A0A077ZBL5_TRITR Loading...

DUF4602 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZBL5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 166 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
1M40Very low45.2Very low235 Ų235139 Ų139100%1.15880%0.797SS**  077.70-63.7-56.7163.500106.3
2S39.5Very low45.4Very low121 Ų121136.3 Ų136.385%0.84679%0.788SS**  trans-109.6101.4173.8-60.40000104.7E4S2-E4 PolarHBondContact O-N 3.16Å
3S47.2Very low45.7Very low101 Ų101139.7 Ų139.771%0.70679%0.788SS**  trans-55.3113.4173.542.90000108.7N5S3-N5 VanDerWaalsContact C-N 3.3Å; S3-N5 PolarHBondContact O-N 3.22Å
4E45.5Very low46.3Very low186 Ų186144.6 Ų144.687%0.86980%0.796SS**  trans-59.5100.5161.6-71.4176.8163.100106.5S2 A6S2-E4 PolarHBondContact O-N 3.16Å; E4-A6 PolarHBondContact O-N 3.41Å
5N47.7Very low46.6Very low139 Ų139139.9 Ų139.974%0.74378%0.777SS**  trans-6589.4163.5-78.4-14000106S3 L7S3-N5 VanDerWaalsContact C-N 3.3Å; S3-N5 PolarHBondContact O-N 3.22Å; N5-L7 PolarHBondContact O-N 3.34Å
6A45.2Very low47.6Very low81 Ų81143.4 Ų143.467%0.66979%0.786SS**  trans-58.192.5165.900000107.3E4 I8E4-A6 PolarHBondContact O-N 3.41Å; A6-I8 PolarHBondContact O-N 3.11Å
7L46.5Very low48.9Very low161 Ų161141.4 Ų141.484%0.84377%0.774SS**  trans-64.292.2158.5-113.985.1000105.3N5 P9N5-L7 PolarHBondContact O-N 3.34Å; L7-P9 WeakPolarHBondContact O-CD 3.47Å; L7-P9 VanDerWaalsContact O-N 3.15Å
8I46.3Very low50.6Low134 Ų134138.3 Ų138.369%0.68776%0.764SS**  trans-57.8115.8171.9-65.3165.3000106.4A6 L10A6-I8 PolarHBondContact O-N 3.11Å; I8-L10 PolarHBondContact O-N 3.23Å
9P46Very low52.1Low119 Ų119138.4 Ų138.477%0.77376%0.763SS**  trans-72.399.6169.829.2-28.2000106.4L7 S11L7-P9 WeakPolarHBondContact O-CD 3.47Å; L7-P9 VanDerWaalsContact O-N 3.15Å; P9-S11 VanDerWaalsContact C-N 3.31Å; P9-S11 PolarHBondContact O-N 3.5Å
10L43.9Very low53.5Low166 Ų166136.6 Ų136.687%0.86975%0.751SS**  trans-59.9101.2167-79164.6000107.2I8I8-L10 PolarHBondContact O-N 3.23Å
11S49.4Very low54.7Low86 Ų86137.9 Ų137.960%0.60175%0.745SS**  trans-54.8136.2175.3660000109.4P9 K13P9-S11 VanDerWaalsContact C-N 3.31Å; P9-S11 PolarHBondContact O-N 3.5Å; S11-K13 VanDerWaalsContact C-N 3.26Å; S11-K13 PolarHBondContact O-N 3.42Å
12P48Very low56.7Low106 Ų106131.8 Ų131.869%0.68872%0.717SS**  trans-75.775.8-17431.2-34.7000111K14P12-K14 PolarHBondContact O-N 3.36Å; P12-K14 VanDerWaalsContact O-N 3.16Å
13K48.8Very low58.6Low181 Ų181129.2 Ų129.279%0.78770%0.699SS**  trans-78.492.8161.6-72.4-169.7178.2-177.50107.6S11 S15S11-K13 VanDerWaalsContact C-N 3.26Å; S11-K13 PolarHBondContact O-N 3.42Å; K13-S15 VanDerWaalsContact C-N 3.33Å; K13-S15 PolarHBondContact O-N 3.21Å
14K53.9Low60.2Low209 Ų209129.7 Ų129.791%0.90969%0.693SS**  trans13.669.4159.2-59.9176.4-177.8-179.80114P12 Q16P12-K14 PolarHBondContact O-N 3.36Å; P12-K14 VanDerWaalsContact O-N 3.16Å; K14-Q16 PolarHBondContact O-N 3.5Å
15S51.1Low61.7Low73 Ų73123.3 Ų123.351%0.5167%0.672SS.*  trans-75128.3178.864.30000108.5K13 N17K13-S15 VanDerWaalsContact C-N 3.33Å; K13-S15 PolarHBondContact O-N 3.21Å; S15-N17 PolarHBondContact O-N 3.12Å
16Q63.3Low62.7Low197 Ų197120.2 Ų120.292%0.92166%0.66SS**SBendtrans-55.6-12.7-174.5-70.4174.7-29.200115.2K14 S18K14-Q16 PolarHBondContact O-N 3.5Å; Q16-S18 PolarHBondContact O-N 3.13Å
17N69Low63.6Low109 Ų109123 Ų12358%0.58366%0.66SS**  trans-98.982-179.6-71.1-19.4000112.1S15 L19 L20S15-N17 PolarHBondContact O-N 3.12Å; N17-L19 PolarHBondContact O-N 3.3Å; N17-L20 HydrophobicContact CB-CB 4.38Å; N17-L20 PolarHBondContact O-N 2.91Å
18S79.6Confident64.3Low85 Ų85124.8 Ų124.859%0.59466%0.66SS**Hα-helixtrans-56-32.8175.357.70000113.4Q16 L20 W21 L22Q16-S18 PolarHBondContact O-N 3.13Å; S18-L20 PolarHBondContact O-N 3.09Å; S18-W21 WeakPolarHBondContact O-CB 3.46Å; S18-W21 PolarHBondContact O-N 3.39Å; S18-L22 PolarHBondContact O-N 3.14Å
19L78.5Confident64.6Low141 Ų141126.7 Ų126.774%0.73866%0.664SS**Hα-helixtrans-64-37.2-178.6-121.6147.2000113N17 L22 S23N17-L19 PolarHBondContact O-N 3.3Å; L19-L22 PolarHBondContact O-N 3.49Å; L19-S23 PolarHBondContact O-N 3.46Å; L19-S23 PolarHBondContact O-OG 3.01Å
20L79.8Confident64.8Low102 Ų102129.4 Ų129.453%0.53466%0.663SS.*Hα-helixtrans-73-34.1178.6-145.3159.8000110.8N17 S18 S23 L24N17-L20 HydrophobicContact CB-CB 4.38Å; N17-L20 PolarHBondContact O-N 2.91Å; S18-L20 PolarHBondContact O-N 3.09Å; L20-S23 PolarHBondContact O-OG 3.02Å; L20-L24 HydrophobicContact CD2-CD1 4.08Å; L20-L24 WeakPolarHBondContact O-CB 3.45Å; L20-L24 PolarHBondContact O-N 3.37Å; L20-L24 VanDerWaalsContact O-N 3.13Å
21W79.9Confident65.1Low164 Ų164125.7 Ų125.762%0.62166%0.656SS**Hα-helixtrans-66.4-40.9172.9-121.698.2000112.1S18 A25S18-W21 WeakPolarHBondContact O-CB 3.46Å; S18-W21 PolarHBondContact O-N 3.39Å; W21-A25 VanDerWaalsContact O-CB 3.27Å; W21-A25 WeakPolarHBondContact O-CB 3.12Å; W21-A25 PolarHBondContact O-N 3.05Å
22L82Confident65.3Low107 Ų107125.8 Ų125.856%0.5666%0.657SS**Hα-helixtrans-63.2-46.3175-86.1157.9000111.6S18 L19 L24 A25 C26S18-L22 PolarHBondContact O-N 3.14Å; L19-L22 PolarHBondContact O-N 3.49Å; L22-L24 PolarHBondContact O-N 2.92Å; L22-A25 PolarHBondContact O-N 3.47Å; L22-C26 VanDerWaalsContact O-CB 3.29Å; L22-C26 WeakPolarHBondContact O-CB 3.46Å; L22-C26 PolarHBondContact O-N 3.45Å; L22-C26 PolarHBondContact O-SG 2.98Å
23S79.7Confident65.3Low67 Ų67126.5 Ų126.547%0.46966%0.66SS.*Hα-helixtrans-62.8-41.8179.263.50000112.3L19 L20 C26 E27L19-S23 PolarHBondContact O-N 3.46Å; L19-S23 PolarHBondContact O-OG 3.01Å; L20-S23 PolarHBondContact O-OG 3.02Å; S23-C26 CarbonylContact O-C 3.57Å; S23-C26 PolarHBondContact O-N 2.94Å; S23-E27 PolarHBondContact O-N 3.29Å
24L80.1Confident65.2Low111 Ų111124.9 Ų124.958%0.58166%0.659SS**Hα-helixtrans-67-36.4176.2-126.2143000112.5L20 L22 E27L20-L24 HydrophobicContact CD2-CD1 4.08Å; L20-L24 WeakPolarHBondContact O-CB 3.45Å; L20-L24 PolarHBondContact O-N 3.37Å; L20-L24 VanDerWaalsContact O-N 3.13Å; L22-L24 PolarHBondContact O-N 2.92Å; L24-E27 PolarHBondContact O-N 3.42Å
25A76.8Confident65.2Low52 Ų52118 Ų11843%0.4363%0.632SS.*Hα-helixtrans-68.7-35.9172.600000112W21 L22W21-A25 VanDerWaalsContact O-CB 3.27Å; W21-A25 WeakPolarHBondContact O-CB 3.12Å; W21-A25 PolarHBondContact O-N 3.05Å; L22-A25 PolarHBondContact O-N 3.47Å
26C70Confident65.3Low74 Ų74122.3 Ų122.350%0.565%0.649SS.*Hα-helixtrans-73.2-28.1176.2-73.90000112.7L22 S23 K28 K29L22-C26 VanDerWaalsContact O-CB 3.29Å; L22-C26 WeakPolarHBondContact O-CB 3.46Å; L22-C26 PolarHBondContact O-N 3.45Å; L22-C26 PolarHBondContact O-SG 2.98Å; S23-C26 CarbonylContact O-C 3.57Å; S23-C26 PolarHBondContact O-N 2.94Å; C26-K28 PolarHBondContact O-N 3.47Å; C26-K29 CarbonylContact O-C 3.13Å; C26-K29 VanDerWaalsContact O-CA 3.28Å; C26-K29 WeakPolarHBondContact O-CA 3.29Å; C26-K29 PolarHBondContact O-N 3.49Å
27E64.1Low65Low140 Ų140115.5 Ų115.565%0.65462%0.62SS**Hα-helixtrans-64-28.4-179.7-140.1-170.5178.200112.6S23 L24 K29 K30S23-E27 PolarHBondContact O-N 3.29Å; L24-E27 PolarHBondContact O-N 3.42Å; E27-K29 VanDerWaalsContact C-N 3.29Å; E27-K30 PolarHBondContact O-N 3.47Å
28K60.8Low64.6Low197 Ų197116.1 Ų116.186%0.85762%0.62SS**THydrogen-bonded Turntrans-77.4-14.5170.8-79-175.1177.6178.90113.9C26 K30C26-K28 PolarHBondContact O-N 3.47Å; K28-K30 VanDerWaalsContact C-N 3.34Å
29K52.8Low63.5Low174 Ų174115 Ų11576%0.75762%0.616SS**THydrogen-bonded Turntrans-100.552.1165.7-60.4-168-179.4-176.50109.2C26 E27 A31C26-K29 CarbonylContact O-C 3.13Å; C26-K29 VanDerWaalsContact O-CA 3.28Å; C26-K29 WeakPolarHBondContact O-CA 3.29Å; C26-K29 PolarHBondContact O-N 3.49Å; E27-K29 VanDerWaalsContact C-N 3.29Å; K29-A31 VanDerWaalsContact C-N 3.27Å; K29-A31 PolarHBondContact O-N 3.38Å
30K50.5Low62.3Low177 Ų177112.9 Ų112.977%0.7761%0.61SS**  trans-46.8110.5146.6-78.7-178.3-179.2-179.80104.6E27 K28 S32E27-K30 PolarHBondContact O-N 3.47Å; K28-K30 VanDerWaalsContact C-N 3.34Å; K30-S32 PolarHBondContact O-N 3.01Å
31A49.4Very low61Low87 Ų87112.4 Ų112.472%0.71961%0.608SS**  trans-39.9116.7-176.600000106.4K29 T33K29-A31 VanDerWaalsContact C-N 3.27Å; K29-A31 PolarHBondContact O-N 3.38Å; A31-T33 VanDerWaalsContact C-N 3.3Å; A31-T33 PolarHBondContact O-N 2.97Å
32S52.6Low59.8Low89 Ų89109.9 Ų109.962%0.62262%0.615SS**  trans-47.1112.2168.448.90000103.3K30 L34K30-S32 PolarHBondContact O-N 3.01Å; S32-L34 PolarHBondContact O-N 3.49Å
33T47.8Very low58.5Low121 Ų121109 Ų10974%0.74262%0.623SS**  trans-52.398173.145.40000102.9A31 N35A31-T33 VanDerWaalsContact C-N 3.3Å; A31-T33 PolarHBondContact O-N 2.97Å; T33-N35 VanDerWaalsContact C-N 3.3Å; T33-N35 PolarHBondContact O-N 3.35Å
34L47.7Very low57.1Low146 Ų146110.4 Ų110.476%0.76463%0.633SS**  trans-58.5110.7-177.2-71.8174.5000101.7S32 L36S32-L34 PolarHBondContact O-N 3.49Å; L34-L36 PolarHBondContact O-N 2.97Å
35N54Low55.6Low64 Ų64111.5 Ų111.534%0.34264%0.638SS.*  trans-57.5100.8177.2-72.8-46.4000103.3T33 V37 E38T33-N35 VanDerWaalsContact C-N 3.3Å; T33-N35 PolarHBondContact O-N 3.35Å; N35-V37 PolarHBondContact O-N 2.96Å; N35-E38 HydrophobicContact CB-CB 4.13Å; N35-E38 HydrophobicContact CB-CG 4.07Å; N35-E38 PolarHBondContact ND2-OE2 3.42Å; N35-E38 PolarHBondContact O-N 2.92Å
36L53.6Low54.2Low165 Ų165114.9 Ų114.986%0.86465%0.654SS**THydrogen-bonded Turntrans-57.6-17.6-175.3-132.1119.9000110.8L34L34-L36 PolarHBondContact O-N 2.97Å
37V55.9Low53.3Low53 Ų53116.5 Ų116.532%0.32166%0.661SS.*THydrogen-bonded Turntrans-77-22.7177-172.20000113.9N35N35-V37 PolarHBondContact O-N 2.96Å
38E60.2Low52.3Low123 Ų123118 Ų11858%0.57567%0.668SS**THydrogen-bonded Turntrans-101.7-5.6-175-71.7172.4-179.900113.6N35N35-E38 HydrophobicContact CB-CB 4.13Å; N35-E38 HydrophobicContact CB-CG 4.07Å; N35-E38 PolarHBondContact ND2-OE2 3.42Å; N35-E38 PolarHBondContact O-N 2.92Å
39A57.9Low51.6Low62 Ų62118 Ų11851%0.51267%0.667SS.*SBendtrans-60.5131.717700000110.5L41A39-L41 PolarHBondContact O-N 2.88Å
40P51.9Low51Low96 Ų96118.3 Ų118.362%0.62367%0.672SS**  trans-60.1125.4177.123.8-31.7000109.5S42 A43P40-S42 PolarHBondContact O-N 3.13Å; P40-A43 PolarHBondContact O-N 3.41Å
41L53.1Low50.5Low92 Ų92114.7 Ų114.748%0.48268%0.675SS.*G310 helixtrans-59.9-4.3-177.2-66.7171.7000114.1A39 A43 A83A39-L41 PolarHBondContact O-N 2.88Å; L41-A43 PolarHBondContact O-N 3.41Å; L41-A83 HydrophobicContact CD1-CB 4.45Å
42S55.3Low50.4Low110 Ų110115.3 Ų115.377%0.76967%0.672SS**G310 helixtrans-67.5-19.4175.352.60000113.7P40P40-S42 PolarHBondContact O-N 3.13Å
43A55.3Low49.7Very low89 Ų89116.8 Ų116.874%0.73668%0.682SS**G310 helixtrans-86.7-12.2-171.100000115.8P40 L41P40-A43 PolarHBondContact O-N 3.41Å; L41-A43 PolarHBondContact O-N 3.41Å
44S49.2Very low49.6Very low97 Ų97120.3 Ų120.368%0.67869%0.687SS**  trans-150.774.2-172.966.30000113.3
45I49.3Very low49.6Very low134 Ų134119 Ų11969%0.68769%0.69SS**  trans-127.680.4164.5-50.8176.3000108.4V47I45-V47 HydrophobicContact CG2-CG2 3.7Å
46T47.4Very low49Very low123 Ų123128 Ų12876%0.75572%0.719SS**  trans-94.1106155.147.60000107.3H48T46-H48 PolarHBondContact O-N 2.92Å; T46-H48 VanDerWaalsContact O-N 3.16Å
47V51.5Low48.7Very low107 Ų107123.7 Ų123.765%0.64872%0.715SS**  trans-73.599.1-177.6-178.90000109.5I45 K49I45-V47 HydrophobicContact CG2-CG2 3.7Å; V47-K49 HydrophobicContact CG1-CG 4.14Å
48H42.5Very low48.4Very low173 Ų173127.8 Ų127.880%0.80174%0.74SS**  trans-94.6109.7159.9-74-81.3000108.8T46 E50T46-H48 PolarHBondContact O-N 2.92Å; T46-H48 VanDerWaalsContact O-N 3.16Å; H48-E50 PolarHBondContact O-N 3.39Å
49K45Very low48Very low195 Ų195131.1 Ų131.185%0.84875%0.752SS**  trans-81.3101.8171.5-79.5176176.6174.30108.3V47V47-K49 HydrophobicContact CG1-CG 4.14Å
50E40.8Very low47.9Very low182 Ų182137.7 Ų137.785%0.8577%0.77SS**  trans-123.3117.6157-70-165.3175.600108.7H48 P52H48-E50 PolarHBondContact O-N 3.39Å; E50-P52 VanDerWaalsContact O-CD 3.31Å; E50-P52 WeakPolarHBondContact O-CD 3.4Å
51A41Very low47.8Very low101 Ų101144.7 Ų144.784%0.83578%0.783SS**  trans-94.9111.1-177.500000109.1S53A51-S53 PolarHBondContact O-N 2.92Å
52P46.2Very low48Very low100 Ų100151.3 Ų151.365%0.64980%0.802SS**  trans-83114.4172.130.5-31.3000110.2E50 F54E50-P52 VanDerWaalsContact O-CD 3.31Å; E50-P52 WeakPolarHBondContact O-CD 3.4Å; P52-F54 HydrophobicContact CB-CD2 3.92Å; P52-F54 HydrophobicContact CB-CE2 3.81Å; P52-F54 PolarHBondContact O-N 3.27Å; P52-F54 VanDerWaalsContact O-N 3.14Å
53S37.8Very low48.4Very low120 Ų120151.3 Ų151.384%0.83980%0.802SS**  trans-72.290.7169.154.30000110.3A51A51-S53 PolarHBondContact O-N 2.92Å
54F45.4Very low48.8Very low195 Ų195158.5 Ų158.586%0.85581%0.81SS**PPolyproline II helixtrans-93.3118.8169.4-82.5-76.7000111.2P52P52-F54 HydrophobicContact CB-CD2 3.92Å; P52-F54 HydrophobicContact CB-CE2 3.81Å; P52-F54 PolarHBondContact O-N 3.27Å; P52-F54 VanDerWaalsContact O-N 3.14Å
55S47.6Very low49.6Very low118 Ų118164.9 Ų164.983%0.82582%0.819SS**PPolyproline II helixtrans-79.1159.1-172.167.90000113.3
56R42.1Very low50.5Low253 Ų253168 Ų16896%0.95583%0.828SS**PPolyproline II helixtrans-59.4119.5-165.8-66.9163175.8-179.8-1.1113.9
57G46.3Very low51.5Low75 Ų75173.8 Ų173.877%0.77384%0.836SS**  trans-114.7142.7166.700000112.4
58V50.9Low52.3Low139 Ų139178.1 Ų178.184%0.84285%0.846SS**  trans-80.6133.7-151.8172.20000116.4
59K51.9Low53.7Low192 Ų192177.5 Ų177.584%0.83584%0.843SS**  trans0.8111.1151.5-60.1173.2179.6173.30118.5
60K54.6Low54.6Low201 Ų201173.1 Ų173.187%0.87484%0.835SS**  trans-110.8114.1142.4-106.4-179.9179.81750109.1R62K60-R62 PolarHBondContact O-N 3.44Å
61R51.3Low56Low242 Ų242169.9 Ų169.991%0.91383%0.827SS**  trans-64.190178.4-66.9179.387.9-169.57109.6
62R56.8Low57.4Low232 Ų232172.6 Ų172.688%0.87583%0.828SS**  trans-86.1140.3159.4-71.4-174173.7174.8-1.1108.2K60 R64K60-R62 PolarHBondContact O-N 3.44Å; R62-R64 PolarHBondContact O-N 2.92Å
63S64Low58.5Low109 Ų109170.3 Ų170.376%0.76281%0.813SS**  trans-44.5132.7-17456.30000111.6R65S63-R65 VanDerWaalsContact C-N 3.3Å; S63-R65 PolarHBondContact O-N 3.35Å
64R63Low60.7Low241 Ų241167.2 Ų167.291%0.90979%0.792SS**  trans-59.989.4-179-72.9176.9171.7167.9-4.2109R62 K66R62-R64 PolarHBondContact O-N 2.92Å; R64-K66 PolarHBondContact O-N 3.28Å
65R65.6Low62.7Low230 Ų230164.4 Ų164.487%0.86879%0.786SS**  trans-59.2125.4158.6-70.7-176177.4177.7-1.6105.8S63 R67S63-R65 VanDerWaalsContact C-N 3.3Å; S63-R65 PolarHBondContact O-N 3.35Å; R65-R67 PolarHBondContact O-N 2.91Å; R65-R67 VanDerWaalsContact O-N 3.1Å
66K68Low64.8Low201 Ų201163 Ų16387%0.87477%0.772SS**  trans-45.8121.4176.5-68.5-168.6176.2-1740107.9R64 K68R64-K66 PolarHBondContact O-N 3.28Å; K66-K68 PolarHBondContact O-N 3.23Å; K66-K68 VanDerWaalsContact O-N 3.09Å
67R69.6Low67Low243 Ų243154.1 Ų154.192%0.91774%0.743SS**  trans-54.1119174.5-87.2-179.4161.7-178.6-6.8106R65 E69R65-R67 PolarHBondContact O-N 2.91Å; R65-R67 VanDerWaalsContact O-N 3.1Å; R67-E69 PolarHBondContact O-N 2.92Å
68K67.9Low69.1Low198 Ų198155 Ų15586%0.86173%0.73SS**  trans-68.9127.5167.7-68.5-169.3175.6-170.60106.1K66K66-K68 PolarHBondContact O-N 3.23Å; K66-K68 VanDerWaalsContact O-N 3.09Å
69E71.2Confident71.1Confident160 Ų160154.2 Ų154.275%0.74872%0.72SS**  trans-45.4144.6170.1-69.5-67.314400109.9R67 V71R67-E69 PolarHBondContact O-N 2.92Å; E69-V71 PolarHBondContact O-N 2.82Å
70P65.5Low72.9Confident104 Ų104150.6 Ų150.668%0.67571%0.707SS**  trans-58.7112.417526.7-32.3000107.8N72P70-N72 PolarHBondContact O-N 3.2Å
71V68.3Low74.7Confident113 Ų113145.5 Ų145.569%0.68568%0.684SS**  trans-61.2115.7171.2179.10000105.7E69 C73E69-V71 PolarHBondContact O-N 2.82Å; V71-C73 PolarHBondContact O-N 3.34Å; V71-C73 PolarHBondContact O-SG 3.46Å
72N70.8Confident76.7Confident159 Ų159136.7 Ų136.785%0.8566%0.658SS**  trans-57.492.7169.1-70.9-27.8000107.1P70P70-N72 PolarHBondContact O-N 3.2Å
73C69.9Low78.4Confident51 Ų51126.8 Ų126.835%0.34563%0.625SS.*  trans-79.8129.9178.5-62.70000106.6V71 D77 K81V71-C73 PolarHBondContact O-N 3.34Å; V71-C73 PolarHBondContact O-SG 3.46Å; C73-D77 HydrophobicContact CB-CB 4.23Å; C73-K81 PolarHBondContact SG-NZ 3.41Å
74S84.5Confident79.8Confident55 Ų55124.1 Ų124.139%0.38560%0.602SS.*  trans-61.7157.6165.470.50000109.2V76 D77 L78S74-V76 PolarHBondContact O-N 2.98Å; S74-V76 VanDerWaalsContact O-N 3.15Å; S74-D77 WeakPolarHBondContact CB-OD2 3.37Å; S74-D77 PolarHBondContact N-OD2 3.36Å; S74-D77 VanDerWaalsContact N-OD2 3.09Å; S74-D77 PolarHBondContact O-N 3.14Å; S74-D77 VanDerWaalsContact O-N 3.14Å; S74-D77 PolarHBondContact OG-N 3.44Å; S74-D77 PolarHBondContact OG-OD2 2.98Å; S74-L78 PolarHBondContact O-N 3Å; S74-L78 VanDerWaalsContact O-N 3.11Å
75N87.9Confident81.3Confident136 Ų136118.4 Ų118.473%0.72759%0.586SS**Hα-helixtrans-55.9-32.3176-70.1-24.9000111.7L78 L79N75-L78 PolarHBondContact O-N 3.39Å; N75-L79 WeakPolarHBondContact O-CG 3.34Å; N75-L79 PolarHBondContact O-N 2.96Å; N75-L79 VanDerWaalsContact O-N 3.16Å
76V89.9Confident82.8Confident89 Ų89111.4 Ų111.454%0.53957%0.569SS.*Hα-helixtrans-67.9-48.5177.4-177.60000111S74 L78 L79 E80S74-V76 PolarHBondContact O-N 2.98Å; S74-V76 VanDerWaalsContact O-N 3.15Å; V76-L78 PolarHBondContact O-N 3.42Å; V76-L79 PolarHBondContact O-N 3.2Å; V76-L79 VanDerWaalsContact O-N 3.08Å; V76-E80 PolarHBondContact O-N 2.83Å
77D89.3Confident84.1Confident66 Ų66105.1 Ų105.135%0.35354%0.539SS..Hα-helixtrans-59-34.7177.1-60.6-48.5000112C73 S74 K81C73-D77 HydrophobicContact CB-CB 4.23Å; S74-D77 WeakPolarHBondContact CB-OD2 3.37Å; S74-D77 PolarHBondContact N-OD2 3.36Å; S74-D77 VanDerWaalsContact N-OD2 3.09Å; S74-D77 PolarHBondContact O-N 3.14Å; S74-D77 VanDerWaalsContact O-N 3.14Å; S74-D77 PolarHBondContact OG-N 3.44Å; S74-D77 PolarHBondContact OG-OD2 2.98Å; D77-K81 WeakPolarHBondContact O-CB 3.39Å; D77-K81 WeakPolarHBondContact O-CD 3.45Å; D77-K81 WeakPolarHBondContact O-CG 3.4Å; D77-K81 PolarHBondContact O-N 2.93Å
78L90.9Very high85.3Confident95 Ų9598.5 Ų98.550%0.49752%0.519SS..Hα-helixtrans-67.2-42.9177.4-176.462.6000111.4S74 N75 V76 K81 T82S74-L78 PolarHBondContact O-N 3Å; S74-L78 VanDerWaalsContact O-N 3.11Å; N75-L78 PolarHBondContact O-N 3.39Å; V76-L78 PolarHBondContact O-N 3.42Å; L78-K81 PolarHBondContact O-N 3.34Å; L78-T82 HydrophobicContact CD1-CG2 4.38Å; L78-T82 WeakPolarHBondContact O-CB 3.49Å; L78-T82 VanDerWaalsContact O-CG2 3.26Å; L78-T82 WeakPolarHBondContact O-CG2 3.28Å; L78-T82 PolarHBondContact O-N 2.94Å; L78-T82 PolarHBondContact O-OG1 2.89Å
79L92.2Very high86.6Confident121 Ų12196.9 Ų96.963%0.63451%0.512SS*.Hα-helixtrans-64-42.6176.6-70.7173.2000111.9N75 V76 T82 A83N75-L79 WeakPolarHBondContact O-CG 3.34Å; N75-L79 PolarHBondContact O-N 2.96Å; N75-L79 VanDerWaalsContact O-N 3.16Å; V76-L79 PolarHBondContact O-N 3.2Å; V76-L79 VanDerWaalsContact O-N 3.08Å; L79-T82 WeakPolarHBondContact CA-OG1 3.32Å; L79-T82 PolarHBondContact O-N 2.87Å; L79-T82 PolarHBondContact O-OG1 3.41Å; L79-A83 WeakPolarHBondContact O-CB 3.39Å; L79-A83 PolarHBondContact O-N 2.97Å
80E90.4Very high87.7Confident117 Ų11791.1 Ų91.155%0.54749%0.492SS..Hα-helixtrans-65.2-42.7177.4-68.6-175.717700112.1V76 A83 L84V76-E80 PolarHBondContact O-N 2.83Å; E80-A83 PolarHBondContact O-N 3.37Å; E80-L84 WeakPolarHBondContact O-CB 3.44Å; E80-L84 PolarHBondContact O-N 2.92Å
81K91.4Very high89.1Confident94 Ų9486.5 Ų86.541%0.40946%0.462SS..Hα-helixtrans-62.9-43.5176.3-75.4169.3-171.8170.10111.9C73 D77 L78 L84 Q85C73-K81 PolarHBondContact SG-NZ 3.41Å; D77-K81 WeakPolarHBondContact O-CB 3.39Å; D77-K81 WeakPolarHBondContact O-CD 3.45Å; D77-K81 WeakPolarHBondContact O-CG 3.4Å; D77-K81 PolarHBondContact O-N 2.93Å; L78-K81 PolarHBondContact O-N 3.34Å; K81-L84 PolarHBondContact O-N 3.19Å; K81-Q85 VanDerWaalsContact O-CG 3.31Å; K81-Q85 WeakPolarHBondContact O-CG 3.3Å; K81-Q85 PolarHBondContact O-N 3.44Å
82T94.2Very high90.4Very high57 Ų5785.3 Ų85.335%0.3546%0.455SS..Hα-helixtrans-66.5-42.4178.251.90000111.3L78 L79 L84 Q85 V86L78-T82 HydrophobicContact CD1-CG2 4.38Å; L78-T82 WeakPolarHBondContact O-CB 3.49Å; L78-T82 VanDerWaalsContact O-CG2 3.26Å; L78-T82 WeakPolarHBondContact O-CG2 3.28Å; L78-T82 PolarHBondContact O-N 2.94Å; L78-T82 PolarHBondContact O-OG1 2.89Å; L79-T82 WeakPolarHBondContact CA-OG1 3.32Å; L79-T82 PolarHBondContact O-N 2.87Å; L79-T82 PolarHBondContact O-OG1 3.41Å; T82-L84 VanDerWaalsContact C-N 3.33Å; T82-L84 PolarHBondContact O-N 2.91Å; T82-Q85 PolarHBondContact O-N 3.48Å; T82-V86 WeakPolarHBondContact O-CG2 3.42Å; T82-V86 PolarHBondContact O-N 3.48Å
83A92.5Very high91.4Very high24 Ų2482 Ų8220%0.19844%0.444CS..Hα-helixtrans-60.2-42174.500000112.3L41 L79 E80 V86 R87L41-A83 HydrophobicContact CD1-CB 4.45Å; L79-A83 WeakPolarHBondContact O-CB 3.39Å; L79-A83 PolarHBondContact O-N 2.97Å; E80-A83 PolarHBondContact O-N 3.37Å; A83-V86 PolarHBondContact O-N 2.97Å; A83-R87 WeakPolarHBondContact O-CB 3.43Å; A83-R87 WeakPolarHBondContact O-CD 3.44Å; A83-R87 VanDerWaalsContact O-CG 3.29Å; A83-R87 WeakPolarHBondContact O-CG 3.33Å; A83-R87 PolarHBondContact O-N 2.79Å; A83-R87 VanDerWaalsContact O-N 3.07Å
84L93.5Very high92.6Very high53 Ų5382.3 Ų82.328%0.27744%0.441SS..Hα-helixtrans-62.2-44.7174.3179.8154.5000111.5E80 K81 T82 R87 Q88 F110E80-L84 WeakPolarHBondContact O-CB 3.44Å; E80-L84 PolarHBondContact O-N 2.92Å; K81-L84 PolarHBondContact O-N 3.19Å; T82-L84 VanDerWaalsContact C-N 3.33Å; T82-L84 PolarHBondContact O-N 2.91Å; L84-R87 PolarHBondContact O-N 2.85Å; L84-Q88 HydrophobicContact CD2-CG 4.06Å; L84-Q88 VanDerWaalsContact CD2-NE2 3.27Å; L84-Q88 WeakPolarHBondContact O-CB 3.26Å; L84-Q88 WeakPolarHBondContact O-CG 3.46Å; L84-Q88 PolarHBondContact O-N 3.14Å; L84-F110 HydrophobicContact CB-CE2 4.38Å; L84-F110 HydrophobicContact CB-CZ 3.86Å; L84-F110 HydrophobicContact CD1-CE1 4.17Å; L84-F110 HydrophobicContact CD1-CE2 3.98Å; L84-F110 HydrophobicContact CD1-CZ 3.76Å; L84-F110 HydrophobicContact CG-CE2 4.17Å; L84-F110 HydrophobicContact CG-CZ 4.05Å
85Q94.8Very high93Very high121 Ų12188 Ų8857%0.56546%0.459SS*.Hα-helixtrans-62.5-44.1177.8-75.4174.6-0.700112.2K81 T82 R87 Q88 F89K81-Q85 VanDerWaalsContact O-CG 3.31Å; K81-Q85 WeakPolarHBondContact O-CG 3.3Å; K81-Q85 PolarHBondContact O-N 3.44Å; T82-Q85 PolarHBondContact O-N 3.48Å; Q85-R87 VanDerWaalsContact C-N 3.32Å; Q85-R87 PolarHBondContact O-N 3Å; Q85-Q88 PolarHBondContact O-N 3.49Å; Q85-F89 WeakPolarHBondContact O-CB 3.31Å; Q85-F89 PolarHBondContact O-N 3.13Å
86V95.2Very high93.3Very high83 Ų8384.3 Ų84.350%0.50345%0.452SS..Hα-helixtrans-58.4-45.8175.9169.90000110.6T82 A83 F89 A90T82-V86 WeakPolarHBondContact O-CG2 3.42Å; T82-V86 PolarHBondContact O-N 3.48Å; A83-V86 PolarHBondContact O-N 2.97Å; V86-F89 WeakPolarHBondContact O-CB 3.32Å; V86-F89 PolarHBondContact O-N 2.95Å; V86-A90 PolarHBondContact O-N 2.83Å
87R95.3Very high93.5Very high68 Ų6887.7 Ų87.726%0.25746%0.462SS..Hα-helixtrans-64.2-42.5177.3-74.2168.2173.2175.81.5112.6A83 L84 Q85 F89 A90 I91 L106 L109A83-R87 WeakPolarHBondContact O-CB 3.43Å; A83-R87 WeakPolarHBondContact O-CD 3.44Å; A83-R87 VanDerWaalsContact O-CG 3.29Å; A83-R87 WeakPolarHBondContact O-CG 3.33Å; A83-R87 PolarHBondContact O-N 2.79Å; A83-R87 VanDerWaalsContact O-N 3.07Å; L84-R87 PolarHBondContact O-N 2.85Å; Q85-R87 VanDerWaalsContact C-N 3.32Å; Q85-R87 PolarHBondContact O-N 3Å; R87-F89 VanDerWaalsContact C-N 3.32Å; R87-F89 PolarHBondContact O-N 2.91Å; R87-A90 PolarHBondContact O-N 3.31Å; R87-I91 WeakPolarHBondContact O-CG1 3.43Å; R87-I91 PolarHBondContact O-N 3.36Å; R87-I91 VanDerWaalsContact O-N 3.16Å; R87-L106 HydrophobicContact CB-CD1 3.73Å; R87-L106 HydrophobicContact CB-CD2 3.77Å; R87-L106 HydrophobicContact CB-CG 4.42Å; R87-L106 HydrophobicContact CG-CD2 4.01Å; R87-L109 VanDerWaalsContact CZ-CD2 3.4Å
88Q95.8Very high93.7Very high105 Ų10590.1 Ų90.149%0.49147%0.471SS..Hα-helixtrans-63.4-39.4175.3-75.6-178.9-13.200112.1L84 Q85 I91 T92L84-Q88 HydrophobicContact CD2-CG 4.06Å; L84-Q88 VanDerWaalsContact CD2-NE2 3.27Å; L84-Q88 WeakPolarHBondContact O-CB 3.26Å; L84-Q88 WeakPolarHBondContact O-CG 3.46Å; L84-Q88 PolarHBondContact O-N 3.14Å; Q85-Q88 PolarHBondContact O-N 3.49Å; Q88-I91 PolarHBondContact O-N 3.29Å; Q88-T92 PolarHBondContact O-N 3.3Å; Q88-T92 VanDerWaalsContact O-N 3.12Å; Q88-T92 PolarHBondContact O-OG1 3.46Å
89F95.6Very high93.9Very high163 Ų16388.3 Ų88.372%0.71546%0.46SS*.Hα-helixtrans-63.4-46.1176.1-179.7-100.4000111.1Q85 V86 R87 I91 T92Q85-F89 WeakPolarHBondContact O-CB 3.31Å; Q85-F89 PolarHBondContact O-N 3.13Å; V86-F89 WeakPolarHBondContact O-CB 3.32Å; V86-F89 PolarHBondContact O-N 2.95Å; R87-F89 VanDerWaalsContact C-N 3.32Å; R87-F89 PolarHBondContact O-N 2.91Å; F89-I91 PolarHBondContact O-N 2.96Å; F89-T92 WeakPolarHBondContact O-CB 3.5Å; F89-T92 PolarHBondContact O-N 3.47Å
90A94.7Very high94Very high40 Ų4088.8 Ų88.833%0.33146%0.459SS..Hα-helixtrans-57.6-36.2175.700000112.8V86 R87 T92 S93V86-A90 PolarHBondContact O-N 2.83Å; R87-A90 PolarHBondContact O-N 3.31Å; A90-T92 VanDerWaalsContact C-N 3.32Å; A90-S93 PolarHBondContact O-OG 2.99Å
91I94.9Very high94.2Very high7 Ų786.5 Ų86.54%0.03645%0.453CS..Hα-helixtrans-72.3-27.3175.5-71.1-176.9000112.7R87 Q88 F89 S93 M94 K99 H102 K103 L106R87-I91 WeakPolarHBondContact O-CG1 3.43Å; R87-I91 PolarHBondContact O-N 3.36Å; R87-I91 VanDerWaalsContact O-N 3.16Å; Q88-I91 PolarHBondContact O-N 3.29Å; F89-I91 PolarHBondContact O-N 2.96Å; I91-S93 VanDerWaalsContact C-N 3.26Å; I91-S93 PolarHBondContact O-N 2.9Å; I91-M94 WeakPolarHBondContact O-CB 3.43Å; I91-M94 PolarHBondContact O-N 3.16Å; I91-M94 VanDerWaalsContact O-N 3.13Å; I91-K99 HydrophobicContact CG2-CG 3.75Å; I91-H102 VanDerWaalsContact CD1-C 3.44Å; I91-H102 HydrophobicContact CD1-CB 3.71Å; I91-H102 WeakPolarHBondContact CD1-O 3.46Å; I91-H102 HydrophobicContact CG1-CB 3.72Å; I91-K103 HydrophobicContact CD1-CG 4.2Å; I91-K103 HydrophobicContact CG2-CD 4.5Å; I91-K103 HydrophobicContact CG2-CG 3.72Å; I91-L106 HydrophobicContact CD1-CB 4.47Å; I91-L106 HydrophobicContact CD1-CD1 3.19Å; I91-L106 HydrophobicContact CD1-CG 3.63Å; I91-L106 HydrophobicContact CG1-CD1 4.21Å
92T94.2Very high94.4Very high88 Ų8883.2 Ų83.254%0.5444%0.439SS..Hα-helixtrans-65.1-33.7-170.8-64.90000112Q88 F89 A90 M94 K99Q88-T92 PolarHBondContact O-N 3.3Å; Q88-T92 VanDerWaalsContact O-N 3.12Å; Q88-T92 PolarHBondContact O-OG1 3.46Å; F89-T92 WeakPolarHBondContact O-CB 3.5Å; F89-T92 PolarHBondContact O-N 3.47Å; A90-T92 VanDerWaalsContact C-N 3.32Å; T92-M94 VanDerWaalsContact C-N 3.31Å; T92-M94 PolarHBondContact O-N 3.24Å; T92-K99 PolarHBondContact O-NZ 3.01Å
93S93.1Very high94.4Very high90 Ų9086 Ų8663%0.62945%0.446SS*.THydrogen-bonded Turntrans-68.7-24.6176.157.70000113.9A90 I91A90-S93 PolarHBondContact O-OG 2.99Å; I91-S93 VanDerWaalsContact C-N 3.26Å; I91-S93 PolarHBondContact O-N 2.9Å
94M93.7Very high94.5Very high56 Ų5688.1 Ų88.128%0.27646%0.459SS..  trans-72.5154.6-179.3-52.4-57.9-73.400111.7I91 T92 E98 K99I91-M94 WeakPolarHBondContact O-CB 3.43Å; I91-M94 PolarHBondContact O-N 3.16Å; I91-M94 VanDerWaalsContact O-N 3.13Å; T92-M94 VanDerWaalsContact C-N 3.31Å; T92-M94 PolarHBondContact O-N 3.24Å; M94-E98 HydrophobicContact CE-CB 4.03Å; M94-E98 WeakPolarHBondContact CE-OE2 3.33Å; M94-K99 HydrophobicContact CB-CB 4.02Å; M94-K99 HydrophobicContact CB-CG 4.44Å; M94-K99 WeakPolarHBondContact O-CD 3.49Å
95K93.9Very high94.6Very high176 Ų17689.6 Ų89.677%0.76546%0.464SS*.  trans-125155.8-178.5-64.5179.9-177.8174.50111.5
96G93.8Very high94.7Very high57 Ų5784.8 Ų84.859%0.58844%0.442SS*.Hα-helixtrans58.2-139.3173.200000114.4E98 K99G96-E98 VanDerWaalsContact C-N 3.33Å; G96-E98 PolarHBondContact O-N 3.28Å; G96-K99 WeakPolarHBondContact O-CB 3.28Å; G96-K99 PolarHBondContact O-N 3.5Å
97E93.5Very high94.7Very high160 Ų16083 Ų8375%0.74844%0.436SS*.Hα-helixtrans-62.6-36.4-176-61.5-176.2172.700112.6K99 E100 T101E97-K99 VanDerWaalsContact C-N 3.27Å; E97-K99 PolarHBondContact O-N 2.94Å; E97-E100 WeakPolarHBondContact O-CB 3.19Å; E97-E100 PolarHBondContact O-N 3.43Å; E97-T101 WeakPolarHBondContact O-CG2 3.44Å; E97-T101 PolarHBondContact O-N 3.02Å
98E93.6Very high94.7Very high117 Ų11783.5 Ų83.555%0.54744%0.443SS..Hα-helixtrans-57.7-43.3178.4-64.1179.1171.600111.1M94 G96 E100 T101 H102M94-E98 HydrophobicContact CE-CB 4.03Å; M94-E98 WeakPolarHBondContact CE-OE2 3.33Å; G96-E98 VanDerWaalsContact C-N 3.33Å; G96-E98 PolarHBondContact O-N 3.28Å; E98-E100 VanDerWaalsContact C-N 3.32Å; E98-E100 PolarHBondContact O-N 3.13Å; E98-T101 PolarHBondContact O-N 3.45Å; E98-T101 PolarHBondContact O-OG1 2.88Å; E98-H102 PolarHBondContact O-CD2 3.04Å; E98-H102 PolarHBondContact O-N 3.29Å
99K95.7Very high94.7Very high57 Ų5783.5 Ų83.525%0.24845%0.445CS..Hα-helixtrans-59.4-43.6176-169.9179.1-161.21450111.9I91 T92 M94 G96 E97 K103I91-K99 HydrophobicContact CG2-CG 3.75Å; T92-K99 PolarHBondContact O-NZ 3.01Å; M94-K99 HydrophobicContact CB-CB 4.02Å; M94-K99 HydrophobicContact CB-CG 4.44Å; M94-K99 WeakPolarHBondContact O-CD 3.49Å; G96-K99 WeakPolarHBondContact O-CB 3.28Å; G96-K99 PolarHBondContact O-N 3.5Å; E97-K99 VanDerWaalsContact C-N 3.27Å; E97-K99 PolarHBondContact O-N 2.94Å; K99-K103 VanDerWaalsContact O-CG 3.29Å; K99-K103 WeakPolarHBondContact O-CG 3.38Å; K99-K103 PolarHBondContact O-N 2.91Å
100E93.7Very high94.5Very high131 Ų13180.9 Ų80.961%0.61243%0.434SS*.Hα-helixtrans-65.9-44.6179.7-63.6-173.5169.600111.2E97 E98 H102 K103 S104E97-E100 WeakPolarHBondContact O-CB 3.19Å; E97-E100 PolarHBondContact O-N 3.43Å; E98-E100 VanDerWaalsContact C-N 3.32Å; E98-E100 PolarHBondContact O-N 3.13Å; E100-H102 PolarHBondContact O-N 3.23Å; E100-K103 WeakPolarHBondContact O-CB 3.5Å; E100-K103 PolarHBondContact O-N 3.4Å; E100-S104 PolarHBondContact O-N 2.8Å; E100-S104 PolarHBondContact O-OG 3.05Å
101T94.3Very high94.5Very high70 Ų7082 Ų8243%0.42945%0.45SS..Hα-helixtrans-59.9-44.8177.765.40000111.9E97 E98 K103 S104 K105E97-T101 WeakPolarHBondContact O-CG2 3.44Å; E97-T101 PolarHBondContact O-N 3.02Å; E98-T101 PolarHBondContact O-N 3.45Å; E98-T101 PolarHBondContact O-OG1 2.88Å; T101-K103 PolarHBondContact O-N 3.45Å; T101-S104 PolarHBondContact O-N 2.94Å; T101-K105 WeakPolarHBondContact O-CG 3.41Å; T101-K105 PolarHBondContact O-N 3.5Å
102H95.8Very high94.6Very high25 Ų2584 Ų8412%0.11647%0.467CS..Hα-helixtrans-67.6-35.3177.4-74.9-74.2000112.6I91 E98 E100 K105 L106I91-H102 VanDerWaalsContact CD1-C 3.44Å; I91-H102 HydrophobicContact CD1-CB 3.71Å; I91-H102 WeakPolarHBondContact CD1-O 3.46Å; I91-H102 HydrophobicContact CG1-CB 3.72Å; E98-H102 PolarHBondContact O-CD2 3.04Å; E98-H102 PolarHBondContact O-N 3.29Å; E100-H102 PolarHBondContact O-N 3.23Å; H102-K105 PolarHBondContact O-N 3.33Å; H102-L106 PolarHBondContact O-N 2.82Å
103K95.6Very high94.7Very high115 Ų11589.3 Ų89.350%0.548%0.482SS..Hα-helixtrans-62.6-44.2173.2-76.8177.4177.7-179.30111.3I91 K99 E100 T101 L106 A107I91-K103 HydrophobicContact CD1-CG 4.2Å; I91-K103 HydrophobicContact CG2-CD 4.5Å; I91-K103 HydrophobicContact CG2-CG 3.72Å; K99-K103 VanDerWaalsContact O-CG 3.29Å; K99-K103 WeakPolarHBondContact O-CG 3.38Å; K99-K103 PolarHBondContact O-N 2.91Å; E100-K103 WeakPolarHBondContact O-CB 3.5Å; E100-K103 PolarHBondContact O-N 3.4Å; T101-K103 PolarHBondContact O-N 3.45Å; K103-L106 PolarHBondContact O-N 3.27Å; K103-A107 PolarHBondContact O-N 3.24Å
104S94.5Very high94.8Very high68 Ų6889.1 Ų89.148%0.47648%0.479SS..Hα-helixtrans-62.1-43.9175.1-62.30000111.5E100 T101 L106 A107 I108E100-S104 PolarHBondContact O-N 2.8Å; E100-S104 PolarHBondContact O-OG 3.05Å; T101-S104 PolarHBondContact O-N 2.94Å; S104-L106 VanDerWaalsContact C-N 3.34Å; S104-L106 PolarHBondContact O-N 2.84Å; S104-A107 PolarHBondContact O-N 3.39Å; S104-I108 WeakPolarHBondContact O-CD1 3.46Å; S104-I108 VanDerWaalsContact O-CG1 3.23Å; S104-I108 WeakPolarHBondContact O-CG1 3.49Å; S104-I108 PolarHBondContact O-N 3.42Å
105K95.4Very high94.7Very high85 Ų8590.9 Ų90.937%0.3750%0.503SS..Hα-helixtrans-57.7-45.1174.7-72.3175.8-177.7-175.60111.8T101 H102 I108 L109T101-K105 WeakPolarHBondContact O-CG 3.41Å; T101-K105 PolarHBondContact O-N 3.5Å; H102-K105 PolarHBondContact O-N 3.33Å; K105-I108 PolarHBondContact O-N 2.84Å; K105-L109 WeakPolarHBondContact O-CB 3.27Å; K105-L109 PolarHBondContact O-N 3.22Å
106L96Very high94.7Very high19 Ų1992.6 Ų92.610%0.09951%0.51CS..Hα-helixtrans-62.7-45.4174.9-74.5-169.2000112.6R87 I91 H102 K103 S104 I108 L109 F110R87-L106 HydrophobicContact CB-CD1 3.73Å; R87-L106 HydrophobicContact CB-CD2 3.77Å; R87-L106 HydrophobicContact CB-CG 4.42Å; R87-L106 HydrophobicContact CG-CD2 4.01Å; I91-L106 HydrophobicContact CD1-CB 4.47Å; I91-L106 HydrophobicContact CD1-CD1 3.19Å; I91-L106 HydrophobicContact CD1-CG 3.63Å; I91-L106 HydrophobicContact CG1-CD1 4.21Å; H102-L106 PolarHBondContact O-N 2.82Å; K103-L106 PolarHBondContact O-N 3.27Å; S104-L106 VanDerWaalsContact C-N 3.34Å; S104-L106 PolarHBondContact O-N 2.84Å; L106-I108 VanDerWaalsContact C-N 3.27Å; L106-I108 PolarHBondContact O-N 3.24Å; L106-L109 HydrophobicContact CD2-CD2 4.39Å; L106-L109 WeakPolarHBondContact O-CB 3.33Å; L106-L109 PolarHBondContact O-N 2.92Å; L106-F110 VanDerWaalsContact O-CD2 3.25Å; L106-F110 WeakPolarHBondContact O-CD2 3.29Å; L106-F110 PolarHBondContact O-N 2.64Å; L106-F110 VanDerWaalsContact O-N 3.07Å
107A95.6Very high94.6Very high46 Ų46100.1 Ų100.138%0.3852%0.521SS..Hα-helixtrans-58.8-42.9177.900000111.1K103 S104 F110 G111 A112K103-A107 PolarHBondContact O-N 3.24Å; S104-A107 PolarHBondContact O-N 3.39Å; A107-F110 CarbonylContact O-C 3.46Å; A107-F110 PolarHBondContact O-N 2.78Å; A107-G111 PolarHBondContact O-N 3.38Å; A107-A112 VanDerWaalsContact C-CB 3.5Å; A107-A112 HydrophobicContact CB-CB 3.86Å; A107-A112 WeakPolarHBondContact O-CB 3.28Å; A107-A112 PolarHBondContact O-N 3.29Å
108I96.2Very high94.6Very high79 Ų7997.8 Ų97.841%0.40552%0.519SS..Hα-helixtrans-62.9-42.8176.9-66.8162.1000111.2S104 K105 L106 F110 G111 A112 P114S104-I108 WeakPolarHBondContact O-CD1 3.46Å; S104-I108 VanDerWaalsContact O-CG1 3.23Å; S104-I108 WeakPolarHBondContact O-CG1 3.49Å; S104-I108 PolarHBondContact O-N 3.42Å; K105-I108 PolarHBondContact O-N 2.84Å; L106-I108 VanDerWaalsContact C-N 3.27Å; L106-I108 PolarHBondContact O-N 3.24Å; I108-F110 PolarHBondContact O-N 2.76Å; I108-G111 PolarHBondContact O-N 3.04Å; I108-A112 WeakPolarHBondContact CA-O 3.49Å; I108-P114 HydrophobicContact CD1-CB 3.88Å; I108-P114 HydrophobicContact CG1-CB 4.31Å
109L94.1Very high94.5Very high104 Ų104101.8 Ų101.855%0.54553%0.531SS..Hα-helixtrans-59.4-33.1176-177.259.8000112.6R87 K105 L106 G111R87-L109 VanDerWaalsContact CZ-CD2 3.4Å; K105-L109 WeakPolarHBondContact O-CB 3.27Å; K105-L109 PolarHBondContact O-N 3.22Å; L106-L109 HydrophobicContact CD2-CD2 4.39Å; L106-L109 WeakPolarHBondContact O-CB 3.33Å; L106-L109 PolarHBondContact O-N 2.92Å; L109-G111 VanDerWaalsContact C-N 3.29Å; L109-G111 PolarHBondContact O-N 3.29Å
110F92.8Very high94.5Very high109 Ų109102.9 Ų102.948%0.47854%0.542SS..THydrogen-bonded Turntrans-88.716.7173.5-74-75.5000113.7L84 L106 A107 I108L84-F110 HydrophobicContact CB-CE2 4.38Å; L84-F110 HydrophobicContact CB-CZ 3.86Å; L84-F110 HydrophobicContact CD1-CE1 4.17Å; L84-F110 HydrophobicContact CD1-CE2 3.98Å; L84-F110 HydrophobicContact CD1-CZ 3.76Å; L84-F110 HydrophobicContact CG-CE2 4.17Å; L84-F110 HydrophobicContact CG-CZ 4.05Å; L106-F110 VanDerWaalsContact O-CD2 3.25Å; L106-F110 WeakPolarHBondContact O-CD2 3.29Å; L106-F110 PolarHBondContact O-N 2.64Å; L106-F110 VanDerWaalsContact O-N 3.07Å; A107-F110 CarbonylContact O-C 3.46Å; A107-F110 PolarHBondContact O-N 2.78Å; I108-F110 PolarHBondContact O-N 2.76Å
111G94.9Very high94.7Very high64 Ų6499 Ų9966%0.6653%0.526SS*.THydrogen-bonded Turntrans91.94.2171.600000115.7A107 I108 L109A107-G111 PolarHBondContact O-N 3.38Å; I108-G111 PolarHBondContact O-N 3.04Å; L109-G111 VanDerWaalsContact C-N 3.29Å; L109-G111 PolarHBondContact O-N 3.29Å
112A96.1Very high94.8Very high47 Ų47103 Ų10339%0.38853%0.534SS..PPolyproline II helixtrans-66.1142171.500000110.7A107 I108A107-A112 VanDerWaalsContact C-CB 3.5Å; A107-A112 HydrophobicContact CB-CB 3.86Å; A107-A112 WeakPolarHBondContact O-CB 3.28Å; A107-A112 PolarHBondContact O-N 3.29Å; I108-A112 WeakPolarHBondContact CA-O 3.49Å
113K96.2Very high94.8Very high200 Ų200109.8 Ų109.887%0.8756%0.563SS**PPolyproline II helixtrans-75.2136.3175.5-68.1-179.1178.4175.60110.1
114P95.2Very high94.9Very high86 Ų86109.7 Ų109.756%0.55857%0.565SS**PPolyproline II helixtrans-62.5148.6174.526.4-34.1000111I108 K116I108-P114 HydrophobicContact CD1-CB 3.88Å; I108-P114 HydrophobicContact CG1-CB 4.31Å; P114-K116 PolarHBondContact O-N 3.04Å
115A92.2Very high95Very high94 Ų94108.2 Ų108.278%0.77755%0.551SS**PPolyproline II helixtrans-64.3127.8174.100000110.2
116K93.6Very high95.2Very high211 Ų211109.6 Ų109.692%0.91756%0.557SS**SBendtrans-73.5-28.2-178.2-65.7-175.4178.5-1770113.4P114P114-K116 PolarHBondContact O-N 3.04Å
117R92.5Very high95.3Very high216 Ų216112.3 Ų112.382%0.81557%0.574SS**SBendtrans-138.5143.7-176.1-67-177.5178.1168.2-0108.9
118P92Very high95.3Very high110 Ų110116 Ų11671%0.71458%0.584SS**  trans-63.1152.117228.7-34.5000110
119Y92.7Very high95.4Very high201 Ų201118.6 Ų118.679%0.78859%0.589SS**  trans-58.8142.9167.4171.9-98.5000109.7N121Y119-N121 HydrophobicContact CE1-CB 4.48Å
120V95.2Very high95.6Very high81 Ų81118.9 Ų118.949%0.49159%0.587SS.*  trans-136.5129176.4-176.10000109.6Y122 L125V120-Y122 PolarHBondContact O-N 3.32Å; V120-L125 HydrophobicContact CG1-CB 3.92Å; V120-L125 HydrophobicContact CG1-CD1 3.51Å; V120-L125 HydrophobicContact CG1-CG 4.36Å
121N97Very high95.8Very high49 Ų49118.6 Ų118.626%0.26259%0.59SS.*  trans-70.9112.8171.3-174.9-11.2000110.1Y119 K123 E124 L125Y119-N121 HydrophobicContact CE1-CB 4.48Å; N121-K123 VanDerWaalsContact C-N 3.28Å; N121-K123 PolarHBondContact O-N 3.42Å; N121-K123 WeakPolarHBondContact OD1-CB 3.28Å; N121-K123 PolarHBondContact OD1-N 2.9Å; N121-E124 HydrophobicContact CB-CB 4.32Å; N121-E124 HydrophobicContact CB-CG 4.27Å; N121-E124 PolarHBondContact ND2-OE1 2.98Å; N121-E124 PolarHBondContact O-N 3.48Å; N121-L125 WeakPolarHBondContact O-CB 3.38Å; N121-L125 PolarHBondContact O-N 2.84Å
122Y96.4Very high96Very high153 Ų153120 Ų12060%0.658%0.579SS**Hα-helixtrans-66-29.5-176.7-170.3-106.9000113.4V120 L125 K126V120-Y122 PolarHBondContact O-N 3.32Å; Y122-L125 HydrophobicContact CD2-CD2 3.95Å; Y122-L125 HydrophobicContact CE2-CD2 4.01Å; Y122-K126 WeakPolarHBondContact O-CB 3.2Å; Y122-K126 PolarHBondContact O-N 2.87Å
123K97.5Very high96.1Very high168 Ų168125 Ų12573%0.7359%0.592SS**Hα-helixtrans-63.6-49.1178.2-65.8-177179.2-179.90110.5N121 K126 V127N121-K123 VanDerWaalsContact C-N 3.28Å; N121-K123 PolarHBondContact O-N 3.42Å; N121-K123 WeakPolarHBondContact OD1-CB 3.28Å; N121-K123 PolarHBondContact OD1-N 2.9Å; K123-K126 PolarHBondContact O-N 2.79Å; K123-V127 WeakPolarHBondContact O-CG2 3.49Å; K123-V127 PolarHBondContact O-N 3.15Å
124E97.1Very high96.1Very high114 Ų114118.2 Ų118.253%0.53357%0.573SS.*Hα-helixtrans-64.8-45.9177.3-68.7166.2-152.400111.4N121 K126 V127 Q128N121-E124 HydrophobicContact CB-CB 4.32Å; N121-E124 HydrophobicContact CB-CG 4.27Å; N121-E124 PolarHBondContact ND2-OE1 2.98Å; N121-E124 PolarHBondContact O-N 3.48Å; E124-K126 VanDerWaalsContact C-N 3.27Å; E124-K126 PolarHBondContact O-N 3.13Å; E124-V127 PolarHBondContact O-N 2.71Å; E124-V127 VanDerWaalsContact O-N 3.14Å; E124-Q128 WeakPolarHBondContact O-CG 3.44Å; E124-Q128 PolarHBondContact O-N 2.89Å
125L97.3Very high96.2Very high36 Ų36121.1 Ų121.119%0.18858%0.577CS.*Hα-helixtrans-62.5-33.8179.2172.7149.9000112.3V120 N121 Y122 R129V120-L125 HydrophobicContact CG1-CB 3.92Å; V120-L125 HydrophobicContact CG1-CD1 3.51Å; V120-L125 HydrophobicContact CG1-CG 4.36Å; N121-L125 WeakPolarHBondContact O-CB 3.38Å; N121-L125 PolarHBondContact O-N 2.84Å; Y122-L125 HydrophobicContact CD2-CD2 3.95Å; Y122-L125 HydrophobicContact CE2-CD2 4.01Å; L125-R129 HydrophobicContact CD2-CG 4.45Å; L125-R129 VanDerWaalsContact CD2-CZ 3.41Å; L125-R129 VanDerWaalsContact CD2-NE 3.3Å; L125-R129 WeakPolarHBondContact O-CB 3.41Å; L125-R129 VanDerWaalsContact O-CG 3.28Å; L125-R129 WeakPolarHBondContact O-CG 3.32Å; L125-R129 PolarHBondContact O-N 3.3Å
126K97.9Very high96.4Very high114 Ų114123.9 Ų123.950%0.49657%0.567SS.*Hα-helixtrans-64.1-45.9173.9-174.7179.7178.9-176.70111.4Y122 K123 E124 R129 Q130Y122-K126 WeakPolarHBondContact O-CB 3.2Å; Y122-K126 PolarHBondContact O-N 2.87Å; K123-K126 PolarHBondContact O-N 2.79Å; E124-K126 VanDerWaalsContact C-N 3.27Å; E124-K126 PolarHBondContact O-N 3.13Å; K126-R129 PolarHBondContact O-N 3.49Å; K126-Q130 WeakPolarHBondContact O-CG 3.43Å; K126-Q130 PolarHBondContact O-N 3.16Å
127V98Very high96.5Very high77 Ų77118.4 Ų118.447%0.46755%0.548SS..Hα-helixtrans-62.5-45.7177.4175.40000110.5K123 E124 R129 Q130 L131K123-V127 WeakPolarHBondContact O-CG2 3.49Å; K123-V127 PolarHBondContact O-N 3.15Å; E124-V127 PolarHBondContact O-N 2.71Å; E124-V127 VanDerWaalsContact O-N 3.14Å; V127-R129 VanDerWaalsContact C-N 3.32Å; V127-R129 PolarHBondContact O-N 3.36Å; V127-Q130 PolarHBondContact O-N 3.33Å; V127-Q130 VanDerWaalsContact O-N 3.13Å; V127-L131 HydrophobicContact CG1-CD1 4.15Å; V127-L131 WeakPolarHBondContact O-CG 3.29Å; V127-L131 PolarHBondContact O-N 2.98Å
128Q97.6Very high96.7Very high124 Ų124113.4 Ų113.458%0.57953%0.534SS*.Hα-helixtrans-58-43.2175.4-70.3175.83.400112.1E124 Q130 L131 Q132E124-Q128 WeakPolarHBondContact O-CG 3.44Å; E124-Q128 PolarHBondContact O-N 2.89Å; Q128-Q130 PolarHBondContact O-N 3.25Å; Q128-L131 PolarHBondContact O-N 3.03Å; Q128-Q132 WeakPolarHBondContact O-CB 3.48Å; Q128-Q132 PolarHBondContact O-N 3.21Å
129R97.8Very high96.8Very high133 Ų133110.3 Ų110.350%0.50252%0.517SS..Hα-helixtrans-63.5-39.2175.9-76.6177.9-178.4-177.72.1112.4L125 K126 V127 Q132 K133L125-R129 HydrophobicContact CD2-CG 4.45Å; L125-R129 VanDerWaalsContact CD2-CZ 3.41Å; L125-R129 VanDerWaalsContact CD2-NE 3.3Å; L125-R129 WeakPolarHBondContact O-CB 3.41Å; L125-R129 VanDerWaalsContact O-CG 3.28Å; L125-R129 WeakPolarHBondContact O-CG 3.32Å; L125-R129 PolarHBondContact O-N 3.3Å; K126-R129 PolarHBondContact O-N 3.49Å; V127-R129 VanDerWaalsContact C-N 3.32Å; V127-R129 PolarHBondContact O-N 3.36Å; R129-Q132 PolarHBondContact O-N 2.91Å; R129-K133 WeakPolarHBondContact O-CB 3.33Å; R129-K133 VanDerWaalsContact O-CG 3.28Å; R129-K133 WeakPolarHBondContact O-CG 3.4Å; R129-K133 PolarHBondContact O-N 3.12Å
130Q98Very high97Very high110 Ų110105.9 Ų105.951%0.51451%0.507SS..Hα-helixtrans-66-46.7176.9-74.4174.4-2400111.6K126 V127 Q128 Q132 K133 A134K126-Q130 WeakPolarHBondContact O-CG 3.43Å; K126-Q130 PolarHBondContact O-N 3.16Å; V127-Q130 PolarHBondContact O-N 3.33Å; V127-Q130 VanDerWaalsContact O-N 3.13Å; Q128-Q130 PolarHBondContact O-N 3.25Å; Q130-Q132 VanDerWaalsContact C-N 3.31Å; Q130-Q132 PolarHBondContact O-N 3.18Å; Q130-K133 PolarHBondContact O-N 2.94Å; Q130-A134 PolarHBondContact O-N 2.91Å
131L97.6Very high97Very high102 Ų102108.2 Ų108.253%0.53451%0.51SS..Hα-helixtrans-59.6-42.6174.8-70.8172.8000111.5V127 Q128 A134 K135V127-L131 HydrophobicContact CG1-CD1 4.15Å; V127-L131 WeakPolarHBondContact O-CG 3.29Å; V127-L131 PolarHBondContact O-N 2.98Å; Q128-L131 PolarHBondContact O-N 3.03Å; L131-A134 PolarHBondContact O-N 3.18Å; L131-K135 WeakPolarHBondContact O-CB 3.44Å; L131-K135 WeakPolarHBondContact O-CG 3.45Å; L131-K135 PolarHBondContact O-N 3.41Å
132Q97.9Very high96.8Very high95 Ų95110.9 Ų110.944%0.44452%0.521SS..Hα-helixtrans-64.8-40.7176.7-167.5-177.132.300111.9Q128 R129 Q130 K135 R136Q128-Q132 WeakPolarHBondContact O-CB 3.48Å; Q128-Q132 PolarHBondContact O-N 3.21Å; R129-Q132 PolarHBondContact O-N 2.91Å; Q130-Q132 VanDerWaalsContact C-N 3.31Å; Q130-Q132 PolarHBondContact O-N 3.18Å; Q132-K135 PolarHBondContact O-N 3.32Å; Q132-R136 WeakPolarHBondContact O-CB 3.23Å; Q132-R136 VanDerWaalsContact O-CG 3.26Å; Q132-R136 WeakPolarHBondContact O-CG 3.49Å; Q132-R136 PolarHBondContact O-N 3.36Å
133K97.8Very high96.7Very high151 Ų151108.7 Ų108.766%0.65752%0.517SS*.Hα-helixtrans-62-44.6174.8-78.2178.4178.2-171.40111.6R129 Q130 R136 L137R129-K133 WeakPolarHBondContact O-CB 3.33Å; R129-K133 VanDerWaalsContact O-CG 3.28Å; R129-K133 WeakPolarHBondContact O-CG 3.4Å; R129-K133 PolarHBondContact O-N 3.12Å; Q130-K133 PolarHBondContact O-N 2.94Å; K133-R136 PolarHBondContact O-N 2.92Å; K133-L137 WeakPolarHBondContact O-CB 3.42Å; K133-L137 PolarHBondContact O-N 2.94Å
134A96.8Very high96.5Very high57 Ų57104.3 Ų104.347%0.47151%0.505SS..Hα-helixtrans-60.9-48.1177.100000111.7Q130 L131 R136 L137 E138Q130-A134 PolarHBondContact O-N 2.91Å; L131-A134 PolarHBondContact O-N 3.18Å; A134-R136 PolarHBondContact O-N 3.37Å; A134-L137 PolarHBondContact O-N 3.33Å; A134-E138 PolarHBondContact O-N 3.33Å
135K97.1Very high96.3Very high147 Ų147103.2 Ų103.264%0.63950%0.503SS*.Hα-helixtrans-58.6-43.2175.6-72.8177.3179.8-175.40112.5L131 Q132 E138 A139L131-K135 WeakPolarHBondContact O-CB 3.44Å; L131-K135 WeakPolarHBondContact O-CG 3.45Å; L131-K135 PolarHBondContact O-N 3.41Å; Q132-K135 PolarHBondContact O-N 3.32Å; K135-E138 PolarHBondContact O-N 3.44Å; K135-A139 WeakPolarHBondContact O-CB 3.35Å; K135-A139 PolarHBondContact O-N 3.38Å
136R96.9Very high96.1Very high152 Ų152105.5 Ų105.557%0.57451%0.514SS*.Hα-helixtrans-62.9-42.7176.7-75.5176.2-175.5-173.84.3111.7Q132 K133 A134 A139 L140Q132-R136 WeakPolarHBondContact O-CB 3.23Å; Q132-R136 VanDerWaalsContact O-CG 3.26Å; Q132-R136 WeakPolarHBondContact O-CG 3.49Å; Q132-R136 PolarHBondContact O-N 3.36Å; K133-R136 PolarHBondContact O-N 2.92Å; A134-R136 PolarHBondContact O-N 3.37Å; R136-A139 PolarHBondContact O-N 3.49Å; R136-L140 VanDerWaalsContact O-CG 3.31Å; R136-L140 WeakPolarHBondContact O-CG 3.43Å; R136-L140 PolarHBondContact O-N 3.3Å
137L96.3Very high95.8Very high97 Ų97106.9 Ų106.951%0.50852%0.52SS..Hα-helixtrans-66.1-40.6179-178.8146000111.9K133 A134 L140 K141K133-L137 WeakPolarHBondContact O-CB 3.42Å; K133-L137 PolarHBondContact O-N 2.94Å; A134-L137 PolarHBondContact O-N 3.33Å; L137-L140 PolarHBondContact O-N 2.92Å; L137-K141 HydrophobicContact CD2-CD 3.87Å; L137-K141 VanDerWaalsContact CD2-CE 3.43Å; L137-K141 HydrophobicContact CD2-CG 4.47Å; L137-K141 WeakPolarHBondContact O-CG 3.34Å; L137-K141 PolarHBondContact O-N 3.26Å
138E95.4Very high95.4Very high111 Ų111106.6 Ų106.652%0.51952%0.515SS..Hα-helixtrans-63.2-46.4174.3-167.7-172.1165.800111.7A134 K135 L140 K141 Q142A134-E138 PolarHBondContact O-N 3.33Å; K135-E138 PolarHBondContact O-N 3.44Å; E138-L140 VanDerWaalsContact C-N 3.3Å; E138-L140 PolarHBondContact O-N 2.8Å; E138-K141 WeakPolarHBondContact O-CB 3.42Å; E138-K141 PolarHBondContact O-N 3.22Å; E138-K141 VanDerWaalsContact O-N 3.14Å; E138-Q142 WeakPolarHBondContact O-CG 3.48Å; E138-Q142 PolarHBondContact O-N 2.89Å; E138-Q142 PolarHBondContact OE1-NE2 3.37Å
139A95.4Very high95Very high44 Ų44108.2 Ų108.236%0.36452%0.521SS..Hα-helixtrans-58.3-42.2175.900000111.8K135 R136 Q142 M143K135-A139 WeakPolarHBondContact O-CB 3.35Å; K135-A139 PolarHBondContact O-N 3.38Å; R136-A139 PolarHBondContact O-N 3.49Å; A139-Q142 PolarHBondContact O-N 2.95Å; A139-M143 VanDerWaalsContact O-CG 3.3Å; A139-M143 WeakPolarHBondContact O-CG 3.29Å; A139-M143 PolarHBondContact O-N 3.31Å
140L95.6Very high94.6Very high109 Ų109110.2 Ų110.257%0.57153%0.528SS*.Hα-helixtrans-62.8-43.8175.1-72.7173.3000112.1R136 L137 E138 Q142 M143 V144R136-L140 VanDerWaalsContact O-CG 3.31Å; R136-L140 WeakPolarHBondContact O-CG 3.43Å; R136-L140 PolarHBondContact O-N 3.3Å; L137-L140 PolarHBondContact O-N 2.92Å; E138-L140 VanDerWaalsContact C-N 3.3Å; E138-L140 PolarHBondContact O-N 2.8Å; L140-Q142 VanDerWaalsContact C-N 3.34Å; L140-Q142 PolarHBondContact O-N 2.85Å; L140-M143 PolarHBondContact O-N 3.22Å; L140-V144 WeakPolarHBondContact O-CG2 3.5Å; L140-V144 PolarHBondContact O-N 2.88Å
141K94.8Very high94.2Very high129 Ų129107.7 Ų107.756%0.56152%0.522SS*.Hα-helixtrans-59.6-44.3175.1-75177174.1177.10111.5L137 E138 V144 N145L137-K141 HydrophobicContact CD2-CD 3.87Å; L137-K141 VanDerWaalsContact CD2-CE 3.43Å; L137-K141 HydrophobicContact CD2-CG 4.47Å; L137-K141 WeakPolarHBondContact O-CG 3.34Å; L137-K141 PolarHBondContact O-N 3.26Å; E138-K141 WeakPolarHBondContact O-CB 3.42Å; E138-K141 PolarHBondContact O-N 3.22Å; E138-K141 VanDerWaalsContact O-N 3.14Å; K141-V144 PolarHBondContact O-N 3.5Å; K141-N145 WeakPolarHBondContact O-CB 3.47Å; K141-N145 VanDerWaalsContact O-CG 3.26Å; K141-N145 PolarHBondContact O-N 3.33Å; K141-N145 PolarHBondContact O-ND2 3.2Å
142Q94.3Very high93.6Very high105 Ų105109.9 Ų109.949%0.49153%0.528SS..Hα-helixtrans-62.5-44.7176.6-68.4178.2700111.6E138 A139 L140 V144 N145 I146E138-Q142 WeakPolarHBondContact O-CG 3.48Å; E138-Q142 PolarHBondContact O-N 2.89Å; E138-Q142 PolarHBondContact OE1-NE2 3.37Å; A139-Q142 PolarHBondContact O-N 2.95Å; L140-Q142 VanDerWaalsContact C-N 3.34Å; L140-Q142 PolarHBondContact O-N 2.85Å; Q142-V144 PolarHBondContact O-N 2.92Å; Q142-N145 PolarHBondContact O-N 3.28Å; Q142-I146 VanDerWaalsContact O-CG1 3.28Å; Q142-I146 WeakPolarHBondContact O-CG1 3.25Å; Q142-I146 PolarHBondContact O-N 3.07Å
143M93.4Very high93Very high107 Ų107110.7 Ų110.753%0.52753%0.531SS..Hα-helixtrans-60.6-42.5175.9-72.8179.774.500112.5A139 L140 I146 K147A139-M143 VanDerWaalsContact O-CG 3.3Å; A139-M143 WeakPolarHBondContact O-CG 3.29Å; A139-M143 PolarHBondContact O-N 3.31Å; L140-M143 PolarHBondContact O-N 3.22Å; M143-I146 PolarHBondContact O-N 3.19Å; M143-K147 WeakPolarHBondContact O-CG 3.34Å; M143-K147 PolarHBondContact O-N 3.33Å
144V93.5Very high92.4Very high77 Ų77112.5 Ų112.547%0.46753%0.534SS..Hα-helixtrans-63.4-45.2175.91710000110.6L140 K141 Q142 I146 K147 I148L140-V144 WeakPolarHBondContact O-CG2 3.5Å; L140-V144 PolarHBondContact O-N 2.88Å; K141-V144 PolarHBondContact O-N 3.5Å; Q142-V144 PolarHBondContact O-N 2.92Å; V144-I146 VanDerWaalsContact C-N 3.34Å; V144-I146 PolarHBondContact O-N 2.89Å; V144-K147 WeakPolarHBondContact O-CB 3.12Å; V144-K147 PolarHBondContact O-N 3.49Å; V144-K147 VanDerWaalsContact O-N 3.13Å; V144-I148 HydrophobicContact CG1-CD1 3.68Å; V144-I148 HydrophobicContact CG1-CG1 4.32Å; V144-I148 WeakPolarHBondContact O-CG1 3.31Å; V144-I148 PolarHBondContact O-N 2.94Å
145N93Very high91.7Very high91 Ų91117 Ų11749%0.48754%0.543SS..Hα-helixtrans-60.3-41.7176.8-73.9-18.9000112.3K141 Q142 I148 K149K141-N145 WeakPolarHBondContact O-CB 3.47Å; K141-N145 VanDerWaalsContact O-CG 3.26Å; K141-N145 PolarHBondContact O-N 3.33Å; K141-N145 PolarHBondContact O-ND2 3.2Å; Q142-N145 PolarHBondContact O-N 3.28Å; N145-I148 PolarHBondContact O-N 3.4Å; N145-K149 WeakPolarHBondContact O-CB 3.36Å; N145-K149 WeakPolarHBondContact O-CG 3.37Å; N145-K149 PolarHBondContact O-N 3.14Å
146I92.5Very high91Very high83 Ų83111.7 Ų111.743%0.42653%0.529SS..Hα-helixtrans-63.2-44.2174.9-66.5165000110.4Q142 M143 V144 I148 K149 R150Q142-I146 VanDerWaalsContact O-CG1 3.28Å; Q142-I146 WeakPolarHBondContact O-CG1 3.25Å; Q142-I146 PolarHBondContact O-N 3.07Å; M143-I146 PolarHBondContact O-N 3.19Å; V144-I146 VanDerWaalsContact C-N 3.34Å; V144-I146 PolarHBondContact O-N 2.89Å; I146-I148 PolarHBondContact O-N 3.07Å; I146-K149 PolarHBondContact O-N 3.43Å; I146-R150 HydrophobicContact CG2-CG 4.37Å; I146-R150 WeakPolarHBondContact O-CB 3.39Å; I146-R150 VanDerWaalsContact O-CG 3.29Å; I146-R150 WeakPolarHBondContact O-CG 3.26Å; I146-R150 PolarHBondContact O-N 2.9Å
147K91.7Very high90.2Very high143 Ų143110.2 Ų110.262%0.62253%0.527SS*.Hα-helixtrans-61.1-43.8176.8-75.6179.8-179.5-177.90111.9M143 V144 R150 S151M143-K147 WeakPolarHBondContact O-CG 3.34Å; M143-K147 PolarHBondContact O-N 3.33Å; V144-K147 WeakPolarHBondContact O-CB 3.12Å; V144-K147 PolarHBondContact O-N 3.49Å; V144-K147 VanDerWaalsContact O-N 3.13Å; K147-R150 PolarHBondContact O-N 3.16Å; K147-S151 PolarHBondContact O-N 2.87Å; K147-S151 PolarHBondContact O-OG 2.96Å
148I90.4Very high89.4Confident72 Ų72113.3 Ų113.337%0.36954%0.537SS..Hα-helixtrans-64.6-45.1177.3-66167.1000111V144 N145 I146 R150 S151 K152V144-I148 HydrophobicContact CG1-CD1 3.68Å; V144-I148 HydrophobicContact CG1-CG1 4.32Å; V144-I148 WeakPolarHBondContact O-CG1 3.31Å; V144-I148 PolarHBondContact O-N 2.94Å; N145-I148 PolarHBondContact O-N 3.4Å; I146-I148 PolarHBondContact O-N 3.07Å; I148-R150 PolarHBondContact O-N 2.96Å; I148-S151 PolarHBondContact O-N 3.4Å; I148-S151 PolarHBondContact O-OG 3.4Å; I148-K152 HydrophobicContact CG2-CD 4.19Å; I148-K152 WeakPolarHBondContact O-CG 3.47Å; I148-K152 PolarHBondContact O-N 3.43Å
149K89.4Confident88.7Confident158 Ų158115.8 Ų115.869%0.68755%0.545SS*.Hα-helixtrans-61.7-43.2176.8-74.4-179.4179.7-175.30111.5N145 I146 K152 H153N145-K149 WeakPolarHBondContact O-CB 3.36Å; N145-K149 WeakPolarHBondContact O-CG 3.37Å; N145-K149 PolarHBondContact O-N 3.14Å; I146-K149 PolarHBondContact O-N 3.43Å; K149-K152 PolarHBondContact O-N 2.94Å; K149-H153 WeakPolarHBondContact O-CB 3.31Å; K149-H153 PolarHBondContact O-N 3.44Å
150R89.2Confident87.9Confident174 Ų174123.6 Ų123.666%0.65757%0.565SS**Hα-helixtrans-63.2-42.3176.6-74.5177.2179.4-177.71.3112.4I146 K147 I148 H153 R154I146-R150 HydrophobicContact CG2-CG 4.37Å; I146-R150 WeakPolarHBondContact O-CB 3.39Å; I146-R150 VanDerWaalsContact O-CG 3.29Å; I146-R150 WeakPolarHBondContact O-CG 3.26Å; I146-R150 PolarHBondContact O-N 2.9Å; K147-R150 PolarHBondContact O-N 3.16Å; I148-R150 PolarHBondContact O-N 2.96Å; R150-H153 PolarHBondContact O-N 2.93Å; R150-R154 WeakPolarHBondContact O-CG 3.4Å; R150-R154 PolarHBondContact O-N 3.04Å
151S88.5Confident87.1Confident57 Ų57125.9 Ų125.940%0.39957%0.571SS.*Hα-helixtrans-68-40.9179.173.20000112K147 I148 R154 K155K147-S151 PolarHBondContact O-N 2.87Å; K147-S151 PolarHBondContact O-OG 2.96Å; I148-S151 PolarHBondContact O-N 3.4Å; I148-S151 PolarHBondContact O-OG 3.4Å; S151-R154 PolarHBondContact O-N 2.77Å; S151-K155 PolarHBondContact O-N 3.02Å
152K86.4Confident86.4Confident149 Ų149126.8 Ų126.865%0.64858%0.575SS**Hα-helixtrans-60.8-45.2172.9-72.4-178.3179.6-1750111.8I148 K149 R154 K155 G156I148-K152 HydrophobicContact CG2-CD 4.19Å; I148-K152 WeakPolarHBondContact O-CG 3.47Å; I148-K152 PolarHBondContact O-N 3.43Å; K149-K152 PolarHBondContact O-N 2.94Å; K152-R154 PolarHBondContact O-N 2.91Å; K152-K155 PolarHBondContact O-N 3.18Å; K152-G156 PolarHBondContact O-N 3.41Å
153H84.9Confident85.8Confident111 Ų111127 Ų12751%0.51458%0.583SS.*Hα-helixtrans-63.8-39.4177.9-171.453.2000112.7K149 R150 G156 K157K149-H153 WeakPolarHBondContact O-CB 3.31Å; K149-H153 PolarHBondContact O-N 3.44Å; R150-H153 PolarHBondContact O-N 2.93Å; H153-G156 PolarHBondContact O-N 3.45Å; H153-K157 VanDerWaalsContact CE1-CE 3.46Å; H153-K157 WeakPolarHBondContact CE1-CE 3.34Å; H153-K157 WeakPolarHBondContact NE2-CE 3.38Å; H153-K157 PolarHBondContact NE2-NZ 3.16Å; H153-K157 PolarHBondContact O-N 3.08Å
154R85Confident85Confident190 Ų190131 Ų13172%0.71760%0.597SS**Hα-helixtrans-63.2-44173.7-75.2-179.8175.2-169.1-1.9112.2R150 S151 K152 K157 K158R150-R154 WeakPolarHBondContact O-CG 3.4Å; R150-R154 PolarHBondContact O-N 3.04Å; S151-R154 PolarHBondContact O-N 2.77Å; K152-R154 PolarHBondContact O-N 2.91Å; R154-K157 PolarHBondContact O-N 3.4Å; R154-K158 PolarHBondContact O-N 3.21Å; R154-K158 VanDerWaalsContact O-N 3.14Å
155K83Confident84.1Confident152 Ų152137.9 Ų137.966%0.66162%0.615SS**Hα-helixtrans-63.9-43176.6-73.2-175179.1-174.50111.9S151 K152 K158 K159S151-K155 PolarHBondContact O-N 3.02Å; K152-K155 PolarHBondContact O-N 3.18Å; K155-K158 PolarHBondContact O-N 3.11Å; K155-K159 PolarHBondContact O-N 3.07Å; K155-K159 VanDerWaalsContact O-N 3.09Å
156G81Confident82.5Confident34 Ų34143.9 Ų143.935%0.35164%0.64SS.*Hα-helixtrans-61.5-42.9176.700000113.4K152 H153 K159 R160K152-G156 PolarHBondContact O-N 3.41Å; H153-G156 PolarHBondContact O-N 3.45Å; G156-K159 PolarHBondContact O-N 3.09Å; G156-R160 PolarHBondContact O-N 3.1Å; G156-R160 VanDerWaalsContact O-N 3.13Å
157K79.8Confident82Confident121 Ų121147 Ų14753%0.52665%0.651SS.*Hα-helixtrans-63-39.7174.9-78.9179.9161.9167.60112.8H153 R154 K161H153-K157 VanDerWaalsContact CE1-CE 3.46Å; H153-K157 WeakPolarHBondContact CE1-CE 3.34Å; H153-K157 WeakPolarHBondContact NE2-CE 3.38Å; H153-K157 PolarHBondContact NE2-NZ 3.16Å; H153-K157 PolarHBondContact O-N 3.08Å; R154-K157 PolarHBondContact O-N 3.4Å; K157-K161 WeakPolarHBondContact O-CG 3.16Å; K157-K161 PolarHBondContact O-N 3.14Å
158K80.9Confident81.5Confident163 Ų163147.2 Ų147.271%0.70965%0.652SS**Hα-helixtrans-64.4-42.9175.9-73.6-173.6178.6-169.30112.2R154 K155 K161 K162R154-K158 PolarHBondContact O-N 3.21Å; R154-K158 VanDerWaalsContact O-N 3.14Å; K155-K158 PolarHBondContact O-N 3.11Å; K158-K161 PolarHBondContact O-N 3.19Å; K158-K162 PolarHBondContact O-N 3.46Å
159K79.4Confident81Confident162 Ų162151.3 Ų151.370%0.70467%0.668SS**Hα-helixtrans-62.7-46.9177.4-72.2-169.3176.3-168.60112.3K155 G156 K161 K162 V163K155-K159 PolarHBondContact O-N 3.07Å; K155-K159 VanDerWaalsContact O-N 3.09Å; G156-K159 PolarHBondContact O-N 3.09Å; K159-K161 VanDerWaalsContact C-N 3.32Å; K159-K161 PolarHBondContact O-N 3.15Å; K159-K162 PolarHBondContact O-N 2.63Å; K159-K162 VanDerWaalsContact O-N 3.11Å; K159-V163 PolarHBondContact O-N 3.17Å; K159-V163 VanDerWaalsContact O-N 3.12Å
160R79.1Confident80.5Confident208 Ų208150.9 Ų150.979%0.78567%0.667SS**Hα-helixtrans-60.5-37.9177.7-71.6-176.5177.6-178-1.5113.1G156 K162 V163 K164G156-R160 PolarHBondContact O-N 3.1Å; G156-R160 VanDerWaalsContact O-N 3.13Å; R160-K162 VanDerWaalsContact C-N 3.34Å; R160-K162 PolarHBondContact O-N 3.09Å; R160-V163 PolarHBondContact O-N 3.28Å; R160-K164 PolarHBondContact O-N 2.76Å; R160-K164 VanDerWaalsContact O-N 3.16Å
161K79.1Confident79.9Confident157 Ų157149.5 Ų149.568%0.68367%0.667SS**Hα-helixtrans-67.2-30.3175.2-74-173178.3-167.10113.5K157 K158 K159 R165K157-K161 WeakPolarHBondContact O-CG 3.16Å; K157-K161 PolarHBondContact O-N 3.14Å; K158-K161 PolarHBondContact O-N 3.19Å; K159-K161 VanDerWaalsContact C-N 3.32Å; K159-K161 PolarHBondContact O-N 3.15Å; K161-R165 WeakPolarHBondContact O-CG 3.41Å
162K80.4Confident79.4Confident149 Ų149155.7 Ų155.765%0.64869%0.685SS**Hα-helixtrans-74.6-40.2176.4-169.4177.1179.4-177.50111.5K158 K159 R160 R165K158-K162 PolarHBondContact O-N 3.46Å; K159-K162 PolarHBondContact O-N 2.63Å; K159-K162 VanDerWaalsContact O-N 3.11Å; R160-K162 VanDerWaalsContact C-N 3.34Å; R160-K162 PolarHBondContact O-N 3.09Å; K162-R165 PolarHBondContact O-N 2.96Å
163V80.3Confident78.9Confident109 Ų109156.1 Ų156.166%0.66169%0.688SS**Hα-helixtrans-66-39.6177.5177.50000111.8K159 R160 R165 H166K159-V163 PolarHBondContact O-N 3.17Å; K159-V163 VanDerWaalsContact O-N 3.12Å; R160-V163 PolarHBondContact O-N 3.28Å; V163-R165 PolarHBondContact O-N 3.42Å; V163-H166 PolarHBondContact O-N 3.05Å
164K77.5Confident78.4Confident190 Ų190159.6 Ų159.683%0.82670%0.701SS**THydrogen-bonded Turntrans-71.8-7.8178.9-161.4177.4177.3179.90114.4R160R160-K164 PolarHBondContact O-N 2.76Å; R160-K164 VanDerWaalsContact O-N 3.16Å
165R74.9Confident77.8Confident223 Ų223157.1 Ų157.184%0.84270%0.7SS**THydrogen-bonded Turntrans-95.7-10.3179.2-80.1-176.6175.6-172.7-3.5113.3K161 K162 V163K161-R165 WeakPolarHBondContact O-CG 3.41Å; K162-R165 PolarHBondContact O-N 2.96Å; V163-R165 PolarHBondContact O-N 3.42Å
166H58.7Low77.4Confident217 Ų217157.5 Ų157.5100%1.00570%0.703SS**  trans-1070169.5-78.7-74000108.4V163V163-H166 PolarHBondContact O-N 3.05Å

Retrieved 166 of 166 residues in 96.9 ms (Link to these results)