD1 3.89Å
71T94.9Very high88.5Confident24 Ų2456.8 Ų56.815%0.14728%0.283CS..Hα-helixtrans-61-44.6172.3-62.10000111.4D67 L68 M69 L74 L75 V282 G283D67-T71 WeakPolarHBondContact O-CB 3.29Å; D67-T71 PolarHBondContact O-N 2.92Å; D67-T71 PolarHBondContact O-OG1 3.4Å; L68-T71 VanDerWaalsContact O-CB 3.3Å; L68-T71 WeakPolarHBondContact O-CB 3.1Å; L68-T71 PolarHBondContact O-N 3.44Å; L68-T71 VanDerWaalsContact O-N 3.15Å; M69-T71 VanDerWaalsContact C-N 3.25Å; M69-T71 PolarHBondContact O-N 3.26Å; T71-L74 PolarHBondContact O-N 3.47Å; T71-L75 HydrophobicContact CG2-CD1 4.27Å; T71-L75 VanDerWaalsContact O-CG 3.28Å; T71-L75 WeakPolarHBondContact O-CG 3.42Å; T71-L75 PolarHBondContact O-N 2.98Å; T71-V282 HydrophobicContact CG2-CB 4.06Å; T71-V282 HydrophobicContact CG2-CG2 4.3Å; T71-G283 WeakPolarHBondContact OG1-CA 3.39Å; T71-G283 PolarHBondContact OG1-N 3.21Å
72Q95.7Very high89.9Confident138 Ų13858.8 Ų58.865%0.64530%0.297SS*.Hα-helixtrans-63.5-44.8177.7-67176.9-18.300112L68 M69 L75 K76L68-Q72 PolarHBondContact O-N 3.38Å; L68-Q72 VanDerWaalsContact O-N 3.09Å; M69-Q72 WeakPolarHBondContact O-CB 3.43Å; M69-Q72 PolarHBondContact O-N 2.95Å; M69-Q72 VanDerWaalsContact O-N 3.08Å; Q72-L75 PolarHBondContact O-N 3.26Å; Q72-K76 PolarHBondContact O-N 2.92Å
73D96.8Very high91.3Very high17 Ų1755.9 Ų55.99%0.09129%0.285CS..Hα-helixtrans-67.4-37.3178.6-79.8-19000112.2M69 L70 K76 R77 H343 K344 L347 L349M69-D73 PolarHBondContact O-N 3.32Å; L70-D73 PolarHBondContact O-N 3.45Å; D73-K76 PolarHBondContact O-N 2.99Å; D73-R77 PolarHBondContact O-N 3.39Å; D73-H343 IonicContact OD2-CD2 3.97Å; D73-H343 PolarHBondContact OD2-CD2 2.97Å; D73-H343 VanDerWaalsContact OD2-CD2 3.23Å; D73-H343 IonicContact OD2-NE2 3.03Å; D73-H343 PolarHBondContact OD2-NE2 2.98Å; D73-K344 VanDerWaalsContact OD2-CE 3.28Å; D73-K344 WeakPolarHBondContact OD2-CE 3.35Å; D73-L347 HydrophobicContact CB-CD1 3.63Å; D73-L349 HydrophobicContact CB-CD1 3.56Å
74L97.3Very high92.5Very high0 Ų056 Ų560%028%0.281CS..Hα-helixtrans-61.5-42.6172-80.7165.3000112L70 T71 R77 N78 V245 V282 F286 L347L70-L74 HydrophobicContact CG-CD1 4.08Å; L70-L74 VanDerWaalsContact O-CB 3.28Å; L70-L74 WeakPolarHBondContact O-CB 3.49Å; L70-L74 WeakPolarHBondContact O-CD1 3.46Å; L70-L74 WeakPolarHBondContact O-CG 3.24Å; L70-L74 PolarHBondContact O-N 3.01Å; T71-L74 PolarHBondContact O-N 3.47Å; L74-R77 PolarHBondContact O-N 2.95Å; L74-N78 WeakPolarHBondContact O-CB 3.48Å; L74-N78 PolarHBondContact O-N 3.32Å; L74-V245 HydrophobicContact CD2-CB 4.19Å; L74-V245 HydrophobicContact CD2-CG1 3.77Å; L74-V245 HydrophobicContact CD2-CG2 4.05Å; L74-V282 HydrophobicContact CD1-CG1 4.14Å; L74-F286 HydrophobicContact CD1-CB 3.65Å; L74-F286 HydrophobicContact CD1-CD1 4.31Å; L74-F286 HydrophobicContact CD1-CG 4.01Å; L74-F286 HydrophobicContact CD2-CB 4.49Å; L74-F286 HydrophobicContact CD2-CD1 4.43Å; L74-F286 HydrophobicContact CD2-CD2 4.15Å; L74-F286 HydrophobicContact CD2-CG 4.09Å; L74-L347 HydrophobicContact CD2-CD1 4.42Å; L74-L347 HydrophobicContact CD2-CD2 3.54Å; L74-L347 HydrophobicContact CG-CD1 4.25Å; L74-L347 HydrophobicContact CG-CD2 4.21Å
75L97Very high92.9Very high64 Ų6466.2 Ų66.234%0.33532%0.316SS..Hα-helixtrans-63.5-44.9175.8-71.4171.6000110.8T71 Q72 N78 F79 I241T71-L75 HydrophobicContact CG2-CD1 4.27Å; T71-L75 VanDerWaalsContact O-CG 3.28Å; T71-L75 WeakPolarHBondContact O-CG 3.42Å; T71-L75 PolarHBondContact O-N 2.98Å; Q72-L75 PolarHBondContact O-N 3.26Å; L75-N78 WeakPolarHBondContact O-CB 3.38Å; L75-N78 PolarHBondContact O-N 3.34Å; L75-F79 WeakPolarHBondContact O-CD2 3.36Å; L75-F79 PolarHBondContact O-N 2.75Å; L75-I241 HydrophobicContact CD2-CD1 3.72Å
76K97.4Very high93Very high114 Ų11470 Ų7050%0.49632%0.321SS..Hα-helixtrans-57.1-51.9175.7-176-178.2174.1-172.70111.3Q72 D73 N78 F79 E80 L349Q72-K76 PolarHBondContact O-N 2.92Å; D73-K76 PolarHBondContact O-N 2.99Å; K76-N78 VanDerWaalsContact C-N 3.3Å; K76-N78 PolarHBondContact O-N 3.24Å; K76-F79 PolarHBondContact O-N 2.9Å; K76-F79 VanDerWaalsContact O-N 3.15Å; K76-E80 PolarHBondContact O-N 3.09Å; K76-L349 HydrophobicContact CB-CD2 4.31Å; K76-L349 HydrophobicContact CD-CD1 4.37Å; K76-L349 HydrophobicContact CD-CD2 3.82Å; K76-L349 HydrophobicContact CG-CD2 3.89Å
77R97.4Very high93Very high33 Ų3370 Ų7013%0.12533%0.326CS..Hα-helixtrans-61.8-40.1178.2-176.760.4176.8167-1.5111.6D73 L74 F79 E80 L81 V245 D248 L347 L349D73-R77 PolarHBondContact O-N 3.39Å; L74-R77 PolarHBondContact O-N 2.95Å; R77-F79 VanDerWaalsContact C-N 3.31Å; R77-F79 PolarHBondContact O-N 2.92Å; R77-E80 IonicContact CZ-OE2 3.99Å; R77-E80 IonicContact NH1-OE2 3.51Å; R77-E80 PolarHBondContact NH1-OE2 2.92Å; R77-E80 WeakPolarHBondContact O-CB 3.48Å; R77-E80 PolarHBondContact O-N 3.12Å; R77-L81 HydrophobicContact CG-CD1 3.89Å; R77-L81 HydrophobicContact CG-CG 4.32Å; R77-L81 VanDerWaalsContact O-CG 3.3Å; R77-L81 WeakPolarHBondContact O-CG 3.45Å; R77-L81 PolarHBondContact O-N 3.33Å; R77-L81 VanDerWaalsContact O-N 3.08Å; R77-V245 HydrophobicContact CB-CG2 4.48Å; R77-V245 HydrophobicContact CG-CG2 4.29Å; R77-D248 IonicContact CZ-OD1 2.68Å; R77-D248 IonicContact CZ-OD2 3.09Å; R77-D248 IonicContact NE-OD1 3.85Å; R77-D248 IonicContact NE-OD2 3.98Å; R77-D248 PolarHBondContact NE-OD2 3.47Å; R77-D248 IonicContact NH2-OD1 3.14Å; R77-D248 PolarHBondContact NH2-OD1 2.89Å; R77-D248 IonicContact NH2-OD2 2.65Å; R77-D248 PolarHBondContact NH2-OD2 2.55Å; R77-L347 WeakPolarHBondContact CD-O 3.28Å; R77-L347 VanDerWaalsContact CG-O 3.23Å; R77-L347 WeakPolarHBondContact CG-O 3.49Å; R77-L347 PolarHBondContact NE-O 3.38Å; R77-L347 VanDerWaalsContact NE-O 3.09Å; R77-L349 HydrophobicContact CB-CD2 4.01Å; R77-L349 HydrophobicContact CB-CG 4.36Å
78N96.8Very high93.1Very high11 Ų1172.2 Ų72.26%0.05934%0.339CS..Hα-helixtrans-59.9-39.6176171.487.5000112.4L74 L75 K76 E80 L81 V82 I241 R244 V245L74-N78 WeakPolarHBondContact O-CB 3.48Å; L74-N78 PolarHBondContact O-N 3.32Å; L75-N78 WeakPolarHBondContact O-CB 3.38Å; L75-N78 PolarHBondContact O-N 3.34Å; K76-N78 VanDerWaalsContact C-N 3.3Å; K76-N78 PolarHBondContact O-N 3.24Å; N78-E80 VanDerWaalsContact C-N 3.34Å; N78-E80 PolarHBondContact O-N 2.87Å; N78-L81 PolarHBondContact O-N 3.42Å; N78-V82 VanDerWaalsContact O-CG2 3.29Å; N78-V82 WeakPolarHBondContact O-CG2 3.49Å; N78-V82 PolarHBondContact O-N 2.8Å; N78-I241 HydrophobicContact CB-CG2 4.01Å; N78-R244 PolarHBondContact OD1-NE 2.75Å; N78-R244 PolarHBondContact OD1-NH2 3.21Å; N78-V245 HydrophobicContact CB-CG2 4.48Å
79F95.6Very high93.2Very high156 Ų15670 Ų7068%0.68434%0.338SS*.Hα-helixtrans-62.6-38.9175.2-79.4-68.1000112.6L75 K76 R77 L81L75-F79 WeakPolarHBondContact O-CD2 3.36Å; L75-F79 PolarHBondContact O-N 2.75Å; K76-F79 PolarHBondContact O-N 2.9Å; K76-F79 VanDerWaalsContact O-N 3.15Å; R77-F79 VanDerWaalsContact C-N 3.31Å; R77-F79 PolarHBondContact O-N 2.92Å; F79-L81 VanDerWaalsContact C-N 3.28Å; F79-L81 PolarHBondContact O-N 2.79Å
80E95.8Very high93.1Very high86 Ų8668.7 Ų68.740%0.40234%0.34SS..Hα-helixtrans-66.5-30175.2-64.2172.2-177.500112.7K76 R77 N78K76-E80 PolarHBondContact O-N 3.09Å; R77-E80 IonicContact CZ-OE2 3.99Å; R77-E80 IonicContact NH1-OE2 3.51Å; R77-E80 PolarHBondContact NH1-OE2 2.92Å; R77-E80 WeakPolarHBondContact O-CB 3.48Å; R77-E80 PolarHBondContact O-N 3.12Å; N78-E80 VanDerWaalsContact C-N 3.34Å; N78-E80 PolarHBondContact O-N 2.87Å
81L96.4Very high93.1Very high6 Ų668.8 Ų68.83%0.03134%0.34CS..Hα-helixtrans-89.2-18.5-176.6-67.5174.8000114.1R77 N78 F79 I133 T134 V245 D248R77-L81 HydrophobicContact CG-CD1 3.89Å; R77-L81 HydrophobicContact CG-CG 4.32Å; R77-L81 VanDerWaalsContact O-CG 3.3Å; R77-L81 WeakPolarHBondContact O-CG 3.45Å; R77-L81 PolarHBondContact O-N 3.33Å; R77-L81 VanDerWaalsContact O-N 3.08Å; N78-L81 PolarHBondContact O-N 3.42Å; F79-L81 VanDerWaalsContact C-N 3.28Å; F79-L81 PolarHBondContact O-N 2.79Å; L81-I133 HydrophobicContact CB-CG2 4.38Å; L81-I133 HydrophobicContact CD2-CG2 3.96Å; L81-I133 CarbonylContact O-C 3.56Å; L81-I133 VanDerWaalsContact O-CA 3.3Å; L81-I133 WeakPolarHBondContact O-CA 3.46Å; L81-T134 PolarHBondContact O-N 3.24Å; L81-V245 HydrophobicContact CD1-CG2 4.26Å; L81-D248 HydrophobicContact CD1-CB 3.55Å; L81-D248 HydrophobicContact CD2-CB 3.87Å; L81-D248 HydrophobicContact CG-CB 4.38Å
82V94.4Very high93.1Very high60 Ų6069.4 Ų69.436%0.36435%0.345SS..SBendtrans-70.7127.3178.3166.70000108.9N78N78-V82 VanDerWaalsContact O-CG2 3.29Å; N78-V82 WeakPolarHBondContact O-CG2 3.49Å; N78-V82 PolarHBondContact O-N 2.8Å
83P91.9Very high93Very high15 Ų1566.7 Ų66.710%0.09733%0.33CS..PPolyproline II helixtrans-61150.2177.5-12.221.1000111.9V88 L132P83-V88 HydrophobicContact CB-CG2 3.74Å; P83-V88 HydrophobicContact CG-CG2 4.21Å; P83-L132 HydrophobicContact CG-CB 3.86Å
84E88.2Confident92.8Very high145 Ų14566 Ų6668%0.67833%0.326SS*.PPolyproline II helixtrans-62.4146.7179-64.3-175.2177.200112.1F86 S87 V88E84-F86 PolarHBondContact O-N 2.68Å; E84-F86 VanDerWaalsContact O-N 3.14Å; E84-S87 PolarHBondContact O-N 3.1Å; E84-S87 VanDerWaalsContact O-N 3.11Å; E84-V88 PolarHBondContact O-N 2.92Å; E84-V88 VanDerWaalsContact O-N 3.09Å
85R86.8Confident92.7Very high238 Ų23866.3 Ų66.390%0.89833%0.328SS*.Hα-helixtrans-54.2-38.3-176-67-175.1-178.6-172.90.9113.1V88 G89R85-V88 PolarHBondContact O-N 3.49Å; R85-G89 PolarHBondContact O-N 3.19Å
86F83.8Confident92.6Very high177 Ų17767.7 Ų67.778%0.77633%0.333SS*.Hα-helixtrans-64-48.1179.9-177.7-98.9000112E84 V88 G89 G90E84-F86 PolarHBondContact O-N 2.68Å; E84-F86 VanDerWaalsContact O-N 3.14Å; F86-V88 PolarHBondContact O-N 3.27Å; F86-G89 PolarHBondContact O-N 3.14Å; F86-G90 PolarHBondContact O-N 2.9Å; F86-G90 VanDerWaalsContact O-N 3.07Å
87S86Confident92.5Very high38 Ų3862.5 Ų62.527%0.26631%0.31SS..Hα-helixtrans-60.8-43.8176.8166.80000111.8E84 L91 S137E84-S87 PolarHBondContact O-N 3.1Å; E84-S87 VanDerWaalsContact O-N 3.11Å; S87-L91 WeakPolarHBondContact O-CB 3.48Å; S87-L91 PolarHBondContact O-N 3.49Å; S87-L91 VanDerWaalsContact O-N 3.13Å; S87-S137 PolarHBondContact OG-OG 2.9Å; S87-S137 VanDerWaalsContact OG-OG 3.13Å
88V89.3Confident92.4Very high48 Ų4860.9 Ų60.929%0.29130%0.304SS..Hα-helixtrans-66.5-38.3177.5-177.70000111.5P83 E84 R85 F86 L91 S92P83-V88 HydrophobicContact CB-CG2 3.74Å; P83-V88 HydrophobicContact CG-CG2 4.21Å; E84-V88 PolarHBondContact O-N 2.92Å; E84-V88 VanDerWaalsContact O-N 3.09Å; R85-V88 PolarHBondContact O-N 3.49Å; F86-V88 PolarHBondContact O-N 3.27Å; V88-L91 PolarHBondContact O-N 3.47Å; V88-S92 WeakPolarHBondContact O-CB 3.37Å; V88-S92 PolarHBondContact O-N 3.41Å
89G90.8Very high92.4Very high39 Ų3961.6 Ų61.640%0.40231%0.309SS..Hα-helixtrans-62.1-48.5178.300000112.6R85 F86 L91 S92 Y93R85-G89 PolarHBondContact O-N 3.19Å; F86-G89 PolarHBondContact O-N 3.14Å; G89-L91 PolarHBondContact O-N 3.13Å; G89-S92 PolarHBondContact O-N 3.49Å; G89-Y93 PolarHBondContact O-N 3.21Å
90G89.7Confident92.3Very high34 Ų3460.1 Ų60.135%0.35130%0.299SS..Hα-helixtrans-62.2-40.617600000112.9F86 Y93 L94F86-G90 PolarHBondContact O-N 2.9Å; F86-G90 VanDerWaalsContact O-N 3.07Å; G90-Y93 PolarHBondContact O-N 3.25Å; G90-L94 PolarHBondContact O-N 3.47Å; G90-L94 VanDerWaalsContact O-N 3.1Å
91L93.5Very high92.2Very high2 Ų256.1 Ų56.11%0.0128%0.28CS..Hα-helixtrans-65-43.7175-17862.8000112.1S87 V88 G89 Y93 L94 V95 F127 L132 A139 A190 V192S87-L91 WeakPolarHBondContact O-CB 3.48Å; S87-L91 PolarHBondContact O-N 3.49Å; S87-L91 VanDerWaalsContact O-N 3.13Å; V88-L91 PolarHBondContact O-N 3.47Å; G89-L91 PolarHBondContact O-N 3.13Å; L91-Y93 VanDerWaalsContact C-N 3.33Å; L91-Y93 PolarHBondContact O-N 2.98Å; L91-L94 PolarHBondContact O-N 3.49Å; L91-V95 VanDerWaalsContact O-CG2 3.3Å; L91-V95 WeakPolarHBondContact O-CG2 3.5Å; L91-V95 PolarHBondContact O-N 2.84Å; L91-F127 HydrophobicContact CD2-CD2 3.9Å; L91-F127 HydrophobicContact CD2-CE2 4.45Å; L91-F127 HydrophobicContact CG-CD2 4.16Å; L91-F127 HydrophobicContact CG-CE2 4.32Å; L91-L132 HydrophobicContact CD2-CD1 3.84Å; L91-A139 HydrophobicContact CD1-CB 3.69Å; L91-A139 HydrophobicContact CD2-CB 4.05Å; L91-A139 HydrophobicContact CG-CB 3.92Å; L91-A190 HydrophobicContact CB-CB 4.23Å; L91-A190 HydrophobicContact CD1-CB 3.79Å; L91-V192 HydrophobicContact CD1-CG2 4.47Å
92S94.1Very high92.2Very high36 Ų3655.9 Ų55.925%0.25228%0.279SS..Hα-helixtrans-59.8-45.2177.3-166.20000111.2V88 G89 L94 V95 E96V88-S92 WeakPolarHBondContact O-CB 3.37Å; V88-S92 PolarHBondContact O-N 3.41Å; G89-S92 PolarHBondContact O-N 3.49Å; S92-L94 PolarHBondContact O-N 2.84Å; S92-V95 PolarHBondContact O-N 3.07Å; S92-E96 WeakPolarHBondContact O-CG 3.28Å; S92-E96 PolarHBondContact O-N 3.3Å; S92-E96 PolarHBondContact OG-OE1 3.37Å
93Y92.9Very high92.1Very high81 Ų8157.6 Ų57.632%0.31828%0.283SS..Hα-helixtrans-61.5-45.4178.3-177.1-99.1000112.1G89 G90 L91 V95 E96 L97 D169 F172G89-Y93 PolarHBondContact O-N 3.21Å; G90-Y93 PolarHBondContact O-N 3.25Å; L91-Y93 VanDerWaalsContact C-N 3.33Å; L91-Y93 PolarHBondContact O-N 2.98Å; Y93-V95 VanDerWaalsContact C-N 3.34Å; Y93-V95 PolarHBondContact O-N 2.81Å; Y93-E96 PolarHBondContact O-N 3.5Å; Y93-L97 HydrophobicContact CD1-CD1 3.89Å; Y93-L97 HydrophobicContact CD1-CG 4.32Å; Y93-L97 HydrophobicContact CE1-CD1 3.25Å; Y93-L97 HydrophobicContact CE1-CG 3.85Å; Y93-L97 PolarHBondContact O-N 3Å; Y93-D169 PolarHBondContact OH-OD2 3.5Å; Y93-F172 HydrophobicContact CD1-CE1 4.12Å; Y93-F172 AromaticContact CD1-CE2 3.63Å; Y93-F172 HydrophobicContact CD1-CE2 3.63Å; Y93-F172 AromaticContact CD1-CZ 3.34Å; Y93-F172 HydrophobicContact CD1-CZ 3.34Å; Y93-F172 AromaticContact CE1-CD2 3.94Å; Y93-F172 HydrophobicContact CE1-CD2 3.94Å; Y93-F172 HydrophobicContact CE1-CE1 4.39Å; Y93-F172 AromaticContact CE1-CE2 3.22Å; Y93-F172 HydrophobicContact CE1-CE2 3.22Å; Y93-F172 AromaticContact CE1-CZ 3.5Å; Y93-F172 HydrophobicContact CE1-CZ 3.5Å; Y93-F172 VanDerWaalsContact CE1-CZ 3.5Å
94L93.9Very high92.2Very high2 Ų258.7 Ų58.71%0.0130%0.297CS..Hα-helixtrans-63.4-39.6176.6-175.860.3000112G90 L91 S92 L97 V98 V174 I185 A190 V192G90-L94 PolarHBondContact O-N 3.47Å; G90-L94 VanDerWaalsContact O-N 3.1Å; L91-L94 PolarHBondContact O-N 3.49Å; S92-L94 PolarHBondContact O-N 2.84Å; L94-L97 PolarHBondContact O-N 2.75Å; L94-V98 HydrophobicContact CD1-CG2 4.46Å; L94-V98 VanDerWaalsContact O-CG2 3.29Å; L94-V98 WeakPolarHBondContact O-CG2 3.49Å; L94-V98 PolarHBondContact O-N 2.87Å; L94-V174 HydrophobicContact CD1-CG1 4.11Å; L94-I185 HydrophobicContact CD1-CG2 4.33Å; L94-A190 HydrophobicContact CD2-CB 3.96Å; L94-V192 HydrophobicContact CB-CG2 4.2Å; L94-V192 HydrophobicContact CD2-CG2 3.84Å; L94-V192 HydrophobicContact CG-CG2 3.67Å
95V95.7Very high92.3Very high7 Ų754.1 Ų54.14%0.04227%0.274CS..Hα-helixtrans-60.9-46.3174.1170.80000110.9L91 S92 Y93 L97 V98 V99 F127 A139 V141 V192L91-V95 VanDerWaalsContact O-CG2 3.3Å; L91-V95 WeakPolarHBondContact O-CG2 3.5Å; L91-V95 PolarHBondContact O-N 2.84Å; S92-V95 PolarHBondContact O-N 3.07Å; Y93-V95 VanDerWaalsContact C-N 3.34Å; Y93-V95 PolarHBondContact O-N 2.81Å; V95-L97 VanDerWaalsContact C-N 3.35Å; V95-L97 PolarHBondContact O-N 2.89Å; V95-V98 PolarHBondContact O-N 2.87Å; V95-V99 HydrophobicContact CG1-CG2 4.35Å; V95-V99 WeakPolarHBondContact O-CG2 3.29Å; V95-V99 PolarHBondContact O-N 3.32Å; V95-F127 HydrophobicContact CB-CE1 4.21Å; V95-F127 HydrophobicContact CB-CZ 4.4Å; V95-F127 HydrophobicContact CG1-CD1 4.45Å; V95-F127 HydrophobicContact CG1-CE1 3.9Å; V95-F127 HydrophobicContact CG2-CD1 4.31Å; V95-F127 HydrophobicContact CG2-CE1 4.1Å; V95-F127 HydrophobicContact CG2-CZ 4.32Å; V95-A139 HydrophobicContact CG2-CB 3.33Å; V95-V141 HydrophobicContact CG1-CG2 4.04Å; V95-V192 HydrophobicContact CG2-CG2 3.68Å
96E94.8Very high92.4Very high94 Ų9446 Ų4644%0.43925%0.247SC..Hα-helixtrans-61.4-41.3178.1-73.9169.7-148.400112.3S92 Y93 R100S92-E96 WeakPolarHBondContact O-CG 3.28Å; S92-E96 PolarHBondContact O-N 3.3Å; S92-E96 PolarHBondContact OG-OE1 3.37Å; Y93-E96 PolarHBondContact O-N 3.5Å; E96-R100 WeakPolarHBondContact O-CB 3.36Å; E96-R100 PolarHBondContact O-N 3.23Å
97L94.1Very high92.5Very high4 Ų444.6 Ų44.62%0.02125%0.247CC..Hα-helixtrans-63.1-48.1174.6-76.5-178.8000112Y93 L94 V95 V99 R100 V101 I165Y93-L97 HydrophobicContact CD1-CD1 3.89Å; Y93-L97 HydrophobicContact CD1-CG 4.32Å; Y93-L97 HydrophobicContact CE1-CD1 3.25Å; Y93-L97 HydrophobicContact CE1-CG 3.85Å; Y93-L97 PolarHBondContact O-N 3Å; L94-L97 PolarHBondContact O-N 2.75Å; V95-L97 VanDerWaalsContact C-N 3.35Å; V95-L97 PolarHBondContact O-N 2.89Å; L97-V99 PolarHBondContact O-N 2.93Å; L97-R100 PolarHBondContact O-N 3.26Å; L97-V101 WeakPolarHBondContact O-CG2 3.33Å; L97-V101 PolarHBondContact O-N 3.42Å; L97-I165 HydrophobicContact CD1-CG2 4.29Å
98V95.5Very high92.2Very high0 Ų046 Ų460%025%0.251CS..Hα-helixtrans-59.1-47.8178.4169.40000110.7L94 V95 V101 I102 I165 I185 V192 V194L94-V98 HydrophobicContact CD1-CG2 4.46Å; L94-V98 VanDerWaalsContact O-CG2 3.29Å; L94-V98 WeakPolarHBondContact O-CG2 3.49Å; L94-V98 PolarHBondContact O-N 2.87Å; V95-V98 PolarHBondContact O-N 2.87Å; V98-V101 PolarHBondContact O-N 3.32Å; V98-I102 HydrophobicContact CG1-CD1 3.62Å; V98-I102 WeakPolarHBondContact O-CB 3.29Å; V98-I102 WeakPolarHBondContact O-CD1 3.43Å; V98-I102 VanDerWaalsContact O-CG1 3.22Å; V98-I102 WeakPolarHBondContact O-CG1 3.47Å; V98-I102 PolarHBondContact O-N 3.04Å; V98-I165 HydrophobicContact CG2-CD1 3.7Å; V98-I185 HydrophobicContact CG2-CB 4.26Å; V98-I185 HydrophobicContact CG2-CG1 4.2Å; V98-I185 HydrophobicContact CG2-CG2 4.23Å; V98-V192 HydrophobicContact CB-CG1 4.33Å; V98-V192 HydrophobicContact CG1-CG1 4.12Å; V98-V192 HydrophobicContact CG2-CB 4.23Å; V98-V192 HydrophobicContact CG2-CG1 4.19Å; V98-V192 HydrophobicContact CG2-CG2 4.45Å; V98-V194 HydrophobicContact CG1-CG2 3.92Å
99V96.3Very high91.1Very high26 Ų2649.8 Ų49.816%0.15828%0.277CS..Hα-helixtrans-61-47.3177.6171.50000110.8V95 L97 V101 I102 E103 V121 V141V95-V99 HydrophobicContact CG1-CG2 4.35Å; V95-V99 WeakPolarHBondContact O-CG2 3.29Å; V95-V99 PolarHBondContact O-N 3.32Å; L97-V99 PolarHBondContact O-N 2.93Å; V99-V101 PolarHBondContact O-N 3.11Å; V99-I102 PolarHBondContact O-N 3.47Å; V99-E103 HydrophobicContact CG1-CG 4.17Å; V99-E103 WeakPolarHBondContact O-CB 3.45Å; V99-E103 WeakPolarHBondContact O-CG 3.22Å; V99-E103 PolarHBondContact O-N 2.82Å; V99-V121 HydrophobicContact CG1-CG1 4.26Å; V99-V121 HydrophobicContact CG2-CG2 4.42Å; V99-V141 HydrophobicContact CG2-CG1 4.07Å; V99-V141 HydrophobicContact CG2-CG2 4.18Å
100R94.8Very high89.8Confident124 Ų12454.8 Ų54.847%0.46829%0.29SS..Hα-helixtrans-60.1-43179.7-174.5-176.4-58.7139.18.4112.6E96 L97 E103 G104E96-R100 WeakPolarHBondContact O-CB 3.36Å; E96-R100 PolarHBondContact O-N 3.23Å; L97-R100 PolarHBondContact O-N 3.26Å; R100-E103 PolarHBondContact O-N 3.1Å; R100-G104 PolarHBondContact O-N 3.45Å
101V94.2Very high88.5Confident3 Ų355.9 Ų55.92%0.01830%0.296CS..Hα-helixtrans-64.1-43.2177.4171.30000110.5L97 V98 V99 G104 Y105 I161 K164 I165 F168L97-V101 WeakPolarHBondContact O-CG2 3.33Å; L97-V101 PolarHBondContact O-N 3.42Å; V98-V101 PolarHBondContact O-N 3.32Å; V99-V101 PolarHBondContact O-N 3.11Å; V101-G104 PolarHBondContact O-N 3.21Å; V101-Y105 HydrophobicContact CG1-CD2 4.16Å; V101-Y105 HydrophobicContact CG1-CE2 3.87Å; V101-Y105 VanDerWaalsContact O-CD2 3.24Å; V101-Y105 WeakPolarHBondContact O-CD2 3.43Å; V101-Y105 PolarHBondContact O-N 3.27Å; V101-I161 HydrophobicContact CG1-CB 4.42Å; V101-I161 HydrophobicContact CG1-CG1 4.19Å; V101-I161 HydrophobicContact CG1-CG2 4.22Å; V101-K164 HydrophobicContact CG1-CB 3.8Å; V101-K164 HydrophobicContact CG1-CD 4.09Å; V101-K164 HydrophobicContact CG2-CB 4.41Å; V101-I165 HydrophobicContact CG2-CG1 3.9Å; V101-F168 HydrophobicContact CG2-CD2 3.77Å; V101-F168 HydrophobicContact CG2-CE2 3.86Å
102I94.6Very high86.6Confident0 Ų065.4 Ų65.40%034%0.337CS..Hα-helixtrans-65.5-43.7177.8-68163.7000111.5V98 V99 G104 Y105 M106 I118 V121 V141 V143 F157 I161 V194V98-I102 HydrophobicContact CG1-CD1 3.62Å; V98-I102 WeakPolarHBondContact O-CB 3.29Å; V98-I102 WeakPolarHBondContact O-CD1 3.43Å; V98-I102 VanDerWaalsContact O-CG1 3.22Å; V98-I102 WeakPolarHBondContact O-CG1 3.47Å; V98-I102 PolarHBondContact O-N 3.04Å; V99-I102 PolarHBondContact O-N 3.47Å; I102-G104 PolarHBondContact O-N 3.3Å; I102-Y105 WeakPolarHBondContact O-CB 3.17Å; I102-Y105 PolarHBondContact O-N 3.09Å; I102-M106 PolarHBondContact O-N 3.4Å; I102-I118 HydrophobicContact CG2-CD1 3.87Å; I102-I118 HydrophobicContact CG2-CG2 4.41Å; I102-V121 HydrophobicContact CB-CG2 4.23Å; I102-V121 HydrophobicContact CD1-CG2 4.09Å; I102-V121 HydrophobicContact CG2-CB 3.68Å; I102-V121 HydrophobicContact CG2-CG1 3.99Å; I102-V121 HydrophobicContact CG2-CG2 3.78Å; I102-V141 HydrophobicContact CD1-CG1 4.41Å; I102-V143 HydrophobicContact CD1-CG2 3.71Å; I102-V143 HydrophobicContact CG2-CG1 4.48Å; I102-V143 HydrophobicContact CG2-CG2 4.17Å; I102-F157 HydrophobicContact CG1-CZ 4.42Å; I102-I161 HydrophobicContact CD1-CD1 4.21Å; I102-I161 HydrophobicContact CG1-CD1 3.77Å; I102-I161 HydrophobicContact CG1-CG1 4.37Å; I102-V194 HydrophobicContact CD1-CG1 4.47Å
103E94.1Very high85.2Confident96 Ų9667.6 Ų67.645%0.44935%0.346SS..Hα-helixtrans-60.8-34.8173.9-72.5177.7156.700111.6V99 R100 Y105 M106 L107 V121V99-E103 HydrophobicContact CG1-CG 4.17Å; V99-E103 WeakPolarHBondContact O-CB 3.45Å; V99-E103 WeakPolarHBondContact O-CG 3.22Å; V99-E103 PolarHBondContact O-N 2.82Å; R100-E103 PolarHBondContact O-N 3.1Å; E103-Y105 VanDerWaalsContact C-N 3.34Å; E103-Y105 PolarHBondContact O-N 2.78Å; E103-M106 HydrophobicContact CG-SD 4.45Å; E103-M106 WeakPolarHBondContact O-CB 3.37Å; E103-M106 PolarHBondContact O-N 2.89Å; E103-L107 PolarHBondContact O-N 2.97Å; E103-V121 HydrophobicContact CG-CG1 3.65Å
104G92.3Very high83.9Confident38 Ų3870.4 Ų70.439%0.39237%0.366SS..Hα-helixtrans-59.2-42.7170.900000112.8R100 V101 I102 M106 L107 D108R100-G104 PolarHBondContact O-N 3.45Å; V101-G104 PolarHBondContact O-N 3.21Å; I102-G104 PolarHBondContact O-N 3.3Å; G104-M106 VanDerWaalsContact C-N 3.34Å; G104-L107 PolarHBondContact O-N 3.36Å; G104-D108 PolarHBondContact O-N 2.97Å
105Y90.1Very high82.6Confident50 Ų5074.3 Ų74.320%0.19639%0.387CS..Hα-helixtrans-69.4-28.2174.1-77.6-75.6000113.5V101 I102 E103 L107 D108 F157 C160 I161 K164V101-Y105 HydrophobicContact CG1-CD2 4.16Å; V101-Y105 HydrophobicContact CG1-CE2 3.87Å; V101-Y105 VanDerWaalsContact O-CD2 3.24Å; V101-Y105 WeakPolarHBondContact O-CD2 3.43Å; V101-Y105 PolarHBondContact O-N 3.27Å; I102-Y105 WeakPolarHBondContact O-CB 3.17Å; I102-Y105 PolarHBondContact O-N 3.09Å; E103-Y105 VanDerWaalsContact C-N 3.34Å; E103-Y105 PolarHBondContact O-N 2.78Å; Y105-L107 PolarHBondContact O-N 3.49Å; Y105-D108 PolarHBondContact O-N 2.93Å; Y105-F157 HydrophobicContact CD2-CE2 4.07Å; Y105-F157 HydrophobicContact CE2-CE2 4.44Å; Y105-F157 HydrophobicContact CG-CE2 4.11Å; Y105-C160 WeakPolarHBondContact OH-CB 3.16Å; Y105-I161 HydrophobicContact CE2-CG1 4.3Å; Y105-K164 HydrophobicContact CE2-CD 3.58Å; Y105-K164 VanDerWaalsContact OH-CD 3.29Å; Y105-K164 WeakPolarHBondContact OH-CD 3.23Å; Y105-K164 WeakPolarHBondContact OH-CE 3.48Å; Y105-K164 PolarHBondContact OH-NZ 3.09Å
106M89.5Confident81.6Confident67 Ų6775.7 Ų75.733%0.3339%0.394SS..Hα-helixtrans-64.7-28.7174.5-70.9177.866.800112.9I102 E103 G104 I118 A119 V121I102-M106 PolarHBondContact O-N 3.4Å; E103-M106 HydrophobicContact CG-SD 4.45Å; E103-M106 WeakPolarHBondContact O-CB 3.37Å; E103-M106 PolarHBondContact O-N 2.89Å; G104-M106 VanDerWaalsContact C-N 3.34Å; M106-I118 HydrophobicContact CE-CG2 4.45Å; M106-I118 HydrophobicContact CG-CB 3.57Å; M106-I118 HydrophobicContact CG-CD1 4.34Å; M106-I118 HydrophobicContact CG-CG2 3.42Å; M106-I118 VanDerWaalsContact CG-CG2 3.42Å; M106-I118 HydrophobicContact SD-CG2 3.84Å; M106-A119 WeakPolarHBondContact CE-O 3.3Å; M106-V121 HydrophobicContact SD-CB 4.44Å; M106-V121 HydrophobicContact SD-CG1 3.84Å
107L86.5Confident81.3Confident148 Ų14872.3 Ų72.378%0.77538%0.382SS*.THydrogen-bonded Turntrans-96.5-5-177-62.4175.6000113.1E103 G104 Y105 P109E103-L107 PolarHBondContact O-N 2.97Å; G104-L107 PolarHBondContact O-N 3.36Å; Y105-L107 PolarHBondContact O-N 3.49Å; L107-P109 VanDerWaalsContact O-CD 3.25Å; L107-P109 WeakPolarHBondContact O-CD 3.11Å
108D80.1Confident81.2Confident66 Ų6672.7 Ų72.735%0.35338%0.384SS..  trans-72.1113.1-176.6-165.9-15.7000110.6G104 Y105 E110G104-D108 PolarHBondContact O-N 2.97Å; Y105-D108 PolarHBondContact O-N 2.93Å; D108-E110 PolarHBondContact O-N 3.5Å; D108-E110 PolarHBondContact OD1-N 3.28Å
109P65.9Low81.1Confident128 Ų12874.1 Ų74.183%0.83140%0.396SS*.THydrogen-bonded Turntrans-71.5-15.6179.230.9-35000112.7L107L107-P109 VanDerWaalsContact O-CD 3.25Å; L107-P109 WeakPolarHBondContact O-CD 3.11Å
110E63.6Low81Confident144 Ų14476.3 Ų76.367%0.67341%0.41SS*.THydrogen-bonded Turntrans-9618.4-177.5-60.8-164.8172.700113.5D108 K112D108-E110 PolarHBondContact O-N 3.5Å; D108-E110 PolarHBondContact OD1-N 3.28Å; E110-K112 VanDerWaalsContact C-N 3.3Å; E110-K112 WeakPolarHBondContact O-CG 3.45Å; E110-K112 PolarHBondContact O-N 2.97Å
111A61.1Low81.1Confident57 Ų5771.2 Ų71.247%0.47139%0.392SS..  trans-59.893.4174.800000110D113A111-D113 PolarHBondContact O-N 3.18Å; A111-D113 VanDerWaalsContact O-N 3.08Å
112K55.4Low81.2Confident203 Ų20374 Ų7488%0.88340%0.404SS*.  trans-67.6-6.4-173.9-78.2173.7-175.5170.10113.9E110E110-K112 VanDerWaalsContact C-N 3.3Å; E110-K112 WeakPolarHBondContact O-CG 3.45Å; E110-K112 PolarHBondContact O-N 2.97Å
113D63.5Low81.3Confident82 Ų8275.2 Ų75.244%0.43941%0.413SS..  trans-129.6106.5-174.4-161.2-7.4000109.6A111 D115 L116A111-D113 PolarHBondContact O-N 3.18Å; A111-D113 VanDerWaalsContact O-N 3.08Å; D113-D115 PolarHBondContact O-N 3.44Å; D113-D115 PolarHBondContact OD1-N 3.35Å; D113-L116 PolarHBondContact O-N 3.18Å
114D66.1Low81.5Confident139 Ų13970.7 Ų70.774%0.74339%0.392SS*.G310 helixtrans-59.1-25.4179-87.8-23.1000111.6L116 A117D114-L116 VanDerWaalsContact C-N 3.29Å; D114-L116 PolarHBondContact O-N 3.1Å; D114-A117 WeakPolarHBondContact O-CB 3.35Å; D114-A117 PolarHBondContact O-N 2.82Å
115D66.9Low81.7Confident84 Ų8469.2 Ų69.245%0.44938%0.376SS..G310 helixtrans-68.5-28.1-176.9-74-22000112.9D113 G147D113-D115 PolarHBondContact O-N 3.44Å; D113-D115 PolarHBondContact OD1-N 3.35Å; D115-G147 WeakPolarHBondContact O-CA 3.45Å
116L74.8Confident81.9Confident36 Ų3668.5 Ų68.519%0.18838%0.379CS..G310 helixtrans-103.112.2179-74.1174.3000113.8D113 D114 I118 F145 A153 F157D113-L116 PolarHBondContact O-N 3.18Å; D114-L116 VanDerWaalsContact C-N 3.29Å; D114-L116 PolarHBondContact O-N 3.1Å; L116-I118 WeakPolarHBondContact O-CG1 3.46Å; L116-I118 PolarHBondContact O-N 3.45Å; L116-F145 HydrophobicContact CB-CD1 4.42Å; L116-F145 HydrophobicContact CB-CE1 4.21Å; L116-F145 HydrophobicContact CD2-CD1 3.97Å; L116-F145 HydrophobicContact CD2-CE1 3.46Å; L116-F145 VanDerWaalsContact CD2-CE1 3.46Å; L116-F145 HydrophobicContact CD2-CE2 4.43Å; L116-F145 HydrophobicContact CD2-CZ 3.72Å; L116-F145 HydrophobicContact CG-CE1 4.45Å; L116-F145 WeakPolarHBondContact O-CD1 3.46Å; L116-F145 WeakPolarHBondContact O-CE1 3.42Å; L116-A153 HydrophobicContact CD1-CB 3.91Å; L116-A153 HydrophobicContact CD2-CB 3.92Å; L116-A153 HydrophobicContact CG-CB 3.99Å; L116-F157 HydrophobicContact CD1-CB 4.44Å
117A87.3Confident82.2Confident23 Ų2366.8 Ų66.819%0.1937%0.37CS..  trans-61.3121173.500000110.6D114 F145 R146D114-A117 WeakPolarHBondContact O-CB 3.35Å; D114-A117 PolarHBondContact O-N 2.82Å; A117-F145 CarbonylContact O-C 3.42Å; A117-F145 WeakPolarHBondContact O-CA 3.35Å; A117-R146 HydrophobicContact CB-CB 4.22Å; A117-R146 HydrophobicContact CB-CG 4.45Å; A117-R146 WeakPolarHBondContact O-CB 3.43Å; A117-R146 PolarHBondContact O-N 3.24Å
118I92.5Very high82.6Confident12 Ų1262.6 Ų62.66%0.06235%0.346CS..EExtended strand (participates in β ladder)trans-87.6125.6-173-55.6175.5000109.8I102 M106 L116 V143 F145 F157I102-I118 HydrophobicContact CG2-CD1 3.87Å; I102-I118 HydrophobicContact CG2-CG2 4.41Å; M106-I118 HydrophobicContact CE-CG2 4.45Å; M106-I118 HydrophobicContact CG-CB 3.57Å; M106-I118 HydrophobicContact CG-CD1 4.34Å; M106-I118 HydrophobicContact CG-CG2 3.42Å; M106-I118 VanDerWaalsContact CG-CG2 3.42Å; M106-I118 HydrophobicContact SD-CG2 3.84Å; L116-I118 WeakPolarHBondContact O-CG1 3.46Å; L116-I118 PolarHBondContact O-N 3.45Å; I118-V143 HydrophobicContact CD1-CG1 4.39Å; I118-V143 HydrophobicContact CG1-CG1 4.36Å; I118-V143 HydrophobicContact CG2-CG1 3.86Å; I118-F145 HydrophobicContact CD1-CE1 4.45Å; I118-F145 HydrophobicContact CG1-CD1 4.02Å; I118-F145 HydrophobicContact CG1-CE1 3.77Å; I118-F157 HydrophobicContact CD1-CE1 4.36Å; I118-F157 HydrophobicContact CD1-CE2 3.95Å; I118-F157 HydrophobicContact CD1-CZ 3.45Å; I118-F157 VanDerWaalsContact CD1-CZ 3.45Å; I118-F157 HydrophobicContact CG1-CZ 4.49Å
119A93Very high83.4Confident31 Ų3160 Ų6026%0.25633%0.331SS..EExtended strand (participates in β ladder)trans-82.9-45.7176.400000111.8M106 V144 R146 L199M106-A119 WeakPolarHBondContact CE-O 3.3Å; A119-V144 WeakPolarHBondContact CA-O 3.22Å; A119-V144 HydrophobicContact CB-CB 4.35Å; A119-V144 HydrophobicContact CB-CG1 4.19Å; A119-V144 WeakPolarHBondContact CB-O 3.48Å; A119-V144 PolarHBondContact N-O 2.86Å; A119-R146 HydrophobicContact CB-CG 3.75Å; A119-L199 HydrophobicContact CB-CD2 4.19Å
120T94.8Very high84.8Confident71 Ų7161.9 Ų61.944%0.43632%0.322SS..EExtended strand (participates in β ladder)trans-161.7152.9-179.3-175.60000111V144T120-V144 HydrophobicContact CG2-CB 3.67Å; T120-V144 HydrophobicContact CG2-CG2 3.52Å; T120-V144 PolarHBondContact N-O 3.39Å; T120-V144 PolarHBondContact O-N 3.13Å
121V96.7Very high86.3Confident17 Ų1755 Ų5510%0.10329%0.29CS..EExtended strand (participates in β ladder)trans-124.7139.5169.660.90000109.2V99 I102 E103 M106 V141 A142 V143V99-V121 HydrophobicContact CG1-CG1 4.26Å; V99-V121 HydrophobicContact CG2-CG2 4.42Å; I102-V121 HydrophobicContact CB-CG2 4.23Å; I102-V121 HydrophobicContact CD1-CG2 4.09Å; I102-V121 HydrophobicContact CG2-CB 3.68Å; I102-V121 HydrophobicContact CG2-CG1 3.99Å; I102-V121 HydrophobicContact CG2-CG2 3.78Å; E103-V121 HydrophobicContact CG-CG1 3.65Å; M106-V121 HydrophobicContact SD-CB 4.44Å; M106-V121 HydrophobicContact SD-CG1 3.84Å; V121-V141 HydrophobicContact CG2-CG1 3.49Å; V121-V141 VanDerWaalsContact CG2-CG1 3.49Å; V121-A142 CarbonylContact C-O 3.57Å; V121-A142 VanDerWaalsContact CA-O 3.3Å; V121-A142 WeakPolarHBondContact CA-O 3.32Å; V121-V143 HydrophobicContact CG2-CG2 4.07Å
122K96.2Very high88Confident61 Ų6153.2 Ų53.227%0.26527%0.272SS..EExtended strand (participates in β ladder)trans-148.9137178.3-172172.8176.7177.40111.8V141 A142 E231K122-V141 CarbonylContact O-C 3.58Å; K122-A142 PolarHBondContact N-O 3.43Å; K122-A142 PolarHBondContact O-N 2.96Å; K122-E231 WeakPolarHBondContact CE-OE1 3.31Å; K122-E231 IonicContact NZ-OE1 2.75Å; K122-E231 PolarHBondContact NZ-OE1 3.15Å; K122-E231 VanDerWaalsContact NZ-OE1 3.12Å; K122-E231 IonicContact NZ-OE2 3.06Å; K122-E231 PolarHBondContact NZ-OE2 3.08Å
123S97.2Very high89.8Confident27 Ų2744.5 Ų44.519%0.18924%0.235CC..EExtended strand (participates in β ladder)trans-67.7135.7167.247.80000111E128S123-E128 WeakPolarHBondContact CB-OE2 3.47Å; S123-E128 WeakPolarHBondContact O-CG 3.36Å; S123-E128 VanDerWaalsContact OG-CD 3.27Å; S123-E128 PolarHBondContact OG-OE2 3.35Å
124V97.5Very high91.2Very high0 Ų043.9 Ų43.90%024%0.235CC..EExtended strand (participates in β ladder)trans-138.7177.8-173.9-63.20000112.2D140 A142 I195 T223 I224 T227V124-D140 HydrophobicContact CG2-CB 3.64Å; V124-D140 PolarHBondContact N-O 3.25Å; V124-A142 HydrophobicContact CG1-CB 3.96Å; V124-A142 HydrophobicContact CG2-CB 4.08Å; V124-I195 HydrophobicContact CG2-CD1 3.8Å; V124-I195 HydrophobicContact CG2-CG1 4.39Å; V124-T223 HydrophobicContact CB-CG2 4.25Å; V124-T223 HydrophobicContact CG2-CG2 4.03Å; V124-I224 HydrophobicContact CG1-CG1 4.37Å; V124-T227 HydrophobicContact CB-CG2 4.34Å; V124-T227 WeakPolarHBondContact CB-OG1 3.42Å; V124-T227 HydrophobicContact CG1-CG2 4.33Å
125G95.9Very high92.2Very high7 Ų741 Ų417%0.07224%0.237CC..Hα-helixtrans76.9-154169.700000114F127 E128 K129 T227G125-F127 VanDerWaalsContact C-N 3.31Å; G125-F127 PolarHBondContact O-N 3.16Å; G125-E128 PolarHBondContact O-N 3.31Å; G125-K129 WeakPolarHBondContact O-CB 3.46Å; G125-K129 WeakPolarHBondContact O-CD 3.33Å; G125-K129 WeakPolarHBondContact O-CG 2.77Å; G125-K129 PolarHBondContact O-N 3.45Å; G125-T227 PolarHBondContact N-OG1 2.79Å
126S95.7Very high93.2Very high35 Ų3543.4 Ų43.425%0.24524%0.244CC..Hα-helixtrans-69.1-29.3-170.4-65.10000113.2R130 T131 L132 K247S126-R130 PolarHBondContact O-N 2.87Å; S126-T131 PolarHBondContact O-N 2.81Å; S126-L132 PolarHBondContact O-N 2.98Å; S126-K247 PolarHBondContact OG-NZ 3.49Å
127F95.7Very high94Very high32 Ų3243.3 Ų43.314%0.1425%0.246CC..Hα-helixtrans-62.4-57.6174.3174.5-98.7000110.2L91 V95 G125 K129 R130 L132 A139L91-F127 HydrophobicContact CD2-CD2 3.9Å; L91-F127 HydrophobicContact CD2-CE2 4.45Å; L91-F127 HydrophobicContact CG-CD2 4.16Å; L91-F127 HydrophobicContact CG-CE2 4.32Å; V95-F127 HydrophobicContact CB-CE1 4.21Å; V95-F127 HydrophobicContact CB-CZ 4.4Å; V95-F127 HydrophobicContact CG1-CD1 4.45Å; V95-F127 HydrophobicContact CG1-CE1 3.9Å; V95-F127 HydrophobicContact CG2-CD1 4.31Å; V95-F127 HydrophobicContact CG2-CE1 4.1Å; V95-F127 HydrophobicContact CG2-CZ 4.32Å; G125-F127 VanDerWaalsContact C-N 3.31Å; G125-F127 PolarHBondContact O-N 3.16Å; F127-K129 VanDerWaalsContact C-N 3.35Å; F127-K129 PolarHBondContact O-N 3.02Å; F127-R130 PolarHBondContact O-N 2.89Å; F127-L132 HydrophobicContact CB-CD1 4.02Å; F127-L132 HydrophobicContact CB-CD2 4.44Å; F127-L132 HydrophobicContact CB-CG 4.35Å; F127-L132 HydrophobicContact CD2-CD1 3.77Å; F127-L132 HydrophobicContact CG-CD1 4.38Å; F127-A139 HydrophobicContact CB-CB 3.64Å; F127-A139 HydrophobicContact CD1-CB 4.15Å; F127-A139 HydrophobicContact CD2-CB 4.16Å; F127-A139 HydrophobicContact CG-CB 3.72Å
128E95.6Very high94.4Very high59 Ų5944.6 Ų44.628%0.27625%0.251SS..Hα-helixtrans-61.5-42.7-179-168.158.4-144.600112.2S123 G125 R130 T227 E231S123-E128 WeakPolarHBondContact CB-OE2 3.47Å; S123-E128 WeakPolarHBondContact O-CG 3.36Å; S123-E128 VanDerWaalsContact OG-CD 3.27Å; S123-E128 PolarHBondContact OG-OE2 3.35Å; G125-E128 PolarHBondContact O-N 3.31Å; E128-R130 PolarHBondContact O-N 3.1Å; E128-R130 VanDerWaalsContact O-N 3.11Å; E128-T227 HydrophobicContact CB-CG2 3.96Å; E128-T227 HydrophobicContact CG-CG2 3.67Å; E128-E231 WeakPolarHBondContact CG-OE1 3.3Å
129K96.2Very high94.6Very high11 Ų1144 Ų445%0.04825%0.248CC..THydrogen-bonded Turntrans-70.3-7.7178.4-64173.1-173.6-179.90113.6G125 F127 T131 F230 R240 E265G125-K129 WeakPolarHBondContact O-CB 3.46Å; G125-K129 WeakPolarHBondContact O-CD 3.33Å; G125-K129 WeakPolarHBondContact O-CG 2.77Å; G125-K129 PolarHBondContact O-N 3.45Å; F127-K129 VanDerWaalsContact C-N 3.35Å; F127-K129 PolarHBondContact O-N 3.02Å; K129-T131 VanDerWaalsContact C-N 3.31Å; K129-T131 HydrophobicContact CB-CG2 4.39Å; K129-T131 PolarHBondContact O-N 3.19Å; K129-F230 HydrophobicContact CB-CD1 3.69Å; K129-F230 HydrophobicContact CB-CE1 3.74Å; K129-F230 HydrophobicContact CB-CG 4.19Å; K129-F230 HydrophobicContact CB-CZ 4.28Å; K129-F230 HydrophobicContact CD-CB 4.03Å; K129-F230 HydrophobicContact CD-CD1 4.18Å; K129-F230 HydrophobicContact CD-CD2 4.01Å; K129-F230 HydrophobicContact CD-CG 3.8Å; K129-F230 HydrophobicContact CG-CB 3.99Å; K129-F230 HydrophobicContact CG-CD1 3.61Å; K129-F230 HydrophobicContact CG-CD2 4.36Å; K129-F230 HydrophobicContact CG-CE1 4.19Å; K129-F230 HydrophobicContact CG-CG 3.72Å; K129-F230 WeakPolarHBondContact O-CE1 3.44Å; K129-R240 PolarHBondContact O-NE 3.15Å; K129-E265 WeakPolarHBondContact CD-OE1 3.42Å; K129-E265 VanDerWaalsContact NZ-CD 3.29Å; K129-E265 IonicContact NZ-OE1 2.79Å; K129-E265 PolarHBondContact NZ-OE1 2.99Å; K129-E265 VanDerWaalsContact NZ-OE1 3.14Å; K129-E265 IonicContact NZ-OE2 3.17Å; K129-E265 PolarHBondContact NZ-OE2 3.09Å
130R95Very high94.8Very high169 Ų16943.4 Ų43.464%0.63824%0.241SC*.THydrogen-bonded Turntrans5642.1-174-54.3-177.7-177.6-177.7-0.4112.8S126 F127 E128 R244S126-R130 PolarHBondContact O-N 2.87Å; F127-R130 PolarHBondContact O-N 2.89Å; E128-R130 PolarHBondContact O-N 3.1Å; E128-R130 VanDerWaalsContact O-N 3.11Å; R130-R244 PolarHBondContact O-NH1 2.91Å
131T96Very high95Very high0 Ų040 Ų400%022%0.22CC..  trans-122.425.817863.20000112.6S126 K129 F230 R240 V243 K247S126-T131 PolarHBondContact O-N 2.81Å; K129-T131 VanDerWaalsContact C-N 3.31Å; K129-T131 HydrophobicContact CB-CG2 4.39Å; K129-T131 PolarHBondContact O-N 3.19Å; T131-F230 HydrophobicContact CG2-CZ 4.03Å; T131-R240 HydrophobicContact CG2-CB 4.18Å; T131-R240 HydrophobicContact CG2-CG 4.13Å; T131-V243 HydrophobicContact CG2-CB 4.17Å; T131-V243 HydrophobicContact CG2-CG1 3.87Å; T131-K247 PolarHBondContact O-NZ 3.26Å; T131-K247 PolarHBondContact OG1-NZ 3.31Å
132L95Very high95Very high19 Ų1939.2 Ų39.210%0.09922%0.215CC..  trans-60.9150.3168.3-70.5174.6000111.3P83 L91 S126 F127 V138 R244P83-L132 HydrophobicContact CG-CB 3.86Å; L91-L132 HydrophobicContact CD2-CD1 3.84Å; S126-L132 PolarHBondContact O-N 2.98Å; F127-L132 HydrophobicContact CB-CD1 4.02Å; F127-L132 HydrophobicContact CB-CD2 4.44Å; F127-L132 HydrophobicContact CB-CG 4.35Å; F127-L132 HydrophobicContact CD2-CD1 3.77Å; F127-L132 HydrophobicContact CG-CD1 4.38Å; L132-V138 WeakPolarHBondContact CD2-O 3.38Å; L132-R244 WeakPolarHBondContact O-CD 3.46Å
133I94.1Very high95.1Very high20 Ų2036.3 Ų36.310%0.10320%0.203CC..  trans-120.7145.5178.2-60.7170.2000108L81 K136 R244 K247L81-I133 HydrophobicContact CB-CG2 4.38Å; L81-I133 HydrophobicContact CD2-CG2 3.96Å; L81-I133 CarbonylContact O-C 3.56Å; L81-I133 VanDerWaalsContact O-CA 3.3Å; L81-I133 WeakPolarHBondContact O-CA 3.46Å; I133-K136 PolarHBondContact O-N 2.82Å; I133-R244 HydrophobicContact CG1-CG 4.3Å; I133-K247 HydrophobicContact CD1-CB 3.31Å; I133-K247 HydrophobicContact CD1-CD 3.89Å; I133-K247 HydrophobicContact CD1-CG 4.24Å
134T92.9Very high95Very high69 Ų6935.7 Ų35.742%0.42320%0.198SC..THydrogen-bonded Turntrans-49.4144.8176-168.70000112.2L81 K136L81-T134 PolarHBondContact O-N 3.24Å; T134-K136 VanDerWaalsContact C-N 3.27Å; T134-K136 PolarHBondContact O-N 3.14Å
135G88.1Confident94.8Very high77 Ų7735.8 Ų35.879%0.79420%0.198SC*.THydrogen-bonded Turntrans79-4.7-174.400000115.6
136K87.5Confident94.7Very high136 Ų13643 Ų4359%0.59122%0.223SC*.  trans-116.387.1176.4-62.9-175.1-179.8-179.10111.8I133 T134 V138I133-K136 PolarHBondContact O-N 2.82Å; T134-K136 VanDerWaalsContact C-N 3.27Å; T134-K136 PolarHBondContact O-N 3.14Å; K136-V138 PolarHBondContact O-N 3.27Å; K136-V138 VanDerWaalsContact O-N 3.09Å
137S91.1Very high94.4Very high33 Ų3341.9 Ų41.923%0.23122%0.217CC..  trans-84.353.4175.1-55.40000112.3S87 M189 T191S87-S137 PolarHBondContact OG-OG 2.9Å; S87-S137 VanDerWaalsContact OG-OG 3.13Å; S137-M189 VanDerWaalsContact CB-O 3.29Å; S137-M189 WeakPolarHBondContact CB-O 3.33Å; S137-T191 PolarHBondContact O-N 3.18Å
138V94.8Very high94.2Very high51 Ų5141.6 Ų41.631%0.30922%0.217SC..EExtended strand (participates in β ladder)trans-125.8127.2-177-172.90000110.6L132 K136 T191 R193L132-V138 WeakPolarHBondContact CD2-O 3.38Å; K136-V138 PolarHBondContact O-N 3.27Å; K136-V138 VanDerWaalsContact O-N 3.09Å; V138-T191 VanDerWaalsContact CA-O 3.3Å; V138-T191 WeakPolarHBondContact CA-O 3.35Å; V138-R193 HydrophobicContact CG1-CG 3.71Å
139A97.1Very high94Very high0 Ų038.8 Ų38.80%020%0.204CC..EExtended strand (participates in β ladder)trans-117.4158173.300000110.6L91 V95 F127 T191 V192 R193L91-A139 HydrophobicContact CD1-CB 3.69Å; L91-A139 HydrophobicContact CD2-CB 4.05Å; L91-A139 HydrophobicContact CG-CB 3.92Å; V95-A139 HydrophobicContact CG2-CB 3.33Å; F127-A139 HydrophobicContact CB-CB 3.64Å; F127-A139 HydrophobicContact CD1-CB 4.15Å; F127-A139 HydrophobicContact CD2-CB 4.16Å; F127-A139 HydrophobicContact CG-CB 3.72Å; A139-T191 PolarHBondContact N-O 2.81Å; A139-V192 CarbonylContact O-C 3.59Å; A139-V192 WeakPolarHBondContact O-CA 3.47Å; A139-R193 PolarHBondContact O-N 2.83Å
140D97.7Very high93.8Very high17 Ų1739.9 Ų39.99%0.09121%0.213CC..EExtended strand (participates in β ladder)trans-118134.9-179.4-58.5-34.1000109.3V124 R193V124-D140 HydrophobicContact CG2-CB 3.64Å; V124-D140 PolarHBondContact N-O 3.25Å; D140-R193 CarbonylContact C-O 3.49Å; D140-R193 VanDerWaalsContact CA-O 3.32Å; D140-R193 WeakPolarHBondContact CA-O 3.39Å; D140-R193 IonicContact OD1-CZ 3.23Å; D140-R193 IonicContact OD1-NE 3.05Å; D140-R193 PolarHBondContact OD1-NE 3.08Å; D140-R193 IonicContact OD1-NH2 3.35Å; D140-R193 PolarHBondContact OD1-NH2 3.21Å; D140-R193 IonicContact OD2-CZ 2.72Å; D140-R193 IonicContact OD2-NH2 3.12Å; D140-R193 PolarHBondContact OD2-NH2 3.29Å
141V98.2Very high93.4Very high0 Ų035.3 Ų35.30%021%0.211CC..EExtended strand (participates in β ladder)trans-125.7125.1173175.10000107.7V95 V99 I102 V121 K122 V192 R193 V194 I195V95-V141 HydrophobicContact CG1-CG2 4.04Å; V99-V141 HydrophobicContact CG2-CG1 4.07Å; V99-V141 HydrophobicContact CG2-CG2 4.18Å; I102-V141 HydrophobicContact CD1-CG1 4.41Å; V121-V141 HydrophobicContact CG2-CG1 3.49Å; V121-V141 VanDerWaalsContact CG2-CG1 3.49Å; K122-V141 CarbonylContact O-C 3.58Å; V141-V192 HydrophobicContact CB-CG1 4.23Å; V141-V192 HydrophobicContact CG2-CG1 3.68Å; V141-R193 PolarHBondContact N-O 3.02Å; V141-V194 CarbonylContact O-C 3.56Å; V141-V194 WeakPolarHBondContact O-CA 3.16Å; V141-I195 PolarHBondContact O-N 2.87Å
142A97.7Very high93Very high1 Ų143.2 Ų43.21%0.00825%0.248CC..EExtended strand (participates in β ladder)trans-93.7131.2176.700000110.8V121 K122 V124 I195 I224V121-A142 CarbonylContact C-O 3.57Å; V121-A142 VanDerWaalsContact CA-O 3.3Å; V121-A142 WeakPolarHBondContact CA-O 3.32Å; K122-A142 PolarHBondContact N-O 3.43Å; K122-A142 PolarHBondContact O-N 2.96Å; V124-A142 HydrophobicContact CG1-CB 3.96Å; V124-A142 HydrophobicContact CG2-CB 4.08Å; A142-I195 WeakPolarHBondContact CA-O 3.36Å; A142-I195 HydrophobicContact CB-CD1 3.92Å; A142-I195 HydrophobicContact CB-CG1 3.6Å; A142-I224 HydrophobicContact CB-CD1 3.76Å; A142-I224 HydrophobicContact CB-CG1 3.58Å
143V97Very high92.8Very high0 Ų043 Ų430%025%0.249CC..EExtended strand (participates in β ladder)trans-116.5124.8173.2-178.80000108.1I102 I118 V121 F145 V194 I195 C197I102-V143 HydrophobicContact CD1-CG2 3.71Å; I102-V143 HydrophobicContact CG2-CG1 4.48Å; I102-V143 HydrophobicContact CG2-CG2 4.17Å; I118-V143 HydrophobicContact CD1-CG1 4.39Å; I118-V143 HydrophobicContact CG1-CG1 4.36Å; I118-V143 HydrophobicContact CG2-CG1 3.86Å; V121-V143 HydrophobicContact CG2-CG2 4.07Å; V143-F145 HydrophobicContact CG1-CD2 4.46Å; V143-F145 HydrophobicContact CG1-CE1 4.26Å; V143-F145 HydrophobicContact CG1-CE2 4.01Å; V143-F145 HydrophobicContact CG1-CZ 3.9Å; V143-V194 HydrophobicContact CB-CG1 4.33Å; V143-V194 HydrophobicContact CG2-CG1 3.48Å; V143-V194 VanDerWaalsContact CG2-CG1 3.48Å; V143-I195 PolarHBondContact N-O 3.33Å; V143-C197 PolarHBondContact O-N 3.32Å
144V95.8Very high92.8Very high14 Ų1442.3 Ų42.39%0.08525%0.245CC..EExtended strand (participates in β ladder)trans-104.3116.3177.2-175.10000108.3A119 T120 C197 L199 I224A119-V144 WeakPolarHBondContact CA-O 3.22Å; A119-V144 HydrophobicContact CB-CB 4.35Å; A119-V144 HydrophobicContact CB-CG1 4.19Å; A119-V144 WeakPolarHBondContact CB-O 3.48Å; A119-V144 PolarHBondContact N-O 2.86Å; T120-V144 HydrophobicContact CG2-CB 3.67Å; T120-V144 HydrophobicContact CG2-CG2 3.52Å; T120-V144 PolarHBondContact N-O 3.39Å; T120-V144 PolarHBondContact O-N 3.13Å; V144-C197 HydrophobicContact CB-CB 4.38Å; V144-C197 HydrophobicContact CG1-CB 4.5Å; V144-C197 HydrophobicContact CG2-CB 3.93Å; V144-L199 HydrophobicContact CG1-CD2 4Å; V144-I224 HydrophobicContact CG2-CD1 3.6Å
145F94.3Very high92.7Very high1 Ų140.9 Ų40.90%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-85.1146.9172.6-66.3-77.2000111.4L116 A117 I118 V143 P149 F157 V196 C197 T198 L199L116-F145 HydrophobicContact CB-CD1 4.42Å; L116-F145 HydrophobicContact CB-CE1 4.21Å; L116-F145 HydrophobicContact CD2-CD1 3.97Å; L116-F145 HydrophobicContact CD2-CE1 3.46Å; L116-F145 VanDerWaalsContact CD2-CE1 3.46Å; L116-F145 HydrophobicContact CD2-CE2 4.43Å; L116-F145 HydrophobicContact CD2-CZ 3.72Å; L116-F145 HydrophobicContact CG-CE1 4.45Å; L116-F145 WeakPolarHBondContact O-CD1 3.46Å; L116-F145 WeakPolarHBondContact O-CE1 3.42Å; A117-F145 CarbonylContact O-C 3.42Å; A117-F145 WeakPolarHBondContact O-CA 3.35Å; I118-F145 HydrophobicContact CD1-CE1 4.45Å; I118-F145 HydrophobicContact CG1-CD1 4.02Å; I118-F145 HydrophobicContact CG1-CE1 3.77Å; V143-F145 HydrophobicContact CG1-CD2 4.46Å; V143-F145 HydrophobicContact CG1-CE1 4.26Å; V143-F145 HydrophobicContact CG1-CE2 4.01Å; V143-F145 HydrophobicContact CG1-CZ 3.9Å; F145-P149 HydrophobicContact CD2-CB 3.97Å; F145-P149 HydrophobicContact CD2-CG 4.47Å; F145-P149 HydrophobicContact CE2-CB 4.43Å; F145-F157 HydrophobicContact CE1-CD1 4.5Å; F145-F157 HydrophobicContact CE1-CE1 4.36Å; F145-F157 AromaticContact CZ-CD1 3.83Å; F145-F157 HydrophobicContact CZ-CD1 3.83Å; F145-F157 AromaticContact CZ-CE1 3.84Å; F145-F157 HydrophobicContact CZ-CE1 3.84Å; F145-F157 HydrophobicContact CZ-CG 4.46Å; F145-V196 HydrophobicContact CD2-CG1 3.76Å; F145-V196 HydrophobicContact CE2-CB 4.49Å; F145-V196 HydrophobicContact CE2-CG1 3.69Å; F145-V196 HydrophobicContact CE2-CG2 4.18Å; F145-C197 PolarHBondContact N-O 2.97Å; F145-T198 WeakPolarHBondContact O-CA 3.41Å; F145-T198 PolarHBondContact O-OG1 3.2Å; F145-L199 PolarHBondContact O-N 2.98Å
146R92.2Very high92.9Very high159 Ų15940.4 Ų40.460%0.622%0.222SC*.SBendtrans-74.6-32.8170.2-64.1-176.2-176.5-169.51.3111.3A117 A119 L199 N202A117-R146 HydrophobicContact CB-CB 4.22Å; A117-R146 HydrophobicContact CB-CG 4.45Å; A117-R146 WeakPolarHBondContact O-CB 3.43Å; A117-R146 PolarHBondContact O-N 3.24Å; A119-R146 HydrophobicContact CB-CG 3.75Å; R146-L199 HydrophobicContact CB-CD1 4.39Å; R146-L199 HydrophobicContact CG-CD1 4.46Å; R146-N202 PolarHBondContact O-ND2 3.09Å
147G90.5Very high93.2Very high11 Ų1134.5 Ų34.511%0.11320%0.197CC..SBendtrans-89.9-170.5174.400000113.8D115 T198 N202D115-G147 WeakPolarHBondContact O-CA 3.45Å; G147-T198 PolarHBondContact O-OG1 3.11Å; G147-N202 PolarHBondContact O-ND2 3.14Å
148L91.4Very high93.3Very high26 Ų2633 Ų3314%0.13619%0.186CC..  trans-96.5114.9177.9-72.3166.7000109.7S150 N202 K205 V206 H211L148-S150 PolarHBondContact O-N 3.13Å; L148-N202 HydrophobicContact CD2-CB 3.76Å; L148-N202 HydrophobicContact CG-CB 4.4Å; L148-K205 HydrophobicContact CD1-CB 3.88Å; L148-K205 WeakPolarHBondContact CD1-O 3.39Å; L148-V206 HydrophobicContact CD2-CB 4.5Å; L148-V206 HydrophobicContact CD2-CG2 3.68Å; L148-H211 VanDerWaalsContact CB-CD2 3.45Å; L148-H211 WeakPolarHBondContact CB-CD2 3.48Å; L148-H211 WeakPolarHBondContact CB-NE2 3.32Å
149P91.2Very high93.3Very high1 Ų134.2 Ų34.21%0.00619%0.191CC..  trans-78.3115.8-173.131.6-35.5000111.2F145 I154 V196 M212 L217F145-P149 HydrophobicContact CD2-CB 3.97Å; F145-P149 HydrophobicContact CD2-CG 4.47Å; F145-P149 HydrophobicContact CE2-CB 4.43Å; P149-I154 HydrophobicContact CB-CD1 3.98Å; P149-I154 HydrophobicContact CB-CG1 4.01Å; P149-V196 HydrophobicContact CB-CG1 3.65Å; P149-V196 HydrophobicContact CG-CG1 3.63Å; P149-M212 PolarHBondContact O-N 2.98Å; P149-M212 VanDerWaalsContact O-N 3.16Å; P149-L217 HydrophobicContact CG-CD2 3.89Å
150S91.1Very high93.1Very high34 Ų3436.6 Ų36.624%0.23821%0.207CC..BIsolated β-bridgetrans-82.5155.1171.675.40000111.9L148 E152 A153 I154 Y210L148-S150 PolarHBondContact O-N 3.13Å; S150-E152 VanDerWaalsContact C-N 3.29Å; S150-E152 PolarHBondContact O-N 2.9Å; S150-A153 PolarHBondContact O-N 3.01Å; S150-A153 WeakPolarHBondContact OG-CB 3.43Å; S150-A153 PolarHBondContact OG-N 3.09Å; S150-I154 WeakPolarHBondContact O-CD1 3.2Å; S150-I154 WeakPolarHBondContact O-CG1 3.19Å; S150-I154 PolarHBondContact O-N 2.89Å; S150-Y210 VanDerWaalsContact CA-O 3.24Å; S150-Y210 WeakPolarHBondContact CA-O 3.43Å; S150-Y210 WeakPolarHBondContact CB-O 3.42Å
151A87.2Confident93Very high72 Ų7235.8 Ų35.860%0.59520%0.203SC*.Hα-helixtrans-60.8-38.7-17900000112.6S155A151-S155 PolarHBondContact O-N 2.75Å; A151-S155 VanDerWaalsContact O-N 3.1Å
152E88.9Confident92.8Very high166 Ų16636 Ų3678%0.77621%0.205SC*.Hα-helixtrans-67.5-44.9177.5-64.2-178.1176.100111.6S150 I154 S155 S156S150-E152 VanDerWaalsContact C-N 3.29Å; S150-E152 PolarHBondContact O-N 2.9Å; E152-I154 VanDerWaalsContact C-N 3.34Å; E152-I154 PolarHBondContact O-N 3.03Å; E152-S155 PolarHBondContact O-N 2.82Å; E152-S156 WeakPolarHBondContact O-CB 3.33Å; E152-S156 PolarHBondContact O-N 2.81Å
153A90.5Very high92.6Very high14 Ų1439 Ų3912%0.11623%0.226CC..Hα-helixtrans-61.5-42.3177.400000111.5L116 S150 F157L116-A153 HydrophobicContact CD1-CB 3.91Å; L116-A153 HydrophobicContact CD2-CB 3.92Å; L116-A153 HydrophobicContact CG-CB 3.99Å; S150-A153 PolarHBondContact O-N 3.01Å; S150-A153 WeakPolarHBondContact OG-CB 3.43Å; S150-A153 PolarHBondContact OG-N 3.09Å; A153-F157 WeakPolarHBondContact O-CB 3.39Å; A153-F157 PolarHBondContact O-N 2.89Å
154I92.5Very high92.4Very high6 Ų641.6 Ų41.63%0.03124%0.237CC..Hα-helixtrans-61.9-45.4175.9-66.7163.7000111.3P149 S150 E152 F157 G158 F183 V196 M212P149-I154 HydrophobicContact CB-CD1 3.98Å; P149-I154 HydrophobicContact CB-CG1 4.01Å; S150-I154 WeakPolarHBondContact O-CD1 3.2Å; S150-I154 WeakPolarHBondContact O-CG1 3.19Å; S150-I154 PolarHBondContact O-N 2.89Å; E152-I154 VanDerWaalsContact C-N 3.34Å; E152-I154 PolarHBondContact O-N 3.03Å; I154-F157 PolarHBondContact O-N 3.3Å; I154-G158 PolarHBondContact O-N 2.97Å; I154-F183 HydrophobicContact CG2-CD1 3.7Å; I154-F183 HydrophobicContact CG2-CE1 4.41Å; I154-V196 HydrophobicContact CD1-CB 4.37Å; I154-V196 HydrophobicContact CD1-CG1 3.98Å; I154-V196 HydrophobicContact CD1-CG2 4.33Å; I154-V196 HydrophobicContact CG1-CG1 4.19Å; I154-V196 HydrophobicContact CG1-CG2 4.18Å; I154-V196 HydrophobicContact CG2-CG2 4.02Å; I154-M212 HydrophobicContact CD1-CE 3.48Å; I154-M212 VanDerWaalsContact CD1-CE 3.48Å
155S92.2Very high92.3Very high39 Ų3940.9 Ų40.927%0.27323%0.233SC..Hα-helixtrans-63.6-47.4179.8-175.80000111.8A151 E152 F157 G158 N159 T178A151-S155 PolarHBondContact O-N 2.75Å; A151-S155 VanDerWaalsContact O-N 3.1Å; E152-S155 PolarHBondContact O-N 2.82Å; S155-F157 PolarHBondContact O-N 3.4Å; S155-G158 PolarHBondContact O-N 2.72Å; S155-N159 PolarHBondContact O-N 3.18Å; S155-N159 VanDerWaalsContact O-N 3.09Å; S155-N159 PolarHBondContact O-ND2 2.68Å; S155-T178 WeakPolarHBondContact OG-CG2 3.24Å
156S92.1Very high92.2Very high67 Ų6744.5 Ų44.547%0.46925%0.25SS..Hα-helixtrans-59.1-48.1176.1-1760000111.2E152 G158 N159 C160E152-S156 WeakPolarHBondContact O-CB 3.33Å; E152-S156 PolarHBondContact O-N 2.81Å; S156-G158 VanDerWaalsContact C-N 3.35Å; S156-G158 PolarHBondContact O-N 3.07Å; S156-N159 PolarHBondContact O-N 3.35Å; S156-C160 PolarHBondContact O-N 2.86Å; S156-C160 PolarHBondContact O-SG 3.27Å
157F93.1Very high92.2Very high13 Ų1344.2 Ų44.26%0.05726%0.256CS..Hα-helixtrans-59.8-42.3177.9-176.6-115.1000112.6I102 Y105 L116 I118 F145 A153 I154 S155 C160 I161 F183I102-F157 HydrophobicContact CG1-CZ 4.42Å; Y105-F157 HydrophobicContact CD2-CE2 4.07Å; Y105-F157 HydrophobicContact CE2-CE2 4.44Å; Y105-F157 HydrophobicContact CG-CE2 4.11Å; L116-F157 HydrophobicContact CD1-CB 4.44Å; I118-F157 HydrophobicContact CD1-CE1 4.36Å; I118-F157 HydrophobicContact CD1-CE2 3.95Å; I118-F157 HydrophobicContact CD1-CZ 3.45Å; I118-F157 VanDerWaalsContact CD1-CZ 3.45Å; I118-F157 HydrophobicContact CG1-CZ 4.49Å; F145-F157 HydrophobicContact CE1-CD1 4.5Å; F145-F157 HydrophobicContact CE1-CE1 4.36Å; F145-F157 AromaticContact CZ-CD1 3.83Å; F145-F157 HydrophobicContact CZ-CD1 3.83Å; F145-F157 AromaticContact CZ-CE1 3.84Å; F145-F157 HydrophobicContact CZ-CE1 3.84Å; F145-F157 HydrophobicContact CZ-CG 4.46Å; A153-F157 WeakPolarHBondContact O-CB 3.39Å; A153-F157 PolarHBondContact O-N 2.89Å; I154-F157 PolarHBondContact O-N 3.3Å; S155-F157 PolarHBondContact O-N 3.4Å; F157-C160 WeakPolarHBondContact O-CB 3.32Å; F157-C160 PolarHBondContact O-N 3.18Å; F157-I161 HydrophobicContact CD1-CD1 3.74Å; F157-I161 HydrophobicContact CE1-CD1 3.33Å; F157-I161 HydrophobicContact CE1-CG1 4.39Å; F157-I161 HydrophobicContact CE2-CD1 4.19Å; F157-I161 HydrophobicContact CE2-CG1 4.44Å; F157-I161 HydrophobicContact CG-CD1 4.33Å; F157-I161 HydrophobicContact CZ-CD1 3.57Å; F157-I161 HydrophobicContact CZ-CG1 4.23Å; F157-I161 WeakPolarHBondContact O-CG1 3.49Å; F157-I161 PolarHBondContact O-N 3.04Å; F157-F183 AromaticContact CD1-CE1 3.92Å; F157-F183 HydrophobicContact CD1-CE1 3.92Å; F157-F183 AromaticContact CD1-CZ 3.96Å; F157-F183 HydrophobicContact CD1-CZ 3.96Å; F157-F183 HydrophobicContact CE1-CE1 4.42Å; F157-F183 HydrophobicContact CE1-CZ 4.18Å
158G94.8Very high92Very high0 Ų050 Ų500%028%0.278CS..Hα-helixtrans-62.7-41.5176.200000113.6I154 S155 S156 I161 A162 C176I154-G158 PolarHBondContact O-N 2.97Å; S155-G158 PolarHBondContact O-N 2.72Å; S156-G158 VanDerWaalsContact C-N 3.35Å; S156-G158 PolarHBondContact O-N 3.07Å; G158-I161 PolarHBondContact O-N 2.98Å; G158-A162 PolarHBondContact O-N 3.13Å; G158-C176 VanDerWaalsContact CA-SG 3.55Å
159N94.5Very high91.7Very high77 Ų7750.2 Ų50.241%0.41228%0.28SS..Hα-helixtrans-66.1-39175.9-69.7-34.2000112.1S155 S156 A162 S163 C176S155-N159 PolarHBondContact O-N 3.18Å; S155-N159 VanDerWaalsContact O-N 3.09Å; S155-N159 PolarHBondContact O-ND2 2.68Å; S156-N159 PolarHBondContact O-N 3.35Å; N159-A162 PolarHBondContact O-N 3.45Å; N159-S163 WeakPolarHBondContact O-CB 3.39Å; N159-S163 PolarHBondContact O-N 3.17Å; N159-S163 PolarHBondContact O-OG 3.24Å; N159-C176 WeakPolarHBondContact OD1-CB 3.3Å
160C93.2Very high91.2Very high50 Ų5055 Ų5534%0.33831%0.313SS..Hα-helixtrans-61.8-42.1173.7-73.70000111.9Y105 S156 F157 S163 K164Y105-C160 WeakPolarHBondContact OH-CB 3.16Å; S156-C160 PolarHBondContact O-N 2.86Å; S156-C160 PolarHBondContact O-SG 3.27Å; F157-C160 WeakPolarHBondContact O-CB 3.32Å; F157-C160 PolarHBondContact O-N 3.18Å; C160-S163 PolarHBondContact O-N 3.18Å; C160-K164 PolarHBondContact O-N 2.65Å
161I93.8Very high90.6Very high0 Ų062.3 Ų62.30%034%0.341CS..Hα-helixtrans-62.6-48.3174.5-71.7163.5000111.1V101 I102 Y105 F157 G158 S163 K164 I165 F183 I185V101-I161 HydrophobicContact CG1-CB 4.42Å; V101-I161 HydrophobicContact CG1-CG1 4.19Å; V101-I161 HydrophobicContact CG1-CG2 4.22Å; I102-I161 HydrophobicContact CD1-CD1 4.21Å; I102-I161 HydrophobicContact CG1-CD1 3.77Å; I102-I161 HydrophobicContact CG1-CG1 4.37Å; Y105-I161 HydrophobicContact CE2-CG1 4.3Å; F157-I161 HydrophobicContact CD1-CD1 3.74Å; F157-I161 HydrophobicContact CE1-CD1 3.33Å; F157-I161 HydrophobicContact CE1-CG1 4.39Å; F157-I161 HydrophobicContact CE2-CD1 4.19Å; F157-I161 HydrophobicContact CE2-CG1 4.44Å; F157-I161 HydrophobicContact CG-CD1 4.33Å; F157-I161 HydrophobicContact CZ-CD1 3.57Å; F157-I161 HydrophobicContact CZ-CG1 4.23Å; F157-I161 WeakPolarHBondContact O-CG1 3.49Å; F157-I161 PolarHBondContact O-N 3.04Å; G158-I161 PolarHBondContact O-N 2.98Å; I161-S163 VanDerWaalsContact C-N 3.29Å; I161-S163 PolarHBondContact O-N 3.39Å; I161-K164 PolarHBondContact O-N 3.14Å; I161-I165 HydrophobicContact CG2-CD1 3.71Å; I161-I165 HydrophobicContact CG2-CG1 4.33Å; I161-I165 VanDerWaalsContact O-CG1 3.28Å; I161-I165 WeakPolarHBondContact O-CG1 3.44Å; I161-I165 PolarHBondContact O-N 3.22Å; I161-F183 HydrophobicContact CD1-CE2 3.83Å; I161-F183 HydrophobicContact CD1-CZ 3.49Å; I161-F183 VanDerWaalsContact CD1-CZ 3.49Å; I161-I185 HydrophobicContact CB-CD1 4.47Å; I161-I185 HydrophobicContact CG2-CD1 4.03Å; I161-I185 HydrophobicContact CG2-CG1 4.27Å
162A94.5Very high90.4Very high6 Ų661.8 Ų61.85%0.0533%0.325CS..Hα-helixtrans-58.7-4317900000111.7G158 N159 I165 M166 V174 C176 I185G158-A162 PolarHBondContact O-N 3.13Å; N159-A162 PolarHBondContact O-N 3.45Å; A162-I165 PolarHBondContact O-N 3.29Å; A162-M166 WeakPolarHBondContact O-CG 3.47Å; A162-M166 PolarHBondContact O-N 3.33Å; A162-M166 VanDerWaalsContact O-N 3.14Å; A162-V174 HydrophobicContact CB-CG2 4.35Å; A162-C176 HydrophobicContact CB-CB 4.03Å; A162-I185 HydrophobicContact CB-CD1 4.25Å
163S93.5Very high90.3Very high63 Ų6359.8 Ų59.844%0.44132%0.32SS..Hα-helixtrans-63.1-48.1177.6-54.30000111.7N159 C160 I161 I165 M166 E167N159-S163 WeakPolarHBondContact O-CB 3.39Å; N159-S163 PolarHBondContact O-N 3.17Å; N159-S163 PolarHBondContact O-OG 3.24Å; C160-S163 PolarHBondContact O-N 3.18Å; I161-S163 VanDerWaalsContact C-N 3.29Å; I161-S163 PolarHBondContact O-N 3.39Å; S163-I165 VanDerWaalsContact C-N 3.3Å; S163-I165 PolarHBondContact O-N 3.41Å; S163-M166 PolarHBondContact O-N 3.02Å; S163-M166 VanDerWaalsContact O-N 3.17Å; S163-E167 WeakPolarHBondContact O-CG 3.42Å; S163-E167 PolarHBondContact O-N 2.86Å
164K93.2Very high90.5Very high54 Ų5459.1 Ų59.124%0.23531%0.314CS..Hα-helixtrans-61.7-35.8176.2-79.4-164.9178.3174.10112.7V101 Y105 C160 I161 E167 F168V101-K164 HydrophobicContact CG1-CB 3.8Å; V101-K164 HydrophobicContact CG1-CD 4.09Å; V101-K164 HydrophobicContact CG2-CB 4.41Å; Y105-K164 HydrophobicContact CE2-CD 3.58Å; Y105-K164 VanDerWaalsContact OH-CD 3.29Å; Y105-K164 WeakPolarHBondContact OH-CD 3.23Å; Y105-K164 WeakPolarHBondContact OH-CE 3.48Å; Y105-K164 PolarHBondContact OH-NZ 3.09Å; C160-K164 PolarHBondContact O-N 2.65Å; I161-K164 PolarHBondContact O-N 3.14Å; K164-E167 WeakPolarHBondContact O-CB 3.45Å; K164-E167 PolarHBondContact O-N 3.48Å; K164-F168 WeakPolarHBondContact O-CD2 3.41Å; K164-F168 PolarHBondContact O-N 2.99Å
165I93.6Very high90.6Very high0 Ų062.1 Ų62.10%033%0.333CS..Hα-helixtrans-62.2-44.6175.7-70.9169000110.6L97 V98 V101 I161 A162 S163 E167 F168 D169 V174 I185L97-I165 HydrophobicContact CD1-CG2 4.29Å; V98-I165 HydrophobicContact CG2-CD1 3.7Å; V101-I165 HydrophobicContact CG2-CG1 3.9Å; I161-I165 HydrophobicContact CG2-CD1 3.71Å; I161-I165 HydrophobicContact CG2-CG1 4.33Å; I161-I165 VanDerWaalsContact O-CG1 3.28Å; I161-I165 WeakPolarHBondContact O-CG1 3.44Å; I161-I165 PolarHBondContact O-N 3.22Å; A162-I165 PolarHBondContact O-N 3.29Å; S163-I165 VanDerWaalsContact C-N 3.3Å; S163-I165 PolarHBondContact O-N 3.41Å; I165-E167 VanDerWaalsContact C-N 3.28Å; I165-E167 PolarHBondContact O-N 3.43Å; I165-F168 PolarHBondContact O-N 3.2Å; I165-D169 PolarHBondContact O-N 3.41Å; I165-V174 HydrophobicContact CB-CG2 4Å; I165-V174 HydrophobicContact CG2-CG1 4.25Å; I165-V174 HydrophobicContact CG2-CG2 3.73Å; I165-I185 HydrophobicContact CD1-CG2 4Å
166M92.5Very high90.7Very high76 Ų7661.4 Ų61.437%0.37433%0.328SS..Hα-helixtrans-65-31.3176-65.6-175.3-166.900112.9A162 S163 D169 S170 V174A162-M166 WeakPolarHBondContact O-CG 3.47Å; A162-M166 PolarHBondContact O-N 3.33Å; A162-M166 VanDerWaalsContact O-N 3.14Å; S163-M166 PolarHBondContact O-N 3.02Å; S163-M166 VanDerWaalsContact O-N 3.17Å; M166-D169 CarbonylContact O-C 3.04Å; M166-S170 WeakPolarHBondContact O-CA 3.42Å; M166-S170 PolarHBondContact O-N 3.43Å; M166-V174 HydrophobicContact CE-CG2 4.17Å; M166-V174 WeakPolarHBondContact CE-O 3.37Å; M166-V174 HydrophobicContact CG-CG2 3.95Å
167E91.2Very high90.9Very high153 Ų15362.9 Ų62.972%0.71533%0.327SS*.Hα-helixtrans-68.1-39.2173.2-70.6173-172.900112S163 K164 I165S163-E167 WeakPolarHBondContact O-CG 3.42Å; S163-E167 PolarHBondContact O-N 2.86Å; K164-E167 WeakPolarHBondContact O-CB 3.45Å; K164-E167 PolarHBondContact O-N 3.48Å; I165-E167 VanDerWaalsContact C-N 3.28Å; I165-E167 PolarHBondContact O-N 3.43Å
168F87.7Confident90.8Very high132 Ų13266.7 Ų66.758%0.57935%0.352SS*.Hα-helixtrans-72.3-39.3177.7-82.6-64.4000113V101 K164 I165V101-F168 HydrophobicContact CG2-CD2 3.77Å; V101-F168 HydrophobicContact CG2-CE2 3.86Å; K164-F168 WeakPolarHBondContact O-CD2 3.41Å; K164-F168 PolarHBondContact O-N 2.99Å; I165-F168 PolarHBondContact O-N 3.2Å
169D84.6Confident90.8Very high32 Ų3268.5 Ų68.517%0.17137%0.366CS..  trans-140.798179.4-167-20.2000110.7Y93 I165 M166 F171 F172Y93-D169 PolarHBondContact OH-OD2 3.5Å; I165-D169 PolarHBondContact O-N 3.41Å; M166-D169 CarbonylContact O-C 3.04Å; D169-F171 PolarHBondContact O-N 3.25Å; D169-F171 WeakPolarHBondContact OD1-CB 3.5Å; D169-F171 WeakPolarHBondContact OD1-CD2 3.23Å; D169-F171 PolarHBondContact OD1-N 3.31Å; D169-F172 HydrophobicContact CB-CD2 4.1Å; D169-F172 PolarHBondContact O-N 3.36Å; D169-F172 VanDerWaalsContact OD2-CD2 3.29Å; D169-F172 WeakPolarHBondContact OD2-CD2 3.44Å
170S79.9Confident90.7Very high100 Ų10072.4 Ų72.470%0.69938%0.382SS*.THydrogen-bonded Turntrans-63.4-12.6-179.859.60000114.1M166M166-S170 WeakPolarHBondContact O-CA 3.42Å; M166-S170 PolarHBondContact O-N 3.43Å
171F79.8Confident90.7Very high189 Ų18976 Ų7683%0.82939%0.389SS*.THydrogen-bonded Turntrans-83.5-14.3175.8-64.2-79.7000112.7D169D169-F171 PolarHBondContact O-N 3.25Å; D169-F171 WeakPolarHBondContact OD1-CB 3.5Å; D169-F171 WeakPolarHBondContact OD1-CD2 3.23Å; D169-F171 PolarHBondContact OD1-N 3.31Å
172F81.6Confident90.8Very high60 Ų6076.1 Ų76.126%0.26339%0.39SS..  trans-92.5100.7177.4-87.1-94000111.2Y93 D169 V174Y93-F172 HydrophobicContact CD1-CE1 4.12Å; Y93-F172 AromaticContact CD1-CE2 3.63Å; Y93-F172 HydrophobicContact CD1-CE2 3.63Å; Y93-F172 AromaticContact CD1-CZ 3.34Å; Y93-F172 HydrophobicContact CD1-CZ 3.34Å; Y93-F172 AromaticContact CE1-CD2 3.94Å; Y93-F172 HydrophobicContact CE1-CD2 3.94Å; Y93-F172 HydrophobicContact CE1-CE1 4.39Å; Y93-F172 AromaticContact CE1-CE2 3.22Å; Y93-F172 HydrophobicContact CE1-CE2 3.22Å; Y93-F172 AromaticContact CE1-CZ 3.5Å; Y93-F172 HydrophobicContact CE1-CZ 3.5Å; Y93-F172 VanDerWaalsContact CE1-CZ 3.5Å; D169-F172 HydrophobicContact CB-CD2 4.1Å; D169-F172 PolarHBondContact O-N 3.36Å; D169-F172 VanDerWaalsContact OD2-CD2 3.29Å; D169-F172 WeakPolarHBondContact OD2-CD2 3.44Å; F172-V174 HydrophobicContact CB-CG1 4.3Å; F172-V174 PolarHBondContact O-N 3.39Å
173D88.6Confident90.9Very high124 Ų12475.9 Ų75.966%0.66339%0.388SS*.  trans-77.3106.9164.9-171.116.9000109.3
174V93.2Very high91.1Very high1 Ų174.5 Ų74.51%0.00638%0.375CS..EExtended strand (participates in β ladder)trans-124.2136.8-178-68.30000111.4L94 A162 I165 M166 F172 I185 V186L94-V174 HydrophobicContact CD1-CG1 4.11Å; A162-V174 HydrophobicContact CB-CG2 4.35Å; I165-V174 HydrophobicContact CB-CG2 4Å; I165-V174 HydrophobicContact CG2-CG1 4.25Å; I165-V174 HydrophobicContact CG2-CG2 3.73Å; M166-V174 HydrophobicContact CE-CG2 4.17Å; M166-V174 WeakPolarHBondContact CE-O 3.37Å; M166-V174 HydrophobicContact CG-CG2 3.95Å; F172-V174 HydrophobicContact CB-CG1 4.3Å; F172-V174 PolarHBondContact O-N 3.39Å; V174-I185 HydrophobicContact CB-CG2 4.07Å; V174-I185 HydrophobicContact CG1-CG2 4.27Å; V174-V186 CarbonylContact C-O 3.48Å; V174-V186 WeakPolarHBondContact CA-O 3.48Å
175T94.4Very high91.2Very high68 Ų6871.9 Ų71.942%0.41736%0.364SS..EExtended strand (participates in β ladder)trans-115.7146.217557.40000110.5V186T175-V186 PolarHBondContact N-O 3.31Å; T175-V186 PolarHBondContact O-N 3.45Å
176C95.5Very high91.3Very high25 Ų2573.5 Ų73.517%0.16937%0.374CS..EExtended strand (participates in β ladder)trans-93.2130.5170178.10000109.5G158 N159 A162 N184 I185G158-C176 VanDerWaalsContact CA-SG 3.55Å; N159-C176 WeakPolarHBondContact OD1-CB 3.3Å; A162-C176 HydrophobicContact CB-CB 4.03Å; C176-N184 CarbonylContact C-O 3.59Å; C176-N184 WeakPolarHBondContact CA-O 3.29Å; C176-I185 HydrophobicContact CB-CD1 4.28Å
177Q95.1Very high91.2Very high98 Ų9870.4 Ų70.446%0.45836%0.362SS..EExtended strand (participates in β ladder)trans-124.4124.2173-61.5177.84.400109F183 N184 V186Q177-F183 CarbonylContact O-C 3.57Å; Q177-F183 WeakPolarHBondContact O-CA 3.34Å; Q177-N184 HydrophobicContact CB-CB 4.42Å; Q177-N184 PolarHBondContact N-O 3.26Å; Q177-N184 PolarHBondContact O-N 3.14Å; Q177-V186 HydrophobicContact CG-CG2 4.23Å
178T92.7Very high91Very high93 Ų9371 Ų7157%0.57136%0.364SS*.EExtended strand (participates in β ladder)trans-65.9144.8175.850.10000110.9S155S155-T178 WeakPolarHBondContact OG-CG2 3.24Å
179A93.9Very high90.8Very high37 Ų3771 Ų7131%0.30637%0.367SS..EExtended strand (participates in β ladder)trans-140.2158.5-177.600000111R181 G182A179-R181 PolarHBondContact O-N 2.96Å; A179-R181 VanDerWaalsContact O-N 3.13Å; A179-G182 CarbonylContact C-O 3.44Å; A179-G182 PolarHBondContact N-O 3.44Å; A179-G182 CarbonylContact O-C 3.57Å; A179-G182 PolarHBondContact O-N 2.9Å
180E91.8Very high91.2Very high160 Ų16069.9 Ų69.975%0.74836%0.363SS*.THydrogen-bonded Turntrans-55.6-35.4-179.1-173.3-173.2175.800113.1
181R93.8Very high91.9Very high125 Ų12566.7 Ų66.747%0.47234%0.339SS..THydrogen-bonded Turntrans-92.9-0.4-178.5-60.8-173.1179.6-173.1-1.6114.2A179 I195 V196 T216 N220A179-R181 PolarHBondContact O-N 2.96Å; A179-R181 VanDerWaalsContact O-N 3.13Å; R181-I195 HydrophobicContact CB-CG2 4.3Å; R181-I195 WeakPolarHBondContact O-CA 3.47Å; R181-V196 PolarHBondContact O-N 2.92Å; R181-T216 HydrophobicContact CB-CG2 4.37Å; R181-T216 HydrophobicContact CG-CG2 4.09Å; R181-N220 PolarHBondContact O-ND2 2.97Å
182G95.2Very high92.7Very high2 Ų257.7 Ų57.72%0.02130%0.3CS..EExtended strand (participates in β ladder)trans148.3-119.3-17000000111.9A179 V194A179-G182 CarbonylContact C-O 3.44Å; A179-G182 PolarHBondContact N-O 3.44Å; A179-G182 CarbonylContact O-C 3.57Å; A179-G182 PolarHBondContact O-N 2.9Å; G182-V194 WeakPolarHBondContact CA-O 3.41Å
183F96.7Very high93.5Very high1 Ų159.8 Ų59.80%0.00431%0.306CS..EExtended strand (participates in β ladder)trans-150.9162.1177.958.7-84.1000111.2I154 F157 I161 Q177 I185 V194 V196I154-F183 HydrophobicContact CG2-CD1 3.7Å; I154-F183 HydrophobicContact CG2-CE1 4.41Å; F157-F183 AromaticContact CD1-CE1 3.92Å; F157-F183 HydrophobicContact CD1-CE1 3.92Å; F157-F183 AromaticContact CD1-CZ 3.96Å; F157-F183 HydrophobicContact CD1-CZ 3.96Å; F157-F183 HydrophobicContact CE1-CE1 4.42Å; F157-F183 HydrophobicContact CE1-CZ 4.18Å; I161-F183 HydrophobicContact CD1-CE2 3.83Å; I161-F183 HydrophobicContact CD1-CZ 3.49Å; I161-F183 VanDerWaalsContact CD1-CZ 3.49Å; Q177-F183 CarbonylContact O-C 3.57Å; Q177-F183 WeakPolarHBondContact O-CA 3.34Å; F183-I185 HydrophobicContact CD2-CD1 3.94Å; F183-I185 HydrophobicContact CD2-CG1 4.29Å; F183-I185 HydrophobicContact CE2-CD1 3.92Å; F183-I185 HydrophobicContact CE2-CG1 4.13Å; F183-V194 HydrophobicContact CD1-CB 4.22Å; F183-V194 HydrophobicContact CD1-CG1 4.5Å; F183-V194 HydrophobicContact CD2-CB 4Å; F183-V194 HydrophobicContact CD2-CG2 4.13Å; F183-V194 HydrophobicContact CE1-CB 3.83Å; F183-V194 HydrophobicContact CE1-CG1 3.7Å; F183-V194 HydrophobicContact CE2-CB 3.58Å; F183-V194 HydrophobicContact CE2-CG1 4.06Å; F183-V194 HydrophobicContact CE2-CG2 3.52Å; F183-V194 HydrophobicContact CG-CB 4.31Å; F183-V194 HydrophobicContact CZ-CB 3.48Å; F183-V194 VanDerWaalsContact CZ-CB 3.48Å; F183-V194 HydrophobicContact CZ-CG1 3.44Å; F183-V194 VanDerWaalsContact CZ-CG1 3.44Å; F183-V194 HydrophobicContact CZ-CG2 3.8Å; F183-V194 PolarHBondContact N-O 3.03Å; F183-V194 VanDerWaalsContact N-O 3.07Å; F183-V194 WeakPolarHBondContact O-CA 3.3Å; F183-V194 PolarHBondContact O-N 3Å; F183-V196 HydrophobicContact CD1-CG2 4.45Å; F183-V196 HydrophobicContact CE1-CG2 4.36Å
184N97.4Very high94Very high34 Ų3454 Ų5418%0.18228%0.275CS..EExtended strand (participates in β ladder)trans-116.1129.7180-54.7-34.6000109.3C176 Q177 V186 T191 V192 R193C176-N184 CarbonylContact C-O 3.59Å; C176-N184 WeakPolarHBondContact CA-O 3.29Å; Q177-N184 HydrophobicContact CB-CB 4.42Å; Q177-N184 PolarHBondContact N-O 3.26Å; Q177-N184 PolarHBondContact O-N 3.14Å; N184-V186 HydrophobicContact CB-CG2 4.08Å; N184-T191 HydrophobicContact CB-CG2 4.09Å; N184-V192 WeakPolarHBondContact CA-O 3.33Å; N184-R193 WeakPolarHBondContact OD1-CG 3.46Å
185I96.9Very high94.1Very high0 Ų054.4 Ų54.40%028%0.277CS..EExtended strand (participates in β ladder)trans-93.6108.8165.8-56.6-58.4000107.2L94 V98 I161 A162 I165 V174 C176 F183 T191 V192 V194L94-I185 HydrophobicContact CD1-CG2 4.33Å; V98-I185 HydrophobicContact CG2-CB 4.26Å; V98-I185 HydrophobicContact CG2-CG1 4.2Å; V98-I185 HydrophobicContact CG2-CG2 4.23Å; I161-I185 HydrophobicContact CB-CD1 4.47Å; I161-I185 HydrophobicContact CG2-CD1 4.03Å; I161-I185 HydrophobicContact CG2-CG1 4.27Å; A162-I185 HydrophobicContact CB-CD1 4.25Å; I165-I185 HydrophobicContact CD1-CG2 4Å; V174-I185 HydrophobicContact CB-CG2 4.07Å; V174-I185 HydrophobicContact CG1-CG2 4.27Å; C176-I185 HydrophobicContact CB-CD1 4.28Å; F183-I185 HydrophobicContact CD2-CD1 3.94Å; F183-I185 HydrophobicContact CD2-CG1 4.29Å; F183-I185 HydrophobicContact CE2-CD1 3.92Å; F183-I185 HydrophobicContact CE2-CG1 4.13Å; I185-T191 WeakPolarHBondContact O-CA 3.44Å; I185-V192 PolarHBondContact N-O 3.39Å; I185-V192 PolarHBondContact O-N 3.47Å; I185-V194 HydrophobicContact CG1-CG2 4.39Å
186V95Very high94.2Very high33 Ų3351.2 Ų51.220%0.226%0.257CS..EExtended strand (participates in β ladder)trans-105.6109.2-174.3-176.10000108.8V174 T175 Q177 N184 T191V174-V186 CarbonylContact C-O 3.48Å; V174-V186 WeakPolarHBondContact CA-O 3.48Å; T175-V186 PolarHBondContact N-O 3.31Å; T175-V186 PolarHBondContact O-N 3.45Å; Q177-V186 HydrophobicContact CG-CG2 4.23Å; N184-V186 HydrophobicContact CB-CG2 4.08Å; V186-T191 HydrophobicContact CG2-CG2 3.91Å
187G91.3Very high94.2Very high12 Ų1250 Ų5012%0.12425%0.249CC..EExtended strand (participates in β ladder)trans-96178.6167.700000111.9M189 A190G187-M189 VanDerWaalsContact C-N 3.31Å; G187-M189 PolarHBondContact O-N 3.12Å; G187-A190 PolarHBondContact N-O 3.43Å
188H85.9Confident94.2Very high166 Ų16645.4 Ų45.477%0.76923%0.228SC*.SBendtrans-56.8-38.3-176.3-172.3-113.1000114.2
189M84.5Confident94.3Very high130 Ų13043.8 Ų43.864%0.6422%0.215SC*.SBendtrans-124-2.3-172.7-69.1-69.3129.700114.6S137 G187S137-M189 VanDerWaalsContact CB-O 3.29Å; S137-M189 WeakPolarHBondContact CB-O 3.33Å; G187-M189 VanDerWaalsContact C-N 3.31Å; G187-M189 PolarHBondContact O-N 3.12Å
190A92Very high94.2Very high9 Ų946.4 Ų46.47%0.07423%0.229CC..  trans-151.2147.7-172.200000110.9L91 L94 G187L91-A190 HydrophobicContact CB-CB 4.23Å; L91-A190 HydrophobicContact CD1-CB 3.79Å; L94-A190 HydrophobicContact CD2-CB 3.96Å; G187-A190 PolarHBondContact N-O 3.43Å
191T95Very high94.3Very high34 Ų3442.3 Ų42.321%0.20922%0.218CC..EExtended strand (participates in β ladder)trans-125.1131174.2-56.20000109.9S137 V138 A139 N184 I185 V186 R193S137-T191 PolarHBondContact O-N 3.18Å; V138-T191 VanDerWaalsContact CA-O 3.3Å; V138-T191 WeakPolarHBondContact CA-O 3.35Å; A139-T191 PolarHBondContact N-O 2.81Å; N184-T191 HydrophobicContact CB-CG2 4.09Å; I185-T191 WeakPolarHBondContact O-CA 3.44Å; V186-T191 HydrophobicContact CG2-CG2 3.91Å; T191-R193 HydrophobicContact CG2-CG 4.42Å
192V97.4Very high94.3Very high0 Ų037 Ų370%020%0.199CC..EExtended strand (participates in β ladder)trans-107.6116.2170.6177.80000108.3L91 L94 V95 V98 A139 V141 N184 I185 V194L91-V192 HydrophobicContact CD1-CG2 4.47Å; L94-V192 HydrophobicContact CB-CG2 4.2Å; L94-V192 HydrophobicContact CD2-CG2 3.84Å; L94-V192 HydrophobicContact CG-CG2 3.67Å; V95-V192 HydrophobicContact CG2-CG2 3.68Å; V98-V192 HydrophobicContact CB-CG1 4.33Å; V98-V192 HydrophobicContact CG1-CG1 4.12Å; V98-V192 HydrophobicContact CG2-CB 4.23Å; V98-V192 HydrophobicContact CG2-CG1 4.19Å; V98-V192 HydrophobicContact CG2-CG2 4.45Å; A139-V192 CarbonylContact O-C 3.59Å; A139-V192 WeakPolarHBondContact O-CA 3.47Å; V141-V192 HydrophobicContact CB-CG1 4.23Å; V141-V192 HydrophobicContact CG2-CG1 3.68Å; N184-V192 WeakPolarHBondContact CA-O 3.33Å; I185-V192 PolarHBondContact N-O 3.39Å; I185-V192 PolarHBondContact O-N 3.47Å; V192-V194 HydrophobicContact CG1-CG2 4.38Å
193R97.8Very high94.2Very high104 Ų10439.1 Ų39.139%0.39221%0.207SC..EExtended strand (participates in β ladder)trans-88.2114.4174.4-55.3-173.7-63.8-177.40.2108.4V138 A139 D140 V141 N184 T191V138-R193 HydrophobicContact CG1-CG 3.71Å; A139-R193 PolarHBondContact O-N 2.83Å; D140-R193 CarbonylContact C-O 3.49Å; D140-R193 VanDerWaalsContact CA-O 3.32Å; D140-R193 WeakPolarHBondContact CA-O 3.39Å; D140-R193 IonicContact OD1-CZ 3.23Å; D140-R193 IonicContact OD1-NE 3.05Å; D140-R193 PolarHBondContact OD1-NE 3.08Å; D140-R193 IonicContact OD1-NH2 3.35Å; D140-R193 PolarHBondContact OD1-NH2 3.21Å; D140-R193 IonicContact OD2-CZ 2.72Å; D140-R193 IonicContact OD2-NH2 3.12Å; D140-R193 PolarHBondContact OD2-NH2 3.29Å; V141-R193 PolarHBondContact N-O 3.02Å; N184-R193 WeakPolarHBondContact OD1-CG 3.46Å; T191-R193 HydrophobicContact CG2-CG 4.42Å
194V97.8Very high94Very high2 Ų244.6 Ų44.61%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-89.8106.7175.4-172.80000108.3V98 I102 V141 V143 G182 F183 I185 V192V98-V194 HydrophobicContact CG1-CG2 3.92Å; I102-V194 HydrophobicContact CD1-CG1 4.47Å; V141-V194 CarbonylContact O-C 3.56Å; V141-V194 WeakPolarHBondContact O-CA 3.16Å; V143-V194 HydrophobicContact CB-CG1 4.33Å; V143-V194 HydrophobicContact CG2-CG1 3.48Å; V143-V194 VanDerWaalsContact CG2-CG1 3.48Å; G182-V194 WeakPolarHBondContact CA-O 3.41Å; F183-V194 HydrophobicContact CD1-CB 4.22Å; F183-V194 HydrophobicContact CD1-CG1 4.5Å; F183-V194 HydrophobicContact CD2-CB 4Å; F183-V194 HydrophobicContact CD2-CG2 4.13Å; F183-V194 HydrophobicContact CE1-CB 3.83Å; F183-V194 HydrophobicContact CE1-CG1 3.7Å; F183-V194 HydrophobicContact CE2-CB 3.58Å; F183-V194 HydrophobicContact CE2-CG1 4.06Å; F183-V194 HydrophobicContact CE2-CG2 3.52Å; F183-V194 HydrophobicContact CG-CB 4.31Å; F183-V194 HydrophobicContact CZ-CB 3.48Å; F183-V194 VanDerWaalsContact CZ-CB 3.48Å; F183-V194 HydrophobicContact CZ-CG1 3.44Å; F183-V194 VanDerWaalsContact CZ-CG1 3.44Å; F183-V194 HydrophobicContact CZ-CG2 3.8Å; F183-V194 PolarHBondContact N-O 3.03Å; F183-V194 VanDerWaalsContact N-O 3.07Å; F183-V194 WeakPolarHBondContact O-CA 3.3Å; F183-V194 PolarHBondContact O-N 3Å; I185-V194 HydrophobicContact CG1-CG2 4.39Å; V192-V194 HydrophobicContact CG1-CG2 4.38Å
195I97.1Very high93.7Very high10 Ų1049 Ų495%0.05126%0.261CS..EExtended strand (participates in β ladder)trans-87.6129177.867175.7000110.1V124 V141 A142 V143 R181 N220 T223V124-I195 HydrophobicContact CG2-CD1 3.8Å; V124-I195 HydrophobicContact CG2-CG1 4.39Å; V141-I195 PolarHBondContact O-N 2.87Å; A142-I195 WeakPolarHBondContact CA-O 3.36Å; A142-I195 HydrophobicContact CB-CD1 3.92Å; A142-I195 HydrophobicContact CB-CG1 3.6Å; V143-I195 PolarHBondContact N-O 3.33Å; R181-I195 HydrophobicContact CB-CG2 4.3Å; R181-I195 WeakPolarHBondContact O-CA 3.47Å; I195-N220 HydrophobicContact CB-CB 4.45Å; I195-N220 HydrophobicContact CD1-CB 4.38Å; I195-T223 HydrophobicContact CD1-CG2 3.85Å
196V96.3Very high93.4Very high0 Ų050 Ų500%027%0.268CS..EExtended strand (participates in β ladder)trans-95.3129.9-174.21720000110.2F145 P149 I154 R181 F183 M212 N220F145-V196 HydrophobicContact CD2-CG1 3.76Å; F145-V196 HydrophobicContact CE2-CB 4.49Å; F145-V196 HydrophobicContact CE2-CG1 3.69Å; F145-V196 HydrophobicContact CE2-CG2 4.18Å; P149-V196 HydrophobicContact CB-CG1 3.65Å; P149-V196 HydrophobicContact CG-CG1 3.63Å; I154-V196 HydrophobicContact CD1-CB 4.37Å; I154-V196 HydrophobicContact CD1-CG1 3.98Å; I154-V196 HydrophobicContact CD1-CG2 4.33Å; I154-V196 HydrophobicContact CG1-CG1 4.19Å; I154-V196 HydrophobicContact CG1-CG2 4.18Å; I154-V196 HydrophobicContact CG2-CG2 4.02Å; R181-V196 PolarHBondContact O-N 2.92Å; F183-V196 HydrophobicContact CD1-CG2 4.45Å; F183-V196 HydrophobicContact CE1-CG2 4.36Å; V196-M212 HydrophobicContact CB-CE 4.18Å; V196-M212 HydrophobicContact CB-SD 4.27Å; V196-M212 HydrophobicContact CG1-SD 4.46Å; V196-N220 WeakPolarHBondContact O-CB 3.45Å; V196-N220 PolarHBondContact O-ND2 3.15Å
197C95.5Very high93.2Very high0 Ų051.3 Ų51.30%028%0.276CS..EExtended strand (participates in β ladder)trans-127.9166.4177.4-54.60000109.7V143 V144 F145 N220 I224V143-C197 PolarHBondContact O-N 3.32Å; V144-C197 HydrophobicContact CB-CB 4.38Å; V144-C197 HydrophobicContact CG1-CB 4.5Å; V144-C197 HydrophobicContact CG2-CB 3.93Å; F145-C197 PolarHBondContact N-O 2.97Å; C197-N220 VanDerWaalsContact SG-C 3.53Å; C197-N220 WeakPolarHBondContact SG-CB 3.28Å; C197-I224 HydrophobicContact CB-CD1 4.49Å
198T94.6Very high93Very high1 Ų156 Ų561%0.00630%0.304CS..EExtended strand (participates in β ladder)trans-133.2169.4168.4-171.20000109.6F145 G147 N202 Y203 L217F145-T198 WeakPolarHBondContact O-CA 3.41Å; F145-T198 PolarHBondContact O-OG1 3.2Å; G147-T198 PolarHBondContact O-OG1 3.11Å; T198-N202 HydrophobicContact CG2-CB 4.09Å; T198-N202 PolarHBondContact OG1-ND2 2.79Å; T198-Y203 HydrophobicContact CG2-CD1 3.96Å; T198-Y203 HydrophobicContact CG2-CE1 3.81Å; T198-L217 HydrophobicContact CG2-CD1 4.02Å; T198-L217 HydrophobicContact CG2-CD2 4.34Å
199L94.2Very high93Very high59 Ų5955.9 Ų55.931%0.30930%0.304SS..  trans-64.2142.7175.5-63175.6000111.2A119 V144 F145 R146 S201 N202A119-L199 HydrophobicContact CB-CD2 4.19Å; V144-L199 HydrophobicContact CG1-CD2 4Å; F145-L199 PolarHBondContact O-N 2.98Å; R146-L199 HydrophobicContact CB-CD1 4.39Å; R146-L199 HydrophobicContact CG-CD1 4.46Å; L199-S201 PolarHBondContact O-N 3.39Å; L199-S201 VanDerWaalsContact O-N 3.1Å; L199-N202 WeakPolarHBondContact O-CB 3.36Å; L199-N202 PolarHBondContact O-N 3.05Å
200P92.3Very high93.1Very high92 Ų9257 Ų5760%0.59730%0.302SS*.G310 helixtrans-55.3-30.9177.9-28.135.4000114.5N202 Y203P200-N202 PolarHBondContact O-N 3.45Å; P200-N202 VanDerWaalsContact O-N 3.14Å; P200-Y203 HydrophobicContact CB-CD2 4.36Å; P200-Y203 HydrophobicContact CB-CE2 4.07Å; P200-Y203 WeakPolarHBondContact O-CB 3.45Å; P200-Y203 PolarHBondContact O-N 2.78Å
201S93.4Very high93.1Very high75 Ų7558.2 Ų58.252%0.52431%0.306SS..G310 helixtrans-61.6-17.1175.154.70000114.1L199 C204L199-S201 PolarHBondContact O-N 3.39Å; L199-S201 VanDerWaalsContact O-N 3.1Å; S201-C204 PolarHBondContact O-SG 3.21Å
202N93.3Very high92.9Very high13 Ų1357.6 Ų57.67%0.0730%0.301CS..G310 helixtrans-93.7-12.4-179.2-65.1-19.2000112.8R146 G147 L148 T198 L199 P200 C204 K205 V206R146-N202 PolarHBondContact O-ND2 3.09Å; G147-N202 PolarHBondContact O-ND2 3.14Å; L148-N202 HydrophobicContact CD2-CB 3.76Å; L148-N202 HydrophobicContact CG-CB 4.4Å; T198-N202 HydrophobicContact CG2-CB 4.09Å; T198-N202 PolarHBondContact OG1-ND2 2.79Å; L199-N202 WeakPolarHBondContact O-CB 3.36Å; L199-N202 PolarHBondContact O-N 3.05Å; P200-N202 PolarHBondContact O-N 3.45Å; P200-N202 VanDerWaalsContact O-N 3.14Å; N202-C204 VanDerWaalsContact C-N 3.25Å; N202-C204 PolarHBondContact O-N 3.24Å; N202-K205 WeakPolarHBondContact O-CA 3.42Å; N202-K205 WeakPolarHBondContact O-CB 3.38Å; N202-K205 PolarHBondContact O-N 3.39Å; N202-V206 PolarHBondContact O-N 2.78Å
203Y93.3Very high92.6Very high46 Ų4661.6 Ų61.618%0.1832%0.322CS..G310 helixtrans-58.6-35.5-176.8-67.9-14000113.4T198 P200 K205 L214 F218 S221T198-Y203 HydrophobicContact CG2-CD1 3.96Å; T198-Y203 HydrophobicContact CG2-CE1 3.81Å; P200-Y203 HydrophobicContact CB-CD2 4.36Å; P200-Y203 HydrophobicContact CB-CE2 4.07Å; P200-Y203 WeakPolarHBondContact O-CB 3.45Å; P200-Y203 PolarHBondContact O-N 2.78Å; Y203-K205 PolarHBondContact O-N 3.34Å; Y203-L214 HydrophobicContact CD1-CD1 3.87Å; Y203-L214 HydrophobicContact CG-CD1 3.86Å; Y203-F218 HydrophobicContact CE2-CD2 4.11Å; Y203-S221 VanDerWaalsContact OH-CB 3.23Å; Y203-S221 WeakPolarHBondContact OH-CB 3.07Å; Y203-S221 PolarHBondContact OH-OG 3.43Å
204C92.7Very high92.4Very high116 Ų11660 Ų6078%0.78432%0.322SS*.G310 helixtrans-72.6-10.8175.657.30000114S201 N202S201-C204 PolarHBondContact O-SG 3.21Å; N202-C204 VanDerWaalsContact C-N 3.25Å; N202-C204 PolarHBondContact O-N 3.24Å
205K92.3Very high92.2Very high126 Ų12667.4 Ų67.455%0.54835%0.354SS..G310 helixtrans-105.8-5.1-177.8-53.2178.4-173.3173.40112.9L148 N202 Y203 T207L148-K205 HydrophobicContact CD1-CB 3.88Å; L148-K205 WeakPolarHBondContact CD1-O 3.39Å; N202-K205 WeakPolarHBondContact O-CA 3.42Å; N202-K205 WeakPolarHBondContact O-CB 3.38Å; N202-K205 PolarHBondContact O-N 3.39Å; Y203-K205 PolarHBondContact O-N 3.34Å; K205-T207 PolarHBondContact O-N 2.93Å
206V90.6Very high92Very high22 Ų2267.7 Ų67.713%0.13336%0.355CS..  trans-66.7117.8-178.8177.50000109.8L148 N202 H211 L214 L217L148-V206 HydrophobicContact CD2-CB 4.5Å; L148-V206 HydrophobicContact CD2-CG2 3.68Å; N202-V206 PolarHBondContact O-N 2.78Å; V206-H211 HydrophobicContact CG1-CB 4.02Å; V206-L214 HydrophobicContact CB-CD1 4.48Å; V206-L214 HydrophobicContact CG1-CB 4.33Å; V206-L214 HydrophobicContact CG2-CD1 4.08Å; V206-L217 HydrophobicContact CG1-CD1 4.42Å; V206-L217 HydrophobicContact CG2-CD1 3.96Å
207T90.9Very high92Very high61 Ų6167.7 Ų67.737%0.37436%0.355SS..  trans-100118.9170.3530000110.6K205 E209 Y210 H211K205-T207 PolarHBondContact O-N 2.93Å; T207-E209 PolarHBondContact O-N 3.28Å; T207-E209 VanDerWaalsContact O-N 3.12Å; T207-Y210 PolarHBondContact O-N 3.02Å; T207-H211 PolarHBondContact N-ND1 3.49Å; T207-H211 VanDerWaalsContact N-ND1 3.14Å; T207-H211 WeakPolarHBondContact O-CB 3.45Å; T207-H211 PolarHBondContact O-N 3.38Å; T207-H211 PolarHBondContact O-ND1 3.11Å; T207-H211 PolarHBondContact OG1-CE1 3.31Å; T207-H211 PolarHBondContact OG1-ND1 3.39Å
208P85.5Confident91.8Very high109 Ų10972.1 Ų72.171%0.70838%0.375SS*.THydrogen-bonded Turntrans-61-21-173.4-26.434.6000116.2
209E87.2Confident91.8Very high165 Ų16574.2 Ų74.277%0.77139%0.39SS*.THydrogen-bonded Turntrans-73.6-32.1-179.5-68.2173.4-175.600112.9T207T207-E209 PolarHBondContact O-N 3.28Å; T207-E209 VanDerWaalsContact O-N 3.12Å
210Y86.8Confident91.9Very high154 Ų15471.4 Ų71.460%0.60438%0.375SS*.THydrogen-bonded Turntrans-112.8-30.3-171.7-56.8-79.2000112.3S150 T207S150-Y210 VanDerWaalsContact CA-O 3.24Å; S150-Y210 WeakPolarHBondContact CA-O 3.43Å; S150-Y210 WeakPolarHBondContact CB-O 3.42Å; T207-Y210 PolarHBondContact O-N 3.02Å
211H90.7Very high92Very high34 Ų3468 Ų6816%0.15735%0.354CS..BIsolated β-bridgetrans-108.3160.2-170.5-55116.7000112.2L148 V206 T207 D213L148-H211 VanDerWaalsContact CB-CD2 3.45Å; L148-H211 WeakPolarHBondContact CB-CD2 3.48Å; L148-H211 WeakPolarHBondContact CB-NE2 3.32Å; V206-H211 HydrophobicContact CG1-CB 4.02Å; T207-H211 PolarHBondContact N-ND1 3.49Å; T207-H211 VanDerWaalsContact N-ND1 3.14Å; T207-H211 WeakPolarHBondContact O-CB 3.45Å; T207-H211 PolarHBondContact O-N 3.38Å; T207-H211 PolarHBondContact O-ND1 3.11Å; T207-H211 PolarHBondContact OG1-CE1 3.31Å; T207-H211 PolarHBondContact OG1-ND1 3.39Å; H211-D213 PolarHBondContact O-N 2.83Å
212M90.7Very high92.1Very high21 Ų2165.6 Ų65.610%0.10333%0.334CS..  trans-55.3139.6168.6-176.9172.1-78.800111.2P149 I154 V196 L214 T216 L217P149-M212 PolarHBondContact O-N 2.98Å; P149-M212 VanDerWaalsContact O-N 3.16Å; I154-M212 HydrophobicContact CD1-CE 3.48Å; I154-M212 VanDerWaalsContact CD1-CE 3.48Å; V196-M212 HydrophobicContact CB-CE 4.18Å; V196-M212 HydrophobicContact CB-SD 4.27Å; V196-M212 HydrophobicContact CG1-SD 4.46Å; M212-L214 PolarHBondContact O-N 2.92Å; M212-T216 HydrophobicContact CG-CG2 4.11Å; M212-T216 HydrophobicContact SD-CG2 3.79Å; M212-L217 HydrophobicContact CB-CD1 4.34Å; M212-L217 HydrophobicContact CB-CD2 4.15Å; M212-L217 HydrophobicContact CB-CG 4.09Å; M212-L217 HydrophobicContact CG-CD2 4.19Å; M212-L217 HydrophobicContact CG-CG 4.06Å; M212-L217 WeakPolarHBondContact O-CD1 3.48Å; M212-L217 HydrophobicContact SD-CD2 3.86Å; M212-L217 HydrophobicContact SD-CG 4.28Å
213D92.3Very high92.3Very high83 Ų8366.2 Ų66.244%0.44434%0.338SS..  trans-52.7135.3-179.9174.643.5000112.3H211 K215 T216 L217H211-D213 PolarHBondContact O-N 2.83Å; D213-K215 VanDerWaalsContact C-N 3.25Å; D213-K215 PolarHBondContact O-N 3.49Å; D213-K215 WeakPolarHBondContact OD2-CB 3.45Å; D213-K215 PolarHBondContact OD2-N 3.17Å; D213-T216 WeakPolarHBondContact O-CB 3.3Å; D213-T216 PolarHBondContact O-N 3.06Å; D213-L217 PolarHBondContact O-N 3.4Å
214L93.3Very high92.4Very high72 Ų7265.7 Ų65.738%0.37734%0.339SS..Hα-helixtrans-60.3-36.2-175.7179.862.5000111.8Y203 V206 M212 T216 L217 F218Y203-L214 HydrophobicContact CD1-CD1 3.87Å; Y203-L214 HydrophobicContact CG-CD1 3.86Å; V206-L214 HydrophobicContact CB-CD1 4.48Å; V206-L214 HydrophobicContact CG1-CB 4.33Å; V206-L214 HydrophobicContact CG2-CD1 4.08Å; M212-L214 PolarHBondContact O-N 2.92Å; L214-T216 VanDerWaalsContact C-N 3.29Å; L214-T216 PolarHBondContact O-N 3.21Å; L214-L217 PolarHBondContact O-N 3.49Å; L214-F218 VanDerWaalsContact O-CB 3.3Å; L214-F218 WeakPolarHBondContact O-CB 3.26Å; L214-F218 PolarHBondContact O-N 2.86Å
215K92.5Very high92.6Very high157 Ų15762.6 Ų62.668%0.68332%0.318SS*.Hα-helixtrans-64.5-37.5177.8-172.7-172.6175.7-174.60111.1D213 S219D213-K215 VanDerWaalsContact C-N 3.25Å; D213-K215 PolarHBondContact O-N 3.49Å; D213-K215 WeakPolarHBondContact OD2-CB 3.45Å; D213-K215 PolarHBondContact OD2-N 3.17Å; K215-S219 VanDerWaalsContact O-CB 3.26Å; K215-S219 WeakPolarHBondContact O-CB 3.4Å; K215-S219 PolarHBondContact O-N 3.11Å
216T94.2Very high92.9Very high15 Ų1557.9 Ų57.99%0.09230%0.298CS..Hα-helixtrans-70-47.6176.5-63.80000111.4R181 M212 D213 L214 F218 S219 N220R181-T216 HydrophobicContact CB-CG2 4.37Å; R181-T216 HydrophobicContact CG-CG2 4.09Å; M212-T216 HydrophobicContact CG-CG2 4.11Å; M212-T216 HydrophobicContact SD-CG2 3.79Å; D213-T216 WeakPolarHBondContact O-CB 3.3Å; D213-T216 PolarHBondContact O-N 3.06Å; L214-T216 VanDerWaalsContact C-N 3.29Å; L214-T216 PolarHBondContact O-N 3.21Å; T216-F218 VanDerWaalsContact C-N 3.34Å; T216-F218 PolarHBondContact O-N 3.09Å; T216-S219 PolarHBondContact O-N 3.39Å; T216-N220 WeakPolarHBondContact O-CB 3.42Å; T216-N220 VanDerWaalsContact O-CG 3.25Å; T216-N220 PolarHBondContact O-N 3.3Å
217L94.7Very high93.2Very high0 Ų056.8 Ų56.80%029%0.292CS..Hα-helixtrans-56.8-47.2175.4-71.9171.8000111.6P149 T198 V206 M212 D213 L214 N220 S221P149-L217 HydrophobicContact CG-CD2 3.89Å; T198-L217 HydrophobicContact CG2-CD1 4.02Å; T198-L217 HydrophobicContact CG2-CD2 4.34Å; V206-L217 HydrophobicContact CG1-CD1 4.42Å; V206-L217 HydrophobicContact CG2-CD1 3.96Å; M212-L217 HydrophobicContact CB-CD1 4.34Å; M212-L217 HydrophobicContact CB-CD2 4.15Å; M212-L217 HydrophobicContact CB-CG 4.09Å; M212-L217 HydrophobicContact CG-CD2 4.19Å; M212-L217 HydrophobicContact CG-CG 4.06Å; M212-L217 WeakPolarHBondContact O-CD1 3.48Å; M212-L217 HydrophobicContact SD-CD2 3.86Å; M212-L217 HydrophobicContact SD-CG 4.28Å; D213-L217 PolarHBondContact O-N 3.4Å; L214-L217 PolarHBondContact O-N 3.49Å; L217-N220 PolarHBondContact O-N 3.31Å; L217-S221 PolarHBondContact O-N 2.94Å; L217-S221 PolarHBondContact O-OG 2.91Å
218F93.3Very high93.5Very high93 Ų9361.1 Ų61.141%0.40830%0.301SS..Hα-helixtrans-61.7-46.1176.4-177.5-95.2000112.1Y203 L214 T216 N220 S221 M222Y203-F218 HydrophobicContact CE2-CD2 4.11Å; L214-F218 VanDerWaalsContact O-CB 3.3Å; L214-F218 WeakPolarHBondContact O-CB 3.26Å; L214-F218 PolarHBondContact O-N 2.86Å; T216-F218 VanDerWaalsContact C-N 3.34Å; T216-F218 PolarHBondContact O-N 3.09Å; F218-N220 VanDerWaalsContact C-N 3.31Å; F218-N220 PolarHBondContact O-N 3.12Å; F218-S221 PolarHBondContact O-N 2.92Å; F218-M222 HydrophobicContact CD1-CG 4.17Å; F218-M222 HydrophobicContact CE1-CG 3.76Å; F218-M222 HydrophobicContact CE1-SD 4.36Å; F218-M222 HydrophobicContact CZ-CG 4.06Å; F218-M222 HydrophobicContact CZ-SD 4.09Å; F218-M222 WeakPolarHBondContact O-CG 3.3Å; F218-M222 PolarHBondContact O-N 2.99Å
219S93.8Very high94Very high46 Ų4657 Ų5732%0.32227%0.272SS..Hα-helixtrans-61.5-37.8177.4-178.60000112.6K215 T216 M222 T223K215-S219 VanDerWaalsContact O-CB 3.26Å; K215-S219 WeakPolarHBondContact O-CB 3.4Å; K215-S219 PolarHBondContact O-N 3.11Å; T216-S219 PolarHBondContact O-N 3.39Å; S219-M222 PolarHBondContact O-N 3.01Å; S219-T223 PolarHBondContact O-N 3.49Å; S219-T223 PolarHBondContact O-OG1 3.37Å; S219-T223 VanDerWaalsContact O-OG1 3.09Å
220N96.1Very high94.5Very high0 Ų049.2 Ų49.20%024%0.235CC..Hα-helixtrans-68.2-44.8176.9-70.6-12.8000110.8R181 I195 V196 C197 T216 L217 F218 M222 T223 I224R181-N220 PolarHBondContact O-ND2 2.97Å; I195-N220 HydrophobicContact CB-CB 4.45Å; I195-N220 HydrophobicContact CD1-CB 4.38Å; V196-N220 WeakPolarHBondContact O-CB 3.45Å; V196-N220 PolarHBondContact O-ND2 3.15Å; C197-N220 VanDerWaalsContact SG-C 3.53Å; C197-N220 WeakPolarHBondContact SG-CB 3.28Å; T216-N220 WeakPolarHBondContact O-CB 3.42Å; T216-N220 VanDerWaalsContact O-CG 3.25Å; T216-N220 PolarHBondContact O-N 3.3Å; L217-N220 PolarHBondContact O-N 3.31Å; F218-N220 VanDerWaalsContact C-N 3.31Å; F218-N220 PolarHBondContact O-N 3.12Å; N220-M222 VanDerWaalsContact C-N 3.31Å; N220-M222 PolarHBondContact O-N 2.96Å; N220-T223 WeakPolarHBondContact O-CA 3.4Å; N220-T223 VanDerWaalsContact O-CB 3.23Å; N220-T223 WeakPolarHBondContact O-CB 3.44Å; N220-T223 PolarHBondContact O-N 3.42Å; N220-I224 PolarHBondContact O-N 2.87Å
221S95.2Very high95Very high21 Ų2145 Ų4515%0.14722%0.221CC..Hα-helixtrans-58.7-40.5173.8-67.30000112.4Y203 L217 F218 T223 I224 S225Y203-S221 VanDerWaalsContact OH-CB 3.23Å; Y203-S221 WeakPolarHBondContact OH-CB 3.07Å; Y203-S221 PolarHBondContact OH-OG 3.43Å; L217-S221 PolarHBondContact O-N 2.94Å; L217-S221 PolarHBondContact O-OG 2.91Å; F218-S221 PolarHBondContact O-N 2.92Å; S221-T223 PolarHBondContact O-N 3.01Å; S221-I224 WeakPolarHBondContact O-CB 3.28Å; S221-I224 PolarHBondContact O-N 3.29Å; S221-I224 VanDerWaalsContact O-N 3.13Å; S221-S225 PolarHBondContact O-N 2.85Å
222M95Very high95.2Very high23 Ų2348.7 Ų48.711%0.11324%0.238CC..Hα-helixtrans-61.8-31.3174.1-71.5-57.8-61.400112.5F218 S219 N220 I224 S225 H226 C309 N310F218-M222 HydrophobicContact CD1-CG 4.17Å; F218-M222 HydrophobicContact CE1-CG 3.76Å; F218-M222 HydrophobicContact CE1-SD 4.36Å; F218-M222 HydrophobicContact CZ-CG 4.06Å; F218-M222 HydrophobicContact CZ-SD 4.09Å; F218-M222 WeakPolarHBondContact O-CG 3.3Å; F218-M222 PolarHBondContact O-N 2.99Å; S219-M222 PolarHBondContact O-N 3.01Å; N220-M222 VanDerWaalsContact C-N 3.31Å; N220-M222 PolarHBondContact O-N 2.96Å; M222-I224 VanDerWaalsContact C-N 3.28Å; M222-I224 PolarHBondContact O-N 2.86Å; M222-S225 WeakPolarHBondContact O-CB 3.29Å; M222-S225 PolarHBondContact O-N 2.59Å; M222-H226 WeakPolarHBondContact CE-NE2 3.19Å; M222-H226 WeakPolarHBondContact O-CB 3.47Å; M222-H226 PolarHBondContact O-CD2 2.8Å; M222-H226 PolarHBondContact O-N 2.97Å; M222-H226 PolarHBondContact O-ND1 3.4Å; M222-C309 HydrophobicContact CE-CB 3.51Å; M222-N310 HydrophobicContact CE-CB 4.12Å
223T96.6Very high95.4Very high26 Ų2653.4 Ų53.416%0.1626%0.258CS..Hα-helixtrans-64.6-34.1176.6-580000112V124 I195 S219 N220 S221 T227V124-T223 HydrophobicContact CB-CG2 4.25Å; V124-T223 HydrophobicContact CG2-CG2 4.03Å; I195-T223 HydrophobicContact CD1-CG2 3.85Å; S219-T223 PolarHBondContact O-N 3.49Å; S219-T223 PolarHBondContact O-OG1 3.37Å; S219-T223 VanDerWaalsContact O-OG1 3.09Å; N220-T223 WeakPolarHBondContact O-CA 3.4Å; N220-T223 VanDerWaalsContact O-CB 3.23Å; N220-T223 WeakPolarHBondContact O-CB 3.44Å; N220-T223 PolarHBondContact O-N 3.42Å; S221-T223 PolarHBondContact O-N 3.01Å; T223-T227 WeakPolarHBondContact O-CB 3.18Å; T223-T227 PolarHBondContact O-N 3.38Å; T223-T227 VanDerWaalsContact O-N 3.1Å; T223-T227 PolarHBondContact O-OG1 3.49Å
224I97.2Very high95.5Very high36 Ų3649.4 Ų49.419%0.18524%0.237CC..Hα-helixtrans-64.5-49.7171.8-56.2175.9000109.7V124 A142 V144 C197 N220 S221 M222 H226 T227 R228V124-I224 HydrophobicContact CG1-CG1 4.37Å; A142-I224 HydrophobicContact CB-CD1 3.76Å; A142-I224 HydrophobicContact CB-CG1 3.58Å; V144-I224 HydrophobicContact CG2-CD1 3.6Å; C197-I224 HydrophobicContact CB-CD1 4.49Å; N220-I224 PolarHBondContact O-N 2.87Å; S221-I224 WeakPolarHBondContact O-CB 3.28Å; S221-I224 PolarHBondContact O-N 3.29Å; S221-I224 VanDerWaalsContact O-N 3.13Å; M222-I224 VanDerWaalsContact C-N 3.28Å; M222-I224 PolarHBondContact O-N 2.86Å; I224-H226 PolarHBondContact O-N 3.26Å; I224-T227 PolarHBondContact O-N 3.28Å; I224-R228 PolarHBondContact O-N 2.94Å
225S96.4Very high95.4Very high51 Ų5148.4 Ų48.436%0.35724%0.236SC..Hα-helixtrans-58.6-45.9177.9-59.40000112.3S221 M222 T227 R228 W229S221-S225 PolarHBondContact O-N 2.85Å; M222-S225 WeakPolarHBondContact O-CB 3.29Å; M222-S225 PolarHBondContact O-N 2.59Å; S225-T227 VanDerWaalsContact C-N 3.29Å; S225-T227 PolarHBondContact O-N 3.08Å; S225-R228 PolarHBondContact O-N 3.28Å; S225-W229 WeakPolarHBondContact O-CB 3.25Å; S225-W229 PolarHBondContact O-N 3.49Å
226H97.5Very high95.4Very high26 Ų2645.3 Ų45.312%0.1222%0.224CC..Hα-helixtrans-59.8-39.7177-63.5169.4000112M222 I224 F230 W262M222-H226 WeakPolarHBondContact CE-NE2 3.19Å; M222-H226 WeakPolarHBondContact O-CB 3.47Å; M222-H226 PolarHBondContact O-CD2 2.8Å; M222-H226 PolarHBondContact O-N 2.97Å; M222-H226 PolarHBondContact O-ND1 3.4Å; I224-H226 PolarHBondContact O-N 3.26Å; H226-F230 VanDerWaalsContact O-CB 3.28Å; H226-F230 WeakPolarHBondContact O-CB 3.27Å; H226-F230 PolarHBondContact O-N 2.9Å; H226-W262 HydrophobicContact CB-CD2 4.2Å; H226-W262 HydrophobicContact CB-CE3 3.62Å; H226-W262 HydrophobicContact CB-CH2 3.96Å; H226-W262 HydrophobicContact CB-CZ2 4.47Å; H226-W262 HydrophobicContact CB-CZ3 3.5Å; H226-W262 VanDerWaalsContact CB-CZ3 3.5Å; H226-W262 AromaticContact CD2-CD2 3.6Å; H226-W262 AromaticContact CD2-CE2 3.29Å; H226-W262 AromaticContact CD2-CE3 3.91Å; H226-W262 AromaticContact CD2-CH2 3.67Å; H226-W262 AromaticContact CD2-CZ2 3.32Å; H226-W262 WeakPolarHBondContact CD2-CZ2 3.31Å; H226-W262 AromaticContact CD2-CZ3 3.95Å; H226-W262 AromaticContact CD2-NE1 3.75Å; H226-W262 AromaticContact CE1-CD1 3.58Å; H226-W262 AromaticContact CE1-CD2 3.71Å; H226-W262 AromaticContact CE1-CE2 3.85Å; H226-W262 AromaticContact CE1-CG 3.55Å; H226-W262 AromaticContact CE1-NE1 3.73Å; H226-W262 AromaticContact CG-CD2 3.54Å; H226-W262 AromaticContact CG-CE2 3.76Å; H226-W262 AromaticContact CG-CE3 3.51Å; H226-W262 AromaticContact CG-CH2 3.93Å; H226-W262 AromaticContact CG-CZ2 3.95Å; H226-W262 AromaticContact CG-CZ3 3.72Å; H226-W262 AromaticContact ND1-CD2 3.62Å; H226-W262 AromaticContact ND1-CE3 3.87Å; H226-W262 AromaticContact ND1-CG 3.72Å; H226-W262 AromaticContact NE2-CD1 3.66Å; H226-W262 AromaticContact NE2-CD2 3.74Å; H226-W262 AromaticContact NE2-CE2 3.39Å; H226-W262 AromaticContact NE2-CG 3.9Å; H226-W262 AromaticContact NE2-CZ2 3.86Å; H226-W262 AromaticContact NE2-NE1 3.31Å; H226-W262 PolarHBondContact NE2-NE1 3.13Å
227T97.5Very high95.4Very high0 Ų048.4 Ų48.40%024%0.244CC..Hα-helixtrans-67.6-47.7178.2-56.40000110.7V124 G125 E128 T223 I224 S225 W229 F230 E231V124-T227 HydrophobicContact CB-CG2 4.34Å; V124-T227 WeakPolarHBondContact CB-OG1 3.42Å; V124-T227 HydrophobicContact CG1-CG2 4.33Å; G125-T227 PolarHBondContact N-OG1 2.79Å; E128-T227 HydrophobicContact CB-CG2 3.96Å; E128-T227 HydrophobicContact CG-CG2 3.67Å; T223-T227 WeakPolarHBondContact O-CB 3.18Å; T223-T227 PolarHBondContact O-N 3.38Å; T223-T227 VanDerWaalsContact O-N 3.1Å; T223-T227 PolarHBondContact O-OG1 3.49Å; I224-T227 PolarHBondContact O-N 3.28Å; S225-T227 VanDerWaalsContact C-N 3.29Å; S225-T227 PolarHBondContact O-N 3.08Å; T227-W229 PolarHBondContact O-N 3.22Å; T227-F230 PolarHBondContact O-N 3.19Å; T227-E231 WeakPolarHBondContact CG2-OE1 3.39Å; T227-E231 WeakPolarHBondContact O-CG 3.24Å; T227-E231 PolarHBondContact O-N 2.87Å
228R96.8Very high95.4Very high151 Ų15148.5 Ų48.557%0.5725%0.245SC*.Hα-helixtrans-58.7-46.2175.7-178.4180178.3176.30.7112.2I224 S225 F230 E231 Q232I224-R228 PolarHBondContact O-N 2.94Å; S225-R228 PolarHBondContact O-N 3.28Å; R228-F230 VanDerWaalsContact C-N 3.32Å; R228-F230 PolarHBondContact O-N 3.32Å; R228-E231 PolarHBondContact O-N 3.47Å; R228-Q232 WeakPolarHBondContact O-CG 3.43Å; R228-Q232 PolarHBondContact O-N 3.44Å; R228-Q232 VanDerWaalsContact O-N 3.1Å
229W97.3Very high95.5Very high24 Ų2444.1 Ų44.19%0.09123%0.226CC..Hα-helixtrans-60.7-42.9176.7177.189.6000111.4S225 T227 E231 Q232 F233 A234 W262 V266 H269 P308S225-W229 WeakPolarHBondContact O-CB 3.25Å; S225-W229 PolarHBondContact O-N 3.49Å; T227-W229 PolarHBondContact O-N 3.22Å; W229-E231 PolarHBondContact O-N 3.09Å; W229-Q232 PolarHBondContact O-N 3.35Å; W229-F233 AromaticContact CD1-CD2 3.34Å; W229-F233 AromaticContact CD1-CE2 3.84Å; W229-F233 HydrophobicContact CD2-CD2 4.44Å; W229-F233 AromaticContact CG-CD2 3.92Å; W229-F233 HydrophobicContact CG-CD2 3.92Å; W229-F233 HydrophobicContact CZ2-CB 4.44Å; W229-F233 AromaticContact NE1-CD2 3.5Å; W229-F233 WeakPolarHBondContact O-CD2 3.39Å; W229-F233 PolarHBondContact O-N 3Å; W229-A234 HydrophobicContact CE3-CB 4.39Å; W229-A234 HydrophobicContact CH2-CB 4.14Å; W229-A234 HydrophobicContact CZ3-CB 3.8Å; W229-W262 HydrophobicContact CB-CH2 4.27Å; W229-W262 AromaticContact CD2-CH2 3.77Å; W229-W262 HydrophobicContact CD2-CH2 3.77Å; W229-W262 HydrophobicContact CD2-CZ3 4.4Å; W229-W262 AromaticContact CE3-CH2 3.4Å; W229-W262 HydrophobicContact CE3-CH2 3.4Å; W229-W262 VanDerWaalsContact CE3-CH2 3.4Å; W229-W262 AromaticContact CE3-CZ3 3.59Å; W229-W262 HydrophobicContact CE3-CZ3 3.59Å; W229-W262 HydrophobicContact CG-CH2 4.14Å; W229-W262 AromaticContact CZ3-CH2 3.99Å; W229-W262 HydrophobicContact CZ3-CH2 3.99Å; W229-W262 AromaticContact CZ3-CZ3 3.97Å; W229-W262 HydrophobicContact CZ3-CZ3 3.97Å; W229-V266 HydrophobicContact CH2-CG2 4.31Å; W229-V266 HydrophobicContact CZ3-CG2 4.41Å; W229-H269 HydrophobicContact CH2-CB 3.65Å; W229-H269 AromaticContact CH2-CG 3.52Å; W229-H269 AromaticContact CH2-ND1 3.7Å; W229-H269 HydrophobicContact CZ2-CB 4.47Å; W229-H269 AromaticContact CZ2-CE1 3.9Å; W229-H269 AromaticContact CZ2-CG 3.89Å; W229-H269 AromaticContact CZ2-ND1 3.64Å; W229-H269 HydrophobicContact CZ3-CB 4.47Å; W229-P308 HydrophobicContact CD2-CG 3.97Å; W229-P308 HydrophobicContact CG-CB 4.46Å; W229-P308 HydrophobicContact CG-CG 4.21Å; W229-P308 HydrophobicContact CZ2-CB 4.41Å; W229-P308 HydrophobicContact CZ2-CG 3.88Å; W229-P308 VanDerWaalsContact NE1-CB 3.32Å
230F97.8Very high95.6Very high1 Ų144.5 Ų44.50%0.00422%0.22CC..Hα-helixtrans-64.5-42.3-179.9-167.9-79.5000112.1K129 T131 H226 T227 R228 Q232 A234 S235 V239 R240 E265K129-F230 HydrophobicContact CB-CD1 3.69Å; K129-F230 HydrophobicContact CB-CE1 3.74Å; K129-F230 HydrophobicContact CB-CG 4.19Å; K129-F230 HydrophobicContact CB-CZ 4.28Å; K129-F230 HydrophobicContact CD-CB 4.03Å; K129-F230 HydrophobicContact CD-CD1 4.18Å; K129-F230 HydrophobicContact CD-CD2 4.01Å; K129-F230 HydrophobicContact CD-CG 3.8Å; K129-F230 HydrophobicContact CG-CB 3.99Å; K129-F230 HydrophobicContact CG-CD1 3.61Å; K129-F230 HydrophobicContact CG-CD2 4.36Å; K129-F230 HydrophobicContact CG-CE1 4.19Å; K129-F230 HydrophobicContact CG-CG 3.72Å; K129-F230 WeakPolarHBondContact O-CE1 3.44Å; T131-F230 HydrophobicContact CG2-CZ 4.03Å; H226-F230 VanDerWaalsContact O-CB 3.28Å; H226-F230 WeakPolarHBondContact O-CB 3.27Å; H226-F230 PolarHBondContact O-N 2.9Å; T227-F230 PolarHBondContact O-N 3.19Å; R228-F230 VanDerWaalsContact C-N 3.32Å; R228-F230 PolarHBondContact O-N 3.32Å; F230-Q232 VanDerWaalsContact C-N 3.34Å; F230-Q232 PolarHBondContact O-N 3.25Å; F230-A234 HydrophobicContact CB-CB 4.46Å; F230-A234 HydrophobicContact CD1-CB 4.38Å; F230-A234 HydrophobicContact CD2-CB 3.7Å; F230-A234 WeakPolarHBondContact CE1-O 3.28Å; F230-A234 HydrophobicContact CE2-CB 3.91Å; F230-A234 HydrophobicContact CG-CB 3.94Å; F230-A234 HydrophobicContact CZ-CB 4.35Å; F230-A234 WeakPolarHBondContact CZ-O 3.46Å; F230-A234 CarbonylContact O-C 3.56Å; F230-A234 VanDerWaalsContact O-CA 3.32Å; F230-A234 WeakPolarHBondContact O-CA 3.49Å; F230-A234 PolarHBondContact O-N 3.01Å; F230-S235 PolarHBondContact O-N 3.27Å; F230-S235 VanDerWaalsContact O-N 3.09Å; F230-V239 HydrophobicContact CE2-CG1 4.05Å; F230-V239 HydrophobicContact CZ-CG1 4.08Å; F230-R240 HydrophobicContact CE1-CG 4.29Å; F230-R240 HydrophobicContact CZ-CG 4.25Å; F230-E265 HydrophobicContact CD2-CB 4.21Å; F230-E265 HydrophobicContact CD2-CG 4.08Å; F230-E265 HydrophobicContact CE2-CB 4.24Å; F230-E265 HydrophobicContact CE2-CG 3.92Å
231E96.1Very high95.7Very high66 Ų6645.3 Ų45.331%0.30822%0.224SC..Hα-helixtrans-59.1-45175-72.3163.2-17100111.7K122 E128 T227 R228 W229 S235K122-E231 WeakPolarHBondContact CE-OE1 3.31Å; K122-E231 IonicContact NZ-OE1 2.75Å; K122-E231 PolarHBondContact NZ-OE1 3.15Å; K122-E231 VanDerWaalsContact NZ-OE1 3.12Å; K122-E231 IonicContact NZ-OE2 3.06Å; K122-E231 PolarHBondContact NZ-OE2 3.08Å; E128-E231 WeakPolarHBondContact CG-OE1 3.3Å; T227-E231 WeakPolarHBondContact CG2-OE1 3.39Å; T227-E231 WeakPolarHBondContact O-CG 3.24Å; T227-E231 PolarHBondContact O-N 2.87Å; R228-E231 PolarHBondContact O-N 3.47Å; W229-E231 PolarHBondContact O-N 3.09Å; E231-S235 WeakPolarHBondContact O-CB 3.48Å; E231-S235 PolarHBondContact O-OG 3.07Å
232Q95.7Very high95.8Very high110 Ų11044.3 Ų44.351%0.51422%0.217SC..Hα-helixtrans-75.5-42.8-175.1-70.9-178.6-20.500113.3R228 W229 F230R228-Q232 WeakPolarHBondContact O-CG 3.43Å; R228-Q232 PolarHBondContact O-N 3.44Å; R228-Q232 VanDerWaalsContact O-N 3.1Å; W229-Q232 PolarHBondContact O-N 3.35Å; F230-Q232 VanDerWaalsContact C-N 3.34Å; F230-Q232 PolarHBondContact O-N 3.25Å
233F93.5Very high95.9Very high120 Ų12043.2 Ų43.253%0.52621%0.212SC..Hα-helixtrans-116.1-24.4-167.9-57-70.6000114.2W229 H269W229-F233 AromaticContact CD1-CD2 3.34Å; W229-F233 AromaticContact CD1-CE2 3.84Å; W229-F233 HydrophobicContact CD2-CD2 4.44Å; W229-F233 AromaticContact CG-CD2 3.92Å; W229-F233 HydrophobicContact CG-CD2 3.92Å; W229-F233 HydrophobicContact CZ2-CB 4.44Å; W229-F233 AromaticContact NE1-CD2 3.5Å; W229-F233 WeakPolarHBondContact O-CD2 3.39Å; W229-F233 PolarHBondContact O-N 3Å; F233-H269 PolarHBondContact O-CD2 2.74Å; F233-H269 PolarHBondContact O-NE2 2.87Å
234A94.3Very high96Very high0 Ų043.5 Ų43.50%021%0.21CC..SBendtrans-118.418.1-170.300000113.8W229 F230 H236 V239 H269W229-A234 HydrophobicContact CE3-CB 4.39Å; W229-A234 HydrophobicContact CH2-CB 4.14Å; W229-A234 HydrophobicContact CZ3-CB 3.8Å; F230-A234 HydrophobicContact CB-CB 4.46Å; F230-A234 HydrophobicContact CD1-CB 4.38Å; F230-A234 HydrophobicContact CD2-CB 3.7Å; F230-A234 WeakPolarHBondContact CE1-O 3.28Å; F230-A234 HydrophobicContact CE2-CB 3.91Å; F230-A234 HydrophobicContact CG-CB 3.94Å; F230-A234 HydrophobicContact CZ-CB 4.35Å; F230-A234 WeakPolarHBondContact CZ-O 3.46Å; F230-A234 CarbonylContact O-C 3.56Å; F230-A234 VanDerWaalsContact O-CA 3.32Å; F230-A234 WeakPolarHBondContact O-CA 3.49Å; F230-A234 PolarHBondContact O-N 3.01Å; A234-H236 PolarHBondContact O-N 2.79Å; A234-V239 HydrophobicContact CB-CG1 4.19Å; A234-H269 HydrophobicContact CB-CB 4.32Å
235S91.8Very high96Very high51 Ų5141.8 Ų41.836%0.35720%0.201SC..  trans-75.1-3.8-176.857.30000114.8F230 E231 R240F230-S235 PolarHBondContact O-N 3.27Å; F230-S235 VanDerWaalsContact O-N 3.09Å; E231-S235 WeakPolarHBondContact O-CB 3.48Å; E231-S235 PolarHBondContact O-OG 3.07Å; S235-R240 VanDerWaalsContact O-CZ 3.24Å; S235-R240 PolarHBondContact O-NH1 3.49Å; S235-R240 PolarHBondContact O-NH2 3.36Å
236H92.8Very high96.1Very high92 Ų9239.4 Ų39.443%0.42618%0.184SC..SBendtrans-62.6135.8179.9-171.4-89.7000112.2A234 A238 V239 R240A234-H236 PolarHBondContact O-N 2.79Å; H236-A238 VanDerWaalsContact C-N 3.3Å; H236-A238 VanDerWaalsContact ND1-CB 3.3Å; H236-A238 WeakPolarHBondContact ND1-CB 3.47Å; H236-A238 PolarHBondContact ND1-N 3.48Å; H236-A238 VanDerWaalsContact ND1-N 3.17Å; H236-A238 PolarHBondContact O-N 2.98Å; H236-V239 HydrophobicContact CB-CG2 4.21Å; H236-V239 WeakPolarHBondContact O-CB 3.48Å; H236-V239 PolarHBondContact O-N 3.48Å; H236-R240 PolarHBondContact O-N 3.07Å
237P94Very high96Very high79 Ų7939.6 Ų39.651%0.51319%0.185SC..Hα-helixtrans-54.8-38.3-177.3-28.535.4000114.9V239 R240 I241P237-V239 VanDerWaalsContact C-N 3.28Å; P237-V239 PolarHBondContact O-N 3.44Å; P237-R240 PolarHBondContact O-N 3.2Å; P237-I241 WeakPolarHBondContact O-CG1 3.21Å; P237-I241 PolarHBondContact O-N 3.33Å
238A94.3Very high96Very high3 Ų340.3 Ų40.33%0.02519%0.189CC..Hα-helixtrans-59.4-38.5177.600000112.4H236 I241 I242 V272 T280 V282H236-A238 VanDerWaalsContact C-N 3.3Å; H236-A238 VanDerWaalsContact ND1-CB 3.3Å; H236-A238 WeakPolarHBondContact ND1-CB 3.47Å; H236-A238 PolarHBondContact ND1-N 3.48Å; H236-A238 VanDerWaalsContact ND1-N 3.17Å; H236-A238 PolarHBondContact O-N 2.98Å; A238-I241 PolarHBondContact O-N 2.87Å; A238-I242 WeakPolarHBondContact O-CB 3.42Å; A238-I242 VanDerWaalsContact O-CG1 3.27Å; A238-I242 WeakPolarHBondContact O-CG1 3.12Å; A238-I242 PolarHBondContact O-N 2.93Å; A238-V272 HydrophobicContact CB-CG1 4.49Å; A238-V272 HydrophobicContact CB-CG2 4.4Å; A238-T280 HydrophobicContact CB-CG2 4.2Å; A238-V282 HydrophobicContact CB-CG2 3.93Å
239V96.2Very high96Very high1 Ų133.1 Ų33.11%0.00616%0.162CC..Hα-helixtrans-63-49.4176.1178.80000109.4F230 A234 H236 P237 I241 I242 V243 V268 V272F230-V239 HydrophobicContact CE2-CG1 4.05Å; F230-V239 HydrophobicContact CZ-CG1 4.08Å; A234-V239 HydrophobicContact CB-CG1 4.19Å; H236-V239 HydrophobicContact CB-CG2 4.21Å; H236-V239 WeakPolarHBondContact O-CB 3.48Å; H236-V239 PolarHBondContact O-N 3.48Å; P237-V239 VanDerWaalsContact C-N 3.28Å; P237-V239 PolarHBondContact O-N 3.44Å; V239-I241 VanDerWaalsContact C-N 3.34Å; V239-I241 PolarHBondContact O-N 3Å; V239-I242 PolarHBondContact O-N 3.32Å; V239-V243 HydrophobicContact CG1-CG2 4.07Å; V239-V243 WeakPolarHBondContact O-CB 3.3Å; V239-V243 VanDerWaalsContact O-CG2 3.25Å; V239-V243 WeakPolarHBondContact O-CG2 3.45Å; V239-V243 PolarHBondContact O-N 3.28Å; V239-V268 HydrophobicContact CB-CG1 4.5Å; V239-V268 HydrophobicContact CG1-CG1 4.05Å; V239-V272 HydrophobicContact CG2-CB 4.06Å; V239-V272 HydrophobicContact CG2-CG1 4Å; V239-V272 HydrophobicContact CG2-CG2 4.02Å
240R96.5Very high95.9Very high54 Ų5434 Ų3420%0.20417%0.166CC..Hα-helixtrans-60.8-41.4-179.4-64.7-178.7179.7137.82.4112.7K129 T131 F230 S235 H236 P237 R244K129-R240 PolarHBondContact O-NE 3.15Å; T131-R240 HydrophobicContact CG2-CB 4.18Å; T131-R240 HydrophobicContact CG2-CG 4.13Å; F230-R240 HydrophobicContact CE1-CG 4.29Å; F230-R240 HydrophobicContact CZ-CG 4.25Å; S235-R240 VanDerWaalsContact O-CZ 3.24Å; S235-R240 PolarHBondContact O-NH1 3.49Å; S235-R240 PolarHBondContact O-NH2 3.36Å; H236-R240 PolarHBondContact O-N 3.07Å; P237-R240 PolarHBondContact O-N 3.2Å; R240-R244 PolarHBondContact O-N 3.49Å; R240-R244 VanDerWaalsContact O-N 3.11Å
241I97.2Very high95.8Very high16 Ų1638.4 Ų38.48%0.08220%0.197CC..Hα-helixtrans-59.9-54.1176-71.2161000110L75 N78 P237 A238 V239 V243 R244 V245 V282L75-I241 HydrophobicContact CD2-CD1 3.72Å; N78-I241 HydrophobicContact CB-CG2 4.01Å; P237-I241 WeakPolarHBondContact O-CG1 3.21Å; P237-I241 PolarHBondContact O-N 3.33Å; A238-I241 PolarHBondContact O-N 2.87Å; V239-I241 VanDerWaalsContact C-N 3.34Å; V239-I241 PolarHBondContact O-N 3Å; I241-V243 PolarHBondContact O-N 2.74Å; I241-R244 PolarHBondContact O-N 3.24Å; I241-V245 WeakPolarHBondContact O-CG2 3.44Å; I241-V245 PolarHBondContact O-N 3.47Å; I241-V282 HydrophobicContact CG2-CG1 4.06Å
242I97.6Very high95.7Very high0 Ų038.5 Ų38.50%019%0.194CC..Hα-helixtrans-65.8-41.7-176.7-64.7168.3000110.6A238 V239 R244 V245 V246 V268 V272 V282 A285 F286A238-I242 WeakPolarHBondContact O-CB 3.42Å; A238-I242 VanDerWaalsContact O-CG1 3.27Å; A238-I242 WeakPolarHBondContact O-CG1 3.12Å; A238-I242 PolarHBondContact O-N 2.93Å; V239-I242 PolarHBondContact O-N 3.32Å; I242-R244 VanDerWaalsContact C-N 3.35Å; I242-R244 PolarHBondContact O-N 3.24Å; I242-V245 PolarHBondContact O-N 3.11Å; I242-V246 HydrophobicContact CG2-CG2 3.88Å; I242-V246 WeakPolarHBondContact O-CB 3.5Å; I242-V246 VanDerWaalsContact O-CG2 3.24Å; I242-V246 WeakPolarHBondContact O-CG2 3.43Å; I242-V246 PolarHBondContact O-N 3.48Å; I242-V268 HydrophobicContact CB-CG1 3.59Å; I242-V268 HydrophobicContact CB-CG2 4.49Å; I242-V268 HydrophobicContact CD1-CG1 4.45Å; I242-V268 HydrophobicContact CG2-CB 4.19Å; I242-V268 HydrophobicContact CG2-CG1 3.49Å; I242-V268 VanDerWaalsContact CG2-CG1 3.49Å; I242-V268 HydrophobicContact CG2-CG2 3.57Å; I242-V272 HydrophobicContact CD1-CG2 3.93Å; I242-V282 HydrophobicContact CD1-CG1 4Å; I242-V282 HydrophobicContact CG1-CG1 3.83Å; I242-A285 HydrophobicContact CD1-CB 3.69Å; I242-F286 HydrophobicContact CD1-CB 4.39Å; I242-F286 HydrophobicContact CG1-CB 4.4Å; I242-F286 HydrophobicContact CG2-CD2 4.16Å
243V97.9Very high95.6Very high0 Ų033.7 Ų33.70%017%0.172CC..Hα-helixtrans-58.2-44.4176.4168.80000111.5T131 V239 I241 V246 K247 I264 E265 V268T131-V243 HydrophobicContact CG2-CB 4.17Å; T131-V243 HydrophobicContact CG2-CG1 3.87Å; V239-V243 HydrophobicContact CG1-CG2 4.07Å; V239-V243 WeakPolarHBondContact O-CB 3.3Å; V239-V243 VanDerWaalsContact O-CG2 3.25Å; V239-V243 WeakPolarHBondContact O-CG2 3.45Å; V239-V243 PolarHBondContact O-N 3.28Å; I241-V243 PolarHBondContact O-N 2.74Å; V243-V246 PolarHBondContact O-N 3.4Å; V243-K247 HydrophobicContact CG1-CD 4.16Å; V243-K247 WeakPolarHBondContact O-CB 3.3Å; V243-K247 VanDerWaalsContact O-CG 3.28Å; V243-K247 WeakPolarHBondContact O-CG 3.3Å; V243-K247 PolarHBondContact O-N 2.92Å; V243-I264 HydrophobicContact CG1-CG2 4.38Å; V243-I264 HydrophobicContact CG2-CG2 4.39Å; V243-E265 HydrophobicContact CG1-CG 4.28Å; V243-E265 HydrophobicContact CG2-CG 4.26Å; V243-V268 HydrophobicContact CG2-CB 4.05Å; V243-V268 HydrophobicContact CG2-CG1 3.98Å; V243-V268 HydrophobicContact CG2-CG2 4.29Å
244R97.3Very high95.6Very high32 Ų3233.6 Ų33.612%0.12117%0.171CC..Hα-helixtrans-62.5-48.3176.6-79.9-170.2-69.7-110.8-3.3111.9N78 R130 L132 I133 R240 I241 I242 V246 K247 D248N78-R244 PolarHBondContact OD1-NE 2.75Å; N78-R244 PolarHBondContact OD1-NH2 3.21Å; R130-R244 PolarHBondContact O-NH1 2.91Å; L132-R244 WeakPolarHBondContact O-CD 3.46Å; I133-R244 HydrophobicContact CG1-CG 4.3Å; R240-R244 PolarHBondContact O-N 3.49Å; R240-R244 VanDerWaalsContact O-N 3.11Å; I241-R244 PolarHBondContact O-N 3.24Å; I242-R244 VanDerWaalsContact C-N 3.35Å; I242-R244 PolarHBondContact O-N 3.24Å; R244-V246 PolarHBondContact O-N 3.02Å; R244-K247 PolarHBondContact O-N 2.73Å; R244-D248 PolarHBondContact O-N 2.93Å
245V97.8Very high95.6Very high0 Ų034 Ų340%018%0.175CC..Hα-helixtrans-63.3-41.2179.31730000111.3L74 R77 N78 L81 I241 I242 D248 I249 F286 L347L74-V245 HydrophobicContact CD2-CB 4.19Å; L74-V245 HydrophobicContact CD2-CG1 3.77Å; L74-V245 HydrophobicContact CD2-CG2 4.05Å; R77-V245 HydrophobicContact CB-CG2 4.48Å; R77-V245 HydrophobicContact CG-CG2 4.29Å; N78-V245 HydrophobicContact CB-CG2 4.48Å; L81-V245 HydrophobicContact CD1-CG2 4.26Å; I241-V245 WeakPolarHBondContact O-CG2 3.44Å; I241-V245 PolarHBondContact O-N 3.47Å; I242-V245 PolarHBondContact O-N 3.11Å; V245-D248 WeakPolarHBondContact O-CB 3.28Å; V245-D248 PolarHBondContact O-N 2.83Å; V245-I249 HydrophobicContact CG1-CD1 3.74Å; V245-I249 HydrophobicContact CG1-CG1 4.25Å; V245-I249 VanDerWaalsContact O-CG1 3.28Å; V245-I249 WeakPolarHBondContact O-CG1 3.44Å; V245-I249 PolarHBondContact O-N 3.11Å; V245-F286 HydrophobicContact CG1-CE2 4.37Å; V245-L347 HydrophobicContact CG1-CD2 3.83Å
246V97.8Very high95.8Very high1 Ų131.5 Ų31.51%0.00616%0.158CC..Hα-helixtrans-67.5-38178.3172.30000111.6I242 V243 R244 D248 I249 K250 I264 V268 F286 F289I242-V246 HydrophobicContact CG2-CG2 3.88Å; I242-V246 WeakPolarHBondContact O-CB 3.5Å; I242-V246 VanDerWaalsContact O-CG2 3.24Å; I242-V246 WeakPolarHBondContact O-CG2 3.43Å; I242-V246 PolarHBondContact O-N 3.48Å; V243-V246 PolarHBondContact O-N 3.4Å; R244-V246 PolarHBondContact O-N 3.02Å; V246-D248 VanDerWaalsContact C-N 3.28Å; V246-D248 PolarHBondContact O-N 3.3Å; V246-I249 PolarHBondContact O-N 3Å; V246-K250 VanDerWaalsContact O-CB 3.3Å; V246-K250 WeakPolarHBondContact O-CB 3.21Å; V246-K250 PolarHBondContact O-N 3.02Å; V246-I264 HydrophobicContact CB-CG2 3.96Å; V246-I264 HydrophobicContact CG1-CB 4.41Å; V246-I264 HydrophobicContact CG1-CD1 4.06Å; V246-I264 HydrophobicContact CG1-CG1 3.96Å; V246-I264 HydrophobicContact CG1-CG2 3.61Å; V246-V268 HydrophobicContact CG2-CG2 4.38Å; V246-F286 HydrophobicContact CG2-CD2 4.42Å; V246-F286 HydrophobicContact CG2-CE2 4.16Å; V246-F289 HydrophobicContact CB-CE1 4.39Å; V246-F289 HydrophobicContact CB-CZ 4.44Å; V246-F289 HydrophobicContact CG1-CE1 3.77Å; V246-F289 HydrophobicContact CG1-CE2 4.46Å; V246-F289 HydrophobicContact CG1-CZ 3.55Å; V246-F289 HydrophobicContact CG2-CD1 3.94Å; V246-F289 HydrophobicContact CG2-CE1 3.6Å; V246-F289 HydrophobicContact CG2-CZ 4Å
247K97Very high95.9Very high30 Ų3032 Ų3213%0.1316%0.163CC..Hα-helixtrans-62.2-36172.4-75.3174.9-177.3176.10111.9S126 T131 I133 V243 R244 S251 I264S126-K247 PolarHBondContact OG-NZ 3.49Å; T131-K247 PolarHBondContact O-NZ 3.26Å; T131-K247 PolarHBondContact OG1-NZ 3.31Å; I133-K247 HydrophobicContact CD1-CB 3.31Å; I133-K247 HydrophobicContact CD1-CD 3.89Å; I133-K247 HydrophobicContact CD1-CG 4.24Å; V243-K247 HydrophobicContact CG1-CD 4.16Å; V243-K247 WeakPolarHBondContact O-CB 3.3Å; V243-K247 VanDerWaalsContact O-CG 3.28Å; V243-K247 WeakPolarHBondContact O-CG 3.3Å; V243-K247 PolarHBondContact O-N 2.92Å; R244-K247 PolarHBondContact O-N 2.73Å; K247-S251 PolarHBondContact O-N 3.3Å; K247-I264 HydrophobicContact CG-CD1 4.38Å
248D96.2Very high96Very high15 Ų1529.2 Ų29.28%0.0815%0.146CC..Hα-helixtrans-67.8-48.8172.2172.276.4000112.1R77 L81 R244 V245 V246 K250 S251 R252R77-D248 IonicContact CZ-OD1 2.68Å; R77-D248 IonicContact CZ-OD2 3.09Å; R77-D248 IonicContact NE-OD1 3.85Å; R77-D248 IonicContact NE-OD2 3.98Å; R77-D248 PolarHBondContact NE-OD2 3.47Å; R77-D248 IonicContact NH2-OD1 3.14Å; R77-D248 PolarHBondContact NH2-OD1 2.89Å; R77-D248 IonicContact NH2-OD2 2.65Å; R77-D248 PolarHBondContact NH2-OD2 2.55Å; L81-D248 HydrophobicContact CD1-CB 3.55Å; L81-D248 HydrophobicContact CD2-CB 3.87Å; L81-D248 HydrophobicContact CG-CB 4.38Å; R244-D248 PolarHBondContact O-N 2.93Å; V245-D248 WeakPolarHBondContact O-CB 3.28Å; V245-D248 PolarHBondContact O-N 2.83Å; V246-D248 VanDerWaalsContact C-N 3.28Å; V246-D248 PolarHBondContact O-N 3.3Å; D248-K250 VanDerWaalsContact C-N 3.3Å; D248-K250 PolarHBondContact O-N 3.44Å; D248-S251 PolarHBondContact O-N 3.22Å; D248-S251 PolarHBondContact O-OG 3.23Å; D248-R252 PolarHBondContact O-N 3.32Å; D248-R252 IonicContact OD1-NE 2.9Å; D248-R252 IonicContact OD2-CZ 3.05Å; D248-R252 IonicContact OD2-NE 3.36Å; D248-R252 PolarHBondContact OD2-NE 2.91Å; D248-R252 IonicContact OD2-NH2 2.93Å; D248-R252 PolarHBondContact OD2-NH2 3.35Å
249I96.8Very high96.1Very high1 Ų129.1 Ų29.11%0.00515%0.145CC..Hα-helixtrans-54.9-47.1175-70.7169.4000110.3V245 V246 S251 R252 Y253 F256 F286 L334 V346V245-I249 HydrophobicContact CG1-CD1 3.74Å; V245-I249 HydrophobicContact CG1-CG1 4.25Å; V245-I249 VanDerWaalsContact O-CG1 3.28Å; V245-I249 WeakPolarHBondContact O-CG1 3.44Å; V245-I249 PolarHBondContact O-N 3.11Å; V246-I249 PolarHBondContact O-N 3Å; I249-S251 PolarHBondContact O-N 3.13Å; I249-R252 PolarHBondContact O-N 2.8Å; I249-Y253 HydrophobicContact CB-CD2 4.43Å; I249-Y253 HydrophobicContact CG2-CD2 3.53Å; I249-Y253 HydrophobicContact CG2-CE2 3.93Å; I249-Y253 VanDerWaalsContact O-CD2 3.25Å; I249-Y253 WeakPolarHBondContact O-CD2 3.45Å; I249-Y253 PolarHBondContact O-N 3.03Å; I249-F256 HydrophobicContact CG2-CD2 3.82Å; I249-F256 HydrophobicContact CG2-CE2 3.73Å; I249-F286 HydrophobicContact CD1-CE2 3.56Å; I249-F286 HydrophobicContact CD1-CZ 3.49Å; I249-F286 VanDerWaalsContact CD1-CZ 3.49Å; I249-L334 HydrophobicContact CG2-CD1 4.16Å; I249-V346 HydrophobicContact CD1-CG1 4.49Å
250K96.2Very high96Very high43 Ų4332.2 Ų32.219%0.18716%0.161CC..Hα-helixtrans-52.3-42.8175.2172.7-172.8173.1730111.9V246 D248 R252 F256 D257 L259 I264V246-K250 VanDerWaalsContact O-CB 3.3Å; V246-K250 WeakPolarHBondContact O-CB 3.21Å; V246-K250 PolarHBondContact O-N 3.02Å; D248-K250 VanDerWaalsContact C-N 3.3Å; D248-K250 PolarHBondContact O-N 3.44Å; K250-R252 PolarHBondContact O-N 3.06Å; K250-F256 HydrophobicContact CB-CB 4.27Å; K250-F256 HydrophobicContact CG-CB 4.27Å; K250-F256 PolarHBondContact NZ-O 3.17Å; K250-D257 PolarHBondContact NZ-O 3.01Å; K250-L259 WeakPolarHBondContact CD-O 3.24Å; K250-L259 WeakPolarHBondContact CE-O 3.36Å; K250-L259 PolarHBondContact NZ-O 2.65Å; K250-I264 HydrophobicContact CD-CD1 4.05Å
251S94Very high95.9Very high92 Ų9233.1 Ų33.164%0.64317%0.174SC*.Hα-helixtrans-70.3-15.5-18071.70000114.4K247 D248 I249K247-S251 PolarHBondContact O-N 3.3Å; D248-S251 PolarHBondContact O-N 3.22Å; D248-S251 PolarHBondContact O-OG 3.23Å; I249-S251 PolarHBondContact O-N 3.13Å
252R94.5Very high95.9Very high68 Ų6833.3 Ų33.326%0.25717%0.174SC..Hα-helixtrans-101.3-21.7-178.9-67.9-173.8-71.8106.5-3.9113.8D248 I249 K250 L345 V346 L347D248-R252 PolarHBondContact O-N 3.32Å; D248-R252 IonicContact OD1-NE 2.9Å; D248-R252 IonicContact OD2-CZ 3.05Å; D248-R252 IonicContact OD2-NE 3.36Å; D248-R252 PolarHBondContact OD2-NE 2.91Å; D248-R252 IonicContact OD2-NH2 2.93Å; D248-R252 PolarHBondContact OD2-NH2 3.35Å; I249-R252 PolarHBondContact O-N 2.8Å; K250-R252 PolarHBondContact O-N 3.06Å; R252-L345 PolarHBondContact NH1-O 2.81Å; R252-V346 PolarHBondContact NH1-O 2.75Å; R252-V346 VanDerWaalsContact NH1-O 3.09Å; R252-V346 PolarHBondContact NH2-O 3.23Å; R252-L347 VanDerWaalsContact NH2-C 3.27Å; R252-L347 PolarHBondContact NH2-O 2.71Å
253Y94.9Very high95.8Very high10 Ų1033.4 Ų33.44%0.03917%0.174CC..  trans-124.3109.2-175.5-61.2-69.5000110.9I249 G255 F256 L334 L345 D355 V356 T357I249-Y253 HydrophobicContact CB-CD2 4.43Å; I249-Y253 HydrophobicContact CG2-CD2 3.53Å; I249-Y253 HydrophobicContact CG2-CE2 3.93Å; I249-Y253 VanDerWaalsContact O-CD2 3.25Å; I249-Y253 WeakPolarHBondContact O-CD2 3.45Å; I249-Y253 PolarHBondContact O-N 3.03Å; Y253-G255 PolarHBondContact O-N 3.47Å; Y253-G255 VanDerWaalsContact O-N 3.12Å; Y253-F256 PolarHBondContact O-N 3Å; Y253-L334 HydrophobicContact CD1-CD2 4.22Å; Y253-L334 HydrophobicContact CD2-CD1 4.2Å; Y253-L334 HydrophobicContact CD2-CD2 4.19Å; Y253-L334 HydrophobicContact CE1-CD2 3.84Å; Y253-L334 HydrophobicContact CE2-CD1 4.34Å; Y253-L334 HydrophobicContact CE2-CD2 3.76Å; Y253-L334 HydrophobicContact CG-CD2 4.4Å; Y253-L345 PolarHBondContact OH-O 3.41Å; Y253-D355 WeakPolarHBondContact CA-OD2 3.28Å; Y253-D355 VanDerWaalsContact CD1-OD1 3.28Å; Y253-D355 WeakPolarHBondContact CD1-OD1 3.24Å; Y253-V356 HydrophobicContact CE1-CG2 3.78Å; Y253-T357 HydrophobicContact CD1-CG2 3.61Å; Y253-T357 HydrophobicContact CE1-CG2 3.99Å; Y253-T357 HydrophobicContact CG-CG2 4.47Å
254K92.8Very high95.8Very high118 Ų11833.5 Ų33.551%0.51318%0.175SC..G310 helixtrans-60.6-29.4-171.7-61.1-165.2-158.81260113.4F256 D257 D355 E358K254-F256 PolarHBondContact O-N 3.05Å; K254-D257 WeakPolarHBondContact O-CB 3.46Å; K254-D257 PolarHBondContact O-N 3.32Å; K254-D355 PolarHBondContact N-OD2 3.38Å; K254-E358 VanDerWaalsContact CD-OE1 3.31Å; K254-E358 WeakPolarHBondContact CD-OE1 3.23Å; K254-E358 WeakPolarHBondContact CE-OE1 3.46Å; K254-E358 VanDerWaalsContact NZ-CD 3.29Å; K254-E358 IonicContact NZ-OE1 2.71Å; K254-E358 PolarHBondContact NZ-OE1 3.15Å; K254-E358 IonicContact NZ-OE2 3.55Å; K254-E358 PolarHBondContact NZ-OE2 3.09Å
255G93Very high95.8Very high7 Ų732.1 Ų32.17%0.07217%0.17CC..G310 helixtrans-67.3-817900000114.9Y253 S326 I327 T330Y253-G255 PolarHBondContact O-N 3.47Å; Y253-G255 VanDerWaalsContact O-N 3.12Å; G255-S326 WeakPolarHBondContact CA-OG 3.48Å; G255-S326 CarbonylContact O-C 3.6Å; G255-I327 WeakPolarHBondContact O-CA 3.13Å; G255-I327 WeakPolarHBondContact O-CG1 3.21Å; G255-I327 PolarHBondContact O-N 2.74Å; G255-T330 VanDerWaalsContact CA-OG1 3.29Å; G255-T330 WeakPolarHBondContact CA-OG1 3.49Å
256F96Very high95.7Very high0 Ų032.5 Ų32.50%017%0.172CC..G310 helixtrans-97.35.6168.4-71-19000113.9I249 K250 Y253 K254 S258 L259 L290 L293 I327 T330 A331 L334I249-F256 HydrophobicContact CG2-CD2 3.82Å; I249-F256 HydrophobicContact CG2-CE2 3.73Å; K250-F256 HydrophobicContact CB-CB 4.27Å; K250-F256 HydrophobicContact CG-CB 4.27Å; K250-F256 PolarHBondContact NZ-O 3.17Å; Y253-F256 PolarHBondContact O-N 3Å; K254-F256 PolarHBondContact O-N 3.05Å; F256-S258 PolarHBondContact O-N 3.03Å; F256-S258 VanDerWaalsContact O-N 3.16Å; F256-L259 HydrophobicContact CB-CD1 4Å; F256-L259 HydrophobicContact CD1-CD1 3.76Å; F256-L259 HydrophobicContact CE1-CD1 4.34Å; F256-L259 HydrophobicContact CG-CD1 3.85Å; F256-L259 WeakPolarHBondContact O-CB 3.3Å; F256-L259 PolarHBondContact O-N 3.36Å; F256-L290 HydrophobicContact CE2-CD2 4.33Å; F256-L290 HydrophobicContact CZ-CD2 4.07Å; F256-L293 HydrophobicContact CE1-CD1 4Å; F256-L293 HydrophobicContact CZ-CD1 4.09Å; F256-I327 HydrophobicContact CD1-CB 4.4Å; F256-I327 HydrophobicContact CD1-CG1 4.42Å; F256-I327 HydrophobicContact CD1-CG2 4.05Å; F256-I327 HydrophobicContact CE1-CG2 3.99Å; F256-I327 WeakPolarHBondContact CE1-O 3.24Å; F256-T330 HydrophobicContact CD1-CG2 3.87Å; F256-T330 HydrophobicContact CD2-CG2 4.17Å; F256-T330 HydrophobicContact CE1-CG2 3.7Å; F256-T330 HydrophobicContact CE2-CG2 4.01Å; F256-T330 HydrophobicContact CG-CG2 4.11Å; F256-T330 HydrophobicContact CZ-CG2 3.78Å; F256-A331 HydrophobicContact CE1-CB 4.2Å; F256-A331 HydrophobicContact CZ-CB 4.13Å; F256-L334 HydrophobicContact CE2-CD1 3.55Å; F256-L334 HydrophobicContact CZ-CD1 3.85Å
257D95.1Very high95.6Very high102 Ų10232.5 Ų32.555%0.54517%0.172SC..THydrogen-bonded Turntrans-59.4-28.6-176.4-77.1-15.1000114.1K250 K254K250-D257 PolarHBondContact NZ-O 3.01Å; K254-D257 WeakPolarHBondContact O-CB 3.46Å; K254-D257 PolarHBondContact O-N 3.32Å
258S96.1Very high95.5Very high21 Ų2131 Ų3115%0.14717%0.166CC..THydrogen-bonded Turntrans-82-13.7176.859.20000114F256 N260 M263 I327F256-S258 PolarHBondContact O-N 3.03Å; F256-S258 VanDerWaalsContact O-N 3.16Å; S258-N260 PolarHBondContact O-N 3.01Å; S258-M263 WeakPolarHBondContact O-CE 3.14Å; S258-I327 WeakPolarHBondContact OG-CD1 3.25Å
259L96.3Very high95.5Very high0 Ų032 Ų320%017%0.17CC..  trans-68.195.4174-70.7177.6000111.2K250 F256 M263 I264 L293 L298 I327K250-L259 WeakPolarHBondContact CD-O 3.24Å; K250-L259 WeakPolarHBondContact CE-O 3.36Å; K250-L259 PolarHBondContact NZ-O 2.65Å; F256-L259 HydrophobicContact CB-CD1 4Å; F256-L259 HydrophobicContact CD1-CD1 3.76Å; F256-L259 HydrophobicContact CE1-CD1 4.34Å; F256-L259 HydrophobicContact CG-CD1 3.85Å; F256-L259 WeakPolarHBondContact O-CB 3.3Å; F256-L259 PolarHBondContact O-N 3.36Å; L259-M263 HydrophobicContact CD2-SD 4.5Å; L259-I264 HydrophobicContact CB-CD1 4.33Å; L259-I264 HydrophobicContact CB-CG1 4.17Å; L259-L293 HydrophobicContact CD1-CD1 4.08Å; L259-L298 HydrophobicContact CD2-CD1 4.14Å; L259-I327 HydrophobicContact CD1-CG2 4.23Å; L259-I327 HydrophobicContact CD2-CD1 3.58Å; L259-I327 HydrophobicContact CD2-CG1 4.19Å; L259-I327 HydrophobicContact CD2-CG2 4.17Å; L259-I327 HydrophobicContact CG-CD1 3.79Å; L259-I327 HydrophobicContact CG-CG1 3.96Å; L259-I327 HydrophobicContact CG-CG2 4.31Å
260N94.6Very high95.2Very high67 Ų6737 Ų3736%0.35819%0.189SC..  trans-64.2157.9172.775.543.3000111.7S258 W262 M263 I264S258-N260 PolarHBondContact O-N 3.01Å; N260-W262 PolarHBondContact O-N 3.35Å; N260-W262 WeakPolarHBondContact OD1-CB 3.43Å; N260-W262 PolarHBondContact OD1-N 2.84Å; N260-W262 VanDerWaalsContact OD1-N 3.09Å; N260-M263 HydrophobicContact CB-CE 4.02Å; N260-M263 VanDerWaalsContact CG-CE 3.49Å; N260-M263 VanDerWaalsContact N-CE 3.3Å; N260-M263 WeakPolarHBondContact ND2-CE 3.25Å; N260-M263 PolarHBondContact O-N 3.33Å; N260-M263 PolarHBondContact OD1-N 3.06Å; N260-I264 PolarHBondContact O-N 2.82Å
261P94.9Very high95Very high73 Ų7335.1 Ų35.147%0.47418%0.181SC..Hα-helixtrans-57.2-34.3-177.4-27.936.1000114.5I264 E265P261-I264 PolarHBondContact O-N 2.81Å; P261-E265 VanDerWaalsContact O-CG 3.31Å; P261-E265 WeakPolarHBondContact O-CG 3.33Å; P261-E265 PolarHBondContact O-N 3.4Å
262W96.4Very high94.8Very high20 Ų2031 Ų318%0.07615%0.152CC..Hα-helixtrans-68.6-43.3-180179.4-128000112.2H226 W229 N260 I264 E265 V266 D307 P308 C309H226-W262 HydrophobicContact CB-CD2 4.2Å; H226-W262 HydrophobicContact CB-CE3 3.62Å; H226-W262 HydrophobicContact CB-CH2 3.96Å; H226-W262 HydrophobicContact CB-CZ2 4.47Å; H226-W262 HydrophobicContact CB-CZ3 3.5Å; H226-W262 VanDerWaalsContact CB-CZ3 3.5Å; H226-W262 AromaticContact CD2-CD2 3.6Å; H226-W262 AromaticContact CD2-CE2 3.29Å; H226-W262 AromaticContact CD2-CE3 3.91Å; H226-W262 AromaticContact CD2-CH2 3.67Å; H226-W262 AromaticContact CD2-CZ2 3.32Å; H226-W262 WeakPolarHBondContact CD2-CZ2 3.31Å; H226-W262 AromaticContact CD2-CZ3 3.95Å; H226-W262 AromaticContact CD2-NE1 3.75Å; H226-W262 AromaticContact CE1-CD1 3.58Å; H226-W262 AromaticContact CE1-CD2 3.71Å; H226-W262 AromaticContact CE1-CE2 3.85Å; H226-W262 AromaticContact CE1-CG 3.55Å; H226-W262 AromaticContact CE1-NE1 3.73Å; H226-W262 AromaticContact CG-CD2 3.54Å; H226-W262 AromaticContact CG-CE2 3.76Å; H226-W262 AromaticContact CG-CE3 3.51Å; H226-W262 AromaticContact CG-CH2 3.93Å; H226-W262 AromaticContact CG-CZ2 3.95Å; H226-W262 AromaticContact CG-CZ3 3.72Å; H226-W262 AromaticContact ND1-CD2 3.62Å; H226-W262 AromaticContact ND1-CE3 3.87Å; H226-W262 AromaticContact ND1-CG 3.72Å; H226-W262 AromaticContact NE2-CD1 3.66Å; H226-W262 AromaticContact NE2-CD2 3.74Å; H226-W262 AromaticContact NE2-CE2 3.39Å; H226-W262 AromaticContact NE2-CG 3.9Å; H226-W262 AromaticContact NE2-CZ2 3.86Å; H226-W262 AromaticContact NE2-NE1 3.31Å; H226-W262 PolarHBondContact NE2-NE1 3.13Å; W229-W262 HydrophobicContact CB-CH2 4.27Å; W229-W262 AromaticContact CD2-CH2 3.77Å; W229-W262 HydrophobicContact CD2-CH2 3.77Å; W229-W262 HydrophobicContact CD2-CZ3 4.4Å; W229-W262 AromaticContact CE3-CH2 3.4Å; W229-W262 HydrophobicContact CE3-CH2 3.4Å; W229-W262 VanDerWaalsContact CE3-CH2 3.4Å; W229-W262 AromaticContact CE3-CZ3 3.59Å; W229-W262 HydrophobicContact CE3-CZ3 3.59Å; W229-W262 HydrophobicContact CG-CH2 4.14Å; W229-W262 AromaticContact CZ3-CH2 3.99Å; W229-W262 HydrophobicContact CZ3-CH2 3.99Å; W229-W262 AromaticContact CZ3-CZ3 3.97Å; W229-W262 HydrophobicContact CZ3-CZ3 3.97Å; N260-W262 PolarHBondContact O-N 3.35Å; N260-W262 WeakPolarHBondContact OD1-CB 3.43Å; N260-W262 PolarHBondContact OD1-N 2.84Å; N260-W262 VanDerWaalsContact OD1-N 3.09Å; W262-I264 VanDerWaalsContact C-N 3.29Å; W262-I264 PolarHBondContact O-N 3.3Å; W262-E265 HydrophobicContact CE3-CB 4.29Å; W262-E265 PolarHBondContact O-N 2.96Å; W262-E265 VanDerWaalsContact O-N 3.17Å; W262-V266 HydrophobicContact CD2-CG2 3.89Å; W262-V266 HydrophobicContact CE3-CG2 4.13Å; W262-V266 HydrophobicContact CH2-CG2 3.94Å; W262-V266 HydrophobicContact CZ2-CG2 3.68Å; W262-V266 HydrophobicContact CZ3-CG2 4.15Å; W262-V266 WeakPolarHBondContact O-CG2 3.18Å; W262-V266 PolarHBondContact O-N 2.94Å; W262-D307 WeakPolarHBondContact CZ2-OD1 3.4Å; W262-D307 VanDerWaalsContact NE1-CG 3.29Å; W262-D307 PolarHBondContact NE1-OD1 3.25Å; W262-D307 PolarHBondContact NE1-OD2 2.98Å; W262-P308 HydrophobicContact CH2-CG 4.06Å; W262-P308 HydrophobicContact CZ2-CG 3.73Å; W262-C309 HydrophobicContact CZ2-CB 4.28Å
263M96.2Very high94.5Very high2 Ų231.3 Ų31.31%0.0116%0.162CC..Hα-helixtrans-57.2-44.2173.3-76.1-168.8-81.700111.2S258 L259 N260 E265 L267 I315 H316 L319S258-M263 WeakPolarHBondContact O-CE 3.14Å; L259-M263 HydrophobicContact CD2-SD 4.5Å; N260-M263 HydrophobicContact CB-CE 4.02Å; N260-M263 VanDerWaalsContact CG-CE 3.49Å; N260-M263 VanDerWaalsContact N-CE 3.3Å; N260-M263 WeakPolarHBondContact ND2-CE 3.25Å; N260-M263 PolarHBondContact O-N 3.33Å; N260-M263 PolarHBondContact OD1-N 3.06Å; M263-E265 PolarHBondContact O-N 3.44Å; M263-L267 HydrophobicContact CB-CD1 4.48Å; M263-L267 VanDerWaalsContact O-CB 3.25Å; M263-L267 WeakPolarHBondContact O-CB 3.44Å; M263-L267 WeakPolarHBondContact O-CD1 3.46Å; M263-L267 WeakPolarHBondContact O-CG 3.26Å; M263-L267 PolarHBondContact O-N 3.15Å; M263-I315 HydrophobicContact CG-CB 4.14Å; M263-I315 HydrophobicContact CG-CD1 4.48Å; M263-I315 HydrophobicContact CG-CG1 4.31Å; M263-I315 WeakPolarHBondContact CG-O 3.34Å; M263-I315 VanDerWaalsContact SD-O 3.39Å; M263-H316 HydrophobicContact SD-CB 4.26Å; M263-L319 HydrophobicContact CE-CD1 4.12Å; M263-L319 HydrophobicContact CE-CD2 3.8Å; M263-L319 HydrophobicContact CE-CG 4.13Å; M263-L319 HydrophobicContact SD-CD1 3.93Å; M263-L319 HydrophobicContact SD-CG 4.28Å
264I97.6Very high93.8Very high1 Ų132.4 Ų32.41%0.00517%0.171CC..Hα-helixtrans-58.7-49.2176.5-66.3167.9000110.4V243 V246 K247 K250 L259 N260 P261 W262 V266 V268V243-I264 HydrophobicContact CG1-CG2 4.38Å; V243-I264 HydrophobicContact CG2-CG2 4.39Å; V246-I264 HydrophobicContact CB-CG2 3.96Å; V246-I264 HydrophobicContact CG1-CB 4.41Å; V246-I264 HydrophobicContact CG1-CD1 4.06Å; V246-I264 HydrophobicContact CG1-CG1 3.96Å; V246-I264 HydrophobicContact CG1-CG2 3.61Å; K247-I264 HydrophobicContact CG-CD1 4.38Å; K250-I264 HydrophobicContact CD-CD1 4.05Å; L259-I264 HydrophobicContact CB-CD1 4.33Å; L259-I264 HydrophobicContact CB-CG1 4.17Å; N260-I264 PolarHBondContact O-N 2.82Å; P261-I264 PolarHBondContact O-N 2.81Å; W262-I264 VanDerWaalsContact C-N 3.29Å; W262-I264 PolarHBondContact O-N 3.3Å; I264-V266 PolarHBondContact O-N 3.29Å; I264-V268 HydrophobicContact CG2-CG2 4.16Å; I264-V268 VanDerWaalsContact O-CB 3.24Å; I264-V268 WeakPolarHBondContact O-CB 3.28Å; I264-V268 WeakPolarHBondContact O-CG2 3.14Å; I264-V268 PolarHBondContact O-N 3.19Å
265E97.4Very high92.9Very high4 Ų427.4 Ų27.42%0.01915%0.149CC..Hα-helixtrans-60.2-47.7-178.3-70.8169.8-170.700112.4K129 F230 V243 P261 W262 M263 H269K129-E265 WeakPolarHBondContact CD-OE1 3.42Å; K129-E265 VanDerWaalsContact NZ-CD 3.29Å; K129-E265 IonicContact NZ-OE1 2.79Å; K129-E265 PolarHBondContact NZ-OE1 2.99Å; K129-E265 VanDerWaalsContact NZ-OE1 3.14Å; K129-E265 IonicContact NZ-OE2 3.17Å; K129-E265 PolarHBondContact NZ-OE2 3.09Å; F230-E265 HydrophobicContact CD2-CB 4.21Å; F230-E265 HydrophobicContact CD2-CG 4.08Å; F230-E265 HydrophobicContact CE2-CB 4.24Å; F230-E265 HydrophobicContact CE2-CG 3.92Å; V243-E265 HydrophobicContact CG1-CG 4.28Å; V243-E265 HydrophobicContact CG2-CG 4.26Å; P261-E265 VanDerWaalsContact O-CG 3.31Å; P261-E265 WeakPolarHBondContact O-CG 3.33Å; P261-E265 PolarHBondContact O-N 3.4Å; W262-E265 HydrophobicContact CE3-CB 4.29Å; W262-E265 PolarHBondContact O-N 2.96Å; W262-E265 VanDerWaalsContact O-N 3.17Å; M263-E265 PolarHBondContact O-N 3.44Å; E265-H269 VanDerWaalsContact O-CB 3.28Å; E265-H269 WeakPolarHBondContact O-CB 3.23Å; E265-H269 PolarHBondContact O-N 3.45Å
266V95.4Very high91.6Very high8 Ų830.4 Ų30.45%0.04817%0.168CC..Hα-helixtrans-67.1-45.1-179.2177.20000111.6W229 W262 I264 H269 Y270 L305 P308 I315W229-V266 HydrophobicContact CH2-CG2 4.31Å; W229-V266 HydrophobicContact CZ3-CG2 4.41Å; W262-V266 HydrophobicContact CD2-CG2 3.89Å; W262-V266 HydrophobicContact CE3-CG2 4.13Å; W262-V266 HydrophobicContact CH2-CG2 3.94Å; W262-V266 HydrophobicContact CZ2-CG2 3.68Å; W262-V266 HydrophobicContact CZ3-CG2 4.15Å; W262-V266 WeakPolarHBondContact O-CG2 3.18Å; W262-V266 PolarHBondContact O-N 2.94Å; I264-V266 PolarHBondContact O-N 3.29Å; V266-H269 PolarHBondContact O-N 2.97Å; V266-Y270 WeakPolarHBondContact O-CB 3.25Å; V266-Y270 PolarHBondContact O-N 2.64Å; V266-L305 HydrophobicContact CG1-CD2 4.11Å; V266-P308 HydrophobicContact CG2-CG 4.21Å; V266-I315 HydrophobicContact CB-CD1 4.22Å; V266-I315 HydrophobicContact CB-CG2 4.47Å; V266-I315 HydrophobicContact CG1-CD1 4.07Å; V266-I315 HydrophobicContact CG1-CG2 4.22Å; V266-I315 HydrophobicContact CG2-CG2 4.45Å
267L95.4Very high90.2Very high0 Ų031.8 Ų31.80%018%0.175CC..Hα-helixtrans-65-40.3179.3-71.1167.8000112M263 S271 F289 L292 L293 L298 L305 I315M263-L267 HydrophobicContact CB-CD1 4.48Å; M263-L267 VanDerWaalsContact O-CB 3.25Å; M263-L267 WeakPolarHBondContact O-CB 3.44Å; M263-L267 WeakPolarHBondContact O-CD1 3.46Å; M263-L267 WeakPolarHBondContact O-CG 3.26Å; M263-L267 PolarHBondContact O-N 3.15Å; L267-S271 WeakPolarHBondContact O-CB 3.4Å; L267-S271 PolarHBondContact O-N 3.05Å; L267-S271 PolarHBondContact O-OG 3.02Å; L267-F289 HydrophobicContact CB-CD2 3.95Å; L267-F289 HydrophobicContact CB-CE2 3.72Å; L267-F289 HydrophobicContact CD1-CE2 4.31Å; L267-L292 HydrophobicContact CD2-CD2 3.62Å; L267-L292 HydrophobicContact CD2-CG 4.43Å; L267-L293 HydrophobicContact CD1-CD2 3.87Å; L267-L298 HydrophobicContact CD1-CD2 4.42Å; L267-L298 HydrophobicContact CD2-CD2 4.2Å; L267-L305 HydrophobicContact CD2-CD1 3.77Å; L267-L305 HydrophobicContact CD2-CD2 4.21Å; L267-I315 HydrophobicContact CD1-CD1 4.5Å; L267-I315 HydrophobicContact CD2-CD1 4.02Å; L267-I315 HydrophobicContact CG-CD1 3.87Å
268V96.5Very high88.6Confident0 Ų034 Ų340%020%0.197CC..Hα-helixtrans-68.5-45.3176.9170.40000110.8V239 I242 V243 V246 I264 Y270 S271 V272 F289V239-V268 HydrophobicContact CB-CG1 4.5Å; V239-V268 HydrophobicContact CG1-CG1 4.05Å; I242-V268 HydrophobicContact CB-CG1 3.59Å; I242-V268 HydrophobicContact CB-CG2 4.49Å; I242-V268 HydrophobicContact CD1-CG1 4.45Å; I242-V268 HydrophobicContact CG2-CB 4.19Å; I242-V268 HydrophobicContact CG2-CG1 3.49Å; I242-V268 VanDerWaalsContact CG2-CG1 3.49Å; I242-V268 HydrophobicContact CG2-CG2 3.57Å; V243-V268 HydrophobicContact CG2-CB 4.05Å; V243-V268 HydrophobicContact CG2-CG1 3.98Å; V243-V268 HydrophobicContact CG2-CG2 4.29Å; V246-V268 HydrophobicContact CG2-CG2 4.38Å; I264-V268 HydrophobicContact CG2-CG2 4.16Å; I264-V268 VanDerWaalsContact O-CB 3.24Å; I264-V268 WeakPolarHBondContact O-CB 3.28Å; I264-V268 WeakPolarHBondContact O-CG2 3.14Å; I264-V268 PolarHBondContact O-N 3.19Å; V268-Y270 VanDerWaalsContact C-N 3.33Å; V268-Y270 PolarHBondContact O-N 3Å; V268-S271 PolarHBondContact O-N 2.9Å; V268-S271 VanDerWaalsContact O-N 3.12Å; V268-V272 WeakPolarHBondContact O-CG2 3.35Å; V268-V272 PolarHBondContact O-N 2.88Å; V268-F289 HydrophobicContact CG2-CD2 3.64Å; V268-F289 HydrophobicContact CG2-CE2 3.8Å; V268-F289 HydrophobicContact CG2-CG 4.29Å
269H94.6Very high87.4Confident35 Ų3536.5 Ų36.516%0.16222%0.215CC..Hα-helixtrans-53.8-51.8173.8165.9-94.4000110.5W229 F233 A234 E265 V266 S271 V272 T273W229-H269 HydrophobicContact CH2-CB 3.65Å; W229-H269 AromaticContact CH2-CG 3.52Å; W229-H269 AromaticContact CH2-ND1 3.7Å; W229-H269 HydrophobicContact CZ2-CB 4.47Å; W229-H269 AromaticContact CZ2-CE1 3.9Å; W229-H269 AromaticContact CZ2-CG 3.89Å; W229-H269 AromaticContact CZ2-ND1 3.64Å; W229-H269 HydrophobicContact CZ3-CB 4.47Å; F233-H269 PolarHBondContact O-CD2 2.74Å; F233-H269 PolarHBondContact O-NE2 2.87Å; A234-H269 HydrophobicContact CB-CB 4.32Å; E265-H269 VanDerWaalsContact O-CB 3.28Å; E265-H269 WeakPolarHBondContact O-CB 3.23Å; E265-H269 PolarHBondContact O-N 3.45Å; V266-H269 PolarHBondContact O-N 2.97Å; H269-S271 VanDerWaalsContact C-N 3.29Å; H269-S271 PolarHBondContact O-N 3.39Å; H269-V272 PolarHBondContact O-N 3.28Å; H269-V272 VanDerWaalsContact O-N 3.11Å; H269-T273 PolarHBondContact CE1-OG1 3.35Å; H269-T273 WeakPolarHBondContact NE2-CG2 3.28Å; H269-T273 PolarHBondContact O-N 3.5Å; H269-T273 PolarHBondContact O-OG1 3.16Å
270Y91.9Very high86.5Confident107 Ų10738.5 Ų38.542%0.4223%0.227SC..Hα-helixtrans-56.6-43.2176.9178.2-94.6000112V266 V268 V272 T273 S274 L292 L305V266-Y270 WeakPolarHBondContact O-CB 3.25Å; V266-Y270 PolarHBondContact O-N 2.64Å; V268-Y270 VanDerWaalsContact C-N 3.33Å; V268-Y270 PolarHBondContact O-N 3Å; Y270-V272 PolarHBondContact O-N 3.42Å; Y270-T273 PolarHBondContact O-N 3.37Å; Y270-S274 WeakPolarHBondContact O-CB 3.3Å; Y270-S274 PolarHBondContact O-N 3.17Å; Y270-S274 PolarHBondContact O-OG 2.85Å; Y270-L292 HydrophobicContact CD1-CD2 3.85Å; Y270-L292 HydrophobicContact CE1-CD1 4.45Å; Y270-L292 HydrophobicContact CE1-CD2 4.27Å; Y270-L305 HydrophobicContact CD1-CD2 4.39Å; Y270-L305 HydrophobicContact CD2-CD2 4.11Å; Y270-L305 HydrophobicContact CG-CD2 3.82Å
271S90.3Very high86.1Confident2 Ų236.3 Ų36.31%0.01422%0.215CC..Hα-helixtrans-64.7-29.2-179.2-58.40000113L267 V268 H269 I275 A285 F289L267-S271 WeakPolarHBondContact O-CB 3.4Å; L267-S271 PolarHBondContact O-N 3.05Å; L267-S271 PolarHBondContact O-OG 3.02Å; V268-S271 PolarHBondContact O-N 2.9Å; V268-S271 VanDerWaalsContact O-N 3.12Å; H269-S271 VanDerWaalsContact C-N 3.29Å; H269-S271 PolarHBondContact O-N 3.39Å; S271-I275 WeakPolarHBondContact O-CD1 3.42Å; S271-I275 WeakPolarHBondContact O-CG1 3.34Å; S271-A285 WeakPolarHBondContact CB-O 3.35Å; S271-F289 VanDerWaalsContact OG-CA 3.31Å; S271-F289 WeakPolarHBondContact OG-CA 3.19Å; S271-F289 PolarHBondContact OG-N 2.64Å
272V91.1Very high85.9Confident5 Ų533.7 Ų33.73%0.0320%0.197CC..Hα-helixtrans-83.1-48.2176.8168.40000111.8A238 V239 I242 V268 H269 Y270 T280 A285A238-V272 HydrophobicContact CB-CG1 4.49Å; A238-V272 HydrophobicContact CB-CG2 4.4Å; V239-V272 HydrophobicContact CG2-CB 4.06Å; V239-V272 HydrophobicContact CG2-CG1 4Å; V239-V272 HydrophobicContact CG2-CG2 4.02Å; I242-V272 HydrophobicContact CD1-CG2 3.93Å; V268-V272 WeakPolarHBondContact O-CG2 3.35Å; V268-V272 PolarHBondContact O-N 2.88Å; H269-V272 PolarHBondContact O-N 3.28Å; H269-V272 VanDerWaalsContact O-N 3.11Å; Y270-V272 PolarHBondContact O-N 3.42Å; V272-T280 HydrophobicContact CG1-CG2 3.87Å; V272-A285 HydrophobicContact CG2-CB 3.76Å
273T86.9Confident85.8Confident76 Ų7632.7 Ų32.747%0.46619%0.194SC..Hα-helixtrans-86.4-20.6-169.957.20000114.1H269 Y270 I275H269-T273 PolarHBondContact CE1-OG1 3.35Å; H269-T273 WeakPolarHBondContact NE2-CG2 3.28Å; H269-T273 PolarHBondContact O-N 3.5Å; H269-T273 PolarHBondContact O-OG1 3.16Å; Y270-T273 PolarHBondContact O-N 3.37Å; T273-I275 PolarHBondContact O-N 3.44Å
274S80.9Confident85.4Confident33 Ų3332.6 Ų32.623%0.23119%0.193CC..THydrogen-bonded Turntrans-73.6-3.6173.662.70000114Y270 P276 R288Y270-S274 WeakPolarHBondContact O-CB 3.3Å; Y270-S274 PolarHBondContact O-N 3.17Å; Y270-S274 PolarHBondContact O-OG 2.85Å; S274-P276 WeakPolarHBondContact O-CD 3.2Å; S274-R288 PolarHBondContact OG-NH2 2.81Å
275I73.5Confident85Confident12 Ų1232.6 Ų32.66%0.06219%0.193CC..  trans-82.1116.3177.7-58.2175.6000108.2S271 T273 L277 T280 A285S271-I275 WeakPolarHBondContact O-CD1 3.42Å; S271-I275 WeakPolarHBondContact O-CG1 3.34Å; T273-I275 PolarHBondContact O-N 3.44Å; I275-L277 HydrophobicContact CG2-CB 3.8Å; I275-L277 HydrophobicContact CG2-CD1 3.65Å; I275-L277 HydrophobicContact CG2-CG 3.58Å; I275-L277 PolarHBondContact O-N 3.45Å; I275-T280 HydrophobicContact CD1-CG2 4.41Å; I275-A285 HydrophobicContact CD1-CB 4Å
276P66.4Low84.9Confident70 Ų7032.4 Ų32.446%0.45519%0.192SC..  trans-77.734.1-175.634.5-36.5000113.2R55 L58 S274R55-P276 HydrophobicContact CG-CG 4.48Å; L58-P276 HydrophobicContact CD1-CG 4.33Å; S274-P276 WeakPolarHBondContact O-CD 3.2Å
277L66.9Low84.6Confident29 Ų2932 Ų3215%0.15219%0.19CC..SBendtrans-111.4148.6-173.5-60.9179.9000111.6K59 Q62 I275 S279K59-L277 HydrophobicContact CG-CD2 4.29Å; Q62-L277 HydrophobicContact CG-CD1 3.76Å; I275-L277 HydrophobicContact CG2-CB 3.8Å; I275-L277 HydrophobicContact CG2-CD1 3.65Å; I275-L277 HydrophobicContact CG2-CG 3.58Å; I275-L277 PolarHBondContact O-N 3.45Å; L277-S279 PolarHBondContact O-N 3.05Å
278C60.6Low84.4Confident149 Ų14933.9 Ų33.9100%1.00720%0.197SC*.SBendtrans-65.7-24.2178.4-59.60000113.3
279S71.2Confident84.2Confident74 Ų7433.9 Ų33.952%0.51720%0.197SC..SBendtrans-132.6125177.459.50000111.1L277 I281L277-S279 PolarHBondContact O-N 3.05Å; S279-I281 PolarHBondContact O-N 3.44Å
280T78Confident84.2Confident42 Ų4232.2 Ų32.226%0.25819%0.189SC..  trans-73.7120.6176-50.80000110.9A238 V272 I275 A285A238-T280 HydrophobicContact CB-CG2 4.2Å; V272-T280 HydrophobicContact CG1-CG2 3.87Å; I275-T280 HydrophobicContact CD1-CG2 4.41Å; T280-A285 HydrophobicContact CG2-CB 4.12Å
281I85.1Confident84.1Confident21 Ų2128.5 Ų28.511%0.10818%0.176CC..  trans-84.1112.9165.9-59.6167.8000107.9Q62 D67 S279 G283 L284 A285Q62-I281 HydrophobicContact CB-CD1 4.25Å; Q62-I281 HydrophobicContact CG-CD1 4.36Å; Q62-I281 WeakPolarHBondContact O-CD1 3.38Å; D67-I281 HydrophobicContact CB-CG2 4.19Å; S279-I281 PolarHBondContact O-N 3.44Å; I281-G283 VanDerWaalsContact C-N 3.33Å; I281-G283 PolarHBondContact O-N 3Å; I281-L284 HydrophobicContact CB-CB 3.97Å; I281-L284 HydrophobicContact CG2-CB 4.06Å; I281-L284 WeakPolarHBondContact O-CB 3.31Å; I281-L284 PolarHBondContact O-N 2.91Å; I281-L284 VanDerWaalsContact O-N 3.15Å; I281-A285 PolarHBondContact O-N 3.43Å
282V92.6Very high84.1Confident17 Ų1729.8 Ų29.810%0.10318%0.183CC..Hα-helixtrans-60.6-41.8-172.6-172.60000111.7T71 L74 A238 I241 I242 L284 A285 F286T71-V282 HydrophobicContact CG2-CB 4.06Å; T71-V282 HydrophobicContact CG2-CG2 4.3Å; L74-V282 HydrophobicContact CD1-CG1 4.14Å; A238-V282 HydrophobicContact CB-CG2 3.93Å; I241-V282 HydrophobicContact CG2-CG1 4.06Å; I242-V282 HydrophobicContact CD1-CG1 4Å; I242-V282 HydrophobicContact CG1-CG1 3.83Å; V282-L284 PolarHBondContact O-N 2.95Å; V282-A285 PolarHBondContact O-N 3Å; V282-F286 PolarHBondContact O-N 2.9Å
283G92.3Very high84.2Confident0 Ų029.8 Ų29.80%018%0.182CC..Hα-helixtrans-59.5-44.4175.300000112.7L70 T71 I281 F286 M287L70-G283 WeakPolarHBondContact CD2-O 3.49Å; T71-G283 WeakPolarHBondContact OG1-CA 3.39Å; T71-G283 PolarHBondContact OG1-N 3.21Å; I281-G283 VanDerWaalsContact C-N 3.33Å; I281-G283 PolarHBondContact O-N 3Å; G283-F286 PolarHBondContact O-N 3.16Å; G283-M287 WeakPolarHBondContact O-CG 3.29Å; G283-M287 PolarHBondContact O-N 3.15Å
284L88Confident84.4Confident0 Ų026.6 Ų26.60%016%0.163CC..Hα-helixtrans-63.6-43.1176.1179.660.3000111.6V53 L58 D67 I281 V282 F286 M287 R288V53-L284 HydrophobicContact CG1-CD1 4.16Å; L58-L284 HydrophobicContact CD2-CD1 4.37Å; L58-L284 HydrophobicContact CD2-CD2 4.07Å; D67-L284 HydrophobicContact CB-CB 4.35Å; I281-L284 HydrophobicContact CB-CB 3.97Å; I281-L284 HydrophobicContact CG2-CB 4.06Å; I281-L284 WeakPolarHBondContact O-CB 3.31Å; I281-L284 PolarHBondContact O-N 2.91Å; I281-L284 VanDerWaalsContact O-N 3.15Å; V282-L284 PolarHBondContact O-N 2.95Å; L284-F286 VanDerWaalsContact C-N 3.34Å; L284-F286 PolarHBondContact O-N 2.92Å; L284-M287 PolarHBondContact O-N 3.45Å; L284-R288 VanDerWaalsContact O-CG 3.3Å; L284-R288 WeakPolarHBondContact O-CG 3.37Å; L284-R288 PolarHBondContact O-N 3.25Å
285A90.8Very high84.6Confident0 Ų028.2 Ų28.20%018%0.175CC..Hα-helixtrans-63.2-39.2176.900000112.3I242 S271 V272 I275 T280 I281 V282 R288 F289I242-A285 HydrophobicContact CD1-CB 3.69Å; S271-A285 WeakPolarHBondContact CB-O 3.35Å; V272-A285 HydrophobicContact CG2-CB 3.76Å; I275-A285 HydrophobicContact CD1-CB 4Å; T280-A285 HydrophobicContact CG2-CB 4.12Å; I281-A285 PolarHBondContact O-N 3.43Å; V282-A285 PolarHBondContact O-N 3Å; A285-R288 PolarHBondContact O-N 3.28Å; A285-F289 PolarHBondContact O-N 3.12Å
286F94.7Very high85Confident0 Ų028.8 Ų28.80%018%0.178CC..Hα-helixtrans-65.2-42.4173.6176.1-101.6000112.4L70 L74 I242 V245 V246 I249 V282 G283 L284 R288 F289 L290 M338 V346 L347L70-F286 HydrophobicContact CD1-CD1 4.48Å; L70-F286 HydrophobicContact CD2-CD1 4.12Å; L74-F286 HydrophobicContact CD1-CB 3.65Å; L74-F286 HydrophobicContact CD1-CD1 4.31Å; L74-F286 HydrophobicContact CD1-CG 4.01Å; L74-F286 HydrophobicContact CD2-CB 4.49Å; L74-F286 HydrophobicContact CD2-CD1 4.43Å; L74-F286 HydrophobicContact CD2-CD2 4.15Å; L74-F286 HydrophobicContact CD2-CG 4.09Å; I242-F286 HydrophobicContact CD1-CB 4.39Å; I242-F286 HydrophobicContact CG1-CB 4.4Å; I242-F286 HydrophobicContact CG2-CD2 4.16Å; V245-F286 HydrophobicContact CG1-CE2 4.37Å; V246-F286 HydrophobicContact CG2-CD2 4.42Å; V246-F286 HydrophobicContact CG2-CE2 4.16Å; I249-F286 HydrophobicContact CD1-CE2 3.56Å; I249-F286 HydrophobicContact CD1-CZ 3.49Å; I249-F286 VanDerWaalsContact CD1-CZ 3.49Å; V282-F286 PolarHBondContact O-N 2.9Å; G283-F286 PolarHBondContact O-N 3.16Å; L284-F286 VanDerWaalsContact C-N 3.34Å; L284-F286 PolarHBondContact O-N 2.92Å; F286-R288 VanDerWaalsContact C-N 3.32Å; F286-R288 PolarHBondContact O-N 2.91Å; F286-F289 WeakPolarHBondContact O-CB 3.14Å; F286-F289 PolarHBondContact O-N 2.95Å; F286-L290 HydrophobicContact CD1-CD1 4.36Å; F286-L290 HydrophobicContact CE1-CD1 3.59Å; F286-L290 HydrophobicContact CE1-CG 4.44Å; F286-L290 HydrophobicContact CE2-CD1 4.42Å; F286-L290 HydrophobicContact CZ-CD1 3.62Å; F286-L290 HydrophobicContact CZ-CG 4.24Å; F286-L290 PolarHBondContact O-N 3.1Å; F286-L290 VanDerWaalsContact O-N 3.15Å; F286-M338 HydrophobicContact CE1-SD 4.11Å; F286-V346 HydrophobicContact CZ-CG1 4.39Å; F286-L347 HydrophobicContact CE1-CD2 4.06Å; F286-L347 HydrophobicContact CZ-CD2 3.96Å
287M89.9Confident86Confident1 Ų125.8 Ų25.81%0.00516%0.159CC..Hα-helixtrans-60.9-42.8174.6-73.4-60.8-67.500111.7Y48 F50 F66 L70 G283 L284 F289 L290 M291 L335 M338Y48-M287 HydrophobicContact CD1-CE 4.16Å; Y48-M287 HydrophobicContact CE1-CE 3.44Å; Y48-M287 VanDerWaalsContact CE1-CE 3.44Å; Y48-M287 WeakPolarHBondContact OH-CE 3.37Å; Y48-M287 WeakPolarHBondContact OH-CG 3.42Å; F50-M287 HydrophobicContact CE1-CE 3.87Å; F66-M287 HydrophobicContact CE1-SD 4.23Å; L70-M287 HydrophobicContact CD2-CG 3.44Å; L70-M287 VanDerWaalsContact CD2-CG 3.44Å; L70-M287 HydrophobicContact CD2-SD 3.75Å; G283-M287 WeakPolarHBondContact O-CG 3.29Å; G283-M287 PolarHBondContact O-N 3.15Å; L284-M287 PolarHBondContact O-N 3.45Å; M287-F289 VanDerWaalsContact C-N 3.3Å; M287-F289 PolarHBondContact O-N 2.89Å; M287-L290 PolarHBondContact O-N 3.08Å; M287-M291 WeakPolarHBondContact O-CB 3.44Å; M287-M291 VanDerWaalsContact O-CG 3.28Å; M287-M291 WeakPolarHBondContact O-CG 3.28Å; M287-M291 PolarHBondContact O-N 3.37Å; M287-L335 HydrophobicContact CE-CD2 3.79Å; M287-M338 HydrophobicContact CE-CE 3.75Å; M287-M338 HydrophobicContact CE-SD 4.5Å; M287-M338 HydrophobicContact SD-CE 3.31Å; M287-M338 WeakPolarHBondContact SD-CE 3.19Å; M287-M338 HydrophobicContact SD-SD 3.56Å
288R89.5Confident87.1Confident38 Ų3824.8 Ų24.814%0.14315%0.153CC..Hα-helixtrans-60.5-39.5175-73.3173.96371.50.4112.2V53 S274 L284 A285 F286 M291 L292V53-R288 HydrophobicContact CG1-CG 3.75Å; S274-R288 PolarHBondContact OG-NH2 2.81Å; L284-R288 VanDerWaalsContact O-CG 3.3Å; L284-R288 WeakPolarHBondContact O-CG 3.37Å; L284-R288 PolarHBondContact O-N 3.25Å; A285-R288 PolarHBondContact O-N 3.28Å; F286-R288 VanDerWaalsContact C-N 3.32Å; F286-R288 PolarHBondContact O-N 2.91Å; R288-M291 PolarHBondContact O-N 3.3Å; R288-L292 VanDerWaalsContact O-CB 3.29Å; R288-L292 WeakPolarHBondContact O-CB 3.49Å; R288-L292 PolarHBondContact O-N 3.04Å
289F93.8Very high88.2Confident1 Ų118.6 Ų18.60%0.00411%0.112CC..Hα-helixtrans-58.9-50175168.9-93.3000111.6V246 L267 V268 S271 A285 F286 M287 M291 L292 L293V246-F289 HydrophobicContact CB-CE1 4.39Å; V246-F289 HydrophobicContact CB-CZ 4.44Å; V246-F289 HydrophobicContact CG1-CE1 3.77Å; V246-F289 HydrophobicContact CG1-CE2 4.46Å; V246-F289 HydrophobicContact CG1-CZ 3.55Å; V246-F289 HydrophobicContact CG2-CD1 3.94Å; V246-F289 HydrophobicContact CG2-CE1 3.6Å; V246-F289 HydrophobicContact CG2-CZ 4Å; L267-F289 HydrophobicContact CB-CD2 3.95Å; L267-F289 HydrophobicContact CB-CE2 3.72Å; L267-F289 HydrophobicContact CD1-CE2 4.31Å; V268-F289 HydrophobicContact CG2-CD2 3.64Å; V268-F289 HydrophobicContact CG2-CE2 3.8Å; V268-F289 HydrophobicContact CG2-CG 4.29Å; S271-F289 VanDerWaalsContact OG-CA 3.31Å; S271-F289 WeakPolarHBondContact OG-CA 3.19Å; S271-F289 PolarHBondContact OG-N 2.64Å; A285-F289 PolarHBondContact O-N 3.12Å; F286-F289 WeakPolarHBondContact O-CB 3.14Å; F286-F289 PolarHBondContact O-N 2.95Å; M287-F289 VanDerWaalsContact C-N 3.3Å; M287-F289 PolarHBondContact O-N 2.89Å; F289-M291 PolarHBondContact O-N 2.96Å; F289-L292 PolarHBondContact O-N 3.47Å; F289-L293 HydrophobicContact CD1-CD1 4.41Å; F289-L293 HydrophobicContact CE1-CD1 3.66Å; F289-L293 HydrophobicContact CE2-CD1 4.26Å; F289-L293 HydrophobicContact CZ-CD1 3.57Å; F289-L293 HydrophobicContact CZ-CG 4.38Å; F289-L293 PolarHBondContact O-N 3.31Å; F289-L293 VanDerWaalsContact O-N 3.17Å
290L94.2Very high88.6Confident0 Ų016.9 Ų16.90%010%0.099CC..Hα-helixtrans-66.3-38.9178.1-71.8176.6000112.1F256 F286 M287 L292 L293 S294 L334 L335 M338F256-L290 HydrophobicContact CE2-CD2 4.33Å; F256-L290 HydrophobicContact CZ-CD2 4.07Å; F286-L290 HydrophobicContact CD1-CD1 4.36Å; F286-L290 HydrophobicContact CE1-CD1 3.59Å; F286-L290 HydrophobicContact CE1-CG 4.44Å; F286-L290 HydrophobicContact CE2-CD1 4.42Å; F286-L290 HydrophobicContact CZ-CD1 3.62Å; F286-L290 HydrophobicContact CZ-CG 4.24Å; F286-L290 PolarHBondContact O-N 3.1Å; F286-L290 VanDerWaalsContact O-N 3.15Å; M287-L290 PolarHBondContact O-N 3.08Å; L290-L292 PolarHBondContact O-N 3.37Å; L290-L293 PolarHBondContact O-N 3.4Å; L290-S294 WeakPolarHBondContact O-CB 3.27Å; L290-S294 PolarHBondContact O-N 3.09Å; L290-L334 HydrophobicContact CD2-CD1 4.28Å; L290-L335 HydrophobicContact CB-CD2 3.78Å; L290-L335 HydrophobicContact CB-CG 4.03Å; L290-M338 HydrophobicContact CD1-CE 3.33Å; L290-M338 HydrophobicContact CD1-SD 4.15Å
291M90.3Very high88.6Confident29 Ų2918 Ų1814%0.14311%0.105CC..Hα-helixtrans-61-43.6174.7-75.6177.1151.800112.4Y48 F50 V53 M287 R288 F289 L293 S294 S295 L335Y48-M291 HydrophobicContact CE1-CE 4.45Å; F50-M291 HydrophobicContact CB-CE 3.83Å; F50-M291 HydrophobicContact CD1-CE 3.33Å; F50-M291 HydrophobicContact CE1-CE 4.28Å; F50-M291 HydrophobicContact CG-CE 4.03Å; V53-M291 HydrophobicContact CB-CE 3.59Å; V53-M291 HydrophobicContact CB-SD 3.42Å; V53-M291 WeakPolarHBondContact CB-SD 3.43Å; V53-M291 HydrophobicContact CG1-CE 4.21Å; V53-M291 HydrophobicContact CG1-SD 3.42Å; V53-M291 WeakPolarHBondContact CG1-SD 3.42Å; V53-M291 HydrophobicContact CG2-CE 3.38Å; V53-M291 HydrophobicContact CG2-SD 3.77Å; M287-M291 WeakPolarHBondContact O-CB 3.44Å; M287-M291 VanDerWaalsContact O-CG 3.28Å; M287-M291 WeakPolarHBondContact O-CG 3.28Å; M287-M291 PolarHBondContact O-N 3.37Å; R288-M291 PolarHBondContact O-N 3.3Å; F289-M291 PolarHBondContact O-N 2.96Å; M291-L293 VanDerWaalsContact C-N 3.33Å; M291-L293 PolarHBondContact O-N 3.24Å; M291-S294 WeakPolarHBondContact CA-OG 3.23Å; M291-S294 PolarHBondContact O-N 3.15Å; M291-S294 VanDerWaalsContact O-N 3.12Å; M291-S294 PolarHBondContact O-OG 3.07Å; M291-S295 WeakPolarHBondContact O-CB 3.4Å; M291-S295 PolarHBondContact O-N 3.05Å; M291-S295 PolarHBondContact O-OG 3.03Å; M291-L335 HydrophobicContact CG-CD1 4.2Å; M291-L335 HydrophobicContact CG-CD2 3.91Å
292L90.1Very high88.4Confident29 Ų2918.4 Ų18.415%0.15211%0.111CC..Hα-helixtrans-59.2-44.2177.2-178.765.9000111.2L267 Y270 R288 F289 L290 S294 S295 A297 L305L267-L292 HydrophobicContact CD2-CD2 3.62Å; L267-L292 HydrophobicContact CD2-CG 4.43Å; Y270-L292 HydrophobicContact CD1-CD2 3.85Å; Y270-L292 HydrophobicContact CE1-CD1 4.45Å; Y270-L292 HydrophobicContact CE1-CD2 4.27Å; R288-L292 VanDerWaalsContact O-CB 3.29Å; R288-L292 WeakPolarHBondContact O-CB 3.49Å; R288-L292 PolarHBondContact O-N 3.04Å; F289-L292 PolarHBondContact O-N 3.47Å; L290-L292 PolarHBondContact O-N 3.37Å; L292-S294 VanDerWaalsContact C-N 3.35Å; L292-S295 PolarHBondContact O-N 2.96Å; L292-S295 PolarHBondContact O-OG 3.12Å; L292-S295 VanDerWaalsContact O-OG 3.05Å; L292-A297 HydrophobicContact CD1-CB 3.59Å; L292-A297 HydrophobicContact CG-CB 3.97Å; L292-A297 WeakPolarHBondContact O-CB 3.31Å; L292-L305 HydrophobicContact CD2-CD1 4.36Å
293L93.2Very high87.8Confident4 Ų424 Ų242%0.02114%0.138CC..Hα-helixtrans-65.1-39.4174.6-68.4-178000112.1F256 L259 L267 F289 L290 M291 S295 L298 I327 A331F256-L293 HydrophobicContact CE1-CD1 4Å; F256-L293 HydrophobicContact CZ-CD1 4.09Å; L259-L293 HydrophobicContact CD1-CD1 4.08Å; L267-L293 HydrophobicContact CD1-CD2 3.87Å; F289-L293 HydrophobicContact CD1-CD1 4.41Å; F289-L293 HydrophobicContact CE1-CD1 3.66Å; F289-L293 HydrophobicContact CE2-CD1 4.26Å; F289-L293 HydrophobicContact CZ-CD1 3.57Å; F289-L293 HydrophobicContact CZ-CG 4.38Å; F289-L293 PolarHBondContact O-N 3.31Å; F289-L293 VanDerWaalsContact O-N 3.17Å; L290-L293 PolarHBondContact O-N 3.4Å; M291-L293 VanDerWaalsContact C-N 3.33Å; M291-L293 PolarHBondContact O-N 3.24Å; L293-S295 VanDerWaalsContact C-N 3.28Å; L293-S295 PolarHBondContact O-N 3.21Å; L293-L298 HydrophobicContact CD2-CD1 3.66Å; L293-L298 HydrophobicContact CD2-CG 4.15Å; L293-I327 HydrophobicContact CB-CG2 4.33Å; L293-I327 HydrophobicContact CD1-CG2 4.12Å; L293-I327 HydrophobicContact CD2-CG2 3.78Å; L293-I327 HydrophobicContact CG-CG2 4.31Å; L293-A331 HydrophobicContact CB-CB 3.49Å; L293-A331 VanDerWaalsContact CB-CB 3.49Å
294S90.2Very high87.3Confident9 Ų924.8 Ų24.86%0.06315%0.147CC..Hα-helixtrans-68.7-24.7-179.881.20000114L290 M291 L292 N296 Q332 L335L290-S294 WeakPolarHBondContact O-CB 3.27Å; L290-S294 PolarHBondContact O-N 3.09Å; M291-S294 WeakPolarHBondContact CA-OG 3.23Å; M291-S294 PolarHBondContact O-N 3.15Å; M291-S294 VanDerWaalsContact O-N 3.12Å; M291-S294 PolarHBondContact O-OG 3.07Å; L292-S294 VanDerWaalsContact C-N 3.35Å; S294-N296 VanDerWaalsContact C-N 3.28Å; S294-N296 PolarHBondContact O-N 3.04Å; S294-Q332 PolarHBondContact O-NE2 3.17Å; S294-L335 VanDerWaalsContact OG-CD1 3.31Å; S294-L335 WeakPolarHBondContact OG-CD1 3.47Å
295S85.1Confident87.2Confident68 Ų6825.7 Ų25.748%0.47615%0.152SC..THydrogen-bonded Turntrans-89.521.6-172.373.90000113.8M291 L292 L293 A297M291-S295 WeakPolarHBondContact O-CB 3.4Å; M291-S295 PolarHBondContact O-N 3.05Å; M291-S295 PolarHBondContact O-OG 3.03Å; L292-S295 PolarHBondContact O-N 2.96Å; L292-S295 PolarHBondContact O-OG 3.12Å; L292-S295 VanDerWaalsContact O-OG 3.05Å; L293-S295 VanDerWaalsContact C-N 3.28Å; L293-S295 PolarHBondContact O-N 3.21Å; S295-A297 PolarHBondContact O-N 3.24Å
296N83.2Confident87.1Confident23 Ų2331.1 Ų31.112%0.12318%0.175CC..THydrogen-bonded Turntrans63.224.6179.7-154.648.6000114.2L19 S294 L298 S299 R328L19-N296 HydrophobicContact CD1-CB 3.66Å; L19-N296 HydrophobicContact CD2-CB 3.87Å; L19-N296 WeakPolarHBondContact CD2-ND2 3.13Å; L19-N296 HydrophobicContact CG-CB 4.35Å; S294-N296 VanDerWaalsContact C-N 3.28Å; S294-N296 PolarHBondContact O-N 3.04Å; N296-L298 PolarHBondContact O-N 2.89Å; N296-S299 WeakPolarHBondContact ND2-CB 3.39Å; N296-S299 PolarHBondContact ND2-OG 2.98Å; N296-S299 VanDerWaalsContact ND2-OG 3.11Å; N296-S299 VanDerWaalsContact O-CB 3.24Å; N296-S299 WeakPolarHBondContact O-CB 3.42Å; N296-S299 PolarHBondContact O-N 3.5Å; N296-S299 VanDerWaalsContact O-N 3.16Å; N296-S299 VanDerWaalsContact OD1-CB 3.25Å; N296-S299 WeakPolarHBondContact OD1-CB 3.43Å; N296-R328 WeakPolarHBondContact OD1-CD 3.24Å
297A86.8Confident87Confident7 Ų731.9 Ų31.96%0.05818%0.179CC..THydrogen-bonded Turntrans-65.7-20.3-175.900000114.3L292 S295 S302 G304L292-A297 HydrophobicContact CD1-CB 3.59Å; L292-A297 HydrophobicContact CG-CB 3.97Å; L292-A297 WeakPolarHBondContact O-CB 3.31Å; S295-A297 PolarHBondContact O-N 3.24Å; A297-S302 WeakPolarHBondContact O-CB 3.43Å; A297-S302 PolarHBondContact O-OG 3.4Å; A297-G304 VanDerWaalsContact O-CA 3.26Å; A297-G304 WeakPolarHBondContact O-CA 3.34Å
298L89.7Confident87.1Confident8 Ų834.7 Ų34.74%0.04220%0.198CC..THydrogen-bonded Turntrans-98.27.9178.6-53.8-173.2000113.2L259 L267 L293 N296 H316 L319 M324 I327L259-L298 HydrophobicContact CD2-CD1 4.14Å; L267-L298 HydrophobicContact CD1-CD2 4.42Å; L267-L298 HydrophobicContact CD2-CD2 4.2Å; L293-L298 HydrophobicContact CD2-CD1 3.66Å; L293-L298 HydrophobicContact CD2-CG 4.15Å; N296-L298 PolarHBondContact O-N 2.89Å; L298-H316 HydrophobicContact CB-CB 4.06Å; L298-H316 HydrophobicContact CD2-CB 4.05Å; L298-H316 HydrophobicContact CG-CB 4.46Å; L298-H316 PolarHBondContact O-CD2 3.43Å; L298-L319 HydrophobicContact CD1-CD1 4.46Å; L298-M324 VanDerWaalsContact O-CG 3.31Å; L298-M324 WeakPolarHBondContact O-CG 3.47Å; L298-I327 HydrophobicContact CD1-CD1 4.2Å; L298-I327 HydrophobicContact CD1-CG2 4.15Å
299S84.1Confident87.3Confident19 Ų1934.7 Ų34.713%0.13320%0.203CC..SBendtrans-77.3154.5-177.8-172.40000112.3N296 V301 S302N296-S299 WeakPolarHBondContact ND2-CB 3.39Å; N296-S299 PolarHBondContact ND2-OG 2.98Å; N296-S299 VanDerWaalsContact ND2-OG 3.11Å; N296-S299 VanDerWaalsContact O-CB 3.24Å; N296-S299 WeakPolarHBondContact O-CB 3.42Å; N296-S299 PolarHBondContact O-N 3.5Å; N296-S299 VanDerWaalsContact O-N 3.16Å; N296-S299 VanDerWaalsContact OD1-CB 3.25Å; N296-S299 WeakPolarHBondContact OD1-CB 3.43Å; S299-V301 PolarHBondContact O-N 2.92Å; S299-V301 VanDerWaalsContact O-N 3.12Å; S299-S302 VanDerWaalsContact O-CB 3.3Å; S299-S302 WeakPolarHBondContact O-CB 3.22Å; S299-S302 PolarHBondContact O-N 3.34Å
300P79.4Confident87Confident38 Ų3837 Ų3725%0.24722%0.215CC..THydrogen-bonded Turntrans-59.1-30.4-179.1-23.134.1000113.7S302 R314 L321 M324 L387P300-S302 VanDerWaalsContact C-N 3.33Å; P300-R314 PolarHBondContact O-NH1 3.24Å; P300-L321 HydrophobicContact CG-CD2 3.36Å; P300-M324 VanDerWaalsContact CD-SD 3.58Å; P300-M324 HydrophobicContact CG-CE 4.49Å; P300-M324 HydrophobicContact CG-SD 3.93Å; P300-L387 HydrophobicContact CB-CD2 4.15Å; P300-L387 HydrophobicContact CG-CD2 3.89Å
301V78Confident86.4Confident65 Ų6540.8 Ų40.839%0.39425%0.247SC..THydrogen-bonded Turntrans-80.2-13.4177.4-61.40000114S299 Y386 L390S299-V301 PolarHBondContact O-N 2.92Å; S299-V301 VanDerWaalsContact O-N 3.12Å; V301-Y386 HydrophobicContact CG1-CE1 4.02Å; V301-Y386 WeakPolarHBondContact CG1-OH 3.3Å; V301-L390 HydrophobicContact CG1-CD1 3.29Å; V301-L390 HydrophobicContact CG1-CD2 3.65Å; V301-L390 HydrophobicContact CG1-CG 4.11Å
302S81.4Confident86.1Confident31 Ų3143.8 Ų43.822%0.21728%0.276CS..SBendtrans-78143.9174.5-166.80000109.8A297 S299 P300 G304 R314A297-S302 WeakPolarHBondContact O-CB 3.43Å; A297-S302 PolarHBondContact O-OG 3.4Å; S299-S302 VanDerWaalsContact O-CB 3.3Å; S299-S302 WeakPolarHBondContact O-CB 3.22Å; S299-S302 PolarHBondContact O-N 3.34Å; P300-S302 VanDerWaalsContact C-N 3.33Å; S302-G304 PolarHBondContact O-N 3.47Å; S302-G304 PolarHBondContact OG-N 3.45Å; S302-G304 VanDerWaalsContact OG-N 3.13Å; S302-R314 PolarHBondContact O-NH1 3.38Å
303I79.4Confident85.9Confident133 Ų13345 Ų4568%0.68229%0.285SS*.  trans-57.3-32.7163.2-164.9167.9000110.4F306 R314I303-F306 HydrophobicContact CG1-CE2 4.31Å; I303-R314 WeakPolarHBondContact O-CD 3.26Å
304G81.3Confident85.7Confident17 Ų1749 Ų4918%0.17530%0.3CS..  trans54.9-148.6-178.700000113.4A297 S302A297-G304 VanDerWaalsContact O-CA 3.26Å; A297-G304 WeakPolarHBondContact O-CA 3.34Å; S302-G304 PolarHBondContact O-N 3.47Å; S302-G304 PolarHBondContact OG-N 3.45Å; S302-G304 VanDerWaalsContact OG-N 3.13Å
305L86.3Confident85.8Confident20 Ų2049.3 Ų49.311%0.10530%0.3CS..  trans-117.5130.4176.8-71.784.5000109.7V266 L267 Y270 L292 R314 I315V266-L305 HydrophobicContact CG1-CD2 4.11Å; L267-L305 HydrophobicContact CD2-CD1 3.77Å; L267-L305 HydrophobicContact CD2-CD2 4.21Å; Y270-L305 HydrophobicContact CD1-CD2 4.39Å; Y270-L305 HydrophobicContact CD2-CD2 4.11Å; Y270-L305 HydrophobicContact CG-CD2 3.82Å; L292-L305 HydrophobicContact CD2-CD1 4.36Å; L305-R314 WeakPolarHBondContact O-CA 3.25Å; L305-I315 HydrophobicContact CB-CD1 3.82Å; L305-I315 HydrophobicContact CB-CG1 4.17Å; L305-I315 PolarHBondContact O-N 3.12Å
306F88.9Confident86Confident114 Ų11446 Ų4650%0.528%0.278SS..EExtended strand (participates in β ladder)trans-73.9148.5170.2-69.1-78.2000110.7I303 P308 A311 T313 R314I303-F306 HydrophobicContact CG1-CE2 4.31Å; F306-P308 WeakPolarHBondContact O-CD 3.39Å; F306-A311 VanDerWaalsContact CD1-O 3.3Å; F306-A311 WeakPolarHBondContact CD1-O 3.36Å; F306-T313 CarbonylContact C-O 3.46Å; F306-T313 WeakPolarHBondContact CA-O 3.41Å; F306-R314 HydrophobicContact CD1-CG 4.31Å; F306-R314 HydrophobicContact CE1-CG 4.23Å
307D91.4Very high86.3Confident15 Ų1547.4 Ų47.48%0.0830%0.297CS..EExtended strand (participates in β ladder)trans-72117.5173.8-170.7-33.9000109.1W262 C309 N310 A311 T313 I315W262-D307 WeakPolarHBondContact CZ2-OD1 3.4Å; W262-D307 VanDerWaalsContact NE1-CG 3.29Å; W262-D307 PolarHBondContact NE1-OD1 3.25Å; W262-D307 PolarHBondContact NE1-OD2 2.98Å; D307-C309 PolarHBondContact O-N 3.09Å; D307-C309 WeakPolarHBondContact OD1-CA 3.42Å; D307-C309 WeakPolarHBondContact OD1-CB 3.33Å; D307-C309 PolarHBondContact OD1-N 3.03Å; D307-N310 HydrophobicContact CB-CB 4.34Å; D307-N310 CarbonylContact O-C 3.2Å; D307-N310 PolarHBondContact O-N 3.31Å; D307-N310 PolarHBondContact OD1-N 3.39Å; D307-A311 PolarHBondContact O-N 3.3Å; D307-T313 WeakPolarHBondContact CB-OG1 3.27Å; D307-T313 PolarHBondContact N-O 3.34Å; D307-I315 HydrophobicContact CB-CG2 4Å
308P93.1Very high86.3Confident61 Ų6156.1 Ų56.140%0.39633%0.334SS..THydrogen-bonded Turntrans-67.9-15.3-178.929.3-35.7000113.2W229 W262 V266 F306W229-P308 HydrophobicContact CD2-CG 3.97Å; W229-P308 HydrophobicContact CG-CB 4.46Å; W229-P308 HydrophobicContact CG-CG 4.21Å; W229-P308 HydrophobicContact CZ2-CB 4.41Å; W229-P308 HydrophobicContact CZ2-CG 3.88Å; W229-P308 VanDerWaalsContact NE1-CB 3.32Å; W262-P308 HydrophobicContact CH2-CG 4.06Å; W262-P308 HydrophobicContact CZ2-CG 3.73Å; V266-P308 HydrophobicContact CG2-CG 4.21Å; F306-P308 WeakPolarHBondContact O-CD 3.39Å
309C93.2Very high86.4Confident38 Ų3856.9 Ų56.926%0.25734%0.337SS..THydrogen-bonded Turntrans-96.5-8.9173.7-64.40000112.6M222 W262 D307M222-C309 HydrophobicContact CE-CB 3.51Å; W262-C309 HydrophobicContact CZ2-CB 4.28Å; D307-C309 PolarHBondContact O-N 3.09Å; D307-C309 WeakPolarHBondContact OD1-CA 3.42Å; D307-C309 WeakPolarHBondContact OD1-CB 3.33Å; D307-C309 PolarHBondContact OD1-N 3.03Å
310N88.6Confident86.7Confident48 Ų4858 Ų5826%0.25735%0.346SS..EExtended strand (participates in β ladder)trans-152.685.3175.1-176.1-9.1000110.5M222 D307 A312 T313M222-N310 HydrophobicContact CE-CB 4.12Å; D307-N310 HydrophobicContact CB-CB 4.34Å; D307-N310 CarbonylContact O-C 3.2Å; D307-N310 PolarHBondContact O-N 3.31Å; D307-N310 PolarHBondContact OD1-N 3.39Å; N310-A312 PolarHBondContact O-N 3.12Å; N310-T313 PolarHBondContact O-N 3.49Å; N310-T313 PolarHBondContact O-OG1 3.35Å
311A80.1Confident86.9Confident80 Ų8057.6 Ų57.666%0.66134%0.341SS*.EExtended strand (participates in β ladder)trans-58.9-21.4-169.800000114.7F306 D307 T313F306-A311 VanDerWaalsContact CD1-O 3.3Å; F306-A311 WeakPolarHBondContact CD1-O 3.36Å; D307-A311 PolarHBondContact O-N 3.3Å; A311-T313 PolarHBondContact O-N 2.67Å
312A83.7Confident87.4Confident92 Ų9257.8 Ų57.876%0.7634%0.338SS*.EExtended strand (participates in β ladder)trans-75.2-12.2177.100000113.4N310N310-A312 PolarHBondContact O-N 3.12Å
313T86.6Confident88Confident55 Ų5559.9 Ų59.934%0.33734%0.344SS..EExtended strand (participates in β ladder)trans-116.9140.7-171.163.10000112F306 D307 N310 A311F306-T313 CarbonylContact C-O 3.46Å; F306-T313 WeakPolarHBondContact CA-O 3.41Å; D307-T313 WeakPolarHBondContact CB-OG1 3.27Å; D307-T313 PolarHBondContact N-O 3.34Å; N310-T313 PolarHBondContact O-N 3.49Å; N310-T313 PolarHBondContact O-OG1 3.35Å; A311-T313 PolarHBondContact O-N 2.67Å
314R90Very high88.5Confident89 Ų8954.6 Ų54.634%0.33632%0.317SS..EExtended strand (participates in β ladder)trans-82.5140.4167.9-67.5-176.7-66.7176.6-3.9109.4P300 S302 I303 L305 F306 H316 G317P300-R314 PolarHBondContact O-NH1 3.24Å; S302-R314 PolarHBondContact O-NH1 3.38Å; I303-R314 WeakPolarHBondContact O-CD 3.26Å; L305-R314 WeakPolarHBondContact O-CA 3.25Å; F306-R314 HydrophobicContact CD1-CG 4.31Å; F306-R314 HydrophobicContact CE1-CG 4.23Å; R314-H316 PolarHBondContact O-N 3.2Å; R314-H316 VanDerWaalsContact O-N 3.11Å; R314-G317 PolarHBondContact O-N 3.43Å
315I91.8Very high88.9Confident14 Ų1454.3 Ų54.37%0.07231%0.311CS..THydrogen-bonded Turntrans-60.1-27.6-178.464175.7000113.4M263 V266 L267 L305 D307M263-I315 HydrophobicContact CG-CB 4.14Å; M263-I315 HydrophobicContact CG-CD1 4.48Å; M263-I315 HydrophobicContact CG-CG1 4.31Å; M263-I315 WeakPolarHBondContact CG-O 3.34Å; M263-I315 VanDerWaalsContact SD-O 3.39Å; V266-I315 HydrophobicContact CB-CD1 4.22Å; V266-I315 HydrophobicContact CB-CG2 4.47Å; V266-I315 HydrophobicContact CG1-CD1 4.07Å; V266-I315 HydrophobicContact CG1-CG2 4.22Å; V266-I315 HydrophobicContact CG2-CG2 4.45Å; L267-I315 HydrophobicContact CD1-CD1 4.5Å; L267-I315 HydrophobicContact CD2-CD1 4.02Å; L267-I315 HydrophobicContact CG-CD1 3.87Å; L305-I315 HydrophobicContact CB-CD1 3.82Å; L305-I315 HydrophobicContact CB-CG1 4.17Å; L305-I315 PolarHBondContact O-N 3.12Å; D307-I315 HydrophobicContact CB-CG2 4Å
316H90.2Very high89.2Confident0 Ų055.4 Ų55.40%032%0.321CS..THydrogen-bonded Turntrans-97.96.1178.361.9-84.1000112.9M263 L298 R314 K318 L319 M324M263-H316 HydrophobicContact SD-CB 4.26Å; L298-H316 HydrophobicContact CB-CB 4.06Å; L298-H316 HydrophobicContact CD2-CB 4.05Å; L298-H316 HydrophobicContact CG-CB 4.46Å; L298-H316 PolarHBondContact O-CD2 3.43Å; R314-H316 PolarHBondContact O-N 3.2Å; R314-H316 VanDerWaalsContact O-N 3.11Å; H316-K318 PolarHBondContact O-N 3.24Å; H316-L319 HydrophobicContact CB-CD1 3.95Å; H316-L319 HydrophobicContact CB-CG 4.36Å; H316-L319 WeakPolarHBondContact O-CB 3.29Å; H316-L319 PolarHBondContact O-N 3.1Å; H316-M324 WeakPolarHBondContact O-CE 3.4Å
317G87.5Confident89.5Confident51 Ų5150 Ų5053%0.52630%0.297SS..THydrogen-bonded Turntrans-63.7-14.3-172.500000114.8R314R314-G317 PolarHBondContact O-N 3.43Å
318K88.1Confident89.5Confident191 Ų19149.8 Ų49.883%0.8330%0.295SS*.THydrogen-bonded Turntrans-95.9-6.3176.1-65.7-175.7179.31770114.1H316H316-K318 PolarHBondContact O-N 3.24Å
319L91.5Very high89.4Confident23 Ų2347.7 Ų47.712%0.1228%0.28CS..  trans-75.1145.6-179.5-64.7-175.9000110.9M263 L298 H316 E323 M324 I327M263-L319 HydrophobicContact CE-CD1 4.12Å; M263-L319 HydrophobicContact CE-CD2 3.8Å; M263-L319 HydrophobicContact CE-CG 4.13Å; M263-L319 HydrophobicContact SD-CD1 3.93Å; M263-L319 HydrophobicContact SD-CG 4.28Å; L298-L319 HydrophobicContact CD1-CD1 4.46Å; H316-L319 HydrophobicContact CB-CD1 3.95Å; H316-L319 HydrophobicContact CB-CG 4.36Å; H316-L319 WeakPolarHBondContact O-CB 3.29Å; H316-L319 PolarHBondContact O-N 3.1Å; L319-E323 VanDerWaalsContact CA-OE2 3.27Å; L319-E323 WeakPolarHBondContact CA-OE2 3.31Å; L319-E323 HydrophobicContact CB-CB 4.32Å; L319-E323 HydrophobicContact CD2-CB 4.35Å; L319-E323 WeakPolarHBondContact CD2-OE2 3.18Å; L319-M324 HydrophobicContact CB-CE 3.83Å; L319-M324 HydrophobicContact CB-CG 3.77Å; L319-M324 HydrophobicContact CD1-CG 4.19Å; L319-M324 WeakPolarHBondContact O-CE 3.44Å; L319-I327 HydrophobicContact CD1-CD1 3.67Å
320S89.6Confident89.4Confident44 Ų4446.3 Ų46.331%0.30827%0.27SS..  trans-73.9166165.998.60000110.8E322 E323 M324S320-E322 VanDerWaalsContact C-N 3.32Å; S320-E322 VanDerWaalsContact CB-OE2 3.32Å; S320-E322 WeakPolarHBondContact CB-OE2 3.16Å; S320-E322 PolarHBondContact O-N 2.97Å; S320-E322 PolarHBondContact OG-N 3.37Å; S320-E322 PolarHBondContact OG-OE2 2.68Å; S320-E323 PolarHBondContact N-OE2 3.11Å; S320-E323 PolarHBondContact O-N 2.92Å; S320-E323 PolarHBondContact OG-N 2.86Å; S320-E323 VanDerWaalsContact OG-N 3.12Å; S320-M324 VanDerWaalsContact O-CG 3.25Å; S320-M324 WeakPolarHBondContact O-CG 3.3Å; S320-M324 PolarHBondContact O-N 3.35Å
321L85.3Confident89.7Confident28 Ų2844 Ų4415%0.14726%0.258CS..Hα-helixtrans-64.1-40.6175-66-170.7000112.7P300 E323 M324 N325 I375 L387P300-L321 HydrophobicContact CG-CD2 3.36Å; L321-E323 VanDerWaalsContact C-N 3.28Å; L321-E323 PolarHBondContact O-N 2.97Å; L321-M324 HydrophobicContact CD2-SD 4.3Å; L321-M324 PolarHBondContact O-N 2.86Å; L321-N325 WeakPolarHBondContact O-CB 3.33Å; L321-N325 PolarHBondContact O-N 3.19Å; L321-I375 HydrophobicContact CB-CD1 3.6Å; L321-I375 HydrophobicContact CD1-CD1 4.3Å; L321-L387 HydrophobicContact CD1-CD1 3.16Å; L321-L387 HydrophobicContact CD1-CD2 3.99Å; L321-L387 HydrophobicContact CD1-CG 3.59Å; L321-L387 HydrophobicContact CD2-CD1 3.9Å; L321-L387 HydrophobicContact CD2-CD2 3.81Å; L321-L387 HydrophobicContact CD2-CG 4.29Å; L321-L387 HydrophobicContact CG-CD1 3.62Å; L321-L387 HydrophobicContact CG-CD2 4.39Å; L321-L387 HydrophobicContact CG-CG 4.34Å
322E88.5Confident90.2Very high70 Ų7040.2 Ų40.233%0.32723%0.227SC..Hα-helixtrans-60.8-43.1177.7-57.486166.300109.7S320 N325 S326 I375 R380S320-E322 VanDerWaalsContact C-N 3.32Å; S320-E322 VanDerWaalsContact CB-OE2 3.32Å; S320-E322 WeakPolarHBondContact CB-OE2 3.16Å; S320-E322 PolarHBondContact O-N 2.97Å; S320-E322 PolarHBondContact OG-N 3.37Å; S320-E322 PolarHBondContact OG-OE2 2.68Å; E322-N325 PolarHBondContact O-N 3.12Å; E322-S326 VanDerWaalsContact O-CB 3.24Å; E322-S326 WeakPolarHBondContact O-CB 3.39Å; E322-S326 PolarHBondContact O-N 3.13Å; E322-I375 HydrophobicContact CG-CG2 4.43Å; E322-R380 IonicContact OE1-CZ 3.33Å; E322-R380 IonicContact OE1-NH1 3.28Å; E322-R380 PolarHBondContact OE1-NH1 3.32Å; E322-R380 IonicContact OE1-NH2 3.75Å; E322-R380 PolarHBondContact OE1-NH2 3.01Å
323E92.7Very high90.7Very high75 Ų7536 Ų3635%0.3519%0.191SC..Hα-helixtrans-64-47.9175.3-70.1-179.7141.400112.4L319 S320 L321 N325 S326 I327L319-E323 VanDerWaalsContact CA-OE2 3.27Å; L319-E323 WeakPolarHBondContact CA-OE2 3.31Å; L319-E323 HydrophobicContact CB-CB 4.32Å; L319-E323 HydrophobicContact CD2-CB 4.35Å; L319-E323 WeakPolarHBondContact CD2-OE2 3.18Å; S320-E323 PolarHBondContact N-OE2 3.11Å; S320-E323 PolarHBondContact O-N 2.92Å; S320-E323 PolarHBondContact OG-N 2.86Å; S320-E323 VanDerWaalsContact OG-N 3.12Å; L321-E323 VanDerWaalsContact C-N 3.28Å; L321-E323 PolarHBondContact O-N 2.97Å; E323-N325 VanDerWaalsContact C-N 3.28Å; E323-N325 PolarHBondContact O-N 3.35Å; E323-S326 PolarHBondContact O-N 3.49Å; E323-I327 WeakPolarHBondContact O-CG1 3.45Å; E323-I327 PolarHBondContact O-N 3.35Å
324M91.3Very high91.1Very high22 Ų2233.3 Ų33.311%0.10818%0.175CC..Hα-helixtrans-58.8-42.7176.4-68.5171.5-175.100111.5L298 P300 H316 L319 S320 L321 R328L298-M324 VanDerWaalsContact O-CG 3.31Å; L298-M324 WeakPolarHBondContact O-CG 3.47Å; P300-M324 VanDerWaalsContact CD-SD 3.58Å; P300-M324 HydrophobicContact CG-CE 4.49Å; P300-M324 HydrophobicContact CG-SD 3.93Å; H316-M324 WeakPolarHBondContact O-CE 3.4Å; L319-M324 HydrophobicContact CB-CE 3.83Å; L319-M324 HydrophobicContact CB-CG 3.77Å; L319-M324 HydrophobicContact CD1-CG 4.19Å; L319-M324 WeakPolarHBondContact O-CE 3.44Å; S320-M324 VanDerWaalsContact O-CG 3.25Å; S320-M324 WeakPolarHBondContact O-CG 3.3Å; S320-M324 PolarHBondContact O-N 3.35Å; L321-M324 HydrophobicContact CD2-SD 4.3Å; L321-M324 PolarHBondContact O-N 2.86Å; M324-R328 WeakPolarHBondContact O-CB 3.32Å; M324-R328 PolarHBondContact O-N 3.46Å; M324-R328 VanDerWaalsContact O-N 3.09Å
325N89.3Confident91.2Very high11 Ų1129.1 Ų29.16%0.05916%0.159CC..Hα-helixtrans-68.8-41.2179.6-176.152000112L321 E322 E323 R328 Q329 L374 I375L321-N325 WeakPolarHBondContact O-CB 3.33Å; L321-N325 PolarHBondContact O-N 3.19Å; E322-N325 PolarHBondContact O-N 3.12Å; E323-N325 VanDerWaalsContact C-N 3.28Å; E323-N325 PolarHBondContact O-N 3.35Å; N325-R328 PolarHBondContact O-N 2.92Å; N325-R328 PolarHBondContact OD1-NE 3.47Å; N325-R328 PolarHBondContact OD1-NH2 2.97Å; N325-Q329 PolarHBondContact ND2-NE2 3.48Å; N325-Q329 WeakPolarHBondContact O-CB 3.25Å; N325-Q329 VanDerWaalsContact O-CG 3.24Å; N325-Q329 WeakPolarHBondContact O-CG 3.24Å; N325-Q329 PolarHBondContact O-N 3.44Å; N325-Q329 PolarHBondContact O-NE2 2.99Å; N325-L374 PolarHBondContact ND2-N 3.18Å; N325-L374 WeakPolarHBondContact OD1-CB 3.4Å; N325-I375 HydrophobicContact CB-CD1 4.25Å
326S92.1Very high91.1Very high43 Ų4328.8 Ų28.830%0.30116%0.157SC..Hα-helixtrans-57.7-50.7175.3-166.50000110.8G255 E322 E323 R328 Q329 T330G255-S326 WeakPolarHBondContact CA-OG 3.48Å; G255-S326 CarbonylContact O-C 3.6Å; E322-S326 VanDerWaalsContact O-CB 3.24Å; E322-S326 WeakPolarHBondContact O-CB 3.39Å; E322-S326 PolarHBondContact O-N 3.13Å; E323-S326 PolarHBondContact O-N 3.49Å; S326-R328 VanDerWaalsContact C-N 3.34Å; S326-R328 PolarHBondContact O-N 2.91Å; S326-Q329 PolarHBondContact O-N 3.2Å; S326-T330 PolarHBondContact O-N 2.8Å; S326-T330 PolarHBondContact O-OG1 2.61Å; S326-T330 VanDerWaalsContact O-OG1 3.13Å
327I94.4Very high91.1Very high1 Ų128.8 Ų28.81%0.00516%0.157CC..Hα-helixtrans-56.2-48.7176.1-66.9162.1000111.2G255 F256 S258 L259 L293 L298 L319 E323 Q329 T330 A331G255-I327 WeakPolarHBondContact O-CA 3.13Å; G255-I327 WeakPolarHBondContact O-CG1 3.21Å; G255-I327 PolarHBondContact O-N 2.74Å; F256-I327 HydrophobicContact CD1-CB 4.4Å; F256-I327 HydrophobicContact CD1-CG1 4.42Å; F256-I327 HydrophobicContact CD1-CG2 4.05Å; F256-I327 HydrophobicContact CE1-CG2 3.99Å; F256-I327 WeakPolarHBondContact CE1-O 3.24Å; S258-I327 WeakPolarHBondContact OG-CD1 3.25Å; L259-I327 HydrophobicContact CD1-CG2 4.23Å; L259-I327 HydrophobicContact CD2-CD1 3.58Å; L259-I327 HydrophobicContact CD2-CG1 4.19Å; L259-I327 HydrophobicContact CD2-CG2 4.17Å; L259-I327 HydrophobicContact CG-CD1 3.79Å; L259-I327 HydrophobicContact CG-CG1 3.96Å; L259-I327 HydrophobicContact CG-CG2 4.31Å; L293-I327 HydrophobicContact CB-CG2 4.33Å; L293-I327 HydrophobicContact CD1-CG2 4.12Å; L293-I327 HydrophobicContact CD2-CG2 3.78Å; L293-I327 HydrophobicContact CG-CG2 4.31Å; L298-I327 HydrophobicContact CD1-CD1 4.2Å; L298-I327 HydrophobicContact CD1-CG2 4.15Å; L319-I327 HydrophobicContact CD1-CD1 3.67Å; E323-I327 WeakPolarHBondContact O-CG1 3.45Å; E323-I327 PolarHBondContact O-N 3.35Å; I327-Q329 PolarHBondContact O-N 3.42Å; I327-T330 PolarHBondContact O-N 3.11Å; I327-A331 WeakPolarHBondContact O-CB 3.43Å; I327-A331 PolarHBondContact O-N 3.35Å
328R91.8Very high91.3Very high9 Ų926.5 Ų26.53%0.03413%0.133CC..Hα-helixtrans-58.9-47.9-178.8-178.9-171.464.675-4.9111.6N296 M324 N325 S326 A331 Q332N296-R328 WeakPolarHBondContact OD1-CD 3.24Å; M324-R328 WeakPolarHBondContact O-CB 3.32Å; M324-R328 PolarHBondContact O-N 3.46Å; M324-R328 VanDerWaalsContact O-N 3.09Å; N325-R328 PolarHBondContact O-N 2.92Å; N325-R328 PolarHBondContact OD1-NE 3.47Å; N325-R328 PolarHBondContact OD1-NH2 2.97Å; S326-R328 VanDerWaalsContact C-N 3.34Å; S326-R328 PolarHBondContact O-N 2.91Å; R328-A331 PolarHBondContact O-N 2.84Å; R328-Q332 VanDerWaalsContact NH1-CD 3.29Å; R328-Q332 VanDerWaalsContact O-CG 3.28Å; R328-Q332 WeakPolarHBondContact O-CG 3.45Å; R328-Q332 PolarHBondContact O-N 2.75Å
329Q91Very high91.2Very high18 Ų1818.4 Ų18.48%0.08410%0.102CC..Hα-helixtrans-66.8-44.7-177.9-69.8174.912500111.4N325 S326 I327 A331 Q332 F333 I371 V372N325-Q329 PolarHBondContact ND2-NE2 3.48Å; N325-Q329 WeakPolarHBondContact O-CB 3.25Å; N325-Q329 VanDerWaalsContact O-CG 3.24Å; N325-Q329 WeakPolarHBondContact O-CG 3.24Å; N325-Q329 PolarHBondContact O-N 3.44Å; N325-Q329 PolarHBondContact O-NE2 2.99Å; S326-Q329 PolarHBondContact O-N 3.2Å; I327-Q329 PolarHBondContact O-N 3.42Å; Q329-A331 VanDerWaalsContact C-N 3.32Å; Q329-A331 PolarHBondContact O-N 3.11Å; Q329-Q332 WeakPolarHBondContact O-CB 3.36Å; Q329-Q332 PolarHBondContact O-N 2.98Å; Q329-Q332 VanDerWaalsContact O-N 3.13Å; Q329-F333 PolarHBondContact O-N 3.17Å; Q329-I371 HydrophobicContact CB-CB 4.35Å; Q329-I371 HydrophobicContact CB-CD1 4.03Å; Q329-I371 HydrophobicContact CB-CG2 4.23Å; Q329-I371 HydrophobicContact CG-CG2 3.92Å; Q329-I371 WeakPolarHBondContact O-CD1 3.07Å; Q329-V372 PolarHBondContact OE1-O 3.02Å
330T94.1Very high90.9Very high9 Ų917.9 Ų17.96%0.05510%0.099CC..Hα-helixtrans-57.5-46.1174.2-61.10000111.1G255 F256 S326 I327 Q332 F333 L334 T357G255-T330 VanDerWaalsContact CA-OG1 3.29Å; G255-T330 WeakPolarHBondContact CA-OG1 3.49Å; F256-T330 HydrophobicContact CD1-CG2 3.87Å; F256-T330 HydrophobicContact CD2-CG2 4.17Å; F256-T330 HydrophobicContact CE1-CG2 3.7Å; F256-T330 HydrophobicContact CE2-CG2 4.01Å; F256-T330 HydrophobicContact CG-CG2 4.11Å; F256-T330 HydrophobicContact CZ-CG2 3.78Å; S326-T330 PolarHBondContact O-N 2.8Å; S326-T330 PolarHBondContact O-OG1 2.61Å; S326-T330 VanDerWaalsContact O-OG1 3.13Å; I327-T330 PolarHBondContact O-N 3.11Å; T330-Q332 VanDerWaalsContact C-N 3.33Å; T330-Q332 PolarHBondContact O-N 3.49Å; T330-F333 PolarHBondContact O-N 3.44Å; T330-L334 HydrophobicContact CG2-CD1 4.09Å; T330-L334 HydrophobicContact CG2-CG 4.38Å; T330-L334 VanDerWaalsContact O-CG 3.27Å; T330-L334 WeakPolarHBondContact O-CG 3.41Å; T330-L334 PolarHBondContact O-N 2.74Å; T330-T357 HydrophobicContact CG2-CG2 4.23Å
331A94.3Very high90.7Very high0 Ų017.2 Ų17.20%010%0.099CC..Hα-helixtrans-60.6-40176.700000112.9F256 L293 I327 R328 Q329 L334 L335F256-A331 HydrophobicContact CE1-CB 4.2Å; F256-A331 HydrophobicContact CZ-CB 4.13Å; L293-A331 HydrophobicContact CB-CB 3.49Å; L293-A331 VanDerWaalsContact CB-CB 3.49Å; I327-A331 WeakPolarHBondContact O-CB 3.43Å; I327-A331 PolarHBondContact O-N 3.35Å; R328-A331 PolarHBondContact O-N 2.84Å; Q329-A331 VanDerWaalsContact C-N 3.32Å; Q329-A331 PolarHBondContact O-N 3.11Å; A331-L334 PolarHBondContact O-N 3.09Å; A331-L335 VanDerWaalsContact O-CG 3.3Å; A331-L335 WeakPolarHBondContact O-CG 3.43Å; A331-L335 PolarHBondContact O-N 3.29Å
332Q91.6Very high91Very high0 Ų016 Ų160%09%0.094CC..Hα-helixtrans-64-44175.7-72.8170.2-8.200112.4S294 R328 Q329 T330 L335 N336 I371S294-Q332 PolarHBondContact O-NE2 3.17Å; R328-Q332 VanDerWaalsContact NH1-CD 3.29Å; R328-Q332 VanDerWaalsContact O-CG 3.28Å; R328-Q332 WeakPolarHBondContact O-CG 3.45Å; R328-Q332 PolarHBondContact O-N 2.75Å; Q329-Q332 WeakPolarHBondContact O-CB 3.36Å; Q329-Q332 PolarHBondContact O-N 2.98Å; Q329-Q332 VanDerWaalsContact O-N 3.13Å; T330-Q332 VanDerWaalsContact C-N 3.33Å; T330-Q332 PolarHBondContact O-N 3.49Å; Q332-L335 PolarHBondContact O-N 3.22Å; Q332-N336 PolarHBondContact O-N 2.98Å; Q332-N336 VanDerWaalsContact O-N 3.13Å; Q332-I371 HydrophobicContact CB-CD1 3.91Å
333F93.2Very high91.2Very high2 Ų213.6 Ų13.61%0.0098%0.083CC..Hα-helixtrans-60.4-48.4176-172.3-80.6000111Q329 T330 L335 N336 L337 V356 T357 I361 L368 I371Q329-F333 PolarHBondContact O-N 3.17Å; T330-F333 PolarHBondContact O-N 3.44Å; F333-L335 PolarHBondContact O-N 3.15Å; F333-N336 PolarHBondContact O-N 3.46Å; F333-N336 VanDerWaalsContact O-N 3.17Å; F333-L337 HydrophobicContact CE1-CB 4.46Å; F333-L337 HydrophobicContact CE1-CD2 4.33Å; F333-L337 WeakPolarHBondContact O-CB 3.28Å; F333-L337 PolarHBondContact O-N 3.36Å; F333-V356 HydrophobicContact CE1-CB 4.2Å; F333-V356 HydrophobicContact CE1-CG2 3.94Å; F333-V356 WeakPolarHBondContact CE1-O 3.43Å; F333-V356 WeakPolarHBondContact CZ-O 3.34Å; F333-T357 HydrophobicContact CB-CG2 4.24Å; F333-T357 HydrophobicContact CD1-CG2 3.49Å; F333-T357 VanDerWaalsContact CD1-CG2 3.49Å; F333-T357 HydrophobicContact CE1-CG2 4.06Å; F333-T357 HydrophobicContact CG-CG2 3.96Å; F333-I361 HydrophobicContact CZ-CG2 4.31Å; F333-L368 HydrophobicContact CE2-CB 4.05Å; F333-L368 HydrophobicContact CZ-CB 4.05Å; F333-I371 HydrophobicContact CB-CD1 4.16Å; F333-I371 HydrophobicContact CD2-CG1 4.46Å
334L94.5Very high91.4Very high0 Ų013.9 Ų13.90%08%0.082CC..Hα-helixtrans-63.2-38.8-179.5-64177.8000112.4I249 Y253 F256 L290 T330 A331 N336 L337 M338 V346 T357I249-L334 HydrophobicContact CG2-CD1 4.16Å; Y253-L334 HydrophobicContact CD1-CD2 4.22Å; Y253-L334 HydrophobicContact CD2-CD1 4.2Å; Y253-L334 HydrophobicContact CD2-CD2 4.19Å; Y253-L334 HydrophobicContact CE1-CD2 3.84Å; Y253-L334 HydrophobicContact CE2-CD1 4.34Å; Y253-L334 HydrophobicContact CE2-CD2 3.76Å; Y253-L334 HydrophobicContact CG-CD2 4.4Å; F256-L334 HydrophobicContact CE2-CD1 3.55Å; F256-L334 HydrophobicContact CZ-CD1 3.85Å; L290-L334 HydrophobicContact CD2-CD1 4.28Å; T330-L334 HydrophobicContact CG2-CD1 4.09Å; T330-L334 HydrophobicContact CG2-CG 4.38Å; T330-L334 VanDerWaalsContact O-CG 3.27Å; T330-L334 WeakPolarHBondContact O-CG 3.41Å; T330-L334 PolarHBondContact O-N 2.74Å; A331-L334 PolarHBondContact O-N 3.09Å; L334-N336 VanDerWaalsContact C-N 3.34Å; L334-N336 PolarHBondContact O-N 3.3Å; L334-L337 PolarHBondContact O-N 2.85Å; L334-M338 WeakPolarHBondContact O-CG 3.31Å; L334-M338 PolarHBondContact O-N 3.17Å; L334-V346 HydrophobicContact CB-CG1 4.43Å; L334-V346 HydrophobicContact CB-CG2 4.38Å; L334-V346 HydrophobicContact CD2-CG1 4.32Å; L334-V346 HydrophobicContact CD2-CG2 3.98Å; L334-T357 HydrophobicContact CD2-CG2 4.16Å
335L92Very high91.5Very high1 Ų114 Ų141%0.0058%0.083CC..Hα-helixtrans-60.7-43.9173.9-73.4164.8000111.7F50 M287 L290 M291 S294 A331 Q332 F333 M338 A339F50-L335 HydrophobicContact CD1-CD2 4.4Å; F50-L335 HydrophobicContact CE1-CB 3.95Å; F50-L335 HydrophobicContact CE1-CD2 3.79Å; F50-L335 HydrophobicContact CE1-CG 4.4Å; F50-L335 HydrophobicContact CZ-CB 4.37Å; F50-L335 WeakPolarHBondContact CZ-O 3.22Å; M287-L335 HydrophobicContact CE-CD2 3.79Å; L290-L335 HydrophobicContact CB-CD2 3.78Å; L290-L335 HydrophobicContact CB-CG 4.03Å; M291-L335 HydrophobicContact CG-CD1 4.2Å; M291-L335 HydrophobicContact CG-CD2 3.91Å; S294-L335 VanDerWaalsContact OG-CD1 3.31Å; S294-L335 WeakPolarHBondContact OG-CD1 3.47Å; A331-L335 VanDerWaalsContact O-CG 3.3Å; A331-L335 WeakPolarHBondContact O-CG 3.43Å; A331-L335 PolarHBondContact O-N 3.29Å; Q332-L335 PolarHBondContact O-N 3.22Å; F333-L335 PolarHBondContact O-N 3.15Å; L335-M338 HydrophobicContact CD2-CE 3.72Å; L335-M338 HydrophobicContact CG-CE 4.31Å; L335-M338 PolarHBondContact O-N 3.41Å; L335-A339 PolarHBondContact O-N 3.02Å
336N90Very high91.8Very high6 Ų613.4 Ų13.43%0.0328%0.08CC..Hα-helixtrans-69.9-35.5178.2-76.1-2.7000112.7P24 I26 Q332 F333 L334 M338 A339 I340 L368P24-N336 HydrophobicContact CB-CB 4.41Å; P24-N336 VanDerWaalsContact CB-ND2 3.28Å; P24-N336 WeakPolarHBondContact CB-ND2 3.4Å; P24-N336 WeakPolarHBondContact CD-ND2 3.29Å; P24-N336 HydrophobicContact CG-CB 4.08Å; P24-N336 WeakPolarHBondContact CG-ND2 3.3Å; P24-N336 VanDerWaalsContact N-ND2 3.15Å; P24-N336 PolarHBondContact O-ND2 2.97Å; I26-N336 HydrophobicContact CD1-CB 4.47Å; I26-N336 HydrophobicContact CG1-CB 4.38Å; Q332-N336 PolarHBondContact O-N 2.98Å; Q332-N336 VanDerWaalsContact O-N 3.13Å; F333-N336 PolarHBondContact O-N 3.46Å; F333-N336 VanDerWaalsContact O-N 3.17Å; L334-N336 VanDerWaalsContact C-N 3.34Å; L334-N336 PolarHBondContact O-N 3.3Å; N336-M338 VanDerWaalsContact C-N 3.31Å; N336-M338 PolarHBondContact O-N 3.44Å; N336-A339 VanDerWaalsContact O-CB 3.3Å; N336-A339 WeakPolarHBondContact O-CB 3.47Å; N336-A339 PolarHBondContact O-N 3.46Å; N336-A339 VanDerWaalsContact O-N 3.15Å; N336-I340 PolarHBondContact O-N 2.95Å; N336-L368 HydrophobicContact CB-CD1 4.41Å; N336-L368 HydrophobicContact CB-CD2 3.95Å
337L91.2Very high92.1Very high0 Ų011.4 Ų11.40%07%0.066CC..Hα-helixtrans-59.9-43.1171.6-178.655.3000111.2F333 L334 A339 I340 G341 G342 L345 V346 V356 I361 L363 L368F333-L337 HydrophobicContact CE1-CB 4.46Å; F333-L337 HydrophobicContact CE1-CD2 4.33Å; F333-L337 WeakPolarHBondContact O-CB 3.28Å; F333-L337 PolarHBondContact O-N 3.36Å; L334-L337 PolarHBondContact O-N 2.85Å; L337-A339 VanDerWaalsContact C-N 3.34Å; L337-A339 PolarHBondContact O-N 3.13Å; L337-I340 HydrophobicContact CD1-CD1 4.37Å; L337-I340 HydrophobicContact CD1-CG1 4.41Å; L337-I340 VanDerWaalsContact O-CG1 3.29Å; L337-I340 WeakPolarHBondContact O-CG1 3.49Å; L337-I340 PolarHBondContact O-N 3.49Å; L337-G341 PolarHBondContact O-N 3.25Å; L337-G342 VanDerWaalsContact O-CA 3.3Å; L337-G342 WeakPolarHBondContact O-CA 3.31Å; L337-G342 PolarHBondContact O-N 3.1Å; L337-L345 HydrophobicContact CD2-CB 4.42Å; L337-V346 HydrophobicContact CB-CG2 4.18Å; L337-V346 HydrophobicContact CD2-CG2 3.69Å; L337-V346 HydrophobicContact CG-CG2 3.93Å; L337-V356 HydrophobicContact CD2-CG2 3.86Å; L337-I361 HydrophobicContact CD1-CG2 3.8Å; L337-L363 HydrophobicContact CD1-CD2 4.12Å; L337-L368 VanDerWaalsContact CA-CD1 3.45Å; L337-L368 HydrophobicContact CB-CD1 3.93Å; L337-L368 HydrophobicContact CD1-CD1 4.09Å
338M90.5Very high92.1Very high3 Ų311.8 Ų11.82%0.0157%0.07CC..Hα-helixtrans-63.9-38.8173.6-68.8-173.6-65.400112.4F66 F286 M287 L290 L334 L335 N336 I340 G341 H343 V346F66-M338 HydrophobicContact CZ-CB 4.33Å; F286-M338 HydrophobicContact CE1-SD 4.11Å; M287-M338 HydrophobicContact CE-CE 3.75Å; M287-M338 HydrophobicContact CE-SD 4.5Å; M287-M338 HydrophobicContact SD-CE 3.31Å; M287-M338 WeakPolarHBondContact SD-CE 3.19Å; M287-M338 HydrophobicContact SD-SD 3.56Å; L290-M338 HydrophobicContact CD1-CE 3.33Å; L290-M338 HydrophobicContact CD1-SD 4.15Å; L334-M338 WeakPolarHBondContact O-CG 3.31Å; L334-M338 PolarHBondContact O-N 3.17Å; L335-M338 HydrophobicContact CD2-CE 3.72Å; L335-M338 HydrophobicContact CG-CE 4.31Å; L335-M338 PolarHBondContact O-N 3.41Å; N336-M338 VanDerWaalsContact C-N 3.31Å; N336-M338 PolarHBondContact O-N 3.44Å; M338-I340 VanDerWaalsContact C-N 3.25Å; M338-I340 PolarHBondContact O-N 3.36Å; M338-G341 PolarHBondContact O-N 3.13Å; M338-H343 HydrophobicContact CB-CB 4.48Å; M338-H343 HydrophobicContact CG-CB 4.02Å; M338-V346 HydrophobicContact CG-CB 4.3Å; M338-V346 HydrophobicContact CG-CG2 3.85Å; M338-V346 HydrophobicContact SD-CG1 4.39Å
339A86.3Confident92.3Very high22 Ų2212.6 Ų12.618%0.1828%0.075CC..Hα-helixtrans-59.2-34.7179.800000113.4I26 F50 L335 N336 L337 G341I26-A339 HydrophobicContact CD1-CB 4.07Å; F50-A339 HydrophobicContact CE2-CB 3.57Å; F50-A339 HydrophobicContact CZ-CB 3.75Å; L335-A339 PolarHBondContact O-N 3.02Å; N336-A339 VanDerWaalsContact O-CB 3.3Å; N336-A339 WeakPolarHBondContact O-CB 3.47Å; N336-A339 PolarHBondContact O-N 3.46Å; N336-A339 VanDerWaalsContact O-N 3.15Å; L337-A339 VanDerWaalsContact C-N 3.34Å; L337-A339 PolarHBondContact O-N 3.13Å; A339-G341 VanDerWaalsContact C-N 3.32Å
340I85.4Confident92.5Very high11 Ų1115.7 Ų15.76%0.0569%0.093CC..THydrogen-bonded Turntrans-91.69.1177.567.3168.3000113.1I26 N336 L337 M338 L363 N364 F366 L368I26-I340 HydrophobicContact CD1-CG2 4.03Å; I26-I340 HydrophobicContact CG1-CG2 4.26Å; I26-I340 HydrophobicContact CG2-CG2 3.81Å; N336-I340 PolarHBondContact O-N 2.95Å; L337-I340 HydrophobicContact CD1-CD1 4.37Å; L337-I340 HydrophobicContact CD1-CG1 4.41Å; L337-I340 VanDerWaalsContact O-CG1 3.29Å; L337-I340 WeakPolarHBondContact O-CG1 3.49Å; L337-I340 PolarHBondContact O-N 3.49Å; M338-I340 VanDerWaalsContact C-N 3.25Å; M338-I340 PolarHBondContact O-N 3.36Å; I340-L363 HydrophobicContact CD1-CB 3.89Å; I340-L363 HydrophobicContact CD1-CD2 4.48Å; I340-L363 HydrophobicContact CG1-CD2 4.39Å; I340-N364 PolarHBondContact O-ND2 3.48Å; I340-F366 HydrophobicContact CB-CB 4.33Å; I340-F366 HydrophobicContact CB-CD2 4.09Å; I340-F366 HydrophobicContact CB-CG 4.45Å; I340-F366 HydrophobicContact CD1-CB 4.2Å; I340-F366 HydrophobicContact CG2-CB 3.85Å; I340-F366 HydrophobicContact CG2-CD2 3.86Å; I340-F366 HydrophobicContact CG2-CG 3.86Å; I340-L368 HydrophobicContact CD1-CD1 3.45Å; I340-L368 VanDerWaalsContact CD1-CD1 3.45Å; I340-L368 HydrophobicContact CD1-CG 3.72Å; I340-L368 HydrophobicContact CG1-CD1 4.04Å
341G86.2Confident92.2Very high31 Ų3124.8 Ų24.832%0.3213%0.131SC..THydrogen-bonded Turntrans96.94.5175.200000115.7L337 M338 A339 H343L337-G341 PolarHBondContact O-N 3.25Å; M338-G341 PolarHBondContact O-N 3.13Å; A339-G341 VanDerWaalsContact C-N 3.32Å; G341-H343 PolarHBondContact O-N 3.28Å; G341-H343 PolarHBondContact O-ND1 3.03Å; G341-H343 VanDerWaalsContact O-ND1 3.15Å
342G91Very high91.9Very high3 Ų327.4 Ų27.43%0.03115%0.149CC..THydrogen-bonded Turntrans-81.523.9-179.400000115.7L337 K344 L345 V346L337-G342 VanDerWaalsContact O-CA 3.3Å; L337-G342 WeakPolarHBondContact O-CA 3.31Å; L337-G342 PolarHBondContact O-N 3.1Å; G342-K344 VanDerWaalsContact C-N 3.32Å; G342-K344 PolarHBondContact O-N 2.95Å; G342-L345 WeakPolarHBondContact O-CB 3.32Å; G342-L345 PolarHBondContact O-N 3.28Å; G342-L345 VanDerWaalsContact O-N 3.15Å; G342-V346 PolarHBondContact O-N 3.42Å
343H93Very high91.8Very high19 Ų1933.3 Ų33.39%0.08819%0.19CC..Hα-helixtrans-61.7-36.4-177.557.6-78.1000113.2F66 M69 L70 D73 M338 G341 L345 V346 L347F66-H343 HydrophobicContact CE2-CB 4.37Å; F66-H343 AromaticContact CE2-ND1 3.91Å; F66-H343 HydrophobicContact CZ-CB 4.09Å; M69-H343 WeakPolarHBondContact CE-CE1 3.3Å; M69-H343 VanDerWaalsContact CE-NE2 3.26Å; M69-H343 WeakPolarHBondContact CE-NE2 3.35Å; L70-H343 HydrophobicContact CD1-CB 4.36Å; D73-H343 IonicContact OD2-CD2 3.97Å; D73-H343 PolarHBondContact OD2-CD2 2.97Å; D73-H343 VanDerWaalsContact OD2-CD2 3.23Å; D73-H343 IonicContact OD2-NE2 3.03Å; D73-H343 PolarHBondContact OD2-NE2 2.98Å; M338-H343 HydrophobicContact CB-CB 4.48Å; M338-H343 HydrophobicContact CG-CB 4.02Å; G341-H343 PolarHBondContact O-N 3.28Å; G341-H343 PolarHBondContact O-ND1 3.03Å; G341-H343 VanDerWaalsContact O-ND1 3.15Å; H343-L345 VanDerWaalsContact C-N 3.32Å; H343-L345 PolarHBondContact O-N 2.99Å; H343-V346 PolarHBondContact O-N 2.9Å; H343-L347 WeakPolarHBondContact O-CG 3.45Å; H343-L347 PolarHBondContact O-N 3.13Å
344K95.5Very high91.6Very high80 Ų8038.1 Ų38.135%0.34821%0.209SC..Hα-helixtrans-65.6-33.6175.1-69.4-175.1178-179.50113.2D73 G342 G348 L349 D350D73-K344 VanDerWaalsContact OD2-CE 3.28Å; D73-K344 WeakPolarHBondContact OD2-CE 3.35Å; G342-K344 VanDerWaalsContact C-N 3.32Å; G342-K344 PolarHBondContact O-N 2.95Å; K344-G348 PolarHBondContact O-N 3.25Å; K344-G348 VanDerWaalsContact O-N 3.08Å; K344-L349 HydrophobicContact CB-CB 4.14Å; K344-L349 HydrophobicContact CG-CB 4.47Å; K344-L349 HydrophobicContact CG-CD1 4.31Å; K344-L349 PolarHBondContact O-N 2.95Å; K344-D350 HydrophobicContact CB-CB 4.15Å; K344-D350 VanDerWaalsContact CB-OD2 3.22Å; K344-D350 WeakPolarHBondContact CB-OD2 3.5Å; K344-D350 PolarHBondContact O-N 2.89Å; K344-D350 VanDerWaalsContact O-N 3.1Å
345L95.2Very high91.4Very high24 Ų2439 Ų3913%0.12621%0.214CC..Hα-helixtrans-67.3-45.4171.8-67.5166.9000110.8R252 Y253 L337 G342 H343 L347 G348 D350 C352 I361 L363R252-L345 PolarHBondContact NH1-O 2.81Å; Y253-L345 PolarHBondContact OH-O 3.41Å; L337-L345 HydrophobicContact CD2-CB 4.42Å; G342-L345 WeakPolarHBondContact O-CB 3.32Å; G342-L345 PolarHBondContact O-N 3.28Å; G342-L345 VanDerWaalsContact O-N 3.15Å; H343-L345 VanDerWaalsContact C-N 3.32Å; H343-L345 PolarHBondContact O-N 2.99Å; L345-L347 VanDerWaalsContact C-N 3.26Å; L345-L347 PolarHBondContact O-N 2.69Å; L345-G348 PolarHBondContact O-N 3.28Å; L345-D350 HydrophobicContact CD2-CB 3.58Å; L345-D350 HydrophobicContact CG-CB 4Å; L345-C352 HydrophobicContact CD2-CB 4.43Å; L345-I361 HydrophobicContact CD1-CD1 3.68Å; L345-L363 HydrophobicContact CD1-CD2 4.18Å
346V95.6Very high91.4Very high0 Ų039 Ų390%021%0.214CC..Hα-helixtrans-56.8-42.7176.2174.30000110.9I249 R252 F286 L334 L337 M338 G342 H343 G348I249-V346 HydrophobicContact CD1-CG1 4.49Å; R252-V346 PolarHBondContact NH1-O 2.75Å; R252-V346 VanDerWaalsContact NH1-O 3.09Å; R252-V346 PolarHBondContact NH2-O 3.23Å; F286-V346 HydrophobicContact CZ-CG1 4.39Å; L334-V346 HydrophobicContact CB-CG1 4.43Å; L334-V346 HydrophobicContact CB-CG2 4.38Å; L334-V346 HydrophobicContact CD2-CG1 4.32Å; L334-V346 HydrophobicContact CD2-CG2 3.98Å; L337-V346 HydrophobicContact CB-CG2 4.18Å; L337-V346 HydrophobicContact CD2-CG2 3.69Å; L337-V346 HydrophobicContact CG-CG2 3.93Å; M338-V346 HydrophobicContact CG-CB 4.3Å; M338-V346 HydrophobicContact CG-CG2 3.85Å; M338-V346 HydrophobicContact SD-CG1 4.39Å; G342-V346 PolarHBondContact O-N 3.42Å; H343-V346 PolarHBondContact O-N 2.9Å; V346-G348 VanDerWaalsContact C-N 3.31Å; V346-G348 PolarHBondContact O-N 2.89Å
347L96.9Very high91.5Very high0 Ų039.6 Ų39.60%022%0.218CC..Hα-helixtrans-78.3-10.4179.4-64.2-179.6000114.1L70 D73 L74 R77 V245 R252 F286 H343 L345 L349L70-L347 HydrophobicContact CD1-CD1 3.89Å; D73-L347 HydrophobicContact CB-CD1 3.63Å; L74-L347 HydrophobicContact CD2-CD1 4.42Å; L74-L347 HydrophobicContact CD2-CD2 3.54Å; L74-L347 HydrophobicContact CG-CD1 4.25Å; L74-L347 HydrophobicContact CG-CD2 4.21Å; R77-L347 WeakPolarHBondContact CD-O 3.28Å; R77-L347 VanDerWaalsContact CG-O 3.23Å; R77-L347 WeakPolarHBondContact CG-O 3.49Å; R77-L347 PolarHBondContact NE-O 3.38Å; R77-L347 VanDerWaalsContact NE-O 3.09Å; V245-L347 HydrophobicContact CG1-CD2 3.83Å; R252-L347 VanDerWaalsContact NH2-C 3.27Å; R252-L347 PolarHBondContact NH2-O 2.71Å; F286-L347 HydrophobicContact CE1-CD2 4.06Å; F286-L347 HydrophobicContact CZ-CD2 3.96Å; H343-L347 WeakPolarHBondContact O-CG 3.45Å; H343-L347 PolarHBondContact O-N 3.13Å; L345-L347 VanDerWaalsContact C-N 3.26Å; L345-L347 PolarHBondContact O-N 2.69Å; L347-L349 VanDerWaalsContact C-N 3.28Å; L347-L349 HydrophobicContact CB-CD1 4.45Å; L347-L349 HydrophobicContact CB-CG 4.26Å; L347-L349 HydrophobicContact CD1-CD1 4.42Å
348G95.1Very high91.4Very high9 Ų944.3 Ų44.39%0.09324%0.24CC..THydrogen-bonded Turntrans74.716.6-176.700000114.2K344 L345 V346K344-G348 PolarHBondContact O-N 3.25Å; K344-G348 VanDerWaalsContact O-N 3.08Å; L345-G348 PolarHBondContact O-N 3.28Å; V346-G348 VanDerWaalsContact C-N 3.31Å; V346-G348 PolarHBondContact O-N 2.89Å
349L96.1Very high91.3Very high26 Ų2648 Ų4814%0.13627%0.265CS..SBendtrans-74.5-40.1170.4-68.1175.8000110.8D73 K76 R77 K344 L347D73-L349 HydrophobicContact CB-CD1 3.56Å; K76-L349 HydrophobicContact CB-CD2 4.31Å; K76-L349 HydrophobicContact CD-CD1 4.37Å; K76-L349 HydrophobicContact CD-CD2 3.82Å; K76-L349 HydrophobicContact CG-CD2 3.89Å; R77-L349 HydrophobicContact CB-CD2 4.01Å; R77-L349 HydrophobicContact CB-CG 4.36Å; K344-L349 HydrophobicContact CB-CB 4.14Å; K344-L349 HydrophobicContact CG-CB 4.47Å; K344-L349 HydrophobicContact CG-CD1 4.31Å; K344-L349 PolarHBondContact O-N 2.95Å; L347-L349 VanDerWaalsContact C-N 3.28Å; L347-L349 HydrophobicContact CB-CD1 4.45Å; L347-L349 HydrophobicContact CB-CG 4.26Å; L347-L349 HydrophobicContact CD1-CD1 4.42Å
350D94.7Very high91.5Very high84 Ų8447.2 Ų47.245%0.44926%0.259SS..SBendtrans-96.7136.5165.5-65.9-17000107.8K344 L345K344-D350 HydrophobicContact CB-CB 4.15Å; K344-D350 VanDerWaalsContact CB-OD2 3.22Å; K344-D350 WeakPolarHBondContact CB-OD2 3.5Å; K344-D350 PolarHBondContact O-N 2.89Å; K344-D350 VanDerWaalsContact O-N 3.1Å; L345-D350 HydrophobicContact CD2-CB 3.58Å; L345-D350 HydrophobicContact CG-CB 4Å
351K88.8Confident91.8Very high199 Ų19947.7 Ų47.787%0.86526%0.261SS*.  trans-96.5140.1-176.2-62.8-175.8-179.7-178.50110.7
352C87.7Confident92Very high56 Ų5649.6 Ų49.638%0.37827%0.27SS..  trans-123.3143.6167.1-163.60000108.2L345 Y354 V356L345-C352 HydrophobicContact CD2-CB 4.43Å; C352-Y354 VanDerWaalsContact C-N 3.25Å; C352-Y354 PolarHBondContact O-N 3.39Å; C352-Y354 WeakPolarHBondContact SG-CE1 3.16Å; C352-V356 HydrophobicContact CB-CG1 4.2Å
353S88.9Confident91.8Very high124 Ų12451.3 Ų51.387%0.86728%0.278SS*.SBendtrans-79.2-7.4-177.454.20000113.8
354Y90.1Very high91.4Very high103 Ų10354.4 Ų54.440%0.40430%0.295SS..SBendtrans-138.8164.6-17760.8-91.8000111C352 V356 C359 G360C352-Y354 VanDerWaalsContact C-N 3.25Å; C352-Y354 PolarHBondContact O-N 3.39Å; C352-Y354 WeakPolarHBondContact SG-CE1 3.16Å; Y354-V356 HydrophobicContact CD2-CG1 4.37Å; Y354-V356 HydrophobicContact CE2-CB 4.46Å; Y354-V356 HydrophobicContact CE2-CG1 3.88Å; Y354-V356 PolarHBondContact O-N 3Å; Y354-C359 HydrophobicContact CD2-CB 3.61Å; Y354-C359 HydrophobicContact CE2-CB 3.66Å; Y354-G360 PolarHBondContact OH-O 2.92Å
355D90.4Very high90.7Very high18 Ų1852.6 Ų52.610%0.09630%0.299CS..  trans-73.9105.5172.2-172.9-22.7000109.4Y253 K254 T357 E358 C359Y253-D355 WeakPolarHBondContact CA-OD2 3.28Å; Y253-D355 VanDerWaalsContact CD1-OD1 3.28Å; Y253-D355 WeakPolarHBondContact CD1-OD1 3.24Å; K254-D355 PolarHBondContact N-OD2 3.38Å; D355-T357 VanDerWaalsContact CG-OG1 3.26Å; D355-T357 PolarHBondContact O-N 3.29Å; D355-T357 VanDerWaalsContact O-N 3.11Å; D355-T357 WeakPolarHBondContact OD1-CA 3.46Å; D355-T357 VanDerWaalsContact OD1-CB 3.31Å; D355-T357 WeakPolarHBondContact OD1-CB 3.24Å; D355-T357 PolarHBondContact OD1-N 2.91Å; D355-T357 PolarHBondContact OD1-OG1 3.45Å; D355-T357 PolarHBondContact OD2-OG1 3.48Å; D355-E358 HydrophobicContact CB-CB 4.36Å; D355-E358 HydrophobicContact CB-CG 4.07Å; D355-E358 PolarHBondContact O-N 3.31Å; D355-C359 PolarHBondContact O-N 3.03Å
356V91.8Very high90.2Very high2 Ų253.4 Ų53.41%0.01230%0.302CS..Hα-helixtrans-60.5-21.3-179.7-66.10000113.2Y253 F333 L337 C352 Y354 E358 G360 I361Y253-V356 HydrophobicContact CE1-CG2 3.78Å; F333-V356 HydrophobicContact CE1-CB 4.2Å; F333-V356 HydrophobicContact CE1-CG2 3.94Å; F333-V356 WeakPolarHBondContact CE1-O 3.43Å; F333-V356 WeakPolarHBondContact CZ-O 3.34Å; L337-V356 HydrophobicContact CD2-CG2 3.86Å; C352-V356 HydrophobicContact CB-CG1 4.2Å; Y354-V356 HydrophobicContact CD2-CG1 4.37Å; Y354-V356 HydrophobicContact CE2-CB 4.46Å; Y354-V356 HydrophobicContact CE2-CG1 3.88Å; Y354-V356 PolarHBondContact O-N 3Å; V356-E358 VanDerWaalsContact C-N 3.32Å; V356-G360 VanDerWaalsContact O-CA 3.27Å; V356-G360 WeakPolarHBondContact O-CA 3.4Å; V356-G360 PolarHBondContact O-N 3.47Å; V356-I361 HydrophobicContact CB-CB 4.43Å; V356-I361 HydrophobicContact CB-CG2 4.48Å; V356-I361 HydrophobicContact CG1-CB 4.31Å; V356-I361 HydrophobicContact CG1-CD1 3.98Å
357T91Very high89.8Confident18 Ų1854.3 Ų54.311%0.1131%0.309CS..Hα-helixtrans-75.3-23.5177.370.50000112.2Y253 T330 F333 L334 D355Y253-T357 HydrophobicContact CD1-CG2 3.61Å; Y253-T357 HydrophobicContact CE1-CG2 3.99Å; Y253-T357 HydrophobicContact CG-CG2 4.47Å; T330-T357 HydrophobicContact CG2-CG2 4.23Å; F333-T357 HydrophobicContact CB-CG2 4.24Å; F333-T357 HydrophobicContact CD1-CG2 3.49Å; F333-T357 VanDerWaalsContact CD1-CG2 3.49Å; F333-T357 HydrophobicContact CE1-CG2 4.06Å; F333-T357 HydrophobicContact CG-CG2 3.96Å; L334-T357 HydrophobicContact CD2-CG2 4.16Å; D355-T357 VanDerWaalsContact CG-OG1 3.26Å; D355-T357 PolarHBondContact O-N 3.29Å; D355-T357 VanDerWaalsContact O-N 3.11Å; D355-T357 WeakPolarHBondContact OD1-CA 3.46Å; D355-T357 VanDerWaalsContact OD1-CB 3.31Å; D355-T357 WeakPolarHBondContact OD1-CB 3.24Å; D355-T357 PolarHBondContact OD1-N 2.91Å; D355-T357 PolarHBondContact OD1-OG1 3.45Å; D355-T357 PolarHBondContact OD2-OG1 3.48Å
358E88.8Confident89.4Confident98 Ų9854.3 Ų54.346%0.45831%0.309SS..Hα-helixtrans-89.4-37.2177.6-64.2-173.7163.600112.1K254 D355 V356 P370K254-E358 VanDerWaalsContact CD-OE1 3.31Å; K254-E358 WeakPolarHBondContact CD-OE1 3.23Å; K254-E358 WeakPolarHBondContact CE-OE1 3.46Å; K254-E358 VanDerWaalsContact NZ-CD 3.29Å; K254-E358 IonicContact NZ-OE1 2.71Å; K254-E358 PolarHBondContact NZ-OE1 3.15Å; K254-E358 IonicContact NZ-OE2 3.55Å; K254-E358 PolarHBondContact NZ-OE2 3.09Å; D355-E358 HydrophobicContact CB-CB 4.36Å; D355-E358 HydrophobicContact CB-CG 4.07Å; D355-E358 PolarHBondContact O-N 3.31Å; V356-E358 VanDerWaalsContact C-N 3.32Å; E358-P370 WeakPolarHBondContact O-CG 3.18Å
359C88.2Confident89.1Confident81 Ų8159.1 Ų59.155%0.54733%0.328SS..Hα-helixtrans-105-13.6-174-55.30000114.8Y354 D355Y354-C359 HydrophobicContact CD2-CB 3.61Å; Y354-C359 HydrophobicContact CE2-CB 3.66Å; D355-C359 PolarHBondContact O-N 3.03Å
360G90.4Very high88.5Confident5 Ų560.1 Ų60.15%0.05234%0.337CS..  trans77.8173.7-171.600000112.8Y354 V356 L368Y354-G360 PolarHBondContact OH-O 2.92Å; V356-G360 VanDerWaalsContact O-CA 3.27Å; V356-G360 WeakPolarHBondContact O-CA 3.4Å; V356-G360 PolarHBondContact O-N 3.47Å; G360-L368 CarbonylContact C-O 3.55Å; G360-L368 WeakPolarHBondContact CA-O 3.24Å
361I92.2Very high87.8Confident21 Ų2157.7 Ų57.711%0.10832%0.323CS..EExtended strand (participates in β ladder)trans-154.9141.6179.7-171.1167.3000112.2F333 L337 L345 V356 L368F333-I361 HydrophobicContact CZ-CG2 4.31Å; L337-I361 HydrophobicContact CD1-CG2 3.8Å; L345-I361 HydrophobicContact CD1-CD1 3.68Å; V356-I361 HydrophobicContact CB-CB 4.43Å; V356-I361 HydrophobicContact CB-CG2 4.48Å; V356-I361 HydrophobicContact CG1-CB 4.31Å; V356-I361 HydrophobicContact CG1-CD1 3.98Å; I361-L368 HydrophobicContact CG2-CB 4.22Å; I361-L368 HydrophobicContact CG2-CD1 4.38Å; I361-L368 PolarHBondContact N-O 2.97Å; I361-L368 PolarHBondContact O-N 3.08Å
362S90.2Very high87.4Confident71 Ų7153.8 Ų53.850%0.49732%0.316SS..EExtended strand (participates in β ladder)trans-101.4114.3169.3-88.10000109.9M29 F366 S367M29-S362 VanDerWaalsContact CE-CB 3.4Å; S362-F366 CarbonylContact C-O 3.51Å; S362-F366 WeakPolarHBondContact CA-O 3.47Å; S362-S367 PolarHBondContact OG-OG 3.23Å
363L86.6Confident86.9Confident40 Ų4054.7 Ų54.721%0.20932%0.321CS..EExtended strand (participates in β ladder)trans-142134.7-176.4-176.368.6000111.1L337 I340 L345 G365 F366L337-L363 HydrophobicContact CD1-CD2 4.12Å; I340-L363 HydrophobicContact CD1-CB 3.89Å; I340-L363 HydrophobicContact CD1-CD2 4.48Å; I340-L363 HydrophobicContact CG1-CD2 4.39Å; L345-L363 HydrophobicContact CD1-CD2 4.18Å; L363-G365 PolarHBondContact O-N 3.47Å; L363-G365 VanDerWaalsContact O-N 3.14Å; L363-F366 PolarHBondContact N-O 2.97Å; L363-F366 PolarHBondContact O-N 3.26Å
364N85Confident86.3Confident83 Ų8352.3 Ų52.344%0.44430%0.298SS..THydrogen-bonded Turntrans52.136.1175.5-64.2-29.9000114.9I340 F366I340-N364 PolarHBondContact O-ND2 3.48Å; N364-F366 VanDerWaalsContact C-N 3.32Å; N364-F366 WeakPolarHBondContact O-CD2 3.24Å
365G82.4Confident85.6Confident42 Ų4248.5 Ų48.543%0.43328%0.284SS..THydrogen-bonded Turntrans79.99.5-179.900000114.7M29 L363M29-G365 WeakPolarHBondContact CB-O 3.49Å; M29-G365 PolarHBondContact N-O 2.81Å; L363-G365 PolarHBondContact O-N 3.47Å; L363-G365 VanDerWaalsContact O-N 3.14Å
366F84.2Confident85Confident41 Ų4150.3 Ų50.318%0.1829%0.294CS..EExtended strand (participates in β ladder)trans-116.7145.1172.8-61.5-80000110.4I26 Q27 P28 M29 I340 S362 L363 N364I26-F366 HydrophobicContact CG2-CB 4.01Å; I26-F366 HydrophobicContact CG2-CD1 3.26Å; I26-F366 HydrophobicContact CG2-CE1 3.87Å; I26-F366 HydrophobicContact CG2-CG 3.76Å; Q27-F366 WeakPolarHBondContact O-CA 3.16Å; P28-F366 HydrophobicContact CB-CD1 4.46Å; P28-F366 HydrophobicContact CB-CE1 4.38Å; M29-F366 WeakPolarHBondContact CE-O 3.46Å; I340-F366 HydrophobicContact CB-CB 4.33Å; I340-F366 HydrophobicContact CB-CD2 4.09Å; I340-F366 HydrophobicContact CB-CG 4.45Å; I340-F366 HydrophobicContact CD1-CB 4.2Å; I340-F366 HydrophobicContact CG2-CB 3.85Å; I340-F366 HydrophobicContact CG2-CD2 3.86Å; I340-F366 HydrophobicContact CG2-CG 3.86Å; S362-F366 CarbonylContact C-O 3.51Å; S362-F366 WeakPolarHBondContact CA-O 3.47Å; L363-F366 PolarHBondContact N-O 2.97Å; L363-F366 PolarHBondContact O-N 3.26Å; N364-F366 VanDerWaalsContact C-N 3.32Å; N364-F366 WeakPolarHBondContact O-CD2 3.24Å
367S87.1Confident84.5Confident20 Ų2059.1 Ų59.114%0.1434%0.335CS..EExtended strand (participates in β ladder)trans-103.4134.8166.4-159.50000109.8Q27 S362 E369Q27-S367 PolarHBondContact N-O 2.89Å; Q27-S367 PolarHBondContact O-N 3.14Å; S362-S367 PolarHBondContact OG-OG 3.23Å; S367-E369 PolarHBondContact OG-OE1 2.93Å
368L88.2Confident84Confident0 Ų066.9 Ų66.90%037%0.37CS..EExtended strand (participates in β ladder)trans-112.2109.6167.9-70.2177000108.4P24 I26 F333 N336 L337 I340 G360 I361P24-L368 HydrophobicContact CB-CD2 4.37Å; I26-L368 HydrophobicContact CG1-CD2 3.9Å; F333-L368 HydrophobicContact CE2-CB 4.05Å; F333-L368 HydrophobicContact CZ-CB 4.05Å; N336-L368 HydrophobicContact CB-CD1 4.41Å; N336-L368 HydrophobicContact CB-CD2 3.95Å; L337-L368 VanDerWaalsContact CA-CD1 3.45Å; L337-L368 HydrophobicContact CB-CD1 3.93Å; L337-L368 HydrophobicContact CD1-CD1 4.09Å; I340-L368 HydrophobicContact CD1-CD1 3.45Å; I340-L368 VanDerWaalsContact CD1-CD1 3.45Å; I340-L368 HydrophobicContact CD1-CG 3.72Å; I340-L368 HydrophobicContact CG1-CD1 4.04Å; G360-L368 CarbonylContact C-O 3.55Å; G360-L368 WeakPolarHBondContact CA-O 3.24Å; I361-L368 HydrophobicContact CG2-CB 4.22Å; I361-L368 HydrophobicContact CG2-CD1 4.38Å; I361-L368 PolarHBondContact N-O 2.97Å; I361-L368 PolarHBondContact O-N 3.08Å
369E88.6Confident83.7Confident109 Ų10964.4 Ų64.451%0.50936%0.36SS..PPolyproline II helixtrans-81.8151173.8-58.2-54.8137.400110.7S367S367-E369 PolarHBondContact OG-OE1 2.93Å
370P84.8Confident83.3Confident48 Ų4865.5 Ų65.531%0.31235%0.353SS..PPolyproline II helixtrans-53.8146.1171.9-24.334.1000112.2E358 V372E358-P370 WeakPolarHBondContact O-CG 3.18Å; P370-V372 PolarHBondContact O-N 3.24Å
371I79.5Confident82.9Confident32 Ų3271.5 Ų71.516%0.16438%0.384CS..PPolyproline II helixtrans-79.9123176-55.1-178.9000108.9P24 Q329 Q332 F333P24-I371 HydrophobicContact CB-CG1 4.45Å; P24-I371 HydrophobicContact CG-CD1 3.7Å; P24-I371 HydrophobicContact CG-CG1 3.88Å; Q329-I371 HydrophobicContact CB-CB 4.35Å; Q329-I371 HydrophobicContact CB-CD1 4.03Å; Q329-I371 HydrophobicContact CB-CG2 4.23Å; Q329-I371 HydrophobicContact CG-CG2 3.92Å; Q329-I371 WeakPolarHBondContact O-CD1 3.07Å; Q332-I371 HydrophobicContact CB-CD1 3.91Å; F333-I371 HydrophobicContact CB-CD1 4.16Å; F333-I371 HydrophobicContact CD2-CG1 4.46Å
372V79.7Confident82.3Confident118 Ų11880.4 Ų80.472%0.71542%0.416SS*.PPolyproline II helixtrans-61125.9171.7-179.30000109.2Q329 P370 L374Q329-V372 PolarHBondContact OE1-O 3.02Å; P370-V372 PolarHBondContact O-N 3.24Å; V372-L374 PolarHBondContact O-N 3.34Å; V372-L374 VanDerWaalsContact O-N 3.15Å
373P77.4Confident81.7Confident74 Ų7479.4 Ų79.448%0.48140%0.403SS..PPolyproline II helixtrans-52.2121.2178.9-27.534.6000112I375P373-I375 PolarHBondContact O-N 3.14Å
374L75.4Confident81.4Confident75 Ų7580.7 Ų80.739%0.39341%0.41SS..SBendtrans-58.1-33.5176.5-176.468.2000112.9N325 V372 N379 F383N325-L374 PolarHBondContact ND2-N 3.18Å; N325-L374 WeakPolarHBondContact OD1-CB 3.4Å; V372-L374 PolarHBondContact O-N 3.34Å; V372-L374 VanDerWaalsContact O-N 3.15Å; L374-N379 PolarHBondContact O-ND2 3.28Å; L374-F383 HydrophobicContact CD1-CZ 4.38Å; L374-F383 HydrophobicContact CD2-CE1 4.34Å; L374-F383 HydrophobicContact CD2-CZ 3.94Å; L374-F383 HydrophobicContact CG-CE2 4.41Å; L374-F383 HydrophobicContact CG-CZ 3.76Å; L374-F383 WeakPolarHBondContact O-CE2 3.27Å
375I75.5Confident81.1Confident22 Ų2285.6 Ų85.611%0.11342%0.422CS..SBendtrans-107.7120.4176.4-56.4172.8000107L321 E322 N325 P373 N379 F383L321-I375 HydrophobicContact CB-CD1 3.6Å; L321-I375 HydrophobicContact CD1-CD1 4.3Å; E322-I375 HydrophobicContact CG-CG2 4.43Å; N325-I375 HydrophobicContact CB-CD1 4.25Å; P373-I375 PolarHBondContact O-N 3.14Å; I375-N379 WeakPolarHBondContact CA-OD1 3.46Å; I375-F383 HydrophobicContact CD1-CD1 4.26Å; I375-F383 HydrophobicContact CD1-CG 4.42Å; I375-F383 HydrophobicContact CG1-CD1 4.13Å; I375-F383 HydrophobicContact CG1-CD2 4Å; I375-F383 HydrophobicContact CG1-CE1 4.18Å; I375-F383 HydrophobicContact CG1-CE2 4.04Å; I375-F383 HydrophobicContact CG1-CG 4.06Å; I375-F383 HydrophobicContact CG1-CZ 4.15Å
376N79.2Confident80.6Confident56 Ų5687.6 Ų87.630%0.29942%0.417SS..  trans-136174.4176.968.66.2000109.9E378 N379 R380N376-E378 PolarHBondContact O-N 2.77Å; N376-E378 PolarHBondContact OD1-N 3.15Å; N376-N379 PolarHBondContact N-OD1 3.21Å; N376-N379 PolarHBondContact O-N 2.91Å; N376-N379 PolarHBondContact O-OD1 2.78Å; N376-N379 WeakPolarHBondContact OD1-CB 3.04Å; N376-N379 PolarHBondContact OD1-N 2.83Å; N376-N379 PolarHBondContact OD1-ND2 3.25Å; N376-N379 PolarHBondContact OD1-OD1 3.26Å; N376-R380 WeakPolarHBondContact O-CB 3.19Å; N376-R380 PolarHBondContact O-N 3Å
377E79.5Confident80.1Confident187 Ų18788 Ų8887%0.87442%0.421SS*.THydrogen-bonded Turntrans-58.4-35.2-178.7-65.2-178.5173.800112.3N379E377-N379 PolarHBondContact O-N 2.9Å
378E81.2Confident79.5Confident182 Ų18294.1 Ų94.185%0.8544%0.442SS*.THydrogen-bonded Turntrans-70-29.1-178-58.4174.9166.700113.6N376N376-E378 PolarHBondContact O-N 2.77Å; N376-E378 PolarHBondContact OD1-N 3.15Å
379N81.7Confident78.9Confident45 Ų4595.6 Ų95.624%0.24145%0.45CS..THydrogen-bonded Turntrans-115.90.4-174.275.316.7000114.7L374 I375 N376 E377 D381 R382 F383L374-N379 PolarHBondContact O-ND2 3.28Å; I375-N379 WeakPolarHBondContact CA-OD1 3.46Å; N376-N379 PolarHBondContact N-OD1 3.21Å; N376-N379 PolarHBondContact O-N 2.91Å; N376-N379 PolarHBondContact O-OD1 2.78Å; N376-N379 WeakPolarHBondContact OD1-CB 3.04Å; N376-N379 PolarHBondContact OD1-N 2.83Å; N376-N379 PolarHBondContact OD1-ND2 3.25Å; N376-N379 PolarHBondContact OD1-OD1 3.26Å; E377-N379 PolarHBondContact O-N 2.9Å; N379-D381 VanDerWaalsContact C-N 3.34Å; N379-D381 PolarHBondContact O-N 2.96Å; N379-R382 WeakPolarHBondContact O-CB 2.99Å; N379-R382 PolarHBondContact O-N 3.16Å; N379-R382 VanDerWaalsContact O-N 3.11Å; N379-F383 PolarHBondContact O-N 3.31Å
380R80.1Confident78Confident105 Ų10592.6 Ų92.640%0.39644%0.437SS..Hα-helixtrans-50.5-50.4-179.9174.5-178.7-87.3-79.1-1.8112.2E322 N376 R382 F383 D384E322-R380 IonicContact OE1-CZ 3.33Å; E322-R380 IonicContact OE1-NH1 3.28Å; E322-R380 PolarHBondContact OE1-NH1 3.32Å; E322-R380 IonicContact OE1-NH2 3.75Å; E322-R380 PolarHBondContact OE1-NH2 3.01Å; N376-R380 WeakPolarHBondContact O-CB 3.19Å; N376-R380 PolarHBondContact O-N 3Å; R380-R382 PolarHBondContact O-N 3.25Å; R380-R382 VanDerWaalsContact O-N 3.16Å; R380-F383 WeakPolarHBondContact O-CA 3.08Å; R380-F383 WeakPolarHBondContact O-CB 3.28Å; R380-F383 PolarHBondContact O-N 3.34Å; R380-D384 WeakPolarHBondContact CG-OD2 3.03Å; R380-D384 PolarHBondContact O-N 3.16Å
381D81.7Confident77.3Confident131 Ų13199 Ų9970%0.70146%0.46SS*.Hα-helixtrans-57.5-35.6-177.6-69-11.3000112.7N379 R385N379-D381 VanDerWaalsContact C-N 3.34Å; N379-D381 PolarHBondContact O-N 2.96Å; D381-R385 WeakPolarHBondContact O-CB 3.39Å; D381-R385 PolarHBondContact O-N 3.11Å
382R80.4Confident76.9Confident207 Ų207101 Ų10178%0.78147%0.471SS*.Hα-helixtrans-68.1-40.1177.2-171.9179.6-179.5177.51.9111.4N379 R380 Y386N379-R382 WeakPolarHBondContact O-CB 2.99Å; N379-R382 PolarHBondContact O-N 3.16Å; N379-R382 VanDerWaalsContact O-N 3.11Å; R380-R382 PolarHBondContact O-N 3.25Å; R380-R382 VanDerWaalsContact O-N 3.16Å; R382-Y386 WeakPolarHBondContact O-CB 3.49Å; R382-Y386 PolarHBondContact O-N 2.79Å
383F78.5Confident76.2Confident51 Ų51104.9 Ų104.922%0.22448%0.478CS..Hα-helixtrans-69.1-41.9176.3-86.1-82.6000112L374 I375 N379 R380 R385 Y386 L387L374-F383 HydrophobicContact CD1-CZ 4.38Å; L374-F383 HydrophobicContact CD2-CE1 4.34Å; L374-F383 HydrophobicContact CD2-CZ 3.94Å; L374-F383 HydrophobicContact CG-CE2 4.41Å; L374-F383 HydrophobicContact CG-CZ 3.76Å; L374-F383 WeakPolarHBondContact O-CE2 3.27Å; I375-F383 HydrophobicContact CD1-CD1 4.26Å; I375-F383 HydrophobicContact CD1-CG 4.42Å; I375-F383 HydrophobicContact CG1-CD1 4.13Å; I375-F383 HydrophobicContact CG1-CD2 4Å; I375-F383 HydrophobicContact CG1-CE1 4.18Å; I375-F383 HydrophobicContact CG1-CE2 4.04Å; I375-F383 HydrophobicContact CG1-CG 4.06Å; I375-F383 HydrophobicContact CG1-CZ 4.15Å; N379-F383 PolarHBondContact O-N 3.31Å; R380-F383 WeakPolarHBondContact O-CA 3.08Å; R380-F383 WeakPolarHBondContact O-CB 3.28Å; R380-F383 PolarHBondContact O-N 3.34Å; F383-R385 VanDerWaalsContact C-N 3.34Å; F383-R385 PolarHBondContact O-N 2.89Å; F383-Y386 WeakPolarHBondContact O-CB 3.44Å; F383-Y386 PolarHBondContact O-N 3.16Å; F383-Y386 VanDerWaalsContact O-N 3.15Å; F383-L387 PolarHBondContact O-N 3.48Å
384D78.9Confident74.8Confident67 Ų67110.1 Ų110.136%0.35849%0.488SS..Hα-helixtrans-63.9-41.2177.3-72.9-22.4000111.2R380 Y386 L387 Y388R380-D384 WeakPolarHBondContact CG-OD2 3.03Å; R380-D384 PolarHBondContact O-N 3.16Å; D384-Y386 PolarHBondContact O-N 2.83Å; D384-L387 PolarHBondContact O-N 2.78Å; D384-Y388 PolarHBondContact O-N 2.94Å
385R78.7Confident73.3Confident186 Ų186112 Ų11270%0.70250%0.498SS*.Hα-helixtrans-60.6-44.4171.5-174.1173.8-179.1176.3-0.3111.8D381 F383 L387 Y388 L389D381-R385 WeakPolarHBondContact O-CB 3.39Å; D381-R385 PolarHBondContact O-N 3.11Å; F383-R385 VanDerWaalsContact C-N 3.34Å; F383-R385 PolarHBondContact O-N 2.89Å; R385-L387 VanDerWaalsContact C-N 3.33Å; R385-L387 PolarHBondContact O-N 2.83Å; R385-Y388 PolarHBondContact O-N 3.46Å; R385-L389 HydrophobicContact CG-CD1 4.16Å; R385-L389 WeakPolarHBondContact O-CB 3.49Å; R385-L389 VanDerWaalsContact O-CG 3.24Å; R385-L389 WeakPolarHBondContact O-CG 3.47Å; R385-L389 PolarHBondContact O-N 3.35Å; R385-L389 VanDerWaalsContact O-N 3.08Å
386Y73.2Confident71.6Confident84 Ų84113.9 Ų113.933%0.32951%0.512SS..Hα-helixtrans-60-42.1176.7178.9-110.4000112.1V301 R382 F383 D384 L389 L390 L395V301-Y386 HydrophobicContact CG1-CE1 4.02Å; V301-Y386 WeakPolarHBondContact CG1-OH 3.3Å; R382-Y386 WeakPolarHBondContact O-CB 3.49Å; R382-Y386 PolarHBondContact O-N 2.79Å; F383-Y386 WeakPolarHBondContact O-CB 3.44Å; F383-Y386 PolarHBondContact O-N 3.16Å; F383-Y386 VanDerWaalsContact O-N 3.15Å; D384-Y386 PolarHBondContact O-N 2.83Å; Y386-L389 PolarHBondContact O-N 2.82Å; Y386-L390 HydrophobicContact CD1-CD1 3.71Å; Y386-L390 HydrophobicContact CE1-CD1 3.36Å; Y386-L390 HydrophobicContact CE1-CG 4.23Å; Y386-L390 HydrophobicContact CE2-CD1 4.43Å; Y386-L390 HydrophobicContact CE2-CG 4.47Å; Y386-L390 HydrophobicContact CG-CD1 4.4Å; Y386-L390 WeakPolarHBondContact O-CG 3.34Å; Y386-L390 PolarHBondContact O-N 2.87Å; Y386-L395 HydrophobicContact CE2-CD2 4.37Å
387L72.5Confident69.7Low48 Ų48114.3 Ų114.325%0.25152%0.519SS..Hα-helixtrans-65.1-43.3174.8-73.2-173.2000113.7P300 L321 F383 D384 R385 L389 L390 K391P300-L387 HydrophobicContact CB-CD2 4.15Å; P300-L387 HydrophobicContact CG-CD2 3.89Å; L321-L387 HydrophobicContact CD1-CD1 3.16Å; L321-L387 HydrophobicContact CD1-CD2 3.99Å; L321-L387 HydrophobicContact CD1-CG 3.59Å; L321-L387 HydrophobicContact CD2-CD1 3.9Å; L321-L387 HydrophobicContact CD2-CD2 3.81Å; L321-L387 HydrophobicContact CD2-CG 4.29Å; L321-L387 HydrophobicContact CG-CD1 3.62Å; L321-L387 HydrophobicContact CG-CD2 4.39Å; L321-L387 HydrophobicContact CG-CG 4.34Å; F383-L387 PolarHBondContact O-N 3.48Å; D384-L387 PolarHBondContact O-N 2.78Å; R385-L387 VanDerWaalsContact C-N 3.33Å; R385-L387 PolarHBondContact O-N 2.83Å; L387-L389 PolarHBondContact O-N 3.46Å; L387-L390 HydrophobicContact CD2-CD1 4.26Å; L387-L390 PolarHBondContact O-N 2.98Å; L387-K391 WeakPolarHBondContact O-CB 3.38Å; L387-K391 PolarHBondContact O-N 3.42Å
388Y75.1Confident67.8Low150 Ų150112.1 Ų112.159%0.58851%0.514SS*.Hα-helixtrans-55.7-44.5177175.8-90.4000110.4D384 R385 K391 N392D384-Y388 PolarHBondContact O-N 2.94Å; R385-Y388 PolarHBondContact O-N 3.46Å; Y388-K391 PolarHBondContact O-N 3.28Å; Y388-N392 WeakPolarHBondContact CD2-ND2 3.37Å; Y388-N392 WeakPolarHBondContact CE1-ND2 3.37Å; Y388-N392 WeakPolarHBondContact CE2-ND2 3.44Å; Y388-N392 WeakPolarHBondContact O-CB 3.47Å; Y388-N392 PolarHBondContact O-N 3.45Å; Y388-N392 VanDerWaalsContact O-N 3.11Å; Y388-N392 PolarHBondContact O-ND2 3.01Å
389L75Confident65.8Low31 Ų31108.4 Ų108.416%0.16250%0.5CS..Hα-helixtrans-64.6-42.8177.9-71174.6000112.1R385 Y386 L387 N392 K393 R394 P396R385-L389 HydrophobicContact CG-CD1 4.16Å; R385-L389 WeakPolarHBondContact O-CB 3.49Å; R385-L389 VanDerWaalsContact O-CG 3.24Å; R385-L389 WeakPolarHBondContact O-CG 3.47Å; R385-L389 PolarHBondContact O-N 3.35Å; R385-L389 VanDerWaalsContact O-N 3.08Å; Y386-L389 PolarHBondContact O-N 2.82Å; L387-L389 PolarHBondContact O-N 3.46Å; L389-N392 CarbonylContact O-C 3.5Å; L389-N392 PolarHBondContact O-N 3.27Å; L389-K393 PolarHBondContact O-N 3.49Å; L389-K393 VanDerWaalsContact O-N 3.13Å; L389-R394 WeakPolarHBondContact CB-O 3.46Å; L389-R394 HydrophobicContact CD2-CB 4.19Å; L389-R394 VanDerWaalsContact CD2-O 3.24Å; L389-R394 WeakPolarHBondContact CD2-O 3.4Å; L389-R394 CarbonylContact O-C 3.48Å; L389-R394 PolarHBondContact O-N 2.98Å; L389-P396 HydrophobicContact CD1-CB 4.5Å; L389-P396 HydrophobicContact CD1-CG 3.78Å
390L69Low64Low46 Ų46110.5 Ų110.524%0.24151%0.51CS..Hα-helixtrans-62-47.1174.5-75.2169.3000113.1V301 Y386 L387 N392 K393 L395V301-L390 HydrophobicContact CG1-CD1 3.29Å; V301-L390 HydrophobicContact CG1-CD2 3.65Å; V301-L390 HydrophobicContact CG1-CG 4.11Å; Y386-L390 HydrophobicContact CD1-CD1 3.71Å; Y386-L390 HydrophobicContact CE1-CD1 3.36Å; Y386-L390 HydrophobicContact CE1-CG 4.23Å; Y386-L390 HydrophobicContact CE2-CD1 4.43Å; Y386-L390 HydrophobicContact CE2-CG 4.47Å; Y386-L390 HydrophobicContact CG-CD1 4.4Å; Y386-L390 WeakPolarHBondContact O-CG 3.34Å; Y386-L390 PolarHBondContact O-N 2.87Å; L387-L390 HydrophobicContact CD2-CD1 4.26Å; L387-L390 PolarHBondContact O-N 2.98Å; L390-N392 PolarHBondContact O-N 2.86Å; L390-K393 PolarHBondContact O-N 3.13Å; L390-L395 HydrophobicContact CD2-CD2 3.78Å; L390-L395 HydrophobicContact CD2-CG 4.47Å
391K70.1Confident62.1Low181 Ų181108.6 Ų108.679%0.78751%0.513SS*.Hα-helixtrans-62.2-35.5-179.6-171.5177.9179.7-177.50111.5L387 Y388L387-K391 WeakPolarHBondContact O-CB 3.38Å; L387-K391 PolarHBondContact O-N 3.42Å; Y388-K391 PolarHBondContact O-N 3.28Å
392N72.5Confident60.2Low74 Ų74106.9 Ų106.940%0.39650%0.504SS..THydrogen-bonded Turntrans-93.811.7-179.2-64.2-47.9000113.6Y388 L389 L390 R394Y388-N392 WeakPolarHBondContact CD2-ND2 3.37Å; Y388-N392 WeakPolarHBondContact CE1-ND2 3.37Å; Y388-N392 WeakPolarHBondContact CE2-ND2 3.44Å; Y388-N392 WeakPolarHBondContact O-CB 3.47Å; Y388-N392 PolarHBondContact O-N 3.45Å; Y388-N392 VanDerWaalsContact O-N 3.11Å; Y388-N392 PolarHBondContact O-ND2 3.01Å; L389-N392 CarbonylContact O-C 3.5Å; L389-N392 PolarHBondContact O-N 3.27Å; L390-N392 PolarHBondContact O-N 2.86Å; N392-R394 PolarHBondContact O-N 3.03Å
393K64Low58.1Low200 Ų200101.8 Ų101.887%0.8749%0.492SS*.THydrogen-bonded Turntrans51.519.5-176.8-61.6-176.1178.7179.40114.7L389 L390 L395L389-K393 PolarHBondContact O-N 3.49Å; L389-K393 VanDerWaalsContact O-N 3.13Å; L390-K393 PolarHBondContact O-N 3.13Å; K393-L395 PolarHBondContact O-N 3.48Å
394R48.6Very low56.4Low185 Ų185102.2 Ų102.270%0.69851%0.505SS*.  trans-100.274176-71.7-174.7-173.9-179.71.7107.9L389 N392L389-R394 WeakPolarHBondContact CB-O 3.46Å; L389-R394 HydrophobicContact CD2-CB 4.19Å; L389-R394 VanDerWaalsContact CD2-O 3.24Å; L389-R394 WeakPolarHBondContact CD2-O 3.4Å; L389-R394 CarbonylContact O-C 3.48Å; L389-R394 PolarHBondContact O-N 2.98Å; N392-R394 PolarHBondContact O-N 3.03Å
395L44.6Very low54.6Low114 Ų114104.6 Ų104.660%0.59751%0.514SS*.PPolyproline II helixtrans-64.7128.1166.8-78.5166.1000107.6Y386 L390 K393 S397Y386-L395 HydrophobicContact CE2-CD2 4.37Å; L390-L395 HydrophobicContact CD2-CD2 3.78Å; L390-L395 HydrophobicContact CD2-CG 4.47Å; K393-L395 PolarHBondContact O-N 3.48Å; L395-S397 PolarHBondContact O-N 2.97Å
396P39.2Very low52.8Low61 Ų61100 Ų10040%0.39650%0.503SS..PPolyproline II helixtrans-65.3123.5171.926.2-25.6000106.7L389 D400L389-P396 HydrophobicContact CD1-CB 4.5Å; L389-P396 HydrophobicContact CD1-CG 3.78Å; P396-D400 WeakPolarHBondContact CA-OD2 3.34Å; P396-D400 HydrophobicContact CB-CB 4.32Å; P396-D400 WeakPolarHBondContact CB-OD2 3.5Å
397S39Very low51.4Low66 Ų6698.9 Ų98.946%0.46251%0.511SS..PPolyproline II helixtrans-64148.3170.864.20000108.6L395 N399 D400L395-S397 PolarHBondContact O-N 2.97Å; S397-N399 PolarHBondContact O-N 2.72Å; S397-D400 PolarHBondContact O-N 3.23Å
398D39.3Very low50Low141 Ų14199.7 Ų99.775%0.75452%0.521SS*.THydrogen-bonded Turntrans-53.5-11.3178.5-72.1-40000113.9S401D398-S401 PolarHBondContact O-OG 3.37Å
399N40.2Very low48.3Very low104 Ų10498.1 Ų98.156%0.55652%0.519SS*.Hα-helixtrans-70.9-22.2171.6-72.9-13.1000114.7S397 S401 L402 N403S397-N399 PolarHBondContact O-N 2.72Å; N399-S401 VanDerWaalsContact C-N 3.35Å; N399-L402 PolarHBondContact O-N 3.11Å; N399-N403 PolarHBondContact O-N 3.1Å; N399-N403 PolarHBondContact O-ND2 2.91Å
400D43.2Very low46.6Very low88 Ų88100.4 Ų100.447%0.47154%0.537SS..Hα-helixtrans-73.2-30.2-179.7-69.4-27.4000111.7P396 S397 A404P396-D400 WeakPolarHBondContact CA-OD2 3.34Å; P396-D400 HydrophobicContact CB-CB 4.32Å; P396-D400 WeakPolarHBondContact CB-OD2 3.5Å; S397-D400 PolarHBondContact O-N 3.23Å; D400-A404 WeakPolarHBondContact O-CB 3.37Å; D400-A404 PolarHBondContact O-N 2.85Å; D400-A404 VanDerWaalsContact O-N 3.13Å
401S41.4Very low45.2Very low65 Ų65101.8 Ų101.846%0.45556%0.555SS.*Hα-helixtrans-72.5-33.6169.629.80000112.9D398 N399 A404 Q405D398-S401 PolarHBondContact O-OG 3.37Å; N399-S401 VanDerWaalsContact C-N 3.35Å; S401-A404 PolarHBondContact O-N 2.9Å; S401-Q405 WeakPolarHBondContact O-CB 3.42Å; S401-Q405 WeakPolarHBondContact O-CG 3.49Å; S401-Q405 PolarHBondContact O-N 2.92Å
402L40.6Very low43.6Very low96 Ų96101 Ų10150%0.50355%0.554SS.*Hα-helixtrans-69.4-41.3176.6-131.992.2000110.8N399 Q405 L406N399-L402 PolarHBondContact O-N 3.11Å; L402-Q405 PolarHBondContact O-N 2.91Å; L402-L406 HydrophobicContact CD2-CD1 4.36Å; L402-L406 VanDerWaalsContact O-CB 3.29Å; L402-L406 WeakPolarHBondContact O-CB 3.29Å; L402-L406 WeakPolarHBondContact O-CD1 3.36Å; L402-L406 VanDerWaalsContact O-CG 3.24Å; L402-L406 WeakPolarHBondContact O-CG 3.27Å; L402-L406 PolarHBondContact O-N 2.96Å
403N37.3Very low41.8Very low99 Ų99105.6 Ų105.653%0.52957%0.574SS.*Hα-helixtrans-69.2-32.3176.4-73.2-22.6000112.6N399 A407N399-N403 PolarHBondContact O-N 3.1Å; N399-N403 PolarHBondContact O-ND2 2.91Å; N403-A407 WeakPolarHBondContact O-CB 3.41Å; N403-A407 PolarHBondContact O-N 2.92Å
404A42Very low40.4Very low61 Ų61100 Ų10050%0.50457%0.565SS.*Hα-helixtrans-70.9-37173.500000112.5D400 S401 S408D400-A404 WeakPolarHBondContact O-CB 3.37Å; D400-A404 PolarHBondContact O-N 2.85Å; D400-A404 VanDerWaalsContact O-N 3.13Å; S401-A404 PolarHBondContact O-N 2.9Å; A404-S408 PolarHBondContact O-N 2.64Å; A404-S408 VanDerWaalsContact O-N 3.1Å; A404-S408 PolarHBondContact O-OG 3.24Å; A404-S408 VanDerWaalsContact O-OG 3.11Å
405Q41.4Very low39.7Very low117 Ų11796.8 Ų96.855%0.54757%0.566SS.*Hα-helixtrans-73.2-36.4174.7-74.8-178.5-44.500112.4S401 L402 S408 Q409S401-Q405 WeakPolarHBondContact O-CB 3.42Å; S401-Q405 WeakPolarHBondContact O-CG 3.49Å; S401-Q405 PolarHBondContact O-N 2.92Å; L402-Q405 PolarHBondContact O-N 2.91Å; Q405-S408 WeakPolarHBondContact CA-OG 3.4Å; Q405-S408 PolarHBondContact O-N 3.32Å; Q405-S408 PolarHBondContact O-OG 3.44Å; Q405-Q409 WeakPolarHBondContact O-CB 3.24Å; Q405-Q409 VanDerWaalsContact O-CG 3.27Å; Q405-Q409 WeakPolarHBondContact O-CG 3.36Å; Q405-Q409 PolarHBondContact O-N 2.9Å
406L41.2Very low39.1Very low88 Ų8898 Ų9846%0.46157%0.573SS.*Hα-helixtrans-68.5-36.6173-75.9162.1000111.8L402 Q409 S410L402-L406 HydrophobicContact CD2-CD1 4.36Å; L402-L406 VanDerWaalsContact O-CB 3.29Å; L402-L406 WeakPolarHBondContact O-CB 3.29Å; L402-L406 WeakPolarHBondContact O-CD1 3.36Å; L402-L406 VanDerWaalsContact O-CG 3.24Å; L402-L406 WeakPolarHBondContact O-CG 3.27Å; L402-L406 PolarHBondContact O-N 2.96Å; L406-Q409 PolarHBondContact O-N 2.59Å; L406-S410 WeakPolarHBondContact O-CB 3.17Å; L406-S410 PolarHBondContact O-N 3.46Å; L406-S410 PolarHBondContact O-OG 3.45Å
407A42.2Very low38.8Very low61 Ų61103 Ų10350%0.50459%0.591SS.*Hα-helixtrans-70.4-31.117500000113.1N403 A411N403-A407 WeakPolarHBondContact O-CB 3.41Å; N403-A407 PolarHBondContact O-N 2.92Å; A407-A411 PolarHBondContact O-N 3.29Å
408S43.2Very low38.4Very low65 Ų65104.3 Ų104.346%0.45561%0.606SS.*Hα-helixtrans-77.8-31.7172.253.50000113.1A404 Q405A404-S408 PolarHBondContact O-N 2.64Å; A404-S408 VanDerWaalsContact O-N 3.1Å; A404-S408 PolarHBondContact O-OG 3.24Å; A404-S408 VanDerWaalsContact O-OG 3.11Å; Q405-S408 WeakPolarHBondContact CA-OG 3.4Å; Q405-S408 PolarHBondContact O-N 3.32Å; Q405-S408 PolarHBondContact O-OG 3.44Å
409Q41.4Very low38Very low117 Ų117103.3 Ų103.355%0.54761%0.609SS.*Hα-helixtrans-78.1-33.3177.4-75.2175.7-4.300112.6Q405 L406 A411 E412 E413Q405-Q409 WeakPolarHBondContact O-CB 3.24Å; Q405-Q409 VanDerWaalsContact O-CG 3.27Å; Q405-Q409 WeakPolarHBondContact O-CG 3.36Å; Q405-Q409 PolarHBondContact O-N 2.9Å; L406-Q409 PolarHBondContact O-N 2.59Å; Q409-A411 VanDerWaalsContact C-N 3.29Å; Q409-A411 PolarHBondContact O-N 3.49Å; Q409-E412 PolarHBondContact O-N 3.48Å; Q409-E413 PolarHBondContact O-N 3.36Å
410S38.8Very low37.6Very low79 Ų79102.9 Ų102.955%0.55261%0.613SS**THydrogen-bonded Turntrans-77.6-11.8174.747.90000114.1L406L406-S410 WeakPolarHBondContact O-CB 3.17Å; L406-S410 PolarHBondContact O-N 3.46Å; L406-S410 PolarHBondContact O-OG 3.45Å
411A38.8Very low37.2Very low75 Ų75107.3 Ų107.362%0.6263%0.63SS**THydrogen-bonded Turntrans-86.1-17.5170.800000113.2A407 Q409A407-A411 PolarHBondContact O-N 3.29Å; Q409-A411 VanDerWaalsContact C-N 3.29Å; Q409-A411 PolarHBondContact O-N 3.49Å
412E36.6Very low36.9Very low164 Ų164109.4 Ų109.477%0.76665%0.645SS**THydrogen-bonded Turntrans-97.9-10.3179-75-176.5156.300113.7Q409Q409-E412 PolarHBondContact O-N 3.48Å
413E34.2Very low36.9Very low171 Ų171110.2 Ų110.280%0.79966%0.656SS**SBendtrans-997177.6-76.9-176.6157.500114.6Q409 T415Q409-E413 PolarHBondContact O-N 3.36Å; E413-T415 VanDerWaalsContact C-N 3.3Å; E413-T415 PolarHBondContact O-N 3.34Å
414A35.5Very low37Very low84 Ų84113.1 Ų113.169%0.69467%0.671SS**SBendtrans-86.613.1-177.600000115
415T34.8Very low37.3Very low117 Ų117114.9 Ų114.972%0.71868%0.677SS**SBendtrans-133.870.1178.955.50000111.6E413E413-T415 VanDerWaalsContact C-N 3.3Å; E413-T415 PolarHBondContact O-N 3.34Å
416D32Very low37.1Very low138 Ų138118 Ų11874%0.73869%0.692SS**SBendtrans-176.4127.8139.9-104.2-33.3000112.4
417Q32.4Very low36.9Very low168 Ų168117.5 Ų117.579%0.78570%0.7SS**  trans66.798.5148.5-65.6163.113.300118.2
418A31.1Very low36.7Very low93 Ų93121.4 Ų121.477%0.76972%0.717SS**  73.7115.57900000115
419C30.1Very low36.4Very low120 Ų120122.5 Ų122.581%0.81173%0.725SS**  trans124.1105.8145.2-78.70000117.2
420C31Very low36.1Very low95 Ų95121.9 Ų121.964%0.64273%0.733SS**  94.9106.2122.8-71.30000120.4
421H35.8Very low36Very low180 Ų180124 Ų12483%0.83374%0.743SS**  trans9797.8140.2-59.3-57.2000120.3
422S35.4Very low35.9Very low110 Ų110125.9 Ų125.977%0.76975%0.749SS**  trans-62.6-174.2153.2-18.40000113
423P40.2Very low36.1Very low113 Ų113123.7 Ų123.773%0.73475%0.749SS**  cis-141.2154.6-0.127-2.1000118.2
424L38.2Very low36.3Very low160 Ų160122.3 Ų122.384%0.83875%0.751SS**  26172.9125.7-78.1158.4000122.2
425P48.8Very low36.1Very low97 Ų97125.3 Ų125.363%0.6376%0.756SS**  cis-144.1-162.1-17.728.5-2.5000115.1
426E37.3Very low36.2Very low184 Ų184128.7 Ų128.786%0.8676%0.764SS**  trans105.3133.1155.4-63.9-172.4175.900115.7
427A37.5Very low36.2Very low77 Ų77126.8 Ų126.864%0.63676%0.761SS**  cis-174.3147.17.300000109.9
428V38.4Very low36.3Very low143 Ų143127 Ų12787%0.86776%0.762SS**  trans71.3132.5132.8174.60000116.5
429S36.1Very low36.4Very low88 Ų88128 Ų12862%0.61576%0.758SS**  cis173.8130.99.1147.90000109.3
430S34.7Very low36.4Very low104 Ų104129.8 Ų129.873%0.72776%0.759SS**  trans60148131.684.70000120.2
431V36.9Very low36.8Very low124 Ų124131.1 Ų131.175%0.75276%0.763SS**  cis-155.9160.125.4168.70000108.3
432P37.5Very low36.7Very low114 Ų114128 Ų12874%0.7476%0.759SS**  trans-108.7-154.2-173.941.9-26.5000113.7
433P40.8Very low36.8Very low118 Ų118129 Ų12977%0.76676%0.76SS**  -110.9172.4-107.934.9-15.3000114.6
434V37.1Very low36.4Very low141 Ų141132.6 Ų132.686%0.85577%0.767SS**  trans-136133.1169.7-177.60000110.6
435D31.3Very low36.5Very low147 Ų147131.7 Ų131.779%0.78677%0.768SS**  trans-48152.6169.1-90-44.8000113.7
436E38.1Very low36Very low189 Ų189135.9 Ų135.988%0.88378%0.779SS**  -164.1127.7129.6-107.6166.2-158.400111.7
437S32.1Very low35.7Very low98 Ų98132.4 Ų132.469%0.68578%0.775SS**  trans-53.2152.1164.243.90000113
438E34Very low35.6Very low173 Ų173140.5 Ų140.581%0.80881%0.805SS**  171128.4114.8-95.7-166.4179.900115.5
439T33.8Very low35.5Very low112 Ų112140.4 Ų140.469%0.68780%0.802SS**  76.2117.3128.4-33.80000121.8
440I29.7Very low35.4Very low159 Ų159143.1 Ų143.182%0.81581%0.812SS**  trans-86.5137.8169.4-66.1165.7000109.4
441V38.3Very low35.5Very low123 Ų123145.3 Ų145.375%0.74582%0.817SS**  trans-129.8127.9163.5-176.70000108.5
442P34.8Very low35.4Very low114 Ų114146.5 Ų146.574%0.7482%0.82SS**PPolyproline II helixtrans-95.4139.5169.134.4-25.9000111
443V37.7Very low35.2Very low131 Ų131148.6 Ų148.679%0.79483%0.826SS**PPolyproline II helixtrans-93.9125.3175.6172.50000109.5V445V443-V445 HydrophobicContact CG1-CG2 4.46Å
444E30.9Very low34.9Very low188 Ų188150.6 Ų150.688%0.87983%0.829SS**PPolyproline II helixtrans-64.8138.8165.7-69.3175.8141.500111
445V41.2Very low34.7Very low141 Ų141151.3 Ų151.386%0.85583%0.828SS**  trans-138.4128.4155.9-176.20000109.5V443V443-V445 HydrophobicContact CG1-CG2 4.46Å
446E38.1Very low35Very low185 Ų185151.6 Ų151.686%0.86483%0.831SS**  trans-66.3161-172.3-66.2170133.200115.5
447S30.7Very low34.7Very low112 Ų112148.5 Ų148.578%0.78383%0.827SS**  trans-64.2139.7174.750.40000115.6
448I35.2Very low35Very low246 Ų246153.1 Ų153.1100%1.26284%0.839SS**  trans-1330139-64.4-178.1000107.8

Retrieved 448 of 448 residues in 344.4 ms (Link to these results)