A0A087Y6A3_POEFO Loading...

DPF1-3 N-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A087Y6A3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 392 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M40.9Very low35.5Very low250 Ų250177.8 Ų177.8100%1.23287%0.869SS**  0106.40-76.5171.7157.400108.7
2K34.3Very low35Very low203 Ų203184.5 Ų184.588%0.88388%0.878SS**  trans-106.6133.9173.8-73.1176.7175.9177.10107.4
3P37.7Very low35.1Very low131 Ų131182.8 Ų182.885%0.85188%0.875SS**PPolyproline II helixtrans-78.4135.3170.830.3-29.1000110.2
4R34.4Very low35Very low236 Ų236173.8 Ų173.889%0.89185%0.853SS**PPolyproline II helixtrans-81.3147.4173.9-65.1-178.4-179.6-156.30.2109.8
5P35.6Very low35.2Very low127 Ų127170.1 Ų170.183%0.82585%0.848SS**PPolyproline II helixtrans-79.4133.5173.230.7-28.9000111R7P5-R7 PolarHBondContact O-N 3.36Å
6I35.3Very low35.2Very low163 Ų163173.7 Ų173.784%0.83685%0.849SS**  trans-75.6114.4177.7-66164.6000108.4S8I6-S8 PolarHBondContact O-N 3.27Å
7R33.9Very low35.1Very low243 Ų243171.7 Ų171.792%0.91784%0.841SS**  trans-82.4100.6164.4-89-177.7170.2-173.1-3.7108.4P5 R9P5-R7 PolarHBondContact O-N 3.36Å; R7-R9 PolarHBondContact O-N 3.02Å
8S32.6Very low35Very low106 Ų106174.5 Ų174.574%0.74184%0.841SS**  trans-80.6104.8164.951.60000109.4I6I6-S8 PolarHBondContact O-N 3.27Å
9R35.7Very low35Very low237 Ų237172.2 Ų172.289%0.89483%0.832SS**  trans-73.5124.9161.6-72.6178.9177-145.9-0.6107.9R7R7-R9 PolarHBondContact O-N 3.02Å
10L34.2Very low34.9Very low158 Ų158168.3 Ų168.383%0.82783%0.83SS**  trans-130.7146.8156.6-79.5173.7000109.7
11P36.2Very low34.8Very low102 Ų102168.5 Ų168.566%0.66283%0.826SS**  trans-91.1137.3-159.731.4-23.5000111.9I13P11-I13 PolarHBondContact O-N 3.01Å
12W29.7Very low34.4Very low258 Ų258167.9 Ų167.998%0.97781%0.81SS**  trans-65.2109.9169.1-74.369.1000109.5
13I35.7Very low34.4Very low163 Ų163166.1 Ų166.184%0.83681%0.81SS**  trans-99.2103.5166.5-64.6166.6000106.2P11P11-I13 PolarHBondContact O-N 3.01Å
14G33.4Very low34.3Very low56 Ų56166.2 Ų166.258%0.57781%0.807SS**  trans-121.3139.4167.100000109.1R16G14-R16 PolarHBondContact O-N 3.44Å
15P38.7Very low34.4Very low119 Ų119159.8 Ų159.877%0.77380%0.799SS**  trans-70.4114-174.927.4-31.3000110.4I17P15-I17 PolarHBondContact O-N 3.33Å
16R34.8Very low34.2Very low227 Ų227159.2 Ų159.286%0.85780%0.797SS**  trans-71.791165.4-87.5179.3157172.8-4.9108.8G14 R18G14-R16 PolarHBondContact O-N 3.44Å; R16-R18 PolarHBondContact O-N 2.79Å
17I33.8Very low35Very low140 Ų140156.8 Ų156.872%0.71879%0.791SS**  trans-70.998.3164.6-61.7172.5000107.1P15 L19P15-I17 PolarHBondContact O-N 3.33Å; I17-L19 HydrophobicContact CG2-CD1 3.79Å; I17-L19 PolarHBondContact O-N 3.01Å
18R33.2Very low35Very low222 Ų222156.3 Ų156.384%0.83879%0.789SS**  trans-78.897165.5-78.1-176.7176.7-177-0.5107.9R16 A20R16-R18 PolarHBondContact O-N 2.79Å; R18-A20 PolarHBondContact O-N 3.21Å
19L34.3Very low35.1Very low130 Ų130160.5 Ų160.568%0.68180%0.795SS**  trans-77.799.2160.2-116.992.2000108I17 F21I17-L19 HydrophobicContact CG2-CD1 3.79Å; I17-L19 PolarHBondContact O-N 3.01Å; L19-F21 HydrophobicContact CD2-CD2 4.24Å; L19-F21 HydrophobicContact CD2-CE2 3.65Å; L19-F21 HydrophobicContact CD2-CZ 4.36Å; L19-F21 PolarHBondContact O-N 3.45Å
20A32.7Very low35.4Very low94 Ų94154.3 Ų154.378%0.77779%0.785SS**  trans-78.598.9169.800000108.9R18 R22R18-A20 PolarHBondContact O-N 3.21Å; A20-R22 PolarHBondContact O-N 2.95Å
21F33.3Very low35.9Very low173 Ų173150.8 Ų150.876%0.75977%0.774SS**  trans-76.5101.9162.4-90.7-83.6000108.4L19 L23L19-F21 HydrophobicContact CD2-CD2 4.24Å; L19-F21 HydrophobicContact CD2-CE2 3.65Å; L19-F21 HydrophobicContact CD2-CZ 4.36Å; L19-F21 PolarHBondContact O-N 3.45Å; F21-L23 PolarHBondContact O-N 3.11Å; F21-L23 VanDerWaalsContact O-N 3.13Å
22R32.3Very low36.6Very low237 Ų237153.9 Ų153.989%0.89478%0.779SS**  trans-66.1103.1162.6-92.6-176.7172.9-174.1-1.6107.8A20 V24A20-R22 PolarHBondContact O-N 2.95Å; R22-V24 PolarHBondContact O-N 3.05Å
23L35.1Very low37.4Very low167 Ų167148.4 Ų148.487%0.87477%0.769SS**  trans-67110.6161.6-95.8132.1000108.5F21F21-L23 PolarHBondContact O-N 3.11Å; F21-L23 VanDerWaalsContact O-N 3.13Å
24V36.2Very low38.1Very low132 Ų132147.6 Ų147.680%0.876%0.761SS**  trans-86.7108.5165.1175.70000107R22R22-V24 PolarHBondContact O-N 3.05Å
25S36.7Very low39.2Very low102 Ų102150.3 Ų150.371%0.71376%0.762SS**  trans-62.5143.1160.3-64.50000108.7
26C30.1Very low40.1Very low115 Ų115147.6 Ų147.678%0.77775%0.75SS**  cis-177.7-171.933.1-120.20000106.1
27P53.2Low41.4Very low111 Ų111141.9 Ų141.972%0.72174%0.737SS**  cis-136.4173.2-29.334.1-14.1000115.2
28R33.5Very low42.8Very low233 Ų233139.9 Ų139.988%0.87973%0.727SS**  trans94.988.9146.8-119.9168.5-170.8164.81.5120.5
29F33.5Very low44.3Very low194 Ų194131.9 Ų131.985%0.85171%0.708SS**  trans7.1153.2144.7-75.7-80.3000121.8
30P43.1Very low45.8Very low107 Ų107129.8 Ų129.870%0.69570%0.697SS**  cis-136.9133.540.942-23.5000116.5
31S44.6Very low47.4Very low84 Ų84130.5 Ų130.559%0.58768%0.684SS**  94.596.498.572.70000116.1L33S31-L33 PolarHBondContact O-N 2.79Å; S31-L33 VanDerWaalsContact O-N 3.16Å
32E50Low48.8Very low167 Ų167125.9 Ų125.978%0.7867%0.672SS**SBendtrans75.3-19.4141.6-62.4-171.7162.100122.1
33L47.3Very low50.2Low144 Ų144118.3 Ų118.375%0.75466%0.655SS**Hα-helixtrans-89.4-27.5173.8-10494.8000114.6S31S31-L33 PolarHBondContact O-N 2.79Å; S31-L33 VanDerWaalsContact O-N 3.16Å
34Q51.6Low51.6Low145 Ų145116.1 Ų116.168%0.67864%0.639SS**Hα-helixtrans-83.4-25-177.8-83.5160.6-4.500113.4D37 I38Q34-D37 PolarHBondContact O-N 3.07Å; Q34-I38 WeakPolarHBondContact O-CB 3.38Å; Q34-I38 WeakPolarHBondContact O-CD1 3.46Å; Q34-I38 WeakPolarHBondContact O-CG1 3.25Å; Q34-I38 PolarHBondContact O-N 3.25Å
35D54.4Low52.7Low113 Ų113114.6 Ų114.660%0.60462%0.624SS**Hα-helixtrans-71.6-34.1179.7-68.7-34000112.1A39D35-A39 WeakPolarHBondContact O-CB 3.3Å; D35-A39 PolarHBondContact O-N 3.41Å
36A58.7Low53.8Low63 Ų63112.1 Ų112.152%0.52161%0.61SS.*Hα-helixtrans-67.9-41.7174.700000111.7A39 L40A36-A39 PolarHBondContact O-N 3.01Å; A36-L40 WeakPolarHBondContact O-CB 3.33Å; A36-L40 PolarHBondContact O-N 3.43Å
37D61.9Low55.1Low106 Ų106109.2 Ų109.257%0.56759%0.594SS**Hα-helixtrans-69.4-39.1177.4-77.8-24.9000112.1Q34 H41Q34-D37 PolarHBondContact O-N 3.07Å; D37-H41 WeakPolarHBondContact O-CB 3.47Å; D37-H41 PolarHBondContact O-N 3.34Å
38I63Low55.4Low99 Ų99108.9 Ų108.951%0.50859%0.59SS.*Hα-helixtrans-68.8-42.6174.7-67.1165000110.6Q34 L40 H41 C42Q34-I38 WeakPolarHBondContact O-CB 3.38Å; Q34-I38 WeakPolarHBondContact O-CD1 3.46Å; Q34-I38 WeakPolarHBondContact O-CG1 3.25Å; Q34-I38 PolarHBondContact O-N 3.25Å; I38-L40 VanDerWaalsContact C-N 3.35Å; I38-L40 PolarHBondContact O-N 3.07Å; I38-H41 PolarHBondContact O-N 3.35Å; I38-C42 VanDerWaalsContact O-CB 3.27Å; I38-C42 WeakPolarHBondContact O-CB 3.22Å; I38-C42 PolarHBondContact O-N 3.24Å; I38-C42 PolarHBondContact O-SG 3.07Å; I38-C42 VanDerWaalsContact O-SG 3.34Å
39A64Low56.5Low53 Ų53102.2 Ų102.244%0.43857%0.571SS.*Hα-helixtrans-65.6-37.8176.300000112.2D35 A36 S43D35-A39 WeakPolarHBondContact O-CB 3.3Å; D35-A39 PolarHBondContact O-N 3.41Å; A36-A39 PolarHBondContact O-N 3.01Å; A39-S43 VanDerWaalsContact O-CB 3.23Å; A39-S43 WeakPolarHBondContact O-CB 3.46Å; A39-S43 PolarHBondContact O-N 3.29Å; A39-S43 PolarHBondContact O-OG 3.42Å
40L67.2Low57.7Low86 Ų8698 Ų9845%0.4555%0.553SS.*Hα-helixtrans-68.5-40.2174.6-176.163.8000111.2A36 I38 S43 K44A36-L40 WeakPolarHBondContact O-CB 3.33Å; A36-L40 PolarHBondContact O-N 3.43Å; I38-L40 VanDerWaalsContact C-N 3.35Å; I38-L40 PolarHBondContact O-N 3.07Å; L40-S43 PolarHBondContact O-N 3.03Å; L40-K44 HydrophobicContact CG-CD 4.18Å; L40-K44 VanDerWaalsContact O-CB 3.29Å; L40-K44 WeakPolarHBondContact O-CB 3.43Å; L40-K44 WeakPolarHBondContact O-CG 3.49Å; L40-K44 PolarHBondContact O-N 3.03Å
41H66.6Low58.4Low110 Ų11098.4 Ų98.451%0.50955%0.55SS..Hα-helixtrans-68.4-42.8176.3-170.8-166.5000111.7D37 I38 K44 M45D37-H41 WeakPolarHBondContact O-CB 3.47Å; D37-H41 PolarHBondContact O-N 3.34Å; I38-H41 PolarHBondContact O-N 3.35Å; H41-K44 PolarHBondContact O-N 3.33Å; H41-M45 WeakPolarHBondContact NE2-CE 3.48Å; H41-M45 WeakPolarHBondContact O-CB 3.35Å; H41-M45 WeakPolarHBondContact O-CG 3.31Å; H41-M45 PolarHBondContact O-N 3.29Å
42C60.9Low59.1Low76 Ų7697.3 Ų97.351%0.51454%0.541SS..Hα-helixtrans-64.4-38.8173.1-75.90000112.2I38 A46I38-C42 VanDerWaalsContact O-CB 3.27Å; I38-C42 WeakPolarHBondContact O-CB 3.22Å; I38-C42 PolarHBondContact O-N 3.24Å; I38-C42 PolarHBondContact O-SG 3.07Å; I38-C42 VanDerWaalsContact O-SG 3.34Å; C42-A46 VanDerWaalsContact O-CB 3.23Å; C42-A46 WeakPolarHBondContact O-CB 3.25Å; C42-A46 PolarHBondContact O-N 3.07Å
43S61.9Low59.6Low77 Ų7794.2 Ų94.254%0.53853%0.529SS..Hα-helixtrans-69.5-38.7175.2-64.60000112.2A39 L40 A46 A47A39-S43 VanDerWaalsContact O-CB 3.23Å; A39-S43 WeakPolarHBondContact O-CB 3.46Å; A39-S43 PolarHBondContact O-N 3.29Å; A39-S43 PolarHBondContact O-OG 3.42Å; L40-S43 PolarHBondContact O-N 3.03Å; S43-A46 PolarHBondContact O-N 3.37Å; S43-A47 WeakPolarHBondContact O-CB 3.07Å; S43-A47 PolarHBondContact O-N 3.07Å
44K64.6Low60.3Low121 Ų12193.5 Ų93.553%0.52652%0.52SS..Hα-helixtrans-64.9-44.9172.7-77170.2179.9172.80111.4L40 H41 A47 V48L40-K44 HydrophobicContact CG-CD 4.18Å; L40-K44 VanDerWaalsContact O-CB 3.29Å; L40-K44 WeakPolarHBondContact O-CB 3.43Å; L40-K44 WeakPolarHBondContact O-CG 3.49Å; L40-K44 PolarHBondContact O-N 3.03Å; H41-K44 PolarHBondContact O-N 3.33Å; K44-A47 PolarHBondContact O-N 3.45Å; K44-V48 VanDerWaalsContact O-CB 3.3Å; K44-V48 WeakPolarHBondContact O-CB 3.24Å; K44-V48 WeakPolarHBondContact O-CG2 3.41Å; K44-V48 PolarHBondContact O-N 3.06Å
45M60.4Low60.8Low100 Ų10089.2 Ų89.249%0.49351%0.51SS..Hα-helixtrans-61.6-43.9173.9-73.5-104.3-167.100111.3H41 V48 I49H41-M45 WeakPolarHBondContact NE2-CE 3.48Å; H41-M45 WeakPolarHBondContact O-CB 3.35Å; H41-M45 WeakPolarHBondContact O-CG 3.31Å; H41-M45 PolarHBondContact O-N 3.29Å; M45-V48 PolarHBondContact O-N 3.34Å; M45-I49 WeakPolarHBondContact O-CB 3.19Å; M45-I49 WeakPolarHBondContact O-CD1 3.32Å; M45-I49 WeakPolarHBondContact O-CG1 3.25Å; M45-I49 PolarHBondContact O-N 3.4Å
46A58.3Low61.3Low50 Ų5089.4 Ų89.441%0.41351%0.51SS..Hα-helixtrans-62.6-42.6175.600000111.8C42 S43 I49 Q50C42-A46 VanDerWaalsContact O-CB 3.23Å; C42-A46 WeakPolarHBondContact O-CB 3.25Å; C42-A46 PolarHBondContact O-N 3.07Å; S43-A46 PolarHBondContact O-N 3.37Å; A46-I49 PolarHBondContact O-N 3.29Å; A46-Q50 WeakPolarHBondContact O-CB 3.28Å; A46-Q50 WeakPolarHBondContact O-CG 3.29Å; A46-Q50 PolarHBondContact O-N 3.1Å
47A58.3Low62.2Low55 Ų5588.2 Ų88.246%0.45550%0.504SS..Hα-helixtrans-66.5-40.4175.300000112.5S43 K44 I49 Q50 N51S43-A47 WeakPolarHBondContact O-CB 3.07Å; S43-A47 PolarHBondContact O-N 3.07Å; K44-A47 PolarHBondContact O-N 3.45Å; A47-I49 VanDerWaalsContact C-N 3.29Å; A47-I49 PolarHBondContact O-N 3.21Å; A47-Q50 PolarHBondContact O-N 3.26Å; A47-N51 WeakPolarHBondContact O-CB 3.05Å; A47-N51 PolarHBondContact O-N 2.95Å
48V58.8Low63.3Low104 Ų10487.9 Ų87.963%0.6350%0.502SS*.Hα-helixtrans-66.8-27.9176.21680000112.2K44 M45 P52K44-V48 VanDerWaalsContact O-CB 3.3Å; K44-V48 WeakPolarHBondContact O-CB 3.24Å; K44-V48 WeakPolarHBondContact O-CG2 3.41Å; K44-V48 PolarHBondContact O-N 3.06Å; M45-V48 PolarHBondContact O-N 3.34Å; V48-P52 WeakPolarHBondContact O-CD 3.24Å; V48-P52 WeakPolarHBondContact O-CG 3.14Å
49I58Low64.6Low93 Ų9387.7 Ų87.748%0.47750%0.499SS..Hα-helixtrans-90.1-33.2177-65.2165000111.7M45 A46 A47 P52 L53M45-I49 WeakPolarHBondContact O-CB 3.19Å; M45-I49 WeakPolarHBondContact O-CD1 3.32Å; M45-I49 WeakPolarHBondContact O-CG1 3.25Å; M45-I49 PolarHBondContact O-N 3.4Å; A46-I49 PolarHBondContact O-N 3.29Å; A47-I49 VanDerWaalsContact C-N 3.29Å; A47-I49 PolarHBondContact O-N 3.21Å; I49-P52 WeakPolarHBondContact O-CD 3.49Å; I49-P52 WeakPolarHBondContact O-CG 3.45Å; I49-L53 HydrophobicContact CG2-CD1 4.06Å; I49-L53 WeakPolarHBondContact O-CD1 3.23Å; I49-L53 WeakPolarHBondContact O-CG 3.29Å
50Q57.2Low65.9Low104 Ų10492.7 Ų92.749%0.48651%0.511SS..Hα-helixtrans-75.2-31.1178.3-70.3-74.2-37.400112.8A46 A47 K54A46-Q50 WeakPolarHBondContact O-CB 3.28Å; A46-Q50 WeakPolarHBondContact O-CG 3.29Å; A46-Q50 PolarHBondContact O-N 3.1Å; A47-Q50 PolarHBondContact O-N 3.26Å; Q50-K54 WeakPolarHBondContact O-CB 3.4Å; Q50-K54 WeakPolarHBondContact O-CG 3.11Å; Q50-K54 PolarHBondContact O-N 3.02Å
51N59.3Low67.2Low116 Ų11695.9 Ų95.962%0.6252%0.518SS*.Hα-helixtrans-62-51.2175.4-105.8-12.7000114.3A47 L53 K54 A55A47-N51 WeakPolarHBondContact O-CB 3.05Å; A47-N51 PolarHBondContact O-N 2.95Å; N51-L53 PolarHBondContact O-N 3.23Å; N51-K54 PolarHBondContact O-N 2.89Å; N51-A55 VanDerWaalsContact O-CB 3.27Å; N51-A55 WeakPolarHBondContact O-CB 3.25Å; N51-A55 PolarHBondContact O-N 3.29Å
52P59.4Low68.4Low62 Ų6296.3 Ų96.340%0.40352%0.518SS..Hα-helixtrans-68.7-33.9178.925-33.1000111.8V48 I49 A55 L56V48-P52 WeakPolarHBondContact O-CD 3.24Å; V48-P52 WeakPolarHBondContact O-CG 3.14Å; I49-P52 WeakPolarHBondContact O-CD 3.49Å; I49-P52 WeakPolarHBondContact O-CG 3.45Å; P52-A55 PolarHBondContact O-N 3.48Å; P52-L56 WeakPolarHBondContact O-CB 3.46Å; P52-L56 WeakPolarHBondContact O-CD1 3.35Å; P52-L56 WeakPolarHBondContact O-CG 3.24Å; P52-L56 PolarHBondContact O-N 2.91Å
53L59.2Low70Confident101 Ų10195.7 Ų95.753%0.52951%0.51SS..Hα-helixtrans-68.8-36.7177-69.1174.8000112.8I49 N51 L56 G57I49-L53 HydrophobicContact CG2-CD1 4.06Å; I49-L53 WeakPolarHBondContact O-CD1 3.23Å; I49-L53 WeakPolarHBondContact O-CG 3.29Å; N51-L53 PolarHBondContact O-N 3.23Å; L53-L56 HydrophobicContact CD2-CD1 4.34Å; L53-G57 PolarHBondContact O-N 3.31Å
54K62Low71.6Confident130 Ų13093.5 Ų93.557%0.56550%0.497SS*.Hα-helixtrans-69.5-42.9170.4-73.5179.1-178.6-177.80111.6Q50 N51 L56 G57 D58Q50-K54 WeakPolarHBondContact O-CB 3.4Å; Q50-K54 WeakPolarHBondContact O-CG 3.11Å; Q50-K54 PolarHBondContact O-N 3.02Å; N51-K54 PolarHBondContact O-N 2.89Å; K54-L56 VanDerWaalsContact C-N 3.28Å; K54-L56 PolarHBondContact O-N 2.94Å; K54-G57 PolarHBondContact O-N 3.31Å; K54-G57 VanDerWaalsContact O-N 3.14Å; K54-D58 WeakPolarHBondContact O-CB 3.04Å; K54-D58 PolarHBondContact O-N 3.43Å
55A63.1Low73.1Confident55 Ų5590.4 Ų90.446%0.45549%0.485SS..Hα-helixtrans-61.6-34.9175.800000112.6N51 P52 Q59N51-A55 VanDerWaalsContact O-CB 3.27Å; N51-A55 WeakPolarHBondContact O-CB 3.25Å; N51-A55 PolarHBondContact O-N 3.29Å; P52-A55 PolarHBondContact O-N 3.48Å; A55-Q59 VanDerWaalsContact O-CB 3.31Å; A55-Q59 WeakPolarHBondContact O-CB 3.15Å; A55-Q59 PolarHBondContact O-N 3.34Å
56L65.3Low74.8Confident117 Ų11790.8 Ų90.861%0.61349%0.486SS*.Hα-helixtrans-67.9-40.2173.6-75.4166.3000112.1P52 L53 K54 F60P52-L56 WeakPolarHBondContact O-CB 3.46Å; P52-L56 WeakPolarHBondContact O-CD1 3.35Å; P52-L56 WeakPolarHBondContact O-CG 3.24Å; P52-L56 PolarHBondContact O-N 2.91Å; L53-L56 HydrophobicContact CD2-CD1 4.34Å; K54-L56 VanDerWaalsContact C-N 3.28Å; K54-L56 PolarHBondContact O-N 2.94Å; L56-F60 WeakPolarHBondContact O-CB 3.41Å; L56-F60 PolarHBondContact O-N 3.4Å
57G77.6Confident76.6Confident38 Ų3895 Ų9539%0.39250%0.497SS..Hα-helixtrans-67.6-39.7174.500000112.9L53 K54 F60 Y61L53-G57 PolarHBondContact O-N 3.31Å; K54-G57 PolarHBondContact O-N 3.31Å; K54-G57 VanDerWaalsContact O-N 3.14Å; G57-F60 PolarHBondContact O-N 3.44Å; G57-Y61 WeakPolarHBondContact O-CB 3.08Å; G57-Y61 PolarHBondContact O-N 3.2Å
58D85.3Confident78.4Confident99 Ų9996 Ų9653%0.52950%0.5SS..Hα-helixtrans-67.8-37.4175.7-71.4-13.8000111.3K54 Y61 K62K54-D58 WeakPolarHBondContact O-CB 3.04Å; K54-D58 PolarHBondContact O-N 3.43Å; D58-Y61 PolarHBondContact O-N 3.47Å; D58-K62 WeakPolarHBondContact O-CB 3.48Å; D58-K62 VanDerWaalsContact O-CG 3.27Å; D58-K62 WeakPolarHBondContact O-CG 3.37Å; D58-K62 PolarHBondContact O-N 3.17Å
59Q88.3Confident80.2Confident94 Ų9499.2 Ų99.244%0.43950%0.501SS..Hα-helixtrans-66.1-46.7174.1-168.759.948.200111.1A55 Y61 K62 D63A55-Q59 VanDerWaalsContact O-CB 3.31Å; A55-Q59 WeakPolarHBondContact O-CB 3.15Å; A55-Q59 PolarHBondContact O-N 3.34Å; Q59-Y61 VanDerWaalsContact C-N 3.28Å; Q59-Y61 PolarHBondContact O-N 3.05Å; Q59-K62 PolarHBondContact O-N 3.04Å; Q59-D63 PolarHBondContact NE2-OD1 2.92Å; Q59-D63 PolarHBondContact O-N 2.81Å
60F92.4Very high81.9Confident159 Ų15998.1 Ų98.170%0.69750%0.501SS*.Hα-helixtrans-58.3-40.3174.6177.2-95.5000112.4L56 G57 A64L56-F60 WeakPolarHBondContact O-CB 3.41Å; L56-F60 PolarHBondContact O-N 3.4Å; G57-F60 PolarHBondContact O-N 3.44Å; F60-A64 VanDerWaalsContact O-CB 3.31Å; F60-A64 WeakPolarHBondContact O-CB 3.45Å; F60-A64 PolarHBondContact O-N 3.11Å
61Y93.7Very high83.8Confident153 Ų15399.2 Ų99.260%0.650%0.502SS*.Hα-helixtrans-68.6-39.4177.8-175.3-106.9000112.5G57 D58 Q59 A64 I65G57-Y61 WeakPolarHBondContact O-CB 3.08Å; G57-Y61 PolarHBondContact O-N 3.2Å; D58-Y61 PolarHBondContact O-N 3.47Å; Q59-Y61 VanDerWaalsContact C-N 3.28Å; Q59-Y61 PolarHBondContact O-N 3.05Å; Y61-A64 PolarHBondContact O-N 2.9Å; Y61-I65 HydrophobicContact CD1-CD1 3.8Å; Y61-I65 HydrophobicContact CE1-CD1 3.26Å; Y61-I65 HydrophobicContact CE1-CG1 4.22Å; Y61-I65 HydrophobicContact CE2-CD1 4.37Å; Y61-I65 WeakPolarHBondContact O-CG1 3.29Å; Y61-I65 PolarHBondContact O-N 3.12Å
62K93.6Very high85.6Confident118 Ų11898 Ų9851%0.51350%0.495SS..Hα-helixtrans-61-49.8172.7-75.6173.7-177.7179.60111.1D58 Q59 A64 I65 E66D58-K62 WeakPolarHBondContact O-CB 3.48Å; D58-K62 VanDerWaalsContact O-CG 3.27Å; D58-K62 WeakPolarHBondContact O-CG 3.37Å; D58-K62 PolarHBondContact O-N 3.17Å; Q59-K62 PolarHBondContact O-N 3.04Å; K62-A64 VanDerWaalsContact C-N 3.28Å; K62-A64 PolarHBondContact O-N 2.92Å; K62-I65 PolarHBondContact O-N 2.91Å; K62-I65 VanDerWaalsContact O-N 3.12Å; K62-E66 WeakPolarHBondContact O-CG 3.36Å; K62-E66 PolarHBondContact O-N 2.94Å
63D93.3Very high87.3Confident64 Ų6497 Ų9734%0.34249%0.493SS..Hα-helixtrans-59.6-41.1178.4-63.6-5.8000110.7Q59 E66 Q67Q59-D63 PolarHBondContact NE2-OD1 2.92Å; Q59-D63 PolarHBondContact O-N 2.81Å; D63-E66 PolarHBondContact O-N 2.78Å; D63-Q67 WeakPolarHBondContact O-CB 3.41Å; D63-Q67 VanDerWaalsContact O-CG 3.28Å; D63-Q67 WeakPolarHBondContact O-CG 3.37Å; D63-Q67 PolarHBondContact O-N 2.96Å
64A95.7Very high89Confident31 Ų3195.5 Ų95.526%0.25648%0.48SS..Hα-helixtrans-64-40.8176.200000112.9F60 Y61 K62 C68F60-A64 VanDerWaalsContact O-CB 3.31Å; F60-A64 WeakPolarHBondContact O-CB 3.45Å; F60-A64 PolarHBondContact O-N 3.11Å; Y61-A64 PolarHBondContact O-N 2.9Å; K62-A64 VanDerWaalsContact C-N 3.28Å; K62-A64 PolarHBondContact O-N 2.92Å; A64-C68 WeakPolarHBondContact O-CB 3.44Å; A64-C68 PolarHBondContact O-N 3.1Å; A64-C68 PolarHBondContact O-SG 2.97Å
65I96.5Very high90.6Very high56 Ų5693.1 Ų93.129%0.28747%0.473SS..Hα-helixtrans-65.1-42.5174.3-72.7174.4000110.5Y61 K62 C68 R69Y61-I65 HydrophobicContact CD1-CD1 3.8Å; Y61-I65 HydrophobicContact CE1-CD1 3.26Å; Y61-I65 HydrophobicContact CE1-CG1 4.22Å; Y61-I65 HydrophobicContact CE2-CD1 4.37Å; Y61-I65 WeakPolarHBondContact O-CG1 3.29Å; Y61-I65 PolarHBondContact O-N 3.12Å; K62-I65 PolarHBondContact O-N 2.91Å; K62-I65 VanDerWaalsContact O-N 3.12Å; I65-C68 WeakPolarHBondContact O-CB 3.25Å; I65-C68 PolarHBondContact O-N 2.93Å; I65-R69 HydrophobicContact CG2-CG 4.39Å; I65-R69 WeakPolarHBondContact O-CG 3.34Å; I65-R69 PolarHBondContact O-N 3.37Å
66E95.1Very high92.1Very high107 Ų10794.6 Ų94.650%0.548%0.479SS..Hα-helixtrans-63.1-45.1178.6-74.1177.4-168.900111.2K62 D63 C68 R69 S70K62-E66 WeakPolarHBondContact O-CG 3.36Å; K62-E66 PolarHBondContact O-N 2.94Å; D63-E66 PolarHBondContact O-N 2.78Å; E66-C68 VanDerWaalsContact C-N 3.31Å; E66-C68 PolarHBondContact O-N 2.94Å; E66-R69 WeakPolarHBondContact O-CB 3.38Å; E66-R69 PolarHBondContact O-N 3.08Å; E66-R69 VanDerWaalsContact O-N 3.11Å; E66-S70 PolarHBondContact O-N 3.45Å; E66-S70 PolarHBondContact O-OG 3.42Å
67Q96.3Very high93.4Very high139 Ų13989.4 Ų89.465%0.6545%0.453SS*.Hα-helixtrans-58.1-42.1172.1-72.5173.89.600112.1D63 R69 S70 Y71D63-Q67 WeakPolarHBondContact O-CB 3.41Å; D63-Q67 VanDerWaalsContact O-CG 3.28Å; D63-Q67 WeakPolarHBondContact O-CG 3.37Å; D63-Q67 PolarHBondContact O-N 2.96Å; Q67-R69 VanDerWaalsContact C-N 3.35Å; Q67-R69 PolarHBondContact O-N 3.34Å; Q67-S70 PolarHBondContact O-N 3.45Å; Q67-Y71 WeakPolarHBondContact O-CB 3.03Å; Q67-Y71 PolarHBondContact O-N 3.33Å
68C97.2Very high94.2Very high76 Ų7690.6 Ų90.651%0.51445%0.448SS..Hα-helixtrans-63.6-39.6175.7-70.10000112.2A64 I65 E66 N72A64-C68 WeakPolarHBondContact O-CB 3.44Å; A64-C68 PolarHBondContact O-N 3.1Å; A64-C68 PolarHBondContact O-SG 2.97Å; I65-C68 WeakPolarHBondContact O-CB 3.25Å; I65-C68 PolarHBondContact O-N 2.93Å; E66-C68 VanDerWaalsContact C-N 3.31Å; E66-C68 PolarHBondContact O-N 2.94Å; C68-N72 WeakPolarHBondContact O-CB 3.3Å; C68-N72 PolarHBondContact O-N 2.97Å; C68-N72 PolarHBondContact O-ND2 3.31Å
69R95.8Very high94.6Very high171 Ų17192.4 Ų92.465%0.64545%0.448SS*.Hα-helixtrans-65.2-46.8175.8-72.9172.2-179.21761.2111.1I65 E66 Q67 Y71 N72 A73I65-R69 HydrophobicContact CG2-CG 4.39Å; I65-R69 WeakPolarHBondContact O-CG 3.34Å; I65-R69 PolarHBondContact O-N 3.37Å; E66-R69 WeakPolarHBondContact O-CB 3.38Å; E66-R69 PolarHBondContact O-N 3.08Å; E66-R69 VanDerWaalsContact O-N 3.11Å; Q67-R69 VanDerWaalsContact C-N 3.35Å; Q67-R69 PolarHBondContact O-N 3.34Å; R69-Y71 PolarHBondContact O-N 3.33Å; R69-N72 PolarHBondContact O-N 3.46Å; R69-A73 WeakPolarHBondContact O-CB 3.18Å; R69-A73 PolarHBondContact O-N 2.75Å
70S94.4Very high94.8Very high71 Ų7190 Ų9050%0.49744%0.441SS..Hα-helixtrans-60.6-43.6177-620000111.8E66 Q67 A73 R74E66-S70 PolarHBondContact O-N 3.45Å; E66-S70 PolarHBondContact O-OG 3.42Å; Q67-S70 PolarHBondContact O-N 3.45Å; S70-A73 PolarHBondContact O-N 3.48Å; S70-R74 PolarHBondContact O-N 3.37Å
71Y97.1Very high94.8Very high127 Ų12786.8 Ų86.850%0.49843%0.434SS..Hα-helixtrans-61-45.7174176.6-98.5000112.2Q67 R69 A73 R74 L75Q67-Y71 WeakPolarHBondContact O-CB 3.03Å; Q67-Y71 PolarHBondContact O-N 3.33Å; R69-Y71 PolarHBondContact O-N 3.33Å; Y71-A73 VanDerWaalsContact C-N 3.33Å; Y71-A73 PolarHBondContact O-N 2.74Å; Y71-R74 PolarHBondContact O-N 3.36Å; Y71-L75 HydrophobicContact CE1-CD2 4.34Å; Y71-L75 WeakPolarHBondContact O-CB 3.26Å; Y71-L75 PolarHBondContact O-N 3.49Å
72N96.8Very high94.7Very high90 Ų9087.2 Ų87.248%0.48144%0.435SS..Hα-helixtrans-63.3-38.4177.7-75.2-20.3000112.2C68 R69 L75 C76C68-N72 WeakPolarHBondContact O-CB 3.3Å; C68-N72 PolarHBondContact O-N 2.97Å; C68-N72 PolarHBondContact O-ND2 3.31Å; R69-N72 PolarHBondContact O-N 3.46Å; N72-L75 PolarHBondContact O-N 3.46Å; N72-C76 PolarHBondContact O-N 3.29Å; N72-C76 PolarHBondContact O-SG 3.29Å
73A94.4Very high94.6Very high42 Ų4284 Ų8435%0.34742%0.423SS..Hα-helixtrans-62.1-48.2174.800000111R69 S70 Y71 L75 C76 A77R69-A73 WeakPolarHBondContact O-CB 3.18Å; R69-A73 PolarHBondContact O-N 2.75Å; S70-A73 PolarHBondContact O-N 3.48Å; Y71-A73 VanDerWaalsContact C-N 3.33Å; Y71-A73 PolarHBondContact O-N 2.74Å; A73-L75 VanDerWaalsContact C-N 3.35Å; A73-L75 PolarHBondContact O-N 3.34Å; A73-C76 PolarHBondContact O-N 3.01Å; A73-A77 PolarHBondContact O-N 3.47Å
74R94.7Very high94.7Very high68 Ų6884.9 Ų84.926%0.25743%0.432SS..Hα-helixtrans-57.5-46.1174.7-163.1-169.6-59.5125.8-6.8112S70 Y71 C76 A77 E78 V189 D193S70-R74 PolarHBondContact O-N 3.37Å; Y71-R74 PolarHBondContact O-N 3.36Å; R74-C76 VanDerWaalsContact C-N 3.32Å; R74-C76 PolarHBondContact O-N 3.37Å; R74-A77 PolarHBondContact O-N 3.49Å; R74-E78 WeakPolarHBondContact O-CG 3.49Å; R74-E78 PolarHBondContact O-N 3.48Å; R74-V189 HydrophobicContact CB-CG1 3.99Å; R74-V189 HydrophobicContact CG-CG1 4.15Å; R74-D193 IonicContact CZ-OD1 2.8Å; R74-D193 IonicContact NE-OD1 3.27Å; R74-D193 PolarHBondContact NE-OD1 3.34Å; R74-D193 IonicContact NE-OD2 2.83Å; R74-D193 IonicContact NH2-OD1 3.68Å; R74-D193 PolarHBondContact NH2-OD1 3.41Å
75L96Very high94.6Very high81 Ų8189 Ų8942%0.42445%0.445SS..Hα-helixtrans-61.5-39.8178.8-171.368.4000112.2Y71 N72 A73 R79Y71-L75 HydrophobicContact CE1-CD2 4.34Å; Y71-L75 WeakPolarHBondContact O-CB 3.26Å; Y71-L75 PolarHBondContact O-N 3.49Å; N72-L75 PolarHBondContact O-N 3.46Å; A73-L75 VanDerWaalsContact C-N 3.35Å; A73-L75 PolarHBondContact O-N 3.34Å; L75-R79 VanDerWaalsContact O-CB 3.24Å; L75-R79 WeakPolarHBondContact O-CB 3.49Å; L75-R79 PolarHBondContact O-N 2.83Å
76C94.9Very high94.6Very high85 Ų8592.2 Ų92.257%0.57446%0.462SS*.Hα-helixtrans-67.8-43.5176.2-68.40000111.9N72 A73 R74 R79 S80N72-C76 PolarHBondContact O-N 3.29Å; N72-C76 PolarHBondContact O-SG 3.29Å; A73-C76 PolarHBondContact O-N 3.01Å; R74-C76 VanDerWaalsContact C-N 3.32Å; R74-C76 PolarHBondContact O-N 3.37Å; C76-R79 PolarHBondContact O-N 2.89Å; C76-S80 PolarHBondContact O-N 3.41Å
77A91.9Very high94.6Very high8 Ų888.4 Ų88.47%0.06645%0.445CS..Hα-helixtrans-58.7-53.7176.100000110.5A73 R74 R79 S80 V81 I186 V189A73-A77 PolarHBondContact O-N 3.47Å; R74-A77 PolarHBondContact O-N 3.49Å; A77-R79 VanDerWaalsContact C-N 3.32Å; A77-R79 PolarHBondContact O-N 3.1Å; A77-S80 PolarHBondContact O-N 3.5Å; A77-S80 VanDerWaalsContact O-N 3.08Å; A77-S80 PolarHBondContact O-OG 3.33Å; A77-V81 WeakPolarHBondContact O-CG2 3.45Å; A77-V81 PolarHBondContact O-N 3.47Å; A77-V81 VanDerWaalsContact O-N 3.1Å; A77-I186 HydrophobicContact CB-CB 4.3Å; A77-I186 HydrophobicContact CB-CG1 3.84Å; A77-I186 HydrophobicContact CB-CG2 4.36Å; A77-V189 HydrophobicContact CB-CB 4.48Å; A77-V189 HydrophobicContact CB-CG1 4.32Å
78E94.8Very high94.6Very high63 Ų6387.4 Ų87.429%0.29445%0.453SS..Hα-helixtrans-59.5-40.9177.9-71.5-174.2-16100113.2R74 S80 V81 R82R74-E78 WeakPolarHBondContact O-CG 3.49Å; R74-E78 PolarHBondContact O-N 3.48Å; E78-S80 VanDerWaalsContact C-N 3.28Å; E78-S80 PolarHBondContact O-N 2.93Å; E78-V81 PolarHBondContact O-N 3.42Å; E78-R82 WeakPolarHBondContact O-CG 3.46Å; E78-R82 PolarHBondContact O-N 2.87Å; E78-R82 IonicContact OE2-CZ 3.31Å; E78-R82 VanDerWaalsContact OE2-CZ 3.27Å; E78-R82 IonicContact OE2-NH1 3.07Å; E78-R82 PolarHBondContact OE2-NH1 3.24Å; E78-R82 IonicContact OE2-NH2 3.36Å; E78-R82 PolarHBondContact OE2-NH2 3.39Å
79R94.9Very high94.6Very high137 Ų13792.3 Ų92.352%0.51747%0.469SS..Hα-helixtrans-59.5-41.7176.4-178.9-178-171.1-90-4.7111.2L75 C76 A77 R82 L83 N96L75-R79 VanDerWaalsContact O-CB 3.24Å; L75-R79 WeakPolarHBondContact O-CB 3.49Å; L75-R79 PolarHBondContact O-N 2.83Å; C76-R79 PolarHBondContact O-N 2.89Å; A77-R79 VanDerWaalsContact C-N 3.32Å; A77-R79 PolarHBondContact O-N 3.1Å; R79-R82 PolarHBondContact O-N 2.93Å; R79-L83 WeakPolarHBondContact O-CG 3.24Å; R79-L83 PolarHBondContact O-N 2.95Å; R79-N96 VanDerWaalsContact CZ-OD1 3.29Å; R79-N96 PolarHBondContact NH1-OD1 3.39Å; R79-N96 PolarHBondContact NH2-OD1 2.85Å
80S91.7Very high94.6Very high44 Ų4488.2 Ų88.231%0.30846%0.463SS..Hα-helixtrans-68.4-37.9-179.471.20000112.5C76 A77 E78 R82 L83 I186C76-S80 PolarHBondContact O-N 3.41Å; A77-S80 PolarHBondContact O-N 3.5Å; A77-S80 VanDerWaalsContact O-N 3.08Å; A77-S80 PolarHBondContact O-OG 3.33Å; E78-S80 VanDerWaalsContact C-N 3.28Å; E78-S80 PolarHBondContact O-N 2.93Å; S80-R82 VanDerWaalsContact C-N 3.31Å; S80-R82 PolarHBondContact O-N 2.84Å; S80-L83 PolarHBondContact O-N 3.47Å; S80-I186 WeakPolarHBondContact OG-CD1 3.37Å
81V91.7Very high94.6Very high91 Ų9187.5 Ų87.555%0.55247%0.467SS*.Hα-helixtrans-68.1-30.2177.6178.10000112.4A77 E78 I186A77-V81 WeakPolarHBondContact O-CG2 3.45Å; A77-V81 PolarHBondContact O-N 3.47Å; A77-V81 VanDerWaalsContact O-N 3.1Å; E78-V81 PolarHBondContact O-N 3.42Å; V81-I186 HydrophobicContact CG2-CD1 3.94Å; V81-I186 HydrophobicContact CG2-CG1 4.34Å; V81-I186 HydrophobicContact CG2-CG2 3.45Å; V81-I186 VanDerWaalsContact CG2-CG2 3.45Å
82R93Very high94.6Very high162 Ų16285.1 Ų85.161%0.61147%0.465SS*.THydrogen-bonded Turntrans-81.7-11.7179.7-68.2179.9-172.5117.94.6113.9E78 R79 S80E78-R82 WeakPolarHBondContact O-CG 3.46Å; E78-R82 PolarHBondContact O-N 2.87Å; E78-R82 IonicContact OE2-CZ 3.31Å; E78-R82 VanDerWaalsContact OE2-CZ 3.27Å; E78-R82 IonicContact OE2-NH1 3.07Å; E78-R82 PolarHBondContact OE2-NH1 3.24Å; E78-R82 IonicContact OE2-NH2 3.36Å; E78-R82 PolarHBondContact OE2-NH2 3.39Å; R79-R82 PolarHBondContact O-N 2.93Å; S80-R82 VanDerWaalsContact C-N 3.31Å; S80-R82 PolarHBondContact O-N 2.84Å
83L91.5Very high94.6Very high52 Ų5283.8 Ų83.827%0.27247%0.466SS..PPolyproline II helixtrans-89.4144.3177.7-73172.5000110.9R79 S80R79-L83 WeakPolarHBondContact O-CG 3.24Å; R79-L83 PolarHBondContact O-N 2.95Å; S80-L83 PolarHBondContact O-N 3.47Å
84P94.6Very high94.6Very high82 Ų8285.9 Ų85.953%0.53247%0.469SS..SBendcis-78.8142.4-0.732.1-34.4000113.2A93 Q94P84-A93 HydrophobicContact CB-CB 4.22Å; P84-A93 HydrophobicContact CG-CB 4.5Å; P84-Q94 CarbonylContact C-O 3.53Å; P84-Q94 WeakPolarHBondContact CA-O 3.48Å
85F94.1Very high94.7Very high117 Ų11787.1 Ų87.151%0.51348%0.481SS..EExtended strand (participates in β ladder)trans-79.3125.6177.4173.5-103.2000110.8D87 A93 Q94F85-D87 HydrophobicContact CE1-CB 4.08Å; F85-A93 CarbonylContact O-C 3.48Å; F85-A93 WeakPolarHBondContact O-CA 3.17Å; F85-Q94 HydrophobicContact CB-CB 4.48Å; F85-Q94 HydrophobicContact CD1-CB 4.41Å; F85-Q94 PolarHBondContact N-O 2.9Å; F85-Q94 PolarHBondContact O-N 3.04Å
86L96Very high94.6Very high124 Ų12487.1 Ų87.165%0.64948%0.481SS*.EExtended strand (participates in β ladder)trans-92.6107.4179.2-169.366.6000110.8S88 A93L86-S88 PolarHBondContact O-N 2.87Å; L86-A93 HydrophobicContact CD1-CB 4.3Å
87D95.6Very high94.5Very high27 Ų2786.3 Ų86.314%0.14448%0.476CS..  trans-77115.9176.8174.913.9000111F85 Q89 T90 G91 V92F85-D87 HydrophobicContact CE1-CB 4.08Å; D87-Q89 VanDerWaalsContact C-N 3.29Å; D87-Q89 PolarHBondContact O-N 3.37Å; D87-Q89 PolarHBondContact OD1-N 2.87Å; D87-T90 WeakPolarHBondContact CB-OG1 3.43Å; D87-T90 VanDerWaalsContact CG-OG1 3.27Å; D87-T90 WeakPolarHBondContact OD2-CB 3.4Å; D87-T90 VanDerWaalsContact OD2-CG2 3.24Å; D87-T90 WeakPolarHBondContact OD2-CG2 3.24Å; D87-T90 PolarHBondContact OD2-OG1 3.48Å; D87-G91 VanDerWaalsContact O-CA 3.25Å; D87-G91 WeakPolarHBondContact O-CA 3.5Å; D87-G91 PolarHBondContact O-N 3.43Å; D87-V92 PolarHBondContact N-O 3.37Å
88S95.9Very high94.7Very high117 Ų11792.5 Ų92.582%0.81850%0.498SS*.THydrogen-bonded Turntrans-61.8-28.3-179.4640000115L86L86-S88 PolarHBondContact O-N 2.87Å
89Q97Very high94.7Very high180 Ų18095.5 Ų95.584%0.84152%0.515SS*.THydrogen-bonded Turntrans-84.1-39-176.3-65.4-177.19.100111.9D87D87-Q89 VanDerWaalsContact C-N 3.29Å; D87-Q89 PolarHBondContact O-N 3.37Å; D87-Q89 PolarHBondContact OD1-N 2.87Å
90T95.7Very high94.7Very high85 Ų8599.1 Ų99.152%0.52153%0.529SS..THydrogen-bonded Turntrans-99.5-16.5-176.863.90000113.5D87 V92D87-T90 WeakPolarHBondContact CB-OG1 3.43Å; D87-T90 VanDerWaalsContact CG-OG1 3.27Å; D87-T90 WeakPolarHBondContact OD2-CB 3.4Å; D87-T90 VanDerWaalsContact OD2-CG2 3.24Å; D87-T90 WeakPolarHBondContact OD2-CG2 3.24Å; D87-T90 PolarHBondContact OD2-OG1 3.48Å; T90-V92 PolarHBondContact O-N 3.35Å; T90-V92 WeakPolarHBondContact OG1-CB 3.4Å; T90-V92 WeakPolarHBondContact OG1-CG2 3.37Å; T90-V92 PolarHBondContact OG1-N 3.1Å
91G95.3Very high94.9Very high56 Ų56100.1 Ų100.158%0.57753%0.53SS*.  trans68.29.1-171.600000113.6D87D87-G91 VanDerWaalsContact O-CA 3.25Å; D87-G91 WeakPolarHBondContact O-CA 3.5Å; D87-G91 PolarHBondContact O-N 3.43Å
92V96.7Very high95.2Very high76 Ų76101.4 Ų101.446%0.46153%0.53SS..  trans-83.1126.5-1781780000109.6D87 T90 Q94D87-V92 PolarHBondContact N-O 3.37Å; T90-V92 PolarHBondContact O-N 3.35Å; T90-V92 WeakPolarHBondContact OG1-CB 3.4Å; T90-V92 WeakPolarHBondContact OG1-CG2 3.37Å; T90-V92 PolarHBondContact OG1-N 3.1Å; V92-Q94 HydrophobicContact CB-CG 4.42Å; V92-Q94 HydrophobicContact CG1-CG 4Å; V92-Q94 PolarHBondContact O-N 3.39Å
93A96.8Very high95.3Very high62 Ų62103.7 Ų103.751%0.51254%0.538SS..EExtended strand (participates in β ladder)trans-77.697165.800000109P84 F85 L86P84-A93 HydrophobicContact CB-CB 4.22Å; P84-A93 HydrophobicContact CG-CB 4.5Å; F85-A93 CarbonylContact O-C 3.48Å; F85-A93 WeakPolarHBondContact O-CA 3.17Å; L86-A93 HydrophobicContact CD1-CB 4.3Å
94Q94.8Very high95.6Very high87 Ų87107.5 Ų107.541%0.40755%0.554SS.*EExtended strand (participates in β ladder)trans-79.8139.7-177.2-61.9-178.1-1000111.1P84 F85 V92P84-Q94 CarbonylContact C-O 3.53Å; P84-Q94 WeakPolarHBondContact CA-O 3.48Å; F85-Q94 HydrophobicContact CB-CB 4.48Å; F85-Q94 HydrophobicContact CD1-CB 4.41Å; F85-Q94 PolarHBondContact N-O 2.9Å; F85-Q94 PolarHBondContact O-N 3.04Å; V92-Q94 HydrophobicContact CB-CG 4.42Å; V92-Q94 HydrophobicContact CG1-CG 4Å; V92-Q94 PolarHBondContact O-N 3.39Å
95N94.8Very high95.7Very high94 Ų94106.8 Ų106.850%0.50354%0.544SS..  trans-129.1-170.1170.6-155.5-34.4000108.4C97N95-C97 PolarHBondContact O-N 3.49Å
96N95.1Very high95.9Very high80 Ų80106.1 Ų106.143%0.42854%0.538SS..  trans-50.4126.1170.9-63.4-37.9000110.2R79R79-N96 VanDerWaalsContact CZ-OD1 3.29Å; R79-N96 PolarHBondContact NH1-OD1 3.39Å; R79-N96 PolarHBondContact NH2-OD1 2.85Å
97C93Very high95.9Very high68 Ų68102.9 Ų102.946%0.45953%0.526SS..  trans-119153.7177.163.90000110.1N95 I99N95-C97 PolarHBondContact O-N 3.49Å; C97-I99 HydrophobicContact CB-CG1 4.39Å; C97-I99 HydrophobicContact CB-CG2 4.5Å
98Y94.9Very high96Very high138 Ų138106.7 Ų106.754%0.54155%0.552SS.*  trans-116.130.5-179.2-55-84.4000111W100 R121Y98-W100 VanDerWaalsContact C-N 3.34Å; Y98-R121 VanDerWaalsContact CE2-CZ 3.47Å
99I94.6Very high96.1Very high126 Ų126102.5 Ų102.565%0.64653%0.527SS*.  trans-79.4-23.3-179.863.3178.5000111.9C97 M101C97-I99 HydrophobicContact CB-CG1 4.39Å; C97-I99 HydrophobicContact CB-CG2 4.5Å; I99-M101 PolarHBondContact O-N 3.27Å
100W95.9Very high96Very high213 Ų213100 Ų10081%0.80752%0.523SS*.  trans-84.4107.5179.1-57.5108.4000108.8Y98Y98-W100 VanDerWaalsContact C-N 3.34Å
101M96.6Very high96Very high66 Ų6698.8 Ų98.833%0.32552%0.522SS..  trans-119.3135.4-179.8-63.6-66.9-95.200110.1I99 H105 Y118 P119I99-M101 PolarHBondContact O-N 3.27Å; M101-H105 HydrophobicContact CE-CB 4.18Å; M101-Y118 HydrophobicContact CB-CD1 3.53Å; M101-Y118 HydrophobicContact CB-CE1 3.65Å; M101-Y118 HydrophobicContact CB-CG 4.41Å; M101-Y118 HydrophobicContact CE-CD1 4.18Å; M101-Y118 HydrophobicContact CG-CD1 3.98Å; M101-Y118 HydrophobicContact CG-CG 4.48Å; M101-P119 HydrophobicContact CE-CB 4.05Å; M101-P119 HydrophobicContact CE-CG 4.08Å
102E96.6Very high96.1Very high118 Ų118101.5 Ų101.555%0.55154%0.539SS*.  trans-75.8163.5179.2-61.8-169.8-147.400112.9H104 H105E102-H104 VanDerWaalsContact C-N 3.27Å; E102-H104 PolarHBondContact O-N 3.43Å; E102-H104 IonicContact OE2-CD2 3.64Å; E102-H104 IonicContact OE2-CE1 2.76Å; E102-H104 IonicContact OE2-NE2 3.02Å; E102-H104 PolarHBondContact OE2-NE2 2.99Å; E102-H105 PolarHBondContact N-ND1 3.31Å; E102-H105 WeakPolarHBondContact O-CB 3.13Å; E102-H105 PolarHBondContact O-N 3.28Å; E102-H105 VanDerWaalsContact O-N 3.09Å
103R96.7Very high96.1Very high210 Ų210101.9 Ų101.979%0.79256%0.558SS**G310 helixtrans-60.8-36.7179.2-178.9-178.5-109.7-168.3-4.1111.9H105 R106R103-H105 PolarHBondContact O-N 3.33Å; R103-R106 WeakPolarHBondContact O-CB 3.35Å; R103-R106 PolarHBondContact O-N 3.04Å; R103-R106 VanDerWaalsContact O-N 3.09Å
104H96.9Very high96.1Very high132 Ų132102.6 Ų102.661%0.61155%0.551SS**G310 helixtrans-70.5-17.1178.660.950.6000113.4E102 R106E102-H104 VanDerWaalsContact C-N 3.27Å; E102-H104 PolarHBondContact O-N 3.43Å; E102-H104 IonicContact OE2-CD2 3.64Å; E102-H104 IonicContact OE2-CE1 2.76Å; E102-H104 IonicContact OE2-NE2 3.02Å; E102-H104 PolarHBondContact OE2-NE2 2.99Å; H104-R106 PolarHBondContact O-N 3.37Å
105H97.3Very high96.2Very high67 Ų67105.4 Ų105.431%0.3157%0.566SS.*G310 helixtrans-79.5-3.3171.7-62.9150.4000112.9M101 E102 R103 S107 Y118 P119M101-H105 HydrophobicContact CE-CB 4.18Å; E102-H105 PolarHBondContact N-ND1 3.31Å; E102-H105 WeakPolarHBondContact O-CB 3.13Å; E102-H105 PolarHBondContact O-N 3.28Å; E102-H105 VanDerWaalsContact O-N 3.09Å; R103-H105 PolarHBondContact O-N 3.33Å; H105-S107 PolarHBondContact O-N 2.81Å; H105-Y118 HydrophobicContact CB-CD1 4Å; H105-Y118 HydrophobicContact CB-CE1 4.36Å; H105-Y118 WeakPolarHBondContact O-CD1 3.43Å; H105-P119 HydrophobicContact CB-CG 4.39Å; H105-P119 WeakPolarHBondContact O-CD 3.48Å
106R97.6Very high96.4Very high102 Ų102106.4 Ų106.439%0.38556%0.564SS.*  trans-81.5109.4179.1-173.7-173.3-73.9-167.7-0.2109.7R103 H104 Y116 Y118R103-R106 WeakPolarHBondContact O-CB 3.35Å; R103-R106 PolarHBondContact O-N 3.04Å; R103-R106 VanDerWaalsContact O-N 3.09Å; H104-R106 PolarHBondContact O-N 3.37Å; R106-Y116 VanDerWaalsContact CD-CD1 3.43Å; R106-Y116 HydrophobicContact CG-CD1 3.5Å; R106-Y116 VanDerWaalsContact CG-CD1 3.5Å; R106-Y116 HydrophobicContact CG-CD2 4.25Å; R106-Y116 HydrophobicContact CG-CE1 4.16Å; R106-Y116 HydrophobicContact CG-CG 3.55Å; R106-Y118 HydrophobicContact CB-CE1 3.99Å; R106-Y118 PolarHBondContact NE-OH 3.43Å; R106-Y118 VanDerWaalsContact NE-OH 3.17Å
107S96.7Very high96.5Very high57 Ų57104.1 Ų104.140%0.39955%0.553SS.*EExtended strand (participates in β ladder)trans-97.9162.4171.5-53.40000110.8H105 Y116 T117H105-S107 PolarHBondContact O-N 2.81Å; S107-Y116 CarbonylContact O-C 3.55Å; S107-Y116 VanDerWaalsContact O-CA 3.25Å; S107-Y116 WeakPolarHBondContact O-CA 3.48Å; S107-T117 WeakPolarHBondContact CA-O 3.47Å; S107-T117 WeakPolarHBondContact CB-O 3.45Å; S107-T117 PolarHBondContact N-O 3.11Å; S107-T117 PolarHBondContact O-N 3.46Å
108P97.2Very high96.7Very high107 Ų107104.9 Ų104.970%0.69555%0.547SS*.EExtended strand (participates in β ladder)trans-54.9153.9168.9-24.534.9000112.5T117P108-T117 WeakPolarHBondContact O-CB 3.28Å; P108-T117 PolarHBondContact O-OG1 3.41Å
109G97.1Very high96.7Very high28 Ų28102 Ų10229%0.28955%0.545SS..PPolyproline II helixtrans-61137.9173.600000112.6Q114 M115 T117G109-Q114 WeakPolarHBondContact CA-O 3.44Å; G109-M115 PolarHBondContact N-O 3.18Å; G109-T117 VanDerWaalsContact CA-OG1 3.31Å; G109-T117 WeakPolarHBondContact CA-OG1 3.27Å
110V96Very high96.7Very high127 Ų127100.6 Ų100.677%0.7755%0.552SS**SBendtrans-95-34.1178179.40000111.4T117V110-T117 HydrophobicContact CG2-CG2 4.19Å; V110-T117 PolarHBondContact N-OG1 3.36Å; V110-T117 VanDerWaalsContact N-OG1 3.13Å
111A96.5Very high96.6Very high60 Ų6098.5 Ų98.550%0.49654%0.544SS..SBendtrans-93.1153.4176.800000112.3G113 Q114A111-G113 PolarHBondContact O-N 3.25Å; A111-Q114 HydrophobicContact CB-CB 4.3Å; A111-Q114 VanDerWaalsContact N-OE1 3.12Å; A111-Q114 WeakPolarHBondContact O-CB 3.4Å; A111-Q114 PolarHBondContact O-N 3.36Å
112A96.5Very high96.6Very high113 Ų113101.5 Ų101.593%0.93457%0.57SS**THydrogen-bonded Turntrans-57.2130.9174.700000111.1Q114A112-Q114 PolarHBondContact O-N 3.43Å
113G96.6Very high96.4Very high84 Ų84106.2 Ų106.287%0.86658%0.582SS**THydrogen-bonded Turntrans79.4-3.3-176.100000115.1A111A111-G113 PolarHBondContact O-N 3.25Å
114Q97.4Very high96.3Very high77 Ų77107.4 Ų107.436%0.3659%0.587SS.*  trans-82.2124.9172.9-169.1178.50.500109.7G109 A111 A112 Y116 T117G109-Q114 WeakPolarHBondContact CA-O 3.44Å; A111-Q114 HydrophobicContact CB-CB 4.3Å; A111-Q114 VanDerWaalsContact N-OE1 3.12Å; A111-Q114 WeakPolarHBondContact O-CB 3.4Å; A111-Q114 PolarHBondContact O-N 3.36Å; A112-Q114 PolarHBondContact O-N 3.43Å; Q114-Y116 VanDerWaalsContact CG-O 3.27Å; Q114-Y116 WeakPolarHBondContact CG-O 3.44Å; Q114-Y116 PolarHBondContact NE2-O 3.43Å; Q114-T117 PolarHBondContact NE2-OG1 3.43Å
115M96.8Very high96.2Very high147 Ų147109.4 Ų109.472%0.72459%0.594SS**  trans-78.6-43176.5-61.9-58.9-68.700111.6G109G109-M115 PolarHBondContact N-O 3.18Å
116Y97.6Very high95.7Very high115 Ų115114 Ų11445%0.45161%0.613SS.*EExtended strand (participates in β ladder)trans-141150-175.4-56.1-58.7000112.1R106 S107 Q114R106-Y116 VanDerWaalsContact CD-CD1 3.43Å; R106-Y116 HydrophobicContact CG-CD1 3.5Å; R106-Y116 VanDerWaalsContact CG-CD1 3.5Å; R106-Y116 HydrophobicContact CG-CD2 4.25Å; R106-Y116 HydrophobicContact CG-CE1 4.16Å; R106-Y116 HydrophobicContact CG-CG 3.55Å; S107-Y116 CarbonylContact O-C 3.55Å; S107-Y116 VanDerWaalsContact O-CA 3.25Å; S107-Y116 WeakPolarHBondContact O-CA 3.48Å; Q114-Y116 VanDerWaalsContact CG-O 3.27Å; Q114-Y116 WeakPolarHBondContact CG-O 3.44Å; Q114-Y116 PolarHBondContact NE2-O 3.43Å
117T97.6Very high95.3Very high32 Ų32120 Ų12020%0.19664%0.636CS.*EExtended strand (participates in β ladder)trans-121.8144172.7-47.10000108.9S107 P108 G109 V110 Q114S107-T117 WeakPolarHBondContact CA-O 3.47Å; S107-T117 WeakPolarHBondContact CB-O 3.45Å; S107-T117 PolarHBondContact N-O 3.11Å; S107-T117 PolarHBondContact O-N 3.46Å; P108-T117 WeakPolarHBondContact O-CB 3.28Å; P108-T117 PolarHBondContact O-OG1 3.41Å; G109-T117 VanDerWaalsContact CA-OG1 3.31Å; G109-T117 WeakPolarHBondContact CA-OG1 3.27Å; V110-T117 HydrophobicContact CG2-CG2 4.19Å; V110-T117 PolarHBondContact N-OG1 3.36Å; V110-T117 VanDerWaalsContact N-OG1 3.13Å; Q114-T117 PolarHBondContact NE2-OG1 3.43Å
118Y97.3Very high94.5Very high84 Ų84128.6 Ų128.633%0.32966%0.659SS.*  trans-116.9151173.9-75-89.5000109.5M101 H105 R106 A120M101-Y118 HydrophobicContact CB-CD1 3.53Å; M101-Y118 HydrophobicContact CB-CE1 3.65Å; M101-Y118 HydrophobicContact CB-CG 4.41Å; M101-Y118 HydrophobicContact CE-CD1 4.18Å; M101-Y118 HydrophobicContact CG-CD1 3.98Å; M101-Y118 HydrophobicContact CG-CG 4.48Å; H105-Y118 HydrophobicContact CB-CD1 4Å; H105-Y118 HydrophobicContact CB-CE1 4.36Å; H105-Y118 WeakPolarHBondContact O-CD1 3.43Å; R106-Y118 HydrophobicContact CB-CE1 3.99Å; R106-Y118 PolarHBondContact NE-OH 3.43Å; R106-Y118 VanDerWaalsContact NE-OH 3.17Å; Y118-A120 PolarHBondContact O-N 3.01Å; Y118-A120 VanDerWaalsContact O-N 3.15Å
119P96.4Very high93Very high77 Ų77130.9 Ų130.950%0.567%0.665SS.*PPolyproline II helixtrans-49120.1174.6-29.131.6000112.1M101 H105M101-P119 HydrophobicContact CE-CB 4.05Å; M101-P119 HydrophobicContact CE-CG 4.08Å; H105-P119 HydrophobicContact CB-CG 4.39Å; H105-P119 WeakPolarHBondContact O-CD 3.48Å
120A93.9Very high91.3Very high96 Ų96138 Ų13879%0.79369%0.69SS**PPolyproline II helixtrans-85.6139.317700000110.2Y118Y118-A120 PolarHBondContact O-N 3.01Å; Y118-A120 VanDerWaalsContact O-N 3.15Å
121R93.6Very high89.5Confident170 Ų170138.4 Ų138.464%0.64269%0.688SS**PPolyproline II helixtrans-86.9125.2176.5-167.6168.7-179.6-120.73.8110.1Y98Y98-R121 VanDerWaalsContact CE2-CZ 3.47Å
122C95.4Very high87.7Confident129 Ų129142 Ų14287%0.87270%0.704SS**PPolyproline II helixtrans-65.2135.1173.7-62.60000110.5
123W93.7Very high85.7Confident216 Ų216141.3 Ų141.382%0.81869%0.689SS**  trans-141.9153.6177.261.5-83.7000109.9K125W123-K125 HydrophobicContact CZ3-CB 4.16Å
124R94.5Very high83.4Confident236 Ų236141.1 Ų141.189%0.89167%0.667SS**  trans-133.8123.8178.6-174.5167.664.1-172.21109.9K126R124-K126 PolarHBondContact O-N 3.47Å
125K93.6Very high81.4Confident174 Ų174143.2 Ų143.276%0.75769%0.688SS**PPolyproline II helixtrans-73.1122.6174.9-168.1175.1-178.8178.30109.6W123 R127W123-K125 HydrophobicContact CZ3-CB 4.16Å; K125-R127 PolarHBondContact O-N 3.27Å
126K88.1Confident79.4Confident162 Ų162147 Ų14770%0.70469%0.694SS**PPolyproline II helixtrans-69.8129.1172.1-168.1166.8-174.5165.90109.5R124 R128R124-K126 PolarHBondContact O-N 3.47Å; K126-R128 PolarHBondContact O-N 3.19Å
127R87.8Confident77.4Confident230 Ų230147.5 Ų147.587%0.86870%0.704SS**PPolyproline II helixtrans-63.4126.7169.4-78.9-170-66.6140.8-0.7108.3K125 L129K125-R127 PolarHBondContact O-N 3.27Å; R127-L129 PolarHBondContact O-N 3.43Å
128R80.4Confident75.2Confident236 Ų236148 Ų14889%0.89172%0.716SS**PPolyproline II helixtrans-67.7121.7171.2-61.5-173.6-169.3-83.32.1106.7K126 H130K126-R128 PolarHBondContact O-N 3.19Å; R128-H130 PolarHBondContact O-N 2.9Å
129L66.1Low73.1Confident156 Ų156151.7 Ų151.782%0.81774%0.74SS**PPolyproline II helixtrans-59.4135.7162.1-71.8163.9000106.2R127 N131R127-L129 PolarHBondContact O-N 3.43Å; L129-N131 PolarHBondContact O-N 2.8Å; L129-N131 VanDerWaalsContact O-N 3.1Å
130H62.1Low70.7Confident177 Ų177159.1 Ų159.182%0.81976%0.759SS**PPolyproline II helixtrans-56.3120.4171.4-154.275.3000106.1R128 T132R128-H130 PolarHBondContact O-N 2.9Å; H130-T132 PolarHBondContact O-N 2.66Å
131N58.3Low68.5Low136 Ų136157.7 Ų157.773%0.72775%0.754SS**  trans-57.9114.2170-72.1-7.8000104.6L129 T133L129-N131 PolarHBondContact O-N 2.8Å; L129-N131 VanDerWaalsContact O-N 3.1Å; N131-T133 PolarHBondContact O-N 3.07Å
132T58Low66.1Low135 Ų135157.5 Ų157.583%0.82877%0.765SS**  trans-62.392.2159.8500000104.1H130 D134H130-T132 PolarHBondContact O-N 2.66Å; T132-D134 PolarHBondContact O-N 2.94Å
133T53.8Low63.3Low99 Ų99160.7 Ų160.761%0.60777%0.767SS**  trans-50112172.8-52.10000105.7N131 P135N131-T133 PolarHBondContact O-N 3.07Å; T133-P135 WeakPolarHBondContact O-CD 3.31Å; T133-P135 VanDerWaalsContact O-N 3.1Å
134D48Very low60.9Low79 Ų79158.2 Ų158.242%0.42277%0.769SS.*  trans-54.9117.5168.3-179.7-8.9000105.9T132 R136 L137T132-D134 PolarHBondContact O-N 2.94Å; D134-R136 PolarHBondContact O-N 3.28Å; D134-R136 VanDerWaalsContact OD1-CB 3.31Å; D134-R136 WeakPolarHBondContact OD1-CB 3.31Å; D134-R136 WeakPolarHBondContact OD1-CG 3.45Å; D134-R136 PolarHBondContact OD1-N 3.41Å; D134-L137 HydrophobicContact CB-CB 4.5Å; D134-L137 HydrophobicContact CB-CD1 4.46Å; D134-L137 HydrophobicContact CB-CG 4.42Å; D134-L137 PolarHBondContact O-N 3.2Å
135P56.9Low58.4Low121 Ų121154.4 Ų154.479%0.78677%0.766SS**THydrogen-bonded Turntrans-55.7-16.1179.1-24.534.3000113T133T133-P135 WeakPolarHBondContact O-CD 3.31Å; T133-P135 VanDerWaalsContact O-N 3.1Å
136R54.8Low55.7Low227 Ų227149.4 Ų149.486%0.85776%0.764SS**THydrogen-bonded Turntrans-85.5-14.8178-51.4-175.2104.3-173.85.8113.7D134 G138D134-R136 PolarHBondContact O-N 3.28Å; D134-R136 VanDerWaalsContact OD1-CB 3.31Å; D134-R136 WeakPolarHBondContact OD1-CB 3.31Å; D134-R136 WeakPolarHBondContact OD1-CG 3.45Å; D134-R136 PolarHBondContact OD1-N 3.41Å; R136-G138 VanDerWaalsContact C-N 3.3Å
137L56.1Low53.4Low125 Ų125145 Ų14565%0.65477%0.765SS**SBendtrans-101.348.3169.1-64176.2000109.7D134 I139D134-L137 HydrophobicContact CB-CB 4.5Å; D134-L137 HydrophobicContact CB-CD1 4.46Å; D134-L137 HydrophobicContact CB-CG 4.42Å; D134-L137 PolarHBondContact O-N 3.2Å; L137-I139 PolarHBondContact O-N 3.47Å
138G50.1Low51.1Low44 Ų44141.9 Ų141.945%0.45476%0.764SS.*  trans-55.5103.3169.300000109.2R136 Y140R136-G138 VanDerWaalsContact C-N 3.3Å; G138-Y140 VanDerWaalsContact C-N 3.35Å; G138-Y140 WeakPolarHBondContact O-CD2 3.27Å; G138-Y140 PolarHBondContact O-N 2.71Å
139I52.9Low49Very low161 Ų161137.9 Ų137.983%0.82676%0.758SS**  trans-57.3106.2164.5-61.6-171.4000105.4L137 G141L137-I139 PolarHBondContact O-N 3.47Å; I139-G141 PolarHBondContact O-N 2.65Å; I139-G141 VanDerWaalsContact O-N 3.12Å
140Y46Very low47.9Very low233 Ų233136.4 Ų136.491%0.91476%0.76SS**SBendtrans-55.4118179-78.7-95.7000109.4G138G138-Y140 VanDerWaalsContact C-N 3.35Å; G138-Y140 WeakPolarHBondContact O-CD2 3.27Å; G138-Y140 PolarHBondContact O-N 2.71Å
141G47.9Very low46.8Very low66 Ų66138.1 Ų138.168%0.6876%0.759SS**  trans102.847.3144.400000118.6I139I139-G141 PolarHBondContact O-N 2.65Å; I139-G141 VanDerWaalsContact O-N 3.12Å
142L43.7Very low45.6Very low166 Ų166137.1 Ų137.187%0.86975%0.754SS**  trans-132.885.2149.3-69.3177.1000109.8L144L142-L144 PolarHBondContact O-N 3.08Å; L142-L144 VanDerWaalsContact O-N 3.11Å
143Q36.9Very low44.8Very low196 Ų196137 Ų13792%0.91675%0.754SS**  trans-71.194.3164.8-170.9160.123.600107.6
144L43.6Very low44Very low164 Ų164140.2 Ų140.286%0.85977%0.766SS**  trans-92.297.7162.2-101.6155.1000106.9L142L142-L144 PolarHBondContact O-N 3.08Å; L142-L144 VanDerWaalsContact O-N 3.11Å
145D40.8Very low44Very low156 Ų156141.7 Ų141.783%0.83478%0.78SS**  trans-56130.4164.7-175.827.6000109.7
146G36.9Very low43.2Very low69 Ų69142 Ų14271%0.71178%0.78SS**  trans166.269.6-172.600000112.3
147G41.1Very low42.6Very low70 Ų70139.4 Ų139.472%0.72278%0.777SS**  trans-62.6138.3177.400000113.5
148L39.3Very low42.2Very low163 Ų163136.8 Ų136.885%0.85378%0.78SS**  trans-153.5101.4153.2-166.261.4000110.8
149M36.3Very low42.6Very low153 Ų153139.1 Ų139.175%0.75479%0.786SS**  trans21.1110.3151.5-50.3-57.592.200118.6
150S42.8Very low42.7Very low124 Ų124137.2 Ų137.287%0.86778%0.782SS**  trans-58.7126.9152.3-158.80000109.7
151R39.6Very low42.8Very low214 Ų214131.2 Ų131.281%0.80877%0.765SS**  trans-140.1120.6157.1-96.1-158.3163.5-1481.8111.9
152D32.2Very low43.3Very low115 Ų115133.7 Ų133.762%0.61576%0.759SS**  trans74.192.9133.6-51-20.2000118.4
153T41.4Very low44Very low133 Ų133129 Ų12982%0.81675%0.745SS**  trans-40.7131.613833.70000112.6
154L36.1Very low45Very low165 Ų165126.2 Ų126.286%0.86474%0.735SS**  -173.9159.4128.6-92.6-179.4000110.5
155P47.8Very low45.6Very low110 Ų110124.8 Ų124.871%0.71473%0.727SS**  trans-97.1137.7-143.836.7-34.2000112.8
156T40Very low46.4Very low128 Ų128127.5 Ų127.579%0.78573%0.726SS**  trans-146.3102.9171.8-62.30000110.5
157Q43.7Very low47.3Very low172 Ų172127 Ų12780%0.80472%0.721SS**  trans47111.7147.3-52.9-164.520.200117.6T159Q157-T159 PolarHBondContact O-N 2.99Å
158G47.4Very low47.6Very low70 Ų70131.4 Ų131.472%0.72272%0.723SS**  trans-51.3101.8177.500000112.5
159T58.4Low48.2Very low94 Ų94126.3 Ų126.358%0.57771%0.71SS**  trans-84.8161.8166.955.10000109Q157 L161 E162Q157-T159 PolarHBondContact O-N 2.99Å; T159-L161 PolarHBondContact O-N 3.42Å; T159-E162 PolarHBondContact O-N 3.25Å
160T54.7Low49.1Very low120 Ų120124.6 Ų124.674%0.73670%0.703SS**THydrogen-bonded Turntrans-45.1-13177520000115.7A163 L164T160-A163 PolarHBondContact O-N 3.34Å; T160-L164 PolarHBondContact O-N 2.6Å
161L49.2Very low49.5Very low107 Ų107125.3 Ų125.356%0.5670%0.697SS**Hα-helixtrans-57.8-39.8168.2-162.7102.5000113.5T159 L164 L165T159-L161 PolarHBondContact O-N 3.42Å; L161-L164 PolarHBondContact O-N 3.31Å; L161-L165 HydrophobicContact CD2-CD1 4.01Å; L161-L165 HydrophobicContact CG-CD1 4.3Å; L161-L165 WeakPolarHBondContact O-CD1 3.31Å; L161-L165 VanDerWaalsContact O-CG 3.29Å; L161-L165 WeakPolarHBondContact O-CG 3.14Å; L161-L165 PolarHBondContact O-N 2.93Å; L161-L165 VanDerWaalsContact O-N 3.08Å
162E58.3Low50.1Low118 Ų118123.2 Ų123.255%0.55169%0.694SS**Hα-helixtrans-72.3-29.1-179.9-70.3-151.7174.100112.9T159 L165 R166T159-E162 PolarHBondContact O-N 3.25Å; E162-L165 PolarHBondContact O-N 3Å; E162-R166 PolarHBondContact O-N 3.31Å
163A57.1Low50.8Low69 Ų69125.3 Ų125.357%0.5769%0.693SS**Hα-helixtrans-69-38.2173.700000111.6T160 L165 R166T160-A163 PolarHBondContact O-N 3.34Å; A163-L165 VanDerWaalsContact C-N 3.35Å; A163-R166 PolarHBondContact O-N 2.76Å
164L58.3Low51.3Low137 Ų137124.2 Ų124.272%0.71768%0.682SS**Hα-helixtrans-69.2-32.7175.3-69.9165.4000112.5T160 L161 R166 G167T160-L164 PolarHBondContact O-N 2.6Å; L161-L164 PolarHBondContact O-N 3.31Å; L164-R166 VanDerWaalsContact C-N 3.29Å; L164-R166 PolarHBondContact O-N 2.8Å; L164-G167 PolarHBondContact O-N 2.83Å
165L55.4Low51.9Low133 Ų133121.3 Ų121.370%0.69667%0.668SS**Hα-helixtrans-71.5-20.2176.3-73.2164.6000113.2L161 E162 A163 G167L161-L165 HydrophobicContact CD2-CD1 4.01Å; L161-L165 HydrophobicContact CG-CD1 4.3Å; L161-L165 WeakPolarHBondContact O-CD1 3.31Å; L161-L165 VanDerWaalsContact O-CG 3.29Å; L161-L165 WeakPolarHBondContact O-CG 3.14Å; L161-L165 PolarHBondContact O-N 2.93Å; L161-L165 VanDerWaalsContact O-N 3.08Å; E162-L165 PolarHBondContact O-N 3Å; A163-L165 VanDerWaalsContact C-N 3.35Å; L165-G167 VanDerWaalsContact C-N 3.26Å; L165-G167 PolarHBondContact O-N 2.9Å
166R58Low52.1Low214 Ų214118.8 Ų118.881%0.80865%0.653SS**THydrogen-bonded Turntrans-79.61.8172.6-67.2-165.5-148.2163.46.4114.7E162 A163 L164E162-R166 PolarHBondContact O-N 3.31Å; A163-R166 PolarHBondContact O-N 2.76Å; L164-R166 VanDerWaalsContact C-N 3.29Å; L164-R166 PolarHBondContact O-N 2.8Å
167G56.1Low53Low59 Ų59117.2 Ų117.261%0.60864%0.635SS**  trans8051.7162.100000115.8L164 L165 G169L164-G167 PolarHBondContact O-N 2.83Å; L165-G167 VanDerWaalsContact C-N 3.26Å; L165-G167 PolarHBondContact O-N 2.9Å; G167-G169 VanDerWaalsContact C-N 3.27Å; G167-G169 PolarHBondContact O-N 3.07Å
168E47.3Very low53.9Low162 Ų162113.6 Ų113.676%0.75762%0.621SS**  trans-74.285161.1-164.1167.2-170.500109.5L170E168-L170 HydrophobicContact CG-CD1 4.22Å; E168-L170 HydrophobicContact CG-CG 4.26Å; E168-L170 PolarHBondContact O-N 3.2Å
169G53.3Low54.8Low56 Ų56114.1 Ų114.158%0.57761%0.607SS**  trans-85.193-179.600000112.3G167G167-G169 VanDerWaalsContact C-N 3.27Å; G167-G169 PolarHBondContact O-N 3.07Å
170L54.9Low55.3Low116 Ų116115.3 Ų115.361%0.60761%0.606SS**  trans-100.1-21.7178.5-69.7173.3000114.6E168E168-L170 HydrophobicContact CG-CD1 4.22Å; E168-L170 HydrophobicContact CG-CG 4.26Å; E168-L170 PolarHBondContact O-N 3.2Å
171D49.8Very low56Low140 Ų140115.5 Ų115.575%0.74960%0.599SS**SBendtrans-102.3-23.1-172.7-61.6-65.4000115.4
172K53.4Low57.1Low170 Ų170112.7 Ų112.774%0.73959%0.588SS**Hα-helixtrans-84.7-19.2-176.1-148.9172.2-179-173.50112.5S176K172-S176 PolarHBondContact O-OG 3.22Å
173R47Very low57.9Low159 Ų159111.5 Ų111.560%0.659%0.585SS**Hα-helixtrans-81.9-29.3-178.1-157.2178.4-177.8-167.2-1.5112.3S176 K177R173-S176 PolarHBondContact O-OG 2.71Å; R173-K177 HydrophobicContact CG-CD 3.86Å; R173-K177 VanDerWaalsContact CG-CE 3.46Å; R173-K177 HydrophobicContact CG-CG 4.23Å; R173-K177 WeakPolarHBondContact O-CB 3.37Å; R173-K177 VanDerWaalsContact O-CD 3.29Å; R173-K177 WeakPolarHBondContact O-CD 3.46Å; R173-K177 WeakPolarHBondContact O-CG 3.14Å; R173-K177 PolarHBondContact O-N 3.01Å
174N51.4Low59Low109 Ų109113 Ų11358%0.58358%0.583SS**Hα-helixtrans-75-39.8-177.7-79.7-1.4000113.3N178N174-N178 VanDerWaalsContact O-CB 3.3Å; N174-N178 WeakPolarHBondContact O-CB 3.27Å; N174-N178 PolarHBondContact O-N 3.42Å; N174-N178 VanDerWaalsContact O-N 3.1Å
175N47.6Very low59.8Low105 Ų105110.4 Ų110.456%0.56157%0.567SS**Hα-helixtrans-71.4-44.7178-14889.6000111.3K177 N178 D179N175-K177 PolarHBondContact O-N 3.19Å; N175-N178 PolarHBondContact O-N 3.38Å; N175-D179 PolarHBondContact ND2-OD2 3Å; N175-D179 WeakPolarHBondContact O-CB 3.35Å; N175-D179 PolarHBondContact O-N 3.21Å
176S53.5Low60.8Low57 Ų57104.8 Ų104.840%0.39954%0.538SS..Hα-helixtrans-65.4-39.5177.868.50000112.1K172 R173 N178 D179 E180K172-S176 PolarHBondContact O-OG 3.22Å; R173-S176 PolarHBondContact O-OG 2.71Å; S176-N178 VanDerWaalsContact C-N 3.34Å; S176-N178 PolarHBondContact O-N 2.88Å; S176-D179 PolarHBondContact O-N 3.42Å; S176-E180 WeakPolarHBondContact O-CB 3.49Å; S176-E180 WeakPolarHBondContact O-CG 3.43Å; S176-E180 PolarHBondContact O-N 3.45Å
177K59.3Low61.7Low94 Ų9499.3 Ų99.341%0.40952%0.522SS..Hα-helixtrans-63.5-40.2175.6-79.3171.8169.91730112.4R173 N175 E180 E181R173-K177 HydrophobicContact CG-CD 3.86Å; R173-K177 VanDerWaalsContact CG-CE 3.46Å; R173-K177 HydrophobicContact CG-CG 4.23Å; R173-K177 WeakPolarHBondContact O-CB 3.37Å; R173-K177 VanDerWaalsContact O-CD 3.29Å; R173-K177 WeakPolarHBondContact O-CD 3.46Å; R173-K177 WeakPolarHBondContact O-CG 3.14Å; R173-K177 PolarHBondContact O-N 3.01Å; N175-K177 PolarHBondContact O-N 3.19Å; K177-E180 PolarHBondContact O-N 2.89Å; K177-E181 VanDerWaalsContact O-CB 3.24Å; K177-E181 WeakPolarHBondContact O-CB 3.4Å; K177-E181 PolarHBondContact O-N 3.32Å
178N62.2Low62.9Low97 Ų97103.6 Ų103.652%0.51952%0.519SS..Hα-helixtrans-68.5-40.6177.7-170.810.3000111.3N174 N175 S176 E181 S182N174-N178 VanDerWaalsContact O-CB 3.3Å; N174-N178 WeakPolarHBondContact O-CB 3.27Å; N174-N178 PolarHBondContact O-N 3.42Å; N174-N178 VanDerWaalsContact O-N 3.1Å; N175-N178 PolarHBondContact O-N 3.38Å; S176-N178 VanDerWaalsContact C-N 3.34Å; S176-N178 PolarHBondContact O-N 2.88Å; N178-E181 PolarHBondContact O-N 2.86Å; N178-S182 WeakPolarHBondContact O-CB 3.34Å; N178-S182 PolarHBondContact O-N 3.3Å
179D65.3Low64.3Low81 Ų8197.1 Ų97.143%0.43349%0.491SS..Hα-helixtrans-63.9-42175.6-61.4-31000110.7N175 S176 S182 L183N175-D179 PolarHBondContact ND2-OD2 3Å; N175-D179 WeakPolarHBondContact O-CB 3.35Å; N175-D179 PolarHBondContact O-N 3.21Å; S176-D179 PolarHBondContact O-N 3.42Å; D179-S182 PolarHBondContact O-N 2.97Å; D179-L183 WeakPolarHBondContact O-CB 3.48Å; D179-L183 VanDerWaalsContact O-CG 3.25Å; D179-L183 WeakPolarHBondContact O-CG 3.15Å; D179-L183 PolarHBondContact O-N 2.98Å
180E69.3Low65.3Low118 Ų11898.6 Ų98.655%0.55149%0.485SS*.Hα-helixtrans-68.5-40.7175.6-64.6-70.7140.300112.3S176 K177 L183 L184S176-E180 WeakPolarHBondContact O-CB 3.49Å; S176-E180 WeakPolarHBondContact O-CG 3.43Å; S176-E180 PolarHBondContact O-N 3.45Å; K177-E180 PolarHBondContact O-N 2.89Å; E180-L183 PolarHBondContact O-N 2.89Å; E180-L184 VanDerWaalsContact O-CG 3.24Å; E180-L184 WeakPolarHBondContact O-CG 3.47Å; E180-L184 PolarHBondContact O-N 3.41Å
181E68.6Low66.2Low124 Ų12498.2 Ų98.258%0.57948%0.48SS*.Hα-helixtrans-65.6-40.2174.7-177173.6-169.700111.6K177 N178 L183 L184 E185K177-E181 VanDerWaalsContact O-CB 3.24Å; K177-E181 WeakPolarHBondContact O-CB 3.4Å; K177-E181 PolarHBondContact O-N 3.32Å; N178-E181 PolarHBondContact O-N 2.86Å; E181-L183 VanDerWaalsContact C-N 3.31Å; E181-L183 PolarHBondContact O-N 3.16Å; E181-L184 PolarHBondContact O-N 3.5Å; E181-E185 WeakPolarHBondContact O-CB 3.18Å; E181-E185 PolarHBondContact O-N 3.04Å
182S74.1Confident67.2Low49 Ų4994.7 Ų94.734%0.34347%0.47SS..Hα-helixtrans-62.4-39172.3-175.50000111.2N178 D179 E185 I186N178-S182 WeakPolarHBondContact O-CB 3.34Å; N178-S182 PolarHBondContact O-N 3.3Å; D179-S182 PolarHBondContact O-N 2.97Å; S182-E185 PolarHBondContact O-N 3.48Å; S182-I186 WeakPolarHBondContact O-CB 3.4Å; S182-I186 WeakPolarHBondContact O-CD1 3.17Å; S182-I186 WeakPolarHBondContact O-CG1 3.35Å; S182-I186 PolarHBondContact O-N 2.99Å
183L73.6Confident67.7Low93 Ų9389.7 Ų89.749%0.48745%0.451SS..Hα-helixtrans-68.1-41.3175.6-75.8170.9000112.4D179 E180 E181 E185 I186 Q187D179-L183 WeakPolarHBondContact O-CB 3.48Å; D179-L183 VanDerWaalsContact O-CG 3.25Å; D179-L183 WeakPolarHBondContact O-CG 3.15Å; D179-L183 PolarHBondContact O-N 2.98Å; E180-L183 PolarHBondContact O-N 2.89Å; E181-L183 VanDerWaalsContact C-N 3.31Å; E181-L183 PolarHBondContact O-N 3.16Å; L183-E185 VanDerWaalsContact C-N 3.32Å; L183-I186 HydrophobicContact CD2-CD1 4.31Å; L183-I186 PolarHBondContact O-N 3.37Å; L183-Q187 WeakPolarHBondContact O-CB 3.34Å; L183-Q187 PolarHBondContact O-N 3.48Å
184L80.1Confident68.5Low100 Ų10085.4 Ų85.452%0.52445%0.45SS..Hα-helixtrans-65.6-36.5174.8-68.5170000111.5E180 E181 Q187 R188E180-L184 VanDerWaalsContact O-CG 3.24Å; E180-L184 WeakPolarHBondContact O-CG 3.47Å; E180-L184 PolarHBondContact O-N 3.41Å; E181-L184 PolarHBondContact O-N 3.5Å; L184-Q187 PolarHBondContact O-N 3.22Å; L184-R188 WeakPolarHBondContact O-CG 3.32Å; L184-R188 PolarHBondContact O-N 3.33Å
185E75.9Confident68.9Low82 Ų8282.4 Ų82.438%0.38344%0.441SS..Hα-helixtrans-66.9-43.9174.3-177.861.3-17200111.9E181 S182 L183 Q187 R188 V189E181-E185 WeakPolarHBondContact O-CB 3.18Å; E181-E185 PolarHBondContact O-N 3.04Å; S182-E185 PolarHBondContact O-N 3.48Å; L183-E185 VanDerWaalsContact C-N 3.32Å; E185-Q187 VanDerWaalsContact C-N 3.29Å; E185-Q187 PolarHBondContact O-N 2.88Å; E185-R188 PolarHBondContact O-N 3.11Å; E185-R188 IonicContact OE2-CZ 3.74Å; E185-R188 VanDerWaalsContact OE2-CZ 3.27Å; E185-R188 IonicContact OE2-NE 2.66Å; E185-R188 PolarHBondContact OE2-NE 2.9Å; E185-R188 VanDerWaalsContact OE2-NE 3.07Å; E185-R188 IonicContact OE2-NH2 3.27Å; E185-R188 PolarHBondContact OE2-NH2 3.31Å; E185-V189 WeakPolarHBondContact O-CB 3.25Å; E185-V189 VanDerWaalsContact O-CG2 3.26Å; E185-V189 WeakPolarHBondContact O-CG2 3.14Å; E185-V189 PolarHBondContact O-N 3.22Å
186I76.8Confident69.3Low15 Ų1584.2 Ų84.28%0.07745%0.446CS..Hα-helixtrans-57.4-45.7172.2-69156.3000110.4A77 S80 V81 S182 L183 V189 L190A77-I186 HydrophobicContact CB-CB 4.3Å; A77-I186 HydrophobicContact CB-CG1 3.84Å; A77-I186 HydrophobicContact CB-CG2 4.36Å; S80-I186 WeakPolarHBondContact OG-CD1 3.37Å; V81-I186 HydrophobicContact CG2-CD1 3.94Å; V81-I186 HydrophobicContact CG2-CG1 4.34Å; V81-I186 HydrophobicContact CG2-CG2 3.45Å; V81-I186 VanDerWaalsContact CG2-CG2 3.45Å; S182-I186 WeakPolarHBondContact O-CB 3.4Å; S182-I186 WeakPolarHBondContact O-CD1 3.17Å; S182-I186 WeakPolarHBondContact O-CG1 3.35Å; S182-I186 PolarHBondContact O-N 2.99Å; L183-I186 HydrophobicContact CD2-CD1 4.31Å; L183-I186 PolarHBondContact O-N 3.37Å; I186-V189 PolarHBondContact O-N 2.86Å; I186-L190 HydrophobicContact CG2-CD1 3.95Å; I186-L190 VanDerWaalsContact O-CG 3.29Å; I186-L190 WeakPolarHBondContact O-CG 3.42Å; I186-L190 PolarHBondContact O-N 3.28Å
187Q75.9Confident69.3Low100 Ų10087.9 Ų87.947%0.46746%0.461SS..Hα-helixtrans-62.6-45.4178.4-178.1173.2-9.100111.4L183 L184 E185 V189 L190 E191L183-Q187 WeakPolarHBondContact O-CB 3.34Å; L183-Q187 PolarHBondContact O-N 3.48Å; L184-Q187 PolarHBondContact O-N 3.22Å; E185-Q187 VanDerWaalsContact C-N 3.29Å; E185-Q187 PolarHBondContact O-N 2.88Å; Q187-V189 VanDerWaalsContact C-N 3.35Å; Q187-V189 PolarHBondContact O-N 3.4Å; Q187-L190 PolarHBondContact O-N 2.94Å; Q187-E191 HydrophobicContact CG-CG 4.24Å; Q187-E191 VanDerWaalsContact CG-OE1 3.23Å; Q187-E191 WeakPolarHBondContact CG-OE1 3.36Å; Q187-E191 PolarHBondContact NE2-OE1 2.89Å; Q187-E191 WeakPolarHBondContact O-CB 3.37Å; Q187-E191 VanDerWaalsContact O-CG 3.28Å; Q187-E191 WeakPolarHBondContact O-CG 2.83Å; Q187-E191 PolarHBondContact O-N 3.12Å
188R82Confident69.2Low149 Ų14986.7 Ų86.756%0.56247%0.469SS*.Hα-helixtrans-59.3-43.9175.8-77.2-164.6-65.3-139.12.1112.7L184 E185 L190 E191 A192L184-R188 WeakPolarHBondContact O-CG 3.32Å; L184-R188 PolarHBondContact O-N 3.33Å; E185-R188 PolarHBondContact O-N 3.11Å; E185-R188 IonicContact OE2-CZ 3.74Å; E185-R188 VanDerWaalsContact OE2-CZ 3.27Å; E185-R188 IonicContact OE2-NE 2.66Å; E185-R188 PolarHBondContact OE2-NE 2.9Å; E185-R188 VanDerWaalsContact OE2-NE 3.07Å; E185-R188 IonicContact OE2-NH2 3.27Å; E185-R188 PolarHBondContact OE2-NH2 3.31Å; R188-L190 VanDerWaalsContact C-N 3.32Å; R188-L190 PolarHBondContact O-N 2.91Å; R188-E191 PolarHBondContact O-N 2.99Å; R188-A192 WeakPolarHBondContact O-CB 3.49Å; R188-A192 PolarHBondContact O-N 2.84Å
189V76.3Confident68.5Low26 Ų2690.3 Ų90.316%0.15848%0.48CS..Hα-helixtrans-65.2-37.9-180171.50000111.2R74 A77 E185 I186 Q187R74-V189 HydrophobicContact CB-CG1 3.99Å; R74-V189 HydrophobicContact CG-CG1 4.15Å; A77-V189 HydrophobicContact CB-CB 4.48Å; A77-V189 HydrophobicContact CB-CG1 4.32Å; E185-V189 WeakPolarHBondContact O-CB 3.25Å; E185-V189 VanDerWaalsContact O-CG2 3.26Å; E185-V189 WeakPolarHBondContact O-CG2 3.14Å; E185-V189 PolarHBondContact O-N 3.22Å; I186-V189 PolarHBondContact O-N 2.86Å; Q187-V189 VanDerWaalsContact C-N 3.35Å; Q187-V189 PolarHBondContact O-N 3.4Å
190L74.4Confident67.8Low87 Ų8793 Ų9346%0.45550%0.495SS..Hα-helixtrans-74.8-35.8176.3-66.8173.2000112.8I186 Q187 R188 D193 A194I186-L190 HydrophobicContact CG2-CD1 3.95Å; I186-L190 VanDerWaalsContact O-CG 3.29Å; I186-L190 WeakPolarHBondContact O-CG 3.42Å; I186-L190 PolarHBondContact O-N 3.28Å; Q187-L190 PolarHBondContact O-N 2.94Å; R188-L190 VanDerWaalsContact C-N 3.32Å; R188-L190 PolarHBondContact O-N 2.91Å; L190-D193 PolarHBondContact O-N 3.15Å; L190-A194 PolarHBondContact O-N 3.39Å
191E73.9Confident66.9Low108 Ų10894.5 Ų94.551%0.50551%0.506SS..Hα-helixtrans-69.6-34.5177.5-76.3174.8179.300112.6Q187 R188 D193 A194 A195Q187-E191 HydrophobicContact CG-CG 4.24Å; Q187-E191 VanDerWaalsContact CG-OE1 3.23Å; Q187-E191 WeakPolarHBondContact CG-OE1 3.36Å; Q187-E191 PolarHBondContact NE2-OE1 2.89Å; Q187-E191 WeakPolarHBondContact O-CB 3.37Å; Q187-E191 VanDerWaalsContact O-CG 3.28Å; Q187-E191 WeakPolarHBondContact O-CG 2.83Å; Q187-E191 PolarHBondContact O-N 3.12Å; R188-E191 PolarHBondContact O-N 2.99Å; E191-D193 VanDerWaalsContact C-N 3.29Å; E191-D193 PolarHBondContact O-N 3.12Å; E191-A194 PolarHBondContact O-N 2.92Å; E191-A195 PolarHBondContact O-N 2.89Å; E191-A195 VanDerWaalsContact O-N 3.11Å
192A71.5Confident66Low65 Ų6595.9 Ų95.954%0.53752%0.518SS..Hα-helixtrans-62.9-34.9174.800000112.7R188 A195 E196R188-A192 WeakPolarHBondContact O-CB 3.49Å; R188-A192 PolarHBondContact O-N 2.84Å; A192-A195 PolarHBondContact O-N 3.2Å; A192-E196 PolarHBondContact O-N 2.89Å
193D63.7Low64.5Low65 Ų65101.6 Ų101.635%0.34854%0.544SS..Hα-helixtrans-69.5-41.1177.4-139.352.8000111.2R74 L190 E191 A195 E196 D197R74-D193 IonicContact CZ-OD1 2.8Å; R74-D193 IonicContact NE-OD1 3.27Å; R74-D193 PolarHBondContact NE-OD1 3.34Å; R74-D193 IonicContact NE-OD2 2.83Å; R74-D193 IonicContact NH2-OD1 3.68Å; R74-D193 PolarHBondContact NH2-OD1 3.41Å; L190-D193 PolarHBondContact O-N 3.15Å; E191-D193 VanDerWaalsContact C-N 3.29Å; E191-D193 PolarHBondContact O-N 3.12Å; D193-A195 VanDerWaalsContact C-N 3.28Å; D193-A195 PolarHBondContact O-N 2.93Å; D193-E196 PolarHBondContact O-N 3.17Å; D193-D197 PolarHBondContact O-N 2.93Å
194A64.1Low63.5Low69 Ų69103.6 Ų103.657%0.5756%0.555SS**Hα-helixtrans-69.6-26.2177.300000113.2L190 E191L190-A194 PolarHBondContact O-N 3.39Å; E191-A194 PolarHBondContact O-N 2.92Å
195A58.3Low61.8Low47 Ų47108.7 Ų108.739%0.38857%0.569SS.*Hα-helixtrans-78.3-34.1176.800000112.4E191 A192 D193 A198 F199E191-A195 PolarHBondContact O-N 2.89Å; E191-A195 VanDerWaalsContact O-N 3.11Å; A192-A195 PolarHBondContact O-N 3.2Å; D193-A195 VanDerWaalsContact C-N 3.28Å; D193-A195 PolarHBondContact O-N 2.93Å; A195-A198 PolarHBondContact O-N 3.33Å; A195-F199 WeakPolarHBondContact O-CD2 3.3Å; A195-F199 WeakPolarHBondContact O-CE2 3.35Å
196E57.3Low60.5Low143 Ų143114.5 Ų114.567%0.66860%0.596SS**Hα-helixtrans-65.4-39.2176.8-165.5-140.717900111.9A192 D193 A198 F199A192-E196 PolarHBondContact O-N 2.89Å; D193-E196 PolarHBondContact O-N 3.17Å; E196-A198 PolarHBondContact O-N 3.45Å; E196-F199 PolarHBondContact O-N 2.98Å
197D53.5Low58.9Low133 Ų133119.3 Ų119.371%0.71163%0.626SS**THydrogen-bonded Turntrans-68-16.7-178.6-140.619.8000113.2D193D193-D197 PolarHBondContact O-N 2.93Å
198A55.4Low57.4Low70 Ų70121.5 Ų121.558%0.57964%0.641SS**THydrogen-bonded Turntrans-86.3-10.8179.200000114.3A195 E196A195-A198 PolarHBondContact O-N 3.33Å; E196-A198 PolarHBondContact O-N 3.45Å
199F48.5Very low55.3Low172 Ų172120.7 Ų120.775%0.75465%0.653SS**SBendtrans-103.42.2-178.5-67.2-73.1000114A195 E196A195-F199 WeakPolarHBondContact O-CD2 3.3Å; A195-F199 WeakPolarHBondContact O-CE2 3.35Å; E196-F199 PolarHBondContact O-N 2.98Å
200N51.6Low53.9Low139 Ų139125 Ų12574%0.74368%0.682SS**SBendtrans-105.57.1-177-167.353.6000114.2
201D49.8Very low52.6Low149 Ų149130.7 Ų130.780%0.79770%0.703SS**SBendtrans-114.84.7-177.3-159.637.9000114
202D48.9Very low51.2Low153 Ų153137.7 Ų137.782%0.81872%0.724SS**  trans-107.212.3-171.8-139.521.9000114.7D204D202-D204 PolarHBondContact O-N 3.38Å
203D43.9Very low49.7Very low168 Ų168146 Ų14690%0.89874%0.742SS**  trans-95.540174.9-82.7-42.4000112.9
204D50.6Low48.7Very low135 Ų135151.6 Ų151.672%0.72277%0.765SS**SBendtrans-117.997.4171.6-164.325.5000112.5D202D202-D204 PolarHBondContact O-N 3.38Å
205Y44.9Very low47.7Very low207 Ų207160.2 Ų160.281%0.81278%0.783SS**  trans42.9100.2157.3-85.7-92000120V207Y205-V207 HydrophobicContact CD1-CG2 4.27Å
206E48.1Very low47Very low204 Ų204160.5 Ų160.595%0.95379%0.79SS**  trans-116.6104.5151.5-149.1-178.3-158.700111.3
207V43.2Very low46.5Very low117 Ų117164 Ų16471%0.70980%0.804SS**  trans-75.9126.1173.8164.30000110.2Y205Y205-V207 HydrophobicContact CD1-CG2 4.27Å
208D45.2Very low45.8Very low146 Ų146161 Ų16178%0.78180%0.804SS**  trans-33.8118.7176.3-156.62.1000116.4
209T37.7Very low45.3Very low131 Ų131170.1 Ų170.180%0.80482%0.823SS**  trans-138.9134.6153.3490000111.9
210P47.8Very low44.7Very low117 Ų117165.8 Ų165.876%0.7683%0.828SS**  trans-94.3134.9-160.534.7-34.3000115.9
211K47Very low44.4Very low207 Ų207171.2 Ų171.290%0.984%0.838SS**  trans23.1120.7147.1-69-179.6178.5169.40119.9
212R44.7Very low43.7Very low254 Ų254167.7 Ų167.796%0.95884%0.836SS**  trans-126.1124.7151.1-136.8179.184.6150.72112.4
213R38.5Very low43.4Very low240 Ų240166.9 Ų166.991%0.90684%0.843SS**  trans-77.3135.6-173.4-76.3178.2161.8-137.7-1.4114.7
214H43.7Very low42.9Very low182 Ų182162 Ų16284%0.84383%0.833SS**  trans44.1123.7131.8-139.6-90.9000122.5
215R43.6Very low42.9Very low251 Ų251167.4 Ų167.495%0.94784%0.843SS**  trans-154.5120.5140.9-141.8177.4-171.5-172.82.8110.8
216G44Very low42.8Very low52 Ų52168.8 Ų168.854%0.53685%0.847SS.*  trans-99155.2-18000000115
217K45.8Very low42.4Very low218 Ų218170.7 Ų170.795%0.94885%0.845SS**  trans175.8133.1159-125.380.4169.2-178.60104.8
218G39.4Very low42.4Very low70 Ų70170.1 Ų170.172%0.72284%0.842SS**  cis137.7108.51800000108.3
219R45.1Very low42.5Very low260 Ų260170.2 Ų170.298%0.98184%0.843SS**  trans39.5130.7155.6-58.7-175.7175.7-152.1-2.6121.7
220G36.4Very low43Very low82 Ų82170.7 Ų170.785%0.84584%0.839SS**  trans173.9102.7157.300000117.8
221R44.2Very low43.1Very low253 Ų253171.9 Ų171.996%0.95584%0.839SS**  trans-27.1130.2169.7-61.4172.6176.5-155.8-2.8119.8
222G35.8Very low43.4Very low74 Ų74169.8 Ų169.876%0.76384%0.838SS**  63.9119.4108.900000122.6
223S41.6Very low44.1Very low136 Ų136164.8 Ų164.895%0.95183%0.83SS**  trans77.6132.7134.5-160.50000120.6
224G34.7Very low45.1Very low67 Ų67162.4 Ų162.469%0.69183%0.826SS**  trans147.983.1147.700000117.4
225R49.8Very low46.2Very low247 Ų247156.6 Ų156.693%0.93281%0.805SS**  trans-8.6119.4154.7-64.8173.5177.9-166-1.7116.8
226R42.7Very low47.6Very low237 Ų237149.4 Ų149.489%0.89478%0.778SS**  trans-132.396.5143-70.1-163.8-179.5-168.91.2108.9
227R39.4Very low49.1Very low243 Ų243149.5 Ų149.592%0.91777%0.769SS**  trans-97.791.5158.3-83.6-93.4178.3163.3-1.8105
228T43Very low50.6Low105 Ų105139.2 Ų139.264%0.64472%0.724SS**  trans-68.1139.4162.8-46.20000107.4L230T228-L230 PolarHBondContact O-N 3.41Å
229D48.5Very low52.1Low149 Ų149141 Ų14180%0.79772%0.717SS**  trans-41119172.7-53.7-72.6000111.4
230L47.6Very low53Low140 Ų140131 Ų13173%0.73368%0.683SS**  trans-115.390.2169.4-70.3179.1000107.4T228 D232T228-L230 PolarHBondContact O-N 3.41Å; L230-D232 PolarHBondContact O-N 3.28Å
231D49.9Very low54Low143 Ų143136 Ų13677%0.76568%0.676SS**  trans-3.490.8143-147.1-36.7000114D233D231-D233 PolarHBondContact O-N 3.4Å
232D54.4Low54.1Low163 Ų163134.3 Ų134.387%0.87267%0.672SS**  trans-85.519.4-178.3-99.2-49000112.6L230L230-D232 PolarHBondContact O-N 3.28Å
233D57.6Low54.8Low149 Ų149139.2 Ų139.280%0.79767%0.672SS**  trans-10517.5-178.7-94.7-42.4000114.4D231 P235D231-D233 PolarHBondContact O-N 3.4Å; D233-P235 WeakPolarHBondContact O-CD 3.21Å
234K59.8Low55.2Low189 Ų189139.2 Ų139.282%0.82266%0.657SS**SBendtrans-95.9108.6167.9-155.5160.8-171.8173.50110.6Y236K234-Y236 PolarHBondContact O-N 3.13Å
235P67.3Low55.7Low61 Ų61145.5 Ų145.540%0.39667%0.665SS.*  trans-60.1137.7-176.421.8-31.6000111.1D233 V237 R258D233-P235 WeakPolarHBondContact O-CD 3.21Å; P235-V237 VanDerWaalsContact O-CG2 3.25Å; P235-V237 WeakPolarHBondContact O-CG2 3.29Å; P235-V237 PolarHBondContact O-N 2.97Å; P235-R258 HydrophobicContact CB-CB 4.36Å
236Y73.8Confident55.4Low99 Ų99142.4 Ų142.439%0.38866%0.661SS.*EExtended strand (participates in β ladder)trans-81.5109.8-176.4-159.6-128.2000108.9K234 Y259 R262 L265K234-Y236 PolarHBondContact O-N 3.13Å; Y236-Y259 PolarHBondContact N-O 3.14Å; Y236-Y259 PolarHBondContact O-N 3.38Å; Y236-R262 HydrophobicContact CD1-CB 4.3Å; Y236-R262 HydrophobicContact CD1-CG 4.28Å; Y236-R262 HydrophobicContact CE1-CB 4.11Å; Y236-R262 HydrophobicContact CE1-CG 3.6Å; Y236-R262 HydrophobicContact CE2-CG 4.46Å; Y236-L265 HydrophobicContact CD1-CB 3.09Å; Y236-L265 HydrophobicContact CD1-CD2 3.17Å; Y236-L265 HydrophobicContact CD1-CG 3.66Å; Y236-L265 HydrophobicContact CD2-CD2 4.25Å; Y236-L265 HydrophobicContact CE1-CB 3.33Å; Y236-L265 HydrophobicContact CE1-CD2 3.08Å; Y236-L265 HydrophobicContact CE1-CG 3.62Å; Y236-L265 HydrophobicContact CE2-CD2 4.18Å; Y236-L265 HydrophobicContact CG-CB 4.21Å; Y236-L265 HydrophobicContact CG-CD2 3.74Å
237V75.6Confident55.2Low54 Ų54137.6 Ų137.633%0.32765%0.653SS.*EExtended strand (participates in β ladder)trans-108.2138.4-168.8-1690000110.9P235 D239 R258 L265P235-V237 VanDerWaalsContact O-CG2 3.25Å; P235-V237 WeakPolarHBondContact O-CG2 3.29Å; P235-V237 PolarHBondContact O-N 2.97Å; V237-D239 PolarHBondContact O-N 2.86Å; V237-R258 HydrophobicContact CB-CG 4.47Å; V237-R258 HydrophobicContact CG1-CG 4.14Å; V237-R258 HydrophobicContact CG2-CB 4.42Å; V237-R258 HydrophobicContact CG2-CG 3.8Å; V237-L265 WeakPolarHBondContact O-CD2 3.03Å
238C76.6Confident55.4Low2 Ų2129.9 Ų129.91%0.01464%0.637CS.*  trans-73118.7167-167.10000108.9C255 K257 L265 H273C238-C255 HydrophobicContact CB-CB 4.42Å; C238-K257 PolarHBondContact N-O 2.89Å; C238-L265 HydrophobicContact CB-CD1 3.53Å; C238-H273 PolarHBondContact SG-NE2 2.86Å
239D69.9Low56Low109 Ų109135 Ų13558%0.58365%0.65SS**  trans-128.680.2177.7-144.7-7000108.6V237 R241V237-D239 PolarHBondContact O-N 2.86Å; D239-R241 PolarHBondContact O-N 2.86Å; D239-R241 IonicContact OD1-NE 3.81Å
240N65.4Low55.6Low48 Ų48132.5 Ų132.526%0.25764%0.64SS.*THydrogen-bonded Turntrans-82.941.2-167.6-145.7-10.3000113.5Y269 H273N240-Y269 PolarHBondContact OD1-OH 3.45Å; N240-H273 PolarHBondContact ND2-CD2 2.82Å; N240-H273 VanDerWaalsContact ND2-CD2 3.29Å; N240-H273 PolarHBondContact ND2-CE1 3.06Å; N240-H273 VanDerWaalsContact ND2-CE1 3.33Å; N240-H273 PolarHBondContact ND2-ND1 3.37Å; N240-H273 PolarHBondContact ND2-NE2 3.26Å
241R55.7Low55.8Low188 Ų188135 Ų13571%0.70965%0.654SS**THydrogen-bonded Turntrans-87.8-9.9179.1-65.1-169-153.3-1552.1114.5D239D239-R241 PolarHBondContact O-N 2.86Å; D239-R241 IonicContact OD1-NE 3.81Å
242Y48Very low55.8Low218 Ų218132.9 Ų132.986%0.85565%0.645SS**SBendtrans-83.1-18.2-165.6-167.2-105.2000115
243K50.4Low55.9Low177 Ų177130.2 Ų130.277%0.7764%0.64SS**SBendtrans-100.7-9.1179.8-68.4-153.5177.3-171.40115.6K245K243-K245 PolarHBondContact O-N 3.45Å
244Q49Very low56.1Low136 Ų136126.9 Ų126.964%0.63662%0.624SS**  trans-87.256179.1-156.6176.529.900112.1
245K45Very low56.6Low198 Ų198118.8 Ų118.886%0.86159%0.592SS**  trans-10880.6162.4-99.1-172176.8-177.90108.3K243K243-K245 PolarHBondContact O-N 3.45Å
246Q43.6Very low56.7Low183 Ų183121.1 Ų121.186%0.85561%0.605SS**SBendtrans158.2120.4142.3-78.1-99.711.100107.4
247N39Very low56.8Low136 Ų136121.6 Ų121.673%0.72761%0.609SS**  trans89.2113.8160.5-143.6-18.9000119.8
248S44.5Very low57.1Low81 Ų81127.3 Ų127.357%0.56662%0.624SS**  trans57.6108.7151.947.30000122.9T250S248-T250 PolarHBondContact O-N 3.17Å
249K54.2Low57.3Low213 Ų213129.8 Ų129.893%0.92663%0.634SS**  trans15.680130.8-66.2173.4-178.8171.10116.1
250T41Very low57.5Low96 Ų96136.4 Ų136.459%0.58965%0.651SS**  trans-137.2131.1151.840.80000107S248 T252S248-T250 PolarHBondContact O-N 3.17Å; T250-T252 PolarHBondContact O-N 3.34Å
251L50.6Low58Low193 Ų193138.9 Ų138.9100%1.0166%0.664SS**  trans-70.168.4175.2-87.8157.2000108.9
252T50.7Low59.2Low97 Ų97139 Ų13960%0.59567%0.665SS**  trans-82.8120.8174.2-51.20000107.4T250 V254T250-T252 PolarHBondContact O-N 3.34Å; T252-V254 PolarHBondContact O-N 3.02Å
253S56.9Low60.9Low107 Ų107134 Ų13475%0.74866%0.657SS**  trans-50111.1-174.356.30000111.9C255S253-C255 PolarHBondContact O-N 3.42Å; S253-C255 VanDerWaalsContact O-N 3.11Å
254V62Low62.5Low79 Ų79126.5 Ų126.548%0.47963%0.63SS.*  trans-59.6116.6170.2178.40000107.7T252 T256T252-V254 PolarHBondContact O-N 3.02Å; V254-T256 HydrophobicContact CG1-CG2 4.44Å; V254-T256 PolarHBondContact O-N 2.83Å
255C68.9Low64.2Low20 Ų20120.7 Ų120.714%0.13560%0.603CS.*  trans-67.3118.1177.5-1750000109C238 S253 H268C238-C255 HydrophobicContact CB-CB 4.42Å; S253-C255 PolarHBondContact O-N 3.42Å; S253-C255 VanDerWaalsContact O-N 3.11Å; C255-H268 PolarHBondContact SG-NE2 3.45Å
256T69.3Low66Low109 Ų109114.6 Ų114.667%0.66959%0.585SS**  trans-112.125-178.941.90000112V254V254-T256 HydrophobicContact CG1-CG2 4.44Å; V254-T256 PolarHBondContact O-N 2.83Å
257K77.2Confident68.1Low109 Ų109112.9 Ų112.947%0.47457%0.572SS.*  trans-72133-178.4-69.7-174.9-174.7175.40111.3C238 Y259C238-K257 PolarHBondContact N-O 2.89Å; K257-Y259 HydrophobicContact CB-CE2 3.7Å; K257-Y259 VanDerWaalsContact CD-OH 3.3Å; K257-Y259 WeakPolarHBondContact CD-OH 3.18Å
258R80.9Confident70.5Confident174 Ų174106.8 Ų106.866%0.65754%0.539SS*.EExtended strand (participates in β ladder)trans-110.2136.7178.3-54.7-168.6175.2-145.9-1.6109.7P235 V237P235-R258 HydrophobicContact CB-CB 4.36Å; V237-R258 HydrophobicContact CB-CG 4.47Å; V237-R258 HydrophobicContact CG1-CG 4.14Å; V237-R258 HydrophobicContact CG2-CB 4.42Å; V237-R258 HydrophobicContact CG2-CG 3.8Å
259Y81.9Confident72.3Confident55 Ų55107.7 Ų107.722%0.21653%0.531CS..EExtended strand (participates in β ladder)trans-122.6146.3-179.1-62.7-85.8000110.4Y236 K257 N261 L265 H268Y236-Y259 PolarHBondContact N-O 3.14Å; Y236-Y259 PolarHBondContact O-N 3.38Å; K257-Y259 HydrophobicContact CB-CE2 3.7Å; K257-Y259 VanDerWaalsContact CD-OH 3.3Å; K257-Y259 WeakPolarHBondContact CD-OH 3.18Å; Y259-N261 VanDerWaalsContact C-N 3.29Å; Y259-L265 HydrophobicContact CD2-CB 3.74Å; Y259-L265 HydrophobicContact CD2-CD1 3.52Å; Y259-L265 HydrophobicContact CD2-CG 4.26Å; Y259-L265 HydrophobicContact CE2-CB 4.43Å; Y259-L265 HydrophobicContact CE2-CD1 3.65Å; Y259-L265 HydrophobicContact CG-CB 4.18Å; Y259-H268 HydrophobicContact CE1-CB 4.23Å; Y259-H268 HydrophobicContact CE2-CB 3.73Å; Y259-H268 AromaticContact CE2-CD2 3.67Å; Y259-H268 AromaticContact CE2-CG 3.73Å; Y259-H268 VanDerWaalsContact CZ-CB 3.46Å; Y259-H268 AromaticContact CZ-CD2 3.92Å; Y259-H268 AromaticContact CZ-CG 3.54Å; Y259-H268 WeakPolarHBondContact OH-CB 3.23Å; Y259-H268 PolarHBondContact OH-CD2 3.36Å; Y259-H268 PolarHBondContact OH-ND1 3.19Å; Y259-H268 VanDerWaalsContact OH-ND1 3.07Å
260R73.3Confident73.6Confident248 Ų248100.6 Ų100.694%0.93651%0.505SS*.SBendtrans-76.7-18.2-179.7-163.1170.4-176.1177.30.8112.6
261N76.5Confident75.3Confident99 Ų99101 Ų10153%0.52950%0.5SS..SBendtrans-146.1148.2-174.641.611000111.8Y259 T263 G264Y259-N261 VanDerWaalsContact C-N 3.29Å; N261-T263 VanDerWaalsContact C-N 3.26Å; N261-T263 PolarHBondContact O-N 2.82Å; N261-G264 PolarHBondContact O-N 3.45Å; N261-G264 VanDerWaalsContact O-N 3.07Å
262R80.3Confident76.4Confident192 Ų19294 Ų9473%0.72547%0.468SS*.Hα-helixtrans-56-39.2-175.7-170.7173.5-175.4-150.4-1.8113.2Y236 G264 L265 S266Y236-R262 HydrophobicContact CD1-CB 4.3Å; Y236-R262 HydrophobicContact CD1-CG 4.28Å; Y236-R262 HydrophobicContact CE1-CB 4.11Å; Y236-R262 HydrophobicContact CE1-CG 3.6Å; Y236-R262 HydrophobicContact CE2-CG 4.46Å; R262-G264 VanDerWaalsContact C-N 3.31Å; R262-G264 PolarHBondContact O-N 3.18Å; R262-L265 PolarHBondContact O-N 3.32Å; R262-S266 PolarHBondContact O-N 3.3Å
263T82.8Confident77.2Confident113 Ų11391.5 Ų91.569%0.69345%0.449SS*.Hα-helixtrans-60.7-39.3178.7-40.40000112N261 S266 Y267N261-T263 VanDerWaalsContact C-N 3.26Å; N261-T263 PolarHBondContact O-N 2.82Å; T263-S266 PolarHBondContact O-N 3.34Å; T263-Y267 PolarHBondContact O-N 2.99Å
264G85.6Confident77.4Confident19 Ų1991 Ų9120%0.19644%0.437CS..Hα-helixtrans-65.3-40.5179.700000113.1N261 R262 H268N261-G264 PolarHBondContact O-N 3.45Å; N261-G264 VanDerWaalsContact O-N 3.07Å; R262-G264 VanDerWaalsContact C-N 3.31Å; R262-G264 PolarHBondContact O-N 3.18Å; G264-H268 WeakPolarHBondContact O-CB 3.18Å; G264-H268 PolarHBondContact O-N 3.02Å; G264-H268 VanDerWaalsContact O-N 3.07Å
265L84.5Confident77Confident13 Ų1389.5 Ų89.57%0.06843%0.434CS..Hα-helixtrans-72-35.4174.6-178.467.3000112.1Y236 V237 C238 Y259 R262 Y267 H268 Y269Y236-L265 HydrophobicContact CD1-CB 3.09Å; Y236-L265 HydrophobicContact CD1-CD2 3.17Å; Y236-L265 HydrophobicContact CD1-CG 3.66Å; Y236-L265 HydrophobicContact CD2-CD2 4.25Å; Y236-L265 HydrophobicContact CE1-CB 3.33Å; Y236-L265 HydrophobicContact CE1-CD2 3.08Å; Y236-L265 HydrophobicContact CE1-CG 3.62Å; Y236-L265 HydrophobicContact CE2-CD2 4.18Å; Y236-L265 HydrophobicContact CG-CB 4.21Å; Y236-L265 HydrophobicContact CG-CD2 3.74Å; V237-L265 WeakPolarHBondContact O-CD2 3.03Å; C238-L265 HydrophobicContact CB-CD1 3.53Å; Y259-L265 HydrophobicContact CD2-CB 3.74Å; Y259-L265 HydrophobicContact CD2-CD1 3.52Å; Y259-L265 HydrophobicContact CD2-CG 4.26Å; Y259-L265 HydrophobicContact CE2-CB 4.43Å; Y259-L265 HydrophobicContact CE2-CD1 3.65Å; Y259-L265 HydrophobicContact CG-CB 4.18Å; R262-L265 PolarHBondContact O-N 3.32Å; L265-Y267 VanDerWaalsContact C-N 3.35Å; L265-H268 WeakPolarHBondContact O-CB 3.33Å; L265-H268 PolarHBondContact O-N 2.82Å; L265-Y269 PolarHBondContact O-N 3.09Å
266S81.6Confident76.3Confident71 Ų7193.9 Ų93.950%0.49745%0.452SS..Hα-helixtrans-60-47.6176.8-167.70000110.8R262 T263 H268 Y269 T270R262-S266 PolarHBondContact O-N 3.3Å; T263-S266 PolarHBondContact O-N 3.34Å; S266-H268 VanDerWaalsContact C-N 3.31Å; S266-H268 PolarHBondContact O-N 3.37Å; S266-Y269 PolarHBondContact O-N 3.45Å; S266-T270 WeakPolarHBondContact O-CG2 3.4Å; S266-T270 PolarHBondContact O-N 3.34Å; S266-T270 VanDerWaalsContact O-N 3.1Å; S266-T270 PolarHBondContact O-OG1 3.09Å
267Y89.1Confident75.6Confident147 Ų14795.3 Ų95.358%0.57645%0.451SS*.Hα-helixtrans-59.7-42.7174.2-178.6-91000111.8T263 L265 Y269 T270 H271T263-Y267 PolarHBondContact O-N 2.99Å; L265-Y267 VanDerWaalsContact C-N 3.35Å; Y267-Y269 VanDerWaalsContact C-N 3.31Å; Y267-Y269 PolarHBondContact O-N 3.5Å; Y267-T270 PolarHBondContact O-N 3.45Å; Y267-T270 PolarHBondContact O-OG1 3.48Å; Y267-T270 VanDerWaalsContact O-OG1 3.06Å; Y267-H271 AromaticContact CD2-CD2 3.24Å; Y267-H271 WeakPolarHBondContact CD2-CD2 3.12Å; Y267-H271 AromaticContact CD2-NE2 3.57Å; Y267-H271 HydrophobicContact CE1-CB 4.21Å; Y267-H271 AromaticContact CE1-CD2 3.89Å; Y267-H271 AromaticContact CE2-CD2 3.07Å; Y267-H271 WeakPolarHBondContact CE2-CD2 3.23Å; Y267-H271 AromaticContact CE2-CG 3.9Å; Y267-H271 AromaticContact CE2-NE2 3.25Å; Y267-H271 VanDerWaalsContact CE2-NE2 3.25Å; Y267-H271 WeakPolarHBondContact CE2-NE2 3.18Å; Y267-H271 AromaticContact CG-CD2 3.71Å; Y267-H271 AromaticContact CZ-CD2 3.41Å; Y267-H271 VanDerWaalsContact CZ-CD2 3.41Å; Y267-H271 AromaticContact CZ-CG 3.8Å; Y267-H271 AromaticContact CZ-NE2 3.93Å; Y267-H271 WeakPolarHBondContact O-CB 3.17Å; Y267-H271 PolarHBondContact O-CD2 3Å; Y267-H271 VanDerWaalsContact O-CD2 3.26Å; Y267-H271 PolarHBondContact O-N 3.43Å
268H87.9Confident74.2Confident7 Ų797 Ų973%0.03247%0.466CS..Hα-helixtrans-61.6-40.4177.2176.157000112.8C255 Y259 G264 L265 S266 S272 H273C255-H268 PolarHBondContact SG-NE2 3.45Å; Y259-H268 HydrophobicContact CE1-CB 4.23Å; Y259-H268 HydrophobicContact CE2-CB 3.73Å; Y259-H268 AromaticContact CE2-CD2 3.67Å; Y259-H268 AromaticContact CE2-CG 3.73Å; Y259-H268 VanDerWaalsContact CZ-CB 3.46Å; Y259-H268 AromaticContact CZ-CD2 3.92Å; Y259-H268 AromaticContact CZ-CG 3.54Å; Y259-H268 WeakPolarHBondContact OH-CB 3.23Å; Y259-H268 PolarHBondContact OH-CD2 3.36Å; Y259-H268 PolarHBondContact OH-ND1 3.19Å; Y259-H268 VanDerWaalsContact OH-ND1 3.07Å; G264-H268 WeakPolarHBondContact O-CB 3.18Å; G264-H268 PolarHBondContact O-N 3.02Å; G264-H268 VanDerWaalsContact O-N 3.07Å; L265-H268 WeakPolarHBondContact O-CB 3.33Å; L265-H268 PolarHBondContact O-N 2.82Å; S266-H268 VanDerWaalsContact C-N 3.31Å; S266-H268 PolarHBondContact O-N 3.37Å; H268-S272 WeakPolarHBondContact CE1-CB 3.15Å; H268-S272 PolarHBondContact CE1-OG 2.9Å; H268-S272 WeakPolarHBondContact ND1-CB 3.1Å; H268-S272 PolarHBondContact ND1-OG 3.17Å; H268-S272 VanDerWaalsContact O-CB 3.25Å; H268-S272 WeakPolarHBondContact O-CB 3.27Å; H268-S272 PolarHBondContact O-N 3.18Å; H268-H273 AromaticContact NE2-NE2 3.99Å
269Y83Confident72.6Confident101 Ų10197.6 Ų97.640%0.39647%0.468SS..Iπ-helixtrans-64.4-43.3178.3-152-85.7000111.3N240 L265 S266 Y267N240-Y269 PolarHBondContact OD1-OH 3.45Å; L265-Y269 PolarHBondContact O-N 3.09Å; S266-Y269 PolarHBondContact O-N 3.45Å; Y267-Y269 VanDerWaalsContact C-N 3.31Å; Y267-Y269 PolarHBondContact O-N 3.5Å
270T80.6Confident70.8Confident64 Ų64100.7 Ų100.739%0.39349%0.492SS..Iπ-helixtrans-74.9-28.9-178.457.30000113.6S266 Y267 L274S266-T270 WeakPolarHBondContact O-CG2 3.4Å; S266-T270 PolarHBondContact O-N 3.34Å; S266-T270 VanDerWaalsContact O-N 3.1Å; S266-T270 PolarHBondContact O-OG1 3.09Å; Y267-T270 PolarHBondContact O-N 3.45Å; Y267-T270 PolarHBondContact O-OG1 3.48Å; Y267-T270 VanDerWaalsContact O-OG1 3.06Å; T270-L274 WeakPolarHBondContact O-CD1 3.39Å
271H76.6Confident69.3Low103 Ų10392 Ų9248%0.47748%0.48SS..Iπ-helixtrans-107.6-19.9-174-69-73.8000115.3Y267Y267-H271 AromaticContact CD2-CD2 3.24Å; Y267-H271 WeakPolarHBondContact CD2-CD2 3.12Å; Y267-H271 AromaticContact CD2-NE2 3.57Å; Y267-H271 HydrophobicContact CE1-CB 4.21Å; Y267-H271 AromaticContact CE1-CD2 3.89Å; Y267-H271 AromaticContact CE2-CD2 3.07Å; Y267-H271 WeakPolarHBondContact CE2-CD2 3.23Å; Y267-H271 AromaticContact CE2-CG 3.9Å; Y267-H271 AromaticContact CE2-NE2 3.25Å; Y267-H271 VanDerWaalsContact CE2-NE2 3.25Å; Y267-H271 WeakPolarHBondContact CE2-NE2 3.18Å; Y267-H271 AromaticContact CG-CD2 3.71Å; Y267-H271 AromaticContact CZ-CD2 3.41Å; Y267-H271 VanDerWaalsContact CZ-CD2 3.41Å; Y267-H271 AromaticContact CZ-CG 3.8Å; Y267-H271 AromaticContact CZ-NE2 3.93Å; Y267-H271 WeakPolarHBondContact O-CB 3.17Å; Y267-H271 PolarHBondContact O-CD2 3Å; Y267-H271 VanDerWaalsContact O-CD2 3.26Å; Y267-H271 PolarHBondContact O-N 3.43Å
272S74.9Confident67.6Low48 Ų4895.6 Ų95.634%0.33649%0.494SS..Iπ-helixtrans-107.2-26.4-177.9-56.30000114.5H268H268-S272 WeakPolarHBondContact CE1-CB 3.15Å; H268-S272 PolarHBondContact CE1-OG 2.9Å; H268-S272 WeakPolarHBondContact ND1-CB 3.1Å; H268-S272 PolarHBondContact ND1-OG 3.17Å; H268-S272 VanDerWaalsContact O-CB 3.25Å; H268-S272 WeakPolarHBondContact O-CB 3.27Å; H268-S272 PolarHBondContact O-N 3.18Å
273H67.6Low65.4Low44 Ų4494.6 Ų94.620%0.20449%0.49CS..Iπ-helixtrans-96.1-33177.9-75.2-62.1000113.3C238 N240 H268 E276 E277C238-H273 PolarHBondContact SG-NE2 2.86Å; N240-H273 PolarHBondContact ND2-CD2 2.82Å; N240-H273 VanDerWaalsContact ND2-CD2 3.29Å; N240-H273 PolarHBondContact ND2-CE1 3.06Å; N240-H273 VanDerWaalsContact ND2-CE1 3.33Å; N240-H273 PolarHBondContact ND2-ND1 3.37Å; N240-H273 PolarHBondContact ND2-NE2 3.26Å; H268-H273 AromaticContact NE2-NE2 3.99Å; H273-E276 PolarHBondContact O-N 3.04Å; H273-E277 PolarHBondContact O-N 3.38Å
274L60Low62.9Low95 Ų9594.2 Ų94.250%0.49749%0.492SS..Hα-helixtrans-71.2-30.6174.4-63.7178.3000112.6T270 E276 E277 D278T270-L274 WeakPolarHBondContact O-CD1 3.39Å; L274-E276 VanDerWaalsContact C-N 3.32Å; L274-E276 PolarHBondContact O-N 3.34Å; L274-E277 PolarHBondContact O-N 2.83Å; L274-D278 PolarHBondContact O-N 2.86Å
275A53.7Low60.6Low49 Ų4998.5 Ų98.541%0.40551%0.514SS..Hα-helixtrans-74-20.1177.700000113.9
276E55.2Low58.2Low112 Ų112103.3 Ų103.352%0.52354%0.544SS..Hα-helixtrans-87-32.4172.8-71.1-72.913700111.1H273 L274 D278 R279 T280H273-E276 PolarHBondContact O-N 3.04Å; L274-E276 VanDerWaalsContact C-N 3.32Å; L274-E276 PolarHBondContact O-N 3.34Å; E276-D278 VanDerWaalsContact C-N 3.28Å; E276-D278 PolarHBondContact O-N 3.38Å; E276-R279 PolarHBondContact O-N 3.32Å; E276-T280 PolarHBondContact O-N 3.33Å; E276-T280 VanDerWaalsContact O-N 3.17Å; E276-T280 PolarHBondContact O-OG1 3.44Å
277E54.3Low55.9Low139 Ų139103.7 Ų103.765%0.6555%0.552SS**Hα-helixtrans-62.5-36.6175.3-152.7164.4-159.100111.3H273 L274 R279 T280H273-E277 PolarHBondContact O-N 3.38Å; L274-E277 PolarHBondContact O-N 2.83Å; E277-R279 VanDerWaalsContact C-N 3.25Å; E277-R279 PolarHBondContact O-N 3.29Å; E277-T280 PolarHBondContact O-N 2.82Å; E277-T280 PolarHBondContact O-OG1 2.83Å
278D48.2Very low53.3Low145 Ų145102 Ų10278%0.77556%0.561SS**THydrogen-bonded Turntrans-71.8-13.5174.8-15131.8000113.8L274 E276L274-D278 PolarHBondContact O-N 2.86Å; E276-D278 VanDerWaalsContact C-N 3.28Å; E276-D278 PolarHBondContact O-N 3.38Å
279R46.7Very low50.7Low185 Ų185113.5 Ų113.570%0.69860%0.604SS**THydrogen-bonded Turntrans-100.8-16.2176.9-72-177.7175.9169.90.7114.1E276 E277E276-R279 PolarHBondContact O-N 3.32Å; E277-R279 VanDerWaalsContact C-N 3.25Å; E277-R279 PolarHBondContact O-N 3.29Å
280T43.5Very low48.2Very low120 Ų120113.9 Ų113.974%0.73662%0.621SS**SBendtrans-85.3-8.1173.624.30000114.2E276 E277E276-T280 PolarHBondContact O-N 3.33Å; E276-T280 VanDerWaalsContact O-N 3.17Å; E276-T280 PolarHBondContact O-OG1 3.44Å; E277-T280 PolarHBondContact O-N 2.82Å; E277-T280 PolarHBondContact O-OG1 2.83Å
281G42.8Very low45.9Very low65 Ų65117.1 Ų117.167%0.6764%0.643SS**SBendtrans-81.7-21174.500000115
282E40Very low43.8Very low175 Ų175118.5 Ų118.582%0.81866%0.659SS**  trans-137.891.7-175.1-71.5-169.7153.100111.8
283R34.2Very low42.1Very low172 Ų172120.4 Ų120.465%0.64968%0.678SS**  trans-139.7105.5152.2-170.364.2-173.5-174.9-2.7112.5V286R283-V286 VanDerWaalsContact CZ-O 3.31Å; R283-V286 PolarHBondContact NH1-O 3.23Å; R283-V286 VanDerWaalsContact NH2-CA 3.35Å; R283-V286 PolarHBondContact NH2-O 3.24Å
284S31.7Very low40.6Very low104 Ų104124.5 Ų124.573%0.72771%0.708SS**  trans-140.4117.4136.2-159.10000110.5
285T36.9Very low39.2Very low109 Ų109128.7 Ų128.767%0.66973%0.725SS**SBendtrans70.6133.5170.582.20000114
286V33.4Very low38.4Very low115 Ų115132.1 Ų132.170%0.69774%0.741SS**  cis-146.5159.320.7172.30000108.9R283R283-V286 VanDerWaalsContact CZ-O 3.31Å; R283-V286 PolarHBondContact NH1-O 3.23Å; R283-V286 VanDerWaalsContact NH2-CA 3.35Å; R283-V286 PolarHBondContact NH2-O 3.24Å
287A32.9Very low37.1Very low79 Ų79133.9 Ų133.965%0.65375%0.754SS**  trans-46.1142.8-166.800000118.2
288S34.3Very low36.1Very low110 Ų110136.9 Ų136.977%0.76976%0.76SS**  trans7.7129143.7-43.10000119.2
289R33.3Very low35.6Very low250 Ų250137.8 Ų137.894%0.94376%0.759SS**  -177.5124.5121.1-97.1171122.6-154.7-7111.8
290S31.3Very low34.8Very low109 Ų109139.1 Ų139.176%0.76277%0.77SS**PPolyproline II helixtrans-73.9149.1175.5-40.50000112
291P32.2Very low34.4Very low131 Ų131144.7 Ų144.785%0.85178%0.777SS**PPolyproline II helixtrans-88.8118.1164.830.9-22.9000110.4
292T32.9Very low33.9Very low133 Ų133147.3 Ų147.382%0.81679%0.785SS**PPolyproline II helixtrans-69.8142.1168.1-40.60000110.3
293A39.6Very low33.6Very low88 Ų88147.9 Ų147.973%0.72779%0.785SS**PPolyproline II helixtrans-59.5141.6169.800000111.9
294P35.7Very low33.3Very low129 Ų129145.9 Ų145.984%0.83879%0.792SS**PPolyproline II helixtrans-91.7119166.818.6-4.8000111.4
295Q30.9Very low33.4Very low183 Ų183146.4 Ų146.486%0.85580%0.795SS**PPolyproline II helixtrans-67.2156.3157.2-88.5-155.8-2000111.5
296T36.6Very low33.1Very low121 Ų121144.9 Ų144.974%0.74280%0.802SS**  trans-37.3131.4159.852.80000113.8
297D27.8Very low33.2Very low149 Ų149143 Ų14380%0.79781%0.806SS**  176.9164.4109.4-132.8-42.5000112.4
298R32.6Very low33.5Very low202 Ų202145.8 Ų145.876%0.76282%0.815SS**  trans-61.7148.7-167.2-76.3170.2158.3-179.4-6118
299H37.8Very low33.7Very low165 Ų165146.8 Ų146.876%0.76482%0.817SS**  trans70.4105.4143.7-57.3-16.7000120.7
300K30.5Very low34.3Very low212 Ų212141.8 Ų141.892%0.92281%0.807SS**  -161.7136.9123.9-121.1172-177.2177.20112.1
301R35.1Very low34.8Very low237 Ų237142 Ų14289%0.89481%0.805SS**  trans-81.5133.9178.6-176-174.2-158-154.28.3110.4
302S33.2Very low35.5Very low120 Ų120141 Ų14184%0.83979%0.793SS**  trans-151.1146.315248.50000110.6
303K31.8Very low36.3Very low187 Ų187142.4 Ų142.481%0.81380%0.796SS**  trans-99.9166.9-163.8-178.1162.4177.3171.10110.4
304V28.8Very low37.5Very low131 Ų131144.9 Ų144.979%0.79479%0.787SS**  trans91.4130169.5-174.20000112.7
305S33.9Very low39.2Very low114 Ų114141.9 Ų141.980%0.79777%0.769SS**  cis-172.3145.7-8.847.30000107.3
306G30.6Very low40.8Very low78 Ų78140.6 Ų140.680%0.80477%0.767SS**  trans157.667.2169.900000112.7
307G34.7Very low41.7Very low76 Ų76144 Ų14478%0.78477%0.772SS**  trans-8511617800000111.3
308T40.3Very low43.1Very low136 Ų136140.2 Ų140.283%0.83476%0.757SS**  trans-71.3120.8163.2-49.70000108.4I310T308-I310 PolarHBondContact O-N 3.42Å
309T38Very low44.2Very low132 Ų132135.8 Ų135.881%0.8174%0.744SS**  trans-65.8109.9-174.7-42.10000111.5
310I45.9Very low44.7Very low145 Ų145131.2 Ų131.274%0.74474%0.742SS**  trans-72.2127.3161.4-61165.5000106.8T308 N312T308-I310 PolarHBondContact O-N 3.42Å; I310-N312 PolarHBondContact O-N 2.84Å
311P41.4Very low45.7Very low112 Ų112125.5 Ų125.573%0.72773%0.734SS**  trans-67.8110177.126.6-31000109.1
312N47.9Very low46.3Very low110 Ų110120.3 Ų120.359%0.58872%0.724SS**  trans-90.2123.2-179.9-156.44.7000109I310 Y314I310-N312 PolarHBondContact O-N 2.84Å; N312-Y314 PolarHBondContact O-N 2.85Å; N312-Y314 WeakPolarHBondContact OD1-CD2 3.17Å; N312-Y314 WeakPolarHBondContact OD1-CE2 3.38Å
313N50.1Low47.2Very low163 Ų163125.6 Ų125.687%0.87273%0.726SS**  trans-77.251.6-177-78.1-60.1000113
314Y65.1Low48.1Very low141 Ų141125.8 Ų125.855%0.55373%0.727SS**  trans-125.5139.6174.4-62.4-78.8000111.5N312N312-Y314 PolarHBondContact O-N 2.85Å; N312-Y314 WeakPolarHBondContact OD1-CD2 3.17Å; N312-Y314 WeakPolarHBondContact OD1-CE2 3.38Å
315C70.1Confident48.8Very low66 Ų66124.9 Ų124.945%0.44672%0.721SS.*  trans-75.1140.2178.1169.40000111.4K317 C318 H319C315-K317 PolarHBondContact O-N 3.47Å; C315-C318 PolarHBondContact O-N 2.85Å; C315-H319 PolarHBondContact O-CD2 2.8Å
316N63.9Low49.5Very low155 Ų155123.3 Ų123.383%0.82972%0.724SS**THydrogen-bonded Turntrans-51.5-22.5178.3-79.1-29.6000114.8
317K55.7Low50Low192 Ų192128.9 Ų128.984%0.83573%0.725SS**THydrogen-bonded Turntrans-76.2-24.3177.1-140.373.2156.1-170.60113.7C315C315-K317 PolarHBondContact O-N 3.47Å
318C57.6Low50.5Low71 Ų71131.5 Ų131.548%0.4873%0.732SS.*G310 helixtrans-88.2-10.4-177.3-63.80000113.5C315 G320C315-C318 PolarHBondContact O-N 2.85Å; C318-G320 PolarHBondContact O-N 3.32Å
319H55.3Low50.3Low108 Ų108128.3 Ų128.350%0.573%0.726SS.*G310 helixtrans-72.9-12.6-178.6-79.6-87.6000114.3C315C315-H319 PolarHBondContact O-CD2 2.8Å
320G49.8Very low50.4Low69 Ų69127.4 Ų127.471%0.71173%0.725SS**G310 helixtrans-86.7-21.1-175.800000115.8C318C318-G320 PolarHBondContact O-N 3.32Å
321A50.6Low50.2Low92 Ų92125.6 Ų125.676%0.7672%0.723SS**SBendtrans-92.8-14.7-166.400000115.1
322N47.8Very low50.1Low128 Ų128125.2 Ų125.268%0.68472%0.722SS**  trans-102.324.4-165.7-146.25.7000116
323R51.5Low49.9Very low231 Ų231125.3 Ų125.387%0.87274%0.737SS**SBendtrans-92.75.5175.9-66-160.8-161.1-122.86.2115
324K50.3Low49.5Very low192 Ų192121.5 Ų121.584%0.83573%0.729SS**SBendtrans-140.449.4-178-63.8-170.1-178.4-1790114.3
325T44.3Very low48.6Very low111 Ų111118.3 Ų118.368%0.68173%0.726SS**  trans-173.7112.7149.616.20000109K327T325-K327 PolarHBondContact O-N 2.84Å; T325-K327 VanDerWaalsContact O-N 3.07Å
326G47.9Very low47.4Very low82 Ų82124.1 Ų124.185%0.84575%0.747SS**  trans-67.5103.716500000108.8
327K41Very low46.1Very low194 Ų194121.5 Ų121.584%0.84374%0.739SS**  trans-164.1115.5161.2-100.3155-171.4-173.50107.8T325 G329T325-K327 PolarHBondContact O-N 2.84Å; T325-K327 VanDerWaalsContact O-N 3.07Å; K327-G329 PolarHBondContact O-N 3.5Å
328S46.4Very low45.2Very low131 Ų131118.2 Ų118.292%0.91674%0.736SS**  trans-63.7123170.4480000110.3
329G34.9Very low44.3Very low69 Ų69121.6 Ų121.671%0.71175%0.754SS**  trans-170.412117300000113.3K327K327-G329 PolarHBondContact O-N 3.5Å
330S40.9Very low43.1Very low114 Ų114120.4 Ų120.480%0.79777%0.772SS**  trans39.3138.8162.869.60000122
331P40.8Very low42.1Very low106 Ų106121.2 Ų121.269%0.68878%0.779SS**  trans-65.2136.1170.7-12.127.1000111.8A333P331-A333 PolarHBondContact O-N 3.34Å; P331-A333 VanDerWaalsContact O-N 3.17Å
332C40.1Very low41.1Very low105 Ų105120.7 Ų120.771%0.70978%0.783SS**  trans-64.2109179.8-171.20000111.4A334C332-A334 PolarHBondContact O-N 3.27Å
333A42.7Very low40.5Very low111 Ų111123.6 Ų123.692%0.91779%0.793SS**SBendtrans-82.912175.700000113.9P331P331-A333 PolarHBondContact O-N 3.34Å; P331-A333 VanDerWaalsContact O-N 3.17Å
334A43.2Very low39.7Very low83 Ų83122.1 Ų122.169%0.68680%0.795SS**  trans-13036.9-17000000114.1C332 Q336C332-A334 PolarHBondContact O-N 3.27Å; A334-Q336 PolarHBondContact O-N 3.13Å
335C46.5Very low38.9Very low74 Ų74121.5 Ų121.550%0.579%0.793SS.*  trans-93.389.2171.4-173.30000110.5C337C335-C337 PolarHBondContact O-N 2.84Å
336Q43.1Very low38.6Very low188 Ų188122.6 Ų122.688%0.87979%0.79SS**  trans-83.395168.9-65.7-179.214.700109.1A334A334-Q336 PolarHBondContact O-N 3.13Å
337C36.7Very low37.9Very low100 Ų100126.1 Ų126.168%0.67679%0.79SS**  trans-126.782.5168.4-67.50000108.8C335C335-C337 PolarHBondContact O-N 2.84Å
338T37Very low37.4Very low124 Ų124120.7 Ų120.776%0.76179%0.789SS**  trans-116.1109.9162510000108.6
339T40Very low36.8Very low141 Ų141120.9 Ų120.987%0.86579%0.785SS**  trans38.3113139.156.60000119.1
340G30.3Very low36.5Very low84 Ų84127.8 Ų127.887%0.86680%0.795SS**  trans-134.9146.8149.100000107.9
341G28.4Very low36.2Very low85 Ų85126.6 Ų126.688%0.87679%0.792SS**  cis-174.6165.72.200000107.4
342G28.5Very low35.5Very low81 Ų81126.2 Ų126.284%0.83580%0.799SS**  trans-178.8105.8174.500000109.4
343E36Very low35.2Very low190 Ų190126 Ų12689%0.88880%0.804SS**  trans-71.8153.6-172.2-58.9165.513500112.7
344E34.1Very low35.1Very low199 Ų199129.8 Ų129.893%0.9380%0.803SS**  trans-171.4135.2130.9-100.8169.2-158.900112.2
345K34.7Very low35.3Very low179 Ų179134.7 Ų134.778%0.77881%0.812SS**  trans-60.2169172.8-86.7170.6150.5-147.20112.6
346E37Very low35.1Very low134 Ų134137.8 Ų137.863%0.62682%0.823SS**  cis-168.3153.419.2-122158.9-155.400109.2
347D33.3Very low34.9Very low156 Ų156137.9 Ų137.983%0.83482%0.82SS**  trans53.6132.6145.1-57.4-19.6000125.7
348G30.8Very low34.9Very low80 Ų80136.7 Ų136.783%0.82583%0.825SS**  trans166.574159.300000115.2
349T33.9Very low35.1Very low135 Ų135137.4 Ų137.483%0.82883%0.83SS**  trans-67134169.8-59.90000111.9
350F29.1Very low35Very low214 Ų214137.2 Ų137.294%0.93983%0.828SS**  trans-164.6142.6136.1-110.7-78.1000111.4
351A33.3Very low35.5Very low89 Ų89138.2 Ų138.274%0.73682%0.822SS**  trans-91.3169.5-170.500000114.2
352A27.8Very low36.2Very low99 Ų99142.2 Ų142.282%0.81882%0.818SS**  trans76.6112.8152.400000118.9
353A32.5Very low36.8Very low100 Ų100143.6 Ų143.683%0.82682%0.815SS**  172112.4103.300000109.2
354E40.6Very low36.7Very low190 Ų190142 Ų14289%0.88881%0.812SS**  trans-70169.8157.7-72.5-161.1142.800110.3
355E47.7Very low36.9Very low187 Ų187139.2 Ų139.287%0.87481%0.809SS**  trans91.188.4177.8-57.8-162.7159.300116.6
356L42.8Very low37.4Very low139 Ų139136.5 Ų136.573%0.72881%0.813SS**  trans-153.5137.1143-145.363.5000111
357F39.4Very low37.7Very low189 Ų189135.2 Ų135.283%0.82981%0.814SS**  trans93.569.1172.8-46.1-67000117.3
358G35.9Very low37.6Very low76 Ų76135.8 Ų135.878%0.78481%0.809SS**  62.3103.189.400000117.6
359T41.4Very low38.1Very low139 Ų139139.5 Ų139.585%0.85381%0.805SS**  trans-70.3119.3161.649.20000111.8
360T38.6Very low38.2Very low136 Ų136135.8 Ų135.883%0.83479%0.794SS**  trans-151.1115.9152.453.70000107
361S39.3Very low38.4Very low105 Ų105134.1 Ų134.173%0.73479%0.786SS**  102.2123.386-161.50000111.1
362E44.6Very low38.9Very low170 Ų170138.5 Ų138.579%0.79479%0.792SS**  trans-46.7148.1170.560-141.8105.700115.8
363S39.7Very low39.3Very low109 Ų109141.2 Ų141.276%0.76279%0.792SS**  trans170.5133.2133.3-66.40000113.4
364D35.1Very low39.7Very low157 Ų157144.1 Ų144.184%0.8479%0.794SS**  trans64.390.6147.7-61.8-16.3000122.6
365T38Very low39.7Very low140 Ų140142.4 Ų142.486%0.85979%0.791SS**  trans-9898.1149.759.90000110T367T365-T367 PolarHBondContact O-N 3.49Å
366S45.2Very low39.4Very low122 Ų122141.8 Ų141.885%0.85379%0.793SS**  trans-63.1123.5171.1174.70000110.9
367T42.9Very low39.2Very low108 Ų108144.1 Ų144.166%0.66380%0.8SS**  trans-87.6111.4170.9-67.50000108.2T365 H369T365-T367 PolarHBondContact O-N 3.49Å; T367-H369 PolarHBondContact O-N 2.84Å
368F31.2Very low39.2Very low167 Ų167143.2 Ų143.273%0.73280%0.798SS**  trans-71.3107.8170.7-179.2-102000109.1F371F368-F371 HydrophobicContact CE2-CE2 4.18Å; F368-F371 HydrophobicContact CZ-CD2 4.29Å; F368-F371 HydrophobicContact CZ-CE2 4.04Å
369H42.2Very low39.5Very low158 Ų158145.4 Ų145.473%0.73180%0.799SS**PPolyproline II helixtrans-79.9134.7165.9-86.310.3000109.5T367T367-H369 PolarHBondContact O-N 2.84Å
370G34Very low39.1Very low57 Ų57142.7 Ų142.759%0.58879%0.79SS**PPolyproline II helixtrans-61.4144.7176.400000111.3E372G370-E372 PolarHBondContact O-N 2.94Å
371F34.5Very low38.9Very low179 Ų179140.8 Ų140.879%0.78579%0.789SS**PPolyproline II helixtrans-64.2118.2169.8-72.7-93.9000108.5F368F368-F371 HydrophobicContact CE2-CE2 4.18Å; F368-F371 HydrophobicContact CZ-CD2 4.29Å; F368-F371 HydrophobicContact CZ-CE2 4.04Å
372E42.6Very low38.6Very low182 Ų182139.9 Ų139.985%0.8579%0.787SS**PPolyproline II helixtrans-81.5123.4162.5-63.7176.9146.900106.4G370 D374G370-E372 PolarHBondContact O-N 2.94Å; E372-D374 PolarHBondContact O-N 3.45Å
373D37.8Very low38.1Very low156 Ų156138.9 Ų138.983%0.83479%0.788SS**  trans-70.8106.8171.1-68.9-55.5000108.1
374D40.3Very low37.7Very low161 Ų161138.1 Ų138.186%0.86178%0.782SS**  trans-89.2104169.3-103.3-37.8000109.2E372E372-D374 PolarHBondContact O-N 3.45Å
375D40.6Very low37.7Very low153 Ų153138.4 Ų138.482%0.81878%0.783SS**  trans-63.8129.2168.7-84.4-54.9000110.8E377D375-E377 PolarHBondContact O-N 3.16Å
376L40.4Very low37.4Very low175 Ų175134.8 Ų134.892%0.91677%0.774SS**  trans-63.9118.9171.2-78.9155.4000111.2
377E39.3Very low37.1Very low188 Ų188137.2 Ų137.288%0.87978%0.776SS**  trans-135.1108.7156.9-161167.3-159.700111D375D375-E377 PolarHBondContact O-N 3.16Å
378E39.3Very low36.8Very low169 Ų169137.3 Ų137.379%0.7978%0.781SS**  trans-77.3141.9163.9-155.4-166.2142.100108.2
379P42.7Very low37.1Very low123 Ų123133.6 Ų133.680%0.79978%0.775SS**  -145.5160.810232.9-14.6000115.6
380A33.6Very low37Very low81 Ų81136.7 Ų136.767%0.66978%0.781SS**  trans-58.8157.8-176.100000118.1
381A32.9Very low37.2Very low97 Ų97142.5 Ų142.580%0.80279%0.792SS**  trans77.4115.4140.200000120.3
382A33.6Very low37.5Very low86 Ų86148.9 Ų148.971%0.71181%0.811SS**  134.7118118.400000114.8
383N33.3Very low37.2Very low149 Ų149147.3 Ų147.380%0.79781%0.809SS**  trans70.8105.6136.7-65.5-8.1000121
384S31.8Very low37.2Very low92 Ų92146.8 Ų146.864%0.64381%0.808SS**  68128.5120.974.30000120.9
385N34.7Very low37Very low163 Ų163146 Ų14687%0.87281%0.805SS**  trans76117.2140.1-63.8-13.3000118.5
386G33.1Very low36.8Very low64 Ų64145.6 Ų145.666%0.6680%0.804SS**  128.6100.7116.400000116
387I39.3Very low36.6Very low174 Ų174143.8 Ų143.889%0.89280%0.797SS**  trans20.3120.4130.434.3166.5000117.5
388S36.1Very low36.4Very low109 Ų109140.8 Ų140.876%0.76279%0.792SS**  178.2134.6101.6-170.80000112.5
389S37.5Very low36.2Very low89 Ų89138.8 Ų138.862%0.62279%0.792SS**  trans-42146.115956.50000116
390R40.4Very low35.7Very low223 Ų223140 Ų14084%0.84279%0.791SS**  156.2129.9110.9-90.5-179.8174.1-178.8-2.5112.4
391H38.5Very low35.9Very low180 Ų180144.9 Ų144.983%0.83380%0.801SS**  trans23.9122.8137.7-76.7-74.5000119
392R39.8Very low36.2Very low313 Ų313149.3 Ų149.3100%1.18180%0.801SS**  -158.8088.9-154.6176.6-165.6174.83.6111.2

Retrieved 392 of 392 residues in 521.1 ms (Link to these results)