A0A024RDL5_HUMAN Loading...

Activator of transcription and developmental regulator AUTS2

AlphaFold DB , UniProt , Accession A0A024RDL5, Species HUMAN (Homo sapiens, Human), Gene AUTS2, Length 801 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.5Very low51.7Low226 Ų226135.6 Ų135.6100%1.11382%0.817SS**  0139.80-71157.171.300107.7
2F47.3Very low51.8Low199 Ų199133.3 Ų133.387%0.87381%0.808SS**  trans30.1112171.5-57.6-73.5000119.7
3A52.8Low51.6Low90 Ų90131.9 Ų131.974%0.74480%0.803SS**PPolyproline II helixtrans-71.3157.316400000111.6
4P53.6Low50.6Low119 Ų119134.9 Ų134.977%0.77381%0.81SS**PPolyproline II helixtrans-65.8149.2177.728.4-35.9000112.2
5P53.9Low50.3Low126 Ų126134.5 Ų134.582%0.81881%0.809SS**PPolyproline II helixtrans-74.4137.6-173.929.8-35.1000112.9A7P5-A7 PolarHBondContact O-N 3.37Å
6T50Low49.5Very low135 Ų135134.3 Ų134.383%0.82882%0.816SS**PPolyproline II helixtrans-64.6121.5171.7-49.10000110.7
7A54.7Low48.6Very low94 Ų94130.5 Ų130.578%0.77781%0.81SS**PPolyproline II helixtrans-69.1131.417200000110.7P5P5-A7 PolarHBondContact O-N 3.37Å
8L56.6Low48Very low160 Ų160129.7 Ų129.784%0.83881%0.81SS**PPolyproline II helixtrans-77.2147.6176.5-68170.5000111.1
9P58.5Low47.4Very low110 Ų110131.3 Ų131.371%0.71481%0.812SS**PPolyproline II helixtrans-67.9152.5170.730.4-35.1000111.2
10P53.3Low46.8Very low118 Ų118134.6 Ų134.677%0.76682%0.817SS**PPolyproline II helixtrans-66.5147.7176.228.7-35000111.5
11P47.3Very low46.1Very low115 Ų115134.7 Ų134.775%0.74782%0.818SS**PPolyproline II helixtrans-70.5149.6179.929.6-35.2000112.1
12P53.2Low45.9Very low108 Ų108128.9 Ų128.970%0.70181%0.806SS**PPolyproline II helixtrans-69.3152.9174.430.4-35.3000111.7
13P48.6Very low45.5Very low115 Ų115122.3 Ų122.375%0.74779%0.794SS**PPolyproline II helixtrans-66136.9176.328.2-34.6000111.3T15P13-T15 PolarHBondContact O-N 3.27Å
14L37.8Very low44.4Very low173 Ų173126.4 Ų126.491%0.90680%0.798SS**  trans-71.6107.7-179.7-62.4175.9000110.9
15T46.9Very low44Very low130 Ų130127.4 Ų127.480%0.79880%0.804SS**  trans-88.6114.8168.352.40000109.7P13 G17P13-T15 PolarHBondContact O-N 3.27Å; T15-G17 PolarHBondContact O-N 3.04Å
16S37.3Very low43Very low130 Ų130125.5 Ų125.591%0.90980%0.799SS**  trans-74.762.7175.3-59.90000111.8S18S16-S18 PolarHBondContact O-N 3.13Å
17G34.6Very low42.4Very low70 Ų70122.3 Ų122.372%0.72279%0.793SS**  trans-79103.317800000111.8T15T15-G17 PolarHBondContact O-N 3.04Å
18S37.3Very low41.7Very low116 Ų116122.3 Ų122.381%0.81179%0.787SS**  trans-66.7141.6166.8-170.60000110.7S16S16-S18 PolarHBondContact O-N 3.13Å
19L36.2Very low41.1Very low161 Ų161121.4 Ų121.484%0.84379%0.788SS**  trans-27.5127.5-178.2-70.2158.8000116.1
20Q35.3Very low40.8Very low196 Ų196122.6 Ų122.692%0.91678%0.78SS**  trans-70.3131.8166.9-68.4-177.2-17.700111
21V32.6Very low41.1Very low138 Ų138119.3 Ų119.384%0.83676%0.76SS**  trans-113.2132.2159.8177.10000107.4
22A35.5Very low41.9Very low104 Ų104121.5 Ų121.586%0.8676%0.76SS**SBendtrans-77135.4-176.100000111.6
23G39.6Very low42.3Very low61 Ų61123.6 Ų123.663%0.62976%0.76SS**  trans162.8-15167.300000120.2
24H30.5Very low43.7Very low176 Ų176120.7 Ų120.782%0.81574%0.739SS**  trans-134.3131.4-170.7-59.5-66.8000114.5A26H24-A26 PolarHBondContact O-N 3.36Å
25P44Very low45.7Very low139 Ų139116.8 Ų116.890%0.90372%0.717SS**  trans-81.868.5168.635-33.8000110.4
26A33.7Very low47.6Very low87 Ų87115.1 Ų115.172%0.71970%0.703SS**PPolyproline II helixtrans-77.5143.9172.300000110.7H24H24-A26 PolarHBondContact O-N 3.36Å
27G37.2Very low49.8Very low68 Ų68117.1 Ų117.170%0.70169%0.691SS**PPolyproline II helixtrans-66.8150.9-172.100000114.2T29G27-T29 PolarHBondContact O-N 3.04Å
28S38.9Very low52.2Low94 Ų94119 Ų11966%0.65768%0.681SS**PPolyproline II helixtrans-54.4119.8170.5179.50000110.4Y30S28-Y30 PolarHBondContact O-N 3.39Å
29T44.7Very low54.6Low140 Ų140117.2 Ų117.286%0.85966%0.66SS**  trans-73.773.7174.3540000110G27 S31G27-T29 PolarHBondContact O-N 3.04Å; T29-S31 PolarHBondContact O-N 3.14Å
30Y52.7Low57.1Low136 Ų136115 Ų11553%0.53365%0.648SS.*  trans-58.3132.4166-82.3-91.5000109.1S28 D34S28-Y30 PolarHBondContact O-N 3.39Å; Y30-D34 HydrophobicContact CD1-CB 4Å
31S60.1Low59.2Low49 Ų49110.1 Ų110.134%0.34363%0.628SS.*  trans-64.7150.5171.578.90000109.6T29 Q33 D34 I35T29-S31 PolarHBondContact O-N 3.14Å; S31-Q33 PolarHBondContact O-N 3.16Å; S31-Q33 VanDerWaalsContact O-N 3.16Å; S31-Q33 PolarHBondContact OG-N 3.06Å; S31-D34 PolarHBondContact O-N 3.22Å; S31-D34 VanDerWaalsContact OG-CG 3.26Å; S31-D34 PolarHBondContact OG-N 3.02Å; S31-D34 PolarHBondContact OG-OD2 3.45Å; S31-I35 WeakPolarHBondContact O-CG1 3.18Å; S31-I35 PolarHBondContact O-N 2.86Å
32E62.3Low61.6Low161 Ų161107.5 Ų107.575%0.75261%0.613SS**Hα-helixtrans-58.3-29.6174-63.6-175.8126.800111.5I35 L36E32-I35 PolarHBondContact O-N 3.46Å; E32-L36 WeakPolarHBondContact O-CB 3.38Å; E32-L36 WeakPolarHBondContact O-CD1 3.15Å; E32-L36 WeakPolarHBondContact O-CG 3.45Å; E32-L36 PolarHBondContact O-N 3.05Å
33Q62.2Low63.8Low151 Ų151109.9 Ų109.971%0.70660%0.599SS**Hα-helixtrans-67.1-36.8174-60.9-173.8-1.400112.2S31 R37S31-Q33 PolarHBondContact O-N 3.16Å; S31-Q33 VanDerWaalsContact O-N 3.16Å; S31-Q33 PolarHBondContact OG-N 3.06Å; Q33-R37 WeakPolarHBondContact O-CB 3.49Å; Q33-R37 WeakPolarHBondContact O-CG 3.34Å; Q33-R37 PolarHBondContact O-N 3.45Å
34D77.5Confident65.6Low55 Ų55112.6 Ų112.629%0.29459%0.594SS.*Hα-helixtrans-73.9-35.2173.9-67-56.3000112.2Y30 S31 R37 Q38Y30-D34 HydrophobicContact CD1-CB 4Å; S31-D34 PolarHBondContact O-N 3.22Å; S31-D34 VanDerWaalsContact OG-CG 3.26Å; S31-D34 PolarHBondContact OG-N 3.02Å; S31-D34 PolarHBondContact OG-OD2 3.45Å; D34-R37 PolarHBondContact O-N 2.81Å; D34-R37 IonicContact OD1-CZ 2.95Å; D34-R37 IonicContact OD1-NH1 3.95Å; D34-R37 PolarHBondContact OD1-NH1 3Å; D34-Q38 WeakPolarHBondContact O-CB 3.49Å; D34-Q38 PolarHBondContact O-N 3.36Å
35I81.4Confident67.8Low90 Ų90109.3 Ų109.346%0.46258%0.582SS.*Hα-helixtrans-62.4-45.9171.6-65.6166.8000109.9S31 E32 Q38 E39S31-I35 WeakPolarHBondContact O-CG1 3.18Å; S31-I35 PolarHBondContact O-N 2.86Å; E32-I35 PolarHBondContact O-N 3.46Å; I35-Q38 PolarHBondContact O-N 3.43Å; I35-E39 VanDerWaalsContact O-CB 3.32Å; I35-E39 WeakPolarHBondContact O-CB 3.17Å; I35-E39 PolarHBondContact O-N 3.14Å
36L85.4Confident68.7Low96 Ų96105 Ų10550%0.50356%0.559SS.*Hα-helixtrans-65.7-40.4175.8-72.3166.5000112.2E32 E39 L40E32-L36 WeakPolarHBondContact O-CB 3.38Å; E32-L36 WeakPolarHBondContact O-CD1 3.15Å; E32-L36 WeakPolarHBondContact O-CG 3.45Å; E32-L36 PolarHBondContact O-N 3.05Å; L36-E39 PolarHBondContact O-N 3.14Å; L36-L40 VanDerWaalsContact O-CB 3.3Å; L36-L40 WeakPolarHBondContact O-CB 3.19Å; L36-L40 VanDerWaalsContact O-CG 3.23Å; L36-L40 WeakPolarHBondContact O-CG 3.43Å; L36-L40 PolarHBondContact O-N 3.42Å
37R84.1Confident70Confident172 Ų172103.9 Ų103.965%0.64955%0.545SS*.Hα-helixtrans-62.4-44.1172.5-76.3169.669.5-126.4-0.5111.6Q33 D34 N41Q33-R37 WeakPolarHBondContact O-CB 3.49Å; Q33-R37 WeakPolarHBondContact O-CG 3.34Å; Q33-R37 PolarHBondContact O-N 3.45Å; D34-R37 PolarHBondContact O-N 2.81Å; D34-R37 IonicContact OD1-CZ 2.95Å; D34-R37 IonicContact OD1-NH1 3.95Å; D34-R37 PolarHBondContact OD1-NH1 3Å; R37-N41 WeakPolarHBondContact O-CB 3.36Å; R37-N41 PolarHBondContact O-N 3.33Å
38Q86.1Confident71Confident108 Ų108106 Ų10651%0.50554%0.537SS..Hα-helixtrans-67-40.1178.1-178.5173.3-10.200111.2D34 I35 T42D34-Q38 WeakPolarHBondContact O-CB 3.49Å; D34-Q38 PolarHBondContact O-N 3.36Å; I35-Q38 PolarHBondContact O-N 3.43Å; Q38-T42 VanDerWaalsContact O-CB 3.24Å; Q38-T42 WeakPolarHBondContact O-CB 3.2Å; Q38-T42 PolarHBondContact O-N 3.39Å; Q38-T42 PolarHBondContact O-OG1 3.38Å
39E86.9Confident71.6Confident80 Ų80105.2 Ų105.237%0.37453%0.531SS..Hα-helixtrans-66.5-47.6176-163.5-164.2-17400111.2I35 L36 N41 T42 R43I35-E39 VanDerWaalsContact O-CB 3.32Å; I35-E39 WeakPolarHBondContact O-CB 3.17Å; I35-E39 PolarHBondContact O-N 3.14Å; L36-E39 PolarHBondContact O-N 3.14Å; E39-N41 VanDerWaalsContact C-N 3.34Å; E39-N41 PolarHBondContact O-N 3.35Å; E39-T42 PolarHBondContact O-N 3.18Å; E39-R43 VanDerWaalsContact CD-NE 3.29Å; E39-R43 HydrophobicContact CG-CG 4.38Å; E39-R43 WeakPolarHBondContact O-CB 3.44Å; E39-R43 VanDerWaalsContact O-CG 3.26Å; E39-R43 WeakPolarHBondContact O-CG 3.24Å; E39-R43 PolarHBondContact O-N 2.99Å; E39-R43 IonicContact OE1-CZ 3.21Å; E39-R43 IonicContact OE1-NE 3.84Å; E39-R43 PolarHBondContact OE1-NE 3.13Å; E39-R43 IonicContact OE1-NH2 2.67Å; E39-R43 PolarHBondContact OE1-NH2 3.21Å; E39-R43 IonicContact OE2-NE 2.23Å; E39-R43 IonicContact OE2-NH2 2.88Å
40L88.4Confident72Confident115 Ų115102.3 Ų102.360%0.60252%0.522SS*.Hα-helixtrans-61.6-41.1176.6-72.9171.1000111.8L36 R43 F44L36-L40 VanDerWaalsContact O-CB 3.3Å; L36-L40 WeakPolarHBondContact O-CB 3.19Å; L36-L40 VanDerWaalsContact O-CG 3.23Å; L36-L40 WeakPolarHBondContact O-CG 3.43Å; L36-L40 PolarHBondContact O-N 3.42Å; L40-R43 PolarHBondContact O-N 3.19Å; L40-F44 VanDerWaalsContact O-CB 3.23Å; L40-F44 WeakPolarHBondContact O-CB 3.32Å; L40-F44 PolarHBondContact O-N 3.39Å
41N80.3Confident71.9Confident93 Ų93103.1 Ų103.150%0.49754%0.535SS..Hα-helixtrans-65.8-42.9174.8-167.2-3000111.4R37 E39 F44 L45R37-N41 WeakPolarHBondContact O-CB 3.36Å; R37-N41 PolarHBondContact O-N 3.33Å; E39-N41 VanDerWaalsContact C-N 3.34Å; E39-N41 PolarHBondContact O-N 3.35Å; N41-F44 PolarHBondContact O-N 3.44Å; N41-L45 WeakPolarHBondContact O-CB 3.19Å; N41-L45 WeakPolarHBondContact O-CG 3.16Å; N41-L45 PolarHBondContact O-N 3.47Å
42T82.7Confident71.4Confident83 Ų83111.1 Ų111.151%0.50956%0.558SS.*Hα-helixtrans-62.8-44175.6-58.20000111.5Q38 E39 F44 A46Q38-T42 VanDerWaalsContact O-CB 3.24Å; Q38-T42 WeakPolarHBondContact O-CB 3.2Å; Q38-T42 PolarHBondContact O-N 3.39Å; Q38-T42 PolarHBondContact O-OG1 3.38Å; E39-T42 PolarHBondContact O-N 3.18Å; T42-F44 VanDerWaalsContact C-N 3.34Å; T42-A46 WeakPolarHBondContact O-CB 3.4Å; T42-A46 PolarHBondContact O-N 3.44Å
43R80.4Confident70.8Confident153 Ų153107.5 Ų107.558%0.57756%0.564SS**Hα-helixtrans-64.2-37.4174.5-73.4170.9175-129.511.3111.6E39 L40 S47E39-R43 VanDerWaalsContact CD-NE 3.29Å; E39-R43 HydrophobicContact CG-CG 4.38Å; E39-R43 WeakPolarHBondContact O-CB 3.44Å; E39-R43 VanDerWaalsContact O-CG 3.26Å; E39-R43 WeakPolarHBondContact O-CG 3.24Å; E39-R43 PolarHBondContact O-N 2.99Å; E39-R43 IonicContact OE1-CZ 3.21Å; E39-R43 IonicContact OE1-NE 3.84Å; E39-R43 PolarHBondContact OE1-NE 3.13Å; E39-R43 IonicContact OE1-NH2 2.67Å; E39-R43 PolarHBondContact OE1-NH2 3.21Å; E39-R43 IonicContact OE2-NE 2.23Å; E39-R43 IonicContact OE2-NH2 2.88Å; L40-R43 PolarHBondContact O-N 3.19Å; R43-S47 WeakPolarHBondContact O-CB 3.48Å; R43-S47 PolarHBondContact O-N 2.67Å; R43-S47 PolarHBondContact O-OG 3.16Å
44F77.8Confident69.7Low119 Ų119103.9 Ų103.952%0.52256%0.56SS.*Hα-helixtrans-67.9-48.8176.5-176.5-117.9000111.8L40 N41 T42 A46 S47 Q48L40-F44 VanDerWaalsContact O-CB 3.23Å; L40-F44 WeakPolarHBondContact O-CB 3.32Å; L40-F44 PolarHBondContact O-N 3.39Å; N41-F44 PolarHBondContact O-N 3.44Å; T42-F44 VanDerWaalsContact C-N 3.34Å; F44-A46 PolarHBondContact O-N 2.85Å; F44-S47 WeakPolarHBondContact CA-OG 3.22Å; F44-S47 PolarHBondContact O-N 3.19Å; F44-S47 PolarHBondContact O-OG 2.99Å; F44-Q48 PolarHBondContact O-N 3.39Å
45L77.6Confident68.3Low106 Ų106107.4 Ų107.456%0.55559%0.589SS**Hα-helixtrans-58.1-45.2172.8-74.4163.9000111.7N41 S47 Q48 S49N41-L45 WeakPolarHBondContact O-CB 3.19Å; N41-L45 WeakPolarHBondContact O-CG 3.16Å; N41-L45 PolarHBondContact O-N 3.47Å; L45-S47 PolarHBondContact O-N 3.01Å; L45-Q48 PolarHBondContact O-N 3.2Å; L45-S49 PolarHBondContact O-N 2.64Å
46A62Low66.5Low50 Ų50110.7 Ų110.741%0.41361%0.606SS.*Hα-helixtrans-61.6-41.517500000112T42 F44 Q48 S49 A50T42-A46 WeakPolarHBondContact O-CB 3.4Å; T42-A46 PolarHBondContact O-N 3.44Å; F44-A46 PolarHBondContact O-N 2.85Å; A46-Q48 PolarHBondContact O-N 2.63Å; A46-S49 PolarHBondContact O-N 2.84Å; A46-S49 VanDerWaalsContact O-N 3.13Å; A46-S49 PolarHBondContact O-OG 2.94Å; A46-A50 PolarHBondContact O-N 2.96Å
47S62.4Low64.5Low63 Ų63109.1 Ų109.144%0.44161%0.614SS.*Hα-helixtrans-63.8-38.9177.372.90000112.6R43 F44 L45 S49 A50R43-S47 WeakPolarHBondContact O-CB 3.48Å; R43-S47 PolarHBondContact O-N 2.67Å; R43-S47 PolarHBondContact O-OG 3.16Å; F44-S47 WeakPolarHBondContact CA-OG 3.22Å; F44-S47 PolarHBondContact O-N 3.19Å; F44-S47 PolarHBondContact O-OG 2.99Å; L45-S47 PolarHBondContact O-N 3.01Å; S47-S49 VanDerWaalsContact C-N 3.32Å; S47-S49 PolarHBondContact O-N 3.39Å; S47-A50 WeakPolarHBondContact O-CB 3.31Å; S47-A50 PolarHBondContact O-N 3.47Å
48Q56.6Low62.7Low113 Ų113106.9 Ų106.953%0.52862%0.621SS.*Hα-helixtrans-67.6-31.3172.7-68.8-170.146.100112.8F44 L45 A46 A50F44-Q48 PolarHBondContact O-N 3.39Å; L45-Q48 PolarHBondContact O-N 3.2Å; A46-Q48 PolarHBondContact O-N 2.63Å; Q48-A50 VanDerWaalsContact C-N 3.33Å
49S51.9Low60.8Low76 Ų76106.9 Ų106.953%0.53163%0.631SS.*Hα-helixtrans-71.7-26174.477.30000113.3L45 A46 S47 R52L45-S49 PolarHBondContact O-N 2.64Å; A46-S49 PolarHBondContact O-N 2.84Å; A46-S49 VanDerWaalsContact O-N 3.13Å; A46-S49 PolarHBondContact O-OG 2.94Å; S47-S49 VanDerWaalsContact C-N 3.32Å; S47-S49 PolarHBondContact O-N 3.39Å; S49-R52 PolarHBondContact O-N 2.86Å
50A53.7Low59Low80 Ų80108.9 Ų108.966%0.66165%0.65SS**Hα-helixtrans-70.1-33.417900000113A46 S47 Q48 R52A46-A50 PolarHBondContact O-N 2.96Å; S47-A50 WeakPolarHBondContact O-CB 3.31Å; S47-A50 PolarHBondContact O-N 3.47Å; Q48-A50 VanDerWaalsContact C-N 3.33Å; A50-R52 PolarHBondContact O-N 2.78Å
51D50.4Low56.9Low153 Ų153113.3 Ų113.382%0.81866%0.661SS**THydrogen-bonded Turntrans-77.4-4.1178.5-110.7-44.8000113.9
52R49.1Very low55.3Low216 Ų216116.9 Ų116.982%0.81568%0.679SS**THydrogen-bonded Turntrans-12579170.5-71.6-170.8179.4-176.31.9110.1S49 A50 A54S49-R52 PolarHBondContact O-N 2.86Å; A50-R52 PolarHBondContact O-N 2.78Å; R52-A54 PolarHBondContact O-N 3.33Å
53G50.8Low53.2Low85 Ų85124.8 Ų124.888%0.87670%0.699SS**THydrogen-bonded Turntrans-40.792.6-17100000116
54A38.7Very low51.4Low75 Ų75123.9 Ų123.962%0.6271%0.711SS**  trans-120.7110.6171.300000108.5R52 L56R52-A54 PolarHBondContact O-N 3.33Å; A54-L56 PolarHBondContact O-N 2.91Å
55S48.5Very low49.6Very low129 Ų129125.4 Ų125.490%0.90272%0.72SS**  trans-73.187.5178.5171.30000110.8
56L42.6Very low47.7Very low159 Ų159129 Ų12983%0.83273%0.731SS**  trans-110.7142.9165.5-64.2177.6000109.3A54A54-L56 PolarHBondContact O-N 2.91Å
57G44.5Very low47.2Very low64 Ų64132.6 Ų132.666%0.6674%0.739SS**  trans-72.4176.7-165.700000115.2
58P46Very low46Very low125 Ų125137.5 Ų137.581%0.81276%0.756SS**  trans-58.9146.417526.8-34.9000111.4
59P45.9Very low45.3Very low107 Ų107138.9 Ų138.970%0.69576%0.762SS**  trans-65.8143.4-175.426.7-34.9000112.1Y61P59-Y61 PolarHBondContact O-N 3.4Å
60P48.6Very low44.8Very low122 Ų122143.5 Ų143.579%0.79278%0.775SS**  trans-82.184.8-170.333.4-36.8000112.7
61Y44.3Very low44.4Very low208 Ų208146 Ų14682%0.81677%0.773SS**  trans-128.8154160.7-71-79.1000110.1P59P59-Y61 PolarHBondContact O-N 3.4Å
62L46.4Very low44Very low169 Ų169147.3 Ų147.389%0.88577%0.774SS**  trans71.782.8-163.2-50.9-178.5000114T64L62-T64 PolarHBondContact O-N 3.45Å
63R40Very low43.9Very low248 Ų248143.7 Ų143.794%0.93677%0.766SS**  trans-66.3101.9158.6173.1-172.2-179.9-179.7-0.2108.5E65R63-E65 PolarHBondContact O-N 2.77Å
64T40.6Very low43.5Very low135 Ų135148.6 Ų148.683%0.82877%0.766SS**  trans-64.9125.4164.921.90000109.6L62 F66L62-T64 PolarHBondContact O-N 3.45Å; T64-F66 PolarHBondContact O-N 3.24Å
65E41.3Very low44Very low150 Ų150152 Ų15270%0.70177%0.769SS**  trans-73.9114.3172.457.4-165.3162.600110.2R63 H67R63-E65 PolarHBondContact O-N 2.77Å; E65-H67 PolarHBondContact O-N 3.23Å; E65-H67 VanDerWaalsContact O-N 3.14Å; E65-H67 IonicContact OE2-CE1 2.84Å; E65-H67 PolarHBondContact OE2-CE1 2.83Å
66F38.2Very low43.8Very low182 Ų182152.2 Ų152.280%0.79877%0.765SS**  trans-87.681.4-179.3-164.4-92.7000110.3T64 Q68T64-F66 PolarHBondContact O-N 3.24Å; F66-Q68 HydrophobicContact CD1-CG 3.98Å; F66-Q68 HydrophobicContact CE1-CG 3.82Å; F66-Q68 PolarHBondContact O-N 2.86Å; F66-Q68 VanDerWaalsContact O-N 3.14Å
67H49.6Very low43.9Very low125 Ų125152 Ų15258%0.57976%0.759SS**  trans-68105.3172-76.6103.8000110.3E65 H69E65-H67 PolarHBondContact O-N 3.23Å; E65-H67 VanDerWaalsContact O-N 3.14Å; E65-H67 IonicContact OE2-CE1 2.84Å; E65-H67 PolarHBondContact OE2-CE1 2.83Å; H67-H69 PolarHBondContact O-N 2.67Å; H67-H69 VanDerWaalsContact O-N 3.13Å
68Q38.9Very low43.6Very low167 Ų167158.2 Ų158.278%0.7877%0.771SS**  trans-71.6101.9169.2-77.6-167.933.400110.1F66 Q70F66-Q68 HydrophobicContact CD1-CG 3.98Å; F66-Q68 HydrophobicContact CE1-CG 3.82Å; F66-Q68 PolarHBondContact O-N 2.86Å; F66-Q68 VanDerWaalsContact O-N 3.14Å; Q68-Q70 PolarHBondContact O-N 3.44Å
69H41.9Very low43.5Very low142 Ų142159 Ų15966%0.65776%0.763SS**  trans-83.9103.2162.8-64.2-65.9000109.4H67 H71H67-H69 PolarHBondContact O-N 2.67Å; H67-H69 VanDerWaalsContact O-N 3.13Å; H69-H71 PolarHBondContact O-N 2.88Å
70Q39.9Very low43.3Very low173 Ų173160.7 Ų160.781%0.80877%0.772SS**  trans-74102.7171.6-174.1-169.730.800109.4Q68Q68-Q70 PolarHBondContact O-N 3.44Å
71H47.1Very low42.9Very low133 Ų133162 Ų16262%0.61677%0.767SS**  trans-96.7112.6171.3-65-61.8000110.7H69 H73H69-H71 PolarHBondContact O-N 2.88Å; H71-H73 PolarHBondContact O-N 3.48Å
72Q40.9Very low42.6Very low180 Ų180159 Ų15984%0.84176%0.761SS**  trans-73.9113.7162.2-75.4-173.8-14.400108.8
73H46.9Very low42.4Very low139 Ų139158.8 Ų158.864%0.64476%0.755SS**  trans-97.9107.6170.3-68.2-62.9000109.9H71 H75H71-H73 PolarHBondContact O-N 3.48Å; H73-H75 PolarHBondContact O-N 2.87Å
74Q42.3Very low42Very low188 Ų188152 Ų15288%0.87974%0.741SS**  trans-82.1103.4173-171.7170.813.900109.3T76Q74-T76 PolarHBondContact O-N 3.46Å
75H48.9Very low42Very low148 Ų148154.6 Ų154.669%0.68574%0.741SS**  trans-81.4113.4-179.3-67.8-69.6000111.9H73 H77H73-H75 PolarHBondContact O-N 2.87Å; H75-H77 PolarHBondContact O-N 3.33Å
76T45.3Very low42.1Very low133 Ų133153.1 Ų153.182%0.81674%0.743SS**  trans-85.9102.1169.453.70000110.1Q74 Q78Q74-T76 PolarHBondContact O-N 3.46Å; T76-Q78 PolarHBondContact O-N 3.04Å
77H43.4Very low42.8Very low153 Ų153150.2 Ų150.271%0.70874%0.742SS**  trans-77114.7173.3-71.8-69000111.1H75H75-H77 PolarHBondContact O-N 3.33Å
78Q39.2Very low42.3Very low196 Ų196153.2 Ų153.292%0.91675%0.754SS**  trans-97.4115.1164.5-172.4173.57000108.9T76T76-Q78 PolarHBondContact O-N 3.04Å
79H44.3Very low43.1Very low140 Ų140149.6 Ų149.665%0.64874%0.744SS**  trans-94.9139.2176.3-66.6-83.6000110.8
80T42.1Very low42.9Very low143 Ų143150.8 Ų150.888%0.87775%0.75SS**  trans-127.6144.4163.2178.30000108.2
81H39Very low42.5Very low150 Ų150146.6 Ų146.669%0.69475%0.745SS**  trans-128.9140-159.7-85-74.3000113.7
82Q38.9Very low42.3Very low145 Ų145147.3 Ų147.368%0.67875%0.751SS**  trans65.6161.6165.6-61.8-1604300116.3
83H42.1Very low42.6Very low164 Ų164144.2 Ų144.276%0.75975%0.747SS**  cis-122.7137.18.1-58.6-87.5000109.7
84T32Very low42.7Very low105 Ų105142.6 Ų142.664%0.64475%0.749SS**  6990.966.2-49.40000114.2
85F38.7Very low42.3Very low191 Ų191139.8 Ų139.884%0.83875%0.745SS**  trans-166.3127135.8-131.4-90.6000113.1
86T45.3Very low41.6Very low119 Ų119137.2 Ų137.273%0.7375%0.749SS**  trans-159.6140.9171.450.60000110.9
87P51.5Low41.4Very low120 Ų120139 Ų13978%0.77975%0.752SS**  trans-114139.8152.7-0.622.1000113.3
88F39.4Very low40.9Very low189 Ų189139.8 Ų139.883%0.82976%0.758SS**  trans-86.8-167.9169.9-98.5-74.9000109.5
89P54.8Low41.7Very low90 Ų90135.1 Ų135.158%0.58475%0.745SS**  cis-158-176.229.842.9-18.1000121.9
90H37.9Very low41.4Very low168 Ų168134.8 Ų134.878%0.77875%0.753SS**  trans74149.5160.3-53.3-37.9000118.5
91A32.9Very low41.6Very low84 Ų84133.8 Ų133.869%0.69475%0.748SS**  cis-154.8144.6-3.300000108.7
92I42.9Very low41.5Very low148 Ų148130.9 Ų130.976%0.75975%0.751SS**  69.6133.566.8-63.3171.8000112.4
93P45.8Very low42.5Very low116 Ų116129.6 Ų129.675%0.75376%0.755SS**  cis-129.3-133.7-2.436-10.3000114.7
94P49.7Very low43Very low104 Ų104126.8 Ų126.868%0.67575%0.751SS**  -139.1-150.2-115.947-24000116.3
95T34.4Very low43.2Very low130 Ų130129.7 Ų129.780%0.79876%0.76SS**  trans67.4117167.243.30000117.1
96A33.8Very low43.4Very low94 Ų94128.7 Ų128.778%0.77776%0.755SS**  cis95.211049.300000112.5
97I40.3Very low42.9Very low170 Ų170128.3 Ų128.387%0.87275%0.749SS**  trans-98.3132.2174.8-66169.5000108.3
98M33.8Very low42.2Very low170 Ų170129.9 Ų129.984%0.83774%0.743SS**  trans-99.2157163.9-72.7-127.877.400111.1
99P55.1Low42.2Very low98 Ų98131.4 Ų131.464%0.63675%0.745SS**  trans-107.6-137.3-163.443.4-35.3000112.4
100T38.5Very low42Very low133 Ų133132.4 Ų132.482%0.81675%0.752SS**  trans77.8147176.140.20000117.5
101P46.6Very low42.1Very low121 Ų121131.6 Ų131.679%0.78676%0.758SS**  trans-143.1-157.4-134.143.1-21.5000115.1
102A36.7Very low42.5Very low90 Ų90136.7 Ų136.774%0.74477%0.765SS**  trans110.7152.8151.800000117.8
103P60.6Low42.4Very low118 Ų118136.9 Ų136.977%0.76677%0.773SS**  trans-102.8-158.1-170.145.9-35.6000109.9
104P52.3Low42Very low104 Ų104137.2 Ų137.268%0.67577%0.768SS**  cis-141.8-174.110.435.8-11.2000116.9
105M35.2Very low41.9Very low167 Ų167138.1 Ų138.182%0.82377%0.774SS**  154.7161.9122.6-78.4-157-63.100113.1
106F43.5Very low42.2Very low169 Ų169139.7 Ų139.774%0.74177%0.77SS**  trans-125.7149.7-176.233.9-99.4000108
107D36.2Very low42.4Very low112 Ų112144.4 Ų144.460%0.59977%0.769SS**  trans-179.5132.8141.8-99-18.1000117.5
108K36.1Very low42.4Very low153 Ų153146.8 Ų146.867%0.66577%0.767SS**  trans5599.7130-59.9166.2-175.3123.10123.1
109Y39.3Very low42.6Very low220 Ų220145.7 Ų145.786%0.86376%0.76SS**  66.8-175.3124.8-65.1-67.5000118.9
110P50.1Low41.6Very low112 Ų112145.5 Ų145.573%0.72776%0.761SS**  -139.5146.3-99.938.9-17.2000117.5
111T39.9Very low41.6Very low150 Ų150147.1 Ų147.192%0.9276%0.763SS**  trans-121.6137.4172.5-54.90000112.9
112K42.7Very low41.2Very low192 Ų192150.2 Ų150.284%0.83577%0.765SS**  trans-93.4142.6-174.8-42.9163.4-172.8173.30110.6
113V40.4Very low40.9Very low152 Ų152154.9 Ų154.992%0.92177%0.771SS**  trans-167160.1140.2-99.90000110.9
114D36.6Very low39.5Very low122 Ų122154.5 Ų154.565%0.65277%0.771SS**  trans-99131.6-170.8-178.330.2000112.5F116D114-F116 PolarHBondContact O-N 2.69Å; D114-F116 VanDerWaalsContact OD2-CD2 3.31Å; D114-F116 WeakPolarHBondContact OD2-CD2 3.39Å; D114-F116 WeakPolarHBondContact OD2-CE2 3.23Å
115P47.3Very low38.5Very low124 Ų124159.5 Ų159.581%0.80578%0.778SS**  trans-98.280.5-17237.2-35.3000114.8
116F41.9Very low39Very low162 Ų162156.9 Ų156.971%0.71177%0.774SS**  trans-104.3145.2164.6-77.4-90.1000112.2D114D114-F116 PolarHBondContact O-N 2.69Å; D114-F116 VanDerWaalsContact OD2-CD2 3.31Å; D114-F116 WeakPolarHBondContact OD2-CD2 3.39Å; D114-F116 WeakPolarHBondContact OD2-CE2 3.23Å
117Y37.8Very low39.2Very low193 Ų193154.6 Ų154.676%0.75778%0.776SS**  trans63.4108.9-172.9-69-102.6000114.2H119Y117-H119 AromaticContact CD1-NE2 3.86Å
118R39.3Very low39.6Very low220 Ų220153.9 Ų153.983%0.8379%0.785SS**  80157.365.4-75.8-162.4176.4-143.21.3114.4
119H39.4Very low39.5Very low148 Ų148153.9 Ų153.969%0.68580%0.798SS**  trans42.3107.3168.54350.2000117.9Y117Y117-H119 AromaticContact CD1-NE2 3.86Å
120S32.6Very low39.6Very low94 Ų94149.5 Ų149.566%0.65780%0.799SS**  93.411052.3-176.60000112.7
121L38.2Very low39.5Very low166 Ų166147.2 Ų147.287%0.86980%0.796SS**  trans-124.7103.3175.4-74.5169.2000110
122F38.7Very low39.6Very low186 Ų186147.6 Ų147.682%0.81679%0.791SS**  trans-74.9160.9164.5-77.1-92.2000110.5
123H30.4Very low39.7Very low188 Ų188144.3 Ų144.387%0.8779%0.789SS**  trans-108151.8160.6-78.349.1000109.5
124S31.8Very low39.9Very low110 Ų110142.7 Ų142.777%0.76978%0.782SS**  trans-110.7-178.7-155-166.40000114.4
125Y31.6Very low39.7Very low209 Ų209144.7 Ų144.782%0.8279%0.789SS**  trans119.3143.9157.3-81.8-89.6000116.2
126P45.4Very low39.7Very low113 Ų113146.5 Ų146.573%0.73479%0.79SS**  cis-113.2174.9-27.28.815.3000112.7
127P48.4Very low39.6Very low121 Ų121143.5 Ų143.579%0.78679%0.787SS**  trans-96.6139.6-174.135.9-33.7000116.6
128A43.3Very low40Very low96 Ų96140 Ų14079%0.79379%0.788SS**  trans48.5130.8138.700000123.1
129V34.9Very low40.1Very low154 Ų154136.3 Ų136.393%0.93379%0.79SS**  -122.2152.6127.9-81.50000109
130S41.7Very low40.1Very low128 Ų128132.6 Ų132.690%0.89579%0.792SS**  trans-121.9146.5-169.9-1770000111.9
131G47Very low41.6Very low64 Ų64133.9 Ų133.966%0.6680%0.798SS**  trans122.989.5164.900000115.7
132I41.4Very low41.5Very low158 Ų158136 Ų13681%0.8180%0.801SS**  trans-177.5123.2142.2-92.5148000107.2
133P46.1Very low41.6Very low123 Ų123129.9 Ų129.980%0.79979%0.79SS**  trans-101.4115.9170.533.7-26.5000111.6
134P44.9Very low42Very low118 Ų118126.5 Ų126.577%0.76679%0.787SS**  trans-79.6141.1168.831.1-31.8000111.5
135M32.7Very low42.7Very low164 Ų164128.1 Ų128.181%0.80879%0.787SS**  trans-68.1157.9-172.1-70.2170.95500115.4
136I47Very low43.2Very low162 Ų162127.1 Ų127.183%0.83179%0.79SS**  trans-112.9124153.1-58.8171.8000108.7
137P39.3Very low42.8Very low99 Ų99125.5 Ų125.564%0.64379%0.793SS**  trans-103.8162.3148.931.1-20.3000111.2
138P45.5Very low42.2Very low118 Ų118123.6 Ų123.677%0.76679%0.788SS**  trans-114.4-175.8-132.439.5-32.6000117.1
139T42.8Very low42.1Very low143 Ų143129 Ų12988%0.87779%0.794SS**  trans-50.5136.9178.450.30000116.1
140G38.9Very low42.9Very low70 Ų70130.5 Ų130.572%0.72279%0.79SS**  trans-179.8126.7164.400000113.1
141P62.6Low43.1Very low122 Ų122129.9 Ų129.979%0.79278%0.784SS**  trans-103.6111.4-175.435.6-30.2000114.7
142F37Very low42.5Very low210 Ų210137.1 Ų137.192%0.92180%0.797SS**  trans-144.4152.3159.3-71.9-88.4000108.2
143G41Very low42.7Very low57 Ų57135.6 Ų135.659%0.58880%0.795SS**  cis140.7108.3-4.400000111.3
144S39.3Very low42.4Very low117 Ų117135.2 Ų135.282%0.81880%0.795SS**  trans69.4155.8-176.685.10000115
145L45Very low42.1Very low145 Ų145136.4 Ų136.476%0.75980%0.795SS**  cis-129.6133.82.4-79.8168.1000113.1
146Q43.8Very low42.9Very low188 Ų188134.9 Ų134.988%0.87980%0.798SS**  trans19.4136.6144.3-64.5172.2-40.200123
147G35.5Very low42.6Very low78 Ų78134.2 Ų134.280%0.80479%0.794SS**  trans-152.431174.500000116.6
148A37Very low42.9Very low82 Ų82137.3 Ų137.368%0.67881%0.805SS**SBendtrans66.6157.3172.800000119.9
149F41.4Very low42.9Very low209 Ų209138.9 Ų138.992%0.91781%0.812SS**  trans61.860.4170.2-54.4-69.7000119.5
150Q50.8Low42.4Very low185 Ų185136.6 Ų136.686%0.86481%0.808SS**  trans-93.4144.7151.9-71.6-178.8-64.500111.3
151P45.8Very low42.2Very low116 Ų116137.9 Ų137.975%0.75381%0.811SS**  trans-70.4137.6165.630.7-33.5000110.5T153P151-T153 PolarHBondContact O-N 2.83Å; P151-T153 VanDerWaalsContact O-N 3.1Å
152K35.5Very low40.8Very low216 Ų216143.8 Ų143.894%0.93982%0.818SS**  trans-71.2102-178.1-68.3-178.8178.7179.20111.5
153T45.3Very low40.9Very low126 Ų126140 Ų14077%0.77381%0.814SS**PPolyproline II helixtrans-81.313116152.50000109.8P151P151-T153 PolarHBondContact O-N 2.83Å; P151-T153 VanDerWaalsContact O-N 3.1Å
154S38.7Very low40.8Very low114 Ų114140.8 Ų140.880%0.79782%0.822SS**PPolyproline II helixtrans-65.7138.2178.451.10000112.7
155N39.2Very low40.8Very low144 Ų144142 Ų14277%0.7783%0.825SS**PPolyproline II helixtrans-63.9134.4178.9-66.4-17.1000112.2
156P50.3Low40.3Very low132 Ų132141.3 Ų141.386%0.85783%0.827SS**  trans-97.464.9161.537.2-30.7000110
157I40.3Very low39.9Very low147 Ų147137.3 Ų137.375%0.75482%0.817SS**  trans-138.895.1174.9-113.7167.6000109
158D44.3Very low39.9Very low164 Ų164142.9 Ų142.988%0.87782%0.822SS**  trans-160.556.1165.1-129-16.6000110
159V45.5Very low39.9Very low152 Ų152144.7 Ų144.792%0.92182%0.824SS**  trans-135.480.2172.1-1750000108.3
160A32.8Very low39.8Very low94 Ų94142.4 Ų142.478%0.77782%0.821SS**  trans-97135.5171.300000110.7
161A34.4Very low39.1Very low97 Ų97140.8 Ų140.880%0.80282%0.817SS**  trans49.291.6160.400000119.1
162R34.7Very low39Very low247 Ų247144.4 Ų144.493%0.93282%0.824SS**  -122124.1126.7-80.7-168.1172.4-163.1-2.2108.9
163P38.1Very low38.9Very low130 Ų130142.1 Ų142.184%0.84481%0.814SS**  trans-79.6141.9-179.631.5-33.7000111.7
164G39.5Very low38.2Very low73 Ų73141.6 Ų141.675%0.75381%0.807SS**  trans100.482.1162.900000117.1
165T38.7Very low38.9Very low144 Ų144142.3 Ų142.388%0.88381%0.809SS**  trans-166.9147.9132.6-760000108.7
166V34.3Very low39.3Very low130 Ų130146.4 Ų146.479%0.78881%0.813SS**  trans-75.9133.1-167.8-176.80000112.5
167P36.5Very low39.2Very low103 Ų103148 Ų14867%0.66981%0.814SS**  trans-80.7122.8171.831.6-32.6000111.6T169P167-T169 PolarHBondContact O-N 2.94Å
168H34.3Very low39.5Very low196 Ų196147.8 Ų147.891%0.90782%0.819SS**  trans-82.7102175-124.5-44.9000110.8
169T37.5Very low39.5Very low120 Ų120142.8 Ų142.874%0.73679%0.793SS**  trans-100.3100.2176.354.30000112P167P167-T169 PolarHBondContact O-N 2.94Å
170L39.8Very low40.2Very low161 Ų161141.2 Ų141.284%0.84379%0.786SS**  trans-156.7154.8155.4-142.170.8000111.6
171L35.4Very low41Very low150 Ų150145.6 Ų145.679%0.78579%0.788SS**  trans6361.5175-59.8176000116.8
172Q44.7Very low41.9Very low192 Ų192149.9 Ų149.990%0.89778%0.783SS**  trans-63.9137132-98.6-164.68.300108.6
173K33.2Very low42.8Very low168 Ų168143.9 Ų143.973%0.7378%0.776SS**  trans-151.2134.7161.8-167.3143.8-174.8173.10113.6
174D29.1Very low43.2Very low116 Ų116143.9 Ų143.962%0.6277%0.766SS**  trans52.981.7163.1-57.1-24.3000120R176D174-R176 PolarHBondContact O-N 3.34Å
175P54.2Low43.9Very low129 Ų129149 Ų14984%0.83878%0.775SS**  trans-67.731.4165.5-19.934.2000115.9
176R47Very low45Very low230 Ų230151 Ų15187%0.86877%0.767SS**  trans-139.152.6-163.6-70.1-172.2174.6172-1.1116.5D174D174-R176 PolarHBondContact O-N 3.34Å
177L48.1Very low46.5Very low165 Ų165154 Ų15486%0.86477%0.769SS**  trans-161.167.5148.4-158.867.6000114.2D179L177-D179 PolarHBondContact O-N 2.98Å; L177-D179 VanDerWaalsContact O-N 3.17Å
178T47Very low47.8Very low142 Ų142155 Ų15587%0.87178%0.776SS**  trans-80.193.6163.4490000110.3
179D45.3Very low49.6Very low59 Ų59148.2 Ų148.232%0.31676%0.759SS.*  trans-40.5117168.5176.7-2000112.8L177 F181 R182L177-D179 PolarHBondContact O-N 2.98Å; L177-D179 VanDerWaalsContact O-N 3.17Å; D179-F181 PolarHBondContact O-N 3.34Å; D179-F181 VanDerWaalsContact O-N 3.17Å; D179-F181 PolarHBondContact OD1-N 3.41Å; D179-R182 HydrophobicContact CB-CG 4.13Å; D179-R182 PolarHBondContact O-N 2.87Å; D179-R182 WeakPolarHBondContact OD2-CG 3.39Å; D179-R182 IonicContact OD2-CZ 3.83Å; D179-R182 IonicContact OD2-NE 3.7Å; D179-R182 PolarHBondContact OD2-NE 2.65Å
180P58.8Low51.6Low120 Ų120152.4 Ų152.478%0.77977%0.767SS**THydrogen-bonded Turntrans-62.5-19-179.5-24.234.6000115.1
181F50.9Low54Low186 Ų186153.8 Ų153.882%0.81676%0.761SS**THydrogen-bonded Turntrans-94-4.4-176.5-66.5-80.8000113.6D179 P183D179-F181 PolarHBondContact O-N 3.34Å; D179-F181 VanDerWaalsContact O-N 3.17Å; D179-F181 PolarHBondContact OD1-N 3.41Å; F181-P183 WeakPolarHBondContact O-CD 3.23Å
182R53.8Low56.5Low187 Ų187149.5 Ų149.571%0.70674%0.743SS**SBendtrans-82.2120.1169.3-72.9174.5-166.1-124.6-5.5109.2D179 M184D179-R182 HydrophobicContact CB-CG 4.13Å; D179-R182 PolarHBondContact O-N 2.87Å; D179-R182 WeakPolarHBondContact OD2-CG 3.39Å; D179-R182 IonicContact OD2-CZ 3.83Å; D179-R182 IonicContact OD2-NE 3.7Å; D179-R182 PolarHBondContact OD2-NE 2.65Å; R182-M184 PolarHBondContact O-N 2.83Å
183P51.6Low58.6Low120 Ų120144.4 Ų144.478%0.77973%0.734SS**PPolyproline II helixtrans-54.2119.1160.8-19.632.2000107.3F181 L185F181-P183 WeakPolarHBondContact O-CD 3.23Å; P183-L185 PolarHBondContact O-N 3.09Å
184M47.7Very low61.6Low131 Ų131142.1 Ų142.165%0.64573%0.727SS**PPolyproline II helixtrans-51.2131172-77.2174.7-83.800107.9R182 R186R182-M184 PolarHBondContact O-N 2.83Å; M184-R186 HydrophobicContact CB-CG 3.92Å; M184-R186 PolarHBondContact O-N 2.95Å; M184-R186 PolarHBondContact SD-NE 2.85Å; M184-R186 VanDerWaalsContact SD-NE 3.43Å; M184-R186 PolarHBondContact SD-NH2 3.48Å; M184-R186 VanDerWaalsContact SD-NH2 3.36Å
185L54.7Low64.8Low180 Ų180141.5 Ų141.594%0.94272%0.72SS**  trans-70.160.3167.5-88.6160.1000110.1P183 K187P183-L185 PolarHBondContact O-N 3.09Å; L185-K187 PolarHBondContact O-N 2.77Å; L185-K187 VanDerWaalsContact O-N 3.08Å
186R61.5Low66.8Low185 Ų185139.3 Ų139.370%0.69870%0.704SS**  trans-57.7109161.2-64.8-71.7177.2119.8-6105M184M184-R186 HydrophobicContact CB-CG 3.92Å; M184-R186 PolarHBondContact O-N 2.95Å; M184-R186 PolarHBondContact SD-NE 2.85Å; M184-R186 VanDerWaalsContact SD-NE 3.43Å; M184-R186 PolarHBondContact SD-NH2 3.48Å; M184-R186 VanDerWaalsContact SD-NH2 3.36Å
187K64.7Low69Low194 Ų194132.9 Ų132.984%0.84368%0.684SS**  trans-44.3128.9173.1-62.6179.6-179.2-179.30107.9L185 G189L185-K187 PolarHBondContact O-N 2.77Å; L185-K187 VanDerWaalsContact O-N 3.08Å; K187-G189 PolarHBondContact O-N 3.22Å
188P64.6Low71.4Confident125 Ų125128.4 Ų128.481%0.81266%0.66SS**  trans-48.1120.9-177.6-30.935.9000110.3K190P188-K190 PolarHBondContact O-N 2.7Å
189G73.1Confident73.7Confident53 Ų53124.1 Ų124.155%0.54664%0.639SS.*  trans-57.5131.4-175.800000109.4K187 W191K187-G189 PolarHBondContact O-N 3.22Å; G189-W191 VanDerWaalsContact C-N 3.29Å; G189-W191 PolarHBondContact O-N 2.84Å
190K78.1Confident76.2Confident208 Ų208128.4 Ų128.490%0.90465%0.651SS**  trans-6991.4173.3-71.3-170.6176.6-173.40108.4P188 C192P188-K190 PolarHBondContact O-N 2.7Å; K190-C192 PolarHBondContact O-N 2.69Å
191W90.1Very high78Confident190 Ų190127.2 Ų127.272%0.7264%0.635SS**  trans-60.7115.2171.8-65.887.1000108.5G189 H195 V196G189-W191 VanDerWaalsContact C-N 3.29Å; G189-W191 PolarHBondContact O-N 2.84Å; W191-H195 HydrophobicContact CE3-CB 3.69Å; W191-H195 HydrophobicContact CZ3-CB 4.2Å; W191-V196 HydrophobicContact CB-CG2 4.19Å
192C88.8Confident80.2Confident59 Ų59122.6 Ų122.640%0.39962%0.618SS.*  trans-72.8156.7170.166.20000109.7K190 M194 H195 V196K190-C192 PolarHBondContact O-N 2.69Å; C192-M194 PolarHBondContact O-N 3Å; C192-M194 VanDerWaalsContact O-N 3.1Å; C192-H195 PolarHBondContact O-N 2.85Å; C192-V196 PolarHBondContact O-N 3.47Å
193A89.4Confident82.3Confident86 Ų86120.1 Ų120.171%0.71161%0.609SS**Hα-helixtrans-55.9-31.9-179.200000112.6V196 H197A193-V196 PolarHBondContact O-N 3.42Å; A193-H197 WeakPolarHBondContact O-CB 3.3Å; A193-H197 PolarHBondContact O-N 3.13Å
194M95.9Very high84.4Confident120 Ų120119.1 Ų119.159%0.59159%0.594SS**Hα-helixtrans-62.5-42.6175.3-17261.173.300112.8C192 V196 H197 I198C192-M194 PolarHBondContact O-N 3Å; C192-M194 VanDerWaalsContact O-N 3.1Å; M194-V196 VanDerWaalsContact C-N 3.33Å; M194-V196 PolarHBondContact O-N 3.17Å; M194-H197 PolarHBondContact O-N 3.48Å; M194-I198 HydrophobicContact CG-CD1 3.89Å; M194-I198 WeakPolarHBondContact O-CB 3.27Å; M194-I198 VanDerWaalsContact O-CG1 3.3Å; M194-I198 WeakPolarHBondContact O-CG1 3.14Å; M194-I198 PolarHBondContact O-N 3.41Å; M194-I198 HydrophobicContact SD-CD1 4.2Å; M194-I198 HydrophobicContact SD-CG1 4.43Å
195H95.6Very high86.7Confident102 Ų102118.8 Ų118.847%0.47259%0.591SS.*Hα-helixtrans-66.7-35.9176-64.2166.7000111.9W191 C192 A199W191-H195 HydrophobicContact CE3-CB 3.69Å; W191-H195 HydrophobicContact CZ3-CB 4.2Å; C192-H195 PolarHBondContact O-N 2.85Å; H195-A199 WeakPolarHBondContact O-CB 3.49Å; H195-A199 PolarHBondContact O-N 3.5Å
196V95.4Very high88.6Confident84 Ų84115.8 Ų115.851%0.50957%0.572SS.*Hα-helixtrans-66.4-42.1174.8-177.60000110.8W191 C192 A193 M194 A199 W200W191-V196 HydrophobicContact CB-CG2 4.19Å; C192-V196 PolarHBondContact O-N 3.47Å; A193-V196 PolarHBondContact O-N 3.42Å; M194-V196 VanDerWaalsContact C-N 3.33Å; M194-V196 PolarHBondContact O-N 3.17Å; V196-A199 PolarHBondContact O-N 3.31Å; V196-W200 WeakPolarHBondContact O-CB 3.33Å; V196-W200 PolarHBondContact O-N 3.47Å
197H95Very high90Very high95 Ų95110 Ų11044%0.4455%0.552SS.*Hα-helixtrans-61.7-49.3175.6-174.684.1000112.1A193 M194 A199 W200 Q201A193-H197 WeakPolarHBondContact O-CB 3.3Å; A193-H197 PolarHBondContact O-N 3.13Å; M194-H197 PolarHBondContact O-N 3.48Å; H197-A199 PolarHBondContact O-N 3.26Å; H197-W200 PolarHBondContact O-N 3.04Å; H197-Q201 PolarHBondContact NE2-NE2 3.36Å; H197-Q201 WeakPolarHBondContact O-CG 3.23Å; H197-Q201 PolarHBondContact O-N 3.04Å
198I96.5Very high91.3Very high71 Ų71107.2 Ų107.236%0.36454%0.54SS..Hα-helixtrans-63.4-42.7177.9-67.4166.1000110.9M194 W200 Q201 I202M194-I198 HydrophobicContact CG-CD1 3.89Å; M194-I198 WeakPolarHBondContact O-CB 3.27Å; M194-I198 VanDerWaalsContact O-CG1 3.3Å; M194-I198 WeakPolarHBondContact O-CG1 3.14Å; M194-I198 PolarHBondContact O-N 3.41Å; M194-I198 HydrophobicContact SD-CD1 4.2Å; M194-I198 HydrophobicContact SD-CG1 4.43Å; I198-W200 VanDerWaalsContact C-N 3.33Å; I198-W200 PolarHBondContact O-N 3.29Å; I198-Q201 PolarHBondContact O-N 3.11Å; I198-I202 HydrophobicContact CG2-CD1 3.75Å; I198-I202 HydrophobicContact CG2-CG1 4.41Å; I198-I202 WeakPolarHBondContact O-CB 3.26Å; I198-I202 VanDerWaalsContact O-CG1 3.28Å; I198-I202 WeakPolarHBondContact O-CG1 3.32Å; I198-I202 PolarHBondContact O-N 3.22Å
199A96.9Very high92.4Very high51 Ų51103.9 Ų103.942%0.42152%0.518SS..Hα-helixtrans-61.8-40.4175.500000112.1H195 V196 H197 Y203H195-A199 WeakPolarHBondContact O-CB 3.49Å; H195-A199 PolarHBondContact O-N 3.5Å; V196-A199 PolarHBondContact O-N 3.31Å; H197-A199 PolarHBondContact O-N 3.26Å; A199-Y203 VanDerWaalsContact O-CB 3.27Å; A199-Y203 WeakPolarHBondContact O-CB 3.43Å; A199-Y203 PolarHBondContact O-N 3.06Å
200W97.2Very high92.9Very high149 Ų149107.2 Ų107.256%0.56452%0.517SS*.Hα-helixtrans-65.7-43.5174178.488.8000112.2V196 H197 I198 I202 Y203 H204V196-W200 WeakPolarHBondContact O-CB 3.33Å; V196-W200 PolarHBondContact O-N 3.47Å; H197-W200 PolarHBondContact O-N 3.04Å; I198-W200 VanDerWaalsContact C-N 3.33Å; I198-W200 PolarHBondContact O-N 3.29Å; W200-I202 PolarHBondContact O-N 2.97Å; W200-Y203 PolarHBondContact O-N 3Å; W200-H204 HydrophobicContact CZ2-CB 4.43Å; W200-H204 VanDerWaalsContact O-CB 3.24Å; W200-H204 WeakPolarHBondContact O-CB 3.49Å; W200-H204 PolarHBondContact O-N 2.7Å
201Q97.1Very high92.9Very high95 Ų95104.4 Ų104.444%0.44451%0.505SS..Hα-helixtrans-59.7-46.7175.6-75178.3-39.300111.6H197 I198 H204 H205H197-Q201 PolarHBondContact NE2-NE2 3.36Å; H197-Q201 WeakPolarHBondContact O-CG 3.23Å; H197-Q201 PolarHBondContact O-N 3.04Å; I198-Q201 PolarHBondContact O-N 3.11Å; Q201-H204 PolarHBondContact O-N 2.81Å; Q201-H205 VanDerWaalsContact O-CB 3.27Å; Q201-H205 WeakPolarHBondContact O-CB 3.25Å; Q201-H205 PolarHBondContact O-N 2.89Å
202I96.9Very high92Very high89 Ų8999.4 Ų99.446%0.45649%0.49SS..Hα-helixtrans-62.8-47.2177.2-68.5168.3000110.5I198 W200 H205 Q206I198-I202 HydrophobicContact CG2-CD1 3.75Å; I198-I202 HydrophobicContact CG2-CG1 4.41Å; I198-I202 WeakPolarHBondContact O-CB 3.26Å; I198-I202 VanDerWaalsContact O-CG1 3.28Å; I198-I202 WeakPolarHBondContact O-CG1 3.32Å; I198-I202 PolarHBondContact O-N 3.22Å; W200-I202 PolarHBondContact O-N 2.97Å; I202-H205 PolarHBondContact O-N 3.37Å; I202-Q206 WeakPolarHBondContact O-CB 3.5Å; I202-Q206 VanDerWaalsContact O-CG 3.32Å; I202-Q206 WeakPolarHBondContact O-CG 3.28Å; I202-Q206 PolarHBondContact O-N 2.88Å
203Y96.8Very high90.9Very high135 Ų135104 Ų10453%0.52951%0.507SS..Hα-helixtrans-60.6-47.8177.1174.1-96.1000111.8A199 W200 H205 Q206 Q207A199-Y203 VanDerWaalsContact O-CB 3.27Å; A199-Y203 WeakPolarHBondContact O-CB 3.43Å; A199-Y203 PolarHBondContact O-N 3.06Å; W200-Y203 PolarHBondContact O-N 3Å; Y203-H205 VanDerWaalsContact C-N 3.35Å; Y203-H205 PolarHBondContact O-N 2.85Å; Y203-Q206 PolarHBondContact O-N 3.49Å; Y203-Q207 HydrophobicContact CD1-CG 4.12Å; Y203-Q207 HydrophobicContact CD2-CG 4.49Å; Y203-Q207 HydrophobicContact CE1-CG 3.68Å; Y203-Q207 HydrophobicContact CE2-CG 4.1Å; Y203-Q207 WeakPolarHBondContact O-CG 3.47Å; Y203-Q207 PolarHBondContact O-N 3.11Å; Y203-Q207 PolarHBondContact OH-NE2 3.33Å
204H96.2Very high89.4Confident100 Ų100106.8 Ų106.846%0.46351%0.506SS..Hα-helixtrans-65.5-37.9-179.9-171.9-103.1000111.9W200 Q201 Q207 K208W200-H204 HydrophobicContact CZ2-CB 4.43Å; W200-H204 VanDerWaalsContact O-CB 3.24Å; W200-H204 WeakPolarHBondContact O-CB 3.49Å; W200-H204 PolarHBondContact O-N 2.7Å; Q201-H204 PolarHBondContact O-N 2.81Å; H204-Q207 PolarHBondContact O-N 2.88Å; H204-K208 WeakPolarHBondContact O-CB 3.32Å; H204-K208 PolarHBondContact O-N 3.48Å
205H95.6Very high87.4Confident124 Ų124104.1 Ų104.157%0.57450%0.499SS*.Hα-helixtrans-62.8-46.6171.3-175.890.8000111.5Q201 I202 Y203 Q207 K208 V209Q201-H205 VanDerWaalsContact O-CB 3.27Å; Q201-H205 WeakPolarHBondContact O-CB 3.25Å; Q201-H205 PolarHBondContact O-N 2.89Å; I202-H205 PolarHBondContact O-N 3.37Å; Y203-H205 VanDerWaalsContact C-N 3.35Å; Y203-H205 PolarHBondContact O-N 2.85Å; H205-Q207 VanDerWaalsContact C-N 3.33Å; H205-Q207 PolarHBondContact O-N 3.17Å; H205-K208 PolarHBondContact O-N 3.09Å; H205-K208 VanDerWaalsContact O-N 3.17Å; H205-V209 WeakPolarHBondContact O-CG2 3.18Å; H205-V209 PolarHBondContact O-N 3.09Å
206Q95.1Very high84.8Confident117 Ų117102.2 Ų102.255%0.54749%0.492SS..Hα-helixtrans-61.5-38.5175.1-73.2177.214.900112.3I202 Y203 K210I202-Q206 WeakPolarHBondContact O-CB 3.5Å; I202-Q206 VanDerWaalsContact O-CG 3.32Å; I202-Q206 WeakPolarHBondContact O-CG 3.28Å; I202-Q206 PolarHBondContact O-N 2.88Å; Y203-Q206 PolarHBondContact O-N 3.49Å; Q206-K210 WeakPolarHBondContact O-CB 3.36Å; Q206-K210 PolarHBondContact O-N 3.07Å
207Q91.5Very high82.9Confident62 Ų62103.2 Ų103.229%0.2950%0.5SS..Hα-helixtrans-66.5-39.5173.5-68.9-57.9-29.900111.9Y203 H204 H205 K211Y203-Q207 HydrophobicContact CD1-CG 4.12Å; Y203-Q207 HydrophobicContact CD2-CG 4.49Å; Y203-Q207 HydrophobicContact CE1-CG 3.68Å; Y203-Q207 HydrophobicContact CE2-CG 4.1Å; Y203-Q207 WeakPolarHBondContact O-CG 3.47Å; Y203-Q207 PolarHBondContact O-N 3.11Å; Y203-Q207 PolarHBondContact OH-NE2 3.33Å; H204-Q207 PolarHBondContact O-N 2.88Å; H205-Q207 VanDerWaalsContact C-N 3.33Å; H205-Q207 PolarHBondContact O-N 3.17Å; Q207-K211 VanDerWaalsContact O-CB 3.28Å; Q207-K211 WeakPolarHBondContact O-CB 3.46Å; Q207-K211 VanDerWaalsContact O-CG 3.25Å; Q207-K211 WeakPolarHBondContact O-CG 3.41Å; Q207-K211 PolarHBondContact O-N 3.38Å
208K90.8Very high80.9Confident136 Ų136106.7 Ų106.759%0.59152%0.516SS*.Hα-helixtrans-64.1-48.6175-173.4176.9179.2179.90111.4H204 H205 K211 Q212H204-K208 WeakPolarHBondContact O-CB 3.32Å; H204-K208 PolarHBondContact O-N 3.48Å; H205-K208 PolarHBondContact O-N 3.09Å; H205-K208 VanDerWaalsContact O-N 3.17Å; K208-K211 PolarHBondContact O-N 3.46Å; K208-Q212 WeakPolarHBondContact O-CB 3.42Å; K208-Q212 PolarHBondContact O-N 3.17Å
209V87.8Confident78.5Confident56 Ų56111.3 Ų111.334%0.33953%0.534SS..Hα-helixtrans-62.9-45.4177.1172.90000111H205 K211 Q212 M213H205-V209 WeakPolarHBondContact O-CG2 3.18Å; H205-V209 PolarHBondContact O-N 3.09Å; V209-K211 PolarHBondContact O-N 2.88Å; V209-Q212 PolarHBondContact O-N 3.45Å; V209-M213 HydrophobicContact CG1-CG 4.36Å; V209-M213 HydrophobicContact CG1-SD 4.14Å; V209-M213 WeakPolarHBondContact O-CB 3.4Å; V209-M213 WeakPolarHBondContact O-CG 3.31Å; V209-M213 PolarHBondContact O-N 2.82Å
210K83.7Confident76.2Confident123 Ų123113.2 Ų113.254%0.53554%0.537SS..Hα-helixtrans-61.5-45176.5-174.4-179.2177.9-175.70111.5Q206 Q212 M213 Q214Q206-K210 WeakPolarHBondContact O-CB 3.36Å; Q206-K210 PolarHBondContact O-N 3.07Å; K210-Q212 VanDerWaalsContact C-N 3.34Å; K210-Q212 PolarHBondContact O-N 3.43Å; K210-M213 PolarHBondContact O-N 3.19Å; K210-Q214 VanDerWaalsContact CE-OE1 3.32Å; K210-Q214 WeakPolarHBondContact O-CB 3.33Å; K210-Q214 PolarHBondContact O-N 3.39Å
211K79.3Confident73.8Confident149 Ų149113.2 Ų113.265%0.64855%0.548SS*.Hα-helixtrans-60.9-42.9175-76.6178.8178.3-1730111.3Q207 K208 V209 Q214 S215Q207-K211 VanDerWaalsContact O-CB 3.28Å; Q207-K211 WeakPolarHBondContact O-CB 3.46Å; Q207-K211 VanDerWaalsContact O-CG 3.25Å; Q207-K211 WeakPolarHBondContact O-CG 3.41Å; Q207-K211 PolarHBondContact O-N 3.38Å; K208-K211 PolarHBondContact O-N 3.46Å; V209-K211 PolarHBondContact O-N 2.88Å; K211-Q214 PolarHBondContact O-N 2.86Å; K211-S215 VanDerWaalsContact O-CB 3.27Å; K211-S215 WeakPolarHBondContact O-CB 3.28Å; K211-S215 PolarHBondContact O-N 3.38Å; K211-S215 PolarHBondContact O-OG 3.42Å; K211-S215 VanDerWaalsContact O-OG 3.04Å
212Q70.4Confident71.6Confident84 Ų84115.3 Ų115.339%0.39356%0.555SS.*Hα-helixtrans-68.8-31178.6-174.6175.9-14.100113.8K208 V209 K210 S215K208-Q212 WeakPolarHBondContact O-CB 3.42Å; K208-Q212 PolarHBondContact O-N 3.17Å; V209-Q212 PolarHBondContact O-N 3.45Å; K210-Q212 VanDerWaalsContact C-N 3.34Å; K210-Q212 PolarHBondContact O-N 3.43Å; Q212-S215 WeakPolarHBondContact CA-OG 3.35Å; Q212-S215 PolarHBondContact O-OG 3.21Å; Q212-S215 VanDerWaalsContact O-OG 3.11Å
213M65.9Low69.5Low157 Ų157114.3 Ų114.377%0.77357%0.567SS**Hα-helixtrans-85.6-17.7174.5-67.5-168.877.200113.5V209 K210V209-M213 HydrophobicContact CG1-CG 4.36Å; V209-M213 HydrophobicContact CG1-SD 4.14Å; V209-M213 WeakPolarHBondContact O-CB 3.4Å; V209-M213 WeakPolarHBondContact O-CG 3.31Å; V209-M213 PolarHBondContact O-N 2.82Å; K210-M213 PolarHBondContact O-N 3.19Å
214Q58.9Low67.1Low144 Ų144115.2 Ų115.267%0.67358%0.58SS**Hα-helixtrans-100-14177.3-165.7166.8-2.100112.5K210 K211 D216K210-Q214 VanDerWaalsContact CE-OE1 3.32Å; K210-Q214 WeakPolarHBondContact O-CB 3.33Å; K210-Q214 PolarHBondContact O-N 3.39Å; K211-Q214 PolarHBondContact O-N 2.86Å; Q214-D216 PolarHBondContact O-N 2.82Å
215S52.6Low64.3Low64 Ų64118.5 Ų118.545%0.44859%0.593SS.*SBendtrans-78.492.6166.259.70000110.2K211 Q212K211-S215 VanDerWaalsContact O-CB 3.27Å; K211-S215 WeakPolarHBondContact O-CB 3.28Å; K211-S215 PolarHBondContact O-N 3.38Å; K211-S215 PolarHBondContact O-OG 3.42Å; K211-S215 VanDerWaalsContact O-OG 3.04Å; Q212-S215 WeakPolarHBondContact CA-OG 3.35Å; Q212-S215 PolarHBondContact O-OG 3.21Å; Q212-S215 VanDerWaalsContact O-OG 3.11Å
216D41.8Very low61.9Low61 Ų61117 Ų11733%0.32659%0.594SS.*  trans37.297.1165.8-1696.2000117Q214 H218 K219Q214-D216 PolarHBondContact O-N 2.82Å; D216-H218 PolarHBondContact O-N 3.45Å; D216-H218 WeakPolarHBondContact OD1-CA 3.47Å; D216-H218 VanDerWaalsContact OD1-CB 3.31Å; D216-H218 WeakPolarHBondContact OD1-CB 3.24Å; D216-H218 IonicContact OD1-CD2 2.92Å; D216-H218 PolarHBondContact OD1-CD2 3Å; D216-H218 IonicContact OD1-CG 2.93Å; D216-H218 PolarHBondContact OD1-N 3.36Å; D216-K219 HydrophobicContact CB-CB 4.31Å; D216-K219 PolarHBondContact O-N 2.87Å; D216-K219 VanDerWaalsContact O-N 3.09Å; D216-K219 WeakPolarHBondContact OD2-CD 3.27Å; D216-K219 WeakPolarHBondContact OD2-CE 3.27Å; D216-K219 WeakPolarHBondContact OD2-CG 3.37Å
217P55.7Low59.6Low106 Ų106117.7 Ų117.769%0.68860%0.597SS**THydrogen-bonded Turntrans-63.1-4.4174.428.5-35.1000114.3
218H52.4Low57.4Low168 Ų168123.9 Ų123.978%0.77862%0.624SS**THydrogen-bonded Turntrans-100.44.5175.8-54.1-75.3000114.4D216D216-H218 PolarHBondContact O-N 3.45Å; D216-H218 WeakPolarHBondContact OD1-CA 3.47Å; D216-H218 VanDerWaalsContact OD1-CB 3.31Å; D216-H218 WeakPolarHBondContact OD1-CB 3.24Å; D216-H218 IonicContact OD1-CD2 2.92Å; D216-H218 PolarHBondContact OD1-CD2 3Å; D216-H218 IonicContact OD1-CG 2.93Å; D216-H218 PolarHBondContact OD1-N 3.36Å
219K46.1Very low55.3Low167 Ų167125.4 Ų125.473%0.72664%0.637SS**  trans-126.611.3-179.8-77.6-177.6-166.9-58.90116.6D216 D221D216-K219 HydrophobicContact CB-CB 4.31Å; D216-K219 PolarHBondContact O-N 2.87Å; D216-K219 VanDerWaalsContact O-N 3.09Å; D216-K219 WeakPolarHBondContact OD2-CD 3.27Å; D216-K219 WeakPolarHBondContact OD2-CE 3.27Å; D216-K219 WeakPolarHBondContact OD2-CG 3.37Å; K219-D221 PolarHBondContact O-N 3.05Å
220L48.2Very low53Low92 Ų92127.2 Ų127.248%0.48265%0.652SS.*  trans-8167.8169.4-72.9178.8000112.3F222L220-F222 HydrophobicContact CB-CD2 4.31Å; L220-F222 HydrophobicContact CB-CE2 4.44Å; L220-F222 HydrophobicContact CD1-CE2 4.25Å; L220-F222 HydrophobicContact CD2-CD2 4.37Å; L220-F222 HydrophobicContact CD2-CE2 3.78Å; L220-F222 HydrophobicContact CD2-CZ 4.18Å; L220-F222 HydrophobicContact CG-CE2 4.39Å; L220-F222 PolarHBondContact O-N 3.19Å
221D47.8Very low50.7Low149 Ų149132.1 Ų132.180%0.79767%0.668SS**  trans-72.777158.4-176.117.2000109.6K219 G223K219-D221 PolarHBondContact O-N 3.05Å; D221-G223 PolarHBondContact O-N 3.4Å
222F49.4Very low48.8Very low139 Ų139130.2 Ų130.261%0.6167%0.671SS**  trans-74.6103.4156.9-76.2-64.6000107.2L220 L224L220-F222 HydrophobicContact CB-CD2 4.31Å; L220-F222 HydrophobicContact CB-CE2 4.44Å; L220-F222 HydrophobicContact CD1-CE2 4.25Å; L220-F222 HydrophobicContact CD2-CD2 4.37Å; L220-F222 HydrophobicContact CD2-CE2 3.78Å; L220-F222 HydrophobicContact CD2-CZ 4.18Å; L220-F222 HydrophobicContact CG-CE2 4.39Å; L220-F222 PolarHBondContact O-N 3.19Å; F222-L224 PolarHBondContact O-N 3.44Å
223G52.9Low47.6Very low67 Ų67132.7 Ų132.769%0.69169%0.694SS**  trans-65.251-173.500000116.8D221D221-G223 PolarHBondContact O-N 3.4Å
224L47.3Very low46Very low155 Ų155128.3 Ų128.381%0.81269%0.689SS**  trans-105.594.1166.4-65.1178.5000107.7F222F222-L224 PolarHBondContact O-N 3.44Å
225K36.3Very low45.3Very low168 Ų168127.5 Ų127.573%0.7370%0.696SS**  trans-55.3125.6179.6-71.6-173.8174.4-176.70110.5E227K225-E227 PolarHBondContact O-N 3.29Å
226P46.7Very low44.8Very low93 Ų93129.4 Ų129.460%0.60471%0.709SS**G310 helixtrans-61.5-18.7-178-24.434000115F228 L229P226-F228 VanDerWaalsContact C-N 3.29Å; P226-F228 PolarHBondContact O-N 3.49Å; P226-L229 PolarHBondContact O-N 2.86Å
227E45.9Very low44.6Very low131 Ų131133.1 Ų133.161%0.61273%0.728SS**G310 helixtrans-70.8-16.4-163.5-44.1-38.312800115.3K225 L229K225-E227 PolarHBondContact O-N 3.29Å; E227-L229 VanDerWaalsContact C-N 3.29Å; E227-L229 PolarHBondContact O-N 3.36Å
228F46.1Very low43.7Very low193 Ų193137.8 Ų137.885%0.84674%0.738SS**G310 helixtrans-77.7-7.3-179-82.3-77.6000114.9P226P226-F228 VanDerWaalsContact C-N 3.29Å; P226-F228 PolarHBondContact O-N 3.49Å
229L47Very low42.7Very low167 Ų167133 Ų13387%0.87473%0.734SS**G310 helixtrans-102.3-0.6178.6-64.5177.9000114.1P226 E227P226-L229 PolarHBondContact O-N 2.86Å; E227-L229 VanDerWaalsContact C-N 3.29Å; E227-L229 PolarHBondContact O-N 3.36Å
230S39.1Very low42Very low94 Ų94129.5 Ų129.566%0.65774%0.737SS**SBendtrans-107.410.9-164.3-60.10000115.6
231R36.1Very low41.3Very low227 Ų227131.7 Ų131.786%0.85775%0.748SS**  trans-135.6121.1-179.7-166.1169.6-173.6164.62113.2
232P38.4Very low40.6Very low109 Ų109132 Ų13271%0.70874%0.744SS**  trans-75.5147.4173.131.7-34.3000111.4G234P232-G234 PolarHBondContact O-N 2.79Å
233P45.2Very low39.8Very low136 Ų136132.4 Ų132.488%0.88375%0.747SS**  trans-75.6103.7176.429.6-33000111.3
234G32Very low39.1Very low65 Ų65135.4 Ų135.467%0.6776%0.755SS**  trans-82.7157.3167.900000112.4P232P232-G234 PolarHBondContact O-N 2.79Å
235P44.4Very low38.7Very low127 Ų127134 Ų13483%0.82574%0.743SS**  trans-91.4134.8-162.233.6-35.3000115.8
236S42.6Very low38.3Very low103 Ų103132.9 Ų132.972%0.7275%0.746SS**  trans62.8139.9148-157.80000120.1
237L38.1Very low38.2Very low139 Ų139133.6 Ų133.673%0.72874%0.744SS**  166.8113.1111.8-86.9166.4000112.1
238F35.4Very low37.7Very low205 Ų205130.9 Ų130.990%0.89974%0.744SS**  trans59147.6166.9-62.3-78.2000118.8
239G31.2Very low37.2Very low67 Ų67130.9 Ų130.969%0.69174%0.738SS**  cis-158.1167.61.400000114.3
240A32.7Very low36.6Very low94 Ų94129.6 Ų129.678%0.77774%0.74SS**  trans-65.7173.5177.300000112.5
241I33.6Very low36.4Very low138 Ų138128.6 Ų128.671%0.70873%0.733SS**  cis-148.6167.623.110.5172.9000108.3
242H31.2Very low36.5Very low155 Ų155124.3 Ų124.372%0.71873%0.732SS**  cis-132.9175.711.8-85.6-82.3000111.6
243H33.4Very low36.3Very low148 Ų148126.7 Ų126.769%0.68574%0.738SS**  trans-135.2145.2162.5-48.5-40.5000110.6H245H243-H245 VanDerWaalsContact C-N 3.28Å; H243-H245 AromaticContact CD2-CD2 3.61Å; H243-H245 AromaticContact CD2-NE2 3.88Å; H243-H245 AromaticContact CG-CD2 3.96Å; H243-H245 PolarHBondContact O-N 2.88Å
244P38.3Very low35.7Very low130 Ų130129.5 Ų129.584%0.84474%0.737SS**  trans-75.987.1142.131.7-28000108.9D246P244-D246 PolarHBondContact O-N 3.41Å
245H39Very low35.3Very low124 Ų124132.5 Ų132.557%0.57475%0.748SS**  trans-27.399.8143.8-47.3-74.2000115.5H243 L247H243-H245 VanDerWaalsContact C-N 3.28Å; H243-H245 AromaticContact CD2-CD2 3.61Å; H243-H245 AromaticContact CD2-NE2 3.88Å; H243-H245 AromaticContact CG-CD2 3.96Å; H243-H245 PolarHBondContact O-N 2.88Å; H245-L247 HydrophobicContact CB-CD1 4.35Å
246D28.9Very low34.6Very low146 Ų146130.6 Ų130.678%0.78174%0.743SS**  -135.6149.3120.3-145.8-3.1000112.1P244P244-D246 PolarHBondContact O-N 3.41Å
247L44.3Very low34Very low107 Ų107130.9 Ų130.956%0.5675%0.751SS**  trans-150.8168.1-169.8-86.7165000106.1H245H245-L247 HydrophobicContact CB-CD1 4.35Å
248A33.8Very low33.6Very low75 Ų75128.2 Ų128.262%0.6276%0.757SS**  cis-162.9160.433.600000112.7
249R35.9Very low33.4Very low192 Ų192123.1 Ų123.173%0.72575%0.753SS**  22.9149.2124-51.9173.9179.3173.30.1118.7
250P35.1Very low33.3Very low141 Ų141124.4 Ų124.492%0.91676%0.757SS**  -103125.3121.731.5-31.3000110.9
251S35.3Very low33.3Very low73 Ų73128.4 Ų128.451%0.5176%0.759SS.*  trans-126.5122.6163.553.80000108.5
252T38.4Very low33.5Very low136 Ų136126.9 Ų126.983%0.83476%0.758SS**  trans49.3107.8162.355.30000117.4
253L34.1Very low33.5Very low159 Ų159126.1 Ų126.183%0.83277%0.765SS**SBendtrans-64.4149.5164-68.7170.9000111.2
254F31.6Very low33.3Very low196 Ų196123 Ų12386%0.8677%0.773SS**  trans63.687.2173.1-62.6-76.3000118.1
255S24.7Very low32.9Very low128 Ų128123.4 Ų123.490%0.89577%0.773SS**  -132.5144.9121.4-169.30000108.6
256A28.6Very low33.6Very low87 Ų87122.3 Ų122.372%0.71978%0.777SS**  trans-107.7142.9-168.100000113
257A30.9Very low33.7Very low109 Ų109125.2 Ų125.290%0.90178%0.783SS**  trans44.2109.9157.800000119.3
258G29.1Very low33.1Very low82 Ų82123.5 Ų123.585%0.84579%0.791SS**  trans-141116.2157.300000109.6
259A31.6Very low33.5Very low99 Ų99126.2 Ų126.282%0.81880%0.802SS**  trans-81.5156.1-174.200000112.9
260A28.6Very low33.9Very low93 Ų93122.5 Ų122.577%0.76980%0.803SS**  trans-89.1128.9-177.600000112.9
261H32.3Very low34.5Very low179 Ų179120.2 Ų120.283%0.82979%0.788SS**  trans-141.3149.2161.6-73.2-64.7000110.4
262P39.3Very low34.8Very low105 Ų105125.2 Ų125.268%0.68280%0.803SS**  trans-96.9162.4-170.637.9-36.6000114.8
263T29.6Very low34.5Very low140 Ų140128 Ų12886%0.85981%0.806SS**  trans50.4111.8151.752.20000119.7
264G28.9Very low34.5Very low83 Ų83124.7 Ų124.786%0.85680%0.796SS**  trans176.5112.2163.400000115.6
265T31.2Very low34.8Very low138 Ų138121.2 Ų121.285%0.84779%0.787SS**  trans-111.2172.4164.254.40000109.2
266P52.7Low35.2Very low101 Ų101123.7 Ų123.766%0.65678%0.782SS**  cis-132-163-12.819.48.1000112.5
267F32.5Very low35.5Very low207 Ų207127.5 Ų127.591%0.90879%0.789SS**  trans69.6145.1161.1-75.5-81.2000121.3
268G30.8Very low35.5Very low70 Ų70129.2 Ų129.272%0.72278%0.783SS**  trans111.7135.7143.500000117.7
269P41.8Very low36.7Very low132 Ų132130.9 Ų130.986%0.85778%0.779SS**  trans-109.9-148.717647.7-37.9000111.5
270P44.8Very low36.8Very low114 Ų114130.6 Ų130.674%0.7478%0.777SS**  trans-119.7-152-135.736.7-12.2000112.6
271P47.5Very low37.1Very low93 Ų93131.2 Ų131.260%0.60478%0.782SS**  cis-125.6-173.6-39.419.84.6000113.5
272H41.1Very low37.3Very low179 Ų179130.6 Ų130.683%0.82978%0.779SS**  trans70.2144.2160.7-55.2-70.8000121.2
273H33.8Very low37.1Very low193 Ų193132.1 Ų132.189%0.89478%0.781SS**  trans-169.9177136.454.2-87.6000110.1
274S32.5Very low37.5Very low91 Ų91133.3 Ų133.364%0.63678%0.776SS**  trans-154.5172.9-172.365.90000114
275N38.2Very low38.9Very low123 Ų123133.3 Ų133.366%0.65876%0.761SS**  trans99.5145.9153.9-54.1-16.7000121.9
276F33.5Very low39Very low179 Ų179135.4 Ų135.479%0.78576%0.759SS**  trans98.6105.7137.6-72.2-43.6000124.2
277L35.1Very low38.1Very low168 Ų168136 Ų13688%0.8876%0.756SS**  trans109163.4130-67.8171.3000121.4
278N30.9Very low38.5Very low144 Ų144136.9 Ų136.977%0.7775%0.754SS**  trans-131.3-167.8-151.6-143.913.7000109.1
279P53.9Low39.2Very low117 Ų117138.5 Ų138.576%0.7675%0.752SS**  cis-120-164.114.839.7-18.3000112.8
280A33.3Very low38.9Very low94 Ų94137.4 Ų137.478%0.77775%0.747SS**  cis-150.8-16414.200000112.9
281A35.6Very low38.4Very low105 Ų105138.1 Ų138.187%0.86875%0.749SS**  trans-150.6169-173.500000113.9
282H35.5Very low37.9Very low166 Ų166142.6 Ų142.677%0.76976%0.76SS**  trans-134.3100.1178.1-178.8-73.7000113.9
283L35.8Very low37.7Very low138 Ų138139.3 Ų139.372%0.72375%0.753SS**  trans47.1116.7147.1-52.3179.5000123.5
284E37.2Very low37.8Very low165 Ų165133.6 Ų133.677%0.77175%0.745SS**  68.8159.9129.9-66.5-66.793.400121.9
285P59.3Low38.2Very low82 Ų82137.2 Ų137.253%0.53276%0.757SS.*  -141.9162.6-61.937.6-19000116.8
286F34.2Very low38Very low183 Ų183136.3 Ų136.380%0.80377%0.766SS**  157.4122.6128.4-94.6-68.1000118.9
287N32Very low38.2Very low112 Ų112132 Ų13260%0.59976%0.764SS**  trans48.7109.1144.6-84.4-29.7000126.6
288R42.4Very low38.5Very low226 Ų226130.9 Ų130.985%0.85376%0.764SS**  68.6164.3120-67.4180-167.2-128.6-0.3122.4
289P44.5Very low38.7Very low105 Ų105127.6 Ų127.668%0.68276%0.764SS**  cis-146.2171.8-45.443.1-26.1000117.4
290S35.2Very low37.7Very low109 Ų109125.4 Ų125.476%0.76276%0.762SS**  trans65.8160.8145.3-70.20000121.6
291T34.2Very low37.9Very low128 Ų128128.9 Ų128.979%0.78577%0.768SS**  cis-162.6148.4-2.210.20000114.9
292F38.8Very low37.9Very low188 Ų188127.6 Ų127.683%0.82576%0.757SS**  trans58.8120.8133.7-137.4-115.9000125.9
293T36.6Very low38.1Very low110 Ų110129.8 Ų129.868%0.67577%0.765SS**  trans38.7139.2130.9-42.50000124.7
294G34.4Very low38.2Very low72 Ų72126.6 Ų126.674%0.74277%0.765SS**  trans-166.6136.9154.400000114.2
295L41.6Very low38Very low168 Ų168122.6 Ų122.688%0.8877%0.768SS**  trans-138.5143.9-177.9-88174.7000112.6
296A34.8Very low37.4Very low103 Ų103127.6 Ų127.685%0.85179%0.789SS**  trans55.3-173.6167.400000114.4
297A37.2Very low37.4Very low89 Ų89122.6 Ų122.674%0.73679%0.789SS**  cis-160.2170.6-1.100000107.5
298V42.2Very low37.5Very low145 Ų145124.6 Ų124.688%0.87980%0.8SS**  cis-163.3140.3-17.1115.80000107.1
299G34.6Very low37.3Very low75 Ų75119.7 Ų119.777%0.77380%0.798SS**  128.1162108.700000113.3
300G32.8Very low36.5Very low70 Ų70119.6 Ų119.672%0.72280%0.8SS**  cis175.2-177-4.500000113.4
301N36.4Very low36.6Very low168 Ų168121 Ų12190%0.89880%0.803SS**  trans69.7145.4169.5-70.420.8000118.4
302A36.8Very low36.6Very low77 Ų77120.8 Ų120.864%0.63680%0.802SS**  cis-163169.1-13.200000111.8
303F39.2Very low36.6Very low212 Ų212117 Ų11793%0.9380%0.796SS**  trans63.9144.4176.5-90.7-103.5000117
304G37Very low36.3Very low71 Ų71119.3 Ų119.373%0.73280%0.804SS**  cis137.9104.6-8.800000113.3
305G34Very low36.4Very low81 Ų81121.8 Ų121.884%0.83581%0.81SS**  trans164.1132.3173.500000114
306L47.4Very low36.1Very low187 Ų187122.2 Ų122.298%0.97981%0.81SS**  trans-109.6148170.8-64.4166.8000108.7
307G34Very low36.2Very low78 Ų78127.8 Ų127.880%0.80482%0.815SS**  trans172.1112.8171.100000115.4
308N32.7Very low35.9Very low154 Ų154127.1 Ų127.182%0.82482%0.817SS**  trans-77.9164.7158.4-101.3-39.3000109.6
309P39.1Very low35.3Very low124 Ų124127.9 Ų127.981%0.80581%0.811SS**  -129.6133.2104.635.4-29.6000113.2
310S27.4Very low35.3Very low103 Ų103131.9 Ų131.972%0.7281%0.807SS**  trans-106.6117.1164.9175.90000108.8
311V36.7Very low35.3Very low137 Ų137133.4 Ų133.483%0.8380%0.798SS**  trans-145.6123.9159.9-159.30000108.6
312T34.4Very low35.2Very low124 Ų124128.8 Ų128.876%0.76179%0.791SS**  trans-72.7158.5170.5-0.30000110.5
313P39.6Very low35.3Very low109 Ų109131.7 Ų131.771%0.70880%0.803SS**  -146.4168.663.839-19.4000117.4
314N30.9Very low35.2Very low158 Ų158126.7 Ų126.785%0.84579%0.794SS**  trans39.9104150.1-59.8-1.3000119.9
315S36.3Very low35.4Very low124 Ų124130.1 Ų130.187%0.86780%0.801SS**  trans-147.7140.2138.7-169.20000110.2
316M33.7Very low35.5Very low178 Ų178134.5 Ų134.588%0.87780%0.8SS**  trans-99.9103-173.5-63-164.2-55.800112.1
317F37.8Very low35Very low219 Ų219131.4 Ų131.496%0.96178%0.784SS**  trans173.3132132.9-116.6-112.5000110.4
318G30.4Very low34.9Very low75 Ų75137.5 Ų137.577%0.77379%0.789SS**  trans144.791.2165.700000118.2
319H30.3Very low35.3Very low162 Ų162135.2 Ų135.275%0.7579%0.785SS**  trans-171.6143.8155.8-124.9-1.6000105.3D321H319-D321 IonicContact CE1-OD1 3.1Å; H319-D321 PolarHBondContact CE1-OD1 3.46Å; H319-D321 IonicContact CE1-OD2 2.68Å; H319-D321 IonicContact ND1-OD1 3.6Å; H319-D321 PolarHBondContact ND1-OD1 3.46Å; H319-D321 IonicContact ND1-OD2 3.7Å; H319-D321 IonicContact NE2-OD1 3.71Å; H319-D321 PolarHBondContact NE2-OD1 3.45Å; H319-D321 IonicContact NE2-OD2 3.8Å; H319-D321 PolarHBondContact NE2-OD2 2.9Å
320K34.6Very low34.7Very low158 Ų158136.9 Ų136.969%0.68779%0.787SS**  cis-138.3164.317.6-79.1-70.8-170.9-169.80109.3
321D32.1Very low35.7Very low102 Ų102137.4 Ų137.455%0.54579%0.788SS.*  cis-163.9-156.4-30.4-105.713000106.7H319H319-D321 IonicContact CE1-OD1 3.1Å; H319-D321 PolarHBondContact CE1-OD1 3.46Å; H319-D321 IonicContact CE1-OD2 2.68Å; H319-D321 IonicContact ND1-OD1 3.6Å; H319-D321 PolarHBondContact ND1-OD1 3.46Å; H319-D321 IonicContact ND1-OD2 3.7Å; H319-D321 IonicContact NE2-OD1 3.71Å; H319-D321 PolarHBondContact NE2-OD1 3.45Å; H319-D321 IonicContact NE2-OD2 3.8Å; H319-D321 PolarHBondContact NE2-OD2 2.9Å
322G34.7Very low35.9Very low72 Ų72138.7 Ų138.774%0.74279%0.785SS**  trans-85.4-167.3-178.300000116.4
323P39.5Very low36.2Very low137 Ų137138.8 Ų138.889%0.8978%0.777SS**  cis-119.4175.918.942.2-31.8000116
324S37.3Very low36.7Very low107 Ų107137.9 Ų137.975%0.74877%0.771SS**  trans-99.1138.1175.51760000112.4
325V39.8Very low37.4Very low144 Ų144137.5 Ų137.587%0.87376%0.758SS**  trans-139.1151.8150.1-75.20000109.4
326Q37Very low38.1Very low173 Ų173136.8 Ų136.881%0.80874%0.744SS**  trans-86.9141.8-170.6-74-160.3-300114.5
327N37.1Very low39.1Very low121 Ų121138.4 Ų138.465%0.64774%0.74SS**  trans32.7109.7130.2-176.741.1000118.8
328F31.6Very low39.8Very low206 Ų206134 Ų13490%0.90473%0.726SS**  trans-144.3125.5134.8-85.4-66000111.7
329S40.3Very low40.7Very low107 Ų107139.3 Ų139.375%0.74873%0.73SS**  trans-77.6123.8164.952.90000110.4
330N28.1Very low41.9Very low159 Ų159141.5 Ų141.585%0.8573%0.732SS**  trans-98.7139.3177.8-151.635000111.5
331P48.6Very low42.3Very low114 Ų114140 Ų14074%0.7474%0.736SS**  trans-108.479.2-154.639.9-34000114.8
332H38.9Very low43.2Very low163 Ų163138.9 Ų138.976%0.75574%0.735SS**  trans-150.9106.7166.9-158.6-97.9000113.6
333E42.2Very low44.1Very low127 Ų127142.3 Ų142.359%0.59374%0.744SS**  trans165.572148.7-92.6160-153.300111.6W335 N336E333-W335 PolarHBondContact O-N 2.89Å; E333-N336 HydrophobicContact CB-CB 4.39Å; E333-N336 PolarHBondContact OE2-ND2 3.23Å
334P49.4Very low44.3Very low90 Ų90140.5 Ų140.558%0.58473%0.734SS**SBendtrans-63.4-22.3176.725.8-33.9000113.5
335W46.4Very low44.6Very low150 Ų150143.1 Ų143.157%0.56873%0.733SS**G310 helixtrans-79-33.4-175.1-66.3102.4000114.3E333 R337 L338 S760E333-W335 PolarHBondContact O-N 2.89Å; W335-R337 PolarHBondContact O-N 2.92Å; W335-L338 HydrophobicContact CE3-CD1 4.25Å; W335-L338 HydrophobicContact CZ3-CD1 4.25Å; W335-L338 PolarHBondContact O-N 3.11Å; W335-S760 WeakPolarHBondContact CH2-OG 3.32Å; W335-S760 WeakPolarHBondContact CZ2-OG 3.37Å
336N50.7Low44.8Very low108 Ų108141.9 Ų141.958%0.57873%0.727SS**G310 helixtrans-72.40.7-176-79.7-27000114.5E333E333-N336 HydrophobicContact CB-CB 4.39Å; E333-N336 PolarHBondContact OE2-ND2 3.23Å
337R55Low45.1Very low212 Ų212139.6 Ų139.680%0.873%0.725SS**G310 helixtrans-99-16.6179.4-141177.2-167.3-158.83.4114.6W335 H339W335-R337 PolarHBondContact O-N 2.92Å; R337-H339 PolarHBondContact O-N 3.11Å
338L51.6Low45.7Very low127 Ų127138.6 Ų138.667%0.66573%0.726SS**THydrogen-bonded Turntrans-75.6-19.1-174.1-96.5158.5000114.8W335W335-L338 HydrophobicContact CE3-CD1 4.25Å; W335-L338 HydrophobicContact CZ3-CD1 4.25Å; W335-L338 PolarHBondContact O-N 3.11Å
339H50.5Low46.5Very low186 Ų186134.2 Ų134.286%0.86172%0.718SS**THydrogen-bonded Turntrans-103.810180-67.7-69.3000114.4R337R337-H339 PolarHBondContact O-N 3.11Å
340R54.1Low46.8Very low208 Ų208134.6 Ų134.679%0.78572%0.718SS**SBendtrans-106.9125.5171.4-64.3-171-174.3-131.41.9109.7
341T43.5Very low47.4Very low127 Ų127138.9 Ų138.978%0.77972%0.722SS**  trans-57.4136.6173.345.40000110.8
342P50.2Low46.9Very low78 Ų78141.1 Ų141.151%0.50673%0.727SS.*  trans-64.6150.2177.327.7-34.7000111.1S344P342-S344 PolarHBondContact O-N 2.81Å
343P53.7Low46.7Very low144 Ų144142.5 Ų142.594%0.93573%0.731SS**THydrogen-bonded Turntrans-76.131.5-17334.1-38.6000114
344S44.3Very low46.4Very low99 Ų99142.9 Ų142.969%0.69274%0.744SS**THydrogen-bonded Turntrans-126.23.4-177.355.20000113.8P342P342-S344 PolarHBondContact O-N 2.81Å
345F43.8Very low45.6Very low163 Ų163142.2 Ų142.272%0.71575%0.753SS**SBendtrans-92.8142.3166.3-103.4-103.5000110.6T347F345-T347 PolarHBondContact O-N 2.95Å; F345-T347 VanDerWaalsContact O-N 3.11Å
346P44.1Very low45Very low117 Ų117142 Ų14276%0.7676%0.759SS**  trans-68.8109.8175.428.3-33.3000109.9
347T42.1Very low44.3Very low125 Ų125144.4 Ų144.477%0.76777%0.771SS**PPolyproline II helixtrans-58.2127.8171.2-43.70000108.9F345F345-T347 PolarHBondContact O-N 2.95Å; F345-T347 VanDerWaalsContact O-N 3.11Å
348P50.8Low43.4Very low101 Ų101142.7 Ų142.766%0.65677%0.772SS**PPolyproline II helixtrans-60148169.727.3-34.2000109.2
349P47.5Very low42.6Very low113 Ų113145.9 Ų145.973%0.73478%0.775SS**PPolyproline II helixtrans-52.4130.6-179.2-27.134.9000110.9W351P349-W351 PolarHBondContact O-N 3.39Å
350P48Very low41.8Very low115 Ų115143 Ų14375%0.74778%0.776SS**PPolyproline II helixtrans-61.7123.3178.225.2-32.8000108.7L352P350-L352 PolarHBondContact O-N 3.42Å; P350-L352 VanDerWaalsContact O-N 3.09Å
351W40Very low40.4Very low250 Ų250137.7 Ų137.795%0.94778%0.776SS**PPolyproline II helixtrans-55.7118.8175-90.282.2000109.2P349 K353P349-W351 PolarHBondContact O-N 3.39Å; W351-K353 PolarHBondContact O-N 3.38Å; W351-K353 VanDerWaalsContact O-N 3.11Å
352L38.8Very low39.7Very low161 Ų161137.2 Ų137.284%0.84378%0.778SS**  trans-62.9114.7177-65.6174.7000108.4P350P350-L352 PolarHBondContact O-N 3.42Å; P350-L352 VanDerWaalsContact O-N 3.09Å
353K34.2Very low38.7Very low192 Ų192138.3 Ų138.384%0.83579%0.794SS**PPolyproline II helixtrans-61.8131.4165-66.9-177.2176.6-175.20107.7W351 G355W351-K353 PolarHBondContact O-N 3.38Å; W351-K353 VanDerWaalsContact O-N 3.11Å; K353-G355 PolarHBondContact O-N 3.23Å
354P36.6Very low37.5Very low135 Ų135136.1 Ų136.188%0.87779%0.788SS**PPolyproline II helixtrans-51.5130.3168.7-27.336.4000110.1
355G32.3Very low36.8Very low75 Ų75136.2 Ų136.277%0.77379%0.794SS**PPolyproline II helixtrans-81.3162-150.800000117K353K353-G355 PolarHBondContact O-N 3.23Å
356E32.9Very low36.6Very low147 Ų147136.9 Ų136.969%0.68780%0.799SS**  trans-83.3111.4150.9-178.4-159173.300107.9R359E356-R359 IonicContact OE1-CZ 3.99Å; E356-R359 IonicContact OE1-NH1 3.13Å; E356-R359 PolarHBondContact OE1-NH1 2.93Å; E356-R359 IonicContact OE1-NH2 2.75Å; E356-R359 PolarHBondContact OE1-NH2 3.1Å
357L35.7Very low36Very low157 Ų157136.1 Ų136.182%0.82279%0.789SS**  trans-158.990154.6-171.563.1000110.6
358E36Very low36Very low177 Ų177139.8 Ų139.883%0.82779%0.789SS**  175.7160.2118.2-82.7-133.1122.200110
359R36.4Very low35.3Very low194 Ų194141.4 Ų141.473%0.73279%0.792SS**  trans-128.1133.6177.2-74.5179174.667.612.4109.7E356E356-R359 IonicContact OE1-CZ 3.99Å; E356-R359 IonicContact OE1-NH1 3.13Å; E356-R359 PolarHBondContact OE1-NH1 2.93Å; E356-R359 IonicContact OE1-NH2 2.75Å; E356-R359 PolarHBondContact OE1-NH2 3.1Å
360S31.9Very low35.1Very low126 Ų126145.7 Ų145.788%0.88179%0.793SS**  trans70.4135.4167-51.60000115.2
361A26.3Very low34.8Very low95 Ų95145.8 Ų145.879%0.78579%0.788SS**  cis-156.9-165.6-6.800000107.4
362S28.8Very low35.3Very low118 Ų118139.1 Ų139.183%0.82578%0.775SS**  cis-163.5-164.211.6-158.60000110.5
363A27.7Very low35.6Very low100 Ų100138.6 Ų138.683%0.82677%0.772SS**  trans75.4159.7170.500000117.1
364A28.5Very low36.1Very low99 Ų99137.7 Ų137.782%0.81877%0.769SS**  trans-143.3-177.5-158.100000113.5
365A30.3Very low36.7Very low100 Ų100141.6 Ų141.683%0.82677%0.766SS**  trans72.1150-17000000114.1
366H38.8Very low36.9Very low177 Ų177144.9 Ų144.982%0.81977%0.766SS**  cis-131.1163.29.9-169.5-89000112
367D32.8Very low37.2Very low102 Ų102144.1 Ų144.155%0.54578%0.776SS.*  trans-85.1175.4177-171.337.5000112.8
368R41.5Very low37.4Very low201 Ų201141.4 Ų141.476%0.75877%0.771SS**  trans-8.2135.4166.4-64.9161.3-172.7112.7-5.6118.6
369D36Very low37.8Very low135 Ų135139.4 Ų139.472%0.72277%0.77SS**  trans-146.3151.1131.6-150.8-71.2000110.5
370R42.6Very low37.9Very low203 Ų203136 Ų13677%0.76678%0.776SS**  trans42.387175.2-74.7146-145.8-129.8-4.9120.2V372R370-V372 VanDerWaalsContact C-N 3.28Å; R370-V372 HydrophobicContact CB-CB 4.41Å; R370-V372 HydrophobicContact CB-CG2 3.97Å; R370-V372 HydrophobicContact CG-CB 4.41Å; R370-V372 HydrophobicContact CG-CG2 3.76Å; R370-V372 PolarHBondContact O-N 3.09Å
371D43.6Very low38.2Very low117 Ų117138.4 Ų138.463%0.62677%0.771SS**  trans-77.281.4140.2-165.8-39.9000108.7K374D371-K374 IonicContact OD1-NZ 2.64Å; D371-K374 IonicContact OD2-NZ 3.43Å; D371-K374 PolarHBondContact OD2-NZ 3.19Å
372V48.8Very low39Very low111 Ų111138 Ų13867%0.67376%0.756SS**  trans-143.348-179.8-159.80000112.4R370R370-V372 VanDerWaalsContact C-N 3.28Å; R370-V372 HydrophobicContact CB-CB 4.41Å; R370-V372 HydrophobicContact CB-CG2 3.97Å; R370-V372 HydrophobicContact CG-CB 4.41Å; R370-V372 HydrophobicContact CG-CG2 3.76Å; R370-V372 PolarHBondContact O-N 3.09Å
373D45.2Very low39.7Very low149 Ų149139.7 Ų139.780%0.79776%0.755SS**  trans-153.933.3155-129.2-35.1000115.6R375D373-R375 PolarHBondContact O-N 2.87Å
374K45.3Very low40.6Very low173 Ų173142.9 Ų142.975%0.75275%0.75SS**  trans-79.363.8166-74175.3-175.1146.80110.9D371D371-K374 IonicContact OD1-NZ 2.64Å; D371-K374 IonicContact OD2-NZ 3.43Å; D371-K374 PolarHBondContact OD2-NZ 3.19Å
375R50Low41.6Very low218 Ų218144 Ų14482%0.82374%0.739SS**  trans-142.840.7176.2-149-161.9-63.4-174.11.5116D373D373-R375 PolarHBondContact O-N 2.87Å
376D36.5Very low42.5Very low143 Ų143148.1 Ų148.177%0.76573%0.733SS**  trans-149.5108.8140.7-123.7-38000112.2
377S37.7Very low42.6Very low131 Ų131147 Ų14792%0.91673%0.728SS**  trans-163.744.6179.1-760000111.2
378S40.8Very low43Very low100 Ų100146.2 Ų146.270%0.69973%0.73SS**  trans-129.657.5179.1570000112.8
379V43.6Very low43.2Very low136 Ų136141.6 Ų141.682%0.82472%0.724SS**  trans-136.469166.8124.20000108.8
380S38.8Very low43.6Very low122 Ų122143.1 Ų143.185%0.85373%0.727SS**SBendtrans-163.746.7177.3-160.40000111.3
381K37.9Very low43.9Very low177 Ų177142.5 Ų142.577%0.7773%0.73SS**SBendtrans-135.7-18.9178.3-153.7173.3-178.5-176.50114.1
382D43.6Very low44Very low87 Ų87147.3 Ų147.347%0.46574%0.739SS.*G310 helixtrans-88.2-18.2-165.9-37.9-96000112.2K384 E385D382-K384 PolarHBondContact O-N 3.33Å; D382-E385 VanDerWaalsContact O-CG 3.23Å; D382-E385 WeakPolarHBondContact O-CG 3.37Å
383D43.2Very low43.4Very low152 Ų152150.7 Ų150.781%0.81375%0.748SS**G310 helixtrans-79-6.3175.8-155.743.1000112.6
384K47.4Very low42.7Very low167 Ų167148.5 Ų148.573%0.72674%0.744SS**G310 helixtrans-97.6-14.7-178.1-157.554.7171.8170.10114.4D382D382-K384 PolarHBondContact O-N 3.33Å
385E50Low42Very low122 Ų122145.8 Ų145.857%0.5775%0.747SS**THydrogen-bonded Turntrans-93-29.6179.549.4176-137.700113.2D382 E387 S388D382-E385 VanDerWaalsContact O-CG 3.23Å; D382-E385 WeakPolarHBondContact O-CG 3.37Å; E385-E387 PolarHBondContact O-N 3.28Å; E385-S388 WeakPolarHBondContact O-CB 3.45Å; E385-S388 PolarHBondContact O-N 2.92Å
386R49.5Very low41.3Very low188 Ų188143.5 Ų143.571%0.70975%0.745SS**G310 helixtrans-61.9-36-176.8-115.7-178179.489.70.1114.3S388 V389R386-S388 PolarHBondContact O-N 3.5Å; R386-V389 WeakPolarHBondContact O-CG2 3.41Å
387E40.4Very low41.2Very low153 Ų153142.2 Ų142.272%0.71575%0.745SS**G310 helixtrans-72.6-13.4175.6-161.9-177.6-166.200112.8E385E385-E387 PolarHBondContact O-N 3.28Å
388S39.7Very low40.6Very low85 Ų85141.5 Ų141.559%0.59474%0.739SS**G310 helixtrans-92.7-18.5-174.1-163.90000114.4E385 R386E385-S388 WeakPolarHBondContact O-CB 3.45Å; E385-S388 PolarHBondContact O-N 2.92Å; R386-S388 PolarHBondContact O-N 3.5Å
389V45.7Very low40.4Very low105 Ų105142.3 Ų142.364%0.63674%0.742SS**SBendtrans-84.3-21.3-174-64.80000114.2R386 K391R386-V389 WeakPolarHBondContact O-CG2 3.41Å; V389-K391 PolarHBondContact O-N 3.24Å
390E45.8Very low39.8Very low167 Ų167140.2 Ų140.278%0.7874%0.739SS**THydrogen-bonded Turntrans-77.88.2-170.5-53.5-171.4139.800114.9
391K48.8Very low39.7Very low189 Ų189140.5 Ų140.582%0.82274%0.738SS**THydrogen-bonded Turntrans-134.333-162-129.4164.9-168.8162.50115.8V389V389-K391 PolarHBondContact O-N 3.24Å
392R45.3Very low39.4Very low218 Ų218138.7 Ų138.782%0.82374%0.742SS**  trans-135.532.1178.8-70.9-162.3-173.2168.25.8117.2
393H36.1Very low39Very low183 Ų183142.5 Ų142.585%0.84776%0.761SS**  trans-137.1114.1162.4-45.1-84.8000106.5
394S31.4Very low39Very low103 Ų103140.4 Ų140.472%0.7276%0.756SS**  cis-143.9135.339.2177.30000113.1
395S29.2Very low38Very low116 Ų116138.1 Ų138.181%0.81176%0.756SS**  trans-150.284.6161.262.20000109
396H34.9Very low36.8Very low169 Ų169139.4 Ų139.478%0.78277%0.766SS**PPolyproline II helixtrans-69.3154.6176.4-86.2-85.8000111.8
397P35.1Very low35.7Very low117 Ų117134.3 Ų134.376%0.7676%0.764SS**PPolyproline II helixtrans-80.9151.5-157.331.3-37000114.4
398S25.8Very low35.3Very low115 Ų115134.9 Ų134.980%0.80477%0.772SS**PPolyproline II helixtrans-90.3138.6160.5-167.60000109.5
399P37.1Very low34.6Very low118 Ų118133.6 Ų133.677%0.76677%0.772SS**PPolyproline II helixtrans-76.3141.4-17630.4-35000112.9
400A30.8Very low33.9Very low92 Ų92136.4 Ų136.476%0.7678%0.778SS**PPolyproline II helixtrans-87.8151.7169.200000111.2
401P35.2Very low33.1Very low127 Ų127132.5 Ų132.583%0.82577%0.765SS**PPolyproline II helixtrans-84.4155.1-170.133.7-36.6000114.2
402V33.3Very low32.2Very low140 Ų140134.4 Ų134.485%0.84877%0.767SS**  trans-137.2140.7165.9-85.60000111
403L33.7Very low31.3Very low166 Ų166129 Ų12987%0.86976%0.763SS**  trans-140.9170.7175-64.4178.1000106.5
404P42.9Very low30.8Very low108 Ų108124.9 Ų124.970%0.70176%0.755SS**  cis-134.9-151.99.230.1-4.1000112.9
405V27.6Very low30.7Very low119 Ų119124.7 Ų124.772%0.72175%0.75SS**  trans75.5131.4163.1175.30000115.2
406N25.1Very low30.7Very low149 Ų149125.9 Ų125.980%0.79774%0.742SS**  cis-164.2169.9-11.1-105.81.9000106.2
407A26.8Very low30.4Very low81 Ų81125.5 Ų125.567%0.66974%0.741SS**  cis-172.9-173.8-21.500000107.7
408L30.5Very low30.3Very low166 Ų166127.5 Ų127.587%0.86974%0.743SS**  trans77117.9167.6-149.275000116.3
409G26.5Very low30.6Very low58 Ų58132.5 Ų132.560%0.59875%0.745SS**  cis166.6-170.7-7.800000113.9
410H30.3Very low30.1Very low164 Ų164130.5 Ų130.576%0.75974%0.738SS**  trans82.1133170.7-53.790.5000117.3
411T28.5Very low30Very low85 Ų85133.8 Ų133.852%0.52174%0.737SS.*  cis-161.9161.1-9.140.70000112.5
412R30.6Very low29.7Very low228 Ų228135.2 Ų135.286%0.8674%0.737SS**  trans70.8144.5160.7-24.2-173.8-166.5-91.7-14.4115.1
413S26.3Very low29.4Very low105 Ų105133.8 Ų133.873%0.73473%0.725SS**  cis-148.5141.34.1179.20000108.1
414S24.8Very low29.3Very low97 Ų97132.9 Ų132.968%0.67873%0.726SS**  42.6133.588.1-141.60000115.2
415T29.2Very low28.6Very low99 Ų99135.9 Ų135.961%0.60773%0.731SS**  cis-157.9-176.922.1-29.70000112.7
416E30.3Very low28.9Very low141 Ų141134.5 Ų134.566%0.65973%0.732SS**  trans56.7130.2173.4-81.956-95.700118.8
417Q29.2Very low29.2Very low161 Ų161137.6 Ų137.675%0.75273%0.732SS**  cis99.6144.423.2-68.1-166.651.900116.9
418I32.4Very low29.4Very low158 Ų158139.9 Ų139.981%0.8173%0.729SS**  trans86.6128.9177.7-58.3166.5000114
419R31.4Very low29.4Very low221 Ų221139.4 Ų139.483%0.83472%0.72SS**  cis103.8132.84.5-170.4-178.5-74.5178.2-4.1115.2
420A26.4Very low29.4Very low75 Ų75142.4 Ų142.462%0.6272%0.722SS**  cis-110.8-116.8-10.700000113
421H29.3Very low29.5Very low161 Ų161142.9 Ų142.975%0.74572%0.722SS**  cis-150.5151.37.3-74.6-94000113.5
422L29.7Very low29.9Very low158 Ų158144.6 Ų144.683%0.82774%0.735SS**  trans46.8111.9151-62.2178.5000124
423N25.2Very low29.7Very low110 Ų110143.1 Ų143.159%0.58874%0.735SS**  73.6119.3120.5-157.8-20.3000121.3E425N423-E425 PolarHBondContact OD1-N 3.46Å; N423-E425 VanDerWaalsContact OD1-N 3.15Å
424T32Very low30Very low146 Ų146146.1 Ų146.190%0.89674%0.737SS**  trans-147.6107.7141.7-59.30000109.2
425E28Very low30.4Very low172 Ų172152 Ų15280%0.80475%0.745SS**  trans-108111.7179.7-70.9-176.6125.200112.9N423N423-E425 PolarHBondContact OD1-N 3.46Å; N423-E425 VanDerWaalsContact OD1-N 3.15Å
426A34.3Very low30.4Very low89 Ų89153.9 Ų153.974%0.73675%0.746SS**  trans173.9115.4154.600000106.7
427R31.3Very low30.5Very low214 Ų214156.5 Ų156.581%0.80875%0.75SS**  64.6121.452.5-164173.1-177180-1.3110.9
428E30.4Very low30.5Very low129 Ų129153.5 Ų153.560%0.60374%0.739SS**  cis-139.3148.815-142.7144.1-14400108.1
429K30.5Very low30.3Very low157 Ų157153.5 Ų153.568%0.68374%0.736SS**  45.3145.870.4-97.9176.8145.9-960114.6
430D27.9Very low30.2Very low120 Ų120148.1 Ų148.164%0.64273%0.732SS**  cis-140.6-17231.3-134.7-49.2000117.7
431K32.2Very low30.2Very low174 Ų174152.2 Ų152.276%0.75774%0.738SS**  trans-89.3161.1-167.6-87.8-171.4169.8-172.40115
432P37.1Very low30.1Very low122 Ų122149.2 Ų149.279%0.79274%0.735SS**  trans-77147165.633.8-35000112.1
433K26.7Very low29.9Very low197 Ų197151.3 Ų151.386%0.85773%0.732SS**  trans-155.6130.4155.4-158.7176.2179.2-175.90113.9
434E32.8Very low30.1Very low167 Ų167153.7 Ų153.778%0.7874%0.737SS**  trans-74.4129.1163.7172.3-151.2152.200111
435R31.2Very low29.8Very low222 Ų222153.5 Ų153.584%0.83873%0.73SS**  trans-160152.9136.4-147.7160.1-177.577.40.6113.5
436E29.9Very low30Very low137 Ų137153.2 Ų153.264%0.6473%0.734SS**  trans-89.7144.4-179.2-165.6-168.3145.800112
437R32.7Very low29.6Very low196 Ų196153.4 Ų153.474%0.7474%0.735SS**  trans63.2158.7151.5-85.4177.7179.3122.50.2119.4
438D28.7Very low29.6Very low98 Ų98147.7 Ų147.752%0.52473%0.734SS.*  cis-153.1164.215.7-125.4-27.6000115.5
439H29.1Very low29.7Very low159 Ų159148.7 Ų148.774%0.73674%0.743SS**  trans53.7151.5151.5-60.3-17.9000120.8
440S29.2Very low29.8Very low108 Ų108147.9 Ų147.976%0.75574%0.742SS**  cis-172.3-178.3-11.753.80000106.9
441E26.6Very low30.1Very low161 Ų161149.7 Ų149.775%0.75275%0.746SS**  cis-163.3169.43.2-141.7-63.585.600107.8
442S26Very low30Very low97 Ų97150.7 Ų150.768%0.67875%0.751SS**  trans74.9149.7156-1720000119.2
443R26.7Very low29.7Very low203 Ų203149.2 Ų149.277%0.76675%0.749SS**  cis179.3141.3-35.4177172.7-175.8-1645108.9
444K28.9Very low29.9Very low160 Ų160148.4 Ų148.470%0.69675%0.745SS**  trans71.5111.1165.4-84.5176.2170.4-164.20121
445D26.5Very low29.5Very low141 Ų141148.2 Ų148.275%0.75474%0.744SS**  40.3107.1106.8-53.5-47000120.9
446L31.1Very low29.4Very low167 Ų167141.1 Ų141.187%0.87474%0.74SS**  164.7136.495.4-102163.5000115.8
447A26.2Very low29.3Very low92 Ų92143.2 Ų143.276%0.7675%0.749SS**  trans65.8163.6145.400000122.8
448A31.4Very low29Very low94 Ų94140.8 Ų140.878%0.77775%0.75SS**  trans61.594170.600000117.3
449D31.6Very low29.9Very low151 Ų151141.2 Ų141.281%0.80776%0.758SS**  80.4149.969.5-158.424.7000115.8
450E33Very low29.8Very low140 Ų140142 Ų14265%0.65476%0.762SS**  trans54.1112.1171.8-73.1-165.1163.300123.4
451H33.8Very low29.9Very low158 Ų158144.2 Ų144.273%0.73176%0.758SS**  82.4135.3124.6-67.7-23000125
452K31.3Very low29.9Very low195 Ų195142.1 Ų142.185%0.84875%0.752SS**  trans63.4102.7148.5-87.7-168.9171.6-178.30122.3
453A29.6Very low30.1Very low91 Ų91140.7 Ų140.775%0.75275%0.753SS**  59.4146105.700000122.9
454K31.2Very low30.1Very low180 Ų180139.5 Ų139.578%0.78376%0.756SS**  trans73.1130.9176.4-74.3-177.5164.8-80.10114.6
455E25.7Very low30Very low163 Ų163135.3 Ų135.376%0.76276%0.758SS**  cis93.2129.441.2-176.5-172.3-155.600112.2
456G28.8Very low30.1Very low72 Ų72136.6 Ų136.674%0.74276%0.759SS**  trans106.4106.1-171.400000110.9
457H26.2Very low29.9Very low181 Ų181135.3 Ų135.384%0.83875%0.748SS**  cis103.5136.939.2-165.3-61.4000112
458L27.4Very low30.2Very low145 Ų145134.6 Ų134.676%0.75975%0.75SS**  trans-50.5170.4171-63.8148.5000113
459P47.9Very low30.2Very low108 Ų108140.4 Ų140.470%0.70175%0.752SS**  cis-152.2-156.529.642.3-18.2000117.2
460E25.8Very low30Very low175 Ų175137.9 Ų137.982%0.81875%0.752SS**  trans96.6145.2149-149.2175.914900119.2
461K31.5Very low29.8Very low155 Ų155135.9 Ų135.967%0.67476%0.76SS**  cis-171.2168.3-41.7-167.3177.6165.2-73.60110.1
462D27.7Very low29.5Very low116 Ų116132.1 Ų132.162%0.6276%0.763SS**  trans71.3147.5160-67.8-39.7000121.9
463G29.1Very low29.5Very low67 Ų67132 Ų13269%0.69177%0.766SS**  trans123.865.517000000114.7
464H28.4Very low29.7Very low178 Ų178136.2 Ų136.282%0.82477%0.77SS**  52.7119.783-67.9106.6000116.5
465G25.6Very low30Very low72 Ų72132.2 Ų132.274%0.74277%0.77SS**  trans144.7104.7149.300000119.6
466H28.7Very low30.3Very low169 Ų169132.6 Ų132.678%0.78277%0.769SS**  trans0.3131.8143.5-72.5-88.9000119.7
467E27.6Very low30.6Very low139 Ų139136 Ų13665%0.6577%0.766SS**  94.9130.265.4-168-174.3170.700112.7R469E467-R469 IonicContact OE1-NH1 3.48Å; E467-R469 PolarHBondContact OE1-NH1 2.9Å
468G31Very low30.7Very low77 Ų77134.6 Ų134.679%0.79476%0.764SS**  trans-159141.7174.700000110.7
469R32.5Very low30.8Very low217 Ų217131.3 Ų131.382%0.81976%0.758SS**  trans-131.2169.9-161.3-124.8-179.9178.8120.4-13.6112.6E467E467-R469 IonicContact OE1-NH1 3.48Å; E467-R469 PolarHBondContact OE1-NH1 2.9Å
470A27.2Very low29.7Very low97 Ų97136.8 Ų136.880%0.80276%0.764SS**  trans76.8154.7163.500000117.8
471A28.7Very low30.1Very low99 Ų99134.8 Ų134.882%0.81876%0.764SS**  cis-169.9162.3-2600000110.3
472G27.8Very low30.3Very low78 Ų78133.4 Ų133.480%0.80477%0.771SS**  trans84.3158.2173.400000114.7
473E30.7Very low30.8Very low194 Ų194133 Ų13391%0.90778%0.777SS**  cis-146.1179.1-4.7-147.9-169164.500110.5
474E35.3Very low31.7Very low178 Ų178135.1 Ų135.183%0.83278%0.779SS**  trans-143.2127-156.951.3177.29300115.4
475A35.8Very low31.6Very low97 Ų97137.1 Ų137.180%0.80278%0.78SS**  trans-173.4152.2163.500000112.2
476K33.4Very low31.9Very low170 Ų170140.2 Ų140.274%0.73979%0.785SS**  cis-156.7121.9-23.4-103.2-165.3176.2170.70106.7
477Q33.7Very low31.9Very low144 Ų144143.1 Ų143.167%0.67379%0.789SS**  91.5119.885.5-77.8-177.9-2.300117
478L29.8Very low32.4Very low152 Ų152142.6 Ų142.680%0.79680%0.795SS**  trans59.3163.4136.4-78.183.9000122
479A28.2Very low33Very low76 Ų76144.2 Ų144.263%0.62879%0.791SS**  cis-176.9167.5-32.500000112.8
480R26.6Very low33Very low222 Ų222140.1 Ų140.184%0.83879%0.791SS**  trans66.7114.3154.6-76.6177.2172.3133.4-1.8121.7
481V33.8Very low33.5Very low133 Ų133140.6 Ų140.681%0.80678%0.783SS**  38.3122108179.80000116.8
482P34.4Very low33.7Very low126 Ų126143 Ų14382%0.81878%0.777SS**  -151.7179.174.541.9-22.6000118.7
483S38.1Very low33.7Very low108 Ų108143.4 Ų143.476%0.75577%0.768SS**  trans-113.5141.3166174.90000107.2
484P49Very low33.7Very low111 Ų111137.8 Ų137.872%0.72176%0.755SS**  -161.1172.575.644.7-23.4000120.3
485Y26.5Very low33.6Very low220 Ų220139.7 Ų139.786%0.86375%0.754SS**  trans55123.1144.1-107.3-89.7000124.3
486V31.6Very low34Very low137 Ų137141.1 Ų141.183%0.8376%0.756SS**  trans-145.5136137.8175.30000112
487R29.2Very low33.6Very low231 Ų231140.7 Ų140.787%0.87276%0.761SS**  trans-3.2148.3166.4-62.9-179.2173.7-174.9-3124.2
488T37.6Very low33.3Very low128 Ų128138.1 Ų138.179%0.78576%0.759SS**  trans-86.5173.4155.453.10000112.6
489P43.6Very low33.4Very low110 Ų110137.2 Ų137.271%0.71476%0.76SS**  -146.7149.4109.744.5-30.2000114.2
490V33Very low33.3Very low132 Ų132138.8 Ų138.880%0.877%0.767SS**  81.7129.5108.7163.60000114.9
491V36.3Very low33.2Very low107 Ų107133.7 Ų133.765%0.64877%0.765SS**  cis-164.2145.51.8101.70000113.3
492E33.4Very low33Very low149 Ų149136.6 Ų136.670%0.69676%0.761SS**  trans50.2162.4144-76.5-172.381.500124
493S28.7Very low32.9Very low87 Ų87137.8 Ų137.861%0.60876%0.756SS**  cis-156.2171.2-4.7-126.10000109.7
494A29Very low32.8Very low76 Ų76136.8 Ų136.863%0.62876%0.755SS**  cis-148.3138.9-7.300000108.5
495R34.8Very low32.1Very low217 Ų217139 Ų13982%0.81976%0.755SS**  59137.599.1-59.1-175.8-177.8177.34.3118.1
496P43.3Very low32.8Very low128 Ų128131.9 Ų131.983%0.83174%0.736SS**  trans-85.6146.9158.435.5-32000111.9
497N24.5Very low33.1Very low160 Ų160135.7 Ų135.786%0.85674%0.735SS**  trans-157.8177.9156.3-158.37.8000111.6
498S28.9Very low33.2Very low91 Ų91133.9 Ų133.964%0.63673%0.734SS**  trans-91.2170-158-50.90000116.1
499T30.5Very low32.8Very low132 Ų132131.4 Ų131.481%0.8173%0.734SS**  trans95.1131.6153.371.40000121.3
500S26.6Very low31.9Very low110 Ų110135.2 Ų135.277%0.76974%0.742SS**  trans89.6125.2147.780.40000121.5
501S24.3Very low32.1Very low114 Ų114134.6 Ų134.680%0.79774%0.741SS**  trans79.5114.7135.8-123.50000123.1
502R30.7Very low31.8Very low194 Ų194134.1 Ų134.173%0.73275%0.748SS**  88.8112.2128.1-164.3169.8-173.113128.4120.7
503E30.7Very low31.5Very low151 Ų151137 Ų13771%0.70675%0.754SS**  trans53.7134.2148.1-64.6160.4-177.700119.1
504A35.9Very low31.5Very low88 Ų88140 Ų14073%0.72776%0.758SS**  cis-141144.52.700000108.8
505E34.2Very low31.8Very low157 Ų157143 Ų14373%0.73476%0.764SS**  50.5140.171.1-82.3-70.497.800114.2
506P43Very low32.2Very low70 Ų70137 Ų13746%0.45575%0.753SS.*  cis-132.6-171.6-4227.5-3.9000110.3
507R37.2Very low31.6Very low217 Ų217139.1 Ų139.182%0.81975%0.749SS**  cis-161.6132.647.5-76.6-178172.4117.26.9109
508K31.3Very low32.1Very low193 Ų193140.4 Ų140.484%0.83975%0.747SS**  62.7133.184.7-63.4-171.7178.6-172.70114
509G29.8Very low32.2Very low76 Ų76141.8 Ų141.878%0.78476%0.757SS**  cis-164.5-162.98.400000115.4
510E24.5Very low32.1Very low191 Ų191141.2 Ų141.289%0.89376%0.759SS**  trans-76.8165.6-163.2-90.8-159.4122.900117.5
511P37.6Very low32.4Very low119 Ų119144.9 Ų144.977%0.77376%0.764SS**  trans-86.9169.8176.137.8-37.1000113.6
512A28.5Very low33Very low97 Ų97146.1 Ų146.180%0.80277%0.766SS**  trans-143.6136168.600000112
513Y28.1Very low33.3Very low209 Ų209146.1 Ų146.182%0.8277%0.771SS**  trans34.6101.1160.2-101-94.6000118.6
514E29Very low33.9Very low149 Ų149146.2 Ų146.270%0.69678%0.782SS**  92.2127.663.3-172.2169.2-135.500114.6
515N34.1Very low34.1Very low140 Ų140151.2 Ų151.275%0.74979%0.787SS**  trans-26.9166.7167.4-103.3-57000118.9
516P43.5Very low34.7Very low92 Ų92152.5 Ų152.560%0.59779%0.793SS**  cis-145.715610.836.9-15.8000119.7
517K31.5Very low34.6Very low171 Ų171156 Ų15674%0.74380%0.803SS**  164.3113114.8-87.4151.8-169.4163.50114.9
518K35.1Very low34.5Very low187 Ų187155.5 Ų155.581%0.81380%0.801SS**  trans68.9141.9138.8-55.2178.6-177.4-175.40120.5
519S30.8Very low35Very low120 Ų120154.2 Ų154.284%0.83980%0.796SS**  trans52.596162.845.30000117.8
520S28.1Very low35.4Very low121 Ų121157.5 Ų157.585%0.84679%0.791SS**PPolyproline II helixtrans-79.1121.8170.253.70000112.8
521E31.8Very low35.9Very low187 Ų187154.9 Ų154.987%0.87478%0.783SS**PPolyproline II helixtrans-85.9154.1163.5-169163.9-168.600110.9
522V38.5Very low35.9Very low139 Ų139156 Ų15684%0.84278%0.777SS**PPolyproline II helixtrans-85.5130.9-172.4176.90000111.4
523K36.6Very low36Very low194 Ų194157.8 Ų157.884%0.84377%0.774SS**PPolyproline II helixtrans-68132-175.2-60.2172-178.7173.90113.3
524V43.1Very low36.3Very low154 Ų154154.5 Ų154.593%0.93377%0.77SS**  trans-124.2148.2136.6-1780000107.1
525K40Very low36.6Very low193 Ų193152.8 Ų152.884%0.83977%0.771SS**  trans-127.2113.3-158.5172.5-152.9167.7-1700112.4
526E46.5Very low37.3Very low184 Ų184152.2 Ų152.286%0.8678%0.775SS**  trans-159.593.7146.5-145.8166.915200108.1
527E42.3Very low36.5Very low142 Ų142157.1 Ų157.166%0.66479%0.79SS**  88.3135.3100.3-145.5-143.4105.400115
528R34.8Very low36.4Very low207 Ų207152.9 Ų152.978%0.78179%0.787SS**  trans87.274.5152.8-134.4175.9-16891.4-2.1120.9
529K41.6Very low36.8Very low166 Ų166149.2 Ų149.272%0.72278%0.782SS**  74.599.5124.6-165.6174.4-177.7-168.60118.3D531K529-D531 WeakPolarHBondContact CE-OD2 3.39Å; K529-D531 IonicContact NZ-OD2 3.15Å; K529-D531 PolarHBondContact NZ-OD2 3.28Å
530E38.6Very low36.9Very low146 Ų146151.5 Ų151.568%0.68278%0.78SS**  trans-70.6156.9149.1174.3175.5-133.200112.3H532E530-H532 HydrophobicContact CG-CB 4.19Å; E530-H532 IonicContact OE1-CD2 2.7Å; E530-H532 PolarHBondContact OE1-CD2 2.92Å; E530-H532 VanDerWaalsContact OE1-CD2 3.26Å
531D33.5Very low36.9Very low135 Ų135149.9 Ų149.972%0.72277%0.765SS**  trans-147.6140155-114.5-47.7000106.7K529K529-D531 WeakPolarHBondContact CE-OD2 3.39Å; K529-D531 IonicContact NZ-OD2 3.15Å; K529-D531 PolarHBondContact NZ-OD2 3.28Å
532H37.6Very low36.8Very low142 Ų142148.9 Ų148.966%0.65776%0.76SS**  trans-150.9141.9-154.4-158.5-10.7000109.7E530E530-H532 HydrophobicContact CG-CB 4.19Å; E530-H532 IonicContact OE1-CD2 2.7Å; E530-H532 PolarHBondContact OE1-CD2 2.92Å; E530-H532 VanDerWaalsContact OE1-CD2 3.26Å
533D30.3Very low36.2Very low136 Ų136152.9 Ų152.973%0.72776%0.76SS**  trans-170.6125.9149.1-120-152.2000116.9
534L34.2Very low35.7Very low140 Ų140147.8 Ų147.873%0.73375%0.754SS**  trans58-179.2140.8-54.8179.9000120.7
535P37.2Very low34.9Very low112 Ų112146.1 Ų146.173%0.72775%0.749SS**  -129.6-179.5-78.441.9-26.3000114.1
536P48.7Very low34.3Very low128 Ų128145.8 Ų145.883%0.83175%0.75SS**  trans-103.9157.1-167.538.7-34.3000116.8
537E25.6Very low34.4Very low196 Ų196141.6 Ų141.692%0.91674%0.739SS**  trans-150.3160.9164-146.4-168.212300113
538A28.8Very low35Very low81 Ų81140.1 Ų140.167%0.66974%0.742SS**  trans-164.1166.9172.500000107.6
539P45.2Very low35.9Very low111 Ų111135.6 Ų135.672%0.72174%0.739SS**  cis-143.9-144.619.337-11.6000114.5
540Q31.5Very low36.6Very low168 Ų168132.7 Ų132.779%0.78574%0.738SS**  trans88148.2163-56.2-16016.900118.5
541T28Very low35.8Very low87 Ų87133.5 Ų133.553%0.53475%0.747SS.*  cis-165.8170.1-9.324.70000113.9
542H29.4Very low35.7Very low165 Ų165132.8 Ų132.876%0.76475%0.752SS**  trans87.1154.8153.1-50.3-57.2000121.7
543R27.4Very low35.4Very low223 Ų223131.4 Ų131.484%0.84276%0.758SS**  cis-176.6119.9-37.2178172.5-175.5163.83.6113.7
544A26.2Very low35.4Very low87 Ų87129.7 Ų129.772%0.71976%0.757SS**  trans51.1177.7150.800000119.8
545S26.3Very low35.1Very low120 Ų120128 Ų12884%0.83976%0.757SS**  cis-149.7-168.67.8-400000112.4
546E26.6Very low34.7Very low185 Ų185128.8 Ų128.886%0.86476%0.76SS**  trans-114-151.1-163.6-143.3-161.6104.500115.5
547P48.9Very low34.1Very low96 Ų96131.3 Ų131.362%0.62376%0.76SS**  trans-120.1-142.1-141.544.1-21.5000112.8
548P55.3Low34.9Very low111 Ų111128.3 Ų128.372%0.72176%0.758SS**  cis-124.3-127.3-20.732.5-6.8000110.3
549P52.8Low34.9Very low112 Ų112127.9 Ų127.973%0.72776%0.761SS**  cis-124.1-99.3-25.923.43.6000119
550P55.5Low35.7Very low106 Ų106128.5 Ų128.569%0.68877%0.765SS**  trans-141.6161-132.343.9-23.7000121.5
551N23.5Very low35.7Very low163 Ų163129.3 Ų129.387%0.87277%0.774SS**  trans-177.9176.5134.451.126.1000114.1
552S30.1Very low35.9Very low119 Ų119130.1 Ų130.183%0.83279%0.789SS**  trans-140.8-175.8-165.9-46.60000111.1
553S32.2Very low35.7Very low113 Ų113127.6 Ų127.679%0.7979%0.79SS**  cis-166.6-158.519.254.60000108.7
554S29.3Very low35.9Very low101 Ų101125 Ų12571%0.70679%0.79SS**  cis-167.51704.160.60000112
555S27.6Very low36.7Very low103 Ų103125.7 Ų125.772%0.7279%0.786SS**  trans71.3161.1146.1-134.40000119.8
556V29.9Very low37Very low130 Ų130128.4 Ų128.479%0.78879%0.788SS**  cis-147.6168.212.6-148.20000111.8
557H35.1Very low37.1Very low180 Ų180125.2 Ų125.283%0.83378%0.781SS**  trans-120.7157.2161.2-76.6-80.5000111.5
558P43.3Very low36.6Very low134 Ų134127.5 Ų127.587%0.8779%0.793SS**  -145.1-175120.638.8-23.8000114.4
559G27.7Very low35.7Very low72 Ų72125.1 Ų125.174%0.74279%0.789SS**  trans-121.3-129.6-172.500000117
560P62.6Low34.5Very low123 Ų123126 Ų12680%0.79979%0.792SS**  -127.4162.1-120.740.4-27.3000117.1
561L31.7Very low33.4Very low186 Ų186127.3 Ų127.397%0.97480%0.798SS**  trans-152170.6157.6-83.3-169.7000111.4
562A31.6Very low33.7Very low103 Ų103122.5 Ų122.585%0.85179%0.787SS**  trans-133.7154.5-169.600000114.3
563S26.6Very low33.9Very low113 Ų113124.8 Ų124.879%0.7979%0.788SS**  trans-161.7168.2155.9-161.70000112.1
564M30.2Very low34.2Very low169 Ų169127.9 Ų127.983%0.83379%0.79SS**  trans-139.4178.8-176.7-79.4-75.1156.200108.5
565P44.7Very low35.1Very low100 Ų100128.4 Ų128.465%0.64979%0.791SS**  cis-127.3170.2-36.935.8-21.7000112.3
566M31.3Very low35.1Very low178 Ų178131.1 Ų131.188%0.87779%0.794SS**  trans-150.898.7147.5-91.4-50.9173.500112.8
567T28.5Very low35.1Very low118 Ų118131.1 Ų131.172%0.72479%0.79SS**  trans5.5117.8144.855.80000121
568V39.7Very low34.9Very low143 Ų143126.7 Ų126.787%0.86778%0.779SS**  -133.7133.8127-177.10000107
569G35Very low34.7Very low62 Ų62128.6 Ų128.664%0.63978%0.78SS**  trans-77157.1-174.800000114.1
570V29.6Very low34.9Very low130 Ų130130.5 Ų130.579%0.78878%0.782SS**  cis66116.627.3-177.80000111.1
571T30.7Very low33.7Very low134 Ų134130.2 Ų130.282%0.82278%0.783SS**  cis-161.7166.50.311.20000111.4
572G30.5Very low34.1Very low62 Ų62128.2 Ų128.264%0.63977%0.773SS**  trans163.2107.2151.900000112.1
573I33.4Very low34.2Very low166 Ų166129 Ų12985%0.85176%0.762SS**  60.5127.873.686.9-177000115.3
574H40.4Very low34.7Very low179 Ų179135.5 Ų135.583%0.82977%0.77SS**  trans-67.4173175.2-40.5-79000111.4
575P47.6Very low34.9Very low112 Ų112131.2 Ų131.273%0.72775%0.753SS**  cis-144.7-149.215.937.2-11.9000114.7
576M27.6Very low34.6Very low159 Ų159136.2 Ų136.278%0.78376%0.759SS**  trans89.9113.3151.7-86-177.774.700122.8
577N28.6Very low34.5Very low131 Ų131136.4 Ų136.470%0.70176%0.76SS**  90.3139.9119.1-152.526.3000121.7
578S32.4Very low34.6Very low86 Ų86138.9 Ų138.960%0.60177%0.765SS**  trans27.6116.5154.363.60000121.2
579I38.3Very low34.6Very low174 Ų174138.1 Ų138.189%0.89276%0.761SS**  trans-134.8122.113231.3173.1000109.7
580S32.8Very low35.4Very low113 Ų113141.5 Ų141.579%0.7977%0.772SS**  trans-94.9140167.2-175.30000108.4
581S37Very low36.1Very low117 Ų117145 Ų14582%0.81878%0.777SS**  trans-140.7140.1172.551.10000111.1
582L38.8Very low36.2Very low144 Ų144147.2 Ų147.275%0.75478%0.78SS**  trans-83.1159.7-155.4-95.961.4000115.8
583D34.4Very low36.5Very low119 Ų119147 Ų14764%0.63678%0.778SS**  trans45119.1143.8-72.4-64.1000121.8T585D583-T585 PolarHBondContact OD1-OG1 2.7Å
584R38.2Very low36.4Very low249 Ų249147.6 Ų147.694%0.9478%0.781SS**  -152.160.5124.1-118.2168-173.2151.33.7116
585T34Very low35.8Very low79 Ų79144.3 Ų144.349%0.48578%0.778SS.*  47111.1117.1-51.10000120.3D583D583-T585 PolarHBondContact OD1-OG1 2.7Å
586R37.8Very low35.6Very low206 Ų206145 Ų14578%0.77778%0.782SS**  trans74.8152.8157.9-61.7168.5-149.9-87-2.6115.7
587M29.4Very low36.1Very low182 Ų182145.2 Ų145.290%0.89779%0.786SS**  cis-116.9168.821.5-62.5-71-171.500115.1
588M30.9Very low36.6Very low169 Ų169145 Ų14583%0.83379%0.792SS**  trans-99.1159.6-174.8-74.2155.952.400114.2
589T39.7Very low36.5Very low128 Ų128145 Ų14579%0.78581%0.805SS**  trans-74.9164.6157.952.10000111.2
590P51.8Low36.3Very low132 Ų132140.3 Ų140.386%0.85780%0.8SS**  -147.3-167.710039.2-21.8000114.8
591F43.8Very low36.3Very low204 Ų204142.6 Ų142.690%0.89580%0.798SS**  trans-136.2133.9-162.1-174.2-78.3000111
592M32.8Very low36.2Very low181 Ų181146 Ų14689%0.89279%0.793SS**  trans-155.4159.1174.8-66.4-175.371.600109.7
593G35.7Very low35.9Very low58 Ų58148 Ų14860%0.59880%0.796SS**  cis150.9119.1-8.900000114.4
594I32Very low36.1Very low177 Ų177147.3 Ų147.391%0.90880%0.798SS**  trans66.8174162.171.6166.3000121.1
595S28.5Very low35.7Very low110 Ų110146.1 Ų146.177%0.76980%0.795SS**  trans-115.5-149.9-159-39.50000112.1
596P43.6Very low35.8Very low126 Ų126147.2 Ų147.282%0.81880%0.804SS**  -114.1-165.6-55.637.7-22.7000113.2
597L36.5Very low35.5Very low165 Ų165142.2 Ų142.286%0.86480%0.801SS**  trans-64.2156.5-175.1-66168.6000116.3
598P39.3Very low35.8Very low126 Ų126143.3 Ų143.382%0.81880%0.801SS**  -150.2139.8107.637.1-20.5000117.9
599G31.6Very low36.3Very low85 Ų85142.2 Ų142.288%0.87679%0.793SS**  trans68.8146.4152.600000120.7
600G33.2Very low36.3Very low77 Ų77147.3 Ų147.379%0.79480%0.798SS**  cis142.883.7-20.800000117.3
601E32.2Very low35.7Very low160 Ų160144.2 Ų144.275%0.74878%0.775SS**  trans-141.8140.6161.7-78-141.3129.400113.8
602R35.4Very low36.1Very low190 Ų190140.3 Ų140.372%0.71777%0.77SS**  trans15.7137.4147.8-61.3166.5-177.9143.3-5.4119
603F33.2Very low37.1Very low184 Ų184138.9 Ų138.981%0.80776%0.764SS**  cis-155.3-169.98.6-120.4-38.6000110.5
604P38Very low37.7Very low106 Ų106145.7 Ų145.769%0.68877%0.772SS**  trans-95.1157.7-135.939.7-35.8000116.9
605Y30Very low38.3Very low223 Ų223141.9 Ų141.988%0.87575%0.753SS**  trans-120.4156.3150.1-111.3-112000109.1
606P36Very low39.6Very low103 Ų103142.6 Ų142.667%0.66976%0.755SS**  trans-81.2128.3-155.830.1-34.8000114.2F608P606-F608 PolarHBondContact O-N 3.21Å
607S31.7Very low40.2Very low101 Ų101144.1 Ų144.171%0.70676%0.756SS**  trans-73.9118.2164.6-55.30000110.2H609S607-H609 PolarHBondContact O-N 3.03Å; S607-H609 PolarHBondContact O-ND1 2.83Å
608F35.7Very low41Very low204 Ų204146 Ų14690%0.89575%0.751SS**  trans-66.686.2164.2-86.8-90.6000109.5P606P606-F608 PolarHBondContact O-N 3.21Å
609H40.8Very low41.3Very low147 Ų147144 Ų14468%0.68173%0.734SS**  trans-84.1124.717356-75.5000108.8S607 D611S607-H609 PolarHBondContact O-N 3.03Å; S607-H609 PolarHBondContact O-ND1 2.83Å; H609-D611 PolarHBondContact O-N 2.95Å
610W40.9Very low42.1Very low234 Ų234145.4 Ų145.489%0.88673%0.727SS**  trans-8484.5169.647.1-84.1000107.9
611D37.9Very low42.7Very low68 Ų68150.7 Ų150.736%0.36473%0.725SS.*  trans-110.4102.1168.7-175.3-2.9000109H609 I613 R614H609-D611 PolarHBondContact O-N 2.95Å; D611-I613 PolarHBondContact O-N 3.3Å; D611-I613 WeakPolarHBondContact OD1-CB 3.36Å; D611-I613 PolarHBondContact OD1-N 3.17Å; D611-I613 VanDerWaalsContact OD1-N 3.14Å; D611-R614 WeakPolarHBondContact OD2-CD 3.43Å; D611-R614 IonicContact OD2-NE 3.74Å
612P53.4Low43.6Very low122 Ų122150.4 Ų150.479%0.79272%0.717SS**THydrogen-bonded Turntrans-65.5-3.4-177.9-21.934.2000115.2
613I52.7Low44Very low151 Ų151148.7 Ų148.777%0.77472%0.717SS**THydrogen-bonded Turntrans-103.8-2.8-163.3-53.5178.3000112.2D611D611-I613 PolarHBondContact O-N 3.3Å; D611-I613 WeakPolarHBondContact OD1-CB 3.36Å; D611-I613 PolarHBondContact OD1-N 3.17Å; D611-I613 VanDerWaalsContact OD1-N 3.14Å
614R49.3Very low44.7Very low201 Ų201146.7 Ų146.776%0.75871%0.713SS**SBendtrans-124.31.1-167.4-71.5-173.2173.6-87.8-1.5118.6D611D611-R614 WeakPolarHBondContact OD2-CD 3.43Å; D611-R614 IonicContact OD2-NE 3.74Å
615D45.3Very low45.2Very low97 Ų97147.2 Ų147.252%0.51971%0.71SS.*  trans-124.794.6173.3-175.91.6000111.9L617D615-L617 VanDerWaalsContact C-N 3.28Å; D615-L617 PolarHBondContact O-N 2.94Å; D615-L617 PolarHBondContact OD1-N 2.94Å
616P55.3Low46.2Very low124 Ų124142.5 Ų142.581%0.80570%0.699SS**THydrogen-bonded Turntrans-75.2-6.5178.9-17.332.5000115.2
617L55.3Low46.7Very low159 Ų159146 Ų14683%0.83271%0.707SS**THydrogen-bonded Turntrans-103.55.3-164.4-66.5175.2000114.3D615D615-L617 VanDerWaalsContact C-N 3.28Å; D615-L617 PolarHBondContact O-N 2.94Å; D615-L617 PolarHBondContact OD1-N 2.94Å
618R53.6Low47.2Very low205 Ų205152.7 Ų152.777%0.77472%0.716SS**SBendtrans-107-7.4-165.2-134.8-177.1-175.5-72.4-3.1117.6
619D45.1Very low47.5Very low83 Ų83153.9 Ų153.944%0.44472%0.715SS.*  trans-150.586.1178.4-165-17.7000113.3Y621 R622D619-Y621 PolarHBondContact O-N 2.92Å; D619-Y621 PolarHBondContact OD1-N 3.48Å; D619-Y621 VanDerWaalsContact OD1-N 3.16Å; D619-R622 HydrophobicContact CB-CG 3.98Å; D619-R622 PolarHBondContact O-N 3.1Å; D619-R622 WeakPolarHBondContact OD2-CG 3.39Å; D619-R622 IonicContact OD2-NE 3.62Å
620P48.6Very low47.2Very low114 Ų114152.9 Ų152.974%0.7471%0.714SS**THydrogen-bonded Turntrans-66.7-0.4178.4-21.534.2000115.7
621Y45.7Very low47.6Very low189 Ų189147 Ų14774%0.74171%0.706SS**THydrogen-bonded Turntrans-107.90.6-177.6-88.4-94.4000113.7D619D619-Y621 PolarHBondContact O-N 2.92Å; D619-Y621 PolarHBondContact OD1-N 3.48Å; D619-Y621 VanDerWaalsContact OD1-N 3.16Å
622R52.3Low47.9Very low154 Ų154150.6 Ų150.658%0.58173%0.725SS**SBendtrans-78.4-24.3-178-84.7-77177.5178.22.5116D619 L624D619-R622 HydrophobicContact CB-CG 3.98Å; D619-R622 PolarHBondContact O-N 3.1Å; D619-R622 WeakPolarHBondContact OD2-CG 3.39Å; D619-R622 IonicContact OD2-NE 3.62Å; R622-L624 VanDerWaalsContact C-N 3.3Å; R622-L624 PolarHBondContact O-N 2.85Å
623E42.4Very low47.5Very low153 Ų153148.5 Ų148.572%0.71573%0.726SS**Hα-helixtrans-69.2-27.3-173.3-60.8-17213700113.2D625E623-D625 PolarHBondContact O-N 2.78Å
624L49.3Very low47Very low142 Ų142152.1 Ų152.174%0.74373%0.729SS**Hα-helixtrans-72.1-24.7-176.5-69.6170.6000114.5R622R622-L624 VanDerWaalsContact C-N 3.3Å; R622-L624 PolarHBondContact O-N 2.85Å
625D48.3Very low46.6Very low117 Ų117149.3 Ų149.363%0.62673%0.729SS**Hα-helixtrans-83.6-25.4-179.3-168.742.5000112.2E623E623-D625 PolarHBondContact O-N 2.78Å
626I50.7Low46.4Very low124 Ų124154.7 Ų154.764%0.63675%0.749SS**Hα-helixtrans-77.5-29.2-172.4-61.5171.6000111.7R628I626-R628 PolarHBondContact O-N 2.79Å; I626-R628 VanDerWaalsContact O-N 3.13Å
627H46.8Very low45.7Very low178 Ų178156.7 Ų156.782%0.82475%0.752SS**THydrogen-bonded Turntrans-74.34.5-177.1-92.5-80.8000115.9
628R41.9Very low44.9Very low241 Ų241157.3 Ų157.391%0.90976%0.755SS**THydrogen-bonded Turntrans-107.49.1-179.2-108.8-170.1-172-152.34.8116I626I626-R628 PolarHBondContact O-N 2.79Å; I626-R628 VanDerWaalsContact O-N 3.13Å
629R42.5Very low44Very low229 Ų229159.3 Ų159.386%0.86476%0.762SS**SBendtrans-112.7133.5169.2-72.2-167-179.8-163.21.3111.9
630D34.7Very low43.3Very low125 Ų125163 Ų16367%0.66878%0.782SS**  trans-56.7131.9179.7-179.149000112.6L632D630-L632 PolarHBondContact O-N 2.78Å
631P47.8Very low42.5Very low111 Ų111164.5 Ų164.572%0.72178%0.784SS**SBendtrans-84.66.4-169.633-37.2000115.8G633P631-G633 VanDerWaalsContact C-N 3.33Å; P631-G633 PolarHBondContact O-N 3.14Å
632L45Very low42.5Very low143 Ų143160.7 Ų160.775%0.74978%0.782SS**  trans-82.25.9-168.1-63176.9000116.3D630D630-L632 PolarHBondContact O-N 2.78Å
633G44.3Very low41.6Very low79 Ų79160.5 Ų160.581%0.81479%0.792SS**SBendtrans-100.810.9-166.400000118.1P631P631-G633 VanDerWaalsContact C-N 3.33Å; P631-G633 PolarHBondContact O-N 3.14Å
634R42.1Very low41.5Very low226 Ų226162.6 Ų162.685%0.85380%0.801SS**  trans-113-6.8-156.5-127.7171.1-179.9145.9-0.1118.7
635D41.4Very low40.8Very low142 Ų142166 Ų16676%0.75981%0.805SS**SBendtrans-103-1.2-165-57-51000116.3
636F40.5Very low40.1Very low211 Ų211167.9 Ų167.993%0.92581%0.814SS**  trans-9619.5-170.3-85.7-76.8000116.6
637L41.4Very low39.2Very low166 Ų166167.8 Ų167.887%0.86982%0.824SS**SBendtrans-115.122.4-177.3-85.3172.1000116
638L38.2Very low38.5Very low172 Ų172165.5 Ų165.590%0.90182%0.823SS**  trans-13680.5169.2-80.799.9000114.1
639R34.6Very low38.4Very low246 Ų246160.2 Ų160.293%0.92882%0.82SS**  trans-154.5147.9143.4-137.9168.5-175.5132.72.1112.3
640N31Very low38.3Very low160 Ų160158.7 Ų158.786%0.85681%0.814SS**  trans-101.8169.8178.2-85.3-87.1000111.7
641D31.1Very low38.3Very low147 Ų147160.8 Ų160.879%0.78682%0.824SS**  trans98.3137.4152-143.457.4000118.3
642P46.8Very low37.7Very low108 Ų108165.8 Ų165.870%0.70183%0.83SS**  trans-113.9100-162.238.4-25.1000114.3
643L33.9Very low37.1Very low150 Ų150165.3 Ų165.379%0.78582%0.824SS**  trans-138.3113167-74.3175.2000111.7
644H38.8Very low36.6Very low197 Ų197165.3 Ų165.391%0.91282%0.816SS**  -159147.9116-113.2-79.9000111.4
645R34.5Very low36.3Very low215 Ų215161.6 Ų161.681%0.81181%0.814SS**  trans-133.6157.9-168.4-158-174.5-164.5172.14.8108.2
646L34.2Very low35.9Very low155 Ų155166.8 Ų166.881%0.81282%0.822SS**  trans73.9106.6167.8-46.4174.6000117.2
647S30.9Very low35.5Very low123 Ų123161.6 Ų161.686%0.8681%0.813SS**  -166.7124.3118.334.20000110.5
648T32.9Very low35.2Very low130 Ų130162 Ų16280%0.79881%0.808SS**  trans-123.6165.1165.951.90000108.1
649P40.6Very low35.2Very low129 Ų129165.8 Ų165.884%0.83881%0.81SS**  -130.9157.9108.236-29.3000113.9
650R38.9Very low35.3Very low198 Ų198160.1 Ų160.175%0.74780%0.798SS**  trans-81.3160.1172.3-70.7-83.5-159.5112.8-1.2110.7E653R650-E653 IonicContact NH1-OE2 3.04Å; R650-E653 PolarHBondContact NH1-OE2 3.45Å
651L35.4Very low35.6Very low168 Ų168163 Ų16388%0.8880%0.797SS**  trans-152.1117.1134.3-111.7178.4000113.1
652Y34.5Very low35.7Very low216 Ų216162.6 Ų162.685%0.84779%0.79SS**  trans62.8165.3163.2-131.3-102.3000121.3
653E33.1Very low35.6Very low133 Ų133162.9 Ų162.962%0.62179%0.792SS**  trans-160.9167.6-150-159.8169.9133.500111R650R650-E653 IonicContact NH1-OE2 3.04Å; R650-E653 PolarHBondContact NH1-OE2 3.45Å
654A34.1Very low36Very low79 Ų79163.1 Ų163.165%0.65379%0.789SS**  trans75.1136.6159.400000122.2
655D34.7Very low36.1Very low149 Ų149161.2 Ų161.280%0.79779%0.785SS**  trans57116.2147.5-56.8-18.8000122.8
656R33.7Very low36.2Very low250 Ų250161.9 Ų161.994%0.94379%0.79SS**  -166.1160.894.1-100.9163.1-169.3-166.51.3114.7
657S32.1Very low36.1Very low103 Ų103158.8 Ų158.872%0.7278%0.781SS**  trans-113.4152.5-167.743.90000114
658F35.1Very low36.6Very low175 Ų175160.8 Ų160.877%0.76878%0.776SS**  trans42.9118.8153.8-81-98.7000120.8
659R37.5Very low36.7Very low250 Ų250163.5 Ų163.594%0.94378%0.78SS**  trans-142109.3148.2-87.2-67.8173.1150.2-3.2110.9
660D37.5Very low36.4Very low128 Ų128166 Ų16668%0.68478%0.78SS**  trans-77.2136.9171.4-61.5-82.1000112.7
661R37.4Very low36.5Very low221 Ų221165.1 Ų165.183%0.83478%0.783SS**  trans-162.5130.4139.4-142.569.9-167157.42.5114.7
662E32.6Very low36.7Very low138 Ų138164.6 Ų164.665%0.64578%0.776SS**  trans65.7131.7151.7-129.7149.612800121.8H664E662-H664 IonicContact OE1-CE1 3.56Å
663P44.7Very low36.7Very low114 Ų114163.4 Ų163.474%0.7478%0.778SS**  trans-91.1153.2160.837.1-31.6000111.4
664H43.1Very low36.7Very low155 Ų155165.6 Ų165.672%0.71879%0.788SS**  trans-127.7122.2169.6-79.71.7000111.1E662E662-H664 IonicContact OE1-CE1 3.56Å
665D41.3Very low36.7Very low156 Ų156170.8 Ų170.883%0.83480%0.798SS**  trans-69.9130.2170.8-72.9-68.6000111.1
666Y35.9Very low37.2Very low230 Ų230168.6 Ų168.690%0.90279%0.792SS**  trans-141.798.7154.6-91.7-71.4000110.8
667S31.9Very low37.6Very low89 Ų89164.6 Ų164.662%0.62279%0.788SS**  trans-100153.8163.4-168.60000110.3
668H41.3Very low38.1Very low165 Ų165165.6 Ų165.676%0.76480%0.796SS**  trans49.5101.9169.9-54.5-55.4000117.8
669H36.1Very low38.8Very low188 Ų188162.1 Ų162.187%0.8779%0.789SS**  trans-164.985.6132-110.273.4000111.2
670H34Very low39Very low181 Ų181154.5 Ų154.584%0.83877%0.767SS**  trans-161.381.4155.9-11464000110.9
671H39.7Very low39.8Very low179 Ų179153.1 Ų153.183%0.82976%0.764SS**  trans-109.6155.1149.6-114.143.5000107.1
672H40.3Very low40.5Very low158 Ų158151.5 Ų151.573%0.73176%0.758SS**  trans67.590.4-168.2-51.5-78000115.3
673H33.8Very low41.5Very low191 Ų191153.6 Ų153.688%0.88476%0.76SS**  -159.6119.9102.1-99.7-69.4000110.6
674H34.5Very low41.9Very low179 Ų179154 Ų15483%0.82975%0.753SS**  trans-107.5135.1168.4-79.1-83.8000109.2
675H33Very low42.6Very low188 Ų188154 Ų15487%0.8775%0.753SS**  trans-162.3167.3146.2-111.3-62.3000109
676P45.8Very low43.3Very low102 Ų102152.8 Ų152.866%0.66274%0.742SS**  -119.4154.7-117.638.1-23.5000114
677L41.8Very low44.4Very low166 Ų166151.1 Ų151.187%0.86973%0.734SS**  trans-108.6141.1157.3-66.3178000108.7V679L677-V679 PolarHBondContact O-N 3.09Å; L677-V679 VanDerWaalsContact O-N 3.09Å
678S43.6Very low46.1Very low125 Ų125148.1 Ų148.187%0.87472%0.717SS**  trans-53.6110.3-167.952.70000113D680S678-D680 PolarHBondContact O-N 3.1Å
679V49.6Very low47.5Very low102 Ų102142 Ų14262%0.61870%0.699SS**  trans-73.1122.2165.3-173.30000107.3L677 P681 E684L677-V679 PolarHBondContact O-N 3.09Å; L677-V679 VanDerWaalsContact O-N 3.09Å; V679-P681 WeakPolarHBondContact O-CD 3.2Å; V679-E684 HydrophobicContact CG1-CB 4.33Å
680D42.1Very low49.2Very low90 Ų90139.5 Ų139.548%0.48169%0.687SS.*  trans-64.3118173.5-179.4-16.9000108.9S678 R682 R683 E684S678-D680 PolarHBondContact O-N 3.1Å; D680-R682 PolarHBondContact O-N 3.19Å; D680-R682 VanDerWaalsContact OD1-CB 3.28Å; D680-R682 WeakPolarHBondContact OD1-CB 3.28Å; D680-R682 PolarHBondContact OD1-N 2.85Å; D680-R683 HydrophobicContact CB-CB 4.18Å; D680-R683 WeakPolarHBondContact O-CA 3.48Å; D680-R683 WeakPolarHBondContact O-CB 3.39Å; D680-R683 PolarHBondContact O-N 3.3Å; D680-E684 PolarHBondContact O-N 2.23Å
681P53.5Low51.2Low98 Ų98135.6 Ų135.664%0.63667%0.672SS**Hα-helixtrans-57.5-25.9-176.8-26.335.6000113.4V679 R683 E684 H685V679-P681 WeakPolarHBondContact O-CD 3.2Å; P681-R683 VanDerWaalsContact C-N 3.32Å; P681-E684 PolarHBondContact O-N 2.88Å; P681-H685 PolarHBondContact O-N 3.48Å; P681-H685 VanDerWaalsContact O-N 3.11Å
682R52.2Low53.1Low188 Ų188131.9 Ų131.971%0.70966%0.658SS**Hα-helixtrans-65.7-37.8174.9-165.3-178.4-170.695.78111.9D680 E686D680-R682 PolarHBondContact O-N 3.19Å; D680-R682 VanDerWaalsContact OD1-CB 3.28Å; D680-R682 WeakPolarHBondContact OD1-CB 3.28Å; D680-R682 PolarHBondContact OD1-N 2.85Å; R682-E686 PolarHBondContact O-N 2.99Å
683R52.8Low55Low181 Ų181130.4 Ų130.468%0.68365%0.651SS**Hα-helixtrans-77.7-26.1-179.9-156.6-176.1-151118.14.7112.4D680 P681 R687D680-R683 HydrophobicContact CB-CB 4.18Å; D680-R683 WeakPolarHBondContact O-CA 3.48Å; D680-R683 WeakPolarHBondContact O-CB 3.39Å; D680-R683 PolarHBondContact O-N 3.3Å; P681-R683 VanDerWaalsContact C-N 3.32Å; R683-R687 PolarHBondContact O-N 2.93Å
684E54Low57.5Low124 Ų124129.5 Ų129.558%0.57964%0.64SS**Hα-helixtrans-70.8-44.6170.5-176.3168.1-142.100111.2V679 D680 P681 E686 R687 G688V679-E684 HydrophobicContact CG1-CB 4.33Å; D680-E684 PolarHBondContact O-N 2.23Å; P681-E684 PolarHBondContact O-N 2.88Å; E684-E686 PolarHBondContact O-N 3.21Å; E684-R687 CarbonylContact O-C 3.54Å; E684-R687 WeakPolarHBondContact O-CA 3.19Å; E684-R687 WeakPolarHBondContact O-CB 3.4Å; E684-R687 PolarHBondContact O-N 3.06Å; E684-G688 PolarHBondContact O-N 3.08Å
685H56.6Low59.9Low155 Ų155127 Ų12772%0.71863%0.629SS**Hα-helixtrans-60.2-41.2178.5-170.266.5000113.1P681 R687 G688 G689P681-H685 PolarHBondContact O-N 3.48Å; P681-H685 VanDerWaalsContact O-N 3.11Å; H685-R687 VanDerWaalsContact C-N 3.25Å; H685-R687 PolarHBondContact O-N 3.01Å; H685-G688 PolarHBondContact O-N 3.17Å; H685-G689 PolarHBondContact O-N 3.47Å
686E57Low62.7Low129 Ų129126.9 Ų126.960%0.60362%0.621SS**Hα-helixtrans-65.2-28172.8-69.7175.916700112.7R682 E684 H690R682-E686 PolarHBondContact O-N 2.99Å; E684-E686 PolarHBondContact O-N 3.21Å; E686-H690 WeakPolarHBondContact O-CB 3.34Å; E686-H690 PolarHBondContact O-N 3.43Å
687R59.2Low64.8Low195 Ų195127.1 Ų127.174%0.73662%0.616SS**Hα-helixtrans-80.9-36.8177.5-140.9-179.5-166.6-154.32.9112.4R683 E684 H685 L691R683-R687 PolarHBondContact O-N 2.93Å; E684-R687 CarbonylContact O-C 3.54Å; E684-R687 WeakPolarHBondContact O-CA 3.19Å; E684-R687 WeakPolarHBondContact O-CB 3.4Å; E684-R687 PolarHBondContact O-N 3.06Å; H685-R687 VanDerWaalsContact C-N 3.25Å; H685-R687 PolarHBondContact O-N 3.01Å; R687-L691 WeakPolarHBondContact O-CG 3.43Å; R687-L691 PolarHBondContact O-N 3.23Å; R687-L691 VanDerWaalsContact O-N 3.1Å
688G66.4Low66.9Low27 Ų27124 Ų12428%0.27860%0.597SS.*Hα-helixtrans-59.1-59.7168.600000109.9E684 H685 H690 L691 D692E684-G688 PolarHBondContact O-N 3.08Å; H685-G688 PolarHBondContact O-N 3.17Å; G688-H690 PolarHBondContact O-N 3.44Å; G688-H690 VanDerWaalsContact O-N 3.1Å; G688-L691 CarbonylContact O-C 3.5Å; G688-L691 WeakPolarHBondContact O-CA 3.44Å; G688-L691 WeakPolarHBondContact O-CB 3.17Å; G688-L691 PolarHBondContact O-N 3.05Å; G688-D692 VanDerWaalsContact O-CG 3.26Å; G688-D692 PolarHBondContact O-N 3.24Å; G688-D692 VanDerWaalsContact O-OD2 3.06Å
689G72.1Confident68.9Low36 Ų36122.9 Ų122.937%0.37158%0.579SS.*Hα-helixtrans-55.7-33.9179.600000114.6H685 D692 E693H685-G689 PolarHBondContact O-N 3.47Å; G689-D692 PolarHBondContact N-OD2 2.77Å; G689-E693 WeakPolarHBondContact O-CB 3.3Å; G689-E693 PolarHBondContact O-N 2.82Å
690H70.4Confident70.9Confident135 Ų135123.5 Ų123.563%0.62558%0.578SS**Hα-helixtrans-74.2-28.5173.1-173.6-54.6000113E686 G688 R694E686-H690 WeakPolarHBondContact O-CB 3.34Å; E686-H690 PolarHBondContact O-N 3.43Å; G688-H690 PolarHBondContact O-N 3.44Å; G688-H690 VanDerWaalsContact O-N 3.1Å; H690-R694 WeakPolarHBondContact O-CB 3.42Å; H690-R694 PolarHBondContact O-N 2.75Å; H690-R694 VanDerWaalsContact O-N 3.09Å
691L76.4Confident73Confident99 Ų99127.8 Ų127.852%0.51859%0.588SS.*Hα-helixtrans-74.8-45.1170.5-73.5167.9000110.8R687 G688 E693 R694 E695R687-L691 WeakPolarHBondContact O-CG 3.43Å; R687-L691 PolarHBondContact O-N 3.23Å; R687-L691 VanDerWaalsContact O-N 3.1Å; G688-L691 CarbonylContact O-C 3.5Å; G688-L691 WeakPolarHBondContact O-CA 3.44Å; G688-L691 WeakPolarHBondContact O-CB 3.17Å; G688-L691 PolarHBondContact O-N 3.05Å; L691-E693 VanDerWaalsContact C-N 3.35Å; L691-E693 PolarHBondContact O-N 2.98Å; L691-R694 CarbonylContact O-C 3.56Å; L691-R694 WeakPolarHBondContact O-CB 3.5Å; L691-R694 PolarHBondContact O-N 2.91Å; L691-R694 VanDerWaalsContact O-N 3.14Å; L691-E695 WeakPolarHBondContact O-CB 3.19Å; L691-E695 PolarHBondContact O-N 3.33Å
692D79.5Confident74.4Confident102 Ų102126.9 Ų126.955%0.54558%0.575SS.*Hα-helixtrans-59.9-42.4175.1-57.7-44.7000111.4G688 G689 E695 R696G688-D692 VanDerWaalsContact O-CG 3.26Å; G688-D692 PolarHBondContact O-N 3.24Å; G688-D692 VanDerWaalsContact O-OD2 3.06Å; G689-D692 PolarHBondContact N-OD2 2.77Å; D692-E695 PolarHBondContact O-N 3.43Å; D692-R696 WeakPolarHBondContact O-CB 3.48Å; D692-R696 PolarHBondContact O-N 2.89Å
693E80.4Confident75.7Confident126 Ų126122.3 Ų122.359%0.58956%0.564SS**Hα-helixtrans-70.8-34.6175.2-174.8163.2-13200111.9G689 L691 L697G689-E693 WeakPolarHBondContact O-CB 3.3Å; G689-E693 PolarHBondContact O-N 2.82Å; L691-E693 VanDerWaalsContact C-N 3.35Å; L691-E693 PolarHBondContact O-N 2.98Å; E693-L697 HydrophobicContact CG-CD1 4.16Å; E693-L697 VanDerWaalsContact O-CB 3.32Å; E693-L697 WeakPolarHBondContact O-CB 3.26Å; E693-L697 WeakPolarHBondContact O-CG 3.38Å; E693-L697 PolarHBondContact O-N 3.1Å
694R85.9Confident77.1Confident173 Ų173121 Ų12165%0.65356%0.561SS**Hα-helixtrans-65.5-41.3172.3177.8-179.3177.5-177.3-1.5111.6H690 L691 L697 H698H690-R694 WeakPolarHBondContact O-CB 3.42Å; H690-R694 PolarHBondContact O-N 2.75Å; H690-R694 VanDerWaalsContact O-N 3.09Å; L691-R694 CarbonylContact O-C 3.56Å; L691-R694 WeakPolarHBondContact O-CB 3.5Å; L691-R694 PolarHBondContact O-N 2.91Å; L691-R694 VanDerWaalsContact O-N 3.14Å; R694-L697 PolarHBondContact O-N 3.33Å; R694-H698 WeakPolarHBondContact O-CB 3.2Å; R694-H698 PolarHBondContact O-N 2.72Å
695E86.5Confident78.1Confident126 Ų126118.4 Ų118.459%0.58955%0.548SS*.Hα-helixtrans-68.5-43.9176.5-173.9168.6170.300110.6L691 D692 L697 H698 M699L691-E695 WeakPolarHBondContact O-CB 3.19Å; L691-E695 PolarHBondContact O-N 3.33Å; D692-E695 PolarHBondContact O-N 3.43Å; E695-L697 VanDerWaalsContact C-N 3.3Å; E695-L697 PolarHBondContact O-N 3.4Å; E695-H698 CarbonylContact O-C 3.53Å; E695-H698 WeakPolarHBondContact O-CA 3.32Å; E695-H698 VanDerWaalsContact O-CB 3.26Å; E695-H698 WeakPolarHBondContact O-CB 3.27Å; E695-H698 PolarHBondContact O-N 3.36Å; E695-M699 WeakPolarHBondContact O-CG 3.45Å; E695-M699 PolarHBondContact O-N 3.13Å
696R90.8Very high78.8Confident186 Ų186115.7 Ų115.770%0.70254%0.536SS*.Hα-helixtrans-57.8-39.1171.5-179.4177.6177.273.85.3112.9D692 H698 L700D692-R696 WeakPolarHBondContact O-CB 3.48Å; D692-R696 PolarHBondContact O-N 2.89Å; R696-H698 VanDerWaalsContact C-N 3.35Å; R696-L700 VanDerWaalsContact O-CB 3.27Å; R696-L700 WeakPolarHBondContact O-CB 3.42Å; R696-L700 PolarHBondContact O-N 3.3Å
697L89.1Confident79.2Confident106 Ų106114.3 Ų114.356%0.55554%0.536SS*.Hα-helixtrans-74.8-23.8174.1-72.9169.8000113E693 R694 E695 R701E693-L697 HydrophobicContact CG-CD1 4.16Å; E693-L697 VanDerWaalsContact O-CB 3.32Å; E693-L697 WeakPolarHBondContact O-CB 3.26Å; E693-L697 WeakPolarHBondContact O-CG 3.38Å; E693-L697 PolarHBondContact O-N 3.1Å; R694-L697 PolarHBondContact O-N 3.33Å; E695-L697 VanDerWaalsContact C-N 3.3Å; E695-L697 PolarHBondContact O-N 3.4Å; L697-R701 PolarHBondContact O-N 3.03Å
698H86.4Confident79.6Confident101 Ų101111.9 Ų111.947%0.46853%0.527SS..Hα-helixtrans-72.1-54.6170.9-158-91000109.7R694 E695 R696 L700 R701 E702R694-H698 WeakPolarHBondContact O-CB 3.2Å; R694-H698 PolarHBondContact O-N 2.72Å; E695-H698 CarbonylContact O-C 3.53Å; E695-H698 WeakPolarHBondContact O-CA 3.32Å; E695-H698 VanDerWaalsContact O-CB 3.26Å; E695-H698 WeakPolarHBondContact O-CB 3.27Å; E695-H698 PolarHBondContact O-N 3.36Å; R696-H698 VanDerWaalsContact C-N 3.35Å; H698-L700 VanDerWaalsContact C-N 3.32Å; H698-L700 PolarHBondContact O-N 2.82Å; H698-R701 CarbonylContact O-C 3.54Å; H698-R701 WeakPolarHBondContact O-CA 3.35Å; H698-R701 WeakPolarHBondContact O-CB 3.41Å; H698-R701 PolarHBondContact O-N 3.44Å; H698-E702 VanDerWaalsContact C-OE2 3.31Å; H698-E702 VanDerWaalsContact CE1-CD 3.43Å; H698-E702 IonicContact CE1-OE1 2.65Å; H698-E702 PolarHBondContact CE1-OE1 3.3Å; H698-E702 IonicContact CE1-OE2 3.14Å; H698-E702 IonicContact CG-OE2 3.91Å; H698-E702 IonicContact ND1-OE1 3.91Å; H698-E702 PolarHBondContact ND1-OE1 2.87Å; H698-E702 VanDerWaalsContact ND1-OE1 3.13Å; H698-E702 IonicContact ND1-OE2 3.77Å; H698-E702 PolarHBondContact ND1-OE2 2.94Å; H698-E702 WeakPolarHBondContact O-CG 3.4Å; H698-E702 PolarHBondContact O-N 3.3Å
699M86.6Confident79.1Confident102 Ų102115.7 Ų115.750%0.50254%0.54SS..Hα-helixtrans-53.3-44.8173.2-70.8-174.372.300112.2E695 R701 E702 D703E695-M699 WeakPolarHBondContact O-CG 3.45Å; E695-M699 PolarHBondContact O-N 3.13Å; M699-R701 PolarHBondContact O-N 3.37Å; M699-E702 PolarHBondContact N-OE2 3.37Å; M699-E702 CarbonylContact O-C 3.54Å; M699-E702 PolarHBondContact O-N 2.74Å; M699-E702 VanDerWaalsContact O-N 3.11Å; M699-D703 WeakPolarHBondContact O-CB 3.42Å; M699-D703 PolarHBondContact O-N 3.11Å
700L90.1Very high78.2Confident114 Ų114120.9 Ų120.960%0.59756%0.555SS**Hα-helixtrans-66.9-26.4179.2-171.764.3000112.9R696 H698 Y704R696-L700 VanDerWaalsContact O-CB 3.27Å; R696-L700 WeakPolarHBondContact O-CB 3.42Å; R696-L700 PolarHBondContact O-N 3.3Å; H698-L700 VanDerWaalsContact C-N 3.32Å; H698-L700 PolarHBondContact O-N 2.82Å; L700-Y704 WeakPolarHBondContact O-CB 3.38Å; L700-Y704 PolarHBondContact O-N 2.96Å
701R87.8Confident77.4Confident181 Ų181119.4 Ų119.468%0.68356%0.559SS**Hα-helixtrans-77.5-39.2170.2174.3179.3-65.8176.30.3111.3L697 H698 M699 Y704 E705L697-R701 PolarHBondContact O-N 3.03Å; H698-R701 CarbonylContact O-C 3.54Å; H698-R701 WeakPolarHBondContact O-CA 3.35Å; H698-R701 WeakPolarHBondContact O-CB 3.41Å; H698-R701 PolarHBondContact O-N 3.44Å; M699-R701 PolarHBondContact O-N 3.37Å; R701-Y704 PolarHBondContact O-N 3.34Å; R701-E705 PolarHBondContact O-N 2.94Å
702E82.7Confident76.4Confident79 Ų79119.5 Ų119.537%0.36956%0.564SS.*Hα-helixtrans-65.3-47.2176.4-72.3166.9133.700110.5H698 M699 Y704 E705 H706H698-E702 VanDerWaalsContact C-OE2 3.31Å; H698-E702 VanDerWaalsContact CE1-CD 3.43Å; H698-E702 IonicContact CE1-OE1 2.65Å; H698-E702 PolarHBondContact CE1-OE1 3.3Å; H698-E702 IonicContact CE1-OE2 3.14Å; H698-E702 IonicContact CG-OE2 3.91Å; H698-E702 IonicContact ND1-OE1 3.91Å; H698-E702 PolarHBondContact ND1-OE1 2.87Å; H698-E702 VanDerWaalsContact ND1-OE1 3.13Å; H698-E702 IonicContact ND1-OE2 3.77Å; H698-E702 PolarHBondContact ND1-OE2 2.94Å; H698-E702 WeakPolarHBondContact O-CG 3.4Å; H698-E702 PolarHBondContact O-N 3.3Å; M699-E702 PolarHBondContact N-OE2 3.37Å; M699-E702 CarbonylContact O-C 3.54Å; M699-E702 PolarHBondContact O-N 2.74Å; M699-E702 VanDerWaalsContact O-N 3.11Å; E702-Y704 VanDerWaalsContact C-N 3.27Å; E702-Y704 PolarHBondContact O-N 3.15Å; E702-E705 CarbonylContact O-C 3.56Å; E702-E705 PolarHBondContact O-N 2.68Å; E702-H706 VanDerWaalsContact O-CB 3.25Å; E702-H706 WeakPolarHBondContact O-CB 3.17Å; E702-H706 PolarHBondContact O-CD2 3.25Å; E702-H706 PolarHBondContact O-N 2.7Å
703D79.6Confident74.4Confident91 Ų91122.3 Ų122.349%0.48757%0.573SS.*Hα-helixtrans-56.9-39.2172.6-78-26.1000112.2M699 T707M699-D703 WeakPolarHBondContact O-CB 3.42Å; M699-D703 PolarHBondContact O-N 3.11Å; D703-T707 VanDerWaalsContact O-CB 3.25Å; D703-T707 WeakPolarHBondContact O-CB 3.25Å; D703-T707 PolarHBondContact O-N 3.21Å; D703-T707 PolarHBondContact O-OG1 3.44Å
704Y81.7Confident72.5Confident155 Ų155121.6 Ų121.661%0.60858%0.58SS**Hα-helixtrans-65.9-47.1175.5-179.9-95.1000111.6L700 R701 E702 R708L700-Y704 WeakPolarHBondContact O-CB 3.38Å; L700-Y704 PolarHBondContact O-N 2.96Å; R701-Y704 PolarHBondContact O-N 3.34Å; E702-Y704 VanDerWaalsContact C-N 3.27Å; E702-Y704 PolarHBondContact O-N 3.15Å; Y704-R708 WeakPolarHBondContact O-CB 2.9Å; Y704-R708 PolarHBondContact O-N 3.08Å
705E75.2Confident70.2Confident69 Ų69118.7 Ų118.732%0.32259%0.593SS.*Hα-helixtrans-70.6-35.6176.6-69.3-60.815500112.5R701 E702 R708 L709R701-E705 PolarHBondContact O-N 2.94Å; E702-E705 CarbonylContact O-C 3.56Å; E702-E705 PolarHBondContact O-N 2.68Å; E705-R708 CarbonylContact O-C 3.5Å; E705-R708 WeakPolarHBondContact O-CB 3.25Å; E705-R708 PolarHBondContact O-N 3.17Å; E705-R708 IonicContact OE1-NH1 3.99Å; E705-R708 WeakPolarHBondContact OE2-CD 3.21Å; E705-R708 IonicContact OE2-CZ 2.66Å; E705-R708 IonicContact OE2-NE 3.26Å; E705-R708 IonicContact OE2-NH1 2.83Å; E705-R708 PolarHBondContact OE2-NH1 2.66Å; E705-L709 WeakPolarHBondContact O-CB 3.49Å; E705-L709 WeakPolarHBondContact O-CD1 3.35Å; E705-L709 WeakPolarHBondContact O-CG 3.48Å; E705-L709 PolarHBondContact O-N 3.32Å
706H70.9Confident67.9Low97 Ų97117.6 Ų117.645%0.44960%0.599SS.*Hα-helixtrans-63.2-46.8172.7-81.8-63.6000110.8E702 R708 L709 H710E702-H706 VanDerWaalsContact O-CB 3.25Å; E702-H706 WeakPolarHBondContact O-CB 3.17Å; E702-H706 PolarHBondContact O-CD2 3.25Å; E702-H706 PolarHBondContact O-N 2.7Å; H706-R708 VanDerWaalsContact C-N 3.28Å; H706-R708 PolarHBondContact O-N 2.86Å; H706-L709 PolarHBondContact O-N 2.77Å; H706-H710 WeakPolarHBondContact O-CB 3.32Å; H706-H710 PolarHBondContact O-CD2 2.8Å; H706-H710 PolarHBondContact O-N 3.09Å
707T65.6Low65.6Low100 Ų100117.2 Ų117.261%0.61361%0.61SS**Hα-helixtrans-59.7-41.9173.8-57.80000110.8D703 L709 S711D703-T707 VanDerWaalsContact O-CB 3.25Å; D703-T707 WeakPolarHBondContact O-CB 3.25Å; D703-T707 PolarHBondContact O-N 3.21Å; D703-T707 PolarHBondContact O-OG1 3.44Å; T707-L709 PolarHBondContact O-N 2.96Å; T707-S711 VanDerWaalsContact O-CB 3.3Å; T707-S711 WeakPolarHBondContact O-CB 3.48Å; T707-S711 PolarHBondContact O-N 2.68Å
708R67.6Low63.1Low145 Ų145120.1 Ų120.155%0.54763%0.626SS.*Hα-helixtrans-67.3-30.1177.2-179.5173.5171-93.7-9.9113.5Y704 E705 H706 V712Y704-R708 WeakPolarHBondContact O-CB 2.9Å; Y704-R708 PolarHBondContact O-N 3.08Å; E705-R708 CarbonylContact O-C 3.5Å; E705-R708 WeakPolarHBondContact O-CB 3.25Å; E705-R708 PolarHBondContact O-N 3.17Å; E705-R708 IonicContact OE1-NH1 3.99Å; E705-R708 WeakPolarHBondContact OE2-CD 3.21Å; E705-R708 IonicContact OE2-CZ 2.66Å; E705-R708 IonicContact OE2-NE 3.26Å; E705-R708 IonicContact OE2-NH1 2.83Å; E705-R708 PolarHBondContact OE2-NH1 2.66Å; H706-R708 VanDerWaalsContact C-N 3.28Å; H706-R708 PolarHBondContact O-N 2.86Å; R708-V712 VanDerWaalsContact O-CG2 3.22Å; R708-V712 WeakPolarHBondContact O-CG2 3.3Å
709L56.5Low60.7Low106 Ų106117.5 Ų117.556%0.55563%0.627SS**Hα-helixtrans-83.7-43.5176.7-72.3165.8000112E705 H706 T707 S711 V712E705-L709 WeakPolarHBondContact O-CB 3.49Å; E705-L709 WeakPolarHBondContact O-CD1 3.35Å; E705-L709 WeakPolarHBondContact O-CG 3.48Å; E705-L709 PolarHBondContact O-N 3.32Å; H706-L709 PolarHBondContact O-N 2.77Å; T707-L709 PolarHBondContact O-N 2.96Å; L709-S711 PolarHBondContact O-N 3.44Å; L709-V712 PolarHBondContact O-N 3.3Å
710H53.5Low58.2Low146 Ų146122.3 Ų122.368%0.67665%0.648SS**Hα-helixtrans-65.3-25.8175.5-74.3-61.9000112.5H706 V712H706-H710 WeakPolarHBondContact O-CB 3.32Å; H706-H710 PolarHBondContact O-CD2 2.8Å; H706-H710 PolarHBondContact O-N 3.09Å; H710-V712 PolarHBondContact O-N 3.19Å
711S52.8Low55.8Low103 Ų103123.4 Ų123.472%0.7265%0.653SS**THydrogen-bonded Turntrans-72.5-3.2171.3-171.90000114.6T707 L709T707-S711 VanDerWaalsContact O-CB 3.3Å; T707-S711 WeakPolarHBondContact O-CB 3.48Å; T707-S711 PolarHBondContact O-N 2.68Å; L709-S711 PolarHBondContact O-N 3.44Å
712V54.8Low53.8Low102 Ų102120.6 Ų120.662%0.61866%0.659SS**THydrogen-bonded Turntrans-115.8-7.4-169.7175.10000113.8R708 L709 H710R708-V712 VanDerWaalsContact O-CG2 3.22Å; R708-V712 WeakPolarHBondContact O-CG2 3.3Å; L709-V712 PolarHBondContact O-N 3.3Å; H710-V712 PolarHBondContact O-N 3.19Å
713H38.4Very low51.6Low160 Ų160124.9 Ų124.974%0.74168%0.678SS**  trans-125.4112.7173-90.6-81.2000112.9
714P39.6Very low50.1Low111 Ų111126.2 Ų126.272%0.72169%0.692SS**  trans-69.2133.8160.130.4-32.1000109.2S716P714-S716 PolarHBondContact O-N 3.39Å
715A38.7Very low47.6Very low113 Ų113124 Ų12493%0.93470%0.699SS**  trans-75.9109.9175.600000110.3
716S37Very low45.7Very low103 Ų103127.9 Ų127.972%0.7272%0.721SS**  trans-132.995.3175.562.30000111.1P714P714-S716 PolarHBondContact O-N 3.39Å
717L42.5Very low44.1Very low177 Ų177130.4 Ų130.493%0.92774%0.736SS**  trans-129.393.5165-78.6175.7000109.2
718D36.5Very low42.4Very low167 Ų167132 Ų13289%0.89375%0.746SS**  trans-69.7145.3153.8-151.824.2000107.2
719G36.1Very low41.8Very low46 Ų46131 Ų13147%0.47476%0.758SS.*  cis138.3108.91.700000109.8
720H34.1Very low40.5Very low204 Ų204129.3 Ų129.394%0.94477%0.767SS**  trans-156.9143.7170-96.9-65.4000112.7
721L39.3Very low39.7Very low137 Ų137130.3 Ų130.372%0.71778%0.776SS**  trans-85.1159.1179.2-90.4167.9000111.2
722P46Very low39.7Very low122 Ų122131 Ų13179%0.79278%0.778SS**  -144.5163.257.939.5-20.2000119
723H36.9Very low38.6Very low168 Ų168131.2 Ų131.278%0.77878%0.784SS**  trans-108.1146.8165.4-68.5-81.5000111.4
724P47.8Very low38.4Very low119 Ų119130.7 Ų130.777%0.77378%0.784SS**  trans-98.2125.2158.233.7-26.6000112.3
725S29.6Very low38.4Very low108 Ų108133.7 Ų133.776%0.75579%0.788SS**  trans28.2138.2145.6-52.20000122.4
726L35.8Very low38.2Very low152 Ų152138.3 Ų138.380%0.79678%0.783SS**  -179.713698.3-91.7171.3000115.1
727I36.1Very low38.8Very low150 Ų150139.4 Ų139.477%0.76979%0.787SS**  trans78.3126.4147.8-59.2160.9000120.9
728T31.6Very low38.6Very low132 Ų132141.1 Ų141.181%0.8178%0.782SS**  trans-117.4-169.5167.916.90000109
729P53.4Low38.6Very low124 Ų124141.1 Ų141.181%0.80578%0.78SS**  cis-131.6-176.7-7.636.7-17.3000115.2
730G30.2Very low38.2Very low72 Ų72144.1 Ų144.174%0.74279%0.794SS**  trans-169134.7162.700000112.7
731L37.3Very low38.6Very low167 Ų167140.7 Ų140.787%0.87479%0.789SS**  trans-145.3177.1-171.1-73177000110.2
732P51.3Low38.2Very low117 Ų117140.7 Ų140.776%0.7680%0.795SS**  cis-131.4-178.3-45.638-23000112.2
733S32Very low37.5Very low107 Ų107139.7 Ų139.775%0.74880%0.798SS**  178.7112.1126.9-1650000115.3
734M35.4Very low37.2Very low149 Ų149135 Ų13573%0.73479%0.794SS**  trans35.4120.6135.5-51.7-59-78.900122.6
735H38Very low36.4Very low174 Ų174136.5 Ų136.581%0.80680%0.796SS**  -172.315496.1-95.9-76000111.4
736Y34.4Very low36.4Very low209 Ų209138.9 Ų138.982%0.8280%0.795SS**  trans-147.4152.3-172.4-95.7-71.5000109.1
737P51.4Low36.4Very low126 Ų126139.3 Ų139.382%0.81880%0.798SS**  -152.2-174.568.241.1-21.3000117
738R37.8Very low35.9Very low214 Ų214135.9 Ų135.981%0.80880%0.799SS**  cis179.198.8-44.2-169.7-86.2-168.7156.65109.3
739I35.3Very low36.3Very low167 Ų167136.6 Ų136.686%0.85680%0.798SS**  trans-149.3138.7157.434.3172.4000111.4
740S28.7Very low35.6Very low109 Ų109138.5 Ų138.576%0.76280%0.8SS**  trans-158.7155.4173.6-45.40000108.2
741P42.3Very low35.7Very low131 Ų131141.2 Ų141.285%0.85180%0.798SS**  -122.4-170.2122.436.6-33000111.8
742T31Very low35.6Very low137 Ų137143.1 Ų143.184%0.8480%0.799SS**  trans-123.9167.7-146.7-29.20000113.5
743A31.5Very low34.9Very low102 Ų102143.6 Ų143.684%0.84380%0.8SS**  trans74.8149.7170.400000116.7
744G30.9Very low35.3Very low69 Ų69143.9 Ų143.971%0.71180%0.799SS**  cis163.7116.2-12.300000115.6
745N29.7Very low35.8Very low150 Ų150142.5 Ų142.580%0.80280%0.801SS**  trans61.2142.8143.6-137.332.5000121.1
746Q31.2Very low35.8Very low158 Ų158141.2 Ų141.274%0.73881%0.806SS**  trans82.1127.8159.2-44.4-166.877.600120.6
747N33.9Very low35.8Very low162 Ų162135.2 Ų135.287%0.86680%0.8SS**  trans14.4131.9141.3-57.6-24.4000120
748G27.4Very low35.2Very low77 Ų77133.8 Ų133.879%0.79480%0.798SS**  trans-178.2131.6162.600000116.8
749L38.3Very low35.3Very low148 Ų148131.1 Ų131.178%0.77580%0.799SS**  trans-42.2157.3158-85.657.9000112.4
750L40.3Very low35.4Very low164 Ų164127.4 Ų127.486%0.85979%0.788SS**  -161147.279-90.1167.6000115.4
751N30.6Very low35.7Very low128 Ų128125.9 Ų125.968%0.68478%0.782SS**  trans-62.5146.8173.2-65.6-70.5000113
752K35.7Very low35.9Very low208 Ų208124.7 Ų124.790%0.90477%0.774SS**  trans-131.397.3149.8-74.7-169.2176.9-179.40109.7P754K752-P754 WeakPolarHBondContact O-CD 3.22Å
753T37.7Very low37Very low127 Ų127123.6 Ų123.678%0.77977%0.769SS**PPolyproline II helixtrans-73.9126.9176.6450000112.1
754P39Very low37.9Very low112 Ų112124.4 Ų124.473%0.72777%0.766SS**PPolyproline II helixtrans-77.2159.7145.833.7-30.7000110K752K752-P754 WeakPolarHBondContact O-CD 3.22Å
755P47.6Very low38.3Very low121 Ų121129.1 Ų129.179%0.78677%0.774SS**PPolyproline II helixtrans-80.3152.1-164.831.1-36.4000114.8A757P755-A757 PolarHBondContact O-N 3.26Å
756T37.1Very low38.6Very low147 Ų147128.9 Ų128.990%0.90277%0.771SS**PPolyproline II helixtrans-67.3116.9163.6-64.30000109.9
757A34Very low38.6Very low83 Ų83127 Ų12769%0.68678%0.776SS**  trans-133.8108.1167.100000108.8P755 L759P755-A757 PolarHBondContact O-N 3.26Å; A757-L759 PolarHBondContact O-N 3.04Å
758A39.2Very low38.7Very low96 Ų96125.3 Ų125.379%0.79377%0.771SS**  trans-78.3115.1-177.400000111
759L39.3Very low39.1Very low157 Ų157130.1 Ų130.182%0.82278%0.778SS**  trans-128.968.4171.4-74.7178.5000111.7A757 A761A757-L759 PolarHBondContact O-N 3.04Å; L759-A761 PolarHBondContact O-N 3.49Å
760S38.2Very low38.9Very low90 Ų90126.4 Ų126.463%0.62978%0.776SS**  trans-75.1107.6148173.20000107.7W335W335-S760 WeakPolarHBondContact CH2-OG 3.32Å; W335-S760 WeakPolarHBondContact CZ2-OG 3.37Å
761A35.7Very low38.5Very low76 Ų76122.1 Ų122.163%0.62877%0.771SS**  trans-140119.6175.900000109.9L759L759-A761 PolarHBondContact O-N 3.49Å
762P45.4Very low38.8Very low106 Ų106127.9 Ų127.969%0.68878%0.783SS**PPolyproline II helixtrans-74.215517331.8-34.3000110.9
763P53.6Low38.8Very low114 Ų114123.9 Ų123.974%0.7478%0.778SS**PPolyproline II helixtrans-64.1141.9173.727.9-34.6000111.1L765P763-L765 PolarHBondContact O-N 3.33Å
764P51.2Low38.5Very low119 Ų119124.4 Ų124.477%0.77378%0.781SS**PPolyproline II helixtrans-70.2128.3-176.627.8-34.4000112I766P764-I766 PolarHBondContact O-N 3.03Å
765L39.5Very low38.4Very low168 Ų168124 Ų12488%0.8878%0.781SS**PPolyproline II helixtrans-75118.9171.1-66175.3000110P763 S767P763-L765 PolarHBondContact O-N 3.33Å; L765-S767 PolarHBondContact O-N 3.38Å
766I35.8Very low37.9Very low145 Ų145123.9 Ų123.974%0.74478%0.78SS**  trans-83.8101.6177.6-50.9177.5000109.3P764 T768P764-I766 PolarHBondContact O-N 3.03Å; I766-T768 HydrophobicContact CG2-CG2 4.15Å; I766-T768 PolarHBondContact O-N 3.1Å
767S32.1Very low37.8Very low119 Ų119128 Ų12883%0.83278%0.779SS**  trans-70.191.5173.1-65.80000111.7L765 L769L765-S767 PolarHBondContact O-N 3.38Å; S767-L769 PolarHBondContact O-N 3.29Å
768T34.1Very low38Very low126 Ų126135.2 Ų135.277%0.77379%0.789SS**  trans-83.392174.140.80000111.8I766 G770I766-T768 HydrophobicContact CG2-CG2 4.15Å; I766-T768 PolarHBondContact O-N 3.1Å; T768-G770 VanDerWaalsContact C-N 3.35Å; T768-G770 PolarHBondContact O-N 3.33Å
769L37.8Very low37.8Very low179 Ų179137 Ų13794%0.93779%0.79SS**  trans-68.787.3169.4-175.169.1000110.5S767S767-L769 PolarHBondContact O-N 3.29Å
770G32.5Very low37.6Very low70 Ų70134.8 Ų134.872%0.72278%0.783SS**PPolyproline II helixtrans-84.7122.117600000112.5T768T768-G770 VanDerWaalsContact C-N 3.35Å; T768-G770 PolarHBondContact O-N 3.33Å
771G32.1Very low37.5Very low74 Ų74136.6 Ų136.676%0.76379%0.793SS**PPolyproline II helixtrans-70.3151.3-176.100000114.9P773G771-P773 WeakPolarHBondContact O-CD 3.46Å
772R37.2Very low37.3Very low248 Ų248141.1 Ų141.194%0.93681%0.806SS**PPolyproline II helixtrans-73.8129.6171.4-65.7178.9173-151.3-0.7111.4
773P34.9Very low36.6Very low124 Ų124141.8 Ų141.881%0.80581%0.813SS**PPolyproline II helixtrans-87154.2154.233.2-30.5000111.6G771G771-P773 WeakPolarHBondContact O-CD 3.46Å
774V32.8Very low35.6Very low139 Ų139140.9 Ų140.984%0.84282%0.815SS**PPolyproline II helixtrans-78.6153.5-172170.70000113.1
775S35.7Very low34.6Very low104 Ų104143.9 Ų143.973%0.72782%0.819SS**PPolyproline II helixtrans-59.5129.8175.8176.80000114.5
776P38.3Very low34.5Very low118 Ų118143.6 Ų143.677%0.76682%0.816SS**PPolyproline II helixtrans-82.8146.5161.9-12.430.4000112.6
777R34.8Very low34.6Very low232 Ų232146.8 Ų146.888%0.87582%0.819SS**PPolyproline II helixtrans-79.5135.4-175.9-69.1175.3169.8-171.3-3.3113.7T779R777-T779 PolarHBondContact O-N 3.27Å
778R38.6Very low34.6Very low235 Ų235146.3 Ų146.389%0.88780%0.804SS**  trans5.7110.3137.8-174.3-170.8-168.5-149.75.6116
779T35.1Very low34.5Very low135 Ų135149.6 Ų149.683%0.82880%0.802SS**  trans-127.4147.6159.350.30000110.2R777R777-T779 PolarHBondContact O-N 3.27Å
780T34.9Very low34.6Very low110 Ų110146.3 Ų146.368%0.67579%0.791SS**PPolyproline II helixtrans-103.9134.7-176.845.40000111.1
781P36Very low35Very low127 Ų127149.3 Ų149.383%0.82580%0.798SS**PPolyproline II helixtrans-71.3142.9164.731.1-32.8000110.4
782L31.8Very low35.1Very low172 Ų172151.4 Ų151.490%0.90180%0.801SS**PPolyproline II helixtrans-84.5164.2171.5-70.2168.2000110.8
783S29.6Very low35.1Very low119 Ų119147.3 Ų147.383%0.83279%0.792SS**  trans-104.6163.5-174.9-167.30000113
784A32.2Very low35.1Very low95 Ų95147 Ų14779%0.78579%0.788SS**  trans66.1129.2177.400000115.1
785E30.3Very low35.3Very low183 Ų183146.5 Ų146.586%0.85578%0.78SS**  -138.6164.766.2-135.8-179.7173.400115.1
786I38.7Very low35.7Very low162 Ų162150 Ų15083%0.83178%0.782SS**  trans-130.3118.7178.8-68.7175000109.7
787R36.8Very low35.7Very low212 Ų212151 Ų15180%0.878%0.781SS**  trans-159.9108.8163.5-139.8149.8-169.6157.73.6110.3
788E31.9Very low36.4Very low109 Ų109147.8 Ų147.851%0.50978%0.779SS.*  9082.862.3-175-144.9-179.400113.5
789R32.2Very low36.8Very low195 Ų195145.3 Ų145.374%0.73678%0.778SS**  trans-177.1165137.8-100.1160.3-160.974.912.8113.7
790P40.7Very low37.4Very low110 Ų110143.1 Ų143.171%0.71477%0.773SS**  trans-101.6173.6-15040.5-40.1000115.8
791P40.8Very low37.6Very low133 Ų133153.3 Ų153.386%0.86480%0.799SS**  trans-79.2135.6-179.631.3-36000114
792S34.4Very low37.7Very low118 Ų118154.6 Ų154.683%0.82580%0.798SS**  trans-103.8112.4173.158.70000112.2
793H35.7Very low38Very low161 Ų161153.7 Ų153.775%0.74579%0.793SS**  trans-60.9132.2174.9164.4-75.4000114.2
794T35.6Very low38.5Very low118 Ų118155.6 Ų155.672%0.72479%0.791SS**  trans-145.397142.947.50000110.1
795L36.9Very low38.9Very low128 Ų128159.2 Ų159.267%0.6779%0.791SS**  trans-68.4154.8141.4-140.274.5000107.8
796K43.8Very low39.4Very low178 Ų178157.7 Ų157.777%0.77479%0.787SS**  trans-135.498.8169.3-82.2-165.1174.7-173.30110.1
797D38.3Very low39.5Very low139 Ų139157.4 Ų157.474%0.74378%0.784SS**  trans-62.3143.9161-49.4-80.5000109.7
798I50.2Low39.7Very low165 Ų165153.5 Ų153.585%0.84678%0.783SS**  trans-132.296164.2-59.8-178.1000106.6
799E47.9Very low40.3Very low182 Ų182156.9 Ų156.985%0.8580%0.804SS**  trans-89.7163.3167.6-170.5173.3-154.400109.9
800A46.1Very low40.9Very low89 Ų89153.8 Ų153.874%0.73681%0.81SS**  trans6698167.500000118.2
801R40.7Very low40.9Very low324 Ų324157.7 Ų157.7100%1.22382%0.818SS**  -157.10100.1-109.2178.7-176.6-171.50.8113.4

Retrieved 801 of 801 residues in 553.5 ms (Link to these results)