A0A3Q0KSB5_SCHMA Loading...

Acid sensing ion channel 4, pituitary, putative

AlphaFold DB , UniProt , Accession A0A3Q0KSB5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,097 aa.

						>A0A3Q0KSB5_SCHMA|A0A3Q0KSB5
MKLNKKTTEITTNNHCSQNYDLTCEFHLNPGNHQSHLNLMNSSMSDSVDKSVFNPICSDSYLYDTTMNQLLTLKSATNKKPHTNTSNCSKTSFISKNHNPFNTIGYETGQVNTNHGYHPEIIKSNSKTLPLCKLQNETIPYMRTVPHFIYISNPSNNNNTNMDSNNQMTELKTFSSTKNIPSIQPVNYEQVINRNCERIIENNKYNCPNICIHSSSTSLCECKRGDSDFDFSNILFNNPTDYYPIHKIHNHQQSTHVQTEQHQQHQQYELGKFITHENRDEKCNSMASCMINYESGENLPRSKINLSKYFKCCHRLTMLLICLLIFTCLCYRIIDYFNRYEMMKSLFVYNKFHLSKRSTYKNNNDHENNKLLSMIPEEEHNISNWFTITLCNLNPIRGSALFTIQNGSKIYDNIIKIRQNEIDFNGITKKVNDNNGLISKALLKRTGHKLNEMLKFCYIGNEKCSHRNFTSVLTIYGQCYRMKLKPSVHEVRIVLDSQDYDYIIPHKGLIGFHLWIHPNEQKASYILDLKDDKDNLWKNTQNENAVDFNSLQQSNVIQSNEITVSTEFQTLIRVALDMNVHYKQTNMKNRLCSTSTGFKECEQNANQNSPTDLSEDTISFSDKYNHNVWNARIVSATQSSKATIMYSLLALRNPNLFIRNKIDLERGLRIQQRAFIQLTNETAFNELRNLVPNYDDLRNQLISIKQLLHEIEIGIWRDQREALQMTPTDSVCSKMVIGYFETLINIIQSFKDELCKLSSVDVFYTTGFFNCLNHSQPMYDYHSQLNMNNTYQFPSYNRLASLRFQAHPRTNNHTSIMHDPVNHIDMNYYENMQNPSLIELQIIQLFFTNITYNSKLKDVLRKYLKLLSAKRMQMATRTSNTRYGLSLTSHSSQSSSSTSSTNSLTSIPSSSIVLSSSPTSTSSSPLTLLSSSSGSTITSHSLQPPDRTINQNSLNNAETNQPLCISHVQIHIDSIYKVKLEKLGEAIATCLQRLELFQTSMNWIIKWNKQILKTFSIDYEHLQKVDEKNLVAFTVQFEIIGNDISMTQLTPMDKLFNPFGEIMGICFGTLSLLIPLYLIVDYFFTMKCKSSIDRQVI
					

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Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	25.3	Very low	26.2	Very low	237 Å²	237	169.6 Å²	169.6	100%	1.167	85%	0.853	S	S	*	*				0	118.8	0	-84.5	169.5	154.3	0	0	108.8	L3	M1-L3 PolarHBondContact O-N 2.96Å
2	K	24.3	Very low	26.1	Very low	210 Å²	210	166.1 Å²	166.1	91%	0.913	85%	0.846	S	S	*	*			trans	-77.2	108.8	174.9	-79.3	177.7	174.1	177.8	0	108.5	N4	K2-N4 PolarHBondContact O-N 3.24Å
3	L	28.7	Very low	26.2	Very low	167 Å²	167	164.9 Å²	164.9	87%	0.874	84%	0.843	S	S	*	*			trans	-85.8	104.9	171.7	-100.5	131.5	0	0	0	108.9	M1 K5	M1-L3 PolarHBondContact O-N 2.96Å; L3-K5 PolarHBondContact O-N 3.39Å; L3-K5 VanDerWaalsContact O-N 3.16Å
4	N	26.6	Very low	26.2	Very low	151 Å²	151	163.6 Å²	163.6	81%	0.807	84%	0.839	S	S	*	*			trans	-59.1	109.7	172.9	-78.4	-27	0	0	0	110.1	K2 K6	K2-N4 PolarHBondContact O-N 3.24Å; N4-K6 PolarHBondContact O-N 3.3Å
5	K	25.4	Very low	26.2	Very low	202 Å²	202	165.4 Å²	165.4	88%	0.878	84%	0.842	S	S	*	*			trans	-64.4	96.7	162.3	-98.4	179.7	171.6	178.6	0	108.2	L3 T7	L3-K5 PolarHBondContact O-N 3.39Å; L3-K5 VanDerWaalsContact O-N 3.16Å; K5-T7 PolarHBondContact O-N 3.26Å
6	K	26.7	Very low	26	Very low	193 Å²	193	163.1 Å²	163.1	84%	0.839	84%	0.844	S	S	*	*			trans	-79.9	93.3	161.3	-107.7	-178	175.1	-178.2	0	107.6	N4 T8	N4-K6 PolarHBondContact O-N 3.3Å; K6-T8 PolarHBondContact O-N 3.11Å
7	T	25.7	Very low	26	Very low	127 Å²	127	160.4 Å²	160.4	78%	0.779	84%	0.842	S	S	*	*			trans	-60.1	108.4	160.2	37	0	0	0	0	108.1	K5	K5-T7 PolarHBondContact O-N 3.26Å
8	T	27.3	Very low	26	Very low	119 Å²	119	160.9 Å²	160.9	73%	0.73	84%	0.839	S	S	*	*			trans	-93.5	102.8	165.2	26	0	0	0	0	106.4	K6 I10	K6-T8 PolarHBondContact O-N 3.11Å; T8-I10 PolarHBondContact O-N 2.84Å; T8-I10 VanDerWaalsContact O-N 3.16Å
9	E	25.1	Very low	26	Very low	191 Å²	191	160.1 Å²	160.1	89%	0.893	84%	0.836	S	S	*	*			trans	-57.4	111	162.9	-79.2	173.8	139.3	0	0	107.8
10	I	25.2	Very low	26	Very low	153 Å²	153	162.9 Å²	162.9	79%	0.785	84%	0.837	S	S	*	*			trans	-95.4	113.4	164.7	-63	176.3	0	0	0	105.6	T8	T8-I10 PolarHBondContact O-N 2.84Å; T8-I10 VanDerWaalsContact O-N 3.16Å
11	T	27.6	Very low	25.9	Very low	116 Å²	116	161.7 Å²	161.7	71%	0.712	83%	0.832	S	S	*	*			trans	-54.6	129.4	-178.8	30.9	0	0	0	0	112.1	N13	T11-N13 PolarHBondContact O-N 2.88Å
12	T	25.3	Very low	25.9	Very low	127 Å²	127	157.4 Å²	157.4	78%	0.779	81%	0.813	S	S	*	*			trans	-64.4	89.8	169.6	46.5	0	0	0	0	110.5
13	N	27.2	Very low	25.9	Very low	151 Å²	151	153.3 Å²	153.3	81%	0.807	81%	0.806	S	S	*	*			trans	-98.1	88.4	160.8	-85.6	-6.9	0	0	0	108.8	T11 H15	T11-N13 PolarHBondContact O-N 2.88Å; N13-H15 PolarHBondContact O-N 3.47Å
14	N	25.7	Very low	25.6	Very low	147 Å²	147	150 Å²	150	79%	0.786	80%	0.796	S	S	*	*			trans	-52.8	111.8	158	-73.6	-28.5	0	0	0	108.5
15	H	27.2	Very low	25.4	Very low	190 Å²	190	150.6 Å²	150.6	88%	0.88	79%	0.794	S	S	*	*			trans	-157.9	99.1	146.5	-100.6	24.1	0	0	0	107.8	N13 S17	N13-H15 PolarHBondContact O-N 3.47Å; H15-S17 PolarHBondContact O-N 2.72Å; H15-S17 VanDerWaalsContact O-N 3.1Å
16	C	23	Very low	25.3	Very low	129 Å²	129	149.8 Å²	149.8	87%	0.872	79%	0.79	S	S	*	*			trans	-65.4	100.7	170	-64.6	0	0	0	0	109.1	Q18	C16-Q18 PolarHBondContact O-N 3.26Å
17	S	25.3	Very low	25.1	Very low	116 Å²	116	148.9 Å²	148.9	81%	0.811	79%	0.789	S	S	*	*			trans	-82.9	93.1	161	67.8	0	0	0	0	108.3	H15 N19	H15-S17 PolarHBondContact O-N 2.72Å; H15-S17 VanDerWaalsContact O-N 3.1Å; S17-N19 PolarHBondContact O-N 2.86Å
18	Q	25.9	Very low	25.1	Very low	170 Å²	170	150.4 Å²	150.4	79%	0.794	79%	0.791	S	S	*	*			trans	-55.5	121.7	157.6	-70.4	172.2	-28.6	0	0	108.4	C16	C16-Q18 PolarHBondContact O-N 3.26Å
19	N	26.9	Very low	24.9	Very low	146 Å²	146	152.2 Å²	152.2	78%	0.781	80%	0.796	S	S	*	*			trans	175.3	78.5	147.3	-87	-9.5	0	0	0	107.4	S17 D21	S17-N19 PolarHBondContact O-N 2.86Å; N19-D21 PolarHBondContact O-N 3.02Å; N19-D21 VanDerWaalsContact O-N 3.14Å
20	Y	25.3	Very low	25.2	Very low	216 Å²	216	149 Å²	149	85%	0.847	79%	0.792	S	S	*	*			trans	-78.3	83.1	161.8	-78.8	-83	0	0	0	107.6	L22	Y20-L22 PolarHBondContact O-N 3.46Å
21	D	24.9	Very low	25.3	Very low	137 Å²	137	144.6 Å²	144.6	73%	0.733	79%	0.785	S	S	*	*			trans	-71	87.2	159.9	-93.4	-28.9	0	0	0	107.5	N19 T23	N19-D21 PolarHBondContact O-N 3.02Å; N19-D21 VanDerWaalsContact O-N 3.14Å; D21-T23 PolarHBondContact O-N 3.09Å
22	L	24.6	Very low	25.3	Very low	148 Å²	148	146.6 Å²	146.6	78%	0.775	79%	0.791	S	S	*	*			trans	-72.4	76	162.2	-82.7	153.9	0	0	0	107.7	Y20 C24	Y20-L22 PolarHBondContact O-N 3.46Å; L22-C24 VanDerWaalsContact C-N 3.26Å; L22-C24 PolarHBondContact O-N 2.77Å
23	T	23.6	Very low	25.4	Very low	123 Å²	123	150.1 Å²	150.1	76%	0.755	80%	0.798	S	S	*	*			trans	-66.2	91.9	162.9	44.1	0	0	0	0	107.9	D21 E25	D21-T23 PolarHBondContact O-N 3.09Å; T23-E25 VanDerWaalsContact C-N 3.29Å; T23-E25 PolarHBondContact O-N 3.11Å
24	C	22.9	Very low	25.4	Very low	99 Å²	99	151.5 Å²	151.5	67%	0.669	80%	0.799	S	S	*	*			trans	-63.2	93.4	164.9	-72.7	0	0	0	0	108.3	L22 F26	L22-C24 VanDerWaalsContact C-N 3.26Å; L22-C24 PolarHBondContact O-N 2.77Å; C24-F26 PolarHBondContact O-N 2.96Å
25	E	22.5	Very low	25.4	Very low	163 Å²	163	149.6 Å²	149.6	76%	0.762	80%	0.798	S	S	*	*			trans	-70.2	98.7	171.7	-149.5	171.2	-164.4	0	0	108.2	T23 H27	T23-E25 VanDerWaalsContact C-N 3.29Å; T23-E25 PolarHBondContact O-N 3.11Å; E25-H27 PolarHBondContact O-N 2.9Å; E25-H27 VanDerWaalsContact O-N 3.09Å
26	F	23.8	Very low	25.2	Very low	185 Å²	185	148.8 Å²	148.8	81%	0.811	79%	0.794	S	S	*	*			trans	-68.4	102.1	172.9	-89.6	-93.2	0	0	0	108.8	C24 L28	C24-F26 PolarHBondContact O-N 2.96Å; F26-L28 VanDerWaalsContact C-N 3.31Å; F26-L28 PolarHBondContact O-N 2.85Å
27	H	22.2	Very low	25.2	Very low	174 Å²	174	151.1 Å²	151.1	81%	0.806	80%	0.797	S	S	*	*			trans	-66.3	91	166.2	-76.9	-85.8	0	0	0	109.7	E25 N29	E25-H27 PolarHBondContact O-N 2.9Å; E25-H27 VanDerWaalsContact O-N 3.09Å; H27-N29 PolarHBondContact O-N 3.3Å
28	L	25.4	Very low	25.2	Very low	158 Å²	158	152.9 Å²	152.9	83%	0.827	80%	0.797	S	S	*	*			trans	-69.6	111.8	164.9	-81.1	160.5	0	0	0	108.3	F26 P30	F26-L28 VanDerWaalsContact C-N 3.31Å; F26-L28 PolarHBondContact O-N 2.85Å; L28-P30 WeakPolarHBondContact O-CD 3.44Å
29	N	24.1	Very low	24.9	Very low	157 Å²	157	152.6 Å²	152.6	84%	0.84	80%	0.8	S	S	*	*			trans	-56.7	112.1	179.5	-150.9	2	0	0	0	110.2	H27 G31	H27-N29 PolarHBondContact O-N 3.3Å; N29-G31 PolarHBondContact O-N 3.32Å
30	P	30.8	Very low	24.8	Very low	125 Å²	125	154.3 Å²	154.3	81%	0.812	81%	0.806	S	S	*	*			trans	-84.9	95.2	-175.7	32.4	-28.7	0	0	0	108.7	L28	L28-P30 WeakPolarHBondContact O-CD 3.44Å
31	G	26.8	Very low	24.7	Very low	60 Å²	60	151 Å²	151	62%	0.619	80%	0.803	S	S	*	*			trans	-166.8	53.8	-174.6	0	0	0	0	0	113.5	N29	N29-G31 PolarHBondContact O-N 3.32Å
32	N	28.4	Very low	24.7	Very low	157 Å²	157	149.9 Å²	149.9	84%	0.84	81%	0.806	S	S	*	*			trans	-159.5	67.6	155.7	-99.5	-16.4	0	0	0	109.4	Q34	N32-Q34 VanDerWaalsContact C-N 3.26Å; N32-Q34 PolarHBondContact O-N 3.16Å; N32-Q34 VanDerWaalsContact O-N 3.08Å
33	H	26.3	Very low	24.7	Very low	201 Å²	201	148.1 Å²	148.1	93%	0.931	81%	0.806	S	S	*	*			trans	-72.5	86.3	157.6	-82.5	-61.7	0	0	0	108.4
34	Q	28.2	Very low	24.6	Very low	180 Å²	180	149.9 Å²	149.9	84%	0.841	81%	0.807	S	S	*	*			trans	-105.5	110.2	154.4	-89.6	-173.5	-21.4	0	0	108.3	N32	N32-Q34 VanDerWaalsContact C-N 3.26Å; N32-Q34 PolarHBondContact O-N 3.16Å; N32-Q34 VanDerWaalsContact O-N 3.08Å
35	S	24.5	Very low	24.7	Very low	107 Å²	107	151 Å²	151	75%	0.748	82%	0.816	S	S	*	*			trans	-53.6	131.5	176.9	46.9	0	0	0	0	113
36	H	23.2	Very low	24.9	Very low	173 Å²	173	149.4 Å²	149.4	80%	0.801	81%	0.813	S	S	*	*			trans	41.4	93.3	145.8	-72	-86.1	0	0	0	117.3
37	L	24.4	Very low	25.1	Very low	179 Å²	179	145.9 Å²	145.9	94%	0.937	81%	0.811	S	S	*	*			trans	-133.3	132.6	143.8	-131.2	92.6	0	0	0	109.6
38	N	24	Very low	25.3	Very low	153 Å²	153	143.1 Å²	143.1	82%	0.818	81%	0.806	S	S	*	*			trans	-63	140	-160	-72.7	-44.3	0	0	0	115.6
39	L	20.8	Very low	25.4	Very low	163 Å²	163	143 Å²	143	85%	0.853	81%	0.807	S	S	*	*			trans	-53.6	127.9	160.3	-120.9	80.7	0	0	0	111
40	M	24.7	Very low	25.5	Very low	182 Å²	182	144.4 Å²	144.4	90%	0.897	81%	0.805	S	S	*	*			trans	-148	99.8	147.6	-108	-172.9	175.3	0	0	110
41	N	23.2	Very low	25.3	Very low	148 Å²	148	142.8 Å²	142.8	79%	0.791	80%	0.797	S	S	*	*			trans	35.9	111.2	143.8	-64.8	-15.4	0	0	0	120.1
42	S	24.2	Very low	25.2	Very low	113 Å²	113	145.8 Å²	145.8	79%	0.79	80%	0.803	S	S	*	*				-153.4	106.8	128.4	57.8	0	0	0	0	112.5
43	S	24.6	Very low	25	Very low	111 Å²	111	147.2 Å²	147.2	78%	0.776	80%	0.802	S	S	*	*			trans	41.2	110.9	140.4	58.9	0	0	0	0	120.8
44	M	21.4	Very low	24.8	Very low	160 Å²	160	143.8 Å²	143.8	79%	0.788	79%	0.791	S	S	*	*			trans	-10.6	131.6	142.1	-64	176.1	76.8	0	0	117.2	D46	M44-D46 WeakPolarHBondContact CE-OD2 2.99Å
45	S	26	Very low	24.6	Very low	121 Å²	121	141 Å²	141	85%	0.846	79%	0.788	S	S	*	*			trans	-142.6	99	142.7	42.3	0	0	0	0	109.1
46	D	25.6	Very low	24.5	Very low	130 Å²	130	143.9 Å²	143.9	70%	0.695	79%	0.793	S	S	*	*			trans	-64.5	124.5	168.7	-69.2	-49.5	0	0	0	110.3	M44	M44-D46 WeakPolarHBondContact CE-OD2 2.99Å
47	S	28.8	Very low	24.4	Very low	112 Å²	112	140.8 Å²	140.8	78%	0.783	79%	0.79	S	S	*	*			trans	-149.7	84.5	153	65.6	0	0	0	0	108.8	D49	S47-D49 PolarHBondContact O-N 2.81Å
48	V	25.9	Very low	24.3	Very low	115 Å²	115	137.8 Å²	137.8	70%	0.697	78%	0.784	S	S	*	*			trans	-83	92.9	171.9	176.6	0	0	0	0	107.8	K50	V48-K50 HydrophobicContact CG1-CG 4.09Å
49	D	27.5	Very low	24.2	Very low	156 Å²	156	136.8 Å²	136.8	83%	0.834	78%	0.778	S	S	*	*			trans	-92.1	99.6	165.4	-91.6	-27.1	0	0	0	109.5	S47 S51	S47-D49 PolarHBondContact O-N 2.81Å; D49-S51 PolarHBondContact O-N 3.21Å; D49-S51 VanDerWaalsContact O-N 3.12Å
50	K	26.1	Very low	24.2	Very low	186 Å²	186	134.3 Å²	134.3	81%	0.809	78%	0.775	S	S	*	*			trans	-68.3	93.4	170.9	-72	175.1	175.9	176.3	0	109.7	V48	V48-K50 HydrophobicContact CG1-CG 4.09Å
51	S	26.3	Very low	24.1	Very low	91 Å²	91	134.9 Å²	134.9	64%	0.636	77%	0.768	S	S	*	*			trans	-90.9	103.6	160.8	54.7	0	0	0	0	109.6	D49 F53	D49-S51 PolarHBondContact O-N 3.21Å; D49-S51 VanDerWaalsContact O-N 3.12Å; S51-F53 PolarHBondContact O-N 2.81Å
52	V	24.9	Very low	24	Very low	123 Å²	123	136 Å²	136	75%	0.745	77%	0.773	S	S	*	*			trans	-63.4	106.2	172.1	176.7	0	0	0	0	108.4
53	F	23.8	Very low	23.8	Very low	187 Å²	187	141 Å²	141	82%	0.82	78%	0.776	S	S	*	*			trans	-87.8	108.5	169.8	-83.9	-87.1	0	0	0	109.3	S51	S51-F53 PolarHBondContact O-N 2.81Å
54	N	23.1	Very low	23.7	Very low	130 Å²	130	142 Å²	142	70%	0.695	77%	0.774	S	S	*	*			trans	-66.8	142.6	170.1	-80.1	-17	0	0	0	110.7	I56	N54-I56 PolarHBondContact O-N 3.25Å
55	P	23.5	Very low	23.9	Very low	120 Å²	120	140.8 Å²	140.8	78%	0.779	78%	0.775	S	S	*	*			trans	-76.8	122.8	-176.9	31.8	-32.1	0	0	0	110.1
56	I	23	Very low	23.8	Very low	168 Å²	168	140 Å²	140	86%	0.862	77%	0.766	S	S	*	*			trans	-92.7	109.5	177.4	-62.6	171.7	0	0	0	107.8	N54	N54-I56 PolarHBondContact O-N 3.25Å
57	C	20.9	Very low	23.6	Very low	109 Å²	109	140.8 Å²	140.8	74%	0.736	77%	0.767	S	S	*	*			trans	-66.6	140.6	170.8	-68.5	0	0	0	0	110.9	D59	C57-D59 PolarHBondContact O-N 2.81Å
58	S	21.2	Very low	23.4	Very low	116 Å²	116	143.7 Å²	143.7	81%	0.811	77%	0.773	S	S	*	*			trans	-77.2	106.5	178.5	51.7	0	0	0	0	111.4
59	D	23.1	Very low	23.3	Very low	131 Å²	131	145.2 Å²	145.2	70%	0.701	77%	0.773	S	S	*	*			trans	-87.3	114.3	167	-77	-28.5	0	0	0	110.5	C57 Y61	C57-D59 PolarHBondContact O-N 2.81Å; D59-Y61 HydrophobicContact CB-CD2 4.44Å; D59-Y61 HydrophobicContact CB-CE2 4.08Å; D59-Y61 PolarHBondContact O-N 2.79Å
60	S	21	Very low	23.1	Very low	112 Å²	112	145.1 Å²	145.1	78%	0.783	77%	0.772	S	S	*	*			trans	-72	106.9	172.8	49	0	0	0	0	111.1
61	Y	21.1	Very low	23.1	Very low	193 Å²	193	144.1 Å²	144.1	76%	0.757	77%	0.774	S	S	*	*			trans	-99.9	109.5	167.2	-79	-82.9	0	0	0	110.6	D59 Y63	D59-Y61 HydrophobicContact CB-CD2 4.44Å; D59-Y61 HydrophobicContact CB-CE2 4.08Å; D59-Y61 PolarHBondContact O-N 2.79Å; Y61-Y63 PolarHBondContact O-N 3.34Å
62	L	21.4	Very low	23	Very low	171 Å²	171	145.1 Å²	145.1	90%	0.895	78%	0.777	S	S	*	*			trans	-59.9	123.3	163	-100.4	89	0	0	0	109	D64	L62-D64 PolarHBondContact O-N 2.89Å
63	Y	20.9	Very low	22.9	Very low	218 Å²	218	147.7 Å²	147.7	86%	0.855	79%	0.785	S	S	*	*			trans	-82.5	113.7	170.4	-97.3	-90.1	0	0	0	110.2	Y61	Y61-Y63 PolarHBondContact O-N 3.34Å
64	D	22.9	Very low	22.9	Very low	134 Å²	134	148 Å²	148	72%	0.717	79%	0.786	S	S	*	*			trans	-81.2	116.7	167.4	-165.4	-5	0	0	0	109.2	L62 T66	L62-D64 PolarHBondContact O-N 2.89Å; D64-T66 VanDerWaalsContact C-N 3.27Å; D64-T66 PolarHBondContact O-N 3Å; D64-T66 PolarHBondContact OD1-OG1 3.34Å
65	T	24.8	Very low	22.9	Very low	134 Å²	134	147.1 Å²	147.1	82%	0.822	79%	0.791	S	S	*	*			trans	-86.7	34.9	-171.3	45.1	0	0	0	0	114
66	T	23.3	Very low	23	Very low	105 Å²	105	146.3 Å²	146.3	64%	0.644	79%	0.794	S	S	*	*			trans	-124.2	78.9	175	55.1	0	0	0	0	112.4	D64	D64-T66 VanDerWaalsContact C-N 3.27Å; D64-T66 PolarHBondContact O-N 3Å; D64-T66 PolarHBondContact OD1-OG1 3.34Å
67	M	23	Very low	22.9	Very low	146 Å²	146	143.8 Å²	143.8	72%	0.719	79%	0.786	S	S	*	*			trans	-135.2	70.3	161.1	-92.8	-64.6	-165.7	0	0	110.7	Q69	M67-Q69 PolarHBondContact O-N 3.28Å; M67-Q69 HydrophobicContact SD-CB 4.21Å; M67-Q69 VanDerWaalsContact SD-CD 3.56Å; M67-Q69 HydrophobicContact SD-CG 3.65Å
68	N	23.3	Very low	23.1	Very low	172 Å²	172	145.8 Å²	145.8	92%	0.92	79%	0.789	S	S	*	*			trans	-77.9	77.9	151.5	-86.6	-29.5	0	0	0	108
69	Q	24.5	Very low	23.4	Very low	148 Å²	148	150.4 Å²	150.4	69%	0.692	80%	0.795	S	S	*	*			trans	-104.6	92.3	162.5	-81.8	-172.5	-4.4	0	0	108.8	M67 L71	M67-Q69 PolarHBondContact O-N 3.28Å; M67-Q69 HydrophobicContact SD-CB 4.21Å; M67-Q69 VanDerWaalsContact SD-CD 3.56Å; M67-Q69 HydrophobicContact SD-CG 3.65Å; Q69-L71 PolarHBondContact O-N 2.88Å
70	L	24.1	Very low	23.6	Very low	154 Å²	154	153.9 Å²	153.9	81%	0.806	80%	0.804	S	S	*	*			trans	-43.1	105.7	159.9	-151.1	87.9	0	0	0	108.2	T72	L70-T72 PolarHBondContact O-N 2.9Å; L70-T72 PolarHBondContact O-OG1 3.46Å
71	L	24.3	Very low	24.1	Very low	165 Å²	165	153.7 Å²	153.7	86%	0.864	80%	0.8	S	S	*	*			trans	-61.8	87.6	172.3	-85.4	157.6	0	0	0	108.6	Q69 L73	Q69-L71 PolarHBondContact O-N 2.88Å; L71-L73 PolarHBondContact O-N 3.29Å; L71-L73 VanDerWaalsContact O-N 3.13Å
72	T	24.3	Very low	24.3	Very low	112 Å²	112	153.6 Å²	153.6	69%	0.687	81%	0.806	S	S	*	*			trans	-69.2	100.8	163.3	21.5	0	0	0	0	106.5	L70 K74	L70-T72 PolarHBondContact O-N 2.9Å; L70-T72 PolarHBondContact O-OG1 3.46Å; T72-K74 VanDerWaalsContact C-N 3.3Å; T72-K74 PolarHBondContact O-N 2.88Å
73	L	22.9	Very low	24.4	Very low	176 Å²	176	151.2 Å²	151.2	92%	0.921	80%	0.799	S	S	*	*			trans	-57.1	95.2	166.7	-98.4	119.1	0	0	0	108.5	L71 S75	L71-L73 PolarHBondContact O-N 3.29Å; L71-L73 VanDerWaalsContact O-N 3.13Å; L73-S75 PolarHBondContact O-N 2.83Å
74	K	24.1	Very low	24.6	Very low	193 Å²	193	148.3 Å²	148.3	84%	0.839	80%	0.798	S	S	*	*			trans	-71.3	118.1	166.1	-88.2	-177.4	175.7	177.3	0	108.4	T72 A76	T72-K74 VanDerWaalsContact C-N 3.3Å; T72-K74 PolarHBondContact O-N 2.88Å; K74-A76 PolarHBondContact O-N 2.91Å; K74-A76 VanDerWaalsContact O-N 3.11Å
75	S	24	Very low	24.6	Very low	113 Å²	113	148.8 Å²	148.8	79%	0.79	81%	0.806	S	S	*	*			trans	-51.3	103	166.3	41.2	0	0	0	0	111.4	L73	L73-S75 PolarHBondContact O-N 2.83Å
76	A	25.7	Very low	24.6	Very low	102 Å²	102	147 Å²	147	84%	0.843	80%	0.799	S	S	*	*			trans	-92.4	101.3	162.6	0	0	0	0	0	108.3	K74	K74-A76 PolarHBondContact O-N 2.91Å; K74-A76 VanDerWaalsContact O-N 3.11Å
77	T	21.2	Very low	24.6	Very low	115 Å²	115	149.7 Å²	149.7	71%	0.706	81%	0.81	S	S	*	*			trans	-62.8	156.4	168.7	32.7	0	0	0	0	112
78	N	24	Very low	24.5	Very low	151 Å²	151	148.5 Å²	148.5	81%	0.807	81%	0.814	S	S	*	*			trans	88.9	88.3	165.1	-57.2	-27.3	0	0	0	118.1
79	K	27.9	Very low	24.5	Very low	213 Å²	213	145.2 Å²	145.2	93%	0.926	80%	0.804	S	S	*	*				-161.8	140.3	114.2	-101.1	166.1	-173.4	-177.2	0	110.9
80	K	27.8	Very low	24.4	Very low	204 Å²	204	148.2 Å²	148.2	89%	0.887	82%	0.815	S	S	*	*			trans	-61.9	164	-164.6	-92.1	176.3	175.7	178.1	0	115.8
81	P	30.7	Very low	24.3	Very low	108 Å²	108	147 Å²	147	70%	0.701	81%	0.814	S	S	*	*			trans	-91.5	136.8	-152.5	35.3	-31.7	0	0	0	113.1
82	H	25.6	Very low	24.2	Very low	192 Å²	192	144 Å²	144	89%	0.889	81%	0.808	S	S	*	*			trans	-101.4	108.7	152.3	-93.8	-61.3	0	0	0	108.4	N84	H82-N84 PolarHBondContact O-N 2.66Å
83	T	23.9	Very low	24.1	Very low	121 Å²	121	148.7 Å²	148.7	74%	0.742	82%	0.819	S	S	*	*			trans	-64.8	104.9	167.4	41.5	0	0	0	0	109.4
84	N	24.9	Very low	24.1	Very low	156 Å²	156	147.4 Å²	147.4	83%	0.834	81%	0.811	S	S	*	*			trans	-144	96.4	150.6	-97.5	-16.9	0	0	0	107.7	H82 S86	H82-N84 PolarHBondContact O-N 2.66Å; N84-S86 VanDerWaalsContact C-N 3.32Å; N84-S86 PolarHBondContact O-N 3.44Å
85	T	23	Very low	24.1	Very low	144 Å²	144	142.8 Å²	142.8	88%	0.883	80%	0.803	S	S	*	*			trans	-63.1	86.1	171.7	39.4	0	0	0	0	109.9
86	S	23.5	Very low	24.1	Very low	96 Å²	96	147 Å²	147	67%	0.671	81%	0.807	S	S	*	*			trans	-93.5	110.1	155.6	58.8	0	0	0	0	107.6	N84 C88	N84-S86 VanDerWaalsContact C-N 3.32Å; N84-S86 PolarHBondContact O-N 3.44Å; S86-C88 PolarHBondContact O-N 3.41Å
87	N	23.5	Very low	24.1	Very low	163 Å²	163	148.8 Å²	148.8	87%	0.872	80%	0.803	S	S	*	*			trans	-51.7	100	170.6	-80.3	-25.4	0	0	0	109.5	S89	N87-S89 PolarHBondContact O-N 2.8Å
88	C	21.8	Very low	24.3	Very low	120 Å²	120	152.2 Å²	152.2	81%	0.811	81%	0.81	S	S	*	*			trans	-68.2	101.8	165.2	-80.1	0	0	0	0	107.6	S86 K90	S86-C88 PolarHBondContact O-N 3.41Å; C88-K90 PolarHBondContact O-N 3.45Å
89	S	22.8	Very low	24.3	Very low	103 Å²	103	151.3 Å²	151.3	72%	0.72	81%	0.805	S	S	*	*			trans	-47.5	125.1	161.6	22.8	0	0	0	0	108.8	N87 T91	N87-S89 PolarHBondContact O-N 2.8Å; S89-T91 PolarHBondContact O-N 2.79Å
90	K	22.6	Very low	24.3	Very low	212 Å²	212	146 Å²	146	92%	0.922	79%	0.793	S	S	*	*			trans	-50.2	97.1	175.1	-72.6	174	175.6	175.9	0	109.6	C88 S92	C88-K90 PolarHBondContact O-N 3.45Å; K90-S92 PolarHBondContact O-N 2.76Å; K90-S92 VanDerWaalsContact O-N 3.16Å
91	T	21.4	Very low	24.3	Very low	128 Å²	128	143.9 Å²	143.9	79%	0.785	78%	0.784	S	S	*	*			trans	-67.9	108.7	162.5	41.3	0	0	0	0	106.8	S89 F93	S89-T91 PolarHBondContact O-N 2.79Å; T91-F93 PolarHBondContact O-N 3.44Å
92	S	21.9	Very low	24	Very low	103 Å²	103	145.8 Å²	145.8	72%	0.72	79%	0.788	S	S	*	*			trans	-49.2	125.9	166.1	35	0	0	0	0	108.8	K90 I94	K90-S92 PolarHBondContact O-N 2.76Å; K90-S92 VanDerWaalsContact O-N 3.16Å; S92-I94 PolarHBondContact O-N 2.92Å
93	F	22.4	Very low	23.9	Very low	210 Å²	210	142.9 Å²	142.9	92%	0.921	78%	0.784	S	S	*	*			trans	-54.2	103.7	169.7	-89.2	-96.6	0	0	0	108.4	T91 S95	T91-F93 PolarHBondContact O-N 3.44Å; F93-S95 PolarHBondContact O-N 2.95Å
94	I	22.7	Very low	23.9	Very low	149 Å²	149	144.3 Å²	144.3	76%	0.764	79%	0.785	S	S	*	*			trans	-68.3	101.8	164.9	-61.1	174.5	0	0	0	105	S92 K96	S92-I94 PolarHBondContact O-N 2.92Å; I94-K96 PolarHBondContact O-N 3.18Å
95	S	25.1	Very low	23.8	Very low	95 Å²	95	139.9 Å²	139.9	66%	0.664	78%	0.776	S	S	*	*			trans	-58.1	121.4	168.8	57	0	0	0	0	108	F93 N97	F93-S95 PolarHBondContact O-N 2.95Å; S95-N97 PolarHBondContact O-N 3.42Å
96	K	24.8	Very low	23.8	Very low	203 Å²	203	143.5 Å²	143.5	88%	0.883	78%	0.775	S	S	*	*			trans	-69.7	73.1	170.4	-79	-178.6	173.7	178.7	0	109.3	I94	I94-K96 PolarHBondContact O-N 3.18Å
97	N	24.9	Very low	23.7	Very low	139 Å²	139	148 Å²	148	74%	0.743	79%	0.785	S	S	*	*			trans	-121	66.9	161.4	-84.4	-4.3	0	0	0	107.9	S95 N99	S95-N97 PolarHBondContact O-N 3.42Å; N97-N99 PolarHBondContact O-N 3.24Å
98	H	24.8	Very low	23.7	Very low	186 Å²	186	146.4 Å²	146.4	86%	0.861	78%	0.782	S	S	*	*			trans	-78.4	75.3	160	-86.2	-43.3	0	0	0	108.5	P100	H98-P100 WeakPolarHBondContact O-CD 3.4Å
99	N	24.4	Very low	23.8	Very low	132 Å²	132	143.6 Å²	143.6	71%	0.706	77%	0.773	S	S	*	*			trans	-85.7	109.5	151.8	-108	-14	0	0	0	105.9	N97 F101	N97-N99 PolarHBondContact O-N 3.24Å; N99-F101 PolarHBondContact O-N 2.8Å
100	P	28.3	Very low	23.8	Very low	102 Å²	102	147.8 Å²	147.8	66%	0.662	78%	0.781	S	S	*	*	S	Bend	trans	-80.8	46.5	-176.8	35.1	-35.2	0	0	0	111.1	H98	H98-P100 WeakPolarHBondContact O-CD 3.4Å
101	F	26.8	Very low	23.9	Very low	160 Å²	160	143.5 Å²	143.5	70%	0.702	77%	0.773	S	S	*	*			trans	-154	74.2	167.4	-68.7	-72.7	0	0	0	107.3	N99 T103	N99-F101 PolarHBondContact O-N 2.8Å; F101-T103 PolarHBondContact O-N 3.11Å
102	N	24.8	Very low	24	Very low	148 Å²	148	144.8 Å²	144.8	79%	0.791	78%	0.775	S	S	*	*			trans	-64.7	105.3	163.7	-89	-8.1	0	0	0	107.1	I104	N102-I104 PolarHBondContact O-N 2.75Å; N102-I104 VanDerWaalsContact O-N 3.14Å
103	T	23.6	Very low	24.2	Very low	130 Å²	130	145.5 Å²	145.5	80%	0.798	78%	0.775	S	S	*	*			trans	-46.6	117.6	158.5	-13.1	0	0	0	0	106.8	F101 G105	F101-T103 PolarHBondContact O-N 3.11Å; T103-G105 VanDerWaalsContact C-N 3.34Å; T103-G105 PolarHBondContact O-N 3.08Å
104	I	24.7	Very low	24.3	Very low	152 Å²	152	142.2 Å²	142.2	78%	0.779	77%	0.767	S	S	*	*			trans	-60.9	99.3	179.4	-63.8	166.1	0	0	0	106.5	N102 Y106	N102-I104 PolarHBondContact O-N 2.75Å; N102-I104 VanDerWaalsContact O-N 3.14Å; I104-Y106 PolarHBondContact O-N 3.22Å
105	G	21.6	Very low	24.4	Very low	62 Å²	62	143.6 Å²	143.6	64%	0.639	77%	0.77	S	S	*	*			trans	-61.3	122.3	163.7	0	0	0	0	0	107	T103 E107	T103-G105 VanDerWaalsContact C-N 3.34Å; T103-G105 PolarHBondContact O-N 3.08Å; G105-E107 PolarHBondContact O-N 2.97Å
106	Y	22.8	Very low	24.4	Very low	220 Å²	220	143 Å²	143	86%	0.863	78%	0.779	S	S	*	*			trans	-57.7	103.3	168.5	-73	-91.4	0	0	0	107.6	I104 T108	I104-Y106 PolarHBondContact O-N 3.22Å; Y106-T108 VanDerWaalsContact C-N 3.31Å; Y106-T108 PolarHBondContact O-N 3.49Å
107	E	22.6	Very low	24.4	Very low	190 Å²	190	143.6 Å²	143.6	89%	0.888	78%	0.777	S	S	*	*			trans	-61.4	102.5	161.4	-81.2	-176.1	162.7	0	0	106.2	G105 G109	G105-E107 PolarHBondContact O-N 2.97Å; E107-G109 PolarHBondContact O-N 3.09Å
108	T	24	Very low	24.3	Very low	131 Å²	131	145.4 Å²	145.4	80%	0.804	78%	0.781	S	S	*	*			trans	-59.6	90.2	160.9	45.9	0	0	0	0	106.4	Y106 Q110	Y106-T108 VanDerWaalsContact C-N 3.31Å; Y106-T108 PolarHBondContact O-N 3.49Å; T108-Q110 PolarHBondContact O-N 3.49Å
109	G	23.3	Very low	24.4	Very low	60 Å²	60	141.8 Å²	141.8	62%	0.619	77%	0.773	S	S	*	*			trans	-53.1	112.2	173.2	0	0	0	0	0	108.1	E107 V111	E107-G109 PolarHBondContact O-N 3.09Å; G109-V111 VanDerWaalsContact C-N 3.28Å; G109-V111 PolarHBondContact O-N 2.9Å
110	Q	22.4	Very low	24.4	Very low	192 Å²	192	144 Å²	144	90%	0.897	78%	0.779	S	S	*	*			trans	-59.8	100.9	164	-81.6	-178	-28.2	0	0	106.3	T108 N112	T108-Q110 PolarHBondContact O-N 3.49Å; Q110-N112 VanDerWaalsContact C-N 3.35Å; Q110-N112 PolarHBondContact O-N 2.77Å
111	V	24.1	Very low	24.2	Very low	122 Å²	122	146.1 Å²	146.1	74%	0.739	78%	0.784	S	S	*	*			trans	-60.7	102.5	170.6	176.6	0	0	0	0	105.9	G109 T113	G109-V111 VanDerWaalsContact C-N 3.28Å; G109-V111 PolarHBondContact O-N 2.9Å; V111-T113 VanDerWaalsContact C-N 3.28Å; V111-T113 HydrophobicContact CG1-CG2 4.42Å; V111-T113 PolarHBondContact O-N 3.01Å
112	N	23.2	Very low	24.1	Very low	155 Å²	155	145.5 Å²	145.5	83%	0.829	79%	0.786	S	S	*	*			trans	-62.1	95.9	168.3	-114.2	-16.2	0	0	0	107	Q110 N114	Q110-N112 VanDerWaalsContact C-N 3.35Å; Q110-N112 PolarHBondContact O-N 2.77Å; N112-N114 PolarHBondContact O-N 3.38Å
113	T	26.4	Very low	24	Very low	117 Å²	117	147.5 Å²	147.5	72%	0.718	79%	0.788	S	S	*	*			trans	-70.8	76.3	175	50	0	0	0	0	108.8	V111	V111-T113 VanDerWaalsContact C-N 3.28Å; V111-T113 HydrophobicContact CG1-CG2 4.42Å; V111-T113 PolarHBondContact O-N 3.01Å
114	N	25.2	Very low	24.1	Very low	142 Å²	142	146.4 Å²	146.4	76%	0.759	79%	0.785	S	S	*	*			trans	-159	58.5	169.2	-93.3	-22.4	0	0	0	110.4	N112	N112-N114 PolarHBondContact O-N 3.38Å
115	H	25.5	Very low	24.1	Very low	178 Å²	178	146.7 Å²	146.7	82%	0.824	79%	0.789	S	S	*	*			trans	-152.4	106.7	148.7	-85.5	-31.7	0	0	0	108.6	Y117	H115-Y117 PolarHBondContact O-N 2.77Å
116	G	23.9	Very low	24.3	Very low	82 Å²	82	148.9 Å²	148.9	85%	0.845	79%	0.794	S	S	*	*			trans	-63.3	102.2	175.6	0	0	0	0	0	110.2
117	Y	24.6	Very low	24.5	Very low	215 Å²	215	147.5 Å²	147.5	84%	0.843	79%	0.793	S	S	*	*			trans	-87.8	103.4	162.6	-99.7	-91	0	0	0	107.9	H115 P119	H115-Y117 PolarHBondContact O-N 2.77Å; Y117-P119 WeakPolarHBondContact O-CD 3.29Å
118	H	24.1	Very low	24.7	Very low	178 Å²	178	145 Å²	145	82%	0.824	79%	0.791	S	S	*	*			trans	-60.4	118.5	164.8	-87.3	-66.7	0	0	0	108.7	E120	H118-E120 PolarHBondContact O-N 2.94Å; H118-E120 VanDerWaalsContact O-N 3.16Å
119	P	26.3	Very low	24.7	Very low	109 Å²	109	146.9 Å²	146.9	71%	0.708	80%	0.795	S	S	*	*			trans	-70	114.1	172.2	28.1	-28.8	0	0	0	107.4	Y117 I121	Y117-P119 WeakPolarHBondContact O-CD 3.29Å; P119-I121 PolarHBondContact O-N 3.12Å
120	E	23.8	Very low	24.8	Very low	178 Å²	178	148.9 Å²	148.9	83%	0.832	80%	0.797	S	S	*	*			trans	-56.5	106.5	166.9	-86.9	-177.7	145.4	0	0	108.5	H118 I122	H118-E120 PolarHBondContact O-N 2.94Å; H118-E120 VanDerWaalsContact O-N 3.16Å; E120-I122 PolarHBondContact O-N 2.79Å
121	I	24.6	Very low	24.8	Very low	148 Å²	148	147.8 Å²	147.8	76%	0.759	80%	0.796	S	S	*	*			trans	-68	89.2	169.2	-61.5	168.7	0	0	0	106.1	P119 K123	P119-I121 PolarHBondContact O-N 3.12Å; I121-K123 VanDerWaalsContact C-N 3.34Å; I121-K123 HydrophobicContact CG2-CG 4.46Å; I121-K123 PolarHBondContact O-N 3.16Å
122	I	24.8	Very low	24.7	Very low	147 Å²	147	147.3 Å²	147.3	75%	0.754	80%	0.797	S	S	*	*			trans	-65.1	100.1	166.3	-66.2	164.8	0	0	0	106.4	E120 S124	E120-I122 PolarHBondContact O-N 2.79Å; I122-S124 VanDerWaalsContact C-N 3.32Å; I122-S124 PolarHBondContact O-N 3.21Å
123	K	23.2	Very low	24.8	Very low	190 Å²	190	149 Å²	149	83%	0.826	80%	0.797	S	S	*	*			trans	-65.6	87	170.9	-73.1	178	176.9	176	0	109.2	I121	I121-K123 VanDerWaalsContact C-N 3.34Å; I121-K123 HydrophobicContact CG2-CG 4.46Å; I121-K123 PolarHBondContact O-N 3.16Å
124	S	24.4	Very low	24.6	Very low	106 Å²	106	150.9 Å²	150.9	74%	0.741	80%	0.802	S	S	*	*			trans	-84.5	113.5	164.9	58	0	0	0	0	109.1	I122 S126	I122-S124 VanDerWaalsContact C-N 3.32Å; I122-S124 PolarHBondContact O-N 3.21Å; S124-S126 PolarHBondContact O-N 3.27Å
125	N	25.8	Very low	24.6	Very low	159 Å²	159	152.3 Å²	152.3	85%	0.85	80%	0.804	S	S	*	*			trans	-48.1	129.7	-177.7	-82.1	-30.8	0	0	0	113.3	K127	N125-K127 PolarHBondContact O-N 3.02Å
126	S	24.9	Very low	24.5	Very low	108 Å²	108	150.5 Å²	150.5	76%	0.755	80%	0.8	S	S	*	*			trans	-60.1	117.1	166.5	46.2	0	0	0	0	110.5	S124	S124-S126 PolarHBondContact O-N 3.27Å
127	K	27.4	Very low	24.5	Very low	191 Å²	191	154.6 Å²	154.6	83%	0.83	80%	0.797	S	S	*	*	S	Bend	trans	-178.5	117.8	134.1	-96.3	159.2	-171	-172.7	0	108.1	N125	N125-K127 PolarHBondContact O-N 3.02Å
128	T	27.4	Very low	24.5	Very low	138 Å²	138	150.3 Å²	150.3	85%	0.847	79%	0.794	S	S	*	*			trans	59	75.8	160.1	54.2	0	0	0	0	116.8
129	L	22.8	Very low	24.4	Very low	169 Å²	169	148.7 Å²	148.7	89%	0.885	79%	0.79	S	S	*	*			trans	-105.4	120	150	-148.3	79	0	0	0	107.4
130	P	25.7	Very low	24.3	Very low	103 Å²	103	148.2 Å²	148.2	67%	0.669	79%	0.787	S	S	*	*			trans	-68.7	140.3	-174.1	28.8	-32.3	0	0	0	109.5	C132	P130-C132 VanDerWaalsContact C-N 3.28Å; P130-C132 PolarHBondContact O-N 3.16Å
131	L	23.6	Very low	24.3	Very low	169 Å²	169	151 Å²	151	89%	0.885	79%	0.791	S	S	*	*			trans	-47.7	90.8	168.5	-105.8	79.4	0	0	0	109.8	K133	L131-K133 PolarHBondContact O-N 3.4Å
132	C	22	Very low	24.1	Very low	111 Å²	111	150.7 Å²	150.7	75%	0.75	79%	0.788	S	S	*	*			trans	-73.2	92.5	160.4	-70.5	0	0	0	0	105.4	P130 L134	P130-C132 VanDerWaalsContact C-N 3.28Å; P130-C132 PolarHBondContact O-N 3.16Å; C132-L134 PolarHBondContact O-N 3.08Å
133	K	24	Very low	24	Very low	190 Å²	190	154.1 Å²	154.1	83%	0.826	79%	0.792	S	S	*	*			trans	-48.4	110.3	163	-93.1	176	170.8	174.8	0	106.8	L131 Q135	L131-K133 PolarHBondContact O-N 3.4Å; K133-Q135 VanDerWaalsContact C-N 3.31Å; K133-Q135 PolarHBondContact O-N 3.1Å
134	L	23.6	Very low	24	Very low	157 Å²	157	151.8 Å²	151.8	82%	0.822	79%	0.794	S	S	*	*			trans	-52.1	102.9	160.6	-111.4	89.2	0	0	0	106.2	C132 N136	C132-L134 PolarHBondContact O-N 3.08Å; L134-N136 PolarHBondContact O-N 2.82Å; L134-N136 VanDerWaalsContact O-N 3.12Å
135	Q	23.5	Very low	23.9	Very low	172 Å²	172	151.5 Å²	151.5	80%	0.804	79%	0.787	S	S	*	*			trans	-62.3	112.9	157.9	-89.5	176.5	-35.9	0	0	105	K133 E137	K133-Q135 VanDerWaalsContact C-N 3.31Å; K133-Q135 PolarHBondContact O-N 3.1Å; Q135-E137 PolarHBondContact O-N 2.85Å
136	N	24	Very low	23.8	Very low	141 Å²	141	148.6 Å²	148.6	75%	0.754	78%	0.777	S	S	*	*			trans	-59.7	84.1	166.2	-88	-14.4	0	0	0	107.8	L134 T138	L134-N136 PolarHBondContact O-N 2.82Å; L134-N136 VanDerWaalsContact O-N 3.12Å; N136-T138 PolarHBondContact O-N 3.44Å
137	E	24.5	Very low	23.6	Very low	167 Å²	167	150.3 Å²	150.3	78%	0.78	77%	0.773	S	S	*	*			trans	-64.8	94.7	156.2	-74.8	-171.3	167.5	0	0	106.1	Q135 I139	Q135-E137 PolarHBondContact O-N 2.85Å; E137-I139 PolarHBondContact O-N 2.84Å
138	T	23.9	Very low	23.4	Very low	125 Å²	125	147 Å²	147	77%	0.767	76%	0.759	S	S	*	*			trans	-65.7	92	165.6	15.1	0	0	0	0	105.6	N136 P140	N136-T138 PolarHBondContact O-N 3.44Å; T138-P140 WeakPolarHBondContact O-CD 3.48Å
139	I	23.3	Very low	23.1	Very low	145 Å²	145	147.6 Å²	147.6	74%	0.744	76%	0.755	S	S	*	*			trans	-58.4	106.4	171.8	-59.1	172.6	0	0	0	106	E137 Y141	E137-I139 PolarHBondContact O-N 2.84Å; I139-Y141 PolarHBondContact O-N 3.25Å
140	P	23.3	Very low	23.1	Very low	99 Å²	99	147 Å²	147	64%	0.643	74%	0.742	S	S	*	*			trans	-68	128.3	175.7	-4.2	21.3	0	0	0	105.8	T138 M142	T138-P140 WeakPolarHBondContact O-CD 3.48Å; P140-M142 VanDerWaalsContact C-N 3.28Å; P140-M142 PolarHBondContact O-N 3.45Å
141	Y	23.2	Very low	22.9	Very low	237 Å²	237	149.4 Å²	149.4	93%	0.929	75%	0.748	S	S	*	*			trans	-53.1	97.3	166.2	-89	-97.4	0	0	0	108.1	I139 R143	I139-Y141 PolarHBondContact O-N 3.25Å; Y141-R143 PolarHBondContact O-N 2.73Å
142	M	21.5	Very low	22.9	Very low	141 Å²	141	146.3 Å²	146.3	70%	0.695	74%	0.74	S	S	*	*			trans	-69.6	84.5	172.8	-86.6	-178.9	169.4	0	0	107.3	P140 T144	P140-M142 VanDerWaalsContact C-N 3.28Å; P140-M142 PolarHBondContact O-N 3.45Å; M142-T144 PolarHBondContact O-N 3.25Å
143	R	22.8	Very low	23	Very low	219 Å²	219	148.2 Å²	148.2	83%	0.826	74%	0.743	S	S	*	*			trans	-58.9	116.3	151.9	-125.2	178.6	-173.8	174.5	3.3	104.8	Y141 V145	Y141-R143 PolarHBondContact O-N 2.73Å; R143-V145 PolarHBondContact O-N 2.82Å
144	T	22.9	Very low	23.1	Very low	141 Å²	141	144.6 Å²	144.6	87%	0.865	74%	0.739	S	S	*	*			trans	-55.8	82.9	178.3	40.9	0	0	0	0	110.7	M142	M142-T144 PolarHBondContact O-N 3.25Å
145	V	22.2	Very low	23.4	Very low	100 Å²	100	141.7 Å²	141.7	61%	0.606	73%	0.732	S	S	*	*			trans	-101.5	121.5	155.4	-176.4	0	0	0	0	103.9	R143 H147	R143-V145 PolarHBondContact O-N 2.82Å; V145-H147 PolarHBondContact O-N 3.11Å
146	P	23.1	Very low	23.7	Very low	98 Å²	98	140.8 Å²	140.8	64%	0.636	73%	0.733	S	S	*	*			trans	-56.4	118.7	-177	21.3	-30.1	0	0	0	109.3	F148	P146-F148 WeakPolarHBondContact O-CD2 3.5Å; P146-F148 PolarHBondContact O-N 3.25Å
147	H	21.3	Very low	23.9	Very low	143 Å²	143	140.8 Å²	140.8	66%	0.662	73%	0.733	S	S	*	*			trans	-67.2	115.3	-179.5	-79	-87	0	0	0	109.8	V145	V145-H147 PolarHBondContact O-N 3.11Å
148	F	24	Very low	24.2	Very low	123 Å²	123	139.9 Å²	139.9	54%	0.539	73%	0.733	S	S	.	*			trans	-80.3	113.9	167.7	-65.5	-87.3	0	0	0	109.1	P146 Y150 M342	P146-F148 WeakPolarHBondContact O-CD2 3.5Å; P146-F148 PolarHBondContact O-N 3.25Å; F148-Y150 HydrophobicContact CB-CD2 4.29Å; F148-Y150 HydrophobicContact CB-CE2 4.2Å; F148-Y150 PolarHBondContact O-N 2.96Å; F148-M342 HydrophobicContact CD2-CE 3.94Å
149	I	20.6	Very low	24.5	Very low	150 Å²	150	140.9 Å²	140.9	77%	0.769	73%	0.734	S	S	*	*			trans	-82.8	106.1	166.2	-61.1	176.5	0	0	0	107.1	I151	I149-I151 HydrophobicContact CG2-CG1 4.21Å; I149-I151 PolarHBondContact O-N 2.92Å
150	Y	22.3	Very low	24.8	Very low	156 Å²	156	140 Å²	140	61%	0.612	74%	0.735	S	S	*	*			trans	-77.9	111.9	170.5	-87.8	-96.6	0	0	0	109.3	F148	F148-Y150 HydrophobicContact CB-CD2 4.29Å; F148-Y150 HydrophobicContact CB-CE2 4.2Å; F148-Y150 PolarHBondContact O-N 2.96Å
151	I	21.4	Very low	25	Very low	153 Å²	153	142.3 Å²	142.3	79%	0.785	74%	0.742	S	S	*	*			trans	-104.7	101.5	158.6	-56.3	178.5	0	0	0	105.8	I149 N153	I149-I151 HydrophobicContact CG2-CG1 4.21Å; I149-I151 PolarHBondContact O-N 2.92Å; I151-N153 PolarHBondContact O-N 2.89Å
152	S	23.4	Very low	25.2	Very low	105 Å²	105	139.4 Å²	139.4	73%	0.734	74%	0.739	S	S	*	*			trans	-60.9	116.8	173.5	54.6	0	0	0	0	109.2	P154	S152-P154 WeakPolarHBondContact O-CD 3.05Å
153	N	23.8	Very low	25.6	Very low	151 Å²	151	140.8 Å²	140.8	81%	0.807	75%	0.749	S	S	*	*			trans	-58.7	118.5	172.1	-148.9	2.7	0	0	0	108.7	I151 S155	I151-N153 PolarHBondContact O-N 2.89Å; N153-S155 PolarHBondContact O-N 3.45Å
154	P	27.5	Very low	25.9	Very low	114 Å²	114	134.9 Å²	134.9	74%	0.74	74%	0.741	S	S	*	*			trans	-63	115.4	175.3	24.8	-29.4	0	0	0	107.4	S152 N156	S152-P154 WeakPolarHBondContact O-CD 3.05Å; P154-N156 PolarHBondContact O-N 2.86Å
155	S	30.1	Very low	26.1	Very low	95 Å²	95	136.1 Å²	136.1	66%	0.664	74%	0.743	S	S	*	*			trans	-45.7	130.1	179.8	52.8	0	0	0	0	111.1	N153 N157	N153-S155 PolarHBondContact O-N 3.45Å; S155-N157 VanDerWaalsContact C-N 3.29Å; S155-N157 PolarHBondContact O-N 3.3Å
156	N	28.2	Very low	26.4	Very low	154 Å²	154	139 Å²	139	82%	0.824	76%	0.755	S	S	*	*			trans	-37.3	88.3	162.9	-90.8	-18.5	0	0	0	111.4	P154	P154-N156 PolarHBondContact O-N 2.86Å
157	N	29.5	Very low	26.5	Very low	141 Å²	141	142.8 Å²	142.8	75%	0.754	76%	0.764	S	S	*	*			trans	-102.4	89.7	157.8	-94.1	-10.4	0	0	0	105.9	S155 N159	S155-N157 VanDerWaalsContact C-N 3.29Å; S155-N157 PolarHBondContact O-N 3.3Å; N157-N159 PolarHBondContact O-N 3.47Å
158	N	30.1	Very low	26.7	Very low	147 Å²	147	145 Å²	145	79%	0.786	78%	0.777	S	S	*	*			trans	-54.3	89.7	155.4	-76.3	-22.4	0	0	0	107.6
159	N	31.3	Very low	26.8	Very low	147 Å²	147	145.6 Å²	145.6	79%	0.786	79%	0.791	S	S	*	*			trans	-149.5	108.1	156.3	-91.5	-26.6	0	0	0	107.9	N157	N157-N159 PolarHBondContact O-N 3.47Å
160	T	27.9	Very low	27	Very low	125 Å²	125	147.4 Å²	147.4	77%	0.767	80%	0.796	S	S	*	*			trans	-47.4	144.3	171.7	42.9	0	0	0	0	113.2
161	N	27.1	Very low	27.2	Very low	148 Å²	148	148.1 Å²	148.1	79%	0.791	81%	0.81	S	S	*	*			trans	71.8	99.2	164.4	-61.3	-15.4	0	0	0	117.1
162	M	29	Very low	27.5	Very low	176 Å²	176	149.9 Å²	149.9	87%	0.867	81%	0.812	S	S	*	*				178.9	123.2	116	-95.6	-74.6	176.6	0	0	109.2	S164	M162-S164 PolarHBondContact O-N 3.1Å
163	D	30.1	Very low	27.7	Very low	171 Å²	171	151.1 Å²	151.1	91%	0.914	82%	0.815	S	S	*	*			trans	-52.2	117.4	168.6	-71.1	-47.9	0	0	0	110.5
164	S	28.2	Very low	27.7	Very low	94 Å²	94	153.7 Å²	153.7	66%	0.657	82%	0.819	S	S	*	*			trans	-151.8	117.2	158	47.7	0	0	0	0	111	M162 N166	M162-S164 PolarHBondContact O-N 3.1Å; S164-N166 PolarHBondContact O-N 2.75Å
165	N	27.7	Very low	27.5	Very low	167 Å²	167	153.4 Å²	153.4	89%	0.893	82%	0.82	S	S	*	*			trans	-57.7	101.8	174.8	-71.5	-42.8	0	0	0	110.7	Q167	N165-Q167 PolarHBondContact O-N 2.95Å; N165-Q167 VanDerWaalsContact O-N 3.08Å
166	N	28	Very low	27.3	Very low	160 Å²	160	153.5 Å²	153.5	86%	0.856	82%	0.821	S	S	*	*			trans	-79.4	89.3	170.4	-81.8	-29	0	0	0	110	S164	S164-N166 PolarHBondContact O-N 2.75Å
167	Q	25.7	Very low	27.2	Very low	178 Å²	178	152.1 Å²	152.1	83%	0.832	82%	0.818	S	S	*	*			trans	-66	131.7	159.4	-82.4	-178.7	-18.5	0	0	109.9	N165 T169	N165-Q167 PolarHBondContact O-N 2.95Å; N165-Q167 VanDerWaalsContact O-N 3.08Å; Q167-T169 PolarHBondContact O-N 3.32Å
168	M	24	Very low	27.1	Very low	189 Å²	189	154.1 Å²	154.1	93%	0.931	82%	0.82	S	S	*	*			trans	-53.9	112.9	-179.4	-155	150.9	67.5	0	0	110.9	E170	M168-E170 PolarHBondContact O-N 2.82Å
169	T	26.7	Very low	27	Very low	136 Å²	136	154.6 Å²	154.6	83%	0.834	82%	0.822	S	S	*	*			trans	-79.8	116.8	178.6	3.1	0	0	0	0	109.4	Q167 L171	Q167-T169 PolarHBondContact O-N 3.32Å; T169-L171 PolarHBondContact O-N 3.11Å
170	E	25.2	Very low	26.6	Very low	189 Å²	189	154.9 Å²	154.9	88%	0.883	82%	0.822	S	S	*	*			trans	-53.6	127.3	174.7	-81.3	179.3	139.9	0	0	111.9	M168 K172	M168-E170 PolarHBondContact O-N 2.82Å; E170-K172 PolarHBondContact O-N 3.09Å; E170-K172 VanDerWaalsContact O-N 3.14Å
171	L	26.7	Very low	26.5	Very low	171 Å²	171	154.1 Å²	154.1	90%	0.895	82%	0.82	S	S	*	*			trans	-65.5	108.7	175.1	-142.9	89.1	0	0	0	109	T169 T173	T169-L171 PolarHBondContact O-N 3.11Å; L171-T173 PolarHBondContact O-N 2.9Å
172	K	27	Very low	26.4	Very low	190 Å²	190	152.5 Å²	152.5	83%	0.826	82%	0.819	S	S	*	*			trans	-57.7	112.5	174.6	-78.7	179.5	176.7	175.5	0	110.2	E170 F174	E170-K172 PolarHBondContact O-N 3.09Å; E170-K172 VanDerWaalsContact O-N 3.14Å; K172-F174 PolarHBondContact O-N 3.36Å
173	T	27.1	Very low	26.2	Very low	130 Å²	130	151.5 Å²	151.5	80%	0.798	82%	0.816	S	S	*	*			trans	-46.3	112	169.7	39.1	0	0	0	0	111.8	L171 S175	L171-T173 PolarHBondContact O-N 2.9Å; T173-S175 PolarHBondContact O-N 2.85Å; T173-S175 VanDerWaalsContact O-N 3.13Å
174	F	25	Very low	26	Very low	206 Å²	206	151.2 Å²	151.2	90%	0.904	81%	0.809	S	S	*	*			trans	-74.2	93.5	166.1	-96.7	-91.9	0	0	0	109.5	K172 S176	K172-F174 PolarHBondContact O-N 3.36Å; F174-S176 PolarHBondContact O-N 2.98Å
175	S	23.5	Very low	25.9	Very low	107 Å²	107	152.7 Å²	152.7	75%	0.748	82%	0.817	S	S	*	*			trans	-84.3	82.6	169.5	42.1	0	0	0	0	110.3	T173	T173-S175 PolarHBondContact O-N 2.85Å; T173-S175 VanDerWaalsContact O-N 3.13Å
176	S	25.9	Very low	25.7	Very low	98 Å²	98	149.9 Å²	149.9	69%	0.685	81%	0.805	S	S	*	*			trans	-105	74	165.9	164.6	0	0	0	0	109.5	F174 K178	F174-S176 PolarHBondContact O-N 2.98Å; S176-K178 PolarHBondContact O-N 2.77Å
177	T	25.7	Very low	25.6	Very low	124 Å²	124	147.6 Å²	147.6	76%	0.761	79%	0.793	S	S	*	*			trans	-68.5	93.8	166.7	41.3	0	0	0	0	109.7
178	K	26.9	Very low	25.7	Very low	183 Å²	183	148.9 Å²	148.9	80%	0.796	79%	0.792	S	S	*	*			trans	-99.9	108.8	156	-89.3	-175	176.9	177.9	0	108.1	S176 I180	S176-K178 PolarHBondContact O-N 2.77Å; K178-I180 PolarHBondContact O-N 3.33Å; K178-I180 VanDerWaalsContact O-N 3.09Å
179	N	27.7	Very low	25.8	Very low	157 Å²	157	147.5 Å²	147.5	84%	0.84	78%	0.783	S	S	*	*			trans	-46.3	106.7	179.8	-64	-34.1	0	0	0	111.7
180	I	23.8	Very low	25.8	Very low	153 Å²	153	149.2 Å²	149.2	79%	0.785	78%	0.781	S	S	*	*			trans	-83.5	124.1	164.4	-60.9	173.1	0	0	0	106.1	K178 S182	K178-I180 PolarHBondContact O-N 3.33Å; K178-I180 VanDerWaalsContact O-N 3.09Å; I180-S182 PolarHBondContact O-N 3.29Å
181	P	24.5	Very low	25.9	Very low	110 Å²	110	145.6 Å²	145.6	71%	0.714	77%	0.772	S	S	*	*			trans	-65	134.5	-178.2	-10.3	23.7	0	0	0	110	I183	P181-I183 PolarHBondContact O-N 2.82Å
182	S	25.7	Very low	25.9	Very low	113 Å²	113	144.5 Å²	144.5	79%	0.79	77%	0.766	S	S	*	*			trans	-57.3	110.4	177.4	62.7	0	0	0	0	110.4	I180 Q184	I180-S182 PolarHBondContact O-N 3.29Å; S182-Q184 PolarHBondContact O-N 3.07Å; S182-Q184 VanDerWaalsContact O-N 3.13Å
183	I	25.1	Very low	25.9	Very low	155 Å²	155	142.4 Å²	142.4	80%	0.795	76%	0.763	S	S	*	*			trans	-72.1	104.7	171	-63.3	167.5	0	0	0	106.4	P181	P181-I183 PolarHBondContact O-N 2.82Å
184	Q	25.7	Very low	25.7	Very low	166 Å²	166	146.7 Å²	146.7	78%	0.776	77%	0.765	S	S	*	*			trans	-60.1	137.3	166.9	-85.6	-177.9	-21.8	0	0	108.9	S182 V186	S182-Q184 PolarHBondContact O-N 3.07Å; S182-Q184 VanDerWaalsContact O-N 3.13Å; Q184-V186 PolarHBondContact O-N 2.79Å
185	P	25.7	Very low	25.7	Very low	125 Å²	125	143.5 Å²	143.5	81%	0.812	76%	0.757	S	S	*	*			trans	-65	120.1	-175.7	26.7	-33.4	0	0	0	109.9	N187	P185-N187 PolarHBondContact O-N 3.08Å
186	V	24.5	Very low	25.7	Very low	108 Å²	108	145.3 Å²	145.3	66%	0.655	77%	0.769	S	S	*	*			trans	-67.2	115.2	177.4	-180	0	0	0	0	108.4	Q184 Y188	Q184-V186 PolarHBondContact O-N 2.79Å; V186-Y188 PolarHBondContact O-N 2.86Å
187	N	26.4	Very low	25.6	Very low	112 Å²	112	148.8 Å²	148.8	60%	0.599	77%	0.774	S	S	*	*			trans	-70.3	112.9	175.7	-170.5	-5.7	0	0	0	109.5	P185 E189 Q190	P185-N187 PolarHBondContact O-N 3.08Å; N187-E189 PolarHBondContact O-N 2.74Å; N187-E189 VanDerWaalsContact O-N 3.08Å; N187-Q190 PolarHBondContact O-N 2.84Å
188	Y	26.6	Very low	25.6	Very low	204 Å²	204	154.3 Å²	154.3	80%	0.8	78%	0.781	S	S	*	*	G	3₁₀ helix	trans	-59.9	-18.9	-169	-91.1	-95.1	0	0	0	114.8	V186 Q190	V186-Y188 PolarHBondContact O-N 2.86Å; Y188-Q190 PolarHBondContact O-N 3.19Å
189	E	26.5	Very low	25.5	Very low	161 Å²	161	152.9 Å²	152.9	75%	0.752	78%	0.78	S	S	*	*	G	3₁₀ helix	trans	-70.7	-24.4	-178.6	-79.6	-173.7	148.1	0	0	114.4	N187 V191	N187-E189 PolarHBondContact O-N 2.74Å; N187-E189 VanDerWaalsContact O-N 3.08Å; E189-V191 VanDerWaalsContact C-N 3.31Å; E189-V191 PolarHBondContact O-N 3Å
190	Q	26.8	Very low	25.3	Very low	171 Å²	171	153.3 Å²	153.3	80%	0.799	78%	0.781	S	S	*	*	G	3₁₀ helix	trans	-77.9	-12.6	-177.8	-80	-171.4	-11	0	0	114.5	N187 Y188	N187-Q190 PolarHBondContact O-N 2.84Å; Y188-Q190 PolarHBondContact O-N 3.19Å
191	V	28.2	Very low	25.4	Very low	113 Å²	113	154.4 Å²	154.4	69%	0.685	78%	0.783	S	S	*	*	G	3₁₀ helix	trans	-84.1	-19.6	-176.1	-178.3	0	0	0	0	112.5	E189	E189-V191 VanDerWaalsContact C-N 3.31Å; E189-V191 PolarHBondContact O-N 3Å
192	I	25.9	Very low	25.4	Very low	148 Å²	148	156.2 Å²	156.2	76%	0.759	79%	0.787	S	S	*	*	S	Bend	trans	-88.3	-19.1	-173.2	-65.1	178.6	0	0	0	113.6
193	N	26.1	Very low	25.5	Very low	146 Å²	146	158 Å²	158	78%	0.781	79%	0.787	S	S	*	*	S	Bend	trans	-104.3	17.4	-172.2	-91.8	-12.2	0	0	0	117
194	R	23.1	Very low	25.5	Very low	220 Å²	220	160.7 Å²	160.7	83%	0.83	79%	0.793	S	S	*	*	S	Bend	trans	-109	92.7	172.1	-81.2	-173.8	175.8	174.4	1.1	112.4
195	N	25.9	Very low	25.4	Very low	139 Å²	139	162.5 Å²	162.5	74%	0.743	79%	0.794	S	S	*	*			trans	66.3	75.9	143.6	-56.4	-13.9	0	0	0	116.9
196	C	23	Very low	25.3	Very low	146 Å²	146	164.2 Å²	164.2	99%	0.986	80%	0.797	S	S	*	*			trans	-85.2	17.5	153.9	-81	0	0	0	0	113.2
197	E	24.9	Very low	25.3	Very low	170 Å²	170	164.7 Å²	164.7	79%	0.794	80%	0.803	S	S	*	*			trans	-96.4	122.6	173.6	-75.3	-173.3	160.1	0	0	110.6
198	R	24.5	Very low	25.3	Very low	240 Å²	240	164.3 Å²	164.3	91%	0.906	81%	0.807	S	S	*	*	S	Bend	trans	95.6	61.1	170.4	-55.6	-178.6	177.1	-170.1	-2.3	118
199	I	25.3	Very low	25.2	Very low	153 Å²	153	161.1 Å²	161.1	79%	0.785	80%	0.804	S	S	*	*			trans	-142.2	73.7	143.9	-50.3	178.6	0	0	0	108.3
200	I	23.1	Very low	25.2	Very low	167 Å²	167	160.4 Å²	160.4	86%	0.856	80%	0.803	S	S	*	*			trans	-134.4	73.6	165.5	-52.8	177.2	0	0	0	107.5
201	E	25	Very low	25.1	Very low	176 Å²	176	157.8 Å²	157.8	82%	0.822	80%	0.803	S	S	*	*	S	Bend	trans	-143.6	127.2	157.2	-73.8	-168.7	162.1	0	0	108.1
202	N	26.3	Very low	25.1	Very low	148 Å²	148	158.2 Å²	158.2	79%	0.791	80%	0.8	S	S	*	*	S	Bend	trans	72.8	72.7	171.1	-55	-24.5	0	0	0	117.3
203	N	26.7	Very low	25.2	Very low	149 Å²	149	160 Å²	160	80%	0.797	80%	0.804	S	S	*	*			trans	-165.1	99.3	130.6	-89.7	-27.5	0	0	0	108.9	Y205	N203-Y205 VanDerWaalsContact C-N 3.29Å; N203-Y205 PolarHBondContact O-N 3.27Å
204	K	24.6	Very low	25.4	Very low	212 Å²	212	157.6 Å²	157.6	92%	0.922	80%	0.8	S	S	*	*			trans	-67.4	84.1	174	-81	178.1	173.6	175.5	0	109.8
205	Y	23.8	Very low	25.9	Very low	205 Å²	205	153.7 Å²	153.7	80%	0.804	81%	0.806	S	S	*	*			trans	-104.7	102.4	149.6	-76.7	-82	0	0	0	106.7	N203 C207	N203-Y205 VanDerWaalsContact C-N 3.29Å; N203-Y205 PolarHBondContact O-N 3.27Å; Y205-C207 VanDerWaalsContact C-N 3.34Å; Y205-C207 PolarHBondContact O-N 2.94Å
206	N	23.7	Very low	26.2	Very low	161 Å²	161	150.1 Å²	150.1	86%	0.861	79%	0.792	S	S	*	*			trans	-67.3	94.5	171.7	-105.7	-1.1	0	0	0	107.9	P208	N206-P208 WeakPolarHBondContact O-CD 3.18Å
207	C	24.2	Very low	26.7	Very low	117 Å²	117	150.7 Å²	150.7	79%	0.791	79%	0.791	S	S	*	*			trans	-87.9	99.6	156.9	-74.7	0	0	0	0	107	Y205	Y205-C207 VanDerWaalsContact C-N 3.34Å; Y205-C207 PolarHBondContact O-N 2.94Å
208	P	26.6	Very low	27	Very low	105 Å²	105	146.9 Å²	146.9	68%	0.682	78%	0.783	S	S	*	*			trans	-69	142.1	171	30.5	-30.6	0	0	0	108.5	N206	N206-P208 WeakPolarHBondContact O-CD 3.18Å
209	N	26.3	Very low	27.1	Very low	136 Å²	136	142.6 Å²	142.6	73%	0.727	78%	0.777	S	S	*	*			trans	99.9	71.5	172.1	-51.1	-23.1	0	0	0	116.2	C211	N209-C211 PolarHBondContact O-N 3Å
210	I	24.7	Very low	27.2	Very low	146 Å²	146	140.7 Å²	140.7	75%	0.749	78%	0.776	S	S	*	*				28.1	83.7	113.9	-50.7	176.7	0	0	0	114.4	I212	I210-I212 HydrophobicContact CG2-CB 3.93Å; I210-I212 HydrophobicContact CG2-CD1 3.72Å; I210-I212 HydrophobicContact CG2-CG1 3.66Å
211	C	26.1	Very low	27.3	Very low	116 Å²	116	141.5 Å²	141.5	78%	0.784	78%	0.776	S	S	*	*			trans	-93.3	74.8	152.8	-72.4	0	0	0	0	108.1	N209	N209-C211 PolarHBondContact O-N 3Å
212	I	27.2	Very low	27.3	Very low	123 Å²	123	139 Å²	139	63%	0.631	78%	0.777	S	S	*	*			trans	-95.9	109.8	170.8	-67.4	177.1	0	0	0	106.9	I210	I210-I212 HydrophobicContact CG2-CB 3.93Å; I210-I212 HydrophobicContact CG2-CD1 3.72Å; I210-I212 HydrophobicContact CG2-CG1 3.66Å
213	H	27.8	Very low	27.3	Very low	184 Å²	184	141.8 Å²	141.8	85%	0.852	78%	0.782	S	S	*	*	S	Bend	trans	65.9	85.1	171.8	-54.6	-58.8	0	0	0	117.8
214	S	29.9	Very low	27.4	Very low	97 Å²	97	146.1 Å²	146.1	68%	0.678	79%	0.787	S	S	*	*			trans	-143.1	123.3	145.9	90.1	0	0	0	0	110.4	S216	S214-S216 PolarHBondContact O-N 3.33Å
215	S	33.6	Very low	27.6	Very low	137 Å²	137	139.2 Å²	139.2	96%	0.958	78%	0.776	S	S	*	*			trans	-81.5	25.9	-179.9	44.2	0	0	0	0	113.3
216	S	33.7	Very low	28	Very low	65 Å²	65	137.7 Å²	137.7	46%	0.455	78%	0.782	S	S	.	*			trans	-123.3	104.6	175.7	54.2	0	0	0	0	109.1	S214 S218	S214-S216 PolarHBondContact O-N 3.33Å; S216-S218 PolarHBondContact O-N 3.14Å
217	T	33.5	Very low	28.3	Very low	158 Å²	158	134.5 Å²	134.5	97%	0.969	77%	0.772	S	S	*	*	S	Bend	trans	-68.4	21.8	-178.8	40.4	0	0	0	0	114.7
218	S	30.7	Very low	28.7	Very low	89 Å²	89	137.3 Å²	137.3	62%	0.622	78%	0.779	S	S	*	*			trans	-125.9	49.4	-172.5	68.7	0	0	0	0	112.6	S216	S216-S218 PolarHBondContact O-N 3.14Å
219	L	27.4	Very low	28.7	Very low	151 Å²	151	139.8 Å²	139.8	79%	0.791	78%	0.779	S	S	*	*			trans	-168.4	67.7	165.7	-98.2	135	0	0	0	110.8
220	C	26.5	Very low	29	Very low	112 Å²	112	137.5 Å²	137.5	76%	0.757	77%	0.767	S	S	*	*			trans	-117.4	82.4	162.7	-74.5	0	0	0	0	108.1	C222	C220-C222 PolarHBondContact O-N 3.4Å
221	E	24.6	Very low	29.1	Very low	184 Å²	184	136.7 Å²	136.7	86%	0.86	76%	0.759	S	S	*	*			trans	-83.2	104.9	169.5	-93.7	-174.8	160.1	0	0	109.6	K223	E221-K223 PolarHBondContact O-N 2.61Å
222	C	25.8	Very low	29.3	Very low	123 Å²	123	133.4 Å²	133.4	83%	0.831	74%	0.737	S	S	*	*			trans	-70.4	111.1	165.5	-67.2	0	0	0	0	108.9	C220 R224	C220-C222 PolarHBondContact O-N 3.4Å; C222-R224 PolarHBondContact O-N 3.01Å
223	K	26.2	Very low	29.4	Very low	208 Å²	208	132.3 Å²	132.3	90%	0.904	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-61.5	116.2	169.1	-81.1	-174.9	172.9	-176.5	0	109.5	E221	E221-K223 PolarHBondContact O-N 2.61Å
224	R	29.6	Very low	29.4	Very low	240 Å²	240	129.3 Å²	129.3	91%	0.906	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-62.9	128.5	172.7	-93.6	177.7	169.7	153.4	-1.8	109.6	C222	C222-R224 PolarHBondContact O-N 3.01Å
225	G	27.8	Very low	29.6	Very low	66 Å²	66	130.4 Å²	130.4	68%	0.68	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-72.6	133.2	164.8	0	0	0	0	0	110.1	S227	G225-S227 PolarHBondContact O-N 2.86Å
226	D	31.4	Very low	29.6	Very low	173 Å²	173	129.1 Å²	129.1	93%	0.925	70%	0.696	S	S	*	*	S	Bend	trans	-61.9	92.7	178.8	-65.7	-45.4	0	0	0	111.2
227	S	31.1	Very low	29.2	Very low	95 Å²	95	131.7 Å²	131.7	66%	0.664	71%	0.705	S	S	*	*			trans	-156.8	109.1	153.2	50.5	0	0	0	0	107.8	G225 F229	G225-S227 PolarHBondContact O-N 2.86Å; S227-F229 PolarHBondContact O-N 2.88Å
228	D	31.3	Very low	28.9	Very low	176 Å²	176	130.6 Å²	130.6	94%	0.941	69%	0.693	S	S	*	*			trans	-62.9	80.9	172.8	-77.2	-41.3	0	0	0	109.7	D230	D228-D230 PolarHBondContact O-N 2.83Å
229	F	28	Very low	28.7	Very low	156 Å²	156	132.2 Å²	132.2	68%	0.684	70%	0.701	S	S	*	*			trans	-81.9	99.1	170.7	-135.4	-89.8	0	0	0	108.3	S227 F231	S227-F229 PolarHBondContact O-N 2.88Å; F229-F231 PolarHBondContact O-N 2.81Å
230	D	31.6	Very low	28.7	Very low	88 Å²	88	131.1 Å²	131.1	47%	0.471	70%	0.701	S	S	.	*			trans	-75.7	89.4	-176.6	-167.1	-0.3	0	0	0	111.6	D228 S232	D228-D230 PolarHBondContact O-N 2.83Å; D230-S232 PolarHBondContact O-N 2.8Å; D230-S232 VanDerWaalsContact O-N 3.11Å; D230-S232 VanDerWaalsContact OD1-CB 3.31Å; D230-S232 WeakPolarHBondContact OD1-CB 3.1Å; D230-S232 PolarHBondContact OD1-N 2.94Å; D230-S232 PolarHBondContact OD1-OG 3.25Å; D230-S232 PolarHBondContact OD2-OG 2.8Å
231	F	27.9	Very low	28.6	Very low	129 Å²	129	132.3 Å²	132.3	57%	0.566	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-11.4	176.4	-87.9	-87.6	0	0	0	114.2	F229 N233 I234 L235	F229-F231 PolarHBondContact O-N 2.81Å; F231-N233 VanDerWaalsContact C-N 3.28Å; F231-N233 PolarHBondContact O-N 2.63Å; F231-I234 PolarHBondContact O-N 3.04Å; F231-L235 PolarHBondContact O-N 3.27Å
232	S	30.7	Very low	28.6	Very low	47 Å²	47	134.7 Å²	134.7	33%	0.329	70%	0.703	S	S	.	*	H	α-helix	trans	-66.4	-29.7	-177.8	67.1	0	0	0	0	112.8	D230 I234 F236	D230-S232 PolarHBondContact O-N 2.8Å; D230-S232 VanDerWaalsContact O-N 3.11Å; D230-S232 VanDerWaalsContact OD1-CB 3.31Å; D230-S232 WeakPolarHBondContact OD1-CB 3.1Å; D230-S232 PolarHBondContact OD1-N 2.94Å; D230-S232 PolarHBondContact OD1-OG 3.25Å; D230-S232 PolarHBondContact OD2-OG 2.8Å; S232-I234 VanDerWaalsContact C-N 3.34Å; S232-I234 PolarHBondContact O-N 3.16Å; S232-F236 WeakPolarHBondContact O-CD2 3.11Å; S232-F236 PolarHBondContact O-N 3.39Å
233	N	28.7	Very low	28.3	Very low	100 Å²	100	138.1 Å²	138.1	54%	0.535	70%	0.7	S	S	.	*	H	α-helix	trans	-73.8	-21.3	178	-76.3	-29.2	0	0	0	114.1	F231 N237	F231-N233 VanDerWaalsContact C-N 3.28Å; F231-N233 PolarHBondContact O-N 2.63Å; N233-N237 PolarHBondContact O-ND2 3.37Å
234	I	28.3	Very low	28.2	Very low	122 Å²	122	133.3 Å²	133.3	63%	0.626	69%	0.69	S	S	*	*	H	α-helix	trans	-85.6	-31.3	-179.7	-61.3	175.7	0	0	0	111	F231 S232	F231-I234 PolarHBondContact O-N 3.04Å; S232-I234 VanDerWaalsContact C-N 3.34Å; S232-I234 PolarHBondContact O-N 3.16Å
235	L	32.6	Very low	28	Very low	120 Å²	120	129.9 Å²	129.9	63%	0.628	69%	0.688	S	S	*	*	H	α-helix	trans	-90.4	-20.7	-173	-76.3	161.4	0	0	0	114.4	F231	F231-L235 PolarHBondContact O-N 3.27Å
236	F	33.9	Very low	27.8	Very low	110 Å²	110	134.5 Å²	134.5	48%	0.482	69%	0.691	S	S	.	*	S	Bend	trans	-119.4	-0.8	-171.8	-65.8	-73.4	0	0	0	115.6	S232 N238 M645	S232-F236 WeakPolarHBondContact O-CD2 3.11Å; S232-F236 PolarHBondContact O-N 3.39Å; F236-N238 PolarHBondContact O-N 2.96Å; F236-M645 HydrophobicContact CE1-SD 3.94Å; F236-M645 HydrophobicContact CZ-CG 4.43Å; F236-M645 HydrophobicContact CZ-SD 3.64Å
237	N	26	Very low	27.5	Very low	119 Å²	119	136 Å²	136	64%	0.636	69%	0.69	S	S	*	*			trans	-80	104.7	169.8	-79.5	-29.2	0	0	0	109.2	N233	N233-N237 PolarHBondContact O-ND2 3.37Å
238	N	26.6	Very low	27.2	Very low	134 Å²	134	139.3 Å²	139.3	72%	0.717	70%	0.698	S	S	*	*			trans	-42.6	140.7	157.7	-81.3	-31.9	0	0	0	109	F236 T240	F236-N238 PolarHBondContact O-N 2.96Å; N238-T240 PolarHBondContact O-N 2.98Å
239	P	26.7	Very low	26.8	Very low	123 Å²	123	138.4 Å²	138.4	80%	0.799	69%	0.688	S	S	*	*			trans	-58.6	105.6	176	24.8	-31	0	0	0	107.7	D241	P239-D241 PolarHBondContact O-N 3.15Å
240	T	26.8	Very low	26.6	Very low	128 Å²	128	137.2 Å²	137.2	79%	0.785	69%	0.689	S	S	*	*			trans	-54.2	127.7	176.5	33.3	0	0	0	0	108.5	N238 Y242	N238-T240 PolarHBondContact O-N 2.98Å; T240-Y242 PolarHBondContact O-N 3.18Å
241	D	25.8	Very low	26.4	Very low	137 Å²	137	141.6 Å²	141.6	73%	0.733	71%	0.706	S	S	*	*			trans	-35.3	120.1	-179.8	-66	-54	0	0	0	112.1	P239 Y243	P239-D241 PolarHBondContact O-N 3.15Å; D241-Y243 HydrophobicContact CB-CD2 4.14Å; D241-Y243 HydrophobicContact CB-CE2 4.2Å; D241-Y243 PolarHBondContact O-N 2.89Å
242	Y	22.8	Very low	26.2	Very low	235 Å²	235	143.6 Å²	143.6	92%	0.922	72%	0.717	S	S	*	*			trans	-62	83.7	169.6	-117	-95.8	0	0	0	108.4	T240	T240-Y242 PolarHBondContact O-N 3.18Å
243	Y	21.2	Very low	26	Very low	195 Å²	195	150.9 Å²	150.9	77%	0.765	75%	0.746	S	S	*	*			trans	-75	122.3	160.8	-89.8	-87.9	0	0	0	107.6	D241 I245	D241-Y243 HydrophobicContact CB-CD2 4.14Å; D241-Y243 HydrophobicContact CB-CE2 4.2Å; D241-Y243 PolarHBondContact O-N 2.89Å; Y243-I245 PolarHBondContact O-N 2.84Å
244	P	24.1	Very low	25.7	Very low	107 Å²	107	150.5 Å²	150.5	70%	0.695	75%	0.751	S	S	*	*			trans	-63.9	115.4	-178.9	25.5	-30.7	0	0	0	108.3	H246	P244-H246 PolarHBondContact O-N 3.4Å
245	I	23.8	Very low	25.6	Very low	167 Å²	167	151.5 Å²	151.5	86%	0.856	76%	0.763	S	S	*	*			trans	-58.6	106.8	177.5	-63.7	170.6	0	0	0	107.4	Y243 K247	Y243-I245 PolarHBondContact O-N 2.84Å; I245-K247 PolarHBondContact O-N 2.66Å
246	H	24.1	Very low	25.2	Very low	164 Å²	164	152.1 Å²	152.1	76%	0.759	76%	0.762	S	S	*	*			trans	-54.1	125.2	167.2	-89.9	-81.1	0	0	0	108.8	P244 I248	P244-H246 PolarHBondContact O-N 3.4Å; H246-I248 PolarHBondContact O-N 2.86Å
247	K	24.6	Very low	24.8	Very low	205 Å²	205	153.5 Å²	153.5	89%	0.891	78%	0.78	S	S	*	*			trans	-45.7	101.7	169	-77.4	173.9	172.7	176.8	0	110.1	I245	I245-K247 PolarHBondContact O-N 2.66Å
248	I	25.8	Very low	24.7	Very low	164 Å²	164	154.7 Å²	154.7	84%	0.841	78%	0.781	S	S	*	*			trans	-91.4	110.7	162.9	-64.3	175.7	0	0	0	106.6	H246	H246-I248 PolarHBondContact O-N 2.86Å
249	H	23	Very low	24.7	Very low	157 Å²	157	154.8 Å²	154.8	73%	0.727	79%	0.787	S	S	*	*			trans	-58.8	145.9	170.9	-103.1	-59.7	0	0	0	112
250	N	23.8	Very low	24.6	Very low	131 Å²	131	157.4 Å²	157.4	70%	0.701	79%	0.789	S	S	*	*			trans	71.2	102.6	149.3	-54.8	-13.3	0	0	0	117.9
251	H	27.5	Very low	24.4	Very low	179 Å²	179	160.1 Å²	160.1	83%	0.829	79%	0.792	S	S	*	*				-168.6	140.9	96	-109	-50	0	0	0	111.7
252	Q	23	Very low	24.5	Very low	171 Å²	171	162.4 Å²	162.4	80%	0.799	80%	0.798	S	S	*	*			trans	-60.9	141.3	179.9	-63.7	148.5	-51.1	0	0	112.4
253	Q	27.7	Very low	24.5	Very low	200 Å²	200	159.9 Å²	159.9	94%	0.935	80%	0.795	S	S	*	*				-154.3	125.5	123	-108.9	172	11.3	0	0	110.3
254	S	22.5	Very low	24.7	Very low	92 Å²	92	159.4 Å²	159.4	64%	0.643	80%	0.8	S	S	*	*			trans	-83.5	134.5	-174.8	160.2	0	0	0	0	110.5
255	T	25.9	Very low	24.6	Very low	144 Å²	144	163.5 Å²	163.5	88%	0.883	81%	0.809	S	S	*	*			trans	-141.6	93.5	138.7	37.9	0	0	0	0	108.9
256	H	22.9	Very low	24.6	Very low	132 Å²	132	162.8 Å²	162.8	61%	0.611	80%	0.802	S	S	*	*			trans	-4.1	116.6	151	-97.3	-95.9	0	0	0	117.2
257	V	26.8	Very low	24.5	Very low	140 Å²	140	163.1 Å²	163.1	85%	0.848	80%	0.804	S	S	*	*				-138.8	103.5	123.9	-179.5	0	0	0	0	106.5
258	Q	23	Very low	24.4	Very low	144 Å²	144	163.5 Å²	163.5	67%	0.673	80%	0.801	S	S	*	*			trans	-66.1	127.4	173.8	-75.8	164.4	-38	0	0	109.1
259	T	27	Very low	24.2	Very low	136 Å²	136	163.3 Å²	163.3	83%	0.834	80%	0.797	S	S	*	*			trans	-145.7	111.8	145.1	-14.7	0	0	0	0	106.2	Q261	T259-Q261 PolarHBondContact O-N 3.25Å
260	E	25.5	Very low	24.3	Very low	178 Å²	178	164.4 Å²	164.4	83%	0.832	81%	0.807	S	S	*	*			trans	-59.7	126.9	-162.9	-67.2	168.3	145	0	0	112	H262	E260-H262 PolarHBondContact O-N 3.35Å
261	Q	22.6	Very low	24.2	Very low	185 Å²	185	161.2 Å²	161.2	86%	0.864	81%	0.805	S	S	*	*			trans	-62.9	117.8	151.2	-73.4	179.9	-31.3	0	0	107.7	T259	T259-Q261 PolarHBondContact O-N 3.25Å
262	H	27.5	Very low	24	Very low	185 Å²	185	162.1 Å²	162.1	86%	0.856	81%	0.807	S	S	*	*			trans	-128	111.4	143.4	-101.9	49.7	0	0	0	108.4	E260	E260-H262 PolarHBondContact O-N 3.35Å
263	Q	22	Very low	24.2	Very low	181 Å²	181	164 Å²	164	85%	0.846	81%	0.813	S	S	*	*			trans	-52.4	130.6	161.6	-66.4	163.4	-31.7	0	0	108.9
264	Q	25.2	Very low	24	Very low	186 Å²	186	161.4 Å²	161.4	87%	0.869	80%	0.804	S	S	*	*				-167.3	130	127.9	-106.3	167.7	12.5	0	0	109.7	Q266	Q264-Q266 PolarHBondContact O-N 3.02Å; Q264-Q266 VanDerWaalsContact O-N 3.1Å
265	H	23	Very low	24.1	Very low	192 Å²	192	162.7 Å²	162.7	89%	0.889	81%	0.808	S	S	*	*			trans	-49.1	110.5	168.1	-69.1	-11.4	0	0	0	110.6
266	Q	23.5	Very low	24.1	Very low	153 Å²	153	164.8 Å²	164.8	72%	0.715	81%	0.807	S	S	*	*			trans	-124	97.4	152.9	-80.4	-174.8	-8.5	0	0	108	Q264 Y268	Q264-Q266 PolarHBondContact O-N 3.02Å; Q264-Q266 VanDerWaalsContact O-N 3.1Å; Q266-Y268 VanDerWaalsContact C-N 3.33Å; Q266-Y268 WeakPolarHBondContact O-CD2 3.19Å; Q266-Y268 PolarHBondContact O-N 2.9Å
267	Q	21.2	Very low	24.1	Very low	171 Å²	171	166.1 Å²	166.1	80%	0.799	81%	0.814	S	S	*	*			trans	-43	94.3	157.8	-171.3	173.2	-10.5	0	0	108.8	E269	Q267-E269 PolarHBondContact O-N 3.39Å
268	Y	23.2	Very low	24.1	Very low	213 Å²	213	166.4 Å²	166.4	84%	0.835	81%	0.811	S	S	*	*			trans	-72	86.2	168.9	-82.4	-83.9	0	0	0	107.6	Q266	Q266-Y268 VanDerWaalsContact C-N 3.33Å; Q266-Y268 WeakPolarHBondContact O-CD2 3.19Å; Q266-Y268 PolarHBondContact O-N 2.9Å
269	E	21.4	Very low	24.3	Very low	159 Å²	159	171.1 Å²	171.1	74%	0.743	82%	0.822	S	S	*	*			trans	-55.9	138.3	159.9	-81.7	-168.7	149.7	0	0	109.4	Q267 G271	Q267-E269 PolarHBondContact O-N 3.39Å; E269-G271 PolarHBondContact O-N 3.02Å
270	L	24.5	Very low	24.3	Very low	181 Å²	181	172.1 Å²	172.1	95%	0.948	82%	0.822	S	S	*	*			trans	-59.8	75.6	-178.5	-161.2	77	0	0	0	111	K272	L270-K272 PolarHBondContact O-N 3.49Å; L270-K272 VanDerWaalsContact O-N 3.17Å
271	G	22.1	Very low	24.5	Very low	64 Å²	64	172.3 Å²	172.3	66%	0.66	82%	0.823	S	S	*	*			trans	-75.1	99	177.4	0	0	0	0	0	111.6	E269 F273	E269-G271 PolarHBondContact O-N 3.02Å; G271-F273 PolarHBondContact O-N 2.96Å
272	K	23.7	Very low	24.8	Very low	197 Å²	197	171.7 Å²	171.7	86%	0.857	82%	0.818	S	S	*	*			trans	24.3	86.6	147.8	-75	176.6	173.2	175.4	0	115.4	L270 I274	L270-K272 PolarHBondContact O-N 3.49Å; L270-K272 VanDerWaalsContact O-N 3.17Å; K272-I274 PolarHBondContact O-N 2.82Å
273	F	26.1	Very low	24.9	Very low	212 Å²	212	169.3 Å²	169.3	93%	0.93	82%	0.821	S	S	*	*			trans	-68.6	113.5	154	-93.5	-84.7	0	0	0	108.4	G271 T275	G271-F273 PolarHBondContact O-N 2.96Å; F273-T275 PolarHBondContact O-N 3.01Å
274	I	24.4	Very low	25.3	Very low	144 Å²	144	166.7 Å²	166.7	74%	0.738	81%	0.812	S	S	*	*			trans	-50.1	127.6	-178.7	-68	162.5	0	0	0	110.6	K272 H276	K272-I274 PolarHBondContact O-N 2.82Å; I274-H276 PolarHBondContact O-N 3.03Å; I274-H276 VanDerWaalsContact O-N 3.09Å
275	T	24	Very low	25.9	Very low	119 Å²	119	161.4 Å²	161.4	73%	0.73	80%	0.796	S	S	*	*			trans	-59.3	99.1	169	45	0	0	0	0	110.1	F273 E277	F273-T275 PolarHBondContact O-N 3.01Å; T275-E277 VanDerWaalsContact C-N 3.29Å; T275-E277 PolarHBondContact O-N 2.79Å
276	H	26	Very low	26.6	Very low	188 Å²	188	160 Å²	160	87%	0.87	79%	0.791	S	S	*	*			trans	-84.9	83.8	154.6	-105	-70.5	0	0	0	108	I274	I274-H276 PolarHBondContact O-N 3.03Å; I274-H276 VanDerWaalsContact O-N 3.09Å
277	E	23.3	Very low	27.4	Very low	160 Å²	160	155.4 Å²	155.4	75%	0.748	78%	0.78	S	S	*	*			trans	-56.9	152.4	155.9	-92.7	176.3	150.1	0	0	110.1	T275	T275-E277 VanDerWaalsContact C-N 3.29Å; T275-E277 PolarHBondContact O-N 2.79Å
278	N	26.3	Very low	28.1	Very low	147 Å²	147	150.6 Å²	150.6	79%	0.786	77%	0.765	S	S	*	*			trans	90.2	76.3	175.5	-57.9	-29.5	0	0	0	117.2
279	R	28.1	Very low	28.7	Very low	242 Å²	242	145.5 Å²	145.5	91%	0.913	76%	0.759	S	S	*	*				-172.4	89.1	112.8	-100.4	177.7	-175.8	-179.2	1.7	109.8	E281	R279-E281 VanDerWaalsContact C-N 3.32Å; R279-E281 PolarHBondContact O-N 2.81Å
280	D	27.5	Very low	29.3	Very low	157 Å²	157	145.1 Å²	145.1	84%	0.84	76%	0.76	S	S	*	*			trans	-69.1	84.1	165.7	-73.9	-46.8	0	0	0	110.3
281	E	28.7	Very low	30	Very low	183 Å²	183	141.9 Å²	141.9	86%	0.855	74%	0.742	S	S	*	*			trans	-99.6	86.8	153.9	-84.7	-176.8	170.5	0	0	107.9	R279 C283	R279-E281 VanDerWaalsContact C-N 3.32Å; R279-E281 PolarHBondContact O-N 2.81Å; E281-C283 PolarHBondContact O-N 3.04Å; E281-C283 VanDerWaalsContact O-N 3.11Å
282	K	29.9	Very low	30.7	Very low	172 Å²	172	143.8 Å²	143.8	75%	0.748	74%	0.737	S	S	*	*			trans	-56.6	110.5	166.6	-87	174.8	173.8	170.2	0	108.8	N284	K282-N284 PolarHBondContact O-N 2.57Å
283	C	29	Very low	31.3	Very low	135 Å²	135	144.6 Å²	144.6	91%	0.912	74%	0.736	S	S	*	*			trans	-62.4	87.5	162.3	-89	0	0	0	0	109.1	E281 S285	E281-C283 PolarHBondContact O-N 3.04Å; E281-C283 VanDerWaalsContact O-N 3.11Å; C283-S285 PolarHBondContact O-N 3.16Å
284	N	30.1	Very low	32.1	Very low	125 Å²	125	143.2 Å²	143.2	67%	0.668	73%	0.733	S	S	*	*			trans	-73.3	91.4	172.9	-75.4	-19.8	0	0	0	109.8	K282	K282-N284 PolarHBondContact O-N 2.57Å
285	S	37.3	Very low	32.9	Very low	76 Å²	76	138.9 Å²	138.9	53%	0.531	72%	0.715	S	S	.	*			trans	66.1	135.9	161.6	96.6	0	0	0	0	118.3	C283 A287 S288	C283-S285 PolarHBondContact O-N 3.16Å; S285-A287 PolarHBondContact O-N 3.16Å; S285-A287 VanDerWaalsContact O-N 3.1Å; S285-S288 PolarHBondContact O-N 3.43Å
286	M	37.6	Very low	33.3	Very low	161 Å²	161	136.8 Å²	136.8	79%	0.793	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	-16.7	176.5	-160.9	153.9	152.3	0	0	113.3	C289 M290	M286-C289 PolarHBondContact O-N 3.49Å; M286-M290 PolarHBondContact O-N 2.84Å
287	A	40.1	Very low	33.7	Very low	58 Å²	58	135 Å²	135	48%	0.479	71%	0.709	S	S	.	*	H	α-helix	trans	-67.1	-37	178.8	0	0	0	0	0	112.6	S285 C289 M290 I291	S285-A287 PolarHBondContact O-N 3.16Å; S285-A287 VanDerWaalsContact O-N 3.1Å; A287-C289 PolarHBondContact O-N 2.88Å; A287-M290 PolarHBondContact O-N 2.77Å; A287-I291 WeakPolarHBondContact O-CG1 3.4Å; A287-I291 PolarHBondContact O-N 2.86Å
288	S	36.5	Very low	34.2	Very low	70 Å²	70	135.4 Å²	135.4	49%	0.49	72%	0.717	S	S	.	*	H	α-helix	trans	-68.6	-23.4	178.3	-68.3	0	0	0	0	113.2	S285	S285-S288 PolarHBondContact O-N 3.43Å
289	C	35.3	Very low	34.5	Very low	105 Å²	105	134.6 Å²	134.6	71%	0.709	71%	0.712	S	S	*	*	H	α-helix	trans	-82.3	-27.4	177	-74	0	0	0	0	113.7	M286 A287	M286-C289 PolarHBondContact O-N 3.49Å; A287-C289 PolarHBondContact O-N 2.88Å
290	M	34.9	Very low	34.9	Very low	151 Å²	151	128.3 Å²	128.3	74%	0.744	70%	0.702	S	S	*	*	H	α-helix	trans	-82.4	-36.7	176.6	-83.4	-163.1	99.4	0	0	112.8	M286 A287 N292 Y293	M286-M290 PolarHBondContact O-N 2.84Å; A287-M290 PolarHBondContact O-N 2.77Å; M290-N292 VanDerWaalsContact C-N 3.26Å; M290-N292 PolarHBondContact O-N 2.94Å; M290-Y293 PolarHBondContact O-N 3.35Å
291	I	39.6	Very low	35.2	Very low	113 Å²	113	132.6 Å²	132.6	58%	0.579	71%	0.707	S	S	*	*	H	α-helix	trans	-62.9	-36.1	-178.9	-65.8	170.5	0	0	0	111.2	A287 Y293 E294 S295	A287-I291 WeakPolarHBondContact O-CG1 3.4Å; A287-I291 PolarHBondContact O-N 2.86Å; I291-Y293 VanDerWaalsContact C-N 3.28Å; I291-Y293 PolarHBondContact O-N 3.26Å; I291-E294 PolarHBondContact O-N 3.01Å; I291-S295 PolarHBondContact O-N 3.22Å
292	N	35.9	Very low	35.8	Very low	104 Å²	104	128.1 Å²	128.1	56%	0.556	70%	0.696	S	S	*	*	H	α-helix	trans	-76.6	-9.3	-178.3	-69.5	-3.6	0	0	0	114.5	M290	M290-N292 VanDerWaalsContact C-N 3.26Å; M290-N292 PolarHBondContact O-N 2.94Å
293	Y	36.2	Very low	36.3	Very low	215 Å²	215	129.7 Å²	129.7	84%	0.843	70%	0.703	S	S	*	*	H	α-helix	trans	-85.7	-21.7	175.6	-144.9	-85.9	0	0	0	112.2	M290 I291	M290-Y293 PolarHBondContact O-N 3.35Å; I291-Y293 VanDerWaalsContact C-N 3.28Å; I291-Y293 PolarHBondContact O-N 3.26Å
294	E	43.1	Very low	37.2	Very low	183 Å²	183	129.5 Å²	129.5	86%	0.855	69%	0.691	S	S	*	*	H	α-helix	trans	-89.9	-29.9	176.1	-75.2	-173.7	163.9	0	0	112.9	I291 G296	I291-E294 PolarHBondContact O-N 3.01Å; E294-G296 PolarHBondContact O-N 3.1Å
295	S	41	Very low	38.1	Very low	52 Å²	52	128 Å²	128	36%	0.364	68%	0.683	S	S	.	*	S	Bend	trans	-79.7	98.3	168	60.3	0	0	0	0	108.4	I291 E297	I291-S295 PolarHBondContact O-N 3.22Å; S295-E297 PolarHBondContact O-N 3.14Å
296	G	33.6	Very low	38.8	Very low	76 Å²	76	127.6 Å²	127.6	78%	0.784	68%	0.675	S	S	*	*			trans	-63	43.3	178.4	0	0	0	0	0	115.4	E294	E294-G296 PolarHBondContact O-N 3.1Å
297	E	33.2	Very low	39.6	Very low	150 Å²	150	123 Å²	123	70%	0.701	66%	0.658	S	S	*	*			trans	-83.7	122.3	171.3	-71.3	-166	158.6	0	0	109.8	S295 L299	S295-E297 PolarHBondContact O-N 3.14Å; E297-L299 VanDerWaalsContact C-N 3.27Å; E297-L299 PolarHBondContact O-N 3.36Å
298	N	33.9	Very low	40.5	Very low	169 Å²	169	127.3 Å²	127.3	90%	0.904	67%	0.666	S	S	*	*			trans	-65.1	79.8	177.1	-70.5	-50.7	0	0	0	110.8
299	L	32.6	Very low	41.7	Very low	129 Å²	129	131.1 Å²	131.1	68%	0.675	67%	0.671	S	S	*	*			trans	-78.5	134.8	169.9	-113.3	84.2	0	0	0	110.5	E297 R301	E297-L299 VanDerWaalsContact C-N 3.27Å; E297-L299 PolarHBondContact O-N 3.36Å; L299-R301 PolarHBondContact O-N 2.96Å
300	P	36.2	Very low	43.3	Very low	111 Å²	111	129 Å²	129	72%	0.721	65%	0.65	S	S	*	*			trans	-73.5	120.7	-167.4	29.4	-31.4	0	0	0	109.6	S302	P300-S302 PolarHBondContact O-N 2.92Å
301	R	35.1	Very low	45	Very low	246 Å²	246	128.9 Å²	128.9	93%	0.928	65%	0.645	S	S	*	*			trans	4.1	66.3	164.9	-81.1	179.5	172.3	163.4	-2.7	113.9	L299 K303	L299-R301 PolarHBondContact O-N 2.96Å; R301-K303 PolarHBondContact O-N 2.93Å
302	S	41.2	Very low	46.4	Very low	90 Å²	90	127.4 Å²	127.4	63%	0.629	64%	0.644	S	S	*	*			trans	-72.4	125.4	165	62.3	0	0	0	0	103.5	P300 I304	P300-S302 PolarHBondContact O-N 2.92Å; S302-I304 PolarHBondContact O-N 3.04Å
303	K	39.7	Very low	48.2	Very low	205 Å²	205	124.5 Å²	124.5	89%	0.891	63%	0.631	S	S	*	*			trans	-59.5	83	175.6	-73.3	174.6	176.2	176.1	0	107.5	R301 N305	R301-K303 PolarHBondContact O-N 2.93Å; K303-N305 VanDerWaalsContact C-N 3.32Å; K303-N305 PolarHBondContact O-N 2.9Å
304	I	47.8	Very low	50	Low	130 Å²	130	116 Å²	116	67%	0.667	60%	0.599	S	S	*	*			trans	-58	107.6	168.2	-65.2	171.4	0	0	0	103.2	S302 L306	S302-I304 PolarHBondContact O-N 3.04Å; I304-L306 PolarHBondContact O-N 3.24Å
305	N	49.2	Very low	51.6	Low	95 Å²	95	116.3 Å²	116.3	51%	0.508	59%	0.592	S	S	.	*			trans	-73	79	-171.5	-149.5	-22.2	0	0	0	106.4	K303 S307 K308 Y309	K303-N305 VanDerWaalsContact C-N 3.32Å; K303-N305 PolarHBondContact O-N 2.9Å; N305-S307 PolarHBondContact O-N 2.77Å; N305-S307 PolarHBondContact OD1-OG 3.28Å; N305-S307 VanDerWaalsContact OD1-OG 3.07Å; N305-K308 WeakPolarHBondContact O-CB 3.14Å; N305-K308 PolarHBondContact O-N 3.18Å; N305-Y309 PolarHBondContact O-N 3.08Å
306	L	52	Low	53.3	Low	66 Å²	66	119.2 Å²	119.2	35%	0.346	60%	0.603	S	S	.	*	H	α-helix	trans	-53.5	-31.1	-170.2	-150.7	77.4	0	0	0	110.6	I304 K308 Y309 F310	I304-L306 PolarHBondContact O-N 3.24Å; L306-K308 PolarHBondContact O-N 2.82Å; L306-Y309 PolarHBondContact O-N 3.24Å; L306-F310 HydrophobicContact CD2-CD2 4.38Å; L306-F310 HydrophobicContact CD2-CE2 3.77Å; L306-F310 HydrophobicContact CG-CD2 4.06Å; L306-F310 HydrophobicContact CG-CE2 3.82Å; L306-F310 VanDerWaalsContact O-CD2 3.28Å; L306-F310 WeakPolarHBondContact O-CD2 3.42Å; L306-F310 PolarHBondContact O-N 2.89Å
307	S	54.6	Low	55.4	Low	64 Å²	64	118.2 Å²	118.2	45%	0.448	58%	0.582	S	S	.	*	H	α-helix	trans	-58	-40.3	173.2	74.7	0	0	0	0	113.9	N305 K311	N305-S307 PolarHBondContact O-N 2.77Å; N305-S307 PolarHBondContact OD1-OG 3.28Å; N305-S307 VanDerWaalsContact OD1-OG 3.07Å; S307-K311 WeakPolarHBondContact O-CG 3.19Å; S307-K311 PolarHBondContact O-N 2.8Å; S307-K311 VanDerWaalsContact O-N 3.1Å
308	K	58.4	Low	57.5	Low	149 Å²	149	112.5 Å²	112.5	65%	0.648	56%	0.556	S	S	*	*	H	α-helix	trans	-69.9	-39.1	176.6	-79.6	-173.3	176.4	-178.4	0	111	N305 L306 K311 C312	N305-K308 WeakPolarHBondContact O-CB 3.14Å; N305-K308 PolarHBondContact O-N 3.18Å; L306-K308 PolarHBondContact O-N 2.82Å; K308-K311 PolarHBondContact O-N 2.79Å; K308-C312 WeakPolarHBondContact O-CB 3.43Å; K308-C312 PolarHBondContact O-N 2.94Å
309	Y	62.9	Low	59.6	Low	151 Å²	151	109.7 Å²	109.7	59%	0.592	54%	0.54	S	S	*	.	H	α-helix	trans	-65.5	-45.7	178.1	-165.1	-91.8	0	0	0	111.4	N305 L306 K311 C312 C313	N305-Y309 PolarHBondContact O-N 3.08Å; L306-Y309 PolarHBondContact O-N 3.24Å; Y309-K311 PolarHBondContact O-N 2.78Å; Y309-C312 WeakPolarHBondContact O-CB 3.41Å; Y309-C312 PolarHBondContact O-N 2.82Å; Y309-C312 VanDerWaalsContact O-N 3.14Å; Y309-C313 VanDerWaalsContact CE1-SG 3.5Å; Y309-C313 PolarHBondContact O-N 2.77Å
310	F	68.5	Low	61.8	Low	59 Å²	59	108.8 Å²	108.8	26%	0.259	54%	0.535	S	S	.	.	H	α-helix	trans	-61.6	-42	175.5	-85.6	-68.6	0	0	0	112.8	L306 C312 C313 H314	L306-F310 HydrophobicContact CD2-CD2 4.38Å; L306-F310 HydrophobicContact CD2-CE2 3.77Å; L306-F310 HydrophobicContact CG-CD2 4.06Å; L306-F310 HydrophobicContact CG-CE2 3.82Å; L306-F310 VanDerWaalsContact O-CD2 3.28Å; L306-F310 WeakPolarHBondContact O-CD2 3.42Å; L306-F310 PolarHBondContact O-N 2.89Å; F310-C312 VanDerWaalsContact C-N 3.3Å; F310-C312 PolarHBondContact O-N 2.9Å; F310-C313 PolarHBondContact O-N 2.78Å; F310-H314 WeakPolarHBondContact O-CB 3.45Å; F310-H314 PolarHBondContact O-N 3.44Å
311	K	69.9	Low	63.9	Low	150 Å²	150	105.5 Å²	105.5	65%	0.652	51%	0.511	S	S	*	.	H	α-helix	trans	-62.1	-37.6	174.1	-77.2	179.7	179	-179.3	0	112.3	S307 K308 Y309 R315	S307-K311 WeakPolarHBondContact O-CG 3.19Å; S307-K311 PolarHBondContact O-N 2.8Å; S307-K311 VanDerWaalsContact O-N 3.1Å; K308-K311 PolarHBondContact O-N 2.79Å; Y309-K311 PolarHBondContact O-N 2.78Å; K311-R315 WeakPolarHBondContact O-CG 3.33Å; K311-R315 PolarHBondContact O-N 3.02Å; K311-R315 VanDerWaalsContact O-N 3.08Å
312	C	70.3	Confident	66	Low	82 Å²	82	97 Å²	97	55%	0.554	49%	0.489	S	S	*	.	H	α-helix	trans	-68.1	-48.5	176.9	-165.5	0	0	0	0	111.6	K308 Y309 F310 H314 R315 L316	K308-C312 WeakPolarHBondContact O-CB 3.43Å; K308-C312 PolarHBondContact O-N 2.94Å; Y309-C312 WeakPolarHBondContact O-CB 3.41Å; Y309-C312 PolarHBondContact O-N 2.82Å; Y309-C312 VanDerWaalsContact O-N 3.14Å; F310-C312 VanDerWaalsContact C-N 3.3Å; F310-C312 PolarHBondContact O-N 2.9Å; C312-H314 VanDerWaalsContact C-N 3.34Å; C312-H314 PolarHBondContact O-N 3.09Å; C312-R315 PolarHBondContact O-N 2.01Å; C312-L316 PolarHBondContact O-N 2.99Å
313	C	72.2	Confident	67.8	Low	42 Å²	42	97.6 Å²	97.6	28%	0.284	48%	0.484	S	S	.	.	H	α-helix	trans	-59.5	-43.7	175	-79.2	0	0	0	0	111.8	Y309 F310 R315 L316 T317	Y309-C313 VanDerWaalsContact CE1-SG 3.5Å; Y309-C313 PolarHBondContact O-N 2.77Å; F310-C313 PolarHBondContact O-N 2.78Å; C313-R315 PolarHBondContact O-N 2.9Å; C313-L316 PolarHBondContact O-N 3.35Å; C313-T317 WeakPolarHBondContact O-CB 3.3Å; C313-T317 PolarHBondContact O-N 2.94Å; C313-T317 PolarHBondContact O-OG1 3Å
314	H	74	Confident	69.7	Low	36 Å²	36	93.1 Å²	93.1	17%	0.167	47%	0.47	C	S	.	.	H	α-helix	trans	-57.2	-51.9	175.8	-178.7	74	0	0	0	110.7	F310 C312 L316 T317 M318 D1081 F1084	F310-H314 WeakPolarHBondContact O-CB 3.45Å; F310-H314 PolarHBondContact O-N 3.44Å; C312-H314 VanDerWaalsContact C-N 3.34Å; C312-H314 PolarHBondContact O-N 3.09Å; H314-L316 VanDerWaalsContact C-N 3.32Å; H314-L316 PolarHBondContact O-N 2.87Å; H314-T317 PolarHBondContact O-N 2.81Å; H314-M318 VanDerWaalsContact O-CG 3.23Å; H314-M318 WeakPolarHBondContact O-CG 2.97Å; H314-M318 PolarHBondContact O-N 2.89Å; H314-D1081 IonicContact CE1-OD1 2.9Å; H314-F1084 HydrophobicContact CB-CD1 3.86Å; H314-F1084 HydrophobicContact CB-CE1 3.85Å; H314-F1084 HydrophobicContact CB-CG 4.22Å; H314-F1084 HydrophobicContact CB-CZ 4.2Å; H314-F1084 AromaticContact CE1-CD2 3.99Å; H314-F1084 AromaticContact ND1-CD1 3.83Å; H314-F1084 AromaticContact ND1-CD2 3.16Å; H314-F1084 WeakPolarHBondContact ND1-CD2 3.23Å; H314-F1084 AromaticContact ND1-CE2 3.65Å; H314-F1084 AromaticContact ND1-CG 3.26Å; H314-F1084 VanDerWaalsContact ND1-CG 3.26Å; H314-F1084 WeakPolarHBondContact ND1-CG 3.14Å
315	R	76.3	Confident	71	Confident	190 Å²	190	88.5 Å²	88.5	72%	0.717	45%	0.446	S	S	*	.	H	α-helix	trans	-57.4	-42.4	176.9	-76.6	-178.5	176.8	-173	-1.7	113	K311 C312 C313 M318 L319	K311-R315 WeakPolarHBondContact O-CG 3.33Å; K311-R315 PolarHBondContact O-N 3.02Å; K311-R315 VanDerWaalsContact O-N 3.08Å; C312-R315 PolarHBondContact O-N 2.01Å; C313-R315 PolarHBondContact O-N 2.9Å; R315-M318 PolarHBondContact O-N 2.95Å; R315-L319 WeakPolarHBondContact O-CB 3.49Å; R315-L319 PolarHBondContact O-N 3.49Å
316	L	77.7	Confident	72.5	Confident	113 Å²	113	90.3 Å²	90.3	59%	0.592	45%	0.449	S	S	*	.	H	α-helix	trans	-65.4	-43.5	178.6	-163.3	83.3	0	0	0	111.6	C312 C313 H314 M318 L319 L320	C312-L316 PolarHBondContact O-N 2.99Å; C313-L316 PolarHBondContact O-N 3.35Å; H314-L316 VanDerWaalsContact C-N 3.32Å; H314-L316 PolarHBondContact O-N 2.87Å; L316-M318 VanDerWaalsContact C-N 3.33Å; L316-M318 PolarHBondContact O-N 2.96Å; L316-L319 WeakPolarHBondContact O-CB 3.35Å; L316-L319 PolarHBondContact O-N 3.36Å; L316-L320 PolarHBondContact O-N 2.87Å
317	T	77.2	Confident	73.7	Confident	56 Å²	56	90.9 Å²	90.9	34%	0.344	46%	0.456	S	S	.	.	H	α-helix	trans	-63.2	-42.2	178.6	-40.2	0	0	0	0	110.5	C313 H314 L320 I321	C313-T317 WeakPolarHBondContact O-CB 3.3Å; C313-T317 PolarHBondContact O-N 2.94Å; C313-T317 PolarHBondContact O-OG1 3Å; H314-T317 PolarHBondContact O-N 2.81Å; T317-L320 PolarHBondContact O-N 2.83Å; T317-I321 HydrophobicContact CG2-CD1 4.35Å; T317-I321 WeakPolarHBondContact O-CG1 3.29Å; T317-I321 PolarHBondContact O-N 3.34Å
318	M	77.1	Confident	74.7	Confident	29 Å²	29	91.1 Å²	91.1	14%	0.143	46%	0.457	C	S	.	.	H	α-helix	trans	-64.3	-42.3	176.1	-64.9	-54.9	-92.4	0	0	112.1	H314 R315 L316 L320 I321 C322 Y1077 V1080	H314-M318 VanDerWaalsContact O-CG 3.23Å; H314-M318 WeakPolarHBondContact O-CG 2.97Å; H314-M318 PolarHBondContact O-N 2.89Å; R315-M318 PolarHBondContact O-N 2.95Å; L316-M318 VanDerWaalsContact C-N 3.33Å; L316-M318 PolarHBondContact O-N 2.96Å; M318-L320 VanDerWaalsContact C-N 3.29Å; M318-L320 PolarHBondContact O-N 3.09Å; M318-I321 PolarHBondContact O-N 2.81Å; M318-C322 WeakPolarHBondContact O-CB 3.44Å; M318-C322 PolarHBondContact O-N 3.42Å; M318-C322 PolarHBondContact O-SG 3.05Å; M318-Y1077 HydrophobicContact CE-CD2 3.03Å; M318-Y1077 HydrophobicContact CE-CE2 3.09Å; M318-Y1077 HydrophobicContact CE-CG 3.92Å; M318-V1080 HydrophobicContact SD-CB 4.3Å; M318-V1080 HydrophobicContact SD-CG1 3.67Å
319	L	78.7	Confident	75.6	Confident	110 Å²	110	85.3 Å²	85.3	58%	0.576	43%	0.433	S	S	*	.	H	α-helix	trans	-58.9	-41.5	174	-111.4	155	0	0	0	112	R315 L316 C322 L323	R315-L319 WeakPolarHBondContact O-CB 3.49Å; R315-L319 PolarHBondContact O-N 3.49Å; L316-L319 WeakPolarHBondContact O-CB 3.35Å; L316-L319 PolarHBondContact O-N 3.36Å; L319-C322 PolarHBondContact O-N 3.46Å; L319-L323 WeakPolarHBondContact O-CB 3.13Å; L319-L323 PolarHBondContact O-N 3.16Å
320	L	79.7	Confident	76.2	Confident	110 Å²	110	80.2 Å²	80.2	58%	0.576	42%	0.418	S	S	*	.	H	α-helix	trans	-68.1	-42.2	179.4	-125.6	136	0	0	0	112.2	L316 T317 M318 L323 L324	L316-L320 PolarHBondContact O-N 2.87Å; T317-L320 PolarHBondContact O-N 2.83Å; M318-L320 VanDerWaalsContact C-N 3.29Å; M318-L320 PolarHBondContact O-N 3.09Å; L320-L323 PolarHBondContact O-N 3.22Å; L320-L324 WeakPolarHBondContact O-CB 3.37Å; L320-L324 PolarHBondContact O-N 3.07Å
321	I	79.1	Confident	76.5	Confident	43 Å²	43	85.1 Å²	85.1	22%	0.221	44%	0.436	C	S	.	.	H	α-helix	trans	-63.2	-46.4	174.4	-68.3	168.6	0	0	0	110.3	T317 M318 L323 L324 I325 L1076 V1080	T317-I321 HydrophobicContact CG2-CD1 4.35Å; T317-I321 WeakPolarHBondContact O-CG1 3.29Å; T317-I321 PolarHBondContact O-N 3.34Å; M318-I321 PolarHBondContact O-N 2.81Å; I321-L323 VanDerWaalsContact C-N 3.33Å; I321-L323 PolarHBondContact O-N 3.04Å; I321-L324 PolarHBondContact O-N 3.28Å; I321-I325 HydrophobicContact CG2-CD1 3.75Å; I321-I325 HydrophobicContact CG2-CG1 4.43Å; I321-I325 VanDerWaalsContact O-CG1 3.3Å; I321-I325 WeakPolarHBondContact O-CG1 3.48Å; I321-I325 PolarHBondContact O-N 2.88Å; I321-L1076 HydrophobicContact CD1-CD2 4.44Å; I321-L1076 HydrophobicContact CG2-CD2 3.79Å; I321-V1080 HydrophobicContact CD1-CG2 3.88Å
322	C	79	Confident	76.6	Confident	68 Å²	68	85.9 Å²	85.9	46%	0.459	44%	0.435	S	S	.	.	H	α-helix	trans	-60.3	-41	176.4	-72.5	0	0	0	0	112.1	M318 L319 I325 F326	M318-C322 WeakPolarHBondContact O-CB 3.44Å; M318-C322 PolarHBondContact O-N 3.42Å; M318-C322 PolarHBondContact O-SG 3.05Å; L319-C322 PolarHBondContact O-N 3.46Å; C322-I325 PolarHBondContact O-N 3.32Å; C322-F326 VanDerWaalsContact O-CB 3.29Å; C322-F326 WeakPolarHBondContact O-CB 2.85Å; C322-F326 PolarHBondContact O-N 3.02Å
323	L	80.1	Confident	76.8	Confident	101 Å²	101	84 Å²	84	53%	0.529	42%	0.419	S	S	.	.	H	α-helix	trans	-63.1	-41.9	174.3	-97.7	156.8	0	0	0	112.5	L319 L320 I321 I325 F326 T327	L319-L323 WeakPolarHBondContact O-CB 3.13Å; L319-L323 PolarHBondContact O-N 3.16Å; L320-L323 PolarHBondContact O-N 3.22Å; I321-L323 VanDerWaalsContact C-N 3.33Å; I321-L323 PolarHBondContact O-N 3.04Å; L323-I325 VanDerWaalsContact C-N 3.34Å; L323-F326 PolarHBondContact O-N 2.83Å; L323-T327 WeakPolarHBondContact O-CB 3.44Å; L323-T327 WeakPolarHBondContact O-CG2 3.47Å; L323-T327 PolarHBondContact O-N 2.81Å; L323-T327 PolarHBondContact O-OG1 2.71Å
324	L	79	Confident	76.8	Confident	111 Å²	111	86.6 Å²	86.6	58%	0.581	43%	0.429	S	S	*	.	H	α-helix	trans	-68.6	-35.4	179.3	-160.2	134.1	0	0	0	111.9	L320 I321 T327 C328	L320-L324 WeakPolarHBondContact O-CB 3.37Å; L320-L324 PolarHBondContact O-N 3.07Å; I321-L324 PolarHBondContact O-N 3.28Å; L324-T327 VanDerWaalsContact CA-OG1 3.29Å; L324-T327 WeakPolarHBondContact CA-OG1 3.4Å; L324-T327 PolarHBondContact O-OG1 2.83Å; L324-C328 PolarHBondContact O-N 2.9Å; L324-C328 VanDerWaalsContact O-N 3.08Å; L324-C328 PolarHBondContact O-SG 3.07Å
325	I	76.3	Confident	76.6	Confident	33 Å²	33	87 Å²	87	17%	0.169	43%	0.433	C	S	.	.	H	α-helix	trans	-71.7	-43.5	173.8	-63.7	167.8	0	0	0	110.8	I321 C322 L323 T327 C328 L329 L1073	I321-I325 HydrophobicContact CG2-CD1 3.75Å; I321-I325 HydrophobicContact CG2-CG1 4.43Å; I321-I325 VanDerWaalsContact O-CG1 3.3Å; I321-I325 WeakPolarHBondContact O-CG1 3.48Å; I321-I325 PolarHBondContact O-N 2.88Å; C322-I325 PolarHBondContact O-N 3.32Å; L323-I325 VanDerWaalsContact C-N 3.34Å; I325-T327 VanDerWaalsContact C-N 3.3Å; I325-T327 PolarHBondContact O-N 3.32Å; I325-C328 WeakPolarHBondContact O-CB 3.41Å; I325-C328 PolarHBondContact O-N 2.67Å; I325-C328 VanDerWaalsContact O-N 3.15Å; I325-L329 HydrophobicContact CG2-CD1 4.22Å; I325-L329 WeakPolarHBondContact O-CB 3.44Å; I325-L329 PolarHBondContact O-N 3Å; I325-L1073 HydrophobicContact CD1-CB 4.48Å; I325-L1073 HydrophobicContact CD1-CD1 3.63Å; I325-L1073 HydrophobicContact CD1-CG 3.79Å; I325-L1073 HydrophobicContact CG2-CD1 4.1Å
326	F	79.4	Confident	76.1	Confident	133 Å²	133	80 Å²	80	58%	0.583	41%	0.406	S	S	*	.	H	α-helix	trans	-60	-41.6	176.8	-175.1	-100	0	0	0	111.4	C322 L323 L329 C330	C322-F326 VanDerWaalsContact O-CB 3.29Å; C322-F326 WeakPolarHBondContact O-CB 2.85Å; C322-F326 PolarHBondContact O-N 3.02Å; L323-F326 PolarHBondContact O-N 2.83Å; F326-L329 WeakPolarHBondContact O-CB 3.35Å; F326-L329 PolarHBondContact O-N 2.92Å; F326-C330 WeakPolarHBondContact CE1-SG 3.3Å; F326-C330 WeakPolarHBondContact O-CB 3.19Å; F326-C330 PolarHBondContact O-N 3.05Å; F326-C330 PolarHBondContact O-SG 3.09Å
327	T	77	Confident	75.6	Confident	79 Å²	79	79 Å²	79	49%	0.485	40%	0.398	S	S	.	.	H	α-helix	trans	-65	-39.6	174.2	46.3	0	0	0	0	112.5	L323 L324 I325 Y331	L323-T327 WeakPolarHBondContact O-CB 3.44Å; L323-T327 WeakPolarHBondContact O-CG2 3.47Å; L323-T327 PolarHBondContact O-N 2.81Å; L323-T327 PolarHBondContact O-OG1 2.71Å; L324-T327 VanDerWaalsContact CA-OG1 3.29Å; L324-T327 WeakPolarHBondContact CA-OG1 3.4Å; L324-T327 PolarHBondContact O-OG1 2.83Å; I325-T327 VanDerWaalsContact C-N 3.3Å; I325-T327 PolarHBondContact O-N 3.32Å; T327-Y331 WeakPolarHBondContact O-CB 3.31Å; T327-Y331 PolarHBondContact O-N 3.28Å
328	C	75.9	Confident	74.9	Confident	68 Å²	68	81.3 Å²	81.3	46%	0.459	41%	0.408	S	S	.	.	H	α-helix	trans	-63.6	-40.1	172.1	-73.8	0	0	0	0	112.9	L324 I325 Y331 R332	L324-C328 PolarHBondContact O-N 2.9Å; L324-C328 VanDerWaalsContact O-N 3.08Å; L324-C328 PolarHBondContact O-SG 3.07Å; I325-C328 WeakPolarHBondContact O-CB 3.41Å; I325-C328 PolarHBondContact O-N 2.67Å; I325-C328 VanDerWaalsContact O-N 3.15Å; C328-Y331 PolarHBondContact O-N 3.19Å; C328-R332 WeakPolarHBondContact O-CB 3.34Å; C328-R332 VanDerWaalsContact O-CG 3.25Å; C328-R332 WeakPolarHBondContact O-CG 3.2Å; C328-R332 PolarHBondContact O-N 2.62Å
329	L	76.6	Confident	73.9	Confident	28 Å²	28	86.8 Å²	86.8	15%	0.147	43%	0.427	C	S	.	.	H	α-helix	trans	-63.1	-50.7	175.5	-91.3	169.3	0	0	0	111.5	I325 F326 Y331 R332 I333 I1065 T1069	I325-L329 HydrophobicContact CG2-CD1 4.22Å; I325-L329 WeakPolarHBondContact O-CB 3.44Å; I325-L329 PolarHBondContact O-N 3Å; F326-L329 WeakPolarHBondContact O-CB 3.35Å; F326-L329 PolarHBondContact O-N 2.92Å; L329-Y331 VanDerWaalsContact C-N 3.28Å; L329-Y331 PolarHBondContact O-N 3.44Å; L329-R332 PolarHBondContact O-N 2.82Å; L329-R332 VanDerWaalsContact O-N 3.17Å; L329-I333 VanDerWaalsContact O-CG1 3.32Å; L329-I333 WeakPolarHBondContact O-CG1 3.18Å; L329-I333 PolarHBondContact O-N 2.99Å; L329-I1065 HydrophobicContact CD2-CG2 3.73Å; L329-T1069 HydrophobicContact CD2-CG2 3.55Å; L329-T1069 WeakPolarHBondContact CD2-OG1 2.85Å; L329-T1069 HydrophobicContact CG-CG2 3.84Å
330	C	76.3	Confident	72.9	Confident	43 Å²	43	86 Å²	86	29%	0.291	42%	0.417	S	S	.	.	H	α-helix	trans	-57.3	-43.7	175.5	-71.8	0	0	0	0	111.1	F326 I333 I334	F326-C330 WeakPolarHBondContact CE1-SG 3.3Å; F326-C330 WeakPolarHBondContact O-CB 3.19Å; F326-C330 PolarHBondContact O-N 3.05Å; F326-C330 PolarHBondContact O-SG 3.09Å; C330-I333 PolarHBondContact O-N 3.09Å; C330-I334 WeakPolarHBondContact O-CB 3.46Å; C330-I334 WeakPolarHBondContact O-CD1 3.27Å; C330-I334 WeakPolarHBondContact O-CG1 3.35Å; C330-I334 PolarHBondContact O-N 2.8Å
331	Y	75.2	Confident	71.6	Confident	162 Å²	162	86.2 Å²	86.2	64%	0.635	42%	0.415	S	S	*	.	H	α-helix	trans	-61	-45.2	176	179.1	-98.5	0	0	0	112.4	T327 C328 L329 I333 I334 D335	T327-Y331 WeakPolarHBondContact O-CB 3.31Å; T327-Y331 PolarHBondContact O-N 3.28Å; C328-Y331 PolarHBondContact O-N 3.19Å; L329-Y331 VanDerWaalsContact C-N 3.28Å; L329-Y331 PolarHBondContact O-N 3.44Å; Y331-I333 PolarHBondContact O-N 2.75Å; Y331-I334 PolarHBondContact O-N 3.43Å; Y331-D335 WeakPolarHBondContact O-CB 3.43Å; Y331-D335 PolarHBondContact O-N 3.34Å
332	R	72.5	Confident	70.1	Confident	166 Å²	166	88.7 Å²	88.7	63%	0.626	43%	0.427	S	S	*	.	H	α-helix	trans	-61.3	-41.6	176.7	-74.5	-91.6	-175.9	166.9	-0.1	112.2	C328 L329 Y336 I1065	C328-R332 WeakPolarHBondContact O-CB 3.34Å; C328-R332 VanDerWaalsContact O-CG 3.25Å; C328-R332 WeakPolarHBondContact O-CG 3.2Å; C328-R332 PolarHBondContact O-N 2.62Å; L329-R332 PolarHBondContact O-N 2.82Å; L329-R332 VanDerWaalsContact O-N 3.17Å; R332-Y336 WeakPolarHBondContact O-CB 3.45Å; R332-Y336 PolarHBondContact O-N 3.17Å; R332-I1065 HydrophobicContact CB-CG2 4.14Å
333	I	73.2	Confident	68.2	Low	44 Å²	44	88.4 Å²	88.4	23%	0.226	42%	0.42	C	S	.	.	H	α-helix	trans	-67.8	-44.4	178.3	-67.8	167.1	0	0	0	110.5	L329 C330 Y331 Y336 F337	L329-I333 VanDerWaalsContact O-CG1 3.32Å; L329-I333 WeakPolarHBondContact O-CG1 3.18Å; L329-I333 PolarHBondContact O-N 2.99Å; C330-I333 PolarHBondContact O-N 3.09Å; Y331-I333 PolarHBondContact O-N 2.75Å; I333-Y336 WeakPolarHBondContact O-CB 3.47Å; I333-Y336 PolarHBondContact O-N 2.89Å; I333-F337 HydrophobicContact CG2-CD2 3.75Å; I333-F337 HydrophobicContact CG2-CE2 3.74Å; I333-F337 VanDerWaalsContact O-CD2 3.3Å; I333-F337 WeakPolarHBondContact O-CD2 3.32Å; I333-F337 PolarHBondContact O-N 2.03Å
334	I	72	Confident	66.4	Low	95 Å²	95	90.2 Å²	90.2	49%	0.487	42%	0.423	S	S	.	.	H	α-helix	trans	-64.1	-44.9	177.4	-67.9	165.1	0	0	0	111	C330 Y331 Y336 F337 N338	C330-I334 WeakPolarHBondContact O-CB 3.46Å; C330-I334 WeakPolarHBondContact O-CD1 3.27Å; C330-I334 WeakPolarHBondContact O-CG1 3.35Å; C330-I334 PolarHBondContact O-N 2.8Å; Y331-I334 PolarHBondContact O-N 3.43Å; I334-Y336 VanDerWaalsContact C-N 3.3Å; I334-Y336 PolarHBondContact O-N 3.44Å; I334-F337 PolarHBondContact O-N 3.47Å; I334-N338 WeakPolarHBondContact O-CB 3.45Å; I334-N338 PolarHBondContact O-N 3.12Å
335	D	69.4	Low	64.5	Low	46 Å²	46	88.5 Å²	88.5	25%	0.246	42%	0.42	C	S	.	.	H	α-helix	trans	-60	-41.4	176.1	-177.1	35.9	0	0	0	111.2	Y331 N338 R339	Y331-D335 WeakPolarHBondContact O-CB 3.43Å; Y331-D335 PolarHBondContact O-N 3.34Å; D335-N338 PolarHBondContact O-N 3.01Å; D335-R339 VanDerWaalsContact O-CG 3.3Å; D335-R339 WeakPolarHBondContact O-CG 3.27Å; D335-R339 PolarHBondContact O-N 2.85Å; D335-R339 IonicContact OD1-CZ 3.53Å; D335-R339 IonicContact OD1-NE 2.75Å; D335-R339 PolarHBondContact OD1-NE 3.19Å; D335-R339 IonicContact OD1-NH2 3.44Å; D335-R339 PolarHBondContact OD1-NH2 2.93Å; D335-R339 IonicContact OD2-CZ 2.66Å; D335-R339 IonicContact OD2-NE 3.54Å; D335-R339 PolarHBondContact OD2-NE 2.85Å; D335-R339 IonicContact OD2-NH2 3.03Å; D335-R339 PolarHBondContact OD2-NH2 2.73Å
336	Y	65.9	Low	62.5	Low	41 Å²	41	91.3 Å²	91.3	16%	0.161	44%	0.435	C	S	.	.	H	α-helix	trans	-59.4	-51.7	173.4	173.1	-99.9	0	0	0	112.4	R332 I333 I334 N338 R339 Y340 P1058 E1061	R332-Y336 WeakPolarHBondContact O-CB 3.45Å; R332-Y336 PolarHBondContact O-N 3.17Å; I333-Y336 WeakPolarHBondContact O-CB 3.47Å; I333-Y336 PolarHBondContact O-N 2.89Å; I334-Y336 VanDerWaalsContact C-N 3.3Å; I334-Y336 PolarHBondContact O-N 3.44Å; Y336-N338 PolarHBondContact O-N 3.29Å; Y336-R339 PolarHBondContact O-N 2.75Å; Y336-Y340 WeakPolarHBondContact O-CB 3.32Å; Y336-Y340 PolarHBondContact O-N 2.91Å; Y336-P1058 HydrophobicContact CE1-CB 4.36Å; Y336-E1061 WeakPolarHBondContact CE2-OE2 3.18Å; Y336-E1061 PolarHBondContact OH-OE2 3.15Å
337	F	67.2	Low	60.4	Low	93 Å²	93	88.9 Å²	88.9	41%	0.408	43%	0.425	S	S	.	.	H	α-helix	trans	-63.1	-40.2	179.5	-86.1	-71.5	0	0	0	112.6	I333 I334 R339 Y340 E341 I1062	I333-F337 HydrophobicContact CG2-CD2 3.75Å; I333-F337 HydrophobicContact CG2-CE2 3.74Å; I333-F337 VanDerWaalsContact O-CD2 3.3Å; I333-F337 WeakPolarHBondContact O-CD2 3.32Å; I333-F337 PolarHBondContact O-N 2.03Å; I334-F337 PolarHBondContact O-N 3.47Å; F337-R339 PolarHBondContact O-N 3.28Å; F337-Y340 PolarHBondContact O-N 2.83Å; F337-E341 WeakPolarHBondContact O-CB 3.34Å; F337-E341 PolarHBondContact O-N 2.83Å; F337-I1062 HydrophobicContact CE2-CD1 4.1Å; F337-I1062 HydrophobicContact CZ-CD1 4.18Å
338	N	63.2	Low	58.2	Low	104 Å²	104	90.7 Å²	90.7	56%	0.556	44%	0.435	S	S	*	.	H	α-helix	trans	-62.9	-42.1	176.8	-79.2	-14.8	0	0	0	111.8	I334 D335 Y336 M342	I334-N338 WeakPolarHBondContact O-CB 3.45Å; I334-N338 PolarHBondContact O-N 3.12Å; D335-N338 PolarHBondContact O-N 3.01Å; Y336-N338 PolarHBondContact O-N 3.29Å; N338-M342 WeakPolarHBondContact O-CB 3.49Å; N338-M342 PolarHBondContact O-N 3Å
339	R	56.1	Low	56	Low	144 Å²	144	95.2 Å²	95.2	54%	0.543	44%	0.444	S	S	.	.	H	α-helix	trans	-65.2	-43.7	174.2	-70.3	179.1	-161.2	-158.5	9.4	111.2	D335 Y336 F337 M342 M343	D335-R339 VanDerWaalsContact O-CG 3.3Å; D335-R339 WeakPolarHBondContact O-CG 3.27Å; D335-R339 PolarHBondContact O-N 2.85Å; D335-R339 IonicContact OD1-CZ 3.53Å; D335-R339 IonicContact OD1-NE 2.75Å; D335-R339 PolarHBondContact OD1-NE 3.19Å; D335-R339 IonicContact OD1-NH2 3.44Å; D335-R339 PolarHBondContact OD1-NH2 2.93Å; D335-R339 IonicContact OD2-CZ 2.66Å; D335-R339 IonicContact OD2-NE 3.54Å; D335-R339 PolarHBondContact OD2-NE 2.85Å; D335-R339 IonicContact OD2-NH2 3.03Å; D335-R339 PolarHBondContact OD2-NH2 2.73Å; Y336-R339 PolarHBondContact O-N 2.75Å; F337-R339 PolarHBondContact O-N 3.28Å; R339-M342 PolarHBondContact O-N 2.75Å; R339-M343 VanDerWaalsContact O-CB 3.3Å; R339-M343 WeakPolarHBondContact O-CB 3.26Å; R339-M343 WeakPolarHBondContact O-CG 3.38Å; R339-M343 PolarHBondContact O-N 2.77Å
340	Y	57.4	Low	53.7	Low	94 Å²	94	99.3 Å²	99.3	37%	0.369	47%	0.466	S	S	.	.	H	α-helix	trans	-62.2	-43.1	178.6	-176.6	-94.7	0	0	0	112.9	Y336 F337 M343 K344	Y336-Y340 WeakPolarHBondContact O-CB 3.32Å; Y336-Y340 PolarHBondContact O-N 2.91Å; F337-Y340 PolarHBondContact O-N 2.83Å; Y340-M343 WeakPolarHBondContact O-CB 3.4Å; Y340-M343 PolarHBondContact O-N 3.03Å; Y340-K344 PolarHBondContact O-N 2.9Å; Y340-K344 VanDerWaalsContact O-N 3.08Å
341	E	52.5	Low	51.2	Low	114 Å²	114	105.7 Å²	105.7	53%	0.533	49%	0.489	S	S	.	.	H	α-helix	trans	-67.1	-43.4	175.3	-83.3	-65.4	148	0	0	112	F337 M343 K344	F337-E341 WeakPolarHBondContact O-CB 3.34Å; F337-E341 PolarHBondContact O-N 2.83Å; E341-M343 PolarHBondContact O-N 3.38Å; E341-K344 PolarHBondContact O-N 2.87Å
342	M	47	Very low	48.9	Very low	95 Å²	95	104.8 Å²	104.8	47%	0.468	49%	0.488	S	S	.	.	H	α-helix	trans	-57.9	-37	170.7	-100.4	-166.1	162.9	0	0	112	F148 N338 R339 S345	F148-M342 HydrophobicContact CD2-CE 3.94Å; N338-M342 WeakPolarHBondContact O-CB 3.49Å; N338-M342 PolarHBondContact O-N 3Å; R339-M342 PolarHBondContact O-N 2.75Å; M342-S345 PolarHBondContact O-OG 2.88Å
343	M	40.3	Very low	46.6	Very low	63 Å²	63	104.9 Å²	104.9	31%	0.31	50%	0.495	S	S	.	.	H	α-helix	trans	-67.3	-37.4	179.8	-79	171.2	174.7	0	0	112.4	R339 Y340 E341 S345 L346 F347 F568	R339-M343 VanDerWaalsContact O-CB 3.3Å; R339-M343 WeakPolarHBondContact O-CB 3.26Å; R339-M343 WeakPolarHBondContact O-CG 3.38Å; R339-M343 PolarHBondContact O-N 2.77Å; Y340-M343 WeakPolarHBondContact O-CB 3.4Å; Y340-M343 PolarHBondContact O-N 3.03Å; E341-M343 PolarHBondContact O-N 3.38Å; M343-S345 PolarHBondContact O-N 2.99Å; M343-L346 PolarHBondContact O-N 2.85Å; M343-L346 VanDerWaalsContact O-N 3.13Å; M343-F347 HydrophobicContact CB-CE2 3.85Å; M343-F347 WeakPolarHBondContact O-CD2 3.21Å; M343-F347 VanDerWaalsContact O-CE2 3.29Å; M343-F347 WeakPolarHBondContact O-CE2 3.25Å; M343-F568 HydrophobicContact CE-CE1 3.37Å; M343-F568 HydrophobicContact CE-CZ 3.71Å; M343-F568 HydrophobicContact CG-CZ 4.14Å; M343-F568 HydrophobicContact SD-CE1 3.98Å; M343-F568 HydrophobicContact SD-CZ 4.2Å
344	K	41.9	Very low	44.4	Very low	139 Å²	139	110.6 Å²	110.6	60%	0.604	53%	0.526	S	S	*	.	H	α-helix	trans	-58.8	-30.9	-177.7	-164.6	177.9	-179.2	-178.2	0	113.2	Y340 E341	Y340-K344 PolarHBondContact O-N 2.9Å; Y340-K344 VanDerWaalsContact O-N 3.08Å; E341-K344 PolarHBondContact O-N 2.87Å
345	S	38.2	Very low	42.3	Very low	74 Å²	74	111.2 Å²	111.2	52%	0.517	54%	0.538	S	S	.	.	H	α-helix	trans	-81.3	-22	-180	65.8	0	0	0	0	114.2	M342 M343	M342-S345 PolarHBondContact O-OG 2.88Å; M343-S345 PolarHBondContact O-N 2.99Å
346	L	35.9	Very low	40.3	Very low	93 Å²	93	118.6 Å²	118.6	49%	0.487	57%	0.568	S	S	.	*	H	α-helix	trans	-78.8	-20.9	176.2	-89.4	136.3	0	0	0	113	M343 V348 L509	M343-L346 PolarHBondContact O-N 2.85Å; M343-L346 VanDerWaalsContact O-N 3.13Å; L346-V348 PolarHBondContact O-N 2.92Å; L346-V348 VanDerWaalsContact O-N 3.16Å; L346-L509 HydrophobicContact CD2-CD2 4.45Å
347	F	34.1	Very low	38.4	Very low	82 Å²	82	127.7 Å²	127.7	36%	0.36	60%	0.602	S	S	.	*			trans	-83.3	91.1	-179.4	-64.5	-62.5	0	0	0	111.8	M343 Y349 F568	M343-F347 HydrophobicContact CB-CE2 3.85Å; M343-F347 WeakPolarHBondContact O-CD2 3.21Å; M343-F347 VanDerWaalsContact O-CE2 3.29Å; M343-F347 WeakPolarHBondContact O-CE2 3.25Å; F347-Y349 HydrophobicContact CB-CD2 3.99Å; F347-Y349 HydrophobicContact CB-CE2 4.42Å; F347-Y349 PolarHBondContact O-N 2.73Å; F347-F568 HydrophobicContact CZ-CZ 4.21Å
348	V	31.8	Very low	36.4	Very low	117 Å²	117	127.6 Å²	127.6	71%	0.709	61%	0.613	S	S	*	*			trans	-70.3	81.5	157	-175.6	0	0	0	0	107.6	L346 N350	L346-V348 PolarHBondContact O-N 2.92Å; L346-V348 VanDerWaalsContact O-N 3.16Å; V348-N350 PolarHBondContact O-N 3.4Å
349	Y	29.9	Very low	34.7	Very low	163 Å²	163	129 Å²	129	64%	0.639	63%	0.625	S	S	*	*			trans	-65.9	85.7	160.5	-100.3	-87.6	0	0	0	107.3	F347 K351	F347-Y349 HydrophobicContact CB-CD2 3.99Å; F347-Y349 HydrophobicContact CB-CE2 4.42Å; F347-Y349 PolarHBondContact O-N 2.73Å; Y349-K351 PolarHBondContact O-N 3.19Å
350	N	27.4	Very low	33.3	Very low	114 Å²	114	131.8 Å²	131.8	61%	0.61	64%	0.637	S	S	*	*			trans	-70.9	87.6	157.8	-87.5	-12.6	0	0	0	106.5	V348 F352	V348-N350 PolarHBondContact O-N 3.4Å; N350-F352 VanDerWaalsContact C-N 3.26Å; N350-F352 PolarHBondContact O-N 3.07Å
351	K	25.1	Very low	31.9	Very low	176 Å²	176	136.4 Å²	136.4	77%	0.765	66%	0.659	S	S	*	*			trans	-53.5	99.6	163.3	-166.4	177.7	-172.4	178.2	0	105.5	Y349 H353	Y349-K351 PolarHBondContact O-N 3.19Å; K351-H353 VanDerWaalsContact C-N 3.29Å; K351-H353 PolarHBondContact O-N 3.28Å
352	F	26.6	Very low	30.8	Very low	144 Å²	144	137.3 Å²	137.3	63%	0.632	67%	0.668	S	S	*	*			trans	-56.8	102.1	172	-79.7	-85.6	0	0	0	106.1	N350 L354	N350-F352 VanDerWaalsContact C-N 3.26Å; N350-F352 PolarHBondContact O-N 3.07Å; F352-L354 VanDerWaalsContact C-N 3.26Å; F352-L354 PolarHBondContact O-N 3.38Å
353	H	24.5	Very low	29.9	Very low	167 Å²	167	139 Å²	139	77%	0.773	68%	0.679	S	S	*	*			trans	-59.4	106.7	155	-93.5	-90.4	0	0	0	103.7	K351 S355	K351-H353 VanDerWaalsContact C-N 3.29Å; K351-H353 PolarHBondContact O-N 3.28Å; H353-S355 VanDerWaalsContact C-N 3.29Å; H353-S355 PolarHBondContact O-N 2.97Å
354	L	26.8	Very low	29.4	Very low	165 Å²	165	143 Å²	143	86%	0.864	70%	0.701	S	S	*	*			trans	-38.5	107.8	157.2	-93.7	136.7	0	0	0	105	F352 K356	F352-L354 VanDerWaalsContact C-N 3.26Å; F352-L354 PolarHBondContact O-N 3.38Å; L354-K356 VanDerWaalsContact C-N 3.3Å; L354-K356 PolarHBondContact O-N 3.02Å
355	S	26.9	Very low	28.8	Very low	107 Å²	107	143.6 Å²	143.6	75%	0.748	71%	0.711	S	S	*	*			trans	-55	106.7	179.6	57.5	0	0	0	0	104.2	H353 R357	H353-S355 VanDerWaalsContact C-N 3.29Å; H353-S355 PolarHBondContact O-N 2.97Å; S355-R357 VanDerWaalsContact C-N 3.32Å; S355-R357 PolarHBondContact O-N 3.42Å
356	K	27.1	Very low	28.4	Very low	202 Å²	202	149 Å²	149	88%	0.878	73%	0.728	S	S	*	*			trans	-51.2	111.5	168.7	-91.5	-178.7	174.4	178.9	0	103.6	L354 S358	L354-K356 VanDerWaalsContact C-N 3.3Å; L354-K356 PolarHBondContact O-N 3.02Å; K356-S358 PolarHBondContact O-N 2.93Å
357	R	26.7	Very low	28	Very low	232 Å²	232	152.6 Å²	152.6	88%	0.875	74%	0.742	S	S	*	*			trans	-11.6	98.7	168.2	-175	176	-169.3	166.2	1.7	108.1	S355 T359	S355-R357 VanDerWaalsContact C-N 3.32Å; S355-R357 PolarHBondContact O-N 3.42Å; R357-T359 VanDerWaalsContact C-N 3.28Å; R357-T359 PolarHBondContact O-N 2.89Å
358	S	25.6	Very low	27.8	Very low	91 Å²	91	155.8 Å²	155.8	64%	0.636	76%	0.763	S	S	*	*			trans	-57.4	105.2	177	41.5	0	0	0	0	104.9	K356 Y360	K356-S358 PolarHBondContact O-N 2.93Å; S358-Y360 PolarHBondContact O-N 3.24Å
359	T	26.6	Very low	27.7	Very low	132 Å²	132	158.6 Å²	158.6	81%	0.81	77%	0.774	S	S	*	*			trans	-56.7	98.2	161.6	28	0	0	0	0	104.3	R357 K361	R357-T359 VanDerWaalsContact C-N 3.28Å; R357-T359 PolarHBondContact O-N 2.89Å; T359-K361 PolarHBondContact O-N 3.39Å
360	Y	27.3	Very low	27.6	Very low	203 Å²	203	160.1 Å²	160.1	80%	0.796	78%	0.784	S	S	*	*			trans	-48.1	104.4	172.8	-110.9	-100.2	0	0	0	106.6	S358 N362	S358-Y360 PolarHBondContact O-N 3.24Å; Y360-N362 PolarHBondContact O-N 3.23Å
361	K	28.9	Very low	27.6	Very low	191 Å²	191	161.9 Å²	161.9	83%	0.83	79%	0.793	S	S	*	*			trans	-79	105.2	166.4	-136.9	178.6	-177.1	-176.6	0	103.7	T359 N363	T359-K361 PolarHBondContact O-N 3.39Å; K361-N363 VanDerWaalsContact C-N 3.3Å; K361-N363 PolarHBondContact O-N 3.12Å
362	N	28.9	Very low	27.8	Very low	133 Å²	133	162.2 Å²	162.2	71%	0.711	80%	0.802	S	S	*	*			trans	-53	96	170.7	-84.5	-9.9	0	0	0	108.5	Y360	Y360-N362 PolarHBondContact O-N 3.23Å
363	N	27.1	Very low	27.9	Very low	132 Å²	132	159.8 Å²	159.8	71%	0.706	80%	0.803	S	S	*	*			trans	-98.6	107.2	156.7	-84.4	7.4	0	0	0	105.7	K361 D365	K361-N363 VanDerWaalsContact C-N 3.3Å; K361-N363 PolarHBondContact O-N 3.12Å; N363-D365 VanDerWaalsContact C-N 3.3Å; N363-D365 PolarHBondContact O-N 3.08Å
364	N	30.4	Very low	27.9	Very low	145 Å²	145	161 Å²	161	78%	0.775	81%	0.811	S	S	*	*			trans	-64.4	87	173.4	-67.5	-23.3	0	0	0	109.1
365	D	29.1	Very low	28	Very low	152 Å²	152	160.7 Å²	160.7	81%	0.813	81%	0.809	S	S	*	*			trans	-111.2	83.7	161.3	-73.4	-31	0	0	0	107.8	N363 E367	N363-D365 VanDerWaalsContact C-N 3.3Å; N363-D365 PolarHBondContact O-N 3.08Å; D365-E367 PolarHBondContact O-N 3.26Å
366	H	29.1	Very low	28.2	Very low	188 Å²	188	161.3 Å²	161.3	87%	0.87	81%	0.81	S	S	*	*			trans	-59.7	113.1	158.8	-114	-58.7	0	0	0	107.8
367	E	28.8	Very low	28.3	Very low	168 Å²	168	161.2 Å²	161.2	79%	0.785	81%	0.813	S	S	*	*			trans	172.5	145.1	130.9	-97.6	178.1	164	0	0	112	D365	D365-E367 PolarHBondContact O-N 3.26Å
368	N	29.7	Very low	28.5	Very low	149 Å²	149	158 Å²	158	80%	0.797	81%	0.808	S	S	*	*			trans	91.9	50.2	170.1	-49.8	-38.8	0	0	0	118.3	K370	N368-K370 PolarHBondContact O-N 3.17Å
369	N	29.7	Very low	28.7	Very low	177 Å²	177	163.3 Å²	163.3	95%	0.947	82%	0.823	S	S	*	*			trans	-71.9	94.1	144.6	-79.1	-24.9	0	0	0	109.5
370	K	26.7	Very low	29.1	Very low	194 Å²	194	163 Å²	163	84%	0.843	81%	0.812	S	S	*	*			trans	-150.2	120.1	158.9	-137.9	174.4	-175	177	0	111.9	N368	N368-K370 PolarHBondContact O-N 3.17Å
371	L	27.7	Very low	29.4	Very low	151 Å²	151	161.3 Å²	161.3	79%	0.791	82%	0.816	S	S	*	*			trans	86.3	67	151.5	-137.3	76.2	0	0	0	117.8	S373	L371-S373 PolarHBondContact O-N 3.13Å
372	L	29.7	Very low	30.1	Very low	183 Å²	183	155.7 Å²	155.7	96%	0.958	80%	0.795	S	S	*	*			trans	-77.1	93.1	147.8	-130.3	89	0	0	0	107.4	M374	L372-M374 PolarHBondContact O-N 3.25Å
373	S	28.3	Very low	31.2	Very low	93 Å²	93	152.1 Å²	152.1	65%	0.65	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-71.7	122.2	173.6	50.7	0	0	0	0	110.2	L371 I375	L371-S373 PolarHBondContact O-N 3.13Å; S373-I375 PolarHBondContact O-N 2.85Å
374	M	24.1	Very low	32.9	Very low	192 Å²	192	150 Å²	150	95%	0.946	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-46.9	124.4	170.5	-84.2	167.7	145.9	0	0	112.4	L372	L372-M374 PolarHBondContact O-N 3.25Å
375	I	30	Very low	35.2	Very low	159 Å²	159	147.9 Å²	147.9	82%	0.815	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-93.8	138.9	165.4	-64.3	173.9	0	0	0	107.8	S373	S373-I375 PolarHBondContact O-N 2.85Å
376	P	31.1	Very low	37.9	Very low	120 Å²	120	140.6 Å²	140.6	78%	0.779	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-80.6	159.2	-166.8	-1.3	20	0	0	0	114	E378	P376-E378 PolarHBondContact O-N 3.32Å
377	E	29.5	Very low	40.8	Very low	200 Å²	200	131.8 Å²	131.8	94%	0.935	67%	0.67	S	S	*	*			trans	-63.1	111.8	-175	-59	178.3	151.8	0	0	113.2
378	E	29.6	Very low	43.8	Very low	166 Å²	166	123.9 Å²	123.9	78%	0.776	63%	0.634	S	S	*	*			trans	-125	134.6	153.2	-81.4	-173.1	171.6	0	0	108.6	P376 H380	P376-E378 PolarHBondContact O-N 3.32Å; E378-H380 PolarHBondContact O-N 3.42Å; E378-H380 PolarHBondContact O-ND1 2.84Å
379	E	29.6	Very low	46.8	Very low	201 Å²	201	116.8 Å²	116.8	94%	0.939	60%	0.596	S	S	*	*			trans	-53.2	93.2	-170	-64.6	176.9	146.2	0	0	113.6	N381	E379-N381 PolarHBondContact O-N 2.85Å
380	H	35	Very low	49.9	Very low	125 Å²	125	108.5 Å²	108.5	58%	0.579	55%	0.552	S	S	*	*			trans	-82.2	97.4	178.6	-86	62.5	0	0	0	111.5	E378 I382 Q521	E378-H380 PolarHBondContact O-N 3.42Å; E378-H380 PolarHBondContact O-ND1 2.84Å; H380-I382 VanDerWaalsContact C-N 3.35Å; H380-I382 PolarHBondContact O-N 3.01Å; H380-Q521 PolarHBondContact CD2-NE2 3.1Å; H380-Q521 PolarHBondContact NE2-NE2 2.94Å
381	N	35.3	Very low	53	Low	168 Å²	168	99.3 Å²	99.3	90%	0.898	51%	0.511	S	S	*	.			trans	-60.5	96	157.5	-107.1	-29.8	0	0	0	109.1	E379 S383	E379-N381 PolarHBondContact O-N 2.85Å; N381-S383 PolarHBondContact O-N 3Å; N381-S383 VanDerWaalsContact O-N 3.08Å
382	I	43	Very low	56	Low	74 Å²	74	92.5 Å²	92.5	38%	0.379	48%	0.476	S	S	.	.			trans	-51.9	111.6	-177.2	-56.8	151.7	0	0	0	109.7	H380 N384 H626	H380-I382 VanDerWaalsContact C-N 3.35Å; H380-I382 PolarHBondContact O-N 3.01Å; I382-N384 PolarHBondContact O-N 3.28Å; I382-N384 VanDerWaalsContact O-N 3.1Å; I382-H626 HydrophobicContact CD1-CB 4.45Å; I382-H626 WeakPolarHBondContact CD1-CE1 3.44Å; I382-H626 WeakPolarHBondContact CD1-ND1 3.4Å; I382-H626 HydrophobicContact CG1-CB 4.37Å; I382-H626 VanDerWaalsContact CG1-CE1 3.48Å; I382-H626 WeakPolarHBondContact CG1-CE1 3.36Å; I382-H626 VanDerWaalsContact CG1-ND1 3.29Å; I382-H626 WeakPolarHBondContact CG1-ND1 3.38Å; I382-H626 HydrophobicContact CG2-CB 3.86Å
383	S	51.8	Low	58.7	Low	57 Å²	57	84.8 Å²	84.8	40%	0.399	44%	0.435	S	S	.	.			trans	-71.8	110.1	-175.9	73.8	0	0	0	0	110.4	N381 W385	N381-S383 PolarHBondContact O-N 3Å; N381-S383 VanDerWaalsContact O-N 3.08Å; S383-W385 PolarHBondContact O-N 3.4Å
384	N	63.5	Low	61.6	Low	89 Å²	89	80.4 Å²	80.4	48%	0.476	41%	0.405	S	S	.	.			trans	-63.3	17	167.5	-74	-20	0	0	0	113.7	I382 P486	I382-N384 PolarHBondContact O-N 3.28Å; I382-N384 VanDerWaalsContact O-N 3.1Å; N384-P486 WeakPolarHBondContact O-CD 3Å; N384-P486 WeakPolarHBondContact O-CG 3.3Å
385	W	78.8	Confident	64.5	Low	99 Å²	99	71.8 Å²	71.8	38%	0.375	36%	0.363	S	S	.	.			trans	-114.8	135.1	-167.9	-64.9	53.3	0	0	0	109.7	S383 K483 L484 K485	S383-W385 PolarHBondContact O-N 3.4Å; W385-K483 HydrophobicContact CD2-CB 4.43Å; W385-K483 HydrophobicContact CE3-CB 3.54Å; W385-K483 HydrophobicContact CZ3-CB 4.07Å; W385-L484 CarbonylContact C-O 3.48Å; W385-L484 WeakPolarHBondContact CA-O 2.98Å; W385-L484 WeakPolarHBondContact CB-O 2.92Å; W385-K485 HydrophobicContact CD2-CG 3.83Å; W385-K485 HydrophobicContact CE3-CG 4.07Å; W385-K485 HydrophobicContact CH2-CD 4.39Å; W385-K485 HydrophobicContact CH2-CG 3.97Å; W385-K485 HydrophobicContact CZ2-CD 4.05Å; W385-K485 HydrophobicContact CZ2-CG 3.67Å; W385-K485 HydrophobicContact CZ3-CG 4.14Å
386	F	85.2	Confident	67.2	Low	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	162.7	169.6	66.3	-89.6	0	0	0	110	I388 L484 K485 I516 P518 L576 F1037	F386-I388 HydrophobicContact CE2-CG1 4.43Å; F386-L484 HydrophobicContact CD1-CB 4.32Å; F386-L484 WeakPolarHBondContact CD1-O 3.29Å; F386-L484 HydrophobicContact CD2-CB 4.15Å; F386-L484 HydrophobicContact CD2-CD1 4.45Å; F386-L484 HydrophobicContact CE1-CB 3.8Å; F386-L484 HydrophobicContact CE2-CB 3.62Å; F386-L484 HydrophobicContact CE2-CD1 3.5Å; F386-L484 VanDerWaalsContact CE2-CD1 3.5Å; F386-L484 HydrophobicContact CE2-CG 4.18Å; F386-L484 HydrophobicContact CG-CB 4.48Å; F386-L484 HydrophobicContact CZ-CB 3.43Å; F386-L484 VanDerWaalsContact CZ-CB 3.43Å; F386-L484 HydrophobicContact CZ-CD1 3.74Å; F386-L484 HydrophobicContact CZ-CG 4.26Å; F386-L484 PolarHBondContact N-O 3.33Å; F386-L484 PolarHBondContact O-N 3.43Å; F386-K485 WeakPolarHBondContact CE1-O 3.08Å; F386-I516 HydrophobicContact CD2-CG2 4.45Å; F386-P518 WeakPolarHBondContact CA-O 3.4Å; F386-L576 HydrophobicContact CD1-CD1 4.18Å; F386-L576 HydrophobicContact CD1-CD2 4.32Å; F386-L576 HydrophobicContact CE1-CD1 3.83Å; F386-L576 HydrophobicContact CG-CD2 4.46Å; F386-L576 HydrophobicContact CZ-CD1 4.41Å; F386-F1037 HydrophobicContact CD2-CE1 4.2Å; F386-F1037 HydrophobicContact CE1-CD1 4.46Å; F386-F1037 AromaticContact CE2-CD1 3.76Å; F386-F1037 HydrophobicContact CE2-CD1 3.76Å; F386-F1037 AromaticContact CE2-CE1 3.2Å; F386-F1037 HydrophobicContact CE2-CE1 3.2Å; F386-F1037 HydrophobicContact CE2-CE2 4.26Å; F386-F1037 HydrophobicContact CE2-CG 4.48Å; F386-F1037 AromaticContact CE2-CZ 3.52Å; F386-F1037 HydrophobicContact CE2-CZ 3.52Å; F386-F1037 AromaticContact CZ-CD1 3.59Å; F386-F1037 HydrophobicContact CZ-CD1 3.59Å; F386-F1037 HydrophobicContact CZ-CD2 4.13Å; F386-F1037 AromaticContact CZ-CE1 3.5Å; F386-F1037 HydrophobicContact CZ-CE1 3.5Å; F386-F1037 VanDerWaalsContact CZ-CE1 3.5Å; F386-F1037 HydrophobicContact CZ-CE2 4.06Å; F386-F1037 AromaticContact CZ-CG 3.93Å; F386-F1037 HydrophobicContact CZ-CG 3.93Å; F386-F1037 AromaticContact CZ-CZ 3.76Å; F386-F1037 HydrophobicContact CZ-CZ 3.76Å
387	T	88.9	Confident	69.9	Low	2 Å²	2	59.2 Å²	59.2	1%	0.012	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	131.3	-173	-60.3	0	0	0	0	111.3	R481 M482 H517 E520 A523	T387-R481 HydrophobicContact CG2-CB 4.01Å; T387-R481 HydrophobicContact CG2-CG 4.01Å; T387-M482 WeakPolarHBondContact CA-O 3.27Å; T387-H517 PolarHBondContact N-O 3.05Å; T387-H517 PolarHBondContact O-N 3.18Å; T387-E520 PolarHBondContact OG1-N 3.3Å; T387-A523 HydrophobicContact CG2-CB 4.38Å
388	I	92.5	Very high	72.7	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.015	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	130.9	168.5	-60.2	-179.7	0	0	0	108.3	F386 R481 M482 L484 L514 W515 F1037	F386-I388 HydrophobicContact CE2-CG1 4.43Å; I388-R481 CarbonylContact O-C 3.53Å; I388-R481 VanDerWaalsContact O-CA 3.25Å; I388-R481 WeakPolarHBondContact O-CA 3.47Å; I388-M482 HydrophobicContact CD1-CE 4.27Å; I388-M482 PolarHBondContact N-O 3.43Å; I388-M482 PolarHBondContact O-N 3.34Å; I388-L484 HydrophobicContact CD1-CD1 3.4Å; I388-L484 HydrophobicContact CG1-CD1 3.94Å; I388-L514 HydrophobicContact CG2-CD1 3.33Å; I388-L514 HydrophobicContact CG2-CG 4.28Å; I388-W515 CarbonylContact C-O 3.54Å; I388-W515 WeakPolarHBondContact CA-O 3.22Å; I388-F1037 HydrophobicContact CD1-CZ 3.9Å
389	T	93.6	Very high	75.4	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130.1	171.6	-51.9	0	0	0	0	109.7	C479 R481 L514 W515 H517 L527	T389-C479 HydrophobicContact CG2-CB 4.15Å; T389-R481 HydrophobicContact CG2-CG 4.05Å; T389-L514 WeakPolarHBondContact O-CA 3.17Å; T389-W515 HydrophobicContact CG2-CE3 4.39Å; T389-W515 PolarHBondContact N-O 3.03Å; T389-W515 PolarHBondContact O-N 3.01Å; T389-H517 PolarHBondContact OG1-CD2 3.2Å; T389-H517 PolarHBondContact OG1-NE2 2.99Å; T389-L527 HydrophobicContact CG2-CD1 3.82Å
390	L	94.1	Very high	78.1	Confident	3 Å²	3	32.8 Å²	32.8	2%	0.016	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127.1	178.2	177.9	75.5	0	0	0	109.9	L450 C479 Y480 L495 F512 L514 F1033	L390-L450 HydrophobicContact CD2-CD1 4.17Å; L390-C479 CarbonylContact O-C 3.48Å; L390-C479 WeakPolarHBondContact O-CA 3.43Å; L390-C479 WeakPolarHBondContact O-CB 3.21Å; L390-Y480 PolarHBondContact N-O 3.14Å; L390-Y480 PolarHBondContact O-N 3.31Å; L390-L495 HydrophobicContact CD1-CD1 3.97Å; L390-L495 HydrophobicContact CD2-CD1 3.57Å; L390-L495 HydrophobicContact CD2-CD2 4.08Å; L390-L495 HydrophobicContact CD2-CG 4.49Å; L390-L495 HydrophobicContact CG-CD1 4.36Å; L390-F512 HydrophobicContact CD1-CB 3.61Å; L390-F512 HydrophobicContact CD1-CD1 3.83Å; L390-F512 HydrophobicContact CD1-CG 3.9Å; L390-F512 HydrophobicContact CD2-CD1 4.33Å; L390-F512 HydrophobicContact CG-CD1 4Å; L390-L514 HydrophobicContact CD1-CD1 4.26Å; L390-F1033 HydrophobicContact CD1-CE1 4.36Å; L390-F1033 HydrophobicContact CD1-CZ 4.17Å
391	C	91.5	Very high	80.5	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	137.7	174.8	-57.6	0	0	0	0	109.9	C479 F512 H513 W515	C391-C479 HydrophobicContact CB-CB 4.06Å; C391-C479 WeakPolarHBondContact CB-SG 2.97Å; C391-C479 WeakPolarHBondContact SG-CB 3.44Å; C391-C479 CovalentContact SG-SG 2.01Å; C391-C479 PolarHBondContact SG-SG 3.07Å; C391-F512 CarbonylContact O-C 3.52Å; C391-F512 WeakPolarHBondContact O-CA 2.89Å; C391-F512 WeakPolarHBondContact O-CB 3.07Å; C391-H513 HydrophobicContact CB-CB 4.46Å; C391-H513 PolarHBondContact N-O 3.26Å; C391-H513 PolarHBondContact O-N 3.38Å; C391-W515 HydrophobicContact CB-CH2 4.35Å; C391-W515 HydrophobicContact CB-CZ3 3.84Å; C391-W515 WeakPolarHBondContact SG-CZ3 3.25Å
392	N	91.8	Very high	83	Confident	8 Å²	8	18.9 Å²	18.9	4%	0.043	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	137.7	169.7	-166.8	-44.9	0	0	0	108.6	N394 H448 M453 S497 Y502 G511 F512	N392-N394 PolarHBondContact O-N 3.18Å; N392-N394 PolarHBondContact OD1-N 3.23Å; N392-H448 HydrophobicContact CB-CB 4.39Å; N392-M453 HydrophobicContact CB-SD 4.35Å; N392-M453 PolarHBondContact ND2-SD 3.31Å; N392-M453 VanDerWaalsContact ND2-SD 3.37Å; N392-S497 PolarHBondContact ND2-O 3.16Å; N392-S497 VanDerWaalsContact ND2-O 3.13Å; N392-Y502 PolarHBondContact OD1-OH 3.39Å; N392-G511 PolarHBondContact OD1-O 3.45Å; N392-F512 HydrophobicContact CB-CD1 4.11Å; N392-F512 HydrophobicContact CB-CE1 3.91Å
393	L	86.5	Confident	84.7	Confident	21 Å²	21	16.6 Å²	16.6	11%	0.11	9%	0.088	C	C	.	.	S	Bend	trans	-57.1	-33.2	176.5	-86.6	172.1	0	0	0	111.8	P395 H506 L509 G511 H513 T563	L393-P395 WeakPolarHBondContact O-CD 3.45Å; L393-H506 PolarHBondContact O-CE1 2.74Å; L393-H506 PolarHBondContact O-NE2 3.47Å; L393-L509 HydrophobicContact CD1-CB 4.37Å; L393-G511 WeakPolarHBondContact CB-O 3.13Å; L393-G511 PolarHBondContact N-O 3.19Å; L393-H513 WeakPolarHBondContact CD2-CD2 3.45Å; L393-H513 WeakPolarHBondContact CD2-NE2 3.32Å; L393-T563 HydrophobicContact CD1-CG2 3.75Å; L393-T563 HydrophobicContact CD2-CG2 4.05Å; L393-T563 HydrophobicContact CG-CG2 4.25Å
394	N	87.6	Confident	86	Confident	1 Å²	1	15.9 Å²	15.9	1%	0.005	8%	0.079	C	C	.	.	S	Bend	trans	-89.8	110.9	170.9	-177.1	50.3	0	0	0	110.3	N392 I396 H448 D501 Y502 H506	N392-N394 PolarHBondContact O-N 3.18Å; N392-N394 PolarHBondContact OD1-N 3.23Å; N394-I396 VanDerWaalsContact C-N 3.29Å; N394-I396 PolarHBondContact ND2-O 3.08Å; N394-I396 PolarHBondContact O-N 3.33Å; N394-I396 PolarHBondContact OD1-O 3.06Å; N394-H448 PolarHBondContact ND2-NE2 2.78Å; N394-H448 PolarHBondContact O-CD2 3.12Å; N394-H448 PolarHBondContact O-NE2 3.13Å; N394-D501 PolarHBondContact ND2-O 3.37Å; N394-Y502 HydrophobicContact CB-CD1 3.77Å; N394-Y502 HydrophobicContact CB-CD2 3.64Å; N394-Y502 HydrophobicContact CB-CE1 3.7Å; N394-Y502 HydrophobicContact CB-CE2 3.54Å; N394-Y502 HydrophobicContact CB-CG 3.74Å; N394-H506 WeakPolarHBondContact CA-NE2 3.44Å; N394-H506 PolarHBondContact OD1-NE2 3.04Å
395	P	85.5	Confident	86.6	Confident	11 Å²	11	18.4 Å²	18.4	7%	0.071	9%	0.088	C	C	.	.			trans	-74.3	-18.8	-176.5	28.8	-35.1	0	0	0	113.4	L393 L443 F548	L393-P395 WeakPolarHBondContact O-CD 3.45Å; P395-L443 HydrophobicContact CB-CD1 4.42Å; P395-F548 HydrophobicContact CG-CE2 4.19Å; P395-F548 HydrophobicContact CG-CZ 4.41Å
396	I	86.8	Confident	86.6	Confident	2 Å²	2	18.1 Å²	18.1	1%	0.01	9%	0.094	C	C	.	.	S	Bend	trans	-134.6	119.6	-170.3	-61.9	179.9	0	0	0	110.1	N394 L401 I414 I438 L443 I503 F548	N394-I396 VanDerWaalsContact C-N 3.29Å; N394-I396 PolarHBondContact ND2-O 3.08Å; N394-I396 PolarHBondContact O-N 3.33Å; N394-I396 PolarHBondContact OD1-O 3.06Å; I396-L401 HydrophobicContact CG2-CB 4.15Å; I396-L401 HydrophobicContact CG2-CD2 4.23Å; I396-I414 HydrophobicContact CD1-CD1 3.9Å; I396-I438 HydrophobicContact CD1-CD1 3.62Å; I396-L443 HydrophobicContact CD1-CD1 4.11Å; I396-L443 HydrophobicContact CG1-CD1 3.8Å; I396-I503 HydrophobicContact CB-CD1 3.88Å; I396-I503 HydrophobicContact CG2-CD1 3.48Å; I396-I503 VanDerWaalsContact CG2-CD1 3.48Å; I396-I503 VanDerWaalsContact O-CD1 3.31Å; I396-I503 WeakPolarHBondContact O-CD1 3.31Å; I396-I503 WeakPolarHBondContact O-CG1 2.91Å; I396-F548 HydrophobicContact CD1-CD2 4.15Å; I396-F548 HydrophobicContact CD1-CE2 3.55Å; I396-F548 HydrophobicContact CD1-CZ 4.46Å; I396-F548 HydrophobicContact CG1-CE2 4.34Å
397	R	88.9	Confident	86.6	Confident	13 Å²	13	18.1 Å²	18.1	5%	0.049	9%	0.094	C	C	.	.			trans	-68.9	124.8	168.3	-75.6	-172.1	-65.7	166.8	9.1	111	S399 A400 L401 T446 G447 H448 E452 D501	R397-S399 VanDerWaalsContact C-N 3.32Å; R397-S399 PolarHBondContact O-N 2.93Å; R397-A400 HydrophobicContact CB-CB 3.91Å; R397-A400 PolarHBondContact O-N 3.1Å; R397-L401 WeakPolarHBondContact O-CB 3.03Å; R397-L401 PolarHBondContact O-N 2.89Å; R397-T446 VanDerWaalsContact CB-O 3.27Å; R397-T446 WeakPolarHBondContact CB-O 3.42Å; R397-T446 PolarHBondContact N-O 3.11Å; R397-G447 VanDerWaalsContact CZ-O 3.3Å; R397-G447 PolarHBondContact NE-O 2.94Å; R397-G447 PolarHBondContact NH2-O 3.23Å; R397-G447 VanDerWaalsContact NH2-O 3.13Å; R397-H448 HydrophobicContact CG-CB 4.39Å; R397-H448 VanDerWaalsContact CG-CE1 3.41Å; R397-H448 WeakPolarHBondContact CG-CE1 3.44Å; R397-H448 WeakPolarHBondContact CG-ND1 3.35Å; R397-H448 WeakPolarHBondContact CG-NE2 3.29Å; R397-E452 IonicContact NH1-OE1 3.84Å; R397-E452 IonicContact NH1-OE2 2.63Å; R397-E452 PolarHBondContact NH1-OE2 2.87Å; R397-D501 WeakPolarHBondContact CB-OD2 3.48Å; R397-D501 WeakPolarHBondContact CG-OD2 3.44Å
398	G	86.7	Confident	86.5	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-57.7	-47.3	173.6	0	0	0	0	0	111.5	A400 L401 F402 D501 I670	G398-A400 PolarHBondContact O-N 3.33Å; G398-L401 WeakPolarHBondContact O-CB 3.46Å; G398-L401 PolarHBondContact O-N 3.19Å; G398-F402 WeakPolarHBondContact O-CD2 3.35Å; G398-F402 PolarHBondContact O-N 3.29Å; G398-F402 VanDerWaalsContact O-N 3.07Å; G398-D501 WeakPolarHBondContact CA-OD1 3.35Å; G398-D501 PolarHBondContact N-O 3.36Å; G398-D501 VanDerWaalsContact N-O 3.14Å; G398-D501 PolarHBondContact N-OD1 3.25Å; G398-D501 VanDerWaalsContact N-OD1 3.11Å; G398-I670 WeakPolarHBondContact O-CD1 3.47Å
399	S	85.8	Confident	86.1	Confident	1 Å²	1	24.3 Å²	24.3	1%	0.007	12%	0.121	C	C	.	.	H	α-helix	trans	-57.5	-36.8	-177.4	69.6	0	0	0	0	112.1	R397 D501 R666 I670	R397-S399 VanDerWaalsContact C-N 3.32Å; R397-S399 PolarHBondContact O-N 2.93Å; S399-D501 VanDerWaalsContact CB-OD1 3.29Å; S399-D501 WeakPolarHBondContact CB-OD1 3.31Å; S399-D501 WeakPolarHBondContact CB-OD2 3.49Å; S399-D501 PolarHBondContact N-OD1 2.94Å; S399-D501 VanDerWaalsContact OG-CG 3.32Å; S399-D501 PolarHBondContact OG-OD1 3.32Å; S399-D501 PolarHBondContact OG-OD2 3.19Å; S399-R666 WeakPolarHBondContact O-CD 3.39Å; S399-R666 PolarHBondContact O-NH1 3.15Å; S399-I670 VanDerWaalsContact N-CD1 3.33Å
400	A	86.6	Confident	85.5	Confident	12 Å²	12	26.1 Å²	26.1	10%	0.099	13%	0.13	C	C	.	.	H	α-helix	trans	-77.1	-41.1	175.3	0	0	0	0	0	111.4	R397 G398 F402 T403 T446	R397-A400 HydrophobicContact CB-CB 3.91Å; R397-A400 PolarHBondContact O-N 3.1Å; G398-A400 PolarHBondContact O-N 3.33Å; A400-F402 VanDerWaalsContact C-N 3.32Å; A400-F402 PolarHBondContact O-N 2.86Å; A400-T403 WeakPolarHBondContact O-CB 3.27Å; A400-T403 PolarHBondContact O-N 2.94Å; A400-T403 PolarHBondContact O-OG1 3.29Å; A400-T446 HydrophobicContact CB-CG2 4.1Å
401	L	86.8	Confident	85.2	Confident	1 Å²	1	26.3 Å²	26.3	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-58.5	-42.2	-179	-178.3	61.4	0	0	0	112.4	I396 R397 G398 T403 I404 G407 I410 Y411 I414 L442 T446 I503	I396-L401 HydrophobicContact CG2-CB 4.15Å; I396-L401 HydrophobicContact CG2-CD2 4.23Å; R397-L401 WeakPolarHBondContact O-CB 3.03Å; R397-L401 PolarHBondContact O-N 2.89Å; G398-L401 WeakPolarHBondContact O-CB 3.46Å; G398-L401 PolarHBondContact O-N 3.19Å; L401-T403 PolarHBondContact O-N 2.59Å; L401-I404 HydrophobicContact CD1-CD1 4.34Å; L401-I404 WeakPolarHBondContact O-CD1 3.41Å; L401-I404 PolarHBondContact O-N 2.86Å; L401-G407 VanDerWaalsContact O-CA 3.25Å; L401-G407 WeakPolarHBondContact O-CA 3.17Å; L401-I410 HydrophobicContact CD1-CB 4.12Å; L401-I410 HydrophobicContact CD1-CD1 4.45Å; L401-I410 HydrophobicContact CD1-CG2 3.84Å; L401-I410 HydrophobicContact CD2-CG2 4.27Å; L401-Y411 HydrophobicContact CD2-CD2 4.28Å; L401-I414 HydrophobicContact CD2-CD1 4.18Å; L401-L442 HydrophobicContact CD1-CD1 4.41Å; L401-T446 HydrophobicContact CB-CG2 4.31Å; L401-T446 HydrophobicContact CD1-CG2 4.4Å; L401-I503 HydrophobicContact CD2-CD1 3.91Å
402	F	86.9	Confident	84.8	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-10.5	179.1	-83.3	-102.9	0	0	0	114.1	G398 A400 I404 Y411 I670 N834 L837 L840	G398-F402 WeakPolarHBondContact O-CD2 3.35Å; G398-F402 PolarHBondContact O-N 3.29Å; G398-F402 VanDerWaalsContact O-N 3.07Å; A400-F402 VanDerWaalsContact C-N 3.32Å; A400-F402 PolarHBondContact O-N 2.86Å; F402-I404 PolarHBondContact O-N 3.07Å; F402-Y411 HydrophobicContact CE2-CD1 4.34Å; F402-Y411 AromaticContact CE2-CD2 3.67Å; F402-Y411 HydrophobicContact CE2-CD2 3.67Å; F402-Y411 HydrophobicContact CE2-CE2 4.31Å; F402-Y411 AromaticContact CE2-CG 3.68Å; F402-Y411 HydrophobicContact CE2-CG 3.68Å; F402-Y411 HydrophobicContact CZ-CD1 4.25Å; F402-Y411 HydrophobicContact CZ-CD2 4.38Å; F402-Y411 AromaticContact CZ-CG 3.99Å; F402-Y411 HydrophobicContact CZ-CG 3.99Å; F402-I670 HydrophobicContact CB-CD1 4.4Å; F402-I670 HydrophobicContact CD2-CD1 3.43Å; F402-I670 VanDerWaalsContact CD2-CD1 3.43Å; F402-I670 HydrophobicContact CD2-CG1 3.7Å; F402-I670 HydrophobicContact CE2-CB 4.48Å; F402-I670 HydrophobicContact CE2-CD1 3.88Å; F402-I670 HydrophobicContact CE2-CG1 3.75Å; F402-I670 HydrophobicContact CE2-CG2 3.95Å; F402-I670 HydrophobicContact CG-CD1 4.05Å; F402-I670 HydrophobicContact CG-CG1 4.2Å; F402-I670 HydrophobicContact CZ-CG1 4.3Å; F402-N834 PolarHBondContact O-ND2 2.92Å; F402-L837 HydrophobicContact CB-CD2 4.45Å; F402-L840 HydrophobicContact CB-CD1 3.84Å; F402-L840 HydrophobicContact CD1-CD1 3.6Å; F402-L840 HydrophobicContact CD1-CD2 3.96Å; F402-L840 HydrophobicContact CD1-CG 3.67Å; F402-L840 HydrophobicContact CE1-CD1 4.32Å; F402-L840 HydrophobicContact CE1-CD2 3.82Å; F402-L840 HydrophobicContact CE1-CG 4.01Å; F402-L840 HydrophobicContact CG-CD1 3.78Å; F402-L840 HydrophobicContact CG-CG 4.35Å; F402-L840 HydrophobicContact CZ-CD2 4.39Å
403	T	79.4	Confident	84.2	Confident	26 Å²	26	29 Å²	29	16%	0.16	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-14.1	172.3	68.8	0	0	0	0	113.7	A400 L401 Y829 N834	A400-T403 WeakPolarHBondContact O-CB 3.27Å; A400-T403 PolarHBondContact O-N 2.94Å; A400-T403 PolarHBondContact O-OG1 3.29Å; L401-T403 PolarHBondContact O-N 2.59Å; T403-Y829 HydrophobicContact CG2-CE1 4.26Å; T403-N834 PolarHBondContact O-ND2 2.81Å
404	I	78.9	Confident	83.8	Confident	41 Å²	41	28.2 Å²	28.2	21%	0.21	14%	0.142	C	C	.	.	S	Bend	trans	-89.2	146	176.9	-61.1	120.6	0	0	0	109.2	L401 F402 N406 G407 L442 T446 N834	L401-I404 HydrophobicContact CD1-CD1 4.34Å; L401-I404 WeakPolarHBondContact O-CD1 3.41Å; L401-I404 PolarHBondContact O-N 2.86Å; F402-I404 PolarHBondContact O-N 3.07Å; I404-N406 VanDerWaalsContact C-N 3.28Å; I404-N406 PolarHBondContact O-N 3.08Å; I404-G407 PolarHBondContact O-N 3.06Å; I404-L442 HydrophobicContact CD1-CD1 3.16Å; I404-L442 HydrophobicContact CG1-CD1 4Å; I404-T446 HydrophobicContact CD1-CG2 3.72Å; I404-N834 VanDerWaalsContact C-ND2 3.3Å; I404-N834 PolarHBondContact O-ND2 3.13Å; I404-N834 VanDerWaalsContact O-ND2 3.15Å
405	Q	75.9	Confident	83.4	Confident	142 Å²	142	28.8 Å²	28.8	66%	0.664	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-44.6	-175.7	-72.5	176.7	-11	0	0	113	N834 S836	Q405-N834 PolarHBondContact O-OD1 2.84Å; Q405-S836 PolarHBondContact O-OG 2.9Å; Q405-S836 VanDerWaalsContact O-OG 3.08Å
406	N	79.8	Confident	82.9	Confident	94 Å²	94	34 Å²	34	50%	0.503	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	16.6	179.3	-69.1	-28.2	0	0	0	113.9	I404 S408 K409 I410	I404-N406 VanDerWaalsContact C-N 3.28Å; I404-N406 PolarHBondContact O-N 3.08Å; N406-S408 PolarHBondContact O-N 3.33Å; N406-K409 PolarHBondContact O-N 3.44Å; N406-K409 VanDerWaalsContact O-N 3.14Å; N406-I410 HydrophobicContact CB-CD1 4.45Å; N406-I410 WeakPolarHBondContact O-CG1 3.14Å; N406-I410 PolarHBondContact O-N 2.85Å; N406-I410 VanDerWaalsContact O-N 3.07Å
407	G	83.9	Confident	82	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-54.2	-45	-174.4	0	0	0	0	0	114.1	L401 I404 K409 I410 Y411 S836	L401-G407 VanDerWaalsContact O-CA 3.25Å; L401-G407 WeakPolarHBondContact O-CA 3.17Å; I404-G407 PolarHBondContact O-N 3.06Å; G407-K409 PolarHBondContact O-N 2.8Å; G407-I410 PolarHBondContact O-N 3.43Å; G407-Y411 WeakPolarHBondContact O-CB 3.06Å; G407-Y411 PolarHBondContact O-N 3.13Å; G407-S836 PolarHBondContact N-OG 3.37Å
408	S	86.3	Confident	81.1	Confident	4 Å²	4	34.3 Å²	34.3	3%	0.028	17%	0.168	C	C	.	.	H	α-helix	trans	-59.3	-42.5	177.8	172.3	0	0	0	0	112.7	N406 Y411 D412 R673 R688 S836 E839	N406-S408 PolarHBondContact O-N 3.33Å; S408-Y411 WeakPolarHBondContact O-CB 3.46Å; S408-Y411 PolarHBondContact O-N 2.67Å; S408-D412 VanDerWaalsContact O-CG 3.32Å; S408-D412 PolarHBondContact O-N 3.38Å; S408-R673 PolarHBondContact OG-NH2 3.32Å; S408-R688 PolarHBondContact OG-NH2 2.92Å; S408-S836 PolarHBondContact N-OG 2.59Å; S408-E839 VanDerWaalsContact CB-OE2 3.29Å; S408-E839 WeakPolarHBondContact CB-OE2 3.3Å; S408-E839 PolarHBondContact OG-OE1 3.4Å; S408-E839 PolarHBondContact OG-OE2 3Å
409	K	84.6	Confident	80.1	Confident	130 Å²	130	37.6 Å²	37.6	57%	0.565	18%	0.183	S	C	*	.	H	α-helix	trans	-68.4	-42	177.7	-66	180	-179	175.9	0	111.9	N406 G407 Y411 D412 N413	N406-K409 PolarHBondContact O-N 3.44Å; N406-K409 VanDerWaalsContact O-N 3.14Å; G407-K409 PolarHBondContact O-N 2.8Å; K409-Y411 VanDerWaalsContact C-N 3.31Å; K409-D412 PolarHBondContact O-N 3.14Å; K409-N413 PolarHBondContact O-N 3.41Å
410	I	82.2	Confident	78.7	Confident	38 Å²	38	41.4 Å²	41.4	20%	0.195	20%	0.204	C	C	.	.	H	α-helix	trans	-63.5	-41.9	177.1	-62.7	167.9	0	0	0	109.8	L401 N406 G407 N413 I414 I438 L442	L401-I410 HydrophobicContact CD1-CB 4.12Å; L401-I410 HydrophobicContact CD1-CD1 4.45Å; L401-I410 HydrophobicContact CD1-CG2 3.84Å; L401-I410 HydrophobicContact CD2-CG2 4.27Å; N406-I410 HydrophobicContact CB-CD1 4.45Å; N406-I410 WeakPolarHBondContact O-CG1 3.14Å; N406-I410 PolarHBondContact O-N 2.85Å; N406-I410 VanDerWaalsContact O-N 3.07Å; G407-I410 PolarHBondContact O-N 3.43Å; I410-N413 PolarHBondContact O-N 2.77Å; I410-I414 HydrophobicContact CG2-CD1 3.76Å; I410-I414 HydrophobicContact CG2-CG1 4.38Å; I410-I414 VanDerWaalsContact O-CG1 3.31Å; I410-I414 WeakPolarHBondContact O-CG1 3.47Å; I410-I414 PolarHBondContact O-N 2.74Å; I410-I438 HydrophobicContact CG2-CD1 4.45Å; I410-L442 HydrophobicContact CD1-CD2 3.84Å
411	Y	86.3	Confident	77.2	Confident	7 Å²	7	44.5 Å²	44.5	3%	0.027	22%	0.216	C	C	.	.	H	α-helix	trans	-58.6	-50.9	174.7	-178.9	-87.8	0	0	0	111.6	L401 F402 G407 S408 K409 N413 I414 I415 I503 I670 R673	L401-Y411 HydrophobicContact CD2-CD2 4.28Å; F402-Y411 HydrophobicContact CE2-CD1 4.34Å; F402-Y411 AromaticContact CE2-CD2 3.67Å; F402-Y411 HydrophobicContact CE2-CD2 3.67Å; F402-Y411 HydrophobicContact CE2-CE2 4.31Å; F402-Y411 AromaticContact CE2-CG 3.68Å; F402-Y411 HydrophobicContact CE2-CG 3.68Å; F402-Y411 HydrophobicContact CZ-CD1 4.25Å; F402-Y411 HydrophobicContact CZ-CD2 4.38Å; F402-Y411 AromaticContact CZ-CG 3.99Å; F402-Y411 HydrophobicContact CZ-CG 3.99Å; G407-Y411 WeakPolarHBondContact O-CB 3.06Å; G407-Y411 PolarHBondContact O-N 3.13Å; S408-Y411 WeakPolarHBondContact O-CB 3.46Å; S408-Y411 PolarHBondContact O-N 2.67Å; K409-Y411 VanDerWaalsContact C-N 3.31Å; Y411-N413 VanDerWaalsContact C-N 3.26Å; Y411-N413 PolarHBondContact O-N 2.9Å; Y411-I414 PolarHBondContact O-N 3.21Å; Y411-I415 HydrophobicContact CD1-CG1 3.84Å; Y411-I415 HydrophobicContact CE1-CD1 4.09Å; Y411-I415 HydrophobicContact CE1-CG1 3.45Å; Y411-I415 VanDerWaalsContact CE1-CG1 3.45Å; Y411-I415 HydrophobicContact CE2-CD1 4.28Å; Y411-I415 HydrophobicContact CE2-CG1 4.23Å; Y411-I415 HydrophobicContact CG-CG1 4.37Å; Y411-I415 VanDerWaalsContact O-CG1 3.31Å; Y411-I415 WeakPolarHBondContact O-CG1 3.31Å; Y411-I415 PolarHBondContact O-N 3.17Å; Y411-I503 HydrophobicContact CD2-CD1 4.16Å; Y411-I503 HydrophobicContact CD2-CG1 4.19Å; Y411-I503 HydrophobicContact CD2-CG2 3.93Å; Y411-I503 HydrophobicContact CE2-CB 4.23Å; Y411-I503 HydrophobicContact CE2-CD1 4.46Å; Y411-I503 HydrophobicContact CE2-CG1 3.98Å; Y411-I503 HydrophobicContact CE2-CG2 3.67Å; Y411-I670 HydrophobicContact CD2-CG2 4.27Å; Y411-I670 HydrophobicContact CE2-CG2 3.53Å; Y411-R673 VanDerWaalsContact CD1-NH1 3.29Å
412	D	84	Confident	75.3	Confident	11 Å²	11	47.1 Å²	47.1	6%	0.059	23%	0.23	C	C	.	.	H	α-helix	trans	-57.3	-40.5	178.2	-69.8	-24	0	0	0	111.8	S408 K409 K416 R673 R688	S408-D412 VanDerWaalsContact O-CG 3.32Å; S408-D412 PolarHBondContact O-N 3.38Å; K409-D412 PolarHBondContact O-N 3.14Å; D412-K416 WeakPolarHBondContact O-CB 3.33Å; D412-K416 VanDerWaalsContact O-CG 3.25Å; D412-K416 WeakPolarHBondContact O-CG 3.31Å; D412-K416 PolarHBondContact O-N 2.93Å; D412-R673 VanDerWaalsContact CG-NH2 3.29Å; D412-R673 IonicContact OD1-CZ 2.93Å; D412-R673 VanDerWaalsContact OD1-CZ 3.26Å; D412-R673 IonicContact OD1-NH1 3.1Å; D412-R673 PolarHBondContact OD1-NH1 2.8Å; D412-R673 IonicContact OD1-NH2 3.85Å; D412-R673 PolarHBondContact OD1-NH2 3.03Å; D412-R673 IonicContact OD2-NH2 3.89Å; D412-R673 PolarHBondContact OD2-NH2 3.45Å; D412-R688 IonicContact OD2-CZ 3.3Å; D412-R688 IonicContact OD2-NH1 3.1Å; D412-R688 PolarHBondContact OD2-NH1 3.12Å; D412-R688 IonicContact OD2-NH2 3.14Å; D412-R688 PolarHBondContact OD2-NH2 3.38Å
413	N	79.1	Confident	73.2	Confident	55 Å²	55	52.3 Å²	52.3	29%	0.294	26%	0.257	S	S	.	.	H	α-helix	trans	-65.7	-46.5	177	-72.7	-3.5	0	0	0	112	K409 I410 Y411 I415 K416 I417	K409-N413 PolarHBondContact O-N 3.41Å; I410-N413 PolarHBondContact O-N 2.77Å; Y411-N413 VanDerWaalsContact C-N 3.26Å; Y411-N413 PolarHBondContact O-N 2.9Å; N413-I415 VanDerWaalsContact C-N 3.35Å; N413-I415 PolarHBondContact O-N 2.98Å; N413-K416 PolarHBondContact O-N 3.48Å; N413-I417 VanDerWaalsContact O-CG1 3.3Å; N413-I417 WeakPolarHBondContact O-CG1 3.31Å; N413-I417 PolarHBondContact O-N 3.32Å
414	I	78.6	Confident	71.4	Confident	4 Å²	4	59.3 Å²	59.3	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-60.5	-45.1	177.6	-70.2	165.2	0	0	0	110.7	I396 L401 I410 Y411 I417 R418 I438 I503 F548	I396-I414 HydrophobicContact CD1-CD1 3.9Å; L401-I414 HydrophobicContact CD2-CD1 4.18Å; I410-I414 HydrophobicContact CG2-CD1 3.76Å; I410-I414 HydrophobicContact CG2-CG1 4.38Å; I410-I414 VanDerWaalsContact O-CG1 3.31Å; I410-I414 WeakPolarHBondContact O-CG1 3.47Å; I410-I414 PolarHBondContact O-N 2.74Å; Y411-I414 PolarHBondContact O-N 3.21Å; I414-I417 PolarHBondContact O-N 3.42Å; I414-R418 WeakPolarHBondContact O-CG 3.06Å; I414-R418 PolarHBondContact O-N 2.72Å; I414-I438 HydrophobicContact CD1-CD1 3.79Å; I414-I438 HydrophobicContact CG1-CD1 4.17Å; I414-I503 HydrophobicContact CG2-CG2 3.71Å; I414-F548 HydrophobicContact CB-CE1 4.36Å; I414-F548 HydrophobicContact CD1-CE2 4.42Å; I414-F548 HydrophobicContact CD1-CZ 4.48Å; I414-F548 HydrophobicContact CG1-CD1 4.36Å; I414-F548 HydrophobicContact CG1-CE1 4.21Å; I414-F548 HydrophobicContact CG1-CE2 4.45Å; I414-F548 HydrophobicContact CG1-CZ 4.23Å; I414-F548 HydrophobicContact CG2-CD1 4.44Å; I414-F548 HydrophobicContact CG2-CE1 3.58Å; I414-F548 HydrophobicContact CG2-CZ 3.62Å
415	I	77.9	Confident	69.5	Low	12 Å²	12	63.5 Å²	63.5	6%	0.062	31%	0.309	C	S	.	.	H	α-helix	trans	-63	-44.9	179.4	-68.4	-66.7	0	0	0	111.1	Y411 N413 I417 R418 Q419 I503 I504	Y411-I415 HydrophobicContact CD1-CG1 3.84Å; Y411-I415 HydrophobicContact CE1-CD1 4.09Å; Y411-I415 HydrophobicContact CE1-CG1 3.45Å; Y411-I415 VanDerWaalsContact CE1-CG1 3.45Å; Y411-I415 HydrophobicContact CE2-CD1 4.28Å; Y411-I415 HydrophobicContact CE2-CG1 4.23Å; Y411-I415 HydrophobicContact CG-CG1 4.37Å; Y411-I415 VanDerWaalsContact O-CG1 3.31Å; Y411-I415 WeakPolarHBondContact O-CG1 3.31Å; Y411-I415 PolarHBondContact O-N 3.17Å; N413-I415 VanDerWaalsContact C-N 3.35Å; N413-I415 PolarHBondContact O-N 2.98Å; I415-I417 VanDerWaalsContact C-N 3.32Å; I415-I417 PolarHBondContact O-N 2.63Å; I415-R418 PolarHBondContact O-N 2.86Å; I415-Q419 HydrophobicContact CG2-CG 4.16Å; I415-Q419 WeakPolarHBondContact O-CB 3.43Å; I415-Q419 WeakPolarHBondContact O-CG 3.33Å; I415-Q419 PolarHBondContact O-N 3.28Å; I415-I503 HydrophobicContact CD1-CG2 3.52Å; I415-I503 HydrophobicContact CG1-CG2 4.07Å; I415-I504 WeakPolarHBondContact CD1-O 3.31Å
416	K	74.8	Confident	67.7	Low	122 Å²	122	60.2 Å²	60.2	53%	0.53	31%	0.313	S	S	.	.	H	α-helix	trans	-59.8	-42.7	176.5	-76.1	173.8	-179.2	-176.9	0	112	D412 N413 N420	D412-K416 WeakPolarHBondContact O-CB 3.33Å; D412-K416 VanDerWaalsContact O-CG 3.25Å; D412-K416 WeakPolarHBondContact O-CG 3.31Å; D412-K416 PolarHBondContact O-N 2.93Å; N413-K416 PolarHBondContact O-N 3.48Å; K416-N420 PolarHBondContact O-N 2.87Å; K416-N420 PolarHBondContact O-ND2 3.29Å
417	I	68.8	Low	65.5	Low	18 Å²	18	62 Å²	62	9%	0.092	32%	0.321	C	S	.	.	H	α-helix	trans	-59	-48.3	174.9	-72.2	166.5	0	0	0	110.3	N413 I414 I415 N420 N549	N413-I417 VanDerWaalsContact O-CG1 3.3Å; N413-I417 WeakPolarHBondContact O-CG1 3.31Å; N413-I417 PolarHBondContact O-N 3.32Å; I414-I417 PolarHBondContact O-N 3.42Å; I415-I417 VanDerWaalsContact C-N 3.32Å; I415-I417 PolarHBondContact O-N 2.63Å; I417-N420 PolarHBondContact O-N 3.49Å; I417-N549 WeakPolarHBondContact CG2-OD1 3.47Å
418	R	69.4	Low	63.3	Low	2 Å²	2	68.1 Å²	68.1	1%	0.008	36%	0.359	C	S	.	.	H	α-helix	trans	-69.5	-34.4	-178.3	-73.7	-177.4	170.8	-169.7	-7.4	114.2	I414 I415 N420 E421 I503 H506	I414-R418 WeakPolarHBondContact O-CG 3.06Å; I414-R418 PolarHBondContact O-N 2.72Å; I415-R418 PolarHBondContact O-N 2.86Å; R418-N420 VanDerWaalsContact C-N 3.32Å; R418-E421 WeakPolarHBondContact O-CB 3.49Å; R418-E421 PolarHBondContact O-N 3.29Å; R418-I503 PolarHBondContact NH1-O 3.49Å; R418-H506 VanDerWaalsContact CZ-CE1 3.5Å; R418-H506 VanDerWaalsContact CZ-NE2 3.32Å; R418-H506 PolarHBondContact NH1-CD2 3.34Å; R418-H506 PolarHBondContact NH1-NE2 3.47Å; R418-H506 PolarHBondContact NH2-CE1 2.84Å; R418-H506 PolarHBondContact NH2-NE2 3.38Å
419	Q	65.2	Low	61	Low	69 Å²	69	76 Å²	76	32%	0.322	39%	0.392	S	S	.	.	H	α-helix	trans	-64.7	-39	175.9	-77	173.2	-14.8	0	0	111.6	I415 E421 I422 D423	I415-Q419 HydrophobicContact CG2-CG 4.16Å; I415-Q419 WeakPolarHBondContact O-CB 3.43Å; I415-Q419 WeakPolarHBondContact O-CG 3.33Å; I415-Q419 PolarHBondContact O-N 3.28Å; Q419-E421 PolarHBondContact O-N 3.01Å; Q419-E421 VanDerWaalsContact O-N 3.16Å; Q419-I422 PolarHBondContact O-N 3.29Å; Q419-D423 PolarHBondContact O-N 2.97Å
420	N	57.7	Low	58.8	Low	82 Å²	82	78 Å²	78	44%	0.439	40%	0.401	S	S	.	.	H	α-helix	trans	-63.5	-19.1	175.3	-64.1	-23.6	0	0	0	113	K416 I417 R418	K416-N420 PolarHBondContact O-N 2.87Å; K416-N420 PolarHBondContact O-ND2 3.29Å; I417-N420 PolarHBondContact O-N 3.49Å; R418-N420 VanDerWaalsContact C-N 3.32Å
421	E	54.1	Low	56.9	Low	77 Å²	77	79.5 Å²	79.5	36%	0.36	41%	0.412	S	S	.	.	H	α-helix	trans	-78.2	-21.7	173.4	-61.1	-175.4	150.4	0	0	113	R418 Q419 Q552	R418-E421 WeakPolarHBondContact O-CB 3.49Å; R418-E421 PolarHBondContact O-N 3.29Å; Q419-E421 PolarHBondContact O-N 3.01Å; Q419-E421 VanDerWaalsContact O-N 3.16Å; E421-Q552 PolarHBondContact OE2-NE2 3.39Å; E421-Q552 VanDerWaalsContact OE2-NE2 3.1Å
422	I	48.3	Very low	54.6	Low	55 Å²	55	85.9 Å²	85.9	28%	0.282	45%	0.446	S	S	.	.	H	α-helix	trans	-95.2	-27.9	-176.9	-63	161.5	0	0	0	111.4	Q419 F424 P505	Q419-I422 PolarHBondContact O-N 3.29Å; I422-F424 WeakPolarHBondContact O-CD2 3.35Å; I422-F424 WeakPolarHBondContact O-CE2 3.18Å; I422-F424 PolarHBondContact O-N 2.9Å; I422-P505 HydrophobicContact CD1-CB 3.39Å; I422-P505 HydrophobicContact CD1-CG 3.18Å
423	D	41.8	Very low	52.8	Low	109 Å²	109	90.2 Å²	90.2	58%	0.583	47%	0.47	S	S	*	.			trans	-65.7	86	167.8	-75.4	-16	0	0	0	108.2	Q419 N425	Q419-D423 PolarHBondContact O-N 2.97Å; D423-N425 CarbonylContact O-C 3.54Å; D423-N425 PolarHBondContact O-N 3.45Å
424	F	41.3	Very low	51.4	Low	173 Å²	173	94 Å²	94	76%	0.759	49%	0.49	S	S	*	.			trans	-58	-2.2	179.7	-69.8	-82.3	0	0	0	114	I422 G426	I422-F424 WeakPolarHBondContact O-CD2 3.35Å; I422-F424 WeakPolarHBondContact O-CE2 3.18Å; I422-F424 PolarHBondContact O-N 2.9Å; F424-G426 VanDerWaalsContact C-N 3.28Å; F424-G426 PolarHBondContact O-N 3.48Å
425	N	38.6	Very low	50.2	Low	130 Å²	130	98.1 Å²	98.1	70%	0.695	51%	0.512	S	S	*	.	S	Bend	trans	-66.9	92.2	165.4	-67.4	-9.2	0	0	0	106.9	D423 I427	D423-N425 CarbonylContact O-C 3.54Å; D423-N425 PolarHBondContact O-N 3.45Å; N425-I427 PolarHBondContact O-N 2.95Å
426	G	38	Very low	49.3	Very low	73 Å²	73	98 Å²	98	75%	0.753	51%	0.514	S	S	*	.			trans	-54	18.9	-174.7	0	0	0	0	0	118	F424 T428	F424-G426 VanDerWaalsContact C-N 3.28Å; F424-G426 PolarHBondContact O-N 3.48Å; G426-T428 PolarHBondContact O-N 3.19Å
427	I	34.1	Very low	48.9	Very low	132 Å²	132	94.7 Å²	94.7	68%	0.677	50%	0.501	S	S	*	.			trans	-67.8	79.4	156	-44.9	177.1	0	0	0	107.3	N425 K429	N425-I427 PolarHBondContact O-N 2.95Å; I427-K429 HydrophobicContact CG2-CG 4.01Å; I427-K429 PolarHBondContact O-N 3.31Å
428	T	38.5	Very low	49.1	Very low	127 Å²	127	94.3 Å²	94.3	78%	0.779	50%	0.5	S	S	*	.			trans	-58.5	83.5	156.7	41.9	0	0	0	0	107.3	G426 K430	G426-T428 PolarHBondContact O-N 3.19Å; T428-K430 PolarHBondContact O-N 3.29Å
429	K	37.5	Very low	49.4	Very low	169 Å²	169	96.7 Å²	96.7	74%	0.735	52%	0.516	S	S	*	.			trans	-61.6	94.2	161.2	-83	-176.2	178.5	174.2	0	104.3	I427 V431	I427-K429 HydrophobicContact CG2-CG 4.01Å; I427-K429 PolarHBondContact O-N 3.31Å; K429-V431 VanDerWaalsContact C-N 3.27Å; K429-V431 PolarHBondContact O-N 2.95Å
430	K	39.1	Very low	50.1	Low	173 Å²	173	95 Å²	95	75%	0.752	51%	0.508	S	S	*	.			trans	-51.6	102.7	164.8	-85.2	-176.4	173.2	-178.9	0	105.4	T428 N432	T428-K430 PolarHBondContact O-N 3.29Å; K430-N432 PolarHBondContact O-N 3.32Å
431	V	42.1	Very low	51	Low	70 Å²	70	94.7 Å²	94.7	42%	0.424	52%	0.517	S	S	.	.			trans	-67.1	90.9	167.7	179.5	0	0	0	0	103.9	K429 D433	K429-V431 VanDerWaalsContact C-N 3.27Å; K429-V431 PolarHBondContact O-N 2.95Å; V431-D433 HydrophobicContact CG1-CB 4.39Å; V431-D433 PolarHBondContact O-N 3.37Å
432	N	37.9	Very low	52.3	Low	140 Å²	140	92 Å²	92	75%	0.749	51%	0.505	S	S	*	.			trans	-71.1	13.5	-177	-91.5	-5.7	0	0	0	113.1	K430	K430-N432 PolarHBondContact O-N 3.32Å
433	D	46.3	Very low	53.9	Low	103 Å²	103	89.4 Å²	89.4	55%	0.551	49%	0.491	S	S	*	.	S	Bend	trans	-94.9	132.9	178.2	-65.4	-23.7	0	0	0	109.3	V431 N435	V431-D433 HydrophobicContact CG1-CB 4.39Å; V431-D433 PolarHBondContact O-N 3.37Å; D433-N435 HydrophobicContact CB-CB 4.06Å; D433-N435 WeakPolarHBondContact CB-ND2 3.46Å; D433-N435 PolarHBondContact O-N 3.05Å
434	N	48.4	Very low	55.9	Low	134 Å²	134	90.3 Å²	90.3	72%	0.717	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-52.6	9.3	168.5	-70.9	-29.7	0	0	0	114.8	G436 L437	N434-G436 PolarHBondContact O-N 3.37Å; N434-L437 HydrophobicContact CB-CD1 4.34Å; N434-L437 PolarHBondContact O-N 3.02Å
435	N	53.5	Low	57.8	Low	91 Å²	91	89 Å²	89	49%	0.487	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-70.8	-12	-177.9	-68.2	-14.3	0	0	0	113.9	D433 L437	D433-N435 HydrophobicContact CB-CB 4.06Å; D433-N435 WeakPolarHBondContact CB-ND2 3.46Å; D433-N435 PolarHBondContact O-N 3.05Å; N435-L437 VanDerWaalsContact C-N 3.34Å
436	G	59.6	Low	60.1	Low	9 Å²	9	82.8 Å²	82.8	9%	0.093	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-82	-6.3	175.4	0	0	0	0	0	114.5	N434 I438 F548	N434-G436 PolarHBondContact O-N 3.37Å; G436-I438 PolarHBondContact O-N 2.82Å; G436-F548 WeakPolarHBondContact O-CB 3.3Å; G436-F548 PolarHBondContact O-N 2.86Å
437	L	65.8	Low	62.6	Low	52 Å²	52	79.4 Å²	79.4	27%	0.272	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	120.3	-175.7	-72.8	168.3	0	0	0	112.2	N434 N435 T540 A545 V546 D547	N434-L437 HydrophobicContact CB-CD1 4.34Å; N434-L437 PolarHBondContact O-N 3.02Å; N435-L437 VanDerWaalsContact C-N 3.34Å; L437-T540 HydrophobicContact CD1-CG2 3.82Å; L437-T540 HydrophobicContact CD2-CG2 3.57Å; L437-T540 HydrophobicContact CG-CG2 4.17Å; L437-A545 HydrophobicContact CB-CB 4.24Å; L437-A545 HydrophobicContact CD2-CB 4.03Å; L437-V546 WeakPolarHBondContact CA-O 3.37Å; L437-D547 HydrophobicContact CD2-CB 4.32Å
438	I	73.5	Confident	65.3	Low	11 Å²	11	73.3 Å²	73.3	6%	0.056	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	132.9	174.7	-61.3	-169.8	0	0	0	108.6	I396 I410 I414 G436 L442 L443 V546 F548	I396-I438 HydrophobicContact CD1-CD1 3.62Å; I410-I438 HydrophobicContact CG2-CD1 4.45Å; I414-I438 HydrophobicContact CD1-CD1 3.79Å; I414-I438 HydrophobicContact CG1-CD1 4.17Å; G436-I438 PolarHBondContact O-N 2.82Å; I438-L442 HydrophobicContact CG2-CB 4.19Å; I438-L442 HydrophobicContact CG2-CD2 3.82Å; I438-L442 HydrophobicContact CG2-CG 3.92Å; I438-L443 HydrophobicContact CG2-CB 4.36Å; I438-V546 PolarHBondContact N-O 2.95Å; I438-V546 PolarHBondContact O-N 2.95Å; I438-F548 HydrophobicContact CD1-CB 4.1Å; I438-F548 HydrophobicContact CD1-CD2 3.37Å; I438-F548 HydrophobicContact CD1-CE2 4.03Å; I438-F548 HydrophobicContact CD1-CG 3.96Å; I438-F548 HydrophobicContact CG1-CB 4.27Å; I438-F548 HydrophobicContact CG1-CD2 4.33Å
439	S	76.4	Confident	67.9	Low	51 Å²	51	71.7 Å²	71.7	36%	0.357	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	145.7	178.8	72.7	0	0	0	0	112	A441 L442 L443 N544	S439-A441 PolarHBondContact O-N 3.41Å; S439-L442 WeakPolarHBondContact O-CB 3.43Å; S439-L442 PolarHBondContact O-N 3.46Å; S439-L442 WeakPolarHBondContact OG-CB 3.45Å; S439-L442 PolarHBondContact OG-N 3.43Å; S439-L443 PolarHBondContact O-N 2.58Å; S439-N544 CarbonylContact C-O 3.48Å; S439-N544 VanDerWaalsContact CA-O 3.22Å; S439-N544 WeakPolarHBondContact CA-O 3.42Å
440	K	78.6	Confident	70.5	Confident	34 Å²	34	63.8 Å²	63.8	15%	0.148	33%	0.329	C	S	.	.	H	α-helix	trans	-56	-40.7	176.7	-67.8	-173.3	-175.8	-170.8	0	111.7	L443 K444 L473 L529 D531 E543 N544 V546	K440-L443 PolarHBondContact O-N 3.2Å; K440-K444 WeakPolarHBondContact O-CB 3.44Å; K440-K444 PolarHBondContact O-N 3.27Å; K440-L473 HydrophobicContact CB-CD2 3.85Å; K440-L473 HydrophobicContact CG-CD2 4.33Å; K440-L529 PolarHBondContact NZ-O 3.22Å; K440-D531 IonicContact NZ-OD1 2.85Å; K440-D531 PolarHBondContact NZ-OD1 3.29Å; K440-E543 WeakPolarHBondContact CE-O 3.41Å; K440-N544 PolarHBondContact N-O 3.19Å; K440-V546 HydrophobicContact CG-CG2 3.74Å
441	A	77	Confident	73	Confident	75 Å²	75	59.5 Å²	59.5	62%	0.62	31%	0.314	S	S	*	.	H	α-helix	trans	-63.9	-39.9	177.2	0	0	0	0	0	112.4	S439 R445	S439-A441 PolarHBondContact O-N 3.41Å; A441-R445 WeakPolarHBondContact O-CB 3.13Å; A441-R445 PolarHBondContact O-N 3.47Å
442	L	81.8	Confident	75.2	Confident	21 Å²	21	58.1 Å²	58.1	11%	0.11	30%	0.303	C	S	.	.	H	α-helix	trans	-64.4	-48.8	175.4	173.1	57.2	0	0	0	110.7	L401 I404 I410 I438 S439 K444 R445 T446	L401-L442 HydrophobicContact CD1-CD1 4.41Å; I404-L442 HydrophobicContact CD1-CD1 3.16Å; I404-L442 HydrophobicContact CG1-CD1 4Å; I410-L442 HydrophobicContact CD1-CD2 3.84Å; I438-L442 HydrophobicContact CG2-CB 4.19Å; I438-L442 HydrophobicContact CG2-CD2 3.82Å; I438-L442 HydrophobicContact CG2-CG 3.92Å; S439-L442 WeakPolarHBondContact O-CB 3.43Å; S439-L442 PolarHBondContact O-N 3.46Å; S439-L442 WeakPolarHBondContact OG-CB 3.45Å; S439-L442 PolarHBondContact OG-N 3.43Å; L442-K444 VanDerWaalsContact C-N 3.33Å; L442-K444 PolarHBondContact O-N 3.35Å; L442-R445 PolarHBondContact O-N 3.11Å; L442-R445 VanDerWaalsContact O-N 3.08Å; L442-T446 HydrophobicContact CD1-CG2 3.62Å; L442-T446 PolarHBondContact O-N 3.49Å; L442-T446 PolarHBondContact O-OG1 3.3Å
443	L	82.5	Confident	77.9	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-58.7	-42.3	179.3	-171.4	61.3	0	0	0	112.4	P395 I396 I438 S439 K440 G447 L473 L529 L551	P395-L443 HydrophobicContact CB-CD1 4.42Å; I396-L443 HydrophobicContact CD1-CD1 4.11Å; I396-L443 HydrophobicContact CG1-CD1 3.8Å; I438-L443 HydrophobicContact CG2-CB 4.36Å; S439-L443 PolarHBondContact O-N 2.58Å; K440-L443 PolarHBondContact O-N 3.2Å; L443-G447 PolarHBondContact O-N 3.44Å; L443-L473 HydrophobicContact CB-CD1 4.34Å; L443-L473 HydrophobicContact CD2-CD1 4.07Å; L443-L473 HydrophobicContact CG-CD1 4Å; L443-L529 HydrophobicContact CD2-CD1 4.39Å; L443-L551 HydrophobicContact CD1-CD1 4.13Å; L443-L551 HydrophobicContact CD2-CD1 4.07Å; L443-L551 HydrophobicContact CD2-CD2 4.19Å
444	K	82.8	Confident	80.1	Confident	128 Å²	128	47.5 Å²	47.5	56%	0.557	25%	0.246	S	C	*	.	H	α-helix	trans	-63.7	-41.1	174.2	-177.4	168.4	-174.6	177.6	0	112.3	K440 L442 L473	K440-K444 WeakPolarHBondContact O-CB 3.44Å; K440-K444 PolarHBondContact O-N 3.27Å; L442-K444 VanDerWaalsContact C-N 3.33Å; L442-K444 PolarHBondContact O-N 3.35Å; K444-L473 HydrophobicContact CB-CD1 4.22Å
445	R	82.2	Confident	82.2	Confident	144 Å²	144	42.1 Å²	42.1	54%	0.543	22%	0.216	S	C	.	.	H	α-helix	trans	-71.7	-34.9	-178.6	-177.4	175.7	175.1	161	-1.3	112.7	A441 L442	A441-R445 WeakPolarHBondContact O-CB 3.13Å; A441-R445 PolarHBondContact O-N 3.47Å; L442-R445 PolarHBondContact O-N 3.11Å; L442-R445 VanDerWaalsContact O-N 3.08Å
446	T	87.7	Confident	83.9	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-93.8	-6.4	-178.1	57.4	0	0	0	0	113.7	R397 A400 L401 I404 L442	R397-T446 VanDerWaalsContact CB-O 3.27Å; R397-T446 WeakPolarHBondContact CB-O 3.42Å; R397-T446 PolarHBondContact N-O 3.11Å; A400-T446 HydrophobicContact CB-CG2 4.1Å; L401-T446 HydrophobicContact CB-CG2 4.31Å; L401-T446 HydrophobicContact CD1-CG2 4.4Å; I404-T446 HydrophobicContact CD1-CG2 3.72Å; L442-T446 HydrophobicContact CD1-CG2 3.62Å; L442-T446 PolarHBondContact O-N 3.49Å; L442-T446 PolarHBondContact O-OG1 3.3Å
447	G	89	Confident	85.6	Confident	3 Å²	3	40.1 Å²	40.1	3%	0.031	20%	0.201	C	C	.	.	S	Bend	trans	-59.9	155.1	172.9	0	0	0	0	0	113.7	R397 L443	R397-G447 VanDerWaalsContact CZ-O 3.3Å; R397-G447 PolarHBondContact NE-O 2.94Å; R397-G447 PolarHBondContact NH2-O 3.23Å; R397-G447 VanDerWaalsContact NH2-O 3.13Å; L443-G447 PolarHBondContact O-N 3.44Å
448	H	91.9	Very high	86.8	Confident	3 Å²	3	40.6 Å²	40.6	1%	0.014	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-69.3	141.3	173.8	-69.9	-100.4	0	0	0	111.1	N392 N394 R397 M453 Y480 Q498	N392-H448 HydrophobicContact CB-CB 4.39Å; N394-H448 PolarHBondContact ND2-NE2 2.78Å; N394-H448 PolarHBondContact O-CD2 3.12Å; N394-H448 PolarHBondContact O-NE2 3.13Å; R397-H448 HydrophobicContact CG-CB 4.39Å; R397-H448 VanDerWaalsContact CG-CE1 3.41Å; R397-H448 WeakPolarHBondContact CG-CE1 3.44Å; R397-H448 WeakPolarHBondContact CG-ND1 3.35Å; R397-H448 WeakPolarHBondContact CG-NE2 3.29Å; H448-M453 HydrophobicContact CB-CE 3.68Å; H448-M453 HydrophobicContact CB-CG 4.39Å; H448-M453 HydrophobicContact CB-SD 3.47Å; H448-M453 WeakPolarHBondContact CB-SD 3.33Å; H448-Y480 WeakPolarHBondContact O-CE2 3.47Å; H448-Y480 PolarHBondContact O-OH 3.25Å; H448-Q498 PolarHBondContact ND1-OE1 3.3Å
449	K	91.8	Very high	87.7	Confident	94 Å²	94	41.7 Å²	41.7	41%	0.409	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-95.3	128.6	-179.4	-55.5	-170.9	-165.1	149.4	0	112.2	N451 E452 M453 Y480	K449-N451 VanDerWaalsContact C-N 3.31Å; K449-N451 WeakPolarHBondContact CB-OD1 3.08Å; K449-N451 PolarHBondContact O-N 3.06Å; K449-E452 HydrophobicContact CB-CG 4.24Å; K449-E452 WeakPolarHBondContact CD-OE1 3.3Å; K449-E452 IonicContact NZ-OE1 3.54Å; K449-E452 PolarHBondContact O-N 2.74Å; K449-E452 VanDerWaalsContact O-N 3.12Å; K449-M453 PolarHBondContact O-N 2.8Å; K449-M453 VanDerWaalsContact O-N 3.13Å; K449-Y480 VanDerWaalsContact CA-OH 3.27Å; K449-Y480 WeakPolarHBondContact CA-OH 3.34Å
450	L	93.7	Very high	88	Confident	3 Å²	3	40.4 Å²	40.4	2%	0.016	20%	0.2	C	C	.	.	H	α-helix	trans	-64.3	-33.2	-176.7	-175.4	66.7	0	0	0	113.4	L390 E452 M453 L454 H466 F469 Y480 L495	L390-L450 HydrophobicContact CD2-CD1 4.17Å; L450-E452 PolarHBondContact O-N 2.77Å; L450-M453 HydrophobicContact CD1-CE 4.47Å; L450-M453 PolarHBondContact O-N 2.93Å; L450-L454 HydrophobicContact CD1-CB 4.05Å; L450-L454 HydrophobicContact CG-CB 4.17Å; L450-L454 WeakPolarHBondContact O-CB 3.17Å; L450-L454 PolarHBondContact O-N 3.18Å; L450-H466 HydrophobicContact CD2-CB 4.19Å; L450-H466 HydrophobicContact CG-CB 4.2Å; L450-F469 HydrophobicContact CD2-CB 3.44Å; L450-F469 VanDerWaalsContact CD2-CB 3.44Å; L450-F469 HydrophobicContact CD2-CD1 3.74Å; L450-F469 HydrophobicContact CD2-CD2 3.54Å; L450-F469 HydrophobicContact CD2-CE1 4.36Å; L450-F469 HydrophobicContact CD2-CE2 4.19Å; L450-F469 HydrophobicContact CD2-CG 3.29Å; L450-Y480 HydrophobicContact CB-CD1 3.58Å; L450-Y480 HydrophobicContact CB-CD2 3.87Å; L450-Y480 HydrophobicContact CB-CE1 3.5Å; L450-Y480 VanDerWaalsContact CB-CE1 3.5Å; L450-Y480 HydrophobicContact CB-CE2 3.81Å; L450-Y480 HydrophobicContact CB-CG 3.76Å; L450-Y480 HydrophobicContact CD1-CD2 4.31Å; L450-Y480 HydrophobicContact CD1-CG 4.38Å; L450-Y480 HydrophobicContact CD2-CD1 3.87Å; L450-Y480 HydrophobicContact CD2-CG 3.83Å; L450-Y480 HydrophobicContact CG-CD1 4.3Å; L450-Y480 HydrophobicContact CG-CD2 4.46Å; L450-Y480 HydrophobicContact CG-CG 4.2Å; L450-Y480 PolarHBondContact N-OH 2.73Å; L450-L495 HydrophobicContact CD1-CD2 3.88Å
451	N	90.3	Very high	88.2	Confident	83 Å²	83	45.9 Å²	45.9	44%	0.444	23%	0.231	S	C	.	.	H	α-helix	trans	-63.2	-26.3	176.5	66	-37.8	0	0	0	112.9	K449 H466	K449-N451 VanDerWaalsContact C-N 3.31Å; K449-N451 WeakPolarHBondContact CB-OD1 3.08Å; K449-N451 PolarHBondContact O-N 3.06Å; N451-H466 HydrophobicContact CB-CB 4.17Å
452	E	89.2	Confident	88.8	Confident	40 Å²	40	49.5 Å²	49.5	19%	0.187	24%	0.235	C	C	.	.	H	α-helix	trans	-84.9	-39.2	175.2	-62.4	167.8	-164.4	0	0	111.2	R397 K449 L450 K455	R397-E452 IonicContact NH1-OE1 3.84Å; R397-E452 IonicContact NH1-OE2 2.63Å; R397-E452 PolarHBondContact NH1-OE2 2.87Å; K449-E452 HydrophobicContact CB-CG 4.24Å; K449-E452 WeakPolarHBondContact CD-OE1 3.3Å; K449-E452 IonicContact NZ-OE1 3.54Å; K449-E452 PolarHBondContact O-N 2.74Å; K449-E452 VanDerWaalsContact O-N 3.12Å; L450-E452 PolarHBondContact O-N 2.77Å; E452-K455 WeakPolarHBondContact O-CE 3.35Å; E452-K455 PolarHBondContact O-NZ 2.88Å
453	M	93.5	Very high	89.2	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-76.6	-40.4	-178.3	-65.5	-174.4	-67.2	0	0	113.6	N392 H448 K449 L450 K455 Y480 L495 D496 Q498 F512	N392-M453 HydrophobicContact CB-SD 4.35Å; N392-M453 PolarHBondContact ND2-SD 3.31Å; N392-M453 VanDerWaalsContact ND2-SD 3.37Å; H448-M453 HydrophobicContact CB-CE 3.68Å; H448-M453 HydrophobicContact CB-CG 4.39Å; H448-M453 HydrophobicContact CB-SD 3.47Å; H448-M453 WeakPolarHBondContact CB-SD 3.33Å; K449-M453 PolarHBondContact O-N 2.8Å; K449-M453 VanDerWaalsContact O-N 3.13Å; L450-M453 HydrophobicContact CD1-CE 4.47Å; L450-M453 PolarHBondContact O-N 2.93Å; M453-K455 WeakPolarHBondContact O-CG 3.38Å; M453-K455 PolarHBondContact O-N 2.89Å; M453-Y480 HydrophobicContact CE-CD2 4.37Å; M453-Y480 HydrophobicContact CE-CE2 3.82Å; M453-L495 HydrophobicContact CB-CD2 4.3Å; M453-L495 CarbonylContact O-C 3.52Å; M453-L495 WeakPolarHBondContact O-CA 3.39Å; M453-D496 PolarHBondContact O-N 2.8Å; M453-Q498 HydrophobicContact CG-CG 4.2Å; M453-F512 HydrophobicContact CE-CE1 4.22Å; M453-F512 HydrophobicContact SD-CE1 3.64Å; M453-F512 HydrophobicContact SD-CZ 3.83Å
454	L	94	Very high	89.7	Confident	20 Å²	20	55.6 Å²	55.6	11%	0.105	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	112	-171.8	-171.1	67.8	0	0	0	112	L450 C457 H466 F469 I493 L495	L450-L454 HydrophobicContact CD1-CB 4.05Å; L450-L454 HydrophobicContact CG-CB 4.17Å; L450-L454 WeakPolarHBondContact O-CB 3.17Å; L450-L454 PolarHBondContact O-N 3.18Å; L454-C457 HydrophobicContact CD1-CB 4.01Å; L454-C457 HydrophobicContact CD2-CB 3.98Å; L454-C457 HydrophobicContact CG-CB 4.23Å; L454-H466 HydrophobicContact CD2-CB 4.46Å; L454-F469 HydrophobicContact CD2-CE2 4.28Å; L454-I493 HydrophobicContact CD1-CG2 4.03Å; L454-L495 HydrophobicContact CB-CD2 4.23Å; L454-L495 HydrophobicContact CD1-CD2 3.69Å
455	K	91.7	Very high	90.1	Very high	20 Å²	20	51.6 Å²	51.6	9%	0.087	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-35.8	-178.9	-54.9	-45.4	-170.3	-178.7	0	112.2	E452 M453 V494 D496 L656 F657 L1030	E452-K455 WeakPolarHBondContact O-CE 3.35Å; E452-K455 PolarHBondContact O-NZ 2.88Å; M453-K455 WeakPolarHBondContact O-CG 3.38Å; M453-K455 PolarHBondContact O-N 2.89Å; K455-V494 PolarHBondContact N-O 3.49Å; K455-D496 HydrophobicContact CD-CB 4.46Å; K455-D496 HydrophobicContact CG-CB 4.28Å; K455-L656 WeakPolarHBondContact CD-O 3.05Å; K455-L656 WeakPolarHBondContact CE-O 3.46Å; K455-L656 PolarHBondContact NZ-O 3.31Å; K455-F657 HydrophobicContact CB-CE1 4.03Å; K455-F657 HydrophobicContact CB-CZ 4.14Å; K455-F657 HydrophobicContact CG-CD1 4.45Å; K455-F657 HydrophobicContact CG-CE1 4.34Å; K455-L1030 HydrophobicContact CG-CD2 4.03Å
456	F	89.7	Confident	90.5	Very high	58 Å²	58	48.7 Å²	48.7	25%	0.254	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	139.3	-178.8	-172.4	-93.5	0	0	0	110.5	Y458 I493 V494 L649	F456-Y458 HydrophobicContact CD1-CD2 4.06Å; F456-Y458 HydrophobicContact CD2-CD2 4.43Å; F456-Y458 HydrophobicContact CD2-CE2 4.12Å; F456-Y458 AromaticContact CE1-CD2 3.36Å; F456-Y458 HydrophobicContact CE1-CD2 3.36Å; F456-Y458 AromaticContact CE1-CE2 3.85Å; F456-Y458 HydrophobicContact CE1-CE2 3.85Å; F456-Y458 HydrophobicContact CE1-CG 4.38Å; F456-Y458 AromaticContact CE2-CD2 3.8Å; F456-Y458 HydrophobicContact CE2-CD2 3.8Å; F456-Y458 AromaticContact CE2-CE2 3.35Å; F456-Y458 HydrophobicContact CE2-CE2 3.35Å; F456-Y458 AromaticContact CZ-CD2 3.21Å; F456-Y458 HydrophobicContact CZ-CD2 3.21Å; F456-Y458 AromaticContact CZ-CE2 3.19Å; F456-Y458 HydrophobicContact CZ-CE2 3.19Å; F456-Y458 HydrophobicContact CZ-CG 4.35Å; F456-I493 WeakPolarHBondContact O-CA 3.46Å; F456-V494 HydrophobicContact CB-CB 3.76Å; F456-V494 HydrophobicContact CB-CG2 3.86Å; F456-V494 HydrophobicContact CD1-CG2 4.12Å; F456-V494 HydrophobicContact CG-CG2 4.34Å; F456-V494 PolarHBondContact N-O 3.29Å; F456-V494 VanDerWaalsContact N-O 3.11Å; F456-V494 PolarHBondContact O-N 2.91Å; F456-L649 HydrophobicContact CD2-CD2 4.29Å; F456-L649 HydrophobicContact CE2-CD2 4.12Å
457	C	93.8	Very high	90.8	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.007	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	125.5	-177.4	-170.2	0	0	0	0	109.9	L454 C464 R492	L454-C457 HydrophobicContact CD1-CB 4.01Å; L454-C457 HydrophobicContact CD2-CB 3.98Å; L454-C457 HydrophobicContact CG-CB 4.23Å; C457-C464 VanDerWaalsContact CA-SG 3.59Å; C457-C464 HydrophobicContact CB-CB 4.05Å; C457-C464 WeakPolarHBondContact CB-O 3.2Å; C457-C464 WeakPolarHBondContact CB-SG 3.44Å; C457-C464 PolarHBondContact O-N 2.77Å; C457-C464 PolarHBondContact O-SG 3.2Å; C457-C464 WeakPolarHBondContact SG-CB 2.93Å; C457-C464 CovalentContact SG-SG 2.03Å; C457-C464 PolarHBondContact SG-SG 3.25Å; C457-R492 CarbonylContact C-O 3.59Å; C457-R492 VanDerWaalsContact CA-O 3.29Å; C457-R492 WeakPolarHBondContact CA-O 3.41Å
458	Y	92.7	Very high	90.9	Very high	61 Å²	61	62.5 Å²	62.5	24%	0.239	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	141.7	170.5	-82.9	-99.6	0	0	0	111.6	F456 E462 K463 C464 V491 R492	F456-Y458 HydrophobicContact CD1-CD2 4.06Å; F456-Y458 HydrophobicContact CD2-CD2 4.43Å; F456-Y458 HydrophobicContact CD2-CE2 4.12Å; F456-Y458 AromaticContact CE1-CD2 3.36Å; F456-Y458 HydrophobicContact CE1-CD2 3.36Å; F456-Y458 AromaticContact CE1-CE2 3.85Å; F456-Y458 HydrophobicContact CE1-CE2 3.85Å; F456-Y458 HydrophobicContact CE1-CG 4.38Å; F456-Y458 AromaticContact CE2-CD2 3.8Å; F456-Y458 HydrophobicContact CE2-CD2 3.8Å; F456-Y458 AromaticContact CE2-CE2 3.35Å; F456-Y458 HydrophobicContact CE2-CE2 3.35Å; F456-Y458 AromaticContact CZ-CD2 3.21Å; F456-Y458 HydrophobicContact CZ-CD2 3.21Å; F456-Y458 AromaticContact CZ-CE2 3.19Å; F456-Y458 HydrophobicContact CZ-CE2 3.19Å; F456-Y458 HydrophobicContact CZ-CG 4.35Å; Y458-E462 CarbonylContact C-O 3.53Å; Y458-E462 VanDerWaalsContact CA-O 3.27Å; Y458-E462 WeakPolarHBondContact CA-O 3.41Å; Y458-E462 WeakPolarHBondContact CD1-O 3.39Å; Y458-K463 HydrophobicContact CD1-CB 4.31Å; Y458-K463 HydrophobicContact CE1-CB 3.81Å; Y458-K463 HydrophobicContact CE1-CG 4.47Å; Y458-K463 HydrophobicContact CE2-CB 4.33Å; Y458-K463 HydrophobicContact CE2-CG 4.1Å; Y458-C464 PolarHBondContact N-SG 2.86Å; Y458-V491 CarbonylContact O-C 3.5Å; Y458-V491 VanDerWaalsContact O-CA 3.3Å; Y458-V491 WeakPolarHBondContact O-CA 3.3Å; Y458-R492 PolarHBondContact N-O 2.78Å; Y458-R492 PolarHBondContact O-N 2.81Å
459	I	90.8	Very high	91.1	Very high	34 Å²	34	63.2 Å²	63.2	17%	0.174	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	102.3	170	-59.6	169.9	0	0	0	105.9	N461 E462 C464 M482 L484 V488 E490 V491	I459-N461 PolarHBondContact O-N 3.44Å; I459-N461 VanDerWaalsContact O-N 3.09Å; I459-E462 PolarHBondContact N-O 3.49Å; I459-E462 PolarHBondContact O-N 2.86Å; I459-C464 HydrophobicContact CD1-CB 3.94Å; I459-C464 HydrophobicContact CG1-CB 4.09Å; I459-M482 HydrophobicContact CD1-SD 3.82Å; I459-M482 HydrophobicContact CG1-SD 4.32Å; I459-L484 HydrophobicContact CD1-CD2 3.83Å; I459-L484 HydrophobicContact CG1-CD2 4.17Å; I459-L484 HydrophobicContact CG2-CD2 4.08Å; I459-V488 HydrophobicContact CG2-CB 4.19Å; I459-V488 HydrophobicContact CG2-CG1 3.52Å; I459-V488 HydrophobicContact CG2-CG2 3.54Å; I459-E490 CarbonylContact C-O 3.5Å; I459-V491 HydrophobicContact CG1-CG2 4.23Å; I459-V491 HydrophobicContact CG2-CG2 4.38Å
460	G	84.5	Confident	91.2	Very high	24 Å²	24	61.7 Å²	61.7	25%	0.247	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	-113.6	-164.3	0	0	0	0	0	110.2	E490	G460-E490 PolarHBondContact N-O 3.36Å
461	N	82.4	Confident	91.1	Very high	150 Å²	150	64.8 Å²	64.8	80%	0.802	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-5.1	179.1	-63.3	-15.9	0	0	0	113.3	I459	I459-N461 PolarHBondContact O-N 3.44Å; I459-N461 VanDerWaalsContact O-N 3.09Å
462	E	89.3	Confident	91.1	Very high	150 Å²	150	61.9 Å²	61.9	70%	0.701	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	129.5	-178.6	-65.2	-177.1	177.2	0	0	110.7	Y458 I459 C464	Y458-E462 CarbonylContact C-O 3.53Å; Y458-E462 VanDerWaalsContact CA-O 3.27Å; Y458-E462 WeakPolarHBondContact CA-O 3.41Å; Y458-E462 WeakPolarHBondContact CD1-O 3.39Å; I459-E462 PolarHBondContact N-O 3.49Å; I459-E462 PolarHBondContact O-N 2.86Å; E462-C464 PolarHBondContact O-N 3.34Å
463	K	89.9	Confident	91	Very high	141 Å²	141	61.7 Å²	61.7	61%	0.613	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.5	126.8	176	-171.5	179.3	179.6	-177.4	0	109.8	Y458	Y458-K463 HydrophobicContact CD1-CB 4.31Å; Y458-K463 HydrophobicContact CE1-CB 3.81Å; Y458-K463 HydrophobicContact CE1-CG 4.47Å; Y458-K463 HydrophobicContact CE2-CB 4.33Å; Y458-K463 HydrophobicContact CE2-CG 4.1Å
464	C	92.1	Very high	90.7	Very high	9 Å²	9	61.7 Å²	61.7	6%	0.061	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-101.7	165.2	172.4	45	0	0	0	0	112.3	C457 Y458 I459 E462 N468	C457-C464 VanDerWaalsContact CA-SG 3.59Å; C457-C464 HydrophobicContact CB-CB 4.05Å; C457-C464 WeakPolarHBondContact CB-O 3.2Å; C457-C464 WeakPolarHBondContact CB-SG 3.44Å; C457-C464 PolarHBondContact O-N 2.77Å; C457-C464 PolarHBondContact O-SG 3.2Å; C457-C464 WeakPolarHBondContact SG-CB 2.93Å; C457-C464 CovalentContact SG-SG 2.03Å; C457-C464 PolarHBondContact SG-SG 3.25Å; Y458-C464 PolarHBondContact N-SG 2.86Å; I459-C464 HydrophobicContact CD1-CB 3.94Å; I459-C464 HydrophobicContact CG1-CB 4.09Å; E462-C464 PolarHBondContact O-N 3.34Å; C464-N468 HydrophobicContact CB-CB 4.46Å
465	S	92.1	Very high	89.8	Confident	45 Å²	45	61.5 Å²	61.5	32%	0.315	31%	0.307	S	S	.	.			trans	-137.4	174.9	177.8	74	0	0	0	0	110.8	R467 N468 F469	S465-R467 PolarHBondContact O-N 3.15Å; S465-R467 PolarHBondContact OG-N 2.91Å; S465-N468 PolarHBondContact N-OD1 3.07Å; S465-N468 WeakPolarHBondContact O-CB 3.29Å; S465-N468 PolarHBondContact O-N 3.17Å; S465-N468 PolarHBondContact O-OD1 3.36Å; S465-N468 PolarHBondContact OG-OD1 3Å; S465-F469 WeakPolarHBondContact O-CD2 3.43Å
466	H	91.6	Very high	89.2	Confident	82 Å²	82	61.5 Å²	61.5	38%	0.38	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-57	-22.9	175.5	65.7	-91.1	0	0	0	113.2	L450 N451 L454 N468 F469	L450-H466 HydrophobicContact CD2-CB 4.19Å; L450-H466 HydrophobicContact CG-CB 4.2Å; N451-H466 HydrophobicContact CB-CB 4.17Å; L454-H466 HydrophobicContact CD2-CB 4.46Å; H466-N468 PolarHBondContact O-N 2.63Å; H466-F469 PolarHBondContact O-N 3.02Å; H466-F469 VanDerWaalsContact O-N 3.12Å
467	R	92.1	Very high	89.1	Confident	212 Å²	212	58.8 Å²	58.8	80%	0.8	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-68	-20.2	177.1	-61.2	-176.7	178.7	178.6	-1.2	113.4	S465 F469	S465-R467 PolarHBondContact O-N 3.15Å; S465-R467 PolarHBondContact OG-N 2.91Å; R467-F469 PolarHBondContact O-N 3.36Å
468	N	92.6	Very high	88.9	Confident	81 Å²	81	59.3 Å²	59.3	43%	0.433	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-79	-3.7	174.9	-59.5	94.6	0	0	0	112.5	C464 S465 H466	C464-N468 HydrophobicContact CB-CB 4.46Å; S465-N468 PolarHBondContact N-OD1 3.07Å; S465-N468 WeakPolarHBondContact O-CB 3.29Å; S465-N468 PolarHBondContact O-N 3.17Å; S465-N468 PolarHBondContact O-OD1 3.36Å; S465-N468 PolarHBondContact OG-OD1 3Å; H466-N468 PolarHBondContact O-N 2.63Å
469	F	95.5	Very high	89	Confident	19 Å²	19	56.4 Å²	56.4	8%	0.083	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	143.2	179.8	-64.8	-106.4	0	0	0	110.7	L450 L454 S465 H466 R467 R481 M482 I493	L450-F469 HydrophobicContact CD2-CB 3.44Å; L450-F469 VanDerWaalsContact CD2-CB 3.44Å; L450-F469 HydrophobicContact CD2-CD1 3.74Å; L450-F469 HydrophobicContact CD2-CD2 3.54Å; L450-F469 HydrophobicContact CD2-CE1 4.36Å; L450-F469 HydrophobicContact CD2-CE2 4.19Å; L450-F469 HydrophobicContact CD2-CG 3.29Å; L454-F469 HydrophobicContact CD2-CE2 4.28Å; S465-F469 WeakPolarHBondContact O-CD2 3.43Å; H466-F469 PolarHBondContact O-N 3.02Å; H466-F469 VanDerWaalsContact O-N 3.12Å; R467-F469 PolarHBondContact O-N 3.36Å; F469-R481 CarbonylContact C-O 3.58Å; F469-R481 WeakPolarHBondContact CA-O 2.86Å; F469-M482 HydrophobicContact CD1-CB 3.77Å; F469-M482 HydrophobicContact CE1-CB 3.68Å; F469-M482 HydrophobicContact CE1-CE 4.33Å; F469-M482 HydrophobicContact CE1-CG 4.47Å; F469-M482 HydrophobicContact CE1-SD 4.19Å; F469-M482 HydrophobicContact CE2-SD 3.91Å; F469-M482 HydrophobicContact CG-CB 4.32Å; F469-M482 HydrophobicContact CZ-CB 4.15Å; F469-M482 HydrophobicContact CZ-CE 4Å; F469-M482 HydrophobicContact CZ-CG 4.48Å; F469-M482 HydrophobicContact CZ-SD 3.67Å; F469-I493 HydrophobicContact CZ-CD1 4.23Å
470	T	93.2	Very high	89.3	Confident	61 Å²	61	55.8 Å²	55.8	37%	0.374	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	135.2	170.7	53.7	0	0	0	0	109.6	Y480 R481	T470-Y480 CarbonylContact O-C 3.54Å; T470-Y480 VanDerWaalsContact O-CA 3.31Å; T470-Y480 WeakPolarHBondContact O-CA 3.17Å; T470-R481 PolarHBondContact N-O 3.45Å; T470-R481 PolarHBondContact O-N 3.22Å; T470-R481 WeakPolarHBondContact OG1-CB 3.48Å; T470-R481 PolarHBondContact OG1-O 3.46Å
471	S	92.6	Very high	89.7	Confident	68 Å²	68	54.8 Å²	54.8	48%	0.476	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	121.8	179.1	168.6	0	0	0	0	109.2	Q478	S471-Q478 PolarHBondContact OG-NE2 3.17Å
472	V	90.5	Very high	90.3	Very high	22 Å²	22	47.7 Å²	47.7	13%	0.133	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	146.3	-177.7	-64.6	0	0	0	0	111.1	T474 Q478 C479 R481	V472-T474 HydrophobicContact CG2-CG2 4.04Å; V472-Q478 PolarHBondContact O-NE2 3.46Å; V472-C479 HydrophobicContact CG2-CB 4.16Å; V472-C479 PolarHBondContact N-O 2.55Å; V472-C479 PolarHBondContact O-N 3.11Å; V472-R481 HydrophobicContact CG2-CG 3.89Å
473	L	87.4	Confident	90.4	Very high	37 Å²	37	44.8 Å²	44.8	19%	0.194	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	116.9	178.9	-170	70.3	0	0	0	109.3	K440 L443 K444 L529	K440-L473 HydrophobicContact CB-CD2 3.85Å; K440-L473 HydrophobicContact CG-CD2 4.33Å; L443-L473 HydrophobicContact CB-CD1 4.34Å; L443-L473 HydrophobicContact CD2-CD1 4.07Å; L443-L473 HydrophobicContact CG-CD1 4Å; K444-L473 HydrophobicContact CB-CD1 4.22Å; L473-L529 HydrophobicContact CD2-CD1 4.28Å; L473-L529 HydrophobicContact CG-CD1 4.06Å; L473-L529 PolarHBondContact O-N 2.84Å
474	T	85.3	Confident	90.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	174.9	-173.1	72.2	0	0	0	0	111.3	V472 Y476 G477 C479 L527 L529	V472-T474 HydrophobicContact CG2-CG2 4.04Å; T474-Y476 PolarHBondContact O-N 3.4Å; T474-Y476 VanDerWaalsContact O-N 3.09Å; T474-Y476 PolarHBondContact OG1-N 2.69Å; T474-G477 PolarHBondContact N-O 3.16Å; T474-G477 PolarHBondContact O-N 3.06Å; T474-G477 PolarHBondContact OG1-O 3.15Å; T474-G477 VanDerWaalsContact OG1-O 3.09Å; T474-C479 HydrophobicContact CG2-CB 3.9Å; T474-C479 PolarHBondContact OG1-SG 3.19Å; T474-L527 CarbonylContact C-O 3.58Å; T474-L527 WeakPolarHBondContact CA-O 3.26Å; T474-L527 WeakPolarHBondContact CB-O 3.39Å; T474-L527 HydrophobicContact CG2-CB 4.07Å; T474-L529 WeakPolarHBondContact O-CD1 3.49Å
475	I	75.4	Confident	90	Very high	16 Å²	16	42.9 Å²	42.9	8%	0.082	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-8.8	168.1	65.4	172	0	0	0	113.6	L527 L529 W537 L551	I475-L527 PolarHBondContact N-O 2.66Å; I475-L529 HydrophobicContact CG2-CD2 3.86Å; I475-L529 HydrophobicContact CG2-CG 4.21Å; I475-W537 HydrophobicContact CD1-CH2 4.48Å; I475-W537 HydrophobicContact CD1-CZ2 4.2Å; I475-L551 WeakPolarHBondContact O-CA 3.32Å; I475-L551 WeakPolarHBondContact O-CB 3.27Å; I475-L551 WeakPolarHBondContact O-CD2 3.32Å
476	Y	80.6	Confident	89.2	Confident	21 Å²	21	41.7 Å²	41.7	8%	0.082	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	12.7	173	-59.1	-78.4	0	0	0	112.2	T474 W515 L527 S554	T474-Y476 PolarHBondContact O-N 3.4Å; T474-Y476 VanDerWaalsContact O-N 3.09Å; T474-Y476 PolarHBondContact OG1-N 2.69Å; Y476-W515 HydrophobicContact CD1-CH2 4.2Å; Y476-W515 HydrophobicContact CD1-CZ2 4.49Å; Y476-W515 AromaticContact CD2-CH2 3.37Å; Y476-W515 HydrophobicContact CD2-CH2 3.37Å; Y476-W515 AromaticContact CD2-CZ2 3.61Å; Y476-W515 HydrophobicContact CD2-CZ2 3.61Å; Y476-W515 HydrophobicContact CD2-CZ3 4.28Å; Y476-W515 HydrophobicContact CE1-CH2 4.35Å; Y476-W515 HydrophobicContact CE1-CZ2 4.18Å; Y476-W515 AromaticContact CE2-CH2 3.56Å; Y476-W515 HydrophobicContact CE2-CH2 3.56Å; Y476-W515 AromaticContact CE2-CZ2 3.24Å; Y476-W515 HydrophobicContact CE2-CZ2 3.24Å; Y476-W515 AromaticContact CG-CH2 3.72Å; Y476-W515 HydrophobicContact CG-CH2 3.72Å; Y476-W515 HydrophobicContact CG-CZ2 4.23Å; Y476-W515 AromaticContact CZ-CZ2 3.56Å; Y476-L527 HydrophobicContact CD2-CD2 4.12Å; Y476-L527 HydrophobicContact CE2-CD2 3.69Å; Y476-S554 WeakPolarHBondContact OH-CB 3.33Å; Y476-S554 PolarHBondContact OH-OG 2.97Å
477	G	86.2	Confident	88.4	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	89.9	-151.2	-175.7	0	0	0	0	0	113.4	T474 C479	T474-G477 PolarHBondContact N-O 3.16Å; T474-G477 PolarHBondContact O-N 3.06Å; T474-G477 PolarHBondContact OG1-O 3.15Å; T474-G477 VanDerWaalsContact OG1-O 3.09Å; G477-C479 PolarHBondContact O-N 3.2Å; G477-C479 PolarHBondContact O-SG 2.94Å
478	Q	90.3	Very high	88	Confident	12 Å²	12	32.5 Å²	32.5	6%	0.056	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	115.9	-177.8	-176.7	55.7	62.8	0	0	110.9	S471 V472 Y480	S471-Q478 PolarHBondContact OG-NE2 3.17Å; V472-Q478 PolarHBondContact O-NE2 3.46Å; Q478-Y480 HydrophobicContact CG-CE2 4.5Å
479	C	94	Very high	87.5	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	173.1	-177.3	-56.9	0	0	0	0	112.2	T389 L390 C391 V472 T474 G477	T389-C479 HydrophobicContact CG2-CB 4.15Å; L390-C479 CarbonylContact O-C 3.48Å; L390-C479 WeakPolarHBondContact O-CA 3.43Å; L390-C479 WeakPolarHBondContact O-CB 3.21Å; C391-C479 HydrophobicContact CB-CB 4.06Å; C391-C479 WeakPolarHBondContact CB-SG 2.97Å; C391-C479 WeakPolarHBondContact SG-CB 3.44Å; C391-C479 CovalentContact SG-SG 2.01Å; C391-C479 PolarHBondContact SG-SG 3.07Å; V472-C479 HydrophobicContact CG2-CB 4.16Å; V472-C479 PolarHBondContact N-O 2.55Å; V472-C479 PolarHBondContact O-N 3.11Å; T474-C479 HydrophobicContact CG2-CB 3.9Å; T474-C479 PolarHBondContact OG1-SG 3.19Å; G477-C479 PolarHBondContact O-N 3.2Å; G477-C479 PolarHBondContact O-SG 2.94Å
480	Y	96.7	Very high	87.2	Confident	22 Å²	22	35.8 Å²	35.8	9%	0.086	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	126.8	-172.9	-61.1	-78.7	0	0	0	111.2	L390 H448 K449 L450 M453 T470 Q478	L390-Y480 PolarHBondContact N-O 3.14Å; L390-Y480 PolarHBondContact O-N 3.31Å; H448-Y480 WeakPolarHBondContact O-CE2 3.47Å; H448-Y480 PolarHBondContact O-OH 3.25Å; K449-Y480 VanDerWaalsContact CA-OH 3.27Å; K449-Y480 WeakPolarHBondContact CA-OH 3.34Å; L450-Y480 HydrophobicContact CB-CD1 3.58Å; L450-Y480 HydrophobicContact CB-CD2 3.87Å; L450-Y480 HydrophobicContact CB-CE1 3.5Å; L450-Y480 VanDerWaalsContact CB-CE1 3.5Å; L450-Y480 HydrophobicContact CB-CE2 3.81Å; L450-Y480 HydrophobicContact CB-CG 3.76Å; L450-Y480 HydrophobicContact CD1-CD2 4.31Å; L450-Y480 HydrophobicContact CD1-CG 4.38Å; L450-Y480 HydrophobicContact CD2-CD1 3.87Å; L450-Y480 HydrophobicContact CD2-CG 3.83Å; L450-Y480 HydrophobicContact CG-CD1 4.3Å; L450-Y480 HydrophobicContact CG-CD2 4.46Å; L450-Y480 HydrophobicContact CG-CG 4.2Å; L450-Y480 PolarHBondContact N-OH 2.73Å; M453-Y480 HydrophobicContact CE-CD2 4.37Å; M453-Y480 HydrophobicContact CE-CE2 3.82Å; T470-Y480 CarbonylContact O-C 3.54Å; T470-Y480 VanDerWaalsContact O-CA 3.31Å; T470-Y480 WeakPolarHBondContact O-CA 3.17Å; Q478-Y480 HydrophobicContact CG-CE2 4.5Å
481	R	94.6	Very high	87.2	Confident	3 Å²	3	32.9 Å²	32.9	1%	0.011	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	133.1	-178.8	-77.8	178.7	179.5	148.5	9.8	112	T387 I388 T389 F469 T470 V472 A523 S524 D528	T387-R481 HydrophobicContact CG2-CB 4.01Å; T387-R481 HydrophobicContact CG2-CG 4.01Å; I388-R481 CarbonylContact O-C 3.53Å; I388-R481 VanDerWaalsContact O-CA 3.25Å; I388-R481 WeakPolarHBondContact O-CA 3.47Å; T389-R481 HydrophobicContact CG2-CG 4.05Å; F469-R481 CarbonylContact C-O 3.58Å; F469-R481 WeakPolarHBondContact CA-O 2.86Å; T470-R481 PolarHBondContact N-O 3.45Å; T470-R481 PolarHBondContact O-N 3.22Å; T470-R481 WeakPolarHBondContact OG1-CB 3.48Å; T470-R481 PolarHBondContact OG1-O 3.46Å; V472-R481 HydrophobicContact CG2-CG 3.89Å; R481-A523 VanDerWaalsContact NH2-C 3.31Å; R481-A523 PolarHBondContact NH2-O 2.76Å; R481-A523 VanDerWaalsContact NH2-O 3.16Å; R481-S524 PolarHBondContact NH1-OG 3.03Å; R481-D528 IonicContact CZ-OD1 3.26Å; R481-D528 VanDerWaalsContact CZ-OD1 3.26Å; R481-D528 IonicContact CZ-OD2 2.94Å; R481-D528 IonicContact NH1-OD1 3.19Å; R481-D528 PolarHBondContact NH1-OD1 3.35Å; R481-D528 IonicContact NH1-OD2 3.54Å; R481-D528 PolarHBondContact NH1-OD2 3.43Å; R481-D528 VanDerWaalsContact NH2-CG 3.27Å; R481-D528 IonicContact NH2-OD1 2.76Å; R481-D528 PolarHBondContact NH2-OD1 2.85Å; R481-D528 IonicContact NH2-OD2 3.32Å; R481-D528 PolarHBondContact NH2-OD2 3.31Å
482	M	94	Very high	87.2	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	125.5	172.4	-176.5	169.7	58.9	0	0	109.8	T387 I388 I459 F469 L484 V491 I493	T387-M482 WeakPolarHBondContact CA-O 3.27Å; I388-M482 HydrophobicContact CD1-CE 4.27Å; I388-M482 PolarHBondContact N-O 3.43Å; I388-M482 PolarHBondContact O-N 3.34Å; I459-M482 HydrophobicContact CD1-SD 3.82Å; I459-M482 HydrophobicContact CG1-SD 4.32Å; F469-M482 HydrophobicContact CD1-CB 3.77Å; F469-M482 HydrophobicContact CE1-CB 3.68Å; F469-M482 HydrophobicContact CE1-CE 4.33Å; F469-M482 HydrophobicContact CE1-CG 4.47Å; F469-M482 HydrophobicContact CE1-SD 4.19Å; F469-M482 HydrophobicContact CE2-SD 3.91Å; F469-M482 HydrophobicContact CG-CB 4.32Å; F469-M482 HydrophobicContact CZ-CB 4.15Å; F469-M482 HydrophobicContact CZ-CE 4Å; F469-M482 HydrophobicContact CZ-CG 4.48Å; F469-M482 HydrophobicContact CZ-SD 3.67Å; M482-L484 HydrophobicContact CE-CD1 4.07Å; M482-L484 HydrophobicContact CE-CD2 3.96Å; M482-L484 HydrophobicContact CE-CG 4.22Å; M482-L484 HydrophobicContact CG-CD2 4.06Å; M482-L484 HydrophobicContact CG-CG 4.27Å; M482-L484 HydrophobicContact SD-CD2 4.07Å; M482-V491 HydrophobicContact CE-CG1 3.73Å; M482-V491 HydrophobicContact CE-CG2 4.21Å; M482-I493 HydrophobicContact CE-CD1 4.45Å
483	K	91.1	Very high	87.4	Confident	89 Å²	89	32.4 Å²	32.4	39%	0.387	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	133	172.9	-60	179	178.7	-178.8	0	108.7	W385 E520	W385-K483 HydrophobicContact CD2-CB 4.43Å; W385-K483 HydrophobicContact CE3-CB 3.54Å; W385-K483 HydrophobicContact CZ3-CB 4.07Å; K483-E520 WeakPolarHBondContact CE-OE1 3.41Å; K483-E520 WeakPolarHBondContact CE-OE2 3.46Å; K483-E520 IonicContact NZ-OE1 2.61Å; K483-E520 IonicContact NZ-OE2 2.85Å; K483-E520 PolarHBondContact NZ-OE2 3.01Å
484	L	89.4	Confident	87.6	Confident	3 Å²	3	31.2 Å²	31.2	2%	0.016	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	142.6	179.9	-66.8	174.2	0	0	0	111.8	W385 F386 I388 I459 M482 V488 V491 F1037	W385-L484 CarbonylContact C-O 3.48Å; W385-L484 WeakPolarHBondContact CA-O 2.98Å; W385-L484 WeakPolarHBondContact CB-O 2.92Å; F386-L484 HydrophobicContact CD1-CB 4.32Å; F386-L484 WeakPolarHBondContact CD1-O 3.29Å; F386-L484 HydrophobicContact CD2-CB 4.15Å; F386-L484 HydrophobicContact CD2-CD1 4.45Å; F386-L484 HydrophobicContact CE1-CB 3.8Å; F386-L484 HydrophobicContact CE2-CB 3.62Å; F386-L484 HydrophobicContact CE2-CD1 3.5Å; F386-L484 VanDerWaalsContact CE2-CD1 3.5Å; F386-L484 HydrophobicContact CE2-CG 4.18Å; F386-L484 HydrophobicContact CG-CB 4.48Å; F386-L484 HydrophobicContact CZ-CB 3.43Å; F386-L484 VanDerWaalsContact CZ-CB 3.43Å; F386-L484 HydrophobicContact CZ-CD1 3.74Å; F386-L484 HydrophobicContact CZ-CG 4.26Å; F386-L484 PolarHBondContact N-O 3.33Å; F386-L484 PolarHBondContact O-N 3.43Å; I388-L484 HydrophobicContact CD1-CD1 3.4Å; I388-L484 HydrophobicContact CG1-CD1 3.94Å; I459-L484 HydrophobicContact CD1-CD2 3.83Å; I459-L484 HydrophobicContact CG1-CD2 4.17Å; I459-L484 HydrophobicContact CG2-CD2 4.08Å; M482-L484 HydrophobicContact CE-CD1 4.07Å; M482-L484 HydrophobicContact CE-CD2 3.96Å; M482-L484 HydrophobicContact CE-CG 4.22Å; M482-L484 HydrophobicContact CG-CD2 4.06Å; M482-L484 HydrophobicContact CG-CG 4.27Å; M482-L484 HydrophobicContact SD-CD2 4.07Å; L484-V488 HydrophobicContact CD2-CG1 4.5Å; L484-V488 HydrophobicContact CD2-CG2 4.38Å; L484-V491 HydrophobicContact CD1-CG2 3.58Å; L484-V491 HydrophobicContact CD2-CG2 4.08Å; L484-F1037 HydrophobicContact CD1-CE2 4.24Å; L484-F1037 HydrophobicContact CD1-CZ 4.09Å
485	K	83.8	Confident	88.1	Confident	106 Å²	106	31.2 Å²	31.2	46%	0.461	15%	0.151	S	C	.	.			trans	-77.4	150	172.4	-66.9	-179.9	-178.5	176.4	0	110.1	W385 F386 S487 V488	W385-K485 HydrophobicContact CD2-CG 3.83Å; W385-K485 HydrophobicContact CE3-CG 4.07Å; W385-K485 HydrophobicContact CH2-CD 4.39Å; W385-K485 HydrophobicContact CH2-CG 3.97Å; W385-K485 HydrophobicContact CZ2-CD 4.05Å; W385-K485 HydrophobicContact CZ2-CG 3.67Å; W385-K485 HydrophobicContact CZ3-CG 4.14Å; F386-K485 WeakPolarHBondContact CE1-O 3.08Å; K485-S487 PolarHBondContact O-N 3Å; K485-S487 VanDerWaalsContact O-N 3.14Å; K485-V488 HydrophobicContact CB-CG2 4.47Å; K485-V488 VanDerWaalsContact O-CB 3.29Å; K485-V488 WeakPolarHBondContact O-CB 3.23Å; K485-V488 WeakPolarHBondContact O-CG2 3.27Å; K485-V488 PolarHBondContact O-N 2.87Å
486	P	75.8	Confident	88.9	Confident	20 Å²	20	30.5 Å²	30.5	13%	0.13	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-20.3	177.8	-20.6	33.8	0	0	0	113.6	N384 V488 W629	N384-P486 WeakPolarHBondContact O-CD 3Å; N384-P486 WeakPolarHBondContact O-CG 3.3Å; P486-V488 PolarHBondContact O-N 2.89Å; P486-W629 HydrophobicContact CB-CD2 4.42Å; P486-W629 HydrophobicContact CB-CH2 4.05Å; P486-W629 HydrophobicContact CB-CZ2 3.54Å; P486-W629 HydrophobicContact CG-CD2 4.26Å; P486-W629 VanDerWaalsContact CG-CE2 3.41Å; P486-W629 HydrophobicContact CG-CZ2 3.62Å
487	S	76.2	Confident	89.4	Confident	83 Å²	83	29.5 Å²	29.5	58%	0.58	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-11.1	174.2	59.8	0	0	0	0	113.5	K485 H489	K485-S487 PolarHBondContact O-N 3Å; K485-S487 VanDerWaalsContact O-N 3.14Å; S487-H489 PolarHBondContact O-N 3.49Å
488	V	82.8	Confident	89.6	Confident	19 Å²	19	29.7 Å²	29.7	12%	0.115	14%	0.144	C	C	.	.			trans	-76	117.1	177	174.3	0	0	0	0	108.9	I459 L484 K485 P486 E490 V491 F1037	I459-V488 HydrophobicContact CG2-CB 4.19Å; I459-V488 HydrophobicContact CG2-CG1 3.52Å; I459-V488 HydrophobicContact CG2-CG2 3.54Å; L484-V488 HydrophobicContact CD2-CG1 4.5Å; L484-V488 HydrophobicContact CD2-CG2 4.38Å; K485-V488 HydrophobicContact CB-CG2 4.47Å; K485-V488 VanDerWaalsContact O-CB 3.29Å; K485-V488 WeakPolarHBondContact O-CB 3.23Å; K485-V488 WeakPolarHBondContact O-CG2 3.27Å; K485-V488 PolarHBondContact O-N 2.87Å; P486-V488 PolarHBondContact O-N 2.89Å; V488-E490 WeakPolarHBondContact CG1-O 3.5Å; V488-V491 HydrophobicContact CG1-CG2 3.88Å; V488-F1037 HydrophobicContact CG1-CD2 4.27Å; V488-F1037 HydrophobicContact CG1-CE2 4.4Å; V488-F1037 WeakPolarHBondContact O-CB 3.26Å; V488-F1037 WeakPolarHBondContact O-CD2 3.37Å
489	H	82.8	Confident	89.3	Confident	130 Å²	130	30.7 Å²	30.7	60%	0.602	15%	0.15	S	C	*	.			trans	-89.3	-23.4	177.5	-60.3	-39.9	0	0	0	113.5	S487 Q1036 F1037	S487-H489 PolarHBondContact O-N 3.49Å; H489-Q1036 CarbonylContact O-C 3.6Å; H489-Q1036 WeakPolarHBondContact O-CA 3.5Å; H489-F1037 PolarHBondContact O-N 3.03Å
490	E	89.1	Confident	88.8	Confident	39 Å²	39	31 Å²	31	18%	0.182	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	141.8	-173.2	-168.7	-177.1	-176.5	0	0	111.7	I459 G460 V488 R492 T1034 V1035 Q1036	I459-E490 CarbonylContact C-O 3.5Å; G460-E490 PolarHBondContact N-O 3.36Å; V488-E490 WeakPolarHBondContact CG1-O 3.5Å; E490-R492 HydrophobicContact CG-CG 4.19Å; E490-R492 WeakPolarHBondContact OE1-CG 3.31Å; E490-R492 IonicContact OE1-CZ 2.8Å; E490-R492 IonicContact OE1-NE 3.26Å; E490-R492 PolarHBondContact OE1-NE 3.37Å; E490-R492 IonicContact OE1-NH2 3.39Å; E490-R492 IonicContact OE2-CZ 3.51Å; E490-R492 IonicContact OE2-NE 3.25Å; E490-R492 PolarHBondContact OE2-NE 3.34Å; E490-R492 IonicContact OE2-NH2 3.55Å; E490-R492 PolarHBondContact OE2-NH2 3.47Å; E490-T1034 HydrophobicContact CG-CG2 3.69Å; E490-T1034 WeakPolarHBondContact OE1-CG2 3.48Å; E490-V1035 CarbonylContact C-O 3.58Å; E490-V1035 VanDerWaalsContact CA-O 3.26Å; E490-V1035 WeakPolarHBondContact CA-O 3.46Å; E490-Q1036 HydrophobicContact CG-CG 4.21Å
491	V	93.2	Very high	88.3	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	126.3	167.4	168.9	0	0	0	0	108.9	Y458 I459 M482 L484 V488 I493 T1034 V1035 F1037	Y458-V491 CarbonylContact O-C 3.5Å; Y458-V491 VanDerWaalsContact O-CA 3.3Å; Y458-V491 WeakPolarHBondContact O-CA 3.3Å; I459-V491 HydrophobicContact CG1-CG2 4.23Å; I459-V491 HydrophobicContact CG2-CG2 4.38Å; M482-V491 HydrophobicContact CE-CG1 3.73Å; M482-V491 HydrophobicContact CE-CG2 4.21Å; L484-V491 HydrophobicContact CD1-CG2 3.58Å; L484-V491 HydrophobicContact CD2-CG2 4.08Å; V488-V491 HydrophobicContact CG1-CG2 3.88Å; V491-I493 HydrophobicContact CG1-CD1 3.74Å; V491-I493 HydrophobicContact CG1-CG1 3.85Å; V491-T1034 CarbonylContact O-C 3.58Å; V491-T1034 VanDerWaalsContact O-CA 3.31Å; V491-T1034 WeakPolarHBondContact O-CA 3.26Å; V491-V1035 PolarHBondContact N-O 2.88Å; V491-V1035 PolarHBondContact O-N 2.79Å; V491-F1037 HydrophobicContact CB-CE2 4.33Å; V491-F1037 HydrophobicContact CG2-CE2 3.95Å
492	R	92.4	Very high	87.8	Confident	76 Å²	76	30.4 Å²	30.4	29%	0.287	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	127.2	177.5	-56.4	179.5	-160.1	156.8	15.5	109.9	C457 Y458 E490 T1034	C457-R492 CarbonylContact C-O 3.59Å; C457-R492 VanDerWaalsContact CA-O 3.29Å; C457-R492 WeakPolarHBondContact CA-O 3.41Å; Y458-R492 PolarHBondContact N-O 2.78Å; Y458-R492 PolarHBondContact O-N 2.81Å; E490-R492 HydrophobicContact CG-CG 4.19Å; E490-R492 WeakPolarHBondContact OE1-CG 3.31Å; E490-R492 IonicContact OE1-CZ 2.8Å; E490-R492 IonicContact OE1-NE 3.26Å; E490-R492 PolarHBondContact OE1-NE 3.37Å; E490-R492 IonicContact OE1-NH2 3.39Å; E490-R492 IonicContact OE2-CZ 3.51Å; E490-R492 IonicContact OE2-NE 3.25Å; E490-R492 PolarHBondContact OE2-NE 3.34Å; E490-R492 IonicContact OE2-NH2 3.55Å; E490-R492 PolarHBondContact OE2-NH2 3.47Å; R492-T1034 HydrophobicContact CG-CG2 3.98Å
493	I	94.5	Very high	86.9	Confident	4 Å²	4	30.4 Å²	30.4	2%	0.021	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	135.3	-176.5	-67.5	172.5	0	0	0	110.1	L454 F456 F469 M482 V491 L495 A1032 F1033	L454-I493 HydrophobicContact CD1-CG2 4.03Å; F456-I493 WeakPolarHBondContact O-CA 3.46Å; F469-I493 HydrophobicContact CZ-CD1 4.23Å; M482-I493 HydrophobicContact CE-CD1 4.45Å; V491-I493 HydrophobicContact CG1-CD1 3.74Å; V491-I493 HydrophobicContact CG1-CG1 3.85Å; I493-L495 HydrophobicContact CG2-CD1 3.83Å; I493-L495 HydrophobicContact CG2-CD2 4.13Å; I493-L495 HydrophobicContact CG2-CG 3.63Å; I493-A1032 WeakPolarHBondContact O-CA 2.91Å; I493-F1033 HydrophobicContact CB-CE1 4Å; I493-F1033 HydrophobicContact CB-CE2 4.04Å; I493-F1033 HydrophobicContact CB-CZ 3.73Å; I493-F1033 HydrophobicContact CD1-CE2 3.94Å; I493-F1033 HydrophobicContact CD1-CZ 3.79Å; I493-F1033 HydrophobicContact CG1-CE2 4.44Å; I493-F1033 HydrophobicContact CG1-CZ 4.32Å; I493-F1033 HydrophobicContact CG2-CE1 3.76Å; I493-F1033 HydrophobicContact CG2-CZ 3.75Å; I493-F1033 PolarHBondContact N-O 3.27Å; I493-F1033 PolarHBondContact O-N 2.98Å
494	V	92.4	Very high	85.4	Confident	11 Å²	11	30.3 Å²	30.3	7%	0.067	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	126.3	166.8	-170.1	0	0	0	0	109.3	K455 F456 Y646 L1030 V1031 A1032	K455-V494 PolarHBondContact N-O 3.49Å; F456-V494 HydrophobicContact CB-CB 3.76Å; F456-V494 HydrophobicContact CB-CG2 3.86Å; F456-V494 HydrophobicContact CD1-CG2 4.12Å; F456-V494 HydrophobicContact CG-CG2 4.34Å; F456-V494 PolarHBondContact N-O 3.29Å; F456-V494 VanDerWaalsContact N-O 3.11Å; F456-V494 PolarHBondContact O-N 2.91Å; V494-Y646 HydrophobicContact CG1-CD1 4.38Å; V494-Y646 HydrophobicContact CG1-CE1 4.21Å; V494-Y646 HydrophobicContact CG2-CE1 4.23Å; V494-L1030 HydrophobicContact CG1-CB 4.04Å; V494-L1030 HydrophobicContact CG1-CD1 4.25Å; V494-L1030 HydrophobicContact CG1-CD2 4.03Å; V494-L1030 HydrophobicContact CG1-CG 4.35Å; V494-V1031 CarbonylContact C-O 3.52Å; V494-V1031 WeakPolarHBondContact CA-O 3.34Å; V494-A1032 HydrophobicContact CG1-CB 4.38Å; V494-A1032 HydrophobicContact CG2-CB 4.15Å
495	L	94.6	Very high	83.7	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	142.7	-176.1	-62.4	157	0	0	0	110.2	L390 L450 M453 L454 I493 F512 L1030 V1031 F1033	L390-L495 HydrophobicContact CD1-CD1 3.97Å; L390-L495 HydrophobicContact CD2-CD1 3.57Å; L390-L495 HydrophobicContact CD2-CD2 4.08Å; L390-L495 HydrophobicContact CD2-CG 4.49Å; L390-L495 HydrophobicContact CG-CD1 4.36Å; L450-L495 HydrophobicContact CD1-CD2 3.88Å; M453-L495 HydrophobicContact CB-CD2 4.3Å; M453-L495 CarbonylContact O-C 3.52Å; M453-L495 WeakPolarHBondContact O-CA 3.39Å; L454-L495 HydrophobicContact CB-CD2 4.23Å; L454-L495 HydrophobicContact CD1-CD2 3.69Å; I493-L495 HydrophobicContact CG2-CD1 3.83Å; I493-L495 HydrophobicContact CG2-CD2 4.13Å; I493-L495 HydrophobicContact CG2-CG 3.63Å; L495-F512 HydrophobicContact CB-CD2 4.39Å; L495-F512 HydrophobicContact CB-CE2 3.58Å; L495-F512 HydrophobicContact CB-CZ 3.66Å; L495-F512 HydrophobicContact CD1-CD1 3.99Å; L495-F512 HydrophobicContact CD1-CD2 3.79Å; L495-F512 HydrophobicContact CD1-CE1 3.92Å; L495-F512 HydrophobicContact CD1-CE2 3.73Å; L495-F512 HydrophobicContact CD1-CG 3.95Å; L495-F512 HydrophobicContact CD1-CZ 3.81Å; L495-F512 HydrophobicContact CG-CE2 4.27Å; L495-F512 HydrophobicContact CG-CZ 4.21Å; L495-L1030 CarbonylContact O-C 3.55Å; L495-L1030 VanDerWaalsContact O-CA 3.3Å; L495-L1030 WeakPolarHBondContact O-CA 3.4Å; L495-V1031 PolarHBondContact N-O 2.62Å; L495-V1031 PolarHBondContact O-N 3.29Å; L495-F1033 HydrophobicContact CD1-CE1 3.84Å; L495-F1033 HydrophobicContact CD1-CZ 4.5Å
496	D	93	Very high	82.1	Confident	1 Å²	1	28 Å²	28	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	122	158.4	-179.2	6.7	0	0	0	108.2	M453 K455 Q498 R659 V1025	M453-D496 PolarHBondContact O-N 2.8Å; K455-D496 HydrophobicContact CD-CB 4.46Å; K455-D496 HydrophobicContact CG-CB 4.28Å; D496-Q498 HydrophobicContact CB-CG 4.48Å; D496-Q498 PolarHBondContact O-N 3.14Å; D496-Q498 PolarHBondContact OD1-N 3Å; D496-R659 IonicContact OD1-CZ 2.97Å; D496-R659 IonicContact OD1-NE 2.68Å; D496-R659 IonicContact OD1-NH2 3.88Å; D496-R659 PolarHBondContact OD1-NH2 3.07Å; D496-R659 IonicContact OD2-CZ 2.79Å; D496-R659 IonicContact OD2-NE 3.56Å; D496-R659 PolarHBondContact OD2-NE 3.29Å; D496-R659 IonicContact OD2-NH2 3.9Å; D496-V1025 HydrophobicContact CB-CG1 4.04Å; D496-V1025 HydrophobicContact CB-CG2 4.11Å; D496-V1025 VanDerWaalsContact OD2-CG2 3.27Å; D496-V1025 WeakPolarHBondContact OD2-CG2 3.44Å
497	S	90.2	Very high	81	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.172	C	C	.	.			trans	-64.1	-23.3	175.5	54.2	0	0	0	0	112.8	N392 D499 Y502 I510 T566 N1029	N392-S497 PolarHBondContact ND2-O 3.16Å; N392-S497 VanDerWaalsContact ND2-O 3.13Å; S497-D499 VanDerWaalsContact C-N 3.27Å; S497-D499 PolarHBondContact O-N 3.43Å; S497-Y502 VanDerWaalsContact O-CE2 3.26Å; S497-Y502 WeakPolarHBondContact O-CE2 3.15Å; S497-I510 VanDerWaalsContact CB-CG2 3.46Å; S497-I510 WeakPolarHBondContact OG-CG2 3.45Å; S497-T566 WeakPolarHBondContact OG-CG2 3.37Å; S497-N1029 PolarHBondContact N-O 3.46Å; S497-N1029 PolarHBondContact OG-O 2.85Å
498	Q	90.1	Very high	80.3	Confident	5 Å²	5	33.5 Å²	33.5	2%	0.023	17%	0.174	C	C	.	.			trans	55.3	42	-171.4	-61.6	-176.6	-37	0	0	112.5	H448 M453 D496 Y500 D501 Y502	H448-Q498 PolarHBondContact ND1-OE1 3.3Å; M453-Q498 HydrophobicContact CG-CG 4.2Å; D496-Q498 HydrophobicContact CB-CG 4.48Å; D496-Q498 PolarHBondContact O-N 3.14Å; D496-Q498 PolarHBondContact OD1-N 3Å; Q498-Y500 HydrophobicContact CB-CD1 4.43Å; Q498-Y500 HydrophobicContact CB-CE1 3.8Å; Q498-Y500 HydrophobicContact CG-CE1 3.98Å; Q498-Y500 PolarHBondContact O-N 3.42Å; Q498-Y500 VanDerWaalsContact O-N 3.16Å; Q498-D501 PolarHBondContact O-N 3.05Å; Q498-Y502 WeakPolarHBondContact O-CD2 3.41Å
499	D	85.1	Confident	79.7	Confident	33 Å²	33	36 Å²	36	18%	0.176	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-51.2	-32.1	178.4	64.3	-43.4	0	0	0	115	S497 D501 Y502 I510 R659 N1029	S497-D499 VanDerWaalsContact C-N 3.27Å; S497-D499 PolarHBondContact O-N 3.43Å; D499-D501 PolarHBondContact O-N 2.86Å; D499-Y502 WeakPolarHBondContact O-CB 3.3Å; D499-Y502 PolarHBondContact O-N 2.76Å; D499-I510 HydrophobicContact CB-CD1 3.95Å; D499-I510 HydrophobicContact CB-CG2 3.92Å; D499-R659 IonicContact OD1-CZ 3.28Å; D499-R659 IonicContact OD1-NH1 3.53Å; D499-R659 IonicContact OD1-NH2 2.75Å; D499-R659 PolarHBondContact OD1-NH2 3.15Å; D499-N1029 PolarHBondContact OD1-ND2 2.92Å; D499-N1029 PolarHBondContact OD2-ND2 3.08Å
500	Y	83.3	Confident	79.6	Confident	6 Å²	6	31.9 Å²	31.9	2%	0.024	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-59.4	-17.2	175.1	65.1	-90	0	0	0	113.9	Q498 R659 L664 G667 Q671	Q498-Y500 HydrophobicContact CB-CD1 4.43Å; Q498-Y500 HydrophobicContact CB-CE1 3.8Å; Q498-Y500 HydrophobicContact CG-CE1 3.98Å; Q498-Y500 PolarHBondContact O-N 3.42Å; Q498-Y500 VanDerWaalsContact O-N 3.16Å; Y500-R659 VanDerWaalsContact CD1-CZ 3.41Å; Y500-R659 HydrophobicContact CE1-CG 4.29Å; Y500-L664 HydrophobicContact CD1-CD1 4.21Å; Y500-L664 HydrophobicContact CD2-CD1 3.78Å; Y500-L664 HydrophobicContact CE2-CB 4.41Å; Y500-L664 HydrophobicContact CE2-CD1 4.3Å; Y500-L664 HydrophobicContact CG-CD1 3.72Å; Y500-G667 CarbonylContact O-C 3.58Å; Y500-Q671 PolarHBondContact O-NE2 2.98Å
501	D	86.2	Confident	79.6	Confident	3 Å²	3	30 Å²	30	2%	0.016	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-114.8	12.4	-174.9	-152.9	13.2	0	0	0	113.9	N394 R397 G398 S399 Q498 D499	N394-D501 PolarHBondContact ND2-O 3.37Å; R397-D501 WeakPolarHBondContact CB-OD2 3.48Å; R397-D501 WeakPolarHBondContact CG-OD2 3.44Å; G398-D501 WeakPolarHBondContact CA-OD1 3.35Å; G398-D501 PolarHBondContact N-O 3.36Å; G398-D501 VanDerWaalsContact N-O 3.14Å; G398-D501 PolarHBondContact N-OD1 3.25Å; G398-D501 VanDerWaalsContact N-OD1 3.11Å; S399-D501 VanDerWaalsContact CB-OD1 3.29Å; S399-D501 WeakPolarHBondContact CB-OD1 3.31Å; S399-D501 WeakPolarHBondContact CB-OD2 3.49Å; S399-D501 PolarHBondContact N-OD1 2.94Å; S399-D501 VanDerWaalsContact OG-CG 3.32Å; S399-D501 PolarHBondContact OG-OD1 3.32Å; S399-D501 PolarHBondContact OG-OD2 3.19Å; Q498-D501 PolarHBondContact O-N 3.05Å; D499-D501 PolarHBondContact O-N 2.86Å
502	Y	83.9	Confident	79.5	Confident	9 Å²	9	30 Å²	30	4%	0.035	16%	0.159	C	C	.	.			trans	-72.8	138.7	178.5	-87.6	-138.6	0	0	0	112.3	N392 N394 S497 Q498 D499 I504 I510 G511	N392-Y502 PolarHBondContact OD1-OH 3.39Å; N394-Y502 HydrophobicContact CB-CD1 3.77Å; N394-Y502 HydrophobicContact CB-CD2 3.64Å; N394-Y502 HydrophobicContact CB-CE1 3.7Å; N394-Y502 HydrophobicContact CB-CE2 3.54Å; N394-Y502 HydrophobicContact CB-CG 3.74Å; S497-Y502 VanDerWaalsContact O-CE2 3.26Å; S497-Y502 WeakPolarHBondContact O-CE2 3.15Å; Q498-Y502 WeakPolarHBondContact O-CD2 3.41Å; D499-Y502 WeakPolarHBondContact O-CB 3.3Å; D499-Y502 PolarHBondContact O-N 2.76Å; Y502-I504 PolarHBondContact O-N 2.85Å; Y502-I510 HydrophobicContact CD1-CG1 4.12Å; Y502-I510 HydrophobicContact CE1-CB 4.11Å; Y502-I510 HydrophobicContact CE1-CG1 3.93Å; Y502-I510 HydrophobicContact CE1-CG2 3.98Å; Y502-G511 PolarHBondContact OH-N 3.18Å; Y502-G511 VanDerWaalsContact OH-N 3.17Å; Y502-G511 PolarHBondContact OH-O 3.41Å
503	I	74	Confident	79.3	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.005	15%	0.152	C	C	.	.			trans	-91.1	80.7	173.2	-56.7	-178.8	0	0	0	108	I396 L401 Y411 I414 I415 R418	I396-I503 HydrophobicContact CB-CD1 3.88Å; I396-I503 HydrophobicContact CG2-CD1 3.48Å; I396-I503 VanDerWaalsContact CG2-CD1 3.48Å; I396-I503 VanDerWaalsContact O-CD1 3.31Å; I396-I503 WeakPolarHBondContact O-CD1 3.31Å; I396-I503 WeakPolarHBondContact O-CG1 2.91Å; L401-I503 HydrophobicContact CD2-CD1 3.91Å; Y411-I503 HydrophobicContact CD2-CD1 4.16Å; Y411-I503 HydrophobicContact CD2-CG1 4.19Å; Y411-I503 HydrophobicContact CD2-CG2 3.93Å; Y411-I503 HydrophobicContact CE2-CB 4.23Å; Y411-I503 HydrophobicContact CE2-CD1 4.46Å; Y411-I503 HydrophobicContact CE2-CG1 3.98Å; Y411-I503 HydrophobicContact CE2-CG2 3.67Å; I414-I503 HydrophobicContact CG2-CG2 3.71Å; I415-I503 HydrophobicContact CD1-CG2 3.52Å; I415-I503 HydrophobicContact CG1-CG2 4.07Å; R418-I503 PolarHBondContact NH1-O 3.49Å
504	I	60.9	Low	79.1	Confident	88 Å²	88	27.7 Å²	27.7	45%	0.451	15%	0.152	S	C	.	.	S	Bend	trans	-68.8	150	-166.1	-69.7	179.6	0	0	0	112.4	I415 Y502	I415-I504 WeakPolarHBondContact CD1-O 3.31Å; Y502-I504 PolarHBondContact O-N 2.85Å
505	P	53.8	Low	79	Confident	30 Å²	30	27.2 Å²	27.2	20%	0.195	15%	0.149	C	C	.	.			cis	-128.4	111.1	21.8	8.1	20.9	0	0	0	115	I422 K507	I422-P505 HydrophobicContact CD1-CB 3.39Å; I422-P505 HydrophobicContact CD1-CG 3.18Å; P505-K507 PolarHBondContact O-N 3.05Å
506	H	50.8	Low	78.7	Confident	30 Å²	30	27.2 Å²	27.2	14%	0.139	15%	0.149	C	C	.	.	S	Bend	trans	-70.7	49.6	169.9	-75.2	-84	0	0	0	113.1	L393 N394 R418 G508 L509	L393-H506 PolarHBondContact O-CE1 2.74Å; L393-H506 PolarHBondContact O-NE2 3.47Å; N394-H506 WeakPolarHBondContact CA-NE2 3.44Å; N394-H506 PolarHBondContact OD1-NE2 3.04Å; R418-H506 VanDerWaalsContact CZ-CE1 3.5Å; R418-H506 VanDerWaalsContact CZ-NE2 3.32Å; R418-H506 PolarHBondContact NH1-CD2 3.34Å; R418-H506 PolarHBondContact NH1-NE2 3.47Å; R418-H506 PolarHBondContact NH2-CE1 2.84Å; R418-H506 PolarHBondContact NH2-NE2 3.38Å; H506-G508 PolarHBondContact O-N 3.14Å; H506-L509 WeakPolarHBondContact O-CB 2.96Å; H506-L509 PolarHBondContact O-N 3.18Å
507	K	51.5	Low	78.4	Confident	160 Å²	160	27.5 Å²	27.5	70%	0.696	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	19.7	-165.3	-57.4	-179.1	179.8	176.8	0	113.7	P505 L509	P505-K507 PolarHBondContact O-N 3.05Å; K507-L509 VanDerWaalsContact C-N 3.34Å
508	G	61.5	Low	77.8	Confident	59 Å²	59	27.8 Å²	27.8	61%	0.608	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.9	0.3	-173	0	0	0	0	0	115.8	H506	H506-G508 PolarHBondContact O-N 3.14Å
509	L	69.8	Low	77.4	Confident	70 Å²	70	28.5 Å²	28.5	37%	0.366	16%	0.156	S	C	.	.			trans	-77.1	130.2	179.8	-68.1	168.2	0	0	0	111.6	L346 L393 H506 K507	L346-L509 HydrophobicContact CD2-CD2 4.45Å; L393-L509 HydrophobicContact CD1-CB 4.37Å; H506-L509 WeakPolarHBondContact O-CB 2.96Å; H506-L509 PolarHBondContact O-N 3.18Å; K507-L509 VanDerWaalsContact C-N 3.34Å
510	I	81.2	Confident	77.3	Confident	44 Å²	44	29.5 Å²	29.5	23%	0.226	16%	0.159	C	C	.	.			trans	-124	131.8	178.8	-62.4	165	0	0	0	108.5	S497 D499 Y502 S565 T566	S497-I510 VanDerWaalsContact CB-CG2 3.46Å; S497-I510 WeakPolarHBondContact OG-CG2 3.45Å; D499-I510 HydrophobicContact CB-CD1 3.95Å; D499-I510 HydrophobicContact CB-CG2 3.92Å; Y502-I510 HydrophobicContact CD1-CG1 4.12Å; Y502-I510 HydrophobicContact CE1-CB 4.11Å; Y502-I510 HydrophobicContact CE1-CG1 3.93Å; Y502-I510 HydrophobicContact CE1-CG2 3.98Å; I510-S565 VanDerWaalsContact O-CA 3.31Å; I510-S565 WeakPolarHBondContact O-CA 3.42Å; I510-S565 WeakPolarHBondContact O-CB 3.44Å; I510-T566 HydrophobicContact CB-CG2 4.36Å; I510-T566 HydrophobicContact CG2-CG2 3.74Å; I510-T566 PolarHBondContact O-N 3.12Å
511	G	88.7	Confident	77.3	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.5	-143.2	-179	0	0	0	0	0	115.1	N392 L393 Y502 V564	N392-G511 PolarHBondContact OD1-O 3.45Å; L393-G511 WeakPolarHBondContact CB-O 3.13Å; L393-G511 PolarHBondContact N-O 3.19Å; Y502-G511 PolarHBondContact OH-N 3.18Å; Y502-G511 VanDerWaalsContact OH-N 3.17Å; Y502-G511 PolarHBondContact OH-O 3.41Å; G511-V564 CarbonylContact C-O 3.53Å; G511-V564 VanDerWaalsContact CA-O 3.3Å; G511-V564 WeakPolarHBondContact CA-O 3.46Å
512	F	91.2	Very high	77	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	146.1	-171.3	-61.6	-97.6	0	0	0	112.1	L390 C391 N392 M453 L495 T563 V564 V1031	L390-F512 HydrophobicContact CD1-CB 3.61Å; L390-F512 HydrophobicContact CD1-CD1 3.83Å; L390-F512 HydrophobicContact CD1-CG 3.9Å; L390-F512 HydrophobicContact CD2-CD1 4.33Å; L390-F512 HydrophobicContact CG-CD1 4Å; C391-F512 CarbonylContact O-C 3.52Å; C391-F512 WeakPolarHBondContact O-CA 2.89Å; C391-F512 WeakPolarHBondContact O-CB 3.07Å; N392-F512 HydrophobicContact CB-CD1 4.11Å; N392-F512 HydrophobicContact CB-CE1 3.91Å; M453-F512 HydrophobicContact CE-CE1 4.22Å; M453-F512 HydrophobicContact SD-CE1 3.64Å; M453-F512 HydrophobicContact SD-CZ 3.83Å; L495-F512 HydrophobicContact CB-CD2 4.39Å; L495-F512 HydrophobicContact CB-CE2 3.58Å; L495-F512 HydrophobicContact CB-CZ 3.66Å; L495-F512 HydrophobicContact CD1-CD1 3.99Å; L495-F512 HydrophobicContact CD1-CD2 3.79Å; L495-F512 HydrophobicContact CD1-CE1 3.92Å; L495-F512 HydrophobicContact CD1-CE2 3.73Å; L495-F512 HydrophobicContact CD1-CG 3.95Å; L495-F512 HydrophobicContact CD1-CZ 3.81Å; L495-F512 HydrophobicContact CG-CE2 4.27Å; L495-F512 HydrophobicContact CG-CZ 4.21Å; F512-T563 WeakPolarHBondContact O-CA 3.25Å; F512-V564 HydrophobicContact CB-CG2 3.94Å; F512-V564 PolarHBondContact N-O 3.37Å; F512-V564 WeakPolarHBondContact O-CG2 3.49Å; F512-V564 PolarHBondContact O-N 2.58Å; F512-V1031 HydrophobicContact CD2-CB 3.92Å; F512-V1031 HydrophobicContact CD2-CG1 4.01Å; F512-V1031 HydrophobicContact CD2-CG2 3.83Å; F512-V1031 HydrophobicContact CE2-CB 3.97Å; F512-V1031 HydrophobicContact CE2-CG2 3.8Å
513	H	88.6	Confident	77	Confident	31 Å²	31	38.7 Å²	38.7	14%	0.144	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	140.6	161	-70.1	-95.3	0	0	0	110.2	C391 L393 W515 E561 T563	C391-H513 HydrophobicContact CB-CB 4.46Å; C391-H513 PolarHBondContact N-O 3.26Å; C391-H513 PolarHBondContact O-N 3.38Å; L393-H513 WeakPolarHBondContact CD2-CD2 3.45Å; L393-H513 WeakPolarHBondContact CD2-NE2 3.32Å; H513-W515 HydrophobicContact CB-CE3 4.1Å; H513-W515 HydrophobicContact CB-CH2 3.07Å; H513-W515 HydrophobicContact CB-CZ2 3.83Å; H513-W515 HydrophobicContact CB-CZ3 3.2Å; H513-W515 AromaticContact CG-CH2 3.64Å; H513-E561 IonicContact CE1-OE1 2.88Å; H513-E561 IonicContact ND1-OE1 3.65Å; H513-E561 PolarHBondContact ND1-OE1 2.86Å; H513-T563 PolarHBondContact ND1-OG1 2.79Å
514	L	91.4	Very high	77.5	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	129.9	179.4	-174.4	76.5	0	0	0	109.6	I388 T389 L390 E561 I562 I572 F1033 V1035	I388-L514 HydrophobicContact CG2-CD1 3.33Å; I388-L514 HydrophobicContact CG2-CG 4.28Å; T389-L514 WeakPolarHBondContact O-CA 3.17Å; L390-L514 HydrophobicContact CD1-CD1 4.26Å; L514-E561 WeakPolarHBondContact O-CA 3.46Å; L514-I562 HydrophobicContact CB-CG2 3.84Å; L514-I562 HydrophobicContact CD2-CG2 3.94Å; L514-I562 HydrophobicContact CG-CG2 4.35Å; L514-I562 PolarHBondContact N-O 3.35Å; L514-I562 PolarHBondContact O-N 3.08Å; L514-I572 HydrophobicContact CD2-CD1 3.41Å; L514-I572 VanDerWaalsContact CD2-CD1 3.41Å; L514-F1033 HydrophobicContact CD1-CE2 4.12Å; L514-F1033 HydrophobicContact CD1-CZ 4.21Å; L514-F1033 HydrophobicContact CD2-CD2 4.31Å; L514-F1033 HydrophobicContact CD2-CE2 4.02Å; L514-V1035 HydrophobicContact CD2-CG2 4.22Å
515	W	90	Very high	78.3	Confident	1 Å²	1	44 Å²	44	0%	0.004	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	147.2	171.2	-63.2	-98	0	0	0	111.4	I388 T389 C391 Y476 H513 H517 L527 N560 E561	I388-W515 CarbonylContact C-O 3.54Å; I388-W515 WeakPolarHBondContact CA-O 3.22Å; T389-W515 HydrophobicContact CG2-CE3 4.39Å; T389-W515 PolarHBondContact N-O 3.03Å; T389-W515 PolarHBondContact O-N 3.01Å; C391-W515 HydrophobicContact CB-CH2 4.35Å; C391-W515 HydrophobicContact CB-CZ3 3.84Å; C391-W515 WeakPolarHBondContact SG-CZ3 3.25Å; Y476-W515 HydrophobicContact CD1-CH2 4.2Å; Y476-W515 HydrophobicContact CD1-CZ2 4.49Å; Y476-W515 AromaticContact CD2-CH2 3.37Å; Y476-W515 HydrophobicContact CD2-CH2 3.37Å; Y476-W515 AromaticContact CD2-CZ2 3.61Å; Y476-W515 HydrophobicContact CD2-CZ2 3.61Å; Y476-W515 HydrophobicContact CD2-CZ3 4.28Å; Y476-W515 HydrophobicContact CE1-CH2 4.35Å; Y476-W515 HydrophobicContact CE1-CZ2 4.18Å; Y476-W515 AromaticContact CE2-CH2 3.56Å; Y476-W515 HydrophobicContact CE2-CH2 3.56Å; Y476-W515 AromaticContact CE2-CZ2 3.24Å; Y476-W515 HydrophobicContact CE2-CZ2 3.24Å; Y476-W515 AromaticContact CG-CH2 3.72Å; Y476-W515 HydrophobicContact CG-CH2 3.72Å; Y476-W515 HydrophobicContact CG-CZ2 4.23Å; Y476-W515 AromaticContact CZ-CZ2 3.56Å; H513-W515 HydrophobicContact CB-CE3 4.1Å; H513-W515 HydrophobicContact CB-CH2 3.07Å; H513-W515 HydrophobicContact CB-CZ2 3.83Å; H513-W515 HydrophobicContact CB-CZ3 3.2Å; H513-W515 AromaticContact CG-CH2 3.64Å; W515-H517 VanDerWaalsContact CB-NE2 3.27Å; W515-H517 WeakPolarHBondContact CB-NE2 3.37Å; W515-L527 HydrophobicContact CB-CD1 4.39Å; W515-L527 HydrophobicContact CD2-CD1 4.05Å; W515-L527 HydrophobicContact CD2-CD2 4.45Å; W515-L527 HydrophobicContact CE3-CD1 4.21Å; W515-L527 HydrophobicContact CG-CD1 4.14Å; W515-L527 HydrophobicContact CZ2-CD2 4.49Å; W515-N560 VanDerWaalsContact CA-O 3.31Å; W515-N560 WeakPolarHBondContact CA-O 3.31Å; W515-E561 HydrophobicContact CD2-CG 4.43Å; W515-E561 HydrophobicContact CG-CB 4.48Å; W515-E561 HydrophobicContact CZ2-CG 4.06Å; W515-E561 VanDerWaalsContact NE1-CD 3.35Å; W515-E561 VanDerWaalsContact NE1-CG 3.3Å; W515-E561 PolarHBondContact NE1-OE2 2.9Å
516	I	88.1	Confident	79.4	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	115.9	173.6	-51.5	-175.1	0	0	0	109.3	F386 N560 V574 A631 I633 V1035	F386-I516 HydrophobicContact CD2-CG2 4.45Å; I516-N560 PolarHBondContact N-O 3.19Å; I516-N560 WeakPolarHBondContact O-CB 3.45Å; I516-N560 PolarHBondContact O-ND2 2.93Å; I516-V574 HydrophobicContact CD1-CB 4.29Å; I516-V574 HydrophobicContact CD1-CG1 4.08Å; I516-V574 HydrophobicContact CD1-CG2 3.24Å; I516-V574 HydrophobicContact CG2-CG1 4.21Å; I516-A631 HydrophobicContact CG2-CB 3.64Å; I516-I633 HydrophobicContact CD1-CD1 4.42Å; I516-I633 HydrophobicContact CD1-CG1 4.08Å; I516-I633 HydrophobicContact CG1-CG1 4.5Å; I516-V1035 HydrophobicContact CD1-CG1 3.96Å
517	H	85.5	Confident	80.9	Confident	6 Å²	6	43.6 Å²	43.6	3%	0.028	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	144.4	-175.7	-52.1	-81.7	0	0	0	111.4	T387 T389 W515 N519 A523 L527	T387-H517 PolarHBondContact N-O 3.05Å; T387-H517 PolarHBondContact O-N 3.18Å; T389-H517 PolarHBondContact OG1-CD2 3.2Å; T389-H517 PolarHBondContact OG1-NE2 2.99Å; W515-H517 VanDerWaalsContact CB-NE2 3.27Å; W515-H517 WeakPolarHBondContact CB-NE2 3.37Å; H517-N519 VanDerWaalsContact C-N 3.25Å; H517-N519 PolarHBondContact O-N 2.99Å; H517-A523 HydrophobicContact CB-CB 3.82Å; H517-A523 WeakPolarHBondContact CD2-CB 3.33Å; H517-A523 VanDerWaalsContact CG-CB 3.45Å; H517-L527 VanDerWaalsContact NE2-CD1 3.3Å; H517-L527 WeakPolarHBondContact NE2-CD1 3.29Å
518	P	79.5	Confident	82.4	Confident	7 Å²	7	37.7 Å²	37.7	5%	0.045	19%	0.194	C	C	.	.	S	Bend	trans	-47.9	-41.5	170	-39	44.2	0	0	0	115.7	F386 K522 V628 W629	F386-P518 WeakPolarHBondContact CA-O 3.4Å; P518-K522 HydrophobicContact CB-CD 4.2Å; P518-K522 HydrophobicContact CG-CD 3.84Å; P518-V628 HydrophobicContact CB-CG1 3.69Å; P518-W629 WeakPolarHBondContact CA-O 3.3Å; P518-W629 WeakPolarHBondContact CB-O 3.34Å
519	N	79.9	Confident	82.8	Confident	20 Å²	20	36 Å²	36	11%	0.107	17%	0.171	C	C	.	.	S	Bend	trans	-160.2	173.8	178.6	61.2	22.9	0	0	0	109.7	H517 Q521 K522 A523	H517-N519 VanDerWaalsContact C-N 3.25Å; H517-N519 PolarHBondContact O-N 2.99Å; N519-Q521 PolarHBondContact OD1-N 3.38Å; N519-K522 WeakPolarHBondContact OD1-CB 3.39Å; N519-K522 PolarHBondContact OD1-N 2.93Å; N519-A523 PolarHBondContact O-N 3.17Å; N519-A523 VanDerWaalsContact O-N 3.11Å
520	E	84	Confident	82.5	Confident	54 Å²	54	35.9 Å²	35.9	25%	0.252	17%	0.168	S	C	.	.	H	α-helix	trans	-68.3	-34.8	-178.9	-175.9	176.2	-130.7	0	0	112.7	T387 K483 K522 A523 S524	T387-E520 PolarHBondContact OG1-N 3.3Å; K483-E520 WeakPolarHBondContact CE-OE1 3.41Å; K483-E520 WeakPolarHBondContact CE-OE2 3.46Å; K483-E520 IonicContact NZ-OE1 2.61Å; K483-E520 IonicContact NZ-OE2 2.85Å; K483-E520 PolarHBondContact NZ-OE2 3.01Å; E520-K522 VanDerWaalsContact C-N 3.35Å; E520-K522 PolarHBondContact O-N 3.29Å; E520-A523 WeakPolarHBondContact O-CB 3.12Å; E520-A523 PolarHBondContact O-N 3.02Å; E520-S524 WeakPolarHBondContact O-CB 3.48Å; E520-S524 PolarHBondContact O-N 3.37Å; E520-S524 PolarHBondContact O-OG 3.43Å
521	Q	82.1	Confident	81.2	Confident	111 Å²	111	38.8 Å²	38.8	52%	0.519	18%	0.184	S	C	.	.	H	α-helix	trans	-61	-44.4	178	-68.8	174.5	-22.4	0	0	111.4	H380 N519 S524 Y525	H380-Q521 PolarHBondContact CD2-NE2 3.1Å; H380-Q521 PolarHBondContact NE2-NE2 2.94Å; N519-Q521 PolarHBondContact OD1-N 3.38Å; Q521-S524 PolarHBondContact O-N 3.04Å; Q521-Y525 WeakPolarHBondContact O-CB 3.42Å; Q521-Y525 PolarHBondContact O-N 2.93Å
522	K	81.2	Confident	79	Confident	99 Å²	99	43.3 Å²	43.3	43%	0.43	21%	0.208	S	C	.	.	H	α-helix	trans	-70.2	-36.6	176.6	-170.9	165	178.9	179.2	0	111.8	P518 N519 E520 S524 Y525 I526	P518-K522 HydrophobicContact CB-CD 4.2Å; P518-K522 HydrophobicContact CG-CD 3.84Å; N519-K522 WeakPolarHBondContact OD1-CB 3.39Å; N519-K522 PolarHBondContact OD1-N 2.93Å; E520-K522 VanDerWaalsContact C-N 3.35Å; E520-K522 PolarHBondContact O-N 3.29Å; K522-S524 VanDerWaalsContact C-N 3.29Å; K522-S524 PolarHBondContact O-N 2.53Å; K522-Y525 PolarHBondContact O-N 3.01Å; K522-I526 HydrophobicContact CG-CD1 3.77Å; K522-I526 HydrophobicContact CG-CG1 4.42Å; K522-I526 WeakPolarHBondContact O-CB 3.41Å; K522-I526 VanDerWaalsContact O-CG1 3.23Å; K522-I526 WeakPolarHBondContact O-CG1 3.3Å; K522-I526 PolarHBondContact O-N 3.47Å; K522-I526 VanDerWaalsContact O-N 3.1Å
523	A	83.5	Confident	76.7	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-57.7	-46.1	170.9	0	0	0	0	0	111	T387 R481 H517 N519 E520 I526 L527	T387-A523 HydrophobicContact CG2-CB 4.38Å; R481-A523 VanDerWaalsContact NH2-C 3.31Å; R481-A523 PolarHBondContact NH2-O 2.76Å; R481-A523 VanDerWaalsContact NH2-O 3.16Å; H517-A523 HydrophobicContact CB-CB 3.82Å; H517-A523 WeakPolarHBondContact CD2-CB 3.33Å; H517-A523 VanDerWaalsContact CG-CB 3.45Å; N519-A523 PolarHBondContact O-N 3.17Å; N519-A523 VanDerWaalsContact O-N 3.11Å; E520-A523 WeakPolarHBondContact O-CB 3.12Å; E520-A523 PolarHBondContact O-N 3.02Å; A523-I526 PolarHBondContact O-N 2.85Å; A523-L527 WeakPolarHBondContact O-CB 3.03Å; A523-L527 PolarHBondContact O-N 2.99Å
524	S	83.8	Confident	74.5	Confident	32 Å²	32	57.6 Å²	57.6	22%	0.224	28%	0.277	C	S	.	.	H	α-helix	trans	-66	-43.5	-179.6	-50.8	0	0	0	0	111.8	R481 E520 Q521 K522 I526 D528	R481-S524 PolarHBondContact NH1-OG 3.03Å; E520-S524 WeakPolarHBondContact O-CB 3.48Å; E520-S524 PolarHBondContact O-N 3.37Å; E520-S524 PolarHBondContact O-OG 3.43Å; Q521-S524 PolarHBondContact O-N 3.04Å; K522-S524 VanDerWaalsContact C-N 3.29Å; K522-S524 PolarHBondContact O-N 2.53Å; S524-I526 VanDerWaalsContact C-N 3.3Å; S524-I526 PolarHBondContact O-N 3.25Å; S524-D528 WeakPolarHBondContact CA-OD2 3.49Å; S524-D528 WeakPolarHBondContact CB-OD2 3.45Å; S524-D528 VanDerWaalsContact O-CB 3.3Å; S524-D528 WeakPolarHBondContact O-CB 3.44Å; S524-D528 PolarHBondContact O-N 3.14Å; S524-D528 VanDerWaalsContact O-N 3.09Å; S524-D528 PolarHBondContact OG-OD2 3.38Å
525	Y	78.3	Confident	72.1	Confident	169 Å²	169	60 Å²	60	66%	0.663	29%	0.29	S	S	*	.	H	α-helix	trans	-59.2	-39.9	176.4	179.5	-93.2	0	0	0	112.9	Q521 K522	Q521-Y525 WeakPolarHBondContact O-CB 3.42Å; Q521-Y525 PolarHBondContact O-N 2.93Å; K522-Y525 PolarHBondContact O-N 3.01Å
526	I	77.6	Confident	69.9	Low	51 Å²	51	67.6 Å²	67.6	26%	0.262	33%	0.329	S	S	.	.	H	α-helix	trans	-82.8	-42.3	-174.7	-64.9	170.4	0	0	0	112.2	K522 A523 S524	K522-I526 HydrophobicContact CG-CD1 3.77Å; K522-I526 HydrophobicContact CG-CG1 4.42Å; K522-I526 WeakPolarHBondContact O-CB 3.41Å; K522-I526 VanDerWaalsContact O-CG1 3.23Å; K522-I526 WeakPolarHBondContact O-CG1 3.3Å; K522-I526 PolarHBondContact O-N 3.47Å; K522-I526 VanDerWaalsContact O-N 3.1Å; A523-I526 PolarHBondContact O-N 2.85Å; S524-I526 VanDerWaalsContact C-N 3.3Å; S524-I526 PolarHBondContact O-N 3.25Å
527	L	81.5	Confident	67.9	Low	1 Å²	1	72.5 Å²	72.5	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-110.6	-28.5	-165.4	-63.5	179.4	0	0	0	114.5	T389 T474 I475 Y476 W515 H517 A523	T389-L527 HydrophobicContact CG2-CD1 3.82Å; T474-L527 CarbonylContact C-O 3.58Å; T474-L527 WeakPolarHBondContact CA-O 3.26Å; T474-L527 WeakPolarHBondContact CB-O 3.39Å; T474-L527 HydrophobicContact CG2-CB 4.07Å; I475-L527 PolarHBondContact N-O 2.66Å; Y476-L527 HydrophobicContact CD2-CD2 4.12Å; Y476-L527 HydrophobicContact CE2-CD2 3.69Å; W515-L527 HydrophobicContact CB-CD1 4.39Å; W515-L527 HydrophobicContact CD2-CD1 4.05Å; W515-L527 HydrophobicContact CD2-CD2 4.45Å; W515-L527 HydrophobicContact CE3-CD1 4.21Å; W515-L527 HydrophobicContact CG-CD1 4.14Å; W515-L527 HydrophobicContact CZ2-CD2 4.49Å; H517-L527 VanDerWaalsContact NE2-CD1 3.3Å; H517-L527 WeakPolarHBondContact NE2-CD1 3.29Å; A523-L527 WeakPolarHBondContact O-CB 3.03Å; A523-L527 PolarHBondContact O-N 2.99Å
528	D	82.4	Confident	65.7	Low	35 Å²	35	75 Å²	75	19%	0.187	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-72.7	142.2	-171.5	-69.2	-15.7	0	0	0	111.7	R481 S524 K530	R481-D528 IonicContact CZ-OD1 3.26Å; R481-D528 VanDerWaalsContact CZ-OD1 3.26Å; R481-D528 IonicContact CZ-OD2 2.94Å; R481-D528 IonicContact NH1-OD1 3.19Å; R481-D528 PolarHBondContact NH1-OD1 3.35Å; R481-D528 IonicContact NH1-OD2 3.54Å; R481-D528 PolarHBondContact NH1-OD2 3.43Å; R481-D528 VanDerWaalsContact NH2-CG 3.27Å; R481-D528 IonicContact NH2-OD1 2.76Å; R481-D528 PolarHBondContact NH2-OD1 2.85Å; R481-D528 IonicContact NH2-OD2 3.32Å; R481-D528 PolarHBondContact NH2-OD2 3.31Å; S524-D528 WeakPolarHBondContact CA-OD2 3.49Å; S524-D528 WeakPolarHBondContact CB-OD2 3.45Å; S524-D528 VanDerWaalsContact O-CB 3.3Å; S524-D528 WeakPolarHBondContact O-CB 3.44Å; S524-D528 PolarHBondContact O-N 3.14Å; S524-D528 VanDerWaalsContact O-N 3.09Å; S524-D528 PolarHBondContact OG-OD2 3.38Å; D528-K530 PolarHBondContact O-N 3.48Å
529	L	71	Confident	63.8	Low	25 Å²	25	82.1 Å²	82.1	13%	0.131	40%	0.397	C	S	.	.			trans	-72.4	79.8	170.9	-78.4	162.7	0	0	0	109.5	K440 L443 L473 T474 I475 V546	K440-L529 PolarHBondContact NZ-O 3.22Å; L443-L529 HydrophobicContact CD2-CD1 4.39Å; L473-L529 HydrophobicContact CD2-CD1 4.28Å; L473-L529 HydrophobicContact CG-CD1 4.06Å; L473-L529 PolarHBondContact O-N 2.84Å; T474-L529 WeakPolarHBondContact O-CD1 3.49Å; I475-L529 HydrophobicContact CG2-CD2 3.86Å; I475-L529 HydrophobicContact CG2-CG 4.21Å; L529-V546 HydrophobicContact CD1-CG2 3.89Å; L529-V546 HydrophobicContact CD2-CG1 4Å; L529-V546 HydrophobicContact CD2-CG2 3.96Å
530	K	63.2	Low	62.1	Low	66 Å²	66	82.7 Å²	82.7	29%	0.287	40%	0.401	S	S	.	.			trans	-59.5	148.2	176.3	-58.3	-172.6	173.8	-171.1	0	111.4	D528 D532	D528-K530 PolarHBondContact O-N 3.48Å; K530-D532 HydrophobicContact CB-CB 4.18Å
531	D	53.4	Low	60.4	Low	105 Å²	105	90 Å²	90	56%	0.561	44%	0.435	S	S	*	.			trans	-79.1	-8.8	168.9	-66.5	-35.7	0	0	0	112.3	K440 K538	K440-D531 IonicContact NZ-OD1 2.85Å; K440-D531 PolarHBondContact NZ-OD1 3.29Å; D531-K538 PolarHBondContact O-NZ 2.96Å
532	D	43.4	Very low	58.9	Low	95 Å²	95	89.8 Å²	89.8	51%	0.508	44%	0.437	S	S	.	.			trans	-59.7	135.3	-175.4	-76.3	-30.5	0	0	0	113.2	K530 D534	K530-D532 HydrophobicContact CB-CB 4.18Å; D532-D534 PolarHBondContact O-N 2.94Å; D532-D534 VanDerWaalsContact O-N 3.12Å
533	K	43.4	Very low	57.7	Low	176 Å²	176	90.2 Å²	90.2	77%	0.765	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-18	-177.6	-68.7	-179.5	176.9	177.7	0	114.2
534	D	41.9	Very low	56.8	Low	155 Å²	155	96 Å²	96	83%	0.829	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-2.1	-169.1	-60	-28.6	0	0	0	114.3	D532	D532-D534 PolarHBondContact O-N 2.94Å; D532-D534 VanDerWaalsContact O-N 3.12Å
535	N	41.1	Very low	55.9	Low	52 Å²	52	95.3 Å²	95.3	28%	0.278	47%	0.468	S	S	.	.			trans	-82.5	129.6	179.8	-94	-7.2	0	0	0	111.6	W537 K538	N535-W537 PolarHBondContact O-N 2.88Å; N535-K538 PolarHBondContact O-N 2.97Å
536	L	42.7	Very low	55.3	Low	160 Å²	160	87.6 Å²	87.6	84%	0.838	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.8	-18.6	177.7	-161.9	79.9	0	0	0	115
537	W	45.9	Very low	54.9	Low	104 Å²	104	87.8 Å²	87.8	39%	0.394	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-16.2	-174.3	-46.1	102.2	0	0	0	114	I475 N535 N539	I475-W537 HydrophobicContact CD1-CH2 4.48Å; I475-W537 HydrophobicContact CD1-CZ2 4.2Å; N535-W537 PolarHBondContact O-N 2.88Å; W537-N539 VanDerWaalsContact C-N 3.33Å; W537-N539 PolarHBondContact O-N 3.1Å; W537-N539 VanDerWaalsContact O-N 3.16Å
538	K	39.3	Very low	54.3	Low	58 Å²	58	87.8 Å²	87.8	25%	0.252	44%	0.44	S	S	.	.			trans	-85	71.3	171.1	-95.9	-173.4	173.7	175.1	0	110	D531 N535 E543	D531-K538 PolarHBondContact O-NZ 2.96Å; N535-K538 PolarHBondContact O-N 2.97Å; K538-E543 IonicContact NZ-OE1 3.01Å; K538-E543 PolarHBondContact NZ-OE1 2.76Å
539	N	40.2	Very low	53.5	Low	157 Å²	157	88 Å²	88	84%	0.84	44%	0.442	S	S	*	.			trans	-90.8	13.1	160.8	-136.6	5.7	0	0	0	112.5	W537	W537-N539 VanDerWaalsContact C-N 3.33Å; W537-N539 PolarHBondContact O-N 3.1Å; W537-N539 VanDerWaalsContact O-N 3.16Å
540	T	44	Very low	53	Low	31 Å²	31	87.6 Å²	87.6	19%	0.19	44%	0.44	C	S	.	.	S	Bend	trans	-129.7	130.2	-175.5	48.9	0	0	0	0	111	L437 N542	L437-T540 HydrophobicContact CD1-CG2 3.82Å; L437-T540 HydrophobicContact CD2-CG2 3.57Å; L437-T540 HydrophobicContact CG-CG2 4.17Å; T540-N542 PolarHBondContact O-N 3.15Å
541	Q	48	Very low	52.7	Low	208 Å²	208	84.9 Å²	84.9	97%	0.972	43%	0.429	S	S	*	.	S	Bend	trans	-59.9	4.7	-177.8	-65.7	-173.6	-16.5	0	0	114.9
542	N	51.8	Low	53	Low	106 Å²	106	82.1 Å²	82.1	57%	0.567	41%	0.413	S	S	*	.			trans	-113.4	103.9	180	-95.5	-27.7	0	0	0	109.8	T540 N544 A545	T540-N542 PolarHBondContact O-N 3.15Å; N542-N544 PolarHBondContact O-N 3.32Å; N542-A545 HydrophobicContact CB-CB 3.89Å; N542-A545 PolarHBondContact O-N 2.87Å
543	E	55.7	Low	53.3	Low	108 Å²	108	83.5 Å²	83.5	51%	0.505	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-20.1	176.9	-54	-163.4	123.4	0	0	113.6	K440 K538	K440-E543 WeakPolarHBondContact CE-O 3.41Å; K538-E543 IonicContact NZ-OE1 3.01Å; K538-E543 PolarHBondContact NZ-OE1 2.76Å
544	N	64.5	Low	53.4	Low	121 Å²	121	77 Å²	77	65%	0.647	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	1.7	-176.8	-63.6	-30.4	0	0	0	114.4	S439 K440 N542	S439-N544 CarbonylContact C-O 3.48Å; S439-N544 VanDerWaalsContact CA-O 3.22Å; S439-N544 WeakPolarHBondContact CA-O 3.42Å; K440-N544 PolarHBondContact N-O 3.19Å; N542-N544 PolarHBondContact O-N 3.32Å
545	A	64	Low	53.6	Low	18 Å²	18	77.4 Å²	77.4	15%	0.149	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	148	-177.5	0	0	0	0	0	112.3	L437 N542	L437-A545 HydrophobicContact CB-CB 4.24Å; L437-A545 HydrophobicContact CD2-CB 4.03Å; N542-A545 HydrophobicContact CB-CB 3.89Å; N542-A545 PolarHBondContact O-N 2.87Å
546	V	67	Low	53.8	Low	7 Å²	7	80.4 Å²	80.4	4%	0.042	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	135	177.4	-174.7	0	0	0	0	108	L437 I438 K440 L529 F548 L551	L437-V546 WeakPolarHBondContact CA-O 3.37Å; I438-V546 PolarHBondContact N-O 2.95Å; I438-V546 PolarHBondContact O-N 2.95Å; K440-V546 HydrophobicContact CG-CG2 3.74Å; L529-V546 HydrophobicContact CD1-CG2 3.89Å; L529-V546 HydrophobicContact CD2-CG1 4Å; L529-V546 HydrophobicContact CD2-CG2 3.96Å; V546-F548 PolarHBondContact O-N 2.85Å; V546-L551 HydrophobicContact CG1-CD2 3.83Å; V546-L551 HydrophobicContact CG1-CG 4.33Å
547	D	68.5	Low	54.2	Low	56 Å²	56	77.3 Å²	77.3	30%	0.299	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	117.7	172.6	-179.1	3	0	0	0	109.5	L437 N549 S550	L437-D547 HydrophobicContact CD2-CB 4.32Å; D547-N549 PolarHBondContact O-N 3.3Å; D547-N549 WeakPolarHBondContact OD1-CB 3.4Å; D547-N549 PolarHBondContact OD1-N 2.94Å; D547-N549 PolarHBondContact OD1-ND2 2.83Å; D547-S550 WeakPolarHBondContact O-CB 3.18Å; D547-S550 PolarHBondContact O-N 3.41Å; D547-S550 PolarHBondContact O-OG 2.95Å
548	F	68.5	Low	54.9	Low	1 Å²	1	76 Å²	76	0%	0.004	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-60.8	-32.1	-179.1	-170.8	-99.5	0	0	0	113.1	P395 I396 I414 G436 I438 V546 S550 L551	P395-F548 HydrophobicContact CG-CE2 4.19Å; P395-F548 HydrophobicContact CG-CZ 4.41Å; I396-F548 HydrophobicContact CD1-CD2 4.15Å; I396-F548 HydrophobicContact CD1-CE2 3.55Å; I396-F548 HydrophobicContact CD1-CZ 4.46Å; I396-F548 HydrophobicContact CG1-CE2 4.34Å; I414-F548 HydrophobicContact CB-CE1 4.36Å; I414-F548 HydrophobicContact CD1-CE2 4.42Å; I414-F548 HydrophobicContact CD1-CZ 4.48Å; I414-F548 HydrophobicContact CG1-CD1 4.36Å; I414-F548 HydrophobicContact CG1-CE1 4.21Å; I414-F548 HydrophobicContact CG1-CE2 4.45Å; I414-F548 HydrophobicContact CG1-CZ 4.23Å; I414-F548 HydrophobicContact CG2-CD1 4.44Å; I414-F548 HydrophobicContact CG2-CE1 3.58Å; I414-F548 HydrophobicContact CG2-CZ 3.62Å; G436-F548 WeakPolarHBondContact O-CB 3.3Å; G436-F548 PolarHBondContact O-N 2.86Å; I438-F548 HydrophobicContact CD1-CB 4.1Å; I438-F548 HydrophobicContact CD1-CD2 3.37Å; I438-F548 HydrophobicContact CD1-CE2 4.03Å; I438-F548 HydrophobicContact CD1-CG 3.96Å; I438-F548 HydrophobicContact CG1-CB 4.27Å; I438-F548 HydrophobicContact CG1-CD2 4.33Å; V546-F548 PolarHBondContact O-N 2.85Å; F548-S550 PolarHBondContact O-N 3.43Å; F548-L551 HydrophobicContact CD2-CD1 3.58Å; F548-L551 HydrophobicContact CE2-CD1 4.01Å; F548-L551 HydrophobicContact CG-CD1 4.42Å; F548-L551 WeakPolarHBondContact O-CB 3.34Å; F548-L551 PolarHBondContact O-N 3.49Å
549	N	65.5	Low	56	Low	40 Å²	40	77.2 Å²	77.2	21%	0.214	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-59.5	-32.9	176.4	-65.2	-43.4	0	0	0	111.4	I417 D547 L551 Q552 Q553	I417-N549 WeakPolarHBondContact CG2-OD1 3.47Å; D547-N549 PolarHBondContact O-N 3.3Å; D547-N549 WeakPolarHBondContact OD1-CB 3.4Å; D547-N549 PolarHBondContact OD1-N 2.94Å; D547-N549 PolarHBondContact OD1-ND2 2.83Å; N549-L551 VanDerWaalsContact C-N 3.31Å; N549-L551 PolarHBondContact O-N 3.2Å; N549-Q552 PolarHBondContact O-N 3.14Å; N549-Q553 VanDerWaalsContact O-CG 3.27Å; N549-Q553 WeakPolarHBondContact O-CG 3.34Å
550	S	60.3	Low	57.9	Low	15 Å²	15	70.9 Å²	70.9	11%	0.105	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-69.5	-28.7	178.8	77.3	0	0	0	0	113	D547 F548 Q552 Q553	D547-S550 WeakPolarHBondContact O-CB 3.18Å; D547-S550 PolarHBondContact O-N 3.41Å; D547-S550 PolarHBondContact O-OG 2.95Å; F548-S550 PolarHBondContact O-N 3.43Å; S550-Q552 PolarHBondContact O-N 2.82Å; S550-Q552 VanDerWaalsContact O-N 3.16Å; S550-Q553 PolarHBondContact O-N 3.3Å
551	L	58.6	Low	59.7	Low	10 Å²	10	70.2 Å²	70.2	5%	0.052	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-68.2	-14.3	-179.6	-56.6	174.1	0	0	0	112.9	L443 I475 V546 F548 N549	L443-L551 HydrophobicContact CD1-CD1 4.13Å; L443-L551 HydrophobicContact CD2-CD1 4.07Å; L443-L551 HydrophobicContact CD2-CD2 4.19Å; I475-L551 WeakPolarHBondContact O-CA 3.32Å; I475-L551 WeakPolarHBondContact O-CB 3.27Å; I475-L551 WeakPolarHBondContact O-CD2 3.32Å; V546-L551 HydrophobicContact CG1-CD2 3.83Å; V546-L551 HydrophobicContact CG1-CG 4.33Å; F548-L551 HydrophobicContact CD2-CD1 3.58Å; F548-L551 HydrophobicContact CE2-CD1 4.01Å; F548-L551 HydrophobicContact CG-CD1 4.42Å; F548-L551 WeakPolarHBondContact O-CB 3.34Å; F548-L551 PolarHBondContact O-N 3.49Å; N549-L551 VanDerWaalsContact C-N 3.31Å; N549-L551 PolarHBondContact O-N 3.2Å
552	Q	58	Low	61.4	Low	47 Å²	47	61.5 Å²	61.5	22%	0.22	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-110.5	-10.3	-177.5	-62.1	-166.3	-116.1	0	0	114.1	E421 N549 S550 S554	E421-Q552 PolarHBondContact OE2-NE2 3.39Å; E421-Q552 VanDerWaalsContact OE2-NE2 3.1Å; N549-Q552 PolarHBondContact O-N 3.14Å; S550-Q552 PolarHBondContact O-N 2.82Å; S550-Q552 VanDerWaalsContact O-N 3.16Å; Q552-S554 PolarHBondContact O-N 2.99Å
553	Q	50.7	Low	62.9	Low	123 Å²	123	59.1 Å²	59.1	58%	0.575	32%	0.323	S	S	*	.			trans	-96	17.6	-160	-87.1	-178	11	0	0	117.6	N549 S550 N555	N549-Q553 VanDerWaalsContact O-CG 3.27Å; N549-Q553 WeakPolarHBondContact O-CG 3.34Å; S550-Q553 PolarHBondContact O-N 3.3Å; Q553-N555 VanDerWaalsContact C-N 3.27Å; Q553-N555 PolarHBondContact O-N 3.47Å
554	S	45.8	Very low	64.4	Low	41 Å²	41	54 Å²	54	29%	0.287	30%	0.299	S	S	.	.			trans	-77.5	80.7	171.6	66.7	0	0	0	0	111.1	Y476 Q552 V556	Y476-S554 WeakPolarHBondContact OH-CB 3.33Å; Y476-S554 PolarHBondContact OH-OG 2.97Å; Q552-S554 PolarHBondContact O-N 2.99Å; S554-V556 PolarHBondContact O-N 2.95Å; S554-V556 VanDerWaalsContact O-N 3.08Å
555	N	45.1	Very low	65.3	Low	162 Å²	162	48.9 Å²	48.9	87%	0.866	27%	0.272	S	S	*	.			trans	-63.3	-5.5	166.1	-76.1	-20.6	0	0	0	112.6	Q553	Q553-N555 VanDerWaalsContact C-N 3.27Å; Q553-N555 PolarHBondContact O-N 3.47Å
556	V	46.9	Very low	66.2	Low	115 Å²	115	49.1 Å²	49.1	70%	0.697	27%	0.272	S	S	*	.	S	Bend	trans	-108.9	94.2	179.9	-172.2	0	0	0	0	108.7	S554 Q558	S554-V556 PolarHBondContact O-N 2.95Å; S554-V556 VanDerWaalsContact O-N 3.08Å; V556-Q558 PolarHBondContact O-N 3.19Å
557	I	50.2	Low	66.7	Low	95 Å²	95	54 Å²	54	49%	0.487	30%	0.295	S	S	.	.			trans	-62.1	121.3	169.3	-60.1	172.8	0	0	0	107.8	E561	I557-E561 HydrophobicContact CG2-CB 4.11Å; I557-E561 HydrophobicContact CG2-CG 4.4Å
558	Q	61.5	Low	67.2	Low	76 Å²	76	52.2 Å²	52.2	36%	0.355	28%	0.284	S	S	.	.			trans	-73.6	155.7	176.7	-62.9	-174.8	-0.3	0	0	110.9	V556 N560 E561	V556-Q558 PolarHBondContact O-N 3.19Å; Q558-N560 PolarHBondContact O-N 3.37Å; Q558-E561 HydrophobicContact CB-CB 4.26Å; Q558-E561 PolarHBondContact N-OE2 3.17Å; Q558-E561 WeakPolarHBondContact O-CB 3.41Å; Q558-E561 PolarHBondContact O-N 3.27Å
559	S	61.8	Low	67.9	Low	84 Å²	84	54.6 Å²	54.6	59%	0.587	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-18.9	-176.9	65.4	0	0	0	0	114.9
560	N	79	Confident	68.8	Low	24 Å²	24	52.8 Å²	52.8	13%	0.128	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115	18.9	-179.2	-68.4	0.5	0	0	0	112.6	W515 I516 Q558 A631 I633	W515-N560 VanDerWaalsContact CA-O 3.31Å; W515-N560 WeakPolarHBondContact CA-O 3.31Å; I516-N560 PolarHBondContact N-O 3.19Å; I516-N560 WeakPolarHBondContact O-CB 3.45Å; I516-N560 PolarHBondContact O-ND2 2.93Å; Q558-N560 PolarHBondContact O-N 3.37Å; N560-A631 PolarHBondContact ND2-O 3.42Å; N560-I633 WeakPolarHBondContact O-CD1 3.29Å
561	E	81.6	Confident	69.9	Low	17 Å²	17	54.5 Å²	54.5	8%	0.079	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	139.8	176.1	-178.5	177	175.6	0	0	110.6	H513 L514 W515 I557 Q558	H513-E561 IonicContact CE1-OE1 2.88Å; H513-E561 IonicContact ND1-OE1 3.65Å; H513-E561 PolarHBondContact ND1-OE1 2.86Å; L514-E561 WeakPolarHBondContact O-CA 3.46Å; W515-E561 HydrophobicContact CD2-CG 4.43Å; W515-E561 HydrophobicContact CG-CB 4.48Å; W515-E561 HydrophobicContact CZ2-CG 4.06Å; W515-E561 VanDerWaalsContact NE1-CD 3.35Å; W515-E561 VanDerWaalsContact NE1-CG 3.3Å; W515-E561 PolarHBondContact NE1-OE2 2.9Å; I557-E561 HydrophobicContact CG2-CB 4.11Å; I557-E561 HydrophobicContact CG2-CG 4.4Å; Q558-E561 HydrophobicContact CB-CB 4.26Å; Q558-E561 PolarHBondContact N-OE2 3.17Å; Q558-E561 WeakPolarHBondContact O-CB 3.41Å; Q558-E561 PolarHBondContact O-N 3.27Å
562	I	83.9	Confident	71.2	Confident	25 Å²	25	54 Å²	54	13%	0.128	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	143.4	169.8	-173.3	167.9	0	0	0	111.3	L514 T570 I572 I633 A636	L514-I562 HydrophobicContact CB-CG2 3.84Å; L514-I562 HydrophobicContact CD2-CG2 3.94Å; L514-I562 HydrophobicContact CG-CG2 4.35Å; L514-I562 PolarHBondContact N-O 3.35Å; L514-I562 PolarHBondContact O-N 3.08Å; I562-T570 HydrophobicContact CD1-CG2 4.48Å; I562-I572 HydrophobicContact CD1-CD1 4.3Å; I562-I572 HydrophobicContact CD1-CG1 4.23Å; I562-I572 HydrophobicContact CG2-CD1 3.79Å; I562-I633 HydrophobicContact CB-CD1 4.32Å; I562-I633 HydrophobicContact CG2-CD1 4.04Å; I562-A636 HydrophobicContact CD1-CB 3.14Å
563	T	83.7	Confident	72.4	Confident	57 Å²	57	56.1 Å²	56.1	35%	0.35	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	129.5	172.1	-53.9	0	0	0	0	110.1	L393 F512 H513	L393-T563 HydrophobicContact CD1-CG2 3.75Å; L393-T563 HydrophobicContact CD2-CG2 4.05Å; L393-T563 HydrophobicContact CG-CG2 4.25Å; F512-T563 WeakPolarHBondContact O-CA 3.25Å; H513-T563 PolarHBondContact ND1-OG1 2.79Å
564	V	86.9	Confident	73.9	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.1	177.4	-68.7	0	0	0	0	110.3	G511 F512 T570 I572 V1031 F1033	G511-V564 CarbonylContact C-O 3.53Å; G511-V564 VanDerWaalsContact CA-O 3.3Å; G511-V564 WeakPolarHBondContact CA-O 3.46Å; F512-V564 HydrophobicContact CB-CG2 3.94Å; F512-V564 PolarHBondContact N-O 3.37Å; F512-V564 WeakPolarHBondContact O-CG2 3.49Å; F512-V564 PolarHBondContact O-N 2.58Å; V564-T570 HydrophobicContact CG1-CG2 4.04Å; V564-I572 HydrophobicContact CG1-CD1 4.27Å; V564-V1031 HydrophobicContact CB-CG1 4.05Å; V564-V1031 HydrophobicContact CG2-CG1 3.79Å; V564-F1033 HydrophobicContact CB-CD1 4.46Å; V564-F1033 HydrophobicContact CG1-CB 4.24Å; V564-F1033 HydrophobicContact CG1-CG 4.42Å; V564-F1033 HydrophobicContact CG2-CD1 3.9Å; V564-F1033 HydrophobicContact CG2-CE1 4.17Å
565	S	83.8	Confident	75.4	Confident	13 Å²	13	48.6 Å²	48.6	9%	0.091	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	170.3	-172.6	76.8	0	0	0	0	114.2	I510 E567 K641	I510-S565 VanDerWaalsContact O-CA 3.31Å; I510-S565 WeakPolarHBondContact O-CA 3.42Å; I510-S565 WeakPolarHBondContact O-CB 3.44Å; S565-E567 PolarHBondContact O-N 3.39Å; S565-E567 PolarHBondContact OG-N 2.98Å; S565-K641 PolarHBondContact O-NZ 2.92Å
566	T	83.5	Confident	76.8	Confident	24 Å²	24	40.9 Å²	40.9	15%	0.147	22%	0.217	C	C	.	.	S	Bend	trans	-71	-8.3	174	52.8	0	0	0	0	113.7	S497 I510 K641 K1028 N1029 V1031	S497-T566 WeakPolarHBondContact OG-CG2 3.37Å; I510-T566 HydrophobicContact CB-CG2 4.36Å; I510-T566 HydrophobicContact CG2-CG2 3.74Å; I510-T566 PolarHBondContact O-N 3.12Å; T566-K641 VanDerWaalsContact CA-NZ 3.32Å; T566-K641 WeakPolarHBondContact O-CE 3.2Å; T566-K641 PolarHBondContact O-NZ 2.94Å; T566-K1028 WeakPolarHBondContact CB-O 3.31Å; T566-N1029 WeakPolarHBondContact CG2-O 3.22Å; T566-V1031 HydrophobicContact CG2-CG2 3.56Å
567	E	77.2	Confident	77.8	Confident	110 Å²	110	38.1 Å²	38.1	51%	0.514	20%	0.198	S	C	.	.	S	Bend	trans	-85.2	-33.1	-177	-60.2	-179.9	160.6	0	0	112.9	S565	S565-E567 PolarHBondContact O-N 3.39Å; S565-E567 PolarHBondContact OG-N 2.98Å
568	F	79.8	Confident	78.1	Confident	18 Å²	18	38.3 Å²	38.3	8%	0.079	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	146.4	-169.2	-55.1	-75.4	0	0	0	113.7	M343 F347 Q638 S639 K641	M343-F568 HydrophobicContact CE-CE1 3.37Å; M343-F568 HydrophobicContact CE-CZ 3.71Å; M343-F568 HydrophobicContact CG-CZ 4.14Å; M343-F568 HydrophobicContact SD-CE1 3.98Å; M343-F568 HydrophobicContact SD-CZ 4.2Å; F347-F568 HydrophobicContact CZ-CZ 4.21Å; F568-Q638 HydrophobicContact CB-CB 3.78Å; F568-Q638 HydrophobicContact CB-CG 3.89Å; F568-Q638 HydrophobicContact CD1-CB 4.06Å; F568-Q638 HydrophobicContact CG-CB 3.87Å; F568-Q638 HydrophobicContact CG-CG 4.19Å; F568-S639 WeakPolarHBondContact CA-O 3.32Å; F568-K641 WeakPolarHBondContact O-CE 3.41Å; F568-K641 PolarHBondContact O-NZ 3.48Å
569	Q	81.9	Confident	77.6	Confident	50 Å²	50	38.5 Å²	38.5	23%	0.234	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	121.6	159.4	179.7	166.4	-15.6	0	0	107.5	Q638 S639 K641 Y646 A1032	Q569-Q638 WeakPolarHBondContact O-CA 3.47Å; Q569-S639 PolarHBondContact N-O 2.68Å; Q569-S639 PolarHBondContact O-N 2.88Å; Q569-K641 HydrophobicContact CB-CG 4.11Å; Q569-Y646 PolarHBondContact OE1-OH 3.16Å; Q569-Y646 VanDerWaalsContact OE1-OH 3.07Å; Q569-A1032 WeakPolarHBondContact CA-O 3.23Å
570	T	84.4	Confident	76.5	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.012	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	125.3	-172.5	-50.3	0	0	0	0	111.1	I562 V564 I572 T637 Q638 A1032 F1033 T1034	I562-T570 HydrophobicContact CD1-CG2 4.48Å; V564-T570 HydrophobicContact CG1-CG2 4.04Å; T570-I572 HydrophobicContact CG2-CD1 4.4Å; T570-I572 HydrophobicContact CG2-CG1 3.9Å; T570-T637 CarbonylContact C-O 3.34Å; T570-T637 WeakPolarHBondContact CA-O 3.25Å; T570-Q638 HydrophobicContact CG2-CG 3.86Å; T570-A1032 PolarHBondContact N-O 3.3Å; T570-F1033 CarbonylContact O-C 3.54Å; T570-F1033 WeakPolarHBondContact O-CA 3.44Å; T570-F1033 VanDerWaalsContact O-CB 3.31Å; T570-F1033 WeakPolarHBondContact O-CB 3.14Å; T570-T1034 PolarHBondContact O-N 2.66Å
571	L	83.7	Confident	74.2	Confident	51 Å²	51	44.9 Å²	44.9	27%	0.267	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.5	168.7	-179.8	67.3	0	0	0	109.2	A636 T637 T1034 Q1036	L571-A636 CarbonylContact O-C 3.59Å; L571-A636 VanDerWaalsContact O-CA 3.3Å; L571-A636 WeakPolarHBondContact O-CA 3.46Å; L571-T637 PolarHBondContact N-O 3.3Å; L571-T637 PolarHBondContact O-N 2.83Å; L571-T1034 CarbonylContact C-O 3.47Å; L571-T1034 WeakPolarHBondContact CA-O 3.27Å; L571-T1034 HydrophobicContact CD1-CG2 3.72Å; L571-Q1036 HydrophobicContact CD1-CG 3.94Å
572	I	86.7	Confident	71.8	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	122.9	-177	-55.5	168.9	0	0	0	107.5	L514 I562 V564 T570 V574 I633 A636 F1033 T1034 V1035 Q1036	L514-I572 HydrophobicContact CD2-CD1 3.41Å; L514-I572 VanDerWaalsContact CD2-CD1 3.41Å; I562-I572 HydrophobicContact CD1-CD1 4.3Å; I562-I572 HydrophobicContact CD1-CG1 4.23Å; I562-I572 HydrophobicContact CG2-CD1 3.79Å; V564-I572 HydrophobicContact CG1-CD1 4.27Å; T570-I572 HydrophobicContact CG2-CD1 4.4Å; T570-I572 HydrophobicContact CG2-CG1 3.9Å; I572-V574 HydrophobicContact CG2-CG2 4.09Å; I572-I633 HydrophobicContact CG2-CG1 4.43Å; I572-I633 HydrophobicContact CG2-CG2 3.95Å; I572-A636 HydrophobicContact CG1-CB 4.41Å; I572-F1033 HydrophobicContact CD1-CD2 4.38Å; I572-T1034 PolarHBondContact N-O 3.19Å; I572-V1035 HydrophobicContact CB-CG1 4.4Å; I572-V1035 HydrophobicContact CB-CG2 4.46Å; I572-V1035 HydrophobicContact CD1-CG2 4.33Å; I572-V1035 HydrophobicContact CG2-CG1 4.46Å; I572-V1035 CarbonylContact O-C 3.57Å; I572-V1035 WeakPolarHBondContact O-CA 3.34Å; I572-Q1036 PolarHBondContact O-N 3.31Å
573	R	82.2	Confident	69.2	Low	91 Å²	91	58.5 Å²	58.5	34%	0.343	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	131.6	174	-64.7	-168.9	178.5	-179.8	1.6	110.5	V634 S635	R573-V634 PolarHBondContact O-N 3.32Å; R573-S635 PolarHBondContact N-O 3.39Å; R573-S635 PolarHBondContact O-N 3.08Å
574	V	83.4	Confident	66.6	Low	2 Å²	2	63.4 Å²	63.4	1%	0.012	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	121.3	-173.5	-174.7	0	0	0	0	107.9	I516 I572 L576 A631 R632 V1035 Q1036 F1037 E1038	I516-V574 HydrophobicContact CD1-CB 4.29Å; I516-V574 HydrophobicContact CD1-CG1 4.08Å; I516-V574 HydrophobicContact CD1-CG2 3.24Å; I516-V574 HydrophobicContact CG2-CG1 4.21Å; I572-V574 HydrophobicContact CG2-CG2 4.09Å; V574-L576 HydrophobicContact CG1-CD2 4.23Å; V574-A631 HydrophobicContact CG1-CB 4.21Å; V574-R632 CarbonylContact C-O 3.58Å; V574-R632 WeakPolarHBondContact CA-O 3.2Å; V574-V1035 HydrophobicContact CG2-CG1 3.43Å; V574-V1035 VanDerWaalsContact CG2-CG1 3.43Å; V574-Q1036 PolarHBondContact N-O 2.99Å; V574-F1037 HydrophobicContact CB-CD1 3.71Å; V574-F1037 HydrophobicContact CB-CE1 3.95Å; V574-F1037 HydrophobicContact CG1-CD1 3.88Å; V574-F1037 HydrophobicContact CG1-CE1 4.03Å; V574-F1037 HydrophobicContact CG2-CD1 4.24Å; V574-F1037 HydrophobicContact CG2-CE1 4Å; V574-F1037 WeakPolarHBondContact O-CA 3.28Å; V574-E1038 PolarHBondContact O-N 3.29Å
575	A	77.2	Confident	63.9	Low	5 Å²	5	68 Å²	68	4%	0.041	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	129.6	169.5	0	0	0	0	0	109.1	A631 R632 V634 E1038 I1040	A575-A631 WeakPolarHBondContact O-CA 3.43Å; A575-R632 HydrophobicContact CB-CG 3.83Å; A575-R632 PolarHBondContact N-O 3.49Å; A575-R632 PolarHBondContact O-N 3.05Å; A575-V634 HydrophobicContact CB-CG2 3.34Å; A575-E1038 WeakPolarHBondContact CA-O 3.27Å; A575-I1040 HydrophobicContact CB-CD1 3.58Å; A575-I1040 HydrophobicContact CB-CG1 3.94Å
576	L	73.4	Confident	61.1	Low	0 Å²	0	73.4 Å²	73.4	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	109.5	168.7	-59.4	-179.7	0	0	0	107.7	F386 V574 W629 A631 F1037 E1038 I1039 I1040	F386-L576 HydrophobicContact CD1-CD1 4.18Å; F386-L576 HydrophobicContact CD1-CD2 4.32Å; F386-L576 HydrophobicContact CE1-CD1 3.83Å; F386-L576 HydrophobicContact CG-CD2 4.46Å; F386-L576 HydrophobicContact CZ-CD1 4.41Å; V574-L576 HydrophobicContact CG1-CD2 4.23Å; L576-W629 HydrophobicContact CB-CE3 3.95Å; L576-W629 HydrophobicContact CB-CZ3 4.15Å; L576-A631 HydrophobicContact CD2-CB 3.55Å; L576-F1037 HydrophobicContact CD1-CB 3.97Å; L576-F1037 HydrophobicContact CD1-CD1 4.25Å; L576-F1037 HydrophobicContact CD1-CG 4.42Å; L576-F1037 HydrophobicContact CD2-CD1 4.25Å; L576-F1037 HydrophobicContact CG-CB 4.37Å; L576-F1037 HydrophobicContact CG-CD1 4.32Å; L576-E1038 PolarHBondContact N-O 3.32Å; L576-I1039 HydrophobicContact CB-CG1 4.44Å; L576-I1039 WeakPolarHBondContact O-CA 3.39Å; L576-I1040 PolarHBondContact O-N 2.7Å; L576-I1040 VanDerWaalsContact O-N 3.08Å
577	D	68.3	Low	58.5	Low	56 Å²	56	78.6 Å²	78.6	30%	0.299	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	135.6	170.9	-166.8	-5	0	0	0	108.3	N579 N630	D577-N579 PolarHBondContact O-N 3.39Å; D577-N630 HydrophobicContact CB-CB 4.36Å; D577-N630 PolarHBondContact N-O 2.85Å; D577-N630 PolarHBondContact O-N 3.14Å
578	M	57.2	Low	56.6	Low	100 Å²	100	82.6 Å²	82.6	49%	0.493	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	118.3	166.3	-69.8	-167.7	-59.1	0	0	105.9	V580 W629	M578-V580 HydrophobicContact CB-CG2 3.79Å; M578-V580 HydrophobicContact CE-CG2 4.34Å; M578-V580 PolarHBondContact O-N 3.01Å; M578-W629 HydrophobicContact CB-CZ3 4.38Å; M578-W629 HydrophobicContact CG-CD2 4.13Å; M578-W629 HydrophobicContact CG-CE3 3.61Å; M578-W629 HydrophobicContact CG-CH2 3.3Å; M578-W629 HydrophobicContact CG-CZ2 3.81Å; M578-W629 HydrophobicContact CG-CZ3 3.19Å; M578-W629 HydrophobicContact SD-CH2 3.65Å; M578-W629 HydrophobicContact SD-CZ2 3.89Å; M578-W629 HydrophobicContact SD-CZ3 4.19Å
579	N	50.2	Low	54.4	Low	80 Å²	80	87.7 Å²	87.7	43%	0.428	42%	0.424	S	S	.	.			trans	-66.1	80	165.4	-85.7	-9.5	0	0	0	107.9	D577 H581 V628	D577-N579 PolarHBondContact O-N 3.39Å; N579-H581 PolarHBondContact O-N 3.5Å; N579-V628 PolarHBondContact N-O 3.07Å
580	V	38.2	Very low	52.1	Low	82 Å²	82	95.8 Å²	95.8	50%	0.497	45%	0.453	S	S	.	.			trans	-75.6	77.8	168.8	-175.9	0	0	0	0	105	M578 Y582 K583	M578-V580 HydrophobicContact CB-CG2 3.79Å; M578-V580 HydrophobicContact CE-CG2 4.34Å; M578-V580 PolarHBondContact O-N 3.01Å; V580-Y582 HydrophobicContact CG1-CG 4.47Å; V580-Y582 PolarHBondContact O-N 3.5Å; V580-K583 PolarHBondContact O-N 2.73Å
581	H	31.4	Very low	49.4	Very low	159 Å²	159	100.4 Å²	100.4	74%	0.736	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-59.1	0.3	165.1	-124.3	-71.1	0	0	0	111.9	N579 K583	N579-H581 PolarHBondContact O-N 3.5Å; H581-K583 VanDerWaalsContact C-N 3.26Å; H581-K583 PolarHBondContact O-N 2.89Å
582	Y	31.1	Very low	47.1	Very low	145 Å²	145	100.8 Å²	100.8	57%	0.569	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-67.7	-9.2	170.3	-134	-89.4	0	0	0	115.5	V580 Q584	V580-Y582 HydrophobicContact CG1-CG 4.47Å; V580-Y582 PolarHBondContact O-N 3.5Å; Y582-Q584 PolarHBondContact O-N 3.34Å
583	K	28.6	Very low	44.2	Very low	184 Å²	184	105.7 Å²	105.7	80%	0.8	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-75.7	-1	-177.5	-129.4	179.7	-173.4	176.8	0	115	V580 H581	V580-K583 PolarHBondContact O-N 2.73Å; H581-K583 VanDerWaalsContact C-N 3.26Å; H581-K583 PolarHBondContact O-N 2.89Å
584	Q	30.5	Very low	41.8	Very low	159 Å²	159	106 Å²	106	74%	0.743	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-114.5	-4.4	-176.6	-152	155.8	4.4	0	0	117.1	Y582	Y582-Q584 PolarHBondContact O-N 3.34Å
585	T	29.1	Very low	39.6	Very low	98 Å²	98	112 Å²	112	60%	0.601	57%	0.572	S	S	*	*	S	Bend	trans	-108.2	-3.8	-179.4	46.9	0	0	0	0	116.1
586	N	25.5	Very low	37.5	Very low	125 Å²	125	118.2 Å²	118.2	67%	0.668	61%	0.609	S	S	*	*			trans	-94.9	18.3	172.6	-89.3	-10.9	0	0	0	115	K588	N586-K588 PolarHBondContact O-N 3.39Å; N586-K588 VanDerWaalsContact O-N 3.09Å
587	M	28.8	Very low	35.5	Very low	133 Å²	133	120.1 Å²	120.1	66%	0.655	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	22.8	165.9	-83.4	-154.9	173.9	0	0	113.8	N589	M587-N589 PolarHBondContact O-N 3.32Å
588	K	36.7	Very low	33.7	Very low	194 Å²	194	125 Å²	125	84%	0.843	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-17.5	164.3	-105.9	-176	179	178.9	0	113.1	N586	N586-K588 PolarHBondContact O-N 3.39Å; N586-K588 VanDerWaalsContact O-N 3.09Å
589	N	33.8	Very low	32.4	Very low	125 Å²	125	128.7 Å²	128.7	67%	0.668	66%	0.661	S	S	*	*	S	Bend	trans	-115	109.7	169.1	-69.6	-9.1	0	0	0	108.5	M587 L591	M587-N589 PolarHBondContact O-N 3.32Å; N589-L591 PolarHBondContact O-N 3.36Å
590	R	33.9	Very low	31.5	Very low	220 Å²	220	133.9 Å²	133.9	83%	0.83	68%	0.683	S	S	*	*			trans	-59.2	66.7	-177.4	-66.8	176.3	178.9	171.2	-1.9	113.6
591	L	28.5	Very low	31.4	Very low	100 Å²	100	133.6 Å²	133.6	52%	0.524	68%	0.684	S	S	.	*			trans	-126.6	102.2	174.2	-84.1	138.9	0	0	0	108.5	N589 F598	N589-L591 PolarHBondContact O-N 3.36Å; L591-F598 HydrophobicContact CD2-CB 4.36Å; L591-F598 HydrophobicContact CD2-CD1 3.89Å
592	C	33.8	Very low	31.5	Very low	59 Å²	59	134.8 Å²	134.8	40%	0.399	69%	0.69	S	S	.	*			trans	-83.8	120.5	174.5	-68.7	0	0	0	0	109.8
593	S	26.7	Very low	31.6	Very low	102 Å²	102	135.7 Å²	135.7	71%	0.713	70%	0.699	S	S	*	*			trans	-78.4	120.1	175.9	-59.7	0	0	0	0	111.5
594	T	31	Very low	31.8	Very low	98 Å²	98	134.4 Å²	134.4	60%	0.601	70%	0.701	S	S	*	*			trans	-108.3	152.4	155.4	53.3	0	0	0	0	108.9	T596 G597	T594-T596 PolarHBondContact O-N 3.29Å; T594-G597 PolarHBondContact O-N 3.28Å
595	S	37.4	Very low	31.9	Very low	128 Å²	128	130.7 Å²	130.7	90%	0.895	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	3.2	-164.4	63.5	0	0	0	0	115.9
596	T	34	Very low	32.1	Very low	135 Å²	135	133.8 Å²	133.8	83%	0.828	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.8	18	-176.2	52.2	0	0	0	0	114.8	T594	T594-T596 PolarHBondContact O-N 3.29Å
597	G	30.5	Very low	32.3	Very low	40 Å²	40	135.9 Å²	135.9	41%	0.412	72%	0.716	S	S	.	*			trans	126.4	158.5	167.1	0	0	0	0	0	114.9	T594 K599	T594-G597 PolarHBondContact O-N 3.28Å; G597-K599 PolarHBondContact O-N 3.13Å
598	F	30.6	Very low	32.2	Very low	159 Å²	159	136.8 Å²	136.8	70%	0.697	72%	0.723	S	S	*	*			trans	-71.6	120.7	-174.2	-58.1	-86.5	0	0	0	111.4	L591	L591-F598 HydrophobicContact CD2-CB 4.36Å; L591-F598 HydrophobicContact CD2-CD1 3.89Å
599	K	30.2	Very low	31.9	Very low	178 Å²	178	133.2 Å²	133.2	77%	0.774	72%	0.723	S	S	*	*			trans	-127.9	138.8	163.9	-82.3	-170	174.2	-173.7	0	110	G597	G597-K599 PolarHBondContact O-N 3.13Å
600	E	31.9	Very low	32	Very low	188 Å²	188	133 Å²	133	88%	0.879	73%	0.728	S	S	*	*			trans	-58.4	132	173.2	-77.3	178.2	142	0	0	110.3	E602	E600-E602 PolarHBondContact O-N 3.4Å
601	C	34.9	Very low	31.7	Very low	77 Å²	77	128.9 Å²	128.9	52%	0.52	73%	0.728	S	S	.	*			trans	-74.5	111.6	179.6	-58.8	0	0	0	0	109.7	Q603	C601-Q603 PolarHBondContact O-N 3.45Å
602	E	33.6	Very low	31.7	Very low	184 Å²	184	131.2 Å²	131.2	86%	0.86	74%	0.741	S	S	*	*			trans	-59.8	124.2	173.3	-83.3	179.4	155.2	0	0	110.9	E600 N604	E600-E602 PolarHBondContact O-N 3.4Å; E602-N604 PolarHBondContact O-N 2.94Å; E602-N604 VanDerWaalsContact O-N 3.11Å
603	Q	33.3	Very low	31.4	Very low	163 Å²	163	136.4 Å²	136.4	76%	0.762	76%	0.764	S	S	*	*			trans	-70.9	94.7	176.8	-71.3	175.3	-18.5	0	0	110	C601 A605	C601-Q603 PolarHBondContact O-N 3.45Å; Q603-A605 PolarHBondContact O-N 3.42Å
604	N	33.9	Very low	31.5	Very low	158 Å²	158	136.9 Å²	136.9	85%	0.845	77%	0.767	S	S	*	*			trans	-79.4	75.5	159.5	-75.9	-22	0	0	0	109	E602 N606	E602-N604 PolarHBondContact O-N 2.94Å; E602-N604 VanDerWaalsContact O-N 3.11Å; N604-N606 PolarHBondContact O-N 3.04Å
605	A	31.1	Very low	31.5	Very low	80 Å²	80	140.2 Å²	140.2	66%	0.661	78%	0.776	S	S	*	*			trans	-70.1	99.9	158.8	0	0	0	0	0	107.7	Q603	Q603-A605 PolarHBondContact O-N 3.42Å
606	N	33.2	Very low	30.9	Very low	164 Å²	164	140.9 Å²	140.9	88%	0.877	77%	0.769	S	S	*	*			trans	-131.9	115.8	154.9	-93.5	-25.4	0	0	0	108.7	N604	N604-N606 PolarHBondContact O-N 3.04Å
607	Q	29.7	Very low	30.6	Very low	168 Å²	168	140.7 Å²	140.7	79%	0.785	77%	0.768	S	S	*	*			trans	-68.6	163.9	-172.9	-65.7	162.6	-32.8	0	0	112.4
608	N	28.3	Very low	30.4	Very low	152 Å²	152	145.1 Å²	145.1	81%	0.813	78%	0.781	S	S	*	*			trans	93.4	85	155	-53.1	-26.4	0	0	0	117.8
609	S	29.7	Very low	30.2	Very low	119 Å²	119	142.6 Å²	142.6	83%	0.832	78%	0.783	S	S	*	*	S	Bend	trans	-162.2	153.9	131.5	52.3	0	0	0	0	109.9
610	P	34.9	Very low	30.1	Very low	121 Å²	121	142.3 Å²	142.3	79%	0.786	78%	0.782	S	S	*	*				-91	146.1	-127.4	32.7	-35.2	0	0	0	115.7	D612	P610-D612 PolarHBondContact O-N 3.05Å
611	T	29	Very low	29.9	Very low	134 Å²	134	137.5 Å²	137.5	82%	0.822	77%	0.769	S	S	*	*			trans	-44.5	114.9	159.1	1.8	0	0	0	0	112
612	D	28.8	Very low	29.8	Very low	149 Å²	149	140.8 Å²	140.8	80%	0.797	78%	0.782	S	S	*	*			trans	160.5	69	137.6	-84.3	-10.7	0	0	0	109.8	P610	P610-D612 PolarHBondContact O-N 3.05Å
613	L	27.7	Very low	29.7	Very low	167 Å²	167	140.6 Å²	140.6	87%	0.874	78%	0.778	S	S	*	*			trans	-135.4	91.9	148.5	-95.6	115.5	0	0	0	106	E615	L613-E615 PolarHBondContact O-N 2.96Å
614	S	27.4	Very low	29.8	Very low	112 Å²	112	141.5 Å²	141.5	78%	0.783	78%	0.776	S	S	*	*			trans	-57.8	92.9	164	173.5	0	0	0	0	107.5	D616	S614-D616 PolarHBondContact O-N 2.93Å
615	E	30.6	Very low	29.8	Very low	168 Å²	168	139.6 Å²	139.6	79%	0.785	77%	0.766	S	S	*	*			trans	-62.7	102.9	171.6	-73.9	-178.4	156.5	0	0	108.3	L613 T617	L613-E615 PolarHBondContact O-N 2.96Å; E615-T617 VanDerWaalsContact C-N 3.32Å; E615-T617 PolarHBondContact O-N 3.1Å; E615-T617 PolarHBondContact O-OG1 3.03Å
616	D	26.5	Very low	30.3	Very low	143 Å²	143	139.7 Å²	139.7	77%	0.765	75%	0.752	S	S	*	*			trans	-50.4	101.3	163.1	-80	-34.1	0	0	0	108.2	S614 I618	S614-D616 PolarHBondContact O-N 2.93Å; D616-I618 VanDerWaalsContact C-N 3.31Å; D616-I618 PolarHBondContact O-N 2.85Å
617	T	27.3	Very low	31.1	Very low	130 Å²	130	137.6 Å²	137.6	80%	0.798	74%	0.741	S	S	*	*			trans	-68.9	92.5	-179.8	-49.5	0	0	0	0	106.6	E615 S619	E615-T617 VanDerWaalsContact C-N 3.32Å; E615-T617 PolarHBondContact O-N 3.1Å; E615-T617 PolarHBondContact O-OG1 3.03Å; T617-S619 PolarHBondContact O-N 2.66Å
618	I	26.6	Very low	32.5	Very low	133 Å²	133	131.9 Å²	131.9	68%	0.682	72%	0.718	S	S	*	*			trans	-61.7	93.4	167.7	-61	174.6	0	0	0	106.1	D616 F620	D616-I618 VanDerWaalsContact C-N 3.31Å; D616-I618 PolarHBondContact O-N 2.85Å; I618-F620 VanDerWaalsContact C-N 3.29Å; I618-F620 HydrophobicContact CG2-CD2 4.25Å; I618-F620 HydrophobicContact CG2-CE2 4.03Å; I618-F620 HydrophobicContact CG2-CZ 4.4Å; I618-F620 WeakPolarHBondContact O-CD2 3.5Å; I618-F620 PolarHBondContact O-N 3.17Å
619	S	25.2	Very low	34.2	Very low	107 Å²	107	126.1 Å²	126.1	75%	0.748	68%	0.684	S	S	*	*			trans	-63.8	92.1	171.7	-179.6	0	0	0	0	107.6	T617 S621	T617-S619 PolarHBondContact O-N 2.66Å; S619-S621 PolarHBondContact O-N 3.47Å; S619-S621 VanDerWaalsContact O-N 3.11Å
620	F	28.1	Very low	36.1	Very low	172 Å²	172	122.8 Å²	122.8	75%	0.754	66%	0.657	S	S	*	*			trans	-61.8	110.3	164.2	-78.5	-85.3	0	0	0	107	I618 D622	I618-F620 VanDerWaalsContact C-N 3.29Å; I618-F620 HydrophobicContact CG2-CD2 4.25Å; I618-F620 HydrophobicContact CG2-CE2 4.03Å; I618-F620 HydrophobicContact CG2-CZ 4.4Å; I618-F620 WeakPolarHBondContact O-CD2 3.5Å; I618-F620 PolarHBondContact O-N 3.17Å; F620-D622 PolarHBondContact O-N 3.33Å; F620-D622 VanDerWaalsContact O-N 3.16Å
621	S	29.2	Very low	38.1	Very low	87 Å²	87	117 Å²	117	61%	0.608	62%	0.62	S	S	*	*			trans	-60.2	119.3	-178.1	70.3	0	0	0	0	110.3	S619 K623	S619-S621 PolarHBondContact O-N 3.47Å; S619-S621 VanDerWaalsContact O-N 3.11Å; S621-K623 PolarHBondContact O-N 3.5Å
622	D	30.8	Very low	40.4	Very low	145 Å²	145	114.7 Å²	114.7	78%	0.775	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	20.3	177.6	-76.8	-43.6	0	0	0	115.3	F620	F620-D622 PolarHBondContact O-N 3.33Å; F620-D622 VanDerWaalsContact O-N 3.16Å
623	K	32.6	Very low	42.7	Very low	180 Å²	180	109.2 Å²	109.2	78%	0.783	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	2.5	-169.7	-105.3	-174.5	177	-173.1	0	116.9	S621	S621-K623 PolarHBondContact O-N 3.5Å
624	Y	35.8	Very low	45.1	Very low	182 Å²	182	103.8 Å²	103.8	71%	0.714	54%	0.54	S	S	*	.			trans	-132.4	58.6	178.4	-58.8	-78	0	0	0	112.8	H626	Y624-H626 VanDerWaalsContact C-N 3.3Å; Y624-H626 PolarHBondContact O-N 2.94Å
625	N	33.4	Very low	47.4	Very low	119 Å²	119	99.9 Å²	99.9	64%	0.636	51%	0.513	S	S	*	.			trans	-72.7	83.1	166.7	-91.2	-27.2	0	0	0	109.8
626	H	41.8	Very low	49.7	Very low	82 Å²	82	93.8 Å²	93.8	38%	0.38	49%	0.491	S	S	.	.			trans	-104.5	123.2	172.9	-65.3	-17.6	0	0	0	109.6	I382 Y624 V628	I382-H626 HydrophobicContact CD1-CB 4.45Å; I382-H626 WeakPolarHBondContact CD1-CE1 3.44Å; I382-H626 WeakPolarHBondContact CD1-ND1 3.4Å; I382-H626 HydrophobicContact CG1-CB 4.37Å; I382-H626 VanDerWaalsContact CG1-CE1 3.48Å; I382-H626 WeakPolarHBondContact CG1-CE1 3.36Å; I382-H626 VanDerWaalsContact CG1-ND1 3.29Å; I382-H626 WeakPolarHBondContact CG1-ND1 3.38Å; I382-H626 HydrophobicContact CG2-CB 3.86Å; Y624-H626 VanDerWaalsContact C-N 3.3Å; Y624-H626 PolarHBondContact O-N 2.94Å; H626-V628 HydrophobicContact CB-CG2 4.32Å; H626-V628 PolarHBondContact O-N 3.36Å
627	N	50.4	Low	52.1	Low	119 Å²	119	88.8 Å²	88.8	64%	0.636	47%	0.466	S	S	*	.			trans	-66.8	94.6	173.5	-70.7	-22.6	0	0	0	108.8
628	V	57.7	Low	54.5	Low	49 Å²	49	84.5 Å²	84.5	30%	0.297	44%	0.437	S	S	.	.			trans	-100.8	125.7	176.4	-179.2	0	0	0	0	109.1	P518 N579 H626	P518-V628 HydrophobicContact CB-CG1 3.69Å; N579-V628 PolarHBondContact N-O 3.07Å; H626-V628 HydrophobicContact CB-CG2 4.32Å; H626-V628 PolarHBondContact O-N 3.36Å
629	W	63.8	Low	56.9	Low	30 Å²	30	80 Å²	80	11%	0.114	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	127.6	171.3	-71.6	96.2	0	0	0	110.1	P486 P518 L576 M578 A631 I1039	P486-W629 HydrophobicContact CB-CD2 4.42Å; P486-W629 HydrophobicContact CB-CH2 4.05Å; P486-W629 HydrophobicContact CB-CZ2 3.54Å; P486-W629 HydrophobicContact CG-CD2 4.26Å; P486-W629 VanDerWaalsContact CG-CE2 3.41Å; P486-W629 HydrophobicContact CG-CZ2 3.62Å; P518-W629 WeakPolarHBondContact CA-O 3.3Å; P518-W629 WeakPolarHBondContact CB-O 3.34Å; L576-W629 HydrophobicContact CB-CE3 3.95Å; L576-W629 HydrophobicContact CB-CZ3 4.15Å; M578-W629 HydrophobicContact CB-CZ3 4.38Å; M578-W629 HydrophobicContact CG-CD2 4.13Å; M578-W629 HydrophobicContact CG-CE3 3.61Å; M578-W629 HydrophobicContact CG-CH2 3.3Å; M578-W629 HydrophobicContact CG-CZ2 3.81Å; M578-W629 HydrophobicContact CG-CZ3 3.19Å; M578-W629 HydrophobicContact SD-CH2 3.65Å; M578-W629 HydrophobicContact SD-CZ2 3.89Å; M578-W629 HydrophobicContact SD-CZ3 4.19Å; W629-A631 PolarHBondContact O-N 2.75Å; W629-I1039 HydrophobicContact CH2-CG2 4.5Å; W629-I1039 HydrophobicContact CZ3-CG2 4.28Å
630	N	70.8	Confident	59.1	Low	50 Å²	50	78.5 Å²	78.5	27%	0.267	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	100.6	167.4	-165.7	9.5	0	0	0	108.5	D577	D577-N630 HydrophobicContact CB-CB 4.36Å; D577-N630 PolarHBondContact N-O 2.85Å; D577-N630 PolarHBondContact O-N 3.14Å
631	A	76.6	Confident	61.3	Low	0 Å²	0	71.8 Å²	71.8	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	127.7	173.2	0	0	0	0	0	109.3	I516 N560 V574 A575 L576 W629	I516-A631 HydrophobicContact CG2-CB 3.64Å; N560-A631 PolarHBondContact ND2-O 3.42Å; V574-A631 HydrophobicContact CG1-CB 4.21Å; A575-A631 WeakPolarHBondContact O-CA 3.43Å; L576-A631 HydrophobicContact CD2-CB 3.55Å; W629-A631 PolarHBondContact O-N 2.75Å
632	R	76.6	Confident	63.4	Low	84 Å²	84	69.8 Å²	69.8	32%	0.317	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	136.4	176.1	67.8	-175.7	-175.5	-163.2	1	110.9	V574 A575 V634 M1046	V574-R632 CarbonylContact C-O 3.58Å; V574-R632 WeakPolarHBondContact CA-O 3.2Å; A575-R632 HydrophobicContact CB-CG 3.83Å; A575-R632 PolarHBondContact N-O 3.49Å; A575-R632 PolarHBondContact O-N 3.05Å; R632-V634 HydrophobicContact CG-CG2 4.4Å; R632-V634 PolarHBondContact O-N 3.23Å; R632-M1046 PolarHBondContact NH2-SD 3.01Å; R632-M1046 VanDerWaalsContact NH2-SD 3.38Å
633	I	78.4	Confident	65.4	Low	35 Å²	35	67.2 Å²	67.2	18%	0.179	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	120	171.9	-60.2	177.8	0	0	0	107.5	I516 N560 I562 I572	I516-I633 HydrophobicContact CD1-CD1 4.42Å; I516-I633 HydrophobicContact CD1-CG1 4.08Å; I516-I633 HydrophobicContact CG1-CG1 4.5Å; N560-I633 WeakPolarHBondContact O-CD1 3.29Å; I562-I633 HydrophobicContact CB-CD1 4.32Å; I562-I633 HydrophobicContact CG2-CD1 4.04Å; I572-I633 HydrophobicContact CG2-CG1 4.43Å; I572-I633 HydrophobicContact CG2-CG2 3.95Å
634	V	76.8	Confident	67.4	Low	52 Å²	52	64.4 Å²	64.4	32%	0.315	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-42.4	-179.5	-179.9	0	0	0	0	110.3	R573 A575 R632	R573-V634 PolarHBondContact O-N 3.32Å; A575-V634 HydrophobicContact CB-CG2 3.34Å; R632-V634 HydrophobicContact CG-CG2 4.4Å; R632-V634 PolarHBondContact O-N 3.23Å
635	S	77.2	Confident	69.3	Low	30 Å²	30	57.7 Å²	57.7	21%	0.21	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	157.3	178.4	64.9	0	0	0	0	111.4	R573	R573-S635 PolarHBondContact N-O 3.39Å; R573-S635 PolarHBondContact O-N 3.08Å
636	A	79.1	Confident	71.6	Confident	41 Å²	41	52.1 Å²	52.1	34%	0.339	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	129.6	165.6	0	0	0	0	0	108.9	I562 L571 I572	I562-A636 HydrophobicContact CD1-CB 3.14Å; L571-A636 CarbonylContact O-C 3.59Å; L571-A636 VanDerWaalsContact O-CA 3.3Å; L571-A636 WeakPolarHBondContact O-CA 3.46Å; I572-A636 HydrophobicContact CG1-CB 4.41Å
637	T	75.8	Confident	73.1	Confident	37 Å²	37	49.8 Å²	49.8	23%	0.227	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.4	-178.9	-55.4	0	0	0	0	108	T570 L571 M1052	T570-T637 CarbonylContact C-O 3.34Å; T570-T637 WeakPolarHBondContact CA-O 3.25Å; L571-T637 PolarHBondContact N-O 3.3Å; L571-T637 PolarHBondContact O-N 2.83Å; T637-M1052 HydrophobicContact CG2-SD 3.91Å
638	Q	78.9	Confident	74.3	Confident	41 Å²	41	48.7 Å²	48.7	19%	0.192	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130.6	178.3	-76.1	179.6	-22.8	0	0	109.2	F568 Q569 T570 M1052	F568-Q638 HydrophobicContact CB-CB 3.78Å; F568-Q638 HydrophobicContact CB-CG 3.89Å; F568-Q638 HydrophobicContact CD1-CB 4.06Å; F568-Q638 HydrophobicContact CG-CB 3.87Å; F568-Q638 HydrophobicContact CG-CG 4.19Å; Q569-Q638 WeakPolarHBondContact O-CA 3.47Å; T570-Q638 HydrophobicContact CG2-CG 3.86Å; Q638-M1052 VanDerWaalsContact O-CE 3.27Å; Q638-M1052 WeakPolarHBondContact O-CE 3.39Å
639	S	75	Confident	75.3	Confident	38 Å²	38	47.9 Å²	47.9	27%	0.266	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	160.9	174.8	69.9	0	0	0	0	110.7	F568 Q569	F568-S639 WeakPolarHBondContact CA-O 3.32Å; Q569-S639 PolarHBondContact N-O 2.68Å; Q569-S639 PolarHBondContact O-N 2.88Å
640	S	72.5	Confident	76.1	Confident	75 Å²	75	47.7 Å²	47.7	52%	0.524	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	141.1	169	59.6	0	0	0	0	110.2
641	K	73.7	Confident	76.4	Confident	32 Å²	32	51.7 Å²	51.7	14%	0.139	30%	0.299	C	S	.	.			trans	-75.1	130	176.9	-75.6	-176.9	-173.2	172.4	0	110.7	S565 T566 F568 Q569 T643 Y646 L1030	S565-K641 PolarHBondContact O-NZ 2.92Å; T566-K641 VanDerWaalsContact CA-NZ 3.32Å; T566-K641 WeakPolarHBondContact O-CE 3.2Å; T566-K641 PolarHBondContact O-NZ 2.94Å; F568-K641 WeakPolarHBondContact O-CE 3.41Å; F568-K641 PolarHBondContact O-NZ 3.48Å; Q569-K641 HydrophobicContact CB-CG 4.11Å; K641-T643 PolarHBondContact O-N 2.86Å; K641-Y646 HydrophobicContact CB-CE2 3.98Å; K641-Y646 HydrophobicContact CD-CE2 4.29Å; K641-Y646 HydrophobicContact CG-CE2 4.14Å; K641-L1030 PolarHBondContact NZ-O 2.95Å
642	A	74.6	Confident	76.4	Confident	45 Å²	45	60.2 Å²	60.2	37%	0.372	33%	0.331	S	S	.	.			trans	-76.9	88.9	167.9	0	0	0	0	0	109.9	I644 M645 Y646	A642-I644 VanDerWaalsContact C-N 3.25Å; A642-I644 PolarHBondContact O-N 3.37Å; A642-M645 HydrophobicContact CB-CB 4.15Å; A642-M645 VanDerWaalsContact O-CB 3.29Å; A642-M645 WeakPolarHBondContact O-CB 3.49Å; A642-M645 PolarHBondContact O-N 3.19Å; A642-Y646 WeakPolarHBondContact O-CD2 3.39Å
643	T	72.6	Confident	76.6	Confident	90 Å²	90	59.4 Å²	59.4	55%	0.552	33%	0.333	S	S	*	.	H	α-helix	trans	-39.8	-53.5	176.1	-53.7	0	0	0	0	111.6	K641 M645 Y646 S647 E1027	K641-T643 PolarHBondContact O-N 2.86Å; T643-M645 PolarHBondContact O-N 2.9Å; T643-Y646 PolarHBondContact O-N 3.08Å; T643-S647 PolarHBondContact O-N 3.33Å; T643-S647 PolarHBondContact O-OG 3Å; T643-E1027 WeakPolarHBondContact CA-OE2 3.3Å; T643-E1027 WeakPolarHBondContact CG2-OE2 3.41Å
644	I	74.1	Confident	76.6	Confident	122 Å²	122	61.1 Å²	61.1	63%	0.626	35%	0.346	S	S	*	.	H	α-helix	trans	-51.9	-35.3	179.6	-166	166.1	0	0	0	114.8	A642 S647 L648	A642-I644 VanDerWaalsContact C-N 3.25Å; A642-I644 PolarHBondContact O-N 3.37Å; I644-S647 PolarHBondContact O-N 2.88Å; I644-L648 HydrophobicContact CG1-CD1 4.28Å; I644-L648 VanDerWaalsContact O-CG 3.25Å; I644-L648 WeakPolarHBondContact O-CG 3.3Å; I644-L648 PolarHBondContact O-N 2.84Å
645	M	75.1	Confident	76.8	Confident	41 Å²	41	65 Å²	65	20%	0.202	37%	0.366	C	S	.	.	H	α-helix	trans	-65.5	-43.8	179.2	-176.2	-178.6	72.8	0	0	110.8	F236 A642 T643 L648 L649	F236-M645 HydrophobicContact CE1-SD 3.94Å; F236-M645 HydrophobicContact CZ-CG 4.43Å; F236-M645 HydrophobicContact CZ-SD 3.64Å; A642-M645 HydrophobicContact CB-CB 4.15Å; A642-M645 VanDerWaalsContact O-CB 3.29Å; A642-M645 WeakPolarHBondContact O-CB 3.49Å; A642-M645 PolarHBondContact O-N 3.19Å; T643-M645 PolarHBondContact O-N 2.9Å; M645-L648 PolarHBondContact O-N 3.32Å; M645-L649 WeakPolarHBondContact O-CG 3.44Å; M645-L649 PolarHBondContact O-N 3.24Å
646	Y	81.4	Confident	77	Confident	2 Å²	2	66.9 Å²	66.9	1%	0.008	37%	0.373	C	S	.	.	H	α-helix	trans	-73.5	-34.2	179.5	-58.5	-73.1	0	0	0	111.5	V494 Q569 K641 A642 T643 L648 L649 A650 L1030 A1032	V494-Y646 HydrophobicContact CG1-CD1 4.38Å; V494-Y646 HydrophobicContact CG1-CE1 4.21Å; V494-Y646 HydrophobicContact CG2-CE1 4.23Å; Q569-Y646 PolarHBondContact OE1-OH 3.16Å; Q569-Y646 VanDerWaalsContact OE1-OH 3.07Å; K641-Y646 HydrophobicContact CB-CE2 3.98Å; K641-Y646 HydrophobicContact CD-CE2 4.29Å; K641-Y646 HydrophobicContact CG-CE2 4.14Å; A642-Y646 WeakPolarHBondContact O-CD2 3.39Å; T643-Y646 PolarHBondContact O-N 3.08Å; Y646-L648 VanDerWaalsContact C-N 3.31Å; Y646-L648 PolarHBondContact O-N 3.38Å; Y646-L649 HydrophobicContact CD1-CD1 4.18Å; Y646-L649 PolarHBondContact O-N 3.37Å; Y646-A650 WeakPolarHBondContact O-CB 3.35Å; Y646-A650 PolarHBondContact O-N 2.99Å; Y646-L1030 HydrophobicContact CD1-CD1 3.87Å; Y646-L1030 HydrophobicContact CG-CD1 4.09Å; Y646-A1032 HydrophobicContact CE1-CB 3.7Å; Y646-A1032 WeakPolarHBondContact OH-CB 3.15Å
647	S	75	Confident	77.2	Confident	32 Å²	32	65.4 Å²	65.4	22%	0.224	36%	0.359	C	S	.	.	H	α-helix	trans	-56	-47.6	169.6	-39.9	0	0	0	0	111.3	T643 I644 A650 L651 E1027	T643-S647 PolarHBondContact O-N 3.33Å; T643-S647 PolarHBondContact O-OG 3Å; I644-S647 PolarHBondContact O-N 2.88Å; S647-A650 PolarHBondContact O-N 3.43Å; S647-L651 WeakPolarHBondContact O-CG 3.19Å; S647-L651 PolarHBondContact O-N 3.33Å; S647-E1027 WeakPolarHBondContact CA-OE1 3.3Å; S647-E1027 WeakPolarHBondContact CB-OE1 3.33Å; S647-E1027 VanDerWaalsContact N-CD 3.34Å; S647-E1027 PolarHBondContact N-OE1 3.27Å; S647-E1027 PolarHBondContact OG-OE1 3.46Å; S647-E1027 PolarHBondContact OG-OE2 3.23Å
648	L	75.5	Confident	77.5	Confident	96 Å²	96	67.8 Å²	67.8	50%	0.503	37%	0.369	S	S	.	.	H	α-helix	trans	-67	-38.3	-179.7	-71.2	170.9	0	0	0	112.1	I644 M645 Y646 A650 L651 R652	I644-L648 HydrophobicContact CG1-CD1 4.28Å; I644-L648 VanDerWaalsContact O-CG 3.25Å; I644-L648 WeakPolarHBondContact O-CG 3.3Å; I644-L648 PolarHBondContact O-N 2.84Å; M645-L648 PolarHBondContact O-N 3.32Å; Y646-L648 VanDerWaalsContact C-N 3.31Å; Y646-L648 PolarHBondContact O-N 3.38Å; L648-A650 VanDerWaalsContact C-N 3.34Å; L648-L651 HydrophobicContact CD2-CD1 4.49Å; L648-L651 PolarHBondContact O-N 2.83Å; L648-R652 WeakPolarHBondContact O-CB 3.42Å; L648-R652 PolarHBondContact O-N 3.03Å
649	L	78.8	Confident	77.7	Confident	33 Å²	33	66.4 Å²	66.4	17%	0.173	36%	0.362	C	S	.	.	H	α-helix	trans	-62	-42.7	173.6	-73.5	171.6	0	0	0	111.7	F456 M645 Y646 R652 N653 F657	F456-L649 HydrophobicContact CD2-CD2 4.29Å; F456-L649 HydrophobicContact CE2-CD2 4.12Å; M645-L649 WeakPolarHBondContact O-CG 3.44Å; M645-L649 PolarHBondContact O-N 3.24Å; Y646-L649 HydrophobicContact CD1-CD1 4.18Å; Y646-L649 PolarHBondContact O-N 3.37Å; L649-R652 PolarHBondContact O-N 2.97Å; L649-N653 PolarHBondContact O-N 3.46Å; L649-F657 HydrophobicContact CB-CE2 4.41Å; L649-F657 HydrophobicContact CB-CZ 4.03Å
650	A	79.4	Confident	77.9	Confident	25 Å²	25	67.2 Å²	67.2	21%	0.207	36%	0.363	C	S	.	.	H	α-helix	trans	-65.2	-40.2	176.3	0	0	0	0	0	112.1	Y646 S647 L648 R652 N653 P654 F657	Y646-A650 WeakPolarHBondContact O-CB 3.35Å; Y646-A650 PolarHBondContact O-N 2.99Å; S647-A650 PolarHBondContact O-N 3.43Å; L648-A650 VanDerWaalsContact C-N 3.34Å; A650-R652 VanDerWaalsContact C-N 3.35Å; A650-R652 PolarHBondContact O-N 3.02Å; A650-N653 CarbonylContact O-C 3.28Å; A650-N653 PolarHBondContact O-N 3.44Å; A650-P654 WeakPolarHBondContact O-CA 3.46Å; A650-P654 VanDerWaalsContact O-N 3.07Å; A650-F657 HydrophobicContact CB-CB 4.34Å; A650-F657 HydrophobicContact CB-CD1 4.2Å; A650-F657 HydrophobicContact CB-CD2 4.02Å; A650-F657 HydrophobicContact CB-CE2 4.35Å; A650-F657 HydrophobicContact CB-CG 3.93Å
651	L	77.6	Confident	78	Confident	134 Å²	134	67.8 Å²	67.8	70%	0.702	36%	0.357	S	S	*	.	H	α-helix	trans	-65.9	-35.3	174.7	-72.9	170.3	0	0	0	112.7	S647 L648	S647-L651 WeakPolarHBondContact O-CG 3.19Å; S647-L651 PolarHBondContact O-N 3.33Å; L648-L651 HydrophobicContact CD2-CD1 4.49Å; L648-L651 PolarHBondContact O-N 2.83Å
652	R	76.7	Confident	78	Confident	180 Å²	180	68.6 Å²	68.6	68%	0.679	36%	0.362	S	S	*	.	H	α-helix	trans	-69.1	-36.6	178.8	-171.6	177.6	-178.5	175.3	3.6	112.2	L648 L649 A650	L648-R652 WeakPolarHBondContact O-CB 3.42Å; L648-R652 PolarHBondContact O-N 3.03Å; L649-R652 PolarHBondContact O-N 2.97Å; A650-R652 VanDerWaalsContact C-N 3.35Å; A650-R652 PolarHBondContact O-N 3.02Å
653	N	80.4	Confident	78.1	Confident	66 Å²	66	67.4 Å²	67.4	35%	0.353	35%	0.349	S	S	.	.			trans	-137.9	69.9	-177.8	-66.7	-64.5	0	0	0	111.5	L649 A650 N655 L656 F657	L649-N653 PolarHBondContact O-N 3.46Å; A650-N653 CarbonylContact O-C 3.28Å; A650-N653 PolarHBondContact O-N 3.44Å; N653-N655 VanDerWaalsContact C-N 3.25Å; N653-N655 PolarHBondContact O-N 3.43Å; N653-N655 VanDerWaalsContact O-N 3.17Å; N653-L656 HydrophobicContact CB-CB 4.34Å; N653-L656 HydrophobicContact CB-CD1 3.6Å; N653-L656 HydrophobicContact CB-CG 4.03Å; N653-L656 PolarHBondContact O-N 3.44Å; N653-F657 WeakPolarHBondContact O-CD2 3.27Å
654	P	79.3	Confident	78.5	Confident	71 Å²	71	63.1 Å²	63.1	46%	0.461	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-57.4	-39.6	-171.7	21.7	-33.3	0	0	0	112.4	A650 L656 F657 I658	A650-P654 WeakPolarHBondContact O-CA 3.46Å; A650-P654 VanDerWaalsContact O-N 3.07Å; P654-L656 PolarHBondContact O-N 2.99Å; P654-F657 PolarHBondContact O-N 3.4Å; P654-I658 WeakPolarHBondContact O-CG1 3.25Å; P654-I658 PolarHBondContact O-N 3.09Å
655	N	80.4	Confident	78.6	Confident	135 Å²	135	60.1 Å²	60.1	72%	0.722	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-60.6	-28.5	-178.9	-64.2	-17.1	0	0	0	113.8	N653 F657	N653-N655 VanDerWaalsContact C-N 3.25Å; N653-N655 PolarHBondContact O-N 3.43Å; N653-N655 VanDerWaalsContact O-N 3.17Å; N655-F657 VanDerWaalsContact C-N 3.29Å
656	L	80.5	Confident	78.9	Confident	69 Å²	69	59.3 Å²	59.3	36%	0.361	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-69.8	-31.2	176.7	-68.9	175.1	0	0	0	111.5	K455 N653 P654	K455-L656 WeakPolarHBondContact CD-O 3.05Å; K455-L656 WeakPolarHBondContact CE-O 3.46Å; K455-L656 PolarHBondContact NZ-O 3.31Å; N653-L656 HydrophobicContact CB-CB 4.34Å; N653-L656 HydrophobicContact CB-CD1 3.6Å; N653-L656 HydrophobicContact CB-CG 4.03Å; N653-L656 PolarHBondContact O-N 3.44Å; P654-L656 PolarHBondContact O-N 2.99Å
657	F	84.2	Confident	79	Confident	9 Å²	9	59.2 Å²	59.2	4%	0.039	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-96.4	10.3	-176	-65.7	-97	0	0	0	113.1	K455 L649 A650 N653 P654 N655 K1024 V1025 L1030	K455-F657 HydrophobicContact CB-CE1 4.03Å; K455-F657 HydrophobicContact CB-CZ 4.14Å; K455-F657 HydrophobicContact CG-CD1 4.45Å; K455-F657 HydrophobicContact CG-CE1 4.34Å; L649-F657 HydrophobicContact CB-CE2 4.41Å; L649-F657 HydrophobicContact CB-CZ 4.03Å; A650-F657 HydrophobicContact CB-CB 4.34Å; A650-F657 HydrophobicContact CB-CD1 4.2Å; A650-F657 HydrophobicContact CB-CD2 4.02Å; A650-F657 HydrophobicContact CB-CE2 4.35Å; A650-F657 HydrophobicContact CB-CG 3.93Å; N653-F657 WeakPolarHBondContact O-CD2 3.27Å; P654-F657 PolarHBondContact O-N 3.4Å; N655-F657 VanDerWaalsContact C-N 3.29Å; F657-K1024 CarbonylContact O-C 3.56Å; F657-K1024 WeakPolarHBondContact O-CA 3.39Å; F657-V1025 HydrophobicContact CD1-CB 4.33Å; F657-V1025 WeakPolarHBondContact O-CG2 3.24Å; F657-V1025 PolarHBondContact O-N 3.28Å; F657-L1030 HydrophobicContact CD1-CD1 4.37Å; F657-L1030 HydrophobicContact CD1-CD2 4.29Å; F657-L1030 HydrophobicContact CE1-CD1 3.79Å; F657-L1030 HydrophobicContact CE1-CD2 4.01Å
658	I	81.8	Confident	79.3	Confident	87 Å²	87	58.3 Å²	58.3	45%	0.446	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-84.5	133	170.9	-63.4	172.2	0	0	0	108.8	P654	P654-I658 WeakPolarHBondContact O-CG1 3.25Å; P654-I658 PolarHBondContact O-N 3.09Å
659	R	82.7	Confident	79.7	Confident	12 Å²	12	55.8 Å²	55.8	5%	0.045	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-89	153.6	172.6	-73.5	169.9	167	178.4	-6.4	110.4	D496 D499 Y500 K661 L1022 Q1023 V1025	D496-R659 IonicContact OD1-CZ 2.97Å; D496-R659 IonicContact OD1-NE 2.68Å; D496-R659 IonicContact OD1-NH2 3.88Å; D496-R659 PolarHBondContact OD1-NH2 3.07Å; D496-R659 IonicContact OD2-CZ 2.79Å; D496-R659 IonicContact OD2-NE 3.56Å; D496-R659 PolarHBondContact OD2-NE 3.29Å; D496-R659 IonicContact OD2-NH2 3.9Å; D499-R659 IonicContact OD1-CZ 3.28Å; D499-R659 IonicContact OD1-NH1 3.53Å; D499-R659 IonicContact OD1-NH2 2.75Å; D499-R659 PolarHBondContact OD1-NH2 3.15Å; Y500-R659 VanDerWaalsContact CD1-CZ 3.41Å; Y500-R659 HydrophobicContact CE1-CG 4.29Å; R659-K661 PolarHBondContact O-N 3.28Å; R659-L1022 VanDerWaalsContact CD-O 3.24Å; R659-L1022 WeakPolarHBondContact CD-O 3.44Å; R659-Q1023 PolarHBondContact N-O 2.96Å; R659-V1025 HydrophobicContact CG-CG2 3.81Å
660	N	79.6	Confident	80.1	Confident	55 Å²	55	54.4 Å²	54.4	29%	0.294	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-64.1	119.5	171.2	-178	-14.6	0	0	0	109.3	I662 D663 L664	N660-I662 VanDerWaalsContact C-N 3.29Å; N660-I662 PolarHBondContact O-N 3.3Å; N660-I662 PolarHBondContact OD1-N 3.44Å; N660-D663 HydrophobicContact CB-CB 4.13Å; N660-D663 WeakPolarHBondContact CB-OD2 3.47Å; N660-D663 VanDerWaalsContact CG-OD2 3.32Å; N660-D663 PolarHBondContact ND2-OD2 2.93Å; N660-D663 PolarHBondContact O-N 3.05Å; N660-L664 WeakPolarHBondContact O-CB 2.87Å; N660-L664 PolarHBondContact O-N 3.4Å
661	K	75.7	Confident	80.2	Confident	88 Å²	88	55.7 Å²	55.7	38%	0.383	27%	0.271	S	S	.	.	H	α-helix	trans	-55.2	-43.4	-178.5	-166.2	-175.1	176.4	-178.7	0	112.3	R659 E665 Y1019	R659-K661 PolarHBondContact O-N 3.28Å; K661-E665 VanDerWaalsContact CE-OE1 3.3Å; K661-E665 WeakPolarHBondContact CE-OE1 3.05Å; K661-E665 WeakPolarHBondContact O-CG 3.02Å; K661-E665 PolarHBondContact O-N 2.85Å; K661-Y1019 HydrophobicContact CG-CE1 4.4Å; K661-Y1019 WeakPolarHBondContact CG-OH 3.07Å; K661-Y1019 PolarHBondContact O-OH 3.41Å
662	I	73.1	Confident	80.6	Confident	49 Å²	49	50.4 Å²	50.4	25%	0.251	24%	0.243	S	C	.	.	H	α-helix	trans	-70.3	-47.8	-175	-61.8	171.7	0	0	0	110.6	N660 L664 E665 R666 M826	N660-I662 VanDerWaalsContact C-N 3.29Å; N660-I662 PolarHBondContact O-N 3.3Å; N660-I662 PolarHBondContact OD1-N 3.44Å; I662-L664 VanDerWaalsContact C-N 3.26Å; I662-L664 PolarHBondContact O-N 3.3Å; I662-E665 PolarHBondContact O-N 3.17Å; I662-R666 WeakPolarHBondContact O-CB 3.25Å; I662-R666 PolarHBondContact O-N 3.16Å; I662-M826 HydrophobicContact CD1-CG 4.25Å; I662-M826 HydrophobicContact CD1-SD 3.65Å; I662-M826 HydrophobicContact CG1-SD 4.43Å
663	D	77	Confident	81.1	Confident	20 Å²	20	41.9 Å²	41.9	11%	0.107	21%	0.211	C	C	.	.	H	α-helix	trans	-62.7	-38.7	178.9	-64.3	-31.5	0	0	0	110.7	N660 R666 G667	N660-D663 HydrophobicContact CB-CB 4.13Å; N660-D663 WeakPolarHBondContact CB-OD2 3.47Å; N660-D663 VanDerWaalsContact CG-OD2 3.32Å; N660-D663 PolarHBondContact ND2-OD2 2.93Å; N660-D663 PolarHBondContact O-N 3.05Å; D663-R666 PolarHBondContact O-N 2.7Å; D663-G667 PolarHBondContact O-N 3.02Å
664	L	80.9	Confident	81.3	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.5	-51.6	174.6	178.3	66.5	0	0	0	112	Y500 N660 I662 R666 G667 L668 Y1019 L1022 Q1023	Y500-L664 HydrophobicContact CD1-CD1 4.21Å; Y500-L664 HydrophobicContact CD2-CD1 3.78Å; Y500-L664 HydrophobicContact CE2-CB 4.41Å; Y500-L664 HydrophobicContact CE2-CD1 4.3Å; Y500-L664 HydrophobicContact CG-CD1 3.72Å; N660-L664 WeakPolarHBondContact O-CB 2.87Å; N660-L664 PolarHBondContact O-N 3.4Å; I662-L664 VanDerWaalsContact C-N 3.26Å; I662-L664 PolarHBondContact O-N 3.3Å; L664-R666 PolarHBondContact O-N 3.49Å; L664-G667 PolarHBondContact O-N 2.86Å; L664-L668 HydrophobicContact CD1-CD1 4.25Å; L664-L668 HydrophobicContact CD1-CG 4.31Å; L664-L668 HydrophobicContact CG-CD1 4.14Å; L664-L668 WeakPolarHBondContact O-CB 3.49Å; L664-L668 VanDerWaalsContact O-CG 3.25Å; L664-L668 WeakPolarHBondContact O-CG 3.42Å; L664-L668 PolarHBondContact O-N 3.05Å; L664-Y1019 HydrophobicContact CD2-CD2 4.4Å; L664-Y1019 HydrophobicContact CD2-CE2 3.77Å; L664-Y1019 HydrophobicContact CG-CE2 3.94Å; L664-L1022 HydrophobicContact CD1-CB 3.86Å; L664-L1022 HydrophobicContact CD1-CD1 4.41Å; L664-L1022 HydrophobicContact CD2-CB 3.79Å; L664-L1022 WeakPolarHBondContact CD2-O 3.35Å; L664-L1022 HydrophobicContact CG-CB 4.37Å; L664-Q1023 HydrophobicContact CD2-CG 4.13Å
665	E	76.7	Confident	81.5	Confident	59 Å²	59	38.6 Å²	38.6	28%	0.276	19%	0.19	S	C	.	.	H	α-helix	trans	-56.8	-40.3	177.4	-75	-177.8	-164.7	0	0	111.7	K661 I662 R669 Y1019	K661-E665 VanDerWaalsContact CE-OE1 3.3Å; K661-E665 WeakPolarHBondContact CE-OE1 3.05Å; K661-E665 WeakPolarHBondContact O-CG 3.02Å; K661-E665 PolarHBondContact O-N 2.85Å; I662-E665 PolarHBondContact O-N 3.17Å; E665-R669 VanDerWaalsContact O-CG 3.3Å; E665-R669 WeakPolarHBondContact O-CG 3.49Å; E665-R669 PolarHBondContact O-N 2.91Å; E665-R669 IonicContact OE2-NH2 2.82Å; E665-R669 PolarHBondContact OE2-NH2 3.25Å; E665-R669 VanDerWaalsContact OE2-NH2 3.1Å; E665-Y1019 HydrophobicContact CB-CE2 4.41Å; E665-Y1019 HydrophobicContact CG-CE2 3.43Å; E665-Y1019 VanDerWaalsContact CG-CE2 3.43Å; E665-Y1019 VanDerWaalsContact CG-OH 3.24Å; E665-Y1019 WeakPolarHBondContact CG-OH 3.25Å; E665-Y1019 PolarHBondContact OE1-OH 2.95Å
666	R	80.4	Confident	81.8	Confident	23 Å²	23	32.2 Å²	32.2	9%	0.087	16%	0.156	C	C	.	.	H	α-helix	trans	-70.8	-45.3	180	-166.3	-177.2	-73	154.7	0.3	112	S399 I662 D663 L664 L668 R669 I670 L840	S399-R666 WeakPolarHBondContact O-CD 3.39Å; S399-R666 PolarHBondContact O-NH1 3.15Å; I662-R666 WeakPolarHBondContact O-CB 3.25Å; I662-R666 PolarHBondContact O-N 3.16Å; D663-R666 PolarHBondContact O-N 2.7Å; L664-R666 PolarHBondContact O-N 3.49Å; R666-L668 VanDerWaalsContact C-N 3.25Å; R666-L668 PolarHBondContact O-N 3.08Å; R666-R669 PolarHBondContact O-N 2.94Å; R666-R669 VanDerWaalsContact O-N 3.15Å; R666-I670 HydrophobicContact CG-CD1 4.28Å; R666-I670 VanDerWaalsContact O-CG1 3.32Å; R666-I670 WeakPolarHBondContact O-CG1 3.47Å; R666-I670 PolarHBondContact O-N 3.37Å; R666-L840 HydrophobicContact CG-CD1 3.84Å
667	G	84.1	Confident	82	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-55.2	-44	174.4	0	0	0	0	0	111.4	Y500 D663 L664 R669 I670 Q671	Y500-G667 CarbonylContact O-C 3.58Å; D663-G667 PolarHBondContact O-N 3.02Å; L664-G667 PolarHBondContact O-N 2.86Å; G667-R669 PolarHBondContact O-N 3.22Å; G667-I670 WeakPolarHBondContact O-CB 3.47Å; G667-I670 PolarHBondContact O-N 2.92Å; G667-I670 VanDerWaalsContact O-N 3.14Å; G667-Q671 WeakPolarHBondContact O-CG 3.24Å; G667-Q671 PolarHBondContact O-N 3.36Å
668	L	81.5	Confident	81.9	Confident	13 Å²	13	36.5 Å²	36.5	7%	0.068	18%	0.177	C	C	.	.	H	α-helix	trans	-62.4	-42.3	175.3	-70.6	176.9	0	0	0	113.6	L664 R666 I670 Q671 Q672 I1017 Y1019 L1022	L664-L668 HydrophobicContact CD1-CD1 4.25Å; L664-L668 HydrophobicContact CD1-CG 4.31Å; L664-L668 HydrophobicContact CG-CD1 4.14Å; L664-L668 WeakPolarHBondContact O-CB 3.49Å; L664-L668 VanDerWaalsContact O-CG 3.25Å; L664-L668 WeakPolarHBondContact O-CG 3.42Å; L664-L668 PolarHBondContact O-N 3.05Å; R666-L668 VanDerWaalsContact C-N 3.25Å; R666-L668 PolarHBondContact O-N 3.08Å; L668-I670 VanDerWaalsContact C-N 3.25Å; L668-I670 PolarHBondContact O-N 3.07Å; L668-Q671 WeakPolarHBondContact O-CB 3.37Å; L668-Q671 PolarHBondContact O-N 2.86Å; L668-Q672 WeakPolarHBondContact O-CB 2.96Å; L668-Q672 WeakPolarHBondContact O-CG 3.25Å; L668-Q672 PolarHBondContact O-N 2.87Å; L668-I1017 HydrophobicContact CD1-CG2 4.29Å; L668-I1017 HydrophobicContact CD2-CD1 3.59Å; L668-I1017 HydrophobicContact CD2-CG2 3.86Å; L668-Y1019 HydrophobicContact CD1-CD2 3.52Å; L668-Y1019 HydrophobicContact CD1-CE2 3.87Å; L668-L1022 HydrophobicContact CD1-CD1 3.95Å; L668-L1022 HydrophobicContact CD2-CD1 3.72Å; L668-L1022 HydrophobicContact CG-CD1 4.34Å
669	R	83.8	Confident	81.9	Confident	43 Å²	43	35.6 Å²	35.6	16%	0.162	18%	0.176	C	C	.	.	H	α-helix	trans	-63.3	-33.4	174.7	-72.3	173	-167.4	160.4	16.2	112.1	E665 R666 G667 Q672 R673 L840 Q844	E665-R669 VanDerWaalsContact O-CG 3.3Å; E665-R669 WeakPolarHBondContact O-CG 3.49Å; E665-R669 PolarHBondContact O-N 2.91Å; E665-R669 IonicContact OE2-NH2 2.82Å; E665-R669 PolarHBondContact OE2-NH2 3.25Å; E665-R669 VanDerWaalsContact OE2-NH2 3.1Å; R666-R669 PolarHBondContact O-N 2.94Å; R666-R669 VanDerWaalsContact O-N 3.15Å; G667-R669 PolarHBondContact O-N 3.22Å; R669-Q672 WeakPolarHBondContact O-CB 3.32Å; R669-Q672 PolarHBondContact O-N 3.08Å; R669-R673 VanDerWaalsContact O-CB 3.3Å; R669-R673 WeakPolarHBondContact O-CB 3.44Å; R669-R673 PolarHBondContact O-N 2.96Å; R669-L840 HydrophobicContact CB-CB 4.3Å; R669-L840 HydrophobicContact CB-CD2 4.22Å; R669-Q844 HydrophobicContact CG-CB 4.4Å
670	I	85.6	Confident	82	Confident	5 Å²	5	37.3 Å²	37.3	3%	0.026	19%	0.186	C	C	.	.	H	α-helix	trans	-70.3	-40.1	175.4	-65.5	165.3	0	0	0	110.6	G398 S399 F402 Y411 R666 G667 L668 R673 A674 L840	G398-I670 WeakPolarHBondContact O-CD1 3.47Å; S399-I670 VanDerWaalsContact N-CD1 3.33Å; F402-I670 HydrophobicContact CB-CD1 4.4Å; F402-I670 HydrophobicContact CD2-CD1 3.43Å; F402-I670 VanDerWaalsContact CD2-CD1 3.43Å; F402-I670 HydrophobicContact CD2-CG1 3.7Å; F402-I670 HydrophobicContact CE2-CB 4.48Å; F402-I670 HydrophobicContact CE2-CD1 3.88Å; F402-I670 HydrophobicContact CE2-CG1 3.75Å; F402-I670 HydrophobicContact CE2-CG2 3.95Å; F402-I670 HydrophobicContact CG-CD1 4.05Å; F402-I670 HydrophobicContact CG-CG1 4.2Å; F402-I670 HydrophobicContact CZ-CG1 4.3Å; Y411-I670 HydrophobicContact CD2-CG2 4.27Å; Y411-I670 HydrophobicContact CE2-CG2 3.53Å; R666-I670 HydrophobicContact CG-CD1 4.28Å; R666-I670 VanDerWaalsContact O-CG1 3.32Å; R666-I670 WeakPolarHBondContact O-CG1 3.47Å; R666-I670 PolarHBondContact O-N 3.37Å; G667-I670 WeakPolarHBondContact O-CB 3.47Å; G667-I670 PolarHBondContact O-N 2.92Å; G667-I670 VanDerWaalsContact O-N 3.14Å; L668-I670 VanDerWaalsContact C-N 3.25Å; L668-I670 PolarHBondContact O-N 3.07Å; I670-R673 WeakPolarHBondContact O-CB 3.47Å; I670-R673 PolarHBondContact O-N 2.93Å; I670-A674 WeakPolarHBondContact O-CB 3.48Å; I670-A674 PolarHBondContact O-N 2.87Å; I670-L840 HydrophobicContact CD1-CD1 4.39Å; I670-L840 HydrophobicContact CG1-CD1 3.86Å; I670-L840 HydrophobicContact CG1-CD2 3.91Å
671	Q	83.2	Confident	82.4	Confident	51 Å²	51	40.8 Å²	40.8	24%	0.238	20%	0.201	C	C	.	.	H	α-helix	trans	-63	-42.9	172.6	-68.3	-176.2	-11.8	0	0	111.9	Y500 G667 L668 R673 A674 F675 F1015	Y500-Q671 PolarHBondContact O-NE2 2.98Å; G667-Q671 WeakPolarHBondContact O-CG 3.24Å; G667-Q671 PolarHBondContact O-N 3.36Å; L668-Q671 WeakPolarHBondContact O-CB 3.37Å; L668-Q671 PolarHBondContact O-N 2.86Å; Q671-R673 VanDerWaalsContact C-N 3.35Å; Q671-R673 PolarHBondContact O-N 3.38Å; Q671-A674 PolarHBondContact O-N 3.48Å; Q671-F675 WeakPolarHBondContact O-CB 3.34Å; Q671-F675 PolarHBondContact O-N 3.4Å; Q671-F1015 HydrophobicContact CB-CZ 4.39Å
672	Q	84.5	Confident	83.1	Confident	24 Å²	24	41.4 Å²	41.4	11%	0.112	21%	0.212	C	C	.	.	H	α-helix	trans	-58.6	-45.1	172.6	-80	176.1	-14.8	0	0	112.2	L668 R669 F675 I676 I843 F847 F1015	L668-Q672 WeakPolarHBondContact O-CB 2.96Å; L668-Q672 WeakPolarHBondContact O-CG 3.25Å; L668-Q672 PolarHBondContact O-N 2.87Å; R669-Q672 WeakPolarHBondContact O-CB 3.32Å; R669-Q672 PolarHBondContact O-N 3.08Å; Q672-F675 PolarHBondContact O-N 2.83Å; Q672-I676 WeakPolarHBondContact O-CG2 3.47Å; Q672-I676 PolarHBondContact O-N 3.46Å; Q672-I843 HydrophobicContact CB-CG2 3.84Å; Q672-F847 HydrophobicContact CB-CD2 3.75Å; Q672-F847 HydrophobicContact CB-CE2 3.52Å; Q672-F847 HydrophobicContact CB-CZ 4.11Å; Q672-F847 HydrophobicContact CG-CD1 4.46Å; Q672-F847 HydrophobicContact CG-CD2 3.84Å; Q672-F847 HydrophobicContact CG-CE2 3.93Å; Q672-F847 HydrophobicContact CG-CG 4.14Å; Q672-F847 HydrophobicContact CG-CZ 4.26Å; Q672-F1015 HydrophobicContact CB-CE1 4.38Å; Q672-F1015 HydrophobicContact CG-CD1 3.84Å; Q672-F1015 HydrophobicContact CG-CE1 3.27Å; Q672-F1015 HydrophobicContact CG-CZ 3.95Å
673	R	88.6	Confident	83.8	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59	-48.4	175.3	-178	-159.7	178.2	-88.9	6.2	111.1	S408 Y411 D412 R669 I670 Q671 F675 I676 Q677 F684 E839 L840 I843	S408-R673 PolarHBondContact OG-NH2 3.32Å; Y411-R673 VanDerWaalsContact CD1-NH1 3.29Å; D412-R673 VanDerWaalsContact CG-NH2 3.29Å; D412-R673 IonicContact OD1-CZ 2.93Å; D412-R673 VanDerWaalsContact OD1-CZ 3.26Å; D412-R673 IonicContact OD1-NH1 3.1Å; D412-R673 PolarHBondContact OD1-NH1 2.8Å; D412-R673 IonicContact OD1-NH2 3.85Å; D412-R673 PolarHBondContact OD1-NH2 3.03Å; D412-R673 IonicContact OD2-NH2 3.89Å; D412-R673 PolarHBondContact OD2-NH2 3.45Å; R669-R673 VanDerWaalsContact O-CB 3.3Å; R669-R673 WeakPolarHBondContact O-CB 3.44Å; R669-R673 PolarHBondContact O-N 2.96Å; I670-R673 WeakPolarHBondContact O-CB 3.47Å; I670-R673 PolarHBondContact O-N 2.93Å; Q671-R673 VanDerWaalsContact C-N 3.35Å; Q671-R673 PolarHBondContact O-N 3.38Å; R673-F675 VanDerWaalsContact C-N 3.34Å; R673-F675 PolarHBondContact O-N 2.94Å; R673-I676 VanDerWaalsContact O-CG2 3.24Å; R673-I676 WeakPolarHBondContact O-CG2 3.37Å; R673-I676 PolarHBondContact O-N 3.14Å; R673-Q677 WeakPolarHBondContact O-CB 3.33Å; R673-Q677 PolarHBondContact O-N 2.95Å; R673-F684 HydrophobicContact CG-CE2 3.75Å; R673-F684 HydrophobicContact CG-CZ 4.47Å; R673-E839 IonicContact CZ-OE1 3.6Å; R673-E839 VanDerWaalsContact CZ-OE1 3.3Å; R673-E839 IonicContact NE-OE1 3.63Å; R673-E839 PolarHBondContact NE-OE1 3.31Å; R673-E839 IonicContact NH2-OE1 3.65Å; R673-E839 PolarHBondContact NH2-OE1 2.91Å; R673-E839 VanDerWaalsContact NH2-OE1 3.14Å; R673-L840 HydrophobicContact CB-CD2 4.25Å; R673-I843 HydrophobicContact CB-CG1 4.22Å; R673-I843 HydrophobicContact CB-CG2 4.37Å; R673-I843 HydrophobicContact CG-CG1 4.3Å
674	A	84.4	Confident	84.5	Confident	19 Å²	19	38.5 Å²	38.5	16%	0.157	20%	0.198	C	C	.	.	H	α-helix	trans	-63.2	-41.7	177.7	0	0	0	0	0	111.6	I670 Q671 Q677 L678	I670-A674 WeakPolarHBondContact O-CB 3.48Å; I670-A674 PolarHBondContact O-N 2.87Å; Q671-A674 PolarHBondContact O-N 3.48Å; A674-Q677 PolarHBondContact O-N 2.76Å; A674-L678 WeakPolarHBondContact O-CB 3.42Å; A674-L678 VanDerWaalsContact O-CG 3.3Å; A674-L678 WeakPolarHBondContact O-CG 3.36Å; A674-L678 PolarHBondContact O-N 3.19Å
675	F	83.7	Confident	85.1	Confident	50 Å²	50	41.5 Å²	41.5	22%	0.219	21%	0.214	C	C	.	.	H	α-helix	trans	-61.6	-47.1	178.4	178.6	-102.4	0	0	0	112.2	Q671 Q672 R673 L678 T679 F847 I1011 T1014 F1015	Q671-F675 WeakPolarHBondContact O-CB 3.34Å; Q671-F675 PolarHBondContact O-N 3.4Å; Q672-F675 PolarHBondContact O-N 2.83Å; R673-F675 VanDerWaalsContact C-N 3.34Å; R673-F675 PolarHBondContact O-N 2.94Å; F675-L678 PolarHBondContact O-N 3.27Å; F675-T679 HydrophobicContact CD1-CG2 4.39Å; F675-T679 HydrophobicContact CD2-CG2 4Å; F675-T679 HydrophobicContact CE1-CG2 4.04Å; F675-T679 HydrophobicContact CE2-CG2 3.62Å; F675-T679 HydrophobicContact CG-CG2 4.38Å; F675-T679 HydrophobicContact CZ-CG2 3.65Å; F675-T679 WeakPolarHBondContact O-CB 3.29Å; F675-T679 WeakPolarHBondContact O-CG2 3.3Å; F675-T679 PolarHBondContact O-N 3.13Å; F675-T679 PolarHBondContact O-OG1 3.11Å; F675-F847 HydrophobicContact CD1-CE1 4.5Å; F675-F847 HydrophobicContact CD1-CZ 4.21Å; F675-I1011 HydrophobicContact CD1-CG2 4.32Å; F675-I1011 HydrophobicContact CE1-CG2 3.67Å; F675-T1014 HydrophobicContact CZ-CG2 4.29Å; F675-F1015 HydrophobicContact CB-CD2 4.02Å; F675-F1015 HydrophobicContact CB-CE2 3.93Å; F675-F1015 HydrophobicContact CD1-CB 3.92Å; F675-F1015 AromaticContact CD1-CD2 3.66Å; F675-F1015 HydrophobicContact CD1-CD2 3.66Å; F675-F1015 HydrophobicContact CD1-CE2 4.43Å; F675-F1015 AromaticContact CD1-CG 3.99Å; F675-F1015 HydrophobicContact CD1-CG 3.99Å; F675-F1015 AromaticContact CD2-CD2 3.8Å; F675-F1015 HydrophobicContact CD2-CD2 3.8Å; F675-F1015 HydrophobicContact CD2-CE2 4.23Å; F675-F1015 HydrophobicContact CE1-CB 3.65Å; F675-F1015 HydrophobicContact CE1-CD2 4.01Å; F675-F1015 HydrophobicContact CE1-CG 4.19Å; F675-F1015 HydrophobicContact CE2-CD2 4.13Å; F675-F1015 AromaticContact CG-CD2 3.54Å; F675-F1015 HydrophobicContact CG-CD2 3.54Å; F675-F1015 AromaticContact CG-CE2 3.95Å; F675-F1015 HydrophobicContact CG-CE2 3.95Å; F675-F1015 HydrophobicContact CG-CG 4.32Å; F675-F1015 HydrophobicContact CZ-CB 4.16Å; F675-F1015 HydrophobicContact CZ-CD2 4.22Å
676	I	85.3	Confident	85.8	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-68.1	-37.6	178.9	-165.7	168.7	0	0	0	112.1	Q672 R673 L678 T679 N680 F684 L687 I843 F846 F847	Q672-I676 WeakPolarHBondContact O-CG2 3.47Å; Q672-I676 PolarHBondContact O-N 3.46Å; R673-I676 VanDerWaalsContact O-CG2 3.24Å; R673-I676 WeakPolarHBondContact O-CG2 3.37Å; R673-I676 PolarHBondContact O-N 3.14Å; I676-L678 VanDerWaalsContact C-N 3.28Å; I676-L678 PolarHBondContact O-N 2.93Å; I676-T679 WeakPolarHBondContact CA-OG1 3.39Å; I676-T679 PolarHBondContact O-N 3.25Å; I676-N680 CarbonylContact O-C 3.55Å; I676-N680 VanDerWaalsContact O-C 3.28Å; I676-N680 PolarHBondContact O-N 3.19Å; I676-N680 VanDerWaalsContact O-O 3.13Å; I676-F684 HydrophobicContact CG2-CB 4.36Å; I676-F684 HydrophobicContact CG2-CD2 3.81Å; I676-L687 HydrophobicContact CD1-CD1 3.48Å; I676-L687 VanDerWaalsContact CD1-CD1 3.48Å; I676-I843 HydrophobicContact CG2-CD1 4.07Å; I676-F846 HydrophobicContact CD1-CD1 3.6Å; I676-F846 HydrophobicContact CD1-CE1 3.26Å; I676-F846 HydrophobicContact CD1-CE2 4.33Å; I676-F846 HydrophobicContact CD1-CG 4.27Å; I676-F846 HydrophobicContact CD1-CZ 3.67Å; I676-F846 HydrophobicContact CG1-CE1 4.39Å; I676-F847 HydrophobicContact CB-CZ 4.43Å
677	Q	86.3	Confident	86.4	Confident	46 Å²	46	42.3 Å²	42.3	22%	0.215	22%	0.219	C	C	.	.	H	α-helix	trans	-59.8	-40.5	175.3	-176.8	176.1	14.7	0	0	111.6	R673 A674 F684	R673-Q677 WeakPolarHBondContact O-CB 3.33Å; R673-Q677 PolarHBondContact O-N 2.95Å; A674-Q677 PolarHBondContact O-N 2.76Å; Q677-F684 HydrophobicContact CB-CB 4.42Å; Q677-F684 HydrophobicContact CB-CD1 3.99Å; Q677-F684 HydrophobicContact CB-CD2 4.07Å; Q677-F684 HydrophobicContact CB-CE1 4.26Å; Q677-F684 HydrophobicContact CB-CE2 4.34Å; Q677-F684 HydrophobicContact CB-CG 3.87Å; Q677-F684 HydrophobicContact CB-CZ 4.43Å; Q677-F684 HydrophobicContact CG-CD1 3.79Å; Q677-F684 HydrophobicContact CG-CE1 3.89Å; Q677-F684 HydrophobicContact CG-CG 4.2Å; Q677-F684 HydrophobicContact CG-CZ 4.41Å
678	L	81	Confident	86.7	Confident	122 Å²	122	46.1 Å²	46.1	64%	0.639	23%	0.233	S	C	*	.	H	α-helix	trans	-76	-36.9	178.4	-71.9	171.7	0	0	0	113.4	A674 F675 I676	A674-L678 WeakPolarHBondContact O-CB 3.42Å; A674-L678 VanDerWaalsContact O-CG 3.3Å; A674-L678 WeakPolarHBondContact O-CG 3.36Å; A674-L678 PolarHBondContact O-N 3.19Å; F675-L678 PolarHBondContact O-N 3.27Å; I676-L678 VanDerWaalsContact C-N 3.28Å; I676-L678 PolarHBondContact O-N 2.93Å
679	T	82.2	Confident	87.2	Confident	68 Å²	68	50.2 Å²	50.2	42%	0.417	26%	0.255	S	S	.	.	H	α-helix	trans	-85.6	-34.3	-174.7	50.8	0	0	0	0	113.5	F675 I676	F675-T679 HydrophobicContact CD1-CG2 4.39Å; F675-T679 HydrophobicContact CD2-CG2 4Å; F675-T679 HydrophobicContact CE1-CG2 4.04Å; F675-T679 HydrophobicContact CE2-CG2 3.62Å; F675-T679 HydrophobicContact CG-CG2 4.38Å; F675-T679 HydrophobicContact CZ-CG2 3.65Å; F675-T679 WeakPolarHBondContact O-CB 3.29Å; F675-T679 WeakPolarHBondContact O-CG2 3.3Å; F675-T679 PolarHBondContact O-N 3.13Å; F675-T679 PolarHBondContact O-OG1 3.11Å; I676-T679 WeakPolarHBondContact CA-OG1 3.39Å; I676-T679 PolarHBondContact O-N 3.25Å
680	N	85.6	Confident	87.5	Confident	48 Å²	48	48.5 Å²	48.5	26%	0.257	25%	0.249	S	C	.	.			trans	-152.6	90.4	176.4	-171.1	-16.9	0	0	0	110.9	I676 T682 A683 F684 N1008 I1011	I676-N680 CarbonylContact O-C 3.55Å; I676-N680 VanDerWaalsContact O-C 3.28Å; I676-N680 PolarHBondContact O-N 3.19Å; I676-N680 VanDerWaalsContact O-O 3.13Å; N680-T682 VanDerWaalsContact C-N 3.26Å; N680-T682 PolarHBondContact O-N 3.46Å; N680-T682 WeakPolarHBondContact OD1-CB 3.46Å; N680-T682 PolarHBondContact OD1-N 3.48Å; N680-A683 HydrophobicContact CB-CB 3.96Å; N680-A683 PolarHBondContact O-N 2.94Å; N680-A683 PolarHBondContact OD1-N 3.26Å; N680-F684 PolarHBondContact O-N 3Å; N680-N1008 PolarHBondContact ND2-OD1 3.4Å; N680-I1011 HydrophobicContact CB-CD1 3.56Å
681	E	87.4	Confident	87.7	Confident	129 Å²	129	49 Å²	49	60%	0.603	25%	0.252	S	S	*	.	H	α-helix	trans	-58.1	-37.7	178.9	-171.9	177.7	-175.8	0	0	112.5	F684 N685	E681-F684 PolarHBondContact O-N 3.49Å; E681-N685 WeakPolarHBondContact O-CB 3.46Å; E681-N685 VanDerWaalsContact O-CG 3.28Å; E681-N685 PolarHBondContact O-N 2.99Å; E681-N685 PolarHBondContact O-ND2 3.3Å
682	T	90	Very high	87.9	Confident	100 Å²	100	50.2 Å²	50.2	61%	0.613	27%	0.265	S	S	*	.	H	α-helix	trans	-62	-48.1	177.2	-53.8	0	0	0	0	111.2	N680 F684 N685 E686	N680-T682 VanDerWaalsContact C-N 3.26Å; N680-T682 PolarHBondContact O-N 3.46Å; N680-T682 WeakPolarHBondContact OD1-CB 3.46Å; N680-T682 PolarHBondContact OD1-N 3.48Å; T682-F684 VanDerWaalsContact C-N 3.31Å; T682-F684 PolarHBondContact O-N 3.41Å; T682-N685 PolarHBondContact O-N 3.28Å; T682-E686 WeakPolarHBondContact O-CG 3.24Å; T682-E686 PolarHBondContact O-N 3Å
683	A	89	Confident	88	Confident	6 Å²	6	52.9 Å²	52.9	5%	0.05	28%	0.279	C	S	.	.	H	α-helix	trans	-62.9	-39.8	177.3	0	0	0	0	0	111.8	N680 E686 L687 N1008	N680-A683 HydrophobicContact CB-CB 3.96Å; N680-A683 PolarHBondContact O-N 2.94Å; N680-A683 PolarHBondContact OD1-N 3.26Å; A683-E686 PolarHBondContact O-N 3.3Å; A683-L687 WeakPolarHBondContact O-CG 3.39Å; A683-L687 PolarHBondContact O-N 2.87Å; A683-N1008 WeakPolarHBondContact CB-ND2 3.35Å
684	F	91.4	Very high	87.8	Confident	3 Å²	3	52.9 Å²	52.9	1%	0.013	28%	0.279	C	S	.	.	H	α-helix	trans	-61.1	-45.6	175	174	-106.6	0	0	0	112.2	R673 I676 Q677 N680 E681 T682 E686 L687 R688	R673-F684 HydrophobicContact CG-CE2 3.75Å; R673-F684 HydrophobicContact CG-CZ 4.47Å; I676-F684 HydrophobicContact CG2-CB 4.36Å; I676-F684 HydrophobicContact CG2-CD2 3.81Å; Q677-F684 HydrophobicContact CB-CB 4.42Å; Q677-F684 HydrophobicContact CB-CD1 3.99Å; Q677-F684 HydrophobicContact CB-CD2 4.07Å; Q677-F684 HydrophobicContact CB-CE1 4.26Å; Q677-F684 HydrophobicContact CB-CE2 4.34Å; Q677-F684 HydrophobicContact CB-CG 3.87Å; Q677-F684 HydrophobicContact CB-CZ 4.43Å; Q677-F684 HydrophobicContact CG-CD1 3.79Å; Q677-F684 HydrophobicContact CG-CE1 3.89Å; Q677-F684 HydrophobicContact CG-CG 4.2Å; Q677-F684 HydrophobicContact CG-CZ 4.41Å; N680-F684 PolarHBondContact O-N 3Å; E681-F684 PolarHBondContact O-N 3.49Å; T682-F684 VanDerWaalsContact C-N 3.31Å; T682-F684 PolarHBondContact O-N 3.41Å; F684-E686 PolarHBondContact O-N 3.2Å; F684-L687 PolarHBondContact O-N 3.05Å; F684-R688 PolarHBondContact O-N 3.07Å
685	N	92.2	Very high	87.8	Confident	63 Å²	63	53.9 Å²	53.9	34%	0.337	28%	0.282	S	S	.	.	H	α-helix	trans	-63.2	-41.1	177.3	-72.4	-28	0	0	0	112.1	E681 T682 L687 R688 N689	E681-N685 WeakPolarHBondContact O-CB 3.46Å; E681-N685 VanDerWaalsContact O-CG 3.28Å; E681-N685 PolarHBondContact O-N 2.99Å; E681-N685 PolarHBondContact O-ND2 3.3Å; T682-N685 PolarHBondContact O-N 3.28Å; N685-L687 PolarHBondContact O-N 2.87Å; N685-R688 WeakPolarHBondContact O-CB 3.27Å; N685-R688 PolarHBondContact O-N 3.49Å; N685-N689 VanDerWaalsContact O-CG 3.24Å; N685-N689 PolarHBondContact O-N 3.24Å; N685-N689 PolarHBondContact O-ND2 3.43Å
686	E	92.3	Very high	87.9	Confident	96 Å²	96	54.6 Å²	54.6	45%	0.449	29%	0.288	S	S	.	.	H	α-helix	trans	-61.2	-42.4	174	-72.5	-57.9	141.3	0	0	112.2	T682 A683 F684 R688 N689 L690 I1004	T682-E686 WeakPolarHBondContact O-CG 3.24Å; T682-E686 PolarHBondContact O-N 3Å; A683-E686 PolarHBondContact O-N 3.3Å; F684-E686 PolarHBondContact O-N 3.2Å; E686-R688 VanDerWaalsContact C-N 3.33Å; E686-R688 PolarHBondContact O-N 2.85Å; E686-N689 WeakPolarHBondContact O-CB 3.47Å; E686-N689 PolarHBondContact O-N 3.06Å; E686-L690 PolarHBondContact O-N 3.49Å; E686-I1004 HydrophobicContact CB-CD1 3.83Å; E686-I1004 HydrophobicContact CB-CG1 4.18Å
687	L	91.8	Very high	87.8	Confident	3 Å²	3	54.6 Å²	54.6	2%	0.016	29%	0.288	C	S	.	.	H	α-helix	trans	-63.9	-38.5	174.2	-68.5	169.5	0	0	0	111.9	I676 A683 F684 N685 N689 L690 I842 I843 F846 M1001 I1004	I676-L687 HydrophobicContact CD1-CD1 3.48Å; I676-L687 VanDerWaalsContact CD1-CD1 3.48Å; A683-L687 WeakPolarHBondContact O-CG 3.39Å; A683-L687 PolarHBondContact O-N 2.87Å; F684-L687 PolarHBondContact O-N 3.05Å; N685-L687 PolarHBondContact O-N 2.87Å; L687-N689 VanDerWaalsContact C-N 3.31Å; L687-N689 PolarHBondContact O-N 3.22Å; L687-L690 WeakPolarHBondContact O-CB 3.45Å; L687-L690 PolarHBondContact O-N 2.77Å; L687-L690 VanDerWaalsContact O-N 3.11Å; L687-I842 HydrophobicContact CB-CG2 4.25Å; L687-I842 HydrophobicContact CD2-CG2 3.93Å; L687-I843 HydrophobicContact CB-CD1 4.39Å; L687-I843 HydrophobicContact CD1-CD1 3.82Å; L687-F846 HydrophobicContact CD1-CB 4.1Å; L687-F846 HydrophobicContact CD1-CD1 4.36Å; L687-F846 HydrophobicContact CD1-CD2 4.05Å; L687-F846 HydrophobicContact CD1-CG 3.9Å; L687-F846 HydrophobicContact CD2-CB 4.2Å; L687-F846 HydrophobicContact CD2-CD2 4.18Å; L687-F846 HydrophobicContact CD2-CG 4.43Å; L687-M1001 HydrophobicContact CD2-CE 3.89Å; L687-M1001 HydrophobicContact CD2-SD 3.78Å; L687-I1004 HydrophobicContact CD2-CD1 3.9Å; L687-I1004 HydrophobicContact CD2-CG2 3.95Å; L687-I1004 HydrophobicContact CG-CD1 4.34Å; L687-I1004 HydrophobicContact CG-CG2 4.09Å
688	R	90.9	Very high	87.6	Confident	79 Å²	79	53 Å²	53	30%	0.298	28%	0.28	S	S	.	.	H	α-helix	trans	-63.4	-37.8	175.6	-159.2	-178.9	-162.8	162.3	14.6	111.7	S408 D412 F684 N685 E686 L690 V691	S408-R688 PolarHBondContact OG-NH2 2.92Å; D412-R688 IonicContact OD2-CZ 3.3Å; D412-R688 IonicContact OD2-NH1 3.1Å; D412-R688 PolarHBondContact OD2-NH1 3.12Å; D412-R688 IonicContact OD2-NH2 3.14Å; D412-R688 PolarHBondContact OD2-NH2 3.38Å; F684-R688 PolarHBondContact O-N 3.07Å; N685-R688 WeakPolarHBondContact O-CB 3.27Å; N685-R688 PolarHBondContact O-N 3.49Å; E686-R688 VanDerWaalsContact C-N 3.33Å; E686-R688 PolarHBondContact O-N 2.85Å; R688-L690 PolarHBondContact O-N 2.77Å; R688-V691 WeakPolarHBondContact O-CB 3.16Å; R688-V691 WeakPolarHBondContact O-CG2 3.33Å; R688-V691 PolarHBondContact O-N 3.49Å; R688-V691 VanDerWaalsContact O-N 3.13Å
689	N	92	Very high	87.7	Confident	99 Å²	99	49.3 Å²	49.3	53%	0.529	26%	0.262	S	S	.	.	H	α-helix	trans	-66.4	-18.3	175.4	-68.2	-21.3	0	0	0	113.2	N685 E686 L687 P692	N685-N689 VanDerWaalsContact O-CG 3.24Å; N685-N689 PolarHBondContact O-N 3.24Å; N685-N689 PolarHBondContact O-ND2 3.43Å; E686-N689 WeakPolarHBondContact O-CB 3.47Å; E686-N689 PolarHBondContact O-N 3.06Å; L687-N689 VanDerWaalsContact C-N 3.31Å; L687-N689 PolarHBondContact O-N 3.22Å; N689-P692 WeakPolarHBondContact O-CD 3.3Å
690	L	90.6	Very high	87.8	Confident	7 Å²	7	48 Å²	48	4%	0.037	25%	0.251	C	S	.	.	H	α-helix	trans	-82	-14.4	173.7	-64	-178.7	0	0	0	114	E686 L687 R688 N693 Y694 I842 F997 M1001 I1004	E686-L690 PolarHBondContact O-N 3.49Å; L687-L690 WeakPolarHBondContact O-CB 3.45Å; L687-L690 PolarHBondContact O-N 2.77Å; L687-L690 VanDerWaalsContact O-N 3.11Å; R688-L690 PolarHBondContact O-N 2.77Å; L690-N693 PolarHBondContact O-N 3.01Å; L690-Y694 WeakPolarHBondContact O-CB 3.09Å; L690-Y694 PolarHBondContact O-N 3.46Å; L690-I842 HydrophobicContact CB-CD1 4.11Å; L690-F997 HydrophobicContact CB-CD2 4.46Å; L690-F997 HydrophobicContact CB-CE2 4.18Å; L690-F997 HydrophobicContact CD1-CE2 4.37Å; L690-M1001 HydrophobicContact CD1-SD 3.98Å; L690-I1004 HydrophobicContact CD1-CD1 3.63Å; L690-I1004 HydrophobicContact CG-CD1 4.38Å
691	V	89	Confident	87.7	Confident	16 Å²	16	45.8 Å²	45.8	10%	0.097	24%	0.239	C	C	.	.	H	α-helix	trans	-55.3	-50.9	-179.1	172.2	0	0	0	0	112.4	R688 N693 Y694 D695 P835 I838 E839 I842	R688-V691 WeakPolarHBondContact O-CB 3.16Å; R688-V691 WeakPolarHBondContact O-CG2 3.33Å; R688-V691 PolarHBondContact O-N 3.49Å; R688-V691 VanDerWaalsContact O-N 3.13Å; V691-N693 PolarHBondContact O-N 3.39Å; V691-Y694 PolarHBondContact O-N 2.93Å; V691-D695 PolarHBondContact O-N 3.36Å; V691-P835 HydrophobicContact CG1-CB 4.38Å; V691-I838 HydrophobicContact CG1-CB 4.33Å; V691-I838 HydrophobicContact CG1-CG2 3.93Å; V691-E839 HydrophobicContact CG2-CB 3.91Å; V691-E839 HydrophobicContact CG2-CG 4.15Å; V691-I842 HydrophobicContact CB-CD1 4.3Å; V691-I842 HydrophobicContact CG2-CD1 3.83Å
692	P	87.8	Confident	87.4	Confident	77 Å²	77	41.5 Å²	41.5	50%	0.5	22%	0.219	S	C	.	.	H	α-helix	trans	-62.9	-43.3	178.5	-20.8	33.8	0	0	0	112.3	N689 Y694 D695 D696	N689-P692 WeakPolarHBondContact O-CD 3.3Å; P692-Y694 VanDerWaalsContact C-N 3.25Å; P692-Y694 PolarHBondContact O-N 3.45Å; P692-D695 PolarHBondContact O-N 2.83Å; P692-D696 VanDerWaalsContact O-CB 3.31Å; P692-D696 WeakPolarHBondContact O-CB 3.47Å; P692-D696 PolarHBondContact O-N 3.48Å
693	N	86.5	Confident	87.1	Confident	79 Å²	79	38.5 Å²	38.5	42%	0.422	20%	0.202	S	C	.	.	H	α-helix	trans	-61.1	-36.6	-179.7	-65.9	-19.1	0	0	0	112.1	L690 V691 D696 L697	L690-N693 PolarHBondContact O-N 3.01Å; V691-N693 PolarHBondContact O-N 3.39Å; N693-D696 WeakPolarHBondContact O-CB 2.93Å; N693-L697 PolarHBondContact O-N 3.48Å; N693-L697 VanDerWaalsContact O-N 3.09Å
694	Y	85.6	Confident	87	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-76.3	-38.9	178.2	-176.9	-97.3	0	0	0	112.6	L690 V691 P692 D696 L697 R698 F763 Y764 I838 I842 L845 F997	L690-Y694 WeakPolarHBondContact O-CB 3.09Å; L690-Y694 PolarHBondContact O-N 3.46Å; V691-Y694 PolarHBondContact O-N 2.93Å; P692-Y694 VanDerWaalsContact C-N 3.25Å; P692-Y694 PolarHBondContact O-N 3.45Å; Y694-D696 VanDerWaalsContact C-N 3.3Å; Y694-L697 WeakPolarHBondContact O-CB 3.17Å; Y694-L697 PolarHBondContact O-N 2.88Å; Y694-R698 HydrophobicContact CE1-CG 4.33Å; Y694-R698 PolarHBondContact O-N 3.26Å; Y694-R698 PolarHBondContact OH-NH2 2.79Å; Y694-F763 VanDerWaalsContact OH-C 3.31Å; Y694-F763 PolarHBondContact OH-O 2.92Å; Y694-Y764 HydrophobicContact CD2-CD1 4.37Å; Y694-Y764 HydrophobicContact CD2-CE1 4.19Å; Y694-Y764 AromaticContact CE2-CD1 3.73Å; Y694-Y764 HydrophobicContact CE2-CD1 3.73Å; Y694-Y764 AromaticContact CE2-CE1 3.73Å; Y694-Y764 HydrophobicContact CE2-CE1 3.73Å; Y694-I838 HydrophobicContact CD1-CG2 3.45Å; Y694-I838 VanDerWaalsContact CD1-CG2 3.45Å; Y694-I838 HydrophobicContact CE1-CG2 4Å; Y694-I838 HydrophobicContact CG-CG2 4.45Å; Y694-I842 HydrophobicContact CD1-CD1 4.44Å; Y694-I842 HydrophobicContact CD1-CG1 4.36Å; Y694-I842 HydrophobicContact CG-CD1 4.18Å; Y694-I842 HydrophobicContact CG-CG1 4.24Å; Y694-L845 HydrophobicContact CE2-CD1 4.09Å; Y694-F997 HydrophobicContact CD2-CD1 4.36Å; Y694-F997 HydrophobicContact CD2-CD2 4.11Å; Y694-F997 AromaticContact CD2-CE1 3.86Å; Y694-F997 HydrophobicContact CD2-CE1 3.86Å; Y694-F997 AromaticContact CD2-CE2 3.58Å; Y694-F997 HydrophobicContact CD2-CE2 3.58Å; Y694-F997 HydrophobicContact CD2-CG 4.48Å; Y694-F997 AromaticContact CD2-CZ 3.44Å; Y694-F997 HydrophobicContact CD2-CZ 3.44Å; Y694-F997 VanDerWaalsContact CD2-CZ 3.44Å; Y694-F997 HydrophobicContact CE2-CE1 4.21Å; Y694-F997 HydrophobicContact CE2-CZ 4Å; Y694-F997 HydrophobicContact CG-CE2 4.06Å; Y694-F997 HydrophobicContact CG-CZ 4.29Å
695	D	83.4	Confident	86.5	Confident	41 Å²	41	41.4 Å²	41.4	22%	0.219	21%	0.214	C	C	.	.	H	α-helix	trans	-60.8	-43.3	170.9	-171.6	58.6	0	0	0	111	V691 P692 L697 R698 N699 I838	V691-D695 PolarHBondContact O-N 3.36Å; P692-D695 PolarHBondContact O-N 2.83Å; D695-L697 VanDerWaalsContact C-N 3.29Å; D695-L697 PolarHBondContact O-N 3.32Å; D695-R698 WeakPolarHBondContact O-CB 3.38Å; D695-R698 PolarHBondContact O-N 3.49Å; D695-R698 VanDerWaalsContact O-N 3.13Å; D695-N699 PolarHBondContact O-N 3.36Å; D695-N699 PolarHBondContact O-ND2 3.19Å; D695-N699 VanDerWaalsContact O-ND2 3.17Å; D695-N699 PolarHBondContact OD2-ND2 3.1Å; D695-I838 HydrophobicContact CB-CD1 3.92Å; D695-I838 WeakPolarHBondContact OD1-CD1 3.48Å
696	D	85	Confident	86.1	Confident	65 Å²	65	43.8 Å²	43.8	35%	0.348	22%	0.223	S	C	.	.	H	α-helix	trans	-57	-40.2	173.5	-105.3	-32.6	0	0	0	113	P692 N693 Y694 Q700 R993	P692-D696 VanDerWaalsContact O-CB 3.31Å; P692-D696 WeakPolarHBondContact O-CB 3.47Å; P692-D696 PolarHBondContact O-N 3.48Å; N693-D696 WeakPolarHBondContact O-CB 2.93Å; Y694-D696 VanDerWaalsContact C-N 3.3Å; D696-Q700 VanDerWaalsContact O-CG 3.31Å; D696-Q700 WeakPolarHBondContact O-CG 3.49Å; D696-Q700 PolarHBondContact O-N 3.41Å; D696-R993 PolarHBondContact O-NH1 3.39Å; D696-R993 IonicContact OD1-CZ 3.95Å; D696-R993 IonicContact OD1-NH1 2.68Å; D696-R993 PolarHBondContact OD1-NH1 3.2Å; D696-R993 IonicContact OD1-NH2 3.23Å; D696-R993 IonicContact OD2-NH1 3.09Å
697	L	84.7	Confident	85.8	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-67.1	-43.2	175.7	175.1	62.7	0	0	0	111.4	N693 Y694 D695 Q700 L701 Y764 R993 L994	N693-L697 PolarHBondContact O-N 3.48Å; N693-L697 VanDerWaalsContact O-N 3.09Å; Y694-L697 WeakPolarHBondContact O-CB 3.17Å; Y694-L697 PolarHBondContact O-N 2.88Å; D695-L697 VanDerWaalsContact C-N 3.29Å; D695-L697 PolarHBondContact O-N 3.32Å; L697-Q700 PolarHBondContact O-N 3.37Å; L697-L701 PolarHBondContact O-N 2.96Å; L697-L701 VanDerWaalsContact O-N 3.1Å; L697-Y764 HydrophobicContact CD2-CD1 3.4Å; L697-Y764 VanDerWaalsContact CD2-CD1 3.4Å; L697-Y764 HydrophobicContact CD2-CE1 3.55Å; L697-Y764 HydrophobicContact CG-CD1 4.32Å; L697-R993 HydrophobicContact CD1-CB 4.2Å; L697-L994 HydrophobicContact CD1-CB 3.96Å; L697-L994 HydrophobicContact CD2-CB 4.43Å; L697-L994 HydrophobicContact CD2-CD1 3.78Å
698	R	81.9	Confident	85.5	Confident	11 Å²	11	40.7 Å²	40.7	4%	0.042	21%	0.209	C	C	.	.	H	α-helix	trans	-60.9	-46.6	175.7	-75.7	175	163.3	-107.1	-6.6	111.7	Y694 D695 Q700 L701 I702 F763 T766 F768 Q841	Y694-R698 HydrophobicContact CE1-CG 4.33Å; Y694-R698 PolarHBondContact O-N 3.26Å; Y694-R698 PolarHBondContact OH-NH2 2.79Å; D695-R698 WeakPolarHBondContact O-CB 3.38Å; D695-R698 PolarHBondContact O-N 3.49Å; D695-R698 VanDerWaalsContact O-N 3.13Å; R698-Q700 VanDerWaalsContact C-N 3.25Å; R698-Q700 PolarHBondContact O-N 3.27Å; R698-L701 WeakPolarHBondContact O-CB 3.43Å; R698-L701 PolarHBondContact O-N 2.93Å; R698-L701 VanDerWaalsContact O-N 3.08Å; R698-I702 WeakPolarHBondContact O-CG1 3.42Å; R698-I702 PolarHBondContact O-N 3.29Å; R698-F763 PolarHBondContact NH2-O 3.47Å; R698-T766 PolarHBondContact NH1-OG1 3.1Å; R698-T766 VanDerWaalsContact NH2-CG2 3.3Å; R698-T766 PolarHBondContact NH2-OG1 2.91Å; R698-F768 HydrophobicContact CB-CE2 4.48Å; R698-Q841 VanDerWaalsContact CZ-OE1 3.26Å
699	N	82.6	Confident	85.1	Confident	46 Å²	46	41.2 Å²	41.2	25%	0.246	22%	0.215	C	C	.	.	H	α-helix	trans	-60	-35.7	178.1	-69.6	-36.3	0	0	0	112	D695 I702 S703 Q833	D695-N699 PolarHBondContact O-N 3.36Å; D695-N699 PolarHBondContact O-ND2 3.19Å; D695-N699 VanDerWaalsContact O-ND2 3.17Å; D695-N699 PolarHBondContact OD2-ND2 3.1Å; N699-I702 PolarHBondContact O-N 2.97Å; N699-S703 PolarHBondContact O-N 3.46Å; N699-Q833 PolarHBondContact OD1-NE2 3.46Å
700	Q	85.1	Confident	84.7	Confident	41 Å²	41	41.7 Å²	41.7	19%	0.192	21%	0.214	C	C	.	.	H	α-helix	trans	-68.8	-38.8	173.6	-68.7	-60.7	-20.8	0	0	113	D696 L697 R698 I702 S703 I704 T989 C990	D696-Q700 VanDerWaalsContact O-CG 3.31Å; D696-Q700 WeakPolarHBondContact O-CG 3.49Å; D696-Q700 PolarHBondContact O-N 3.41Å; L697-Q700 PolarHBondContact O-N 3.37Å; R698-Q700 VanDerWaalsContact C-N 3.25Å; R698-Q700 PolarHBondContact O-N 3.27Å; Q700-I702 VanDerWaalsContact C-N 3.31Å; Q700-I702 PolarHBondContact O-N 3.4Å; Q700-S703 WeakPolarHBondContact O-CB 3.25Å; Q700-S703 PolarHBondContact O-N 3.26Å; Q700-I704 WeakPolarHBondContact O-CG1 3.45Å; Q700-I704 PolarHBondContact O-N 3.06Å; Q700-T989 HydrophobicContact CG-CG2 4.39Å; Q700-C990 HydrophobicContact CB-CB 4.19Å
701	L	83.1	Confident	84.4	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-64.1	-37.4	174.3	-73.9	164.3	0	0	0	112.1	L697 R698 I704 K705 Y764 L856	L697-L701 PolarHBondContact O-N 2.96Å; L697-L701 VanDerWaalsContact O-N 3.1Å; R698-L701 WeakPolarHBondContact O-CB 3.43Å; R698-L701 PolarHBondContact O-N 2.93Å; R698-L701 VanDerWaalsContact O-N 3.08Å; L701-I704 PolarHBondContact O-N 3.39Å; L701-K705 PolarHBondContact O-N 2.66Å; L701-Y764 VanDerWaalsContact CD1-O 3.23Å; L701-Y764 WeakPolarHBondContact CD1-O 3.44Å; L701-L856 HydrophobicContact CD1-CD2 4.1Å; L701-L856 HydrophobicContact CD2-CD1 4.15Å; L701-L856 HydrophobicContact CD2-CD2 4.22Å
702	I	80.4	Confident	84.1	Confident	38 Å²	38	43.1 Å²	43.1	20%	0.195	22%	0.22	C	C	.	.	H	α-helix	trans	-62	-44.7	172.5	-64.6	168.4	0	0	0	110.6	R698 N699 Q700 I704 K705 Q706 F768	R698-I702 WeakPolarHBondContact O-CG1 3.42Å; R698-I702 PolarHBondContact O-N 3.29Å; N699-I702 PolarHBondContact O-N 2.97Å; Q700-I702 VanDerWaalsContact C-N 3.31Å; Q700-I702 PolarHBondContact O-N 3.4Å; I702-I704 PolarHBondContact O-N 2.93Å; I702-K705 WeakPolarHBondContact O-CB 2.88Å; I702-K705 PolarHBondContact O-N 3.48Å; I702-Q706 HydrophobicContact CG2-CG 4.46Å; I702-Q706 WeakPolarHBondContact O-CG 3.21Å; I702-Q706 PolarHBondContact O-N 3.17Å; I702-F768 HydrophobicContact CD1-CD1 3.95Å; I702-F768 HydrophobicContact CD1-CE1 3.38Å; I702-F768 HydrophobicContact CD1-CE2 4.46Å; I702-F768 HydrophobicContact CD1-CZ 3.68Å; I702-F768 HydrophobicContact CG1-CD1 3.55Å; I702-F768 HydrophobicContact CG1-CD2 4.26Å; I702-F768 HydrophobicContact CG1-CE1 3.51Å; I702-F768 HydrophobicContact CG1-CE2 4.25Å; I702-F768 HydrophobicContact CG1-CG 3.95Å; I702-F768 HydrophobicContact CG1-CZ 3.89Å
703	S	84	Confident	83.7	Confident	37 Å²	37	43 Å²	43	26%	0.259	21%	0.214	S	C	.	.	H	α-helix	trans	-59.2	-45.6	176.4	-179.5	0	0	0	0	111.8	N699 Q700 K705 Q706 L707	N699-S703 PolarHBondContact O-N 3.46Å; Q700-S703 WeakPolarHBondContact O-CB 3.25Å; Q700-S703 PolarHBondContact O-N 3.26Å; S703-K705 VanDerWaalsContact C-N 3.32Å; S703-K705 PolarHBondContact O-N 3.3Å; S703-Q706 PolarHBondContact O-N 2.87Å; S703-L707 WeakPolarHBondContact O-CG 3.35Å; S703-L707 PolarHBondContact O-N 3Å
704	I	85.8	Confident	83.5	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-57.6	-46	174.8	-68.9	167	0	0	0	110.7	Q700 L701 I702 Q706 L707 L708 F750 L860 L983 A986 I987 C990	Q700-I704 WeakPolarHBondContact O-CG1 3.45Å; Q700-I704 PolarHBondContact O-N 3.06Å; L701-I704 PolarHBondContact O-N 3.39Å; I702-I704 PolarHBondContact O-N 2.93Å; I704-Q706 PolarHBondContact O-N 3.13Å; I704-L707 PolarHBondContact O-N 3.24Å; I704-L708 HydrophobicContact CG2-CD1 3.95Å; I704-L708 HydrophobicContact CG2-CG 4.4Å; I704-L708 WeakPolarHBondContact O-CB 3.41Å; I704-L708 VanDerWaalsContact O-CG 3.26Å; I704-L708 WeakPolarHBondContact O-CG 3.37Å; I704-L708 PolarHBondContact O-N 3.01Å; I704-F750 HydrophobicContact CG2-CE1 4.07Å; I704-F750 HydrophobicContact CG2-CZ 4.14Å; I704-L860 HydrophobicContact CD1-CD2 4.2Å; I704-L983 HydrophobicContact CG2-CD1 4.08Å; I704-A986 HydrophobicContact CG1-CB 3.91Å; I704-I987 HydrophobicContact CD1-CG1 3.95Å; I704-I987 HydrophobicContact CG1-CG1 4.17Å; I704-I987 HydrophobicContact CG2-CG1 4.43Å; I704-C990 HydrophobicContact CD1-CB 3.68Å
705	K	81.8	Confident	83.4	Confident	69 Å²	69	39.6 Å²	39.6	30%	0.3	20%	0.197	S	C	.	.	H	α-helix	trans	-58.5	-47.1	176.4	-178.3	-157.7	170.2	-175.7	0	111.8	L701 I702 S703 L708 H709 F768 F769	L701-K705 PolarHBondContact O-N 2.66Å; I702-K705 WeakPolarHBondContact O-CB 2.88Å; I702-K705 PolarHBondContact O-N 3.48Å; S703-K705 VanDerWaalsContact C-N 3.32Å; S703-K705 PolarHBondContact O-N 3.3Å; K705-L708 PolarHBondContact O-N 2.77Å; K705-H709 PolarHBondContact O-N 3.23Å; K705-F768 HydrophobicContact CD-CB 4.36Å; K705-F768 WeakPolarHBondContact CD-O 3.17Å; K705-F768 WeakPolarHBondContact CE-O 3.25Å; K705-F768 PolarHBondContact NZ-O 2.99Å; K705-F769 HydrophobicContact CB-CD1 4.27Å; K705-F769 HydrophobicContact CB-CE1 3.56Å; K705-F769 HydrophobicContact CB-CZ 3.78Å; K705-F769 HydrophobicContact CG-CD1 3.94Å; K705-F769 HydrophobicContact CG-CE1 3.72Å; K705-F769 HydrophobicContact CG-CZ 4.35Å
706	Q	83.1	Confident	83.1	Confident	114 Å²	114	41.4 Å²	41.4	53%	0.533	20%	0.201	S	C	.	.	H	α-helix	trans	-61.6	-46.9	179.9	-72.8	172.5	-12.9	0	0	110.9	I702 S703 I704 L708 H709 E710	I702-Q706 HydrophobicContact CG2-CG 4.46Å; I702-Q706 WeakPolarHBondContact O-CG 3.21Å; I702-Q706 PolarHBondContact O-N 3.17Å; S703-Q706 PolarHBondContact O-N 2.87Å; I704-Q706 PolarHBondContact O-N 3.13Å; Q706-L708 PolarHBondContact O-N 3.33Å; Q706-H709 PolarHBondContact O-N 2.93Å; Q706-H709 VanDerWaalsContact O-N 3.16Å; Q706-E710 WeakPolarHBondContact O-CG 3.5Å; Q706-E710 PolarHBondContact O-N 3.44Å
707	L	86.4	Confident	82.7	Confident	23 Å²	23	45 Å²	45	12%	0.12	21%	0.21	C	C	.	.	H	α-helix	trans	-61	-41.9	177	-72.2	169.3	0	0	0	112.2	S703 I704 H709 E710 I711 K982 L983 A986	S703-L707 WeakPolarHBondContact O-CG 3.35Å; S703-L707 PolarHBondContact O-N 3Å; I704-L707 PolarHBondContact O-N 3.24Å; L707-H709 VanDerWaalsContact C-N 3.32Å; L707-H709 PolarHBondContact O-N 3.18Å; L707-E710 PolarHBondContact O-N 3.18Å; L707-I711 WeakPolarHBondContact O-CD1 3.43Å; L707-I711 WeakPolarHBondContact O-CG1 3.25Å; L707-I711 PolarHBondContact O-N 3.11Å; L707-K982 HydrophobicContact CD2-CB 4.38Å; L707-L983 HydrophobicContact CB-CD1 4.01Å; L707-A986 HydrophobicContact CD1-CB 3.88Å
708	L	86.2	Confident	82.5	Confident	10 Å²	10	46 Å²	46	5%	0.052	22%	0.215	C	C	.	.	H	α-helix	trans	-60.1	-43.6	174.9	-72.4	169.4	0	0	0	111.7	I704 K705 Q706 I711 E712 I747 F750 L754 F769 L983	I704-L708 HydrophobicContact CG2-CD1 3.95Å; I704-L708 HydrophobicContact CG2-CG 4.4Å; I704-L708 WeakPolarHBondContact O-CB 3.41Å; I704-L708 VanDerWaalsContact O-CG 3.26Å; I704-L708 WeakPolarHBondContact O-CG 3.37Å; I704-L708 PolarHBondContact O-N 3.01Å; K705-L708 PolarHBondContact O-N 2.77Å; Q706-L708 PolarHBondContact O-N 3.33Å; L708-I711 PolarHBondContact O-N 3.13Å; L708-E712 WeakPolarHBondContact O-CB 3.47Å; L708-E712 PolarHBondContact O-N 3.31Å; L708-I747 HydrophobicContact CD2-CG1 4.34Å; L708-I747 HydrophobicContact CD2-CG2 4.16Å; L708-F750 HydrophobicContact CD1-CD1 3.73Å; L708-F750 HydrophobicContact CD1-CE1 3.75Å; L708-F750 HydrophobicContact CD2-CD1 3.61Å; L708-F750 HydrophobicContact CD2-CE1 4Å; L708-F750 HydrophobicContact CG-CD1 4.27Å; L708-F750 HydrophobicContact CG-CE1 4.33Å; L708-L754 HydrophobicContact CD1-CD1 4.41Å; L708-F769 HydrophobicContact CD1-CE1 4.38Å; L708-L983 HydrophobicContact CD2-CD1 4.17Å; L708-L983 HydrophobicContact CD2-CD2 3.71Å; L708-L983 HydrophobicContact CG-CD1 4.14Å
709	H	82.2	Confident	82.3	Confident	91 Å²	91	46.6 Å²	46.6	42%	0.421	22%	0.218	S	C	.	.	H	α-helix	trans	-68.2	-39.6	179	-170.6	52.4	0	0	0	112.8	K705 Q706 L707 I711 E712 I713	K705-H709 PolarHBondContact O-N 3.23Å; Q706-H709 PolarHBondContact O-N 2.93Å; Q706-H709 VanDerWaalsContact O-N 3.16Å; L707-H709 VanDerWaalsContact C-N 3.32Å; L707-H709 PolarHBondContact O-N 3.18Å; H709-I711 VanDerWaalsContact C-N 3.3Å; H709-I711 PolarHBondContact O-N 3.39Å; H709-E712 IonicContact ND1-OE2 3.68Å; H709-E712 PolarHBondContact O-N 3.24Å; H709-I713 VanDerWaalsContact NE2-CD1 3.29Å; H709-I713 WeakPolarHBondContact NE2-CD1 3.29Å; H709-I713 WeakPolarHBondContact O-CG1 3.3Å; H709-I713 PolarHBondContact O-N 2.82Å
710	E	83.8	Confident	81.9	Confident	108 Å²	108	49.6 Å²	49.6	51%	0.505	23%	0.226	S	C	.	.	H	α-helix	trans	-64.5	-34.2	174.8	-75.4	-176.7	-178	0	0	113	Q706 L707 G714 K979	Q706-E710 WeakPolarHBondContact O-CG 3.5Å; Q706-E710 PolarHBondContact O-N 3.44Å; L707-E710 PolarHBondContact O-N 3.18Å; E710-G714 PolarHBondContact O-N 3.34Å; E710-G714 VanDerWaalsContact O-N 3.1Å; E710-K979 PolarHBondContact O-NZ 2.85Å
711	I	84.3	Confident	81.2	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-71	-46.8	173.9	-64.9	162.8	0	0	0	109.5	L707 L708 H709 I713 G714 I715 L743 I747 Y976 K979 L980 L983	L707-I711 WeakPolarHBondContact O-CD1 3.43Å; L707-I711 WeakPolarHBondContact O-CG1 3.25Å; L707-I711 PolarHBondContact O-N 3.11Å; L708-I711 PolarHBondContact O-N 3.13Å; H709-I711 VanDerWaalsContact C-N 3.3Å; H709-I711 PolarHBondContact O-N 3.39Å; I711-I713 PolarHBondContact O-N 2.86Å; I711-G714 PolarHBondContact O-N 2.97Å; I711-G714 VanDerWaalsContact O-N 3.16Å; I711-I715 HydrophobicContact CG2-CD1 3.72Å; I711-I715 HydrophobicContact CG2-CG1 4.16Å; I711-I715 VanDerWaalsContact O-CG1 3.28Å; I711-I715 WeakPolarHBondContact O-CG1 3.45Å; I711-I715 PolarHBondContact O-N 3.35Å; I711-L743 HydrophobicContact CG2-CD2 4.24Å; I711-I747 HydrophobicContact CB-CD1 4.04Å; I711-I747 HydrophobicContact CG2-CD1 3.33Å; I711-Y976 HydrophobicContact CG2-CD1 4.23Å; I711-Y976 HydrophobicContact CG2-CE1 4.28Å; I711-K979 HydrophobicContact CD1-CB 4.26Å; I711-K979 HydrophobicContact CG1-CB 3.89Å; I711-K979 HydrophobicContact CG1-CD 4.1Å; I711-L980 HydrophobicContact CD1-CD2 4.23Å; I711-L983 HydrophobicContact CD1-CB 4.26Å; I711-L983 HydrophobicContact CD1-CD2 3.77Å
712	E	83.1	Confident	80.6	Confident	52 Å²	52	53 Å²	53	24%	0.243	24%	0.242	C	C	.	.	H	α-helix	trans	-55.2	-51.8	177.7	-175.2	178.8	-160.3	0	0	112	L708 H709 G714 I715 W716 K751	L708-E712 WeakPolarHBondContact O-CB 3.47Å; L708-E712 PolarHBondContact O-N 3.31Å; H709-E712 IonicContact ND1-OE2 3.68Å; H709-E712 PolarHBondContact O-N 3.24Å; E712-G714 VanDerWaalsContact C-N 3.32Å; E712-G714 PolarHBondContact O-N 3.48Å; E712-I715 PolarHBondContact O-N 3.06Å; E712-W716 PolarHBondContact O-N 3.43Å; E712-W716 VanDerWaalsContact O-N 3.12Å; E712-K751 IonicContact OE2-NZ 3.35Å
713	I	79.3	Confident	80.2	Confident	76 Å²	76	54 Å²	54	39%	0.39	25%	0.248	S	C	.	.	H	α-helix	trans	-62	-41.1	176.6	-69.1	168.9	0	0	0	111.4	H709 I711 W716 R717	H709-I713 VanDerWaalsContact NE2-CD1 3.29Å; H709-I713 WeakPolarHBondContact NE2-CD1 3.29Å; H709-I713 WeakPolarHBondContact O-CG1 3.3Å; H709-I713 PolarHBondContact O-N 2.82Å; I711-I713 PolarHBondContact O-N 2.86Å; I713-W716 PolarHBondContact O-N 3.3Å; I713-R717 PolarHBondContact O-N 3.15Å; I713-R717 VanDerWaalsContact O-N 3.14Å
714	G	82.1	Confident	79.5	Confident	6 Å²	6	59.2 Å²	59.2	6%	0.062	27%	0.268	C	S	.	.	H	α-helix	trans	-59.7	-53.2	178.2	0	0	0	0	0	111.2	E710 I711 E712 W716 R717 D718 Y976	E710-G714 PolarHBondContact O-N 3.34Å; E710-G714 VanDerWaalsContact O-N 3.1Å; I711-G714 PolarHBondContact O-N 2.97Å; I711-G714 VanDerWaalsContact O-N 3.16Å; E712-G714 VanDerWaalsContact C-N 3.32Å; E712-G714 PolarHBondContact O-N 3.48Å; G714-W716 PolarHBondContact O-N 3.27Å; G714-R717 WeakPolarHBondContact O-CB 3.28Å; G714-R717 PolarHBondContact O-N 3.29Å; G714-D718 PolarHBondContact O-N 2.93Å; G714-Y976 PolarHBondContact O-OH 3.35Å
715	I	82.6	Confident	78.5	Confident	0 Å²	0	62 Å²	62	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-55.2	-43.6	179.5	-64.7	164.9	0	0	0	110.6	I711 E712 R717 D718 Q719 F740 L743 I744 I747 Y976	I711-I715 HydrophobicContact CG2-CD1 3.72Å; I711-I715 HydrophobicContact CG2-CG1 4.16Å; I711-I715 VanDerWaalsContact O-CG1 3.28Å; I711-I715 WeakPolarHBondContact O-CG1 3.45Å; I711-I715 PolarHBondContact O-N 3.35Å; E712-I715 PolarHBondContact O-N 3.06Å; I715-R717 VanDerWaalsContact C-N 3.3Å; I715-R717 PolarHBondContact O-N 3.39Å; I715-D718 PolarHBondContact O-N 3.29Å; I715-Q719 WeakPolarHBondContact O-CB 3.3Å; I715-Q719 PolarHBondContact O-N 2.84Å; I715-F740 HydrophobicContact CB-CD1 4.34Å; I715-F740 HydrophobicContact CG1-CD1 4.25Å; I715-F740 HydrophobicContact CG2-CB 3.69Å; I715-F740 HydrophobicContact CG2-CD1 3.58Å; I715-F740 HydrophobicContact CG2-CE1 4.4Å; I715-F740 HydrophobicContact CG2-CG 3.82Å; I715-L743 HydrophobicContact CD1-CB 3.98Å; I715-L743 HydrophobicContact CD1-CD2 3.52Å; I715-L743 HydrophobicContact CD1-CG 3.61Å; I715-L743 HydrophobicContact CG1-CD2 4.03Å; I715-I744 HydrophobicContact CB-CG1 4.41Å; I715-I744 HydrophobicContact CD1-CG1 4.18Å; I715-I744 HydrophobicContact CG2-CD1 3.67Å; I715-I744 HydrophobicContact CG2-CG1 3.66Å; I715-I747 HydrophobicContact CD1-CD1 3.75Å; I715-Y976 WeakPolarHBondContact CA-OH 3.4Å; I715-Y976 HydrophobicContact CG1-CD1 4.33Å; I715-Y976 HydrophobicContact CG1-CE1 3.52Å; I715-Y976 PolarHBondContact N-OH 3.45Å
716	W	77.2	Confident	77.2	Confident	79 Å²	79	63.2 Å²	63.2	30%	0.299	30%	0.295	S	S	.	.	H	α-helix	trans	-63.7	-35.1	-179.8	-172.5	72.8	0	0	0	113.7	E712 I713 G714 Y781	E712-W716 PolarHBondContact O-N 3.43Å; E712-W716 VanDerWaalsContact O-N 3.12Å; I713-W716 PolarHBondContact O-N 3.3Å; G714-W716 PolarHBondContact O-N 3.27Å; W716-Y781 AromaticContact CD1-CD1 3.64Å; W716-Y781 AromaticContact CD1-CE1 3.48Å; W716-Y781 VanDerWaalsContact CD1-CE1 3.48Å; W716-Y781 HydrophobicContact CD2-CE1 4.08Å; W716-Y781 AromaticContact CE2-CD1 3.8Å; W716-Y781 AromaticContact CE2-CE1 3.44Å; W716-Y781 VanDerWaalsContact CE2-CE1 3.44Å; W716-Y781 HydrophobicContact CG-CE1 4.1Å; W716-Y781 HydrophobicContact CZ2-CD1 4.26Å; W716-Y781 AromaticContact CZ2-CE1 3.92Å; W716-Y781 HydrophobicContact CZ2-CE1 3.92Å; W716-Y781 AromaticContact NE1-CD1 3.05Å; W716-Y781 AromaticContact NE1-CE1 3.06Å
717	R	78.2	Confident	75.8	Confident	142 Å²	142	63.1 Å²	63.1	54%	0.536	31%	0.305	S	S	.	.	H	α-helix	trans	-66.7	-52.3	174.2	-173.9	-176.7	-59.9	165.1	2.1	110.8	I713 G714 I715 Q719 R720 E721	I713-R717 PolarHBondContact O-N 3.15Å; I713-R717 VanDerWaalsContact O-N 3.14Å; G714-R717 WeakPolarHBondContact O-CB 3.28Å; G714-R717 PolarHBondContact O-N 3.29Å; I715-R717 VanDerWaalsContact C-N 3.3Å; I715-R717 PolarHBondContact O-N 3.39Å; R717-Q719 PolarHBondContact O-N 3.11Å; R717-R720 PolarHBondContact O-N 3.06Å; R717-E721 PolarHBondContact O-N 2.92Å
718	D	78.7	Confident	74.2	Confident	21 Å²	21	68 Å²	68	11%	0.112	34%	0.336	C	S	.	.	H	α-helix	trans	-72.7	-31	-171.5	-63	6	0	0	0	111.8	G714 I715 R720 E721 A722 F740 Y976	G714-D718 PolarHBondContact O-N 2.93Å; I715-D718 PolarHBondContact O-N 3.29Å; D718-R720 VanDerWaalsContact C-N 3.32Å; D718-R720 PolarHBondContact O-N 3.08Å; D718-E721 PolarHBondContact O-N 3.09Å; D718-A722 WeakPolarHBondContact O-CB 3.44Å; D718-A722 PolarHBondContact O-N 3.5Å; D718-F740 HydrophobicContact CB-CE1 4.24Å; D718-F740 HydrophobicContact CB-CE2 4.17Å; D718-F740 HydrophobicContact CB-CZ 3.57Å; D718-Y976 VanDerWaalsContact OD2-CE2 3.3Å; D718-Y976 WeakPolarHBondContact OD2-CE2 3.21Å; D718-Y976 PolarHBondContact OD2-OH 3.3Å
719	Q	78.3	Confident	73	Confident	23 Å²	23	70.9 Å²	70.9	11%	0.107	35%	0.351	C	S	.	.	H	α-helix	trans	-62.9	-38.2	173	-172.8	179.2	10.1	0	0	111.8	I715 R717 A722 L723 F740	I715-Q719 WeakPolarHBondContact O-CB 3.3Å; I715-Q719 PolarHBondContact O-N 2.84Å; R717-Q719 PolarHBondContact O-N 3.11Å; Q719-A722 PolarHBondContact O-N 3.19Å; Q719-L723 HydrophobicContact CG-CD1 4.31Å; Q719-L723 WeakPolarHBondContact O-CD1 3.5Å; Q719-L723 VanDerWaalsContact O-CG 3.32Å; Q719-L723 WeakPolarHBondContact O-CG 3.49Å; Q719-L723 PolarHBondContact O-N 3.28Å; Q719-L723 VanDerWaalsContact O-N 3.09Å; Q719-F740 HydrophobicContact CB-CD2 3.95Å; Q719-F740 HydrophobicContact CB-CE2 4.42Å; Q719-F740 HydrophobicContact CB-CG 4.45Å; Q719-F740 HydrophobicContact CG-CD2 4.31Å
720	R	73.6	Confident	72.2	Confident	108 Å²	108	69.6 Å²	69.6	41%	0.408	35%	0.352	S	S	.	.	H	α-helix	trans	-68	-37.3	176.3	-74.9	-172	-64.6	159	7.6	112.2	R717 D718 L723 Q724	R717-R720 PolarHBondContact O-N 3.06Å; D718-R720 VanDerWaalsContact C-N 3.32Å; D718-R720 PolarHBondContact O-N 3.08Å; R720-L723 PolarHBondContact O-N 3.17Å; R720-Q724 WeakPolarHBondContact O-CG 3.29Å; R720-Q724 PolarHBondContact O-N 2.91Å
721	E	71.9	Confident	71.5	Confident	111 Å²	111	69.8 Å²	69.8	52%	0.519	36%	0.36	S	S	.	.	H	α-helix	trans	-65.5	-42.8	173.3	-67.5	-179	-174.2	0	0	111.1	R717 D718 L723 Q724 M725	R717-E721 PolarHBondContact O-N 2.92Å; D718-E721 PolarHBondContact O-N 3.09Å; E721-L723 VanDerWaalsContact C-N 3.28Å; E721-L723 PolarHBondContact O-N 2.77Å; E721-Q724 PolarHBondContact O-N 3.42Å; E721-Q724 VanDerWaalsContact O-N 3.09Å; E721-M725 PolarHBondContact O-N 2.89Å
722	A	70.2	Confident	70.8	Confident	2 Å²	2	70 Å²	70	2%	0.017	36%	0.362	C	S	.	.	H	α-helix	trans	-63.2	-30.2	177.8	0	0	0	0	0	113.8	D718 Q719 M725 S733 V736 F740	D718-A722 WeakPolarHBondContact O-CB 3.44Å; D718-A722 PolarHBondContact O-N 3.5Å; Q719-A722 PolarHBondContact O-N 3.19Å; A722-M725 WeakPolarHBondContact O-CB 3.4Å; A722-M725 WeakPolarHBondContact O-CG 3.39Å; A722-S733 PolarHBondContact O-OG 3.17Å; A722-V736 HydrophobicContact CB-CG1 3.87Å; A722-F740 HydrophobicContact CB-CE2 4.39Å
723	L	71.3	Confident	70.1	Confident	59 Å²	59	68.3 Å²	68.3	31%	0.309	36%	0.356	S	S	.	.	H	α-helix	trans	-75.9	-21.2	175.4	-76.1	160.9	0	0	0	113.7	Q719 R720 E721 M725 I737 L785	Q719-L723 HydrophobicContact CG-CD1 4.31Å; Q719-L723 WeakPolarHBondContact O-CD1 3.5Å; Q719-L723 VanDerWaalsContact O-CG 3.32Å; Q719-L723 WeakPolarHBondContact O-CG 3.49Å; Q719-L723 PolarHBondContact O-N 3.28Å; Q719-L723 VanDerWaalsContact O-N 3.09Å; R720-L723 PolarHBondContact O-N 3.17Å; E721-L723 VanDerWaalsContact C-N 3.28Å; E721-L723 PolarHBondContact O-N 2.77Å; L723-M725 VanDerWaalsContact C-N 3.34Å; L723-I737 HydrophobicContact CD2-CD1 3.56Å; L723-I737 HydrophobicContact CG-CD1 4.01Å; L723-L785 HydrophobicContact CD1-CD2 3.15Å; L723-L785 HydrophobicContact CG-CD2 4.49Å
724	Q	69.2	Low	69.8	Low	148 Å²	148	72.3 Å²	72.3	69%	0.692	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-4.4	176.1	-67.8	175.8	14.3	0	0	112.7	R720 E721	R720-Q724 WeakPolarHBondContact O-CG 3.29Å; R720-Q724 PolarHBondContact O-N 2.91Å; E721-Q724 PolarHBondContact O-N 3.42Å; E721-Q724 VanDerWaalsContact O-N 3.09Å
725	M	64.4	Low	69.3	Low	58 Å²	58	77.6 Å²	77.6	29%	0.286	40%	0.395	S	S	.	.	S	Bend	trans	-65	138.1	177.7	-61	-174.8	99.2	0	0	111.1	E721 A722 L723 V968	E721-M725 PolarHBondContact O-N 2.89Å; A722-M725 WeakPolarHBondContact O-CB 3.4Å; A722-M725 WeakPolarHBondContact O-CG 3.39Å; L723-M725 VanDerWaalsContact C-N 3.34Å; M725-V968 HydrophobicContact CE-CB 3.79Å; M725-V968 HydrophobicContact CE-CG1 4.24Å; M725-V968 HydrophobicContact CE-CG2 3.2Å; M725-V968 HydrophobicContact SD-CB 4.4Å; M725-V968 HydrophobicContact SD-CG1 4.22Å; M725-V968 HydrophobicContact SD-CG2 4.17Å
726	T	56	Low	68.9	Low	95 Å²	95	77.6 Å²	77.6	58%	0.583	40%	0.395	S	S	*	.			trans	-62.2	152.8	-175.3	45.7	0	0	0	0	113	T728 D729	T726-T728 PolarHBondContact O-N 2.94Å; T726-T728 PolarHBondContact OG1-OG1 2.9Å; T726-D729 PolarHBondContact O-N 3.34Å; T726-D729 VanDerWaalsContact O-N 3.15Å
727	P	53.6	Low	68.9	Low	113 Å²	113	75.1 Å²	75.1	73%	0.734	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-56.5	-21.5	-172.7	-24.5	32.1	0	0	0	115.9	D729 S730	P727-D729 PolarHBondContact O-N 2.86Å; P727-D729 VanDerWaalsContact O-N 3.14Å; P727-S730 WeakPolarHBondContact O-CB 3.5Å; P727-S730 PolarHBondContact O-N 3.46Å; P727-S730 VanDerWaalsContact O-N 3.11Å
728	T	52	Low	68.8	Low	126 Å²	126	69.6 Å²	69.6	77%	0.773	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-62.2	-16.8	179.4	48.7	0	0	0	0	113.3	T726	T726-T728 PolarHBondContact O-N 2.94Å; T726-T728 PolarHBondContact OG1-OG1 2.9Å
729	D	60.9	Low	68.7	Low	69 Å²	69	70.6 Å²	70.6	37%	0.369	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-114.5	28.3	175.8	-98.1	-31.9	0	0	0	112.9	T726 P727 V731 C732 S733	T726-D729 PolarHBondContact O-N 3.34Å; T726-D729 VanDerWaalsContact O-N 3.15Å; P727-D729 PolarHBondContact O-N 2.86Å; P727-D729 VanDerWaalsContact O-N 3.14Å; D729-V731 VanDerWaalsContact C-N 3.28Å; D729-V731 PolarHBondContact O-N 2.77Å; D729-C732 HydrophobicContact CB-CB 4.06Å; D729-C732 CarbonylContact O-C 3.58Å; D729-C732 WeakPolarHBondContact O-CA 3.22Å; D729-C732 WeakPolarHBondContact O-CB 3.4Å; D729-C732 PolarHBondContact O-N 2.96Å; D729-S733 PolarHBondContact O-N 2.78Å
730	S	66.8	Low	68.9	Low	64 Å²	64	69.5 Å²	69.5	45%	0.448	37%	0.372	S	S	.	.	H	α-helix	trans	-57.3	-36.2	-174.3	65.1	0	0	0	0	114.3	P727 C732 K734	P727-S730 WeakPolarHBondContact O-CB 3.5Å; P727-S730 PolarHBondContact O-N 3.46Å; P727-S730 VanDerWaalsContact O-N 3.11Å; S730-C732 VanDerWaalsContact C-N 3.31Å; S730-K734 WeakPolarHBondContact O-CB 3.39Å; S730-K734 VanDerWaalsContact O-CG 3.29Å; S730-K734 WeakPolarHBondContact O-CG 3.35Å; S730-K734 PolarHBondContact O-N 3.41Å; S730-K734 VanDerWaalsContact O-N 3.15Å
731	V	69.1	Low	69.3	Low	112 Å²	112	68.9 Å²	68.9	68%	0.679	37%	0.374	S	S	*	.	H	α-helix	trans	-66.2	-38.6	174.3	179.8	0	0	0	0	110.4	D729 M735	D729-V731 VanDerWaalsContact C-N 3.28Å; D729-V731 PolarHBondContact O-N 2.77Å; V731-M735 PolarHBondContact O-N 3.08Å; V731-M735 VanDerWaalsContact O-N 3.15Å
732	C	68.3	Low	69.8	Low	6 Å²	6	66.3 Å²	66.3	4%	0.041	37%	0.366	C	S	.	.	H	α-helix	trans	-72.2	-48.2	-178.4	-161.5	0	0	0	0	112.5	D729 S730 K734 M735 V736 C964 S966	D729-C732 HydrophobicContact CB-CB 4.06Å; D729-C732 CarbonylContact O-C 3.58Å; D729-C732 WeakPolarHBondContact O-CA 3.22Å; D729-C732 WeakPolarHBondContact O-CB 3.4Å; D729-C732 PolarHBondContact O-N 2.96Å; S730-C732 VanDerWaalsContact C-N 3.31Å; C732-K734 VanDerWaalsContact C-N 3.29Å; C732-K734 PolarHBondContact O-N 3.21Å; C732-M735 WeakPolarHBondContact O-CB 3.49Å; C732-M735 PolarHBondContact O-N 3.46Å; C732-M735 VanDerWaalsContact O-N 3.1Å; C732-V736 WeakPolarHBondContact O-CG2 3.46Å; C732-V736 PolarHBondContact O-N 2.61Å; C732-C964 WeakPolarHBondContact CA-SG 3.48Å; C732-C964 HydrophobicContact CB-CB 4.33Å; C732-C964 WeakPolarHBondContact CB-SG 3.38Å; C732-C964 WeakPolarHBondContact SG-CB 3.45Å; C732-C964 CovalentContact SG-SG 2.02Å; C732-C964 PolarHBondContact SG-SG 2.59Å; C732-S966 PolarHBondContact SG-OG 3.31Å
733	S	68	Low	70.3	Confident	17 Å²	17	66.3 Å²	66.3	12%	0.119	37%	0.366	C	S	.	.	H	α-helix	trans	-56.4	-43.7	175	177.6	0	0	0	0	111	A722 D729 M735 V736 I737	A722-S733 PolarHBondContact O-OG 3.17Å; D729-S733 PolarHBondContact O-N 2.78Å; S733-M735 PolarHBondContact O-N 2.89Å; S733-V736 PolarHBondContact O-N 3.19Å; S733-I737 WeakPolarHBondContact O-CB 3.48Å; S733-I737 WeakPolarHBondContact O-CD1 3.43Å; S733-I737 WeakPolarHBondContact O-CG1 3.49Å; S733-I737 PolarHBondContact O-N 3.27Å
734	K	74.3	Confident	70.9	Confident	159 Å²	159	65.3 Å²	65.3	69%	0.691	36%	0.36	S	S	*	.	H	α-helix	trans	-61.1	-41.2	174.9	-77.6	178.9	-178.1	-179.2	0	113.4	S730 C732 G738	S730-K734 WeakPolarHBondContact O-CB 3.39Å; S730-K734 VanDerWaalsContact O-CG 3.29Å; S730-K734 WeakPolarHBondContact O-CG 3.35Å; S730-K734 PolarHBondContact O-N 3.41Å; S730-K734 VanDerWaalsContact O-N 3.15Å; C732-K734 VanDerWaalsContact C-N 3.29Å; C732-K734 PolarHBondContact O-N 3.21Å; K734-G738 PolarHBondContact O-N 3.26Å
735	M	71.7	Confident	71.6	Confident	118 Å²	118	62.9 Å²	62.9	58%	0.581	35%	0.352	S	S	*	.	H	α-helix	trans	-63.8	-45.8	177.2	-175.3	-178.1	-71.6	0	0	111.2	V731 C732 S733 G738 Y739	V731-M735 PolarHBondContact O-N 3.08Å; V731-M735 VanDerWaalsContact O-N 3.15Å; C732-M735 WeakPolarHBondContact O-CB 3.49Å; C732-M735 PolarHBondContact O-N 3.46Å; C732-M735 VanDerWaalsContact O-N 3.1Å; S733-M735 PolarHBondContact O-N 2.89Å; M735-G738 PolarHBondContact O-N 3.08Å; M735-Y739 PolarHBondContact O-N 2.77Å; M735-Y739 VanDerWaalsContact O-N 3.12Å
736	V	74.5	Confident	72.6	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-63.2	-44.9	177.7	167.7	0	0	0	0	111.7	A722 C732 S733 Y739 F740 I972	A722-V736 HydrophobicContact CB-CG1 3.87Å; C732-V736 WeakPolarHBondContact O-CG2 3.46Å; C732-V736 PolarHBondContact O-N 2.61Å; S733-V736 PolarHBondContact O-N 3.19Å; V736-Y739 WeakPolarHBondContact O-CB 3.41Å; V736-Y739 PolarHBondContact O-N 2.86Å; V736-F740 HydrophobicContact CG1-CD2 3.84Å; V736-F740 HydrophobicContact CG1-CE2 3.4Å; V736-F740 VanDerWaalsContact CG1-CE2 3.4Å; V736-F740 HydrophobicContact CG1-CZ 4.18Å; V736-F740 WeakPolarHBondContact O-CD2 3.44Å; V736-F740 PolarHBondContact O-N 3.32Å; V736-I972 HydrophobicContact CB-CD1 4.4Å; V736-I972 HydrophobicContact CG1-CD1 3.34Å; V736-I972 HydrophobicContact CG2-CD1 4.19Å
737	I	76	Confident	73.9	Confident	26 Å²	26	56.6 Å²	56.6	13%	0.133	32%	0.316	C	S	.	.	H	α-helix	trans	-62.7	-46.7	178	-69.3	163.6	0	0	0	110.9	L723 S733 Y739 F740 E741	L723-I737 HydrophobicContact CD2-CD1 3.56Å; L723-I737 HydrophobicContact CG-CD1 4.01Å; S733-I737 WeakPolarHBondContact O-CB 3.48Å; S733-I737 WeakPolarHBondContact O-CD1 3.43Å; S733-I737 WeakPolarHBondContact O-CG1 3.49Å; S733-I737 PolarHBondContact O-N 3.27Å; I737-Y739 PolarHBondContact O-N 3.49Å; I737-F740 PolarHBondContact O-N 2.92Å; I737-E741 HydrophobicContact CG2-CG 4.35Å; I737-E741 WeakPolarHBondContact O-CG 3.43Å; I737-E741 PolarHBondContact O-N 3.2Å
738	G	76.2	Confident	75.4	Confident	27 Å²	27	55.2 Å²	55.2	28%	0.278	30%	0.3	S	S	.	.	H	α-helix	trans	-62	-31	178.3	0	0	0	0	0	113.2	K734 M735 T742	K734-G738 PolarHBondContact O-N 3.26Å; M735-G738 PolarHBondContact O-N 3.08Å; G738-T742 PolarHBondContact O-N 3.43Å; G738-T742 VanDerWaalsContact O-N 3.11Å; G738-T742 PolarHBondContact O-OG1 2.87Å
739	Y	77.4	Confident	77.1	Confident	41 Å²	41	51.5 Å²	51.5	16%	0.161	28%	0.279	C	S	.	.	H	α-helix	trans	-65.9	-47.6	171.2	169.3	-86.1	0	0	0	111.8	M735 V736 I737 E741 T742 L743 M874 I972	M735-Y739 PolarHBondContact O-N 2.77Å; M735-Y739 VanDerWaalsContact O-N 3.12Å; V736-Y739 WeakPolarHBondContact O-CB 3.41Å; V736-Y739 PolarHBondContact O-N 2.86Å; I737-Y739 PolarHBondContact O-N 3.49Å; Y739-E741 PolarHBondContact O-N 3.48Å; Y739-T742 WeakPolarHBondContact O-CB 3.49Å; Y739-T742 PolarHBondContact O-N 2.99Å; Y739-L743 HydrophobicContact CE1-CD2 4.39Å; Y739-L743 PolarHBondContact O-N 3.43Å; Y739-M874 HydrophobicContact CE2-CE 3.54Å; Y739-M874 HydrophobicContact CE2-CG 3.87Å; Y739-M874 HydrophobicContact CE2-SD 4.14Å; Y739-M874 WeakPolarHBondContact OH-CE 3.43Å; Y739-M874 PolarHBondContact OH-SD 3.38Å; Y739-I972 HydrophobicContact CD1-CG2 4.26Å; Y739-I972 HydrophobicContact CE1-CG2 3.82Å
740	F	80.9	Confident	78.3	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61	-43.9	177	-72.6	-45.1	0	0	0	112.2	I715 D718 Q719 A722 V736 I737 T742 L743 I744 I972 Y976	I715-F740 HydrophobicContact CB-CD1 4.34Å; I715-F740 HydrophobicContact CG1-CD1 4.25Å; I715-F740 HydrophobicContact CG2-CB 3.69Å; I715-F740 HydrophobicContact CG2-CD1 3.58Å; I715-F740 HydrophobicContact CG2-CE1 4.4Å; I715-F740 HydrophobicContact CG2-CG 3.82Å; D718-F740 HydrophobicContact CB-CE1 4.24Å; D718-F740 HydrophobicContact CB-CE2 4.17Å; D718-F740 HydrophobicContact CB-CZ 3.57Å; Q719-F740 HydrophobicContact CB-CD2 3.95Å; Q719-F740 HydrophobicContact CB-CE2 4.42Å; Q719-F740 HydrophobicContact CB-CG 4.45Å; Q719-F740 HydrophobicContact CG-CD2 4.31Å; A722-F740 HydrophobicContact CB-CE2 4.39Å; V736-F740 HydrophobicContact CG1-CD2 3.84Å; V736-F740 HydrophobicContact CG1-CE2 3.4Å; V736-F740 VanDerWaalsContact CG1-CE2 3.4Å; V736-F740 HydrophobicContact CG1-CZ 4.18Å; V736-F740 WeakPolarHBondContact O-CD2 3.44Å; V736-F740 PolarHBondContact O-N 3.32Å; I737-F740 PolarHBondContact O-N 2.92Å; F740-T742 VanDerWaalsContact C-N 3.3Å; F740-T742 PolarHBondContact O-N 3.14Å; F740-L743 PolarHBondContact O-N 3.22Å; F740-L743 VanDerWaalsContact O-N 3.14Å; F740-I744 WeakPolarHBondContact O-CB 3.38Å; F740-I744 VanDerWaalsContact O-CG1 3.25Å; F740-I744 WeakPolarHBondContact O-CG1 3.06Å; F740-I744 PolarHBondContact O-N 3.02Å; F740-I972 HydrophobicContact CE1-CD1 4.35Å; F740-I972 HydrophobicContact CE1-CG1 4.48Å; F740-I972 HydrophobicContact CE1-CG2 4.11Å; F740-I972 HydrophobicContact CE2-CD1 3.86Å; F740-I972 HydrophobicContact CZ-CD1 3.45Å; F740-I972 VanDerWaalsContact CZ-CD1 3.45Å; F740-I972 HydrophobicContact CZ-CG1 3.82Å; F740-I972 HydrophobicContact CZ-CG2 4.22Å; F740-Y976 HydrophobicContact CE1-CD2 4.27Å; F740-Y976 AromaticContact CE1-CE2 3.6Å; F740-Y976 HydrophobicContact CE1-CE2 3.6Å; F740-Y976 AromaticContact CE1-CZ 3.9Å; F740-Y976 HydrophobicContact CZ-CE2 4.22Å
741	E	82.1	Confident	79	Confident	95 Å²	95	48.5 Å²	48.5	44%	0.444	25%	0.254	S	S	.	.	H	α-helix	trans	-58.1	-43.1	175.3	-71.9	175.6	174.1	0	0	111.7	I737 Y739 L743 I744 N745	I737-E741 HydrophobicContact CG2-CG 4.35Å; I737-E741 WeakPolarHBondContact O-CG 3.43Å; I737-E741 PolarHBondContact O-N 3.2Å; Y739-E741 PolarHBondContact O-N 3.48Å; E741-L743 VanDerWaalsContact C-N 3.34Å; E741-L743 PolarHBondContact O-N 2.97Å; E741-I744 PolarHBondContact O-N 3.47Å; E741-N745 WeakPolarHBondContact O-CB 3.33Å; E741-N745 PolarHBondContact O-N 3.42Å; E741-N745 PolarHBondContact O-ND2 3.08Å
742	T	82.4	Confident	79.6	Confident	57 Å²	57	45.3 Å²	45.3	35%	0.35	23%	0.233	S	C	.	.	H	α-helix	trans	-61.8	-43.6	176.2	-57.1	0	0	0	0	111.4	G738 Y739 F740 N745 I746	G738-T742 PolarHBondContact O-N 3.43Å; G738-T742 VanDerWaalsContact O-N 3.11Å; G738-T742 PolarHBondContact O-OG1 2.87Å; Y739-T742 WeakPolarHBondContact O-CB 3.49Å; Y739-T742 PolarHBondContact O-N 2.99Å; F740-T742 VanDerWaalsContact C-N 3.3Å; F740-T742 PolarHBondContact O-N 3.14Å; T742-N745 PolarHBondContact O-N 2.67Å; T742-I746 HydrophobicContact CG2-CD1 4.21Å; T742-I746 VanDerWaalsContact O-CG1 3.32Å; T742-I746 WeakPolarHBondContact O-CG1 3.42Å; T742-I746 PolarHBondContact O-N 3.3Å; T742-I746 VanDerWaalsContact O-N 3.09Å
743	L	81.8	Confident	80.4	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-69.7	-40.5	-178.6	-169	60.6	0	0	0	111.9	I711 I715 Y739 F740 E741 N745 I746 I747 Y976 L980	I711-L743 HydrophobicContact CG2-CD2 4.24Å; I715-L743 HydrophobicContact CD1-CB 3.98Å; I715-L743 HydrophobicContact CD1-CD2 3.52Å; I715-L743 HydrophobicContact CD1-CG 3.61Å; I715-L743 HydrophobicContact CG1-CD2 4.03Å; Y739-L743 HydrophobicContact CE1-CD2 4.39Å; Y739-L743 PolarHBondContact O-N 3.43Å; F740-L743 PolarHBondContact O-N 3.22Å; F740-L743 VanDerWaalsContact O-N 3.14Å; E741-L743 VanDerWaalsContact C-N 3.34Å; E741-L743 PolarHBondContact O-N 2.97Å; L743-N745 VanDerWaalsContact C-N 3.35Å; L743-I746 PolarHBondContact O-N 3.49Å; L743-I747 HydrophobicContact CD1-CD1 4.44Å; L743-I747 HydrophobicContact CG-CD1 4.01Å; L743-I747 VanDerWaalsContact O-CG1 3.3Å; L743-I747 WeakPolarHBondContact O-CG1 3.28Å; L743-I747 PolarHBondContact O-N 3.02Å; L743-Y976 HydrophobicContact CD2-CD1 4.07Å; L743-Y976 HydrophobicContact CD2-CG 4.49Å; L743-L980 HydrophobicContact CD1-CD1 4.21Å; L743-L980 HydrophobicContact CD1-CD2 4.06Å
744	I	82.8	Confident	81	Confident	37 Å²	37	46.7 Å²	46.7	19%	0.19	24%	0.237	C	C	.	.	H	α-helix	trans	-56.9	-49.4	172	-70.2	164.6	0	0	0	110	I715 F740 E741 I746 I747 Q748	I715-I744 HydrophobicContact CB-CG1 4.41Å; I715-I744 HydrophobicContact CD1-CG1 4.18Å; I715-I744 HydrophobicContact CG2-CD1 3.67Å; I715-I744 HydrophobicContact CG2-CG1 3.66Å; F740-I744 WeakPolarHBondContact O-CB 3.38Å; F740-I744 VanDerWaalsContact O-CG1 3.25Å; F740-I744 WeakPolarHBondContact O-CG1 3.06Å; F740-I744 PolarHBondContact O-N 3.02Å; E741-I744 PolarHBondContact O-N 3.47Å; I744-I746 VanDerWaalsContact C-N 3.31Å; I744-I746 PolarHBondContact O-N 2.97Å; I744-I747 PolarHBondContact O-N 3.19Å; I744-Q748 HydrophobicContact CG2-CG 4.1Å; I744-Q748 WeakPolarHBondContact O-CB 3.33Å; I744-Q748 WeakPolarHBondContact O-CG 3.29Å; I744-Q748 PolarHBondContact O-N 2.91Å
745	N	84.2	Confident	81	Confident	97 Å²	97	41 Å²	41	52%	0.519	22%	0.218	S	C	.	.	H	α-helix	trans	-60	-40.8	-179.7	-71.8	-21.4	0	0	0	112.1	E741 T742 L743 S749	E741-N745 WeakPolarHBondContact O-CB 3.33Å; E741-N745 PolarHBondContact O-N 3.42Å; E741-N745 PolarHBondContact O-ND2 3.08Å; T742-N745 PolarHBondContact O-N 2.67Å; L743-N745 VanDerWaalsContact C-N 3.35Å; N745-S749 WeakPolarHBondContact O-CB 3.43Å; N745-S749 PolarHBondContact O-N 3.1Å
746	I	85.5	Confident	81.2	Confident	17 Å²	17	43.3 Å²	43.3	9%	0.087	22%	0.224	C	C	.	.	H	α-helix	trans	-63.6	-46.2	176.3	-68.6	170	0	0	0	110.9	T742 L743 I744 S749 F750 Y863 L866 L867 K870	T742-I746 HydrophobicContact CG2-CD1 4.21Å; T742-I746 VanDerWaalsContact O-CG1 3.32Å; T742-I746 WeakPolarHBondContact O-CG1 3.42Å; T742-I746 PolarHBondContact O-N 3.3Å; T742-I746 VanDerWaalsContact O-N 3.09Å; L743-I746 PolarHBondContact O-N 3.49Å; I744-I746 VanDerWaalsContact C-N 3.31Å; I744-I746 PolarHBondContact O-N 2.97Å; I746-S749 PolarHBondContact O-N 3.24Å; I746-F750 WeakPolarHBondContact O-CB 3.46Å; I746-F750 PolarHBondContact O-N 3.39Å; I746-Y863 HydrophobicContact CG2-CD1 4.23Å; I746-Y863 HydrophobicContact CG2-CE1 4.39Å; I746-L866 HydrophobicContact CB-CD2 4.46Å; I746-L866 HydrophobicContact CD1-CD2 4.31Å; I746-L866 HydrophobicContact CD1-CG 4.21Å; I746-L866 HydrophobicContact CG1-CD2 3.99Å; I746-L866 HydrophobicContact CG1-CG 4.43Å; I746-L866 HydrophobicContact CG2-CD2 3.79Å; I746-L866 HydrophobicContact CG2-CG 4.29Å; I746-L867 HydrophobicContact CG2-CD2 4.07Å; I746-K870 HydrophobicContact CD1-CG 4.14Å
747	I	84.4	Confident	81	Confident	5 Å²	5	44 Å²	44	3%	0.026	23%	0.228	C	C	.	.	H	α-helix	trans	-67.1	-44.2	-177.9	-69.7	165.6	0	0	0	111.2	L708 I711 I715 L743 I744 F750 K751	L708-I747 HydrophobicContact CD2-CG1 4.34Å; L708-I747 HydrophobicContact CD2-CG2 4.16Å; I711-I747 HydrophobicContact CB-CD1 4.04Å; I711-I747 HydrophobicContact CG2-CD1 3.33Å; I715-I747 HydrophobicContact CD1-CD1 3.75Å; L743-I747 HydrophobicContact CD1-CD1 4.44Å; L743-I747 HydrophobicContact CG-CD1 4.01Å; L743-I747 VanDerWaalsContact O-CG1 3.3Å; L743-I747 WeakPolarHBondContact O-CG1 3.28Å; L743-I747 PolarHBondContact O-N 3.02Å; I744-I747 PolarHBondContact O-N 3.19Å; I747-F750 PolarHBondContact O-N 3.29Å; I747-K751 WeakPolarHBondContact O-CB 2.93Å; I747-K751 PolarHBondContact O-N 3.2Å
748	Q	83.6	Confident	80.3	Confident	84 Å²	84	45 Å²	45	39%	0.393	24%	0.237	S	C	.	.	H	α-helix	trans	-61.6	-49	175.7	-73.6	178.2	-9.1	0	0	110.7	I744 F750 K751 D752	I744-Q748 HydrophobicContact CG2-CG 4.1Å; I744-Q748 WeakPolarHBondContact O-CB 3.33Å; I744-Q748 WeakPolarHBondContact O-CG 3.29Å; I744-Q748 PolarHBondContact O-N 2.91Å; Q748-F750 VanDerWaalsContact C-N 3.26Å; Q748-F750 PolarHBondContact O-N 3.01Å; Q748-K751 WeakPolarHBondContact O-CB 3.24Å; Q748-K751 PolarHBondContact O-N 3.31Å; Q748-K751 VanDerWaalsContact O-N 3.16Å; Q748-D752 WeakPolarHBondContact O-CB 3.3Å; Q748-D752 PolarHBondContact O-N 3.44Å
749	S	87.2	Confident	79.1	Confident	47 Å²	47	48.1 Å²	48.1	33%	0.329	26%	0.255	S	S	.	.	H	α-helix	trans	-58.3	-38.5	175.7	-177	0	0	0	0	112.2	N745 I746 D752 E753 Y863	N745-S749 WeakPolarHBondContact O-CB 3.43Å; N745-S749 PolarHBondContact O-N 3.1Å; I746-S749 PolarHBondContact O-N 3.24Å; S749-D752 PolarHBondContact O-N 3.05Å; S749-E753 PolarHBondContact O-N 2.96Å; S749-Y863 WeakPolarHBondContact CB-OH 3.33Å; S749-Y863 PolarHBondContact O-OH 2.6Å; S749-Y863 PolarHBondContact OG-OH 2.79Å
750	F	88.1	Confident	77.9	Confident	1 Å²	1	47.6 Å²	47.6	0%	0.004	26%	0.256	C	S	.	.	H	α-helix	trans	-64.8	-48.7	176	-173	-163.5	0	0	0	111.8	I704 L708 I746 I747 Q748 D752 E753 L754 V859 L860 Y863 I987	I704-F750 HydrophobicContact CG2-CE1 4.07Å; I704-F750 HydrophobicContact CG2-CZ 4.14Å; L708-F750 HydrophobicContact CD1-CD1 3.73Å; L708-F750 HydrophobicContact CD1-CE1 3.75Å; L708-F750 HydrophobicContact CD2-CD1 3.61Å; L708-F750 HydrophobicContact CD2-CE1 4Å; L708-F750 HydrophobicContact CG-CD1 4.27Å; L708-F750 HydrophobicContact CG-CE1 4.33Å; I746-F750 WeakPolarHBondContact O-CB 3.46Å; I746-F750 PolarHBondContact O-N 3.39Å; I747-F750 PolarHBondContact O-N 3.29Å; Q748-F750 VanDerWaalsContact C-N 3.26Å; Q748-F750 PolarHBondContact O-N 3.01Å; F750-D752 VanDerWaalsContact C-N 3.28Å; F750-D752 PolarHBondContact O-N 3.34Å; F750-E753 PolarHBondContact O-N 3.46Å; F750-L754 HydrophobicContact CD2-CD1 3.71Å; F750-L754 HydrophobicContact CD2-CD2 4.48Å; F750-L754 HydrophobicContact CD2-CG 3.78Å; F750-L754 HydrophobicContact CE1-CD1 4.41Å; F750-L754 HydrophobicContact CE2-CD1 3.44Å; F750-L754 VanDerWaalsContact CE2-CD1 3.44Å; F750-L754 HydrophobicContact CE2-CD2 3.86Å; F750-L754 HydrophobicContact CE2-CG 3.6Å; F750-L754 HydrophobicContact CG-CD1 4.32Å; F750-L754 HydrophobicContact CZ-CD1 3.82Å; F750-L754 HydrophobicContact CZ-CG 4.43Å; F750-L754 WeakPolarHBondContact O-CB 3.36Å; F750-L754 VanDerWaalsContact O-CG 3.31Å; F750-L754 WeakPolarHBondContact O-CG 3.39Å; F750-L754 PolarHBondContact O-N 3.21Å; F750-V859 HydrophobicContact CD2-CG1 4.04Å; F750-V859 HydrophobicContact CE2-CG1 3.9Å; F750-L860 HydrophobicContact CE2-CD2 4.35Å; F750-L860 HydrophobicContact CZ-CD2 4.04Å; F750-Y863 HydrophobicContact CB-CD1 3.58Å; F750-Y863 HydrophobicContact CB-CD2 4.02Å; F750-Y863 HydrophobicContact CB-CE1 3.5Å; F750-Y863 HydrophobicContact CB-CE2 3.95Å; F750-Y863 HydrophobicContact CB-CG 3.85Å; F750-Y863 HydrophobicContact CD1-CD1 4.35Å; F750-Y863 HydrophobicContact CD1-CG 4.09Å; F750-Y863 HydrophobicContact CD2-CD1 4.17Å; F750-Y863 AromaticContact CD2-CD2 3.12Å; F750-Y863 HydrophobicContact CD2-CD2 3.12Å; F750-Y863 AromaticContact CD2-CE2 3.54Å; F750-Y863 HydrophobicContact CD2-CE2 3.54Å; F750-Y863 AromaticContact CD2-CG 3.5Å; F750-Y863 HydrophobicContact CD2-CG 3.5Å; F750-Y863 VanDerWaalsContact CD2-CG 3.5Å; F750-Y863 AromaticContact CE2-CD2 3.68Å; F750-Y863 HydrophobicContact CE2-CD2 3.68Å; F750-Y863 HydrophobicContact CE2-CE2 4.43Å; F750-Y863 HydrophobicContact CE2-CG 4.04Å; F750-Y863 AromaticContact CG-CD1 3.79Å; F750-Y863 HydrophobicContact CG-CD1 3.79Å; F750-Y863 AromaticContact CG-CD2 3.65Å; F750-Y863 HydrophobicContact CG-CD2 3.65Å; F750-Y863 HydrophobicContact CG-CE1 4.16Å; F750-Y863 HydrophobicContact CG-CE2 4.02Å; F750-Y863 AromaticContact CG-CG 3.54Å; F750-Y863 HydrophobicContact CG-CG 3.54Å; F750-Y863 PolarHBondContact N-OH 3.02Å; F750-I987 HydrophobicContact CE1-CD1 3.86Å; F750-I987 HydrophobicContact CZ-CD1 4.12Å; F750-I987 HydrophobicContact CZ-CG1 4.46Å
751	K	81.1	Confident	76.5	Confident	69 Å²	69	48 Å²	48	30%	0.3	26%	0.258	S	S	.	.	H	α-helix	trans	-58.4	-41.9	176.1	-173.3	179.3	-179.6	178.4	0	111.5	E712 I747 Q748 L754 C755	E712-K751 IonicContact OE2-NZ 3.35Å; I747-K751 WeakPolarHBondContact O-CB 2.93Å; I747-K751 PolarHBondContact O-N 3.2Å; Q748-K751 WeakPolarHBondContact O-CB 3.24Å; Q748-K751 PolarHBondContact O-N 3.31Å; Q748-K751 VanDerWaalsContact O-N 3.16Å; K751-L754 PolarHBondContact O-N 2.97Å; K751-C755 WeakPolarHBondContact O-CB 3.47Å; K751-C755 PolarHBondContact O-N 3.09Å; K751-C755 PolarHBondContact O-SG 3.42Å
752	D	81.7	Confident	74.9	Confident	45 Å²	45	46.1 Å²	46.1	24%	0.241	25%	0.253	C	S	.	.	H	α-helix	trans	-67.5	-41.6	179.8	-67.4	-7.4	0	0	0	112	Q748 S749 F750 C755 K756 H774	Q748-D752 WeakPolarHBondContact O-CB 3.3Å; Q748-D752 PolarHBondContact O-N 3.44Å; S749-D752 PolarHBondContact O-N 3.05Å; F750-D752 VanDerWaalsContact C-N 3.28Å; F750-D752 PolarHBondContact O-N 3.34Å; D752-C755 PolarHBondContact O-N 3.07Å; D752-K756 VanDerWaalsContact O-CG 3.27Å; D752-K756 WeakPolarHBondContact O-CG 3.23Å; D752-K756 PolarHBondContact O-N 3.48Å; D752-H774 IonicContact OD1-CE1 2.73Å; D752-H774 PolarHBondContact OD1-CE1 2.87Å; D752-H774 IonicContact OD1-NE2 3.68Å; D752-H774 PolarHBondContact OD1-NE2 2.98Å
753	E	84.6	Confident	73.4	Confident	49 Å²	49	45.3 Å²	45.3	23%	0.229	25%	0.245	C	C	.	.	H	α-helix	trans	-66.8	-38.9	174.9	-78	-169	-171.7	0	0	112.3	S749 F750 C755 K756 L757 V859 K862 Y863	S749-E753 PolarHBondContact O-N 2.96Å; F750-E753 PolarHBondContact O-N 3.46Å; E753-C755 VanDerWaalsContact C-N 3.27Å; E753-C755 PolarHBondContact O-N 2.91Å; E753-K756 PolarHBondContact O-N 3.37Å; E753-L757 PolarHBondContact O-N 3.49Å; E753-V859 HydrophobicContact CB-CG1 4.03Å; E753-V859 HydrophobicContact CB-CG2 4.3Å; E753-K862 IonicContact OE1-NZ 3.34Å; E753-K862 PolarHBondContact OE1-NZ 3.07Å; E753-K862 IonicContact OE2-NZ 2.9Å; E753-Y863 HydrophobicContact CB-CE2 4.24Å; E753-Y863 HydrophobicContact CG-CE2 4.49Å; E753-Y863 VanDerWaalsContact OE2-CE2 3.26Å; E753-Y863 WeakPolarHBondContact OE2-CE2 3.25Å
754	L	79.8	Confident	71.9	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.016	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-35.9	172	-70.9	172.1	0	0	0	111.7	L708 F750 K751 L757 F769 L856 V859	L708-L754 HydrophobicContact CD1-CD1 4.41Å; F750-L754 HydrophobicContact CD2-CD1 3.71Å; F750-L754 HydrophobicContact CD2-CD2 4.48Å; F750-L754 HydrophobicContact CD2-CG 3.78Å; F750-L754 HydrophobicContact CE1-CD1 4.41Å; F750-L754 HydrophobicContact CE2-CD1 3.44Å; F750-L754 VanDerWaalsContact CE2-CD1 3.44Å; F750-L754 HydrophobicContact CE2-CD2 3.86Å; F750-L754 HydrophobicContact CE2-CG 3.6Å; F750-L754 HydrophobicContact CG-CD1 4.32Å; F750-L754 HydrophobicContact CZ-CD1 3.82Å; F750-L754 HydrophobicContact CZ-CG 4.43Å; F750-L754 WeakPolarHBondContact O-CB 3.36Å; F750-L754 VanDerWaalsContact O-CG 3.31Å; F750-L754 WeakPolarHBondContact O-CG 3.39Å; F750-L754 PolarHBondContact O-N 3.21Å; K751-L754 PolarHBondContact O-N 2.97Å; L754-L757 HydrophobicContact CD2-CD1 3.99Å; L754-L757 WeakPolarHBondContact O-CB 3.42Å; L754-L757 WeakPolarHBondContact O-CD1 3.44Å; L754-L757 WeakPolarHBondContact O-CG 3.47Å; L754-F769 HydrophobicContact CB-CD2 4.44Å; L754-F769 HydrophobicContact CD1-CD1 4.3Å; L754-F769 HydrophobicContact CD1-CE1 3.67Å; L754-F769 HydrophobicContact CD1-CE2 4.11Å; L754-F769 HydrophobicContact CD1-CZ 3.58Å; L754-L856 HydrophobicContact CD2-CD1 3.7Å; L754-V859 HydrophobicContact CD2-CG1 4.06Å; L754-V859 HydrophobicContact CG-CG1 4.35Å
755	C	75.3	Confident	70.3	Confident	41 Å²	41	44 Å²	44	28%	0.277	24%	0.238	S	C	.	.	H	α-helix	trans	-75.2	-20	175.5	-77.1	0	0	0	0	114.3	K751 D752 E753 L757 C771	K751-C755 WeakPolarHBondContact O-CB 3.47Å; K751-C755 PolarHBondContact O-N 3.09Å; K751-C755 PolarHBondContact O-SG 3.42Å; D752-C755 PolarHBondContact O-N 3.07Å; E753-C755 VanDerWaalsContact C-N 3.27Å; E753-C755 PolarHBondContact O-N 2.91Å; C755-L757 VanDerWaalsContact C-N 3.34Å; C755-C771 WeakPolarHBondContact CA-SG 3.16Å; C755-C771 HydrophobicContact CB-CB 3.72Å; C755-C771 WeakPolarHBondContact CB-SG 3.26Å; C755-C771 WeakPolarHBondContact SG-CB 3.37Å; C755-C771 CovalentContact SG-SG 2.04Å; C755-C771 PolarHBondContact SG-SG 3.01Å
756	K	75.4	Confident	68.5	Low	165 Å²	165	39.6 Å²	39.6	72%	0.717	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	0.5	175.8	-72.8	168.7	-174.5	170.9	0	113.5	D752 E753	D752-K756 VanDerWaalsContact O-CG 3.27Å; D752-K756 WeakPolarHBondContact O-CG 3.23Å; D752-K756 PolarHBondContact O-N 3.48Å; E753-K756 PolarHBondContact O-N 3.37Å
757	L	70	Confident	66.8	Low	15 Å²	15	40.4 Å²	40.4	8%	0.079	23%	0.228	C	C	.	.			trans	-60.4	144.4	178.2	-74.1	175.7	0	0	0	111.5	E753 L754 C755 D761 T765 K855 L856 V859	E753-L757 PolarHBondContact O-N 3.49Å; L754-L757 HydrophobicContact CD2-CD1 3.99Å; L754-L757 WeakPolarHBondContact O-CB 3.42Å; L754-L757 WeakPolarHBondContact O-CD1 3.44Å; L754-L757 WeakPolarHBondContact O-CG 3.47Å; C755-L757 VanDerWaalsContact C-N 3.34Å; L757-D761 HydrophobicContact CB-CB 3.85Å; L757-D761 HydrophobicContact CD1-CB 4.43Å; L757-D761 HydrophobicContact CD2-CB 4.2Å; L757-D761 HydrophobicContact CG-CB 4.38Å; L757-T765 HydrophobicContact CD1-CG2 4Å; L757-K855 HydrophobicContact CD2-CB 3.76Å; L757-L856 HydrophobicContact CD1-CB 4.09Å; L757-L856 HydrophobicContact CD1-CD1 3.69Å; L757-L856 HydrophobicContact CD1-CG 4.44Å; L757-L856 HydrophobicContact CD2-CB 4.34Å; L757-V859 HydrophobicContact CD2-CG2 4.22Å
758	S	61.4	Low	65.1	Low	46 Å²	46	41.2 Å²	41.2	32%	0.322	23%	0.231	S	C	.	.			trans	-65.4	158.3	-178	71.4	0	0	0	0	111.7	V760 D761 V762	S758-V760 PolarHBondContact O-N 3.4Å; S758-D761 CarbonylContact O-C 3.47Å; S758-D761 WeakPolarHBondContact O-CA 3.44Å; S758-D761 WeakPolarHBondContact O-CB 3.44Å; S758-D761 PolarHBondContact O-N 3.27Å; S758-D761 PolarHBondContact OG-N 3.02Å; S758-D761 PolarHBondContact OG-OD2 3.43Å; S758-V762 WeakPolarHBondContact O-CG2 3.43Å; S758-V762 PolarHBondContact O-N 3.27Å
759	S	52.3	Low	63.5	Low	94 Å²	94	37.8 Å²	37.8	66%	0.657	22%	0.215	S	C	*	.	H	α-helix	trans	-53.7	-27.4	177.7	53.7	0	0	0	0	114.1	V762	S759-V762 WeakPolarHBondContact O-CB 3.34Å; S759-V762 PolarHBondContact O-N 3.02Å
760	V	50.9	Low	61.7	Low	30 Å²	30	41.7 Å²	41.7	18%	0.182	23%	0.232	C	C	.	.	H	α-helix	trans	-74.4	-36.9	175.5	-177.3	0	0	0	0	111.5	S758 V762 F763 I850 Y852	S758-V760 PolarHBondContact O-N 3.4Å; V760-V762 VanDerWaalsContact C-N 3.31Å; V760-F763 WeakPolarHBondContact O-CB 3.35Å; V760-F763 WeakPolarHBondContact O-CD2 3.31Å; V760-F763 PolarHBondContact O-N 3.47Å; V760-I850 HydrophobicContact CG2-CD1 3.94Å; V760-Y852 HydrophobicContact CG1-CD1 4.17Å; V760-Y852 HydrophobicContact CG1-CE1 3.62Å
761	D	52.2	Low	60.4	Low	7 Å²	7	44 Å²	44	4%	0.037	25%	0.248	C	C	.	.	H	α-helix	trans	-75.4	-24.3	171.9	-63.3	-50.9	0	0	0	111.6	L757 S758 F763 Y764 T765 S854	L757-D761 HydrophobicContact CB-CB 3.85Å; L757-D761 HydrophobicContact CD1-CB 4.43Å; L757-D761 HydrophobicContact CD2-CB 4.2Å; L757-D761 HydrophobicContact CG-CB 4.38Å; S758-D761 CarbonylContact O-C 3.47Å; S758-D761 WeakPolarHBondContact O-CA 3.44Å; S758-D761 WeakPolarHBondContact O-CB 3.44Å; S758-D761 PolarHBondContact O-N 3.27Å; S758-D761 PolarHBondContact OG-N 3.02Å; S758-D761 PolarHBondContact OG-OD2 3.43Å; D761-F763 PolarHBondContact O-N 3.35Å; D761-Y764 WeakPolarHBondContact O-CB 3.39Å; D761-Y764 WeakPolarHBondContact O-CD2 3.37Å; D761-Y764 PolarHBondContact O-N 2.96Å; D761-T765 PolarHBondContact O-N 2.93Å; D761-S854 WeakPolarHBondContact OD1-CA 3.08Å; D761-S854 WeakPolarHBondContact OD1-CB 3.43Å; D761-S854 PolarHBondContact OD1-OG 2.91Å
762	V	47.4	Very low	58.9	Low	57 Å²	57	48.4 Å²	48.4	35%	0.345	27%	0.274	S	S	.	.	H	α-helix	trans	-61	-24.2	171.4	174.1	0	0	0	0	111.5	S758 S759 V760 Y764 T765 T766	S758-V762 WeakPolarHBondContact O-CG2 3.43Å; S758-V762 PolarHBondContact O-N 3.27Å; S759-V762 WeakPolarHBondContact O-CB 3.34Å; S759-V762 PolarHBondContact O-N 3.02Å; V760-V762 VanDerWaalsContact C-N 3.31Å; V762-Y764 PolarHBondContact O-N 3.49Å; V762-T765 WeakPolarHBondContact CA-OG1 3.25Å; V762-T765 CarbonylContact O-C 3.48Å; V762-T765 PolarHBondContact O-N 3.08Å; V762-T766 WeakPolarHBondContact O-CA 3.33Å; V762-T766 VanDerWaalsContact O-CG2 3.24Å; V762-T766 WeakPolarHBondContact O-CG2 3.49Å; V762-T766 PolarHBondContact O-N 3.14Å
763	F	51.6	Low	56.9	Low	40 Å²	40	52.2 Å²	52.2	18%	0.175	29%	0.294	C	S	.	.	H	α-helix	trans	-57.7	-31.9	169.8	-74.2	-69.4	0	0	0	111.8	Y694 R698 V760 D761 Q844 L845	Y694-F763 VanDerWaalsContact OH-C 3.31Å; Y694-F763 PolarHBondContact OH-O 2.92Å; R698-F763 PolarHBondContact NH2-O 3.47Å; V760-F763 WeakPolarHBondContact O-CB 3.35Å; V760-F763 WeakPolarHBondContact O-CD2 3.31Å; V760-F763 PolarHBondContact O-N 3.47Å; D761-F763 PolarHBondContact O-N 3.35Å; F763-Q844 HydrophobicContact CE1-CG 4.42Å; F763-Q844 HydrophobicContact CZ-CG 4.06Å; F763-L845 HydrophobicContact CB-CD2 4.19Å; F763-L845 HydrophobicContact CD2-CD2 3.69Å; F763-L845 HydrophobicContact CE2-CD2 4.31Å; F763-L845 HydrophobicContact CG-CD2 4Å
764	Y	51.3	Low	54.5	Low	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-79.2	-28.8	174.1	-56.7	-73.9	0	0	0	112.7	Y694 L697 L701 D761 V762 L856 L994 F997	Y694-Y764 HydrophobicContact CD2-CD1 4.37Å; Y694-Y764 HydrophobicContact CD2-CE1 4.19Å; Y694-Y764 AromaticContact CE2-CD1 3.73Å; Y694-Y764 HydrophobicContact CE2-CD1 3.73Å; Y694-Y764 AromaticContact CE2-CE1 3.73Å; Y694-Y764 HydrophobicContact CE2-CE1 3.73Å; L697-Y764 HydrophobicContact CD2-CD1 3.4Å; L697-Y764 VanDerWaalsContact CD2-CD1 3.4Å; L697-Y764 HydrophobicContact CD2-CE1 3.55Å; L697-Y764 HydrophobicContact CG-CD1 4.32Å; L701-Y764 VanDerWaalsContact CD1-O 3.23Å; L701-Y764 WeakPolarHBondContact CD1-O 3.44Å; D761-Y764 WeakPolarHBondContact O-CB 3.39Å; D761-Y764 WeakPolarHBondContact O-CD2 3.37Å; D761-Y764 PolarHBondContact O-N 2.96Å; V762-Y764 PolarHBondContact O-N 3.49Å; Y764-L856 HydrophobicContact CD2-CD2 4.15Å; Y764-L856 HydrophobicContact CG-CD2 4.06Å; Y764-L994 HydrophobicContact CD1-CD1 4.18Å; Y764-L994 HydrophobicContact CE1-CD1 3.78Å; Y764-L994 HydrophobicContact CE2-CD1 4.24Å; Y764-F997 AromaticContact CE1-CD1 3.84Å; Y764-F997 HydrophobicContact CE1-CD1 3.84Å; Y764-F997 AromaticContact CE1-CE1 3.78Å; Y764-F997 HydrophobicContact CE1-CE1 3.78Å; Y764-F997 WeakPolarHBondContact OH-CE1 3.4Å
765	T	48.1	Very low	52.4	Low	11 Å²	11	61.5 Å²	61.5	7%	0.067	35%	0.349	C	S	.	.	H	α-helix	trans	-108.4	0.2	-167.5	68.3	0	0	0	0	115.1	L757 D761 V762 G767 F768 F769	L757-T765 HydrophobicContact CD1-CG2 4Å; D761-T765 PolarHBondContact O-N 2.93Å; V762-T765 WeakPolarHBondContact CA-OG1 3.25Å; V762-T765 CarbonylContact O-C 3.48Å; V762-T765 PolarHBondContact O-N 3.08Å; T765-G767 PolarHBondContact O-N 3.37Å; T765-G767 VanDerWaalsContact O-N 3.08Å; T765-F768 VanDerWaalsContact C-CD2 3.46Å; T765-F768 WeakPolarHBondContact O-CB 3.47Å; T765-F768 VanDerWaalsContact O-CD2 3.28Å; T765-F768 WeakPolarHBondContact O-CD2 3.43Å; T765-F768 PolarHBondContact O-N 3.33Å; T765-F769 HydrophobicContact CG2-CE2 4.49Å
766	T	47.5	Very low	50.1	Low	5 Å²	5	67 Å²	67	3%	0.031	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-25.8	104.5	-172.4	53.1	0	0	0	0	113.1	R698 V762 F768	R698-T766 PolarHBondContact NH1-OG1 3.1Å; R698-T766 VanDerWaalsContact NH2-CG2 3.3Å; R698-T766 PolarHBondContact NH2-OG1 2.91Å; V762-T766 WeakPolarHBondContact O-CA 3.33Å; V762-T766 VanDerWaalsContact O-CG2 3.24Å; V762-T766 WeakPolarHBondContact O-CG2 3.49Å; V762-T766 PolarHBondContact O-N 3.14Å; T766-F768 WeakPolarHBondContact O-CD2 3.47Å; T766-F768 PolarHBondContact O-N 3.16Å
767	G	48.6	Very low	47.9	Very low	35 Å²	35	63.9 Å²	63.9	36%	0.361	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	-5.9	174.7	0	0	0	0	0	116.9	T765 F769	T765-G767 PolarHBondContact O-N 3.37Å; T765-G767 VanDerWaalsContact O-N 3.08Å; G767-F769 PolarHBondContact O-N 3.18Å
768	F	49.2	Very low	46.2	Very low	21 Å²	21	69.7 Å²	69.7	9%	0.092	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-48.9	-172.3	-64.5	-57.4	0	0	0	109.4	R698 I702 K705 T765 T766 N770	R698-F768 HydrophobicContact CB-CE2 4.48Å; I702-F768 HydrophobicContact CD1-CD1 3.95Å; I702-F768 HydrophobicContact CD1-CE1 3.38Å; I702-F768 HydrophobicContact CD1-CE2 4.46Å; I702-F768 HydrophobicContact CD1-CZ 3.68Å; I702-F768 HydrophobicContact CG1-CD1 3.55Å; I702-F768 HydrophobicContact CG1-CD2 4.26Å; I702-F768 HydrophobicContact CG1-CE1 3.51Å; I702-F768 HydrophobicContact CG1-CE2 4.25Å; I702-F768 HydrophobicContact CG1-CG 3.95Å; I702-F768 HydrophobicContact CG1-CZ 3.89Å; K705-F768 HydrophobicContact CD-CB 4.36Å; K705-F768 WeakPolarHBondContact CD-O 3.17Å; K705-F768 WeakPolarHBondContact CE-O 3.25Å; K705-F768 PolarHBondContact NZ-O 2.99Å; T765-F768 VanDerWaalsContact C-CD2 3.46Å; T765-F768 WeakPolarHBondContact O-CB 3.47Å; T765-F768 VanDerWaalsContact O-CD2 3.28Å; T765-F768 WeakPolarHBondContact O-CD2 3.43Å; T765-F768 PolarHBondContact O-N 3.33Å; T766-F768 WeakPolarHBondContact O-CD2 3.47Å; T766-F768 PolarHBondContact O-N 3.16Å; F768-N770 PolarHBondContact O-N 3.38Å
769	F	49.4	Very low	44.9	Very low	12 Å²	12	74.2 Å²	74.2	5%	0.053	41%	0.407	C	S	.	.	S	Bend	trans	-80	116	171	-58.3	-84.1	0	0	0	106.9	K705 L708 L754 T765 G767 C771	K705-F769 HydrophobicContact CB-CD1 4.27Å; K705-F769 HydrophobicContact CB-CE1 3.56Å; K705-F769 HydrophobicContact CB-CZ 3.78Å; K705-F769 HydrophobicContact CG-CD1 3.94Å; K705-F769 HydrophobicContact CG-CE1 3.72Å; K705-F769 HydrophobicContact CG-CZ 4.35Å; L708-F769 HydrophobicContact CD1-CE1 4.38Å; L754-F769 HydrophobicContact CB-CD2 4.44Å; L754-F769 HydrophobicContact CD1-CD1 4.3Å; L754-F769 HydrophobicContact CD1-CE1 3.67Å; L754-F769 HydrophobicContact CD1-CE2 4.11Å; L754-F769 HydrophobicContact CD1-CZ 3.58Å; T765-F769 HydrophobicContact CG2-CE2 4.49Å; G767-F769 PolarHBondContact O-N 3.18Å; F769-C771 VanDerWaalsContact CB-SG 3.5Å; F769-C771 PolarHBondContact O-N 3.44Å; F769-C771 PolarHBondContact O-SG 3.5Å
770	N	50.1	Low	44	Very low	130 Å²	130	74.5 Å²	74.5	70%	0.695	40%	0.401	S	S	*	.			trans	-64.3	69.2	176.4	-75.7	-12.5	0	0	0	110.2	F768 L772	F768-N770 PolarHBondContact O-N 3.38Å; N770-L772 PolarHBondContact O-N 3.12Å
771	C	61.4	Low	43.5	Very low	49 Å²	49	76.9 Å²	76.9	33%	0.331	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-79.5	-7.1	-172.3	-59	0	0	0	0	112.8	C755 F769	C755-C771 WeakPolarHBondContact CA-SG 3.16Å; C755-C771 HydrophobicContact CB-CB 3.72Å; C755-C771 WeakPolarHBondContact CB-SG 3.26Å; C755-C771 WeakPolarHBondContact SG-CB 3.37Å; C755-C771 CovalentContact SG-SG 2.04Å; C755-C771 PolarHBondContact SG-SG 3.01Å; F769-C771 VanDerWaalsContact CB-SG 3.5Å; F769-C771 PolarHBondContact O-N 3.44Å; F769-C771 PolarHBondContact O-SG 3.5Å
772	L	48.8	Very low	42.8	Very low	161 Å²	161	83.9 Å²	83.9	84%	0.843	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-76.6	-20.2	-174.8	-79.1	157.2	0	0	0	114.5	N770	N770-L772 PolarHBondContact O-N 3.12Å
773	N	40.3	Very low	42.5	Very low	125 Å²	125	84.5 Å²	84.5	67%	0.668	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-105.4	28	-172.7	-80.1	-3.5	0	0	0	114.9	S775 Q776	N773-S775 PolarHBondContact O-N 2.99Å; N773-Q776 PolarHBondContact O-N 3.24Å
774	H	34.6	Very low	41.7	Very low	137 Å²	137	88.9 Å²	88.9	63%	0.634	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	6.1	-175.9	-132	53.8	0	0	0	115.6	D752	D752-H774 IonicContact OD1-CE1 2.73Å; D752-H774 PolarHBondContact OD1-CE1 2.87Å; D752-H774 IonicContact OD1-NE2 3.68Å; D752-H774 PolarHBondContact OD1-NE2 2.98Å
775	S	34.4	Very low	41	Very low	110 Å²	110	92.2 Å²	92.2	77%	0.769	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-9.4	173.2	55.2	0	0	0	0	114.5	N773	N773-S775 PolarHBondContact O-N 2.99Å
776	Q	28.2	Very low	40.3	Very low	158 Å²	158	97.5 Å²	97.5	74%	0.738	51%	0.513	S	S	*	.	S	Bend	trans	-113.6	109.4	168.4	-71.7	-170.9	-17.5	0	0	108.1	N773 M778	N773-Q776 PolarHBondContact O-N 3.24Å; Q776-M778 PolarHBondContact O-N 2.89Å
777	P	29.3	Very low	39.7	Very low	98 Å²	98	104 Å²	104	64%	0.636	55%	0.545	S	S	*	.			trans	-52.5	116	161.5	22.6	-29.9	0	0	0	105.4	Y779	P777-Y779 CarbonylContact O-C 3.55Å; P777-Y779 PolarHBondContact O-N 3.33Å
778	M	33.1	Very low	39	Very low	137 Å²	137	109 Å²	109	68%	0.675	56%	0.563	S	S	*	*	S	Bend	trans	-65.8	94.8	-177.3	-158.8	-168.9	164.6	0	0	105.2	Q776 Y781	Q776-M778 PolarHBondContact O-N 2.89Å; M778-Y781 WeakPolarHBondContact O-CE2 3.34Å
779	Y	35.3	Very low	38	Very low	142 Å²	142	112.9 Å²	112.9	56%	0.557	59%	0.585	S	S	*	*	S	Bend	trans	69.6	120.9	-161.2	-53.3	-86.8	0	0	0	114.8	P777 Y781	P777-Y779 CarbonylContact O-C 3.55Å; P777-Y779 PolarHBondContact O-N 3.33Å; Y779-Y781 HydrophobicContact CD2-CE1 4.21Å; Y779-Y781 AromaticContact CD2-CZ 3.84Å; Y779-Y781 WeakPolarHBondContact CD2-OH 3.41Å; Y779-Y781 HydrophobicContact CG-CE1 4.02Å; Y779-Y781 WeakPolarHBondContact O-CD2 3.39Å; Y779-Y781 PolarHBondContact O-N 3.47Å
780	D	33.1	Very low	36.9	Very low	100 Å²	100	119.3 Å²	119.3	54%	0.535	63%	0.625	S	S	.	*			trans	-70.5	73.6	162.8	-172.8	2.1	0	0	0	108.6	H782 S783	D780-H782 PolarHBondContact O-N 3.15Å; D780-S783 WeakPolarHBondContact O-CB 2.83Å; D780-S783 PolarHBondContact O-N 3.37Å; D780-S783 VanDerWaalsContact O-N 3.07Å; D780-S783 PolarHBondContact O-OG 2.89Å
781	Y	40.3	Very low	35.7	Very low	79 Å²	79	121.6 Å²	121.6	31%	0.31	63%	0.625	S	S	.	*	H	α-helix	trans	-60.9	-26.6	-170.7	-73.8	-67.4	0	0	0	113.2	W716 M778 Y779 S783 Q784	W716-Y781 AromaticContact CD1-CD1 3.64Å; W716-Y781 AromaticContact CD1-CE1 3.48Å; W716-Y781 VanDerWaalsContact CD1-CE1 3.48Å; W716-Y781 HydrophobicContact CD2-CE1 4.08Å; W716-Y781 AromaticContact CE2-CD1 3.8Å; W716-Y781 AromaticContact CE2-CE1 3.44Å; W716-Y781 VanDerWaalsContact CE2-CE1 3.44Å; W716-Y781 HydrophobicContact CG-CE1 4.1Å; W716-Y781 HydrophobicContact CZ2-CD1 4.26Å; W716-Y781 AromaticContact CZ2-CE1 3.92Å; W716-Y781 HydrophobicContact CZ2-CE1 3.92Å; W716-Y781 AromaticContact NE1-CD1 3.05Å; W716-Y781 AromaticContact NE1-CE1 3.06Å; M778-Y781 WeakPolarHBondContact O-CE2 3.34Å; Y779-Y781 HydrophobicContact CD2-CE1 4.21Å; Y779-Y781 AromaticContact CD2-CZ 3.84Å; Y779-Y781 WeakPolarHBondContact CD2-OH 3.41Å; Y779-Y781 HydrophobicContact CG-CE1 4.02Å; Y779-Y781 WeakPolarHBondContact O-CD2 3.39Å; Y779-Y781 PolarHBondContact O-N 3.47Å; Y781-S783 VanDerWaalsContact C-N 3.34Å; Y781-Q784 PolarHBondContact O-N 3.47Å
782	H	37.5	Very low	34	Very low	154 Å²	154	128.4 Å²	128.4	71%	0.713	65%	0.652	S	S	*	*	H	α-helix	trans	-68.3	-33.2	176.3	-78.3	-60.8	0	0	0	112.4	D780 Q784 L785	D780-H782 PolarHBondContact O-N 3.15Å; H782-Q784 VanDerWaalsContact C-N 3.29Å; H782-Q784 PolarHBondContact O-N 3.35Å; H782-L785 PolarHBondContact O-N 3.46Å
783	S	40	Very low	33.1	Very low	71 Å²	71	129 Å²	129	50%	0.497	65%	0.648	S	S	.	*	H	α-helix	trans	-65.5	-30.7	179.8	71.8	0	0	0	0	113.2	D780 Y781	D780-S783 WeakPolarHBondContact O-CB 2.83Å; D780-S783 PolarHBondContact O-N 3.37Å; D780-S783 VanDerWaalsContact O-N 3.07Å; D780-S783 PolarHBondContact O-OG 2.89Å; Y781-S783 VanDerWaalsContact C-N 3.34Å
784	Q	35.5	Very low	32.4	Very low	131 Å²	131	128.1 Å²	128.1	61%	0.612	65%	0.649	S	S	*	*	H	α-helix	trans	-81.9	-16.1	179.1	-69.5	-174.1	-1.1	0	0	113.8	Y781 H782 N786	Y781-Q784 PolarHBondContact O-N 3.47Å; H782-Q784 VanDerWaalsContact C-N 3.29Å; H782-Q784 PolarHBondContact O-N 3.35Å; Q784-N786 VanDerWaalsContact C-N 3.27Å; Q784-N786 PolarHBondContact O-N 3.02Å
785	L	36.3	Very low	32.1	Very low	70 Å²	70	127 Å²	127	37%	0.366	66%	0.657	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83	-2.6	178.2	-73.4	168	0	0	0	113.3	L723 H782 M787	L723-L785 HydrophobicContact CD1-CD2 3.15Å; L723-L785 HydrophobicContact CG-CD2 4.49Å; H782-L785 PolarHBondContact O-N 3.46Å; L785-M787 VanDerWaalsContact C-N 3.35Å; L785-M787 PolarHBondContact O-N 2.93Å
786	N	32.7	Very low	31.8	Very low	122 Å²	122	130.7 Å²	130.7	65%	0.652	66%	0.656	S	S	*	*			trans	-76.7	87.5	179.8	-141.9	-4.6	0	0	0	109.9	Q784 N788	Q784-N786 VanDerWaalsContact C-N 3.27Å; Q784-N786 PolarHBondContact O-N 3.02Å; N786-N788 PolarHBondContact O-N 3.4Å
787	M	35.1	Very low	31.8	Very low	142 Å²	142	130.7 Å²	130.7	70%	0.7	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	3.8	-173.6	-72.6	-76.4	-115.5	0	0	116	L785 N789	L785-M787 VanDerWaalsContact C-N 3.35Å; L785-M787 PolarHBondContact O-N 2.93Å; M787-N789 VanDerWaalsContact C-N 3.35Å
788	N	35.3	Very low	31.8	Very low	141 Å²	141	136.4 Å²	136.4	75%	0.754	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-11.6	-178	-78.5	0.9	0	0	0	114.4	N786	N786-N788 PolarHBondContact O-N 3.4Å
789	N	27.1	Very low	31.7	Very low	101 Å²	101	135.4 Å²	135.4	54%	0.54	67%	0.666	S	S	.	*	S	Bend	trans	-105.9	108	174.8	-74.2	5.3	0	0	0	109.8	M787 Y791	M787-N789 VanDerWaalsContact C-N 3.35Å; N789-Y791 HydrophobicContact CB-CD2 3.62Å; N789-Y791 HydrophobicContact CB-CE2 3.28Å; N789-Y791 PolarHBondContact ND2-OH 2.88Å; N789-Y791 WeakPolarHBondContact O-CD2 3.47Å; N789-Y791 PolarHBondContact O-N 3.38Å
790	T	26.2	Very low	31.5	Very low	147 Å²	147	133.4 Å²	133.4	90%	0.902	68%	0.679	S	S	*	*			trans	-64.7	78.4	169.2	-29.7	0	0	0	0	108.8	Q792	T790-Q792 PolarHBondContact O-N 3.34Å
791	Y	26.6	Very low	31.4	Very low	178 Å²	178	132.7 Å²	132.7	70%	0.698	68%	0.682	S	S	*	*			trans	-75.1	110.5	175.8	-78.5	-74.7	0	0	0	109.1	N789 F793	N789-Y791 HydrophobicContact CB-CD2 3.62Å; N789-Y791 HydrophobicContact CB-CE2 3.28Å; N789-Y791 PolarHBondContact ND2-OH 2.88Å; N789-Y791 WeakPolarHBondContact O-CD2 3.47Å; N789-Y791 PolarHBondContact O-N 3.38Å; Y791-F793 WeakPolarHBondContact O-CD2 3.09Å; Y791-F793 PolarHBondContact O-N 3.2Å; Y791-F793 VanDerWaalsContact O-N 3.14Å
792	Q	25	Very low	30.9	Very low	192 Å²	192	135.1 Å²	135.1	90%	0.897	70%	0.7	S	S	*	*			trans	-68.8	106.2	170.8	-158.5	170.2	-0.4	0	0	108.1	T790 P794	T790-Q792 PolarHBondContact O-N 3.34Å; Q792-P794 WeakPolarHBondContact O-CD 3.41Å
793	F	28.9	Very low	30.4	Very low	173 Å²	173	138.4 Å²	138.4	76%	0.759	71%	0.706	S	S	*	*			trans	-61.6	123.4	-174.6	-79.1	-96.4	0	0	0	112.2	Y791 S795	Y791-F793 WeakPolarHBondContact O-CD2 3.09Å; Y791-F793 PolarHBondContact O-N 3.2Å; Y791-F793 VanDerWaalsContact O-N 3.14Å; F793-S795 PolarHBondContact O-N 2.04Å
794	P	26.2	Very low	29.8	Very low	107 Å²	107	145.2 Å²	145.2	70%	0.695	73%	0.727	S	S	*	*			trans	-71.3	118.7	157.3	-7.2	24.4	0	0	0	107.8	Q792 Y796	Q792-P794 WeakPolarHBondContact O-CD 3.41Å; P794-Y796 PolarHBondContact O-N 2.67Å; P794-Y796 VanDerWaalsContact O-N 3.15Å
795	S	29.2	Very low	29.4	Very low	114 Å²	114	146.6 Å²	146.6	80%	0.797	73%	0.733	S	S	*	*			trans	-50.3	113.1	178	32.4	0	0	0	0	111.9	F793 N797	F793-S795 PolarHBondContact O-N 2.04Å; S795-N797 VanDerWaalsContact C-N 3.3Å; S795-N797 PolarHBondContact O-N 3.01Å
796	Y	27.5	Very low	28.9	Very low	187 Å²	187	148 Å²	148	73%	0.733	76%	0.755	S	S	*	*			trans	-70	75.6	177.3	-96.1	-90.5	0	0	0	111.5	P794 L799	P794-Y796 PolarHBondContact O-N 2.67Å; P794-Y796 VanDerWaalsContact O-N 3.15Å; Y796-L799 HydrophobicContact CD1-CD1 3.73Å; Y796-L799 HydrophobicContact CE1-CD1 3.83Å
797	N	28.3	Very low	28.5	Very low	158 Å²	158	149.4 Å²	149.4	85%	0.845	76%	0.757	S	S	*	*			trans	-106.6	13.9	166.7	-98.4	-6	0	0	0	113.6	S795	S795-N797 VanDerWaalsContact C-N 3.3Å; S795-N797 PolarHBondContact O-N 3.01Å
798	R	29.7	Very low	28.2	Very low	218 Å²	218	148.1 Å²	148.1	82%	0.823	76%	0.76	S	S	*	*			trans	-114	19.5	-177.1	-113.7	-172	-160.2	-166.9	6.5	116.5
799	L	29.5	Very low	27.8	Very low	116 Å²	116	152.4 Å²	152.4	61%	0.607	77%	0.765	S	S	*	*	S	Bend	trans	-88.8	-7.3	171.7	-100.1	154.8	0	0	0	114	Y796 S801 L802	Y796-L799 HydrophobicContact CD1-CD1 3.73Å; Y796-L799 HydrophobicContact CE1-CD1 3.83Å; L799-S801 VanDerWaalsContact C-N 3.31Å; L799-S801 PolarHBondContact O-N 3.1Å; L799-L802 HydrophobicContact CD2-CD1 3.86Å
800	A	31.4	Very low	27.8	Very low	100 Å²	100	153.4 Å²	153.4	83%	0.826	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-10.5	172.8	0	0	0	0	0	114
801	S	31.8	Very low	27.9	Very low	85 Å²	85	152.8 Å²	152.8	59%	0.594	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.5	8.5	-178.7	65.5	0	0	0	0	115.1	L799 R803	L799-S801 VanDerWaalsContact C-N 3.31Å; L799-S801 PolarHBondContact O-N 3.1Å; S801-R803 PolarHBondContact O-N 3.44Å
802	L	28.5	Very low	28.1	Very low	130 Å²	130	151.6 Å²	151.6	68%	0.681	77%	0.772	S	S	*	*			trans	-78.8	52.4	164	-77.8	163.5	0	0	0	110.3	L799 F804	L799-L802 HydrophobicContact CD2-CD1 3.86Å; L802-F804 PolarHBondContact O-N 3.07Å
803	R	27.9	Very low	28.3	Very low	223 Å²	223	150 Å²	150	84%	0.842	76%	0.764	S	S	*	*			trans	-68.1	117.3	149.5	-84.5	-176	-178.5	162.3	1.2	105.5	S801 Q805	S801-R803 PolarHBondContact O-N 3.44Å; R803-Q805 VanDerWaalsContact C-N 3.3Å; R803-Q805 PolarHBondContact O-N 3.45Å
804	F	26.9	Very low	28.3	Very low	214 Å²	214	148.9 Å²	148.9	94%	0.939	77%	0.772	S	S	*	*			trans	-43.4	87.3	171.9	-71.1	-98.5	0	0	0	112	L802	L802-F804 PolarHBondContact O-N 3.07Å
805	Q	26.5	Very low	28.4	Very low	161 Å²	161	148.2 Å²	148.2	75%	0.752	77%	0.77	S	S	*	*			trans	-95.6	95.2	154.9	-85.9	-173.3	-18.7	0	0	106.4	R803 H807	R803-Q805 VanDerWaalsContact C-N 3.3Å; R803-Q805 PolarHBondContact O-N 3.45Å; Q805-H807 VanDerWaalsContact C-N 3.3Å; Q805-H807 PolarHBondContact O-N 2.88Å
806	A	27.2	Very low	28.3	Very low	99 Å²	99	149.8 Å²	149.8	82%	0.818	77%	0.768	S	S	*	*			trans	-56.3	92.6	169.5	0	0	0	0	0	109.5
807	H	23.7	Very low	28.1	Very low	151 Å²	151	149.1 Å²	149.1	70%	0.699	77%	0.773	S	S	*	*			trans	-93.1	109.3	161.9	-82.3	73.3	0	0	0	107	Q805 R809	Q805-H807 VanDerWaalsContact C-N 3.3Å; Q805-H807 PolarHBondContact O-N 2.88Å; H807-R809 PolarHBondContact O-N 3.16Å
808	P	28.7	Very low	28	Very low	116 Å²	116	149.2 Å²	149.2	75%	0.753	77%	0.768	S	S	*	*			trans	-67.6	108.5	177.5	1.8	11.9	0	0	0	107.5	T810	P808-T810 PolarHBondContact O-N 3.39Å
809	R	27.7	Very low	27.9	Very low	231 Å²	231	143.5 Å²	143.5	87%	0.872	75%	0.754	S	S	*	*			trans	-66	105.8	168.4	-93.1	-179.1	169.1	164.9	-4	108.2	H807 N811	H807-R809 PolarHBondContact O-N 3.16Å; R809-N811 VanDerWaalsContact C-N 3.29Å; R809-N811 PolarHBondContact O-N 3.45Å
810	T	26.5	Very low	27.8	Very low	122 Å²	122	141.4 Å²	141.4	75%	0.748	75%	0.748	S	S	*	*			trans	-67.8	81.7	170.9	50.7	0	0	0	0	109.7	P808 N812	P808-T810 PolarHBondContact O-N 3.39Å; T810-N812 PolarHBondContact O-N 3.05Å
811	N	28.9	Very low	27.8	Very low	133 Å²	133	139.8 Å²	139.8	71%	0.711	73%	0.727	S	S	*	*			trans	-85.5	104.1	163.5	-78.9	-2.3	0	0	0	107.7	R809 H813	R809-N811 VanDerWaalsContact C-N 3.29Å; R809-N811 PolarHBondContact O-N 3.45Å; N811-H813 VanDerWaalsContact C-N 3.28Å; N811-H813 PolarHBondContact O-N 3.43Å
812	N	30.4	Very low	27.7	Very low	153 Å²	153	140 Å²	140	82%	0.818	72%	0.722	S	S	*	*			trans	-59.2	86.6	170.8	-76.8	-19.1	0	0	0	110.2	T810	T810-N812 PolarHBondContact O-N 3.05Å
813	H	28.5	Very low	27.6	Very low	159 Å²	159	141 Å²	141	74%	0.736	72%	0.723	S	S	*	*			trans	-120	108.4	154.6	-77.3	-60	0	0	0	107.2	N811 S815	N811-H813 VanDerWaalsContact C-N 3.28Å; N811-H813 PolarHBondContact O-N 3.43Å; H813-S815 PolarHBondContact O-N 3.47Å
814	T	29.9	Very low	27.7	Very low	150 Å²	150	135.5 Å²	135.5	92%	0.92	71%	0.709	S	S	*	*			trans	-64.9	61.7	168.4	44.8	0	0	0	0	110
815	S	27.4	Very low	28.1	Very low	93 Å²	93	126.7 Å²	126.7	65%	0.65	67%	0.671	S	S	*	*			trans	-84.5	114.3	156.2	52.6	0	0	0	0	106.1	H813 M817	H813-S815 PolarHBondContact O-N 3.47Å; S815-M817 PolarHBondContact O-N 3.18Å; S815-M817 VanDerWaalsContact O-N 3.1Å
816	I	26.7	Very low	28.5	Very low	146 Å²	146	122.9 Å²	122.9	75%	0.749	66%	0.655	S	S	*	*			trans	-13.5	109.8	163.4	-64.2	162.5	0	0	0	109.9	H818	I816-H818 PolarHBondContact O-N 2.93Å
817	M	24.7	Very low	28.8	Very low	173 Å²	173	123 Å²	123	85%	0.852	64%	0.641	S	S	*	*			trans	-56.3	78.5	173.7	-76.1	-100.9	160.2	0	0	109.1	S815 D819	S815-M817 PolarHBondContact O-N 3.18Å; S815-M817 VanDerWaalsContact O-N 3.1Å; M817-D819 PolarHBondContact O-N 3.38Å
818	H	25.9	Very low	29.4	Very low	160 Å²	160	121.8 Å²	121.8	74%	0.741	63%	0.631	S	S	*	*			trans	-60.4	102.4	145.5	-82	-65.9	0	0	0	104.3	I816	I816-H818 PolarHBondContact O-N 2.93Å
819	D	27.8	Very low	30.1	Very low	99 Å²	99	119 Å²	119	53%	0.529	61%	0.606	S	S	.	*			trans	-30.1	111.4	177	-149	-14.9	0	0	0	109.7	M817 V821 N822	M817-D819 PolarHBondContact O-N 3.38Å; D819-V821 PolarHBondContact O-N 3.48Å; D819-N822 PolarHBondContact O-N 3.43Å; D819-N822 VanDerWaalsContact O-N 3.08Å
820	P	27.3	Very low	31	Very low	72 Å²	72	111.1 Å²	111.1	47%	0.468	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.2	-9	-172.6	20.1	-30	0	0	0	112.9	N822 H823 I824	P820-N822 VanDerWaalsContact C-N 3.26Å; P820-N822 PolarHBondContact O-N 2.88Å; P820-H823 PolarHBondContact O-N 2.95Å; P820-I824 HydrophobicContact CB-CD1 4.4Å; P820-I824 WeakPolarHBondContact O-CD1 3.45Å; P820-I824 VanDerWaalsContact O-CG1 3.27Å; P820-I824 WeakPolarHBondContact O-CG1 3.28Å; P820-I824 PolarHBondContact O-N 3.23Å
821	V	31.6	Very low	31.9	Very low	65 Å²	65	109.4 Å²	109.4	39%	0.394	57%	0.566	S	S	.	*	H	α-helix	trans	-51.6	-40.4	168.8	-175.9	0	0	0	0	112.1	D819 H823 I824 D825	D819-V821 PolarHBondContact O-N 3.48Å; V821-H823 PolarHBondContact O-N 3.44Å; V821-I824 PolarHBondContact O-N 2.82Å; V821-D825 WeakPolarHBondContact O-CB 3.38Å; V821-D825 PolarHBondContact O-N 2.9Å
822	N	29.3	Very low	32.8	Very low	90 Å²	90	108.7 Å²	108.7	48%	0.481	56%	0.56	S	S	.	*	H	α-helix	trans	-70.1	-30.6	-174	-80.4	-12.8	0	0	0	114.5	D819 P820	D819-N822 PolarHBondContact O-N 3.43Å; D819-N822 VanDerWaalsContact O-N 3.08Å; P820-N822 VanDerWaalsContact C-N 3.26Å; P820-N822 PolarHBondContact O-N 2.88Å
823	H	26.9	Very low	34.3	Very low	152 Å²	152	107.7 Å²	107.7	70%	0.704	55%	0.55	S	S	*	*	H	α-helix	trans	-88.3	-31	178.9	-140.7	-27.3	0	0	0	112.4	P820 V821	P820-H823 PolarHBondContact O-N 2.95Å; V821-H823 PolarHBondContact O-N 3.44Å
824	I	29.4	Very low	36.5	Very low	106 Å²	106	100.5 Å²	100.5	54%	0.544	52%	0.517	S	S	.	.	H	α-helix	trans	-64.9	-35.1	171.6	-65.4	169.5	0	0	0	109.6	P820 V821 Y828	P820-I824 HydrophobicContact CB-CD1 4.4Å; P820-I824 WeakPolarHBondContact O-CD1 3.45Å; P820-I824 VanDerWaalsContact O-CG1 3.27Å; P820-I824 WeakPolarHBondContact O-CG1 3.28Å; P820-I824 PolarHBondContact O-N 3.23Å; V821-I824 PolarHBondContact O-N 2.82Å; I824-Y828 WeakPolarHBondContact O-CB 3.41Å; I824-Y828 PolarHBondContact O-N 3.39Å
825	D	36.2	Very low	38.9	Very low	30 Å²	30	96.3 Å²	96.3	16%	0.16	49%	0.492	C	S	.	.	H	α-helix	trans	-69.6	-39.8	-175.4	-94.9	-4.1	0	0	0	114.6	V821 N827 Y828 Y829	V821-D825 WeakPolarHBondContact O-CB 3.38Å; V821-D825 PolarHBondContact O-N 2.9Å; D825-N827 PolarHBondContact O-N 3.38Å; D825-Y828 PolarHBondContact O-N 3.4Å; D825-Y829 VanDerWaalsContact C-CD2 3.44Å; D825-Y829 HydrophobicContact CB-CD2 3.55Å; D825-Y829 HydrophobicContact CB-CE2 3.15Å; D825-Y829 WeakPolarHBondContact O-CB 3.49Å; D825-Y829 WeakPolarHBondContact O-CD2 3.39Å; D825-Y829 PolarHBondContact O-N 2.81Å; D825-Y829 VanDerWaalsContact OD1-CE2 3.25Å; D825-Y829 WeakPolarHBondContact OD1-CE2 3.23Å; D825-Y829 PolarHBondContact OD1-OH 3.42Å; D825-Y829 WeakPolarHBondContact OD2-CE2 3.24Å; D825-Y829 VanDerWaalsContact OD2-CZ 3.27Å; D825-Y829 PolarHBondContact OD2-OH 3.02Å
826	M	33.8	Very low	41.6	Very low	81 Å²	81	92.1 Å²	92.1	40%	0.399	46%	0.463	S	S	.	.	H	α-helix	trans	-59.8	-45.4	178.5	-78	-64	-66.4	0	0	112.6	I662 E830	I662-M826 HydrophobicContact CD1-CG 4.25Å; I662-M826 HydrophobicContact CD1-SD 3.65Å; I662-M826 HydrophobicContact CG1-SD 4.43Å; M826-E830 PolarHBondContact O-N 2.95Å
827	N	33.1	Very low	44.2	Very low	100 Å²	100	86.1 Å²	86.1	54%	0.535	43%	0.432	S	S	.	.	H	α-helix	trans	-76.7	-28.5	177.6	-84.8	-12.8	0	0	0	112.9	D825 N831	D825-N827 PolarHBondContact O-N 3.38Å; N827-N831 WeakPolarHBondContact O-CB 3.47Å; N827-N831 PolarHBondContact O-ND2 2.86Å
828	Y	35.8	Very low	46.9	Very low	126 Å²	126	78.2 Å²	78.2	49%	0.494	39%	0.393	S	S	.	.	H	α-helix	trans	-74.1	-33	176.6	-171.8	-99	0	0	0	112	I824 D825	I824-Y828 WeakPolarHBondContact O-CB 3.41Å; I824-Y828 PolarHBondContact O-N 3.39Å; D825-Y828 PolarHBondContact O-N 3.4Å
829	Y	44.7	Very low	49.9	Very low	58 Å²	58	71 Å²	71	23%	0.227	36%	0.36	C	S	.	.	H	α-helix	trans	-88.8	-28.9	-174	-67.7	-47.3	0	0	0	115.5	T403 D825	T403-Y829 HydrophobicContact CG2-CE1 4.26Å; D825-Y829 VanDerWaalsContact C-CD2 3.44Å; D825-Y829 HydrophobicContact CB-CD2 3.55Å; D825-Y829 HydrophobicContact CB-CE2 3.15Å; D825-Y829 WeakPolarHBondContact O-CB 3.49Å; D825-Y829 WeakPolarHBondContact O-CD2 3.39Å; D825-Y829 PolarHBondContact O-N 2.81Å; D825-Y829 VanDerWaalsContact OD1-CE2 3.25Å; D825-Y829 WeakPolarHBondContact OD1-CE2 3.23Å; D825-Y829 PolarHBondContact OD1-OH 3.42Å; D825-Y829 WeakPolarHBondContact OD2-CE2 3.24Å; D825-Y829 VanDerWaalsContact OD2-CZ 3.27Å; D825-Y829 PolarHBondContact OD2-OH 3.02Å
830	E	46	Very low	52.6	Low	65 Å²	65	66.5 Å²	66.5	30%	0.304	34%	0.336	S	S	.	.	H	α-helix	trans	-88	-21.6	-179.9	-67.7	-171.4	172.2	0	0	113.4	M826	M826-E830 PolarHBondContact O-N 2.95Å
831	N	44.6	Very low	55.2	Low	87 Å²	87	64.2 Å²	64.2	47%	0.465	32%	0.319	S	S	.	.	S	Bend	trans	-88.2	-9.3	-175.3	-76.4	-38	0	0	0	114.6	N827	N827-N831 WeakPolarHBondContact O-CB 3.47Å; N827-N831 PolarHBondContact O-ND2 2.86Å
832	M	48	Very low	57.8	Low	118 Å²	118	61.1 Å²	61.1	58%	0.581	30%	0.3	S	S	*	.	S	Bend	trans	-86.7	125.3	176.4	-78.7	-78.4	151.6	0	0	109.6	N834	M832-N834 PolarHBondContact O-N 3.02Å
833	Q	62.6	Low	60.5	Low	132 Å²	132	57 Å²	57	62%	0.617	28%	0.278	S	S	*	.			trans	-62.1	49.4	167.1	-68	172.9	-27.8	0	0	111.4	N699 P835	N699-Q833 PolarHBondContact OD1-NE2 3.46Å; Q833-P835 VanDerWaalsContact O-CD 3.28Å; Q833-P835 WeakPolarHBondContact O-CD 3.4Å
834	N	74.9	Confident	63.1	Low	7 Å²	7	51.8 Å²	51.8	4%	0.037	25%	0.254	C	S	.	.			trans	-83.9	111.5	179.5	-177.8	-14.8	0	0	0	108.6	F402 T403 I404 Q405 M832 S836 L837 I838	F402-N834 PolarHBondContact O-ND2 2.92Å; T403-N834 PolarHBondContact O-ND2 2.81Å; I404-N834 VanDerWaalsContact C-ND2 3.3Å; I404-N834 PolarHBondContact O-ND2 3.13Å; I404-N834 VanDerWaalsContact O-ND2 3.15Å; Q405-N834 PolarHBondContact O-OD1 2.84Å; M832-N834 PolarHBondContact O-N 3.02Å; N834-S836 PolarHBondContact O-N 3.11Å; N834-S836 VanDerWaalsContact O-N 3.17Å; N834-S836 WeakPolarHBondContact OD1-CB 3.31Å; N834-S836 PolarHBondContact OD1-N 3.49Å; N834-L837 HydrophobicContact CB-CB 4.36Å; N834-L837 HydrophobicContact CB-CD1 4.13Å; N834-L837 HydrophobicContact CB-CG 4.18Å; N834-L837 PolarHBondContact O-N 2.95Å; N834-I838 PolarHBondContact O-N 3.41Å; N834-I838 VanDerWaalsContact O-N 3.16Å
835	P	80.3	Confident	65.5	Low	63 Å²	63	46.8 Å²	46.8	41%	0.409	23%	0.228	S	C	.	.	H	α-helix	trans	-60.8	-29.7	-177.4	25.5	-34.9	0	0	0	112.7	V691 Q833 L837 I838 E839	V691-P835 HydrophobicContact CG1-CB 4.38Å; Q833-P835 VanDerWaalsContact O-CD 3.28Å; Q833-P835 WeakPolarHBondContact O-CD 3.4Å; P835-L837 VanDerWaalsContact C-N 3.35Å; P835-L837 PolarHBondContact O-N 3.47Å; P835-I838 PolarHBondContact O-N 3.34Å; P835-E839 WeakPolarHBondContact O-CB 3.28Å; P835-E839 PolarHBondContact O-N 3.1Å
836	S	83.1	Confident	67.8	Low	4 Å²	4	45.3 Å²	45.3	3%	0.028	22%	0.221	C	C	.	.	H	α-helix	trans	-66.3	-36.4	177.6	-59.2	0	0	0	0	111.9	Q405 G407 S408 N834 L840	Q405-S836 PolarHBondContact O-OG 2.9Å; Q405-S836 VanDerWaalsContact O-OG 3.08Å; G407-S836 PolarHBondContact N-OG 3.37Å; S408-S836 PolarHBondContact N-OG 2.59Å; N834-S836 PolarHBondContact O-N 3.11Å; N834-S836 VanDerWaalsContact O-N 3.17Å; N834-S836 WeakPolarHBondContact OD1-CB 3.31Å; N834-S836 PolarHBondContact OD1-N 3.49Å; S836-L840 PolarHBondContact O-N 2.87Å
837	L	82	Confident	70.1	Confident	20 Å²	20	42.8 Å²	42.8	11%	0.105	21%	0.207	C	C	.	.	H	α-helix	trans	-75	-37	176.6	-67.6	179.3	0	0	0	111.6	F402 N834 P835 E839 L840 Q841	F402-L837 HydrophobicContact CB-CD2 4.45Å; N834-L837 HydrophobicContact CB-CB 4.36Å; N834-L837 HydrophobicContact CB-CD1 4.13Å; N834-L837 HydrophobicContact CB-CG 4.18Å; N834-L837 PolarHBondContact O-N 2.95Å; P835-L837 VanDerWaalsContact C-N 3.35Å; P835-L837 PolarHBondContact O-N 3.47Å; L837-E839 VanDerWaalsContact C-N 3.32Å; L837-L840 PolarHBondContact O-N 3.49Å; L837-Q841 WeakPolarHBondContact O-CG 3.36Å; L837-Q841 PolarHBondContact O-N 3.05Å
838	I	81.8	Confident	72.1	Confident	7 Å²	7	40.1 Å²	40.1	4%	0.036	20%	0.195	C	C	.	.	H	α-helix	trans	-61.1	-43.4	174.1	-66.4	172.7	0	0	0	110.5	V691 Y694 D695 N834 P835 L840 Q841 I842	V691-I838 HydrophobicContact CG1-CB 4.33Å; V691-I838 HydrophobicContact CG1-CG2 3.93Å; Y694-I838 HydrophobicContact CD1-CG2 3.45Å; Y694-I838 VanDerWaalsContact CD1-CG2 3.45Å; Y694-I838 HydrophobicContact CE1-CG2 4Å; Y694-I838 HydrophobicContact CG-CG2 4.45Å; D695-I838 HydrophobicContact CB-CD1 3.92Å; D695-I838 WeakPolarHBondContact OD1-CD1 3.48Å; N834-I838 PolarHBondContact O-N 3.41Å; N834-I838 VanDerWaalsContact O-N 3.16Å; P835-I838 PolarHBondContact O-N 3.34Å; I838-L840 VanDerWaalsContact C-N 3.33Å; I838-L840 PolarHBondContact O-N 3.27Å; I838-Q841 WeakPolarHBondContact O-CB 3.22Å; I838-Q841 PolarHBondContact O-N 3.37Å; I838-Q841 VanDerWaalsContact O-N 3.08Å; I838-I842 HydrophobicContact CG2-CD1 4.33Å; I838-I842 PolarHBondContact O-N 3.05Å
839	E	87.7	Confident	73.6	Confident	10 Å²	10	37.8 Å²	37.8	5%	0.047	19%	0.191	C	C	.	.	H	α-helix	trans	-54.6	-48.9	174.2	-171	-175.4	147	0	0	111.3	S408 R673 V691 P835 L837 Q841 I842 I843	S408-E839 VanDerWaalsContact CB-OE2 3.29Å; S408-E839 WeakPolarHBondContact CB-OE2 3.3Å; S408-E839 PolarHBondContact OG-OE1 3.4Å; S408-E839 PolarHBondContact OG-OE2 3Å; R673-E839 IonicContact CZ-OE1 3.6Å; R673-E839 VanDerWaalsContact CZ-OE1 3.3Å; R673-E839 IonicContact NE-OE1 3.63Å; R673-E839 PolarHBondContact NE-OE1 3.31Å; R673-E839 IonicContact NH2-OE1 3.65Å; R673-E839 PolarHBondContact NH2-OE1 2.91Å; R673-E839 VanDerWaalsContact NH2-OE1 3.14Å; V691-E839 HydrophobicContact CG2-CB 3.91Å; V691-E839 HydrophobicContact CG2-CG 4.15Å; P835-E839 WeakPolarHBondContact O-CB 3.28Å; P835-E839 PolarHBondContact O-N 3.1Å; L837-E839 VanDerWaalsContact C-N 3.32Å; E839-Q841 VanDerWaalsContact C-N 3.27Å; E839-Q841 PolarHBondContact O-N 3Å; E839-I842 PolarHBondContact O-N 3.32Å; E839-I842 VanDerWaalsContact O-N 3.14Å; E839-I843 WeakPolarHBondContact O-CG1 3.36Å; E839-I843 PolarHBondContact O-N 3.45Å
840	L	85.7	Confident	74.3	Confident	4 Å²	4	38.7 Å²	38.7	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-63	-31	177.2	-65.8	-176.7	0	0	0	113.4	F402 R666 R669 I670 R673 S836 L837 I838 Q844	F402-L840 HydrophobicContact CB-CD1 3.84Å; F402-L840 HydrophobicContact CD1-CD1 3.6Å; F402-L840 HydrophobicContact CD1-CD2 3.96Å; F402-L840 HydrophobicContact CD1-CG 3.67Å; F402-L840 HydrophobicContact CE1-CD1 4.32Å; F402-L840 HydrophobicContact CE1-CD2 3.82Å; F402-L840 HydrophobicContact CE1-CG 4.01Å; F402-L840 HydrophobicContact CG-CD1 3.78Å; F402-L840 HydrophobicContact CG-CG 4.35Å; F402-L840 HydrophobicContact CZ-CD2 4.39Å; R666-L840 HydrophobicContact CG-CD1 3.84Å; R669-L840 HydrophobicContact CB-CB 4.3Å; R669-L840 HydrophobicContact CB-CD2 4.22Å; I670-L840 HydrophobicContact CD1-CD1 4.39Å; I670-L840 HydrophobicContact CG1-CD1 3.86Å; I670-L840 HydrophobicContact CG1-CD2 3.91Å; R673-L840 HydrophobicContact CB-CD2 4.25Å; S836-L840 PolarHBondContact O-N 2.87Å; L837-L840 PolarHBondContact O-N 3.49Å; I838-L840 VanDerWaalsContact C-N 3.33Å; I838-L840 PolarHBondContact O-N 3.27Å; L840-Q844 WeakPolarHBondContact O-CB 3.5Å; L840-Q844 PolarHBondContact O-N 2.92Å
841	Q	81.5	Confident	75	Confident	23 Å²	23	41.5 Å²	41.5	11%	0.107	22%	0.22	C	C	.	.	H	α-helix	trans	-69.1	-40.9	173.7	-70.3	169.8	-11.6	0	0	111.6	R698 L837 I838 E839 I843 Q844 L845	R698-Q841 VanDerWaalsContact CZ-OE1 3.26Å; L837-Q841 WeakPolarHBondContact O-CG 3.36Å; L837-Q841 PolarHBondContact O-N 3.05Å; I838-Q841 WeakPolarHBondContact O-CB 3.22Å; I838-Q841 PolarHBondContact O-N 3.37Å; I838-Q841 VanDerWaalsContact O-N 3.08Å; E839-Q841 VanDerWaalsContact C-N 3.27Å; E839-Q841 PolarHBondContact O-N 3Å; Q841-I843 VanDerWaalsContact C-N 3.35Å; Q841-Q844 WeakPolarHBondContact O-CB 3.46Å; Q841-Q844 PolarHBondContact O-N 3.37Å; Q841-L845 WeakPolarHBondContact O-CG 3.41Å; Q841-L845 PolarHBondContact O-N 2.98Å
842	I	85.8	Confident	75.9	Confident	1 Å²	1	38 Å²	38	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-64.5	-42	175	-66.6	178.1	0	0	0	110.5	L687 L690 V691 Y694 I838 E839 Q844 L845 F846 F997 M1001	L687-I842 HydrophobicContact CB-CG2 4.25Å; L687-I842 HydrophobicContact CD2-CG2 3.93Å; L690-I842 HydrophobicContact CB-CD1 4.11Å; V691-I842 HydrophobicContact CB-CD1 4.3Å; V691-I842 HydrophobicContact CG2-CD1 3.83Å; Y694-I842 HydrophobicContact CD1-CD1 4.44Å; Y694-I842 HydrophobicContact CD1-CG1 4.36Å; Y694-I842 HydrophobicContact CG-CD1 4.18Å; Y694-I842 HydrophobicContact CG-CG1 4.24Å; I838-I842 HydrophobicContact CG2-CD1 4.33Å; I838-I842 PolarHBondContact O-N 3.05Å; E839-I842 PolarHBondContact O-N 3.32Å; E839-I842 VanDerWaalsContact O-N 3.14Å; I842-Q844 VanDerWaalsContact C-N 3.32Å; I842-Q844 PolarHBondContact O-N 3.48Å; I842-L845 WeakPolarHBondContact O-CB 3.21Å; I842-L845 PolarHBondContact O-N 3.32Å; I842-F846 PolarHBondContact O-N 3.13Å; I842-F997 HydrophobicContact CD1-CE2 4.34Å; I842-F997 HydrophobicContact CG1-CE2 4.46Å; I842-M1001 HydrophobicContact CG2-CE 4.38Å; I842-M1001 HydrophobicContact CG2-SD 4.32Å; I842-M1001 WeakPolarHBondContact O-CE 3.45Å
843	I	86	Confident	76.7	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-58.3	-45.4	172.9	-65.1	-54.2	0	0	0	110.6	Q672 R673 I676 L687 E839 Q841 L845 F846 F847	Q672-I843 HydrophobicContact CB-CG2 3.84Å; R673-I843 HydrophobicContact CB-CG1 4.22Å; R673-I843 HydrophobicContact CB-CG2 4.37Å; R673-I843 HydrophobicContact CG-CG1 4.3Å; I676-I843 HydrophobicContact CG2-CD1 4.07Å; L687-I843 HydrophobicContact CB-CD1 4.39Å; L687-I843 HydrophobicContact CD1-CD1 3.82Å; E839-I843 WeakPolarHBondContact O-CG1 3.36Å; E839-I843 PolarHBondContact O-N 3.45Å; Q841-I843 VanDerWaalsContact C-N 3.35Å; I843-L845 VanDerWaalsContact C-N 3.33Å; I843-L845 PolarHBondContact O-N 3.06Å; I843-F846 WeakPolarHBondContact O-CB 3.33Å; I843-F846 PolarHBondContact O-N 3.49Å; I843-F847 HydrophobicContact CG2-CD2 3.85Å; I843-F847 HydrophobicContact CG2-CE2 3.89Å; I843-F847 WeakPolarHBondContact O-CD2 3.44Å; I843-F847 PolarHBondContact O-N 3.1Å; I843-F847 VanDerWaalsContact O-N 3.11Å
844	Q	82.7	Confident	77	Confident	44 Å²	44	32.6 Å²	32.6	21%	0.206	18%	0.179	C	C	.	.	H	α-helix	trans	-57.6	-46.2	175.3	-179.6	69	36.6	0	0	111.6	R669 F763 L840 Q841 I842 F846 F847 T848	R669-Q844 HydrophobicContact CG-CB 4.4Å; F763-Q844 HydrophobicContact CE1-CG 4.42Å; F763-Q844 HydrophobicContact CZ-CG 4.06Å; L840-Q844 WeakPolarHBondContact O-CB 3.5Å; L840-Q844 PolarHBondContact O-N 2.92Å; Q841-Q844 WeakPolarHBondContact O-CB 3.46Å; Q841-Q844 PolarHBondContact O-N 3.37Å; I842-Q844 VanDerWaalsContact C-N 3.32Å; I842-Q844 PolarHBondContact O-N 3.48Å; Q844-F846 PolarHBondContact O-N 2.94Å; Q844-F847 PolarHBondContact O-N 3.33Å; Q844-T848 WeakPolarHBondContact O-CG2 3.42Å; Q844-T848 PolarHBondContact O-N 3.42Å; Q844-T848 VanDerWaalsContact O-N 3.13Å
845	L	79.9	Confident	77.2	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.2	-29.4	177.1	-70.2	171.6	0	0	0	112.3	Y694 F763 Q841 I842 I843 T848 Y852 F997 M1001	Y694-L845 HydrophobicContact CE2-CD1 4.09Å; F763-L845 HydrophobicContact CB-CD2 4.19Å; F763-L845 HydrophobicContact CD2-CD2 3.69Å; F763-L845 HydrophobicContact CE2-CD2 4.31Å; F763-L845 HydrophobicContact CG-CD2 4Å; Q841-L845 WeakPolarHBondContact O-CG 3.41Å; Q841-L845 PolarHBondContact O-N 2.98Å; I842-L845 WeakPolarHBondContact O-CB 3.21Å; I842-L845 PolarHBondContact O-N 3.32Å; I843-L845 VanDerWaalsContact C-N 3.33Å; I843-L845 PolarHBondContact O-N 3.06Å; L845-T848 PolarHBondContact O-OG1 3.11Å; L845-Y852 VanDerWaalsContact C-OH 3.27Å; L845-Y852 WeakPolarHBondContact CA-OH 3.44Å; L845-Y852 WeakPolarHBondContact CB-OH 3.01Å; L845-Y852 HydrophobicContact CD2-CE1 3.88Å; L845-Y852 VanDerWaalsContact CD2-OH 3.28Å; L845-Y852 WeakPolarHBondContact CD2-OH 3.36Å; L845-Y852 PolarHBondContact O-OH 3.14Å; L845-F997 HydrophobicContact CD1-CE1 4.34Å; L845-F997 HydrophobicContact CD1-CZ 4.12Å; L845-M1001 VanDerWaalsContact C-CE 3.41Å; L845-M1001 HydrophobicContact CB-CE 3.79Å
846	F	84.5	Confident	77.3	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-68.4	-46	174.6	175.3	-98.8	0	0	0	110.8	I676 L687 I842 I843 Q844 T848 N849 M1001 I1004 I1005 N1008 L1012	I676-F846 HydrophobicContact CD1-CD1 3.6Å; I676-F846 HydrophobicContact CD1-CE1 3.26Å; I676-F846 HydrophobicContact CD1-CE2 4.33Å; I676-F846 HydrophobicContact CD1-CG 4.27Å; I676-F846 HydrophobicContact CD1-CZ 3.67Å; I676-F846 HydrophobicContact CG1-CE1 4.39Å; L687-F846 HydrophobicContact CD1-CB 4.1Å; L687-F846 HydrophobicContact CD1-CD1 4.36Å; L687-F846 HydrophobicContact CD1-CD2 4.05Å; L687-F846 HydrophobicContact CD1-CG 3.9Å; L687-F846 HydrophobicContact CD2-CB 4.2Å; L687-F846 HydrophobicContact CD2-CD2 4.18Å; L687-F846 HydrophobicContact CD2-CG 4.43Å; I842-F846 PolarHBondContact O-N 3.13Å; I843-F846 WeakPolarHBondContact O-CB 3.33Å; I843-F846 PolarHBondContact O-N 3.49Å; Q844-F846 PolarHBondContact O-N 2.94Å; F846-T848 PolarHBondContact O-N 2.72Å; F846-N849 PolarHBondContact O-N 2.73Å; F846-M1001 HydrophobicContact CB-CE 3.51Å; F846-M1001 HydrophobicContact CD2-CE 4.48Å; F846-I1004 HydrophobicContact CD2-CG2 4.05Å; F846-I1004 HydrophobicContact CE2-CG2 3.85Å; F846-I1005 HydrophobicContact CD2-CG1 3.81Å; F846-I1005 HydrophobicContact CE2-CG1 4.21Å; F846-N1008 HydrophobicContact CE2-CB 3.89Å; F846-N1008 HydrophobicContact CZ-CB 3.58Å; F846-L1012 HydrophobicContact CD1-CD2 3.68Å; F846-L1012 HydrophobicContact CE1-CD2 3.35Å; F846-L1012 HydrophobicContact CE1-CG 4.01Å; F846-L1012 HydrophobicContact CE2-CD2 4.45Å; F846-L1012 HydrophobicContact CG-CD2 4.36Å; F846-L1012 HydrophobicContact CZ-CD1 4.34Å; F846-L1012 HydrophobicContact CZ-CD2 3.79Å; F846-L1012 HydrophobicContact CZ-CG 3.96Å; F846-L1012 VanDerWaalsContact O-CD2 3.25Å; F846-L1012 WeakPolarHBondContact O-CD2 3.46Å
847	F	81.3	Confident	77.4	Confident	27 Å²	27	36.8 Å²	36.8	12%	0.118	19%	0.19	C	C	.	.	H	α-helix	trans	-74.9	-19	-176.4	-80	-78.9	0	0	0	115.4	Q672 F675 I676 I843 Q844 N849 L1012 F1015	Q672-F847 HydrophobicContact CB-CD2 3.75Å; Q672-F847 HydrophobicContact CB-CE2 3.52Å; Q672-F847 HydrophobicContact CB-CZ 4.11Å; Q672-F847 HydrophobicContact CG-CD1 4.46Å; Q672-F847 HydrophobicContact CG-CD2 3.84Å; Q672-F847 HydrophobicContact CG-CE2 3.93Å; Q672-F847 HydrophobicContact CG-CG 4.14Å; Q672-F847 HydrophobicContact CG-CZ 4.26Å; F675-F847 HydrophobicContact CD1-CE1 4.5Å; F675-F847 HydrophobicContact CD1-CZ 4.21Å; I676-F847 HydrophobicContact CB-CZ 4.43Å; I843-F847 HydrophobicContact CG2-CD2 3.85Å; I843-F847 HydrophobicContact CG2-CE2 3.89Å; I843-F847 WeakPolarHBondContact O-CD2 3.44Å; I843-F847 PolarHBondContact O-N 3.1Å; I843-F847 VanDerWaalsContact O-N 3.11Å; Q844-F847 PolarHBondContact O-N 3.33Å; F847-N849 PolarHBondContact O-N 3.1Å; F847-L1012 HydrophobicContact CD1-CD2 3.84Å; F847-L1012 HydrophobicContact CE1-CD2 4.26Å; F847-L1012 HydrophobicContact CG-CD2 4.3Å; F847-F1015 HydrophobicContact CD1-CD1 4.45Å; F847-F1015 HydrophobicContact CE1-CB 3.93Å; F847-F1015 HydrophobicContact CE1-CD1 4.17Å; F847-F1015 HydrophobicContact CE1-CG 4.26Å
848	T	74.7	Confident	77.6	Confident	44 Å²	44	40.1 Å²	40.1	27%	0.27	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-20.1	175	54.1	0	0	0	0	113.1	Q844 L845 F846 I850 Y852	Q844-T848 WeakPolarHBondContact O-CG2 3.42Å; Q844-T848 PolarHBondContact O-N 3.42Å; Q844-T848 VanDerWaalsContact O-N 3.13Å; L845-T848 PolarHBondContact O-OG1 3.11Å; F846-T848 PolarHBondContact O-N 2.72Å; T848-I850 WeakPolarHBondContact O-CG1 3.26Å; T848-I850 PolarHBondContact O-N 2.96Å; T848-Y852 PolarHBondContact OG1-OH 3.27Å
849	N	67.3	Low	77.9	Confident	77 Å²	77	40.6 Å²	40.6	41%	0.412	21%	0.211	S	C	.	.			trans	53.7	23.8	177.6	-168.9	27.7	0	0	0	114.3	F846 F847 L1012	F846-N849 PolarHBondContact O-N 2.73Å; F847-N849 PolarHBondContact O-N 3.1Å; N849-L1012 HydrophobicContact CB-CD1 4.11Å
850	I	60.1	Low	77.9	Confident	78 Å²	78	40.1 Å²	40.1	40%	0.4	21%	0.209	S	C	.	.			trans	-83.8	124.8	177.7	-60.7	172.9	0	0	0	107.8	V760 T848 Y852	V760-I850 HydrophobicContact CG2-CD1 3.94Å; T848-I850 WeakPolarHBondContact O-CG1 3.26Å; T848-I850 PolarHBondContact O-N 2.96Å; I850-Y852 WeakPolarHBondContact O-CD2 3.36Å; I850-Y852 VanDerWaalsContact O-CE2 3.26Å; I850-Y852 WeakPolarHBondContact O-CE2 3.29Å; I850-Y852 PolarHBondContact O-N 3Å
851	T	61.1	Low	78.2	Confident	123 Å²	123	45 Å²	45	76%	0.755	23%	0.227	S	C	*	.			trans	-63.1	110.1	167.8	-44.6	0	0	0	0	108.1	N853	T851-N853 PolarHBondContact O-N 2.73Å
852	Y	63.6	Low	78.7	Confident	13 Å²	13	48.7 Å²	48.7	5%	0.051	24%	0.243	C	C	.	.			trans	-75.6	97.3	-170.6	-68.4	-78	0	0	0	111.4	V760 L845 T848 I850 M1001 N1002 I1005	V760-Y852 HydrophobicContact CG1-CD1 4.17Å; V760-Y852 HydrophobicContact CG1-CE1 3.62Å; L845-Y852 VanDerWaalsContact C-OH 3.27Å; L845-Y852 WeakPolarHBondContact CA-OH 3.44Å; L845-Y852 WeakPolarHBondContact CB-OH 3.01Å; L845-Y852 HydrophobicContact CD2-CE1 3.88Å; L845-Y852 VanDerWaalsContact CD2-OH 3.28Å; L845-Y852 WeakPolarHBondContact CD2-OH 3.36Å; L845-Y852 PolarHBondContact O-OH 3.14Å; T848-Y852 PolarHBondContact OG1-OH 3.27Å; I850-Y852 WeakPolarHBondContact O-CD2 3.36Å; I850-Y852 VanDerWaalsContact O-CE2 3.26Å; I850-Y852 WeakPolarHBondContact O-CE2 3.29Å; I850-Y852 PolarHBondContact O-N 3Å; Y852-M1001 HydrophobicContact CD2-CG 4.36Å; Y852-M1001 HydrophobicContact CE2-CG 4.13Å; Y852-N1002 PolarHBondContact N-OD1 2.96Å; Y852-I1005 HydrophobicContact CD2-CD1 4.34Å; Y852-I1005 HydrophobicContact CE2-CD1 3.79Å
853	N	64.1	Low	78.9	Confident	136 Å²	136	48.7 Å²	48.7	73%	0.727	24%	0.242	S	C	*	.			trans	-105.6	87.8	158.4	-147.6	12.4	0	0	0	107.6	T851	T851-N853 PolarHBondContact O-N 2.73Å
854	S	69.3	Low	79.1	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.014	25%	0.254	C	S	.	.			trans	-73.4	129.6	-169.6	176.7	0	0	0	0	112	D761 L856 K857	D761-S854 WeakPolarHBondContact OD1-CA 3.08Å; D761-S854 WeakPolarHBondContact OD1-CB 3.43Å; D761-S854 PolarHBondContact OD1-OG 2.91Å; S854-L856 PolarHBondContact O-N 3.23Å; S854-L856 VanDerWaalsContact OG-CB 3.25Å; S854-L856 WeakPolarHBondContact OG-CB 3.37Å; S854-L856 PolarHBondContact OG-N 2.93Å; S854-L856 VanDerWaalsContact OG-N 3.15Å; S854-K857 VanDerWaalsContact O-CB 3.25Å; S854-K857 WeakPolarHBondContact O-CB 3.39Å; S854-K857 PolarHBondContact O-N 2.91Å; S854-K857 VanDerWaalsContact O-N 3.09Å
855	K	78.5	Confident	79.4	Confident	128 Å²	128	56.1 Å²	56.1	56%	0.557	28%	0.276	S	S	*	.	H	α-helix	trans	-63.4	-25	172.7	-67.5	-177.1	179.5	-178.6	0	111.7	L757 K857 D858 V859	L757-K855 HydrophobicContact CD2-CB 3.76Å; K855-K857 PolarHBondContact O-N 3.16Å; K855-D858 PolarHBondContact O-N 2.89Å; K855-D858 VanDerWaalsContact O-N 3.13Å; K855-V859 WeakPolarHBondContact O-CG2 3.39Å; K855-V859 PolarHBondContact O-N 3.06Å
856	L	82.2	Confident	79.7	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-58.6	-39.4	175.3	176.2	64.8	0	0	0	110.8	L701 L754 L757 Y764 S854 D858 V859 L860 L994	L701-L856 HydrophobicContact CD1-CD2 4.1Å; L701-L856 HydrophobicContact CD2-CD1 4.15Å; L701-L856 HydrophobicContact CD2-CD2 4.22Å; L754-L856 HydrophobicContact CD2-CD1 3.7Å; L757-L856 HydrophobicContact CD1-CB 4.09Å; L757-L856 HydrophobicContact CD1-CD1 3.69Å; L757-L856 HydrophobicContact CD1-CG 4.44Å; L757-L856 HydrophobicContact CD2-CB 4.34Å; Y764-L856 HydrophobicContact CD2-CD2 4.15Å; Y764-L856 HydrophobicContact CG-CD2 4.06Å; S854-L856 PolarHBondContact O-N 3.23Å; S854-L856 VanDerWaalsContact OG-CB 3.25Å; S854-L856 WeakPolarHBondContact OG-CB 3.37Å; S854-L856 PolarHBondContact OG-N 2.93Å; S854-L856 VanDerWaalsContact OG-N 3.15Å; L856-D858 VanDerWaalsContact C-N 3.33Å; L856-D858 PolarHBondContact O-N 2.81Å; L856-V859 PolarHBondContact O-N 2.89Å; L856-L860 HydrophobicContact CD1-CD1 3.96Å; L856-L860 HydrophobicContact CD1-CD2 4.33Å; L856-L860 HydrophobicContact CD1-CG 3.88Å; L856-L860 HydrophobicContact CD2-CD1 4.48Å; L856-L860 HydrophobicContact CG-CD1 3.84Å; L856-L860 HydrophobicContact CG-CG 4.18Å; L856-L860 WeakPolarHBondContact O-CB 3.49Å; L856-L860 WeakPolarHBondContact O-CG 3.45Å; L856-L860 PolarHBondContact O-N 3.29Å; L856-L994 HydrophobicContact CB-CD2 4.39Å; L856-L994 HydrophobicContact CD2-CD1 4.48Å; L856-L994 HydrophobicContact CD2-CD2 4.11Å; L856-L994 HydrophobicContact CG-CD2 4.13Å
857	K	85.5	Confident	79.6	Confident	34 Å²	34	59.4 Å²	59.4	15%	0.148	29%	0.293	C	S	.	.	H	α-helix	trans	-59.4	-43.9	176.4	-176.5	176.5	174.9	162.6	0	111.7	S854 K855 R861 L991 L994 E995	S854-K857 VanDerWaalsContact O-CB 3.25Å; S854-K857 WeakPolarHBondContact O-CB 3.39Å; S854-K857 PolarHBondContact O-N 2.91Å; S854-K857 VanDerWaalsContact O-N 3.09Å; K855-K857 PolarHBondContact O-N 3.16Å; K857-R861 WeakPolarHBondContact O-CB 3.36Å; K857-R861 VanDerWaalsContact O-CG 3.27Å; K857-R861 WeakPolarHBondContact O-CG 3.4Å; K857-R861 PolarHBondContact O-N 2.94Å; K857-L991 HydrophobicContact CG-CD2 4.17Å; K857-L994 HydrophobicContact CB-CD2 3.9Å; K857-E995 HydrophobicContact CD-CG 4.38Å; K857-E995 WeakPolarHBondContact CE-OE1 3.45Å; K857-E995 IonicContact NZ-OE1 3.18Å; K857-E995 PolarHBondContact NZ-OE1 3.01Å
858	D	86.4	Confident	79.5	Confident	90 Å²	90	60.6 Å²	60.6	48%	0.481	31%	0.305	S	S	.	.	H	α-helix	trans	-70	-42.7	-179.9	-65.3	-29.6	0	0	0	111.8	K855 L856 R861 K862	K855-D858 PolarHBondContact O-N 2.89Å; K855-D858 VanDerWaalsContact O-N 3.13Å; L856-D858 VanDerWaalsContact C-N 3.33Å; L856-D858 PolarHBondContact O-N 2.81Å; D858-R861 PolarHBondContact O-N 3.37Å; D858-K862 WeakPolarHBondContact O-CB 3.43Å; D858-K862 PolarHBondContact O-N 2.97Å
859	V	87.7	Confident	79.6	Confident	16 Å²	16	60.7 Å²	60.7	10%	0.097	31%	0.31	C	S	.	.	H	α-helix	trans	-59.9	-51.5	175.5	174.8	0	0	0	0	110.3	F750 E753 L754 L757 K855 L856 R861 K862 Y863	F750-V859 HydrophobicContact CD2-CG1 4.04Å; F750-V859 HydrophobicContact CE2-CG1 3.9Å; E753-V859 HydrophobicContact CB-CG1 4.03Å; E753-V859 HydrophobicContact CB-CG2 4.3Å; L754-V859 HydrophobicContact CD2-CG1 4.06Å; L754-V859 HydrophobicContact CG-CG1 4.35Å; L757-V859 HydrophobicContact CD2-CG2 4.22Å; K855-V859 WeakPolarHBondContact O-CG2 3.39Å; K855-V859 PolarHBondContact O-N 3.06Å; L856-V859 PolarHBondContact O-N 2.89Å; V859-R861 VanDerWaalsContact C-N 3.33Å; V859-R861 PolarHBondContact O-N 3.44Å; V859-K862 WeakPolarHBondContact O-CB 3.47Å; V859-K862 PolarHBondContact O-N 2.93Å; V859-Y863 HydrophobicContact CG1-CD2 3.88Å; V859-Y863 HydrophobicContact CG1-CE2 3.95Å; V859-Y863 VanDerWaalsContact O-CD2 3.27Å; V859-Y863 WeakPolarHBondContact O-CD2 3.46Å; V859-Y863 PolarHBondContact O-N 3.14Å
860	L	89.1	Confident	79.9	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-59.7	-42.2	178.6	-70.4	176.2	0	0	0	111.8	I704 F750 L856 L864 I987 C990 L991 L994	I704-L860 HydrophobicContact CD1-CD2 4.2Å; F750-L860 HydrophobicContact CE2-CD2 4.35Å; F750-L860 HydrophobicContact CZ-CD2 4.04Å; L856-L860 HydrophobicContact CD1-CD1 3.96Å; L856-L860 HydrophobicContact CD1-CD2 4.33Å; L856-L860 HydrophobicContact CD1-CG 3.88Å; L856-L860 HydrophobicContact CD2-CD1 4.48Å; L856-L860 HydrophobicContact CG-CD1 3.84Å; L856-L860 HydrophobicContact CG-CG 4.18Å; L856-L860 WeakPolarHBondContact O-CB 3.49Å; L856-L860 WeakPolarHBondContact O-CG 3.45Å; L856-L860 PolarHBondContact O-N 3.29Å; L860-L864 VanDerWaalsContact O-CB 3.27Å; L860-L864 WeakPolarHBondContact O-CB 3.45Å; L860-L864 PolarHBondContact O-N 3.04Å; L860-I987 HydrophobicContact CB-CG2 4.07Å; L860-I987 HydrophobicContact CD2-CG1 4.5Å; L860-I987 HydrophobicContact CD2-CG2 4.12Å; L860-I987 WeakPolarHBondContact O-CG2 3.46Å; L860-C990 HydrophobicContact CD1-CB 4.36Å; L860-L991 HydrophobicContact CB-CD1 4.13Å; L860-L991 HydrophobicContact CB-CD2 3.55Å; L860-L991 HydrophobicContact CB-CG 3.72Å; L860-L991 HydrophobicContact CD1-CD2 4.09Å; L860-L991 HydrophobicContact CD1-CG 4.2Å; L860-L991 HydrophobicContact CG-CD2 4.49Å; L860-L994 HydrophobicContact CD1-CD2 4.45Å
861	R	90.6	Very high	80.4	Confident	107 Å²	107	59.4 Å²	59.4	40%	0.404	30%	0.296	S	S	.	.	H	α-helix	trans	-63.4	-41.3	175.6	-78.4	172.4	174.9	-165.4	-7	112.5	K857 D858 V859 K865 L991 E995	K857-R861 WeakPolarHBondContact O-CB 3.36Å; K857-R861 VanDerWaalsContact O-CG 3.27Å; K857-R861 WeakPolarHBondContact O-CG 3.4Å; K857-R861 PolarHBondContact O-N 2.94Å; D858-R861 PolarHBondContact O-N 3.37Å; V859-R861 VanDerWaalsContact C-N 3.33Å; V859-R861 PolarHBondContact O-N 3.44Å; R861-K865 WeakPolarHBondContact O-CG 3.4Å; R861-K865 PolarHBondContact O-N 3.26Å; R861-K865 VanDerWaalsContact O-N 3.16Å; R861-L991 HydrophobicContact CG-CD1 3.92Å; R861-L991 HydrophobicContact CG-CD2 3.91Å; R861-E995 IonicContact CZ-OE1 3.52Å; R861-E995 IonicContact NE-OE1 3.45Å; R861-E995 IonicContact NH2-OE1 3.49Å; R861-E995 PolarHBondContact NH2-OE1 2.91Å
862	K	91.8	Very high	80.1	Confident	101 Å²	101	60.8 Å²	60.8	44%	0.439	30%	0.295	S	S	.	.	H	α-helix	trans	-60.1	-51.4	177.8	177.3	-177	173.7	-178.7	0	110.8	E753 D858 V859 K865 L866	E753-K862 IonicContact OE1-NZ 3.34Å; E753-K862 PolarHBondContact OE1-NZ 3.07Å; E753-K862 IonicContact OE2-NZ 2.9Å; D858-K862 WeakPolarHBondContact O-CB 3.43Å; D858-K862 PolarHBondContact O-N 2.97Å; V859-K862 WeakPolarHBondContact O-CB 3.47Å; V859-K862 PolarHBondContact O-N 2.93Å; K862-K865 PolarHBondContact O-N 3.1Å; K862-L866 WeakPolarHBondContact O-CB 3.41Å; K862-L866 PolarHBondContact O-N 3.12Å
863	Y	90.6	Very high	80.3	Confident	1 Å²	1	66.7 Å²	66.7	0%	0.004	32%	0.323	C	S	.	.	H	α-helix	trans	-74.4	-30.3	-177.9	-72.4	-77.9	0	0	0	113.1	I746 S749 F750 E753 V859 K865 L866 L867	I746-Y863 HydrophobicContact CG2-CD1 4.23Å; I746-Y863 HydrophobicContact CG2-CE1 4.39Å; S749-Y863 WeakPolarHBondContact CB-OH 3.33Å; S749-Y863 PolarHBondContact O-OH 2.6Å; S749-Y863 PolarHBondContact OG-OH 2.79Å; F750-Y863 HydrophobicContact CB-CD1 3.58Å; F750-Y863 HydrophobicContact CB-CD2 4.02Å; F750-Y863 HydrophobicContact CB-CE1 3.5Å; F750-Y863 HydrophobicContact CB-CE2 3.95Å; F750-Y863 HydrophobicContact CB-CG 3.85Å; F750-Y863 HydrophobicContact CD1-CD1 4.35Å; F750-Y863 HydrophobicContact CD1-CG 4.09Å; F750-Y863 HydrophobicContact CD2-CD1 4.17Å; F750-Y863 AromaticContact CD2-CD2 3.12Å; F750-Y863 HydrophobicContact CD2-CD2 3.12Å; F750-Y863 AromaticContact CD2-CE2 3.54Å; F750-Y863 HydrophobicContact CD2-CE2 3.54Å; F750-Y863 AromaticContact CD2-CG 3.5Å; F750-Y863 HydrophobicContact CD2-CG 3.5Å; F750-Y863 VanDerWaalsContact CD2-CG 3.5Å; F750-Y863 AromaticContact CE2-CD2 3.68Å; F750-Y863 HydrophobicContact CE2-CD2 3.68Å; F750-Y863 HydrophobicContact CE2-CE2 4.43Å; F750-Y863 HydrophobicContact CE2-CG 4.04Å; F750-Y863 AromaticContact CG-CD1 3.79Å; F750-Y863 HydrophobicContact CG-CD1 3.79Å; F750-Y863 AromaticContact CG-CD2 3.65Å; F750-Y863 HydrophobicContact CG-CD2 3.65Å; F750-Y863 HydrophobicContact CG-CE1 4.16Å; F750-Y863 HydrophobicContact CG-CE2 4.02Å; F750-Y863 AromaticContact CG-CG 3.54Å; F750-Y863 HydrophobicContact CG-CG 3.54Å; F750-Y863 PolarHBondContact N-OH 3.02Å; E753-Y863 HydrophobicContact CB-CE2 4.24Å; E753-Y863 HydrophobicContact CG-CE2 4.49Å; E753-Y863 VanDerWaalsContact OE2-CE2 3.26Å; E753-Y863 WeakPolarHBondContact OE2-CE2 3.25Å; V859-Y863 HydrophobicContact CG1-CD2 3.88Å; V859-Y863 HydrophobicContact CG1-CE2 3.95Å; V859-Y863 VanDerWaalsContact O-CD2 3.27Å; V859-Y863 WeakPolarHBondContact O-CD2 3.46Å; V859-Y863 PolarHBondContact O-N 3.14Å; Y863-K865 VanDerWaalsContact C-N 3.32Å; Y863-K865 PolarHBondContact O-N 3.37Å; Y863-L866 HydrophobicContact CD1-CD2 4.06Å; Y863-L866 HydrophobicContact CE1-CD2 4.08Å; Y863-L866 PolarHBondContact O-N 3.27Å; Y863-L867 VanDerWaalsContact O-CB 3.28Å; Y863-L867 WeakPolarHBondContact O-CB 3.26Å; Y863-L867 WeakPolarHBondContact O-CD1 3.38Å; Y863-L867 WeakPolarHBondContact O-CG 3.27Å; Y863-L867 PolarHBondContact O-N 2.99Å
864	L	90.3	Very high	79.9	Confident	47 Å²	47	60.5 Å²	60.5	25%	0.246	29%	0.29	C	S	.	.	H	α-helix	trans	-58.8	-45	170.4	-175.3	59.9	0	0	0	111.7	L860 S868 G984 I987 A988 L991	L860-L864 VanDerWaalsContact O-CB 3.27Å; L860-L864 WeakPolarHBondContact O-CB 3.45Å; L860-L864 PolarHBondContact O-N 3.04Å; L864-S868 VanDerWaalsContact O-CB 3.26Å; L864-S868 WeakPolarHBondContact O-CB 3.39Å; L864-S868 PolarHBondContact O-N 3.42Å; L864-S868 PolarHBondContact O-OG 3.16Å; L864-G984 VanDerWaalsContact CD1-O 3.26Å; L864-G984 WeakPolarHBondContact CD1-O 3.47Å; L864-I987 HydrophobicContact CB-CG2 3.81Å; L864-I987 HydrophobicContact CD1-CB 4.33Å; L864-I987 HydrophobicContact CD1-CG2 4.23Å; L864-I987 HydrophobicContact CG-CG2 4.42Å; L864-A988 HydrophobicContact CD1-CB 4.47Å; L864-A988 HydrophobicContact CD2-CB 4.2Å; L864-L991 HydrophobicContact CD2-CD1 3.84Å
865	K	89	Confident	79.1	Confident	154 Å²	154	62.9 Å²	62.9	67%	0.67	31%	0.31	S	S	*	.	H	α-helix	trans	-65.5	-41.8	176	-72.2	177.4	-179.5	-177.2	0	112.2	R861 K862 Y863 S868 A869	R861-K865 WeakPolarHBondContact O-CG 3.4Å; R861-K865 PolarHBondContact O-N 3.26Å; R861-K865 VanDerWaalsContact O-N 3.16Å; K862-K865 PolarHBondContact O-N 3.1Å; Y863-K865 VanDerWaalsContact C-N 3.32Å; Y863-K865 PolarHBondContact O-N 3.37Å; K865-S868 WeakPolarHBondContact CA-OG 3.4Å; K865-S868 PolarHBondContact O-OG 3.41Å; K865-A869 WeakPolarHBondContact O-CB 3.42Å; K865-A869 PolarHBondContact O-N 3.4Å
866	L	85.3	Confident	77.6	Confident	63 Å²	63	60.1 Å²	60.1	33%	0.33	30%	0.304	S	S	.	.	H	α-helix	trans	-67.4	-45.6	-178.9	-173.3	59.4	0	0	0	111.7	I746 K862 Y863 A869 K870	I746-L866 HydrophobicContact CB-CD2 4.46Å; I746-L866 HydrophobicContact CD1-CD2 4.31Å; I746-L866 HydrophobicContact CD1-CG 4.21Å; I746-L866 HydrophobicContact CG1-CD2 3.99Å; I746-L866 HydrophobicContact CG1-CG 4.43Å; I746-L866 HydrophobicContact CG2-CD2 3.79Å; I746-L866 HydrophobicContact CG2-CG 4.29Å; K862-L866 WeakPolarHBondContact O-CB 3.41Å; K862-L866 PolarHBondContact O-N 3.12Å; Y863-L866 HydrophobicContact CD1-CD2 4.06Å; Y863-L866 HydrophobicContact CE1-CD2 4.08Å; Y863-L866 PolarHBondContact O-N 3.27Å; L866-A869 PolarHBondContact O-N 2.93Å; L866-K870 VanDerWaalsContact O-CB 3.23Å; L866-K870 WeakPolarHBondContact O-CB 3.16Å; L866-K870 PolarHBondContact O-N 3.48Å
867	L	82.4	Confident	75.6	Confident	6 Å²	6	71.3 Å²	71.3	3%	0.031	35%	0.346	C	S	.	.	H	α-helix	trans	-68.3	-38.1	178.9	-64.7	167	0	0	0	111.4	I746 Y863 K870 R871 L980 L983 I987	I746-L867 HydrophobicContact CG2-CD2 4.07Å; Y863-L867 VanDerWaalsContact O-CB 3.28Å; Y863-L867 WeakPolarHBondContact O-CB 3.26Å; Y863-L867 WeakPolarHBondContact O-CD1 3.38Å; Y863-L867 WeakPolarHBondContact O-CG 3.27Å; Y863-L867 PolarHBondContact O-N 2.99Å; L867-K870 PolarHBondContact O-N 3.31Å; L867-R871 WeakPolarHBondContact O-CB 3.32Å; L867-R871 PolarHBondContact O-N 3.14Å; L867-L980 HydrophobicContact CD2-CD2 3.74Å; L867-L983 HydrophobicContact CD1-CD2 3.6Å; L867-L983 HydrophobicContact CD1-CG 3.96Å; L867-L983 HydrophobicContact CD2-CD2 4.32Å; L867-I987 HydrophobicContact CD1-CD1 3.61Å
868	S	80.2	Confident	73.1	Confident	53 Å²	53	75.5 Å²	75.5	37%	0.371	37%	0.374	S	S	.	.	H	α-helix	trans	-66.8	-42.9	175.8	66.8	0	0	0	0	112.4	L864 K865 K870 R871 M872	L864-S868 VanDerWaalsContact O-CB 3.26Å; L864-S868 WeakPolarHBondContact O-CB 3.39Å; L864-S868 PolarHBondContact O-N 3.42Å; L864-S868 PolarHBondContact O-OG 3.16Å; K865-S868 WeakPolarHBondContact CA-OG 3.4Å; K865-S868 PolarHBondContact O-OG 3.41Å; S868-K870 VanDerWaalsContact C-N 3.28Å; S868-K870 PolarHBondContact O-N 3.45Å; S868-R871 WeakPolarHBondContact O-CB 3.27Å; S868-R871 PolarHBondContact O-N 3.02Å; S868-M872 WeakPolarHBondContact O-CG 3.26Å; S868-M872 PolarHBondContact O-N 3.39Å
869	A	75.8	Confident	70.6	Confident	45 Å²	45	74.8 Å²	74.8	37%	0.372	38%	0.376	S	S	.	.	H	α-helix	trans	-60.5	-40.4	173.6	0	0	0	0	0	111.7	K865 L866 M872 Q873	K865-A869 WeakPolarHBondContact O-CB 3.42Å; K865-A869 PolarHBondContact O-N 3.4Å; L866-A869 PolarHBondContact O-N 2.93Å; A869-M872 PolarHBondContact O-N 2.99Å; A869-Q873 PolarHBondContact O-N 2.93Å
870	K	74.6	Confident	67.9	Low	41 Å²	41	81.4 Å²	81.4	18%	0.178	41%	0.411	C	S	.	.	H	α-helix	trans	-72.4	-33.6	-179.6	-159.5	50.4	74	178	0	111.6	I746 L866 L867 S868 Q873 M874	I746-K870 HydrophobicContact CD1-CG 4.14Å; L866-K870 VanDerWaalsContact O-CB 3.23Å; L866-K870 WeakPolarHBondContact O-CB 3.16Å; L866-K870 PolarHBondContact O-N 3.48Å; L867-K870 PolarHBondContact O-N 3.31Å; S868-K870 VanDerWaalsContact C-N 3.28Å; S868-K870 PolarHBondContact O-N 3.45Å; K870-Q873 WeakPolarHBondContact O-CB 3.38Å; K870-Q873 PolarHBondContact O-N 3.42Å; K870-M874 HydrophobicContact CG-CE 3.94Å; K870-M874 WeakPolarHBondContact O-CG 3.26Å; K870-M874 PolarHBondContact O-N 2.84Å
871	R	71.4	Confident	65	Low	88 Å²	88	87.1 Å²	87.1	33%	0.332	45%	0.446	S	S	.	.	H	α-helix	trans	-61.4	-43.8	167.4	178.1	-172.1	174.1	-177.8	4.1	112.3	L867 S868 Q873 M874 A875 E981	L867-R871 WeakPolarHBondContact O-CB 3.32Å; L867-R871 PolarHBondContact O-N 3.14Å; S868-R871 WeakPolarHBondContact O-CB 3.27Å; S868-R871 PolarHBondContact O-N 3.02Å; R871-Q873 PolarHBondContact O-N 3.41Å; R871-M874 PolarHBondContact O-N 2.94Å; R871-A875 PolarHBondContact O-N 3.19Å; R871-E981 IonicContact CZ-OE1 3.66Å; R871-E981 VanDerWaalsContact CZ-OE1 3.23Å; R871-E981 IonicContact CZ-OE2 3.98Å; R871-E981 IonicContact NH1-OE1 3.31Å; R871-E981 PolarHBondContact NH1-OE1 3.17Å; R871-E981 VanDerWaalsContact NH1-OE1 3.09Å; R871-E981 IonicContact NH1-OE2 2.62Å; R871-E981 IonicContact NH2-OE1 2.7Å; R871-E981 PolarHBondContact NH2-OE1 3.18Å; R871-E981 IonicContact NH2-OE2 3.92Å; R871-E981 PolarHBondContact NH2-OE2 2.85Å
872	M	53.7	Low	62	Low	151 Å²	151	91.5 Å²	91.5	74%	0.744	46%	0.463	S	S	*	.	H	α-helix	trans	-61.4	-30.4	177.6	-71.7	-179.9	179.1	0	0	112.1	S868 A869	S868-M872 WeakPolarHBondContact O-CG 3.26Å; S868-M872 PolarHBondContact O-N 3.39Å; A869-M872 PolarHBondContact O-N 2.99Å
873	Q	67.5	Low	59	Low	137 Å²	137	95.4 Å²	95.4	64%	0.64	48%	0.476	S	S	*	.	H	α-helix	trans	-72.8	-27.1	173.9	-67.1	174.8	-1.5	0	0	113.2	A869 K870 R871	A869-Q873 PolarHBondContact O-N 2.93Å; K870-Q873 WeakPolarHBondContact O-CB 3.38Å; K870-Q873 PolarHBondContact O-N 3.42Å; R871-Q873 PolarHBondContact O-N 3.41Å
874	M	57	Low	55.8	Low	7 Å²	7	99 Å²	99	3%	0.034	51%	0.513	C	S	.	.	H	α-helix	trans	-85.5	-14.3	178.6	-63.7	170.6	-156	0	0	113.8	Y739 K870 R871 T876 L980	Y739-M874 HydrophobicContact CE2-CE 3.54Å; Y739-M874 HydrophobicContact CE2-CG 3.87Å; Y739-M874 HydrophobicContact CE2-SD 4.14Å; Y739-M874 WeakPolarHBondContact OH-CE 3.43Å; Y739-M874 PolarHBondContact OH-SD 3.38Å; K870-M874 HydrophobicContact CG-CE 3.94Å; K870-M874 WeakPolarHBondContact O-CG 3.26Å; K870-M874 PolarHBondContact O-N 2.84Å; R871-M874 PolarHBondContact O-N 2.94Å; M874-T876 PolarHBondContact O-N 2.92Å; M874-L980 HydrophobicContact CE-CD1 3.23Å; M874-L980 HydrophobicContact SD-CD1 3.65Å
875	A	50.8	Low	52.9	Low	52 Å²	52	103.7 Å²	103.7	43%	0.43	54%	0.538	S	S	.	.	S	Bend	trans	-64.3	96.6	168.7	0	0	0	0	0	106.7	R871 R877	R871-A875 PolarHBondContact O-N 3.19Å; A875-R877 PolarHBondContact O-N 3.43Å
876	T	48.5	Very low	49.9	Very low	69 Å²	69	100.8 Å²	100.8	42%	0.423	54%	0.537	S	S	.	.			trans	-35.8	132.2	-179.1	43.3	0	0	0	0	110.3	M874 T878	M874-T876 PolarHBondContact O-N 2.92Å; T876-T878 PolarHBondContact O-N 2.95Å; T876-T878 PolarHBondContact O-OG1 3.43Å; T876-T878 VanDerWaalsContact O-OG1 3.12Å; T876-T878 WeakPolarHBondContact OG1-CG2 3.43Å; T876-T878 PolarHBondContact OG1-OG1 2.98Å
877	R	39.4	Very low	47.2	Very low	236 Å²	236	106.2 Å²	106.2	89%	0.891	57%	0.565	S	S	*	*			trans	-62.3	58.8	160.1	-73.7	176.6	160.9	175.7	-6	109.4	A875 S879	A875-R877 PolarHBondContact O-N 3.43Å; R877-S879 PolarHBondContact O-N 3.25Å
878	T	33.2	Very low	44.4	Very low	121 Å²	121	111.7 Å²	111.7	74%	0.742	60%	0.599	S	S	*	*			trans	-77	68.7	166.2	37.9	0	0	0	0	106.9	T876	T876-T878 PolarHBondContact O-N 2.95Å; T876-T878 PolarHBondContact O-OG1 3.43Å; T876-T878 VanDerWaalsContact O-OG1 3.12Å; T876-T878 WeakPolarHBondContact OG1-CG2 3.43Å; T876-T878 PolarHBondContact OG1-OG1 2.98Å
879	S	33.8	Very low	41.8	Very low	75 Å²	75	114.2 Å²	114.2	52%	0.524	62%	0.617	S	S	.	*			trans	-125	83.4	160.9	60.5	0	0	0	0	107.1	R877 T881	R877-S879 PolarHBondContact O-N 3.25Å; S879-T881 PolarHBondContact O-N 2.7Å
880	N	30.4	Very low	39.4	Very low	155 Å²	155	121.6 Å²	121.6	83%	0.829	64%	0.644	S	S	*	*			trans	-60.8	53.5	142.8	-92.4	-22.3	0	0	0	109.7	R882	N880-R882 PolarHBondContact O-N 3.3Å
881	T	29.7	Very low	37.2	Very low	120 Å²	120	125 Å²	125	74%	0.736	67%	0.672	S	S	*	*			trans	-79.4	70.2	157.8	43.6	0	0	0	0	106.4	S879 Y883	S879-T881 PolarHBondContact O-N 2.7Å; T881-Y883 PolarHBondContact O-N 2.86Å
882	R	26.9	Very low	35	Very low	199 Å²	199	125.3 Å²	125.3	75%	0.751	69%	0.688	S	S	*	*			trans	-57.9	124.3	160.9	-92.3	-174.4	-169.5	164.5	3.9	107.4	N880 G884	N880-R882 PolarHBondContact O-N 3.3Å; R882-G884 PolarHBondContact O-N 3.39Å
883	Y	29.2	Very low	33.6	Very low	183 Å²	183	126.9 Å²	126.9	72%	0.718	69%	0.693	S	S	*	*			trans	44.3	63.2	145.1	-60.3	-84.9	0	0	0	115.8	T881	T881-Y883 PolarHBondContact O-N 2.86Å
884	G	23.5	Very low	31.7	Very low	76 Å²	76	125.4 Å²	125.4	78%	0.784	70%	0.699	S	S	*	*			trans	-93.7	37.4	152.2	0	0	0	0	0	111	R882 S886	R882-G884 PolarHBondContact O-N 3.39Å; G884-S886 PolarHBondContact O-N 2.82Å
885	L	28.9	Very low	30.1	Very low	146 Å²	146	130.9 Å²	130.9	76%	0.764	74%	0.737	S	S	*	*			trans	-78.3	87.7	167.5	-85.3	161.4	0	0	0	106.4	L887	L885-L887 PolarHBondContact O-N 3.13Å
886	S	26.9	Very low	29.1	Very low	93 Å²	93	134 Å²	134	65%	0.65	76%	0.756	S	S	*	*			trans	-45.4	110.3	158.9	50.8	0	0	0	0	108	G884 T888	G884-S886 PolarHBondContact O-N 2.82Å; S886-T888 PolarHBondContact O-N 3.49Å
887	L	26.6	Very low	28	Very low	177 Å²	177	135.6 Å²	135.6	93%	0.927	77%	0.77	S	S	*	*			trans	-61.7	84.7	164.5	-82.7	124.4	0	0	0	107.7	L885 S889	L885-L887 PolarHBondContact O-N 3.13Å; L887-S889 PolarHBondContact O-N 3.49Å
888	T	23.8	Very low	27.3	Very low	121 Å²	121	130.7 Å²	130.7	74%	0.742	77%	0.767	S	S	*	*			trans	-73.4	102.6	157.1	26.5	0	0	0	0	106.6	S886 H890	S886-T888 PolarHBondContact O-N 3.49Å; T888-H890 PolarHBondContact O-N 3.43Å
889	S	27.3	Very low	27	Very low	107 Å²	107	130.5 Å²	130.5	75%	0.748	77%	0.77	S	S	*	*			trans	-49.8	123.6	166.8	49.9	0	0	0	0	109.6	L887 S891	L887-S889 PolarHBondContact O-N 3.49Å; S889-S891 PolarHBondContact O-N 2.95Å
890	H	24.6	Very low	26.6	Very low	200 Å²	200	132.3 Å²	132.3	93%	0.926	78%	0.783	S	S	*	*			trans	-47.8	106.8	168.8	-75	-79.2	0	0	0	111	T888	T888-H890 PolarHBondContact O-N 3.43Å
891	S	27.4	Very low	26.5	Very low	111 Å²	111	131.4 Å²	131.4	78%	0.776	78%	0.783	S	S	*	*			trans	-111.1	107.7	152.6	66.3	0	0	0	0	107.8	S889	S889-S891 PolarHBondContact O-N 2.95Å
892	S	25.3	Very low	26.3	Very low	96 Å²	96	133.2 Å²	133.2	67%	0.671	79%	0.788	S	S	*	*			trans	-58.7	150.2	171.3	43.8	0	0	0	0	113.2
893	Q	25.2	Very low	26.5	Very low	183 Å²	183	129 Å²	129	86%	0.855	79%	0.789	S	S	*	*			trans	75	131.9	165.3	-58.3	163	-9.1	0	0	113.1
894	S	26.9	Very low	26.3	Very low	107 Å²	107	128 Å²	128	75%	0.748	80%	0.796	S	S	*	*			cis	-159.8	143.2	34.5	43.7	0	0	0	0	110.6
895	S	24.3	Very low	26.6	Very low	121 Å²	121	131 Å²	131	85%	0.846	80%	0.799	S	S	*	*			trans	-47.5	125.5	164	45.6	0	0	0	0	113.7
896	S	29	Very low	26.3	Very low	117 Å²	117	128.7 Å²	128.7	82%	0.818	80%	0.795	S	S	*	*			trans	-145.4	125.9	148	54.4	0	0	0	0	111.1
897	S	26.1	Very low	26.4	Very low	104 Å²	104	131.6 Å²	131.6	73%	0.727	80%	0.801	S	S	*	*			trans	-58.2	135.7	-178.1	42.9	0	0	0	0	115.6
898	T	24.1	Very low	27.2	Very low	133 Å²	133	128 Å²	128	82%	0.816	79%	0.789	S	S	*	*			trans	26.6	119.2	134.9	52.7	0	0	0	0	119
899	S	27.8	Very low	27.3	Very low	117 Å²	117	127.3 Å²	127.3	82%	0.818	79%	0.789	S	S	*	*			trans	-157.8	115.4	131.5	36.5	0	0	0	0	110.6
900	S	24.9	Very low	27.3	Very low	113 Å²	113	127.1 Å²	127.1	79%	0.79	79%	0.787	S	S	*	*			trans	-67.3	136.7	163.3	46.8	0	0	0	0	111
901	T	28.3	Very low	27.7	Very low	136 Å²	136	123.3 Å²	123.3	83%	0.834	78%	0.784	S	S	*	*			trans	-157.2	113.6	145	14.7	0	0	0	0	110.5
902	N	25.8	Very low	27.7	Very low	157 Å²	157	125.1 Å²	125.1	84%	0.84	78%	0.783	S	S	*	*			trans	-60.9	137.5	162.3	-71.5	-35.3	0	0	0	110.3
903	S	30.2	Very low	28	Very low	111 Å²	111	127.1 Å²	127.1	78%	0.776	79%	0.791	S	S	*	*			trans	-148.3	99.2	147.9	46.9	0	0	0	0	109.3
904	L	24.9	Very low	27.9	Very low	163 Å²	163	126.2 Å²	126.2	85%	0.853	79%	0.791	S	S	*	*			trans	-67.5	125.6	158.3	-78.5	99.3	0	0	0	108.5
905	T	29.8	Very low	28	Very low	138 Å²	138	126.8 Å²	126.8	85%	0.847	80%	0.795	S	S	*	*			trans	-129.5	106.2	157.7	39.7	0	0	0	0	109.1
906	S	24.2	Very low	27.9	Very low	97 Å²	97	126.4 Å²	126.4	68%	0.678	79%	0.792	S	S	*	*			trans	-81.3	171.2	167.3	48.2	0	0	0	0	111.7
907	I	28.4	Very low	27.9	Very low	154 Å²	154	126.2 Å²	126.2	79%	0.79	79%	0.791	S	S	*	*			trans	109.9	139.5	160.1	-53.4	153.7	0	0	0	112.7
908	P	43.5	Very low	28.3	Very low	103 Å²	103	127 Å²	127	67%	0.669	79%	0.794	S	S	*	*			cis	-138.9	172.5	-47.4	39.7	-19.5	0	0	0	113.9
909	S	25.5	Very low	28.3	Very low	106 Å²	106	126.9 Å²	126.9	74%	0.741	79%	0.793	S	S	*	*			trans	-4.6	151.3	140.8	-3.1	0	0	0	0	118.1
910	S	27.4	Very low	28.2	Very low	102 Å²	102	126.2 Å²	126.2	71%	0.713	79%	0.788	S	S	*	*			cis	176.6	138.6	21.5	38.7	0	0	0	0	108.2
911	S	32.4	Very low	28.2	Very low	121 Å²	121	127.7 Å²	127.7	85%	0.846	79%	0.793	S	S	*	*			trans	-142.1	99	156.5	41	0	0	0	0	108.7
912	I	28.2	Very low	28	Very low	148 Å²	148	126.3 Å²	126.3	76%	0.759	79%	0.788	S	S	*	*			trans	-87.7	119.2	176	-66.8	169.2	0	0	0	107.3	L914	I912-L914 HydrophobicContact CG2-CG 4.46Å
913	V	30.2	Very low	27.9	Very low	138 Å²	138	124.2 Å²	124.2	84%	0.836	79%	0.786	S	S	*	*			trans	-123.5	115.3	159.7	177.6	0	0	0	0	107.4
914	L	25.1	Very low	27.7	Very low	164 Å²	164	123.7 Å²	123.7	86%	0.859	78%	0.783	S	S	*	*			trans	-65.4	125.7	179.3	-72.6	129.5	0	0	0	110.8	I912	I912-L914 HydrophobicContact CG2-CG 4.46Å
915	S	27.3	Very low	27.8	Very low	119 Å²	119	121.5 Å²	121.5	83%	0.832	78%	0.778	S	S	*	*			trans	-142.6	129	150.2	54.8	0	0	0	0	109.5
916	S	23.6	Very low	27.6	Very low	113 Å²	113	122.2 Å²	122.2	79%	0.79	78%	0.776	S	S	*	*			trans	-70.7	131.2	-174.5	45	0	0	0	0	112.8
917	S	28.3	Very low	27.6	Very low	113 Å²	113	124 Å²	124	79%	0.79	78%	0.783	S	S	*	*			trans	-173.7	149.6	135.2	-81.3	0	0	0	0	110.8
918	P	34.6	Very low	27.4	Very low	122 Å²	122	123 Å²	123	79%	0.792	78%	0.778	S	S	*	*			trans	-96.7	122.3	-155.6	34.6	-27.2	0	0	0	111.7
919	T	24.6	Very low	26.5	Very low	129 Å²	129	126.2 Å²	126.2	79%	0.791	79%	0.789	S	S	*	*			trans	-141.9	120.9	166.9	40.8	0	0	0	0	110.4
920	S	24.7	Very low	26.5	Very low	103 Å²	103	126 Å²	126	72%	0.72	79%	0.788	S	S	*	*			trans	50.1	92	149.4	57.6	0	0	0	0	116	S922	S920-S922 VanDerWaalsContact C-N 3.26Å; S920-S922 PolarHBondContact O-N 2.87Å
921	T	25.4	Very low	26.4	Very low	145 Å²	145	127.2 Å²	127.2	89%	0.89	80%	0.796	S	S	*	*			trans	-60.1	86	162.2	42.4	0	0	0	0	110.3	S923	T921-S923 VanDerWaalsContact C-N 3.33Å; T921-S923 PolarHBondContact O-N 3.31Å; T921-S923 VanDerWaalsContact O-N 3.14Å
922	S	23.6	Very low	26.1	Very low	106 Å²	106	126.5 Å²	126.5	74%	0.741	79%	0.791	S	S	*	*			trans	-72.4	91.8	159.3	57.2	0	0	0	0	107.5	S920 S924	S920-S922 VanDerWaalsContact C-N 3.26Å; S920-S922 PolarHBondContact O-N 2.87Å; S922-S924 PolarHBondContact O-N 3.29Å
923	S	24.6	Very low	26	Very low	113 Å²	113	125.1 Å²	125.1	79%	0.79	80%	0.795	S	S	*	*			trans	-66	100.1	172.1	51.5	0	0	0	0	109.1	T921	T921-S923 VanDerWaalsContact C-N 3.33Å; T921-S923 PolarHBondContact O-N 3.31Å; T921-S923 VanDerWaalsContact O-N 3.14Å
924	S	24.7	Very low	25.6	Very low	101 Å²	101	122.2 Å²	122.2	71%	0.706	79%	0.792	S	S	*	*			trans	-63.1	139.6	169	25.9	0	0	0	0	110.1	S922 L926	S922-S924 PolarHBondContact O-N 3.29Å; S924-L926 PolarHBondContact O-N 3.04Å
925	P	28.5	Very low	25.6	Very low	117 Å²	117	119.1 Å²	119.1	76%	0.76	78%	0.784	S	S	*	*			trans	-77.3	115.4	-167.4	29.9	-30.7	0	0	0	110.1	T927	P925-T927 PolarHBondContact O-N 3.22Å
926	L	24.9	Very low	25.4	Very low	153 Å²	153	120.5 Å²	120.5	80%	0.801	79%	0.788	S	S	*	*			trans	-60.2	103.3	167.5	-89.6	138.7	0	0	0	109.6	S924 L928	S924-L926 PolarHBondContact O-N 3.04Å; L926-L928 HydrophobicContact CB-CD1 4.31Å; L926-L928 HydrophobicContact CD2-CD1 3.89Å; L926-L928 PolarHBondContact O-N 3.37Å
927	T	24.2	Very low	25.3	Very low	133 Å²	133	121.9 Å²	121.9	82%	0.816	79%	0.785	S	S	*	*			trans	-66.2	80.2	162.8	27.1	0	0	0	0	109.4	P925	P925-T927 PolarHBondContact O-N 3.22Å
928	L	24.9	Very low	25.1	Very low	133 Å²	133	121.7 Å²	121.7	70%	0.696	78%	0.779	S	S	*	*			trans	-91.1	102.6	164.1	-105.5	101.4	0	0	0	109.6	L926 S930	L926-L928 HydrophobicContact CB-CD1 4.31Å; L926-L928 HydrophobicContact CD2-CD1 3.89Å; L926-L928 PolarHBondContact O-N 3.37Å; L928-S930 PolarHBondContact O-N 3.17Å; L928-S930 PolarHBondContact O-OG 2.85Å
929	L	23.3	Very low	24.6	Very low	171 Å²	171	121 Å²	121	90%	0.895	78%	0.777	S	S	*	*			trans	-53.2	103.4	161.3	-74.2	106.8	0	0	0	108.7
930	S	26.6	Very low	24.5	Very low	102 Å²	102	122.8 Å²	122.8	71%	0.713	78%	0.776	S	S	*	*			trans	-114.4	94.8	167.5	26.7	0	0	0	0	107.1	L928 S932	L928-S930 PolarHBondContact O-N 3.17Å; L928-S930 PolarHBondContact O-OG 2.85Å; S930-S932 PolarHBondContact O-N 3.39Å
931	S	24	Very low	24.5	Very low	127 Å²	127	122 Å²	122	89%	0.888	77%	0.771	S	S	*	*			trans	-64.9	91.5	165.9	53.1	0	0	0	0	109
932	S	27	Very low	24.4	Very low	106 Å²	106	122.9 Å²	122.9	74%	0.741	77%	0.769	S	S	*	*			trans	-101.5	114.3	164.6	62.7	0	0	0	0	109	S930	S930-S932 PolarHBondContact O-N 3.39Å
933	S	25.1	Very low	24.3	Very low	120 Å²	120	124.4 Å²	124.4	84%	0.839	77%	0.765	S	S	*	*			trans	-39.7	131.5	173.9	26.1	0	0	0	0	113.2	S935	S933-S935 PolarHBondContact O-N 3.48Å
934	G	23.8	Very low	24.4	Very low	76 Å²	76	124 Å²	124	78%	0.784	76%	0.759	S	S	*	*			trans	-67.2	117.9	-172.5	0	0	0	0	0	112.9
935	S	23.8	Very low	24.4	Very low	99 Å²	99	125 Å²	125	69%	0.692	76%	0.763	S	S	*	*			trans	-80.9	107	145.9	58.2	0	0	0	0	107.2	S933 I937	S933-S935 PolarHBondContact O-N 3.48Å; S935-I937 PolarHBondContact O-N 3.47Å
936	T	22.8	Very low	24.3	Very low	148 Å²	148	125.6 Å²	125.6	91%	0.908	76%	0.76	S	S	*	*			trans	-61.5	79.3	168.7	15.7	0	0	0	0	109.6
937	I	23.1	Very low	24.3	Very low	143 Å²	143	128.3 Å²	128.3	73%	0.733	76%	0.76	S	S	*	*			trans	-102.8	108.2	155.5	-60.1	179.1	0	0	0	103.9	S935 S939	S935-I937 PolarHBondContact O-N 3.47Å; I937-S939 PolarHBondContact O-N 2.87Å
938	T	23.5	Very low	24.4	Very low	108 Å²	108	128.4 Å²	128.4	66%	0.663	76%	0.761	S	S	*	*			trans	-27.8	106.8	172.7	36.6	0	0	0	0	110.5	H940	T938-H940 VanDerWaalsContact C-N 3.28Å; T938-H940 PolarHBondContact O-N 2.97Å
939	S	23.8	Very low	24.5	Very low	108 Å²	108	128.5 Å²	128.5	76%	0.755	76%	0.76	S	S	*	*			trans	-52.6	102.2	159.7	39.1	0	0	0	0	106.2	I937 S941	I937-S939 PolarHBondContact O-N 2.87Å; S939-S941 PolarHBondContact O-N 3.33Å
940	H	23.3	Very low	24.7	Very low	167 Å²	167	127.5 Å²	127.5	77%	0.773	76%	0.756	S	S	*	*			trans	-64.5	77.5	155.5	-72.9	-71.1	0	0	0	105.8	T938 L942	T938-H940 VanDerWaalsContact C-N 3.28Å; T938-H940 PolarHBondContact O-N 2.97Å; H940-L942 PolarHBondContact O-N 3.42Å
941	S	23	Very low	24.8	Very low	86 Å²	86	131.2 Å²	131.2	60%	0.601	76%	0.762	S	S	*	*			trans	-51.7	111.6	160.1	-175.8	0	0	0	0	104.9	S939 Q943	S939-S941 PolarHBondContact O-N 3.33Å; S941-Q943 PolarHBondContact O-N 3.34Å
942	L	24.7	Very low	25	Very low	164 Å²	164	132.9 Å²	132.9	86%	0.859	76%	0.761	S	S	*	*			trans	-67.2	68.3	174	-73.3	152.4	0	0	0	108.2	H940	H940-L942 PolarHBondContact O-N 3.42Å
943	Q	21.9	Very low	25.1	Very low	137 Å²	137	132.8 Å²	132.8	64%	0.64	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-83.8	120.2	160.4	-94	174.3	-57.9	0	0	106.9	S941	S941-Q943 PolarHBondContact O-N 3.34Å
944	P	26.2	Very low	25.2	Very low	105 Å²	105	134.9 Å²	134.9	68%	0.682	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-55.4	147.7	167.7	-11.9	25.4	0	0	0	108.2	D946	P944-D946 PolarHBondContact O-N 3.09Å; P944-D946 VanDerWaalsContact O-N 3.08Å
945	P	25.4	Very low	25.6	Very low	122 Å²	122	138.7 Å²	138.7	79%	0.792	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-55.1	122.1	-172	23.5	-32.2	0	0	0	109.5	R947	P945-R947 PolarHBondContact O-N 3.43Å
946	D	24.6	Very low	25.9	Very low	130 Å²	130	141.9 Å²	141.9	70%	0.695	77%	0.773	S	S	*	*			trans	-48.7	99.3	178	-80.1	-43.3	0	0	0	109.4	P944 T948	P944-D946 PolarHBondContact O-N 3.09Å; P944-D946 VanDerWaalsContact O-N 3.08Å; D946-T948 PolarHBondContact O-N 3.4Å
947	R	26.6	Very low	26.2	Very low	210 Å²	210	139 Å²	139	79%	0.792	76%	0.764	S	S	*	*			trans	-73	91.9	160.7	-84.2	-176	171.9	178.5	-2	105.8	P945 I949	P945-R947 PolarHBondContact O-N 3.43Å; R947-I949 HydrophobicContact CB-CD1 4.43Å; R947-I949 HydrophobicContact CB-CG1 4.07Å; R947-I949 PolarHBondContact O-N 3.15Å
948	T	24.6	Very low	26.7	Very low	135 Å²	135	140.1 Å²	140.1	83%	0.828	77%	0.766	S	S	*	*			trans	-61.8	84.4	159.7	37.6	0	0	0	0	108.3	D946 N950	D946-T948 PolarHBondContact O-N 3.4Å; T948-N950 PolarHBondContact O-N 2.87Å
949	I	27.5	Very low	27.3	Very low	134 Å²	134	141.2 Å²	141.2	69%	0.687	77%	0.773	S	S	*	*			trans	-78	106.8	172.5	-63.6	172.6	0	0	0	106.4	R947 Q951	R947-I949 HydrophobicContact CB-CD1 4.43Å; R947-I949 HydrophobicContact CB-CG1 4.07Å; R947-I949 PolarHBondContact O-N 3.15Å; I949-Q951 PolarHBondContact O-N 2.6Å
950	N	26.9	Very low	27.8	Very low	150 Å²	150	142.6 Å²	142.6	80%	0.802	77%	0.772	S	S	*	*			trans	-50	121.6	169.7	-100	-18.8	0	0	0	109.9	T948 N952	T948-N950 PolarHBondContact O-N 2.87Å; N950-N952 PolarHBondContact O-N 3.22Å
951	Q	29.5	Very low	28.5	Very low	181 Å²	181	142.4 Å²	142.4	85%	0.846	77%	0.771	S	S	*	*	S	Bend	trans	-71.2	20.4	-169	-108.3	177.8	-13.5	0	0	116.1	I949	I949-Q951 PolarHBondContact O-N 2.6Å
952	N	28.9	Very low	29.3	Very low	161 Å²	161	144.1 Å²	144.1	86%	0.861	78%	0.781	S	S	*	*	S	Bend	trans	-111.8	21.5	-172.5	-75.8	-1.7	0	0	0	115.6	N950	N950-N952 PolarHBondContact O-N 3.22Å
953	S	28	Very low	30.3	Very low	104 Å²	104	143.1 Å²	143.1	73%	0.727	78%	0.775	S	S	*	*			trans	-137.7	56.9	169	73.5	0	0	0	0	112.1
954	L	28.3	Very low	31.8	Very low	165 Å²	165	138.1 Å²	138.1	86%	0.864	76%	0.755	S	S	*	*			trans	-104.4	63.2	172.3	-149.7	90.5	0	0	0	109.9
955	N	31	Very low	33.1	Very low	155 Å²	155	140.6 Å²	140.6	83%	0.829	76%	0.761	S	S	*	*			trans	-155.8	79.2	166	-88.1	-24.8	0	0	0	107.2
956	N	31	Very low	34.4	Very low	166 Å²	166	135.3 Å²	135.3	89%	0.888	73%	0.727	S	S	*	*			trans	-164	125.7	152.5	-90.3	-23.5	0	0	0	108.2
957	A	29.5	Very low	36.1	Very low	89 Å²	89	136.7 Å²	136.7	74%	0.736	73%	0.729	S	S	*	*			trans	-60.5	145.9	-173.2	0	0	0	0	0	113.3	T959	A957-T959 PolarHBondContact O-N 3.21Å
958	E	33.6	Very low	37.7	Very low	166 Å²	166	128.7 Å²	128.7	78%	0.776	70%	0.703	S	S	*	*			trans	51.6	57.2	150.8	-64.4	-174.5	150.8	0	0	117.9	N960	E958-N960 PolarHBondContact O-N 2.68Å; E958-N960 VanDerWaalsContact O-N 3.08Å
959	T	34.7	Very low	39.6	Very low	130 Å²	130	124 Å²	124	80%	0.798	67%	0.672	S	S	*	*			trans	-80.3	79.1	154	54.2	0	0	0	0	109.5	A957 Q961	A957-T959 PolarHBondContact O-N 3.21Å; T959-Q961 PolarHBondContact O-N 3.09Å
960	N	35.6	Very low	41.3	Very low	138 Å²	138	122.7 Å²	122.7	74%	0.738	67%	0.665	S	S	*	*			trans	-57.6	93.5	153.5	-82.1	-34.4	0	0	0	106.7	E958 P962	E958-N960 PolarHBondContact O-N 2.68Å; E958-N960 VanDerWaalsContact O-N 3.08Å; N960-P962 WeakPolarHBondContact O-CD 2.93Å; N960-P962 VanDerWaalsContact O-N 3.08Å
961	Q	38	Very low	43.2	Very low	162 Å²	162	119.3 Å²	119.3	76%	0.757	65%	0.645	S	S	*	*			trans	-53.5	119.6	172	-80.7	-177.6	-14.4	0	0	107.1	T959 L963	T959-Q961 PolarHBondContact O-N 3.09Å; Q961-L963 PolarHBondContact O-N 3.09Å
962	P	39.4	Very low	45	Very low	123 Å²	123	110.9 Å²	110.9	80%	0.799	61%	0.605	S	S	*	*			trans	-62.9	110.4	-178.3	24.2	-30.6	0	0	0	107.1	N960 C964	N960-P962 WeakPolarHBondContact O-CD 2.93Å; N960-P962 VanDerWaalsContact O-N 3.08Å; P962-C964 PolarHBondContact O-N 2.94Å
963	L	44.7	Very low	46.9	Very low	142 Å²	142	104 Å²	104	74%	0.743	57%	0.568	S	S	*	*			trans	-48.8	134	163.4	-78.8	143.7	0	0	0	106.8	Q961 I965	Q961-L963 PolarHBondContact O-N 3.09Å; L963-I965 VanDerWaalsContact C-N 3.27Å; L963-I965 PolarHBondContact O-N 3Å
964	C	54	Low	49.2	Very low	33 Å²	33	102.1 Å²	102.1	22%	0.223	56%	0.555	C	S	.	*			trans	-53.6	94.1	166.7	-86.1	0	0	0	0	109.2	C732 P962 S966	C732-C964 WeakPolarHBondContact CA-SG 3.48Å; C732-C964 HydrophobicContact CB-CB 4.33Å; C732-C964 WeakPolarHBondContact CB-SG 3.38Å; C732-C964 WeakPolarHBondContact SG-CB 3.45Å; C732-C964 CovalentContact SG-SG 2.02Å; C732-C964 PolarHBondContact SG-SG 2.59Å; P962-C964 PolarHBondContact O-N 2.94Å; C964-S966 PolarHBondContact O-N 3.35Å
965	I	52.4	Low	51.7	Low	156 Å²	156	96.8 Å²	96.8	80%	0.8	53%	0.527	S	S	*	.			trans	-87.1	39.9	164.2	-47	168.9	0	0	0	107	L963 H967	L963-I965 VanDerWaalsContact C-N 3.27Å; L963-I965 PolarHBondContact O-N 3Å; I965-H967 PolarHBondContact O-N 3.36Å
966	S	53.6	Low	54.1	Low	11 Å²	11	89.4 Å²	89.4	8%	0.077	49%	0.488	C	S	.	.			trans	-76.9	129.4	172.8	75.7	0	0	0	0	106.6	C732 C964 V968 Q969	C732-S966 PolarHBondContact SG-OG 3.31Å; C964-S966 PolarHBondContact O-N 3.35Å; S966-V968 PolarHBondContact O-N 2.9Å; S966-Q969 PolarHBondContact O-N 3.5Å; S966-Q969 PolarHBondContact OG-N 2.76Å; S966-Q969 VanDerWaalsContact OG-N 3.16Å
967	H	60.6	Low	56.5	Low	160 Å²	160	85 Å²	85	74%	0.741	46%	0.461	S	S	*	.	H	α-helix	trans	-47.7	-25.4	168.8	-171	-87.4	0	0	0	111.6	I965 H971	I965-H967 PolarHBondContact O-N 3.36Å; H967-H971 VanDerWaalsContact O-CB 3.24Å; H967-H971 WeakPolarHBondContact O-CB 3.44Å; H967-H971 PolarHBondContact O-N 3.25Å
968	V	60.7	Low	59.1	Low	41 Å²	41	84.4 Å²	84.4	25%	0.248	45%	0.447	C	S	.	.	H	α-helix	trans	-68.8	-42.2	175.5	175.2	0	0	0	0	113.5	M725 S966 I970 H971 I972	M725-V968 HydrophobicContact CE-CB 3.79Å; M725-V968 HydrophobicContact CE-CG1 4.24Å; M725-V968 HydrophobicContact CE-CG2 3.2Å; M725-V968 HydrophobicContact SD-CB 4.4Å; M725-V968 HydrophobicContact SD-CG1 4.22Å; M725-V968 HydrophobicContact SD-CG2 4.17Å; S966-V968 PolarHBondContact O-N 2.9Å; V968-I970 VanDerWaalsContact C-N 3.34Å; V968-I970 PolarHBondContact O-N 2.7Å; V968-H971 PolarHBondContact O-N 3.14Å; V968-I972 HydrophobicContact CG1-CD1 3.6Å; V968-I972 HydrophobicContact CG1-CG1 4.23Å; V968-I972 WeakPolarHBondContact O-CB 3.46Å; V968-I972 WeakPolarHBondContact O-CG1 3.46Å; V968-I972 PolarHBondContact O-N 3.5Å
969	Q	62.9	Low	61.6	Low	37 Å²	37	79 Å²	79	17%	0.173	42%	0.421	C	S	.	.	H	α-helix	trans	-62.5	-43.9	175	-175.4	62.5	34.6	0	0	111	S966 H971 I972 D973	S966-Q969 PolarHBondContact O-N 3.5Å; S966-Q969 PolarHBondContact OG-N 2.76Å; S966-Q969 VanDerWaalsContact OG-N 3.16Å; Q969-H971 VanDerWaalsContact C-N 3.32Å; Q969-H971 PolarHBondContact O-N 2.79Å; Q969-I972 PolarHBondContact O-N 2.67Å; Q969-D973 VanDerWaalsContact NE2-CG 3.27Å; Q969-D973 PolarHBondContact NE2-OD1 3.07Å; Q969-D973 VanDerWaalsContact NE2-OD1 3.08Å; Q969-D973 PolarHBondContact NE2-OD2 3.2Å; Q969-D973 WeakPolarHBondContact O-CB 3.29Å; Q969-D973 PolarHBondContact O-N 3.21Å
970	I	63.7	Low	64	Low	107 Å²	107	73 Å²	73	55%	0.549	38%	0.384	S	S	.	.	H	α-helix	trans	-62.4	-42.6	176.8	-61.4	174.2	0	0	0	110.4	V968 S974	V968-I970 VanDerWaalsContact C-N 3.34Å; V968-I970 PolarHBondContact O-N 2.7Å; I970-S974 VanDerWaalsContact O-CB 3.22Å; I970-S974 WeakPolarHBondContact O-CB 3.41Å; I970-S974 PolarHBondContact O-N 2.83Å; I970-S974 PolarHBondContact O-OG 3.31Å
971	H	66.7	Low	66.3	Low	79 Å²	79	70.1 Å²	70.1	37%	0.366	37%	0.367	S	S	.	.	H	α-helix	trans	-61.4	-49	176.7	-176.1	-99.9	0	0	0	111.8	H967 V968 Q969 S974 I975	H967-H971 VanDerWaalsContact O-CB 3.24Å; H967-H971 WeakPolarHBondContact O-CB 3.44Å; H967-H971 PolarHBondContact O-N 3.25Å; V968-H971 PolarHBondContact O-N 3.14Å; Q969-H971 VanDerWaalsContact C-N 3.32Å; Q969-H971 PolarHBondContact O-N 2.79Å; H971-S974 PolarHBondContact O-N 3.19Å; H971-S974 PolarHBondContact O-OG 3.47Å; H971-I975 WeakPolarHBondContact CE1-CD1 3.38Å; H971-I975 WeakPolarHBondContact NE2-CD1 3.22Å; H971-I975 WeakPolarHBondContact O-CG1 3.28Å; H971-I975 PolarHBondContact O-N 3.36Å
972	I	67.3	Low	68.8	Low	3 Å²	3	68.1 Å²	68.1	2%	0.015	36%	0.355	C	S	.	.	H	α-helix	trans	-62	-50.5	178.5	-69	169.6	0	0	0	110.7	V736 Y739 F740 V968 Q969 S974 I975 Y976	V736-I972 HydrophobicContact CB-CD1 4.4Å; V736-I972 HydrophobicContact CG1-CD1 3.34Å; V736-I972 HydrophobicContact CG2-CD1 4.19Å; Y739-I972 HydrophobicContact CD1-CG2 4.26Å; Y739-I972 HydrophobicContact CE1-CG2 3.82Å; F740-I972 HydrophobicContact CE1-CD1 4.35Å; F740-I972 HydrophobicContact CE1-CG1 4.48Å; F740-I972 HydrophobicContact CE1-CG2 4.11Å; F740-I972 HydrophobicContact CE2-CD1 3.86Å; F740-I972 HydrophobicContact CZ-CD1 3.45Å; F740-I972 VanDerWaalsContact CZ-CD1 3.45Å; F740-I972 HydrophobicContact CZ-CG1 3.82Å; F740-I972 HydrophobicContact CZ-CG2 4.22Å; V968-I972 HydrophobicContact CG1-CD1 3.6Å; V968-I972 HydrophobicContact CG1-CG1 4.23Å; V968-I972 WeakPolarHBondContact O-CB 3.46Å; V968-I972 WeakPolarHBondContact O-CG1 3.46Å; V968-I972 PolarHBondContact O-N 3.5Å; Q969-I972 PolarHBondContact O-N 2.67Å; I972-S974 PolarHBondContact O-N 3.32Å; I972-I975 PolarHBondContact O-N 3.39Å; I972-Y976 HydrophobicContact CB-CD2 4.38Å; I972-Y976 HydrophobicContact CG2-CD2 3.71Å; I972-Y976 HydrophobicContact CG2-CE2 4.16Å; I972-Y976 WeakPolarHBondContact O-CD2 3.28Å; I972-Y976 PolarHBondContact O-N 3.47Å
973	D	70.3	Confident	71.1	Confident	17 Å²	17	62.3 Å²	62.3	9%	0.091	32%	0.317	C	S	.	.	H	α-helix	trans	-61	-37	178.9	-74.2	-24.7	0	0	0	110.8	Q969 K977	Q969-D973 VanDerWaalsContact NE2-CG 3.27Å; Q969-D973 PolarHBondContact NE2-OD1 3.07Å; Q969-D973 VanDerWaalsContact NE2-OD1 3.08Å; Q969-D973 PolarHBondContact NE2-OD2 3.2Å; Q969-D973 WeakPolarHBondContact O-CB 3.29Å; Q969-D973 PolarHBondContact O-N 3.21Å; D973-K977 WeakPolarHBondContact O-CB 3.44Å; D973-K977 PolarHBondContact O-N 3.15Å
974	S	75.8	Confident	73.3	Confident	64 Å²	64	56.2 Å²	56.2	45%	0.448	29%	0.289	S	S	.	.	H	α-helix	trans	-68.2	-41	178	77.4	0	0	0	0	113.2	I970 H971 I972 V978	I970-S974 VanDerWaalsContact O-CB 3.22Å; I970-S974 WeakPolarHBondContact O-CB 3.41Å; I970-S974 PolarHBondContact O-N 2.83Å; I970-S974 PolarHBondContact O-OG 3.31Å; H971-S974 PolarHBondContact O-N 3.19Å; H971-S974 PolarHBondContact O-OG 3.47Å; I972-S974 PolarHBondContact O-N 3.32Å; S974-V978 WeakPolarHBondContact O-CG2 3.45Å
975	I	79.7	Confident	75	Confident	54 Å²	54	60.8 Å²	60.8	28%	0.277	31%	0.307	S	S	.	.	H	α-helix	trans	-80.8	-51.5	-174.8	-68.2	177.1	0	0	0	111.5	H971 I972 V978 K979	H971-I975 WeakPolarHBondContact CE1-CD1 3.38Å; H971-I975 WeakPolarHBondContact NE2-CD1 3.22Å; H971-I975 WeakPolarHBondContact O-CG1 3.28Å; H971-I975 PolarHBondContact O-N 3.36Å; I972-I975 PolarHBondContact O-N 3.39Å; I975-V978 PolarHBondContact O-N 3.22Å; I975-K979 HydrophobicContact CG2-CD 4.26Å; I975-K979 PolarHBondContact O-N 3.45Å; I975-K979 VanDerWaalsContact O-N 3.13Å
976	Y	81.4	Confident	76.8	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-74.6	-30.7	-173.4	-70.2	-77.1	0	0	0	112.5	I711 G714 I715 D718 F740 L743 I972 V978 K979 L980	I711-Y976 HydrophobicContact CG2-CD1 4.23Å; I711-Y976 HydrophobicContact CG2-CE1 4.28Å; G714-Y976 PolarHBondContact O-OH 3.35Å; I715-Y976 WeakPolarHBondContact CA-OH 3.4Å; I715-Y976 HydrophobicContact CG1-CD1 4.33Å; I715-Y976 HydrophobicContact CG1-CE1 3.52Å; I715-Y976 PolarHBondContact N-OH 3.45Å; D718-Y976 VanDerWaalsContact OD2-CE2 3.3Å; D718-Y976 WeakPolarHBondContact OD2-CE2 3.21Å; D718-Y976 PolarHBondContact OD2-OH 3.3Å; F740-Y976 HydrophobicContact CE1-CD2 4.27Å; F740-Y976 AromaticContact CE1-CE2 3.6Å; F740-Y976 HydrophobicContact CE1-CE2 3.6Å; F740-Y976 AromaticContact CE1-CZ 3.9Å; F740-Y976 HydrophobicContact CZ-CE2 4.22Å; L743-Y976 HydrophobicContact CD2-CD1 4.07Å; L743-Y976 HydrophobicContact CD2-CG 4.49Å; I972-Y976 HydrophobicContact CB-CD2 4.38Å; I972-Y976 HydrophobicContact CG2-CD2 3.71Å; I972-Y976 HydrophobicContact CG2-CE2 4.16Å; I972-Y976 WeakPolarHBondContact O-CD2 3.28Å; I972-Y976 PolarHBondContact O-N 3.47Å; Y976-V978 VanDerWaalsContact C-N 3.31Å; Y976-V978 PolarHBondContact O-N 3.31Å; Y976-K979 PolarHBondContact O-N 2.95Å; Y976-L980 VanDerWaalsContact O-CB 3.23Å; Y976-L980 WeakPolarHBondContact O-CB 3.26Å; Y976-L980 WeakPolarHBondContact O-CG 3.5Å; Y976-L980 PolarHBondContact O-N 3.34Å
977	K	81.6	Confident	78.6	Confident	74 Å²	74	53.2 Å²	53.2	32%	0.322	27%	0.269	S	S	.	.	H	α-helix	trans	-58.2	-45.2	172.7	-177.8	-179	176.6	-175.9	0	111.4	D973 L980 E981	D973-K977 WeakPolarHBondContact O-CB 3.44Å; D973-K977 PolarHBondContact O-N 3.15Å; K977-L980 PolarHBondContact O-N 2.92Å; K977-E981 VanDerWaalsContact O-CB 3.32Å; K977-E981 WeakPolarHBondContact O-CB 3.5Å; K977-E981 PolarHBondContact O-N 3.35Å
978	V	84.5	Confident	80.1	Confident	75 Å²	75	47.6 Å²	47.6	46%	0.455	25%	0.25	S	C	.	.	H	α-helix	trans	-66.6	-44.1	178.4	175.6	0	0	0	0	111	S974 I975 Y976 L980 E981 K982	S974-V978 WeakPolarHBondContact O-CG2 3.45Å; I975-V978 PolarHBondContact O-N 3.22Å; Y976-V978 VanDerWaalsContact C-N 3.31Å; Y976-V978 PolarHBondContact O-N 3.31Å; V978-L980 PolarHBondContact O-N 2.85Å; V978-E981 PolarHBondContact O-N 3.3Å; V978-K982 WeakPolarHBondContact O-CG 3.44Å; V978-K982 PolarHBondContact O-N 3.37Å
979	K	85.2	Confident	81.5	Confident	52 Å²	52	47.6 Å²	47.6	23%	0.226	25%	0.25	C	C	.	.	H	α-helix	trans	-63.3	-41.1	177.5	-70.8	-176.2	174.5	-175.5	0	112.5	E710 I711 I975 Y976 K982 L983	E710-K979 PolarHBondContact O-NZ 2.85Å; I711-K979 HydrophobicContact CD1-CB 4.26Å; I711-K979 HydrophobicContact CG1-CB 3.89Å; I711-K979 HydrophobicContact CG1-CD 4.1Å; I975-K979 HydrophobicContact CG2-CD 4.26Å; I975-K979 PolarHBondContact O-N 3.45Å; I975-K979 VanDerWaalsContact O-N 3.13Å; Y976-K979 PolarHBondContact O-N 2.95Å; K979-K982 PolarHBondContact O-N 3.31Å; K979-L983 WeakPolarHBondContact O-CB 3.43Å; K979-L983 PolarHBondContact O-N 3.07Å
980	L	85.1	Confident	82.8	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-71.3	-32.4	178.3	-70.3	171.2	0	0	0	112.6	I711 L743 L867 M874 Y976 K977 V978 L983 G984	I711-L980 HydrophobicContact CD1-CD2 4.23Å; L743-L980 HydrophobicContact CD1-CD1 4.21Å; L743-L980 HydrophobicContact CD1-CD2 4.06Å; L867-L980 HydrophobicContact CD2-CD2 3.74Å; M874-L980 HydrophobicContact CE-CD1 3.23Å; M874-L980 HydrophobicContact SD-CD1 3.65Å; Y976-L980 VanDerWaalsContact O-CB 3.23Å; Y976-L980 WeakPolarHBondContact O-CB 3.26Å; Y976-L980 WeakPolarHBondContact O-CG 3.5Å; Y976-L980 PolarHBondContact O-N 3.34Å; K977-L980 PolarHBondContact O-N 2.92Å; V978-L980 PolarHBondContact O-N 2.85Å; L980-L983 HydrophobicContact CD2-CD2 4.43Å; L980-L983 PolarHBondContact O-N 2.93Å; L980-G984 PolarHBondContact O-N 3Å
981	E	85.8	Confident	84.1	Confident	78 Å²	78	41.4 Å²	41.4	36%	0.364	22%	0.219	S	C	.	.	H	α-helix	trans	-63.4	-48.8	170.9	176.4	156.9	-145.4	0	0	111.3	R871 K977 V978 L983 G984 E985	R871-E981 IonicContact CZ-OE1 3.66Å; R871-E981 VanDerWaalsContact CZ-OE1 3.23Å; R871-E981 IonicContact CZ-OE2 3.98Å; R871-E981 IonicContact NH1-OE1 3.31Å; R871-E981 PolarHBondContact NH1-OE1 3.17Å; R871-E981 VanDerWaalsContact NH1-OE1 3.09Å; R871-E981 IonicContact NH1-OE2 2.62Å; R871-E981 IonicContact NH2-OE1 2.7Å; R871-E981 PolarHBondContact NH2-OE1 3.18Å; R871-E981 IonicContact NH2-OE2 3.92Å; R871-E981 PolarHBondContact NH2-OE2 2.85Å; K977-E981 VanDerWaalsContact O-CB 3.32Å; K977-E981 WeakPolarHBondContact O-CB 3.5Å; K977-E981 PolarHBondContact O-N 3.35Å; V978-E981 PolarHBondContact O-N 3.3Å; E981-L983 VanDerWaalsContact C-N 3.32Å; E981-L983 PolarHBondContact O-N 3.28Å; E981-G984 PolarHBondContact O-N 2.92Å; E981-G984 VanDerWaalsContact O-N 3.17Å; E981-E985 WeakPolarHBondContact O-CB 3.48Å; E981-E985 PolarHBondContact O-N 2.83Å
982	K	88.8	Confident	85.3	Confident	120 Å²	120	43.7 Å²	43.7	52%	0.522	23%	0.23	S	C	.	.	H	α-helix	trans	-59	-42.1	174.4	-71.2	-178	178.1	-173.6	0	112.4	L707 V978 K979 E985 A986	L707-K982 HydrophobicContact CD2-CB 4.38Å; V978-K982 WeakPolarHBondContact O-CG 3.44Å; V978-K982 PolarHBondContact O-N 3.37Å; K979-K982 PolarHBondContact O-N 3.31Å; K982-E985 PolarHBondContact O-N 2.99Å; K982-A986 WeakPolarHBondContact O-CB 3.39Å; K982-A986 PolarHBondContact O-N 3.5Å
983	L	89	Confident	86.3	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.7	-43.7	175.8	179.3	62.8	0	0	0	111.6	I704 L707 L708 I711 L867 K979 L980 E981 A986 I987	I704-L983 HydrophobicContact CG2-CD1 4.08Å; L707-L983 HydrophobicContact CB-CD1 4.01Å; L708-L983 HydrophobicContact CD2-CD1 4.17Å; L708-L983 HydrophobicContact CD2-CD2 3.71Å; L708-L983 HydrophobicContact CG-CD1 4.14Å; I711-L983 HydrophobicContact CD1-CB 4.26Å; I711-L983 HydrophobicContact CD1-CD2 3.77Å; L867-L983 HydrophobicContact CD1-CD2 3.6Å; L867-L983 HydrophobicContact CD1-CG 3.96Å; L867-L983 HydrophobicContact CD2-CD2 4.32Å; K979-L983 WeakPolarHBondContact O-CB 3.43Å; K979-L983 PolarHBondContact O-N 3.07Å; L980-L983 HydrophobicContact CD2-CD2 4.43Å; L980-L983 PolarHBondContact O-N 2.93Å; E981-L983 VanDerWaalsContact C-N 3.32Å; E981-L983 PolarHBondContact O-N 3.28Å; L983-A986 PolarHBondContact O-N 3.39Å; L983-I987 HydrophobicContact CD1-CD1 4.1Å; L983-I987 HydrophobicContact CD1-CG1 4.37Å; L983-I987 HydrophobicContact CG-CD1 3.95Å; L983-I987 VanDerWaalsContact O-CG1 3.24Å; L983-I987 WeakPolarHBondContact O-CG1 3.45Å; L983-I987 PolarHBondContact O-N 2.84Å
984	G	90.3	Very high	87.2	Confident	14 Å²	14	46.2 Å²	46.2	14%	0.144	24%	0.238	C	C	.	.	H	α-helix	trans	-63	-42.4	177	0	0	0	0	0	112.7	L864 L980 E981 I987 A988	L864-G984 VanDerWaalsContact CD1-O 3.26Å; L864-G984 WeakPolarHBondContact CD1-O 3.47Å; L980-G984 PolarHBondContact O-N 3Å; E981-G984 PolarHBondContact O-N 2.92Å; E981-G984 VanDerWaalsContact O-N 3.17Å; G984-I987 PolarHBondContact O-N 3.16Å; G984-A988 WeakPolarHBondContact O-CB 3.32Å; G984-A988 PolarHBondContact O-N 3.27Å
985	E	89.3	Confident	87.8	Confident	130 Å²	130	46.2 Å²	46.2	61%	0.607	23%	0.231	S	C	*	.	H	α-helix	trans	-61.1	-49.6	174.2	-174	178.3	-175.9	0	0	111.1	E981 K982 I987 A988 T989	E981-E985 WeakPolarHBondContact O-CB 3.48Å; E981-E985 PolarHBondContact O-N 2.83Å; K982-E985 PolarHBondContact O-N 2.99Å; E985-I987 VanDerWaalsContact C-N 3.32Å; E985-I987 PolarHBondContact O-N 3.32Å; E985-A988 PolarHBondContact O-N 3.25Å; E985-A988 VanDerWaalsContact O-N 3.09Å; E985-T989 PolarHBondContact O-N 2.97Å; E985-T989 PolarHBondContact O-OG1 2.97Å; E985-T989 VanDerWaalsContact O-OG1 3.1Å
986	A	90.6	Very high	88.2	Confident	8 Å²	8	48.7 Å²	48.7	7%	0.066	24%	0.244	C	C	.	.	H	α-helix	trans	-58.3	-42	177.6	0	0	0	0	0	112.4	I704 L707 K982 L983 C990	I704-A986 HydrophobicContact CG1-CB 3.91Å; L707-A986 HydrophobicContact CD1-CB 3.88Å; K982-A986 WeakPolarHBondContact O-CB 3.39Å; K982-A986 PolarHBondContact O-N 3.5Å; L983-A986 PolarHBondContact O-N 3.39Å; A986-C990 VanDerWaalsContact O-CB 3.25Å; A986-C990 WeakPolarHBondContact O-CB 3.42Å; A986-C990 PolarHBondContact O-N 3.47Å
987	I	91.2	Very high	88.5	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64	-43.3	175	-68	165.6	0	0	0	111.2	I704 F750 L860 L864 L867 L983 G984 E985 C990 L991	I704-I987 HydrophobicContact CD1-CG1 3.95Å; I704-I987 HydrophobicContact CG1-CG1 4.17Å; I704-I987 HydrophobicContact CG2-CG1 4.43Å; F750-I987 HydrophobicContact CE1-CD1 3.86Å; F750-I987 HydrophobicContact CZ-CD1 4.12Å; F750-I987 HydrophobicContact CZ-CG1 4.46Å; L860-I987 HydrophobicContact CB-CG2 4.07Å; L860-I987 HydrophobicContact CD2-CG1 4.5Å; L860-I987 HydrophobicContact CD2-CG2 4.12Å; L860-I987 WeakPolarHBondContact O-CG2 3.46Å; L864-I987 HydrophobicContact CB-CG2 3.81Å; L864-I987 HydrophobicContact CD1-CB 4.33Å; L864-I987 HydrophobicContact CD1-CG2 4.23Å; L864-I987 HydrophobicContact CG-CG2 4.42Å; L867-I987 HydrophobicContact CD1-CD1 3.61Å; L983-I987 HydrophobicContact CD1-CD1 4.1Å; L983-I987 HydrophobicContact CD1-CG1 4.37Å; L983-I987 HydrophobicContact CG-CD1 3.95Å; L983-I987 VanDerWaalsContact O-CG1 3.24Å; L983-I987 WeakPolarHBondContact O-CG1 3.45Å; L983-I987 PolarHBondContact O-N 2.84Å; G984-I987 PolarHBondContact O-N 3.16Å; E985-I987 VanDerWaalsContact C-N 3.32Å; E985-I987 PolarHBondContact O-N 3.32Å; I987-C990 PolarHBondContact O-N 2.94Å; I987-L991 HydrophobicContact CG2-CD1 4.17Å; I987-L991 WeakPolarHBondContact O-CB 3.24Å; I987-L991 WeakPolarHBondContact O-CG 3.33Å; I987-L991 PolarHBondContact O-N 3.39Å
988	A	91.6	Very high	88.7	Confident	42 Å²	42	45.7 Å²	45.7	35%	0.347	23%	0.231	S	C	.	.	H	α-helix	trans	-64.1	-44.9	178.9	0	0	0	0	0	111.9	L864 G984 E985 C990 L991 Q992	L864-A988 HydrophobicContact CD1-CB 4.47Å; L864-A988 HydrophobicContact CD2-CB 4.2Å; G984-A988 WeakPolarHBondContact O-CB 3.32Å; G984-A988 PolarHBondContact O-N 3.27Å; E985-A988 PolarHBondContact O-N 3.25Å; E985-A988 VanDerWaalsContact O-N 3.09Å; A988-C990 VanDerWaalsContact C-N 3.35Å; A988-C990 PolarHBondContact O-N 2.93Å; A988-L991 WeakPolarHBondContact O-CB 3.49Å; A988-L991 PolarHBondContact O-N 3.41Å; A988-Q992 PolarHBondContact O-N 2.75Å
989	T	91.4	Very high	88.9	Confident	41 Å²	41	45.7 Å²	45.7	25%	0.252	23%	0.231	S	C	.	.	H	α-helix	trans	-61.1	-43.7	174.1	-55.6	0	0	0	0	111.3	Q700 E985 L991 Q992 R993	Q700-T989 HydrophobicContact CG-CG2 4.39Å; E985-T989 PolarHBondContact O-N 2.97Å; E985-T989 PolarHBondContact O-OG1 2.97Å; E985-T989 VanDerWaalsContact O-OG1 3.1Å; T989-L991 VanDerWaalsContact C-N 3.33Å; T989-L991 PolarHBondContact O-N 3.38Å; T989-Q992 PolarHBondContact O-N 3.31Å; T989-R993 WeakPolarHBondContact O-CG 3.25Å; T989-R993 PolarHBondContact O-N 2.9Å
990	C	90.3	Very high	89.1	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.7	-41.8	176.3	-174.1	0	0	0	0	111.9	Q700 I704 L860 A986 I987 A988 R993 L994	Q700-C990 HydrophobicContact CB-CB 4.19Å; I704-C990 HydrophobicContact CD1-CB 3.68Å; L860-C990 HydrophobicContact CD1-CB 4.36Å; A986-C990 VanDerWaalsContact O-CB 3.25Å; A986-C990 WeakPolarHBondContact O-CB 3.42Å; A986-C990 PolarHBondContact O-N 3.47Å; I987-C990 PolarHBondContact O-N 2.94Å; A988-C990 VanDerWaalsContact C-N 3.35Å; A988-C990 PolarHBondContact O-N 2.93Å; C990-R993 PolarHBondContact O-N 3.3Å; C990-L994 VanDerWaalsContact O-CB 3.26Å; C990-L994 WeakPolarHBondContact O-CB 3.41Å; C990-L994 PolarHBondContact O-N 2.91Å
991	L	90.7	Very high	89.3	Confident	14 Å²	14	45.3 Å²	45.3	7%	0.073	24%	0.235	C	C	.	.	H	α-helix	trans	-61.9	-47.6	176.6	-83	169.1	0	0	0	112.3	K857 L860 R861 L864 I987 A988 T989 R993 L994 E995	K857-L991 HydrophobicContact CG-CD2 4.17Å; L860-L991 HydrophobicContact CB-CD1 4.13Å; L860-L991 HydrophobicContact CB-CD2 3.55Å; L860-L991 HydrophobicContact CB-CG 3.72Å; L860-L991 HydrophobicContact CD1-CD2 4.09Å; L860-L991 HydrophobicContact CD1-CG 4.2Å; L860-L991 HydrophobicContact CG-CD2 4.49Å; R861-L991 HydrophobicContact CG-CD1 3.92Å; R861-L991 HydrophobicContact CG-CD2 3.91Å; L864-L991 HydrophobicContact CD2-CD1 3.84Å; I987-L991 HydrophobicContact CG2-CD1 4.17Å; I987-L991 WeakPolarHBondContact O-CB 3.24Å; I987-L991 WeakPolarHBondContact O-CG 3.33Å; I987-L991 PolarHBondContact O-N 3.39Å; A988-L991 WeakPolarHBondContact O-CB 3.49Å; A988-L991 PolarHBondContact O-N 3.41Å; T989-L991 VanDerWaalsContact C-N 3.33Å; T989-L991 PolarHBondContact O-N 3.38Å; L991-R993 PolarHBondContact O-N 3.02Å; L991-L994 PolarHBondContact O-N 2.65Å; L991-E995 WeakPolarHBondContact O-CG 3.21Å; L991-E995 PolarHBondContact O-N 3.32Å
992	Q	91.2	Very high	89.3	Confident	126 Å²	126	43.7 Å²	43.7	59%	0.589	23%	0.23	S	C	*	.	H	α-helix	trans	-60.5	-45.7	178.8	-175	-177.9	5	0	0	111.4	A988 T989 E995 L996	A988-Q992 PolarHBondContact O-N 2.75Å; T989-Q992 PolarHBondContact O-N 3.31Å; Q992-E995 PolarHBondContact O-N 2.8Å; Q992-L996 HydrophobicContact CG-CD1 4.41Å; Q992-L996 WeakPolarHBondContact O-CG 3.25Å; Q992-L996 PolarHBondContact O-N 3.27Å; Q992-L996 VanDerWaalsContact O-N 3.1Å
993	R	89.3	Confident	89.3	Confident	73 Å²	73	44.2 Å²	44.2	28%	0.275	23%	0.228	S	C	.	.	H	α-helix	trans	-63.8	-41.6	177.8	-71.3	179.3	177.6	-152.4	-13.8	112.1	D696 L697 T989 C990 L991 E995 L996 F997	D696-R993 PolarHBondContact O-NH1 3.39Å; D696-R993 IonicContact OD1-CZ 3.95Å; D696-R993 IonicContact OD1-NH1 2.68Å; D696-R993 PolarHBondContact OD1-NH1 3.2Å; D696-R993 IonicContact OD1-NH2 3.23Å; D696-R993 IonicContact OD2-NH1 3.09Å; L697-R993 HydrophobicContact CD1-CB 4.2Å; T989-R993 WeakPolarHBondContact O-CG 3.25Å; T989-R993 PolarHBondContact O-N 2.9Å; C990-R993 PolarHBondContact O-N 3.3Å; L991-R993 PolarHBondContact O-N 3.02Å; R993-E995 PolarHBondContact O-N 3.08Å; R993-L996 PolarHBondContact O-N 3.33Å; R993-F997 WeakPolarHBondContact O-CB 3.42Å; R993-F997 PolarHBondContact O-N 2.95Å
994	L	88.4	Confident	89.3	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.2	-43.5	176.9	-179.4	64.7	0	0	0	111.7	L697 Y764 L856 K857 L860 C990 L991 F997 Q998	L697-L994 HydrophobicContact CD1-CB 3.96Å; L697-L994 HydrophobicContact CD2-CB 4.43Å; L697-L994 HydrophobicContact CD2-CD1 3.78Å; Y764-L994 HydrophobicContact CD1-CD1 4.18Å; Y764-L994 HydrophobicContact CE1-CD1 3.78Å; Y764-L994 HydrophobicContact CE2-CD1 4.24Å; L856-L994 HydrophobicContact CB-CD2 4.39Å; L856-L994 HydrophobicContact CD2-CD1 4.48Å; L856-L994 HydrophobicContact CD2-CD2 4.11Å; L856-L994 HydrophobicContact CG-CD2 4.13Å; K857-L994 HydrophobicContact CB-CD2 3.9Å; L860-L994 HydrophobicContact CD1-CD2 4.45Å; C990-L994 VanDerWaalsContact O-CB 3.26Å; C990-L994 WeakPolarHBondContact O-CB 3.41Å; C990-L994 PolarHBondContact O-N 2.91Å; L991-L994 PolarHBondContact O-N 2.65Å; L994-F997 PolarHBondContact O-N 3.25Å; L994-Q998 HydrophobicContact CD1-CG 4.3Å; L994-Q998 WeakPolarHBondContact O-CB 3.38Å; L994-Q998 VanDerWaalsContact O-CG 3.27Å; L994-Q998 WeakPolarHBondContact O-CG 3.45Å; L994-Q998 PolarHBondContact O-N 3.41Å
995	E	88.1	Confident	89.1	Confident	65 Å²	65	44.8 Å²	44.8	30%	0.304	23%	0.228	S	C	.	.	H	α-helix	trans	-65.2	-42.6	178.8	-73.7	-174.5	165.7	0	0	112.5	K857 R861 L991 Q992 R993 T999	K857-E995 HydrophobicContact CD-CG 4.38Å; K857-E995 WeakPolarHBondContact CE-OE1 3.45Å; K857-E995 IonicContact NZ-OE1 3.18Å; K857-E995 PolarHBondContact NZ-OE1 3.01Å; R861-E995 IonicContact CZ-OE1 3.52Å; R861-E995 IonicContact NE-OE1 3.45Å; R861-E995 IonicContact NH2-OE1 3.49Å; R861-E995 PolarHBondContact NH2-OE1 2.91Å; L991-E995 WeakPolarHBondContact O-CG 3.21Å; L991-E995 PolarHBondContact O-N 3.32Å; Q992-E995 PolarHBondContact O-N 2.8Å; R993-E995 PolarHBondContact O-N 3.08Å; E995-T999 VanDerWaalsContact O-CB 3.32Å; E995-T999 WeakPolarHBondContact O-CB 3.48Å; E995-T999 PolarHBondContact O-N 2.93Å; E995-T999 PolarHBondContact O-OG1 3.01Å
996	L	87.7	Confident	89	Confident	106 Å²	106	44.5 Å²	44.5	56%	0.555	22%	0.224	S	C	*	.	H	α-helix	trans	-61.9	-48.9	175.7	-70.5	172.1	0	0	0	111.1	Q992 R993 Q998 T999 S1000	Q992-L996 HydrophobicContact CG-CD1 4.41Å; Q992-L996 WeakPolarHBondContact O-CG 3.25Å; Q992-L996 PolarHBondContact O-N 3.27Å; Q992-L996 VanDerWaalsContact O-N 3.1Å; R993-L996 PolarHBondContact O-N 3.33Å; L996-Q998 PolarHBondContact O-N 2.84Å; L996-T999 PolarHBondContact O-N 3.28Å; L996-S1000 PolarHBondContact O-N 3.43Å; L996-S1000 PolarHBondContact O-OG 3.03Å
997	F	88.4	Confident	88.8	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.009	26%	0.257	C	S	.	.	H	α-helix	trans	-58.4	-49.7	177.4	175.7	-97.5	0	0	0	112	L690 Y694 Y764 I842 L845 R993 L994 T999 S1000 M1001	L690-F997 HydrophobicContact CB-CD2 4.46Å; L690-F997 HydrophobicContact CB-CE2 4.18Å; L690-F997 HydrophobicContact CD1-CE2 4.37Å; Y694-F997 HydrophobicContact CD2-CD1 4.36Å; Y694-F997 HydrophobicContact CD2-CD2 4.11Å; Y694-F997 AromaticContact CD2-CE1 3.86Å; Y694-F997 HydrophobicContact CD2-CE1 3.86Å; Y694-F997 AromaticContact CD2-CE2 3.58Å; Y694-F997 HydrophobicContact CD2-CE2 3.58Å; Y694-F997 HydrophobicContact CD2-CG 4.48Å; Y694-F997 AromaticContact CD2-CZ 3.44Å; Y694-F997 HydrophobicContact CD2-CZ 3.44Å; Y694-F997 VanDerWaalsContact CD2-CZ 3.44Å; Y694-F997 HydrophobicContact CE2-CE1 4.21Å; Y694-F997 HydrophobicContact CE2-CZ 4Å; Y694-F997 HydrophobicContact CG-CE2 4.06Å; Y694-F997 HydrophobicContact CG-CZ 4.29Å; Y764-F997 AromaticContact CE1-CD1 3.84Å; Y764-F997 HydrophobicContact CE1-CD1 3.84Å; Y764-F997 AromaticContact CE1-CE1 3.78Å; Y764-F997 HydrophobicContact CE1-CE1 3.78Å; Y764-F997 WeakPolarHBondContact OH-CE1 3.4Å; I842-F997 HydrophobicContact CD1-CE2 4.34Å; I842-F997 HydrophobicContact CG1-CE2 4.46Å; L845-F997 HydrophobicContact CD1-CE1 4.34Å; L845-F997 HydrophobicContact CD1-CZ 4.12Å; R993-F997 WeakPolarHBondContact O-CB 3.42Å; R993-F997 PolarHBondContact O-N 2.95Å; L994-F997 PolarHBondContact O-N 3.25Å; F997-T999 VanDerWaalsContact C-N 3.32Å; F997-T999 PolarHBondContact O-N 3.17Å; F997-S1000 PolarHBondContact O-N 3.16Å; F997-M1001 HydrophobicContact CZ-SD 4.49Å; F997-M1001 WeakPolarHBondContact O-CB 3.44Å; F997-M1001 PolarHBondContact O-N 3.37Å
998	Q	86.8	Confident	88.6	Confident	9 Å²	9	54 Å²	54	4%	0.042	26%	0.26	C	S	.	.	H	α-helix	trans	-61.4	-40.9	179.7	-77.4	172.7	-2.7	0	0	112.5	L994 L996 M1001 N1002	L994-Q998 HydrophobicContact CD1-CG 4.3Å; L994-Q998 WeakPolarHBondContact O-CB 3.38Å; L994-Q998 VanDerWaalsContact O-CG 3.27Å; L994-Q998 WeakPolarHBondContact O-CG 3.45Å; L994-Q998 PolarHBondContact O-N 3.41Å; L996-Q998 PolarHBondContact O-N 2.84Å; Q998-M1001 PolarHBondContact O-N 3.36Å; Q998-N1002 VanDerWaalsContact O-CB 3.27Å; Q998-N1002 WeakPolarHBondContact O-CB 3.26Å; Q998-N1002 PolarHBondContact O-N 3.13Å; Q998-N1002 PolarHBondContact O-ND2 2.89Å; Q998-N1002 VanDerWaalsContact O-ND2 3.11Å
999	T	87.7	Confident	88.2	Confident	74 Å²	74	57.6 Å²	57.6	45%	0.454	27%	0.267	S	S	.	.	H	α-helix	trans	-61.6	-53.1	178.9	-59.4	0	0	0	0	109.7	E995 L996 F997 M1001 N1002 W1003	E995-T999 VanDerWaalsContact O-CB 3.32Å; E995-T999 WeakPolarHBondContact O-CB 3.48Å; E995-T999 PolarHBondContact O-N 2.93Å; E995-T999 PolarHBondContact O-OG1 3.01Å; L996-T999 PolarHBondContact O-N 3.28Å; F997-T999 VanDerWaalsContact C-N 3.32Å; F997-T999 PolarHBondContact O-N 3.17Å; T999-M1001 PolarHBondContact O-N 3.02Å; T999-N1002 PolarHBondContact O-N 2.9Å; T999-W1003 PolarHBondContact O-N 3.32Å
1000	S	89.7	Confident	87.6	Confident	48 Å²	48	63.7 Å²	63.7	34%	0.336	29%	0.293	S	S	.	.	H	α-helix	trans	-59.1	-45.3	178.3	-58.7	0	0	0	0	112.1	L996 F997 N1002 W1003 I1004	L996-S1000 PolarHBondContact O-N 3.43Å; L996-S1000 PolarHBondContact O-OG 3.03Å; F997-S1000 PolarHBondContact O-N 3.16Å; S1000-N1002 PolarHBondContact O-N 3.2Å; S1000-W1003 PolarHBondContact O-N 3.31Å; S1000-I1004 WeakPolarHBondContact O-CG1 3.42Å; S1000-I1004 PolarHBondContact O-N 3.01Å
1001	M	88	Confident	87	Confident	1 Å²	1	65 Å²	65	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-61	-46.8	179.3	-164.4	67.6	-174.4	0	0	112.4	L687 L690 I842 L845 F846 Y852 F997 Q998 T999 W1003 I1004 I1005	L687-M1001 HydrophobicContact CD2-CE 3.89Å; L687-M1001 HydrophobicContact CD2-SD 3.78Å; L690-M1001 HydrophobicContact CD1-SD 3.98Å; I842-M1001 HydrophobicContact CG2-CE 4.38Å; I842-M1001 HydrophobicContact CG2-SD 4.32Å; I842-M1001 WeakPolarHBondContact O-CE 3.45Å; L845-M1001 VanDerWaalsContact C-CE 3.41Å; L845-M1001 HydrophobicContact CB-CE 3.79Å; F846-M1001 HydrophobicContact CB-CE 3.51Å; F846-M1001 HydrophobicContact CD2-CE 4.48Å; Y852-M1001 HydrophobicContact CD2-CG 4.36Å; Y852-M1001 HydrophobicContact CE2-CG 4.13Å; F997-M1001 HydrophobicContact CZ-SD 4.49Å; F997-M1001 WeakPolarHBondContact O-CB 3.44Å; F997-M1001 PolarHBondContact O-N 3.37Å; Q998-M1001 PolarHBondContact O-N 3.36Å; T999-M1001 PolarHBondContact O-N 3.02Å; M1001-W1003 VanDerWaalsContact C-N 3.32Å; M1001-W1003 PolarHBondContact O-N 3.45Å; M1001-I1004 PolarHBondContact O-N 2.82Å; M1001-I1005 HydrophobicContact CE-CD1 4.39Å; M1001-I1005 HydrophobicContact CG-CD1 4.14Å; M1001-I1005 WeakPolarHBondContact O-CG1 3.38Å; M1001-I1005 PolarHBondContact O-N 2.97Å
1002	N	87.5	Confident	86.3	Confident	45 Å²	45	65.2 Å²	65.2	24%	0.241	30%	0.301	C	S	.	.	H	α-helix	trans	-64.4	-36.2	178.7	-75.4	-32.9	0	0	0	112	Y852 Q998 T999 S1000 K1006	Y852-N1002 PolarHBondContact N-OD1 2.96Å; Q998-N1002 VanDerWaalsContact O-CB 3.27Å; Q998-N1002 WeakPolarHBondContact O-CB 3.26Å; Q998-N1002 PolarHBondContact O-N 3.13Å; Q998-N1002 PolarHBondContact O-ND2 2.89Å; Q998-N1002 VanDerWaalsContact O-ND2 3.11Å; T999-N1002 PolarHBondContact O-N 2.9Å; S1000-N1002 PolarHBondContact O-N 3.2Å; N1002-K1006 VanDerWaalsContact O-CB 3.26Å; N1002-K1006 WeakPolarHBondContact O-CB 3.5Å; N1002-K1006 PolarHBondContact O-N 2.92Å
1003	W	87.9	Confident	85.4	Confident	131 Å²	131	67.1 Å²	67.1	50%	0.496	31%	0.307	S	S	.	.	H	α-helix	trans	-61.6	-51.9	172.4	-79.7	113.6	0	0	0	110.8	T999 S1000 M1001 I1005 K1006 W1007	T999-W1003 PolarHBondContact O-N 3.32Å; S1000-W1003 PolarHBondContact O-N 3.31Å; M1001-W1003 VanDerWaalsContact C-N 3.32Å; M1001-W1003 PolarHBondContact O-N 3.45Å; W1003-I1005 VanDerWaalsContact C-N 3.31Å; W1003-I1005 PolarHBondContact O-N 2.84Å; W1003-K1006 HydrophobicContact CE3-CD 4.29Å; W1003-K1006 HydrophobicContact CZ3-CD 4.34Å; W1003-K1006 WeakPolarHBondContact O-CB 2.96Å; W1003-K1006 PolarHBondContact O-N 3.49Å; W1003-K1006 VanDerWaalsContact O-N 3.08Å; W1003-W1007 AromaticContact CE3-NE1 3.51Å; W1003-W1007 PolarHBondContact O-N 3.4Å
1004	I	88.8	Confident	84.6	Confident	15 Å²	15	68.6 Å²	68.6	8%	0.077	32%	0.324	C	S	.	.	H	α-helix	trans	-57.8	-44.7	-179.8	-61.8	164.9	0	0	0	110.9	E686 L687 L690 F846 S1000 M1001 K1006 W1007 N1008	E686-I1004 HydrophobicContact CB-CD1 3.83Å; E686-I1004 HydrophobicContact CB-CG1 4.18Å; L687-I1004 HydrophobicContact CD2-CD1 3.9Å; L687-I1004 HydrophobicContact CD2-CG2 3.95Å; L687-I1004 HydrophobicContact CG-CD1 4.34Å; L687-I1004 HydrophobicContact CG-CG2 4.09Å; L690-I1004 HydrophobicContact CD1-CD1 3.63Å; L690-I1004 HydrophobicContact CG-CD1 4.38Å; F846-I1004 HydrophobicContact CD2-CG2 4.05Å; F846-I1004 HydrophobicContact CE2-CG2 3.85Å; S1000-I1004 WeakPolarHBondContact O-CG1 3.42Å; S1000-I1004 PolarHBondContact O-N 3.01Å; M1001-I1004 PolarHBondContact O-N 2.82Å; I1004-K1006 PolarHBondContact O-N 3.27Å; I1004-W1007 PolarHBondContact O-N 3.44Å; I1004-N1008 WeakPolarHBondContact O-CB 3.48Å; I1004-N1008 PolarHBondContact O-N 3.32Å; I1004-N1008 VanDerWaalsContact O-N 3.16Å; I1004-N1008 PolarHBondContact O-ND2 2.88Å
1005	I	87.3	Confident	83.7	Confident	10 Å²	10	70.6 Å²	70.6	5%	0.051	33%	0.333	C	S	.	.	H	α-helix	trans	-60	-46.5	175.6	-70.7	169.3	0	0	0	111.1	F846 Y852 M1001 W1003 W1007 N1008 K1009 L1012	F846-I1005 HydrophobicContact CD2-CG1 3.81Å; F846-I1005 HydrophobicContact CE2-CG1 4.21Å; Y852-I1005 HydrophobicContact CD2-CD1 4.34Å; Y852-I1005 HydrophobicContact CE2-CD1 3.79Å; M1001-I1005 HydrophobicContact CE-CD1 4.39Å; M1001-I1005 HydrophobicContact CG-CD1 4.14Å; M1001-I1005 WeakPolarHBondContact O-CG1 3.38Å; M1001-I1005 PolarHBondContact O-N 2.97Å; W1003-I1005 VanDerWaalsContact C-N 3.31Å; W1003-I1005 PolarHBondContact O-N 2.84Å; I1005-W1007 VanDerWaalsContact C-N 3.32Å; I1005-W1007 PolarHBondContact O-N 3.47Å; I1005-N1008 CarbonylContact O-C 3.53Å; I1005-N1008 PolarHBondContact O-N 3.13Å; I1005-N1008 VanDerWaalsContact O-N 3.14Å; I1005-K1009 WeakPolarHBondContact O-CG 3.34Å; I1005-K1009 PolarHBondContact O-N 3.36Å; I1005-L1012 HydrophobicContact CG2-CD1 3.86Å
1006	K	86.8	Confident	82.6	Confident	124 Å²	124	72.6 Å²	72.6	54%	0.539	36%	0.355	S	S	.	.	H	α-helix	trans	-58.7	-42.8	-179.8	-178.5	-177	176	-175.3	0	111.9	N1002 W1003 I1004 N1008	N1002-K1006 VanDerWaalsContact O-CB 3.26Å; N1002-K1006 WeakPolarHBondContact O-CB 3.5Å; N1002-K1006 PolarHBondContact O-N 2.92Å; W1003-K1006 HydrophobicContact CE3-CD 4.29Å; W1003-K1006 HydrophobicContact CZ3-CD 4.34Å; W1003-K1006 WeakPolarHBondContact O-CB 2.96Å; W1003-K1006 PolarHBondContact O-N 3.49Å; W1003-K1006 VanDerWaalsContact O-N 3.08Å; I1004-K1006 PolarHBondContact O-N 3.27Å; K1006-N1008 VanDerWaalsContact C-N 3.31Å; K1006-N1008 PolarHBondContact O-N 3.2Å
1007	W	86.2	Confident	81.5	Confident	197 Å²	197	70.6 Å²	70.6	75%	0.746	34%	0.344	S	S	*	.	H	α-helix	trans	-72.9	-21	179.6	-71.8	106.7	0	0	0	113.3	W1003 I1004 I1005	W1003-W1007 AromaticContact CE3-NE1 3.51Å; W1003-W1007 PolarHBondContact O-N 3.4Å; I1004-W1007 PolarHBondContact O-N 3.44Å; I1005-W1007 VanDerWaalsContact C-N 3.32Å; I1005-W1007 PolarHBondContact O-N 3.47Å
1008	N	86.7	Confident	80.5	Confident	11 Å²	11	74.6 Å²	74.6	6%	0.059	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	22.2	-174.1	-66.7	-78.8	0	0	0	114.4	N680 A683 F846 I1004 I1005 K1006 Q1010 I1011 L1012	N680-N1008 PolarHBondContact ND2-OD1 3.4Å; A683-N1008 WeakPolarHBondContact CB-ND2 3.35Å; F846-N1008 HydrophobicContact CE2-CB 3.89Å; F846-N1008 HydrophobicContact CZ-CB 3.58Å; I1004-N1008 WeakPolarHBondContact O-CB 3.48Å; I1004-N1008 PolarHBondContact O-N 3.32Å; I1004-N1008 VanDerWaalsContact O-N 3.16Å; I1004-N1008 PolarHBondContact O-ND2 2.88Å; I1005-N1008 CarbonylContact O-C 3.53Å; I1005-N1008 PolarHBondContact O-N 3.13Å; I1005-N1008 VanDerWaalsContact O-N 3.14Å; K1006-N1008 VanDerWaalsContact C-N 3.31Å; K1006-N1008 PolarHBondContact O-N 3.2Å; N1008-Q1010 PolarHBondContact O-N 3.07Å; N1008-Q1010 VanDerWaalsContact O-N 3.08Å; N1008-I1011 HydrophobicContact CB-CD1 4.22Å; N1008-I1011 WeakPolarHBondContact O-CB 3.16Å; N1008-I1011 PolarHBondContact O-N 3.16Å; N1008-I1011 WeakPolarHBondContact OD1-CD1 3.4Å; N1008-L1012 PolarHBondContact O-N 3.09Å
1009	K	83.1	Confident	79.5	Confident	117 Å²	117	76.9 Å²	76.9	51%	0.509	37%	0.374	S	S	.	.	H	α-helix	trans	-54.4	-30.5	-178.4	-77.2	-172.8	177.5	-174.8	0	114.9	I1005	I1005-K1009 WeakPolarHBondContact O-CG 3.34Å; I1005-K1009 PolarHBondContact O-N 3.36Å
1010	Q	79.9	Confident	78.5	Confident	169 Å²	169	80.1 Å²	80.1	79%	0.79	38%	0.384	S	S	*	.	H	α-helix	trans	-69.6	-43.2	178.2	-70.5	-177.3	-8	0	0	111.4	N1008 L1012 K1013 T1014	N1008-Q1010 PolarHBondContact O-N 3.07Å; N1008-Q1010 VanDerWaalsContact O-N 3.08Å; Q1010-L1012 VanDerWaalsContact C-N 3.28Å; Q1010-L1012 PolarHBondContact O-N 2.88Å; Q1010-K1013 PolarHBondContact O-N 2.93Å; Q1010-K1013 VanDerWaalsContact O-N 3.11Å; Q1010-T1014 PolarHBondContact O-N 3.38Å; Q1010-T1014 PolarHBondContact O-OG1 3.31Å
1011	I	77.1	Confident	77.4	Confident	27 Å²	27	84.2 Å²	84.2	14%	0.138	40%	0.397	C	S	.	.	H	α-helix	trans	-59.2	-41.9	178.3	-58.5	-179.7	0	0	0	110.8	F675 N680 N1008 K1013 T1014 F1015	F675-I1011 HydrophobicContact CD1-CG2 4.32Å; F675-I1011 HydrophobicContact CE1-CG2 3.67Å; N680-I1011 HydrophobicContact CB-CD1 3.56Å; N1008-I1011 HydrophobicContact CB-CD1 4.22Å; N1008-I1011 WeakPolarHBondContact O-CB 3.16Å; N1008-I1011 PolarHBondContact O-N 3.16Å; N1008-I1011 WeakPolarHBondContact OD1-CD1 3.4Å; I1011-K1013 PolarHBondContact O-N 3.32Å; I1011-T1014 PolarHBondContact O-N 3.39Å; I1011-T1014 VanDerWaalsContact O-N 3.15Å; I1011-F1015 PolarHBondContact O-N 3.48Å
1012	L	75.5	Confident	76.5	Confident	19 Å²	19	86 Å²	86	10%	0.099	41%	0.406	C	S	.	.	H	α-helix	trans	-63.5	-26.2	178.9	-67.4	174.5	0	0	0	113.9	F846 F847 N849 I1005 N1008 Q1010	F846-L1012 HydrophobicContact CD1-CD2 3.68Å; F846-L1012 HydrophobicContact CE1-CD2 3.35Å; F846-L1012 HydrophobicContact CE1-CG 4.01Å; F846-L1012 HydrophobicContact CE2-CD2 4.45Å; F846-L1012 HydrophobicContact CG-CD2 4.36Å; F846-L1012 HydrophobicContact CZ-CD1 4.34Å; F846-L1012 HydrophobicContact CZ-CD2 3.79Å; F846-L1012 HydrophobicContact CZ-CG 3.96Å; F846-L1012 VanDerWaalsContact O-CD2 3.25Å; F846-L1012 WeakPolarHBondContact O-CD2 3.46Å; F847-L1012 HydrophobicContact CD1-CD2 3.84Å; F847-L1012 HydrophobicContact CE1-CD2 4.26Å; F847-L1012 HydrophobicContact CG-CD2 4.3Å; N849-L1012 HydrophobicContact CB-CD1 4.11Å; I1005-L1012 HydrophobicContact CG2-CD1 3.86Å; N1008-L1012 PolarHBondContact O-N 3.09Å; Q1010-L1012 VanDerWaalsContact C-N 3.28Å; Q1010-L1012 PolarHBondContact O-N 2.88Å
1013	K	72.8	Confident	75.9	Confident	167 Å²	167	87.2 Å²	87.2	73%	0.726	41%	0.411	S	S	*	.	H	α-helix	trans	-81.1	-26.8	176.5	-69.9	179.3	179	-174.3	0	112.5	Q1010 I1011	Q1010-K1013 PolarHBondContact O-N 2.93Å; Q1010-K1013 VanDerWaalsContact O-N 3.11Å; I1011-K1013 PolarHBondContact O-N 3.32Å
1014	T	72.1	Confident	75.4	Confident	104 Å²	104	87.8 Å²	87.8	64%	0.638	42%	0.417	S	S	*	.	H	α-helix	trans	-78.3	-37.2	-174.3	-51.8	0	0	0	0	112.2	F675 Q1010 I1011 S1016	F675-T1014 HydrophobicContact CZ-CG2 4.29Å; Q1010-T1014 PolarHBondContact O-N 3.38Å; Q1010-T1014 PolarHBondContact O-OG1 3.31Å; I1011-T1014 PolarHBondContact O-N 3.39Å; I1011-T1014 VanDerWaalsContact O-N 3.15Å; T1014-S1016 PolarHBondContact O-N 3.09Å
1015	F	69.5	Low	74.9	Confident	41 Å²	41	87.6 Å²	87.6	18%	0.18	42%	0.416	C	S	.	.			trans	-95.7	93.8	-177.8	-163	-89.1	0	0	0	111	Q671 Q672 F675 F847 I1011 I1017	Q671-F1015 HydrophobicContact CB-CZ 4.39Å; Q672-F1015 HydrophobicContact CB-CE1 4.38Å; Q672-F1015 HydrophobicContact CG-CD1 3.84Å; Q672-F1015 HydrophobicContact CG-CE1 3.27Å; Q672-F1015 HydrophobicContact CG-CZ 3.95Å; F675-F1015 HydrophobicContact CB-CD2 4.02Å; F675-F1015 HydrophobicContact CB-CE2 3.93Å; F675-F1015 HydrophobicContact CD1-CB 3.92Å; F675-F1015 AromaticContact CD1-CD2 3.66Å; F675-F1015 HydrophobicContact CD1-CD2 3.66Å; F675-F1015 HydrophobicContact CD1-CE2 4.43Å; F675-F1015 AromaticContact CD1-CG 3.99Å; F675-F1015 HydrophobicContact CD1-CG 3.99Å; F675-F1015 AromaticContact CD2-CD2 3.8Å; F675-F1015 HydrophobicContact CD2-CD2 3.8Å; F675-F1015 HydrophobicContact CD2-CE2 4.23Å; F675-F1015 HydrophobicContact CE1-CB 3.65Å; F675-F1015 HydrophobicContact CE1-CD2 4.01Å; F675-F1015 HydrophobicContact CE1-CG 4.19Å; F675-F1015 HydrophobicContact CE2-CD2 4.13Å; F675-F1015 AromaticContact CG-CD2 3.54Å; F675-F1015 HydrophobicContact CG-CD2 3.54Å; F675-F1015 AromaticContact CG-CE2 3.95Å; F675-F1015 HydrophobicContact CG-CE2 3.95Å; F675-F1015 HydrophobicContact CG-CG 4.32Å; F675-F1015 HydrophobicContact CZ-CB 4.16Å; F675-F1015 HydrophobicContact CZ-CD2 4.22Å; F847-F1015 HydrophobicContact CD1-CD1 4.45Å; F847-F1015 HydrophobicContact CE1-CB 3.93Å; F847-F1015 HydrophobicContact CE1-CD1 4.17Å; F847-F1015 HydrophobicContact CE1-CG 4.26Å; I1011-F1015 PolarHBondContact O-N 3.48Å; F1015-I1017 HydrophobicContact CD1-CD1 4.31Å; F1015-I1017 HydrophobicContact CD1-CG1 4.18Å; F1015-I1017 HydrophobicContact CE1-CD1 3.27Å; F1015-I1017 HydrophobicContact CE1-CG1 3.58Å; F1015-I1017 HydrophobicContact CE2-CD1 4.28Å; F1015-I1017 HydrophobicContact CZ-CD1 3.27Å; F1015-I1017 HydrophobicContact CZ-CG1 3.93Å
1016	S	64.9	Low	74.5	Confident	108 Å²	108	90.4 Å²	90.4	76%	0.755	43%	0.431	S	S	*	.			trans	-117.2	119.9	172.6	36.6	0	0	0	0	109.4	T1014	T1014-S1016 PolarHBondContact O-N 3.09Å
1017	I	65.7	Low	74	Confident	64 Å²	64	86.4 Å²	86.4	33%	0.328	42%	0.415	S	S	.	.			trans	-114.9	127.6	175.1	-64.8	-171.8	0	0	0	108.4	L668 F1015 Y1019 L1022	L668-I1017 HydrophobicContact CD1-CG2 4.29Å; L668-I1017 HydrophobicContact CD2-CD1 3.59Å; L668-I1017 HydrophobicContact CD2-CG2 3.86Å; F1015-I1017 HydrophobicContact CD1-CD1 4.31Å; F1015-I1017 HydrophobicContact CD1-CG1 4.18Å; F1015-I1017 HydrophobicContact CE1-CD1 3.27Å; F1015-I1017 HydrophobicContact CE1-CG1 3.58Å; F1015-I1017 HydrophobicContact CE2-CD1 4.28Å; F1015-I1017 HydrophobicContact CZ-CD1 3.27Å; F1015-I1017 HydrophobicContact CZ-CG1 3.93Å; I1017-Y1019 PolarHBondContact O-N 3.45Å; I1017-L1022 HydrophobicContact CG2-CD1 3.36Å
1018	D	66.9	Low	73.5	Confident	86 Å²	86	83.6 Å²	83.6	46%	0.46	41%	0.408	S	S	.	.			trans	-80.6	100.2	172.5	-168.8	-36.1	0	0	0	109.9	E1020 H1021	D1018-E1020 VanDerWaalsContact C-N 3.35Å; D1018-E1020 PolarHBondContact O-N 2.91Å; D1018-E1020 PolarHBondContact OD1-N 3.49Å; D1018-H1021 IonicContact OD1-CE1 3.86Å; D1018-H1021 IonicContact OD1-CG 3.67Å; D1018-H1021 PolarHBondContact OD1-N 2.85Å; D1018-H1021 IonicContact OD1-ND1 3.95Å; D1018-H1021 PolarHBondContact OD1-ND1 3.46Å; D1018-H1021 IonicContact OD2-CE1 2.88Å; D1018-H1021 PolarHBondContact OD2-CE1 3.42Å; D1018-H1021 IonicContact OD2-CG 2.81Å; D1018-H1021 IonicContact OD2-ND1 3.67Å; D1018-H1021 PolarHBondContact OD2-ND1 3.14Å
1019	Y	66	Low	73.3	Confident	56 Å²	56	84.2 Å²	84.2	22%	0.22	41%	0.411	C	S	.	.	H	α-helix	trans	-66	-34.1	-176.1	-174.4	-99.3	0	0	0	113.2	K661 L664 E665 L668 I1017 H1021 L1022 Q1023	K661-Y1019 HydrophobicContact CG-CE1 4.4Å; K661-Y1019 WeakPolarHBondContact CG-OH 3.07Å; K661-Y1019 PolarHBondContact O-OH 3.41Å; L664-Y1019 HydrophobicContact CD2-CD2 4.4Å; L664-Y1019 HydrophobicContact CD2-CE2 3.77Å; L664-Y1019 HydrophobicContact CG-CE2 3.94Å; E665-Y1019 HydrophobicContact CB-CE2 4.41Å; E665-Y1019 HydrophobicContact CG-CE2 3.43Å; E665-Y1019 VanDerWaalsContact CG-CE2 3.43Å; E665-Y1019 VanDerWaalsContact CG-OH 3.24Å; E665-Y1019 WeakPolarHBondContact CG-OH 3.25Å; E665-Y1019 PolarHBondContact OE1-OH 2.95Å; L668-Y1019 HydrophobicContact CD1-CD2 3.52Å; L668-Y1019 HydrophobicContact CD1-CE2 3.87Å; I1017-Y1019 PolarHBondContact O-N 3.45Å; Y1019-H1021 VanDerWaalsContact C-N 3.34Å; Y1019-H1021 PolarHBondContact O-N 3.21Å; Y1019-L1022 PolarHBondContact O-N 2.93Å; Y1019-Q1023 HydrophobicContact CD1-CG 4.39Å; Y1019-Q1023 HydrophobicContact CE1-CG 3.94Å; Y1019-Q1023 PolarHBondContact O-N 3.49Å
1020	E	66.6	Low	73.6	Confident	142 Å²	142	78.7 Å²	78.7	66%	0.664	39%	0.387	S	S	*	.	H	α-helix	trans	-66.6	-39.2	-176.3	-70.7	-169.8	166.1	0	0	111.4	D1018 L1022 Q1023	D1018-E1020 VanDerWaalsContact C-N 3.35Å; D1018-E1020 PolarHBondContact O-N 2.91Å; D1018-E1020 PolarHBondContact OD1-N 3.49Å; E1020-L1022 VanDerWaalsContact C-N 3.26Å; E1020-L1022 PolarHBondContact O-N 3.38Å; E1020-Q1023 PolarHBondContact O-N 2.93Å
1021	H	67.3	Low	74.1	Confident	135 Å²	135	70.6 Å²	70.6	63%	0.625	35%	0.349	S	S	*	.	H	α-helix	trans	-66.8	-28.4	178.5	-72.3	76.6	0	0	0	112.7	D1018 Y1019 K1024	D1018-H1021 IonicContact OD1-CE1 3.86Å; D1018-H1021 IonicContact OD1-CG 3.67Å; D1018-H1021 PolarHBondContact OD1-N 2.85Å; D1018-H1021 IonicContact OD1-ND1 3.95Å; D1018-H1021 PolarHBondContact OD1-ND1 3.46Å; D1018-H1021 IonicContact OD2-CE1 2.88Å; D1018-H1021 PolarHBondContact OD2-CE1 3.42Å; D1018-H1021 IonicContact OD2-CG 2.81Å; D1018-H1021 IonicContact OD2-ND1 3.67Å; D1018-H1021 PolarHBondContact OD2-ND1 3.14Å; Y1019-H1021 VanDerWaalsContact C-N 3.34Å; Y1019-H1021 PolarHBondContact O-N 3.21Å; H1021-K1024 VanDerWaalsContact O-O 3.12Å
1022	L	68.4	Low	74.7	Confident	37 Å²	37	69.5 Å²	69.5	19%	0.194	34%	0.344	C	S	.	.	H	α-helix	trans	-84	-15	-177.2	-68.6	174.7	0	0	0	114.4	R659 L664 L668 I1017 Y1019 E1020 K1024	R659-L1022 VanDerWaalsContact CD-O 3.24Å; R659-L1022 WeakPolarHBondContact CD-O 3.44Å; L664-L1022 HydrophobicContact CD1-CB 3.86Å; L664-L1022 HydrophobicContact CD1-CD1 4.41Å; L664-L1022 HydrophobicContact CD2-CB 3.79Å; L664-L1022 WeakPolarHBondContact CD2-O 3.35Å; L664-L1022 HydrophobicContact CG-CB 4.37Å; L668-L1022 HydrophobicContact CD1-CD1 3.95Å; L668-L1022 HydrophobicContact CD2-CD1 3.72Å; L668-L1022 HydrophobicContact CG-CD1 4.34Å; I1017-L1022 HydrophobicContact CG2-CD1 3.36Å; Y1019-L1022 PolarHBondContact O-N 2.93Å; E1020-L1022 VanDerWaalsContact C-N 3.26Å; E1020-L1022 PolarHBondContact O-N 3.38Å; L1022-K1024 CarbonylContact C-O 3.44Å; L1022-K1024 PolarHBondContact O-N 2.93Å
1023	Q	74	Confident	75.5	Confident	71 Å²	71	68.8 Å²	68.8	33%	0.332	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-28.4	176.2	-71.7	179.7	24	0	0	112.3	R659 L664 Y1019 E1020	R659-Q1023 PolarHBondContact N-O 2.96Å; L664-Q1023 HydrophobicContact CD2-CG 4.13Å; Y1019-Q1023 HydrophobicContact CD1-CG 4.39Å; Y1019-Q1023 HydrophobicContact CE1-CG 3.94Å; Y1019-Q1023 PolarHBondContact O-N 3.49Å; E1020-Q1023 PolarHBondContact O-N 2.93Å
1024	K	79	Confident	76.3	Confident	144 Å²	144	61.7 Å²	61.7	63%	0.626	31%	0.311	S	S	*	.	B	Isolated β-bridge	trans	-98.1	143.1	169.9	-66.6	179.4	-177.4	174.6	0	108.3	F657 H1021 L1022 D1026	F657-K1024 CarbonylContact O-C 3.56Å; F657-K1024 WeakPolarHBondContact O-CA 3.39Å; H1021-K1024 VanDerWaalsContact O-O 3.12Å; L1022-K1024 CarbonylContact C-O 3.44Å; L1022-K1024 PolarHBondContact O-N 2.93Å; K1024-D1026 PolarHBondContact O-N 3.16Å; K1024-D1026 VanDerWaalsContact O-N 3.1Å
1025	V	78.1	Confident	77.2	Confident	10 Å²	10	56.8 Å²	56.8	6%	0.061	28%	0.281	C	S	.	.			trans	-66.1	114.1	173.6	-172.4	0	0	0	0	108.3	D496 F657 R659 L1030	D496-V1025 HydrophobicContact CB-CG1 4.04Å; D496-V1025 HydrophobicContact CB-CG2 4.11Å; D496-V1025 VanDerWaalsContact OD2-CG2 3.27Å; D496-V1025 WeakPolarHBondContact OD2-CG2 3.44Å; F657-V1025 HydrophobicContact CD1-CB 4.33Å; F657-V1025 WeakPolarHBondContact O-CG2 3.24Å; F657-V1025 PolarHBondContact O-N 3.28Å; R659-V1025 HydrophobicContact CG-CG2 3.81Å; V1025-L1030 HydrophobicContact CB-CD2 4.36Å; V1025-L1030 HydrophobicContact CG1-CD2 3.5Å; V1025-L1030 HydrophobicContact CG1-CG 3.91Å
1026	D	78.9	Confident	78.1	Confident	69 Å²	69	57.1 Å²	57.1	37%	0.369	28%	0.283	S	S	.	.			trans	-61.2	136.6	169.6	-170.8	-27.2	0	0	0	108.3	K1024 K1028 N1029	K1024-D1026 PolarHBondContact O-N 3.16Å; K1024-D1026 VanDerWaalsContact O-N 3.1Å; D1026-K1028 PolarHBondContact O-N 3.02Å; D1026-K1028 VanDerWaalsContact O-N 3.15Å; D1026-K1028 PolarHBondContact OD1-N 3.31Å; D1026-N1029 WeakPolarHBondContact O-CB 3.27Å; D1026-N1029 PolarHBondContact O-N 3.09Å
1027	E	75.8	Confident	79	Confident	41 Å²	41	52.4 Å²	52.4	19%	0.192	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-57.8	-28.4	178.1	-61.2	164.9	-156.5	0	0	112.2	T643 S647 N1029 L1030	T643-E1027 WeakPolarHBondContact CA-OE2 3.3Å; T643-E1027 WeakPolarHBondContact CG2-OE2 3.41Å; S647-E1027 WeakPolarHBondContact CA-OE1 3.3Å; S647-E1027 WeakPolarHBondContact CB-OE1 3.33Å; S647-E1027 VanDerWaalsContact N-CD 3.34Å; S647-E1027 PolarHBondContact N-OE1 3.27Å; S647-E1027 PolarHBondContact OG-OE1 3.46Å; S647-E1027 PolarHBondContact OG-OE2 3.23Å; E1027-N1029 PolarHBondContact O-N 2.76Å; E1027-L1030 PolarHBondContact O-N 2.96Å
1028	K	75.8	Confident	79.5	Confident	138 Å²	138	53 Å²	53	60%	0.6	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-66.2	-21.8	173.4	-66.2	176.3	-176.8	170.6	0	113.4	T566 D1026	T566-K1028 WeakPolarHBondContact CB-O 3.31Å; D1026-K1028 PolarHBondContact O-N 3.02Å; D1026-K1028 VanDerWaalsContact O-N 3.15Å; D1026-K1028 PolarHBondContact OD1-N 3.31Å
1029	N	83.2	Confident	79.6	Confident	23 Å²	23	52.5 Å²	52.5	12%	0.123	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-98.7	-5.7	-175.8	-59.7	8.3	0	0	0	112	S497 D499 T566 D1026 E1027	S497-N1029 PolarHBondContact N-O 3.46Å; S497-N1029 PolarHBondContact OG-O 2.85Å; D499-N1029 PolarHBondContact OD1-ND2 2.92Å; D499-N1029 PolarHBondContact OD2-ND2 3.08Å; T566-N1029 WeakPolarHBondContact CG2-O 3.22Å; D1026-N1029 WeakPolarHBondContact O-CB 3.27Å; D1026-N1029 PolarHBondContact O-N 3.09Å; E1027-N1029 PolarHBondContact O-N 2.76Å
1030	L	88.9	Confident	79.4	Confident	1 Å²	1	52 Å²	52	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	137.1	174.9	-66.3	171.5	0	0	0	110.1	K455 V494 L495 K641 Y646 F657 V1025 E1027	K455-L1030 HydrophobicContact CG-CD2 4.03Å; V494-L1030 HydrophobicContact CG1-CB 4.04Å; V494-L1030 HydrophobicContact CG1-CD1 4.25Å; V494-L1030 HydrophobicContact CG1-CD2 4.03Å; V494-L1030 HydrophobicContact CG1-CG 4.35Å; L495-L1030 CarbonylContact O-C 3.55Å; L495-L1030 VanDerWaalsContact O-CA 3.3Å; L495-L1030 WeakPolarHBondContact O-CA 3.4Å; K641-L1030 PolarHBondContact NZ-O 2.95Å; Y646-L1030 HydrophobicContact CD1-CD1 3.87Å; Y646-L1030 HydrophobicContact CG-CD1 4.09Å; F657-L1030 HydrophobicContact CD1-CD1 4.37Å; F657-L1030 HydrophobicContact CD1-CD2 4.29Å; F657-L1030 HydrophobicContact CE1-CD1 3.79Å; F657-L1030 HydrophobicContact CE1-CD2 4.01Å; V1025-L1030 HydrophobicContact CB-CD2 4.36Å; V1025-L1030 HydrophobicContact CG1-CD2 3.5Å; V1025-L1030 HydrophobicContact CG1-CG 3.91Å; E1027-L1030 PolarHBondContact O-N 2.96Å
1031	V	89.9	Confident	78.6	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	125.6	166.8	-178.1	0	0	0	0	107.9	V494 L495 F512 V564 T566 F1033	V494-V1031 CarbonylContact C-O 3.52Å; V494-V1031 WeakPolarHBondContact CA-O 3.34Å; L495-V1031 PolarHBondContact N-O 2.62Å; L495-V1031 PolarHBondContact O-N 3.29Å; F512-V1031 HydrophobicContact CD2-CB 3.92Å; F512-V1031 HydrophobicContact CD2-CG1 4.01Å; F512-V1031 HydrophobicContact CD2-CG2 3.83Å; F512-V1031 HydrophobicContact CE2-CB 3.97Å; F512-V1031 HydrophobicContact CE2-CG2 3.8Å; V564-V1031 HydrophobicContact CB-CG1 4.05Å; V564-V1031 HydrophobicContact CG2-CG1 3.79Å; T566-V1031 HydrophobicContact CG2-CG2 3.56Å; V1031-F1033 HydrophobicContact CG1-CD1 4.33Å
1032	A	90.5	Very high	77.3	Confident	4 Å²	4	48.1 Å²	48.1	3%	0.033	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	124.7	-176.5	0	0	0	0	0	110	I493 V494 Q569 T570 Y646	I493-A1032 WeakPolarHBondContact O-CA 2.91Å; V494-A1032 HydrophobicContact CG1-CB 4.38Å; V494-A1032 HydrophobicContact CG2-CB 4.15Å; Q569-A1032 WeakPolarHBondContact CA-O 3.23Å; T570-A1032 PolarHBondContact N-O 3.3Å; Y646-A1032 HydrophobicContact CE1-CB 3.7Å; Y646-A1032 WeakPolarHBondContact OH-CB 3.15Å
1033	F	91.7	Very high	75.7	Confident	3 Å²	3	53.9 Å²	53.9	1%	0.013	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	156	176.8	65.4	-87.4	0	0	0	112.2	L390 I493 L495 L514 V564 T570 I572 V1031 V1035	L390-F1033 HydrophobicContact CD1-CE1 4.36Å; L390-F1033 HydrophobicContact CD1-CZ 4.17Å; I493-F1033 HydrophobicContact CB-CE1 4Å; I493-F1033 HydrophobicContact CB-CE2 4.04Å; I493-F1033 HydrophobicContact CB-CZ 3.73Å; I493-F1033 HydrophobicContact CD1-CE2 3.94Å; I493-F1033 HydrophobicContact CD1-CZ 3.79Å; I493-F1033 HydrophobicContact CG1-CE2 4.44Å; I493-F1033 HydrophobicContact CG1-CZ 4.32Å; I493-F1033 HydrophobicContact CG2-CE1 3.76Å; I493-F1033 HydrophobicContact CG2-CZ 3.75Å; I493-F1033 PolarHBondContact N-O 3.27Å; I493-F1033 PolarHBondContact O-N 2.98Å; L495-F1033 HydrophobicContact CD1-CE1 3.84Å; L495-F1033 HydrophobicContact CD1-CZ 4.5Å; L514-F1033 HydrophobicContact CD1-CE2 4.12Å; L514-F1033 HydrophobicContact CD1-CZ 4.21Å; L514-F1033 HydrophobicContact CD2-CD2 4.31Å; L514-F1033 HydrophobicContact CD2-CE2 4.02Å; V564-F1033 HydrophobicContact CB-CD1 4.46Å; V564-F1033 HydrophobicContact CG1-CB 4.24Å; V564-F1033 HydrophobicContact CG1-CG 4.42Å; V564-F1033 HydrophobicContact CG2-CD1 3.9Å; V564-F1033 HydrophobicContact CG2-CE1 4.17Å; T570-F1033 CarbonylContact O-C 3.54Å; T570-F1033 WeakPolarHBondContact O-CA 3.44Å; T570-F1033 VanDerWaalsContact O-CB 3.31Å; T570-F1033 WeakPolarHBondContact O-CB 3.14Å; I572-F1033 HydrophobicContact CD1-CD2 4.38Å; V1031-F1033 HydrophobicContact CG1-CD1 4.33Å; F1033-V1035 HydrophobicContact CD2-CG2 3.92Å; F1033-V1035 HydrophobicContact CE2-CG2 4.04Å
1034	T	90.1	Very high	73.7	Confident	19 Å²	19	54.4 Å²	54.4	12%	0.117	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	133.5	177.9	-62.7	0	0	0	0	108.4	E490 V491 R492 T570 L571 I572 Q1036	E490-T1034 HydrophobicContact CG-CG2 3.69Å; E490-T1034 WeakPolarHBondContact OE1-CG2 3.48Å; V491-T1034 CarbonylContact O-C 3.58Å; V491-T1034 VanDerWaalsContact O-CA 3.31Å; V491-T1034 WeakPolarHBondContact O-CA 3.26Å; R492-T1034 HydrophobicContact CG-CG2 3.98Å; T570-T1034 PolarHBondContact O-N 2.66Å; L571-T1034 CarbonylContact C-O 3.47Å; L571-T1034 WeakPolarHBondContact CA-O 3.27Å; L571-T1034 HydrophobicContact CD1-CG2 3.72Å; I572-T1034 PolarHBondContact N-O 3.19Å; T1034-Q1036 HydrophobicContact CG2-CG 4.36Å
1035	V	90.6	Very high	71.6	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	117.3	176.6	-167.1	0	0	0	0	108.1	E490 V491 L514 I516 I572 V574 F1033 F1037	E490-V1035 CarbonylContact C-O 3.58Å; E490-V1035 VanDerWaalsContact CA-O 3.26Å; E490-V1035 WeakPolarHBondContact CA-O 3.46Å; V491-V1035 PolarHBondContact N-O 2.88Å; V491-V1035 PolarHBondContact O-N 2.79Å; L514-V1035 HydrophobicContact CD2-CG2 4.22Å; I516-V1035 HydrophobicContact CD1-CG1 3.96Å; I572-V1035 HydrophobicContact CB-CG1 4.4Å; I572-V1035 HydrophobicContact CB-CG2 4.46Å; I572-V1035 HydrophobicContact CD1-CG2 4.33Å; I572-V1035 HydrophobicContact CG2-CG1 4.46Å; I572-V1035 CarbonylContact O-C 3.57Å; I572-V1035 WeakPolarHBondContact O-CA 3.34Å; V574-V1035 HydrophobicContact CG2-CG1 3.43Å; V574-V1035 VanDerWaalsContact CG2-CG1 3.43Å; F1033-V1035 HydrophobicContact CD2-CG2 3.92Å; F1033-V1035 HydrophobicContact CE2-CG2 4.04Å; V1035-F1037 HydrophobicContact CB-CE2 4.05Å; V1035-F1037 HydrophobicContact CB-CZ 3.85Å; V1035-F1037 HydrophobicContact CG1-CE1 3.69Å; V1035-F1037 HydrophobicContact CG1-CE2 3.84Å; V1035-F1037 HydrophobicContact CG1-CZ 3.27Å
1036	Q	87.3	Confident	69.5	Low	49 Å²	49	57.1 Å²	57.1	23%	0.229	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	132.4	175.9	-74.5	179.3	-18.3	0	0	109.8	H489 E490 L571 I572 V574 T1034	H489-Q1036 CarbonylContact O-C 3.6Å; H489-Q1036 WeakPolarHBondContact O-CA 3.5Å; E490-Q1036 HydrophobicContact CG-CG 4.21Å; L571-Q1036 HydrophobicContact CD1-CG 3.94Å; I572-Q1036 PolarHBondContact O-N 3.31Å; V574-Q1036 PolarHBondContact N-O 2.99Å; T1034-Q1036 HydrophobicContact CG2-CG 4.36Å
1037	F	83.6	Confident	67.3	Low	9 Å²	9	58.9 Å²	58.9	4%	0.039	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	124.4	-178.9	-56.4	-82.4	0	0	0	110.1	F386 I388 L484 V488 H489 V491 V574 L576 V1035	F386-F1037 HydrophobicContact CD2-CE1 4.2Å; F386-F1037 HydrophobicContact CE1-CD1 4.46Å; F386-F1037 AromaticContact CE2-CD1 3.76Å; F386-F1037 HydrophobicContact CE2-CD1 3.76Å; F386-F1037 AromaticContact CE2-CE1 3.2Å; F386-F1037 HydrophobicContact CE2-CE1 3.2Å; F386-F1037 HydrophobicContact CE2-CE2 4.26Å; F386-F1037 HydrophobicContact CE2-CG 4.48Å; F386-F1037 AromaticContact CE2-CZ 3.52Å; F386-F1037 HydrophobicContact CE2-CZ 3.52Å; F386-F1037 AromaticContact CZ-CD1 3.59Å; F386-F1037 HydrophobicContact CZ-CD1 3.59Å; F386-F1037 HydrophobicContact CZ-CD2 4.13Å; F386-F1037 AromaticContact CZ-CE1 3.5Å; F386-F1037 HydrophobicContact CZ-CE1 3.5Å; F386-F1037 VanDerWaalsContact CZ-CE1 3.5Å; F386-F1037 HydrophobicContact CZ-CE2 4.06Å; F386-F1037 AromaticContact CZ-CG 3.93Å; F386-F1037 HydrophobicContact CZ-CG 3.93Å; F386-F1037 AromaticContact CZ-CZ 3.76Å; F386-F1037 HydrophobicContact CZ-CZ 3.76Å; I388-F1037 HydrophobicContact CD1-CZ 3.9Å; L484-F1037 HydrophobicContact CD1-CE2 4.24Å; L484-F1037 HydrophobicContact CD1-CZ 4.09Å; V488-F1037 HydrophobicContact CG1-CD2 4.27Å; V488-F1037 HydrophobicContact CG1-CE2 4.4Å; V488-F1037 WeakPolarHBondContact O-CB 3.26Å; V488-F1037 WeakPolarHBondContact O-CD2 3.37Å; H489-F1037 PolarHBondContact O-N 3.03Å; V491-F1037 HydrophobicContact CB-CE2 4.33Å; V491-F1037 HydrophobicContact CG2-CE2 3.95Å; V574-F1037 HydrophobicContact CB-CD1 3.71Å; V574-F1037 HydrophobicContact CB-CE1 3.95Å; V574-F1037 HydrophobicContact CG1-CD1 3.88Å; V574-F1037 HydrophobicContact CG1-CE1 4.03Å; V574-F1037 HydrophobicContact CG2-CD1 4.24Å; V574-F1037 HydrophobicContact CG2-CE1 4Å; V574-F1037 WeakPolarHBondContact O-CA 3.28Å; L576-F1037 HydrophobicContact CD1-CB 3.97Å; L576-F1037 HydrophobicContact CD1-CD1 4.25Å; L576-F1037 HydrophobicContact CD1-CG 4.42Å; L576-F1037 HydrophobicContact CD2-CD1 4.25Å; L576-F1037 HydrophobicContact CG-CB 4.37Å; L576-F1037 HydrophobicContact CG-CD1 4.32Å; V1035-F1037 HydrophobicContact CB-CE2 4.05Å; V1035-F1037 HydrophobicContact CB-CZ 3.85Å; V1035-F1037 HydrophobicContact CG1-CE1 3.69Å; V1035-F1037 HydrophobicContact CG1-CE2 3.84Å; V1035-F1037 HydrophobicContact CG1-CZ 3.27Å
1038	E	77.9	Confident	65.3	Low	77 Å²	77	65.4 Å²	65.4	36%	0.36	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	121.8	176.8	-66.4	175.3	-167.7	0	0	108.6	V574 A575 L576 I1040	V574-E1038 PolarHBondContact O-N 3.29Å; A575-E1038 WeakPolarHBondContact CA-O 3.27Å; L576-E1038 PolarHBondContact N-O 3.32Å; E1038-I1040 PolarHBondContact O-N 3.3Å
1039	I	68	Low	63.2	Low	74 Å²	74	65.3 Å²	65.3	38%	0.379	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	119.3	174.1	-59.8	170.3	0	0	0	107.3	L576 W629 G1041 I1044	L576-I1039 HydrophobicContact CB-CG1 4.44Å; L576-I1039 WeakPolarHBondContact O-CA 3.39Å; W629-I1039 HydrophobicContact CH2-CG2 4.5Å; W629-I1039 HydrophobicContact CZ3-CG2 4.28Å; I1039-G1041 PolarHBondContact O-N 3.31Å; I1039-I1044 WeakPolarHBondContact O-CD1 3.45Å
1040	I	62	Low	60.7	Low	46 Å²	46	68 Å²	68	24%	0.236	37%	0.373	C	S	.	.			trans	-71.3	99.6	175.4	-60.3	178.3	0	0	0	108.1	A575 L576 E1038	A575-I1040 HydrophobicContact CB-CD1 3.58Å; A575-I1040 HydrophobicContact CB-CG1 3.94Å; L576-I1040 PolarHBondContact O-N 2.7Å; L576-I1040 VanDerWaalsContact O-N 3.08Å; E1038-I1040 PolarHBondContact O-N 3.3Å
1041	G	50.3	Low	58.1	Low	38 Å²	38	71.1 Å²	71.1	39%	0.392	39%	0.393	S	S	.	.			trans	-73	164	157	0	0	0	0	0	110.3	I1039 D1043 I1044	I1039-G1041 PolarHBondContact O-N 3.31Å; G1041-D1043 PolarHBondContact O-N 3.4Å; G1041-I1044 PolarHBondContact O-N 2.83Å
1042	N	40.3	Very low	55.5	Low	158 Å²	158	73.9 Å²	73.9	85%	0.845	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-17.2	-176.9	-83.8	-14	0	0	0	115.5
1043	D	32.9	Very low	53.1	Low	157 Å²	157	79.1 Å²	79.1	84%	0.84	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123	16.6	-172.8	-62.7	-43	0	0	0	115.3	G1041 S1045	G1041-D1043 PolarHBondContact O-N 3.4Å; D1043-S1045 PolarHBondContact O-N 3.34Å; D1043-S1045 VanDerWaalsContact O-N 3.09Å
1044	I	33.9	Very low	50.4	Low	82 Å²	82	86.8 Å²	86.8	42%	0.421	47%	0.467	S	S	.	.			trans	-81.4	96.1	170.3	-52.3	-172.6	0	0	0	108.7	I1039 G1041 M1046	I1039-I1044 WeakPolarHBondContact O-CD1 3.45Å; G1041-I1044 PolarHBondContact O-N 2.83Å; I1044-M1046 PolarHBondContact O-N 3.49Å
1045	S	33.7	Very low	47.9	Very low	93 Å²	93	91 Å²	91	65%	0.65	49%	0.489	S	S	*	.			trans	-54.2	112.1	160.8	61.9	0	0	0	0	107.1	D1043 T1047	D1043-S1045 PolarHBondContact O-N 3.34Å; D1043-S1045 VanDerWaalsContact O-N 3.09Å; S1045-T1047 VanDerWaalsContact C-N 3.29Å; S1045-T1047 PolarHBondContact O-N 3.01Å
1046	M	34.1	Very low	45.4	Very low	118 Å²	118	93.9 Å²	93.9	58%	0.581	50%	0.501	S	S	*	.			trans	-48.8	104.9	162.9	-88.3	170.4	69.7	0	0	105.4	R632 I1044 Q1048	R632-M1046 PolarHBondContact NH2-SD 3.01Å; R632-M1046 VanDerWaalsContact NH2-SD 3.38Å; I1044-M1046 PolarHBondContact O-N 3.49Å; M1046-Q1048 PolarHBondContact O-N 3.02Å
1047	T	33.1	Very low	43.5	Very low	107 Å²	107	95.8 Å²	95.8	66%	0.656	51%	0.513	S	S	*	.			trans	-60.8	103.8	172.2	30.2	0	0	0	0	104.2	S1045 L1049	S1045-T1047 VanDerWaalsContact C-N 3.29Å; S1045-T1047 PolarHBondContact O-N 3.01Å; T1047-L1049 PolarHBondContact O-N 2.98Å; T1047-L1049 VanDerWaalsContact O-N 3.11Å
1048	Q	32.7	Very low	42	Very low	177 Å²	177	97.7 Å²	97.7	83%	0.827	53%	0.526	S	S	*	.			trans	-44.4	120.2	-178.7	-171.1	174.8	16.1	0	0	107.3	M1046 T1050	M1046-Q1048 PolarHBondContact O-N 3.02Å; Q1048-T1050 PolarHBondContact O-N 3.36Å
1049	L	32.3	Very low	40.7	Very low	136 Å²	136	100.5 Å²	100.5	71%	0.712	54%	0.538	S	S	*	.			trans	-18.8	101.2	172	-77.3	139	0	0	0	110.4	T1047 P1051	T1047-L1049 PolarHBondContact O-N 2.98Å; T1047-L1049 VanDerWaalsContact O-N 3.11Å; L1049-P1051 WeakPolarHBondContact O-CD 3.37Å
1050	T	30.9	Very low	40.1	Very low	80 Å²	80	99.3 Å²	99.3	49%	0.491	54%	0.544	S	S	.	.			trans	-70.4	107.7	163.9	15.9	0	0	0	0	105.2	Q1048 M1052 K1054 L1055	Q1048-T1050 PolarHBondContact O-N 3.36Å; T1050-M1052 PolarHBondContact O-N 3.17Å; T1050-K1054 HydrophobicContact CG2-CB 4Å; T1050-K1054 HydrophobicContact CG2-CD 4.11Å; T1050-L1055 HydrophobicContact CG2-CD1 4.39Å; T1050-L1055 WeakPolarHBondContact OG1-CD1 3.27Å
1051	P	33.6	Very low	39.8	Very low	66 Å²	66	99.8 Å²	99.8	43%	0.429	55%	0.545	S	S	.	.			trans	-53.9	145	169.6	23.6	-32.5	0	0	0	108.3	L1049 D1053 K1054	L1049-P1051 WeakPolarHBondContact O-CD 3.37Å; P1051-D1053 PolarHBondContact O-N 2.88Å; P1051-K1054 PolarHBondContact O-N 2.81Å
1052	M	36.6	Very low	40.2	Very low	58 Å²	58	99.7 Å²	99.7	29%	0.286	54%	0.535	S	S	.	.	H	α-helix	trans	-50.4	-29.3	-176.7	-81.4	-74.3	-90.3	0	0	112.5	T637 Q638 T1050 K1054 L1055 F1056	T637-M1052 HydrophobicContact CG2-SD 3.91Å; Q638-M1052 VanDerWaalsContact O-CE 3.27Å; Q638-M1052 WeakPolarHBondContact O-CE 3.39Å; T1050-M1052 PolarHBondContact O-N 3.17Å; M1052-K1054 PolarHBondContact O-N 2.69Å; M1052-L1055 PolarHBondContact O-N 2.95Å; M1052-F1056 HydrophobicContact CE-CD2 3.44Å; M1052-F1056 VanDerWaalsContact CE-CD2 3.44Å; M1052-F1056 HydrophobicContact CE-CE2 3.66Å; M1052-F1056 HydrophobicContact CE-CG 4.31Å; M1052-F1056 PolarHBondContact O-N 3.25Å; M1052-F1056 HydrophobicContact SD-CD2 3.67Å; M1052-F1056 HydrophobicContact SD-CE2 4.05Å
1053	D	38.7	Very low	41.2	Very low	115 Å²	115	96 Å²	96	62%	0.615	51%	0.513	S	S	*	.	H	α-helix	trans	-49.9	-28.5	172.4	-37.5	-12.9	0	0	0	113.5	P1051	P1051-D1053 PolarHBondContact O-N 2.88Å
1054	K	35.1	Very low	42.6	Very low	164 Å²	164	90.5 Å²	90.5	71%	0.713	49%	0.494	S	S	*	.	H	α-helix	trans	-92.6	-28.9	176.7	-83.4	-172.4	174.5	-177.5	0	114.5	T1050 P1051 M1052	T1050-K1054 HydrophobicContact CG2-CB 4Å; T1050-K1054 HydrophobicContact CG2-CD 4.11Å; P1051-K1054 PolarHBondContact O-N 2.81Å; M1052-K1054 PolarHBondContact O-N 2.69Å
1055	L	37.4	Very low	44	Very low	108 Å²	108	88.7 Å²	88.7	57%	0.565	49%	0.485	S	S	*	.	H	α-helix	trans	-89.7	-37.4	-178.6	-121.5	105.2	0	0	0	112.1	T1050 M1052	T1050-L1055 HydrophobicContact CG2-CD1 4.39Å; T1050-L1055 WeakPolarHBondContact OG1-CD1 3.27Å; M1052-L1055 PolarHBondContact O-N 2.95Å
1056	F	39.8	Very low	45.4	Very low	60 Å²	60	86.4 Å²	86.4	26%	0.263	47%	0.468	S	S	.	.			trans	-109.6	78.1	170.6	-76.6	-92.7	0	0	0	107.2	M1052 P1058	M1052-F1056 HydrophobicContact CE-CD2 3.44Å; M1052-F1056 VanDerWaalsContact CE-CD2 3.44Å; M1052-F1056 HydrophobicContact CE-CE2 3.66Å; M1052-F1056 HydrophobicContact CE-CG 4.31Å; M1052-F1056 PolarHBondContact O-N 3.25Å; M1052-F1056 HydrophobicContact SD-CD2 3.67Å; M1052-F1056 HydrophobicContact SD-CE2 4.05Å; F1056-P1058 WeakPolarHBondContact O-CD 3.41Å; F1056-P1058 VanDerWaalsContact O-N 3.1Å
1057	N	47.1	Very low	47.1	Very low	89 Å²	89	86.9 Å²	86.9	48%	0.476	47%	0.467	S	S	.	.			trans	-60.8	117.6	158.5	-170	-6.2	0	0	0	105.1	F1059 G1060	N1057-F1059 HydrophobicContact CB-CB 4.42Å; N1057-F1059 CarbonylContact O-C 3.59Å; N1057-F1059 PolarHBondContact O-N 3.01Å; N1057-F1059 WeakPolarHBondContact OD1-CB 3.38Å; N1057-F1059 PolarHBondContact OD1-N 2.95Å; N1057-G1060 PolarHBondContact O-N 2.89Å
1058	P	51.9	Low	48.8	Very low	48 Å²	48	83.4 Å²	83.4	31%	0.312	45%	0.453	S	S	.	.	H	α-helix	trans	-52.2	-24.3	177	18.4	-31.3	0	0	0	111.5	Y336 F1056 G1060 I1062	Y336-P1058 HydrophobicContact CE1-CB 4.36Å; F1056-P1058 WeakPolarHBondContact O-CD 3.41Å; F1056-P1058 VanDerWaalsContact O-N 3.1Å; P1058-G1060 VanDerWaalsContact C-N 3.33Å; P1058-G1060 PolarHBondContact O-N 3.11Å; P1058-I1062 WeakPolarHBondContact O-CB 3.41Å; P1058-I1062 WeakPolarHBondContact O-CD1 3.49Å; P1058-I1062 WeakPolarHBondContact O-CG1 3.43Å; P1058-I1062 PolarHBondContact O-N 2.94Å
1059	F	51.1	Low	50.5	Low	137 Å²	137	76.6 Å²	76.6	60%	0.601	42%	0.424	S	S	*	.	H	α-helix	trans	-54.9	-40.5	167.8	-111.9	-91	0	0	0	114.4	N1057 I1062 M1063	N1057-F1059 HydrophobicContact CB-CB 4.42Å; N1057-F1059 CarbonylContact O-C 3.59Å; N1057-F1059 PolarHBondContact O-N 3.01Å; N1057-F1059 WeakPolarHBondContact OD1-CB 3.38Å; N1057-F1059 PolarHBondContact OD1-N 2.95Å; F1059-I1062 PolarHBondContact O-N 2.83Å; F1059-M1063 HydrophobicContact CD1-CG 4.26Å; F1059-M1063 VanDerWaalsContact O-CB 3.23Å; F1059-M1063 WeakPolarHBondContact O-CB 3.37Å; F1059-M1063 WeakPolarHBondContact O-CG 3.48Å; F1059-M1063 PolarHBondContact O-N 2.86Å
1060	G	54.2	Low	52.2	Low	49 Å²	49	74.4 Å²	74.4	51%	0.505	41%	0.412	S	S	.	.	H	α-helix	trans	-64.5	-46.2	-177	0	0	0	0	0	112.8	N1057 P1058 M1063 G1064	N1057-G1060 PolarHBondContact O-N 2.89Å; P1058-G1060 VanDerWaalsContact C-N 3.33Å; P1058-G1060 PolarHBondContact O-N 3.11Å; G1060-M1063 PolarHBondContact O-N 3.38Å; G1060-G1064 PolarHBondContact O-N 2.92Å
1061	E	55.9	Low	54.1	Low	55 Å²	55	74.2 Å²	74.2	26%	0.257	41%	0.414	S	S	.	.	H	α-helix	trans	-72.4	-37.5	174.7	-86.7	-171.1	154.4	0	0	112.1	Y336 M1063 G1064 I1065	Y336-E1061 WeakPolarHBondContact CE2-OE2 3.18Å; Y336-E1061 PolarHBondContact OH-OE2 3.15Å; E1061-M1063 VanDerWaalsContact C-N 3.28Å; E1061-M1063 PolarHBondContact O-N 3.28Å; E1061-G1064 CarbonylContact O-C 3.57Å; E1061-G1064 PolarHBondContact O-N 3.16Å; E1061-G1064 VanDerWaalsContact O-N 3.14Å; E1061-I1065 VanDerWaalsContact O-CG1 3.29Å; E1061-I1065 WeakPolarHBondContact O-CG1 3.32Å; E1061-I1065 PolarHBondContact O-N 3.46Å
1062	I	58.6	Low	55.8	Low	36 Å²	36	76.9 Å²	76.9	19%	0.185	42%	0.424	C	S	.	.	H	α-helix	trans	-59	-43.4	171.7	-69.9	167.8	0	0	0	110.1	F337 P1058 F1059 I1065 C1066	F337-I1062 HydrophobicContact CE2-CD1 4.1Å; F337-I1062 HydrophobicContact CZ-CD1 4.18Å; P1058-I1062 WeakPolarHBondContact O-CB 3.41Å; P1058-I1062 WeakPolarHBondContact O-CD1 3.49Å; P1058-I1062 WeakPolarHBondContact O-CG1 3.43Å; P1058-I1062 PolarHBondContact O-N 2.94Å; F1059-I1062 PolarHBondContact O-N 2.83Å; I1062-I1065 PolarHBondContact O-N 3.31Å; I1062-C1066 WeakPolarHBondContact O-CB 3.18Å; I1062-C1066 PolarHBondContact O-N 3.35Å; I1062-C1066 PolarHBondContact O-SG 3.47Å
1063	M	61.3	Low	57.3	Low	80 Å²	80	76.5 Å²	76.5	39%	0.394	42%	0.423	S	S	.	.	H	α-helix	trans	-65	-40.7	174.9	-72	-63.3	-72.2	0	0	111.2	F1059 G1060 E1061 I1065 C1066 F1067	F1059-M1063 HydrophobicContact CD1-CG 4.26Å; F1059-M1063 VanDerWaalsContact O-CB 3.23Å; F1059-M1063 WeakPolarHBondContact O-CB 3.37Å; F1059-M1063 WeakPolarHBondContact O-CG 3.48Å; F1059-M1063 PolarHBondContact O-N 2.86Å; G1060-M1063 PolarHBondContact O-N 3.38Å; E1061-M1063 VanDerWaalsContact C-N 3.28Å; E1061-M1063 PolarHBondContact O-N 3.28Å; M1063-I1065 PolarHBondContact O-N 2.96Å; M1063-C1066 WeakPolarHBondContact O-CB 3.4Å; M1063-C1066 PolarHBondContact O-N 3.02Å; M1063-F1067 HydrophobicContact CB-CD2 4.27Å; M1063-F1067 HydrophobicContact CB-CE2 4.14Å; M1063-F1067 HydrophobicContact CE-CE2 3.55Å; M1063-F1067 HydrophobicContact CE-CZ 3.65Å; M1063-F1067 WeakPolarHBondContact O-CB 3.46Å; M1063-F1067 WeakPolarHBondContact O-CD2 3.45Å; M1063-F1067 WeakPolarHBondContact O-CG 3.16Å; M1063-F1067 PolarHBondContact O-N 3.26Å
1064	G	61.8	Low	58.9	Low	43 Å²	43	75.5 Å²	75.5	44%	0.443	42%	0.417	S	S	.	.	H	α-helix	trans	-60.2	-42.7	173.8	0	0	0	0	0	112.9	G1060 E1061 G1068	G1060-G1064 PolarHBondContact O-N 2.92Å; E1061-G1064 CarbonylContact O-C 3.57Å; E1061-G1064 PolarHBondContact O-N 3.16Å; E1061-G1064 VanDerWaalsContact O-N 3.14Å; G1064-G1068 PolarHBondContact O-N 3.06Å
1065	I	64.3	Low	60.7	Low	44 Å²	44	70.7 Å²	70.7	23%	0.226	40%	0.402	C	S	.	.	H	α-helix	trans	-63.4	-46.8	173.5	-68	166.4	0	0	0	110	L329 R332 E1061 I1062 M1063 G1068 T1069	L329-I1065 HydrophobicContact CD2-CG2 3.73Å; R332-I1065 HydrophobicContact CB-CG2 4.14Å; E1061-I1065 VanDerWaalsContact O-CG1 3.29Å; E1061-I1065 WeakPolarHBondContact O-CG1 3.32Å; E1061-I1065 PolarHBondContact O-N 3.46Å; I1062-I1065 PolarHBondContact O-N 3.31Å; M1063-I1065 PolarHBondContact O-N 2.96Å; I1065-G1068 PolarHBondContact O-N 3.22Å; I1065-T1069 WeakPolarHBondContact O-CG2 3.41Å; I1065-T1069 PolarHBondContact O-N 3.42Å; I1065-T1069 PolarHBondContact O-OG1 3.1Å
1066	C	63.3	Low	62.4	Low	44 Å²	44	69.1 Å²	69.1	30%	0.297	39%	0.394	S	S	.	.	H	α-helix	trans	-59.1	-49.5	176.4	-72.3	0	0	0	0	111.7	I1062 M1063 T1069 L1070	I1062-C1066 WeakPolarHBondContact O-CB 3.18Å; I1062-C1066 PolarHBondContact O-N 3.35Å; I1062-C1066 PolarHBondContact O-SG 3.47Å; M1063-C1066 WeakPolarHBondContact O-CB 3.4Å; M1063-C1066 PolarHBondContact O-N 3.02Å; C1066-T1069 PolarHBondContact O-N 3.44Å; C1066-T1069 PolarHBondContact O-OG1 2.02Å; C1066-L1070 WeakPolarHBondContact O-CB 3.43Å; C1066-L1070 PolarHBondContact O-N 3.12Å
1067	F	69.7	Low	63.9	Low	128 Å²	128	71.4 Å²	71.4	56%	0.561	40%	0.402	S	S	*	.	H	α-helix	trans	-65.6	-40	178.2	-73.5	-57.4	0	0	0	112.4	M1063 T1069 L1070 S1071	M1063-F1067 HydrophobicContact CB-CD2 4.27Å; M1063-F1067 HydrophobicContact CB-CE2 4.14Å; M1063-F1067 HydrophobicContact CE-CE2 3.55Å; M1063-F1067 HydrophobicContact CE-CZ 3.65Å; M1063-F1067 WeakPolarHBondContact O-CB 3.46Å; M1063-F1067 WeakPolarHBondContact O-CD2 3.45Å; M1063-F1067 WeakPolarHBondContact O-CG 3.16Å; M1063-F1067 PolarHBondContact O-N 3.26Å; F1067-T1069 VanDerWaalsContact C-N 3.35Å; F1067-T1069 PolarHBondContact O-N 3.06Å; F1067-L1070 WeakPolarHBondContact O-CB 3.32Å; F1067-L1070 PolarHBondContact O-N 3.27Å; F1067-S1071 WeakPolarHBondContact O-CB 3.45Å; F1067-S1071 PolarHBondContact O-N 2.83Å
1068	G	69.1	Low	65.2	Low	35 Å²	35	72.3 Å²	72.3	36%	0.361	41%	0.406	S	S	.	.	H	α-helix	trans	-59.2	-45.5	174.2	0	0	0	0	0	111.6	G1064 I1065 S1071 L1072	G1064-G1068 PolarHBondContact O-N 3.06Å; I1065-G1068 PolarHBondContact O-N 3.22Å; G1068-S1071 PolarHBondContact O-N 3.11Å; G1068-S1071 PolarHBondContact O-OG 3.35Å; G1068-L1072 PolarHBondContact O-N 2.74Å
1069	T	67.9	Low	66.4	Low	34 Å²	34	74.5 Å²	74.5	21%	0.209	41%	0.414	C	S	.	.	H	α-helix	trans	-67.2	-37.4	174.4	57.4	0	0	0	0	113.1	L329 I1065 C1066 F1067 S1071 L1072 L1073	L329-T1069 HydrophobicContact CD2-CG2 3.55Å; L329-T1069 WeakPolarHBondContact CD2-OG1 2.85Å; L329-T1069 HydrophobicContact CG-CG2 3.84Å; I1065-T1069 WeakPolarHBondContact O-CG2 3.41Å; I1065-T1069 PolarHBondContact O-N 3.42Å; I1065-T1069 PolarHBondContact O-OG1 3.1Å; C1066-T1069 PolarHBondContact O-N 3.44Å; C1066-T1069 PolarHBondContact O-OG1 2.02Å; F1067-T1069 VanDerWaalsContact C-N 3.35Å; F1067-T1069 PolarHBondContact O-N 3.06Å; T1069-S1071 VanDerWaalsContact C-N 3.3Å; T1069-S1071 PolarHBondContact O-N 3.37Å; T1069-L1072 WeakPolarHBondContact O-CB 3.39Å; T1069-L1072 PolarHBondContact O-N 3.25Å; T1069-L1072 VanDerWaalsContact O-N 3.16Å; T1069-L1073 WeakPolarHBondContact O-CB 3.34Å; T1069-L1073 PolarHBondContact O-N 2.87Å
1070	L	68.6	Low	67.5	Low	89 Å²	89	69.1 Å²	69.1	47%	0.466	39%	0.392	S	S	.	.	H	α-helix	trans	-62.2	-39.4	175.3	-154.8	87.9	0	0	0	111.4	C1066 F1067 L1072 L1073 I1074	C1066-L1070 WeakPolarHBondContact O-CB 3.43Å; C1066-L1070 PolarHBondContact O-N 3.12Å; F1067-L1070 WeakPolarHBondContact O-CB 3.32Å; F1067-L1070 PolarHBondContact O-N 3.27Å; L1070-L1072 PolarHBondContact O-N 3.32Å; L1070-L1073 WeakPolarHBondContact O-CB 3.23Å; L1070-L1073 PolarHBondContact O-N 3.12Å; L1070-L1073 VanDerWaalsContact O-N 3.08Å; L1070-I1074 HydrophobicContact CD2-CD1 4.44Å; L1070-I1074 WeakPolarHBondContact O-CG1 3.5Å; L1070-I1074 PolarHBondContact O-N 3.36Å
1071	S	69	Low	68.4	Low	76 Å²	76	69.5 Å²	69.5	53%	0.531	38%	0.383	S	S	.	.	H	α-helix	trans	-64.8	-26.6	177.2	78.5	0	0	0	0	113.2	F1067 G1068 T1069 P1075	F1067-S1071 WeakPolarHBondContact O-CB 3.45Å; F1067-S1071 PolarHBondContact O-N 2.83Å; G1068-S1071 PolarHBondContact O-N 3.11Å; G1068-S1071 PolarHBondContact O-OG 3.35Å; T1069-S1071 VanDerWaalsContact C-N 3.3Å; T1069-S1071 PolarHBondContact O-N 3.37Å; S1071-P1075 WeakPolarHBondContact O-CD 3.46Å; S1071-P1075 VanDerWaalsContact O-CG 3.3Å; S1071-P1075 WeakPolarHBondContact O-CG 3.49Å
1072	L	69.8	Low	69.3	Low	122 Å²	122	73.9 Å²	73.9	64%	0.639	40%	0.398	S	S	*	.	H	α-helix	trans	-83.8	-30.7	172.3	-118.5	155.5	0	0	0	111.8	G1068 T1069 L1070 P1075 L1076	G1068-L1072 PolarHBondContact O-N 2.74Å; T1069-L1072 WeakPolarHBondContact O-CB 3.39Å; T1069-L1072 PolarHBondContact O-N 3.25Å; T1069-L1072 VanDerWaalsContact O-N 3.16Å; L1070-L1072 PolarHBondContact O-N 3.32Å; L1072-P1075 WeakPolarHBondContact O-CD 3.21Å; L1072-L1076 WeakPolarHBondContact O-CB 3.49Å; L1072-L1076 PolarHBondContact O-N 2.92Å
1073	L	69.1	Low	69.9	Low	51 Å²	51	77.6 Å²	77.6	27%	0.267	41%	0.413	S	S	.	.	H	α-helix	trans	-71.7	-41.3	-178.4	-158.1	150.9	0	0	0	112	I325 T1069 L1070 L1076 Y1077	I325-L1073 HydrophobicContact CD1-CB 4.48Å; I325-L1073 HydrophobicContact CD1-CD1 3.63Å; I325-L1073 HydrophobicContact CD1-CG 3.79Å; I325-L1073 HydrophobicContact CG2-CD1 4.1Å; T1069-L1073 WeakPolarHBondContact O-CB 3.34Å; T1069-L1073 PolarHBondContact O-N 2.87Å; L1070-L1073 WeakPolarHBondContact O-CB 3.23Å; L1070-L1073 PolarHBondContact O-N 3.12Å; L1070-L1073 VanDerWaalsContact O-N 3.08Å; L1073-L1076 PolarHBondContact O-N 2.68Å; L1073-Y1077 VanDerWaalsContact O-CB 3.25Å; L1073-Y1077 WeakPolarHBondContact O-CB 3.44Å; L1073-Y1077 PolarHBondContact O-N 3.06Å
1074	I	72.6	Confident	70.2	Confident	93 Å²	93	75.8 Å²	75.8	48%	0.477	40%	0.403	S	S	.	.	H	α-helix	trans	-59.8	-51.1	-179.3	-66	163.3	0	0	0	111.6	L1070 L1076 Y1077 L1078	L1070-I1074 HydrophobicContact CD2-CD1 4.44Å; L1070-I1074 WeakPolarHBondContact O-CG1 3.5Å; L1070-I1074 PolarHBondContact O-N 3.36Å; I1074-L1076 PolarHBondContact O-N 3.16Å; I1074-Y1077 PolarHBondContact O-N 2.81Å; I1074-L1078 HydrophobicContact CG2-CD1 4.11Å; I1074-L1078 VanDerWaalsContact O-CG 3.28Å; I1074-L1078 WeakPolarHBondContact O-CG 3.46Å; I1074-L1078 PolarHBondContact O-N 2.87Å
1075	P	72.6	Confident	70.6	Confident	64 Å²	64	77.7 Å²	77.7	42%	0.416	41%	0.406	S	S	.	.	H	α-helix	trans	-62.4	-41.5	176	-21.9	31.9	0	0	0	112.9	S1071 L1072 Y1077 L1078 I1079	S1071-P1075 WeakPolarHBondContact O-CD 3.46Å; S1071-P1075 VanDerWaalsContact O-CG 3.3Å; S1071-P1075 WeakPolarHBondContact O-CG 3.49Å; L1072-P1075 WeakPolarHBondContact O-CD 3.21Å; P1075-Y1077 VanDerWaalsContact C-N 3.34Å; P1075-Y1077 PolarHBondContact O-N 3.32Å; P1075-L1078 PolarHBondContact O-N 3.18Å; P1075-I1079 VanDerWaalsContact O-CG1 3.29Å; P1075-I1079 WeakPolarHBondContact O-CG1 3.34Å; P1075-I1079 PolarHBondContact O-N 2.98Å
1076	L	72.1	Confident	70.6	Confident	74 Å²	74	81.1 Å²	81.1	39%	0.387	42%	0.423	S	S	.	.	H	α-helix	trans	-66.8	-39	-178	-152.3	121.4	0	0	0	111.4	I321 L1072 L1073 I1074 I1079 V1080	I321-L1076 HydrophobicContact CD1-CD2 4.44Å; I321-L1076 HydrophobicContact CG2-CD2 3.79Å; L1072-L1076 WeakPolarHBondContact O-CB 3.49Å; L1072-L1076 PolarHBondContact O-N 2.92Å; L1073-L1076 PolarHBondContact O-N 2.68Å; I1074-L1076 PolarHBondContact O-N 3.16Å; L1076-I1079 PolarHBondContact O-N 2.95Å; L1076-V1080 WeakPolarHBondContact O-CG2 3.41Å; L1076-V1080 PolarHBondContact O-N 2.95Å
1077	Y	72.4	Confident	70.4	Confident	109 Å²	109	85.6 Å²	85.6	43%	0.427	44%	0.437	S	S	.	.	H	α-helix	trans	-57.7	-50.8	170.9	179.9	-79.6	0	0	0	110.8	M318 L1073 I1074 P1075 I1079 V1080 D1081	M318-Y1077 HydrophobicContact CE-CD2 3.03Å; M318-Y1077 HydrophobicContact CE-CE2 3.09Å; M318-Y1077 HydrophobicContact CE-CG 3.92Å; L1073-Y1077 VanDerWaalsContact O-CB 3.25Å; L1073-Y1077 WeakPolarHBondContact O-CB 3.44Å; L1073-Y1077 PolarHBondContact O-N 3.06Å; I1074-Y1077 PolarHBondContact O-N 2.81Å; P1075-Y1077 VanDerWaalsContact C-N 3.34Å; P1075-Y1077 PolarHBondContact O-N 3.32Å; Y1077-I1079 VanDerWaalsContact C-N 3.3Å; Y1077-I1079 PolarHBondContact O-N 3.14Å; Y1077-V1080 PolarHBondContact O-N 3.11Å; Y1077-D1081 HydrophobicContact CE1-CB 4.24Å; Y1077-D1081 WeakPolarHBondContact O-CB 3.48Å; Y1077-D1081 PolarHBondContact O-N 3.15Å
1078	L	74.6	Confident	69.8	Low	107 Å²	107	81.8 Å²	81.8	56%	0.56	43%	0.426	S	S	*	.	H	α-helix	trans	-61.4	-38.1	-179.5	-70.1	169.4	0	0	0	112	I1074 P1075 Y1082	I1074-L1078 HydrophobicContact CG2-CD1 4.11Å; I1074-L1078 VanDerWaalsContact O-CG 3.28Å; I1074-L1078 WeakPolarHBondContact O-CG 3.46Å; I1074-L1078 PolarHBondContact O-N 2.87Å; P1075-L1078 PolarHBondContact O-N 3.18Å; L1078-Y1082 WeakPolarHBondContact O-CB 3.02Å; L1078-Y1082 PolarHBondContact O-N 3.15Å
1079	I	75.9	Confident	69.1	Low	95 Å²	95	86.9 Å²	86.9	49%	0.487	44%	0.438	S	S	.	.	H	α-helix	trans	-66.5	-47.1	176.8	-69.5	165.6	0	0	0	110.9	P1075 L1076 Y1077 Y1082 F1083	P1075-I1079 VanDerWaalsContact O-CG1 3.29Å; P1075-I1079 WeakPolarHBondContact O-CG1 3.34Å; P1075-I1079 PolarHBondContact O-N 2.98Å; L1076-I1079 PolarHBondContact O-N 2.95Å; Y1077-I1079 VanDerWaalsContact C-N 3.3Å; Y1077-I1079 PolarHBondContact O-N 3.14Å; I1079-Y1082 WeakPolarHBondContact O-CB 3.44Å; I1079-Y1082 PolarHBondContact O-N 3.38Å; I1079-F1083 HydrophobicContact CG2-CD2 3.72Å; I1079-F1083 HydrophobicContact CG2-CE2 3.7Å; I1079-F1083 VanDerWaalsContact O-CD2 3.25Å; I1079-F1083 WeakPolarHBondContact O-CD2 3.44Å; I1079-F1083 PolarHBondContact O-N 2.91Å
1080	V	74	Confident	68.4	Low	24 Å²	24	88.2 Å²	88.2	15%	0.145	45%	0.449	C	S	.	.	H	α-helix	trans	-64.2	-44.8	179.6	173.6	0	0	0	0	110.6	M318 I321 L1076 Y1077 Y1082 F1083 F1084	M318-V1080 HydrophobicContact SD-CB 4.3Å; M318-V1080 HydrophobicContact SD-CG1 3.67Å; I321-V1080 HydrophobicContact CD1-CG2 3.88Å; L1076-V1080 WeakPolarHBondContact O-CG2 3.41Å; L1076-V1080 PolarHBondContact O-N 2.95Å; Y1077-V1080 PolarHBondContact O-N 3.11Å; V1080-Y1082 VanDerWaalsContact C-N 3.31Å; V1080-Y1082 PolarHBondContact O-N 2.97Å; V1080-F1083 PolarHBondContact O-N 3.03Å; V1080-F1084 HydrophobicContact CG1-CD2 3.73Å; V1080-F1084 HydrophobicContact CG1-CE2 3.85Å; V1080-F1084 WeakPolarHBondContact O-CD2 3.38Å; V1080-F1084 PolarHBondContact O-N 2.71Å
1081	D	74.4	Confident	67.6	Low	56 Å²	56	85.2 Å²	85.2	30%	0.299	44%	0.435	S	S	.	.	H	α-helix	trans	-63.2	-39.9	177.9	-160.8	25.8	0	0	0	111.4	H314 Y1077 F1084 T1085	H314-D1081 IonicContact CE1-OD1 2.9Å; Y1077-D1081 HydrophobicContact CE1-CB 4.24Å; Y1077-D1081 WeakPolarHBondContact O-CB 3.48Å; Y1077-D1081 PolarHBondContact O-N 3.15Å; D1081-F1084 PolarHBondContact O-N 2.85Å; D1081-T1085 VanDerWaalsContact O-CB 3.26Å; D1081-T1085 WeakPolarHBondContact O-CB 3.38Å; D1081-T1085 PolarHBondContact O-N 2.97Å; D1081-T1085 PolarHBondContact O-OG1 2.8Å
1082	Y	73.2	Confident	66.7	Low	148 Å²	148	86.3 Å²	86.3	58%	0.58	43%	0.434	S	S	*	.	H	α-helix	trans	-58.9	-48.5	171.9	-178.2	-99.2	0	0	0	111.9	L1078 I1079 V1080 F1084 T1085 M1086	L1078-Y1082 WeakPolarHBondContact O-CB 3.02Å; L1078-Y1082 PolarHBondContact O-N 3.15Å; I1079-Y1082 WeakPolarHBondContact O-CB 3.44Å; I1079-Y1082 PolarHBondContact O-N 3.38Å; V1080-Y1082 VanDerWaalsContact C-N 3.31Å; V1080-Y1082 PolarHBondContact O-N 2.97Å; Y1082-F1084 PolarHBondContact O-N 3Å; Y1082-T1085 PolarHBondContact O-N 3.23Å; Y1082-M1086 WeakPolarHBondContact O-CB 3.44Å; Y1082-M1086 PolarHBondContact O-N 3.01Å
1083	F	71.5	Confident	65.8	Low	114 Å²	114	84.6 Å²	84.6	50%	0.5	43%	0.426	S	S	.	.	H	α-helix	trans	-62.5	-41.7	178.7	-89.6	-70	0	0	0	113.2	I1079 V1080 M1086 K1087	I1079-F1083 HydrophobicContact CG2-CD2 3.72Å; I1079-F1083 HydrophobicContact CG2-CE2 3.7Å; I1079-F1083 VanDerWaalsContact O-CD2 3.25Å; I1079-F1083 WeakPolarHBondContact O-CD2 3.44Å; I1079-F1083 PolarHBondContact O-N 2.91Å; V1080-F1083 PolarHBondContact O-N 3.03Å; F1083-M1086 PolarHBondContact O-N 3.08Å; F1083-K1087 PolarHBondContact O-N 2.85Å
1084	F	68.7	Low	64.8	Low	42 Å²	42	91.8 Å²	91.8	18%	0.184	45%	0.449	C	S	.	.	H	α-helix	trans	-69.3	-40	177.3	-88.9	-83.5	0	0	0	111.9	H314 V1080 D1081 Y1082 M1086 K1087 C1088	H314-F1084 HydrophobicContact CB-CD1 3.86Å; H314-F1084 HydrophobicContact CB-CE1 3.85Å; H314-F1084 HydrophobicContact CB-CG 4.22Å; H314-F1084 HydrophobicContact CB-CZ 4.2Å; H314-F1084 AromaticContact CE1-CD2 3.99Å; H314-F1084 AromaticContact ND1-CD1 3.83Å; H314-F1084 AromaticContact ND1-CD2 3.16Å; H314-F1084 WeakPolarHBondContact ND1-CD2 3.23Å; H314-F1084 AromaticContact ND1-CE2 3.65Å; H314-F1084 AromaticContact ND1-CG 3.26Å; H314-F1084 VanDerWaalsContact ND1-CG 3.26Å; H314-F1084 WeakPolarHBondContact ND1-CG 3.14Å; V1080-F1084 HydrophobicContact CG1-CD2 3.73Å; V1080-F1084 HydrophobicContact CG1-CE2 3.85Å; V1080-F1084 WeakPolarHBondContact O-CD2 3.38Å; V1080-F1084 PolarHBondContact O-N 2.71Å; D1081-F1084 PolarHBondContact O-N 2.85Å; Y1082-F1084 PolarHBondContact O-N 3Å; F1084-M1086 VanDerWaalsContact C-N 3.32Å; F1084-M1086 PolarHBondContact O-N 2.78Å; F1084-K1087 PolarHBondContact O-N 2.87Å; F1084-C1088 WeakPolarHBondContact O-CB 3.36Å; F1084-C1088 PolarHBondContact O-N 3.03Å
1085	T	69.2	Low	63.6	Low	82 Å²	82	93.8 Å²	93.8	50%	0.503	46%	0.457	S	S	.	.	H	α-helix	trans	-61.7	-42.8	174.8	-59.1	0	0	0	0	110.8	D1081 Y1082 C1088 K1089	D1081-T1085 VanDerWaalsContact O-CB 3.26Å; D1081-T1085 WeakPolarHBondContact O-CB 3.38Å; D1081-T1085 PolarHBondContact O-N 2.97Å; D1081-T1085 PolarHBondContact O-OG1 2.8Å; Y1082-T1085 PolarHBondContact O-N 3.23Å; T1085-C1088 PolarHBondContact O-N 2.96Å; T1085-K1089 WeakPolarHBondContact O-CB 3.39Å; T1085-K1089 PolarHBondContact O-N 2.87Å
1086	M	65	Low	62.3	Low	117 Å²	117	96.6 Å²	96.6	58%	0.576	47%	0.472	S	S	*	.	H	α-helix	trans	-65.6	-42.7	178.3	-132.1	-145.7	165.8	0	0	112.4	Y1082 F1083 F1084 K1089 S1090	Y1082-M1086 WeakPolarHBondContact O-CB 3.44Å; Y1082-M1086 PolarHBondContact O-N 3.01Å; F1083-M1086 PolarHBondContact O-N 3.08Å; F1084-M1086 VanDerWaalsContact C-N 3.32Å; F1084-M1086 PolarHBondContact O-N 2.78Å; M1086-K1089 PolarHBondContact O-N 3.37Å; M1086-S1090 WeakPolarHBondContact O-CB 3.29Å; M1086-S1090 PolarHBondContact O-N 3.23Å
1087	K	59.9	Low	60.6	Low	138 Å²	138	102.2 Å²	102.2	60%	0.6	50%	0.5	S	S	*	.	H	α-helix	trans	-67.2	-38.5	175.7	-81.3	-166	174.7	-178.2	0	112.8	F1083 F1084 S1090 S1091	F1083-K1087 PolarHBondContact O-N 2.85Å; F1084-K1087 PolarHBondContact O-N 2.87Å; K1087-S1090 PolarHBondContact O-N 2.83Å; K1087-S1091 WeakPolarHBondContact O-CB 3.44Å; K1087-S1091 PolarHBondContact O-N 3.03Å
1088	C	56.9	Low	60	Low	48 Å²	48	101.9 Å²	101.9	32%	0.324	50%	0.504	S	S	.	.	H	α-helix	trans	-61.6	-44.8	173.4	-83.5	0	0	0	0	111	F1084 T1085 S1091 I1092	F1084-C1088 WeakPolarHBondContact O-CB 3.36Å; F1084-C1088 PolarHBondContact O-N 3.03Å; T1085-C1088 PolarHBondContact O-N 2.96Å; C1088-S1091 PolarHBondContact O-N 2.82Å; C1088-I1092 VanDerWaalsContact O-CG1 3.29Å; C1088-I1092 WeakPolarHBondContact O-CG1 2.88Å; C1088-I1092 PolarHBondContact O-N 3.08Å
1089	K	54.1	Low	59.2	Low	141 Å²	141	101.6 Å²	101.6	61%	0.613	50%	0.501	S	S	*	.	H	α-helix	trans	-61.6	-47.8	176.7	-164.8	174	-177.8	-179.3	0	111.6	T1085 M1086 S1091 I1092 D1093	T1085-K1089 WeakPolarHBondContact O-CB 3.39Å; T1085-K1089 PolarHBondContact O-N 2.87Å; M1086-K1089 PolarHBondContact O-N 3.37Å; K1089-S1091 VanDerWaalsContact C-N 3.29Å; K1089-S1091 PolarHBondContact O-N 2.87Å; K1089-I1092 PolarHBondContact O-N 3.04Å; K1089-I1092 VanDerWaalsContact O-N 3.16Å; K1089-D1093 PolarHBondContact O-N 3.28Å
1090	S	53.3	Low	58.3	Low	63 Å²	63	101.9 Å²	101.9	44%	0.441	50%	0.502	S	S	.	.	H	α-helix	trans	-57.9	-37.2	174.8	164.4	0	0	0	0	113.6	M1086 K1087 R1094	M1086-S1090 WeakPolarHBondContact O-CB 3.29Å; M1086-S1090 PolarHBondContact O-N 3.23Å; K1087-S1090 PolarHBondContact O-N 2.83Å; S1090-R1094 PolarHBondContact O-N 2.8Å; S1090-R1094 VanDerWaalsContact O-N 3.15Å
1091	S	51.6	Low	57.4	Low	26 Å²	26	106.5 Å²	106.5	18%	0.182	52%	0.523	C	S	.	.	H	α-helix	trans	-74.5	-33.5	178.3	-174.5	0	0	0	0	112.6	K1087 C1088 K1089 Q1095	K1087-S1091 WeakPolarHBondContact O-CB 3.44Å; K1087-S1091 PolarHBondContact O-N 3.03Å; C1088-S1091 PolarHBondContact O-N 2.82Å; K1089-S1091 VanDerWaalsContact C-N 3.29Å; K1089-S1091 PolarHBondContact O-N 2.87Å; S1091-Q1095 PolarHBondContact O-N 2.92Å
1092	I	51	Low	56.3	Low	99 Å²	99	109.7 Å²	109.7	51%	0.508	54%	0.537	S	S	.	.	H	α-helix	trans	-70	-44.9	175.3	-68.4	165.2	0	0	0	109.2	C1088 K1089 R1094 Q1095 V1096	C1088-I1092 VanDerWaalsContact O-CG1 3.29Å; C1088-I1092 WeakPolarHBondContact O-CG1 2.88Å; C1088-I1092 PolarHBondContact O-N 3.08Å; K1089-I1092 PolarHBondContact O-N 3.04Å; K1089-I1092 VanDerWaalsContact O-N 3.16Å; I1092-R1094 VanDerWaalsContact C-N 3.26Å; I1092-R1094 PolarHBondContact O-N 3.22Å; I1092-Q1095 PolarHBondContact O-N 3.27Å; I1092-V1096 HydrophobicContact CG2-CG2 4.41Å; I1092-V1096 WeakPolarHBondContact O-CG2 3.17Å; I1092-V1096 PolarHBondContact O-N 3.41Å; I1092-V1096 VanDerWaalsContact O-N 3.07Å
1093	D	49.8	Very low	55.2	Low	86 Å²	86	107.1 Å²	107.1	46%	0.46	53%	0.534	S	S	.	.	H	α-helix	trans	-60.2	-37.1	177	-68.9	-22.9	0	0	0	111.6	K1089 Q1095 V1096 I1097	K1089-D1093 PolarHBondContact O-N 3.28Å; D1093-Q1095 VanDerWaalsContact C-N 3.29Å; D1093-Q1095 PolarHBondContact O-N 3.01Å; D1093-V1096 PolarHBondContact O-N 3.22Å; D1093-I1097 WeakPolarHBondContact O-CG1 3.39Å; D1093-I1097 PolarHBondContact O-N 3Å; D1093-I1097 VanDerWaalsContact O-N 3.16Å
1094	R	48.3	Very low	54	Low	202 Å²	202	106.6 Å²	106.6	76%	0.762	54%	0.536	S	S	*	.	H	α-helix	trans	-70.9	-14.7	173	-88.4	-171.8	-176.1	-175.9	1.5	115.6	S1090 I1092	S1090-R1094 PolarHBondContact O-N 2.8Å; S1090-R1094 VanDerWaalsContact O-N 3.15Å; I1092-R1094 VanDerWaalsContact C-N 3.26Å; I1092-R1094 PolarHBondContact O-N 3.22Å
1095	Q	47	Very low	52.9	Low	135 Å²	135	111.6 Å²	111.6	63%	0.631	56%	0.563	S	S	*	*	H	α-helix	trans	-94.5	-18.6	173.2	-77.4	-175.9	-8.2	0	0	112.3	S1091 I1092 D1093	S1091-Q1095 PolarHBondContact O-N 2.92Å; I1092-Q1095 PolarHBondContact O-N 3.27Å; D1093-Q1095 VanDerWaalsContact C-N 3.29Å; D1093-Q1095 PolarHBondContact O-N 3.01Å
1096	V	46.5	Very low	51.5	Low	123 Å²	123	114.1 Å²	114.1	75%	0.745	57%	0.568	S	S	*	*	H	α-helix	trans	-85.9	-28.3	176.7	175.7	0	0	0	0	111.4	I1092 D1093	I1092-V1096 HydrophobicContact CG2-CG2 4.41Å; I1092-V1096 WeakPolarHBondContact O-CG2 3.17Å; I1092-V1096 PolarHBondContact O-N 3.41Å; I1092-V1096 VanDerWaalsContact O-N 3.07Å; D1093-V1096 PolarHBondContact O-N 3.22Å
1097	I	35.3	Very low	50.3	Low	191 Å²	191	113.8 Å²	113.8	98%	0.979	57%	0.568	S	S	*	*			trans	-80.6	0	165.1	-55.6	167.8	0	0	0	109	D1093	D1093-I1097 WeakPolarHBondContact O-CG1 3.39Å; D1093-I1097 PolarHBondContact O-N 3Å; D1093-I1097 VanDerWaalsContact O-N 3.16Å

Retrieved 1,097 of 1,097 residues in 1329.7 ms (Link to these results)

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