A0A3Q0KRB8_SCHMA Loading...

Calcyphosin-2 AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KRB8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 609 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	38.7	Very low	40.1	Very low	250 Å²	250	148 Å²	148	100%	1.232	83%	0.832	S	S	*	*				0	54.6	0	-69.9	-101.6	-151.4	0	0	110.9
2	R	38.5	Very low	40.4	Very low	247 Å²	247	144.6 Å²	144.6	93%	0.932	83%	0.825	S	S	*	*			trans	-135.6	104.4	171.1	-92.3	-174.2	-173.8	-160	1.7	106
3	G	39	Very low	39.8	Very low	75 Å²	75	145.6 Å²	145.6	77%	0.773	83%	0.825	S	S	*	*			trans	-89.3	112.8	168.6	0	0	0	0	0	107.5	T5	G3-T5 PolarHBondContact O-N 3.1Å
4	E	41.2	Very low	39.9	Very low	179 Å²	179	143.6 Å²	143.6	84%	0.836	82%	0.823	S	S	*	*			trans	-68	115.1	177.6	-70	175.2	162.6	0	0	109.5	T6	E4-T6 PolarHBondContact O-N 3.2Å
5	T	42.3	Very low	40	Very low	127 Å²	127	142.9 Å²	142.9	78%	0.779	82%	0.815	S	S	*	*			trans	-76.8	98.3	171.3	49.6	0	0	0	0	108.6	G3 N7	G3-T5 PolarHBondContact O-N 3.1Å; T5-N7 PolarHBondContact O-N 3.22Å; T5-N7 VanDerWaalsContact O-N 3.09Å
6	T	40.9	Very low	40	Very low	115 Å²	115	143.6 Å²	143.6	71%	0.706	82%	0.815	S	S	*	*			trans	-70	100.5	173.7	51.3	0	0	0	0	109.7	E4 T8	E4-T6 PolarHBondContact O-N 3.2Å; T6-T8 VanDerWaalsContact C-N 3.3Å; T6-T8 PolarHBondContact O-N 3.19Å
7	N	42.2	Very low	40	Very low	154 Å²	154	144.1 Å²	144.1	82%	0.824	82%	0.815	S	S	*	*			trans	-68	84.8	169.1	-82.8	-19.5	0	0	0	109.8	T5 S9	T5-N7 PolarHBondContact O-N 3.22Å; T5-N7 VanDerWaalsContact O-N 3.09Å; N7-S9 VanDerWaalsContact C-N 3.27Å; N7-S9 PolarHBondContact O-N 3.18Å
8	T	40.3	Very low	39.7	Very low	126 Å²	126	142.4 Å²	142.4	77%	0.773	81%	0.812	S	S	*	*			trans	-77.7	81.9	167.7	50	0	0	0	0	108.8	T6 V10	T6-T8 VanDerWaalsContact C-N 3.3Å; T6-T8 PolarHBondContact O-N 3.19Å; T8-V10 PolarHBondContact O-N 3.09Å
9	S	39.2	Very low	39.6	Very low	108 Å²	108	141 Å²	141	76%	0.755	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-69.1	123.4	168.2	61.7	0	0	0	0	109.3	N7	N7-S9 VanDerWaalsContact C-N 3.27Å; N7-S9 PolarHBondContact O-N 3.18Å
10	V	37.5	Very low	39.3	Very low	134 Å²	134	142.1 Å²	142.1	81%	0.812	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-69.7	125.7	175.5	177.3	0	0	0	0	107.9	T8 S12	T8-V10 PolarHBondContact O-N 3.09Å; V10-S12 PolarHBondContact O-N 2.97Å
11	P	41.7	Very low	39.2	Very low	113 Å²	113	139.3 Å²	139.3	73%	0.734	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-61.8	130.7	-178.8	-19.5	30.4	0	0	0	111.4	L13	P11-L13 PolarHBondContact O-N 3.29Å
12	S	42.9	Very low	39.1	Very low	107 Å²	107	134.7 Å²	134.7	75%	0.748	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-70.3	122.3	173.6	58.7	0	0	0	0	110.4	V10 C14	V10-S12 PolarHBondContact O-N 2.97Å; S12-C14 PolarHBondContact O-N 3.19Å
13	L	33.7	Very low	39.1	Very low	158 Å²	158	129.6 Å²	129.6	83%	0.827	77%	0.771	S	S	*	*			trans	-66.1	106.5	174.4	-88.5	141.7	0	0	0	110.7	P11 L15	P11-L13 PolarHBondContact O-N 3.29Å; L13-L15 PolarHBondContact O-N 2.97Å
14	C	40.3	Very low	38.6	Very low	117 Å²	117	134.5 Å²	134.5	79%	0.791	77%	0.774	S	S	*	*			trans	-77.1	106.4	168.5	-72.5	0	0	0	0	109.6	S12	S12-C14 PolarHBondContact O-N 3.19Å
15	L	41.5	Very low	38.1	Very low	133 Å²	133	130.3 Å²	130.3	70%	0.696	76%	0.762	S	S	*	*			trans	-94.9	4.7	-178	-71.3	173.4	0	0	0	114.3	L13 N17	L13-L15 PolarHBondContact O-N 2.97Å; L15-N17 VanDerWaalsContact C-N 3.28Å; L15-N17 PolarHBondContact O-N 2.97Å; L15-N17 VanDerWaalsContact O-N 3.14Å
16	D	40.5	Very low	37.6	Very low	154 Å²	154	132.2 Å²	132.2	82%	0.824	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	1.8	-165.9	-68	-24	0	0	0	115.8
17	N	39.5	Very low	37.2	Very low	152 Å²	152	136.5 Å²	136.5	81%	0.813	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133	33.3	-173.7	-77.2	-21	0	0	0	115.5	L15 P19	L15-N17 VanDerWaalsContact C-N 3.28Å; L15-N17 PolarHBondContact O-N 2.97Å; L15-N17 VanDerWaalsContact O-N 3.14Å; N17-P19 WeakPolarHBondContact O-CD 3.26Å
18	C	34.3	Very low	36.6	Very low	114 Å²	114	135.5 Å²	135.5	77%	0.77	77%	0.772	S	S	*	*			trans	-96.1	94.3	166.6	-82	0	0	0	0	110.5	I20	C18-I20 PolarHBondContact O-N 3.5Å
19	P	38.9	Very low	36	Very low	116 Å²	116	135.9 Å²	135.9	75%	0.753	77%	0.773	S	S	*	*			trans	-61.2	130.7	166.8	25.7	-31.3	0	0	0	108.9	N17 S21	N17-P19 WeakPolarHBondContact O-CD 3.26Å; P19-S21 VanDerWaalsContact C-N 3.33Å; P19-S21 PolarHBondContact O-N 2.65Å
20	I	33.3	Very low	35.6	Very low	162 Å²	162	135.1 Å²	135.1	83%	0.831	77%	0.773	S	S	*	*			trans	-63.4	95.5	174.8	-59	163.6	0	0	0	106.6	C18	C18-I20 PolarHBondContact O-N 3.5Å
21	S	36.3	Very low	35.4	Very low	85 Å²	85	138.6 Å²	138.6	59%	0.594	78%	0.778	S	S	*	*			trans	-92.7	122.9	169.7	169.6	0	0	0	0	106.9	P19 D23	P19-S21 VanDerWaalsContact C-N 3.33Å; P19-S21 PolarHBondContact O-N 2.65Å; S21-D23 PolarHBondContact O-N 3.37Å
22	D	37.6	Very low	34.8	Very low	153 Å²	153	137 Å²	137	82%	0.818	78%	0.782	S	S	*	*	S	Bend	trans	-67.8	12.5	-177.8	-74	-36.5	0	0	0	114.2	E24	D22-E24 PolarHBondContact O-N 2.86Å
23	D	37.5	Very low	34.1	Very low	139 Å²	139	135.4 Å²	135.4	74%	0.743	78%	0.782	S	S	*	*			trans	-91.4	68.8	178.9	-69.3	-30.6	0	0	0	110.3	S21	S21-D23 PolarHBondContact O-N 3.37Å
24	E	29.9	Very low	34.1	Very low	179 Å²	179	136.8 Å²	136.8	84%	0.836	78%	0.784	S	S	*	*			trans	-62.7	128.9	164.4	-86.4	-167.7	158.8	0	0	109.5	D22 L26	D22-E24 PolarHBondContact O-N 2.86Å; E24-L26 PolarHBondContact O-N 2.96Å
25	P	30.9	Very low	33.7	Very low	90 Å²	90	142.7 Å²	142.7	58%	0.584	79%	0.792	S	S	*	*			trans	-65.3	126.4	-173.8	23.5	-31.8	0	0	0	111.3	Y27	P25-Y27 VanDerWaalsContact O-CD2 3.26Å; P25-Y27 WeakPolarHBondContact O-CD2 3.32Å; P25-Y27 PolarHBondContact O-N 2.83Å
26	L	30.7	Very low	33.4	Very low	167 Å²	167	141.8 Å²	141.8	87%	0.874	80%	0.797	S	S	*	*			trans	-55.5	104.8	170.4	-124.2	91.3	0	0	0	109.2	E24 T28	E24-L26 PolarHBondContact O-N 2.96Å; L26-T28 PolarHBondContact O-N 2.85Å; L26-T28 VanDerWaalsContact O-N 3.09Å
27	Y	32.1	Very low	33.1	Very low	206 Å²	206	139 Å²	139	81%	0.808	80%	0.795	S	S	*	*			trans	-71.7	104.6	172.3	-71.5	-87.1	0	0	0	109.2	P25 V29	P25-Y27 VanDerWaalsContact O-CD2 3.26Å; P25-Y27 WeakPolarHBondContact O-CD2 3.32Å; P25-Y27 PolarHBondContact O-N 2.83Å; Y27-V29 PolarHBondContact O-N 3.49Å
28	T	30.3	Very low	32.7	Very low	133 Å²	133	143.1 Å²	143.1	82%	0.816	80%	0.799	S	S	*	*			trans	-67.2	111.3	171.3	-41.4	0	0	0	0	109.1	L26 A30	L26-T28 PolarHBondContact O-N 2.85Å; L26-T28 VanDerWaalsContact O-N 3.09Å; T28-A30 PolarHBondContact O-N 3.29Å
29	V	28.5	Very low	32.5	Very low	133 Å²	133	141.7 Å²	141.7	81%	0.806	79%	0.79	S	S	*	*			trans	-63.4	115.9	172.3	177.8	0	0	0	0	108.4	Y27 K31	Y27-V29 PolarHBondContact O-N 3.49Å; V29-K31 PolarHBondContact O-N 2.91Å
30	A	29.8	Very low	32.1	Very low	92 Å²	92	144 Å²	144	76%	0.76	80%	0.796	S	S	*	*			trans	-62.3	119.1	175.1	0	0	0	0	0	109.8	T28 G32	T28-A30 PolarHBondContact O-N 3.29Å; A30-G32 PolarHBondContact O-N 3.07Å; A30-G32 VanDerWaalsContact O-N 3.1Å
31	K	32.6	Very low	32	Very low	208 Å²	208	141.1 Å²	141.1	90%	0.904	79%	0.791	S	S	*	*			trans	-64.1	108.3	165.7	-83.1	-176.7	174	178.9	0	107.7	V29 G33	V29-K31 PolarHBondContact O-N 2.91Å; K31-G33 PolarHBondContact O-N 3.4Å
32	G	30.4	Very low	31.5	Very low	80 Å²	80	142.5 Å²	142.5	83%	0.825	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-60.1	116.8	177.4	0	0	0	0	0	111	A30	A30-G32 PolarHBondContact O-N 3.07Å; A30-G32 VanDerWaalsContact O-N 3.1Å
33	G	27.3	Very low	31	Very low	73 Å²	73	142.1 Å²	142.1	75%	0.753	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-72.4	163.9	165.1	0	0	0	0	0	111.6	K31	K31-G33 PolarHBondContact O-N 3.4Å
34	E	34.1	Very low	30.7	Very low	187 Å²	187	139.2 Å²	139.2	87%	0.874	78%	0.782	S	S	*	*	S	Bend	trans	-52.9	130.5	-171	-65	175.3	160.3	0	0	114	S36	E34-S36 PolarHBondContact O-N 3.31Å
35	Y	32.8	Very low	30.8	Very low	241 Å²	241	142.3 Å²	142.3	95%	0.945	79%	0.787	S	S	*	*			trans	-5.9	98.6	166.9	-54.1	-86.4	0	0	0	117.1
36	S	34	Very low	30.8	Very low	114 Å²	114	141.3 Å²	141.3	80%	0.797	79%	0.793	S	S	*	*			trans	-125.3	129.4	158.9	176.5	0	0	0	0	110	E34	E34-S36 PolarHBondContact O-N 3.31Å
37	A	35.4	Very low	30.7	Very low	96 Å²	96	139 Å²	139	79%	0.793	79%	0.786	S	S	*	*			trans	-6.4	119	177	0	0	0	0	0	117.9	S39	A37-S39 PolarHBondContact O-N 3.3Å
38	R	31.3	Very low	30.6	Very low	238 Å²	238	137.6 Å²	137.6	90%	0.898	79%	0.786	S	S	*	*			trans	-47.8	118.8	168.7	-86.9	175.3	167.8	162.2	-4.1	111.3
39	S	30	Very low	30.5	Very low	83 Å²	83	135.1 Å²	135.1	58%	0.58	78%	0.775	S	S	*	*			trans	-78.5	121.9	158.8	149.9	0	0	0	0	108.3	A37 S41	A37-S39 PolarHBondContact O-N 3.3Å; S39-S41 PolarHBondContact O-N 3.46Å; S39-S41 PolarHBondContact OG-OG 2.82Å
40	D	29.3	Very low	30.5	Very low	164 Å²	164	134.4 Å²	134.4	88%	0.877	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	13.1	-178.5	-81.9	-23.1	0	0	0	114.1
41	S	31.3	Very low	30.4	Very low	102 Å²	102	138.2 Å²	138.2	71%	0.713	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	6.4	-173.8	59.5	0	0	0	0	115.5	S39	S39-S41 PolarHBondContact O-N 3.46Å; S39-S41 PolarHBondContact OG-OG 2.82Å
42	T	25.6	Very low	30.1	Very low	114 Å²	114	134.8 Å²	134.8	70%	0.699	77%	0.769	S	S	*	*			trans	-120	109.4	-178.8	-51.6	0	0	0	0	111.8	S44	T42-S44 PolarHBondContact O-N 3.02Å
43	I	27.5	Very low	30	Very low	146 Å²	146	135.5 Å²	135.5	75%	0.749	76%	0.761	S	S	*	*			trans	-62.1	101.5	165.8	-70.4	161.5	0	0	0	107.5	W45	I43-W45 PolarHBondContact O-N 3.49Å
44	S	31.9	Very low	30	Very low	77 Å²	77	136.5 Å²	136.5	54%	0.538	76%	0.757	S	S	.	*			trans	-70.9	118.5	171.8	178.6	0	0	0	0	109.4	T42 G46 T47	T42-S44 PolarHBondContact O-N 3.02Å; S44-G46 PolarHBondContact O-N 2.89Å; S44-T47 PolarHBondContact OG-OG1 3.37Å
45	W	31.4	Very low	29.7	Very low	244 Å²	244	137.5 Å²	137.5	92%	0.924	75%	0.753	S	S	*	*	S	Bend	trans	-77.1	76.4	167.8	-71.7	93.2	0	0	0	109.4	I43	I43-W45 PolarHBondContact O-N 3.49Å
46	G	29.9	Very low	29.5	Very low	69 Å²	69	133.9 Å²	133.9	71%	0.711	75%	0.75	S	S	*	*			trans	66.7	90.6	169.1	0	0	0	0	0	114.3	S44	S44-G46 PolarHBondContact O-N 2.89Å
47	T	29.2	Very low	29.4	Very low	118 Å²	118	134.9 Å²	134.9	72%	0.724	75%	0.746	S	S	*	*			trans	-82	140.8	157.7	-38.7	0	0	0	0	108.7	S44 S49	S44-T47 PolarHBondContact OG-OG1 3.37Å; T47-S49 PolarHBondContact O-N 2.78Å; T47-S49 VanDerWaalsContact O-N 3.14Å
48	E	29.4	Very low	29.3	Very low	177 Å²	177	135 Å²	135	83%	0.827	74%	0.741	S	S	*	*			trans	-53.8	108.4	174.5	-168.4	176.1	-163.7	0	0	110.5
49	S	28.9	Very low	29.7	Very low	81 Å²	81	126.8 Å²	126.8	57%	0.566	71%	0.714	S	S	*	*			trans	-80.4	119.4	163.8	53.1	0	0	0	0	107.3	T47 E51	T47-S49 PolarHBondContact O-N 2.78Å; T47-S49 VanDerWaalsContact O-N 3.14Å; S49-E51 PolarHBondContact O-N 2.76Å
50	S	28.7	Very low	30.3	Very low	118 Å²	118	133.1 Å²	133.1	83%	0.825	73%	0.725	S	S	*	*	S	Bend	trans	-65.4	15.5	-178	48.8	0	0	0	0	115.3	N52	S50-N52 PolarHBondContact O-N 3.05Å
51	E	28.6	Very low	31.3	Very low	172 Å²	172	127.3 Å²	127.3	80%	0.804	70%	0.696	S	S	*	*			trans	-80.8	69.4	166.9	-67.5	-168.5	170.1	0	0	109.8	S49 S53	S49-E51 PolarHBondContact O-N 2.76Å; E51-S53 PolarHBondContact O-N 3.14Å
52	N	24.7	Very low	32.3	Very low	136 Å²	136	124.1 Å²	124.1	73%	0.727	68%	0.676	S	S	*	*			trans	-62.7	81.7	160.4	-95.4	-27.8	0	0	0	108.9	S50 S54	S50-N52 PolarHBondContact O-N 3.05Å; N52-S54 PolarHBondContact O-N 3.15Å; N52-S54 PolarHBondContact OD1-OG 3.01Å
53	S	28.6	Very low	33.8	Very low	95 Å²	95	123.8 Å²	123.8	66%	0.664	67%	0.674	S	S	*	*			trans	-93.4	56.8	153.7	179.8	0	0	0	0	109.3	E51 R55	E51-S53 PolarHBondContact O-N 3.14Å; S53-R55 PolarHBondContact O-N 2.95Å
54	S	27.3	Very low	35.5	Very low	94 Å²	94	117 Å²	117	66%	0.657	64%	0.639	S	S	*	*			trans	-74.5	49.5	159.4	14.7	0	0	0	0	109.6	N52 N56	N52-S54 PolarHBondContact O-N 3.15Å; N52-S54 PolarHBondContact OD1-OG 3.01Å; S54-N56 PolarHBondContact O-N 3.24Å
55	R	27.4	Very low	36.7	Very low	208 Å²	208	115.3 Å²	115.3	79%	0.785	63%	0.626	S	S	*	*			trans	-74.6	116.9	155.2	-76.1	-175	179	177.1	1.1	104.6	S53 L57	S53-R55 PolarHBondContact O-N 2.95Å; R55-L57 PolarHBondContact O-N 3.39Å
56	N	28.5	Very low	37.6	Very low	165 Å²	165	108.1 Å²	108.1	88%	0.882	61%	0.611	S	S	*	*			trans	-46.1	88.4	160.5	-73.8	-40.9	0	0	0	107.8	S54 S58	S54-N56 PolarHBondContact O-N 3.24Å; N56-S58 PolarHBondContact O-N 3Å
57	L	33.3	Very low	39.1	Very low	136 Å²	136	110.8 Å²	110.8	71%	0.712	60%	0.599	S	S	*	*			trans	-67.9	96.2	167.4	-73.7	167.8	0	0	0	102.6	R55 I59	R55-L57 PolarHBondContact O-N 3.39Å; L57-I59 HydrophobicContact CB-CD1 4.46Å; L57-I59 HydrophobicContact CB-CG1 3.65Å; L57-I59 PolarHBondContact O-N 2.83Å
58	S	32.7	Very low	40.3	Very low	98 Å²	98	105.2 Å²	105.2	69%	0.685	57%	0.566	S	S	*	*			trans	-60.9	84.5	150.3	63.6	0	0	0	0	104.5	N56 R60	N56-S58 PolarHBondContact O-N 3Å; S58-R60 PolarHBondContact O-N 3.49Å
59	I	40.3	Very low	41.6	Very low	66 Å²	66	97.5 Å²	97.5	34%	0.338	53%	0.53	S	S	.	.			trans	-65.2	92.9	178.3	-60.7	171.3	0	0	0	104.1	L57 P61 D231	L57-I59 HydrophobicContact CB-CD1 4.46Å; L57-I59 HydrophobicContact CB-CG1 3.65Å; L57-I59 PolarHBondContact O-N 2.83Å; I59-P61 WeakPolarHBondContact O-CD 3.04Å; I59-D231 HydrophobicContact CG2-CB 4.1Å
60	R	41.1	Very low	42.5	Very low	215 Å²	215	100.4 Å²	100.4	81%	0.811	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-67.6	122.4	169.8	-73.8	-171.1	179.7	-172.9	0.5	105.4	S58 A62	S58-R60 PolarHBondContact O-N 3.49Å; R60-A62 PolarHBondContact O-N 3.14Å
61	P	51.3	Low	42.8	Very low	43 Å²	43	100 Å²	100	28%	0.279	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-55.2	142.9	174	17.1	-26.5	0	0	0	109.5	I59 V63 N230 R328	I59-P61 WeakPolarHBondContact O-CD 3.04Å; P61-V63 PolarHBondContact O-N 3.19Å; P61-N230 WeakPolarHBondContact CB-O 3.44Å; P61-R328 VanDerWaalsContact CG-NH1 3.33Å
62	A	51.8	Low	42.9	Very low	35 Å²	35	97 Å²	97	29%	0.289	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-58.8	124.4	174.9	0	0	0	0	0	109.2	R60 L270	R60-A62 PolarHBondContact O-N 3.14Å; A62-L270 HydrophobicContact CB-CD1 4.45Å; A62-L270 HydrophobicContact CB-CD2 3.44Å; A62-L270 VanDerWaalsContact CB-CD2 3.44Å
63	V	57.8	Low	43.2	Very low	107 Å²	107	98.1 Å²	98.1	65%	0.648	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-84.6	133.3	171.9	-177.2	0	0	0	0	107.1	P61	P61-V63 PolarHBondContact O-N 3.19Å
64	Y	62.5	Low	43.1	Very low	2 Å²	2	99.1 Å²	99.1	1%	0.008	53%	0.526	C	S	.	.	P	Polyproline II helix	trans	-60.1	139.9	175.5	-61.1	-34.3	0	0	0	109.4	L270 E272 I273 E325 L326 Q329 M340 L343	Y64-L270 HydrophobicContact CD1-CD1 4.15Å; Y64-L270 HydrophobicContact CE1-CD1 4.04Å; Y64-E272 VanDerWaalsContact OH-CG 3.32Å; Y64-E272 WeakPolarHBondContact OH-CG 3.18Å; Y64-I273 HydrophobicContact CD1-CD1 3.76Å; Y64-I273 HydrophobicContact CE1-CD1 3.22Å; Y64-I273 HydrophobicContact CE1-CG1 4.14Å; Y64-E325 HydrophobicContact CD2-CG 4Å; Y64-E325 HydrophobicContact CE1-CG 4.08Å; Y64-E325 HydrophobicContact CE2-CB 3.93Å; Y64-E325 HydrophobicContact CE2-CG 3.24Å; Y64-E325 WeakPolarHBondContact OH-CG 3.46Å; Y64-L326 HydrophobicContact CD2-CD2 4.35Å; Y64-L326 HydrophobicContact CE2-CD2 4.22Å; Y64-Q329 VanDerWaalsContact CG-NE2 3.32Å; Y64-M340 HydrophobicContact CE2-CE 4Å; Y64-L343 HydrophobicContact CD1-CD1 4.27Å; Y64-L343 HydrophobicContact CD2-CD1 3.94Å; Y64-L343 HydrophobicContact CE2-CD1 4.21Å; Y64-L343 HydrophobicContact CG-CD1 3.96Å
65	P	57.8	Low	43	Very low	43 Å²	43	99.3 Å²	99.3	28%	0.279	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-62.3	142	-173	26.5	-35.8	0	0	0	110.5	W67 A68 L343	P65-W67 HydrophobicContact CB-CG 4.38Å; P65-W67 HydrophobicContact CB-CZ2 4.45Å; P65-W67 HydrophobicContact CG-CD2 4.3Å; P65-W67 VanDerWaalsContact CG-CE2 3.44Å; P65-W67 HydrophobicContact CG-CZ2 3.56Å; P65-W67 VanDerWaalsContact CG-NE1 3.35Å; P65-W67 PolarHBondContact O-N 3.37Å; P65-A68 HydrophobicContact CG-CB 4.29Å; P65-A68 WeakPolarHBondContact O-CB 3.02Å; P65-A68 PolarHBondContact O-N 3.02Å; P65-L343 HydrophobicContact CG-CD2 4.31Å
66	P	51.1	Low	42.8	Very low	93 Å²	93	99.2 Å²	99.2	60%	0.604	53%	0.533	S	S	*	.	H	α-helix	trans	-55.5	-30.9	-174.2	-27.8	34	0	0	0	114.2	A68 T69 H70	P66-A68 PolarHBondContact O-N 3.26Å; P66-T69 PolarHBondContact O-N 2.71Å; P66-T69 PolarHBondContact O-OG1 2.91Å; P66-H70 WeakPolarHBondContact O-CA 3.49Å; P66-H70 WeakPolarHBondContact O-CB 3.36Å; P66-H70 PolarHBondContact O-N 3.47Å
67	W	61.3	Low	42.7	Very low	124 Å²	124	98.3 Å²	98.3	47%	0.47	53%	0.528	S	S	.	.	H	α-helix	trans	-65.6	-23.7	178.9	63.5	-103.5	0	0	0	113.5	P65 K342 A346	P65-W67 HydrophobicContact CB-CG 4.38Å; P65-W67 HydrophobicContact CB-CZ2 4.45Å; P65-W67 HydrophobicContact CG-CD2 4.3Å; P65-W67 VanDerWaalsContact CG-CE2 3.44Å; P65-W67 HydrophobicContact CG-CZ2 3.56Å; P65-W67 VanDerWaalsContact CG-NE1 3.35Å; P65-W67 PolarHBondContact O-N 3.37Å; W67-K342 HydrophobicContact CZ3-CB 4.03Å; W67-A346 HydrophobicContact CH2-CB 3.37Å; W67-A346 HydrophobicContact CZ2-CB 3.94Å; W67-A346 HydrophobicContact CZ3-CB 4.32Å
68	A	53.2	Low	42.3	Very low	2 Å²	2	98.7 Å²	98.7	2%	0.017	53%	0.531	C	S	.	.	H	α-helix	trans	-79.2	-36.5	176.7	0	0	0	0	0	111.2	P65 P66 V339 L343	P65-A68 HydrophobicContact CG-CB 4.29Å; P65-A68 WeakPolarHBondContact O-CB 3.02Å; P65-A68 PolarHBondContact O-N 3.02Å; P66-A68 PolarHBondContact O-N 3.26Å; A68-V339 HydrophobicContact CB-CG1 4.34Å; A68-V339 VanDerWaalsContact O-CG2 3.29Å; A68-V339 WeakPolarHBondContact O-CG2 3.38Å; A68-L343 HydrophobicContact CB-CD2 3.56Å; A68-L343 HydrophobicContact CB-CG 3.82Å
69	T	56.2	Low	42	Very low	14 Å²	14	98.5 Å²	98.5	9%	0.086	54%	0.535	C	S	.	.	H	α-helix	trans	-94.4	-22	-176.7	52.9	0	0	0	0	114	P66 V331 V339	P66-T69 PolarHBondContact O-N 2.71Å; P66-T69 PolarHBondContact O-OG1 2.91Å; T69-V331 HydrophobicContact CG2-CG2 3.86Å; T69-V339 HydrophobicContact CG2-CG1 4.09Å
70	H	49.2	Very low	41.3	Very low	143 Å²	143	103 Å²	103	66%	0.662	56%	0.555	S	S	*	*	S	Bend	trans	-130.2	112.8	178.7	-58.6	-72.5	0	0	0	110	P66	P66-H70 WeakPolarHBondContact O-CA 3.49Å; P66-H70 WeakPolarHBondContact O-CB 3.36Å; P66-H70 PolarHBondContact O-N 3.47Å
71	L	35	Very low	40.7	Very low	108 Å²	108	101.8 Å²	101.8	57%	0.565	56%	0.558	S	S	*	*			trans	-131.8	147.6	157.5	-91.9	161.6	0	0	0	107.3	K342	L71-K342 HydrophobicContact CD1-CD 4.16Å
72	P	30.6	Very low	39.4	Very low	110 Å²	110	103.1 Å²	103.1	71%	0.714	58%	0.58	S	S	*	*			cis	-113.4	149.6	7.6	26.6	-7.6	0	0	0	113.6	T74	P72-T74 PolarHBondContact O-N 3.35Å
73	L	30.7	Very low	38.2	Very low	159 Å²	159	110 Å²	110	83%	0.832	61%	0.605	S	S	*	*			trans	-52.4	124	160.5	-73.7	159.2	0	0	0	107.3
74	T	26.2	Very low	36.5	Very low	117 Å²	117	112.4 Å²	112.4	72%	0.718	61%	0.614	S	S	*	*			trans	14.4	111	164.1	50.9	0	0	0	0	114.4	P72 F76	P72-T74 PolarHBondContact O-N 3.35Å; T74-F76 PolarHBondContact O-N 3.26Å
75	S	24.3	Very low	34.8	Very low	98 Å²	98	120.2 Å²	120.2	69%	0.685	65%	0.654	S	S	*	*			trans	-34.1	121	149.7	-58.8	0	0	0	0	107.2	N77	S75-N77 PolarHBondContact O-N 3.14Å
76	F	24.8	Very low	33	Very low	206 Å²	206	128.4 Å²	128.4	90%	0.904	68%	0.68	S	S	*	*			trans	-55.3	88.4	164.1	-80.4	-96.2	0	0	0	105.2	T74 N78	T74-F76 PolarHBondContact O-N 3.26Å; F76-N78 VanDerWaalsContact C-N 3.35Å; F76-N78 PolarHBondContact O-N 3.16Å
77	N	25.7	Very low	31.7	Very low	145 Å²	145	131.1 Å²	131.1	78%	0.775	69%	0.689	S	S	*	*			trans	-64	110.4	168.8	-87.2	-10.6	0	0	0	103	S75 A79	S75-N77 PolarHBondContact O-N 3.14Å; N77-A79 VanDerWaalsContact C-N 3.29Å; N77-A79 PolarHBondContact O-N 3.39Å
78	N	24.8	Very low	30.1	Very low	144 Å²	144	130.7 Å²	130.7	77%	0.77	71%	0.705	S	S	*	*			trans	-28.8	94.9	161.7	-66	-19.8	0	0	0	109.6	F76 E80	F76-N78 VanDerWaalsContact C-N 3.35Å; F76-N78 PolarHBondContact O-N 3.16Å; N78-E80 PolarHBondContact O-N 3.48Å
79	A	26	Very low	28.6	Very low	95 Å²	95	139.3 Å²	139.3	79%	0.785	75%	0.745	S	S	*	*			trans	-80.4	70.9	159.2	0	0	0	0	0	105.3	N77 H81	N77-A79 VanDerWaalsContact C-N 3.29Å; N77-A79 PolarHBondContact O-N 3.39Å; A79-H81 PolarHBondContact O-N 3.14Å
80	E	26.4	Very low	27.3	Very low	159 Å²	159	146 Å²	146	74%	0.743	78%	0.78	S	S	*	*			trans	-62.3	89.7	150.4	-72.7	-177.2	172.9	0	0	105.7	N78	N78-E80 PolarHBondContact O-N 3.48Å
81	H	27.5	Very low	26.1	Very low	191 Å²	191	147 Å²	147	88%	0.884	79%	0.79	S	S	*	*			trans	177	115.7	153	-83.5	-23.5	0	0	0	109.1	A79	A79-H81 PolarHBondContact O-N 3.14Å
82	G	25.3	Very low	25.7	Very low	71 Å²	71	149 Å²	149	73%	0.732	80%	0.802	S	S	*	*			trans	124.3	88.7	154.2	0	0	0	0	0	116.2
83	E	25.4	Very low	25.5	Very low	178 Å²	178	152.3 Å²	152.3	83%	0.832	81%	0.808	S	S	*	*			trans	60.8	99.2	130.7	-62.6	-175	156.6	0	0	120.4	I85	E83-I85 PolarHBondContact O-N 2.94Å
84	L	22.2	Very low	25.4	Very low	158 Å²	158	151.8 Å²	151.8	83%	0.827	81%	0.805	S	S	*	*				35.7	84.8	119.2	-65.5	169.5	0	0	0	117.3
85	I	27.2	Very low	25.6	Very low	167 Å²	167	152 Å²	152	86%	0.856	80%	0.802	S	S	*	*			trans	-119.8	96.4	149.6	-59.2	-179.8	0	0	0	107.8	E83	E83-I85 PolarHBondContact O-N 2.94Å
86	R	20.5	Very low	26	Very low	215 Å²	215	152.1 Å²	152.1	81%	0.811	80%	0.802	S	S	*	*			trans	-69.5	124.7	159.1	-71.8	177.5	179.6	-172.6	-0.7	107.3
87	N	24.2	Very low	26.6	Very low	149 Å²	149	146.4 Å²	146.4	80%	0.797	79%	0.788	S	S	*	*			trans	166.2	150.7	131.9	-81.2	-20	0	0	0	111.8
88	S	26.3	Very low	27.5	Very low	115 Å²	115	141.7 Å²	141.7	80%	0.804	77%	0.767	S	S	*	*			trans	70.5	104.1	172.5	63.2	0	0	0	0	118.7
89	Q	23.3	Very low	28.3	Very low	184 Å²	184	139.2 Å²	139.2	86%	0.86	75%	0.747	S	S	*	*			trans	-52	126.8	152.1	-67	157.5	-65.3	0	0	110.5
90	D	28.1	Very low	29.7	Very low	155 Å²	155	136.3 Å²	136.3	83%	0.829	73%	0.726	S	S	*	*			trans	-159	127.7	142.2	-92	-30.9	0	0	0	108.6	D92	D90-D92 PolarHBondContact O-N 3.23Å
91	N	24.1	Very low	31.8	Very low	162 Å²	162	133.7 Å²	133.7	87%	0.866	72%	0.717	S	S	*	*			trans	-87.1	74.1	-161.2	-70.3	-44.2	0	0	0	113.6
92	D	25.3	Very low	34.1	Very low	152 Å²	152	125.4 Å²	125.4	81%	0.813	68%	0.679	S	S	*	*			trans	-120.9	23.9	178.7	-88.5	-26.7	0	0	0	115	D90	D90-D92 PolarHBondContact O-N 3.23Å
93	E	27.2	Very low	36.7	Very low	179 Å²	179	124.7 Å²	124.7	84%	0.836	66%	0.661	S	S	*	*			trans	-94.1	-8.5	-170.4	-74.4	-158.2	152.8	0	0	118.5
94	D	28.4	Very low	39.5	Very low	147 Å²	147	122.6 Å²	122.6	79%	0.786	65%	0.651	S	S	*	*	S	Bend	trans	-99.8	-4.3	-170.9	-87.6	-25.8	0	0	0	117.5
95	L	29.8	Very low	42.4	Very low	123 Å²	123	120.5 Å²	120.5	64%	0.644	63%	0.632	S	S	*	*	H	α-helix	trans	-84.7	-27.4	-177	-81.6	159	0	0	0	114	Y99	L95-Y99 HydrophobicContact CB-CE2 4.45Å; L95-Y99 WeakPolarHBondContact O-CD2 3.43Å
96	S	33.6	Very low	45	Very low	99 Å²	99	112.6 Å²	112.6	69%	0.692	59%	0.592	S	S	*	*	H	α-helix	trans	-73.7	-31.7	-171.9	81.3	0	0	0	0	114.1	S98 Y99	S96-S98 PolarHBondContact O-N 3.01Å; S96-Y99 PolarHBondContact O-N 3.03Å
97	S	38.2	Very low	48.1	Very low	86 Å²	86	103 Å²	103	60%	0.601	56%	0.557	S	S	*	*	H	α-helix	trans	-65.3	-38.9	-177.3	68.4	0	0	0	0	112.2	Y99	S97-Y99 PolarHBondContact O-N 3.06Å
98	S	43	Very low	51	Low	47 Å²	47	98.5 Å²	98.5	33%	0.329	54%	0.538	S	S	.	.	H	α-helix	trans	-66.5	-36.4	179	176.3	0	0	0	0	113.3	S96 D101 I102 R353	S96-S98 PolarHBondContact O-N 3.01Å; S98-D101 PolarHBondContact O-N 3.02Å; S98-I102 PolarHBondContact O-N 3.38Å; S98-R353 PolarHBondContact OG-NH1 3.48Å
99	Y	41.9	Very low	53.7	Low	91 Å²	91	93.4 Å²	93.4	36%	0.357	50%	0.502	S	S	.	.	H	α-helix	trans	-69.7	-38.5	-176.8	-77.4	-72.7	0	0	0	112.8	L95 S96 S97 D101 T103	L95-Y99 HydrophobicContact CB-CE2 4.45Å; L95-Y99 WeakPolarHBondContact O-CD2 3.43Å; S96-Y99 PolarHBondContact O-N 3.03Å; S97-Y99 PolarHBondContact O-N 3.06Å; Y99-D101 VanDerWaalsContact C-N 3.29Å; Y99-D101 PolarHBondContact O-N 3Å; Y99-T103 PolarHBondContact O-N 3.41Å; Y99-T103 PolarHBondContact O-OG1 3.25Å
100	G	55.3	Low	56.5	Low	34 Å²	34	84.7 Å²	84.7	35%	0.351	46%	0.461	S	S	.	.	H	α-helix	trans	-59.6	-42.5	175.4	0	0	0	0	0	111.6	Q104	G100-Q104 WeakPolarHBondContact O-CB 3.18Å; G100-Q104 WeakPolarHBondContact O-CG 3.44Å; G100-Q104 PolarHBondContact O-N 2.77Å; G100-Q104 VanDerWaalsContact O-N 3.15Å
101	D	71.1	Confident	59.3	Low	104 Å²	104	79 Å²	79	56%	0.556	43%	0.429	S	S	*	.	H	α-helix	trans	-67.4	-48	-174.7	-170.4	19.4	0	0	0	112.8	S98 Y99 T103 Q104 R105	S98-D101 PolarHBondContact O-N 3.02Å; Y99-D101 VanDerWaalsContact C-N 3.29Å; Y99-D101 PolarHBondContact O-N 3Å; D101-T103 PolarHBondContact O-N 2.9Å; D101-Q104 PolarHBondContact O-N 2.95Å; D101-R105 VanDerWaalsContact O-CB 3.28Å; D101-R105 WeakPolarHBondContact O-CB 3.2Å; D101-R105 PolarHBondContact O-N 3.08Å
102	I	76.4	Confident	62.2	Low	17 Å²	17	77.1 Å²	77.1	9%	0.087	41%	0.413	C	S	.	.	H	α-helix	trans	-64.9	-43.5	-177.9	-64.9	165.9	0	0	0	111.6	S98 R105 I106 R353 Y570	S98-I102 PolarHBondContact O-N 3.38Å; I102-R105 PolarHBondContact O-N 3.37Å; I102-I106 HydrophobicContact CG2-CD1 3.66Å; I102-I106 HydrophobicContact CG2-CG1 4.41Å; I102-I106 WeakPolarHBondContact O-CD1 3.45Å; I102-I106 VanDerWaalsContact O-CG1 3.24Å; I102-I106 WeakPolarHBondContact O-CG1 3.38Å; I102-I106 PolarHBondContact O-N 3.27Å; I102-R353 HydrophobicContact CD1-CG 4.15Å; I102-R353 VanDerWaalsContact CD1-NH1 3.3Å; I102-R353 HydrophobicContact CG2-CB 4.17Å; I102-Y570 HydrophobicContact CG2-CE1 4.38Å
103	T	80.3	Confident	64.8	Low	56 Å²	56	71.5 Å²	71.5	34%	0.344	38%	0.383	S	S	.	.	H	α-helix	trans	-65.9	-42.1	-179	-53.2	0	0	0	0	110.9	Y99 D101 I106 C107 V345	Y99-T103 PolarHBondContact O-N 3.41Å; Y99-T103 PolarHBondContact O-OG1 3.25Å; D101-T103 PolarHBondContact O-N 2.9Å; T103-I106 PolarHBondContact O-N 3.47Å; T103-C107 PolarHBondContact O-N 2.99Å; T103-C107 PolarHBondContact O-SG 3.26Å; T103-V345 HydrophobicContact CG2-CG1 3.92Å
104	Q	82.6	Confident	67.3	Low	134 Å²	134	64.2 Å²	64.2	63%	0.626	35%	0.348	S	S	*	.	H	α-helix	trans	-63.2	-45.5	175.2	-74.1	177.4	8.8	0	0	111.3	G100 D101 I106 C107 S108	G100-Q104 WeakPolarHBondContact O-CB 3.18Å; G100-Q104 WeakPolarHBondContact O-CG 3.44Å; G100-Q104 PolarHBondContact O-N 2.77Å; G100-Q104 VanDerWaalsContact O-N 3.15Å; D101-Q104 PolarHBondContact O-N 2.95Å; Q104-I106 VanDerWaalsContact C-N 3.34Å; Q104-I106 PolarHBondContact O-N 3.06Å; Q104-C107 WeakPolarHBondContact O-CB 3.41Å; Q104-C107 PolarHBondContact O-N 2.73Å; Q104-C107 VanDerWaalsContact O-N 3.16Å; Q104-S108 PolarHBondContact O-N 2.62Å; Q104-S108 PolarHBondContact O-OG 2.91Å
105	R	83.6	Confident	70	Confident	115 Å²	115	61.8 Å²	61.8	43%	0.434	33%	0.328	S	S	.	.	H	α-helix	trans	-56.6	-46.1	176	-177.6	174.1	-178	166.6	2.5	112.2	D101 I102 C107 S108 D109 Y570	D101-R105 VanDerWaalsContact O-CB 3.28Å; D101-R105 WeakPolarHBondContact O-CB 3.2Å; D101-R105 PolarHBondContact O-N 3.08Å; I102-R105 PolarHBondContact O-N 3.37Å; R105-C107 PolarHBondContact O-N 3.18Å; R105-S108 WeakPolarHBondContact O-CB 3Å; R105-S108 PolarHBondContact O-N 2.98Å; R105-D109 WeakPolarHBondContact O-CB 3.32Å; R105-D109 PolarHBondContact O-N 2.89Å; R105-Y570 VanDerWaalsContact CZ-CD2 3.47Å
106	I	81.7	Confident	72.4	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-64	-41.3	177.8	-69.1	165.1	0	0	0	111.2	I102 T103 Q104 S108 D109 L110 V345 P352 M356 F577	I102-I106 HydrophobicContact CG2-CD1 3.66Å; I102-I106 HydrophobicContact CG2-CG1 4.41Å; I102-I106 WeakPolarHBondContact O-CD1 3.45Å; I102-I106 VanDerWaalsContact O-CG1 3.24Å; I102-I106 WeakPolarHBondContact O-CG1 3.38Å; I102-I106 PolarHBondContact O-N 3.27Å; T103-I106 PolarHBondContact O-N 3.47Å; Q104-I106 VanDerWaalsContact C-N 3.34Å; Q104-I106 PolarHBondContact O-N 3.06Å; I106-S108 VanDerWaalsContact C-N 3.32Å; I106-S108 PolarHBondContact O-N 3.4Å; I106-D109 PolarHBondContact O-N 3.42Å; I106-L110 HydrophobicContact CG2-CD1 3.98Å; I106-L110 HydrophobicContact CG2-CG 4.45Å; I106-L110 WeakPolarHBondContact O-CB 3.4Å; I106-L110 WeakPolarHBondContact O-CG 3.3Å; I106-L110 PolarHBondContact O-N 3.13Å; I106-V345 HydrophobicContact CG2-CG2 4.12Å; I106-P352 HydrophobicContact CD1-CB 3.29Å; I106-P352 HydrophobicContact CD1-CG 4.42Å; I106-P352 HydrophobicContact CG2-CB 4.27Å; I106-M356 HydrophobicContact CD1-SD 3.49Å; I106-M356 WeakPolarHBondContact CD1-SD 3.46Å; I106-M356 HydrophobicContact CG1-SD 4.05Å; I106-F577 HydrophobicContact CD1-CZ 4.45Å; I106-F577 HydrophobicContact CG2-CD2 4.49Å; I106-F577 HydrophobicContact CG2-CE2 3.74Å; I106-F577 HydrophobicContact CG2-CZ 4.34Å
107	C	85.3	Confident	74.3	Confident	13 Å²	13	60 Å²	60	9%	0.088	30%	0.303	C	S	.	.	H	α-helix	trans	-60	-44.6	173.6	-67	0	0	0	0	111.1	T103 Q104 R105 E111 A341 K342	T103-C107 PolarHBondContact O-N 2.99Å; T103-C107 PolarHBondContact O-SG 3.26Å; Q104-C107 WeakPolarHBondContact O-CB 3.41Å; Q104-C107 PolarHBondContact O-N 2.73Å; Q104-C107 VanDerWaalsContact O-N 3.16Å; R105-C107 PolarHBondContact O-N 3.18Å; C107-E111 VanDerWaalsContact O-CB 3.26Å; C107-E111 WeakPolarHBondContact O-CB 3.47Å; C107-E111 PolarHBondContact O-N 2.95Å; C107-A341 HydrophobicContact CB-CB 4.47Å; C107-A341 WeakPolarHBondContact O-CB 3.32Å; C107-K342 HydrophobicContact CB-CG 4.41Å
108	S	85.5	Confident	76.1	Confident	55 Å²	55	57.1 Å²	57.1	39%	0.385	28%	0.283	S	S	.	.	H	α-helix	trans	-64.8	-37.7	177.3	-62.7	0	0	0	0	112.9	Q104 R105 I106 E111 K112	Q104-S108 PolarHBondContact O-N 2.62Å; Q104-S108 PolarHBondContact O-OG 2.91Å; R105-S108 WeakPolarHBondContact O-CB 3Å; R105-S108 PolarHBondContact O-N 2.98Å; I106-S108 VanDerWaalsContact C-N 3.32Å; I106-S108 PolarHBondContact O-N 3.4Å; S108-E111 WeakPolarHBondContact O-CB 3.49Å; S108-E111 PolarHBondContact O-N 3.39Å; S108-K112 VanDerWaalsContact O-CG 3.29Å; S108-K112 WeakPolarHBondContact O-CG 3.4Å; S108-K112 PolarHBondContact O-N 3.25Å
109	D	83.5	Confident	77.7	Confident	9 Å²	9	57.9 Å²	57.9	5%	0.048	29%	0.292	C	S	.	.	H	α-helix	trans	-72.9	-41.5	179.9	-77	-9.8	0	0	0	111.4	R105 I106 E111 K112 L113 M571	R105-D109 WeakPolarHBondContact O-CB 3.32Å; R105-D109 PolarHBondContact O-N 2.89Å; I106-D109 PolarHBondContact O-N 3.42Å; D109-E111 VanDerWaalsContact C-N 3.34Å; D109-K112 PolarHBondContact O-N 2.96Å; D109-K112 IonicContact OD1-NZ 3.96Å; D109-K112 PolarHBondContact OD1-NZ 3.31Å; D109-L113 WeakPolarHBondContact O-CG 3.39Å; D109-L113 PolarHBondContact O-N 2.92Å; D109-M571 HydrophobicContact CB-SD 3.4Å; D109-M571 WeakPolarHBondContact CB-SD 3.45Å
110	L	81.8	Confident	78.7	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.5	-41.7	169.3	-75.5	169.8	0	0	0	111.9	I106 K112 L113 W114 A341 V345	I106-L110 HydrophobicContact CG2-CD1 3.98Å; I106-L110 HydrophobicContact CG2-CG 4.45Å; I106-L110 WeakPolarHBondContact O-CB 3.4Å; I106-L110 WeakPolarHBondContact O-CG 3.3Å; I106-L110 PolarHBondContact O-N 3.13Å; L110-K112 PolarHBondContact O-N 3.04Å; L110-L113 PolarHBondContact O-N 3.23Å; L110-W114 PolarHBondContact O-N 3.23Å; L110-A341 HydrophobicContact CB-CB 4.12Å; L110-V345 HydrophobicContact CD1-CG2 3.47Å; L110-V345 VanDerWaalsContact CD1-CG2 3.47Å
111	E	86	Confident	79	Confident	35 Å²	35	57.8 Å²	57.8	16%	0.164	29%	0.29	C	S	.	.	H	α-helix	trans	-58.9	-46.9	174.9	-177.7	-174	157.6	0	0	111.2	C107 S108 D109 L113 W114 R115 F337 S338 A341	C107-E111 VanDerWaalsContact O-CB 3.26Å; C107-E111 WeakPolarHBondContact O-CB 3.47Å; C107-E111 PolarHBondContact O-N 2.95Å; S108-E111 WeakPolarHBondContact O-CB 3.49Å; S108-E111 PolarHBondContact O-N 3.39Å; D109-E111 VanDerWaalsContact C-N 3.34Å; E111-L113 PolarHBondContact O-N 3.08Å; E111-W114 PolarHBondContact O-N 2.96Å; E111-R115 WeakPolarHBondContact O-CB 3.37Å; E111-R115 WeakPolarHBondContact O-CG 3.42Å; E111-R115 PolarHBondContact O-N 3.16Å; E111-R115 IonicContact OE1-CZ 2.64Å; E111-R115 VanDerWaalsContact OE1-CZ 3.26Å; E111-R115 IonicContact OE1-NE 3.33Å; E111-R115 PolarHBondContact OE1-NE 3.21Å; E111-R115 IonicContact OE1-NH2 3.57Å; E111-R115 PolarHBondContact OE1-NH2 3.06Å; E111-F337 HydrophobicContact CG-CB 3.76Å; E111-S338 WeakPolarHBondContact OE2-CA 3.28Å; E111-S338 WeakPolarHBondContact OE2-CB 3.18Å; E111-S338 PolarHBondContact OE2-OG 3.41Å; E111-A341 HydrophobicContact CB-CB 4.38Å
112	K	84.9	Confident	78.3	Confident	124 Å²	124	55.6 Å²	55.6	54%	0.539	29%	0.287	S	S	.	.	H	α-helix	trans	-61	-43.2	176.3	-73.5	168.9	-168.9	163.1	0	112	S108 D109 L110 R115 K116	S108-K112 VanDerWaalsContact O-CG 3.29Å; S108-K112 WeakPolarHBondContact O-CG 3.4Å; S108-K112 PolarHBondContact O-N 3.25Å; D109-K112 PolarHBondContact O-N 2.96Å; D109-K112 IonicContact OD1-NZ 3.96Å; D109-K112 PolarHBondContact OD1-NZ 3.31Å; L110-K112 PolarHBondContact O-N 3.04Å; K112-R115 PolarHBondContact O-N 3.28Å; K112-K116 WeakPolarHBondContact O-CB 3.46Å; K112-K116 PolarHBondContact O-N 2.88Å
113	L	79.9	Confident	76.9	Confident	34 Å²	34	57.9 Å²	57.9	18%	0.178	31%	0.305	C	S	.	.	H	α-helix	trans	-57.6	-50.6	176.5	-75.5	173	0	0	0	110.8	D109 L110 E111 R115 K116 E117 M571 C574	D109-L113 WeakPolarHBondContact O-CG 3.39Å; D109-L113 PolarHBondContact O-N 2.92Å; L110-L113 PolarHBondContact O-N 3.23Å; E111-L113 PolarHBondContact O-N 3.08Å; L113-R115 PolarHBondContact O-N 3.41Å; L113-K116 WeakPolarHBondContact O-CB 3.49Å; L113-K116 PolarHBondContact O-N 3.09Å; L113-K116 VanDerWaalsContact O-N 3.14Å; L113-E117 WeakPolarHBondContact O-CG 3.44Å; L113-E117 PolarHBondContact O-N 3.14Å; L113-M571 HydrophobicContact CD1-CE 4.16Å; L113-M571 HydrophobicContact CD2-CE 3.56Å; L113-M571 HydrophobicContact CG-CE 3.6Å; L113-C574 HydrophobicContact CD1-CB 4.49Å
114	W	81.4	Confident	75.3	Confident	25 Å²	25	60.2 Å²	60.2	10%	0.095	31%	0.311	C	S	.	.	H	α-helix	trans	-70.3	-30.9	-177.7	-63.5	-20.3	0	0	0	114.1	L110 E111 E117 S118 F337 M340 A341 H344	L110-W114 PolarHBondContact O-N 3.23Å; E111-W114 PolarHBondContact O-N 2.96Å; W114-E117 VanDerWaalsContact CD1-OE2 3.26Å; W114-S118 WeakPolarHBondContact O-CB 3.5Å; W114-S118 PolarHBondContact O-N 2.6Å; W114-S118 PolarHBondContact O-OG 2.87Å; W114-F337 HydrophobicContact CB-CD1 3.57Å; W114-F337 HydrophobicContact CB-CE1 3.97Å; W114-F337 HydrophobicContact CE3-CD1 4.44Å; W114-M340 HydrophobicContact CE3-CB 4.19Å; W114-M340 HydrophobicContact CH2-CB 4.24Å; W114-M340 HydrophobicContact CZ3-CB 3.45Å; W114-M340 VanDerWaalsContact CZ3-CB 3.45Å; W114-A341 HydrophobicContact CE3-CB 4.32Å; W114-A341 HydrophobicContact CH2-CB 4.29Å; W114-A341 HydrophobicContact CZ3-CB 3.77Å; W114-H344 HydrophobicContact CH2-CB 4.07Å; W114-H344 AromaticContact CH2-CG 3.78Å; W114-H344 AromaticContact CH2-ND1 3.49Å; W114-H344 WeakPolarHBondContact CH2-ND1 3.45Å
115	R	83.9	Confident	73.4	Confident	96 Å²	96	60.9 Å²	60.9	36%	0.362	31%	0.309	S	S	.	.	H	α-helix	trans	-62.7	-44.9	169.5	-74.9	-179.7	-173.6	-74.6	0.4	110.8	E111 K112 L113 S118 A119 E334 F337	E111-R115 WeakPolarHBondContact O-CB 3.37Å; E111-R115 WeakPolarHBondContact O-CG 3.42Å; E111-R115 PolarHBondContact O-N 3.16Å; E111-R115 IonicContact OE1-CZ 2.64Å; E111-R115 VanDerWaalsContact OE1-CZ 3.26Å; E111-R115 IonicContact OE1-NE 3.33Å; E111-R115 PolarHBondContact OE1-NE 3.21Å; E111-R115 IonicContact OE1-NH2 3.57Å; E111-R115 PolarHBondContact OE1-NH2 3.06Å; K112-R115 PolarHBondContact O-N 3.28Å; L113-R115 PolarHBondContact O-N 3.41Å; R115-S118 PolarHBondContact O-N 2.8Å; R115-A119 WeakPolarHBondContact O-CB 3.46Å; R115-A119 PolarHBondContact O-N 2.95Å; R115-E334 PolarHBondContact NH2-O 3.16Å; R115-F337 HydrophobicContact CG-CB 4.24Å; R115-F337 HydrophobicContact CG-CD2 3.6Å; R115-F337 HydrophobicContact CG-CE2 4.11Å; R115-F337 HydrophobicContact CG-CG 3.93Å
116	K	80	Confident	71.5	Confident	145 Å²	145	63.5 Å²	63.5	63%	0.63	33%	0.327	S	S	*	.	H	α-helix	trans	-63.4	-47.5	177	-174.6	-178.9	176.8	-176	0	111.6	K112 L113 S118 A119 C120	K112-K116 WeakPolarHBondContact O-CB 3.46Å; K112-K116 PolarHBondContact O-N 2.88Å; L113-K116 WeakPolarHBondContact O-CB 3.49Å; L113-K116 PolarHBondContact O-N 3.09Å; L113-K116 VanDerWaalsContact O-N 3.14Å; K116-S118 VanDerWaalsContact C-N 3.33Å; K116-S118 PolarHBondContact O-N 3.27Å; K116-A119 PolarHBondContact O-N 3.25Å; K116-C120 PolarHBondContact O-N 2.83Å; K116-C120 PolarHBondContact O-SG 2.7Å; K116-C120 VanDerWaalsContact O-SG 3.42Å
117	E	73.4	Confident	69.2	Low	41 Å²	41	70.3 Å²	70.3	19%	0.192	36%	0.363	C	S	.	.	H	α-helix	trans	-59	-43.1	177.2	-72.8	165.2	-166.9	0	0	111.9	L113 W114 A119 C120 K121 E581	L113-E117 WeakPolarHBondContact O-CG 3.44Å; L113-E117 PolarHBondContact O-N 3.14Å; W114-E117 VanDerWaalsContact CD1-OE2 3.26Å; E117-A119 VanDerWaalsContact C-N 3.34Å; E117-A119 PolarHBondContact O-N 3.45Å; E117-C120 PolarHBondContact O-N 3.14Å; E117-K121 WeakPolarHBondContact O-CG 3.32Å; E117-K121 PolarHBondContact O-N 2.87Å; E117-E581 VanDerWaalsContact CD-CB 3.5Å; E117-E581 WeakPolarHBondContact OE1-CB 3.36Å
118	S	76.1	Confident	66.6	Low	25 Å²	25	74 Å²	74	18%	0.175	38%	0.381	C	S	.	.	H	α-helix	trans	-67.7	-34.4	178.2	-61.2	0	0	0	0	112.3	W114 R115 K116 A122 R319 F337	W114-S118 WeakPolarHBondContact O-CB 3.5Å; W114-S118 PolarHBondContact O-N 2.6Å; W114-S118 PolarHBondContact O-OG 2.87Å; R115-S118 PolarHBondContact O-N 2.8Å; K116-S118 VanDerWaalsContact C-N 3.33Å; K116-S118 PolarHBondContact O-N 3.27Å; S118-A122 PolarHBondContact O-N 3.38Å; S118-R319 PolarHBondContact OG-NH1 3.23Å; S118-F337 VanDerWaalsContact OG-CE1 3.28Å; S118-F337 WeakPolarHBondContact OG-CE1 3.47Å; S118-F337 WeakPolarHBondContact OG-CZ 3.49Å
119	A	77	Confident	63.9	Low	63 Å²	63	77.1 Å²	77.1	52%	0.521	40%	0.398	S	S	.	.	H	α-helix	trans	-68.8	-42	173.9	0	0	0	0	0	112.3	R115 K116 E117 A122 S123	R115-A119 WeakPolarHBondContact O-CB 3.46Å; R115-A119 PolarHBondContact O-N 2.95Å; K116-A119 PolarHBondContact O-N 3.25Å; E117-A119 VanDerWaalsContact C-N 3.34Å; E117-A119 PolarHBondContact O-N 3.45Å; A119-A122 PolarHBondContact O-N 3.09Å; A119-S123 PolarHBondContact O-N 3.04Å
120	C	63.5	Low	61.3	Low	60 Å²	60	82 Å²	82	41%	0.405	43%	0.429	S	S	.	.	H	α-helix	trans	-61.4	-44.2	174.6	-70.4	0	0	0	0	111.5	K116 E117 A122 S123 E124	K116-C120 PolarHBondContact O-N 2.83Å; K116-C120 PolarHBondContact O-SG 2.7Å; K116-C120 VanDerWaalsContact O-SG 3.42Å; E117-C120 PolarHBondContact O-N 3.14Å; C120-A122 PolarHBondContact O-N 2.78Å; C120-S123 PolarHBondContact O-N 3.36Å; C120-S123 VanDerWaalsContact O-N 3.11Å; C120-S123 PolarHBondContact O-OG 2.9Å; C120-E124 PolarHBondContact O-N 3.22Å
121	K	60.7	Low	58.6	Low	62 Å²	62	92.2 Å²	92.2	27%	0.27	47%	0.468	S	S	.	.	H	α-helix	trans	-64	-38.8	176.6	-75.5	174.4	178.2	156.7	0	112.6	E117 S123 E124 Y125 E581	E117-K121 WeakPolarHBondContact O-CG 3.32Å; E117-K121 PolarHBondContact O-N 2.87Å; K121-S123 PolarHBondContact O-N 3Å; K121-E124 PolarHBondContact O-N 2.9Å; K121-E124 VanDerWaalsContact O-N 3.09Å; K121-Y125 HydrophobicContact CB-CD2 4.18Å; K121-Y125 HydrophobicContact CB-CE2 3.95Å; K121-Y125 WeakPolarHBondContact O-CD2 3.27Å; K121-Y125 PolarHBondContact O-N 3.29Å; K121-E581 IonicContact NZ-OE1 2.7Å; K121-E581 PolarHBondContact NZ-OE1 3.27Å; K121-E581 IonicContact NZ-OE2 2.89Å; K121-E581 PolarHBondContact NZ-OE2 3.18Å
122	A	56	Low	55.8	Low	58 Å²	58	96.1 Å²	96.1	48%	0.479	49%	0.49	S	S	.	.	H	α-helix	trans	-57.8	-37.1	174	0	0	0	0	0	111.8	S118 A119 C120 E126	S118-A122 PolarHBondContact O-N 3.38Å; A119-A122 PolarHBondContact O-N 3.09Å; C120-A122 PolarHBondContact O-N 2.78Å; A122-E126 PolarHBondContact O-N 3.2Å
123	S	48.8	Very low	53.3	Low	66 Å²	66	97.8 Å²	97.8	46%	0.462	50%	0.5	S	S	.	.	H	α-helix	trans	-73.5	-29.2	174.5	69.3	0	0	0	0	114.5	A119 C120 K121 N127	A119-S123 PolarHBondContact O-N 3.04Å; C120-S123 PolarHBondContact O-N 3.36Å; C120-S123 VanDerWaalsContact O-N 3.11Å; C120-S123 PolarHBondContact O-OG 2.9Å; K121-S123 PolarHBondContact O-N 3Å; S123-N127 PolarHBondContact O-ND2 2.95Å
124	E	45.8	Very low	51.2	Low	104 Å²	104	100 Å²	100	49%	0.486	52%	0.515	S	S	.	.	H	α-helix	trans	-76.6	-37.7	175.1	-72.7	-179.8	178.3	0	0	112.3	C120 K121 E126 N127 I128	C120-E124 PolarHBondContact O-N 3.22Å; K121-E124 PolarHBondContact O-N 2.9Å; K121-E124 VanDerWaalsContact O-N 3.09Å; E124-E126 VanDerWaalsContact C-N 3.25Å; E124-E126 PolarHBondContact O-N 3.43Å; E124-N127 CarbonylContact O-C 3.6Å; E124-N127 WeakPolarHBondContact O-CA 3.29Å; E124-N127 PolarHBondContact O-N 3.39Å; E124-I128 PolarHBondContact O-N 3.18Å; E124-I128 VanDerWaalsContact O-N 3.1Å
125	Y	43	Very low	48.7	Very low	148 Å²	148	102.1 Å²	102.1	58%	0.58	53%	0.533	S	S	*	.	H	α-helix	trans	-66.2	-26.1	177.6	-76.8	-62.7	0	0	0	112.8	K121 N127	K121-Y125 HydrophobicContact CB-CD2 4.18Å; K121-Y125 HydrophobicContact CB-CE2 3.95Å; K121-Y125 WeakPolarHBondContact O-CD2 3.27Å; K121-Y125 PolarHBondContact O-N 3.29Å; Y125-N127 PolarHBondContact O-N 3.4Å
126	E	42.6	Very low	46.3	Very low	171 Å²	171	107.4 Å²	107.4	80%	0.799	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-17.9	169.5	-75.3	-171.9	168.5	0	0	112.8	A122 E124	A122-E126 PolarHBondContact O-N 3.2Å; E124-E126 VanDerWaalsContact C-N 3.25Å; E124-E126 PolarHBondContact O-N 3.43Å
127	N	35	Very low	44.6	Very low	143 Å²	143	104.4 Å²	104.4	77%	0.765	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.7	-3.8	-176.6	-70.6	-58	0	0	0	115	S123 E124 Y125	S123-N127 PolarHBondContact O-ND2 2.95Å; E124-N127 CarbonylContact O-C 3.6Å; E124-N127 WeakPolarHBondContact O-CA 3.29Å; E124-N127 PolarHBondContact O-N 3.39Å; Y125-N127 PolarHBondContact O-N 3.4Å
128	I	30.7	Very low	43.1	Very low	90 Å²	90	104.9 Å²	104.9	46%	0.462	55%	0.552	S	S	.	*			trans	-135.9	119.2	-174.5	-54.8	175.4	0	0	0	112.5	E124	E124-I128 PolarHBondContact O-N 3.18Å; E124-I128 VanDerWaalsContact O-N 3.1Å
129	T	28.1	Very low	41.4	Very low	121 Å²	121	108.3 Å²	108.3	74%	0.742	58%	0.576	S	S	*	*			trans	-60.7	129.2	166.8	-34.8	0	0	0	0	109.9	R131	T129-R131 PolarHBondContact O-N 2.97Å
130	P	28.6	Very low	39.9	Very low	110 Å²	110	109.7 Å²	109.7	71%	0.714	58%	0.582	S	S	*	*	S	Bend	trans	-74.6	30.6	-161.1	27.6	-35.7	0	0	0	116.4
131	R	26.1	Very low	39.3	Very low	216 Å²	216	107.6 Å²	107.6	82%	0.815	57%	0.566	S	S	*	*	S	Bend	trans	-89.4	-12.8	-161.7	-136.5	176.6	-171.3	172.7	3	117.9	T129	T129-R131 PolarHBondContact O-N 2.97Å
132	N	27.4	Very low	39	Very low	117 Å²	117	105.1 Å²	105.1	63%	0.626	56%	0.556	S	S	*	*	S	Bend	trans	-137.4	-0.2	-164	-77.3	-32	0	0	0	119.8
133	Q	31.5	Very low	38.9	Very low	159 Å²	159	105.6 Å²	105.6	74%	0.743	55%	0.553	S	S	*	*	S	Bend	trans	-87	-27.7	-178.1	-78.9	-179.9	1.5	0	0	114.6
134	T	35.2	Very low	39.1	Very low	80 Å²	80	105.5 Å²	105.5	49%	0.491	55%	0.551	S	S	.	*	S	Bend	trans	-86.9	-13.5	-166.8	47.3	0	0	0	0	115.6
135	S	30.1	Very low	39.5	Very low	69 Å²	69	108.3 Å²	108.3	48%	0.483	56%	0.562	S	S	.	*	S	Bend	trans	-108.4	-12.8	-169.6	-55.9	0	0	0	0	115.1	S137 F138 S139	S135-S137 PolarHBondContact O-N 3.05Å; S135-F138 PolarHBondContact O-N 2.76Å; S135-S139 WeakPolarHBondContact O-CA 3.44Å; S135-S139 WeakPolarHBondContact O-CB 3.46Å; S135-S139 PolarHBondContact O-N 3Å
136	R	33.7	Very low	40	Very low	207 Å²	207	104.5 Å²	104.5	78%	0.781	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-39.3	-170.4	-76.3	-173.2	176.6	-179.3	-0.7	113.1
137	S	42.5	Very low	40.6	Very low	82 Å²	82	96.4 Å²	96.4	57%	0.573	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-28.4	-178.4	-54	0	0	0	0	113.5	S135	S135-S137 PolarHBondContact O-N 3.05Å
138	F	42.2	Very low	41.6	Very low	52 Å²	52	90.8 Å²	90.8	23%	0.228	48%	0.481	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-20.9	-176.5	-67.1	-80.3	0	0	0	114.5	S135 S140 M141 W184 T186	S135-F138 PolarHBondContact O-N 2.76Å; F138-S140 VanDerWaalsContact C-N 3.27Å; F138-S140 PolarHBondContact O-N 2.65Å; F138-M141 HydrophobicContact CD1-SD 4.13Å; F138-M141 WeakPolarHBondContact O-CA 3.49Å; F138-M141 WeakPolarHBondContact O-CB 3.44Å; F138-M141 WeakPolarHBondContact O-CG 3.45Å; F138-M141 PolarHBondContact O-N 3Å; F138-W184 HydrophobicContact CE1-CB 4.16Å; F138-W184 HydrophobicContact CZ-CB 4.35Å; F138-T186 HydrophobicContact CD1-CG2 4.45Å; F138-T186 HydrophobicContact CE1-CG2 3.75Å; F138-T186 HydrophobicContact CZ-CG2 4.41Å
139	S	41.1	Very low	42.8	Very low	97 Å²	97	90.1 Å²	90.1	68%	0.678	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-30.8	-175.3	167.5	0	0	0	0	113.9	S135 M141	S135-S139 WeakPolarHBondContact O-CA 3.44Å; S135-S139 WeakPolarHBondContact O-CB 3.46Å; S135-S139 PolarHBondContact O-N 3Å; S139-M141 PolarHBondContact O-N 3.22Å
140	S	44.4	Very low	44.1	Very low	91 Å²	91	87.9 Å²	87.9	64%	0.636	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	2.4	175.5	70	0	0	0	0	114.2	F138	F138-S140 VanDerWaalsContact C-N 3.27Å; F138-S140 PolarHBondContact O-N 2.65Å
141	M	52.5	Low	45.3	Very low	16 Å²	16	82.7 Å²	82.7	8%	0.079	42%	0.423	C	S	.	.	S	Bend	trans	-112.6	168.8	-170.8	-49.1	-176.7	75.7	0	0	111.2	F138 S139 T143 T186 K222 I224	F138-M141 HydrophobicContact CD1-SD 4.13Å; F138-M141 WeakPolarHBondContact O-CA 3.49Å; F138-M141 WeakPolarHBondContact O-CB 3.44Å; F138-M141 WeakPolarHBondContact O-CG 3.45Å; F138-M141 PolarHBondContact O-N 3Å; S139-M141 PolarHBondContact O-N 3.22Å; M141-T143 PolarHBondContact O-N 3.48Å; M141-T186 HydrophobicContact CE-CG2 4.21Å; M141-T186 HydrophobicContact SD-CG2 4.28Å; M141-K222 HydrophobicContact CE-CD 3.62Å; M141-K222 HydrophobicContact CE-CG 4.3Å; M141-K222 PolarHBondContact SD-NZ 2.92Å; M141-I224 HydrophobicContact CB-CD1 4.3Å; M141-I224 HydrophobicContact CE-CD1 3.4Å; M141-I224 HydrophobicContact CE-CG1 3.35Å
142	V	53.3	Low	46.6	Very low	10 Å²	10	74.5 Å²	74.5	6%	0.061	40%	0.395	C	S	.	.			trans	-39.4	129.8	171	-179	0	0	0	0	110.9	Q146 L147 I224 S246 P248	V142-Q146 HydrophobicContact CG1-CB 3.58Å; V142-Q146 HydrophobicContact CG1-CG 4.48Å; V142-L147 HydrophobicContact CB-CD1 4.01Å; V142-L147 HydrophobicContact CB-CG 4.35Å; V142-L147 HydrophobicContact CG1-CD1 3.88Å; V142-L147 HydrophobicContact CG1-CG 3.69Å; V142-I224 HydrophobicContact CB-CD1 4.43Å; V142-I224 HydrophobicContact CG2-CD1 4.16Å; V142-S246 WeakPolarHBondContact CG2-OG 3.49Å; V142-P248 HydrophobicContact CG1-CB 4.19Å; V142-P248 HydrophobicContact CG1-CG 3.65Å; V142-P248 HydrophobicContact CG2-CB 4.03Å; V142-P248 HydrophobicContact CG2-CG 4.14Å
143	T	54	Low	47.6	Very low	68 Å²	68	74.7 Å²	74.7	42%	0.417	39%	0.387	S	S	.	.			trans	-64.3	145.7	-176.6	61.4	0	0	0	0	110.6	M141 K145 Q146 L147	M141-T143 PolarHBondContact O-N 3.48Å; T143-K145 PolarHBondContact O-N 3.07Å; T143-Q146 WeakPolarHBondContact O-CB 3.45Å; T143-Q146 PolarHBondContact O-N 3.09Å; T143-Q146 VanDerWaalsContact OG1-CG 3.3Å; T143-Q146 WeakPolarHBondContact OG1-CG 3.29Å; T143-Q146 PolarHBondContact OG1-N 3.16Å; T143-Q146 PolarHBondContact OG1-OE1 3.23Å; T143-Q146 VanDerWaalsContact OG1-OE1 3.11Å; T143-L147 PolarHBondContact O-N 3.36Å
144	P	53.7	Low	48.5	Very low	64 Å²	64	69 Å²	69	42%	0.416	36%	0.36	S	S	.	.	H	α-helix	trans	-47.8	-36.9	173.4	-35.2	39.1	0	0	0	114.3	I148 W184	P144-I148 WeakPolarHBondContact O-CD1 3.31Å; P144-I148 VanDerWaalsContact O-CG1 3.25Å; P144-I148 WeakPolarHBondContact O-CG1 3.25Å; P144-I148 PolarHBondContact O-N 3.12Å; P144-I148 VanDerWaalsContact O-N 3.09Å; P144-W184 VanDerWaalsContact CA-CH2 3.49Å; P144-W184 HydrophobicContact CB-CH2 4.05Å; P144-W184 HydrophobicContact CB-CZ2 3.4Å; P144-W184 VanDerWaalsContact CB-CZ2 3.4Å; P144-W184 HydrophobicContact CG-CZ2 4.06Å; P144-W184 WeakPolarHBondContact O-CH2 3.47Å
145	K	53.5	Low	49.1	Very low	164 Å²	164	66.1 Å²	66.1	71%	0.713	35%	0.345	S	S	*	.	H	α-helix	trans	-62	-47.4	176.3	-74.6	-173.5	175.5	-178	0	112.4	T143 L147 I148 D149	T143-K145 PolarHBondContact O-N 3.07Å; K145-L147 VanDerWaalsContact C-N 3.35Å; K145-L147 PolarHBondContact O-N 3.37Å; K145-I148 PolarHBondContact O-N 3.23Å; K145-D149 VanDerWaalsContact O-CG 3.26Å; K145-D149 PolarHBondContact O-N 3.05Å
146	Q	54.2	Low	49.6	Very low	67 Å²	67	67.7 Å²	67.7	31%	0.313	35%	0.354	S	S	.	.	H	α-helix	trans	-58.3	-47.4	179.8	-76.3	165.5	-34	0	0	111.2	V142 T143 I148 D149 Y150	V142-Q146 HydrophobicContact CG1-CB 3.58Å; V142-Q146 HydrophobicContact CG1-CG 4.48Å; T143-Q146 WeakPolarHBondContact O-CB 3.45Å; T143-Q146 PolarHBondContact O-N 3.09Å; T143-Q146 VanDerWaalsContact OG1-CG 3.3Å; T143-Q146 WeakPolarHBondContact OG1-CG 3.29Å; T143-Q146 PolarHBondContact OG1-N 3.16Å; T143-Q146 PolarHBondContact OG1-OE1 3.23Å; T143-Q146 VanDerWaalsContact OG1-OE1 3.11Å; Q146-I148 VanDerWaalsContact C-N 3.34Å; Q146-I148 PolarHBondContact O-N 3.27Å; Q146-D149 PolarHBondContact O-N 2.71Å; Q146-Y150 HydrophobicContact CB-CE2 4.44Å; Q146-Y150 WeakPolarHBondContact O-CD2 3.49Å; Q146-Y150 PolarHBondContact O-N 2.78Å
147	L	55.8	Low	49.8	Very low	1 Å²	1	61.7 Å²	61.7	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-67.4	-32.9	-179.7	-81.2	162.9	0	0	0	112.9	V142 T143 K145 S151 W184 I224 Y237 P248	V142-L147 HydrophobicContact CB-CD1 4.01Å; V142-L147 HydrophobicContact CB-CG 4.35Å; V142-L147 HydrophobicContact CG1-CD1 3.88Å; V142-L147 HydrophobicContact CG1-CG 3.69Å; T143-L147 PolarHBondContact O-N 3.36Å; K145-L147 VanDerWaalsContact C-N 3.35Å; K145-L147 PolarHBondContact O-N 3.37Å; L147-S151 VanDerWaalsContact O-CB 3.29Å; L147-S151 WeakPolarHBondContact O-CB 3.29Å; L147-S151 PolarHBondContact O-N 3.29Å; L147-S151 PolarHBondContact O-OG 3.33Å; L147-W184 HydrophobicContact CB-CH2 3.46Å; L147-W184 VanDerWaalsContact CB-CH2 3.46Å; L147-W184 HydrophobicContact CB-CZ3 3.5Å; L147-W184 HydrophobicContact CD1-CE3 4.11Å; L147-W184 HydrophobicContact CD1-CH2 4.02Å; L147-W184 HydrophobicContact CD1-CZ3 3.28Å; L147-W184 HydrophobicContact CG-CH2 4.33Å; L147-W184 HydrophobicContact CG-CZ3 3.94Å; L147-I224 HydrophobicContact CD1-CG2 3.84Å; L147-Y237 HydrophobicContact CD2-CD1 3.94Å; L147-Y237 HydrophobicContact CD2-CD2 3.27Å; L147-Y237 HydrophobicContact CD2-CE1 4.2Å; L147-Y237 HydrophobicContact CD2-CE2 3.56Å; L147-Y237 HydrophobicContact CD2-CG 3.48Å; L147-Y237 VanDerWaalsContact CD2-CG 3.48Å; L147-P248 HydrophobicContact CD2-CB 3.66Å; L147-P248 HydrophobicContact CD2-CG 4Å; L147-P248 HydrophobicContact CG-CB 4.4Å; L147-P248 HydrophobicContact CG-CG 4.4Å
148	I	55.2	Low	49.4	Very low	26 Å²	26	60.4 Å²	60.4	13%	0.133	34%	0.342	C	S	.	.	H	α-helix	trans	-64.5	-48.9	170.2	-70.3	165.5	0	0	0	110.2	P144 K145 Q146 Y150 S151 I152 F179 I226	P144-I148 WeakPolarHBondContact O-CD1 3.31Å; P144-I148 VanDerWaalsContact O-CG1 3.25Å; P144-I148 WeakPolarHBondContact O-CG1 3.25Å; P144-I148 PolarHBondContact O-N 3.12Å; P144-I148 VanDerWaalsContact O-N 3.09Å; K145-I148 PolarHBondContact O-N 3.23Å; Q146-I148 VanDerWaalsContact C-N 3.34Å; Q146-I148 PolarHBondContact O-N 3.27Å; I148-Y150 VanDerWaalsContact C-N 3.26Å; I148-Y150 PolarHBondContact O-N 2.94Å; I148-S151 CarbonylContact O-C 3.55Å; I148-S151 PolarHBondContact O-N 3.36Å; I148-I152 HydrophobicContact CG2-CD1 3.48Å; I148-I152 VanDerWaalsContact CG2-CD1 3.48Å; I148-I152 HydrophobicContact CG2-CG1 4.03Å; I148-I152 WeakPolarHBondContact O-CG1 3.43Å; I148-I152 PolarHBondContact O-N 3.33Å; I148-F179 HydrophobicContact CG2-CD1 4.14Å; I148-I226 HydrophobicContact CG1-CD1 4.07Å
149	D	56.1	Low	49	Very low	76 Å²	76	63.1 Å²	63.1	41%	0.406	37%	0.368	S	S	.	.	H	α-helix	trans	-59.4	-39.2	179.6	-64.6	-21.9	0	0	0	111.3	K145 Q146 R153	K145-D149 VanDerWaalsContact O-CG 3.26Å; K145-D149 PolarHBondContact O-N 3.05Å; Q146-D149 PolarHBondContact O-N 2.71Å; D149-R153 VanDerWaalsContact O-CG 3.3Å; D149-R153 WeakPolarHBondContact O-CG 3.32Å; D149-R153 VanDerWaalsContact O-CZ 3.3Å; D149-R153 PolarHBondContact O-N 3.13Å; D149-R153 PolarHBondContact O-NE 3.42Å
150	Y	54.6	Low	48.6	Very low	74 Å²	74	70 Å²	70	29%	0.29	38%	0.379	S	S	.	.	H	α-helix	trans	-67.8	-38.8	172.9	-74.3	-69.7	0	0	0	112.9	Q146 I148 R153 Q154 P248	Q146-Y150 HydrophobicContact CB-CE2 4.44Å; Q146-Y150 WeakPolarHBondContact O-CD2 3.49Å; Q146-Y150 PolarHBondContact O-N 2.78Å; I148-Y150 VanDerWaalsContact C-N 3.26Å; I148-Y150 PolarHBondContact O-N 2.94Å; Y150-R153 PolarHBondContact O-N 3.4Å; Y150-Q154 WeakPolarHBondContact O-CG 3.37Å; Y150-Q154 PolarHBondContact O-N 2.76Å; Y150-P248 HydrophobicContact CD2-CG 3.49Å; Y150-P248 VanDerWaalsContact CD2-CG 3.49Å; Y150-P248 HydrophobicContact CE2-CG 3.47Å; Y150-P248 VanDerWaalsContact CE2-CG 3.47Å; Y150-P248 HydrophobicContact CG-CG 4.43Å
151	S	53.8	Low	48.1	Very low	0 Å²	0	67 Å²	67	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-73	-36.3	-179.8	-58.3	0	0	0	0	112.6	L147 I148 R153 Q154 A155 I226 Y237	L147-S151 VanDerWaalsContact O-CB 3.29Å; L147-S151 WeakPolarHBondContact O-CB 3.29Å; L147-S151 PolarHBondContact O-N 3.29Å; L147-S151 PolarHBondContact O-OG 3.33Å; I148-S151 CarbonylContact O-C 3.55Å; I148-S151 PolarHBondContact O-N 3.36Å; S151-R153 VanDerWaalsContact C-N 3.3Å; S151-Q154 CarbonylContact O-C 3.53Å; S151-Q154 PolarHBondContact O-N 2.82Å; S151-A155 PolarHBondContact O-N 3.39Å; S151-A155 VanDerWaalsContact O-N 3.14Å; S151-I226 WeakPolarHBondContact OG-CG2 2.95Å; S151-Y237 WeakPolarHBondContact CA-OH 3.18Å; S151-Y237 PolarHBondContact N-OH 2.76Å; S151-Y237 PolarHBondContact OG-OH 3.44Å
152	I	53.2	Low	47.3	Very low	44 Å²	44	69.7 Å²	69.7	23%	0.226	38%	0.378	C	S	.	.	H	α-helix	trans	-60.7	-43.2	172.6	-70	168.4	0	0	0	109.3	I148 Q154 A155 L158 F179	I148-I152 HydrophobicContact CG2-CD1 3.48Å; I148-I152 VanDerWaalsContact CG2-CD1 3.48Å; I148-I152 HydrophobicContact CG2-CG1 4.03Å; I148-I152 WeakPolarHBondContact O-CG1 3.43Å; I148-I152 PolarHBondContact O-N 3.33Å; I152-Q154 PolarHBondContact O-N 3.11Å; I152-A155 PolarHBondContact O-N 3.44Å; I152-L158 WeakPolarHBondContact O-CD1 3.38Å; I152-F179 HydrophobicContact CB-CZ 4.39Å; I152-F179 HydrophobicContact CD1-CE1 4.49Å; I152-F179 HydrophobicContact CD1-CE2 4.22Å; I152-F179 HydrophobicContact CD1-CZ 4.25Å; I152-F179 HydrophobicContact CG1-CD1 4.35Å; I152-F179 HydrophobicContact CG1-CD2 4.41Å; I152-F179 HydrophobicContact CG1-CE1 3.66Å; I152-F179 HydrophobicContact CG1-CE2 3.71Å; I152-F179 HydrophobicContact CG1-CZ 3.32Å
153	R	50.2	Low	46.5	Very low	121 Å²	121	76 Å²	76	46%	0.457	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-8.4	174.7	-74.2	-176.1	-76.9	-102.8	2.4	114.4	D149 Y150 S151	D149-R153 VanDerWaalsContact O-CG 3.3Å; D149-R153 WeakPolarHBondContact O-CG 3.32Å; D149-R153 VanDerWaalsContact O-CZ 3.3Å; D149-R153 PolarHBondContact O-N 3.13Å; D149-R153 PolarHBondContact O-NE 3.42Å; Y150-R153 PolarHBondContact O-N 3.4Å; S151-R153 VanDerWaalsContact C-N 3.3Å
154	Q	49.9	Very low	45.7	Very low	39 Å²	39	80.9 Å²	80.9	18%	0.182	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	1.2	-179.1	-67.6	-174.8	11.5	0	0	114	Y150 S151 I152 P250 R253	Y150-Q154 WeakPolarHBondContact O-CG 3.37Å; Y150-Q154 PolarHBondContact O-N 2.76Å; S151-Q154 CarbonylContact O-C 3.53Å; S151-Q154 PolarHBondContact O-N 2.82Å; I152-Q154 PolarHBondContact O-N 3.11Å; Q154-P250 VanDerWaalsContact NE2-CB 3.3Å; Q154-R253 VanDerWaalsContact OE1-CA 3.27Å
155	A	47.6	Very low	44.7	Very low	20 Å²	20	82.5 Å²	82.5	17%	0.165	43%	0.431	C	S	.	.	S	Bend	trans	-58.7	139.4	179.1	0	0	0	0	0	109.5	S151 I152 G157 L158	S151-A155 PolarHBondContact O-N 3.39Å; S151-A155 VanDerWaalsContact O-N 3.14Å; I152-A155 PolarHBondContact O-N 3.44Å; A155-G157 PolarHBondContact O-N 2.83Å; A155-G157 VanDerWaalsContact O-N 3.15Å; A155-L158 HydrophobicContact CB-CD1 3.9Å; A155-L158 HydrophobicContact CB-CG 4.42Å; A155-L158 PolarHBondContact O-N 2.64Å
156	P	40.4	Very low	43.7	Very low	103 Å²	103	79 Å²	79	67%	0.669	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	123.9	-179.8	-25.4	32.3	0	0	0	110.8
157	G	38.7	Very low	42.7	Very low	80 Å²	80	80.5 Å²	80.5	83%	0.825	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.9	-2.5	179.9	0	0	0	0	0	116.8	A155	A155-G157 PolarHBondContact O-N 2.83Å; A155-G157 VanDerWaalsContact O-N 3.15Å
158	L	32.7	Very low	41.6	Very low	55 Å²	55	87.7 Å²	87.7	29%	0.288	46%	0.463	S	S	.	.			trans	-100	95.4	177.5	-64.5	179.7	0	0	0	112	I152 A155 L169	I152-L158 WeakPolarHBondContact O-CD1 3.38Å; A155-L158 HydrophobicContact CB-CD1 3.9Å; A155-L158 HydrophobicContact CB-CG 4.42Å; A155-L158 PolarHBondContact O-N 2.64Å; L158-L169 HydrophobicContact CD1-CD1 4.44Å; L158-L169 HydrophobicContact CD2-CD1 4.21Å
159	S	34.8	Very low	40.4	Very low	110 Å²	110	89.8 Å²	89.8	77%	0.769	47%	0.474	S	S	*	.			trans	-72.3	129.8	158.3	49.6	0	0	0	0	109.3	P161	S159-P161 VanDerWaalsContact O-N 3.07Å
160	R	32.3	Very low	39.3	Very low	241 Å²	241	92.1 Å²	92.1	91%	0.909	48%	0.481	S	S	*	.			trans	-6.5	94.7	174.6	-160.9	179.7	-167	174	1.5	114.1	S162	R160-S162 PolarHBondContact O-N 2.83Å
161	P	34	Very low	38.4	Very low	29 Å²	29	95.4 Å²	95.4	19%	0.188	50%	0.502	C	S	.	.			trans	-68.2	132	-178.9	23.2	-29.4	0	0	0	109.9	S159 H165	S159-P161 VanDerWaalsContact O-N 3.07Å; P161-H165 HydrophobicContact CB-CB 3.86Å
162	S	35.6	Very low	37.5	Very low	72 Å²	72	99.7 Å²	99.7	50%	0.503	52%	0.524	S	S	.	.			trans	-58.3	154.3	161.1	64.6	0	0	0	0	108.8	R160 Q164 H165 L166	R160-S162 PolarHBondContact O-N 2.83Å; S162-Q164 PolarHBondContact O-N 3.49Å; S162-H165 WeakPolarHBondContact O-CB 3.33Å; S162-H165 PolarHBondContact O-N 3.06Å; S162-L166 PolarHBondContact O-N 3.27Å
163	N	36.2	Very low	36.7	Very low	141 Å²	141	103 Å²	103	75%	0.754	54%	0.542	S	S	*	.	H	α-helix	trans	-54.8	-27.9	179.5	-80.5	-22.3	0	0	0	112.7
164	Q	37.7	Very low	36	Very low	171 Å²	171	103.3 Å²	103.3	80%	0.799	55%	0.553	S	S	*	*	H	α-helix	trans	-71	-27.7	174.8	-69	-179.6	-4.6	0	0	113.3	S162 D167	S162-Q164 PolarHBondContact O-N 3.49Å; Q164-D167 PolarHBondContact O-N 2.76Å
165	H	32.5	Very low	35.5	Very low	99 Å²	99	105.1 Å²	105.1	46%	0.458	57%	0.566	S	S	.	*	H	α-helix	trans	-80.5	-16.6	179.5	-144.5	83.5	0	0	0	113.2	P161 S162 D167	P161-H165 HydrophobicContact CB-CB 3.86Å; S162-H165 WeakPolarHBondContact O-CB 3.33Å; S162-H165 PolarHBondContact O-N 3.06Å; H165-D167 VanDerWaalsContact C-N 3.33Å
166	L	33.4	Very low	34.9	Very low	90 Å²	90	108.8 Å²	108.8	47%	0.471	58%	0.58	S	S	.	*	H	α-helix	trans	-67.7	-33	170.7	-82.2	164.5	0	0	0	112	S162	S162-L166 PolarHBondContact O-N 3.27Å
167	D	33.1	Very low	35.2	Very low	98 Å²	98	106.9 Å²	106.9	52%	0.524	57%	0.566	S	S	.	*	H	α-helix	trans	-74.2	-30	177.9	-90.7	-40.3	0	0	0	112.8	Q164 H165 L169 K170	Q164-D167 PolarHBondContact O-N 2.76Å; H165-D167 VanDerWaalsContact C-N 3.33Å; D167-L169 VanDerWaalsContact C-N 3.31Å; D167-L169 PolarHBondContact O-N 3.4Å; D167-K170 WeakPolarHBondContact O-CB 3.4Å; D167-K170 PolarHBondContact O-N 2.95Å; D167-K170 IonicContact OD1-NZ 3.02Å; D167-K170 PolarHBondContact OD1-NZ 2.98Å
168	H	31.5	Very low	35.9	Very low	152 Å²	152	105.3 Å²	105.3	70%	0.704	54%	0.539	S	S	*	.	H	α-helix	trans	-75.7	-16.7	177.2	-112.9	17.2	0	0	0	114.2	K170	H168-K170 PolarHBondContact O-N 2.88Å
169	L	30.4	Very low	37	Very low	70 Å²	70	104 Å²	104	37%	0.366	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	7.5	171.4	-69.6	173.5	0	0	0	113.6	L158 D167 I171	L158-L169 HydrophobicContact CD1-CD1 4.44Å; L158-L169 HydrophobicContact CD2-CD1 4.21Å; D167-L169 VanDerWaalsContact C-N 3.31Å; D167-L169 PolarHBondContact O-N 3.4Å; L169-I171 PolarHBondContact O-N 2.79Å
170	K	32.1	Very low	38.5	Very low	125 Å²	125	107.4 Å²	107.4	54%	0.543	53%	0.527	S	S	.	.			trans	-68.1	32.6	159	-78.8	176.2	-177.3	148.4	0	112.9	D167 H168 I172	D167-K170 WeakPolarHBondContact O-CB 3.4Å; D167-K170 PolarHBondContact O-N 2.95Å; D167-K170 IonicContact OD1-NZ 3.02Å; D167-K170 PolarHBondContact OD1-NZ 2.98Å; H168-K170 PolarHBondContact O-N 2.88Å; K170-I172 VanDerWaalsContact C-N 3.27Å; K170-I172 HydrophobicContact CB-CD1 3.69Å; K170-I172 HydrophobicContact CB-CG1 3.73Å; K170-I172 HydrophobicContact CD-CD1 4.5Å; K170-I172 HydrophobicContact CG-CD1 4.18Å; K170-I172 HydrophobicContact CG-CG1 4.14Å; K170-I172 VanDerWaalsContact O-CB 3.32Å; K170-I172 WeakPolarHBondContact O-CB 3.21Å; K170-I172 WeakPolarHBondContact O-CD1 3.19Å; K170-I172 WeakPolarHBondContact O-CG1 3.39Å; K170-I172 PolarHBondContact O-N 2.79Å; K170-I172 VanDerWaalsContact O-N 3.07Å
171	I	36.5	Very low	40.7	Very low	143 Å²	143	97.4 Å²	97.4	73%	0.733	49%	0.491	S	S	*	.			trans	-76.8	93	155.5	-60.3	178.2	0	0	0	105	L169 N173	L169-I171 PolarHBondContact O-N 2.79Å; I171-N173 PolarHBondContact O-N 3.02Å
172	I	35.4	Very low	43.2	Very low	90 Å²	90	99.3 Å²	99.3	46%	0.462	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-7.2	-130.4	-107.7	151.5	0	0	0	116.6	K170	K170-I172 VanDerWaalsContact C-N 3.27Å; K170-I172 HydrophobicContact CB-CD1 3.69Å; K170-I172 HydrophobicContact CB-CG1 3.73Å; K170-I172 HydrophobicContact CD-CD1 4.5Å; K170-I172 HydrophobicContact CG-CD1 4.18Å; K170-I172 HydrophobicContact CG-CG1 4.14Å; K170-I172 VanDerWaalsContact O-CB 3.32Å; K170-I172 WeakPolarHBondContact O-CB 3.21Å; K170-I172 WeakPolarHBondContact O-CD1 3.19Å; K170-I172 WeakPolarHBondContact O-CG1 3.39Å; K170-I172 PolarHBondContact O-N 2.79Å; K170-I172 VanDerWaalsContact O-N 3.07Å
173	N	35.6	Very low	45.8	Very low	113 Å²	113	95.9 Å²	95.9	60%	0.604	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.8	-45.8	-169.6	-76.3	-19.1	0	0	0	117	I171 T177	I171-N173 PolarHBondContact O-N 3.02Å; N173-T177 WeakPolarHBondContact O-CB 3.39Å; N173-T177 WeakPolarHBondContact O-CG2 3.45Å; N173-T177 PolarHBondContact O-N 2.91Å; N173-T177 PolarHBondContact O-OG1 3.15Å
174	D	35.9	Very low	48.5	Very low	129 Å²	129	90.2 Å²	90.2	69%	0.69	44%	0.439	S	S	*	.	H	α-helix	trans	-74.4	-36.6	-173.9	-89.9	-8.8	0	0	0	113.5	T177 N178	D174-T177 WeakPolarHBondContact CA-OG1 3.39Å; D174-T177 PolarHBondContact O-OG1 3.19Å; D174-N178 PolarHBondContact O-N 3.46Å; D174-N178 VanDerWaalsContact O-N 3.14Å; D174-N178 PolarHBondContact O-ND2 2.93Å
175	V	38.3	Very low	51.2	Low	76 Å²	76	82 Å²	82	46%	0.461	40%	0.401	S	S	.	.	H	α-helix	trans	-71	-42.8	177.7	-178.5	0	0	0	0	110.3	T177 N178 F179	V175-T177 PolarHBondContact O-N 2.99Å; V175-N178 PolarHBondContact O-N 3.2Å; V175-F179 HydrophobicContact CG1-CD2 3.79Å; V175-F179 HydrophobicContact CG1-CE2 3.38Å; V175-F179 WeakPolarHBondContact O-CD2 3.33Å; V175-F179 PolarHBondContact O-N 3.03Å; V175-F179 VanDerWaalsContact O-N 3.16Å
176	Q	37	Very low	54.1	Low	98 Å²	98	78.1 Å²	78.1	46%	0.458	38%	0.384	S	S	.	.	H	α-helix	trans	-64.2	-40	176.6	-78.5	-165.5	3.7	0	0	112.6	F179 R180	Q176-F179 PolarHBondContact O-N 2.93Å; Q176-R180 WeakPolarHBondContact O-CG 3.32Å; Q176-R180 PolarHBondContact O-N 2.86Å
177	T	46.2	Very low	57.1	Low	62 Å²	62	74 Å²	74	38%	0.38	36%	0.363	S	S	.	.	H	α-helix	trans	-65.8	-39.6	178.4	52.2	0	0	0	0	111.6	N173 D174 V175 F179 R180 N181	N173-T177 WeakPolarHBondContact O-CB 3.39Å; N173-T177 WeakPolarHBondContact O-CG2 3.45Å; N173-T177 PolarHBondContact O-N 2.91Å; N173-T177 PolarHBondContact O-OG1 3.15Å; D174-T177 WeakPolarHBondContact CA-OG1 3.39Å; D174-T177 PolarHBondContact O-OG1 3.19Å; V175-T177 PolarHBondContact O-N 2.99Å; T177-F179 VanDerWaalsContact C-N 3.3Å; T177-F179 PolarHBondContact O-N 3.49Å; T177-R180 WeakPolarHBondContact O-CB 3.41Å; T177-R180 PolarHBondContact O-N 3Å; T177-R180 VanDerWaalsContact O-N 3.09Å; T177-N181 PolarHBondContact O-N 2.99Å
178	N	51.8	Low	60.1	Low	47 Å²	47	70.2 Å²	70.2	25%	0.251	34%	0.341	S	S	.	.	H	α-helix	trans	-60.7	-37	173.5	-76	-20.9	0	0	0	112.8	D174 V175 F228 N230	D174-N178 PolarHBondContact O-N 3.46Å; D174-N178 VanDerWaalsContact O-N 3.14Å; D174-N178 PolarHBondContact O-ND2 2.93Å; V175-N178 PolarHBondContact O-N 3.2Å; N178-F228 WeakPolarHBondContact O-CD1 3.3Å; N178-N230 WeakPolarHBondContact OD1-CB 3.42Å; N178-N230 PolarHBondContact OD1-ND2 2.73Å
179	F	56.2	Low	63.1	Low	27 Å²	27	63 Å²	63	12%	0.118	31%	0.308	C	S	.	.	H	α-helix	trans	-78.2	-18.7	175.7	-70.2	-65.2	0	0	0	113.8	I148 I152 V175 Q176 T177 R182 F228 R254	I148-F179 HydrophobicContact CG2-CD1 4.14Å; I152-F179 HydrophobicContact CB-CZ 4.39Å; I152-F179 HydrophobicContact CD1-CE1 4.49Å; I152-F179 HydrophobicContact CD1-CE2 4.22Å; I152-F179 HydrophobicContact CD1-CZ 4.25Å; I152-F179 HydrophobicContact CG1-CD1 4.35Å; I152-F179 HydrophobicContact CG1-CD2 4.41Å; I152-F179 HydrophobicContact CG1-CE1 3.66Å; I152-F179 HydrophobicContact CG1-CE2 3.71Å; I152-F179 HydrophobicContact CG1-CZ 3.32Å; V175-F179 HydrophobicContact CG1-CD2 3.79Å; V175-F179 HydrophobicContact CG1-CE2 3.38Å; V175-F179 WeakPolarHBondContact O-CD2 3.33Å; V175-F179 PolarHBondContact O-N 3.03Å; V175-F179 VanDerWaalsContact O-N 3.16Å; Q176-F179 PolarHBondContact O-N 2.93Å; T177-F179 VanDerWaalsContact C-N 3.3Å; T177-F179 PolarHBondContact O-N 3.49Å; F179-R182 PolarHBondContact O-NH1 2.93Å; F179-F228 HydrophobicContact CD1-CD1 4.47Å; F179-F228 AromaticContact CD1-CE1 3.56Å; F179-F228 HydrophobicContact CD1-CE1 3.56Å; F179-F228 HydrophobicContact CD1-CZ 4.01Å; F179-F228 AromaticContact CE1-CE1 3.87Å; F179-F228 HydrophobicContact CE1-CE1 3.87Å; F179-F228 AromaticContact CE1-CZ 3.91Å; F179-F228 HydrophobicContact CE1-CZ 3.91Å; F179-R254 VanDerWaalsContact CE1-NH1 3.32Å
180	R	66	Low	66.1	Low	183 Å²	183	60.4 Å²	60.4	69%	0.691	29%	0.294	S	S	*	.	H	α-helix	trans	-72.6	-45.6	174.8	-76.8	-178	-172.8	-165.5	5	111.6	Q176 T177 R182	Q176-R180 WeakPolarHBondContact O-CG 3.32Å; Q176-R180 PolarHBondContact O-N 2.86Å; T177-R180 WeakPolarHBondContact O-CB 3.41Å; T177-R180 PolarHBondContact O-N 3Å; T177-R180 VanDerWaalsContact O-N 3.09Å; R180-R182 PolarHBondContact O-N 2.87Å; R180-R182 PolarHBondContact O-NH1 2.89Å
181	N	79.2	Confident	69	Low	30 Å²	30	55.2 Å²	55.2	16%	0.16	27%	0.273	C	S	.	.	S	Bend	trans	-87.1	98.1	177.8	-168.9	20	0	0	0	110.7	T177 P229 N230	T177-N181 PolarHBondContact O-N 2.99Å; N181-P229 WeakPolarHBondContact O-CD 3.25Å; N181-N230 PolarHBondContact ND2-OD1 2.97Å
182	R	85.9	Confident	71.6	Confident	69 Å²	69	48.7 Å²	48.7	26%	0.26	24%	0.239	S	C	.	.			trans	-141.4	146.5	-176.1	63.5	-175.4	177.2	-76.8	-8.3	111	F179 R180 I226 A227 F228 S317	F179-R182 PolarHBondContact O-NH1 2.93Å; R180-R182 PolarHBondContact O-N 2.87Å; R180-R182 PolarHBondContact O-NH1 2.89Å; R182-I226 HydrophobicContact CB-CD1 4.41Å; R182-I226 HydrophobicContact CB-CG1 4.31Å; R182-A227 CarbonylContact C-O 3.57Å; R182-A227 VanDerWaalsContact CA-O 3.22Å; R182-A227 WeakPolarHBondContact CA-O 3.47Å; R182-F228 HydrophobicContact CB-CD1 4.35Å; R182-F228 HydrophobicContact CB-CE1 4.3Å; R182-S317 VanDerWaalsContact O-CB 3.23Å; R182-S317 WeakPolarHBondContact O-CB 3.39Å
183	I	91.2	Very high	74	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	124.3	176.6	-58.4	173.4	0	0	0	108.5	A227 P229 P271 E272 V313 K318 A321	I183-A227 HydrophobicContact CB-CB 4.38Å; I183-A227 PolarHBondContact N-O 3.24Å; I183-A227 PolarHBondContact O-N 3.11Å; I183-P229 HydrophobicContact CD1-CG 3.53Å; I183-P229 HydrophobicContact CG1-CG 3.8Å; I183-P271 HydrophobicContact CD1-CB 4.21Å; I183-E272 HydrophobicContact CD1-CB 4.01Å; I183-V313 HydrophobicContact CG2-CG1 3.58Å; I183-K318 HydrophobicContact CD1-CB 4.16Å; I183-K318 HydrophobicContact CD1-CG 4.33Å; I183-K318 HydrophobicContact CG2-CB 4.43Å; I183-A321 HydrophobicContact CD1-CB 4.03Å
184	W	92.1	Very high	76.4	Confident	22 Å²	22	40.1 Å²	40.1	8%	0.083	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	142.2	170.4	-61.5	94.3	0	0	0	110.1	F138 P144 L147 I226 V313 D314	F138-W184 HydrophobicContact CE1-CB 4.16Å; F138-W184 HydrophobicContact CZ-CB 4.35Å; P144-W184 VanDerWaalsContact CA-CH2 3.49Å; P144-W184 HydrophobicContact CB-CH2 4.05Å; P144-W184 HydrophobicContact CB-CZ2 3.4Å; P144-W184 VanDerWaalsContact CB-CZ2 3.4Å; P144-W184 HydrophobicContact CG-CZ2 4.06Å; P144-W184 WeakPolarHBondContact O-CH2 3.47Å; L147-W184 HydrophobicContact CB-CH2 3.46Å; L147-W184 VanDerWaalsContact CB-CH2 3.46Å; L147-W184 HydrophobicContact CB-CZ3 3.5Å; L147-W184 HydrophobicContact CD1-CE3 4.11Å; L147-W184 HydrophobicContact CD1-CH2 4.02Å; L147-W184 HydrophobicContact CD1-CZ3 3.28Å; L147-W184 HydrophobicContact CG-CH2 4.33Å; L147-W184 HydrophobicContact CG-CZ3 3.94Å; W184-I226 HydrophobicContact CE3-CB 4.15Å; W184-I226 HydrophobicContact CE3-CG1 4.37Å; W184-I226 HydrophobicContact CH2-CB 4.29Å; W184-I226 HydrophobicContact CH2-CD1 3.56Å; W184-I226 HydrophobicContact CH2-CG1 4.09Å; W184-I226 HydrophobicContact CZ2-CD1 3.86Å; W184-I226 HydrophobicContact CZ2-CG1 4.37Å; W184-I226 HydrophobicContact CZ3-CB 3.82Å; W184-I226 HydrophobicContact CZ3-CD1 4Å; W184-I226 HydrophobicContact CZ3-CG1 4.06Å; W184-V313 WeakPolarHBondContact O-CA 3.28Å; W184-D314 HydrophobicContact CB-CB 4.14Å; W184-D314 PolarHBondContact O-N 2.84Å
185	F	94.7	Very high	78.5	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	157.2	173	66.9	-84.8	0	0	0	111.3	A187 G225 A227 W234 L236 F275 I310 G312 V313	F185-A187 HydrophobicContact CD2-CB 4.38Å; F185-A187 HydrophobicContact CE2-CB 4.38Å; F185-G225 VanDerWaalsContact CD1-C 3.48Å; F185-G225 WeakPolarHBondContact CD1-O 3.38Å; F185-G225 VanDerWaalsContact CZ-CA 3.43Å; F185-G225 PolarHBondContact N-O 3.37Å; F185-G225 PolarHBondContact O-N 3.44Å; F185-A227 HydrophobicContact CD1-CB 4.46Å; F185-A227 HydrophobicContact CE1-CB 4.21Å; F185-W234 AromaticContact CZ-CE3 3.88Å; F185-W234 HydrophobicContact CZ-CE3 3.88Å; F185-W234 HydrophobicContact CZ-CZ3 4.39Å; F185-L236 HydrophobicContact CE2-CD1 3.68Å; F185-L236 HydrophobicContact CZ-CD1 4.04Å; F185-F275 HydrophobicContact CB-CD1 4.43Å; F185-F275 AromaticContact CD1-CD1 3.64Å; F185-F275 HydrophobicContact CD1-CD1 3.64Å; F185-F275 AromaticContact CD1-CE1 3.8Å; F185-F275 HydrophobicContact CD1-CE1 3.8Å; F185-F275 HydrophobicContact CD2-CD1 4.12Å; F185-F275 HydrophobicContact CD2-CE1 4.29Å; F185-F275 AromaticContact CE1-CD1 3.77Å; F185-F275 HydrophobicContact CE1-CD1 3.77Å; F185-F275 AromaticContact CE1-CE1 3.39Å; F185-F275 HydrophobicContact CE1-CE1 3.39Å; F185-F275 HydrophobicContact CE2-CD1 4.21Å; F185-F275 AromaticContact CE2-CE1 3.91Å; F185-F275 HydrophobicContact CE2-CE1 3.91Å; F185-F275 AromaticContact CG-CD1 3.81Å; F185-F275 HydrophobicContact CG-CD1 3.81Å; F185-F275 HydrophobicContact CG-CE1 4.22Å; F185-F275 HydrophobicContact CZ-CD1 4.03Å; F185-F275 AromaticContact CZ-CE1 3.43Å; F185-F275 HydrophobicContact CZ-CE1 3.43Å; F185-F275 VanDerWaalsContact CZ-CE1 3.43Å; F185-F275 HydrophobicContact CZ-CZ 4.44Å; F185-I310 HydrophobicContact CD2-CD1 3.61Å; F185-I310 HydrophobicContact CE2-CD1 3.82Å; F185-G312 CarbonylContact C-O 3.59Å; F185-G312 WeakPolarHBondContact CA-O 3.15Å; F185-G312 VanDerWaalsContact CB-O 3.27Å; F185-G312 WeakPolarHBondContact CB-O 3.47Å; F185-V313 HydrophobicContact CB-CG2 4.01Å
186	T	94.6	Very high	80.5	Confident	17 Å²	17	32.9 Å²	32.9	10%	0.104	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	150.4	168.3	56.4	0	0	0	0	109.4	F138 M141 F223 T311 G312	F138-T186 HydrophobicContact CD1-CG2 4.45Å; F138-T186 HydrophobicContact CE1-CG2 3.75Å; F138-T186 HydrophobicContact CZ-CG2 4.41Å; M141-T186 HydrophobicContact CE-CG2 4.21Å; M141-T186 HydrophobicContact SD-CG2 4.28Å; T186-F223 WeakPolarHBondContact CA-O 3.24Å; T186-T311 VanDerWaalsContact C-OG1 3.25Å; T186-T311 WeakPolarHBondContact CB-OG1 3.43Å; T186-T311 PolarHBondContact O-N 3.35Å; T186-T311 PolarHBondContact O-OG1 3.19Å; T186-T311 PolarHBondContact OG1-OG1 3.16Å; T186-G312 PolarHBondContact N-O 3.47Å; T186-G312 PolarHBondContact O-N 2.76Å; T186-G312 WeakPolarHBondContact OG1-CA 3.49Å; T186-G312 PolarHBondContact OG1-N 2.87Å
187	A	96	Very high	82.4	Confident	3 Å²	3	28.5 Å²	28.5	3%	0.025	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	168.8	-179.8	0	0	0	0	0	112.2	F185 F223 L236 I308 L309 I310 T311	F185-A187 HydrophobicContact CD2-CB 4.38Å; F185-A187 HydrophobicContact CE2-CB 4.38Å; A187-F223 HydrophobicContact CB-CB 4.34Å; A187-F223 PolarHBondContact N-O 2.95Å; A187-F223 WeakPolarHBondContact O-CB 3.44Å; A187-F223 PolarHBondContact O-N 3.46Å; A187-F223 VanDerWaalsContact O-N 3.1Å; A187-L236 HydrophobicContact CB-CD1 4.26Å; A187-I308 HydrophobicContact CB-CG2 3.58Å; A187-L309 CarbonylContact C-O 3.59Å; A187-L309 WeakPolarHBondContact CA-O 3.11Å; A187-L309 WeakPolarHBondContact CB-O 2.98Å; A187-I310 HydrophobicContact CB-CD1 4.31Å; A187-T311 PolarHBondContact N-OG1 2.87Å
188	R	94.9	Very high	83.7	Confident	18 Å²	18	27 Å²	27	7%	0.068	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	162.6	166.3	68.4	176	176	98.3	-3.6	110.6	I308 L309 T311 E472 E475	R188-I308 WeakPolarHBondContact O-CA 3.5Å; R188-L309 HydrophobicContact CG-CB 3.94Å; R188-L309 HydrophobicContact CG-CD2 4.3Å; R188-L309 VanDerWaalsContact CZ-CD2 3.47Å; R188-L309 PolarHBondContact N-O 3.38Å; R188-L309 VanDerWaalsContact NE-CD2 3.34Å; R188-L309 PolarHBondContact O-N 3.09Å; R188-T311 HydrophobicContact CB-CG2 4.31Å; R188-T311 HydrophobicContact CG-CG2 3.88Å; R188-E472 IonicContact NH2-OE2 3.86Å; R188-E472 PolarHBondContact NH2-OE2 2.83Å; R188-E475 IonicContact CZ-OE1 2.69Å; R188-E475 IonicContact NE-OE1 3.57Å; R188-E475 PolarHBondContact NE-OE1 3.07Å; R188-E475 IonicContact NE-OE2 3.53Å; R188-E475 IonicContact NH2-OE1 3.82Å; R188-E475 PolarHBondContact NH2-OE1 2.86Å
189	L	95.2	Very high	84.1	Confident	1 Å²	1	28.1 Å²	28.1	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	137.1	173.9	-52.9	-178.9	0	0	0	110	V191 F218 F223 F251 L306 R307 I308	L189-V191 HydrophobicContact CB-CG1 3.84Å; L189-V191 PolarHBondContact O-N 3.37Å; L189-F218 HydrophobicContact CD1-CD1 4.01Å; L189-F223 HydrophobicContact CD1-CE1 4.27Å; L189-F223 HydrophobicContact CD1-CE2 3.78Å; L189-F223 HydrophobicContact CD1-CZ 3.51Å; L189-F223 HydrophobicContact CD2-CE2 4.4Å; L189-F223 HydrophobicContact CG-CD2 4.14Å; L189-F223 HydrophobicContact CG-CE2 3.59Å; L189-F223 HydrophobicContact CG-CZ 3.82Å; L189-F251 HydrophobicContact CD1-CE1 4.03Å; L189-F251 HydrophobicContact CD1-CZ 3.73Å; L189-F251 HydrophobicContact CD2-CE1 4.24Å; L189-L306 HydrophobicContact CD1-CD1 4.2Å; L189-L306 HydrophobicContact CD2-CD1 3.98Å; L189-L306 HydrophobicContact CD2-CD2 3.91Å; L189-L306 HydrophobicContact CD2-CG 4.1Å; L189-L306 HydrophobicContact CG-CD1 4.48Å; L189-R307 WeakPolarHBondContact CA-O 3.39Å; L189-I308 HydrophobicContact CD2-CG1 3.95Å
190	L	93.9	Very high	84	Confident	15 Å²	15	31.4 Å²	31.4	8%	0.079	15%	0.152	C	C	.	.			trans	-89.1	78.6	171.1	-53.7	-176.1	0	0	0	109.3	I280 R307 L309	L190-I280 HydrophobicContact CD1-CD1 3.87Å; L190-I280 HydrophobicContact CD1-CG1 4.05Å; L190-I280 HydrophobicContact CD1-CG2 4.06Å; L190-R307 HydrophobicContact CB-CB 3.73Å; L190-R307 HydrophobicContact CD1-CB 4.21Å; L190-R307 HydrophobicContact CG-CB 4.17Å; L190-R307 PolarHBondContact N-O 2.72Å; L190-R307 PolarHBondContact O-NE 2.94Å; L190-R307 PolarHBondContact O-NH2 3.28Å; L190-L309 HydrophobicContact CD1-CB 4.41Å; L190-L309 HydrophobicContact CD2-CB 3.8Å; L190-L309 HydrophobicContact CD2-CD2 4.34Å; L190-L309 HydrophobicContact CG-CB 4.1Å
191	V	92.8	Very high	83.3	Confident	16 Å²	16	30.9 Å²	30.9	10%	0.097	16%	0.155	C	C	.	.			trans	-98.9	154.4	-179.8	-63.2	0	0	0	0	111.6	L189 I215 F218 A219 F298	L189-V191 HydrophobicContact CB-CG1 3.84Å; L189-V191 PolarHBondContact O-N 3.37Å; V191-I215 HydrophobicContact CB-CD1 4.04Å; V191-I215 HydrophobicContact CB-CG1 4.06Å; V191-I215 HydrophobicContact CG1-CD1 4.1Å; V191-I215 HydrophobicContact CG2-CG1 4.44Å; V191-F218 HydrophobicContact CG1-CB 4.19Å; V191-F218 HydrophobicContact CG2-CB 4.08Å; V191-A219 HydrophobicContact CG2-CB 3.93Å; V191-F298 HydrophobicContact CB-CE2 4.34Å; V191-F298 HydrophobicContact CG1-CE1 4.42Å; V191-F298 HydrophobicContact CG1-CE2 4.44Å; V191-F298 HydrophobicContact CG1-CZ 4.32Å
192	F	90.2	Very high	81.7	Confident	7 Å²	7	36.7 Å²	36.7	3%	0.031	18%	0.181	C	C	.	.			trans	-144.8	159.8	176.2	54.2	-99.4	0	0	0	111	T194 I197 F298 H301 T302 Y456 N461	F192-T194 HydrophobicContact CD2-CG2 4.01Å; F192-T194 HydrophobicContact CE2-CG2 3.7Å; F192-I197 HydrophobicContact CE2-CD1 4.34Å; F192-F298 HydrophobicContact CD1-CD2 4.38Å; F192-F298 AromaticContact CD1-CE2 3.69Å; F192-F298 HydrophobicContact CD1-CE2 3.69Å; F192-F298 HydrophobicContact CD2-CD2 4.47Å; F192-F298 HydrophobicContact CE1-CD2 4.27Å; F192-F298 AromaticContact CE1-CE2 3.51Å; F192-F298 HydrophobicContact CE1-CE2 3.51Å; F192-F298 HydrophobicContact CE1-CZ 4.37Å; F192-F298 HydrophobicContact CE2-CD2 4.39Å; F192-F298 HydrophobicContact CE2-CE2 4.41Å; F192-F298 HydrophobicContact CG-CD2 4.48Å; F192-F298 HydrophobicContact CG-CE2 4.21Å; F192-F298 HydrophobicContact CZ-CD2 4.28Å; F192-F298 AromaticContact CZ-CE2 3.91Å; F192-F298 HydrophobicContact CZ-CE2 3.91Å; F192-H301 AromaticContact CE2-CD2 3.72Å; F192-H301 AromaticContact CZ-CD2 3.7Å; F192-T302 HydrophobicContact CE1-CG2 4.43Å; F192-T302 HydrophobicContact CZ-CG2 4.08Å; F192-Y456 AromaticContact CE1-CE1 3.85Å; F192-Y456 HydrophobicContact CE1-CE1 3.85Å; F192-Y456 AromaticContact CE1-CZ 3.93Å; F192-Y456 WeakPolarHBondContact CE1-OH 3.45Å; F192-Y456 AromaticContact CZ-CE1 3.93Å; F192-Y456 HydrophobicContact CZ-CE1 3.93Å; F192-Y456 HydrophobicContact CZ-CE2 4.4Å; F192-Y456 AromaticContact CZ-CZ 3.61Å; F192-Y456 WeakPolarHBondContact CZ-OH 3.05Å; F192-N461 HydrophobicContact CB-CB 4.2Å; F192-N461 HydrophobicContact CD1-CB 3.84Å; F192-N461 HydrophobicContact CD2-CB 3.64Å; F192-N461 WeakPolarHBondContact CD2-ND2 3.37Å; F192-N461 HydrophobicContact CE1-CB 4.06Å; F192-N461 HydrophobicContact CE2-CB 3.84Å; F192-N461 HydrophobicContact CG-CB 3.62Å; F192-N461 HydrophobicContact CZ-CB 4.06Å
193	N	87.1	Confident	79.9	Confident	18 Å²	18	38 Å²	38	10%	0.096	19%	0.189	C	C	.	.			trans	-74.2	130.7	173.9	-164.5	-13.6	0	0	0	111.2	D195 I215 N461	N193-D195 PolarHBondContact ND2-OD2 2.9Å; N193-D195 WeakPolarHBondContact OD1-CB 3.21Å; N193-D195 PolarHBondContact OD1-N 2.81Å; N193-D195 PolarHBondContact OD1-OD2 3.25Å; N193-D195 VanDerWaalsContact OD1-OD2 3.11Å; N193-I215 HydrophobicContact CB-CG2 4.17Å; N193-N461 PolarHBondContact O-ND2 3.33Å
194	T	84.7	Confident	77.9	Confident	4 Å²	4	45.6 Å²	45.6	3%	0.025	22%	0.218	C	C	.	.			trans	-100.1	-0.3	179.4	55.7	0	0	0	0	113.1	F192 D196 I197 S198 Q297 H301	F192-T194 HydrophobicContact CD2-CG2 4.01Å; F192-T194 HydrophobicContact CE2-CG2 3.7Å; T194-D196 PolarHBondContact O-N 3.09Å; T194-I197 PolarHBondContact O-N 3.45Å; T194-S198 WeakPolarHBondContact O-CB 3.45Å; T194-S198 PolarHBondContact O-N 3.33Å; T194-S198 PolarHBondContact O-OG 3.41Å; T194-Q297 VanDerWaalsContact OG1-CG 3.28Å; T194-Q297 WeakPolarHBondContact OG1-CG 3.32Å; T194-Q297 PolarHBondContact OG1-NE2 2.68Å; T194-H301 HydrophobicContact CG2-CB 3.92Å
195	D	81.1	Confident	75.6	Confident	47 Å²	47	53.3 Å²	53.3	25%	0.251	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-31.1	-178.6	-72.1	-27.2	0	0	0	113.8	N193 I197 K394	N193-D195 PolarHBondContact ND2-OD2 2.9Å; N193-D195 WeakPolarHBondContact OD1-CB 3.21Å; N193-D195 PolarHBondContact OD1-N 2.81Å; N193-D195 PolarHBondContact OD1-OD2 3.25Å; N193-D195 VanDerWaalsContact OD1-OD2 3.11Å; D195-I197 VanDerWaalsContact C-N 3.31Å; D195-K394 PolarHBondContact O-NZ 3.11Å
196	D	79.3	Confident	73.4	Confident	7 Å²	7	57.5 Å²	57.5	4%	0.037	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-26.5	177.3	-68.4	-35.5	0	0	0	111.9	T194 R387 K391 K394 H535	T194-D196 PolarHBondContact O-N 3.09Å; D196-R387 IonicContact OD1-NE 3.81Å; D196-R387 WeakPolarHBondContact OD2-CD 3.47Å; D196-R387 WeakPolarHBondContact OD2-CG 3.5Å; D196-R387 IonicContact OD2-CZ 2.94Å; D196-R387 IonicContact OD2-NE 2.87Å; D196-R387 PolarHBondContact OD2-NE 2.78Å; D196-R387 IonicContact OD2-NH2 3.55Å; D196-K391 WeakPolarHBondContact OD1-CE 3.39Å; D196-K391 IonicContact OD1-NZ 2.72Å; D196-K391 PolarHBondContact OD1-NZ 3.38Å; D196-K394 WeakPolarHBondContact O-CE 3.22Å; D196-K394 PolarHBondContact O-NZ 3.36Å; D196-H535 IonicContact OD1-CE1 2.85Å; D196-H535 PolarHBondContact OD1-CE1 3.22Å
197	I	78.5	Confident	71	Confident	6 Å²	6	60.4 Å²	60.4	3%	0.031	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-43.4	-174.9	-55.1	169.8	0	0	0	111.2	F192 T194 D195 I390 I459	F192-I197 HydrophobicContact CE2-CD1 4.34Å; T194-I197 PolarHBondContact O-N 3.45Å; D195-I197 VanDerWaalsContact C-N 3.31Å; I197-I390 HydrophobicContact CG1-CG2 4.11Å; I197-I459 HydrophobicContact CD1-CG2 4.16Å; I197-I459 HydrophobicContact CG1-CG2 4.2Å; I197-I459 HydrophobicContact CG2-CB 3.89Å; I197-I459 HydrophobicContact CG2-CD1 3.73Å; I197-I459 HydrophobicContact CG2-CG1 4.45Å; I197-I459 HydrophobicContact CG2-CG2 3.79Å
198	S	72.2	Confident	68.7	Low	31 Å²	31	66.4 Å²	66.4	22%	0.217	33%	0.333	C	S	.	.			trans	-72.5	137.1	-175.4	61.1	0	0	0	0	112	T194 Q297	T194-S198 WeakPolarHBondContact O-CB 3.45Å; T194-S198 PolarHBondContact O-N 3.33Å; T194-S198 PolarHBondContact O-OG 3.41Å; S198-Q297 PolarHBondContact OG-NE2 2.89Å
199	S	60.2	Low	66.6	Low	70 Å²	70	71.1 Å²	71.1	49%	0.49	36%	0.357	S	S	.	.			trans	-92.6	-11.2	171.8	-66.1	0	0	0	0	112.5	K201	S199-K201 PolarHBondContact O-N 3.05Å
200	E	55	Low	64.7	Low	95 Å²	95	74.5 Å²	74.5	44%	0.444	38%	0.375	S	S	.	.			trans	-73.3	101	-168.2	-151.5	156.9	-139.3	0	0	110.3	Q202	E200-Q202 HydrophobicContact CG-CB 4.23Å; E200-Q202 HydrophobicContact CG-CG 4.23Å; E200-Q202 PolarHBondContact O-N 2.96Å
201	K	50.3	Low	63.2	Low	172 Å²	172	82 Å²	82	75%	0.748	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-65	-15	176.3	-67.9	-176.1	-179.8	179.6	0	112.8	S199 F203 R204	S199-K201 PolarHBondContact O-N 3.05Å; K201-F203 VanDerWaalsContact C-N 3.28Å; K201-F203 PolarHBondContact O-N 2.89Å; K201-R204 WeakPolarHBondContact O-CB 3.27Å; K201-R204 PolarHBondContact O-N 3.11Å
202	Q	46.5	Very low	62.4	Low	153 Å²	153	84.2 Å²	84.2	72%	0.715	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-60.3	-34.9	-168.9	-65.5	-163.9	-6.3	0	0	113.1	E200 R204	E200-Q202 HydrophobicContact CG-CB 4.23Å; E200-Q202 HydrophobicContact CG-CG 4.23Å; E200-Q202 PolarHBondContact O-N 2.96Å; Q202-R204 PolarHBondContact O-N 3.4Å
203	F	47.3	Very low	62.1	Low	95 Å²	95	87.2 Å²	87.2	42%	0.417	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-81.2	-10	178.1	-79.3	-81.5	0	0	0	114.5	K201 Q205	K201-F203 VanDerWaalsContact C-N 3.28Å; K201-F203 PolarHBondContact O-N 2.89Å; F203-Q205 VanDerWaalsContact C-N 3.25Å; F203-Q205 PolarHBondContact O-N 3.24Å
204	R	48.6	Very low	62.2	Low	161 Å²	161	87.1 Å²	87.1	61%	0.608	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-77.5	-8.4	176.8	-65.9	-166	-179.6	-167.7	-0.7	114	K201 Q202 T206	K201-R204 WeakPolarHBondContact O-CB 3.27Å; K201-R204 PolarHBondContact O-N 3.11Å; Q202-R204 PolarHBondContact O-N 3.4Å; R204-T206 PolarHBondContact O-N 3.43Å
205	Q	45.1	Very low	62.5	Low	184 Å²	184	87.7 Å²	87.7	86%	0.86	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-81.2	4.9	178.1	-96.3	-173.5	16.7	0	0	114.1	F203 S207	F203-Q205 VanDerWaalsContact C-N 3.25Å; F203-Q205 PolarHBondContact O-N 3.24Å; Q205-S207 PolarHBondContact O-N 3.29Å
206	T	47.3	Very low	63	Low	87 Å²	87	85.4 Å²	85.4	53%	0.534	42%	0.424	S	S	.	.	S	Bend	trans	-64.6	109.4	159.4	59.5	0	0	0	0	106.4	R204	R204-T206 PolarHBondContact O-N 3.43Å
207	S	44.9	Very low	63.7	Low	79 Å²	79	85.2 Å²	85.2	55%	0.552	42%	0.423	S	S	*	.			trans	-29.6	150.9	167.6	52.9	0	0	0	0	112.3	Q205 M209	Q205-S207 PolarHBondContact O-N 3.29Å; S207-M209 PolarHBondContact O-N 2.89Å; S207-M209 WeakPolarHBondContact OG-CG 3.5Å
208	D	47.5	Very low	64.4	Low	128 Å²	128	85 Å²	85	68%	0.684	42%	0.422	S	S	*	.	S	Bend	trans	-49.5	21.2	167.4	-92.8	-20.3	0	0	0	115.9	D210	D208-D210 VanDerWaalsContact C-N 3.29Å; D208-D210 PolarHBondContact O-N 2.68Å
209	M	51	Low	65.4	Low	117 Å²	117	83.7 Å²	83.7	58%	0.576	41%	0.413	S	S	*	.			trans	-57.7	96.3	164.5	-72.9	-67.6	173.2	0	0	108.5	S207 W211 T212	S207-M209 PolarHBondContact O-N 2.89Å; S207-M209 WeakPolarHBondContact OG-CG 3.5Å; M209-W211 PolarHBondContact O-N 3.28Å; M209-T212 HydrophobicContact CB-CG2 4.44Å; M209-T212 PolarHBondContact O-N 2.92Å
210	D	56.1	Low	66.9	Low	73 Å²	73	81 Å²	81	39%	0.39	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-11.9	177.1	-71.1	-44.7	0	0	0	114.3	D208 H495 R539	D208-D210 VanDerWaalsContact C-N 3.29Å; D208-D210 PolarHBondContact O-N 2.68Å; D210-H495 PolarHBondContact O-CE1 2.81Å; D210-R539 VanDerWaalsContact CA-NH2 3.32Å; D210-R539 IonicContact OD1-CZ 3.26Å; D210-R539 IonicContact OD1-NE 3.24Å; D210-R539 IonicContact OD1-NH2 3.05Å; D210-R539 PolarHBondContact OD1-NH2 2.8Å
211	W	61.6	Low	68.6	Low	173 Å²	173	78.7 Å²	78.7	66%	0.655	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	16.2	-168.1	-52.9	97.7	0	0	0	114.2	M209 N491 L493	M209-W211 PolarHBondContact O-N 3.28Å; W211-N491 WeakPolarHBondContact CZ3-ND2 3.43Å; W211-L493 HydrophobicContact CE3-CD1 4.06Å; W211-L493 WeakPolarHBondContact O-CD2 3.22Å
212	T	76.3	Confident	70.5	Confident	62 Å²	62	74.4 Å²	74.4	38%	0.38	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-87.9	135.9	173.2	60.6	0	0	0	0	111.6	M209 S214 H495	M209-T212 HydrophobicContact CB-CG2 4.44Å; M209-T212 PolarHBondContact O-N 2.92Å; T212-S214 PolarHBondContact O-N 3.03Å; T212-H495 PolarHBondContact O-NE2 3.33Å
213	N	84.3	Confident	72.7	Confident	70 Å²	70	67.1 Å²	67.1	37%	0.374	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-61.5	130.3	172.2	-67.2	-26.9	0	0	0	110.7	P294 L493	N213-P294 HydrophobicContact CB-CG 4.19Å; N213-P294 WeakPolarHBondContact O-CG 3.43Å; N213-L493 CarbonylContact C-O 3.56Å; N213-L493 WeakPolarHBondContact CA-O 3.43Å
214	S	88.7	Confident	74.9	Confident	16 Å²	16	62.7 Å²	62.7	11%	0.112	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-81.2	170.7	167.1	76.9	0	0	0	0	111.1	T212 S216 S217 L493 E541	T212-S214 PolarHBondContact O-N 3.03Å; S214-S216 PolarHBondContact O-N 3.28Å; S214-S216 WeakPolarHBondContact OG-CB 3.06Å; S214-S216 PolarHBondContact OG-N 3.01Å; S214-S217 VanDerWaalsContact O-CB 3.28Å; S214-S217 WeakPolarHBondContact O-CB 3.41Å; S214-S217 PolarHBondContact O-N 3.03Å; S214-S217 VanDerWaalsContact O-N 3.17Å; S214-S217 PolarHBondContact O-OG 3.04Å; S214-L493 PolarHBondContact N-O 2.86Å; S214-L493 PolarHBondContact OG-O 3.09Å; S214-E541 WeakPolarHBondContact CB-OE1 3.24Å; S214-E541 VanDerWaalsContact CB-OE2 3.22Å; S214-E541 WeakPolarHBondContact CB-OE2 3.42Å; S214-E541 PolarHBondContact OG-OE2 3.36Å
215	I	90.8	Very high	77	Confident	15 Å²	15	55 Å²	55	8%	0.077	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-31.6	172	-178	58.1	0	0	0	111.5	V191 N193 S217 F218 P294 L295 F298	V191-I215 HydrophobicContact CB-CD1 4.04Å; V191-I215 HydrophobicContact CB-CG1 4.06Å; V191-I215 HydrophobicContact CG1-CD1 4.1Å; V191-I215 HydrophobicContact CG2-CG1 4.44Å; N193-I215 HydrophobicContact CB-CG2 4.17Å; I215-S217 PolarHBondContact O-N 2.7Å; I215-F218 HydrophobicContact CD1-CD2 4.14Å; I215-F218 WeakPolarHBondContact O-CB 3.14Å; I215-F218 PolarHBondContact O-N 2.96Å; I215-P294 WeakPolarHBondContact CD1-O 3.01Å; I215-L295 HydrophobicContact CD1-CD1 4.08Å; I215-F298 HydrophobicContact CD1-CB 3.92Å; I215-F298 HydrophobicContact CD1-CG 4.31Å; I215-F298 HydrophobicContact CG1-CB 4.35Å
216	S	92.2	Very high	79.3	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-21	178.3	-49	0	0	0	0	112.9	S214 F218 A219 L220 G494 E541 T543	S214-S216 PolarHBondContact O-N 3.28Å; S214-S216 WeakPolarHBondContact OG-CB 3.06Å; S214-S216 PolarHBondContact OG-N 3.01Å; S216-F218 PolarHBondContact O-N 3.38Å; S216-A219 WeakPolarHBondContact O-CB 3.42Å; S216-A219 PolarHBondContact O-N 3.19Å; S216-L220 PolarHBondContact O-N 3.36Å; S216-G494 WeakPolarHBondContact CB-O 3.44Å; S216-E541 WeakPolarHBondContact CB-OE2 3.41Å; S216-E541 PolarHBondContact OG-OE2 2.65Å; S216-T543 PolarHBondContact OG-OG1 3.44Å
217	S	92.6	Very high	81.4	Confident	3 Å²	3	42.1 Å²	42.1	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-57.6	-28.6	170.1	73.3	0	0	0	0	112	S214 I215 L220 R221 R492	S214-S217 VanDerWaalsContact O-CB 3.28Å; S214-S217 WeakPolarHBondContact O-CB 3.41Å; S214-S217 PolarHBondContact O-N 3.03Å; S214-S217 VanDerWaalsContact O-N 3.17Å; S214-S217 PolarHBondContact O-OG 3.04Å; I215-S217 PolarHBondContact O-N 2.7Å; S217-L220 PolarHBondContact O-N 2.81Å; S217-R221 WeakPolarHBondContact O-CG 3.47Å; S217-R221 PolarHBondContact O-N 3.14Å; S217-R221 PolarHBondContact O-NE 3.29Å; S217-R492 WeakPolarHBondContact CB-O 3.33Å
218	F	93.2	Very high	83.5	Confident	1 Å²	1	38.4 Å²	38.4	0%	0.004	19%	0.187	C	C	.	.	H	α-helix	trans	-72.7	-28.3	176.5	-76.5	-94.2	0	0	0	113.5	L189 V191 I215 S216 L220 R221 F251 P292 P294 L295	L189-F218 HydrophobicContact CD1-CD1 4.01Å; V191-F218 HydrophobicContact CG1-CB 4.19Å; V191-F218 HydrophobicContact CG2-CB 4.08Å; I215-F218 HydrophobicContact CD1-CD2 4.14Å; I215-F218 WeakPolarHBondContact O-CB 3.14Å; I215-F218 PolarHBondContact O-N 2.96Å; S216-F218 PolarHBondContact O-N 3.38Å; F218-L220 VanDerWaalsContact C-N 3.26Å; F218-L220 PolarHBondContact O-N 3.34Å; F218-R221 PolarHBondContact O-N 2.96Å; F218-F251 HydrophobicContact CE1-CE2 4.29Å; F218-P292 HydrophobicContact CZ-CB 3.99Å; F218-P292 HydrophobicContact CZ-CG 3.97Å; F218-P294 HydrophobicContact CE2-CB 4.2Å; F218-L295 HydrophobicContact CE1-CB 4.43Å; F218-L295 HydrophobicContact CE1-CD2 4.05Å; F218-L295 HydrophobicContact CE2-CB 4.01Å; F218-L295 HydrophobicContact CZ-CB 3.88Å; F218-L295 HydrophobicContact CZ-CD2 4.26Å
219	A	93.2	Very high	85.4	Confident	3 Å²	3	32.7 Å²	32.7	3%	0.025	16%	0.156	C	C	.	.	H	α-helix	trans	-70.6	-25.2	174.1	0	0	0	0	0	112.3	V191 S216 R478 K482 Y542	V191-A219 HydrophobicContact CG2-CB 3.93Å; S216-A219 WeakPolarHBondContact O-CB 3.42Å; S216-A219 PolarHBondContact O-N 3.19Å; A219-R478 PolarHBondContact O-NH2 3.25Å; A219-K482 PolarHBondContact O-NZ 3.48Å; A219-K482 VanDerWaalsContact O-NZ 3.07Å; A219-Y542 HydrophobicContact CB-CD1 3.66Å; A219-Y542 HydrophobicContact CB-CE1 3.74Å
220	L	92.4	Very high	87	Confident	14 Å²	14	29.2 Å²	29.2	7%	0.073	14%	0.14	C	C	.	.	H	α-helix	trans	-78.1	-25.5	175.9	-67.7	173.5	0	0	0	113.2	S216 S217 F218 K482 F485 L486 Y542	S216-L220 PolarHBondContact O-N 3.36Å; S217-L220 PolarHBondContact O-N 2.81Å; F218-L220 VanDerWaalsContact C-N 3.26Å; F218-L220 PolarHBondContact O-N 3.34Å; L220-K482 VanDerWaalsContact C-NZ 3.31Å; L220-K482 HydrophobicContact CD2-CG 4.26Å; L220-K482 VanDerWaalsContact O-CE 3.25Å; L220-K482 WeakPolarHBondContact O-CE 3.16Å; L220-K482 PolarHBondContact O-NZ 3.47Å; L220-F485 HydrophobicContact CD1-CD1 3.83Å; L220-F485 HydrophobicContact CD1-CE1 3.99Å; L220-F485 HydrophobicContact CD2-CD1 4.13Å; L220-L486 HydrophobicContact CB-CD2 4.46Å; L220-L486 HydrophobicContact CD1-CD2 4.06Å; L220-L486 HydrophobicContact CD2-CD2 4.31Å; L220-L486 HydrophobicContact CD2-CG 4.24Å; L220-Y542 HydrophobicContact CD1-CG 4.49Å; L220-Y542 HydrophobicContact CD2-CD1 4.11Å; L220-Y542 HydrophobicContact CD2-CD2 3.4Å; L220-Y542 HydrophobicContact CD2-CE1 4.34Å; L220-Y542 HydrophobicContact CD2-CE2 3.62Å; L220-Y542 HydrophobicContact CD2-CG 3.65Å; L220-Y542 HydrophobicContact CG-CD1 4.24Å; L220-Y542 HydrophobicContact CG-CD2 4.19Å; L220-Y542 HydrophobicContact CG-CG 3.92Å
221	R	91.3	Very high	88.4	Confident	46 Å²	46	26.6 Å²	26.6	17%	0.174	13%	0.127	C	C	.	.			trans	-65.8	157.7	-179	-67.4	163.8	-162.4	-129	9.2	112.4	S217 F218 F223 E238 K482	S217-R221 WeakPolarHBondContact O-CG 3.47Å; S217-R221 PolarHBondContact O-N 3.14Å; S217-R221 PolarHBondContact O-NE 3.29Å; F218-R221 PolarHBondContact O-N 2.96Å; R221-F223 HydrophobicContact CB-CD2 4.43Å; R221-F223 HydrophobicContact CB-CE2 3.65Å; R221-F223 HydrophobicContact CB-CZ 4.06Å; R221-E238 WeakPolarHBondContact CD-OE1 3.23Å; R221-E238 WeakPolarHBondContact CG-OE1 3.31Å; R221-E238 IonicContact CZ-OE1 2.67Å; R221-E238 IonicContact NE-OE1 3.89Å; R221-E238 IonicContact NH1-OE1 2.65Å; R221-E238 PolarHBondContact NH1-OE1 2.96Å; R221-E238 IonicContact NH1-OE2 3.27Å; R221-E238 PolarHBondContact NH1-OE2 3.48Å; R221-K482 PolarHBondContact O-NZ 3.31Å
222	K	88.9	Confident	89.7	Confident	82 Å²	82	18.6 Å²	18.6	36%	0.357	10%	0.097	S	C	.	.			trans	-115.8	131.3	174.1	-171.1	177.7	-169.7	-172.2	0	108.3	M141 D239	M141-K222 HydrophobicContact CE-CD 3.62Å; M141-K222 HydrophobicContact CE-CG 4.3Å; M141-K222 PolarHBondContact SD-NZ 2.92Å; K222-D239 HydrophobicContact CB-CB 4.26Å; K222-D239 WeakPolarHBondContact O-CB 3.44Å; K222-D239 PolarHBondContact O-N 3.42Å
223	F	93.5	Very high	90.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	142.4	177.4	-63.4	-95.1	0	0	0	110.4	T186 A187 L189 R221 L236 Y237 E238 F251	T186-F223 WeakPolarHBondContact CA-O 3.24Å; A187-F223 HydrophobicContact CB-CB 4.34Å; A187-F223 PolarHBondContact N-O 2.95Å; A187-F223 WeakPolarHBondContact O-CB 3.44Å; A187-F223 PolarHBondContact O-N 3.46Å; A187-F223 VanDerWaalsContact O-N 3.1Å; L189-F223 HydrophobicContact CD1-CE1 4.27Å; L189-F223 HydrophobicContact CD1-CE2 3.78Å; L189-F223 HydrophobicContact CD1-CZ 3.51Å; L189-F223 HydrophobicContact CD2-CE2 4.4Å; L189-F223 HydrophobicContact CG-CD2 4.14Å; L189-F223 HydrophobicContact CG-CE2 3.59Å; L189-F223 HydrophobicContact CG-CZ 3.82Å; R221-F223 HydrophobicContact CB-CD2 4.43Å; R221-F223 HydrophobicContact CB-CE2 3.65Å; R221-F223 HydrophobicContact CB-CZ 4.06Å; F223-L236 HydrophobicContact CB-CD1 3.94Å; F223-L236 HydrophobicContact CB-CD2 4.16Å; F223-L236 HydrophobicContact CB-CG 4.04Å; F223-L236 HydrophobicContact CD1-CD2 4.02Å; F223-L236 HydrophobicContact CD1-CG 4.17Å; F223-L236 HydrophobicContact CG-CD2 4.29Å; F223-L236 HydrophobicContact CG-CG 4.49Å; F223-Y237 CarbonylContact C-O 3.5Å; F223-Y237 VanDerWaalsContact CA-O 3.25Å; F223-Y237 WeakPolarHBondContact CA-O 3.44Å; F223-E238 HydrophobicContact CD1-CB 4.16Å; F223-E238 HydrophobicContact CE1-CB 3.91Å; F223-E238 HydrophobicContact CE1-CG 4.09Å; F223-E238 HydrophobicContact CZ-CG 4.37Å; F223-F251 HydrophobicContact CD1-CB 4.29Å; F223-F251 HydrophobicContact CD1-CD1 4.18Å; F223-F251 HydrophobicContact CD1-CG 4.15Å; F223-F251 HydrophobicContact CE1-CB 4.1Å; F223-F251 AromaticContact CE1-CD1 3.8Å; F223-F251 HydrophobicContact CE1-CD1 3.8Å; F223-F251 AromaticContact CE1-CD2 3.78Å; F223-F251 HydrophobicContact CE1-CD2 3.78Å; F223-F251 HydrophobicContact CE1-CE1 4.14Å; F223-F251 HydrophobicContact CE1-CE2 4.13Å; F223-F251 AromaticContact CE1-CG 3.6Å; F223-F251 HydrophobicContact CE1-CG 3.6Å; F223-F251 HydrophobicContact CE1-CZ 4.3Å; F223-F251 HydrophobicContact CZ-CE2 4.49Å
224	I	92.9	Very high	90.8	Very high	3 Å²	3	12.5 Å²	12.5	2%	0.015	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	131.5	179.6	-46.8	170.5	0	0	0	106.7	M141 V142 L147 Y237 D239	M141-I224 HydrophobicContact CB-CD1 4.3Å; M141-I224 HydrophobicContact CE-CD1 3.4Å; M141-I224 HydrophobicContact CE-CG1 3.35Å; V142-I224 HydrophobicContact CB-CD1 4.43Å; V142-I224 HydrophobicContact CG2-CD1 4.16Å; L147-I224 HydrophobicContact CD1-CG2 3.84Å; I224-Y237 PolarHBondContact N-O 2.69Å; I224-Y237 WeakPolarHBondContact O-CA 3.5Å; I224-Y237 PolarHBondContact O-N 2.89Å; I224-D239 HydrophobicContact CD1-CB 3.89Å; I224-D239 HydrophobicContact CG1-CB 4.21Å
225	G	93.1	Very high	90.9	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	159.3	173.6	0	0	0	0	0	113.1	F185 A235	F185-G225 VanDerWaalsContact CD1-C 3.48Å; F185-G225 WeakPolarHBondContact CD1-O 3.38Å; F185-G225 VanDerWaalsContact CZ-CA 3.43Å; F185-G225 PolarHBondContact N-O 3.37Å; F185-G225 PolarHBondContact O-N 3.44Å; G225-A235 WeakPolarHBondContact CA-O 3.3Å
226	I	93	Very high	91	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	130.1	172.7	-173.2	178.7	0	0	0	107.4	I148 S151 R182 W184 F228 W234 A235 Y237	I148-I226 HydrophobicContact CG1-CD1 4.07Å; S151-I226 WeakPolarHBondContact OG-CG2 2.95Å; R182-I226 HydrophobicContact CB-CD1 4.41Å; R182-I226 HydrophobicContact CB-CG1 4.31Å; W184-I226 HydrophobicContact CE3-CB 4.15Å; W184-I226 HydrophobicContact CE3-CG1 4.37Å; W184-I226 HydrophobicContact CH2-CB 4.29Å; W184-I226 HydrophobicContact CH2-CD1 3.56Å; W184-I226 HydrophobicContact CH2-CG1 4.09Å; W184-I226 HydrophobicContact CZ2-CD1 3.86Å; W184-I226 HydrophobicContact CZ2-CG1 4.37Å; W184-I226 HydrophobicContact CZ3-CB 3.82Å; W184-I226 HydrophobicContact CZ3-CD1 4Å; W184-I226 HydrophobicContact CZ3-CG1 4.06Å; I226-F228 HydrophobicContact CD1-CE1 4.05Å; I226-F228 HydrophobicContact CD1-CE2 4.34Å; I226-F228 HydrophobicContact CD1-CZ 3.6Å; I226-F228 HydrophobicContact CG1-CE1 4.41Å; I226-F228 HydrophobicContact CG1-CE2 4.25Å; I226-F228 HydrophobicContact CG1-CZ 3.94Å; I226-F228 HydrophobicContact CG2-CE2 4.17Å; I226-F228 HydrophobicContact CG2-CZ 4.37Å; I226-W234 CarbonylContact O-C 3.55Å; I226-W234 VanDerWaalsContact O-CA 3.27Å; I226-W234 WeakPolarHBondContact O-CA 3.28Å; I226-W234 WeakPolarHBondContact O-CB 3.34Å; I226-A235 HydrophobicContact CG2-CB 4.28Å; I226-A235 PolarHBondContact N-O 2.68Å; I226-A235 VanDerWaalsContact N-O 3.16Å; I226-A235 PolarHBondContact O-N 2.84Å; I226-Y237 HydrophobicContact CG2-CE2 4Å
227	A	92.3	Very high	90.9	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	151.1	-180	0	0	0	0	0	111	R182 I183 F185 W234 P271 F275	R182-A227 CarbonylContact C-O 3.57Å; R182-A227 VanDerWaalsContact CA-O 3.22Å; R182-A227 WeakPolarHBondContact CA-O 3.47Å; I183-A227 HydrophobicContact CB-CB 4.38Å; I183-A227 PolarHBondContact N-O 3.24Å; I183-A227 PolarHBondContact O-N 3.11Å; F185-A227 HydrophobicContact CD1-CB 4.46Å; F185-A227 HydrophobicContact CE1-CB 4.21Å; A227-W234 HydrophobicContact CB-CB 3.66Å; A227-P271 HydrophobicContact CB-CB 3.49Å; A227-P271 VanDerWaalsContact CB-CB 3.49Å; A227-P271 HydrophobicContact CB-CG 3.59Å; A227-F275 HydrophobicContact CB-CE1 4.43Å
228	F	89.2	Confident	90.8	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	92.1	-175.3	-60.7	-79.6	0	0	0	108.5	N178 F179 R182 I226 N230 D231 S232 T233 R254	N178-F228 WeakPolarHBondContact O-CD1 3.3Å; F179-F228 HydrophobicContact CD1-CD1 4.47Å; F179-F228 AromaticContact CD1-CE1 3.56Å; F179-F228 HydrophobicContact CD1-CE1 3.56Å; F179-F228 HydrophobicContact CD1-CZ 4.01Å; F179-F228 AromaticContact CE1-CE1 3.87Å; F179-F228 HydrophobicContact CE1-CE1 3.87Å; F179-F228 AromaticContact CE1-CZ 3.91Å; F179-F228 HydrophobicContact CE1-CZ 3.91Å; R182-F228 HydrophobicContact CB-CD1 4.35Å; R182-F228 HydrophobicContact CB-CE1 4.3Å; I226-F228 HydrophobicContact CD1-CE1 4.05Å; I226-F228 HydrophobicContact CD1-CE2 4.34Å; I226-F228 HydrophobicContact CD1-CZ 3.6Å; I226-F228 HydrophobicContact CG1-CE1 4.41Å; I226-F228 HydrophobicContact CG1-CE2 4.25Å; I226-F228 HydrophobicContact CG1-CZ 3.94Å; I226-F228 HydrophobicContact CG2-CE2 4.17Å; I226-F228 HydrophobicContact CG2-CZ 4.37Å; F228-N230 PolarHBondContact O-N 3.43Å; F228-N230 VanDerWaalsContact O-N 3.14Å; F228-D231 VanDerWaalsContact CB-OD1 3.27Å; F228-D231 WeakPolarHBondContact CB-OD1 3.34Å; F228-D231 PolarHBondContact O-N 3.43Å; F228-S232 WeakPolarHBondContact O-CA 3.39Å; F228-S232 PolarHBondContact O-N 3.27Å; F228-T233 PolarHBondContact N-O 2.97Å; F228-T233 PolarHBondContact O-N 3.13Å; F228-R254 VanDerWaalsContact CD2-NE 3.34Å; F228-R254 HydrophobicContact CE2-CG 4.42Å
229	P	87.5	Confident	90.3	Very high	8 Å²	8	12.4 Å²	12.4	5%	0.052	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-34.4	-176.5	-31	38.9	0	0	0	114	N181 I183 D231 S232 E272 A321	N181-P229 WeakPolarHBondContact O-CD 3.25Å; I183-P229 HydrophobicContact CD1-CG 3.53Å; I183-P229 HydrophobicContact CG1-CG 3.8Å; P229-D231 VanDerWaalsContact C-N 3.26Å; P229-D231 PolarHBondContact O-N 3.31Å; P229-S232 PolarHBondContact O-N 2.78Å; P229-E272 WeakPolarHBondContact CB-OE2 3.33Å; P229-A321 HydrophobicContact CB-CB 3.85Å; P229-A321 HydrophobicContact CG-CB 3.6Å
230	N	84.8	Confident	89.4	Confident	44 Å²	44	15.2 Å²	15.2	24%	0.235	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-32.1	-177.5	-68.9	3.1	0	0	0	114	P61 N178 N181 F228	P61-N230 WeakPolarHBondContact CB-O 3.44Å; N178-N230 WeakPolarHBondContact OD1-CB 3.42Å; N178-N230 PolarHBondContact OD1-ND2 2.73Å; N181-N230 PolarHBondContact ND2-OD1 2.97Å; F228-N230 PolarHBondContact O-N 3.43Å; F228-N230 VanDerWaalsContact O-N 3.14Å
231	D	84.5	Confident	88.3	Confident	19 Å²	19	20.9 Å²	20.9	10%	0.102	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	6.8	178.2	66.1	11.7	0	0	0	112.6	I59 F228 P229 T233 R254	I59-D231 HydrophobicContact CG2-CB 4.1Å; F228-D231 VanDerWaalsContact CB-OD1 3.27Å; F228-D231 WeakPolarHBondContact CB-OD1 3.34Å; F228-D231 PolarHBondContact O-N 3.43Å; P229-D231 VanDerWaalsContact C-N 3.26Å; P229-D231 PolarHBondContact O-N 3.31Å; D231-T233 HydrophobicContact CB-CG2 4.31Å; D231-T233 VanDerWaalsContact CG-OG1 3.23Å; D231-T233 PolarHBondContact O-N 2.98Å; D231-T233 VanDerWaalsContact OD1-CB 3.29Å; D231-T233 WeakPolarHBondContact OD1-CB 3.22Å; D231-T233 WeakPolarHBondContact OD1-CG2 3.3Å; D231-T233 PolarHBondContact OD1-N 3.28Å; D231-T233 PolarHBondContact OD1-OG1 3.42Å; D231-T233 PolarHBondContact OD2-OG1 3.24Å; D231-R254 IonicContact OD1-NH2 3.46Å; D231-R254 IonicContact OD2-CZ 2.8Å; D231-R254 IonicContact OD2-NH2 3.49Å; D231-R254 PolarHBondContact OD2-NH2 2.96Å
232	S	88.7	Confident	86.8	Confident	4 Å²	4	22.8 Å²	22.8	3%	0.028	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	17	-176	-48.5	0	0	0	0	114.6	F228 P229	F228-S232 WeakPolarHBondContact O-CA 3.39Å; F228-S232 PolarHBondContact O-N 3.27Å; P229-S232 PolarHBondContact O-N 2.78Å
233	T	89.1	Confident	85.6	Confident	4 Å²	4	22.5 Å²	22.5	3%	0.025	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	153.8	178.1	68.8	0	0	0	0	111.4	F228 D231 R254 S255 L256	F228-T233 PolarHBondContact N-O 2.97Å; F228-T233 PolarHBondContact O-N 3.13Å; D231-T233 HydrophobicContact CB-CG2 4.31Å; D231-T233 VanDerWaalsContact CG-OG1 3.23Å; D231-T233 PolarHBondContact O-N 2.98Å; D231-T233 VanDerWaalsContact OD1-CB 3.29Å; D231-T233 WeakPolarHBondContact OD1-CB 3.22Å; D231-T233 WeakPolarHBondContact OD1-CG2 3.3Å; D231-T233 PolarHBondContact OD1-N 3.28Å; D231-T233 PolarHBondContact OD1-OG1 3.42Å; D231-T233 PolarHBondContact OD2-OG1 3.24Å; T233-R254 PolarHBondContact OG1-NE 3.42Å; T233-R254 PolarHBondContact OG1-NH2 3.08Å; T233-S255 VanDerWaalsContact CA-O 3.32Å; T233-S255 WeakPolarHBondContact CA-O 3.19Å; T233-S255 WeakPolarHBondContact CB-O 3.46Å; T233-L256 HydrophobicContact CG2-CB 4.45Å
234	W	94.2	Very high	84.1	Confident	0 Å²	0	30 Å²	30	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	161.2	174.2	57.6	-86.5	0	0	0	111	F185 I226 A227 L236 L252 R254 S255 Y257 F275 L281 V283 I308	F185-W234 AromaticContact CZ-CE3 3.88Å; F185-W234 HydrophobicContact CZ-CE3 3.88Å; F185-W234 HydrophobicContact CZ-CZ3 4.39Å; I226-W234 CarbonylContact O-C 3.55Å; I226-W234 VanDerWaalsContact O-CA 3.27Å; I226-W234 WeakPolarHBondContact O-CA 3.28Å; I226-W234 WeakPolarHBondContact O-CB 3.34Å; A227-W234 HydrophobicContact CB-CB 3.66Å; W234-L236 HydrophobicContact CZ3-CB 4.14Å; W234-L252 HydrophobicContact CH2-CD1 3.75Å; W234-L252 HydrophobicContact CZ3-CD1 3.76Å; W234-R254 WeakPolarHBondContact O-CA 3.25Å; W234-S255 PolarHBondContact N-O 3.25Å; W234-S255 VanDerWaalsContact N-O 3.09Å; W234-S255 PolarHBondContact O-N 3.49Å; W234-S255 VanDerWaalsContact O-N 3.14Å; W234-Y257 AromaticContact CD2-CD2 3.83Å; W234-Y257 HydrophobicContact CD2-CD2 3.83Å; W234-Y257 HydrophobicContact CD2-CE2 4.33Å; W234-Y257 AromaticContact CE2-CD2 3.36Å; W234-Y257 AromaticContact CE2-CG 3.81Å; W234-Y257 HydrophobicContact CE3-CD2 4.36Å; W234-Y257 HydrophobicContact CE3-CE2 4.47Å; W234-Y257 HydrophobicContact CG-CD2 4.33Å; W234-Y257 HydrophobicContact CH2-CD2 4.1Å; W234-Y257 HydrophobicContact CH2-CE2 4.46Å; W234-Y257 HydrophobicContact CH2-CG 4.29Å; W234-Y257 HydrophobicContact CZ2-CD1 4.41Å; W234-Y257 AromaticContact CZ2-CD2 3.53Å; W234-Y257 HydrophobicContact CZ2-CD2 3.53Å; W234-Y257 HydrophobicContact CZ2-CE2 4.31Å; W234-Y257 AromaticContact CZ2-CG 3.59Å; W234-Y257 HydrophobicContact CZ2-CG 3.59Å; W234-Y257 HydrophobicContact CZ3-CD2 4.49Å; W234-Y257 AromaticContact NE1-CD2 3.62Å; W234-Y257 WeakPolarHBondContact O-CE2 3.38Å; W234-F275 AromaticContact CD1-CZ 3.87Å; W234-F275 HydrophobicContact CD2-CE1 4.28Å; W234-F275 AromaticContact CD2-CZ 3.87Å; W234-F275 HydrophobicContact CD2-CZ 3.87Å; W234-F275 AromaticContact CE2-CZ 3.84Å; W234-F275 HydrophobicContact CG-CE1 4.23Å; W234-F275 AromaticContact CG-CZ 3.89Å; W234-F275 HydrophobicContact CG-CZ 3.89Å; W234-F275 HydrophobicContact CZ2-CZ 4.45Å; W234-F275 AromaticContact NE1-CZ 3.82Å; W234-L281 HydrophobicContact CH2-CD1 4.37Å; W234-L281 HydrophobicContact CZ2-CD1 4.26Å; W234-V283 HydrophobicContact CH2-CG1 4.04Å; W234-V283 HydrophobicContact CZ2-CG1 3.85Å; W234-I308 HydrophobicContact CH2-CD1 3.96Å; W234-I308 HydrophobicContact CZ3-CD1 4.44Å
235	A	91.4	Very high	82.7	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	152.6	177.2	0	0	0	0	0	110	G225 I226 Y237 R254	G225-A235 WeakPolarHBondContact CA-O 3.3Å; I226-A235 HydrophobicContact CG2-CB 4.28Å; I226-A235 PolarHBondContact N-O 2.68Å; I226-A235 VanDerWaalsContact N-O 3.16Å; I226-A235 PolarHBondContact O-N 2.84Å; A235-Y237 HydrophobicContact CB-CD2 4.43Å; A235-Y237 HydrophobicContact CB-CE2 3.61Å; A235-R254 HydrophobicContact CB-CB 4.02Å
236	L	93.2	Very high	81.5	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	133.5	175.6	-162.6	68.6	0	0	0	110.3	F185 A187 F223 W234 F251 L252 I308	F185-L236 HydrophobicContact CE2-CD1 3.68Å; F185-L236 HydrophobicContact CZ-CD1 4.04Å; A187-L236 HydrophobicContact CB-CD1 4.26Å; F223-L236 HydrophobicContact CB-CD1 3.94Å; F223-L236 HydrophobicContact CB-CD2 4.16Å; F223-L236 HydrophobicContact CB-CG 4.04Å; F223-L236 HydrophobicContact CD1-CD2 4.02Å; F223-L236 HydrophobicContact CD1-CG 4.17Å; F223-L236 HydrophobicContact CG-CD2 4.29Å; F223-L236 HydrophobicContact CG-CG 4.49Å; W234-L236 HydrophobicContact CZ3-CB 4.14Å; L236-F251 HydrophobicContact CD2-CD1 4.02Å; L236-F251 WeakPolarHBondContact O-CA 3.45Å; L236-F251 WeakPolarHBondContact O-CB 3.38Å; L236-F251 PolarHBondContact O-N 2.88Å; L236-L252 HydrophobicContact CB-CB 3.79Å; L236-L252 HydrophobicContact CB-CD1 4.14Å; L236-L252 HydrophobicContact CB-CG 4.14Å; L236-L252 HydrophobicContact CD2-CD1 4.24Å; L236-L252 PolarHBondContact N-O 3.37Å; L236-L252 PolarHBondContact O-N 3.2Å; L236-I308 HydrophobicContact CD2-CD1 4.1Å; L236-I308 HydrophobicContact CD2-CG2 4.4Å
237	Y	90.7	Very high	80.7	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	142.3	-179.5	-59.6	-94.5	0	0	0	109.6	L147 S151 F223 I224 I226 A235 P248 L249 P250	L147-Y237 HydrophobicContact CD2-CD1 3.94Å; L147-Y237 HydrophobicContact CD2-CD2 3.27Å; L147-Y237 HydrophobicContact CD2-CE1 4.2Å; L147-Y237 HydrophobicContact CD2-CE2 3.56Å; L147-Y237 HydrophobicContact CD2-CG 3.48Å; L147-Y237 VanDerWaalsContact CD2-CG 3.48Å; S151-Y237 WeakPolarHBondContact CA-OH 3.18Å; S151-Y237 PolarHBondContact N-OH 2.76Å; S151-Y237 PolarHBondContact OG-OH 3.44Å; F223-Y237 CarbonylContact C-O 3.5Å; F223-Y237 VanDerWaalsContact CA-O 3.25Å; F223-Y237 WeakPolarHBondContact CA-O 3.44Å; I224-Y237 PolarHBondContact N-O 2.69Å; I224-Y237 WeakPolarHBondContact O-CA 3.5Å; I224-Y237 PolarHBondContact O-N 2.89Å; I226-Y237 HydrophobicContact CG2-CE2 4Å; A235-Y237 HydrophobicContact CB-CD2 4.43Å; A235-Y237 HydrophobicContact CB-CE2 3.61Å; Y237-P248 HydrophobicContact CD1-CB 3.98Å; Y237-P248 HydrophobicContact CG-CB 4.11Å; Y237-L249 CarbonylContact C-O 3.57Å; Y237-L249 VanDerWaalsContact CA-O 3.24Å; Y237-L249 WeakPolarHBondContact CA-O 3.46Å; Y237-P250 HydrophobicContact CD1-CB 4.28Å; Y237-P250 HydrophobicContact CD1-CG 4.17Å; Y237-P250 HydrophobicContact CE1-CB 4.22Å; Y237-P250 HydrophobicContact CE1-CG 3.99Å
238	E	89.5	Confident	80.1	Confident	16 Å²	16	39.3 Å²	39.3	8%	0.075	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	131	167.3	-170.9	-176.8	173.7	0	0	109.3	R221 F223 H240 P248 L249	R221-E238 WeakPolarHBondContact CD-OE1 3.23Å; R221-E238 WeakPolarHBondContact CG-OE1 3.31Å; R221-E238 IonicContact CZ-OE1 2.67Å; R221-E238 IonicContact NE-OE1 3.89Å; R221-E238 IonicContact NH1-OE1 2.65Å; R221-E238 PolarHBondContact NH1-OE1 2.96Å; R221-E238 IonicContact NH1-OE2 3.27Å; R221-E238 PolarHBondContact NH1-OE2 3.48Å; F223-E238 HydrophobicContact CD1-CB 4.16Å; F223-E238 HydrophobicContact CE1-CB 3.91Å; F223-E238 HydrophobicContact CE1-CG 4.09Å; F223-E238 HydrophobicContact CZ-CG 4.37Å; E238-H240 WeakPolarHBondContact CG-NE2 3.5Å; E238-H240 PolarHBondContact O-N 3.46Å; E238-H240 IonicContact OE1-CE1 3.16Å; E238-H240 IonicContact OE1-NE2 2.68Å; E238-H240 PolarHBondContact OE1-NE2 3.22Å; E238-H240 IonicContact OE2-CD2 3.28Å; E238-H240 IonicContact OE2-CE1 3.77Å; E238-H240 IonicContact OE2-NE2 3.15Å; E238-H240 PolarHBondContact OE2-NE2 3.04Å; E238-P248 WeakPolarHBondContact O-CA 3.24Å; E238-L249 HydrophobicContact CB-CB 4.48Å; E238-L249 PolarHBondContact N-O 2.73Å; E238-L249 PolarHBondContact O-N 3.26Å
239	D	82.5	Confident	79.9	Confident	17 Å²	17	43.7 Å²	43.7	9%	0.091	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	100.8	176.1	-176.1	5.9	0	0	0	110.2	K222 I224 S246	K222-D239 HydrophobicContact CB-CB 4.26Å; K222-D239 WeakPolarHBondContact O-CB 3.44Å; K222-D239 PolarHBondContact O-N 3.42Å; I224-D239 HydrophobicContact CD1-CB 3.89Å; I224-D239 HydrophobicContact CG1-CB 4.21Å; D239-S246 WeakPolarHBondContact OD1-CB 3.47Å; D239-S246 PolarHBondContact OD1-OG 3.41Å
240	H	75.8	Confident	79.8	Confident	63 Å²	63	45.9 Å²	45.9	29%	0.292	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	118.9	173.8	-74.4	-99.4	0	0	0	110.7	E238 S246 K247 L249	E238-H240 WeakPolarHBondContact CG-NE2 3.5Å; E238-H240 PolarHBondContact O-N 3.46Å; E238-H240 IonicContact OE1-CE1 3.16Å; E238-H240 IonicContact OE1-NE2 2.68Å; E238-H240 PolarHBondContact OE1-NE2 3.22Å; E238-H240 IonicContact OE2-CD2 3.28Å; E238-H240 IonicContact OE2-CE1 3.77Å; E238-H240 IonicContact OE2-NE2 3.15Å; E238-H240 PolarHBondContact OE2-NE2 3.04Å; H240-S246 CarbonylContact O-C 3.55Å; H240-S246 VanDerWaalsContact O-CA 3.32Å; H240-S246 WeakPolarHBondContact O-CA 3.39Å; H240-K247 WeakPolarHBondContact CB-O 3.27Å; H240-K247 PolarHBondContact N-O 2.92Å; H240-K247 PolarHBondContact O-N 3.31Å; H240-L249 VanDerWaalsContact CD2-CB 3.44Å; H240-L249 WeakPolarHBondContact CD2-CB 3.42Å
241	K	68.7	Low	80	Confident	132 Å²	132	44.4 Å²	44.4	57%	0.574	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	116.5	171	-63.7	-165.7	177.5	-169.8	0	109.8
242	V	58.6	Low	80.3	Confident	87 Å²	87	43.6 Å²	43.6	53%	0.527	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	99.1	171.8	-177.4	0	0	0	0	107.7	V244 S245	V242-V244 PolarHBondContact O-N 3.48Å; V242-S245 CarbonylContact C-O 3.55Å; V242-S245 PolarHBondContact N-O 2.87Å; V242-S245 PolarHBondContact O-N 3.45Å; V242-S245 VanDerWaalsContact O-O 3.09Å
243	G	64.1	Low	80.3	Confident	75 Å²	75	50 Å²	50	77%	0.773	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	-125.4	-170.9	0	0	0	0	0	111.1
244	V	61.8	Low	80.3	Confident	159 Å²	159	50.7 Å²	50.7	96%	0.964	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-18.6	179.4	-165.4	0	0	0	0	112.1	V242	V242-V244 PolarHBondContact O-N 3.48Å
245	S	65	Low	80	Confident	59 Å²	59	53.1 Å²	53.1	41%	0.413	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	139.5	-176.6	-170.7	0	0	0	0	111.5	V242	V242-S245 CarbonylContact C-O 3.55Å; V242-S245 PolarHBondContact N-O 2.87Å; V242-S245 PolarHBondContact O-N 3.45Å; V242-S245 VanDerWaalsContact O-O 3.09Å
246	S	67.6	Low	79.9	Confident	17 Å²	17	55.8 Å²	55.8	12%	0.119	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	130.9	165.1	173.7	0	0	0	0	110.3	V142 D239 H240	V142-S246 WeakPolarHBondContact CG2-OG 3.49Å; D239-S246 WeakPolarHBondContact OD1-CB 3.47Å; D239-S246 PolarHBondContact OD1-OG 3.41Å; H240-S246 CarbonylContact O-C 3.55Å; H240-S246 VanDerWaalsContact O-CA 3.32Å; H240-S246 WeakPolarHBondContact O-CA 3.39Å
247	K	75	Confident	79.9	Confident	117 Å²	117	57 Å²	57	51%	0.509	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	111.9	172.2	-69.7	-175.7	178.8	-179.9	0	108.2	H240 L249	H240-K247 WeakPolarHBondContact CB-O 3.27Å; H240-K247 PolarHBondContact N-O 2.92Å; H240-K247 PolarHBondContact O-N 3.31Å; K247-L249 PolarHBondContact O-N 3.39Å
248	P	80.5	Confident	80	Confident	5 Å²	5	60.8 Å²	60.8	3%	0.032	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	120.3	175.5	31.5	-36.3	0	0	0	109.1	V142 L147 Y150 Y237 E238	V142-P248 HydrophobicContact CG1-CB 4.19Å; V142-P248 HydrophobicContact CG1-CG 3.65Å; V142-P248 HydrophobicContact CG2-CB 4.03Å; V142-P248 HydrophobicContact CG2-CG 4.14Å; L147-P248 HydrophobicContact CD2-CB 3.66Å; L147-P248 HydrophobicContact CD2-CG 4Å; L147-P248 HydrophobicContact CG-CB 4.4Å; L147-P248 HydrophobicContact CG-CG 4.4Å; Y150-P248 HydrophobicContact CD2-CG 3.49Å; Y150-P248 VanDerWaalsContact CD2-CG 3.49Å; Y150-P248 HydrophobicContact CE2-CG 3.47Å; Y150-P248 VanDerWaalsContact CE2-CG 3.47Å; Y150-P248 HydrophobicContact CG-CG 4.43Å; Y237-P248 HydrophobicContact CD1-CB 3.98Å; Y237-P248 HydrophobicContact CG-CB 4.11Å; E238-P248 WeakPolarHBondContact O-CA 3.24Å
249	L	84.6	Confident	80.3	Confident	92 Å²	92	60.1 Å²	60.1	48%	0.482	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	126.1	172.2	-172.9	69.3	0	0	0	108.9	Y237 E238 H240 K247 F251	Y237-L249 CarbonylContact C-O 3.57Å; Y237-L249 VanDerWaalsContact CA-O 3.24Å; Y237-L249 WeakPolarHBondContact CA-O 3.46Å; E238-L249 HydrophobicContact CB-CB 4.48Å; E238-L249 PolarHBondContact N-O 2.73Å; E238-L249 PolarHBondContact O-N 3.26Å; H240-L249 VanDerWaalsContact CD2-CB 3.44Å; H240-L249 WeakPolarHBondContact CD2-CB 3.42Å; K247-L249 PolarHBondContact O-N 3.39Å; L249-F251 PolarHBondContact O-N 2.81Å
250	P	85.2	Confident	80.9	Confident	53 Å²	53	60.5 Å²	60.5	34%	0.344	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	123	175.8	-24.4	34	0	0	0	111.6	Q154 Y237	Q154-P250 VanDerWaalsContact NE2-CB 3.3Å; Y237-P250 HydrophobicContact CD1-CB 4.28Å; Y237-P250 HydrophobicContact CD1-CG 4.17Å; Y237-P250 HydrophobicContact CE1-CB 4.22Å; Y237-P250 HydrophobicContact CE1-CG 3.99Å
251	F	89.3	Confident	81.8	Confident	14 Å²	14	59.1 Å²	59.1	6%	0.061	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-45.2	176.9	-174.3	-99.5	0	0	0	111.4	L189 F218 F223 L236 L249 Y285 L295 L306	L189-F251 HydrophobicContact CD1-CE1 4.03Å; L189-F251 HydrophobicContact CD1-CZ 3.73Å; L189-F251 HydrophobicContact CD2-CE1 4.24Å; F218-F251 HydrophobicContact CE1-CE2 4.29Å; F223-F251 HydrophobicContact CD1-CB 4.29Å; F223-F251 HydrophobicContact CD1-CD1 4.18Å; F223-F251 HydrophobicContact CD1-CG 4.15Å; F223-F251 HydrophobicContact CE1-CB 4.1Å; F223-F251 AromaticContact CE1-CD1 3.8Å; F223-F251 HydrophobicContact CE1-CD1 3.8Å; F223-F251 AromaticContact CE1-CD2 3.78Å; F223-F251 HydrophobicContact CE1-CD2 3.78Å; F223-F251 HydrophobicContact CE1-CE1 4.14Å; F223-F251 HydrophobicContact CE1-CE2 4.13Å; F223-F251 AromaticContact CE1-CG 3.6Å; F223-F251 HydrophobicContact CE1-CG 3.6Å; F223-F251 HydrophobicContact CE1-CZ 4.3Å; F223-F251 HydrophobicContact CZ-CE2 4.49Å; L236-F251 HydrophobicContact CD2-CD1 4.02Å; L236-F251 WeakPolarHBondContact O-CA 3.45Å; L236-F251 WeakPolarHBondContact O-CB 3.38Å; L236-F251 PolarHBondContact O-N 2.88Å; L249-F251 PolarHBondContact O-N 2.81Å; F251-Y285 AromaticContact CE1-CE2 3.95Å; F251-Y285 HydrophobicContact CE1-CE2 3.95Å; F251-Y285 HydrophobicContact CE2-CE2 4.35Å; F251-Y285 AromaticContact CZ-CE2 3.84Å; F251-Y285 HydrophobicContact CZ-CE2 3.84Å; F251-L295 HydrophobicContact CE2-CD2 4.23Å; F251-L295 HydrophobicContact CZ-CD2 4.01Å; F251-L306 HydrophobicContact CE1-CD2 3.66Å; F251-L306 HydrophobicContact CZ-CD2 4.36Å
252	L	90.9	Very high	82.8	Confident	1 Å²	1	55 Å²	55	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.7	165.4	-66.1	177.8	0	0	0	108.5	W234 L236 Y257 V283 Y285 I308	W234-L252 HydrophobicContact CH2-CD1 3.75Å; W234-L252 HydrophobicContact CZ3-CD1 3.76Å; L236-L252 HydrophobicContact CB-CB 3.79Å; L236-L252 HydrophobicContact CB-CD1 4.14Å; L236-L252 HydrophobicContact CB-CG 4.14Å; L236-L252 HydrophobicContact CD2-CD1 4.24Å; L236-L252 PolarHBondContact N-O 3.37Å; L236-L252 PolarHBondContact O-N 3.2Å; L252-Y257 WeakPolarHBondContact CB-OH 3.37Å; L252-V283 HydrophobicContact CD1-CG2 4.12Å; L252-Y285 HydrophobicContact CD2-CD2 3.89Å; L252-Y285 HydrophobicContact CD2-CE2 3.97Å; L252-I308 HydrophobicContact CD1-CD1 3.73Å
253	R	87.9	Confident	84.2	Confident	140 Å²	140	56.1 Å²	56.1	53%	0.528	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	157.1	178.3	-70.1	-178.9	-179.2	145.7	0.8	110.5	Q154 S255 Y257	Q154-R253 VanDerWaalsContact OE1-CA 3.27Å; R253-S255 PolarHBondContact O-N 3.23Å; R253-S255 VanDerWaalsContact O-N 3.08Å; R253-Y257 WeakPolarHBondContact O-CE2 3.37Å; R253-Y257 PolarHBondContact O-OH 2.8Å
254	R	89.1	Confident	85.5	Confident	17 Å²	17	53.6 Å²	53.6	6%	0.064	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	117.2	172.6	-175.1	-179.3	174.2	175.8	-0.2	110	F179 F228 D231 T233 W234 A235	F179-R254 VanDerWaalsContact CE1-NH1 3.32Å; F228-R254 VanDerWaalsContact CD2-NE 3.34Å; F228-R254 HydrophobicContact CE2-CG 4.42Å; D231-R254 IonicContact OD1-NH2 3.46Å; D231-R254 IonicContact OD2-CZ 2.8Å; D231-R254 IonicContact OD2-NH2 3.49Å; D231-R254 PolarHBondContact OD2-NH2 2.96Å; T233-R254 PolarHBondContact OG1-NE 3.42Å; T233-R254 PolarHBondContact OG1-NH2 3.08Å; W234-R254 WeakPolarHBondContact O-CA 3.25Å; A235-R254 HydrophobicContact CB-CB 4.02Å
255	S	88.8	Confident	86.9	Confident	51 Å²	51	51.1 Å²	51.1	36%	0.357	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	167.8	177.1	-169.6	0	0	0	0	111.1	T233 W234 R253 Y257	T233-S255 VanDerWaalsContact CA-O 3.32Å; T233-S255 WeakPolarHBondContact CA-O 3.19Å; T233-S255 WeakPolarHBondContact CB-O 3.46Å; W234-S255 PolarHBondContact N-O 3.25Å; W234-S255 VanDerWaalsContact N-O 3.09Å; W234-S255 PolarHBondContact O-N 3.49Å; W234-S255 VanDerWaalsContact O-N 3.14Å; R253-S255 PolarHBondContact O-N 3.23Å; R253-S255 VanDerWaalsContact O-N 3.08Å; S255-Y257 WeakPolarHBondContact O-CD2 3.46Å
256	L	89.7	Confident	88.1	Confident	57 Å²	57	50.5 Å²	50.5	30%	0.298	29%	0.289	S	S	.	.			trans	-78.1	118.8	162.3	-166.6	68.9	0	0	0	108.3	T233 V268	T233-L256 HydrophobicContact CG2-CB 4.45Å; L256-V268 HydrophobicContact CD1-CG1 3.45Å; L256-V268 VanDerWaalsContact CD1-CG1 3.45Å; L256-V268 HydrophobicContact CD2-CG1 4.5Å; L256-V268 HydrophobicContact CD2-CG2 4.13Å; L256-V268 HydrophobicContact CG-CG1 3.97Å; L256-V268 HydrophobicContact CG-CG2 4.3Å
257	Y	93.2	Very high	89.3	Confident	24 Å²	24	53.8 Å²	53.8	9%	0.094	30%	0.303	C	S	.	.			trans	-110	141.9	-180	-70.9	-84	0	0	0	111.2	W234 L252 R253 S255 Y269 V283	W234-Y257 AromaticContact CD2-CD2 3.83Å; W234-Y257 HydrophobicContact CD2-CD2 3.83Å; W234-Y257 HydrophobicContact CD2-CE2 4.33Å; W234-Y257 AromaticContact CE2-CD2 3.36Å; W234-Y257 AromaticContact CE2-CG 3.81Å; W234-Y257 HydrophobicContact CE3-CD2 4.36Å; W234-Y257 HydrophobicContact CE3-CE2 4.47Å; W234-Y257 HydrophobicContact CG-CD2 4.33Å; W234-Y257 HydrophobicContact CH2-CD2 4.1Å; W234-Y257 HydrophobicContact CH2-CE2 4.46Å; W234-Y257 HydrophobicContact CH2-CG 4.29Å; W234-Y257 HydrophobicContact CZ2-CD1 4.41Å; W234-Y257 AromaticContact CZ2-CD2 3.53Å; W234-Y257 HydrophobicContact CZ2-CD2 3.53Å; W234-Y257 HydrophobicContact CZ2-CE2 4.31Å; W234-Y257 AromaticContact CZ2-CG 3.59Å; W234-Y257 HydrophobicContact CZ2-CG 3.59Å; W234-Y257 HydrophobicContact CZ3-CD2 4.49Å; W234-Y257 AromaticContact NE1-CD2 3.62Å; W234-Y257 WeakPolarHBondContact O-CE2 3.38Å; L252-Y257 WeakPolarHBondContact CB-OH 3.37Å; R253-Y257 WeakPolarHBondContact O-CE2 3.37Å; R253-Y257 PolarHBondContact O-OH 2.8Å; S255-Y257 WeakPolarHBondContact O-CD2 3.46Å; Y257-Y269 PolarHBondContact O-N 3.14Å; Y257-V283 HydrophobicContact CD1-CB 4.38Å; Y257-V283 HydrophobicContact CD1-CG1 4.33Å
258	H	92.9	Very high	90.1	Very high	80 Å²	80	50 Å²	50	37%	0.37	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	-109	145.1	178.1	-56.6	-99.2	0	0	0	109.8	V260 G266 Q267 V268	H258-V260 PolarHBondContact O-N 3.5Å; H258-G266 PolarHBondContact ND1-O 3.43Å; H258-Q267 CarbonylContact C-O 3.52Å; H258-Q267 WeakPolarHBondContact CA-O 3.43Å; H258-V268 VanDerWaalsContact CE1-CG2 3.47Å; H258-V268 WeakPolarHBondContact CE1-CG2 3.4Å
259	C	95	Very high	90.7	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.02	29%	0.288	C	S	.	.			trans	-63.6	129.9	166	-174.1	0	0	0	0	108.4	W261 R264 N265 G266 Q267 Y269 F282	C259-W261 PolarHBondContact SG-O 3.46Å; C259-R264 HydrophobicContact CB-CB 4.17Å; C259-R264 WeakPolarHBondContact CB-O 2.87Å; C259-N265 CarbonylContact O-C 3.49Å; C259-N265 WeakPolarHBondContact O-CA 3.3Å; C259-N265 PolarHBondContact O-OD1 2.92Å; C259-G266 PolarHBondContact O-N 3.23Å; C259-Q267 PolarHBondContact N-O 3.37Å; C259-Y269 HydrophobicContact CB-CE1 4.22Å; C259-Y269 HydrophobicContact CB-CE2 3.98Å; C259-Y269 WeakPolarHBondContact CB-OH 3.47Å; C259-Y269 PolarHBondContact SG-OH 3.24Å; C259-F282 WeakPolarHBondContact CA-O 3.36Å
260	V	95.1	Very high	91.1	Very high	24 Å²	24	46 Å²	46	15%	0.145	27%	0.268	C	S	.	.			trans	-105.3	11.6	179.8	-58.8	0	0	0	0	113.2	H258 N265 F282 R284 V305	H258-V260 PolarHBondContact O-N 3.5Å; V260-N265 WeakPolarHBondContact CA-OD1 3.44Å; V260-F282 HydrophobicContact CG2-CB 4.21Å; V260-F282 PolarHBondContact N-O 3.45Å; V260-F282 VanDerWaalsContact N-O 3.11Å; V260-R284 HydrophobicContact CG1-CB 4.1Å; V260-V305 HydrophobicContact CG2-CB 4.39Å; V260-V305 HydrophobicContact CG2-CG1 3.75Å; V260-V305 HydrophobicContact CG2-CG2 3.82Å
261	W	94.3	Very high	91.4	Very high	35 Å²	35	43.5 Å²	43.5	13%	0.133	25%	0.252	C	S	.	.	S	Bend	trans	-141.4	154	-172.5	-164.1	-108.3	0	0	0	113.8	C259 N265 F282 E451 S454 G455 Y456 N457	C259-W261 PolarHBondContact SG-O 3.46Å; W261-N265 PolarHBondContact O-N 3.44Å; W261-F282 HydrophobicContact CB-CB 3.74Å; W261-F282 HydrophobicContact CB-CD1 4.21Å; W261-F282 HydrophobicContact CB-CD2 3.79Å; W261-F282 HydrophobicContact CB-CE2 4.44Å; W261-F282 HydrophobicContact CB-CG 3.65Å; W261-F282 HydrophobicContact CG-CD2 4.43Å; W261-F282 HydrophobicContact CG-CG 4.36Å; W261-E451 PolarHBondContact NE1-O 3.17Å; W261-S454 WeakPolarHBondContact CZ2-OG 3.31Å; W261-G455 VanDerWaalsContact CD2-CA 3.49Å; W261-G455 VanDerWaalsContact CE3-C 3.43Å; W261-G455 VanDerWaalsContact CG-CA 3.48Å; W261-Y456 WeakPolarHBondContact CH2-O 3.45Å; W261-N457 HydrophobicContact CH2-CB 4.47Å; W261-N457 WeakPolarHBondContact CH2-OD1 3.26Å
262	G	90.7	Very high	91.4	Very high	46 Å²	46	43 Å²	43	47%	0.474	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	62.4	-161.1	174.2	0	0	0	0	0	114.5	R264 N265	G262-R264 PolarHBondContact O-N 3.22Å; G262-N265 VanDerWaalsContact O-CB 3.3Å; G262-N265 WeakPolarHBondContact O-CB 3.22Å; G262-N265 PolarHBondContact O-N 3.36Å
263	A	88	Confident	91.4	Very high	109 Å²	109	43 Å²	43	90%	0.901	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-62.5	-14.5	-179.2	0	0	0	0	0	114.1
264	R	90.3	Very high	91.7	Very high	22 Å²	22	36.5 Å²	36.5	8%	0.083	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-96.8	3.3	178.9	-64.5	179.3	55	-164	-14.2	113	C259 G262 G266 Q267 D274 R347	C259-R264 HydrophobicContact CB-CB 4.17Å; C259-R264 WeakPolarHBondContact CB-O 2.87Å; G262-R264 PolarHBondContact O-N 3.22Å; R264-G266 PolarHBondContact O-N 2.91Å; R264-Q267 WeakPolarHBondContact O-CB 3.26Å; R264-Q267 WeakPolarHBondContact O-CG 3.28Å; R264-Q267 PolarHBondContact O-N 3.41Å; R264-D274 IonicContact CZ-OD1 3.49Å; R264-D274 IonicContact NH1-OD1 3.49Å; R264-D274 PolarHBondContact NH1-OD1 3.42Å; R264-D274 VanDerWaalsContact NH2-CG 3.28Å; R264-D274 IonicContact NH2-OD1 2.64Å; R264-D274 PolarHBondContact NH2-OD1 2.92Å; R264-D274 IonicContact NH2-OD2 2.81Å; R264-D274 PolarHBondContact NH2-OD2 3.28Å; R264-R347 PolarHBondContact NH1-O 3.01Å; R264-R347 VanDerWaalsContact NH2-CZ 3.29Å
265	N	92.5	Very high	91.9	Very high	108 Å²	108	35.7 Å²	35.7	58%	0.578	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.8	129	179.7	-172.9	14.1	0	0	0	111.4	C259 V260 W261 G262 Q267	C259-N265 CarbonylContact O-C 3.49Å; C259-N265 WeakPolarHBondContact O-CA 3.3Å; C259-N265 PolarHBondContact O-OD1 2.92Å; V260-N265 WeakPolarHBondContact CA-OD1 3.44Å; W261-N265 PolarHBondContact O-N 3.44Å; G262-N265 VanDerWaalsContact O-CB 3.3Å; G262-N265 WeakPolarHBondContact O-CB 3.22Å; G262-N265 PolarHBondContact O-N 3.36Å; N265-Q267 VanDerWaalsContact C-N 3.32Å; N265-Q267 PolarHBondContact O-N 3.25Å
266	G	90.5	Very high	92	Very high	46 Å²	46	34 Å²	34	47%	0.474	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	87	-18.1	-174.7	0	0	0	0	0	115.1	H258 C259 R264	H258-G266 PolarHBondContact ND1-O 3.43Å; C259-G266 PolarHBondContact O-N 3.23Å; R264-G266 PolarHBondContact O-N 2.91Å
267	Q	91.6	Very high	92.1	Very high	86 Å²	86	31.5 Å²	31.5	40%	0.402	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-73	138.6	179.2	-61.8	-175.6	0.3	0	0	111.7	H258 C259 R264 N265	H258-Q267 CarbonylContact C-O 3.52Å; H258-Q267 WeakPolarHBondContact CA-O 3.43Å; C259-Q267 PolarHBondContact N-O 3.37Å; R264-Q267 WeakPolarHBondContact O-CB 3.26Å; R264-Q267 WeakPolarHBondContact O-CG 3.28Å; R264-Q267 PolarHBondContact O-N 3.41Å; N265-Q267 VanDerWaalsContact C-N 3.32Å; N265-Q267 PolarHBondContact O-N 3.25Å
268	V	91.9	Very high	91.9	Very high	37 Å²	37	31.2 Å²	31.2	22%	0.224	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-68.3	141.1	174.7	177.1	0	0	0	0	110.4	L256 H258 L270 R347	L256-V268 HydrophobicContact CD1-CG1 3.45Å; L256-V268 VanDerWaalsContact CD1-CG1 3.45Å; L256-V268 HydrophobicContact CD2-CG1 4.5Å; L256-V268 HydrophobicContact CD2-CG2 4.13Å; L256-V268 HydrophobicContact CG-CG1 3.97Å; L256-V268 HydrophobicContact CG-CG2 4.3Å; H258-V268 VanDerWaalsContact CE1-CG2 3.47Å; H258-V268 WeakPolarHBondContact CE1-CG2 3.4Å; V268-L270 HydrophobicContact CG1-CD2 4.36Å; V268-R347 PolarHBondContact O-NH2 3.32Å
269	Y	93.2	Very high	92	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.008	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-74.5	127.8	168.7	-75.8	-65.8	0	0	0	111.3	Y257 C259 P271 D274 L281 F282 V283	Y257-Y269 PolarHBondContact O-N 3.14Å; C259-Y269 HydrophobicContact CB-CE1 4.22Å; C259-Y269 HydrophobicContact CB-CE2 3.98Å; C259-Y269 WeakPolarHBondContact CB-OH 3.47Å; C259-Y269 PolarHBondContact SG-OH 3.24Å; Y269-P271 WeakPolarHBondContact O-CD 3.49Å; Y269-D274 WeakPolarHBondContact CA-OD2 3.27Å; Y269-D274 HydrophobicContact CD1-CB 4.04Å; Y269-L281 HydrophobicContact CD1-CD2 3.73Å; Y269-L281 HydrophobicContact CE1-CB 4.25Å; Y269-L281 HydrophobicContact CE1-CD2 3.5Å; Y269-L281 HydrophobicContact CE1-CG 4.43Å; Y269-L281 HydrophobicContact CE2-CB 4.23Å; Y269-L281 HydrophobicContact CG-CD2 4.47Å; Y269-L281 WeakPolarHBondContact OH-CA 3.41Å; Y269-F282 PolarHBondContact OH-N 2.84Å; Y269-F282 PolarHBondContact OH-O 2.94Å; Y269-V283 HydrophobicContact CD2-CG1 4.42Å; Y269-V283 HydrophobicContact CE2-CG1 3.93Å
270	L	92.3	Very high	92	Very high	12 Å²	12	28.5 Å²	28.5	6%	0.063	19%	0.189	C	C	.	.			trans	-106	101.3	177.2	-56.3	-177.9	0	0	0	107.7	A62 Y64 V268 E272 I273 D274	A62-L270 HydrophobicContact CB-CD1 4.45Å; A62-L270 HydrophobicContact CB-CD2 3.44Å; A62-L270 VanDerWaalsContact CB-CD2 3.44Å; Y64-L270 HydrophobicContact CD1-CD1 4.15Å; Y64-L270 HydrophobicContact CE1-CD1 4.04Å; V268-L270 HydrophobicContact CG1-CD2 4.36Å; L270-E272 PolarHBondContact O-N 2.86Å; L270-E272 VanDerWaalsContact O-N 3.15Å; L270-I273 HydrophobicContact CB-CB 4.38Å; L270-I273 HydrophobicContact CB-CD1 4.39Å; L270-I273 HydrophobicContact CB-CG1 4.45Å; L270-I273 HydrophobicContact CD1-CD1 3.96Å; L270-I273 CarbonylContact O-C 3.57Å; L270-I273 PolarHBondContact O-N 2.83Å; L270-D274 PolarHBondContact N-OD2 2.78Å; L270-D274 WeakPolarHBondContact O-CB 3.42Å; L270-D274 PolarHBondContact O-N 2.61Å
271	P	92	Very high	92	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-53.4	-39.7	-171.1	-28.2	35.7	0	0	0	113.8	I183 A227 Y269 I273 F275	I183-P271 HydrophobicContact CD1-CB 4.21Å; A227-P271 HydrophobicContact CB-CB 3.49Å; A227-P271 VanDerWaalsContact CB-CB 3.49Å; A227-P271 HydrophobicContact CB-CG 3.59Å; Y269-P271 WeakPolarHBondContact O-CD 3.49Å; P271-I273 PolarHBondContact O-N 2.83Å; P271-F275 HydrophobicContact CB-CD1 4.44Å; P271-F275 HydrophobicContact CB-CG 4.41Å; P271-F275 VanDerWaalsContact O-CB 3.31Å; P271-F275 WeakPolarHBondContact O-CB 3.32Å; P271-F275 PolarHBondContact O-N 3.3Å
272	E	90.4	Very high	92.2	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.019	18%	0.177	C	C	.	.	H	α-helix	trans	-68	-14.2	179.5	67.4	-78	178.9	0	0	113.9	Y64 I183 P229 L270 K318 A321 I322	Y64-E272 VanDerWaalsContact OH-CG 3.32Å; Y64-E272 WeakPolarHBondContact OH-CG 3.18Å; I183-E272 HydrophobicContact CD1-CB 4.01Å; P229-E272 WeakPolarHBondContact CB-OE2 3.33Å; L270-E272 PolarHBondContact O-N 2.86Å; L270-E272 VanDerWaalsContact O-N 3.15Å; E272-K318 WeakPolarHBondContact O-CE 3.43Å; E272-A321 HydrophobicContact CB-CB 3.83Å; E272-I322 HydrophobicContact CB-CG1 3.97Å; E272-I322 HydrophobicContact CG-CG1 4.4Å; E272-I322 VanDerWaalsContact O-CD1 3.26Å; E272-I322 WeakPolarHBondContact O-CD1 3.44Å; E272-I322 VanDerWaalsContact O-CG1 3.28Å; E272-I322 WeakPolarHBondContact O-CG1 3.38Å
273	I	90.3	Very high	92.4	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-112.1	-53.6	174.1	-54.6	174.9	0	0	0	110.9	Y64 L270 P271 F275 F276 K318 L343 R347	Y64-I273 HydrophobicContact CD1-CD1 3.76Å; Y64-I273 HydrophobicContact CE1-CD1 3.22Å; Y64-I273 HydrophobicContact CE1-CG1 4.14Å; L270-I273 HydrophobicContact CB-CB 4.38Å; L270-I273 HydrophobicContact CB-CD1 4.39Å; L270-I273 HydrophobicContact CB-CG1 4.45Å; L270-I273 HydrophobicContact CD1-CD1 3.96Å; L270-I273 CarbonylContact O-C 3.57Å; L270-I273 PolarHBondContact O-N 2.83Å; P271-I273 PolarHBondContact O-N 2.83Å; I273-F275 PolarHBondContact O-N 3.04Å; I273-F276 WeakPolarHBondContact O-CD1 3.46Å; I273-K318 PolarHBondContact O-NZ 2.84Å; I273-L343 HydrophobicContact CD1-CB 4.19Å; I273-L343 HydrophobicContact CD1-CD1 3.86Å; I273-L343 HydrophobicContact CD1-CD2 4.3Å; I273-L343 HydrophobicContact CD1-CG 4.35Å; I273-L343 HydrophobicContact CG2-CB 4.31Å; I273-R347 VanDerWaalsContact CG2-CD 3.45Å
274	D	93	Very high	92.6	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.016	14%	0.135	C	C	.	.	H	α-helix	trans	-72.3	-26.9	-170.7	-76.6	-54.7	0	0	0	114.9	R264 Y269 L270 F276 A279 R347	R264-D274 IonicContact CZ-OD1 3.49Å; R264-D274 IonicContact NH1-OD1 3.49Å; R264-D274 PolarHBondContact NH1-OD1 3.42Å; R264-D274 VanDerWaalsContact NH2-CG 3.28Å; R264-D274 IonicContact NH2-OD1 2.64Å; R264-D274 PolarHBondContact NH2-OD1 2.92Å; R264-D274 IonicContact NH2-OD2 2.81Å; R264-D274 PolarHBondContact NH2-OD2 3.28Å; Y269-D274 WeakPolarHBondContact CA-OD2 3.27Å; Y269-D274 HydrophobicContact CD1-CB 4.04Å; L270-D274 PolarHBondContact N-OD2 2.78Å; L270-D274 WeakPolarHBondContact O-CB 3.42Å; L270-D274 PolarHBondContact O-N 2.61Å; D274-F276 WeakPolarHBondContact O-CD1 3.25Å; D274-F276 WeakPolarHBondContact O-CE1 3.43Å; D274-F276 PolarHBondContact O-N 3.08Å; D274-A279 WeakPolarHBondContact O-CB 3.49Å; D274-R347 IonicContact OD1-CZ 3.08Å; D274-R347 IonicContact OD1-NE 3.06Å; D274-R347 PolarHBondContact OD1-NE 3.38Å; D274-R347 IonicContact OD1-NH2 3.75Å; D274-R347 PolarHBondContact OD1-NH2 2.9Å; D274-R347 IonicContact OD2-CZ 2.91Å; D274-R347 IonicContact OD2-NE 3.16Å; D274-R347 PolarHBondContact OD2-NE 2.92Å; D274-R347 IonicContact OD2-NH2 3.13Å; D274-R347 PolarHBondContact OD2-NH2 3.47Å
275	F	93.6	Very high	92.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.133	C	C	.	.			trans	-95.1	105.2	-170.1	-67.7	-153.2	0	0	0	106.8	F185 A227 W234 P271 I273 L281 I310 V313 K318	F185-F275 HydrophobicContact CB-CD1 4.43Å; F185-F275 AromaticContact CD1-CD1 3.64Å; F185-F275 HydrophobicContact CD1-CD1 3.64Å; F185-F275 AromaticContact CD1-CE1 3.8Å; F185-F275 HydrophobicContact CD1-CE1 3.8Å; F185-F275 HydrophobicContact CD2-CD1 4.12Å; F185-F275 HydrophobicContact CD2-CE1 4.29Å; F185-F275 AromaticContact CE1-CD1 3.77Å; F185-F275 HydrophobicContact CE1-CD1 3.77Å; F185-F275 AromaticContact CE1-CE1 3.39Å; F185-F275 HydrophobicContact CE1-CE1 3.39Å; F185-F275 HydrophobicContact CE2-CD1 4.21Å; F185-F275 AromaticContact CE2-CE1 3.91Å; F185-F275 HydrophobicContact CE2-CE1 3.91Å; F185-F275 AromaticContact CG-CD1 3.81Å; F185-F275 HydrophobicContact CG-CD1 3.81Å; F185-F275 HydrophobicContact CG-CE1 4.22Å; F185-F275 HydrophobicContact CZ-CD1 4.03Å; F185-F275 AromaticContact CZ-CE1 3.43Å; F185-F275 HydrophobicContact CZ-CE1 3.43Å; F185-F275 VanDerWaalsContact CZ-CE1 3.43Å; F185-F275 HydrophobicContact CZ-CZ 4.44Å; A227-F275 HydrophobicContact CB-CE1 4.43Å; W234-F275 AromaticContact CD1-CZ 3.87Å; W234-F275 HydrophobicContact CD2-CE1 4.28Å; W234-F275 AromaticContact CD2-CZ 3.87Å; W234-F275 HydrophobicContact CD2-CZ 3.87Å; W234-F275 AromaticContact CE2-CZ 3.84Å; W234-F275 HydrophobicContact CG-CE1 4.23Å; W234-F275 AromaticContact CG-CZ 3.89Å; W234-F275 HydrophobicContact CG-CZ 3.89Å; W234-F275 HydrophobicContact CZ2-CZ 4.45Å; W234-F275 AromaticContact NE1-CZ 3.82Å; P271-F275 HydrophobicContact CB-CD1 4.44Å; P271-F275 HydrophobicContact CB-CG 4.41Å; P271-F275 VanDerWaalsContact O-CB 3.31Å; P271-F275 WeakPolarHBondContact O-CB 3.32Å; P271-F275 PolarHBondContact O-N 3.3Å; I273-F275 PolarHBondContact O-N 3.04Å; F275-L281 HydrophobicContact CD2-CD1 4.18Å; F275-L281 HydrophobicContact CD2-CD2 4.23Å; F275-L281 HydrophobicContact CE1-CD1 4.24Å; F275-L281 HydrophobicContact CE2-CD1 3.5Å; F275-L281 HydrophobicContact CE2-CD2 4Å; F275-L281 HydrophobicContact CE2-CG 4.43Å; F275-L281 HydrophobicContact CZ-CD1 3.54Å; F275-I310 HydrophobicContact CD1-CD1 4.19Å; F275-I310 HydrophobicContact CG-CD1 4.4Å; F275-V313 HydrophobicContact CB-CG2 4.15Å; F275-K318 WeakPolarHBondContact O-CD 3.45Å; F275-K318 VanDerWaalsContact O-CE 3.3Å; F275-K318 WeakPolarHBondContact O-CE 3.48Å; F275-K318 PolarHBondContact O-NZ 2.95Å
276	F	91.5	Very high	92	Very high	16 Å²	16	22 Å²	22	7%	0.07	13%	0.126	C	C	.	.	S	Bend	trans	-146.8	152	170.8	50.3	-90.2	0	0	0	108.7	I273 D274 G278 A279 I310 P578	I273-F276 WeakPolarHBondContact O-CD1 3.46Å; D274-F276 WeakPolarHBondContact O-CD1 3.25Å; D274-F276 WeakPolarHBondContact O-CE1 3.43Å; D274-F276 PolarHBondContact O-N 3.08Å; F276-G278 PolarHBondContact O-N 3.26Å; F276-A279 HydrophobicContact CD1-CB 4.18Å; F276-A279 HydrophobicContact CD2-CB 3.91Å; F276-A279 HydrophobicContact CE1-CB 4.02Å; F276-A279 HydrophobicContact CE2-CB 3.7Å; F276-A279 HydrophobicContact CG-CB 4.14Å; F276-A279 HydrophobicContact CZ-CB 3.77Å; F276-A279 WeakPolarHBondContact O-CB 3.27Å; F276-A279 PolarHBondContact O-N 2.83Å; F276-I310 WeakPolarHBondContact O-CB 3.43Å; F276-I310 WeakPolarHBondContact O-CG2 3.31Å; F276-P578 HydrophobicContact CD2-CB 4.36Å; F276-P578 WeakPolarHBondContact CD2-O 3.46Å; F276-P578 HydrophobicContact CE2-CB 3.83Å
277	P	91.4	Very high	90.7	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.019	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	127.4	175	-23	30.4	0	0	0	111.5	I310 Q584 F587 L588	P277-I310 CarbonylContact C-O 3.47Å; P277-I310 WeakPolarHBondContact CA-O 3.5Å; P277-Q584 HydrophobicContact CB-CB 4.4Å; P277-Q584 HydrophobicContact CB-CG 4.15Å; P277-Q584 HydrophobicContact CG-CB 4.2Å; P277-Q584 HydrophobicContact CG-CG 4.03Å; P277-F587 HydrophobicContact CB-CD1 3.53Å; P277-F587 HydrophobicContact CB-CE1 3.78Å; P277-F587 HydrophobicContact CB-CG 4.34Å; P277-L588 HydrophobicContact CB-CG 4.43Å; P277-L588 HydrophobicContact CG-CD1 4.1Å; P277-L588 HydrophobicContact CG-CD2 4.46Å; P277-L588 HydrophobicContact CG-CG 4.29Å
278	G	90.5	Very high	89.2	Confident	19 Å²	19	26.6 Å²	26.6	20%	0.196	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.5	-10.3	-175.7	0	0	0	0	0	115.2	F276 L309 I310	F276-G278 PolarHBondContact O-N 3.26Å; G278-L309 WeakPolarHBondContact O-CD1 3.25Å; G278-I310 PolarHBondContact N-O 3.35Å
279	A	92.9	Very high	88	Confident	10 Å²	10	27 Å²	27	8%	0.083	14%	0.142	C	C	.	.			trans	-71.9	134.8	176	0	0	0	0	0	111.7	D274 F276 L309 I310	D274-A279 WeakPolarHBondContact O-CB 3.49Å; F276-A279 HydrophobicContact CD1-CB 4.18Å; F276-A279 HydrophobicContact CD2-CB 3.91Å; F276-A279 HydrophobicContact CE1-CB 4.02Å; F276-A279 HydrophobicContact CE2-CB 3.7Å; F276-A279 HydrophobicContact CG-CB 4.14Å; F276-A279 HydrophobicContact CZ-CB 3.77Å; F276-A279 WeakPolarHBondContact O-CB 3.27Å; F276-A279 PolarHBondContact O-N 2.83Å; A279-L309 WeakPolarHBondContact O-CA 3.48Å; A279-I310 HydrophobicContact CB-CB 4.31Å; A279-I310 HydrophobicContact CB-CG1 4.2Å; A279-I310 PolarHBondContact O-N 3.12Å
280	I	95.3	Very high	87.1	Confident	16 Å²	16	33.5 Å²	33.5	8%	0.082	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	123.8	174.6	-55.4	169.6	0	0	0	109.3	L190 F282 R307 I308 L309 L349	L190-I280 HydrophobicContact CD1-CD1 3.87Å; L190-I280 HydrophobicContact CD1-CG1 4.05Å; L190-I280 HydrophobicContact CD1-CG2 4.06Å; I280-F282 HydrophobicContact CB-CZ 4.43Å; I280-F282 HydrophobicContact CG2-CD1 4.38Å; I280-F282 HydrophobicContact CG2-CE1 3.82Å; I280-F282 HydrophobicContact CG2-CE2 4.28Å; I280-F282 HydrophobicContact CG2-CZ 3.77Å; I280-R307 HydrophobicContact CG2-CB 4.42Å; I280-I308 CarbonylContact C-O 3.3Å; I280-I308 WeakPolarHBondContact CA-O 3.19Å; I280-L309 HydrophobicContact CG1-CD1 3.61Å; I280-L349 HydrophobicContact CB-CD1 4.23Å; I280-L349 HydrophobicContact CD1-CD1 4.19Å
281	L	96.8	Very high	86.6	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	132.1	172.4	-42.9	-178.9	0	0	0	109.6	W234 Y269 F275 R307 I308 I310	W234-L281 HydrophobicContact CH2-CD1 4.37Å; W234-L281 HydrophobicContact CZ2-CD1 4.26Å; Y269-L281 HydrophobicContact CD1-CD2 3.73Å; Y269-L281 HydrophobicContact CE1-CB 4.25Å; Y269-L281 HydrophobicContact CE1-CD2 3.5Å; Y269-L281 HydrophobicContact CE1-CG 4.43Å; Y269-L281 HydrophobicContact CE2-CB 4.23Å; Y269-L281 HydrophobicContact CG-CD2 4.47Å; Y269-L281 WeakPolarHBondContact OH-CA 3.41Å; F275-L281 HydrophobicContact CD2-CD1 4.18Å; F275-L281 HydrophobicContact CD2-CD2 4.23Å; F275-L281 HydrophobicContact CE1-CD1 4.24Å; F275-L281 HydrophobicContact CE2-CD1 3.5Å; F275-L281 HydrophobicContact CE2-CD2 4Å; F275-L281 HydrophobicContact CE2-CG 4.43Å; F275-L281 HydrophobicContact CZ-CD1 3.54Å; L281-R307 WeakPolarHBondContact O-CA 3.48Å; L281-I308 HydrophobicContact CB-CB 4.26Å; L281-I308 PolarHBondContact N-O 2.51Å; L281-I308 PolarHBondContact O-N 3.33Å; L281-I310 HydrophobicContact CD1-CD1 3.89Å; L281-I310 HydrophobicContact CD1-CG1 4.33Å; L281-I310 HydrophobicContact CG-CD1 4.31Å; L281-I310 HydrophobicContact CG-CG1 4.27Å
282	F	96.7	Very high	86.1	Confident	1 Å²	1	36.5 Å²	36.5	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	106	174.2	-56.7	-74.3	0	0	0	108.3	C259 V260 W261 Y269 I280 V305 R307 L349	C259-F282 WeakPolarHBondContact CA-O 3.36Å; V260-F282 HydrophobicContact CG2-CB 4.21Å; V260-F282 PolarHBondContact N-O 3.45Å; V260-F282 VanDerWaalsContact N-O 3.11Å; W261-F282 HydrophobicContact CB-CB 3.74Å; W261-F282 HydrophobicContact CB-CD1 4.21Å; W261-F282 HydrophobicContact CB-CD2 3.79Å; W261-F282 HydrophobicContact CB-CE2 4.44Å; W261-F282 HydrophobicContact CB-CG 3.65Å; W261-F282 HydrophobicContact CG-CD2 4.43Å; W261-F282 HydrophobicContact CG-CG 4.36Å; Y269-F282 PolarHBondContact OH-N 2.84Å; Y269-F282 PolarHBondContact OH-O 2.94Å; I280-F282 HydrophobicContact CB-CZ 4.43Å; I280-F282 HydrophobicContact CG2-CD1 4.38Å; I280-F282 HydrophobicContact CG2-CE1 3.82Å; I280-F282 HydrophobicContact CG2-CE2 4.28Å; I280-F282 HydrophobicContact CG2-CZ 3.77Å; F282-V305 HydrophobicContact CB-CG1 4.26Å; F282-R307 HydrophobicContact CD1-CG 3.79Å; F282-R307 HydrophobicContact CE1-CG 3.77Å; F282-L349 HydrophobicContact CE2-CD1 4.18Å; F282-L349 HydrophobicContact CE2-CD2 3.68Å; F282-L349 HydrophobicContact CZ-CD1 4.27Å
283	V	95.3	Very high	85.6	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	144.8	-179.1	-60.9	0	0	0	0	110.6	W234 L252 Y257 Y269 L306 I308	W234-V283 HydrophobicContact CH2-CG1 4.04Å; W234-V283 HydrophobicContact CZ2-CG1 3.85Å; L252-V283 HydrophobicContact CD1-CG2 4.12Å; Y257-V283 HydrophobicContact CD1-CB 4.38Å; Y257-V283 HydrophobicContact CD1-CG1 4.33Å; Y269-V283 HydrophobicContact CD2-CG1 4.42Å; Y269-V283 HydrophobicContact CE2-CG1 3.93Å; V283-L306 HydrophobicContact CG2-CB 3.96Å; V283-L306 HydrophobicContact CG2-CD2 4.23Å; V283-L306 PolarHBondContact N-O 3.02Å; V283-L306 PolarHBondContact O-N 3.22Å; V283-I308 HydrophobicContact CG2-CD1 3.58Å; V283-I308 HydrophobicContact CG2-CG1 4.39Å
284	R	92.6	Very high	85.2	Confident	132 Å²	132	42.7 Å²	42.7	50%	0.498	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	126.8	171.2	-172.9	170.4	-60.3	-70.3	-6.5	109.6	V260 G303 N304	V260-R284 HydrophobicContact CG1-CB 4.1Å; R284-G303 PolarHBondContact NH1-O 3.14Å; R284-N304 CarbonylContact C-O 3.53Å; R284-N304 WeakPolarHBondContact CA-O 3.35Å; R284-N304 HydrophobicContact CG-CB 4.35Å
285	Y	90.6	Very high	85.1	Confident	11 Å²	11	42.6 Å²	42.6	4%	0.043	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-85.4	122.4	172	-162.1	-94	0	0	0	109.3	F251 L252 H289 P291 L299 N304 L306	F251-Y285 AromaticContact CE1-CE2 3.95Å; F251-Y285 HydrophobicContact CE1-CE2 3.95Å; F251-Y285 HydrophobicContact CE2-CE2 4.35Å; F251-Y285 AromaticContact CZ-CE2 3.84Å; F251-Y285 HydrophobicContact CZ-CE2 3.84Å; L252-Y285 HydrophobicContact CD2-CD2 3.89Å; L252-Y285 HydrophobicContact CD2-CE2 3.97Å; Y285-H289 HydrophobicContact CD1-CB 4.45Å; Y285-H289 HydrophobicContact CE1-CB 3.53Å; Y285-H289 WeakPolarHBondContact OH-CB 3.4Å; Y285-P291 HydrophobicContact CD1-CB 4.43Å; Y285-P291 HydrophobicContact CD1-CG 4.48Å; Y285-P291 HydrophobicContact CE1-CB 3.75Å; Y285-P291 HydrophobicContact CE1-CG 4.1Å; Y285-L299 HydrophobicContact CD1-CD1 3.45Å; Y285-L299 VanDerWaalsContact CD1-CD1 3.45Å; Y285-L299 HydrophobicContact CE1-CD1 3.99Å; Y285-L299 HydrophobicContact CG-CD1 3.92Å; Y285-L299 HydrophobicContact CG-CD2 4.25Å; Y285-N304 PolarHBondContact N-O 3.31Å; Y285-L306 HydrophobicContact CD2-CD2 4.18Å
286	S	79.6	Confident	84.8	Confident	60 Å²	60	46.5 Å²	46.5	42%	0.42	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-79.2	140.7	-176.2	-52.5	0	0	0	0	112.4	N288 H289	S286-N288 PolarHBondContact O-N 2.9Å; S286-H289 WeakPolarHBondContact O-CB 3.48Å; S286-H289 PolarHBondContact O-CD2 3.45Å; S286-H289 VanDerWaalsContact O-CD2 3.28Å; S286-H289 PolarHBondContact O-N 3.37Å; S286-H289 VanDerWaalsContact O-N 3.16Å
287	D	62.7	Low	84.5	Confident	106 Å²	106	47.6 Å²	47.6	57%	0.567	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-62.4	-27.9	-179.5	-61.4	-43.9	0	0	0	112.9	H289 N290 N304	D287-H289 PolarHBondContact O-N 3.3Å; D287-N290 PolarHBondContact O-N 3.38Å; D287-N304 PolarHBondContact OD1-ND2 3.15Å
288	N	61	Low	84.4	Confident	124 Å²	124	47.6 Å²	47.6	66%	0.663	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-60.2	-12	176.9	-65.8	0.3	0	0	0	114	S286 N290	S286-N288 PolarHBondContact O-N 2.9Å; N288-N290 VanDerWaalsContact C-N 3.34Å
289	H	66.8	Low	84.5	Confident	46 Å²	46	46.8 Å²	46.8	21%	0.213	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-80.5	-10.3	176.7	-68.4	-63.1	0	0	0	113.8	Y285 S286 D287	Y285-H289 HydrophobicContact CD1-CB 4.45Å; Y285-H289 HydrophobicContact CE1-CB 3.53Å; Y285-H289 WeakPolarHBondContact OH-CB 3.4Å; S286-H289 WeakPolarHBondContact O-CB 3.48Å; S286-H289 PolarHBondContact O-CD2 3.45Å; S286-H289 VanDerWaalsContact O-CD2 3.28Å; S286-H289 PolarHBondContact O-N 3.37Å; S286-H289 VanDerWaalsContact O-N 3.16Å; D287-H289 PolarHBondContact O-N 3.3Å
290	N	74.2	Confident	84.3	Confident	137 Å²	137	52.8 Å²	52.8	73%	0.733	27%	0.271	S	S	*	.			trans	42.5	72	-172.1	-88	-10.7	0	0	0	111.4	D287 N288	D287-N290 PolarHBondContact O-N 3.38Å; N288-N290 VanDerWaalsContact C-N 3.34Å
291	P	80.5	Confident	83.9	Confident	16 Å²	16	54 Å²	54	10%	0.104	28%	0.276	C	S	.	.			trans	-57	145.1	-173.4	16.9	-25.7	0	0	0	111.3	Y285 L295 K296 L299	Y285-P291 HydrophobicContact CD1-CB 4.43Å; Y285-P291 HydrophobicContact CD1-CG 4.48Å; Y285-P291 HydrophobicContact CE1-CB 3.75Å; Y285-P291 HydrophobicContact CE1-CG 4.1Å; P291-L295 HydrophobicContact CB-CB 4.36Å; P291-L295 HydrophobicContact CB-CD2 4.23Å; P291-L295 HydrophobicContact CB-CG 4.41Å; P291-K296 HydrophobicContact CB-CG 4.37Å; P291-K296 HydrophobicContact CG-CG 3.96Å; P291-K296 WeakPolarHBondContact O-CE 3.42Å; P291-K296 WeakPolarHBondContact O-CG 2.92Å; P291-L299 HydrophobicContact CB-CD1 3.71Å; P291-L299 HydrophobicContact CG-CD1 3.78Å
292	P	82.1	Confident	83.7	Confident	60 Å²	60	54 Å²	54	39%	0.39	28%	0.276	S	S	.	.			trans	-55.1	146.7	174	-25.8	35.5	0	0	0	111.3	F218 P294 L295 K296	F218-P292 HydrophobicContact CZ-CB 3.99Å; F218-P292 HydrophobicContact CZ-CG 3.97Å; P292-P294 VanDerWaalsContact C-N 3.32Å; P292-P294 VanDerWaalsContact O-N 3.11Å; P292-L295 WeakPolarHBondContact O-CA 3.19Å; P292-L295 WeakPolarHBondContact O-CB 3.37Å; P292-L295 PolarHBondContact O-N 2.67Å; P292-K296 PolarHBondContact O-N 2.81Å
293	N	81.1	Confident	83.3	Confident	102 Å²	102	55.9 Å²	55.9	55%	0.545	30%	0.296	S	S	.	.	H	α-helix	trans	-47.8	-43.8	-172.9	-73	-14.7	0	0	0	115	L295 K296	N293-L295 PolarHBondContact O-N 3.05Å; N293-K296 WeakPolarHBondContact O-CB 3.49Å; N293-K296 PolarHBondContact O-N 3.37Å; N293-K296 WeakPolarHBondContact OD1-CE 3.32Å; N293-K296 PolarHBondContact OD1-NZ 2.91Å
294	P	81.7	Confident	83.2	Confident	33 Å²	33	57.7 Å²	57.7	21%	0.214	31%	0.305	C	S	.	.	H	α-helix	trans	-65.2	-28.2	-179.6	-20.4	34	0	0	0	113	N213 I215 F218 P292	N213-P294 HydrophobicContact CB-CG 4.19Å; N213-P294 WeakPolarHBondContact O-CG 3.43Å; I215-P294 WeakPolarHBondContact CD1-O 3.01Å; F218-P294 HydrophobicContact CE2-CB 4.2Å; P292-P294 VanDerWaalsContact C-N 3.32Å; P292-P294 VanDerWaalsContact O-N 3.11Å
295	L	89.4	Confident	83.2	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-81.8	-23.9	179.1	-169.7	62.8	0	0	0	112.4	I215 F218 F251 P291 P292 N293 Q297 F298 L299	I215-L295 HydrophobicContact CD1-CD1 4.08Å; F218-L295 HydrophobicContact CE1-CB 4.43Å; F218-L295 HydrophobicContact CE1-CD2 4.05Å; F218-L295 HydrophobicContact CE2-CB 4.01Å; F218-L295 HydrophobicContact CZ-CB 3.88Å; F218-L295 HydrophobicContact CZ-CD2 4.26Å; F251-L295 HydrophobicContact CE2-CD2 4.23Å; F251-L295 HydrophobicContact CZ-CD2 4.01Å; P291-L295 HydrophobicContact CB-CB 4.36Å; P291-L295 HydrophobicContact CB-CD2 4.23Å; P291-L295 HydrophobicContact CB-CG 4.41Å; P292-L295 WeakPolarHBondContact O-CA 3.19Å; P292-L295 WeakPolarHBondContact O-CB 3.37Å; P292-L295 PolarHBondContact O-N 2.67Å; N293-L295 PolarHBondContact O-N 3.05Å; L295-Q297 PolarHBondContact O-N 3.44Å; L295-F298 HydrophobicContact CD1-CB 4.49Å; L295-F298 HydrophobicContact CD1-CD1 3.8Å; L295-F298 HydrophobicContact CD1-CG 4.43Å; L295-F298 PolarHBondContact O-N 3.47Å; L295-L299 HydrophobicContact CD1-CG 4.36Å; L295-L299 HydrophobicContact CD2-CD1 4.11Å; L295-L299 HydrophobicContact CG-CD1 3.79Å; L295-L299 HydrophobicContact CG-CG 3.98Å; L295-L299 WeakPolarHBondContact O-CB 3.26Å; L295-L299 WeakPolarHBondContact O-CG 3.33Å; L295-L299 PolarHBondContact O-N 3.33Å
296	K	88.2	Confident	83.4	Confident	83 Å²	83	51.2 Å²	51.2	36%	0.361	28%	0.282	S	S	.	.	H	α-helix	trans	-57.6	-49.4	-179.4	-73.5	179.5	-178.2	171.2	0	112.5	P291 P292 N293 L299 H300	P291-K296 HydrophobicContact CB-CG 4.37Å; P291-K296 HydrophobicContact CG-CG 3.96Å; P291-K296 WeakPolarHBondContact O-CE 3.42Å; P291-K296 WeakPolarHBondContact O-CG 2.92Å; P292-K296 PolarHBondContact O-N 2.81Å; N293-K296 WeakPolarHBondContact O-CB 3.49Å; N293-K296 PolarHBondContact O-N 3.37Å; N293-K296 WeakPolarHBondContact OD1-CE 3.32Å; N293-K296 PolarHBondContact OD1-NZ 2.91Å; K296-L299 PolarHBondContact O-N 3.35Å; K296-H300 WeakPolarHBondContact O-CB 3.43Å; K296-H300 PolarHBondContact O-N 3.23Å
297	Q	85	Confident	84.2	Confident	39 Å²	39	48.7 Å²	48.7	18%	0.182	26%	0.263	C	S	.	.	H	α-helix	trans	-66.2	-41	-177.5	-169.6	-174.7	-2.2	0	0	111.6	T194 S198 L295 H300 H301	T194-Q297 VanDerWaalsContact OG1-CG 3.28Å; T194-Q297 WeakPolarHBondContact OG1-CG 3.32Å; T194-Q297 PolarHBondContact OG1-NE2 2.68Å; S198-Q297 PolarHBondContact OG-NE2 2.89Å; L295-Q297 PolarHBondContact O-N 3.44Å; Q297-H300 PolarHBondContact O-N 3.34Å; Q297-H301 WeakPolarHBondContact O-CB 3.42Å; Q297-H301 PolarHBondContact O-N 3.22Å
298	F	90.5	Very high	85.8	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.009	24%	0.236	C	C	.	.	H	α-helix	trans	-58.1	-50.7	172.6	171.8	-91.6	0	0	0	111.3	V191 F192 I215 L295 H300 H301 T302 L306	V191-F298 HydrophobicContact CB-CE2 4.34Å; V191-F298 HydrophobicContact CG1-CE1 4.42Å; V191-F298 HydrophobicContact CG1-CE2 4.44Å; V191-F298 HydrophobicContact CG1-CZ 4.32Å; F192-F298 HydrophobicContact CD1-CD2 4.38Å; F192-F298 AromaticContact CD1-CE2 3.69Å; F192-F298 HydrophobicContact CD1-CE2 3.69Å; F192-F298 HydrophobicContact CD2-CD2 4.47Å; F192-F298 HydrophobicContact CE1-CD2 4.27Å; F192-F298 AromaticContact CE1-CE2 3.51Å; F192-F298 HydrophobicContact CE1-CE2 3.51Å; F192-F298 HydrophobicContact CE1-CZ 4.37Å; F192-F298 HydrophobicContact CE2-CD2 4.39Å; F192-F298 HydrophobicContact CE2-CE2 4.41Å; F192-F298 HydrophobicContact CG-CD2 4.48Å; F192-F298 HydrophobicContact CG-CE2 4.21Å; F192-F298 HydrophobicContact CZ-CD2 4.28Å; F192-F298 AromaticContact CZ-CE2 3.91Å; F192-F298 HydrophobicContact CZ-CE2 3.91Å; I215-F298 HydrophobicContact CD1-CB 3.92Å; I215-F298 HydrophobicContact CD1-CG 4.31Å; I215-F298 HydrophobicContact CG1-CB 4.35Å; L295-F298 HydrophobicContact CD1-CB 4.49Å; L295-F298 HydrophobicContact CD1-CD1 3.8Å; L295-F298 HydrophobicContact CD1-CG 4.43Å; L295-F298 PolarHBondContact O-N 3.47Å; F298-H300 PolarHBondContact O-N 3Å; F298-H301 WeakPolarHBondContact O-CB 3.29Å; F298-H301 PolarHBondContact O-N 3.03Å; F298-T302 HydrophobicContact CD2-CG2 4.4Å; F298-T302 HydrophobicContact CE1-CG2 4.13Å; F298-T302 HydrophobicContact CE2-CG2 3.98Å; F298-T302 HydrophobicContact CZ-CG2 3.83Å; F298-T302 WeakPolarHBondContact O-CG2 3.44Å; F298-T302 PolarHBondContact O-N 2.85Å; F298-T302 PolarHBondContact O-OG1 3.06Å; F298-L306 HydrophobicContact CE1-CD1 4.41Å
299	L	91.5	Very high	87.5	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-64.8	-39.5	-179.9	-71.6	172.7	0	0	0	112.3	Y285 P291 L295 K296 H301 T302 G303 N304	Y285-L299 HydrophobicContact CD1-CD1 3.45Å; Y285-L299 VanDerWaalsContact CD1-CD1 3.45Å; Y285-L299 HydrophobicContact CE1-CD1 3.99Å; Y285-L299 HydrophobicContact CG-CD1 3.92Å; Y285-L299 HydrophobicContact CG-CD2 4.25Å; P291-L299 HydrophobicContact CB-CD1 3.71Å; P291-L299 HydrophobicContact CG-CD1 3.78Å; L295-L299 HydrophobicContact CD1-CG 4.36Å; L295-L299 HydrophobicContact CD2-CD1 4.11Å; L295-L299 HydrophobicContact CG-CD1 3.79Å; L295-L299 HydrophobicContact CG-CG 3.98Å; L295-L299 WeakPolarHBondContact O-CB 3.26Å; L295-L299 WeakPolarHBondContact O-CG 3.33Å; L295-L299 PolarHBondContact O-N 3.33Å; K296-L299 PolarHBondContact O-N 3.35Å; L299-H301 VanDerWaalsContact C-N 3.3Å; L299-H301 PolarHBondContact O-N 3.32Å; L299-T302 PolarHBondContact O-N 2.9Å; L299-T302 PolarHBondContact O-OG1 3.42Å; L299-G303 PolarHBondContact O-N 3.4Å; L299-G303 VanDerWaalsContact O-N 3.08Å; L299-N304 WeakPolarHBondContact O-CA 3.35Å; L299-N304 PolarHBondContact O-N 3.2Å
300	H	87.9	Confident	88.8	Confident	137 Å²	137	35.7 Å²	35.7	63%	0.634	20%	0.195	S	C	*	.	H	α-helix	trans	-59	-43.9	174.3	-179.6	-100.7	0	0	0	111.4	K296 Q297 F298 G303	K296-H300 WeakPolarHBondContact O-CB 3.43Å; K296-H300 PolarHBondContact O-N 3.23Å; Q297-H300 PolarHBondContact O-N 3.34Å; F298-H300 PolarHBondContact O-N 3Å; H300-G303 PolarHBondContact O-N 2.79Å
301	H	88.2	Confident	89.7	Confident	40 Å²	40	30.2 Å²	30.2	19%	0.185	17%	0.167	C	C	.	.	H	α-helix	trans	-64.5	-40.8	176.7	-179.4	74.5	0	0	0	112.9	F192 T194 Q297 F298 L299 G303 Y456 I459	F192-H301 AromaticContact CE2-CD2 3.72Å; F192-H301 AromaticContact CZ-CD2 3.7Å; T194-H301 HydrophobicContact CG2-CB 3.92Å; Q297-H301 WeakPolarHBondContact O-CB 3.42Å; Q297-H301 PolarHBondContact O-N 3.22Å; F298-H301 WeakPolarHBondContact O-CB 3.29Å; F298-H301 PolarHBondContact O-N 3.03Å; L299-H301 VanDerWaalsContact C-N 3.3Å; L299-H301 PolarHBondContact O-N 3.32Å; H301-G303 VanDerWaalsContact C-N 3.28Å; H301-G303 PolarHBondContact O-N 3.43Å; H301-Y456 AromaticContact CD2-CE2 3.89Å; H301-Y456 AromaticContact NE2-CE2 3.5Å; H301-Y456 WeakPolarHBondContact NE2-CE2 3.36Å; H301-I459 PolarHBondContact CE1-O 3.26Å; H301-I459 VanDerWaalsContact CE1-O 3.28Å; H301-I459 PolarHBondContact NE2-O 2.93Å
302	T	91.2	Very high	90.3	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.018	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	7.8	-178.7	64.4	0	0	0	0	113.9	F192 F298 L299 N304 V305 Y456	F192-T302 HydrophobicContact CE1-CG2 4.43Å; F192-T302 HydrophobicContact CZ-CG2 4.08Å; F298-T302 HydrophobicContact CD2-CG2 4.4Å; F298-T302 HydrophobicContact CE1-CG2 4.13Å; F298-T302 HydrophobicContact CE2-CG2 3.98Å; F298-T302 HydrophobicContact CZ-CG2 3.83Å; F298-T302 WeakPolarHBondContact O-CG2 3.44Å; F298-T302 PolarHBondContact O-N 2.85Å; F298-T302 PolarHBondContact O-OG1 3.06Å; L299-T302 PolarHBondContact O-N 2.9Å; L299-T302 PolarHBondContact O-OG1 3.42Å; T302-N304 VanDerWaalsContact C-N 3.3Å; T302-N304 PolarHBondContact O-N 3.49Å; T302-V305 WeakPolarHBondContact CB-O 3.16Å; T302-V305 WeakPolarHBondContact O-CB 3.38Å; T302-V305 WeakPolarHBondContact O-CG2 3.34Å; T302-V305 PolarHBondContact O-N 2.92Å; T302-V305 VanDerWaalsContact O-N 3.13Å; T302-V305 PolarHBondContact OG1-N 2.92Å; T302-V305 PolarHBondContact OG1-O 2.8Å; T302-Y456 HydrophobicContact CG2-CD1 3.72Å; T302-Y456 HydrophobicContact CG2-CD2 4.35Å; T302-Y456 HydrophobicContact CG2-CE1 4.06Å; T302-Y456 HydrophobicContact CG2-CG 3.91Å; T302-Y456 WeakPolarHBondContact O-CB 3.37Å
303	G	90.1	Very high	90.7	Very high	41 Å²	41	27.6 Å²	27.6	42%	0.423	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	40.2	-176.9	0	0	0	0	0	112.7	R284 L299 H300 H301 V305	R284-G303 PolarHBondContact NH1-O 3.14Å; L299-G303 PolarHBondContact O-N 3.4Å; L299-G303 VanDerWaalsContact O-N 3.08Å; H300-G303 PolarHBondContact O-N 2.79Å; H301-G303 VanDerWaalsContact C-N 3.28Å; H301-G303 PolarHBondContact O-N 3.43Å; G303-V305 PolarHBondContact O-N 2.93Å
304	N	92.2	Very high	91.2	Very high	37 Å²	37	24.2 Å²	24.2	20%	0.198	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	20.3	-174.2	-69.7	-17	0	0	0	114.3	R284 Y285 D287 L299 T302	R284-N304 CarbonylContact C-O 3.53Å; R284-N304 WeakPolarHBondContact CA-O 3.35Å; R284-N304 HydrophobicContact CG-CB 4.35Å; Y285-N304 PolarHBondContact N-O 3.31Å; D287-N304 PolarHBondContact OD1-ND2 3.15Å; L299-N304 WeakPolarHBondContact O-CA 3.35Å; L299-N304 PolarHBondContact O-N 3.2Å; T302-N304 VanDerWaalsContact C-N 3.3Å; T302-N304 PolarHBondContact O-N 3.49Å
305	V	93.7	Very high	91.4	Very high	8 Å²	8	25.9 Å²	25.9	5%	0.048	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	127	173.9	-173.9	0	0	0	0	110.6	V260 F282 T302 G303 G455	V260-V305 HydrophobicContact CG2-CB 4.39Å; V260-V305 HydrophobicContact CG2-CG1 3.75Å; V260-V305 HydrophobicContact CG2-CG2 3.82Å; F282-V305 HydrophobicContact CB-CG1 4.26Å; T302-V305 WeakPolarHBondContact CB-O 3.16Å; T302-V305 WeakPolarHBondContact O-CB 3.38Å; T302-V305 WeakPolarHBondContact O-CG2 3.34Å; T302-V305 PolarHBondContact O-N 2.92Å; T302-V305 VanDerWaalsContact O-N 3.13Å; T302-V305 PolarHBondContact OG1-N 2.92Å; T302-V305 PolarHBondContact OG1-O 2.8Å; G303-V305 PolarHBondContact O-N 2.93Å; V305-G455 WeakPolarHBondContact CB-O 3.45Å; V305-G455 WeakPolarHBondContact CG1-O 3.48Å
306	L	94.5	Very high	91.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	130.3	172.8	-174.6	70.6	0	0	0	109.9	L189 F251 V283 Y285 F298 I308	L189-L306 HydrophobicContact CD1-CD1 4.2Å; L189-L306 HydrophobicContact CD2-CD1 3.98Å; L189-L306 HydrophobicContact CD2-CD2 3.91Å; L189-L306 HydrophobicContact CD2-CG 4.1Å; L189-L306 HydrophobicContact CG-CD1 4.48Å; F251-L306 HydrophobicContact CE1-CD2 3.66Å; F251-L306 HydrophobicContact CZ-CD2 4.36Å; V283-L306 HydrophobicContact CG2-CB 3.96Å; V283-L306 HydrophobicContact CG2-CD2 4.23Å; V283-L306 PolarHBondContact N-O 3.02Å; V283-L306 PolarHBondContact O-N 3.22Å; Y285-L306 HydrophobicContact CD2-CD2 4.18Å; F298-L306 HydrophobicContact CE1-CD1 4.41Å; L306-I308 HydrophobicContact CD2-CD1 3.91Å; L306-I308 HydrophobicContact CD2-CG1 3.85Å; L306-I308 HydrophobicContact CG-CD1 4.48Å; L306-I308 HydrophobicContact CG-CG1 3.99Å
307	R	95.2	Very high	91.3	Very high	6 Å²	6	27.2 Å²	27.2	2%	0.023	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	118.7	173.5	-67.7	-167.8	-66.7	-172.5	6.1	110.5	L189 L190 I280 L281 F282 H453 S454 D464	L189-R307 WeakPolarHBondContact CA-O 3.39Å; L190-R307 HydrophobicContact CB-CB 3.73Å; L190-R307 HydrophobicContact CD1-CB 4.21Å; L190-R307 HydrophobicContact CG-CB 4.17Å; L190-R307 PolarHBondContact N-O 2.72Å; L190-R307 PolarHBondContact O-NE 2.94Å; L190-R307 PolarHBondContact O-NH2 3.28Å; I280-R307 HydrophobicContact CG2-CB 4.42Å; L281-R307 WeakPolarHBondContact O-CA 3.48Å; F282-R307 HydrophobicContact CD1-CG 3.79Å; F282-R307 HydrophobicContact CE1-CG 3.77Å; R307-H453 PolarHBondContact NH1-O 3.3Å; R307-S454 VanDerWaalsContact CD-O 3.25Å; R307-S454 WeakPolarHBondContact CD-O 3.37Å; R307-S454 PolarHBondContact NH1-O 3.41Å; R307-S454 VanDerWaalsContact NH1-O 3.12Å; R307-D464 IonicContact CZ-OD1 3.38Å; R307-D464 IonicContact CZ-OD2 3.14Å; R307-D464 IonicContact NH1-OD1 2.8Å; R307-D464 PolarHBondContact NH1-OD1 2.82Å; R307-D464 IonicContact NH1-OD2 3.28Å; R307-D464 PolarHBondContact NH1-OD2 2.88Å; R307-D464 IonicContact NH2-OD1 3.46Å; R307-D464 PolarHBondContact NH2-OD1 2.94Å; R307-D464 IonicContact NH2-OD2 3.57Å; R307-D464 PolarHBondContact NH2-OD2 3.23Å
308	I	97.1	Very high	91.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	112.1	-177.8	-55.4	168.6	0	0	0	108	A187 R188 L189 W234 L236 L252 I280 L281 V283 L306	A187-I308 HydrophobicContact CB-CG2 3.58Å; R188-I308 WeakPolarHBondContact O-CA 3.5Å; L189-I308 HydrophobicContact CD2-CG1 3.95Å; W234-I308 HydrophobicContact CH2-CD1 3.96Å; W234-I308 HydrophobicContact CZ3-CD1 4.44Å; L236-I308 HydrophobicContact CD2-CD1 4.1Å; L236-I308 HydrophobicContact CD2-CG2 4.4Å; L252-I308 HydrophobicContact CD1-CD1 3.73Å; I280-I308 CarbonylContact C-O 3.3Å; I280-I308 WeakPolarHBondContact CA-O 3.19Å; L281-I308 HydrophobicContact CB-CB 4.26Å; L281-I308 PolarHBondContact N-O 2.51Å; L281-I308 PolarHBondContact O-N 3.33Å; V283-I308 HydrophobicContact CG2-CD1 3.58Å; V283-I308 HydrophobicContact CG2-CG1 4.39Å; L306-I308 HydrophobicContact CD2-CD1 3.91Å; L306-I308 HydrophobicContact CD2-CG1 3.85Å; L306-I308 HydrophobicContact CG-CD1 4.48Å; L306-I308 HydrophobicContact CG-CG1 3.99Å
309	L	95.7	Very high	91.5	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.021	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	123.7	171.3	-176.1	75.9	0	0	0	109.2	A187 R188 L190 G278 A279 I280 T311 E475 F587	A187-L309 CarbonylContact C-O 3.59Å; A187-L309 WeakPolarHBondContact CA-O 3.11Å; A187-L309 WeakPolarHBondContact CB-O 2.98Å; R188-L309 HydrophobicContact CG-CB 3.94Å; R188-L309 HydrophobicContact CG-CD2 4.3Å; R188-L309 VanDerWaalsContact CZ-CD2 3.47Å; R188-L309 PolarHBondContact N-O 3.38Å; R188-L309 VanDerWaalsContact NE-CD2 3.34Å; R188-L309 PolarHBondContact O-N 3.09Å; L190-L309 HydrophobicContact CD1-CB 4.41Å; L190-L309 HydrophobicContact CD2-CB 3.8Å; L190-L309 HydrophobicContact CD2-CD2 4.34Å; L190-L309 HydrophobicContact CG-CB 4.1Å; G278-L309 WeakPolarHBondContact O-CD1 3.25Å; A279-L309 WeakPolarHBondContact O-CA 3.48Å; I280-L309 HydrophobicContact CG1-CD1 3.61Å; L309-T311 PolarHBondContact O-N 3Å; L309-E475 WeakPolarHBondContact CD2-OE1 3.49Å; L309-F587 HydrophobicContact CD2-CE2 4.41Å; L309-F587 HydrophobicContact CD2-CZ 4.02Å
310	I	95.7	Very high	91.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	120.6	170.9	-57.8	-57.3	0	0	0	108.3	F185 A187 F275 F276 P277 G278 A279 L281 V313	F185-I310 HydrophobicContact CD2-CD1 3.61Å; F185-I310 HydrophobicContact CE2-CD1 3.82Å; A187-I310 HydrophobicContact CB-CD1 4.31Å; F275-I310 HydrophobicContact CD1-CD1 4.19Å; F275-I310 HydrophobicContact CG-CD1 4.4Å; F276-I310 WeakPolarHBondContact O-CB 3.43Å; F276-I310 WeakPolarHBondContact O-CG2 3.31Å; P277-I310 CarbonylContact C-O 3.47Å; P277-I310 WeakPolarHBondContact CA-O 3.5Å; G278-I310 PolarHBondContact N-O 3.35Å; A279-I310 HydrophobicContact CB-CB 4.31Å; A279-I310 HydrophobicContact CB-CG1 4.2Å; A279-I310 PolarHBondContact O-N 3.12Å; L281-I310 HydrophobicContact CD1-CD1 3.89Å; L281-I310 HydrophobicContact CD1-CG1 4.33Å; L281-I310 HydrophobicContact CG-CD1 4.31Å; L281-I310 HydrophobicContact CG-CG1 4.27Å; I310-V313 HydrophobicContact CG2-CG2 3.49Å; I310-V313 VanDerWaalsContact CG2-CG2 3.49Å
311	T	93	Very high	91.4	Very high	22 Å²	22	28.1 Å²	28.1	14%	0.135	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-15.7	-178.6	58.2	0	0	0	0	113.4	T186 A187 R188 L309 E475 L588	T186-T311 VanDerWaalsContact C-OG1 3.25Å; T186-T311 WeakPolarHBondContact CB-OG1 3.43Å; T186-T311 PolarHBondContact O-N 3.35Å; T186-T311 PolarHBondContact O-OG1 3.19Å; T186-T311 PolarHBondContact OG1-OG1 3.16Å; A187-T311 PolarHBondContact N-OG1 2.87Å; R188-T311 HydrophobicContact CB-CG2 4.31Å; R188-T311 HydrophobicContact CG-CG2 3.88Å; L309-T311 PolarHBondContact O-N 3Å; T311-E475 HydrophobicContact CG2-CG 4.3Å; T311-L588 WeakPolarHBondContact O-CD2 3.33Å
312	G	91.5	Very high	91.4	Very high	5 Å²	5	27.2 Å²	27.2	5%	0.052	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.8	150.2	-176.3	0	0	0	0	0	111.1	F185 T186	F185-G312 CarbonylContact C-O 3.59Å; F185-G312 WeakPolarHBondContact CA-O 3.15Å; F185-G312 VanDerWaalsContact CB-O 3.27Å; F185-G312 WeakPolarHBondContact CB-O 3.47Å; T186-G312 PolarHBondContact N-O 3.47Å; T186-G312 PolarHBondContact O-N 2.76Å; T186-G312 WeakPolarHBondContact OG1-CA 3.49Å; T186-G312 PolarHBondContact OG1-N 2.87Å
313	V	91.8	Very high	91.3	Very high	15 Å²	15	29.7 Å²	29.7	9%	0.091	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	142.4	-179.3	-178.4	0	0	0	0	110	I183 W184 F185 F275 I310 R315 K318	I183-V313 HydrophobicContact CG2-CG1 3.58Å; W184-V313 WeakPolarHBondContact O-CA 3.28Å; F185-V313 HydrophobicContact CB-CG2 4.01Å; F275-V313 HydrophobicContact CB-CG2 4.15Å; I310-V313 HydrophobicContact CG2-CG2 3.49Å; I310-V313 VanDerWaalsContact CG2-CG2 3.49Å; V313-R315 PolarHBondContact O-N 2.93Å; V313-K318 HydrophobicContact CG1-CB 4.23Å; V313-K318 HydrophobicContact CG1-CD 4.18Å
314	D	90.3	Very high	91.2	Very high	31 Å²	31	30.8 Å²	30.8	17%	0.166	16%	0.159	C	C	.	.			trans	-65.9	94.5	167.1	179.9	-8.6	0	0	0	110	W184 L316 S317 K318	W184-D314 HydrophobicContact CB-CB 4.14Å; W184-D314 PolarHBondContact O-N 2.84Å; D314-L316 VanDerWaalsContact C-N 3.29Å; D314-L316 PolarHBondContact O-N 3.03Å; D314-L316 PolarHBondContact OD1-N 2.95Å; D314-S317 VanDerWaalsContact CG-CB 3.48Å; D314-S317 VanDerWaalsContact CG-OG 3.22Å; D314-S317 PolarHBondContact O-N 3.2Å; D314-S317 PolarHBondContact OD1-N 2.81Å; D314-S317 VanDerWaalsContact OD1-N 3.08Å; D314-S317 VanDerWaalsContact OD2-CB 3.27Å; D314-S317 WeakPolarHBondContact OD2-CB 3.28Å; D314-S317 PolarHBondContact OD2-OG 3.27Å; D314-K318 WeakPolarHBondContact O-CB 3.44Å; D314-K318 PolarHBondContact O-N 2.92Å
315	R	86.7	Confident	90.9	Very high	69 Å²	69	29.7 Å²	29.7	26%	0.26	15%	0.152	S	C	.	.	H	α-helix	trans	-61.5	-34.9	-175.7	-64.7	-172	-178.3	172.3	10.2	112.8	V313 R319 E581 N585 E590	V313-R315 PolarHBondContact O-N 2.93Å; R315-R319 VanDerWaalsContact O-CB 3.31Å; R315-R319 WeakPolarHBondContact O-CB 3.33Å; R315-R319 PolarHBondContact O-N 2.93Å; R315-E581 IonicContact NH1-OE1 2.85Å; R315-E581 PolarHBondContact NH1-OE1 3.4Å; R315-E581 VanDerWaalsContact NH1-OE1 3.16Å; R315-N585 VanDerWaalsContact CZ-OD1 3.24Å; R315-N585 PolarHBondContact NH1-OD1 2.94Å; R315-N585 PolarHBondContact NH2-OD1 2.88Å; R315-E590 IonicContact CZ-OE2 3.5Å; R315-E590 IonicContact NH1-OE2 2.67Å; R315-E590 IonicContact NH2-OE2 3.54Å; R315-E590 PolarHBondContact NH2-OE2 2.84Å
316	L	87.1	Confident	90.6	Very high	83 Å²	83	29.3 Å²	29.3	44%	0.435	15%	0.15	S	C	.	.	H	α-helix	trans	-70.4	-49.3	-179.5	179.1	63.5	0	0	0	110.3	D314 K318 R319 N320	D314-L316 VanDerWaalsContact C-N 3.29Å; D314-L316 PolarHBondContact O-N 3.03Å; D314-L316 PolarHBondContact OD1-N 2.95Å; L316-K318 VanDerWaalsContact C-N 3.3Å; L316-K318 PolarHBondContact O-N 3.39Å; L316-R319 PolarHBondContact O-N 3.42Å; L316-N320 PolarHBondContact O-N 3.33Å; L316-N320 PolarHBondContact O-ND2 3.26Å
317	S	89.3	Confident	90.4	Very high	28 Å²	28	32.5 Å²	32.5	20%	0.196	17%	0.172	C	C	.	.	H	α-helix	trans	-63.2	-38.9	177.3	-62.9	0	0	0	0	111.7	R182 D314 N320 A321	R182-S317 VanDerWaalsContact O-CB 3.23Å; R182-S317 WeakPolarHBondContact O-CB 3.39Å; D314-S317 VanDerWaalsContact CG-CB 3.48Å; D314-S317 VanDerWaalsContact CG-OG 3.22Å; D314-S317 PolarHBondContact O-N 3.2Å; D314-S317 PolarHBondContact OD1-N 2.81Å; D314-S317 VanDerWaalsContact OD1-N 3.08Å; D314-S317 VanDerWaalsContact OD2-CB 3.27Å; D314-S317 WeakPolarHBondContact OD2-CB 3.28Å; D314-S317 PolarHBondContact OD2-OG 3.27Å; S317-N320 PolarHBondContact O-N 2.85Å; S317-A321 WeakPolarHBondContact O-CB 3.2Å; S317-A321 PolarHBondContact O-N 3.2Å
318	K	90	Very high	89.9	Confident	19 Å²	19	37.4 Å²	37.4	8%	0.083	19%	0.191	C	C	.	.	H	α-helix	trans	-58.9	-49.3	172.7	-175.4	-176.6	-180	179.1	0	111.5	I183 E272 I273 F275 V313 D314 L316 N320 A321 I322	I183-K318 HydrophobicContact CD1-CB 4.16Å; I183-K318 HydrophobicContact CD1-CG 4.33Å; I183-K318 HydrophobicContact CG2-CB 4.43Å; E272-K318 WeakPolarHBondContact O-CE 3.43Å; I273-K318 PolarHBondContact O-NZ 2.84Å; F275-K318 WeakPolarHBondContact O-CD 3.45Å; F275-K318 VanDerWaalsContact O-CE 3.3Å; F275-K318 WeakPolarHBondContact O-CE 3.48Å; F275-K318 PolarHBondContact O-NZ 2.95Å; V313-K318 HydrophobicContact CG1-CB 4.23Å; V313-K318 HydrophobicContact CG1-CD 4.18Å; D314-K318 WeakPolarHBondContact O-CB 3.44Å; D314-K318 PolarHBondContact O-N 2.92Å; L316-K318 VanDerWaalsContact C-N 3.3Å; L316-K318 PolarHBondContact O-N 3.39Å; K318-N320 PolarHBondContact O-N 3.01Å; K318-A321 WeakPolarHBondContact O-CB 3.46Å; K318-A321 PolarHBondContact O-N 3.28Å; K318-I322 HydrophobicContact CG-CD1 4.31Å; K318-I322 WeakPolarHBondContact O-CG1 3.49Å; K318-I322 PolarHBondContact O-N 3.22Å
319	R	87.8	Confident	89.4	Confident	98 Å²	98	39.5 Å²	39.5	37%	0.37	20%	0.201	S	C	.	.	H	α-helix	trans	-60.6	-46	178.7	-175.5	176.1	-179.8	114.5	5.4	111.7	S118 R315 L316 A321 I322 E323	S118-R319 PolarHBondContact OG-NH1 3.23Å; R315-R319 VanDerWaalsContact O-CB 3.31Å; R315-R319 WeakPolarHBondContact O-CB 3.33Å; R315-R319 PolarHBondContact O-N 2.93Å; L316-R319 PolarHBondContact O-N 3.42Å; R319-A321 VanDerWaalsContact C-N 3.29Å; R319-A321 PolarHBondContact O-N 2.82Å; R319-I322 WeakPolarHBondContact O-CB 3.35Å; R319-I322 PolarHBondContact O-N 2.96Å; R319-E323 HydrophobicContact CG-CG 4.35Å; R319-E323 IonicContact CZ-OE1 2.67Å; R319-E323 IonicContact NE-OE1 3.58Å; R319-E323 PolarHBondContact NE-OE1 3.34Å; R319-E323 IonicContact NH2-OE1 3.58Å; R319-E323 PolarHBondContact NH2-OE1 2.66Å; R319-E323 VanDerWaalsContact NH2-OE1 3.14Å; R319-E323 WeakPolarHBondContact O-CG 3.49Å; R319-E323 PolarHBondContact O-N 3.39Å
320	N	89.5	Confident	89.1	Confident	78 Å²	78	48.1 Å²	48.1	42%	0.417	24%	0.238	S	C	.	.	H	α-helix	trans	-60.8	-39.3	177.9	-66.9	-16.4	0	0	0	111.8	L316 S317 K318 E323 S324	L316-N320 PolarHBondContact O-N 3.33Å; L316-N320 PolarHBondContact O-ND2 3.26Å; S317-N320 PolarHBondContact O-N 2.85Å; K318-N320 PolarHBondContact O-N 3.01Å; N320-E323 PolarHBondContact O-N 3.41Å; N320-S324 WeakPolarHBondContact O-CB 3.34Å; N320-S324 PolarHBondContact O-N 2.94Å
321	A	88.8	Confident	88.7	Confident	3 Å²	3	48.7 Å²	48.7	3%	0.025	24%	0.242	C	C	.	.	H	α-helix	trans	-64.7	-43.4	176	0	0	0	0	0	112.1	I183 P229 E272 S317 K318 R319 E325	I183-A321 HydrophobicContact CD1-CB 4.03Å; P229-A321 HydrophobicContact CB-CB 3.85Å; P229-A321 HydrophobicContact CG-CB 3.6Å; E272-A321 HydrophobicContact CB-CB 3.83Å; S317-A321 WeakPolarHBondContact O-CB 3.2Å; S317-A321 PolarHBondContact O-N 3.2Å; K318-A321 WeakPolarHBondContact O-CB 3.46Å; K318-A321 PolarHBondContact O-N 3.28Å; R319-A321 VanDerWaalsContact C-N 3.29Å; R319-A321 PolarHBondContact O-N 2.82Å; A321-E325 WeakPolarHBondContact O-CB 3.18Å; A321-E325 PolarHBondContact O-N 2.95Å
322	I	88.4	Confident	88.7	Confident	22 Å²	22	50.5 Å²	50.5	11%	0.113	25%	0.253	C	S	.	.	H	α-helix	trans	-57.4	-53	173.5	-72.7	173.3	0	0	0	111.1	E272 K318 R319 S324 E325 L326 M340	E272-I322 HydrophobicContact CB-CG1 3.97Å; E272-I322 HydrophobicContact CG-CG1 4.4Å; E272-I322 VanDerWaalsContact O-CD1 3.26Å; E272-I322 WeakPolarHBondContact O-CD1 3.44Å; E272-I322 VanDerWaalsContact O-CG1 3.28Å; E272-I322 WeakPolarHBondContact O-CG1 3.38Å; K318-I322 HydrophobicContact CG-CD1 4.31Å; K318-I322 WeakPolarHBondContact O-CG1 3.49Å; K318-I322 PolarHBondContact O-N 3.22Å; R319-I322 WeakPolarHBondContact O-CB 3.35Å; R319-I322 PolarHBondContact O-N 2.96Å; I322-S324 VanDerWaalsContact C-N 3.33Å; I322-S324 PolarHBondContact O-N 3.17Å; I322-E325 PolarHBondContact O-N 3.17Å; I322-L326 HydrophobicContact CG2-CD1 3.99Å; I322-L326 HydrophobicContact CG2-CG 4.43Å; I322-L326 WeakPolarHBondContact O-CG 3.18Å; I322-L326 PolarHBondContact O-N 3.46Å; I322-M340 HydrophobicContact CB-SD 4.36Å; I322-M340 HydrophobicContact CD1-SD 3.97Å; I322-M340 HydrophobicContact CG1-SD 4.12Å; I322-M340 HydrophobicContact CG2-CE 3.47Å; I322-M340 VanDerWaalsContact CG2-CE 3.47Å; I322-M340 HydrophobicContact CG2-CG 3.96Å; I322-M340 HydrophobicContact CG2-SD 3.37Å; I322-M340 WeakPolarHBondContact CG2-SD 3.49Å
323	E	89.1	Confident	88.5	Confident	54 Å²	54	57.3 Å²	57.3	25%	0.252	28%	0.282	S	S	.	.	H	α-helix	trans	-66	-37.5	-175.6	-67.7	-177.2	178.6	0	0	111.6	R319 N320 E325 S327 W336	R319-E323 HydrophobicContact CG-CG 4.35Å; R319-E323 IonicContact CZ-OE1 2.67Å; R319-E323 IonicContact NE-OE1 3.58Å; R319-E323 PolarHBondContact NE-OE1 3.34Å; R319-E323 IonicContact NH2-OE1 3.58Å; R319-E323 PolarHBondContact NH2-OE1 2.66Å; R319-E323 VanDerWaalsContact NH2-OE1 3.14Å; R319-E323 WeakPolarHBondContact O-CG 3.49Å; R319-E323 PolarHBondContact O-N 3.39Å; N320-E323 PolarHBondContact O-N 3.41Å; E323-E325 VanDerWaalsContact C-N 3.35Å; E323-S327 VanDerWaalsContact O-CB 3.28Å; E323-S327 WeakPolarHBondContact O-CB 3.4Å; E323-S327 PolarHBondContact O-N 3.1Å; E323-S327 PolarHBondContact O-OG 3.17Å; E323-W336 HydrophobicContact CB-CH2 4Å; E323-W336 HydrophobicContact CB-CZ3 3.77Å; E323-W336 HydrophobicContact CG-CE3 4.03Å; E323-W336 HydrophobicContact CG-CH2 4.26Å; E323-W336 HydrophobicContact CG-CZ3 3.51Å
324	S	87.7	Confident	88.4	Confident	65 Å²	65	63.1 Å²	63.1	46%	0.455	31%	0.308	S	S	.	.	H	α-helix	trans	-59.1	-45.9	172.1	-177.3	0	0	0	0	111.3	N320 I322 S327 R328	N320-S324 WeakPolarHBondContact O-CB 3.34Å; N320-S324 PolarHBondContact O-N 2.94Å; I322-S324 VanDerWaalsContact C-N 3.33Å; I322-S324 PolarHBondContact O-N 3.17Å; S324-S327 PolarHBondContact O-N 3.28Å; S324-R328 WeakPolarHBondContact O-CB 3.02Å; S324-R328 PolarHBondContact O-N 2.92Å
325	E	85.6	Confident	88.3	Confident	13 Å²	13	66 Å²	66	6%	0.061	32%	0.32	C	S	.	.	H	α-helix	trans	-68.9	-43.8	-178.5	-173.7	52.5	-137.4	0	0	112.8	Y64 A321 I322 E323 S327 R328 Q329	Y64-E325 HydrophobicContact CD2-CG 4Å; Y64-E325 HydrophobicContact CE1-CG 4.08Å; Y64-E325 HydrophobicContact CE2-CB 3.93Å; Y64-E325 HydrophobicContact CE2-CG 3.24Å; Y64-E325 WeakPolarHBondContact OH-CG 3.46Å; A321-E325 WeakPolarHBondContact O-CB 3.18Å; A321-E325 PolarHBondContact O-N 2.95Å; I322-E325 PolarHBondContact O-N 3.17Å; E323-E325 VanDerWaalsContact C-N 3.35Å; E325-S327 VanDerWaalsContact C-N 3.3Å; E325-S327 PolarHBondContact O-N 3.39Å; E325-R328 WeakPolarHBondContact O-CB 3.28Å; E325-R328 PolarHBondContact O-N 3.44Å; E325-R328 IonicContact OE1-CZ 3.02Å; E325-R328 IonicContact OE1-NE 2.74Å; E325-R328 PolarHBondContact OE1-NE 2.63Å; E325-R328 VanDerWaalsContact OE1-NE 3.08Å; E325-R328 IonicContact OE1-NH2 2.71Å; E325-R328 PolarHBondContact OE1-NH2 3.42Å; E325-R328 IonicContact OE2-CZ 3.75Å; E325-R328 IonicContact OE2-NE 2.62Å; E325-R328 PolarHBondContact OE2-NE 3.42Å; E325-R328 VanDerWaalsContact OE2-NE 3.13Å; E325-R328 IonicContact OE2-NH1 2.83Å; E325-R328 PolarHBondContact OE2-NH1 3.17Å; E325-R328 IonicContact OE2-NH2 3.04Å; E325-R328 PolarHBondContact OE2-NH2 3.18Å; E325-Q329 WeakPolarHBondContact O-CG 3.38Å; E325-Q329 PolarHBondContact O-N 2.96Å; E325-Q329 PolarHBondContact OE1-NE2 3.36Å
326	L	88.8	Confident	88.4	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-62	-39.4	175	-70.4	177.7	0	0	0	111.9	Y64 I322 Q329 K330 V331 W336 V339 M340	Y64-L326 HydrophobicContact CD2-CD2 4.35Å; Y64-L326 HydrophobicContact CE2-CD2 4.22Å; I322-L326 HydrophobicContact CG2-CD1 3.99Å; I322-L326 HydrophobicContact CG2-CG 4.43Å; I322-L326 WeakPolarHBondContact O-CG 3.18Å; I322-L326 PolarHBondContact O-N 3.46Å; L326-Q329 CarbonylContact O-C 3.59Å; L326-Q329 PolarHBondContact O-N 3.24Å; L326-K330 PolarHBondContact O-N 3.31Å; L326-V331 HydrophobicContact CB-CB 4.36Å; L326-V331 HydrophobicContact CD2-CB 4.24Å; L326-V331 HydrophobicContact CD2-CG1 4.4Å; L326-V331 HydrophobicContact CD2-CG2 4.01Å; L326-V331 PolarHBondContact O-N 3.09Å; L326-W336 HydrophobicContact CB-CD2 4.33Å; L326-W336 HydrophobicContact CB-CG 4.44Å; L326-W336 HydrophobicContact CB-CZ2 4.3Å; L326-W336 HydrophobicContact CD1-CB 3.72Å; L326-W336 HydrophobicContact CD1-CD2 3.79Å; L326-W336 HydrophobicContact CD1-CE3 4.41Å; L326-W336 HydrophobicContact CD1-CG 3.48Å; L326-W336 VanDerWaalsContact CD1-CG 3.48Å; L326-V339 HydrophobicContact CD2-CB 4.36Å; L326-V339 HydrophobicContact CD2-CG1 3.87Å; L326-M340 HydrophobicContact CD1-CE 3.72Å; L326-M340 HydrophobicContact CD1-CG 4.27Å; L326-M340 HydrophobicContact CD2-CE 3.67Å; L326-M340 HydrophobicContact CG-CE 3.72Å
327	S	89.5	Confident	88.4	Confident	66 Å²	66	62.5 Å²	62.5	46%	0.462	30%	0.303	S	S	.	.	H	α-helix	trans	-66.2	-42.2	175.3	-59.4	0	0	0	0	111.7	E323 S324 E325 Q329 K330 W336	E323-S327 VanDerWaalsContact O-CB 3.28Å; E323-S327 WeakPolarHBondContact O-CB 3.4Å; E323-S327 PolarHBondContact O-N 3.1Å; E323-S327 PolarHBondContact O-OG 3.17Å; S324-S327 PolarHBondContact O-N 3.28Å; E325-S327 VanDerWaalsContact C-N 3.3Å; E325-S327 PolarHBondContact O-N 3.39Å; S327-Q329 VanDerWaalsContact C-N 3.27Å; S327-Q329 PolarHBondContact O-N 2.86Å; S327-K330 WeakPolarHBondContact O-CA 3.04Å; S327-K330 PolarHBondContact O-N 3.19Å; S327-W336 WeakPolarHBondContact OG-CZ2 3.46Å
328	R	85.4	Confident	88.4	Confident	110 Å²	110	62.2 Å²	62.2	42%	0.415	30%	0.301	S	S	.	.	H	α-helix	trans	-59	-40.1	175.4	-171.4	-176.8	77.9	-177.3	9.1	111.6	P61 S324 E325 K330	P61-R328 VanDerWaalsContact CG-NH1 3.33Å; S324-R328 WeakPolarHBondContact O-CB 3.02Å; S324-R328 PolarHBondContact O-N 2.92Å; E325-R328 WeakPolarHBondContact O-CB 3.28Å; E325-R328 PolarHBondContact O-N 3.44Å; E325-R328 IonicContact OE1-CZ 3.02Å; E325-R328 IonicContact OE1-NE 2.74Å; E325-R328 PolarHBondContact OE1-NE 2.63Å; E325-R328 VanDerWaalsContact OE1-NE 3.08Å; E325-R328 IonicContact OE1-NH2 2.71Å; E325-R328 PolarHBondContact OE1-NH2 3.42Å; E325-R328 IonicContact OE2-CZ 3.75Å; E325-R328 IonicContact OE2-NE 2.62Å; E325-R328 PolarHBondContact OE2-NE 3.42Å; E325-R328 VanDerWaalsContact OE2-NE 3.13Å; E325-R328 IonicContact OE2-NH1 2.83Å; E325-R328 PolarHBondContact OE2-NH1 3.17Å; E325-R328 IonicContact OE2-NH2 3.04Å; E325-R328 PolarHBondContact OE2-NH2 3.18Å; R328-K330 PolarHBondContact O-N 2.9Å
329	Q	86.1	Confident	88.2	Confident	44 Å²	44	61.5 Å²	61.5	21%	0.206	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	3.2	175.5	-66.9	-178.3	37	0	0	113.8	Y64 E325 L326 S327 V331	Y64-Q329 VanDerWaalsContact CG-NE2 3.32Å; E325-Q329 WeakPolarHBondContact O-CG 3.38Å; E325-Q329 PolarHBondContact O-N 2.96Å; E325-Q329 PolarHBondContact OE1-NE2 3.36Å; L326-Q329 CarbonylContact O-C 3.59Å; L326-Q329 PolarHBondContact O-N 3.24Å; S327-Q329 VanDerWaalsContact C-N 3.27Å; S327-Q329 PolarHBondContact O-N 2.86Å; Q329-V331 HydrophobicContact CB-CG2 3.99Å; Q329-V331 PolarHBondContact O-N 3.21Å
330	K	89.4	Confident	88.1	Confident	184 Å²	184	57.4 Å²	57.4	80%	0.8	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	32.9	-179.6	-54.8	-179.9	-179.8	178.9	0	113.2	L326 S327 R328	L326-K330 PolarHBondContact O-N 3.31Å; S327-K330 WeakPolarHBondContact O-CA 3.04Å; S327-K330 PolarHBondContact O-N 3.19Å; R328-K330 PolarHBondContact O-N 2.9Å
331	V	87.6	Confident	88	Confident	13 Å²	13	53.7 Å²	53.7	8%	0.079	26%	0.263	C	S	.	.			trans	-71.7	127.1	176	-177.2	0	0	0	0	108.8	T69 L326 Q329 Q335 W336 V339	T69-V331 HydrophobicContact CG2-CG2 3.86Å; L326-V331 HydrophobicContact CB-CB 4.36Å; L326-V331 HydrophobicContact CD2-CB 4.24Å; L326-V331 HydrophobicContact CD2-CG1 4.4Å; L326-V331 HydrophobicContact CD2-CG2 4.01Å; L326-V331 PolarHBondContact O-N 3.09Å; Q329-V331 HydrophobicContact CB-CG2 3.99Å; Q329-V331 PolarHBondContact O-N 3.21Å; V331-Q335 HydrophobicContact CG1-CB 4.16Å; V331-W336 PolarHBondContact O-NE1 3.16Å; V331-V339 HydrophobicContact CG1-CG2 3.89Å
332	P	91.2	Very high	87.9	Confident	59 Å²	59	55.8 Å²	55.8	38%	0.383	27%	0.272	S	S	.	.			trans	-56.7	138	175.2	-24.2	33.7	0	0	0	111.9	E334 Q335	P332-E334 WeakPolarHBondContact CB-OE2 3.36Å; P332-E334 PolarHBondContact O-N 3.49Å; P332-E334 VanDerWaalsContact O-N 3.13Å; P332-Q335 HydrophobicContact CB-CG 4.46Å; P332-Q335 PolarHBondContact O-N 2.66Å
333	K	88.6	Confident	87.8	Confident	148 Å²	148	55 Å²	55	64%	0.643	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-58.4	-31.1	-175.1	-73.9	-172.6	177.1	-176.7	0	112.6	Q335 W336	K333-Q335 PolarHBondContact O-N 3.19Å; K333-W336 HydrophobicContact CG-CD2 4.36Å; K333-W336 HydrophobicContact CG-CH2 4.18Å; K333-W336 HydrophobicContact CG-CZ2 3.8Å; K333-W336 PolarHBondContact O-N 3.41Å
334	E	88.5	Confident	87.6	Confident	137 Å²	137	53.1 Å²	53.1	64%	0.64	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-64.7	-26.1	179.8	-53.1	72.6	-152.3	0	0	111.7	R115 P332	R115-E334 PolarHBondContact NH2-O 3.16Å; P332-E334 WeakPolarHBondContact CB-OE2 3.36Å; P332-E334 PolarHBondContact O-N 3.49Å; P332-E334 VanDerWaalsContact O-N 3.13Å
335	Q	88.4	Confident	87.5	Confident	91 Å²	91	50.6 Å²	50.6	43%	0.425	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-93.6	-11.4	-178	-63.3	-177.9	-6	0	0	113.7	V331 P332 K333 F337 S338 V339	V331-Q335 HydrophobicContact CG1-CB 4.16Å; P332-Q335 HydrophobicContact CB-CG 4.46Å; P332-Q335 PolarHBondContact O-N 2.66Å; K333-Q335 PolarHBondContact O-N 3.19Å; Q335-F337 PolarHBondContact O-N 3.36Å; Q335-S338 WeakPolarHBondContact O-CA 3.42Å; Q335-S338 WeakPolarHBondContact O-CB 3.48Å; Q335-S338 PolarHBondContact O-N 3.48Å; Q335-V339 HydrophobicContact CB-CG2 4.36Å; Q335-V339 WeakPolarHBondContact O-CG2 2.98Å; Q335-V339 PolarHBondContact O-N 3Å
336	W	89.3	Confident	87.5	Confident	36 Å²	36	52.4 Å²	52.4	14%	0.136	26%	0.258	C	S	.	.	H	α-helix	trans	-53.2	-47.8	-170.5	-75.6	9.9	0	0	0	113.8	E323 L326 S327 V331 K333 S338 V339 M340	E323-W336 HydrophobicContact CB-CH2 4Å; E323-W336 HydrophobicContact CB-CZ3 3.77Å; E323-W336 HydrophobicContact CG-CE3 4.03Å; E323-W336 HydrophobicContact CG-CH2 4.26Å; E323-W336 HydrophobicContact CG-CZ3 3.51Å; L326-W336 HydrophobicContact CB-CD2 4.33Å; L326-W336 HydrophobicContact CB-CG 4.44Å; L326-W336 HydrophobicContact CB-CZ2 4.3Å; L326-W336 HydrophobicContact CD1-CB 3.72Å; L326-W336 HydrophobicContact CD1-CD2 3.79Å; L326-W336 HydrophobicContact CD1-CE3 4.41Å; L326-W336 HydrophobicContact CD1-CG 3.48Å; L326-W336 VanDerWaalsContact CD1-CG 3.48Å; S327-W336 WeakPolarHBondContact OG-CZ2 3.46Å; V331-W336 PolarHBondContact O-NE1 3.16Å; K333-W336 HydrophobicContact CG-CD2 4.36Å; K333-W336 HydrophobicContact CG-CH2 4.18Å; K333-W336 HydrophobicContact CG-CZ2 3.8Å; K333-W336 PolarHBondContact O-N 3.41Å; W336-S338 VanDerWaalsContact C-N 3.32Å; W336-S338 PolarHBondContact O-N 3.47Å; W336-V339 PolarHBondContact O-N 2.76Å; W336-M340 WeakPolarHBondContact O-CB 3.34Å; W336-M340 VanDerWaalsContact O-CG 3.27Å; W336-M340 WeakPolarHBondContact O-CG 3.37Å; W336-M340 PolarHBondContact O-N 3.39Å
337	F	87.6	Confident	87.4	Confident	43 Å²	43	53.8 Å²	53.8	19%	0.189	26%	0.263	C	S	.	.	H	α-helix	trans	-64.3	-37.1	178.5	-66.1	-69.7	0	0	0	112.6	E111 W114 R115 S118 Q335 M340 A341	E111-F337 HydrophobicContact CG-CB 3.76Å; W114-F337 HydrophobicContact CB-CD1 3.57Å; W114-F337 HydrophobicContact CB-CE1 3.97Å; W114-F337 HydrophobicContact CE3-CD1 4.44Å; R115-F337 HydrophobicContact CG-CB 4.24Å; R115-F337 HydrophobicContact CG-CD2 3.6Å; R115-F337 HydrophobicContact CG-CE2 4.11Å; R115-F337 HydrophobicContact CG-CG 3.93Å; S118-F337 VanDerWaalsContact OG-CE1 3.28Å; S118-F337 WeakPolarHBondContact OG-CE1 3.47Å; S118-F337 WeakPolarHBondContact OG-CZ 3.49Å; Q335-F337 PolarHBondContact O-N 3.36Å; F337-M340 PolarHBondContact O-N 2.93Å; F337-A341 WeakPolarHBondContact O-CB 3.04Å; F337-A341 PolarHBondContact O-N 3.19Å
338	S	87.9	Confident	87.3	Confident	23 Å²	23	51.8 Å²	51.8	16%	0.161	25%	0.247	C	C	.	.	H	α-helix	trans	-66.9	-46.4	178.5	-160.6	0	0	0	0	111.5	E111 Q335 W336 M340 A341 K342	E111-S338 WeakPolarHBondContact OE2-CA 3.28Å; E111-S338 WeakPolarHBondContact OE2-CB 3.18Å; E111-S338 PolarHBondContact OE2-OG 3.41Å; Q335-S338 WeakPolarHBondContact O-CA 3.42Å; Q335-S338 WeakPolarHBondContact O-CB 3.48Å; Q335-S338 PolarHBondContact O-N 3.48Å; W336-S338 VanDerWaalsContact C-N 3.32Å; W336-S338 PolarHBondContact O-N 3.47Å; S338-M340 VanDerWaalsContact C-N 3.34Å; S338-M340 PolarHBondContact O-N 3.06Å; S338-A341 PolarHBondContact O-N 3.21Å; S338-K342 WeakPolarHBondContact O-CG 3.41Å; S338-K342 PolarHBondContact O-N 2.9Å; S338-K342 VanDerWaalsContact O-N 3.11Å
339	V	87.8	Confident	87.6	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.018	24%	0.242	C	C	.	.	H	α-helix	trans	-59.7	-46.9	175.6	177.1	0	0	0	0	110.1	A68 T69 L326 V331 Q335 W336 A341 K342 L343	A68-V339 HydrophobicContact CB-CG1 4.34Å; A68-V339 VanDerWaalsContact O-CG2 3.29Å; A68-V339 WeakPolarHBondContact O-CG2 3.38Å; T69-V339 HydrophobicContact CG2-CG1 4.09Å; L326-V339 HydrophobicContact CD2-CB 4.36Å; L326-V339 HydrophobicContact CD2-CG1 3.87Å; V331-V339 HydrophobicContact CG1-CG2 3.89Å; Q335-V339 HydrophobicContact CB-CG2 4.36Å; Q335-V339 WeakPolarHBondContact O-CG2 2.98Å; Q335-V339 PolarHBondContact O-N 3Å; W336-V339 PolarHBondContact O-N 2.76Å; V339-A341 VanDerWaalsContact C-N 3.3Å; V339-A341 PolarHBondContact O-N 2.83Å; V339-K342 PolarHBondContact O-N 3.48Å; V339-L343 HydrophobicContact CG1-CD1 3.82Å; V339-L343 HydrophobicContact CG1-CG 4.4Å; V339-L343 VanDerWaalsContact O-CG 3.31Å; V339-L343 WeakPolarHBondContact O-CG 3.49Å; V339-L343 PolarHBondContact O-N 3.44Å
340	M	85.3	Confident	87.7	Confident	12 Å²	12	48 Å²	48	6%	0.059	24%	0.236	C	C	.	.	H	α-helix	trans	-61.5	-39	178.5	-74.3	-65.3	127.5	0	0	111.9	Y64 W114 I322 L326 W336 F337 S338 L343 H344	Y64-M340 HydrophobicContact CE2-CE 4Å; W114-M340 HydrophobicContact CE3-CB 4.19Å; W114-M340 HydrophobicContact CH2-CB 4.24Å; W114-M340 HydrophobicContact CZ3-CB 3.45Å; W114-M340 VanDerWaalsContact CZ3-CB 3.45Å; I322-M340 HydrophobicContact CB-SD 4.36Å; I322-M340 HydrophobicContact CD1-SD 3.97Å; I322-M340 HydrophobicContact CG1-SD 4.12Å; I322-M340 HydrophobicContact CG2-CE 3.47Å; I322-M340 VanDerWaalsContact CG2-CE 3.47Å; I322-M340 HydrophobicContact CG2-CG 3.96Å; I322-M340 HydrophobicContact CG2-SD 3.37Å; I322-M340 WeakPolarHBondContact CG2-SD 3.49Å; L326-M340 HydrophobicContact CD1-CE 3.72Å; L326-M340 HydrophobicContact CD1-CG 4.27Å; L326-M340 HydrophobicContact CD2-CE 3.67Å; L326-M340 HydrophobicContact CG-CE 3.72Å; W336-M340 WeakPolarHBondContact O-CB 3.34Å; W336-M340 VanDerWaalsContact O-CG 3.27Å; W336-M340 WeakPolarHBondContact O-CG 3.37Å; W336-M340 PolarHBondContact O-N 3.39Å; F337-M340 PolarHBondContact O-N 2.93Å; S338-M340 VanDerWaalsContact C-N 3.34Å; S338-M340 PolarHBondContact O-N 3.06Å; M340-L343 HydrophobicContact CE-CD1 3.75Å; M340-L343 PolarHBondContact O-N 3.21Å; M340-H344 PolarHBondContact O-N 2.95Å; M340-H344 PolarHBondContact O-ND1 3.38Å
341	A	85.9	Confident	87.7	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-68.6	-44.6	-174.7	0	0	0	0	0	109.2	C107 L110 E111 W114 F337 S338 V339 L343 H344 V345	C107-A341 HydrophobicContact CB-CB 4.47Å; C107-A341 WeakPolarHBondContact O-CB 3.32Å; L110-A341 HydrophobicContact CB-CB 4.12Å; E111-A341 HydrophobicContact CB-CB 4.38Å; W114-A341 HydrophobicContact CE3-CB 4.32Å; W114-A341 HydrophobicContact CH2-CB 4.29Å; W114-A341 HydrophobicContact CZ3-CB 3.77Å; F337-A341 WeakPolarHBondContact O-CB 3.04Å; F337-A341 PolarHBondContact O-N 3.19Å; S338-A341 PolarHBondContact O-N 3.21Å; V339-A341 VanDerWaalsContact C-N 3.3Å; V339-A341 PolarHBondContact O-N 2.83Å; A341-L343 PolarHBondContact O-N 3.42Å; A341-H344 PolarHBondContact O-N 3.37Å; A341-V345 WeakPolarHBondContact O-CB 3.44Å; A341-V345 VanDerWaalsContact O-CG2 3.29Å; A341-V345 WeakPolarHBondContact O-CG2 3.35Å; A341-V345 PolarHBondContact O-N 2.85Å
342	K	87.9	Confident	87.7	Confident	47 Å²	47	46.9 Å²	46.9	20%	0.204	23%	0.226	C	C	.	.	H	α-helix	trans	-57.7	-46	172.9	-73.5	170.8	-176	164.6	0	112.3	W67 L71 C107 S338 V339 A346	W67-K342 HydrophobicContact CZ3-CB 4.03Å; L71-K342 HydrophobicContact CD1-CD 4.16Å; C107-K342 HydrophobicContact CB-CG 4.41Å; S338-K342 WeakPolarHBondContact O-CG 3.41Å; S338-K342 PolarHBondContact O-N 2.9Å; S338-K342 VanDerWaalsContact O-N 3.11Å; V339-K342 PolarHBondContact O-N 3.48Å; K342-A346 VanDerWaalsContact O-CB 3.28Å; K342-A346 WeakPolarHBondContact O-CB 3.43Å; K342-A346 PolarHBondContact O-N 3.02Å
343	L	86.2	Confident	87.4	Confident	7 Å²	7	48.2 Å²	48.2	4%	0.037	22%	0.224	C	C	.	.	H	α-helix	trans	-64	-42.2	178.7	-73.6	169.3	0	0	0	112.5	Y64 P65 A68 I273 V339 M340 A341 R347	Y64-L343 HydrophobicContact CD1-CD1 4.27Å; Y64-L343 HydrophobicContact CD2-CD1 3.94Å; Y64-L343 HydrophobicContact CE2-CD1 4.21Å; Y64-L343 HydrophobicContact CG-CD1 3.96Å; P65-L343 HydrophobicContact CG-CD2 4.31Å; A68-L343 HydrophobicContact CB-CD2 3.56Å; A68-L343 HydrophobicContact CB-CG 3.82Å; I273-L343 HydrophobicContact CD1-CB 4.19Å; I273-L343 HydrophobicContact CD1-CD1 3.86Å; I273-L343 HydrophobicContact CD1-CD2 4.3Å; I273-L343 HydrophobicContact CD1-CG 4.35Å; I273-L343 HydrophobicContact CG2-CB 4.31Å; V339-L343 HydrophobicContact CG1-CD1 3.82Å; V339-L343 HydrophobicContact CG1-CG 4.4Å; V339-L343 VanDerWaalsContact O-CG 3.31Å; V339-L343 WeakPolarHBondContact O-CG 3.49Å; V339-L343 PolarHBondContact O-N 3.44Å; M340-L343 HydrophobicContact CE-CD1 3.75Å; M340-L343 PolarHBondContact O-N 3.21Å; A341-L343 PolarHBondContact O-N 3.42Å; L343-R347 VanDerWaalsContact O-CG 3.24Å; L343-R347 WeakPolarHBondContact O-CG 3.46Å; L343-R347 PolarHBondContact O-N 3.2Å
344	H	84.1	Confident	87.5	Confident	13 Å²	13	44 Å²	44	6%	0.06	20%	0.204	C	C	.	.	H	α-helix	trans	-69.3	-46.4	178.6	-75.5	79.4	0	0	0	111.6	W114 M340 A341 A346 R347 L348	W114-H344 HydrophobicContact CH2-CB 4.07Å; W114-H344 AromaticContact CH2-CG 3.78Å; W114-H344 AromaticContact CH2-ND1 3.49Å; W114-H344 WeakPolarHBondContact CH2-ND1 3.45Å; M340-H344 PolarHBondContact O-N 2.95Å; M340-H344 PolarHBondContact O-ND1 3.38Å; A341-H344 PolarHBondContact O-N 3.37Å; H344-A346 VanDerWaalsContact C-N 3.28Å; H344-A346 PolarHBondContact O-N 3.4Å; H344-R347 PolarHBondContact O-N 2.92Å; H344-L348 PolarHBondContact O-N 2.92Å
345	V	85.6	Confident	87.6	Confident	12 Å²	12	38.3 Å²	38.3	7%	0.073	18%	0.178	C	C	.	.	H	α-helix	trans	-57.9	-42	177.8	165.8	0	0	0	0	111.3	T103 I106 L110 A341 R347 L348 P352	T103-V345 HydrophobicContact CG2-CG1 3.92Å; I106-V345 HydrophobicContact CG2-CG2 4.12Å; L110-V345 HydrophobicContact CD1-CG2 3.47Å; L110-V345 VanDerWaalsContact CD1-CG2 3.47Å; A341-V345 WeakPolarHBondContact O-CB 3.44Å; A341-V345 VanDerWaalsContact O-CG2 3.29Å; A341-V345 WeakPolarHBondContact O-CG2 3.35Å; A341-V345 PolarHBondContact O-N 2.85Å; V345-R347 PolarHBondContact O-N 2.89Å; V345-L348 PolarHBondContact O-N 3.16Å; V345-P352 HydrophobicContact CG1-CG 3.56Å
346	A	85.2	Confident	87.7	Confident	51 Å²	51	34.2 Å²	34.2	42%	0.421	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-13.6	177.4	0	0	0	0	0	114.3	W67 K342 H344	W67-A346 HydrophobicContact CH2-CB 3.37Å; W67-A346 HydrophobicContact CZ2-CB 3.94Å; W67-A346 HydrophobicContact CZ3-CB 4.32Å; K342-A346 VanDerWaalsContact O-CB 3.28Å; K342-A346 WeakPolarHBondContact O-CB 3.43Å; K342-A346 PolarHBondContact O-N 3.02Å; H344-A346 VanDerWaalsContact C-N 3.28Å; H344-A346 PolarHBondContact O-N 3.4Å
347	R	87.2	Confident	87.7	Confident	31 Å²	31	35.7 Å²	35.7	12%	0.117	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	0.2	-178.1	-68.5	-173.8	93.8	80.5	-4.7	113.9	R264 V268 I273 D274 L343 H344 V345	R264-R347 PolarHBondContact NH1-O 3.01Å; R264-R347 VanDerWaalsContact NH2-CZ 3.29Å; V268-R347 PolarHBondContact O-NH2 3.32Å; I273-R347 VanDerWaalsContact CG2-CD 3.45Å; D274-R347 IonicContact OD1-CZ 3.08Å; D274-R347 IonicContact OD1-NE 3.06Å; D274-R347 PolarHBondContact OD1-NE 3.38Å; D274-R347 IonicContact OD1-NH2 3.75Å; D274-R347 PolarHBondContact OD1-NH2 2.9Å; D274-R347 IonicContact OD2-CZ 2.91Å; D274-R347 IonicContact OD2-NE 3.16Å; D274-R347 PolarHBondContact OD2-NE 2.92Å; D274-R347 IonicContact OD2-NH2 3.13Å; D274-R347 PolarHBondContact OD2-NH2 3.47Å; L343-R347 VanDerWaalsContact O-CG 3.24Å; L343-R347 WeakPolarHBondContact O-CG 3.46Å; L343-R347 PolarHBondContact O-N 3.2Å; H344-R347 PolarHBondContact O-N 2.92Å; V345-R347 PolarHBondContact O-N 2.89Å
348	L	88.4	Confident	87.9	Confident	23 Å²	23	34 Å²	34	12%	0.12	16%	0.16	C	C	.	.	S	Bend	trans	-62.2	147.6	170.9	-66.1	173.9	0	0	0	111.2	H344 V345 I350 P352 M355 F577	H344-L348 PolarHBondContact O-N 2.92Å; V345-L348 PolarHBondContact O-N 3.16Å; L348-I350 VanDerWaalsContact C-N 3.3Å; L348-I350 WeakPolarHBondContact CB-O 3.24Å; L348-I350 PolarHBondContact O-N 3.19Å; L348-P352 HydrophobicContact CD1-CG 4.07Å; L348-M355 HydrophobicContact CD1-CE 3.84Å; L348-M355 HydrophobicContact CD2-CE 4.13Å; L348-F577 HydrophobicContact CD1-CD2 4.06Å; L348-F577 HydrophobicContact CD1-CE2 4.01Å
349	L	90.2	Very high	88.2	Confident	58 Å²	58	34.1 Å²	34.1	30%	0.304	16%	0.158	S	C	.	.	S	Bend	trans	-67.8	-33.4	179.3	-63.4	-175.7	0	0	0	112.5	I280 F282 A452	I280-L349 HydrophobicContact CB-CD1 4.23Å; I280-L349 HydrophobicContact CD1-CD1 4.19Å; F282-L349 HydrophobicContact CE2-CD1 4.18Å; F282-L349 HydrophobicContact CE2-CD2 3.68Å; F282-L349 HydrophobicContact CZ-CD1 4.27Å; L349-A452 HydrophobicContact CB-CB 4.47Å
350	I	90.1	Very high	88.3	Confident	16 Å²	16	38 Å²	38	8%	0.082	17%	0.174	C	C	.	.	S	Bend	trans	-124.1	149	-179.5	-51.2	170.5	0	0	0	108	L348 Y354 A449 A452 H453	L348-I350 VanDerWaalsContact C-N 3.3Å; L348-I350 WeakPolarHBondContact CB-O 3.24Å; L348-I350 PolarHBondContact O-N 3.19Å; I350-Y354 HydrophobicContact CG2-CD2 4.03Å; I350-Y354 HydrophobicContact CG2-CG 4.31Å; I350-A449 VanDerWaalsContact CD1-CA 3.45Å; I350-A449 HydrophobicContact CD1-CB 3.39Å; I350-A452 HydrophobicContact CD1-CB 4.41Å; I350-A452 HydrophobicContact CG1-CB 3.66Å; I350-H453 WeakPolarHBondContact CD1-CE1 3.39Å
351	R	88	Confident	88.7	Confident	166 Å²	166	37.7 Å²	37.7	63%	0.626	17%	0.173	S	C	*	.			trans	-52	137.8	171.7	-67.1	-173.4	177.4	118.3	0.4	110.9	R353 Y354 M355	R351-R353 VanDerWaalsContact C-N 3.31Å; R351-R353 PolarHBondContact O-N 2.9Å; R351-Y354 HydrophobicContact CB-CD2 4.09Å; R351-Y354 HydrophobicContact CB-CG 4.44Å; R351-Y354 WeakPolarHBondContact O-CB 3.43Å; R351-Y354 PolarHBondContact O-N 3.11Å; R351-M355 PolarHBondContact O-N 2.83Å; R351-M355 VanDerWaalsContact O-N 3.11Å
352	P	87.2	Confident	89.1	Confident	8 Å²	8	38.5 Å²	38.5	5%	0.052	18%	0.177	C	C	.	.	H	α-helix	trans	-52.5	-42.9	-176.7	-29.6	33.7	0	0	0	114.9	I106 V345 L348 Y354 M355 M356 F577	I106-P352 HydrophobicContact CD1-CB 3.29Å; I106-P352 HydrophobicContact CD1-CG 4.42Å; I106-P352 HydrophobicContact CG2-CB 4.27Å; V345-P352 HydrophobicContact CG1-CG 3.56Å; L348-P352 HydrophobicContact CD1-CG 4.07Å; P352-Y354 VanDerWaalsContact C-N 3.33Å; P352-Y354 PolarHBondContact O-N 3.33Å; P352-M355 WeakPolarHBondContact O-CB 3.42Å; P352-M355 PolarHBondContact O-N 3.46Å; P352-M355 VanDerWaalsContact O-N 3.11Å; P352-M356 WeakPolarHBondContact O-CG 3.28Å; P352-M356 PolarHBondContact O-N 3.36Å; P352-F577 HydrophobicContact CB-CE2 3.99Å; P352-F577 HydrophobicContact CB-CZ 4.11Å
353	R	86.4	Confident	89.4	Confident	88 Å²	88	36.7 Å²	36.7	33%	0.332	17%	0.17	S	C	.	.	H	α-helix	trans	-55.9	-47.2	178	-178.9	-179.4	179	147.3	-2.2	111.9	S98 I102 R351 M355 M356 E357	S98-R353 PolarHBondContact OG-NH1 3.48Å; I102-R353 HydrophobicContact CD1-CG 4.15Å; I102-R353 VanDerWaalsContact CD1-NH1 3.3Å; I102-R353 HydrophobicContact CG2-CB 4.17Å; R351-R353 VanDerWaalsContact C-N 3.31Å; R351-R353 PolarHBondContact O-N 2.9Å; R353-M355 VanDerWaalsContact C-N 3.32Å; R353-M355 PolarHBondContact O-N 3.27Å; R353-M356 PolarHBondContact O-N 3.11Å; R353-E357 PolarHBondContact O-N 2.95Å; R353-E357 VanDerWaalsContact O-N 3.09Å
354	Y	90.2	Very high	89.7	Confident	59 Å²	59	38.6 Å²	38.6	23%	0.231	18%	0.18	C	C	.	.	H	α-helix	trans	-65.5	-37.4	178.4	-69.9	-12.1	0	0	0	111.6	I350 R351 P352 M356 E357 L358 L445	I350-Y354 HydrophobicContact CG2-CD2 4.03Å; I350-Y354 HydrophobicContact CG2-CG 4.31Å; R351-Y354 HydrophobicContact CB-CD2 4.09Å; R351-Y354 HydrophobicContact CB-CG 4.44Å; R351-Y354 WeakPolarHBondContact O-CB 3.43Å; R351-Y354 PolarHBondContact O-N 3.11Å; P352-Y354 VanDerWaalsContact C-N 3.33Å; P352-Y354 PolarHBondContact O-N 3.33Å; Y354-M356 PolarHBondContact O-N 2.83Å; Y354-E357 PolarHBondContact O-N 3.19Å; Y354-L358 WeakPolarHBondContact O-CB 3.3Å; Y354-L358 PolarHBondContact O-N 2.89Å; Y354-L445 HydrophobicContact CD1-CD1 3.87Å; Y354-L445 HydrophobicContact CD2-CD1 4.35Å; Y354-L445 HydrophobicContact CG-CD1 3.59Å; Y354-L445 WeakPolarHBondContact O-CD1 3.26Å
355	M	90.7	Very high	90.3	Very high	18 Å²	18	38 Å²	38	9%	0.089	18%	0.177	C	C	.	.	H	α-helix	trans	-64.9	-39.1	175.4	-162.2	162.6	74.3	0	0	112.2	L348 R351 P352 R353 L358 F359 F577	L348-M355 HydrophobicContact CD1-CE 3.84Å; L348-M355 HydrophobicContact CD2-CE 4.13Å; R351-M355 PolarHBondContact O-N 2.83Å; R351-M355 VanDerWaalsContact O-N 3.11Å; P352-M355 WeakPolarHBondContact O-CB 3.42Å; P352-M355 PolarHBondContact O-N 3.46Å; P352-M355 VanDerWaalsContact O-N 3.11Å; R353-M355 VanDerWaalsContact C-N 3.32Å; R353-M355 PolarHBondContact O-N 3.27Å; M355-L358 PolarHBondContact O-N 3.49Å; M355-F359 HydrophobicContact CE-CE2 4.37Å; M355-F359 HydrophobicContact CG-CD2 4.45Å; M355-F359 HydrophobicContact CG-CE2 3.73Å; M355-F359 HydrophobicContact CG-CZ 3.83Å; M355-F359 VanDerWaalsContact O-CD2 3.23Å; M355-F359 WeakPolarHBondContact O-CD2 3.47Å; M355-F359 WeakPolarHBondContact O-CG 3.44Å; M355-F359 PolarHBondContact O-N 3.47Å; M355-F359 HydrophobicContact SD-CZ 4.4Å; M355-F577 HydrophobicContact CE-CB 3.85Å; M355-F577 HydrophobicContact CE-CD1 3.33Å; M355-F577 HydrophobicContact CE-CD2 3.25Å; M355-F577 HydrophobicContact CE-CE1 3.47Å; M355-F577 VanDerWaalsContact CE-CE1 3.47Å; M355-F577 HydrophobicContact CE-CE2 3.42Å; M355-F577 VanDerWaalsContact CE-CE2 3.42Å; M355-F577 HydrophobicContact CE-CG 3.19Å; M355-F577 HydrophobicContact CE-CZ 3.52Å
356	M	89.7	Confident	90.7	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.025	18%	0.175	C	C	.	.	H	α-helix	trans	-64.4	-45	175.4	-66.3	178.6	78.2	0	0	112.4	I106 P352 R353 Y354 L358 F359 K360 Y570 L573 F577	I106-M356 HydrophobicContact CD1-SD 3.49Å; I106-M356 WeakPolarHBondContact CD1-SD 3.46Å; I106-M356 HydrophobicContact CG1-SD 4.05Å; P352-M356 WeakPolarHBondContact O-CG 3.28Å; P352-M356 PolarHBondContact O-N 3.36Å; R353-M356 PolarHBondContact O-N 3.11Å; Y354-M356 PolarHBondContact O-N 2.83Å; M356-L358 VanDerWaalsContact C-N 3.32Å; M356-F359 PolarHBondContact O-N 2.96Å; M356-K360 PolarHBondContact O-N 3.05Å; M356-Y570 HydrophobicContact CE-CD1 3.17Å; M356-Y570 HydrophobicContact CE-CE1 3.65Å; M356-Y570 HydrophobicContact CE-CG 3.86Å; M356-Y570 HydrophobicContact SD-CD1 3.92Å; M356-Y570 HydrophobicContact SD-CE1 4.07Å; M356-L573 HydrophobicContact CB-CD1 4.3Å; M356-L573 HydrophobicContact CE-CB 3.58Å; M356-L573 HydrophobicContact CE-CD1 3.52Å; M356-L573 HydrophobicContact CE-CG 4.18Å; M356-L573 HydrophobicContact CG-CB 4.21Å; M356-F577 HydrophobicContact CG-CE1 3.77Å; M356-F577 HydrophobicContact CG-CZ 3.79Å; M356-F577 HydrophobicContact SD-CZ 4.49Å
357	E	90.3	Very high	91.2	Very high	67 Å²	67	38.6 Å²	38.6	31%	0.313	17%	0.17	S	C	.	.	H	α-helix	trans	-64.7	-38.5	175.7	-66.5	-52	135.9	0	0	111.5	R353 Y354 F359 K360 L361 L445	R353-E357 PolarHBondContact O-N 2.95Å; R353-E357 VanDerWaalsContact O-N 3.09Å; Y354-E357 PolarHBondContact O-N 3.19Å; E357-F359 VanDerWaalsContact C-N 3.34Å; E357-F359 PolarHBondContact O-N 3.46Å; E357-K360 PolarHBondContact O-N 3.22Å; E357-K360 IonicContact OE1-NZ 3.68Å; E357-K360 PolarHBondContact OE1-NZ 3Å; E357-K360 IonicContact OE2-NZ 2.85Å; E357-L361 WeakPolarHBondContact O-CG 3.39Å; E357-L361 PolarHBondContact O-N 3.29Å; E357-L445 HydrophobicContact CB-CD2 3.63Å
358	L	92.3	Very high	91.6	Very high	8 Å²	8	39.1 Å²	39.1	4%	0.042	18%	0.175	C	C	.	.	H	α-helix	trans	-59.7	-42.5	174.1	-179.1	63.5	0	0	0	111.7	Y354 M355 M356 K360 L361 Q362 L446 A449 L468	Y354-L358 WeakPolarHBondContact O-CB 3.3Å; Y354-L358 PolarHBondContact O-N 2.89Å; M355-L358 PolarHBondContact O-N 3.49Å; M356-L358 VanDerWaalsContact C-N 3.32Å; L358-K360 VanDerWaalsContact C-N 3.35Å; L358-K360 PolarHBondContact O-N 3.16Å; L358-L361 PolarHBondContact O-N 3.48Å; L358-Q362 HydrophobicContact CD1-CG 4.25Å; L358-Q362 HydrophobicContact CG-CG 4.34Å; L358-Q362 WeakPolarHBondContact O-CB 3.5Å; L358-Q362 VanDerWaalsContact O-CG 3.26Å; L358-Q362 WeakPolarHBondContact O-CG 3.26Å; L358-Q362 PolarHBondContact O-N 2.89Å; L358-L446 HydrophobicContact CD1-CD2 3.82Å; L358-A449 HydrophobicContact CD2-CB 4.38Å; L358-L468 HydrophobicContact CD1-CD1 4.13Å; L358-L468 HydrophobicContact CD2-CD1 3.72Å
359	F	92.7	Very high	92	Very high	24 Å²	24	38 Å²	38	11%	0.105	17%	0.169	C	C	.	.	H	α-helix	trans	-63.6	-38.5	176.6	-67.7	-41.7	0	0	0	113	M355 M356 E357 Q362 C363 V561 L564 L573 L576 F577	M355-F359 HydrophobicContact CE-CE2 4.37Å; M355-F359 HydrophobicContact CG-CD2 4.45Å; M355-F359 HydrophobicContact CG-CE2 3.73Å; M355-F359 HydrophobicContact CG-CZ 3.83Å; M355-F359 VanDerWaalsContact O-CD2 3.23Å; M355-F359 WeakPolarHBondContact O-CD2 3.47Å; M355-F359 WeakPolarHBondContact O-CG 3.44Å; M355-F359 PolarHBondContact O-N 3.47Å; M355-F359 HydrophobicContact SD-CZ 4.4Å; M356-F359 PolarHBondContact O-N 2.96Å; E357-F359 VanDerWaalsContact C-N 3.34Å; E357-F359 PolarHBondContact O-N 3.46Å; F359-Q362 PolarHBondContact O-N 3.43Å; F359-C363 WeakPolarHBondContact O-CB 3.44Å; F359-C363 PolarHBondContact O-N 2.93Å; F359-V561 HydrophobicContact CB-CG2 4.42Å; F359-V561 HydrophobicContact CD1-CG2 4.46Å; F359-V561 WeakPolarHBondContact O-CG2 3.44Å; F359-L564 HydrophobicContact CB-CD1 4.11Å; F359-L573 HydrophobicContact CB-CD2 3.96Å; F359-L576 HydrophobicContact CB-CD1 4.12Å; F359-L576 HydrophobicContact CD1-CD1 4.34Å; F359-L576 HydrophobicContact CD2-CB 3.93Å; F359-L576 HydrophobicContact CD2-CD1 4.18Å; F359-L576 HydrophobicContact CE1-CB 4.33Å; F359-L576 HydrophobicContact CE2-CB 3.69Å; F359-L576 HydrophobicContact CG-CB 4.36Å; F359-L576 HydrophobicContact CG-CD1 3.98Å; F359-L576 HydrophobicContact CZ-CB 3.91Å; F359-L576 WeakPolarHBondContact CZ-O 3.45Å; F359-F577 HydrophobicContact CD2-CE1 4.43Å; F359-F577 AromaticContact CE2-CD1 3.73Å; F359-F577 HydrophobicContact CE2-CD1 3.73Å; F359-F577 AromaticContact CE2-CE1 3.93Å; F359-F577 HydrophobicContact CE2-CE1 3.93Å
360	K	91.7	Very high	92.2	Very high	85 Å²	85	38.5 Å²	38.5	37%	0.37	17%	0.167	S	C	.	.	H	α-helix	trans	-63.1	-46.2	175	-66.9	174.6	-174.1	167.7	0	111.2	M356 E357 L358 C363 L364 L573	M356-K360 PolarHBondContact O-N 3.05Å; E357-K360 PolarHBondContact O-N 3.22Å; E357-K360 IonicContact OE1-NZ 3.68Å; E357-K360 PolarHBondContact OE1-NZ 3Å; E357-K360 IonicContact OE2-NZ 2.85Å; L358-K360 VanDerWaalsContact C-N 3.35Å; L358-K360 PolarHBondContact O-N 3.16Å; K360-C363 WeakPolarHBondContact O-CB 3.35Å; K360-C363 PolarHBondContact O-N 3.06Å; K360-L364 WeakPolarHBondContact O-CB 3.47Å; K360-L364 PolarHBondContact O-N 2.74Å; K360-L573 HydrophobicContact CG-CD1 4.46Å; K360-L573 HydrophobicContact CG-CD2 4.25Å
361	L	92.7	Very high	92.5	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.026	20%	0.196	C	C	.	.	H	α-helix	trans	-63.3	-45.3	177.1	-69.3	176.4	0	0	0	111.7	E357 L358 C363 L364 W365 N442 L445	E357-L361 WeakPolarHBondContact O-CG 3.39Å; E357-L361 PolarHBondContact O-N 3.29Å; L358-L361 PolarHBondContact O-N 3.48Å; L361-C363 VanDerWaalsContact C-N 3.34Å; L361-C363 PolarHBondContact O-N 2.96Å; L361-L364 PolarHBondContact O-N 3.31Å; L361-W365 HydrophobicContact CB-CD2 4.21Å; L361-W365 HydrophobicContact CB-CE3 4.14Å; L361-W365 HydrophobicContact CB-CH2 3.75Å; L361-W365 HydrophobicContact CB-CZ2 3.84Å; L361-W365 HydrophobicContact CB-CZ3 3.92Å; L361-W365 HydrophobicContact CD1-CH2 3.79Å; L361-W365 HydrophobicContact CD1-CZ2 3.97Å; L361-W365 HydrophobicContact CD2-CH2 4.47Å; L361-W365 HydrophobicContact CD2-CZ2 3.87Å; L361-W365 HydrophobicContact CG-CH2 4.22Å; L361-W365 HydrophobicContact CG-CZ2 4.11Å; L361-W365 WeakPolarHBondContact O-CB 3.49Å; L361-W365 VanDerWaalsContact O-CD2 3.3Å; L361-W365 PolarHBondContact O-N 3.5Å; L361-N442 HydrophobicContact CD1-CB 4.1Å; L361-L445 HydrophobicContact CD1-CD2 3.96Å
362	Q	94.2	Very high	92.8	Very high	17 Å²	17	40.4 Å²	40.4	8%	0.079	18%	0.178	C	C	.	.	H	α-helix	trans	-58.1	-45.7	175.3	-76.2	177.1	-19.1	0	0	111.3	L358 F359 W365 R366 L468 V469 V561	L358-Q362 HydrophobicContact CD1-CG 4.25Å; L358-Q362 HydrophobicContact CG-CG 4.34Å; L358-Q362 WeakPolarHBondContact O-CB 3.5Å; L358-Q362 VanDerWaalsContact O-CG 3.26Å; L358-Q362 WeakPolarHBondContact O-CG 3.26Å; L358-Q362 PolarHBondContact O-N 2.89Å; F359-Q362 PolarHBondContact O-N 3.43Å; Q362-W365 PolarHBondContact O-N 3.04Å; Q362-R366 WeakPolarHBondContact O-CB 3.26Å; Q362-R366 WeakPolarHBondContact O-CG 3.39Å; Q362-R366 PolarHBondContact O-N 2.9Å; Q362-L468 PolarHBondContact NE2-O 2.99Å; Q362-V469 WeakPolarHBondContact CG-O 3.37Å; Q362-V561 HydrophobicContact CB-CG2 4.03Å
363	C	93.8	Very high	93	Very high	9 Å²	9	47 Å²	47	6%	0.061	21%	0.212	C	C	.	.	H	α-helix	trans	-57.8	-51.1	175.5	-175.5	0	0	0	0	111.5	F359 K360 L361 W365 R366 Q367 V561 L564	F359-C363 WeakPolarHBondContact O-CB 3.44Å; F359-C363 PolarHBondContact O-N 2.93Å; K360-C363 WeakPolarHBondContact O-CB 3.35Å; K360-C363 PolarHBondContact O-N 3.06Å; L361-C363 VanDerWaalsContact C-N 3.34Å; L361-C363 PolarHBondContact O-N 2.96Å; C363-W365 PolarHBondContact O-N 2.92Å; C363-R366 PolarHBondContact O-N 2.92Å; C363-Q367 VanDerWaalsContact O-CG 3.29Å; C363-Q367 WeakPolarHBondContact O-CG 3.38Å; C363-Q367 PolarHBondContact O-N 2.99Å; C363-Q367 PolarHBondContact SG-NE2 2.97Å; C363-Q367 VanDerWaalsContact SG-NE2 3.35Å; C363-V561 HydrophobicContact CB-CG2 4.29Å; C363-V561 VanDerWaalsContact CB-O 3.31Å; C363-V561 WeakPolarHBondContact CB-O 3.39Å; C363-V561 PolarHBondContact SG-O 3.37Å; C363-L564 HydrophobicContact CB-CB 4.22Å; C363-L564 HydrophobicContact CB-CD1 4.12Å
364	L	93.7	Very high	93.4	Very high	48 Å²	48	44.9 Å²	44.9	25%	0.251	21%	0.211	S	C	.	.	H	α-helix	trans	-59.1	-47.4	179.8	177.4	64.1	0	0	0	112.1	K360 L361 Q367 D368 P435 E436	K360-L364 WeakPolarHBondContact O-CB 3.47Å; K360-L364 PolarHBondContact O-N 2.74Å; L361-L364 PolarHBondContact O-N 3.31Å; L364-Q367 WeakPolarHBondContact O-CB 3.29Å; L364-Q367 PolarHBondContact O-N 3.47Å; L364-D368 PolarHBondContact O-N 2.99Å; L364-P435 HydrophobicContact CD1-CG 4.36Å; L364-P435 HydrophobicContact CD2-CB 4.32Å; L364-P435 HydrophobicContact CD2-CG 4.04Å; L364-P435 HydrophobicContact CG-CG 3.92Å; L364-E436 HydrophobicContact CD2-CB 4.39Å; L364-E436 HydrophobicContact CD2-CG 3.89Å
365	W	95.3	Very high	93.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-72.1	-34.2	-177.6	-63.2	-21.6	0	0	0	112.9	L361 Q362 C363 Q367 D368 L369 L434 P435 L446 V469 F470	L361-W365 HydrophobicContact CB-CD2 4.21Å; L361-W365 HydrophobicContact CB-CE3 4.14Å; L361-W365 HydrophobicContact CB-CH2 3.75Å; L361-W365 HydrophobicContact CB-CZ2 3.84Å; L361-W365 HydrophobicContact CB-CZ3 3.92Å; L361-W365 HydrophobicContact CD1-CH2 3.79Å; L361-W365 HydrophobicContact CD1-CZ2 3.97Å; L361-W365 HydrophobicContact CD2-CH2 4.47Å; L361-W365 HydrophobicContact CD2-CZ2 3.87Å; L361-W365 HydrophobicContact CG-CH2 4.22Å; L361-W365 HydrophobicContact CG-CZ2 4.11Å; L361-W365 WeakPolarHBondContact O-CB 3.49Å; L361-W365 VanDerWaalsContact O-CD2 3.3Å; L361-W365 PolarHBondContact O-N 3.5Å; Q362-W365 PolarHBondContact O-N 3.04Å; C363-W365 PolarHBondContact O-N 2.92Å; W365-Q367 VanDerWaalsContact C-N 3.35Å; W365-D368 PolarHBondContact O-N 3.03Å; W365-L369 WeakPolarHBondContact O-CB 3.48Å; W365-L369 PolarHBondContact O-N 3.33Å; W365-L434 HydrophobicContact CB-CD2 3.92Å; W365-L434 HydrophobicContact CD2-CB 4.5Å; W365-L434 HydrophobicContact CD2-CD1 3.83Å; W365-L434 HydrophobicContact CD2-CD2 4.47Å; W365-L434 HydrophobicContact CD2-CG 4.5Å; W365-L434 HydrophobicContact CE3-CD1 4.14Å; W365-L434 HydrophobicContact CG-CB 4.33Å; W365-L434 HydrophobicContact CG-CD1 4.08Å; W365-L434 HydrophobicContact CG-CD2 3.84Å; W365-L434 HydrophobicContact CG-CG 4.31Å; W365-L434 HydrophobicContact CZ2-CD1 4.49Å; W365-P435 PolarHBondContact NE1-O 2.81Å; W365-L446 HydrophobicContact CH2-CD1 3.4Å; W365-L446 HydrophobicContact CH2-CD2 3.74Å; W365-L446 HydrophobicContact CH2-CG 3.93Å; W365-L446 HydrophobicContact CZ2-CD1 4.3Å; W365-L446 HydrophobicContact CZ3-CD1 4.06Å; W365-L446 HydrophobicContact CZ3-CD2 3.74Å; W365-L446 HydrophobicContact CZ3-CG 4.41Å; W365-V469 HydrophobicContact CE3-CB 4.48Å; W365-V469 HydrophobicContact CE3-CG1 3.71Å; W365-V469 HydrophobicContact CZ3-CG1 4.12Å; W365-F470 HydrophobicContact CB-CE1 4.18Å
366	R	95.6	Very high	93.9	Very high	7 Å²	7	41.6 Å²	41.6	3%	0.026	20%	0.198	C	C	.	.	H	α-helix	trans	-64.7	-40.4	170.6	-73.4	-177.4	166.4	-137.8	-0.6	111.3	Q362 C363 L369 R370 F470 T554 C559 D562	Q362-R366 WeakPolarHBondContact O-CB 3.26Å; Q362-R366 WeakPolarHBondContact O-CG 3.39Å; Q362-R366 PolarHBondContact O-N 2.9Å; C363-R366 PolarHBondContact O-N 2.92Å; R366-L369 PolarHBondContact O-N 2.88Å; R366-R370 WeakPolarHBondContact O-CG 3.35Å; R366-R370 PolarHBondContact O-N 2.97Å; R366-R370 VanDerWaalsContact O-N 3.12Å; R366-R370 PolarHBondContact O-NH1 3.12Å; R366-F470 HydrophobicContact CG-CD1 4.22Å; R366-F470 PolarHBondContact NE-O 3.2Å; R366-F470 PolarHBondContact NH2-O 3.41Å; R366-T554 HydrophobicContact CB-CG2 4.37Å; R366-T554 HydrophobicContact CG-CG2 3.69Å; R366-C559 PolarHBondContact NH1-SG 3.02Å; R366-D562 WeakPolarHBondContact CB-OD1 3Å; R366-D562 WeakPolarHBondContact CD-OD1 3.4Å; R366-D562 IonicContact CZ-OD2 2.72Å; R366-D562 IonicContact NH1-OD1 3.98Å; R366-D562 IonicContact NH1-OD2 3.56Å; R366-D562 PolarHBondContact NH1-OD2 3.37Å
367	Q	95.2	Very high	94.2	Very high	69 Å²	69	43.3 Å²	43.3	32%	0.322	21%	0.206	S	C	.	.	H	α-helix	trans	-64.2	-42.2	172.6	-71.4	176.5	14.6	0	0	112.1	C363 L364 W365 R370 K371	C363-Q367 VanDerWaalsContact O-CG 3.29Å; C363-Q367 WeakPolarHBondContact O-CG 3.38Å; C363-Q367 PolarHBondContact O-N 2.99Å; C363-Q367 PolarHBondContact SG-NE2 2.97Å; C363-Q367 VanDerWaalsContact SG-NE2 3.35Å; L364-Q367 WeakPolarHBondContact O-CB 3.29Å; L364-Q367 PolarHBondContact O-N 3.47Å; W365-Q367 VanDerWaalsContact C-N 3.35Å; Q367-R370 PolarHBondContact O-N 2.92Å; Q367-K371 WeakPolarHBondContact O-CG 3.47Å; Q367-K371 PolarHBondContact O-N 2.83Å
368	D	95.7	Very high	94.4	Very high	41 Å²	41	40.9 Å²	40.9	22%	0.219	20%	0.198	C	C	.	.	H	α-helix	trans	-61.7	-45.8	175.2	-176.1	74.1	0	0	0	111.9	L364 W365 R370 K371 R372 P435	L364-D368 PolarHBondContact O-N 2.99Å; W365-D368 PolarHBondContact O-N 3.03Å; D368-R370 VanDerWaalsContact C-N 3.31Å; D368-R370 PolarHBondContact O-N 3.22Å; D368-K371 WeakPolarHBondContact O-CB 3.12Å; D368-K371 PolarHBondContact O-N 3.43Å; D368-K371 VanDerWaalsContact O-N 3.09Å; D368-R372 IonicContact OD2-CZ 3Å; D368-R372 IonicContact OD2-NE 3.33Å; D368-R372 PolarHBondContact OD2-NE 3.04Å; D368-R372 IonicContact OD2-NH2 2.76Å; D368-R372 PolarHBondContact OD2-NH2 3.45Å; D368-P435 HydrophobicContact CB-CG 4.07Å
369	L	96.4	Very high	94.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-55.3	-46.8	176.7	-179.4	67	0	0	0	111.2	W365 R366 K371 R372 P375 A378 Y379 F432 F470 T554	W365-L369 WeakPolarHBondContact O-CB 3.48Å; W365-L369 PolarHBondContact O-N 3.33Å; R366-L369 PolarHBondContact O-N 2.88Å; L369-K371 PolarHBondContact O-N 2.86Å; L369-R372 WeakPolarHBondContact O-CB 3.41Å; L369-R372 WeakPolarHBondContact O-CG 3.49Å; L369-R372 PolarHBondContact O-N 3.14Å; L369-R372 VanDerWaalsContact O-N 3.13Å; L369-P375 WeakPolarHBondContact CD1-O 3.46Å; L369-P375 HydrophobicContact CG-CB 4.38Å; L369-P375 WeakPolarHBondContact O-CB 3Å; L369-A378 HydrophobicContact CD1-CB 3.97Å; L369-Y379 HydrophobicContact CD2-CD2 3.89Å; L369-F432 HydrophobicContact CD1-CE1 4.22Å; L369-F432 HydrophobicContact CD1-CZ 3.9Å; L369-F470 HydrophobicContact CB-CE1 4.14Å; L369-F470 HydrophobicContact CD2-CD1 4.18Å; L369-F470 HydrophobicContact CD2-CE1 4Å; L369-F470 HydrophobicContact CD2-CZ 4.41Å; L369-T554 HydrophobicContact CD2-CG2 3.9Å
370	R	95	Very high	94.7	Very high	68 Å²	68	39.5 Å²	39.5	26%	0.257	19%	0.192	S	C	.	.	H	α-helix	trans	-64.5	-23.8	179.3	-75.1	-172.1	-68.9	-89.6	5.6	114.2	R366 Q367 D368 R372 T554 T555 D562	R366-R370 WeakPolarHBondContact O-CG 3.35Å; R366-R370 PolarHBondContact O-N 2.97Å; R366-R370 VanDerWaalsContact O-N 3.12Å; R366-R370 PolarHBondContact O-NH1 3.12Å; Q367-R370 PolarHBondContact O-N 2.92Å; D368-R370 VanDerWaalsContact C-N 3.31Å; D368-R370 PolarHBondContact O-N 3.22Å; R370-R372 VanDerWaalsContact C-N 3.27Å; R370-T554 PolarHBondContact NH1-O 2.82Å; R370-T555 WeakPolarHBondContact CD-O 3.33Å; R370-T555 VanDerWaalsContact CG-O 3.31Å; R370-T555 WeakPolarHBondContact CG-O 3.28Å; R370-D562 IonicContact CZ-OD1 3.96Å; R370-D562 VanDerWaalsContact CZ-OD1 3.24Å; R370-D562 IonicContact NH1-OD1 2.89Å; R370-D562 PolarHBondContact NH1-OD1 3.46Å; R370-D562 IonicContact NH1-OD2 3.19Å; R370-D562 IonicContact NH2-OD1 3.74Å; R370-D562 PolarHBondContact NH2-OD1 2.94Å
371	K	95.3	Very high	94.9	Very high	158 Å²	158	38.5 Å²	38.5	69%	0.687	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-11.1	176.2	-69.2	170	-173.5	173.5	0	113.1	Q367 D368 L369	Q367-K371 WeakPolarHBondContact O-CG 3.47Å; Q367-K371 PolarHBondContact O-N 2.83Å; D368-K371 WeakPolarHBondContact O-CB 3.12Å; D368-K371 PolarHBondContact O-N 3.43Å; D368-K371 VanDerWaalsContact O-N 3.09Å; L369-K371 PolarHBondContact O-N 2.86Å
372	R	95	Very high	95	Very high	64 Å²	64	38.3 Å²	38.3	24%	0.242	19%	0.189	C	C	.	.	S	Bend	trans	-76.6	149.5	179.6	-56.5	-177.4	-175.3	-152.1	-4.5	110.3	D368 L369 R370 S374 P375 F432	D368-R372 IonicContact OD2-CZ 3Å; D368-R372 IonicContact OD2-NE 3.33Å; D368-R372 PolarHBondContact OD2-NE 3.04Å; D368-R372 IonicContact OD2-NH2 2.76Å; D368-R372 PolarHBondContact OD2-NH2 3.45Å; L369-R372 WeakPolarHBondContact O-CB 3.41Å; L369-R372 WeakPolarHBondContact O-CG 3.49Å; L369-R372 PolarHBondContact O-N 3.14Å; L369-R372 VanDerWaalsContact O-N 3.13Å; R370-R372 VanDerWaalsContact C-N 3.27Å; R372-S374 PolarHBondContact O-N 2.89Å; R372-P375 WeakPolarHBondContact O-CD 3.46Å; R372-F432 PolarHBondContact NH1-O 2.82Å; R372-F432 VanDerWaalsContact NH1-O 3.16Å; R372-F432 PolarHBondContact NH2-O 3.42Å
373	N	92	Very high	94.9	Very high	146 Å²	146	37.7 Å²	37.7	78%	0.781	19%	0.186	S	C	*	.	S	Bend	trans	-58.1	-34.7	-178.8	-66.5	-5	0	0	0	113.5	N518	N373-N518 PolarHBondContact O-ND2 3.26Å
374	S	94.3	Very high	94.9	Very high	44 Å²	44	38.2 Å²	38.2	31%	0.308	19%	0.189	S	C	.	.	S	Bend	trans	-133.8	76.5	-176.2	-66.6	0	0	0	0	108.8	R372 E377 A378	R372-S374 PolarHBondContact O-N 2.89Å; S374-E377 VanDerWaalsContact CB-OE2 3.28Å; S374-E377 WeakPolarHBondContact CB-OE2 3.32Å; S374-E377 PolarHBondContact O-N 3.22Å; S374-A378 VanDerWaalsContact O-CB 3.26Å; S374-A378 WeakPolarHBondContact O-CB 3.23Å; S374-A378 PolarHBondContact O-N 3.35Å
375	P	95.9	Very high	94.9	Very high	8 Å²	8	38.7 Å²	38.7	5%	0.052	19%	0.187	C	C	.	.	H	α-helix	trans	-66.6	-40.1	-169.7	25.5	-34.4	0	0	0	112.6	L369 R372 A378 Y379 T555	L369-P375 WeakPolarHBondContact CD1-O 3.46Å; L369-P375 HydrophobicContact CG-CB 4.38Å; L369-P375 WeakPolarHBondContact O-CB 3Å; R372-P375 WeakPolarHBondContact O-CD 3.46Å; P375-A378 PolarHBondContact O-N 3.09Å; P375-Y379 PolarHBondContact O-N 3.42Å; P375-T555 HydrophobicContact CB-CG2 3.82Å; P375-T555 HydrophobicContact CG-CG2 3.36Å
376	I	96	Very high	94.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.2	-50	177.3	-63.3	175.8	0	0	0	109.5	A378 Y379 L380 I519 Y548 A551 V552 T555	I376-A378 VanDerWaalsContact C-N 3.32Å; I376-A378 PolarHBondContact O-N 2.8Å; I376-Y379 WeakPolarHBondContact O-CB 3.3Å; I376-Y379 PolarHBondContact O-N 3.38Å; I376-L380 HydrophobicContact CG2-CD1 3.76Å; I376-L380 HydrophobicContact CG2-CG 4.31Å; I376-L380 VanDerWaalsContact O-CG 3.25Å; I376-L380 WeakPolarHBondContact O-CG 3.32Å; I376-L380 PolarHBondContact O-N 2.99Å; I376-I519 HydrophobicContact CD1-CB 4.46Å; I376-I519 HydrophobicContact CD1-CG2 4.31Å; I376-Y548 HydrophobicContact CG2-CD2 4.36Å; I376-Y548 HydrophobicContact CG2-CE2 4.08Å; I376-A551 HydrophobicContact CG2-CB 4Å; I376-V552 HydrophobicContact CD1-CB 4.48Å; I376-V552 HydrophobicContact CD1-CG2 3.74Å; I376-V552 HydrophobicContact CG1-CG2 4.48Å; I376-T555 HydrophobicContact CG1-CG2 4.37Å
377	E	94.8	Very high	94.6	Very high	41 Å²	41	38.6 Å²	38.6	19%	0.192	19%	0.187	C	C	.	.	H	α-helix	trans	-66.2	-35.1	-179.9	-62	92.4	144.1	0	0	112.1	S374 L380 N381 H521	S374-E377 VanDerWaalsContact CB-OE2 3.28Å; S374-E377 WeakPolarHBondContact CB-OE2 3.32Å; S374-E377 PolarHBondContact O-N 3.22Å; E377-L380 PolarHBondContact O-N 3.49Å; E377-N381 VanDerWaalsContact O-CB 3.23Å; E377-N381 WeakPolarHBondContact O-CB 3.45Å; E377-N381 PolarHBondContact O-N 3.05Å; E377-N381 PolarHBondContact O-ND2 3.49Å; E377-N381 VanDerWaalsContact O-ND2 3.09Å; E377-H521 IonicContact OE1-NE2 3.24Å; E377-H521 PolarHBondContact OE1-NE2 2.85Å
378	A	95.8	Very high	94.4	Very high	16 Å²	16	39.4 Å²	39.4	13%	0.132	19%	0.194	C	C	.	.	H	α-helix	trans	-58.2	-52.8	172.1	0	0	0	0	0	110.2	L369 S374 P375 I376 L380 N381 L382 F432	L369-A378 HydrophobicContact CD1-CB 3.97Å; S374-A378 VanDerWaalsContact O-CB 3.26Å; S374-A378 WeakPolarHBondContact O-CB 3.23Å; S374-A378 PolarHBondContact O-N 3.35Å; P375-A378 PolarHBondContact O-N 3.09Å; I376-A378 VanDerWaalsContact C-N 3.32Å; I376-A378 PolarHBondContact O-N 2.8Å; A378-L380 VanDerWaalsContact C-N 3.33Å; A378-L380 PolarHBondContact O-N 3.19Å; A378-N381 PolarHBondContact O-N 3.11Å; A378-L382 PolarHBondContact O-N 2.61Å; A378-L382 VanDerWaalsContact O-N 3.12Å; A378-F432 HydrophobicContact CB-CE2 4.25Å; A378-F432 HydrophobicContact CB-CZ 4.02Å; A378-F432 WeakPolarHBondContact O-CE2 3.44Å
379	Y	95.8	Very high	94.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-54.8	-47.8	177	-176.7	-78.5	0	0	0	112.1	L369 P375 I376 N381 L382 H383 I466 F470 V547 Q550 A551	L369-Y379 HydrophobicContact CD2-CD2 3.89Å; P375-Y379 PolarHBondContact O-N 3.42Å; I376-Y379 WeakPolarHBondContact O-CB 3.3Å; I376-Y379 PolarHBondContact O-N 3.38Å; Y379-N381 PolarHBondContact O-N 2.98Å; Y379-L382 WeakPolarHBondContact O-CB 3.36Å; Y379-L382 PolarHBondContact O-N 3.49Å; Y379-H383 PolarHBondContact O-N 2.81Å; Y379-I466 HydrophobicContact CE1-CG2 3.7Å; Y379-I466 HydrophobicContact CE2-CG2 3.77Å; Y379-I466 WeakPolarHBondContact OH-CG2 3.19Å; Y379-F470 HydrophobicContact CD2-CB 4.44Å; Y379-F470 AromaticContact CD2-CD2 3.67Å; Y379-F470 HydrophobicContact CD2-CD2 3.67Å; Y379-F470 HydrophobicContact CD2-CE2 4.05Å; Y379-F470 HydrophobicContact CD2-CG 4.03Å; Y379-F470 HydrophobicContact CE2-CB 3.71Å; Y379-F470 AromaticContact CE2-CD2 3.5Å; Y379-F470 HydrophobicContact CE2-CD2 3.5Å; Y379-F470 HydrophobicContact CE2-CE2 4.33Å; Y379-F470 AromaticContact CE2-CG 3.75Å; Y379-F470 HydrophobicContact CE2-CG 3.75Å; Y379-V547 HydrophobicContact CE1-CG1 4.17Å; Y379-Q550 WeakPolarHBondContact OH-CG 3.49Å; Y379-Q550 PolarHBondContact OH-NE2 3.49Å; Y379-A551 HydrophobicContact CD1-CB 3.35Å; Y379-A551 HydrophobicContact CD2-CB 4.38Å; Y379-A551 HydrophobicContact CE1-CB 3.84Å; Y379-A551 HydrophobicContact CG-CB 3.65Å
380	L	94.9	Very high	93.9	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-68.6	-33.9	-179.3	-61	173.2	0	0	0	112.3	I376 E377 A378 L382 H383 L384 V529 F533 V547 Y548 A551	I376-L380 HydrophobicContact CG2-CD1 3.76Å; I376-L380 HydrophobicContact CG2-CG 4.31Å; I376-L380 VanDerWaalsContact O-CG 3.25Å; I376-L380 WeakPolarHBondContact O-CG 3.32Å; I376-L380 PolarHBondContact O-N 2.99Å; E377-L380 PolarHBondContact O-N 3.49Å; A378-L380 VanDerWaalsContact C-N 3.33Å; A378-L380 PolarHBondContact O-N 3.19Å; L380-L382 VanDerWaalsContact C-N 3.3Å; L380-L382 PolarHBondContact O-N 2.92Å; L380-H383 WeakPolarHBondContact O-CB 3.36Å; L380-H383 PolarHBondContact O-N 2.67Å; L380-L384 WeakPolarHBondContact O-CG 3.19Å; L380-L384 PolarHBondContact O-N 3.28Å; L380-V529 HydrophobicContact CD1-CG1 3.41Å; L380-V529 VanDerWaalsContact CD1-CG1 3.41Å; L380-F533 HydrophobicContact CB-CE2 4.17Å; L380-F533 HydrophobicContact CB-CZ 3.98Å; L380-F533 HydrophobicContact CD1-CE2 4.25Å; L380-F533 HydrophobicContact CD2-CE2 4Å; L380-F533 HydrophobicContact CD2-CZ 3.55Å; L380-F533 HydrophobicContact CG-CE2 4.35Å; L380-F533 HydrophobicContact CG-CZ 4.21Å; L380-V547 HydrophobicContact CD2-CG1 3.84Å; L380-Y548 HydrophobicContact CD1-CD2 3.91Å; L380-A551 HydrophobicContact CD2-CB 4.24Å; L380-A551 HydrophobicContact CG-CB 4.42Å
381	N	94.7	Very high	93.5	Very high	64 Å²	64	38.8 Å²	38.8	34%	0.342	19%	0.194	S	C	.	.	H	α-helix	trans	-66.2	-33.2	175.4	-72.5	-27.1	0	0	0	111.7	E377 A378 Y379 L384 Y385 W431	E377-N381 VanDerWaalsContact O-CB 3.23Å; E377-N381 WeakPolarHBondContact O-CB 3.45Å; E377-N381 PolarHBondContact O-N 3.05Å; E377-N381 PolarHBondContact O-ND2 3.49Å; E377-N381 VanDerWaalsContact O-ND2 3.09Å; A378-N381 PolarHBondContact O-N 3.11Å; Y379-N381 PolarHBondContact O-N 2.98Å; N381-L384 PolarHBondContact O-N 2.8Å; N381-Y385 WeakPolarHBondContact O-CB 3.15Å; N381-Y385 PolarHBondContact O-N 2.74Å; N381-W431 HydrophobicContact CB-CH2 4.12Å
382	L	95.4	Very high	93.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.6	-42.7	171.7	-175.5	57.8	0	0	0	111.7	A378 Y379 L380 L384 Y385 Y386 G428 W431 F432 I466 F470	A378-L382 PolarHBondContact O-N 2.61Å; A378-L382 VanDerWaalsContact O-N 3.12Å; Y379-L382 WeakPolarHBondContact O-CB 3.36Å; Y379-L382 PolarHBondContact O-N 3.49Å; L380-L382 VanDerWaalsContact C-N 3.3Å; L380-L382 PolarHBondContact O-N 2.92Å; L382-L384 VanDerWaalsContact C-N 3.35Å; L382-L384 PolarHBondContact O-N 3.16Å; L382-Y385 WeakPolarHBondContact O-CB 3.32Å; L382-Y385 PolarHBondContact O-N 3.44Å; L382-Y386 HydrophobicContact CD1-CD2 4.24Å; L382-Y386 HydrophobicContact CD1-CE2 3.66Å; L382-Y386 HydrophobicContact CD2-CE2 4.1Å; L382-Y386 HydrophobicContact CG-CD2 4.12Å; L382-Y386 HydrophobicContact CG-CE2 3.61Å; L382-Y386 VanDerWaalsContact O-CD2 3.28Å; L382-Y386 WeakPolarHBondContact O-CD2 3.42Å; L382-Y386 PolarHBondContact O-N 3.3Å; L382-Y386 VanDerWaalsContact O-N 3.07Å; L382-G428 WeakPolarHBondContact CD1-O 3.43Å; L382-W431 HydrophobicContact CB-CZ3 4.45Å; L382-W431 HydrophobicContact CD1-CE3 4.05Å; L382-W431 HydrophobicContact CD1-CZ3 4.14Å; L382-F432 HydrophobicContact CB-CD2 3.7Å; L382-F432 HydrophobicContact CB-CE2 3.72Å; L382-F432 HydrophobicContact CB-CG 4.41Å; L382-F432 HydrophobicContact CB-CZ 4.43Å; L382-F432 HydrophobicContact CD1-CB 3.95Å; L382-F432 HydrophobicContact CD1-CD2 3.94Å; L382-F432 HydrophobicContact CD1-CG 4.11Å; L382-F432 HydrophobicContact CD2-CB 4.35Å; L382-F432 HydrophobicContact CD2-CD1 4.17Å; L382-F432 HydrophobicContact CD2-CD2 4.05Å; L382-F432 HydrophobicContact CD2-CE1 4.5Å; L382-F432 HydrophobicContact CD2-CE2 4.4Å; L382-F432 HydrophobicContact CD2-CG 3.92Å; L382-F432 HydrophobicContact CG-CD2 4.09Å; L382-F432 HydrophobicContact CG-CG 4.36Å; L382-I466 HydrophobicContact CB-CD1 4.1Å; L382-I466 HydrophobicContact CD2-CD1 3.61Å; L382-I466 HydrophobicContact CG-CD1 3.61Å; L382-F470 HydrophobicContact CD2-CE2 3.89Å
383	H	93.1	Very high	92.7	Very high	5 Å²	5	35.3 Å²	35.3	2%	0.023	20%	0.196	C	C	.	.	H	α-helix	trans	-59.9	-45.8	175	-171.6	102.6	0	0	0	111.8	Y379 L380 Y386 R387 F462 I466 F533 V547	Y379-H383 PolarHBondContact O-N 2.81Å; L380-H383 WeakPolarHBondContact O-CB 3.36Å; L380-H383 PolarHBondContact O-N 2.67Å; H383-Y386 PolarHBondContact O-N 3.46Å; H383-R387 WeakPolarHBondContact O-CB 3.34Å; H383-R387 PolarHBondContact O-N 3.24Å; H383-F462 AromaticContact CD2-CE2 3.79Å; H383-F462 AromaticContact CE1-CD2 3.41Å; H383-F462 VanDerWaalsContact CE1-CD2 3.41Å; H383-F462 WeakPolarHBondContact CE1-CD2 3.24Å; H383-F462 AromaticContact CE1-CE2 3.18Å; H383-F462 WeakPolarHBondContact CE1-CE2 3.38Å; H383-F462 AromaticContact ND1-CD2 3.73Å; H383-F462 AromaticContact ND1-CE2 3.93Å; H383-F462 AromaticContact NE2-CD2 3.66Å; H383-F462 AromaticContact NE2-CE2 3.06Å; H383-F462 WeakPolarHBondContact NE2-CE2 3.41Å; H383-F462 AromaticContact NE2-CZ 3.97Å; H383-I466 HydrophobicContact CB-CD1 4.48Å; H383-I466 HydrophobicContact CB-CG1 4.43Å; H383-F533 AromaticContact CD2-CE1 3.44Å; H383-F533 VanDerWaalsContact CD2-CE1 3.44Å; H383-F533 WeakPolarHBondContact CD2-CE1 3.31Å; H383-F533 AromaticContact NE2-CE1 3.77Å; H383-V547 VanDerWaalsContact CE1-CG2 3.49Å; H383-V547 WeakPolarHBondContact CE1-CG2 3.37Å
384	L	92.4	Very high	92	Very high	20 Å²	20	30.9 Å²	30.9	11%	0.105	17%	0.169	C	C	.	.	H	α-helix	trans	-65.8	-35.8	175.7	-68.2	174.1	0	0	0	112.5	L380 N381 L382 R387 N388 K532 F533	L380-L384 WeakPolarHBondContact O-CG 3.19Å; L380-L384 PolarHBondContact O-N 3.28Å; N381-L384 PolarHBondContact O-N 2.8Å; L382-L384 VanDerWaalsContact C-N 3.35Å; L382-L384 PolarHBondContact O-N 3.16Å; L384-R387 PolarHBondContact O-N 2.67Å; L384-N388 WeakPolarHBondContact O-CB 3.32Å; L384-N388 PolarHBondContact O-N 3.36Å; L384-N388 PolarHBondContact O-ND2 2.86Å; L384-K532 HydrophobicContact CD1-CB 3.92Å; L384-K532 HydrophobicContact CD1-CD 3.97Å; L384-F533 HydrophobicContact CD2-CD1 4.49Å; L384-F533 HydrophobicContact CD2-CE1 4.4Å; L384-F533 HydrophobicContact CD2-CZ 4.44Å; L384-F533 HydrophobicContact CG-CZ 4.44Å
385	Y	95	Very high	90.9	Very high	58 Å²	58	37 Å²	37	23%	0.227	19%	0.193	C	C	.	.	H	α-helix	trans	-57.1	-54.2	173.9	177.9	-84	0	0	0	110.2	N381 L382 R387 N388 S389 W431	N381-Y385 WeakPolarHBondContact O-CB 3.15Å; N381-Y385 PolarHBondContact O-N 2.74Å; L382-Y385 WeakPolarHBondContact O-CB 3.32Å; L382-Y385 PolarHBondContact O-N 3.44Å; Y385-R387 VanDerWaalsContact C-N 3.34Å; Y385-R387 PolarHBondContact O-N 3.09Å; Y385-N388 PolarHBondContact O-N 2.86Å; Y385-S389 WeakPolarHBondContact O-CB 3.1Å; Y385-S389 PolarHBondContact O-N 3.4Å; Y385-S389 PolarHBondContact O-OG 3.34Å; Y385-S389 VanDerWaalsContact O-OG 3.07Å; Y385-W431 AromaticContact CD2-CD2 3.52Å; Y385-W431 HydrophobicContact CD2-CD2 3.52Å; Y385-W431 AromaticContact CD2-CE2 3.77Å; Y385-W431 AromaticContact CD2-CE3 3.8Å; Y385-W431 HydrophobicContact CD2-CE3 3.8Å; Y385-W431 AromaticContact CD2-CG 3.85Å; Y385-W431 HydrophobicContact CD2-CG 3.85Å; Y385-W431 HydrophobicContact CD2-CH2 4.49Å; Y385-W431 HydrophobicContact CD2-CZ2 4.26Å; Y385-W431 HydrophobicContact CD2-CZ3 4.28Å; Y385-W431 HydrophobicContact CE2-CB 3.97Å; Y385-W431 AromaticContact CE2-CD1 3.78Å; Y385-W431 AromaticContact CE2-CD2 3.79Å; Y385-W431 HydrophobicContact CE2-CD2 3.79Å; Y385-W431 HydrophobicContact CE2-CE3 4.39Å; Y385-W431 AromaticContact CE2-CG 3.56Å; Y385-W431 HydrophobicContact CE2-CG 3.56Å; Y385-W431 HydrophobicContact CG-CD2 4.1Å; Y385-W431 AromaticContact CG-CE3 3.88Å; Y385-W431 HydrophobicContact CG-CE3 3.88Å; Y385-W431 HydrophobicContact CG-CZ3 4.22Å
386	Y	93.8	Very high	89.7	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.5	-43	179.3	-70	-53.7	0	0	0	112.6	L382 H383 N388 S389 I390 I424 F425 L429 F462 Y465 I466	L382-Y386 HydrophobicContact CD1-CD2 4.24Å; L382-Y386 HydrophobicContact CD1-CE2 3.66Å; L382-Y386 HydrophobicContact CD2-CE2 4.1Å; L382-Y386 HydrophobicContact CG-CD2 4.12Å; L382-Y386 HydrophobicContact CG-CE2 3.61Å; L382-Y386 VanDerWaalsContact O-CD2 3.28Å; L382-Y386 WeakPolarHBondContact O-CD2 3.42Å; L382-Y386 PolarHBondContact O-N 3.3Å; L382-Y386 VanDerWaalsContact O-N 3.07Å; H383-Y386 PolarHBondContact O-N 3.46Å; Y386-N388 VanDerWaalsContact C-N 3.32Å; Y386-N388 PolarHBondContact O-N 2.63Å; Y386-S389 PolarHBondContact O-N 3.4Å; Y386-I390 WeakPolarHBondContact O-CG1 3.43Å; Y386-I390 PolarHBondContact O-N 2.8Å; Y386-I424 HydrophobicContact CD1-CG2 3.91Å; Y386-I424 WeakPolarHBondContact CE1-O 3.45Å; Y386-F425 PolarHBondContact OH-O 2.82Å; Y386-F425 VanDerWaalsContact OH-O 3.12Å; Y386-L429 VanDerWaalsContact OH-CD2 3.31Å; Y386-L429 WeakPolarHBondContact OH-CD2 3.21Å; Y386-L429 PolarHBondContact OH-N 2.83Å; Y386-F462 VanDerWaalsContact CB-CB 3.42Å; Y386-F462 HydrophobicContact CD2-CB 4.25Å; Y386-F462 HydrophobicContact CG-CB 4.08Å; Y386-Y465 AromaticContact CD1-CD2 3.78Å; Y386-Y465 HydrophobicContact CD1-CD2 3.78Å; Y386-Y465 HydrophobicContact CD1-CE2 4.16Å; Y386-Y465 HydrophobicContact CD2-CD2 4.02Å; Y386-Y465 AromaticContact CE1-CD2 3.9Å; Y386-Y465 HydrophobicContact CE1-CD2 3.9Å; Y386-Y465 HydrophobicContact CE1-CE2 4.49Å; Y386-Y465 HydrophobicContact CE2-CD2 4.13Å; Y386-Y465 AromaticContact CG-CD2 3.85Å; Y386-Y465 HydrophobicContact CG-CD2 3.85Å; Y386-Y465 HydrophobicContact CG-CE2 4.43Å; Y386-I466 HydrophobicContact CD2-CD1 3.91Å; Y386-I466 HydrophobicContact CD2-CG1 4.28Å; Y386-I466 HydrophobicContact CE2-CD1 3.77Å; Y386-I466 HydrophobicContact CE2-CG1 4.41Å
387	R	90.6	Very high	88.4	Confident	5 Å²	5	42 Å²	42	2%	0.019	22%	0.219	C	C	.	.	H	α-helix	trans	-58.4	-44.5	177.1	-172.9	174.5	-175	-175	-2.1	111.8	D196 H383 L384 Y385 I390 K391 F462 F533 H535 E544	D196-R387 IonicContact OD1-NE 3.81Å; D196-R387 WeakPolarHBondContact OD2-CD 3.47Å; D196-R387 WeakPolarHBondContact OD2-CG 3.5Å; D196-R387 IonicContact OD2-CZ 2.94Å; D196-R387 IonicContact OD2-NE 2.87Å; D196-R387 PolarHBondContact OD2-NE 2.78Å; D196-R387 IonicContact OD2-NH2 3.55Å; H383-R387 WeakPolarHBondContact O-CB 3.34Å; H383-R387 PolarHBondContact O-N 3.24Å; L384-R387 PolarHBondContact O-N 2.67Å; Y385-R387 VanDerWaalsContact C-N 3.34Å; Y385-R387 PolarHBondContact O-N 3.09Å; R387-I390 PolarHBondContact O-N 2.92Å; R387-K391 HydrophobicContact CG-CD 4.47Å; R387-K391 VanDerWaalsContact O-CG 3.3Å; R387-K391 WeakPolarHBondContact O-CG 3.42Å; R387-K391 PolarHBondContact O-N 3.36Å; R387-F462 HydrophobicContact CB-CD1 4.18Å; R387-F462 HydrophobicContact CB-CE1 3.76Å; R387-F462 HydrophobicContact CB-CZ 4.07Å; R387-F462 HydrophobicContact CG-CE1 3.84Å; R387-F462 HydrophobicContact CG-CZ 4.05Å; R387-F533 PolarHBondContact NH1-O 3.43Å; R387-F533 PolarHBondContact NH2-O 3.44Å; R387-F533 VanDerWaalsContact NH2-O 3.08Å; R387-H535 PolarHBondContact NH2-CD2 3.36Å; R387-H535 VanDerWaalsContact NH2-CD2 3.27Å; R387-H535 PolarHBondContact NH2-CE1 3.03Å; R387-H535 PolarHBondContact NH2-ND1 3.48Å; R387-H535 PolarHBondContact NH2-NE2 3.07Å; R387-E544 IonicContact CZ-OE1 3.46Å; R387-E544 IonicContact NH1-OE1 3.16Å; R387-E544 PolarHBondContact NH1-OE1 3.49Å; R387-E544 IonicContact NH2-OE1 3Å; R387-E544 PolarHBondContact NH2-OE1 2.86Å; R387-E544 VanDerWaalsContact NH2-OE1 3.13Å
388	N	91.1	Very high	86.8	Confident	86 Å²	86	40.9 Å²	40.9	46%	0.46	22%	0.219	S	C	.	.	H	α-helix	trans	-69.5	-39.4	177.7	-70.9	-20.8	0	0	0	112	L384 Y385 Y386 I390 K391 S392	L384-N388 WeakPolarHBondContact O-CB 3.32Å; L384-N388 PolarHBondContact O-N 3.36Å; L384-N388 PolarHBondContact O-ND2 2.86Å; Y385-N388 PolarHBondContact O-N 2.86Å; Y386-N388 VanDerWaalsContact C-N 3.32Å; Y386-N388 PolarHBondContact O-N 2.63Å; N388-I390 VanDerWaalsContact C-N 3.34Å; N388-I390 PolarHBondContact O-N 2.91Å; N388-K391 PolarHBondContact O-N 3.31Å; N388-S392 WeakPolarHBondContact O-CB 3.22Å; N388-S392 PolarHBondContact O-N 2.76Å; N388-S392 PolarHBondContact O-OG 2.64Å; N388-S392 VanDerWaalsContact O-OG 3.14Å
389	S	92.3	Very high	84.8	Confident	23 Å²	23	41.6 Å²	41.6	16%	0.161	23%	0.228	C	C	.	.	H	α-helix	trans	-60.9	-41.8	175	-65.8	0	0	0	0	111.8	Y385 Y386 N393	Y385-S389 WeakPolarHBondContact O-CB 3.1Å; Y385-S389 PolarHBondContact O-N 3.4Å; Y385-S389 PolarHBondContact O-OG 3.34Å; Y385-S389 VanDerWaalsContact O-OG 3.07Å; Y386-S389 PolarHBondContact O-N 3.4Å; S389-N393 WeakPolarHBondContact O-CB 3.49Å; S389-N393 PolarHBondContact O-N 2.96Å; S389-N393 VanDerWaalsContact O-N 3.14Å; S389-N393 PolarHBondContact O-ND2 3.11Å
390	I	88.8	Confident	82.3	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-63.2	-46.6	172.7	-71.7	-175.1	0	0	0	110.9	I197 Y386 R387 N388 S392 N393 K394 M397 I424 I459 F462	I197-I390 HydrophobicContact CG1-CG2 4.11Å; Y386-I390 WeakPolarHBondContact O-CG1 3.43Å; Y386-I390 PolarHBondContact O-N 2.8Å; R387-I390 PolarHBondContact O-N 2.92Å; N388-I390 VanDerWaalsContact C-N 3.34Å; N388-I390 PolarHBondContact O-N 2.91Å; I390-S392 PolarHBondContact O-N 2.78Å; I390-N393 CarbonylContact O-C 3.54Å; I390-N393 PolarHBondContact O-N 3.14Å; I390-K394 PolarHBondContact O-N 3.3Å; I390-K394 VanDerWaalsContact O-N 3.16Å; I390-M397 HydrophobicContact CB-CE 4.07Å; I390-M397 HydrophobicContact CD1-CE 4.46Å; I390-M397 HydrophobicContact CG1-CE 3.89Å; I390-M397 HydrophobicContact CG2-CE 3.65Å; I390-I424 HydrophobicContact CG1-CD1 4.23Å; I390-I424 HydrophobicContact CG1-CG2 4.48Å; I390-I459 HydrophobicContact CD1-CG2 4.46Å; I390-F462 HydrophobicContact CD1-CD1 3.86Å
391	K	86.1	Confident	79.9	Confident	72 Å²	72	52 Å²	52	31%	0.313	29%	0.291	S	S	.	.	H	α-helix	trans	-59.8	-44.9	179	-75.2	174.1	-178.9	174	0	112.5	D196 R387 N388 N393 K394	D196-K391 WeakPolarHBondContact OD1-CE 3.39Å; D196-K391 IonicContact OD1-NZ 2.72Å; D196-K391 PolarHBondContact OD1-NZ 3.38Å; R387-K391 HydrophobicContact CG-CD 4.47Å; R387-K391 VanDerWaalsContact O-CG 3.3Å; R387-K391 WeakPolarHBondContact O-CG 3.42Å; R387-K391 PolarHBondContact O-N 3.36Å; N388-K391 PolarHBondContact O-N 3.31Å; K391-N393 VanDerWaalsContact C-N 3.28Å; K391-N393 PolarHBondContact O-N 3.22Å; K391-K394 VanDerWaalsContact O-CB 3.3Å; K391-K394 WeakPolarHBondContact O-CB 3.02Å; K391-K394 WeakPolarHBondContact O-CD 3.02Å; K391-K394 VanDerWaalsContact O-CG 3.23Å; K391-K394 WeakPolarHBondContact O-CG 3.26Å; K391-K394 PolarHBondContact O-N 3.31Å
392	S	88.6	Confident	77.6	Confident	104 Å²	104	52.9 Å²	52.9	73%	0.727	30%	0.299	S	S	*	.	H	α-helix	trans	-66.6	-30.9	179.3	-65.8	0	0	0	0	112.5	N388 I390	N388-S392 WeakPolarHBondContact O-CB 3.22Å; N388-S392 PolarHBondContact O-N 2.76Å; N388-S392 PolarHBondContact O-OG 2.64Å; N388-S392 VanDerWaalsContact O-OG 3.14Å; I390-S392 PolarHBondContact O-N 2.78Å
393	N	85	Confident	75.4	Confident	45 Å²	45	61.5 Å²	61.5	24%	0.241	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	8.2	177	-71.4	-79.4	0	0	0	113.5	S389 I390 K391 Q395 L396 M397 L420 I424	S389-N393 WeakPolarHBondContact O-CB 3.49Å; S389-N393 PolarHBondContact O-N 2.96Å; S389-N393 VanDerWaalsContact O-N 3.14Å; S389-N393 PolarHBondContact O-ND2 3.11Å; I390-N393 CarbonylContact O-C 3.54Å; I390-N393 PolarHBondContact O-N 3.14Å; K391-N393 VanDerWaalsContact C-N 3.28Å; K391-N393 PolarHBondContact O-N 3.22Å; N393-Q395 PolarHBondContact O-N 2.89Å; N393-L396 PolarHBondContact O-N 3.33Å; N393-M397 HydrophobicContact CB-CG 3.99Å; N393-M397 WeakPolarHBondContact O-CB 3.47Å; N393-M397 WeakPolarHBondContact O-CG 3.43Å; N393-M397 PolarHBondContact O-N 3.44Å; N393-L420 HydrophobicContact CB-CD1 4.37Å; N393-L420 HydrophobicContact CB-CD2 4.17Å; N393-I424 HydrophobicContact CB-CD1 4.5Å
394	K	77.8	Confident	73.3	Confident	52 Å²	52	67.9 Å²	67.9	23%	0.226	37%	0.371	C	S	.	.	H	α-helix	trans	-49.6	-37.8	-176.7	-87.5	173.9	-173.1	-102	0	114.3	D195 D196 I390 K391 L396 M397 G398	D195-K394 PolarHBondContact O-NZ 3.11Å; D196-K394 WeakPolarHBondContact O-CE 3.22Å; D196-K394 PolarHBondContact O-NZ 3.36Å; I390-K394 PolarHBondContact O-N 3.3Å; I390-K394 VanDerWaalsContact O-N 3.16Å; K391-K394 VanDerWaalsContact O-CB 3.3Å; K391-K394 WeakPolarHBondContact O-CB 3.02Å; K391-K394 WeakPolarHBondContact O-CD 3.02Å; K391-K394 VanDerWaalsContact O-CG 3.23Å; K391-K394 WeakPolarHBondContact O-CG 3.26Å; K391-K394 PolarHBondContact O-N 3.31Å; K394-L396 VanDerWaalsContact C-N 3.35Å; K394-M397 PolarHBondContact O-N 2.88Å; K394-G398 PolarHBondContact O-N 2.99Å
395	Q	71.6	Confident	71.3	Confident	172 Å²	172	71.6 Å²	71.6	80%	0.804	39%	0.391	S	S	*	.	H	α-helix	trans	-69.8	-30.3	-179.8	-65.5	-177.3	2.7	0	0	113.5	N393	N393-Q395 PolarHBondContact O-N 2.89Å
396	L	70.2	Confident	69.6	Low	110 Å²	110	75.7 Å²	75.7	58%	0.576	42%	0.417	S	S	*	.	H	α-helix	trans	-81	-22.8	173.5	-68.9	160.6	0	0	0	111.3	N393 K394 L420	N393-L396 PolarHBondContact O-N 3.33Å; K394-L396 VanDerWaalsContact C-N 3.35Å; L396-L420 HydrophobicContact CB-CD2 3.96Å
397	M	68.2	Low	68.2	Low	3 Å²	3	83 Å²	83	2%	0.015	46%	0.456	C	S	.	.	H	α-helix	trans	-93.3	-48.1	-171.5	-67.3	-94	-87.9	0	0	113.2	I390 N393 K394 G399 K417 L420 I424 I459	I390-M397 HydrophobicContact CB-CE 4.07Å; I390-M397 HydrophobicContact CD1-CE 4.46Å; I390-M397 HydrophobicContact CG1-CE 3.89Å; I390-M397 HydrophobicContact CG2-CE 3.65Å; N393-M397 HydrophobicContact CB-CG 3.99Å; N393-M397 WeakPolarHBondContact O-CB 3.47Å; N393-M397 WeakPolarHBondContact O-CG 3.43Å; N393-M397 PolarHBondContact O-N 3.44Å; K394-M397 PolarHBondContact O-N 2.88Å; M397-G399 PolarHBondContact O-N 3.3Å; M397-K417 VanDerWaalsContact O-CE 3.3Å; M397-K417 WeakPolarHBondContact O-CE 3.31Å; M397-L420 HydrophobicContact CG-CD2 3.57Å; M397-L420 HydrophobicContact SD-CD2 3.42Å; M397-L420 WeakPolarHBondContact SD-CD2 3.2Å; M397-L420 HydrophobicContact SD-CG 3.93Å; M397-I424 HydrophobicContact CE-CD1 4.37Å; M397-I459 HydrophobicContact CB-CD1 3.55Å; M397-I459 HydrophobicContact CE-CB 4.18Å; M397-I459 HydrophobicContact CE-CD1 3.67Å; M397-I459 HydrophobicContact CE-CG1 3.86Å; M397-I459 HydrophobicContact CE-CG2 3.29Å; M397-I459 HydrophobicContact CG-CD1 4.03Å; M397-I459 HydrophobicContact SD-CB 4.43Å; M397-I459 HydrophobicContact SD-CD1 3.35Å; M397-I459 WeakPolarHBondContact SD-CD1 3.4Å; M397-I459 HydrophobicContact SD-CG1 3.52Å; M397-I459 VanDerWaalsContact SD-CG1 3.52Å; M397-I459 HydrophobicContact SD-CG2 4.09Å
398	G	61.2	Low	67.4	Low	19 Å²	19	86.5 Å²	86.5	20%	0.196	48%	0.475	C	S	.	.	S	Bend	trans	-76.1	112.6	169.6	0	0	0	0	0	107	K394 T400	K394-G398 PolarHBondContact O-N 2.99Å; G398-T400 PolarHBondContact O-N 3.09Å
399	G	54.3	Low	67	Low	31 Å²	31	85.2 Å²	85.2	32%	0.32	47%	0.472	S	S	.	.			trans	-36.5	125.3	-174.7	0	0	0	0	0	110.6	M397 T401	M397-G399 PolarHBondContact O-N 3.3Å; G399-T401 VanDerWaalsContact C-N 3.28Å; G399-T401 PolarHBondContact O-N 3.5Å
400	T	42.9	Very low	66.4	Low	83 Å²	83	93 Å²	93	51%	0.509	50%	0.503	S	S	.	.			trans	-52.3	97.3	179	26.3	0	0	0	0	108.3	G398 T402	G398-T400 PolarHBondContact O-N 3.09Å; T400-T402 PolarHBondContact O-N 2.8Å; T400-T402 VanDerWaalsContact O-N 3.09Å
401	T	45.4	Very low	66.2	Low	138 Å²	138	99.2 Å²	99.2	85%	0.847	53%	0.532	S	S	*	.			trans	-70.6	15.9	157	35.9	0	0	0	0	110.4	G399 K403	G399-T401 VanDerWaalsContact C-N 3.28Å; G399-T401 PolarHBondContact O-N 3.5Å; T401-K403 PolarHBondContact O-N 3.35Å
402	T	45.2	Very low	66.2	Low	83 Å²	83	99.4 Å²	99.4	51%	0.509	54%	0.537	S	S	.	.			trans	-63.5	94.1	153.4	-36.2	0	0	0	0	107	T400 N404 N405	T400-T402 PolarHBondContact O-N 2.8Å; T400-T402 VanDerWaalsContact O-N 3.09Å; T402-N404 HydrophobicContact CG2-CB 4.37Å; T402-N404 PolarHBondContact O-N 3.2Å; T402-N405 PolarHBondContact O-N 3.18Å
403	K	49.2	Very low	65.9	Low	182 Å²	182	97.9 Å²	97.9	79%	0.791	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.4	0.6	170.4	-76.7	176.6	168.7	179	0	116.7	T401	T401-K403 PolarHBondContact O-N 3.35Å
404	N	49.3	Very low	65.9	Low	139 Å²	139	98.3 Å²	98.3	74%	0.743	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-13.8	-175.6	-76.4	5.5	0	0	0	114.5	T402	T402-N404 HydrophobicContact CG2-CB 4.37Å; T402-N404 PolarHBondContact O-N 3.2Å
405	N	51.5	Low	66.4	Low	97 Å²	97	99.1 Å²	99.1	52%	0.519	53%	0.527	S	S	.	.			trans	-109.2	58.5	179.4	-75.7	2.5	0	0	0	111.8	T402 N407 L408	T402-N405 PolarHBondContact O-N 3.18Å; N405-N407 PolarHBondContact O-N 3.46Å; N405-L408 HydrophobicContact CB-CD1 3.76Å
406	N	57.8	Low	67.2	Low	144 Å²	144	94.5 Å²	94.5	77%	0.77	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	6.2	173.8	-71.4	-14.5	0	0	0	114.1
407	N	65.4	Low	68	Low	154 Å²	154	91.3 Å²	91.3	82%	0.824	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.5	-3	-170.6	-65.4	-5.4	0	0	0	114.9	N405 S409	N405-N407 PolarHBondContact O-N 3.46Å; N407-S409 PolarHBondContact O-N 2.85Å
408	L	73.4	Confident	69	Low	79 Å²	79	94.9 Å²	94.9	41%	0.414	50%	0.504	S	S	.	.			trans	-76.7	127.7	174.9	-88.4	96.3	0	0	0	110.1	N405 D412 I416	N405-L408 HydrophobicContact CB-CD1 3.76Å; L408-D412 HydrophobicContact CD2-CB 4.1Å; L408-I416 HydrophobicContact CD2-CD1 3.56Å
409	S	82.8	Confident	70.4	Confident	58 Å²	58	100.7 Å²	100.7	41%	0.406	53%	0.526	S	S	.	.			trans	-63.5	151	169.5	-179.1	0	0	0	0	109.7	N407 E411 D412 E413	N407-S409 PolarHBondContact O-N 2.85Å; S409-E411 PolarHBondContact O-N 3.33Å; S409-E411 VanDerWaalsContact O-N 3.16Å; S409-E411 PolarHBondContact OG-N 3.38Å; S409-D412 VanDerWaalsContact CB-OD2 3.31Å; S409-D412 WeakPolarHBondContact CB-OD2 3.46Å; S409-D412 PolarHBondContact N-OD2 2.9Å; S409-D412 PolarHBondContact O-N 3.02Å; S409-D412 VanDerWaalsContact O-N 3.07Å; S409-E413 PolarHBondContact O-N 2.91Å; S409-E413 VanDerWaalsContact O-N 3.09Å
410	K	80.6	Confident	72.1	Confident	186 Å²	186	100.3 Å²	100.3	81%	0.809	52%	0.516	S	S	*	.	H	α-helix	trans	-56	-30.5	171.1	-71	-177.7	177.1	179.5	0	111.9	L414	K410-L414 WeakPolarHBondContact O-CB 3.12Å; K410-L414 PolarHBondContact O-N 2.89Å; K410-L414 VanDerWaalsContact O-N 3.12Å
411	E	84.1	Confident	74.4	Confident	133 Å²	133	96.4 Å²	96.4	62%	0.621	49%	0.492	S	S	*	.	H	α-helix	trans	-70.3	-41.6	176.9	-171	171	-174.4	0	0	112	S409 L414 N415	S409-E411 PolarHBondContact O-N 3.33Å; S409-E411 VanDerWaalsContact O-N 3.16Å; S409-E411 PolarHBondContact OG-N 3.38Å; E411-L414 PolarHBondContact O-N 3.42Å; E411-N415 WeakPolarHBondContact O-CB 3.25Å; E411-N415 VanDerWaalsContact O-CG 3.28Å; E411-N415 PolarHBondContact O-N 3.14Å; E411-N415 PolarHBondContact O-ND2 2.84Å
412	D	85.8	Confident	76.7	Confident	76 Å²	76	92.8 Å²	92.8	41%	0.406	46%	0.463	S	S	.	.	H	α-helix	trans	-63.5	-43.2	175.7	-60.7	-38.8	0	0	0	111.1	L408 S409 L414 N415 I416	L408-D412 HydrophobicContact CD2-CB 4.1Å; S409-D412 VanDerWaalsContact CB-OD2 3.31Å; S409-D412 WeakPolarHBondContact CB-OD2 3.46Å; S409-D412 PolarHBondContact N-OD2 2.9Å; S409-D412 PolarHBondContact O-N 3.02Å; S409-D412 VanDerWaalsContact O-N 3.07Å; D412-L414 VanDerWaalsContact C-N 3.31Å; D412-L414 PolarHBondContact O-N 3.49Å; D412-N415 PolarHBondContact O-N 3.13Å; D412-I416 VanDerWaalsContact O-CG1 3.25Å; D412-I416 WeakPolarHBondContact O-CG1 3.46Å; D412-I416 PolarHBondContact O-N 3.43Å
413	E	82.8	Confident	79	Confident	72 Å²	72	94.6 Å²	94.6	34%	0.336	46%	0.464	S	S	.	.	H	α-helix	trans	-60.5	-42.5	176.4	-171.2	-173	165.9	0	0	111.5	S409 K417	S409-E413 PolarHBondContact O-N 2.91Å; S409-E413 VanDerWaalsContact O-N 3.09Å; E413-K417 HydrophobicContact CG-CD 4.49Å; E413-K417 WeakPolarHBondContact O-CG 3.41Å; E413-K417 PolarHBondContact O-N 3.33Å; E413-K417 VanDerWaalsContact OE1-CE 3.25Å; E413-K417 WeakPolarHBondContact OE1-CE 3.41Å; E413-K417 IonicContact OE1-NZ 3.22Å; E413-K417 PolarHBondContact OE1-NZ 3.26Å
414	L	85.2	Confident	81.1	Confident	54 Å²	54	86.1 Å²	86.1	28%	0.283	43%	0.427	S	S	.	.	H	α-helix	trans	-65.2	-42.8	176.3	177.1	59	0	0	0	111.7	K410 E411 D412 K417 K418 N457	K410-L414 WeakPolarHBondContact O-CB 3.12Å; K410-L414 PolarHBondContact O-N 2.89Å; K410-L414 VanDerWaalsContact O-N 3.12Å; E411-L414 PolarHBondContact O-N 3.42Å; D412-L414 VanDerWaalsContact C-N 3.31Å; D412-L414 PolarHBondContact O-N 3.49Å; L414-K417 PolarHBondContact O-N 3.43Å; L414-K418 WeakPolarHBondContact O-CB 3.35Å; L414-K418 PolarHBondContact O-N 3.24Å; L414-N457 HydrophobicContact CD1-CB 3.76Å; L414-N457 HydrophobicContact CD2-CB 3.99Å
415	N	88.1	Confident	83.2	Confident	68 Å²	68	79.6 Å²	79.6	36%	0.364	39%	0.392	S	S	.	.	H	α-helix	trans	-63	-42	178	-75.1	-26.9	0	0	0	111.8	E411 D412 K418 Q419	E411-N415 WeakPolarHBondContact O-CB 3.25Å; E411-N415 VanDerWaalsContact O-CG 3.28Å; E411-N415 PolarHBondContact O-N 3.14Å; E411-N415 PolarHBondContact O-ND2 2.84Å; D412-N415 PolarHBondContact O-N 3.13Å; N415-K418 PolarHBondContact O-N 3.46Å; N415-Q419 WeakPolarHBondContact O-CB 3.42Å; N415-Q419 WeakPolarHBondContact O-CG 3.25Å; N415-Q419 PolarHBondContact O-N 3.3Å
416	I	87.6	Confident	85.2	Confident	75 Å²	75	76.9 Å²	76.9	39%	0.385	38%	0.377	S	S	.	.	H	α-helix	trans	-61.4	-46.4	174.6	-68.9	164	0	0	0	110.4	L408 D412 K418 Q419 L420	L408-I416 HydrophobicContact CD2-CD1 3.56Å; D412-I416 VanDerWaalsContact O-CG1 3.25Å; D412-I416 WeakPolarHBondContact O-CG1 3.46Å; D412-I416 PolarHBondContact O-N 3.43Å; I416-K418 VanDerWaalsContact C-N 3.33Å; I416-K418 PolarHBondContact O-N 3.45Å; I416-Q419 PolarHBondContact O-N 2.8Å; I416-L420 WeakPolarHBondContact O-CB 3.46Å; I416-L420 PolarHBondContact O-N 3.5Å
417	K	87.4	Confident	86.9	Confident	43 Å²	43	73.1 Å²	73.1	19%	0.187	36%	0.357	C	S	.	.	H	α-helix	trans	-61.3	-41.3	176.7	-74.1	173.1	-174.4	171.7	0	111.9	M397 E413 L414 L420 T421 I459	M397-K417 VanDerWaalsContact O-CE 3.3Å; M397-K417 WeakPolarHBondContact O-CE 3.31Å; E413-K417 HydrophobicContact CG-CD 4.49Å; E413-K417 WeakPolarHBondContact O-CG 3.41Å; E413-K417 PolarHBondContact O-N 3.33Å; E413-K417 VanDerWaalsContact OE1-CE 3.25Å; E413-K417 WeakPolarHBondContact OE1-CE 3.41Å; E413-K417 IonicContact OE1-NZ 3.22Å; E413-K417 PolarHBondContact OE1-NZ 3.26Å; L414-K417 PolarHBondContact O-N 3.43Å; K417-L420 PolarHBondContact O-N 2.91Å; K417-T421 VanDerWaalsContact O-CB 3.26Å; K417-T421 WeakPolarHBondContact O-CB 3.44Å; K417-T421 PolarHBondContact O-N 3.19Å; K417-T421 PolarHBondContact O-OG1 3.14Å; K417-I459 HydrophobicContact CB-CG1 4.28Å; K417-I459 HydrophobicContact CD-CD1 4.49Å; K417-I459 HydrophobicContact CD-CG1 4.49Å; K417-I459 HydrophobicContact CG-CD1 4.46Å; K417-I459 HydrophobicContact CG-CG1 4.3Å
418	K	89.4	Confident	88.3	Confident	79 Å²	79	65.8 Å²	65.8	34%	0.343	32%	0.317	S	S	.	.	H	α-helix	trans	-63.2	-48.1	177.1	-173.7	178.9	179.3	170.7	0	111.4	L414 N415 I416 L420 T421 R422 W447 E451	L414-K418 WeakPolarHBondContact O-CB 3.35Å; L414-K418 PolarHBondContact O-N 3.24Å; N415-K418 PolarHBondContact O-N 3.46Å; I416-K418 VanDerWaalsContact C-N 3.33Å; I416-K418 PolarHBondContact O-N 3.45Å; K418-L420 PolarHBondContact O-N 3Å; K418-T421 WeakPolarHBondContact O-CB 3.26Å; K418-T421 PolarHBondContact O-N 3.17Å; K418-R422 WeakPolarHBondContact O-CB 3.24Å; K418-R422 PolarHBondContact O-N 3.01Å; K418-W447 HydrophobicContact CD-CZ2 4.35Å; K418-W447 HydrophobicContact CG-CH2 4.23Å; K418-W447 HydrophobicContact CG-CZ2 3.73Å; K418-E451 VanDerWaalsContact CE-CD 3.45Å; K418-E451 WeakPolarHBondContact CE-OE1 3.4Å; K418-E451 WeakPolarHBondContact CE-OE2 3.5Å; K418-E451 VanDerWaalsContact NZ-CD 3.25Å; K418-E451 IonicContact NZ-OE1 2.89Å; K418-E451 PolarHBondContact NZ-OE1 3.41Å; K418-E451 IonicContact NZ-OE2 2.69Å; K418-E451 PolarHBondContact NZ-OE2 3.04Å
419	Q	90.5	Very high	89.3	Confident	141 Å²	141	62 Å²	62	66%	0.659	30%	0.298	S	S	*	.	H	α-helix	trans	-61.5	-42.8	177	-73.3	176.6	9.9	0	0	112	N415 I416 R422 K423	N415-Q419 WeakPolarHBondContact O-CB 3.42Å; N415-Q419 WeakPolarHBondContact O-CG 3.25Å; N415-Q419 PolarHBondContact O-N 3.3Å; I416-Q419 PolarHBondContact O-N 2.8Å; Q419-R422 PolarHBondContact O-N 3.31Å; Q419-K423 WeakPolarHBondContact O-CB 3.19Å; Q419-K423 PolarHBondContact O-N 3.24Å
420	L	90.3	Very high	89.8	Confident	23 Å²	23	64 Å²	64	12%	0.12	30%	0.303	C	S	.	.	H	α-helix	trans	-65.4	-42.1	177.2	179.7	56.8	0	0	0	112.1	N393 L396 M397 I416 K417 K418 K423 I424	N393-L420 HydrophobicContact CB-CD1 4.37Å; N393-L420 HydrophobicContact CB-CD2 4.17Å; L396-L420 HydrophobicContact CB-CD2 3.96Å; M397-L420 HydrophobicContact CG-CD2 3.57Å; M397-L420 HydrophobicContact SD-CD2 3.42Å; M397-L420 WeakPolarHBondContact SD-CD2 3.2Å; M397-L420 HydrophobicContact SD-CG 3.93Å; I416-L420 WeakPolarHBondContact O-CB 3.46Å; I416-L420 PolarHBondContact O-N 3.5Å; K417-L420 PolarHBondContact O-N 2.91Å; K418-L420 PolarHBondContact O-N 3Å; L420-K423 PolarHBondContact O-N 3.39Å; L420-I424 HydrophobicContact CD1-CD1 4.04Å; L420-I424 HydrophobicContact CD1-CG1 4.23Å; L420-I424 HydrophobicContact CG-CD1 4.04Å; L420-I424 VanDerWaalsContact O-CG1 3.3Å; L420-I424 WeakPolarHBondContact O-CG1 3.49Å; L420-I424 PolarHBondContact O-N 3.31Å
421	T	91.1	Very high	90.5	Very high	1 Å²	1	61 Å²	61	1%	0.006	29%	0.286	C	S	.	.	H	α-helix	trans	-59.3	-48.1	175.4	-62.4	0	0	0	0	110.6	K417 K418 I424 F425 W447 M460 Y465	K417-T421 VanDerWaalsContact O-CB 3.26Å; K417-T421 WeakPolarHBondContact O-CB 3.44Å; K417-T421 PolarHBondContact O-N 3.19Å; K417-T421 PolarHBondContact O-OG1 3.14Å; K418-T421 WeakPolarHBondContact O-CB 3.26Å; K418-T421 PolarHBondContact O-N 3.17Å; T421-I424 PolarHBondContact O-N 3.32Å; T421-F425 WeakPolarHBondContact O-CB 3.42Å; T421-F425 PolarHBondContact O-N 3.08Å; T421-W447 HydrophobicContact CG2-CH2 4.2Å; T421-W447 HydrophobicContact CG2-CZ3 4.27Å; T421-M460 HydrophobicContact CG2-CB 3.68Å; T421-M460 HydrophobicContact CG2-CG 3.87Å; T421-M460 HydrophobicContact CG2-SD 3.91Å; T421-Y465 HydrophobicContact CG2-CE1 4.49Å; T421-Y465 WeakPolarHBondContact CG2-OH 3.31Å
422	R	93	Very high	91.1	Very high	62 Å²	62	55.1 Å²	55.1	23%	0.234	26%	0.259	C	S	.	.	H	α-helix	trans	-59.6	-48.3	176.3	-177.4	168.7	171.8	159.5	-3	111.8	K418 Q419 I424 F425 E426 E444 W447	K418-R422 WeakPolarHBondContact O-CB 3.24Å; K418-R422 PolarHBondContact O-N 3.01Å; Q419-R422 PolarHBondContact O-N 3.31Å; R422-I424 PolarHBondContact O-N 3.39Å; R422-F425 WeakPolarHBondContact O-CB 3.4Å; R422-F425 PolarHBondContact O-N 3.13Å; R422-E426 HydrophobicContact CG-CG 4.38Å; R422-E426 WeakPolarHBondContact CG-OE1 3.34Å; R422-E426 IonicContact CZ-OE1 2.78Å; R422-E426 IonicContact NE-OE1 3.3Å; R422-E426 PolarHBondContact NE-OE1 3.09Å; R422-E426 IonicContact NH2-OE1 2.92Å; R422-E426 PolarHBondContact NH2-OE1 3.49Å; R422-E426 WeakPolarHBondContact O-CG 3.45Å; R422-E426 PolarHBondContact O-N 2.63Å; R422-E444 IonicContact CZ-OE1 3.86Å; R422-E444 IonicContact CZ-OE2 3.44Å; R422-E444 IonicContact NH1-OE1 2.76Å; R422-E444 PolarHBondContact NH1-OE1 2.99Å; R422-E444 IonicContact NH1-OE2 3.36Å; R422-E444 PolarHBondContact NH1-OE2 2.94Å; R422-E444 VanDerWaalsContact NH1-OE2 3.16Å; R422-E444 IonicContact NH2-OE1 3.13Å; R422-E444 PolarHBondContact NH2-OE1 2.96Å; R422-E444 IonicContact NH2-OE2 3.61Å; R422-W447 VanDerWaalsContact CA-CZ3 3.41Å; R422-W447 HydrophobicContact CB-CD2 4.13Å; R422-W447 HydrophobicContact CB-CE3 3.77Å; R422-W447 HydrophobicContact CB-CH2 3.68Å; R422-W447 HydrophobicContact CB-CZ2 4.04Å; R422-W447 HydrophobicContact CB-CZ3 3.55Å; R422-W447 HydrophobicContact CG-CD2 3.83Å; R422-W447 HydrophobicContact CG-CE3 3.71Å; R422-W447 HydrophobicContact CG-CG 4.4Å; R422-W447 HydrophobicContact CG-CH2 4.44Å; R422-W447 HydrophobicContact CG-CZ3 4.05Å
423	K	92.8	Very high	91.5	Very high	120 Å²	120	61.5 Å²	61.5	52%	0.522	28%	0.277	S	S	.	.	H	α-helix	trans	-58.3	-48.4	177.1	-178.9	179.4	178.1	-177.7	0	112.1	Q419 L420 F425 E426 D427	Q419-K423 WeakPolarHBondContact O-CB 3.19Å; Q419-K423 PolarHBondContact O-N 3.24Å; L420-K423 PolarHBondContact O-N 3.39Å; K423-F425 VanDerWaalsContact C-N 3.26Å; K423-F425 PolarHBondContact O-N 3.01Å; K423-E426 PolarHBondContact O-N 3.06Å; K423-D427 VanDerWaalsContact CE-OD2 3.31Å; K423-D427 WeakPolarHBondContact CE-OD2 3.23Å; K423-D427 WeakPolarHBondContact CG-OD2 3.4Å; K423-D427 VanDerWaalsContact O-CB 3.26Å; K423-D427 WeakPolarHBondContact O-CB 3.33Å; K423-D427 VanDerWaalsContact O-CG 3.24Å; K423-D427 PolarHBondContact O-N 2.95Å
424	I	93.6	Very high	91.9	Very high	5 Å²	5	58.5 Å²	58.5	3%	0.026	26%	0.263	C	S	.	.	H	α-helix	trans	-58.7	-42.1	178.6	-71.6	168.8	0	0	0	110.5	Y386 I390 N393 M397 L420 T421 R422 G428 Y465	Y386-I424 HydrophobicContact CD1-CG2 3.91Å; Y386-I424 WeakPolarHBondContact CE1-O 3.45Å; I390-I424 HydrophobicContact CG1-CD1 4.23Å; I390-I424 HydrophobicContact CG1-CG2 4.48Å; N393-I424 HydrophobicContact CB-CD1 4.5Å; M397-I424 HydrophobicContact CE-CD1 4.37Å; L420-I424 HydrophobicContact CD1-CD1 4.04Å; L420-I424 HydrophobicContact CD1-CG1 4.23Å; L420-I424 HydrophobicContact CG-CD1 4.04Å; L420-I424 VanDerWaalsContact O-CG1 3.3Å; L420-I424 WeakPolarHBondContact O-CG1 3.49Å; L420-I424 PolarHBondContact O-N 3.31Å; T421-I424 PolarHBondContact O-N 3.32Å; R422-I424 PolarHBondContact O-N 3.39Å; I424-G428 PolarHBondContact O-N 3.1Å; I424-Y465 HydrophobicContact CG2-CE2 4.37Å
425	F	93.8	Very high	92.3	Very high	1 Å²	1	58 Å²	58	0%	0.004	26%	0.263	C	S	.	.	H	α-helix	trans	-62.1	-53.7	177.2	178.3	-120.7	0	0	0	111.6	Y386 T421 R422 K423 G428 L429 L446 W447 L450 Y465 L468 V469	Y386-F425 PolarHBondContact OH-O 2.82Å; Y386-F425 VanDerWaalsContact OH-O 3.12Å; T421-F425 WeakPolarHBondContact O-CB 3.42Å; T421-F425 PolarHBondContact O-N 3.08Å; R422-F425 WeakPolarHBondContact O-CB 3.4Å; R422-F425 PolarHBondContact O-N 3.13Å; K423-F425 VanDerWaalsContact C-N 3.26Å; K423-F425 PolarHBondContact O-N 3.01Å; F425-G428 PolarHBondContact O-N 3.44Å; F425-L429 HydrophobicContact CD1-CD1 4.48Å; F425-L429 HydrophobicContact CE1-CD1 4.01Å; F425-L429 HydrophobicContact CE2-CD1 4.06Å; F425-L429 HydrophobicContact CE2-CD2 4.4Å; F425-L429 HydrophobicContact CE2-CG 4.38Å; F425-L429 HydrophobicContact CZ-CD1 3.78Å; F425-L429 WeakPolarHBondContact O-CG 3.24Å; F425-L429 PolarHBondContact O-N 2.95Å; F425-L446 HydrophobicContact CE1-CB 3.75Å; F425-L446 HydrophobicContact CZ-CB 3.93Å; F425-L446 HydrophobicContact CZ-CD1 4.44Å; F425-W447 HydrophobicContact CD1-CE3 4.32Å; F425-L450 HydrophobicContact CD1-CD2 4.19Å; F425-L450 HydrophobicContact CD2-CD2 4.31Å; F425-L450 HydrophobicContact CE1-CD2 4.36Å; F425-L450 HydrophobicContact CE2-CD2 4.49Å; F425-L450 HydrophobicContact CG-CD2 4.15Å; F425-Y465 HydrophobicContact CB-CD2 4.37Å; F425-Y465 HydrophobicContact CB-CE2 4.27Å; F425-Y465 HydrophobicContact CD2-CD1 4.05Å; F425-Y465 AromaticContact CD2-CD2 3.84Å; F425-Y465 HydrophobicContact CD2-CD2 3.84Å; F425-Y465 AromaticContact CD2-CG 3.59Å; F425-Y465 HydrophobicContact CD2-CG 3.59Å; F425-Y465 HydrophobicContact CE2-CG 4.13Å; F425-Y465 HydrophobicContact CG-CG 4.5Å; F425-L468 HydrophobicContact CZ-CD2 4.14Å; F425-V469 HydrophobicContact CE2-CG2 4.19Å; F425-V469 HydrophobicContact CZ-CG2 4.45Å
426	E	93.3	Very high	92.4	Very high	41 Å²	41	58.7 Å²	58.7	19%	0.192	26%	0.264	C	S	.	.	H	α-helix	trans	-61.9	-47	179.8	-66.6	177.5	177	0	0	112.3	R422 K423 G428 L429 I430 L443	R422-E426 HydrophobicContact CG-CG 4.38Å; R422-E426 WeakPolarHBondContact CG-OE1 3.34Å; R422-E426 IonicContact CZ-OE1 2.78Å; R422-E426 IonicContact NE-OE1 3.3Å; R422-E426 PolarHBondContact NE-OE1 3.09Å; R422-E426 IonicContact NH2-OE1 2.92Å; R422-E426 PolarHBondContact NH2-OE1 3.49Å; R422-E426 WeakPolarHBondContact O-CG 3.45Å; R422-E426 PolarHBondContact O-N 2.63Å; K423-E426 PolarHBondContact O-N 3.06Å; E426-G428 PolarHBondContact O-N 3.08Å; E426-L429 PolarHBondContact O-N 3.38Å; E426-L429 VanDerWaalsContact O-N 3.13Å; E426-I430 VanDerWaalsContact O-CG1 3.31Å; E426-I430 WeakPolarHBondContact O-CG1 3.21Å; E426-I430 PolarHBondContact O-N 2.94Å; E426-L443 HydrophobicContact CG-CD2 4.27Å
427	D	94.2	Very high	92.4	Very high	65 Å²	65	55.7 Å²	55.7	35%	0.348	25%	0.249	S	C	.	.	H	α-helix	trans	-57.7	-38.3	179.1	-75.9	-14.9	0	0	0	111.4	K423 W431	K423-D427 VanDerWaalsContact CE-OD2 3.31Å; K423-D427 WeakPolarHBondContact CE-OD2 3.23Å; K423-D427 WeakPolarHBondContact CG-OD2 3.4Å; K423-D427 VanDerWaalsContact O-CB 3.26Å; K423-D427 WeakPolarHBondContact O-CB 3.33Å; K423-D427 VanDerWaalsContact O-CG 3.24Å; K423-D427 PolarHBondContact O-N 2.95Å; D427-W431 WeakPolarHBondContact O-CB 3.46Å; D427-W431 PolarHBondContact O-N 3.47Å
428	G	94.9	Very high	92.2	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-69.2	-40.1	177.4	0	0	0	0	0	113.4	L382 I424 F425 E426 W431 F432	L382-G428 WeakPolarHBondContact CD1-O 3.43Å; I424-G428 PolarHBondContact O-N 3.1Å; F425-G428 PolarHBondContact O-N 3.44Å; E426-G428 PolarHBondContact O-N 3.08Å; G428-W431 PolarHBondContact O-N 3.27Å; G428-F432 VanDerWaalsContact O-CB 3.31Å; G428-F432 WeakPolarHBondContact O-CB 3.33Å; G428-F432 PolarHBondContact O-N 2.76Å
429	L	94	Very high	92	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65.8	-42.2	175.4	-59.5	179.1	0	0	0	111.5	Y386 F425 E426 F432 R433 L434 L437 L443 L446 V469	Y386-L429 VanDerWaalsContact OH-CD2 3.31Å; Y386-L429 WeakPolarHBondContact OH-CD2 3.21Å; Y386-L429 PolarHBondContact OH-N 2.83Å; F425-L429 HydrophobicContact CD1-CD1 4.48Å; F425-L429 HydrophobicContact CE1-CD1 4.01Å; F425-L429 HydrophobicContact CE2-CD1 4.06Å; F425-L429 HydrophobicContact CE2-CD2 4.4Å; F425-L429 HydrophobicContact CE2-CG 4.38Å; F425-L429 HydrophobicContact CZ-CD1 3.78Å; F425-L429 WeakPolarHBondContact O-CG 3.24Å; F425-L429 PolarHBondContact O-N 2.95Å; E426-L429 PolarHBondContact O-N 3.38Å; E426-L429 VanDerWaalsContact O-N 3.13Å; L429-F432 PolarHBondContact O-N 3.46Å; L429-R433 PolarHBondContact O-N 3.45Å; L429-L434 HydrophobicContact CD2-CD1 3.89Å; L429-L437 HydrophobicContact CB-CD1 3.97Å; L429-L437 HydrophobicContact CB-CD2 3.49Å; L429-L437 VanDerWaalsContact CB-CD2 3.49Å; L429-L437 HydrophobicContact CB-CG 4.37Å; L429-L437 HydrophobicContact CD1-CD1 3.95Å; L429-L437 WeakPolarHBondContact O-CD2 3.3Å; L429-L443 HydrophobicContact CD1-CD2 4.36Å; L429-L446 HydrophobicContact CD1-CD1 3.56Å; L429-V469 HydrophobicContact CD2-CG1 4.36Å; L429-V469 HydrophobicContact CD2-CG2 3.53Å
430	I	93.3	Very high	91.6	Very high	99 Å²	99	58.6 Å²	58.6	51%	0.508	27%	0.274	S	S	.	.	H	α-helix	trans	-63.4	-47	176.7	-66.6	165.8	0	0	0	110	E426 F432 R433 L437	E426-I430 VanDerWaalsContact O-CG1 3.31Å; E426-I430 WeakPolarHBondContact O-CG1 3.21Å; E426-I430 PolarHBondContact O-N 2.94Å; I430-F432 PolarHBondContact O-N 2.89Å; I430-R433 PolarHBondContact O-N 3.38Å; I430-R433 VanDerWaalsContact O-N 3.1Å; I430-L437 HydrophobicContact CG1-CD2 3.98Å
431	W	95.8	Very high	91.5	Very high	124 Å²	124	64.1 Å²	64.1	47%	0.47	30%	0.299	S	S	.	.	H	α-helix	trans	-57.9	-36.6	174.7	174.1	83.3	0	0	0	111.9	N381 L382 Y385 D427 G428 R433	N381-W431 HydrophobicContact CB-CH2 4.12Å; L382-W431 HydrophobicContact CB-CZ3 4.45Å; L382-W431 HydrophobicContact CD1-CE3 4.05Å; L382-W431 HydrophobicContact CD1-CZ3 4.14Å; Y385-W431 AromaticContact CD2-CD2 3.52Å; Y385-W431 HydrophobicContact CD2-CD2 3.52Å; Y385-W431 AromaticContact CD2-CE2 3.77Å; Y385-W431 AromaticContact CD2-CE3 3.8Å; Y385-W431 HydrophobicContact CD2-CE3 3.8Å; Y385-W431 AromaticContact CD2-CG 3.85Å; Y385-W431 HydrophobicContact CD2-CG 3.85Å; Y385-W431 HydrophobicContact CD2-CH2 4.49Å; Y385-W431 HydrophobicContact CD2-CZ2 4.26Å; Y385-W431 HydrophobicContact CD2-CZ3 4.28Å; Y385-W431 HydrophobicContact CE2-CB 3.97Å; Y385-W431 AromaticContact CE2-CD1 3.78Å; Y385-W431 AromaticContact CE2-CD2 3.79Å; Y385-W431 HydrophobicContact CE2-CD2 3.79Å; Y385-W431 HydrophobicContact CE2-CE3 4.39Å; Y385-W431 AromaticContact CE2-CG 3.56Å; Y385-W431 HydrophobicContact CE2-CG 3.56Å; Y385-W431 HydrophobicContact CG-CD2 4.1Å; Y385-W431 AromaticContact CG-CE3 3.88Å; Y385-W431 HydrophobicContact CG-CE3 3.88Å; Y385-W431 HydrophobicContact CG-CZ3 4.22Å; D427-W431 WeakPolarHBondContact O-CB 3.46Å; D427-W431 PolarHBondContact O-N 3.47Å; G428-W431 PolarHBondContact O-N 3.27Å; W431-R433 VanDerWaalsContact C-N 3.32Å; W431-R433 PolarHBondContact O-N 3.13Å
432	F	95.5	Very high	91.5	Very high	9 Å²	9	64.9 Å²	64.9	4%	0.039	30%	0.303	C	S	.	.	H	α-helix	trans	-76.5	-15.7	179.2	-154.2	-109.7	0	0	0	114.7	L369 R372 A378 L382 G428 L429 I430 L434 F470	L369-F432 HydrophobicContact CD1-CE1 4.22Å; L369-F432 HydrophobicContact CD1-CZ 3.9Å; R372-F432 PolarHBondContact NH1-O 2.82Å; R372-F432 VanDerWaalsContact NH1-O 3.16Å; R372-F432 PolarHBondContact NH2-O 3.42Å; A378-F432 HydrophobicContact CB-CE2 4.25Å; A378-F432 HydrophobicContact CB-CZ 4.02Å; A378-F432 WeakPolarHBondContact O-CE2 3.44Å; L382-F432 HydrophobicContact CB-CD2 3.7Å; L382-F432 HydrophobicContact CB-CE2 3.72Å; L382-F432 HydrophobicContact CB-CG 4.41Å; L382-F432 HydrophobicContact CB-CZ 4.43Å; L382-F432 HydrophobicContact CD1-CB 3.95Å; L382-F432 HydrophobicContact CD1-CD2 3.94Å; L382-F432 HydrophobicContact CD1-CG 4.11Å; L382-F432 HydrophobicContact CD2-CB 4.35Å; L382-F432 HydrophobicContact CD2-CD1 4.17Å; L382-F432 HydrophobicContact CD2-CD2 4.05Å; L382-F432 HydrophobicContact CD2-CE1 4.5Å; L382-F432 HydrophobicContact CD2-CE2 4.4Å; L382-F432 HydrophobicContact CD2-CG 3.92Å; L382-F432 HydrophobicContact CG-CD2 4.09Å; L382-F432 HydrophobicContact CG-CG 4.36Å; G428-F432 VanDerWaalsContact O-CB 3.31Å; G428-F432 WeakPolarHBondContact O-CB 3.33Å; G428-F432 PolarHBondContact O-N 2.76Å; L429-F432 PolarHBondContact O-N 3.46Å; I430-F432 PolarHBondContact O-N 2.89Å; F432-L434 HydrophobicContact CD1-CD2 3.65Å; F432-L434 HydrophobicContact CD1-CG 3.96Å; F432-L434 HydrophobicContact CE1-CD2 4.1Å; F432-F470 HydrophobicContact CD1-CZ 4.31Å; F432-F470 HydrophobicContact CE1-CE2 4.38Å; F432-F470 AromaticContact CE1-CZ 3.7Å; F432-F470 HydrophobicContact CE1-CZ 3.7Å; F432-F470 HydrophobicContact CZ-CZ 4.39Å
433	R	94.2	Very high	91.3	Very high	210 Å²	210	63.3 Å²	63.3	79%	0.792	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	51.5	176.6	-54.2	177.8	-177.8	-179	-1.9	113.4	L429 I430 W431	L429-R433 PolarHBondContact O-N 3.45Å; I430-R433 PolarHBondContact O-N 3.38Å; I430-R433 VanDerWaalsContact O-N 3.1Å; W431-R433 VanDerWaalsContact C-N 3.32Å; W431-R433 PolarHBondContact O-N 3.13Å
434	L	92.4	Very high	91.3	Very high	9 Å²	9	60.9 Å²	60.9	5%	0.047	29%	0.29	C	S	.	.			trans	-69.8	137.6	174.2	-68.9	176.2	0	0	0	111	W365 L429 F432 L437 V469 F470	W365-L434 HydrophobicContact CB-CD2 3.92Å; W365-L434 HydrophobicContact CD2-CB 4.5Å; W365-L434 HydrophobicContact CD2-CD1 3.83Å; W365-L434 HydrophobicContact CD2-CD2 4.47Å; W365-L434 HydrophobicContact CD2-CG 4.5Å; W365-L434 HydrophobicContact CE3-CD1 4.14Å; W365-L434 HydrophobicContact CG-CB 4.33Å; W365-L434 HydrophobicContact CG-CD1 4.08Å; W365-L434 HydrophobicContact CG-CD2 3.84Å; W365-L434 HydrophobicContact CG-CG 4.31Å; W365-L434 HydrophobicContact CZ2-CD1 4.49Å; L429-L434 HydrophobicContact CD2-CD1 3.89Å; F432-L434 HydrophobicContact CD1-CD2 3.65Å; F432-L434 HydrophobicContact CD1-CG 3.96Å; F432-L434 HydrophobicContact CE1-CD2 4.1Å; L434-L437 HydrophobicContact CB-CB 4.44Å; L434-L437 WeakPolarHBondContact O-CB 3.47Å; L434-V469 HydrophobicContact CD1-CG1 3.73Å; L434-F470 HydrophobicContact CD2-CZ 4.34Å
435	P	92.6	Very high	91.2	Very high	42 Å²	42	61.2 Å²	61.2	27%	0.273	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	148.9	175.6	27.5	-35.4	0	0	0	111.5	L364 W365 D368 L437	L364-P435 HydrophobicContact CD1-CG 4.36Å; L364-P435 HydrophobicContact CD2-CB 4.32Å; L364-P435 HydrophobicContact CD2-CG 4.04Å; L364-P435 HydrophobicContact CG-CG 3.92Å; W365-P435 PolarHBondContact NE1-O 2.81Å; D368-P435 HydrophobicContact CB-CG 4.07Å; P435-L437 PolarHBondContact O-N 3.49Å
436	E	90.5	Very high	91.2	Very high	83 Å²	83	61.1 Å²	61.1	39%	0.388	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	11.9	-178.3	-53.6	-166.9	-163.1	0	0	115.9	L364 D438 K439 N442	L364-E436 HydrophobicContact CD2-CB 4.39Å; L364-E436 HydrophobicContact CD2-CG 3.89Å; E436-D438 VanDerWaalsContact C-N 3.26Å; E436-D438 WeakPolarHBondContact CA-OD1 3.33Å; E436-D438 PolarHBondContact O-N 3.3Å; E436-K439 HydrophobicContact CB-CD 4.43Å; E436-K439 IonicContact OE2-NZ 3.35Å; E436-K439 PolarHBondContact OE2-NZ 3.39Å; E436-N442 PolarHBondContact O-ND2 3.01Å
437	L	87.7	Confident	91.2	Very high	12 Å²	12	59.5 Å²	59.5	6%	0.063	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-21.1	176.6	-169.4	72.3	0	0	0	113.1	L429 I430 L434 P435 K439 L443 L446	L429-L437 HydrophobicContact CB-CD1 3.97Å; L429-L437 HydrophobicContact CB-CD2 3.49Å; L429-L437 VanDerWaalsContact CB-CD2 3.49Å; L429-L437 HydrophobicContact CB-CG 4.37Å; L429-L437 HydrophobicContact CD1-CD1 3.95Å; L429-L437 WeakPolarHBondContact O-CD2 3.3Å; I430-L437 HydrophobicContact CG1-CD2 3.98Å; L434-L437 HydrophobicContact CB-CB 4.44Å; L434-L437 WeakPolarHBondContact O-CB 3.47Å; P435-L437 PolarHBondContact O-N 3.49Å; L437-K439 PolarHBondContact O-N 3.5Å; L437-L443 HydrophobicContact CD1-CD2 3.49Å; L437-L443 VanDerWaalsContact CD1-CD2 3.49Å; L437-L443 HydrophobicContact CD1-CG 4.29Å; L437-L443 HydrophobicContact CG-CD2 3.94Å; L437-L446 HydrophobicContact CD1-CD1 4.28Å
438	D	83.8	Confident	91.1	Very high	139 Å²	139	59.6 Å²	59.6	74%	0.743	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-19.2	178.3	59.8	-48.3	0	0	0	113.3	E436 T440	E436-D438 VanDerWaalsContact C-N 3.26Å; E436-D438 WeakPolarHBondContact CA-OD1 3.33Å; E436-D438 PolarHBondContact O-N 3.3Å; D438-T440 PolarHBondContact O-N 3.42Å
439	K	84.3	Confident	91	Very high	89 Å²	89	59.6 Å²	59.6	39%	0.387	28%	0.284	S	S	.	.	S	Bend	trans	-74.2	113.9	174.1	-59.6	177.6	-174.9	171.2	0	109.9	E436 L437 E441 N442	E436-K439 HydrophobicContact CB-CD 4.43Å; E436-K439 IonicContact OE2-NZ 3.35Å; E436-K439 PolarHBondContact OE2-NZ 3.39Å; L437-K439 PolarHBondContact O-N 3.5Å; K439-E441 PolarHBondContact O-N 3.03Å; K439-E441 VanDerWaalsContact O-N 3.11Å; K439-N442 HydrophobicContact CB-CB 4.41Å; K439-N442 WeakPolarHBondContact O-CB 3.41Å; K439-N442 PolarHBondContact O-N 2.98Å
440	T	82.7	Confident	90.9	Very high	97 Å²	97	59.6 Å²	59.6	60%	0.595	28%	0.284	S	S	*	.	H	α-helix	trans	-52.7	-35.4	179.2	-52.4	0	0	0	0	112.4	D438 N442 L443 E444	D438-T440 PolarHBondContact O-N 3.42Å; T440-N442 VanDerWaalsContact C-N 3.26Å; T440-N442 PolarHBondContact O-N 2.94Å; T440-L443 PolarHBondContact O-N 3.31Å; T440-E444 PolarHBondContact O-N 3.22Å; T440-E444 VanDerWaalsContact O-N 3.11Å
441	E	88.2	Confident	90.9	Very high	138 Å²	138	57 Å²	57	65%	0.645	27%	0.269	S	S	*	.	H	α-helix	trans	-63.9	-30.8	179.3	-55	86.1	179.6	0	0	112.8	K439 L445	K439-E441 PolarHBondContact O-N 3.03Å; K439-E441 VanDerWaalsContact O-N 3.11Å; E441-L445 WeakPolarHBondContact O-CB 2.96Å; E441-L445 PolarHBondContact O-N 3.28Å
442	N	90.3	Very high	90.7	Very high	17 Å²	17	51.9 Å²	51.9	9%	0.091	25%	0.254	C	S	.	.	H	α-helix	trans	-72.9	-38.8	179.3	-72.5	-15.8	0	0	0	111.4	L361 E436 K439 T440 L445 L446	L361-N442 HydrophobicContact CD1-CB 4.1Å; E436-N442 PolarHBondContact O-ND2 3.01Å; K439-N442 HydrophobicContact CB-CB 4.41Å; K439-N442 WeakPolarHBondContact O-CB 3.41Å; K439-N442 PolarHBondContact O-N 2.98Å; T440-N442 VanDerWaalsContact C-N 3.26Å; T440-N442 PolarHBondContact O-N 2.94Å; N442-L445 PolarHBondContact O-N 3.46Å; N442-L446 WeakPolarHBondContact O-CB 3.38Å; N442-L446 VanDerWaalsContact O-CG 3.25Å; N442-L446 WeakPolarHBondContact O-CG 3.29Å; N442-L446 PolarHBondContact O-N 3.35Å
443	L	90.5	Very high	90.5	Very high	29 Å²	29	54.2 Å²	54.2	15%	0.152	27%	0.265	C	S	.	.	H	α-helix	trans	-65.1	-44.6	174.1	-71	173.9	0	0	0	111.3	E426 L429 L437 T440 L446 W447	E426-L443 HydrophobicContact CG-CD2 4.27Å; L429-L443 HydrophobicContact CD1-CD2 4.36Å; L437-L443 HydrophobicContact CD1-CD2 3.49Å; L437-L443 VanDerWaalsContact CD1-CD2 3.49Å; L437-L443 HydrophobicContact CD1-CG 4.29Å; L437-L443 HydrophobicContact CG-CD2 3.94Å; T440-L443 PolarHBondContact O-N 3.31Å; L443-L446 PolarHBondContact O-N 3.1Å; L443-W447 WeakPolarHBondContact O-CB 3.43Å; L443-W447 PolarHBondContact O-N 3.23Å
444	E	92	Very high	90.4	Very high	69 Å²	69	44.2 Å²	44.2	32%	0.322	23%	0.227	S	C	.	.	H	α-helix	trans	-64	-40.7	175.6	-71.5	-59.4	158	0	0	112.1	R422 T440 L446 W447 N448	R422-E444 IonicContact CZ-OE1 3.86Å; R422-E444 IonicContact CZ-OE2 3.44Å; R422-E444 IonicContact NH1-OE1 2.76Å; R422-E444 PolarHBondContact NH1-OE1 2.99Å; R422-E444 IonicContact NH1-OE2 3.36Å; R422-E444 PolarHBondContact NH1-OE2 2.94Å; R422-E444 VanDerWaalsContact NH1-OE2 3.16Å; R422-E444 IonicContact NH2-OE1 3.13Å; R422-E444 PolarHBondContact NH2-OE1 2.96Å; R422-E444 IonicContact NH2-OE2 3.61Å; T440-E444 PolarHBondContact O-N 3.22Å; T440-E444 VanDerWaalsContact O-N 3.11Å; E444-L446 PolarHBondContact O-N 2.57Å; E444-W447 PolarHBondContact O-N 2.69Å; E444-N448 WeakPolarHBondContact O-CB 3.18Å; E444-N448 VanDerWaalsContact O-CG 3.27Å; E444-N448 PolarHBondContact O-N 3.2Å; E444-N448 PolarHBondContact O-ND2 3.49Å
445	L	92.4	Very high	90.3	Very high	12 Å²	12	43.8 Å²	43.8	6%	0.063	23%	0.225	C	C	.	.	H	α-helix	trans	-57.2	-49.5	174.5	171.1	63.6	0	0	0	111.2	Y354 E357 L361 E441 N442 N448 A449	Y354-L445 HydrophobicContact CD1-CD1 3.87Å; Y354-L445 HydrophobicContact CD2-CD1 4.35Å; Y354-L445 HydrophobicContact CG-CD1 3.59Å; Y354-L445 WeakPolarHBondContact O-CD1 3.26Å; E357-L445 HydrophobicContact CB-CD2 3.63Å; L361-L445 HydrophobicContact CD1-CD2 3.96Å; E441-L445 WeakPolarHBondContact O-CB 2.96Å; E441-L445 PolarHBondContact O-N 3.28Å; N442-L445 PolarHBondContact O-N 3.46Å; L445-N448 PolarHBondContact O-N 2.9Å; L445-A449 VanDerWaalsContact O-CB 3.26Å; L445-A449 WeakPolarHBondContact O-CB 3.34Å; L445-A449 PolarHBondContact O-N 3.04Å
446	L	92.8	Very high	90.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64	-43.6	179.2	-72	170.4	0	0	0	111.8	L358 W365 F425 L429 L437 N442 L443 E444 A449 L450 L468	L358-L446 HydrophobicContact CD1-CD2 3.82Å; W365-L446 HydrophobicContact CH2-CD1 3.4Å; W365-L446 HydrophobicContact CH2-CD2 3.74Å; W365-L446 HydrophobicContact CH2-CG 3.93Å; W365-L446 HydrophobicContact CZ2-CD1 4.3Å; W365-L446 HydrophobicContact CZ3-CD1 4.06Å; W365-L446 HydrophobicContact CZ3-CD2 3.74Å; W365-L446 HydrophobicContact CZ3-CG 4.41Å; F425-L446 HydrophobicContact CE1-CB 3.75Å; F425-L446 HydrophobicContact CZ-CB 3.93Å; F425-L446 HydrophobicContact CZ-CD1 4.44Å; L429-L446 HydrophobicContact CD1-CD1 3.56Å; L437-L446 HydrophobicContact CD1-CD1 4.28Å; N442-L446 WeakPolarHBondContact O-CB 3.38Å; N442-L446 VanDerWaalsContact O-CG 3.25Å; N442-L446 WeakPolarHBondContact O-CG 3.29Å; N442-L446 PolarHBondContact O-N 3.35Å; L443-L446 PolarHBondContact O-N 3.1Å; E444-L446 PolarHBondContact O-N 2.57Å; L446-A449 PolarHBondContact O-N 2.62Å; L446-L450 WeakPolarHBondContact O-CB 3.36Å; L446-L450 PolarHBondContact O-N 3.11Å; L446-L468 HydrophobicContact CB-CD2 4.49Å; L446-L468 HydrophobicContact CD2-CD2 4.2Å; L446-L468 HydrophobicContact CD2-CG 4.25Å; L446-L468 VanDerWaalsContact O-CD2 3.24Å; L446-L468 WeakPolarHBondContact O-CD2 2.75Å
447	W	92.6	Very high	89.8	Confident	7 Å²	7	42.9 Å²	42.9	3%	0.027	22%	0.22	C	C	.	.	H	α-helix	trans	-60.5	-49.1	177.9	179.5	-106.6	0	0	0	111.3	K418 T421 R422 F425 L443 E444 A449 L450 E451 M460	K418-W447 HydrophobicContact CD-CZ2 4.35Å; K418-W447 HydrophobicContact CG-CH2 4.23Å; K418-W447 HydrophobicContact CG-CZ2 3.73Å; T421-W447 HydrophobicContact CG2-CH2 4.2Å; T421-W447 HydrophobicContact CG2-CZ3 4.27Å; R422-W447 VanDerWaalsContact CA-CZ3 3.41Å; R422-W447 HydrophobicContact CB-CD2 4.13Å; R422-W447 HydrophobicContact CB-CE3 3.77Å; R422-W447 HydrophobicContact CB-CH2 3.68Å; R422-W447 HydrophobicContact CB-CZ2 4.04Å; R422-W447 HydrophobicContact CB-CZ3 3.55Å; R422-W447 HydrophobicContact CG-CD2 3.83Å; R422-W447 HydrophobicContact CG-CE3 3.71Å; R422-W447 HydrophobicContact CG-CG 4.4Å; R422-W447 HydrophobicContact CG-CH2 4.44Å; R422-W447 HydrophobicContact CG-CZ3 4.05Å; F425-W447 HydrophobicContact CD1-CE3 4.32Å; L443-W447 WeakPolarHBondContact O-CB 3.43Å; L443-W447 PolarHBondContact O-N 3.23Å; E444-W447 PolarHBondContact O-N 2.69Å; W447-A449 VanDerWaalsContact C-N 3.29Å; W447-A449 PolarHBondContact O-N 3.4Å; W447-L450 HydrophobicContact CE3-CD2 4.22Å; W447-L450 HydrophobicContact CZ3-CD2 4.02Å; W447-L450 WeakPolarHBondContact O-CB 3.06Å; W447-L450 PolarHBondContact O-N 3.27Å; W447-E451 HydrophobicContact CD2-CG 4.33Å; W447-E451 HydrophobicContact CZ2-CG 3.84Å; W447-E451 PolarHBondContact NE1-OE2 2.9Å; W447-E451 WeakPolarHBondContact O-CG 3.32Å; W447-E451 PolarHBondContact O-N 2.86Å; W447-M460 HydrophobicContact CH2-CE 4.14Å; W447-M460 HydrophobicContact CH2-SD 4.22Å; W447-M460 HydrophobicContact CZ3-SD 4.29Å
448	N	92.2	Very high	89.4	Confident	66 Å²	66	43 Å²	43	35%	0.353	22%	0.224	S	C	.	.	H	α-helix	trans	-61	-39	176.8	-73.3	-49.2	0	0	0	112.3	E444 L445 A452	E444-N448 WeakPolarHBondContact O-CB 3.18Å; E444-N448 VanDerWaalsContact O-CG 3.27Å; E444-N448 PolarHBondContact O-N 3.2Å; E444-N448 PolarHBondContact O-ND2 3.49Å; L445-N448 PolarHBondContact O-N 2.9Å; N448-A452 WeakPolarHBondContact O-CB 3.1Å; N448-A452 PolarHBondContact O-N 2.83Å
449	A	93.1	Very high	89.4	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.3	-41.5	176.9	0	0	0	0	0	111.7	I350 L358 L445 L446 W447 A452 H453 L468	I350-A449 VanDerWaalsContact CD1-CA 3.45Å; I350-A449 HydrophobicContact CD1-CB 3.39Å; L358-A449 HydrophobicContact CD2-CB 4.38Å; L445-A449 VanDerWaalsContact O-CB 3.26Å; L445-A449 WeakPolarHBondContact O-CB 3.34Å; L445-A449 PolarHBondContact O-N 3.04Å; L446-A449 PolarHBondContact O-N 2.62Å; W447-A449 VanDerWaalsContact C-N 3.29Å; W447-A449 PolarHBondContact O-N 3.4Å; A449-A452 PolarHBondContact O-N 3.31Å; A449-H453 PolarHBondContact O-N 3.29Å; A449-H453 VanDerWaalsContact O-N 3.14Å; A449-H453 PolarHBondContact O-ND1 3.38Å; A449-L468 HydrophobicContact CB-CD1 3.64Å; A449-L468 HydrophobicContact CB-CD2 4.09Å; A449-L468 HydrophobicContact CB-CG 4.48Å
450	L	92.6	Very high	89.5	Confident	1 Å²	1	32.8 Å²	32.8	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-63.8	-46.3	176.8	-176.3	61	0	0	0	111.2	F425 L446 W447 A452 H453 S454 M460 D464 Y465 L468	F425-L450 HydrophobicContact CD1-CD2 4.19Å; F425-L450 HydrophobicContact CD2-CD2 4.31Å; F425-L450 HydrophobicContact CE1-CD2 4.36Å; F425-L450 HydrophobicContact CE2-CD2 4.49Å; F425-L450 HydrophobicContact CG-CD2 4.15Å; L446-L450 WeakPolarHBondContact O-CB 3.36Å; L446-L450 PolarHBondContact O-N 3.11Å; W447-L450 HydrophobicContact CE3-CD2 4.22Å; W447-L450 HydrophobicContact CZ3-CD2 4.02Å; W447-L450 WeakPolarHBondContact O-CB 3.06Å; W447-L450 PolarHBondContact O-N 3.27Å; L450-A452 VanDerWaalsContact C-N 3.28Å; L450-A452 PolarHBondContact O-N 3.32Å; L450-H453 PolarHBondContact O-N 2.82Å; L450-S454 WeakPolarHBondContact O-CB 3.39Å; L450-S454 PolarHBondContact O-N 2.81Å; L450-M460 HydrophobicContact CD1-SD 4.32Å; L450-M460 HydrophobicContact CD2-SD 3.62Å; L450-M460 HydrophobicContact CG-SD 3.53Å; L450-M460 VanDerWaalsContact CG-SD 3.53Å; L450-D464 HydrophobicContact CD1-CB 3.87Å; L450-Y465 HydrophobicContact CD1-CD1 3.75Å; L450-Y465 HydrophobicContact CD1-CE1 4.22Å; L450-Y465 HydrophobicContact CD2-CD1 3.57Å; L450-Y465 HydrophobicContact CD2-CE1 3.6Å; L450-Y465 HydrophobicContact CG-CD1 4.3Å; L450-Y465 HydrophobicContact CG-CE1 4.46Å; L450-L468 HydrophobicContact CB-CD2 3.64Å; L450-L468 HydrophobicContact CD1-CD2 4.36Å
451	E	92	Very high	89.7	Confident	43 Å²	43	28.3 Å²	28.3	20%	0.201	15%	0.146	C	C	.	.	H	α-helix	trans	-56.2	-44.5	175.2	-69.8	-150.4	86.4	0	0	111.1	W261 K418 W447 H453 S454 M460	W261-E451 PolarHBondContact NE1-O 3.17Å; K418-E451 VanDerWaalsContact CE-CD 3.45Å; K418-E451 WeakPolarHBondContact CE-OE1 3.4Å; K418-E451 WeakPolarHBondContact CE-OE2 3.5Å; K418-E451 VanDerWaalsContact NZ-CD 3.25Å; K418-E451 IonicContact NZ-OE1 2.89Å; K418-E451 PolarHBondContact NZ-OE1 3.41Å; K418-E451 IonicContact NZ-OE2 2.69Å; K418-E451 PolarHBondContact NZ-OE2 3.04Å; W447-E451 HydrophobicContact CD2-CG 4.33Å; W447-E451 HydrophobicContact CZ2-CG 3.84Å; W447-E451 PolarHBondContact NE1-OE2 2.9Å; W447-E451 WeakPolarHBondContact O-CG 3.32Å; W447-E451 PolarHBondContact O-N 2.86Å; E451-H453 PolarHBondContact O-N 2.97Å; E451-S454 PolarHBondContact O-OG 3.1Å; E451-M460 HydrophobicContact CG-CE 4.03Å
452	A	92.5	Very high	89.6	Confident	17 Å²	17	22.4 Å²	22.4	14%	0.14	12%	0.118	C	C	.	.	H	α-helix	trans	-63.5	-35.5	179.7	0	0	0	0	0	113.8	L349 I350 N448 A449 L450	L349-A452 HydrophobicContact CB-CB 4.47Å; I350-A452 HydrophobicContact CD1-CB 4.41Å; I350-A452 HydrophobicContact CG1-CB 3.66Å; N448-A452 WeakPolarHBondContact O-CB 3.1Å; N448-A452 PolarHBondContact O-N 2.83Å; A449-A452 PolarHBondContact O-N 3.31Å; L450-A452 VanDerWaalsContact C-N 3.28Å; L450-A452 PolarHBondContact O-N 3.32Å
453	H	92.1	Very high	89.3	Confident	58 Å²	58	22.9 Å²	22.9	27%	0.269	13%	0.125	S	C	.	.	H	α-helix	trans	-88.9	-23.4	-178.4	-69.4	96	0	0	0	114	R307 I350 A449 L450 E451 G455	R307-H453 PolarHBondContact NH1-O 3.3Å; I350-H453 WeakPolarHBondContact CD1-CE1 3.39Å; A449-H453 PolarHBondContact O-N 3.29Å; A449-H453 VanDerWaalsContact O-N 3.14Å; A449-H453 PolarHBondContact O-ND1 3.38Å; L450-H453 PolarHBondContact O-N 2.82Å; E451-H453 PolarHBondContact O-N 2.97Å; H453-G455 PolarHBondContact O-N 2.93Å
454	S	90.7	Very high	89.3	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.5	-45	-174	64	0	0	0	0	112.8	W261 R307 L450 E451 Y456	W261-S454 WeakPolarHBondContact CZ2-OG 3.31Å; R307-S454 VanDerWaalsContact CD-O 3.25Å; R307-S454 WeakPolarHBondContact CD-O 3.37Å; R307-S454 PolarHBondContact NH1-O 3.41Å; R307-S454 VanDerWaalsContact NH1-O 3.12Å; L450-S454 WeakPolarHBondContact O-CB 3.39Å; L450-S454 PolarHBondContact O-N 2.81Å; E451-S454 PolarHBondContact O-OG 3.1Å; S454-Y456 VanDerWaalsContact C-N 3.29Å; S454-Y456 WeakPolarHBondContact O-CD1 3.46Å; S454-Y456 WeakPolarHBondContact O-CE1 3.25Å; S454-Y456 PolarHBondContact O-N 3.41Å
455	G	89.9	Confident	89.2	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.109	C	C	.	.			trans	81.2	-2.4	177.7	0	0	0	0	0	115.7	W261 V305 H453	W261-G455 VanDerWaalsContact CD2-CA 3.49Å; W261-G455 VanDerWaalsContact CE3-C 3.43Å; W261-G455 VanDerWaalsContact CG-CA 3.48Å; V305-G455 WeakPolarHBondContact CB-O 3.45Å; V305-G455 WeakPolarHBondContact CG1-O 3.48Å; H453-G455 PolarHBondContact O-N 2.93Å
456	Y	89.6	Confident	89.2	Confident	3 Å²	3	19 Å²	19	1%	0.012	11%	0.106	C	C	.	.	S	Bend	trans	-153.8	155.1	-177.5	60.1	-84.2	0	0	0	111.7	F192 W261 H301 T302 S454 I459 M460 N461	F192-Y456 AromaticContact CE1-CE1 3.85Å; F192-Y456 HydrophobicContact CE1-CE1 3.85Å; F192-Y456 AromaticContact CE1-CZ 3.93Å; F192-Y456 WeakPolarHBondContact CE1-OH 3.45Å; F192-Y456 AromaticContact CZ-CE1 3.93Å; F192-Y456 HydrophobicContact CZ-CE1 3.93Å; F192-Y456 HydrophobicContact CZ-CE2 4.4Å; F192-Y456 AromaticContact CZ-CZ 3.61Å; F192-Y456 WeakPolarHBondContact CZ-OH 3.05Å; W261-Y456 WeakPolarHBondContact CH2-O 3.45Å; H301-Y456 AromaticContact CD2-CE2 3.89Å; H301-Y456 AromaticContact NE2-CE2 3.5Å; H301-Y456 WeakPolarHBondContact NE2-CE2 3.36Å; T302-Y456 HydrophobicContact CG2-CD1 3.72Å; T302-Y456 HydrophobicContact CG2-CD2 4.35Å; T302-Y456 HydrophobicContact CG2-CE1 4.06Å; T302-Y456 HydrophobicContact CG2-CG 3.91Å; T302-Y456 WeakPolarHBondContact O-CB 3.37Å; S454-Y456 VanDerWaalsContact C-N 3.29Å; S454-Y456 WeakPolarHBondContact O-CD1 3.46Å; S454-Y456 WeakPolarHBondContact O-CE1 3.25Å; S454-Y456 PolarHBondContact O-N 3.41Å; Y456-I459 WeakPolarHBondContact CE2-O 3.42Å; Y456-M460 WeakPolarHBondContact OH-CA 3.49Å; Y456-N461 PolarHBondContact OH-N 2.96Å; Y456-N461 VanDerWaalsContact OH-N 3.09Å
457	N	83.4	Confident	89.1	Confident	104 Å²	104	20.2 Å²	20.2	56%	0.556	12%	0.115	S	C	*	.	S	Bend	trans	-82.4	141.3	174.4	-78.1	-31.2	0	0	0	109.9	W261 L414	W261-N457 HydrophobicContact CH2-CB 4.47Å; W261-N457 WeakPolarHBondContact CH2-OD1 3.26Å; L414-N457 HydrophobicContact CD1-CB 3.76Å; L414-N457 HydrophobicContact CD2-CB 3.99Å
458	G	79.8	Confident	89.1	Confident	14 Å²	14	20.4 Å²	20.4	14%	0.144	12%	0.116	C	C	.	.	S	Bend	trans	120.7	-147.5	174.1	0	0	0	0	0	112.4	M460	G458-M460 PolarHBondContact O-N 2.82Å
459	I	83	Confident	89.1	Confident	7 Å²	7	17.3 Å²	17.3	4%	0.036	10%	0.099	C	C	.	.			trans	-81	112.9	-174.9	-62.8	157.4	0	0	0	109	I197 H301 I390 M397 K417 Y456	I197-I459 HydrophobicContact CD1-CG2 4.16Å; I197-I459 HydrophobicContact CG1-CG2 4.2Å; I197-I459 HydrophobicContact CG2-CB 3.89Å; I197-I459 HydrophobicContact CG2-CD1 3.73Å; I197-I459 HydrophobicContact CG2-CG1 4.45Å; I197-I459 HydrophobicContact CG2-CG2 3.79Å; H301-I459 PolarHBondContact CE1-O 3.26Å; H301-I459 VanDerWaalsContact CE1-O 3.28Å; H301-I459 PolarHBondContact NE2-O 2.93Å; I390-I459 HydrophobicContact CD1-CG2 4.46Å; M397-I459 HydrophobicContact CB-CD1 3.55Å; M397-I459 HydrophobicContact CE-CB 4.18Å; M397-I459 HydrophobicContact CE-CD1 3.67Å; M397-I459 HydrophobicContact CE-CG1 3.86Å; M397-I459 HydrophobicContact CE-CG2 3.29Å; M397-I459 HydrophobicContact CG-CD1 4.03Å; M397-I459 HydrophobicContact SD-CB 4.43Å; M397-I459 HydrophobicContact SD-CD1 3.35Å; M397-I459 WeakPolarHBondContact SD-CD1 3.4Å; M397-I459 HydrophobicContact SD-CG1 3.52Å; M397-I459 VanDerWaalsContact SD-CG1 3.52Å; M397-I459 HydrophobicContact SD-CG2 4.09Å; K417-I459 HydrophobicContact CB-CG1 4.28Å; K417-I459 HydrophobicContact CD-CD1 4.49Å; K417-I459 HydrophobicContact CD-CG1 4.49Å; K417-I459 HydrophobicContact CG-CD1 4.46Å; K417-I459 HydrophobicContact CG-CG1 4.3Å; Y456-I459 WeakPolarHBondContact CE2-O 3.42Å
460	M	87.5	Confident	89.2	Confident	6 Å²	6	17.3 Å²	17.3	3%	0.03	10%	0.099	C	C	.	.			trans	-73.3	147	178.1	-64.2	168.8	-175.3	0	0	111	T421 W447 L450 E451 Y456 G458 Y465	T421-M460 HydrophobicContact CG2-CB 3.68Å; T421-M460 HydrophobicContact CG2-CG 3.87Å; T421-M460 HydrophobicContact CG2-SD 3.91Å; W447-M460 HydrophobicContact CH2-CE 4.14Å; W447-M460 HydrophobicContact CH2-SD 4.22Å; W447-M460 HydrophobicContact CZ3-SD 4.29Å; L450-M460 HydrophobicContact CD1-SD 4.32Å; L450-M460 HydrophobicContact CD2-SD 3.62Å; L450-M460 HydrophobicContact CG-SD 3.53Å; L450-M460 VanDerWaalsContact CG-SD 3.53Å; E451-M460 HydrophobicContact CG-CE 4.03Å; Y456-M460 WeakPolarHBondContact OH-CA 3.49Å; G458-M460 PolarHBondContact O-N 2.82Å; M460-Y465 HydrophobicContact CB-CE1 3.55Å; M460-Y465 PolarHBondContact O-OH 2.87Å; M460-Y465 VanDerWaalsContact O-OH 3.06Å
461	N	86.1	Confident	89	Confident	4 Å²	4	17.7 Å²	17.7	2%	0.021	10%	0.104	C	C	.	.			trans	-80.6	137.2	178.8	-167.8	-79.1	0	0	0	110.1	F192 N193 Y456 A463 D464	F192-N461 HydrophobicContact CB-CB 4.2Å; F192-N461 HydrophobicContact CD1-CB 3.84Å; F192-N461 HydrophobicContact CD2-CB 3.64Å; F192-N461 WeakPolarHBondContact CD2-ND2 3.37Å; F192-N461 HydrophobicContact CE1-CB 4.06Å; F192-N461 HydrophobicContact CE2-CB 3.84Å; F192-N461 HydrophobicContact CG-CB 3.62Å; F192-N461 HydrophobicContact CZ-CB 4.06Å; N193-N461 PolarHBondContact O-ND2 3.33Å; Y456-N461 PolarHBondContact OH-N 2.96Å; Y456-N461 VanDerWaalsContact OH-N 3.09Å; N461-A463 PolarHBondContact O-N 3.45Å; N461-A463 VanDerWaalsContact O-N 3.12Å; N461-A463 WeakPolarHBondContact OD1-CB 3.21Å; N461-A463 PolarHBondContact OD1-N 3.16Å; N461-D464 WeakPolarHBondContact O-CB 3.5Å; N461-D464 PolarHBondContact O-N 3.46Å
462	F	86.9	Confident	88.8	Confident	13 Å²	13	19.1 Å²	19.1	6%	0.057	11%	0.111	C	C	.	.	H	α-helix	trans	-62.8	-19.6	179.8	55.2	-104.9	0	0	0	114.1	H383 Y386 R387 I390 D464 Y465 I466	H383-F462 AromaticContact CD2-CE2 3.79Å; H383-F462 AromaticContact CE1-CD2 3.41Å; H383-F462 VanDerWaalsContact CE1-CD2 3.41Å; H383-F462 WeakPolarHBondContact CE1-CD2 3.24Å; H383-F462 AromaticContact CE1-CE2 3.18Å; H383-F462 WeakPolarHBondContact CE1-CE2 3.38Å; H383-F462 AromaticContact ND1-CD2 3.73Å; H383-F462 AromaticContact ND1-CE2 3.93Å; H383-F462 AromaticContact NE2-CD2 3.66Å; H383-F462 AromaticContact NE2-CE2 3.06Å; H383-F462 WeakPolarHBondContact NE2-CE2 3.41Å; H383-F462 AromaticContact NE2-CZ 3.97Å; Y386-F462 VanDerWaalsContact CB-CB 3.42Å; Y386-F462 HydrophobicContact CD2-CB 4.25Å; Y386-F462 HydrophobicContact CG-CB 4.08Å; R387-F462 HydrophobicContact CB-CD1 4.18Å; R387-F462 HydrophobicContact CB-CE1 3.76Å; R387-F462 HydrophobicContact CB-CZ 4.07Å; R387-F462 HydrophobicContact CG-CE1 3.84Å; R387-F462 HydrophobicContact CG-CZ 4.05Å; I390-F462 HydrophobicContact CD1-CD1 3.86Å; F462-D464 PolarHBondContact O-N 3.35Å; F462-Y465 HydrophobicContact CB-CD2 3.89Å; F462-Y465 HydrophobicContact CB-CE2 4.18Å; F462-Y465 HydrophobicContact CB-CG 4.4Å; F462-Y465 WeakPolarHBondContact O-CB 3.12Å; F462-Y465 PolarHBondContact O-N 2.77Å; F462-Y465 VanDerWaalsContact O-N 3.09Å; F462-I466 WeakPolarHBondContact O-CG1 3.47Å; F462-I466 PolarHBondContact O-N 3.03Å
463	A	84.6	Confident	88.7	Confident	28 Å²	28	18.7 Å²	18.7	23%	0.231	11%	0.106	C	C	.	.	H	α-helix	trans	-59.3	-37.3	170.5	0	0	0	0	0	111.1	N461 Y465 S467	N461-A463 PolarHBondContact O-N 3.45Å; N461-A463 VanDerWaalsContact O-N 3.12Å; N461-A463 WeakPolarHBondContact OD1-CB 3.21Å; N461-A463 PolarHBondContact OD1-N 3.16Å; A463-Y465 VanDerWaalsContact C-N 3.31Å; A463-Y465 PolarHBondContact O-N 2.78Å; A463-S467 VanDerWaalsContact O-CB 3.29Å; A463-S467 WeakPolarHBondContact O-CB 3.31Å; A463-S467 PolarHBondContact O-N 3.13Å; A463-S467 PolarHBondContact O-OG 3.39Å; A463-S467 VanDerWaalsContact O-OG 3.1Å
464	D	88.8	Confident	88.5	Confident	26 Å²	26	16.5 Å²	16.5	14%	0.139	10%	0.097	C	C	.	.	H	α-helix	trans	-68.3	-33.2	175.4	-59.2	-31.2	0	0	0	110.8	R307 L450 N461 F462 L468	R307-D464 IonicContact CZ-OD1 3.38Å; R307-D464 IonicContact CZ-OD2 3.14Å; R307-D464 IonicContact NH1-OD1 2.8Å; R307-D464 PolarHBondContact NH1-OD1 2.82Å; R307-D464 IonicContact NH1-OD2 3.28Å; R307-D464 PolarHBondContact NH1-OD2 2.88Å; R307-D464 IonicContact NH2-OD1 3.46Å; R307-D464 PolarHBondContact NH2-OD1 2.94Å; R307-D464 IonicContact NH2-OD2 3.57Å; R307-D464 PolarHBondContact NH2-OD2 3.23Å; L450-D464 HydrophobicContact CD1-CB 3.87Å; N461-D464 WeakPolarHBondContact O-CB 3.5Å; N461-D464 PolarHBondContact O-N 3.46Å; F462-D464 PolarHBondContact O-N 3.35Å; D464-L468 VanDerWaalsContact O-CB 3.24Å; D464-L468 WeakPolarHBondContact O-CB 3.45Å; D464-L468 PolarHBondContact O-N 3.12Å
465	Y	91.4	Very high	88.4	Confident	1 Å²	1	17.2 Å²	17.2	0%	0.004	10%	0.1	C	C	.	.	H	α-helix	trans	-65.3	-50	178.5	-55.6	-5.7	0	0	0	110.6	Y386 T421 I424 F425 L450 M460 F462 A463 L468 V469	Y386-Y465 AromaticContact CD1-CD2 3.78Å; Y386-Y465 HydrophobicContact CD1-CD2 3.78Å; Y386-Y465 HydrophobicContact CD1-CE2 4.16Å; Y386-Y465 HydrophobicContact CD2-CD2 4.02Å; Y386-Y465 AromaticContact CE1-CD2 3.9Å; Y386-Y465 HydrophobicContact CE1-CD2 3.9Å; Y386-Y465 HydrophobicContact CE1-CE2 4.49Å; Y386-Y465 HydrophobicContact CE2-CD2 4.13Å; Y386-Y465 AromaticContact CG-CD2 3.85Å; Y386-Y465 HydrophobicContact CG-CD2 3.85Å; Y386-Y465 HydrophobicContact CG-CE2 4.43Å; T421-Y465 HydrophobicContact CG2-CE1 4.49Å; T421-Y465 WeakPolarHBondContact CG2-OH 3.31Å; I424-Y465 HydrophobicContact CG2-CE2 4.37Å; F425-Y465 HydrophobicContact CB-CD2 4.37Å; F425-Y465 HydrophobicContact CB-CE2 4.27Å; F425-Y465 HydrophobicContact CD2-CD1 4.05Å; F425-Y465 AromaticContact CD2-CD2 3.84Å; F425-Y465 HydrophobicContact CD2-CD2 3.84Å; F425-Y465 AromaticContact CD2-CG 3.59Å; F425-Y465 HydrophobicContact CD2-CG 3.59Å; F425-Y465 HydrophobicContact CE2-CG 4.13Å; F425-Y465 HydrophobicContact CG-CG 4.5Å; L450-Y465 HydrophobicContact CD1-CD1 3.75Å; L450-Y465 HydrophobicContact CD1-CE1 4.22Å; L450-Y465 HydrophobicContact CD2-CD1 3.57Å; L450-Y465 HydrophobicContact CD2-CE1 3.6Å; L450-Y465 HydrophobicContact CG-CD1 4.3Å; L450-Y465 HydrophobicContact CG-CE1 4.46Å; M460-Y465 HydrophobicContact CB-CE1 3.55Å; M460-Y465 PolarHBondContact O-OH 2.87Å; M460-Y465 VanDerWaalsContact O-OH 3.06Å; F462-Y465 HydrophobicContact CB-CD2 3.89Å; F462-Y465 HydrophobicContact CB-CE2 4.18Å; F462-Y465 HydrophobicContact CB-CG 4.4Å; F462-Y465 WeakPolarHBondContact O-CB 3.12Å; F462-Y465 PolarHBondContact O-N 2.77Å; F462-Y465 VanDerWaalsContact O-N 3.09Å; A463-Y465 VanDerWaalsContact C-N 3.31Å; A463-Y465 PolarHBondContact O-N 2.78Å; Y465-L468 PolarHBondContact O-N 3.26Å; Y465-V469 WeakPolarHBondContact O-CG2 3.42Å; Y465-V469 PolarHBondContact O-N 3.31Å
466	I	92.4	Very high	88.1	Confident	2 Å²	2	18.6 Å²	18.6	1%	0.01	11%	0.106	C	C	.	.	H	α-helix	trans	-67.6	-44.7	-176.3	-64.4	-66.9	0	0	0	110	Y379 L382 H383 Y386 F462 L468 V469 F470	Y379-I466 HydrophobicContact CE1-CG2 3.7Å; Y379-I466 HydrophobicContact CE2-CG2 3.77Å; Y379-I466 WeakPolarHBondContact OH-CG2 3.19Å; L382-I466 HydrophobicContact CB-CD1 4.1Å; L382-I466 HydrophobicContact CD2-CD1 3.61Å; L382-I466 HydrophobicContact CG-CD1 3.61Å; H383-I466 HydrophobicContact CB-CD1 4.48Å; H383-I466 HydrophobicContact CB-CG1 4.43Å; Y386-I466 HydrophobicContact CD2-CD1 3.91Å; Y386-I466 HydrophobicContact CD2-CG1 4.28Å; Y386-I466 HydrophobicContact CE2-CD1 3.77Å; Y386-I466 HydrophobicContact CE2-CG1 4.41Å; F462-I466 WeakPolarHBondContact O-CG1 3.47Å; F462-I466 PolarHBondContact O-N 3.03Å; I466-L468 VanDerWaalsContact C-N 3.26Å; I466-L468 PolarHBondContact O-N 3.33Å; I466-V469 PolarHBondContact O-N 3.46Å; I466-F470 HydrophobicContact CG2-CD2 4.33Å; I466-F470 PolarHBondContact O-N 3.21Å
467	S	90.1	Very high	88.1	Confident	25 Å²	25	18.5 Å²	18.5	18%	0.175	11%	0.106	C	C	.	.	H	α-helix	trans	-64.2	-30.5	175.9	-68.9	0	0	0	0	112.6	A463 G471 Q550	A463-S467 VanDerWaalsContact O-CB 3.29Å; A463-S467 WeakPolarHBondContact O-CB 3.31Å; A463-S467 PolarHBondContact O-N 3.13Å; A463-S467 PolarHBondContact O-OG 3.39Å; A463-S467 VanDerWaalsContact O-OG 3.1Å; S467-G471 CarbonylContact O-C 3.52Å; S467-G471 VanDerWaalsContact O-C 3.3Å; S467-G471 WeakPolarHBondContact O-CA 3.43Å; S467-G471 PolarHBondContact O-N 3.21Å; S467-Q550 PolarHBondContact OG-NE2 2.95Å; S467-Q550 VanDerWaalsContact OG-NE2 3.13Å
468	L	92.4	Very high	88.6	Confident	11 Å²	11	13.7 Å²	13.7	6%	0.058	8%	0.08	C	C	.	.	H	α-helix	trans	-69.6	-44.7	173	179.3	66.8	0	0	0	112.1	L358 Q362 F425 L446 A449 L450 D464 Y465 I466	L358-L468 HydrophobicContact CD1-CD1 4.13Å; L358-L468 HydrophobicContact CD2-CD1 3.72Å; Q362-L468 PolarHBondContact NE2-O 2.99Å; F425-L468 HydrophobicContact CZ-CD2 4.14Å; L446-L468 HydrophobicContact CB-CD2 4.49Å; L446-L468 HydrophobicContact CD2-CD2 4.2Å; L446-L468 HydrophobicContact CD2-CG 4.25Å; L446-L468 VanDerWaalsContact O-CD2 3.24Å; L446-L468 WeakPolarHBondContact O-CD2 2.75Å; A449-L468 HydrophobicContact CB-CD1 3.64Å; A449-L468 HydrophobicContact CB-CD2 4.09Å; A449-L468 HydrophobicContact CB-CG 4.48Å; L450-L468 HydrophobicContact CB-CD2 3.64Å; L450-L468 HydrophobicContact CD1-CD2 4.36Å; D464-L468 VanDerWaalsContact O-CB 3.24Å; D464-L468 WeakPolarHBondContact O-CB 3.45Å; D464-L468 PolarHBondContact O-N 3.12Å; Y465-L468 PolarHBondContact O-N 3.26Å; I466-L468 VanDerWaalsContact C-N 3.26Å; I466-L468 PolarHBondContact O-N 3.33Å
469	V	92.9	Very high	89.1	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-72.9	-42.5	-175.5	172.6	0	0	0	0	111.8	Q362 W365 F425 L429 L434 Y465 I466	Q362-V469 WeakPolarHBondContact CG-O 3.37Å; W365-V469 HydrophobicContact CE3-CB 4.48Å; W365-V469 HydrophobicContact CE3-CG1 3.71Å; W365-V469 HydrophobicContact CZ3-CG1 4.12Å; F425-V469 HydrophobicContact CE2-CG2 4.19Å; F425-V469 HydrophobicContact CZ-CG2 4.45Å; L429-V469 HydrophobicContact CD2-CG1 4.36Å; L429-V469 HydrophobicContact CD2-CG2 3.53Å; L434-V469 HydrophobicContact CD1-CG1 3.73Å; Y465-V469 WeakPolarHBondContact O-CG2 3.42Å; Y465-V469 PolarHBondContact O-N 3.31Å; I466-V469 PolarHBondContact O-N 3.46Å
470	F	94.3	Very high	89.5	Confident	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-112.4	0.6	-174.2	-65.6	-65	0	0	0	113.3	W365 R366 L369 Y379 L382 F432 L434 I466 T554	W365-F470 HydrophobicContact CB-CE1 4.18Å; R366-F470 HydrophobicContact CG-CD1 4.22Å; R366-F470 PolarHBondContact NE-O 3.2Å; R366-F470 PolarHBondContact NH2-O 3.41Å; L369-F470 HydrophobicContact CB-CE1 4.14Å; L369-F470 HydrophobicContact CD2-CD1 4.18Å; L369-F470 HydrophobicContact CD2-CE1 4Å; L369-F470 HydrophobicContact CD2-CZ 4.41Å; Y379-F470 HydrophobicContact CD2-CB 4.44Å; Y379-F470 AromaticContact CD2-CD2 3.67Å; Y379-F470 HydrophobicContact CD2-CD2 3.67Å; Y379-F470 HydrophobicContact CD2-CE2 4.05Å; Y379-F470 HydrophobicContact CD2-CG 4.03Å; Y379-F470 HydrophobicContact CE2-CB 3.71Å; Y379-F470 AromaticContact CE2-CD2 3.5Å; Y379-F470 HydrophobicContact CE2-CD2 3.5Å; Y379-F470 HydrophobicContact CE2-CE2 4.33Å; Y379-F470 AromaticContact CE2-CG 3.75Å; Y379-F470 HydrophobicContact CE2-CG 3.75Å; L382-F470 HydrophobicContact CD2-CE2 3.89Å; F432-F470 HydrophobicContact CD1-CZ 4.31Å; F432-F470 HydrophobicContact CE1-CE2 4.38Å; F432-F470 AromaticContact CE1-CZ 3.7Å; F432-F470 HydrophobicContact CE1-CZ 3.7Å; F432-F470 HydrophobicContact CZ-CZ 4.39Å; L434-F470 HydrophobicContact CD2-CZ 4.34Å; I466-F470 HydrophobicContact CG2-CD2 4.33Å; I466-F470 PolarHBondContact O-N 3.21Å; F470-T554 HydrophobicContact CB-CG2 4.3Å; F470-T554 HydrophobicContact CD1-CG2 4.4Å
471	G	89.1	Confident	89.9	Confident	10 Å²	10	16.4 Å²	16.4	10%	0.103	9%	0.094	C	C	.	.			trans	77.4	160.9	-175.3	0	0	0	0	0	113.2	S467 Q550	S467-G471 CarbonylContact O-C 3.52Å; S467-G471 VanDerWaalsContact O-C 3.3Å; S467-G471 WeakPolarHBondContact O-CA 3.43Å; S467-G471 PolarHBondContact O-N 3.21Å; G471-Q550 PolarHBondContact O-NE2 3.3Å
472	E	87.8	Confident	90.3	Very high	73 Å²	73	17.5 Å²	17.5	34%	0.341	10%	0.098	S	C	.	.	P	Polyproline II helix	trans	-78.6	160.5	177.4	-67.1	-166	-172.3	0	0	112.8	R188 P474	R188-E472 IonicContact NH2-OE2 3.86Å; R188-E472 PolarHBondContact NH2-OE2 2.83Å; E472-P474 WeakPolarHBondContact O-CD 3.26Å
473	L	90.6	Very high	90.6	Very high	7 Å²	7	22.8 Å²	22.8	4%	0.037	12%	0.121	C	C	.	.	P	Polyproline II helix	trans	-65.1	123.8	167.5	-177.3	68	0	0	0	109	H477 R478 V481 E546 Q550 S553 F599	L473-H477 HydrophobicContact CD1-CB 3.67Å; L473-H477 HydrophobicContact CG-CB 3.94Å; L473-R478 HydrophobicContact CD2-CB 3.84Å; L473-R478 HydrophobicContact CD2-CG 4.26Å; L473-R478 HydrophobicContact CG-CB 4.18Å; L473-V481 HydrophobicContact CD2-CG2 4.14Å; L473-E546 HydrophobicContact CD2-CG 4.19Å; L473-Q550 HydrophobicContact CB-CB 4.27Å; L473-Q550 HydrophobicContact CB-CG 4.16Å; L473-S553 VanDerWaalsContact CD1-CB 3.5Å; L473-F599 HydrophobicContact CD1-CZ 4.25Å
474	P	87.3	Confident	91.2	Very high	12 Å²	12	21.4 Å²	21.4	8%	0.078	11%	0.11	C	C	.	.	P	Polyproline II helix	trans	-53	142.1	176.9	-26.9	34.9	0	0	0	112.3	E472 F476 H477 R478 Y586	E472-P474 WeakPolarHBondContact O-CD 3.26Å; P474-F476 VanDerWaalsContact C-N 3.27Å; P474-F476 HydrophobicContact CB-CD1 3.74Å; P474-F476 HydrophobicContact CB-CE1 3.34Å; P474-F476 HydrophobicContact CB-CZ 4.11Å; P474-F476 HydrophobicContact CG-CE1 4.21Å; P474-F476 PolarHBondContact O-N 3.23Å; P474-H477 HydrophobicContact CB-CB 4.47Å; P474-H477 WeakPolarHBondContact O-CB 3.45Å; P474-H477 PolarHBondContact O-N 3.23Å; P474-H477 VanDerWaalsContact O-N 3.11Å; P474-R478 WeakPolarHBondContact O-CB 3.39Å; P474-R478 PolarHBondContact O-N 3.01Å; P474-Y586 HydrophobicContact CB-CE1 3.97Å; P474-Y586 HydrophobicContact CG-CE1 3.87Å
475	E	88.3	Confident	91.6	Very high	15 Å²	15	20.2 Å²	20.2	7%	0.07	10%	0.103	C	C	.	.	H	α-helix	trans	-63.5	-30.7	-171.1	-76.8	-61.4	142.1	0	0	113.9	R188 L309 T311 R478 T479 F587	R188-E475 IonicContact CZ-OE1 2.69Å; R188-E475 IonicContact NE-OE1 3.57Å; R188-E475 PolarHBondContact NE-OE1 3.07Å; R188-E475 IonicContact NE-OE2 3.53Å; R188-E475 IonicContact NH2-OE1 3.82Å; R188-E475 PolarHBondContact NH2-OE1 2.86Å; L309-E475 WeakPolarHBondContact CD2-OE1 3.49Å; T311-E475 HydrophobicContact CG2-CG 4.3Å; E475-R478 PolarHBondContact O-N 3.14Å; E475-R478 IonicContact OE2-NH1 2.78Å; E475-T479 WeakPolarHBondContact O-CB 3.34Å; E475-T479 PolarHBondContact O-N 3.49Å; E475-T479 PolarHBondContact O-OG1 2.63Å; E475-F587 HydrophobicContact CB-CD1 4.32Å; E475-F587 HydrophobicContact CB-CE1 4.04Å; E475-F587 HydrophobicContact CB-CZ 4.22Å; E475-F587 WeakPolarHBondContact CB-O 3.49Å; E475-F587 HydrophobicContact CG-CD1 4.02Å; E475-F587 HydrophobicContact CG-CD2 4.27Å; E475-F587 HydrophobicContact CG-CE1 3.32Å; E475-F587 HydrophobicContact CG-CE2 3.62Å; E475-F587 HydrophobicContact CG-CG 4.46Å; E475-F587 HydrophobicContact CG-CZ 3.11Å
476	F	84.2	Confident	91.7	Very high	30 Å²	30	22.7 Å²	22.7	13%	0.132	12%	0.117	C	C	.	.	H	α-helix	trans	-69.2	-42.2	176.4	73.4	-87.2	0	0	0	111.1	P474 T479 L480 Y586 I592 D597 I600	P474-F476 VanDerWaalsContact C-N 3.27Å; P474-F476 HydrophobicContact CB-CD1 3.74Å; P474-F476 HydrophobicContact CB-CE1 3.34Å; P474-F476 HydrophobicContact CB-CZ 4.11Å; P474-F476 HydrophobicContact CG-CE1 4.21Å; P474-F476 PolarHBondContact O-N 3.23Å; F476-T479 WeakPolarHBondContact O-CB 3.46Å; F476-T479 PolarHBondContact O-N 2.93Å; F476-L480 PolarHBondContact O-N 3.31Å; F476-Y586 WeakPolarHBondContact CD1-O 3.28Å; F476-Y586 HydrophobicContact CE1-CE1 4.08Å; F476-Y586 HydrophobicContact CE1-CE2 4.11Å; F476-Y586 AromaticContact CE1-CZ 3.74Å; F476-Y586 HydrophobicContact CZ-CE2 4.36Å; F476-I592 HydrophobicContact CD1-CD1 3.82Å; F476-I592 HydrophobicContact CD2-CD1 3.42Å; F476-I592 VanDerWaalsContact CD2-CD1 3.42Å; F476-I592 HydrophobicContact CE1-CD1 3.61Å; F476-I592 HydrophobicContact CE2-CD1 3.16Å; F476-I592 HydrophobicContact CG-CD1 3.75Å; F476-I592 HydrophobicContact CZ-CD1 3.29Å; F476-D597 VanDerWaalsContact CE2-OD2 3.28Å; F476-D597 WeakPolarHBondContact CE2-OD2 3.28Å; F476-I600 HydrophobicContact CD2-CD1 4.18Å; F476-I600 HydrophobicContact CE2-CD1 4.16Å
477	H	90.3	Very high	91.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.7	-47.9	168.9	-71.6	170.7	0	0	0	111.2	L473 P474 T479 L480 V481 S553 D597 F599	L473-H477 HydrophobicContact CD1-CB 3.67Å; L473-H477 HydrophobicContact CG-CB 3.94Å; P474-H477 HydrophobicContact CB-CB 4.47Å; P474-H477 WeakPolarHBondContact O-CB 3.45Å; P474-H477 PolarHBondContact O-N 3.23Å; P474-H477 VanDerWaalsContact O-N 3.11Å; H477-T479 VanDerWaalsContact C-N 3.27Å; H477-T479 PolarHBondContact O-N 3.5Å; H477-L480 WeakPolarHBondContact O-CB 3.39Å; H477-L480 PolarHBondContact O-N 2.9Å; H477-V481 WeakPolarHBondContact O-CG2 2.99Å; H477-V481 PolarHBondContact O-N 3.41Å; H477-S553 PolarHBondContact CE1-OG 2.93Å; H477-S553 PolarHBondContact ND1-OG 2.75Å; H477-D597 IonicContact CD2-OD2 3.34Å; H477-D597 IonicContact NE2-OD1 2.66Å; H477-D597 IonicContact NE2-OD2 3.19Å; H477-D597 PolarHBondContact NE2-OD2 3.39Å; H477-F599 HydrophobicContact CB-CD1 3.95Å; H477-F599 HydrophobicContact CB-CE1 3.48Å; H477-F599 VanDerWaalsContact CB-CE1 3.48Å; H477-F599 HydrophobicContact CB-CZ 4.02Å; H477-F599 AromaticContact CD2-CD1 3.17Å; H477-F599 WeakPolarHBondContact CD2-CD1 3.46Å; H477-F599 AromaticContact CD2-CE1 3.67Å; H477-F599 AromaticContact CD2-CG 3.87Å; H477-F599 AromaticContact CE1-CD1 3.89Å; H477-F599 AromaticContact CE1-CG 3.81Å; H477-F599 AromaticContact CG-CD1 3.44Å; H477-F599 VanDerWaalsContact CG-CD1 3.44Å; H477-F599 AromaticContact CG-CE1 3.52Å; H477-F599 AromaticContact ND1-CD1 3.86Å; H477-F599 AromaticContact NE2-CD1 3.5Å; H477-F599 WeakPolarHBondContact NE2-CD1 3.4Å; H477-F599 AromaticContact NE2-CG 3.71Å
478	R	92.4	Very high	92	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.015	13%	0.127	C	C	.	.	H	α-helix	trans	-57.5	-40.9	178.2	-172.1	176.4	-179.4	-87.4	-8.1	111.8	A219 L473 P474 E475 L480 V481 K482 E546	A219-R478 PolarHBondContact O-NH2 3.25Å; L473-R478 HydrophobicContact CD2-CB 3.84Å; L473-R478 HydrophobicContact CD2-CG 4.26Å; L473-R478 HydrophobicContact CG-CB 4.18Å; P474-R478 WeakPolarHBondContact O-CB 3.39Å; P474-R478 PolarHBondContact O-N 3.01Å; E475-R478 PolarHBondContact O-N 3.14Å; E475-R478 IonicContact OE2-NH1 2.78Å; R478-L480 VanDerWaalsContact C-N 3.29Å; R478-L480 PolarHBondContact O-N 3.42Å; R478-V481 PolarHBondContact O-N 3.07Å; R478-K482 HydrophobicContact CG-CD 4.34Å; R478-K482 WeakPolarHBondContact O-CB 3.44Å; R478-K482 VanDerWaalsContact O-CG 3.26Å; R478-K482 WeakPolarHBondContact O-CG 3.17Å; R478-K482 PolarHBondContact O-N 3.05Å; R478-E546 WeakPolarHBondContact CD-OE2 3.29Å; R478-E546 WeakPolarHBondContact CG-OE2 3.34Å; R478-E546 IonicContact CZ-OE2 3.93Å; R478-E546 IonicContact NE-OE2 3.97Å; R478-E546 PolarHBondContact NE-OE2 2.87Å; R478-E546 IonicContact NH2-OE2 3.7Å; R478-E546 PolarHBondContact NH2-OE2 2.87Å
479	T	90	Very high	92.1	Very high	67 Å²	67	25.5 Å²	25.5	41%	0.411	13%	0.126	S	C	.	.	H	α-helix	trans	-60.9	-38.9	177.2	-63.6	0	0	0	0	111.7	E475 F476 H477 K483	E475-T479 WeakPolarHBondContact O-CB 3.34Å; E475-T479 PolarHBondContact O-N 3.49Å; E475-T479 PolarHBondContact O-OG1 2.63Å; F476-T479 WeakPolarHBondContact O-CB 3.46Å; F476-T479 PolarHBondContact O-N 2.93Å; H477-T479 VanDerWaalsContact C-N 3.27Å; H477-T479 PolarHBondContact O-N 3.5Å; T479-K483 WeakPolarHBondContact O-CG 3.46Å; T479-K483 PolarHBondContact O-N 3.45Å; T479-K483 VanDerWaalsContact O-N 3.16Å
480	L	91.6	Very high	91.9	Very high	16 Å²	16	30.1 Å²	30.1	8%	0.084	16%	0.156	C	C	.	.	H	α-helix	trans	-68.7	-47.3	175.1	-174.4	59.8	0	0	0	111.5	F476 H477 R478 K482 K483 V484 I600 I603 Q604	F476-L480 PolarHBondContact O-N 3.31Å; H477-L480 WeakPolarHBondContact O-CB 3.39Å; H477-L480 PolarHBondContact O-N 2.9Å; R478-L480 VanDerWaalsContact C-N 3.29Å; R478-L480 PolarHBondContact O-N 3.42Å; L480-K482 VanDerWaalsContact C-N 3.27Å; L480-K482 PolarHBondContact O-N 3.25Å; L480-K483 WeakPolarHBondContact O-CB 3.48Å; L480-K483 PolarHBondContact O-N 2.89Å; L480-V484 WeakPolarHBondContact O-CG2 3.48Å; L480-V484 PolarHBondContact O-N 3.22Å; L480-I600 HydrophobicContact CD2-CB 4.27Å; L480-I600 HydrophobicContact CD2-CG1 4.24Å; L480-I600 HydrophobicContact CD2-CG2 4.08Å; L480-I603 HydrophobicContact CD1-CG2 4.45Å; L480-I603 HydrophobicContact CD2-CB 3.66Å; L480-I603 HydrophobicContact CD2-CG1 4.25Å; L480-I603 HydrophobicContact CD2-CG2 3.77Å; L480-I603 HydrophobicContact CG-CB 4.16Å; L480-I603 HydrophobicContact CG-CG2 3.67Å; L480-Q604 HydrophobicContact CD1-CG 4.47Å; L480-Q604 HydrophobicContact CD2-CG 4.45Å
481	V	96	Very high	91.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-57.4	-39.5	175.3	174.4	0	0	0	0	111.6	L473 H477 R478 V484 F485 Y542 F545 Y549 F599	L473-V481 HydrophobicContact CD2-CG2 4.14Å; H477-V481 WeakPolarHBondContact O-CG2 2.99Å; H477-V481 PolarHBondContact O-N 3.41Å; R478-V481 PolarHBondContact O-N 3.07Å; V481-V484 WeakPolarHBondContact O-CB 3.35Å; V481-V484 PolarHBondContact O-N 3.23Å; V481-F485 PolarHBondContact O-N 2.64Å; V481-Y542 HydrophobicContact CG1-CE2 4.39Å; V481-F545 HydrophobicContact CG1-CD1 3.74Å; V481-F545 HydrophobicContact CG1-CE1 3.73Å; V481-Y549 HydrophobicContact CG1-CD2 3.81Å; V481-Y549 HydrophobicContact CG1-CG 4.28Å; V481-Y549 HydrophobicContact CG2-CD2 4.05Å; V481-Y549 HydrophobicContact CG2-CG 3.77Å; V481-F599 HydrophobicContact CG2-CE1 4.31Å; V481-F599 HydrophobicContact CG2-CZ 3.89Å
482	K	95	Very high	91.6	Very high	28 Å²	28	40.4 Å²	40.4	12%	0.122	20%	0.198	C	C	.	.	H	α-helix	trans	-61.8	-43.1	173.3	-75.4	179.4	59.8	155.9	0	112.6	A219 L220 R221 R478 L480 V484 F485 L486 Y542	A219-K482 PolarHBondContact O-NZ 3.48Å; A219-K482 VanDerWaalsContact O-NZ 3.07Å; L220-K482 VanDerWaalsContact C-NZ 3.31Å; L220-K482 HydrophobicContact CD2-CG 4.26Å; L220-K482 VanDerWaalsContact O-CE 3.25Å; L220-K482 WeakPolarHBondContact O-CE 3.16Å; L220-K482 PolarHBondContact O-NZ 3.47Å; R221-K482 PolarHBondContact O-NZ 3.31Å; R478-K482 HydrophobicContact CG-CD 4.34Å; R478-K482 WeakPolarHBondContact O-CB 3.44Å; R478-K482 VanDerWaalsContact O-CG 3.26Å; R478-K482 WeakPolarHBondContact O-CG 3.17Å; R478-K482 PolarHBondContact O-N 3.05Å; L480-K482 VanDerWaalsContact C-N 3.27Å; L480-K482 PolarHBondContact O-N 3.25Å; K482-V484 VanDerWaalsContact C-N 3.32Å; K482-F485 PolarHBondContact O-N 2.82Å; K482-L486 WeakPolarHBondContact O-CB 3.49Å; K482-L486 VanDerWaalsContact O-CG 3.24Å; K482-L486 WeakPolarHBondContact O-CG 3.39Å; K482-L486 PolarHBondContact O-N 2.85Å; K482-Y542 HydrophobicContact CG-CE2 3.82Å; K482-Y542 WeakPolarHBondContact CG-OH 3.32Å
483	K	93.5	Very high	91.8	Very high	123 Å²	123	37.8 Å²	37.8	54%	0.535	19%	0.187	S	C	.	.	H	α-helix	trans	-62	-42.4	176.9	-72.8	173.6	-179.4	177.6	0	111.1	T479 L480 L486 K487	T479-K483 WeakPolarHBondContact O-CG 3.46Å; T479-K483 PolarHBondContact O-N 3.45Å; T479-K483 VanDerWaalsContact O-N 3.16Å; L480-K483 WeakPolarHBondContact O-CB 3.48Å; L480-K483 PolarHBondContact O-N 2.89Å; K483-L486 PolarHBondContact O-N 3.2Å; K483-K487 PolarHBondContact O-N 3.48Å
484	V	96.5	Very high	91.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-57	-52	174.2	177.8	0	0	0	0	110.8	L480 V481 K482 L486 K487 M488 F545 I603 W607 I609	L480-V484 WeakPolarHBondContact O-CG2 3.48Å; L480-V484 PolarHBondContact O-N 3.22Å; V481-V484 WeakPolarHBondContact O-CB 3.35Å; V481-V484 PolarHBondContact O-N 3.23Å; K482-V484 VanDerWaalsContact C-N 3.32Å; V484-L486 PolarHBondContact O-N 3.03Å; V484-K487 VanDerWaalsContact O-CB 3.31Å; V484-K487 WeakPolarHBondContact O-CB 3.46Å; V484-K487 PolarHBondContact O-N 2.74Å; V484-M488 HydrophobicContact CG1-CE 3.97Å; V484-F545 HydrophobicContact CB-CE1 4.35Å; V484-F545 HydrophobicContact CB-CZ 4.4Å; V484-F545 HydrophobicContact CG1-CE1 4.09Å; V484-F545 HydrophobicContact CG1-CZ 3.65Å; V484-I603 HydrophobicContact CG2-CG2 3.44Å; V484-I603 VanDerWaalsContact CG2-CG2 3.44Å; V484-W607 HydrophobicContact CB-CG 4.3Å; V484-W607 HydrophobicContact CG1-CB 3.94Å; V484-W607 HydrophobicContact CG1-CD2 3.26Å; V484-W607 VanDerWaalsContact CG1-CE2 3.46Å; V484-W607 HydrophobicContact CG1-CE3 3.8Å; V484-W607 HydrophobicContact CG1-CG 3.32Å; V484-W607 HydrophobicContact CG1-CZ2 4.12Å; V484-W607 HydrophobicContact CG1-CZ3 4.42Å; V484-W607 HydrophobicContact CG2-CB 4.15Å; V484-W607 HydrophobicContact CG2-CG 3.98Å; V484-I609 VanDerWaalsContact CA-CD1 3.43Å; V484-I609 HydrophobicContact CB-CD1 3.75Å; V484-I609 HydrophobicContact CG1-CD1 4.31Å; V484-I609 HydrophobicContact CG2-CD1 3.21Å
485	F	97.2	Very high	92.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.8	-43.6	-177.4	-164.7	-87.4	0	0	0	111.8	L220 V481 K482 K487 M488 D489 I496 Y542 F545	L220-F485 HydrophobicContact CD1-CD1 3.83Å; L220-F485 HydrophobicContact CD1-CE1 3.99Å; L220-F485 HydrophobicContact CD2-CD1 4.13Å; V481-F485 PolarHBondContact O-N 2.64Å; K482-F485 PolarHBondContact O-N 2.82Å; F485-K487 PolarHBondContact O-N 2.7Å; F485-M488 CarbonylContact O-C 3.53Å; F485-M488 WeakPolarHBondContact O-CA 3.42Å; F485-M488 PolarHBondContact O-N 3.16Å; F485-D489 HydrophobicContact CD1-CB 3.9Å; F485-D489 HydrophobicContact CE1-CB 3.72Å; F485-D489 PolarHBondContact O-N 2.84Å; F485-I496 HydrophobicContact CD2-CD1 4.16Å; F485-I496 HydrophobicContact CE1-CG2 3.98Å; F485-I496 HydrophobicContact CE2-CD1 3.79Å; F485-I496 HydrophobicContact CE2-CG1 3.8Å; F485-I496 HydrophobicContact CE2-CG2 4.12Å; F485-I496 HydrophobicContact CZ-CB 4.35Å; F485-I496 HydrophobicContact CZ-CD1 4.43Å; F485-I496 HydrophobicContact CZ-CG1 4.05Å; F485-I496 HydrophobicContact CZ-CG2 3.74Å; F485-Y542 HydrophobicContact CB-CD2 3.74Å; F485-Y542 HydrophobicContact CB-CE2 4.16Å; F485-Y542 AromaticContact CD1-CD2 3.92Å; F485-Y542 HydrophobicContact CD1-CD2 3.92Å; F485-Y542 HydrophobicContact CD1-CG 4.41Å; F485-Y542 AromaticContact CD2-CD2 3.87Å; F485-Y542 HydrophobicContact CD2-CD2 3.87Å; F485-Y542 HydrophobicContact CE1-CD2 4.49Å; F485-Y542 HydrophobicContact CE2-CD2 4.43Å; F485-Y542 AromaticContact CG-CD2 3.56Å; F485-Y542 HydrophobicContact CG-CD2 3.56Å; F485-Y542 HydrophobicContact CG-CE2 4.45Å; F485-Y542 HydrophobicContact CG-CG 4.39Å; F485-F545 HydrophobicContact CB-CD1 4.26Å; F485-F545 HydrophobicContact CB-CE1 4.2Å; F485-F545 HydrophobicContact CD2-CB 3.87Å; F485-F545 AromaticContact CD2-CD1 3.67Å; F485-F545 HydrophobicContact CD2-CD1 3.67Å; F485-F545 HydrophobicContact CD2-CD2 4.25Å; F485-F545 HydrophobicContact CD2-CE1 4.17Å; F485-F545 AromaticContact CD2-CG 3.68Å; F485-F545 HydrophobicContact CD2-CG 3.68Å; F485-F545 HydrophobicContact CE2-CB 3.94Å; F485-F545 HydrophobicContact CE2-CG 4.17Å; F485-F545 HydrophobicContact CG-CD1 4.44Å
486	L	94.3	Very high	92.3	Very high	54 Å²	54	36.9 Å²	36.9	28%	0.283	18%	0.182	S	C	.	.	H	α-helix	trans	-65.7	-21.9	178	-70.6	170.7	0	0	0	113.7	L220 K482 K483 V484 M488 D489 R492	L220-L486 HydrophobicContact CB-CD2 4.46Å; L220-L486 HydrophobicContact CD1-CD2 4.06Å; L220-L486 HydrophobicContact CD2-CD2 4.31Å; L220-L486 HydrophobicContact CD2-CG 4.24Å; K482-L486 WeakPolarHBondContact O-CB 3.49Å; K482-L486 VanDerWaalsContact O-CG 3.24Å; K482-L486 WeakPolarHBondContact O-CG 3.39Å; K482-L486 PolarHBondContact O-N 2.85Å; K483-L486 PolarHBondContact O-N 3.2Å; V484-L486 PolarHBondContact O-N 3.03Å; L486-M488 VanDerWaalsContact C-N 3.28Å; L486-D489 CarbonylContact O-C 3.57Å; L486-R492 HydrophobicContact CD2-CG 3.93Å
487	K	93.9	Very high	92.6	Very high	83 Å²	83	39.6 Å²	39.6	36%	0.361	20%	0.195	S	C	.	.	H	α-helix	trans	-66.5	-33	170	-178.1	179.5	177.9	178.2	0	111.4	K483 V484 F485 W607 C608 I609	K483-K487 PolarHBondContact O-N 3.48Å; V484-K487 VanDerWaalsContact O-CB 3.31Å; V484-K487 WeakPolarHBondContact O-CB 3.46Å; V484-K487 PolarHBondContact O-N 2.74Å; F485-K487 PolarHBondContact O-N 2.7Å; K487-W607 PolarHBondContact NZ-O 2.94Å; K487-C608 PolarHBondContact NZ-O 3.35Å; K487-I609 HydrophobicContact CD-CD1 4.48Å; K487-I609 HydrophobicContact CD-CG1 4.28Å
488	M	94.9	Very high	92.7	Very high	8 Å²	8	41.3 Å²	41.3	4%	0.039	20%	0.203	C	C	.	.	H	α-helix	trans	-92	-26.6	178.9	-61.4	-173.6	-77.4	0	0	113	V484 F485 L486 P490 I496 D500 I501 F504 F545 W607	V484-M488 HydrophobicContact CG1-CE 3.97Å; F485-M488 CarbonylContact O-C 3.53Å; F485-M488 WeakPolarHBondContact O-CA 3.42Å; F485-M488 PolarHBondContact O-N 3.16Å; L486-M488 VanDerWaalsContact C-N 3.28Å; M488-P490 WeakPolarHBondContact O-CD 3.42Å; M488-I496 HydrophobicContact CB-CD1 4.29Å; M488-I496 HydrophobicContact CB-CG2 3.9Å; M488-I496 HydrophobicContact CE-CD1 3.64Å; M488-I496 HydrophobicContact SD-CD1 3.88Å; M488-D500 HydrophobicContact CB-CB 4.21Å; M488-D500 HydrophobicContact SD-CB 4.47Å; M488-I501 HydrophobicContact SD-CG1 4.44Å; M488-F504 HydrophobicContact CB-CD2 4.47Å; M488-F504 HydrophobicContact CG-CB 4.33Å; M488-F504 HydrophobicContact CG-CD2 3.58Å; M488-F504 HydrophobicContact CG-CE2 4.15Å; M488-F504 HydrophobicContact CG-CG 4.16Å; M488-F504 HydrophobicContact SD-CB 4.34Å; M488-F504 HydrophobicContact SD-CD2 4.27Å; M488-F545 HydrophobicContact CE-CE2 3.85Å; M488-F545 HydrophobicContact CE-CZ 3.79Å; M488-W607 HydrophobicContact CE-CE3 4.22Å; M488-W607 HydrophobicContact CE-CH2 3.66Å; M488-W607 HydrophobicContact CE-CZ2 4.36Å; M488-W607 HydrophobicContact CE-CZ3 3.6Å; M488-W607 HydrophobicContact SD-CE3 4.14Å; M488-W607 HydrophobicContact SD-CH2 3.83Å; M488-W607 HydrophobicContact SD-CZ3 3.33Å; M488-W607 WeakPolarHBondContact SD-CZ3 3.28Å
489	D	93.3	Very high	92.6	Very high	5 Å²	5	46.4 Å²	46.4	3%	0.027	23%	0.23	C	C	.	.			trans	-111.6	72.4	176.9	-179.4	17.4	0	0	0	111.1	F485 L486 N491 R492 L493 G494 I496	F485-D489 HydrophobicContact CD1-CB 3.9Å; F485-D489 HydrophobicContact CE1-CB 3.72Å; F485-D489 PolarHBondContact O-N 2.84Å; L486-D489 CarbonylContact O-C 3.57Å; D489-N491 PolarHBondContact O-N 3.19Å; D489-R492 PolarHBondContact O-N 3.42Å; D489-R492 VanDerWaalsContact O-N 3.14Å; D489-R492 WeakPolarHBondContact OD1-CA 3.39Å; D489-R492 PolarHBondContact OD1-N 3.1Å; D489-R492 WeakPolarHBondContact OD2-CA 3.45Å; D489-L493 VanDerWaalsContact CG-N 3.31Å; D489-L493 PolarHBondContact OD1-N 2.92Å; D489-L493 PolarHBondContact OD2-N 3.36Å; D489-G494 PolarHBondContact OD2-N 3.37Å; D489-I496 HydrophobicContact CB-CG2 3.74Å
490	P	88.9	Confident	92.7	Very high	97 Å²	97	45.3 Å²	45.3	63%	0.63	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-25.2	-177.9	26.4	-35.1	0	0	0	112.7	M488 R492	M488-P490 WeakPolarHBondContact O-CD 3.42Å; P490-R492 VanDerWaalsContact C-N 3.34Å
491	N	88.4	Confident	92.8	Very high	96 Å²	96	44.5 Å²	44.5	51%	0.513	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-4.6	-179.1	-61.4	-57.7	0	0	0	113	W211 D489 L493	W211-N491 WeakPolarHBondContact CZ3-ND2 3.43Å; D489-N491 PolarHBondContact O-N 3.19Å; N491-L493 HydrophobicContact CB-CD1 4.34Å; N491-L493 HydrophobicContact CB-CD2 4.21Å; N491-L493 HydrophobicContact CB-CG 3.88Å; N491-L493 PolarHBondContact O-N 3.24Å
492	R	89.8	Confident	92.7	Very high	130 Å²	130	50 Å²	50	49%	0.491	24%	0.242	S	C	.	.			trans	58.1	36.6	179.2	-48.7	-175.1	179.2	-169.9	0.5	112.7	S217 L486 D489 P490 G494	S217-R492 WeakPolarHBondContact CB-O 3.33Å; L486-R492 HydrophobicContact CD2-CG 3.93Å; D489-R492 PolarHBondContact O-N 3.42Å; D489-R492 VanDerWaalsContact O-N 3.14Å; D489-R492 WeakPolarHBondContact OD1-CA 3.39Å; D489-R492 PolarHBondContact OD1-N 3.1Å; D489-R492 WeakPolarHBondContact OD2-CA 3.45Å; P490-R492 VanDerWaalsContact C-N 3.34Å; R492-G494 PolarHBondContact O-N 3.39Å
493	L	90.7	Very high	92.6	Very high	18 Å²	18	58 Å²	58	9%	0.094	27%	0.271	C	S	.	.			trans	-67.6	-21.8	178.3	-59.6	177.6	0	0	0	111.8	W211 N213 S214 D489 N491	W211-L493 HydrophobicContact CE3-CD1 4.06Å; W211-L493 WeakPolarHBondContact O-CD2 3.22Å; N213-L493 CarbonylContact C-O 3.56Å; N213-L493 WeakPolarHBondContact CA-O 3.43Å; S214-L493 PolarHBondContact N-O 2.86Å; S214-L493 PolarHBondContact OG-O 3.09Å; D489-L493 VanDerWaalsContact CG-N 3.31Å; D489-L493 PolarHBondContact OD1-N 2.92Å; D489-L493 PolarHBondContact OD2-N 3.36Å; N491-L493 HydrophobicContact CB-CD1 4.34Å; N491-L493 HydrophobicContact CB-CD2 4.21Å; N491-L493 HydrophobicContact CB-CG 3.88Å; N491-L493 PolarHBondContact O-N 3.24Å
494	G	91.9	Very high	92.7	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.256	C	S	.	.	S	Bend	trans	89.7	-0.7	-177	0	0	0	0	0	114.1	S216 D489 R492 Y542	S216-G494 WeakPolarHBondContact CB-O 3.44Å; D489-G494 PolarHBondContact OD2-N 3.37Å; R492-G494 PolarHBondContact O-N 3.39Å; G494-Y542 PolarHBondContact O-N 3.41Å
495	H	92.5	Very high	92.7	Very high	12 Å²	12	55.6 Å²	55.6	6%	0.056	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	156	178.4	64.2	81.3	0	0	0	110.9	D210 T212 R539 L540	D210-H495 PolarHBondContact O-CE1 2.81Å; T212-H495 PolarHBondContact O-NE2 3.33Å; H495-R539 HydrophobicContact CB-CB 4.26Å; H495-R539 WeakPolarHBondContact ND1-CD 3.33Å; H495-L540 CarbonylContact C-O 3.49Å; H495-L540 VanDerWaalsContact CA-O 3.25Å; H495-L540 WeakPolarHBondContact CA-O 3.28Å
496	I	93.2	Very high	92.6	Very high	4 Å²	4	59.4 Å²	59.4	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	164.9	176.4	60.3	176.4	0	0	0	110.7	F485 M488 D489 D500 I501 R539 L540	F485-I496 HydrophobicContact CD2-CD1 4.16Å; F485-I496 HydrophobicContact CE1-CG2 3.98Å; F485-I496 HydrophobicContact CE2-CD1 3.79Å; F485-I496 HydrophobicContact CE2-CG1 3.8Å; F485-I496 HydrophobicContact CE2-CG2 4.12Å; F485-I496 HydrophobicContact CZ-CB 4.35Å; F485-I496 HydrophobicContact CZ-CD1 4.43Å; F485-I496 HydrophobicContact CZ-CG1 4.05Å; F485-I496 HydrophobicContact CZ-CG2 3.74Å; M488-I496 HydrophobicContact CB-CD1 4.29Å; M488-I496 HydrophobicContact CB-CG2 3.9Å; M488-I496 HydrophobicContact CE-CD1 3.64Å; M488-I496 HydrophobicContact SD-CD1 3.88Å; D489-I496 HydrophobicContact CB-CG2 3.74Å; I496-D500 HydrophobicContact CB-CB 4.39Å; I496-I501 HydrophobicContact CD1-CD1 4.28Å; I496-I501 HydrophobicContact CD1-CG1 3.87Å; I496-R539 WeakPolarHBondContact O-CA 3.28Å; I496-L540 HydrophobicContact CD1-CD2 4.47Å; I496-L540 HydrophobicContact CG1-CB 4.2Å; I496-L540 PolarHBondContact N-O 3.19Å; I496-L540 PolarHBondContact O-N 3.47Å
497	Q	91.3	Very high	92.6	Very high	87 Å²	87	58.7 Å²	58.7	41%	0.407	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	156.3	172.3	-58.9	-173.6	19.4	0	0	111	L499 D500	Q497-L499 PolarHBondContact O-N 3.01Å; Q497-L499 VanDerWaalsContact O-N 3.11Å; Q497-D500 PolarHBondContact N-OD2 3.24Å; Q497-D500 WeakPolarHBondContact O-CB 3.37Å; Q497-D500 PolarHBondContact O-N 2.8Å
498	L	91.1	Very high	92.7	Very high	35 Å²	35	55 Å²	55	18%	0.183	26%	0.264	C	S	.	.	H	α-helix	trans	-60.3	-22.2	173.5	-63.9	-178.3	0	0	0	113	D500 I501 K502 L527 F530 E531 V534	L498-D500 VanDerWaalsContact C-N 3.33Å; L498-I501 HydrophobicContact CD2-CD1 3.92Å; L498-I501 PolarHBondContact O-N 3.11Å; L498-K502 WeakPolarHBondContact O-CG 3.31Å; L498-K502 PolarHBondContact O-N 3.14Å; L498-K502 VanDerWaalsContact O-N 3.11Å; L498-L527 HydrophobicContact CB-CD2 4.36Å; L498-F530 HydrophobicContact CD2-CB 3.77Å; L498-E531 HydrophobicContact CD1-CB 4.38Å; L498-V534 HydrophobicContact CD2-CG2 4.03Å; L498-V534 HydrophobicContact CG-CG2 4.31Å
499	L	91.2	Very high	92.7	Very high	111 Å²	111	64.8 Å²	64.8	58%	0.581	30%	0.3	S	S	*	.	H	α-helix	trans	-66	-34.9	173	-71.6	169.4	0	0	0	112.2	Q497 I501 K502 R503	Q497-L499 PolarHBondContact O-N 3.01Å; Q497-L499 VanDerWaalsContact O-N 3.11Å; L499-I501 VanDerWaalsContact C-N 3.35Å; L499-K502 HydrophobicContact CD2-CD 4.43Å; L499-K502 WeakPolarHBondContact O-CB 3.39Å; L499-K502 PolarHBondContact O-N 2.84Å; L499-R503 PolarHBondContact O-N 3.07Å; L499-R503 VanDerWaalsContact O-N 3.12Å
500	D	92.3	Very high	92.8	Very high	44 Å²	44	66.6 Å²	66.6	24%	0.235	31%	0.307	C	S	.	.	H	α-helix	trans	-66.4	-42.3	176.8	-56.9	-53.4	0	0	0	110	M488 I496 Q497 L498 K502 R503 F504	M488-D500 HydrophobicContact CB-CB 4.21Å; M488-D500 HydrophobicContact SD-CB 4.47Å; I496-D500 HydrophobicContact CB-CB 4.39Å; Q497-D500 PolarHBondContact N-OD2 3.24Å; Q497-D500 WeakPolarHBondContact O-CB 3.37Å; Q497-D500 PolarHBondContact O-N 2.8Å; L498-D500 VanDerWaalsContact C-N 3.33Å; D500-K502 PolarHBondContact O-N 2.96Å; D500-R503 WeakPolarHBondContact O-CB 3.45Å; D500-R503 PolarHBondContact O-N 3.28Å; D500-R503 VanDerWaalsContact O-N 3.09Å; D500-F504 VanDerWaalsContact O-CD2 3.22Å; D500-F504 WeakPolarHBondContact O-CD2 3.4Å; D500-F504 PolarHBondContact O-N 3.09Å; D500-F504 VanDerWaalsContact O-N 3.16Å
501	I	93.6	Very high	93.1	Very high	0 Å²	0	62 Å²	62	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-58.5	-48.5	174.4	-57.2	179.2	0	0	0	110.5	M488 I496 L498 L499 R503 F504 F505 L527 F530 L540 W607	M488-I501 HydrophobicContact SD-CG1 4.44Å; I496-I501 HydrophobicContact CD1-CD1 4.28Å; I496-I501 HydrophobicContact CD1-CG1 3.87Å; L498-I501 HydrophobicContact CD2-CD1 3.92Å; L498-I501 PolarHBondContact O-N 3.11Å; L499-I501 VanDerWaalsContact C-N 3.35Å; I501-R503 PolarHBondContact O-N 2.86Å; I501-F504 PolarHBondContact O-N 3.45Å; I501-F505 HydrophobicContact CG2-CB 4.21Å; I501-F505 WeakPolarHBondContact O-CB 3.37Å; I501-F505 PolarHBondContact O-N 3.09Å; I501-L527 HydrophobicContact CB-CD2 4.19Å; I501-L527 HydrophobicContact CG2-CD2 3.97Å; I501-F530 HydrophobicContact CD1-CB 4.4Å; I501-F530 HydrophobicContact CD1-CD2 3.42Å; I501-F530 VanDerWaalsContact CD1-CD2 3.42Å; I501-F530 HydrophobicContact CD1-CE2 3.82Å; I501-F530 HydrophobicContact CD1-CG 4.07Å; I501-F530 HydrophobicContact CG2-CD2 4.45Å; I501-L540 HydrophobicContact CD1-CD2 3.62Å; I501-W607 HydrophobicContact CG2-CH2 4.11Å
502	K	93.6	Very high	93.5	Very high	115 Å²	115	59.6 Å²	59.6	50%	0.5	27%	0.266	S	S	.	.	H	α-helix	trans	-55.6	-33.7	176.5	-77.5	175.8	-179.9	-178.2	0	113.5	L498 L499 D500 L523 L527	L498-K502 WeakPolarHBondContact O-CG 3.31Å; L498-K502 PolarHBondContact O-N 3.14Å; L498-K502 VanDerWaalsContact O-N 3.11Å; L499-K502 HydrophobicContact CD2-CD 4.43Å; L499-K502 WeakPolarHBondContact O-CB 3.39Å; L499-K502 PolarHBondContact O-N 2.84Å; D500-K502 PolarHBondContact O-N 2.96Å; K502-L523 HydrophobicContact CG-CD1 4.44Å; K502-L527 HydrophobicContact CD-CD1 4.15Å; K502-L527 HydrophobicContact CG-CD1 3.64Å; K502-L527 HydrophobicContact CG-CD2 3.88Å; K502-L527 HydrophobicContact CG-CG 4.36Å
503	R	93.5	Very high	93.8	Very high	195 Å²	195	59.7 Å²	59.7	74%	0.736	28%	0.276	S	S	*	.	H	α-helix	trans	-77.5	-36	-176.6	-177.4	178.8	178.7	-177.4	0.4	112.8	L499 D500 I501	L499-R503 PolarHBondContact O-N 3.07Å; L499-R503 VanDerWaalsContact O-N 3.12Å; D500-R503 WeakPolarHBondContact O-CB 3.45Å; D500-R503 PolarHBondContact O-N 3.28Å; D500-R503 VanDerWaalsContact O-N 3.09Å; I501-R503 PolarHBondContact O-N 2.86Å
504	F	94.1	Very high	94	Very high	52 Å²	52	65.4 Å²	65.4	23%	0.228	30%	0.302	C	S	.	.	H	α-helix	trans	-108.9	-15.7	-169.6	-66.7	-72.8	0	0	0	114.7	M488 D500 I501 W607	M488-F504 HydrophobicContact CB-CD2 4.47Å; M488-F504 HydrophobicContact CG-CB 4.33Å; M488-F504 HydrophobicContact CG-CD2 3.58Å; M488-F504 HydrophobicContact CG-CE2 4.15Å; M488-F504 HydrophobicContact CG-CG 4.16Å; M488-F504 HydrophobicContact SD-CB 4.34Å; M488-F504 HydrophobicContact SD-CD2 4.27Å; D500-F504 VanDerWaalsContact O-CD2 3.22Å; D500-F504 WeakPolarHBondContact O-CD2 3.4Å; D500-F504 PolarHBondContact O-N 3.09Å; D500-F504 VanDerWaalsContact O-N 3.16Å; I501-F504 PolarHBondContact O-N 3.45Å; F504-W607 HydrophobicContact CB-CE3 3.94Å; F504-W607 HydrophobicContact CB-CZ3 4.02Å
505	F	96.2	Very high	94.1	Very high	22 Å²	22	67.4 Å²	67.4	10%	0.096	31%	0.312	C	S	.	.			trans	-80.4	133	-176.4	-174.8	-91.3	0	0	0	112.4	I501 T507 H521 L523 I526 T606 W607	I501-F505 HydrophobicContact CG2-CB 4.21Å; I501-F505 WeakPolarHBondContact O-CB 3.37Å; I501-F505 PolarHBondContact O-N 3.09Å; F505-T507 WeakPolarHBondContact CE1-OG1 3.33Å; F505-H521 WeakPolarHBondContact CZ-O 3.31Å; F505-L523 HydrophobicContact CB-CD1 4.04Å; F505-L523 HydrophobicContact CD1-CB 3.97Å; F505-L523 HydrophobicContact CD1-CD1 3.76Å; F505-L523 HydrophobicContact CD1-CG 4.48Å; F505-L523 HydrophobicContact CE1-CB 4.3Å; F505-L523 HydrophobicContact CG-CD1 4.2Å; F505-I526 HydrophobicContact CD1-CG2 4Å; F505-I526 HydrophobicContact CD2-CD1 3.81Å; F505-I526 HydrophobicContact CD2-CG2 4.18Å; F505-I526 HydrophobicContact CE1-CG2 3.74Å; F505-I526 HydrophobicContact CE2-CB 4.37Å; F505-I526 HydrophobicContact CE2-CD1 3.21Å; F505-I526 HydrophobicContact CE2-CG1 4.35Å; F505-I526 HydrophobicContact CE2-CG2 3.96Å; F505-I526 HydrophobicContact CG-CG2 4.2Å; F505-I526 HydrophobicContact CZ-CB 4.14Å; F505-I526 HydrophobicContact CZ-CD1 3.79Å; F505-I526 HydrophobicContact CZ-CG2 3.73Å; F505-T606 HydrophobicContact CD2-CG2 3.52Å; F505-T606 HydrophobicContact CE2-CG2 3.2Å; F505-T606 HydrophobicContact CG-CG2 4.44Å; F505-T606 HydrophobicContact CZ-CG2 3.94Å; F505-W607 HydrophobicContact CB-CH2 4.25Å; F505-W607 HydrophobicContact CB-CZ3 4.06Å; F505-W607 AromaticContact CD2-CH2 3.95Å; F505-W607 HydrophobicContact CD2-CH2 3.95Å; F505-W607 AromaticContact CD2-CZ2 3.8Å; F505-W607 HydrophobicContact CD2-CZ2 3.8Å; F505-W607 HydrophobicContact CD2-CZ3 4.4Å; F505-W607 HydrophobicContact CE2-CZ2 4.48Å
506	N	95.6	Very high	94.2	Very high	79 Å²	79	68.1 Å²	68.1	42%	0.422	32%	0.324	S	S	.	.			trans	-126	145.2	173.6	174.6	51.6	0	0	0	109.1	P508 D605 T606	N506-P508 WeakPolarHBondContact O-CD 3.39Å; N506-D605 PolarHBondContact ND2-O 3.39Å; N506-T606 WeakPolarHBondContact CB-O 3.27Å; N506-T606 PolarHBondContact N-O 2.96Å; N506-T606 VanDerWaalsContact O-CA 3.28Å; N506-T606 WeakPolarHBondContact O-CA 3.42Å; N506-T606 WeakPolarHBondContact O-CG2 3.46Å
507	T	95.4	Very high	94.1	Very high	40 Å²	40	71.8 Å²	71.8	25%	0.245	35%	0.346	C	S	.	.			trans	-101.4	107.2	173.8	-59.2	0	0	0	0	108.9	F505 R509 V512 H521 S522	F505-T507 WeakPolarHBondContact CE1-OG1 3.33Å; T507-R509 PolarHBondContact O-N 3.11Å; T507-V512 HydrophobicContact CG2-CG2 3.5Å; T507-H521 WeakPolarHBondContact CG2-O 3.12Å; T507-H521 PolarHBondContact OG1-O 3.19Å; T507-S522 WeakPolarHBondContact OG1-CA 3.22Å
508	P	94.7	Very high	94	Very high	6 Å²	6	70.7 Å²	70.7	4%	0.039	34%	0.343	C	S	.	.			trans	-66.8	126.3	-178.1	-19.7	33.6	0	0	0	111.2	N506 W510 A511 V512 L602 D605	N506-P508 WeakPolarHBondContact O-CD 3.39Å; P508-W510 PolarHBondContact O-N 2.88Å; P508-A511 HydrophobicContact CB-CB 4Å; P508-A511 HydrophobicContact CG-CB 4.45Å; P508-A511 WeakPolarHBondContact O-CB 3.46Å; P508-A511 PolarHBondContact O-N 2.98Å; P508-V512 PolarHBondContact O-N 3.33Å; P508-L602 HydrophobicContact CG-CD1 4.47Å; P508-D605 HydrophobicContact CB-CB 3.86Å; P508-D605 HydrophobicContact CG-CB 3.56Å
509	R	95.3	Very high	94	Very high	213 Å²	213	70.4 Å²	70.4	80%	0.804	34%	0.341	S	S	*	.	H	α-helix	trans	-58.1	-45.9	-178.2	-67.5	-176.7	-177.2	177	0.2	112.5	T507 A511 V512 D513	T507-R509 PolarHBondContact O-N 3.11Å; R509-A511 PolarHBondContact O-N 3.19Å; R509-V512 WeakPolarHBondContact O-CB 3.49Å; R509-V512 PolarHBondContact O-N 3.03Å; R509-V512 VanDerWaalsContact O-N 3.09Å; R509-D513 VanDerWaalsContact O-CG 3.22Å; R509-D513 PolarHBondContact O-N 2.7Å
510	W	95.9	Very high	94.1	Very high	43 Å²	43	65.3 Å²	65.3	16%	0.163	32%	0.316	C	S	.	.	H	α-helix	trans	-58.7	-33.2	178.2	72	-98.3	0	0	0	112.3	P508 D513 Q514 L515 T598 K601 L602 D605	P508-W510 PolarHBondContact O-N 2.88Å; W510-D513 PolarHBondContact O-N 3.45Å; W510-Q514 VanDerWaalsContact O-CB 3.27Å; W510-Q514 WeakPolarHBondContact O-CB 3.23Å; W510-Q514 VanDerWaalsContact O-CG 3.29Å; W510-Q514 WeakPolarHBondContact O-CG 3.36Å; W510-Q514 PolarHBondContact O-N 3.18Å; W510-L515 HydrophobicContact CZ3-CD1 4.28Å; W510-T598 HydrophobicContact CH2-CG2 4.24Å; W510-T598 HydrophobicContact CZ3-CG2 4.2Å; W510-K601 HydrophobicContact CH2-CB 4.23Å; W510-K601 HydrophobicContact CH2-CD 3.92Å; W510-K601 HydrophobicContact CH2-CG 4.08Å; W510-K601 HydrophobicContact CZ2-CB 4.07Å; W510-K601 HydrophobicContact CZ2-CD 3.68Å; W510-K601 HydrophobicContact CZ2-CG 3.57Å; W510-K601 HydrophobicContact CZ3-CD 4.42Å; W510-L602 HydrophobicContact CH2-CB 4.1Å; W510-L602 HydrophobicContact CZ2-CB 4.32Å; W510-D605 PolarHBondContact NE1-OD2 2.83Å
511	A	95.8	Very high	94.2	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-72.9	-38	-179.7	0	0	0	0	0	110.6	P508 R509 D513 L515 G516 A520 L602	P508-A511 HydrophobicContact CB-CB 4Å; P508-A511 HydrophobicContact CG-CB 4.45Å; P508-A511 WeakPolarHBondContact O-CB 3.46Å; P508-A511 PolarHBondContact O-N 2.98Å; R509-A511 PolarHBondContact O-N 3.19Å; A511-D513 VanDerWaalsContact C-N 3.34Å; A511-L515 HydrophobicContact CB-CD1 4.25Å; A511-L515 WeakPolarHBondContact O-CA 3.33Å; A511-L515 WeakPolarHBondContact O-CB 3.4Å; A511-L515 PolarHBondContact O-N 2.88Å; A511-G516 PolarHBondContact O-N 3.49Å; A511-A520 VanDerWaalsContact C-CB 3.4Å; A511-A520 HydrophobicContact CB-CB 3.6Å; A511-A520 WeakPolarHBondContact O-CB 3.35Å; A511-L602 HydrophobicContact CB-CD1 3.56Å
512	V	96.3	Very high	94.2	Very high	46 Å²	46	65.4 Å²	65.4	28%	0.279	32%	0.319	S	S	.	.	H	α-helix	trans	-62.3	-44.7	171.3	179.8	0	0	0	0	110.5	T507 P508 R509 G516 T517 A520	T507-V512 HydrophobicContact CG2-CG2 3.5Å; P508-V512 PolarHBondContact O-N 3.33Å; R509-V512 WeakPolarHBondContact O-CB 3.49Å; R509-V512 PolarHBondContact O-N 3.03Å; R509-V512 VanDerWaalsContact O-N 3.09Å; V512-G516 WeakPolarHBondContact O-CA 3.18Å; V512-G516 PolarHBondContact O-N 3.06Å; V512-T517 HydrophobicContact CG1-CG2 3.96Å; V512-A520 HydrophobicContact CG2-CB 4.05Å
513	D	96.1	Very high	94.3	Very high	132 Å²	132	62.5 Å²	62.5	71%	0.706	31%	0.308	S	S	*	.	H	α-helix	trans	-68.7	-37.5	-177.4	-61.3	-27.3	0	0	0	112.6	R509 W510 A511	R509-D513 VanDerWaalsContact O-CG 3.22Å; R509-D513 PolarHBondContact O-N 2.7Å; W510-D513 PolarHBondContact O-N 3.45Å; A511-D513 VanDerWaalsContact C-N 3.34Å
514	Q	94.5	Very high	94.4	Very high	137 Å²	137	57.5 Å²	57.5	64%	0.64	30%	0.301	S	S	*	.	H	α-helix	trans	-95.8	-36.4	-174.5	-66.4	-178.7	6.4	0	0	114.1	W510	W510-Q514 VanDerWaalsContact O-CB 3.27Å; W510-Q514 WeakPolarHBondContact O-CB 3.23Å; W510-Q514 VanDerWaalsContact O-CG 3.29Å; W510-Q514 WeakPolarHBondContact O-CG 3.36Å; W510-Q514 PolarHBondContact O-N 3.18Å
515	L	93.9	Very high	94.4	Very high	42 Å²	42	58.3 Å²	58.3	22%	0.22	31%	0.308	C	S	.	.	H	α-helix	trans	-106.5	-16.9	-173.8	-48.6	175.1	0	0	0	112.4	W510 A511 I519 L556 T598 L602	W510-L515 HydrophobicContact CZ3-CD1 4.28Å; A511-L515 HydrophobicContact CB-CD1 4.25Å; A511-L515 WeakPolarHBondContact O-CA 3.33Å; A511-L515 WeakPolarHBondContact O-CB 3.4Å; A511-L515 PolarHBondContact O-N 2.88Å; L515-I519 HydrophobicContact CB-CB 3.93Å; L515-I519 HydrophobicContact CB-CD1 4.25Å; L515-I519 HydrophobicContact CB-CG2 4Å; L515-I519 HydrophobicContact CD1-CG2 4.09Å; L515-I519 WeakPolarHBondContact O-CD1 3.48Å; L515-L556 HydrophobicContact CD1-CD2 4.04Å; L515-L556 HydrophobicContact CD2-CD2 4.1Å; L515-T598 HydrophobicContact CD1-CG2 4.04Å; L515-T598 HydrophobicContact CD2-CG2 4.04Å; L515-L602 HydrophobicContact CD1-CD2 4.31Å
516	G	93.5	Very high	94.2	Very high	28 Å²	28	57.3 Å²	57.3	29%	0.289	30%	0.304	S	S	.	.			trans	81.3	165	-176.5	0	0	0	0	0	113.8	A511 V512 N518 I519 A520	A511-G516 PolarHBondContact O-N 3.49Å; V512-G516 WeakPolarHBondContact O-CA 3.18Å; V512-G516 PolarHBondContact O-N 3.06Å; G516-N518 PolarHBondContact O-N 3.47Å; G516-I519 PolarHBondContact O-N 3.1Å; G516-A520 PolarHBondContact O-N 3.3Å
517	T	91.7	Very high	94.2	Very high	80 Å²	80	54.6 Å²	54.6	49%	0.491	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-20.7	-175	52.7	0	0	0	0	114.2	V512 I519 H521	V512-T517 HydrophobicContact CG1-CG2 3.96Å; T517-I519 VanDerWaalsContact C-N 3.27Å; T517-H521 PolarHBondContact O-CD2 2.93Å
518	N	89.7	Confident	94	Very high	64 Å²	64	59.1 Å²	59.1	34%	0.342	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-9	178.8	-59.3	-11.8	0	0	0	112.7	N373 G516	N373-N518 PolarHBondContact O-ND2 3.26Å; G516-N518 PolarHBondContact O-N 3.47Å
519	I	91.9	Very high	93.9	Very high	29 Å²	29	59.4 Å²	59.4	15%	0.149	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-53.7	173.4	-58.5	-179.3	0	0	0	108.9	I376 L515 G516 T517 H521 T555 L556	I376-I519 HydrophobicContact CD1-CB 4.46Å; I376-I519 HydrophobicContact CD1-CG2 4.31Å; L515-I519 HydrophobicContact CB-CB 3.93Å; L515-I519 HydrophobicContact CB-CD1 4.25Å; L515-I519 HydrophobicContact CB-CG2 4Å; L515-I519 HydrophobicContact CD1-CG2 4.09Å; L515-I519 WeakPolarHBondContact O-CD1 3.48Å; G516-I519 PolarHBondContact O-N 3.1Å; T517-I519 VanDerWaalsContact C-N 3.27Å; I519-H521 VanDerWaalsContact C-N 3.35Å; I519-H521 PolarHBondContact O-N 3.06Å; I519-H521 VanDerWaalsContact O-N 3.14Å; I519-T555 HydrophobicContact CD1-CG2 3.72Å; I519-T555 HydrophobicContact CG1-CG2 3.93Å; I519-L556 HydrophobicContact CG2-CD2 4.21Å
520	A	92.4	Very high	93.8	Very high	5 Å²	5	49.2 Å²	49.2	4%	0.041	27%	0.268	C	S	.	.	S	Bend	trans	-86.3	74.5	175.8	0	0	0	0	0	110.6	A511 V512 G516	A511-A520 VanDerWaalsContact C-CB 3.4Å; A511-A520 HydrophobicContact CB-CB 3.6Å; A511-A520 WeakPolarHBondContact O-CB 3.35Å; V512-A520 HydrophobicContact CG2-CB 4.05Å; G516-A520 PolarHBondContact O-N 3.3Å
521	H	93.6	Very high	93.5	Very high	5 Å²	5	53.6 Å²	53.6	2%	0.023	29%	0.291	C	S	.	.			trans	-56.5	142	-177.6	-70.6	137.2	0	0	0	113.2	E377 F505 T507 T517 I519 D525 I526 Y548	E377-H521 IonicContact OE1-NE2 3.24Å; E377-H521 PolarHBondContact OE1-NE2 2.85Å; F505-H521 WeakPolarHBondContact CZ-O 3.31Å; T507-H521 WeakPolarHBondContact CG2-O 3.12Å; T507-H521 PolarHBondContact OG1-O 3.19Å; T517-H521 PolarHBondContact O-CD2 2.93Å; I519-H521 VanDerWaalsContact C-N 3.35Å; I519-H521 PolarHBondContact O-N 3.06Å; I519-H521 VanDerWaalsContact O-N 3.14Å; H521-D525 HydrophobicContact CB-CB 4.17Å; H521-I526 HydrophobicContact CB-CB 4.1Å; H521-Y548 AromaticContact CE1-CE2 3.94Å; H521-Y548 AromaticContact ND1-CE2 3.59Å; H521-Y548 AromaticContact ND1-CZ 3.63Å; H521-Y548 PolarHBondContact ND1-OH 3.38Å
522	S	95.1	Very high	93.2	Very high	40 Å²	40	58.5 Å²	58.5	28%	0.28	31%	0.312	S	S	.	.			trans	-70.1	160.7	166	78.8	0	0	0	0	110.8	T507 P524 D525 I526	T507-S522 WeakPolarHBondContact OG1-CA 3.22Å; S522-P524 WeakPolarHBondContact OG-CD 3.29Å; S522-D525 WeakPolarHBondContact CB-OD2 3.42Å; S522-D525 PolarHBondContact O-N 3.24Å; S522-D525 VanDerWaalsContact O-N 3.09Å; S522-D525 PolarHBondContact OG-N 3.42Å; S522-D525 PolarHBondContact OG-OD2 3.23Å; S522-I526 PolarHBondContact O-N 3.03Å
523	L	95.2	Very high	92.6	Very high	54 Å²	54	56.4 Å²	56.4	28%	0.283	30%	0.299	S	S	.	.	H	α-helix	trans	-54.7	-46.8	175.7	175	64.9	0	0	0	112.7	K502 F505 D525 I526 L527	K502-L523 HydrophobicContact CG-CD1 4.44Å; F505-L523 HydrophobicContact CB-CD1 4.04Å; F505-L523 HydrophobicContact CD1-CB 3.97Å; F505-L523 HydrophobicContact CD1-CD1 3.76Å; F505-L523 HydrophobicContact CD1-CG 4.48Å; F505-L523 HydrophobicContact CE1-CB 4.3Å; F505-L523 HydrophobicContact CG-CD1 4.2Å; L523-D525 VanDerWaalsContact C-N 3.3Å; L523-D525 PolarHBondContact O-N 2.83Å; L523-I526 HydrophobicContact CD1-CG2 4.37Å; L523-I526 WeakPolarHBondContact O-CG2 3.31Å; L523-L527 HydrophobicContact CD1-CD1 3.84Å; L523-L527 HydrophobicContact CD1-CD2 4.48Å; L523-L527 HydrophobicContact CD1-CG 3.98Å; L523-L527 HydrophobicContact CG-CD1 3.94Å; L523-L527 WeakPolarHBondContact O-CB 3.18Å; L523-L527 WeakPolarHBondContact O-CD1 3.34Å; L523-L527 WeakPolarHBondContact O-CG 3.23Å; L523-L527 PolarHBondContact O-N 3.21Å; L523-L527 VanDerWaalsContact O-N 3.16Å
524	P	95.3	Very high	91.9	Very high	90 Å²	90	51.4 Å²	51.4	58%	0.584	27%	0.273	S	S	*	.	H	α-helix	trans	-56.8	-41.2	173.6	-27.2	34.8	0	0	0	113.9	S522 K528	S522-P524 WeakPolarHBondContact OG-CD 3.29Å; P524-K528 WeakPolarHBondContact O-CB 3.33Å; P524-K528 PolarHBondContact O-N 2.96Å
525	D	94	Very high	90.6	Very high	70 Å²	70	47.1 Å²	47.1	37%	0.374	25%	0.253	S	S	.	.	H	α-helix	trans	-69.6	-46.4	-176.6	-62.6	-38.4	0	0	0	111.6	H521 S522 L523 L527 K528 V529	H521-D525 HydrophobicContact CB-CB 4.17Å; S522-D525 WeakPolarHBondContact CB-OD2 3.42Å; S522-D525 PolarHBondContact O-N 3.24Å; S522-D525 VanDerWaalsContact O-N 3.09Å; S522-D525 PolarHBondContact OG-N 3.42Å; S522-D525 PolarHBondContact OG-OD2 3.23Å; L523-D525 VanDerWaalsContact C-N 3.3Å; L523-D525 PolarHBondContact O-N 2.83Å; D525-L527 VanDerWaalsContact C-N 3.29Å; D525-L527 PolarHBondContact O-N 2.98Å; D525-K528 WeakPolarHBondContact O-CB 3.49Å; D525-K528 PolarHBondContact O-N 3.35Å; D525-V529 WeakPolarHBondContact O-CG2 3.29Å; D525-V529 PolarHBondContact O-N 2.89Å
526	I	93.3	Very high	88.9	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-65.1	-35.5	179.2	-162.5	173.8	0	0	0	111.8	F505 H521 S522 L523 V529 F530 Y548	F505-I526 HydrophobicContact CD1-CG2 4Å; F505-I526 HydrophobicContact CD2-CD1 3.81Å; F505-I526 HydrophobicContact CD2-CG2 4.18Å; F505-I526 HydrophobicContact CE1-CG2 3.74Å; F505-I526 HydrophobicContact CE2-CB 4.37Å; F505-I526 HydrophobicContact CE2-CD1 3.21Å; F505-I526 HydrophobicContact CE2-CG1 4.35Å; F505-I526 HydrophobicContact CE2-CG2 3.96Å; F505-I526 HydrophobicContact CG-CG2 4.2Å; F505-I526 HydrophobicContact CZ-CB 4.14Å; F505-I526 HydrophobicContact CZ-CD1 3.79Å; F505-I526 HydrophobicContact CZ-CG2 3.73Å; H521-I526 HydrophobicContact CB-CB 4.1Å; S522-I526 PolarHBondContact O-N 3.03Å; L523-I526 HydrophobicContact CD1-CG2 4.37Å; L523-I526 WeakPolarHBondContact O-CG2 3.31Å; I526-V529 WeakPolarHBondContact O-CB 3.35Å; I526-V529 PolarHBondContact O-N 3.42Å; I526-F530 HydrophobicContact CD1-CD2 4.35Å; I526-F530 HydrophobicContact CD1-CE2 3.53Å; I526-F530 HydrophobicContact CD1-CZ 4.14Å; I526-F530 HydrophobicContact CG1-CD2 3.77Å; I526-F530 HydrophobicContact CG1-CE2 3.42Å; I526-F530 VanDerWaalsContact CG1-CE2 3.42Å; I526-F530 HydrophobicContact CG1-CZ 4.18Å; I526-F530 VanDerWaalsContact O-CD2 3.31Å; I526-F530 WeakPolarHBondContact O-CD2 3.47Å; I526-F530 PolarHBondContact O-N 3.37Å; I526-Y548 HydrophobicContact CD1-CE1 3.89Å; I526-Y548 HydrophobicContact CD1-CE2 4.4Å; I526-Y548 HydrophobicContact CG1-CE2 4.18Å
527	L	94.1	Very high	87.4	Confident	23 Å²	23	55.2 Å²	55.2	12%	0.12	29%	0.292	C	S	.	.	H	α-helix	trans	-65.2	-42.9	174.4	-69.5	169.5	0	0	0	111.7	L498 I501 K502 L523 D525 V529 F530 E531	L498-L527 HydrophobicContact CB-CD2 4.36Å; I501-L527 HydrophobicContact CB-CD2 4.19Å; I501-L527 HydrophobicContact CG2-CD2 3.97Å; K502-L527 HydrophobicContact CD-CD1 4.15Å; K502-L527 HydrophobicContact CG-CD1 3.64Å; K502-L527 HydrophobicContact CG-CD2 3.88Å; K502-L527 HydrophobicContact CG-CG 4.36Å; L523-L527 HydrophobicContact CD1-CD1 3.84Å; L523-L527 HydrophobicContact CD1-CD2 4.48Å; L523-L527 HydrophobicContact CD1-CG 3.98Å; L523-L527 HydrophobicContact CG-CD1 3.94Å; L523-L527 WeakPolarHBondContact O-CB 3.18Å; L523-L527 WeakPolarHBondContact O-CD1 3.34Å; L523-L527 WeakPolarHBondContact O-CG 3.23Å; L523-L527 PolarHBondContact O-N 3.21Å; L523-L527 VanDerWaalsContact O-N 3.16Å; D525-L527 VanDerWaalsContact C-N 3.29Å; D525-L527 PolarHBondContact O-N 2.98Å; L527-V529 VanDerWaalsContact C-N 3.25Å; L527-V529 PolarHBondContact O-N 2.86Å; L527-F530 PolarHBondContact O-N 3.47Å; L527-E531 VanDerWaalsContact O-CB 3.28Å; L527-E531 WeakPolarHBondContact O-CB 3.44Å; L527-E531 PolarHBondContact O-N 3.46Å
528	K	92.7	Very high	86.6	Confident	135 Å²	135	59.2 Å²	59.2	59%	0.587	30%	0.302	S	S	*	.	H	α-helix	trans	-62.4	-34.7	175	-177	-179	-179.6	-178.2	0	111.7	P524 D525	P524-K528 WeakPolarHBondContact O-CB 3.33Å; P524-K528 PolarHBondContact O-N 2.96Å; D525-K528 WeakPolarHBondContact O-CB 3.49Å; D525-K528 PolarHBondContact O-N 3.35Å
529	V	91.4	Very high	86.4	Confident	11 Å²	11	57.1 Å²	57.1	7%	0.067	29%	0.289	C	S	.	.	H	α-helix	trans	-65	-54.1	173.3	169.7	0	0	0	0	110.2	L380 D525 I526 L527 E531 K532 F533 Y548	L380-V529 HydrophobicContact CD1-CG1 3.41Å; L380-V529 VanDerWaalsContact CD1-CG1 3.41Å; D525-V529 WeakPolarHBondContact O-CG2 3.29Å; D525-V529 PolarHBondContact O-N 2.89Å; I526-V529 WeakPolarHBondContact O-CB 3.35Å; I526-V529 PolarHBondContact O-N 3.42Å; L527-V529 VanDerWaalsContact C-N 3.25Å; L527-V529 PolarHBondContact O-N 2.86Å; V529-E531 VanDerWaalsContact C-N 3.34Å; V529-E531 PolarHBondContact O-N 3.35Å; V529-K532 WeakPolarHBondContact O-CB 3.38Å; V529-K532 PolarHBondContact O-N 3.18Å; V529-F533 HydrophobicContact CG1-CE2 4.33Å; V529-F533 WeakPolarHBondContact O-CD2 3.25Å; V529-Y548 HydrophobicContact CG1-CD2 3.92Å; V529-Y548 HydrophobicContact CG1-CE2 4.18Å
530	F	92.7	Very high	86.4	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-67.1	-31.7	-177.7	-71.7	-48.6	0	0	0	113.7	L498 I501 I526 L527 K532 F533 V534 L540 F545 Y548	L498-F530 HydrophobicContact CD2-CB 3.77Å; I501-F530 HydrophobicContact CD1-CB 4.4Å; I501-F530 HydrophobicContact CD1-CD2 3.42Å; I501-F530 VanDerWaalsContact CD1-CD2 3.42Å; I501-F530 HydrophobicContact CD1-CE2 3.82Å; I501-F530 HydrophobicContact CD1-CG 4.07Å; I501-F530 HydrophobicContact CG2-CD2 4.45Å; I526-F530 HydrophobicContact CD1-CD2 4.35Å; I526-F530 HydrophobicContact CD1-CE2 3.53Å; I526-F530 HydrophobicContact CD1-CZ 4.14Å; I526-F530 HydrophobicContact CG1-CD2 3.77Å; I526-F530 HydrophobicContact CG1-CE2 3.42Å; I526-F530 VanDerWaalsContact CG1-CE2 3.42Å; I526-F530 HydrophobicContact CG1-CZ 4.18Å; I526-F530 VanDerWaalsContact O-CD2 3.31Å; I526-F530 WeakPolarHBondContact O-CD2 3.47Å; I526-F530 PolarHBondContact O-N 3.37Å; L527-F530 PolarHBondContact O-N 3.47Å; F530-K532 PolarHBondContact O-N 2.96Å; F530-K532 VanDerWaalsContact O-N 3.13Å; F530-F533 PolarHBondContact O-N 3.42Å; F530-V534 VanDerWaalsContact O-CG2 3.24Å; F530-V534 WeakPolarHBondContact O-CG2 3.23Å; F530-V534 PolarHBondContact O-N 3.47Å; F530-V534 VanDerWaalsContact O-N 3.1Å; F530-L540 HydrophobicContact CB-CD1 4.26Å; F530-L540 HydrophobicContact CB-CD2 4.2Å; F530-L540 HydrophobicContact CD1-CD1 3.71Å; F530-L540 HydrophobicContact CD1-CD2 3.5Å; F530-L540 HydrophobicContact CD1-CG 4.28Å; F530-L540 HydrophobicContact CD2-CD2 4.11Å; F530-L540 HydrophobicContact CE1-CD1 4.42Å; F530-L540 HydrophobicContact CE1-CD2 3.79Å; F530-L540 HydrophobicContact CE2-CD2 4.32Å; F530-L540 HydrophobicContact CG-CD1 4.26Å; F530-L540 HydrophobicContact CG-CD2 3.69Å; F530-L540 HydrophobicContact CZ-CD2 4.19Å; F530-F545 HydrophobicContact CE1-CD2 4.2Å; F530-F545 HydrophobicContact CE2-CD2 4.34Å; F530-F545 HydrophobicContact CE2-CE2 4.45Å; F530-F545 AromaticContact CZ-CD2 3.71Å; F530-F545 HydrophobicContact CZ-CD2 3.71Å; F530-F545 HydrophobicContact CZ-CE2 4.09Å; F530-Y548 HydrophobicContact CE1-CD1 4.5Å; F530-Y548 HydrophobicContact CE1-CD2 4.28Å; F530-Y548 AromaticContact CE1-CG 3.91Å; F530-Y548 HydrophobicContact CE1-CG 3.91Å; F530-Y548 HydrophobicContact CZ-CD1 4.01Å; F530-Y548 HydrophobicContact CZ-CD2 4.3Å; F530-Y548 AromaticContact CZ-CG 3.85Å; F530-Y548 HydrophobicContact CZ-CG 3.85Å
531	E	91.1	Very high	86.5	Confident	134 Å²	134	56.3 Å²	56.3	63%	0.626	28%	0.284	S	S	*	.	H	α-helix	trans	-57.3	-27.6	174.6	-173.5	170.4	-152	0	0	112.5	L498 L527 V529	L498-E531 HydrophobicContact CD1-CB 4.38Å; L527-E531 VanDerWaalsContact O-CB 3.28Å; L527-E531 WeakPolarHBondContact O-CB 3.44Å; L527-E531 PolarHBondContact O-N 3.46Å; V529-E531 VanDerWaalsContact C-N 3.34Å; V529-E531 PolarHBondContact O-N 3.35Å
532	K	88.7	Confident	86.5	Confident	104 Å²	104	56.1 Å²	56.1	45%	0.452	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-26.7	174.2	-62	173.7	-179.7	179.9	0	113.8	L384 V529 F530	L384-K532 HydrophobicContact CD1-CB 3.92Å; L384-K532 HydrophobicContact CD1-CD 3.97Å; V529-K532 WeakPolarHBondContact O-CB 3.38Å; V529-K532 PolarHBondContact O-N 3.18Å; F530-K532 PolarHBondContact O-N 2.96Å; F530-K532 VanDerWaalsContact O-N 3.13Å
533	F	84.2	Confident	86.4	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.009	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-37.5	-179.3	-77.4	-91.5	0	0	0	111.8	L380 H383 L384 R387 V529 F530 H535 L540 E544 V547	L380-F533 HydrophobicContact CB-CE2 4.17Å; L380-F533 HydrophobicContact CB-CZ 3.98Å; L380-F533 HydrophobicContact CD1-CE2 4.25Å; L380-F533 HydrophobicContact CD2-CE2 4Å; L380-F533 HydrophobicContact CD2-CZ 3.55Å; L380-F533 HydrophobicContact CG-CE2 4.35Å; L380-F533 HydrophobicContact CG-CZ 4.21Å; H383-F533 AromaticContact CD2-CE1 3.44Å; H383-F533 VanDerWaalsContact CD2-CE1 3.44Å; H383-F533 WeakPolarHBondContact CD2-CE1 3.31Å; H383-F533 AromaticContact NE2-CE1 3.77Å; L384-F533 HydrophobicContact CD2-CD1 4.49Å; L384-F533 HydrophobicContact CD2-CE1 4.4Å; L384-F533 HydrophobicContact CD2-CZ 4.44Å; L384-F533 HydrophobicContact CG-CZ 4.44Å; R387-F533 PolarHBondContact NH1-O 3.43Å; R387-F533 PolarHBondContact NH2-O 3.44Å; R387-F533 VanDerWaalsContact NH2-O 3.08Å; V529-F533 HydrophobicContact CG1-CE2 4.33Å; V529-F533 WeakPolarHBondContact O-CD2 3.25Å; F530-F533 PolarHBondContact O-N 3.42Å; F533-H535 PolarHBondContact O-N 3.45Å; F533-L540 HydrophobicContact CB-CD1 4.02Å; F533-E544 HydrophobicContact CB-CB 4.2Å; F533-E544 HydrophobicContact CB-CG 4.35Å; F533-E544 HydrophobicContact CD1-CB 4Å; F533-E544 HydrophobicContact CD1-CG 4.07Å; F533-E544 HydrophobicContact CG-CB 4.36Å; F533-V547 HydrophobicContact CE1-CG1 4.26Å; F533-V547 HydrophobicContact CZ-CG1 4.45Å
534	V	80.5	Confident	86.2	Confident	26 Å²	26	53.3 Å²	53.3	16%	0.158	27%	0.266	C	S	.	.			trans	-56	130.2	-173.5	165.1	0	0	0	0	112.8	L498 F530 K538 L540	L498-V534 HydrophobicContact CD2-CG2 4.03Å; L498-V534 HydrophobicContact CG-CG2 4.31Å; F530-V534 VanDerWaalsContact O-CG2 3.24Å; F530-V534 WeakPolarHBondContact O-CG2 3.23Å; F530-V534 PolarHBondContact O-N 3.47Å; F530-V534 VanDerWaalsContact O-N 3.1Å; V534-K538 HydrophobicContact CG1-CB 4.37Å; V534-L540 HydrophobicContact CG2-CB 4.05Å; V534-L540 HydrophobicContact CG2-CD1 4.28Å
535	H	67.1	Low	86.2	Confident	47 Å²	47	49 Å²	49	22%	0.218	24%	0.238	C	C	.	.			trans	-74.8	-176.5	176.7	-77.5	-82.6	0	0	0	113	D196 R387 F533 Q537 K538	D196-H535 IonicContact OD1-CE1 2.85Å; D196-H535 PolarHBondContact OD1-CE1 3.22Å; R387-H535 PolarHBondContact NH2-CD2 3.36Å; R387-H535 VanDerWaalsContact NH2-CD2 3.27Å; R387-H535 PolarHBondContact NH2-CE1 3.03Å; R387-H535 PolarHBondContact NH2-ND1 3.48Å; R387-H535 PolarHBondContact NH2-NE2 3.07Å; F533-H535 PolarHBondContact O-N 3.45Å; H535-Q537 PolarHBondContact O-N 3.46Å; H535-K538 PolarHBondContact O-N 3.25Å; H535-K538 VanDerWaalsContact O-N 3.09Å
536	V	58.7	Low	86.3	Confident	139 Å²	139	47 Å²	47	84%	0.842	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-21.1	-178.9	-179.9	0	0	0	0	114.2
537	Q	62.4	Low	86.3	Confident	102 Å²	102	47.5 Å²	47.5	48%	0.477	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	11.8	-175.6	-68.9	175.9	-15.2	0	0	115.1	H535 R539	H535-Q537 PolarHBondContact O-N 3.46Å; Q537-R539 HydrophobicContact CB-CG 4.35Å; Q537-R539 PolarHBondContact O-N 3.12Å; Q537-R539 VanDerWaalsContact O-N 3.14Å
538	K	74	Confident	86.4	Confident	163 Å²	163	46.8 Å²	46.8	71%	0.709	23%	0.225	S	C	*	.	S	Bend	trans	61.1	19.8	-179	-62	-174.2	-180	179.2	0	115.2	V534 H535	V534-K538 HydrophobicContact CG1-CB 4.37Å; H535-K538 PolarHBondContact O-N 3.25Å; H535-K538 VanDerWaalsContact O-N 3.09Å
539	R	86.5	Confident	86.5	Confident	20 Å²	20	40.6 Å²	40.6	8%	0.075	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	138.5	178.5	-66.8	172.7	-174.4	171.5	21.6	111.4	D210 H495 I496 Q537	D210-R539 VanDerWaalsContact CA-NH2 3.32Å; D210-R539 IonicContact OD1-CZ 3.26Å; D210-R539 IonicContact OD1-NE 3.24Å; D210-R539 IonicContact OD1-NH2 3.05Å; D210-R539 PolarHBondContact OD1-NH2 2.8Å; H495-R539 HydrophobicContact CB-CB 4.26Å; H495-R539 WeakPolarHBondContact ND1-CD 3.33Å; I496-R539 WeakPolarHBondContact O-CA 3.28Å; Q537-R539 HydrophobicContact CB-CG 4.35Å; Q537-R539 PolarHBondContact O-N 3.12Å; Q537-R539 VanDerWaalsContact O-N 3.14Å
540	L	92.4	Very high	86.7	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	120.7	172.2	-178.7	71.2	0	0	0	109	H495 I496 I501 F530 F533 V534 E544 F545	H495-L540 CarbonylContact C-O 3.49Å; H495-L540 VanDerWaalsContact CA-O 3.25Å; H495-L540 WeakPolarHBondContact CA-O 3.28Å; I496-L540 HydrophobicContact CD1-CD2 4.47Å; I496-L540 HydrophobicContact CG1-CB 4.2Å; I496-L540 PolarHBondContact N-O 3.19Å; I496-L540 PolarHBondContact O-N 3.47Å; I501-L540 HydrophobicContact CD1-CD2 3.62Å; F530-L540 HydrophobicContact CB-CD1 4.26Å; F530-L540 HydrophobicContact CB-CD2 4.2Å; F530-L540 HydrophobicContact CD1-CD1 3.71Å; F530-L540 HydrophobicContact CD1-CD2 3.5Å; F530-L540 HydrophobicContact CD1-CG 4.28Å; F530-L540 HydrophobicContact CD2-CD2 4.11Å; F530-L540 HydrophobicContact CE1-CD1 4.42Å; F530-L540 HydrophobicContact CE1-CD2 3.79Å; F530-L540 HydrophobicContact CE2-CD2 4.32Å; F530-L540 HydrophobicContact CG-CD1 4.26Å; F530-L540 HydrophobicContact CG-CD2 3.69Å; F530-L540 HydrophobicContact CZ-CD2 4.19Å; F533-L540 HydrophobicContact CB-CD1 4.02Å; V534-L540 HydrophobicContact CG2-CB 4.05Å; V534-L540 HydrophobicContact CG2-CD1 4.28Å; L540-E544 HydrophobicContact CD1-CB 3.71Å; L540-F545 HydrophobicContact CD2-CB 4.26Å; L540-F545 HydrophobicContact CD2-CD2 4Å
541	E	92.7	Very high	86.9	Confident	18 Å²	18	40.5 Å²	40.5	8%	0.084	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	148.6	178.4	-69.5	-68	156.3	0	0	111.4	S214 S216 T543 E544 F545	S214-E541 WeakPolarHBondContact CB-OE1 3.24Å; S214-E541 VanDerWaalsContact CB-OE2 3.22Å; S214-E541 WeakPolarHBondContact CB-OE2 3.42Å; S214-E541 PolarHBondContact OG-OE2 3.36Å; S216-E541 WeakPolarHBondContact CB-OE2 3.41Å; S216-E541 PolarHBondContact OG-OE2 2.65Å; E541-T543 PolarHBondContact O-N 2.95Å; E541-E544 HydrophobicContact CB-CB 4.47Å; E541-E544 HydrophobicContact CB-CG 4.05Å; E541-E544 PolarHBondContact N-OE2 3.38Å; E541-E544 WeakPolarHBondContact O-CB 3.22Å; E541-E544 PolarHBondContact O-N 3.02Å; E541-F545 PolarHBondContact O-N 2.85Å
542	Y	94.7	Very high	87.1	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-56.1	-38.3	174.8	167.2	-95.8	0	0	0	112.2	A219 L220 V481 K482 F485 G494 E544 F545 E546	A219-Y542 HydrophobicContact CB-CD1 3.66Å; A219-Y542 HydrophobicContact CB-CE1 3.74Å; L220-Y542 HydrophobicContact CD1-CG 4.49Å; L220-Y542 HydrophobicContact CD2-CD1 4.11Å; L220-Y542 HydrophobicContact CD2-CD2 3.4Å; L220-Y542 HydrophobicContact CD2-CE1 4.34Å; L220-Y542 HydrophobicContact CD2-CE2 3.62Å; L220-Y542 HydrophobicContact CD2-CG 3.65Å; L220-Y542 HydrophobicContact CG-CD1 4.24Å; L220-Y542 HydrophobicContact CG-CD2 4.19Å; L220-Y542 HydrophobicContact CG-CG 3.92Å; V481-Y542 HydrophobicContact CG1-CE2 4.39Å; K482-Y542 HydrophobicContact CG-CE2 3.82Å; K482-Y542 WeakPolarHBondContact CG-OH 3.32Å; F485-Y542 HydrophobicContact CB-CD2 3.74Å; F485-Y542 HydrophobicContact CB-CE2 4.16Å; F485-Y542 AromaticContact CD1-CD2 3.92Å; F485-Y542 HydrophobicContact CD1-CD2 3.92Å; F485-Y542 HydrophobicContact CD1-CG 4.41Å; F485-Y542 AromaticContact CD2-CD2 3.87Å; F485-Y542 HydrophobicContact CD2-CD2 3.87Å; F485-Y542 HydrophobicContact CE1-CD2 4.49Å; F485-Y542 HydrophobicContact CE2-CD2 4.43Å; F485-Y542 AromaticContact CG-CD2 3.56Å; F485-Y542 HydrophobicContact CG-CD2 3.56Å; F485-Y542 HydrophobicContact CG-CE2 4.45Å; F485-Y542 HydrophobicContact CG-CG 4.39Å; G494-Y542 PolarHBondContact O-N 3.41Å; Y542-E544 VanDerWaalsContact C-N 3.26Å; Y542-E544 PolarHBondContact O-N 2.85Å; Y542-F545 WeakPolarHBondContact O-CB 3.48Å; Y542-F545 PolarHBondContact O-N 2.72Å; Y542-E546 HydrophobicContact CE1-CB 4.19Å; Y542-E546 VanDerWaalsContact CE1-OE2 3.32Å; Y542-E546 WeakPolarHBondContact CE1-OE2 3.45Å; Y542-E546 VanDerWaalsContact CZ-OE2 3.27Å; Y542-E546 WeakPolarHBondContact O-CB 3.31Å; Y542-E546 PolarHBondContact O-N 3.05Å; Y542-E546 PolarHBondContact OH-OE2 3.05Å
543	T	92.4	Very high	87.3	Confident	24 Å²	24	29.3 Å²	29.3	15%	0.147	15%	0.146	C	C	.	.	H	α-helix	trans	-64.2	-32.4	178.2	53.2	0	0	0	0	112.2	S216 E541 V547	S216-T543 PolarHBondContact OG-OG1 3.44Å; E541-T543 PolarHBondContact O-N 2.95Å; T543-V547 WeakPolarHBondContact O-CG2 3.5Å; T543-V547 PolarHBondContact O-N 3.22Å; T543-V547 VanDerWaalsContact O-N 3.1Å
544	E	92.1	Very high	87.8	Confident	11 Å²	11	29.2 Å²	29.2	5%	0.051	15%	0.146	C	C	.	.	H	α-helix	trans	-74.3	-38.6	175.8	-63	174.7	137.8	0	0	111.1	R387 F533 L540 E541 Y542 E546 V547 Y548	R387-E544 IonicContact CZ-OE1 3.46Å; R387-E544 IonicContact NH1-OE1 3.16Å; R387-E544 PolarHBondContact NH1-OE1 3.49Å; R387-E544 IonicContact NH2-OE1 3Å; R387-E544 PolarHBondContact NH2-OE1 2.86Å; R387-E544 VanDerWaalsContact NH2-OE1 3.13Å; F533-E544 HydrophobicContact CB-CB 4.2Å; F533-E544 HydrophobicContact CB-CG 4.35Å; F533-E544 HydrophobicContact CD1-CB 4Å; F533-E544 HydrophobicContact CD1-CG 4.07Å; F533-E544 HydrophobicContact CG-CB 4.36Å; L540-E544 HydrophobicContact CD1-CB 3.71Å; E541-E544 HydrophobicContact CB-CB 4.47Å; E541-E544 HydrophobicContact CB-CG 4.05Å; E541-E544 PolarHBondContact N-OE2 3.38Å; E541-E544 WeakPolarHBondContact O-CB 3.22Å; E541-E544 PolarHBondContact O-N 3.02Å; Y542-E544 VanDerWaalsContact C-N 3.26Å; Y542-E544 PolarHBondContact O-N 2.85Å; E544-E546 VanDerWaalsContact C-N 3.34Å; E544-V547 PolarHBondContact O-N 3.42Å; E544-Y548 PolarHBondContact O-N 3.2Å
545	F	95.2	Very high	88.5	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.3	-40.8	171.8	-172.9	-98.2	0	0	0	112.2	V481 V484 F485 M488 F530 L540 E541 Y542 Y548 Y549 W607	V481-F545 HydrophobicContact CG1-CD1 3.74Å; V481-F545 HydrophobicContact CG1-CE1 3.73Å; V484-F545 HydrophobicContact CB-CE1 4.35Å; V484-F545 HydrophobicContact CB-CZ 4.4Å; V484-F545 HydrophobicContact CG1-CE1 4.09Å; V484-F545 HydrophobicContact CG1-CZ 3.65Å; F485-F545 HydrophobicContact CB-CD1 4.26Å; F485-F545 HydrophobicContact CB-CE1 4.2Å; F485-F545 HydrophobicContact CD2-CB 3.87Å; F485-F545 AromaticContact CD2-CD1 3.67Å; F485-F545 HydrophobicContact CD2-CD1 3.67Å; F485-F545 HydrophobicContact CD2-CD2 4.25Å; F485-F545 HydrophobicContact CD2-CE1 4.17Å; F485-F545 AromaticContact CD2-CG 3.68Å; F485-F545 HydrophobicContact CD2-CG 3.68Å; F485-F545 HydrophobicContact CE2-CB 3.94Å; F485-F545 HydrophobicContact CE2-CG 4.17Å; F485-F545 HydrophobicContact CG-CD1 4.44Å; M488-F545 HydrophobicContact CE-CE2 3.85Å; M488-F545 HydrophobicContact CE-CZ 3.79Å; F530-F545 HydrophobicContact CE1-CD2 4.2Å; F530-F545 HydrophobicContact CE2-CD2 4.34Å; F530-F545 HydrophobicContact CE2-CE2 4.45Å; F530-F545 AromaticContact CZ-CD2 3.71Å; F530-F545 HydrophobicContact CZ-CD2 3.71Å; F530-F545 HydrophobicContact CZ-CE2 4.09Å; L540-F545 HydrophobicContact CD2-CB 4.26Å; L540-F545 HydrophobicContact CD2-CD2 4Å; E541-F545 PolarHBondContact O-N 2.85Å; Y542-F545 WeakPolarHBondContact O-CB 3.48Å; Y542-F545 PolarHBondContact O-N 2.72Å; F545-Y548 WeakPolarHBondContact O-CB 3.5Å; F545-Y548 PolarHBondContact O-N 2.72Å; F545-Y549 AromaticContact CD1-CD2 3.99Å; F545-Y549 HydrophobicContact CD1-CD2 3.99Å; F545-Y549 HydrophobicContact CD1-CE2 4.11Å; F545-Y549 HydrophobicContact CD2-CE2 4.32Å; F545-Y549 AromaticContact CE1-CD2 3.72Å; F545-Y549 HydrophobicContact CE1-CD2 3.72Å; F545-Y549 AromaticContact CE1-CE2 3.52Å; F545-Y549 HydrophobicContact CE1-CE2 3.52Å; F545-Y549 AromaticContact CE2-CE2 3.75Å; F545-Y549 HydrophobicContact CE2-CE2 3.75Å; F545-Y549 HydrophobicContact CG-CE2 4.49Å; F545-Y549 HydrophobicContact CZ-CD2 4.04Å; F545-Y549 AromaticContact CZ-CE2 3.33Å; F545-Y549 HydrophobicContact CZ-CE2 3.33Å; F545-Y549 WeakPolarHBondContact O-CD2 3.17Å; F545-Y549 PolarHBondContact O-N 3.22Å; F545-W607 AromaticContact CE2-CH2 3.92Å; F545-W607 HydrophobicContact CE2-CH2 3.92Å; F545-W607 AromaticContact CE2-CZ2 3.62Å; F545-W607 HydrophobicContact CE2-CZ2 3.62Å; F545-W607 HydrophobicContact CZ-CH2 4.16Å; F545-W607 AromaticContact CZ-CZ2 3.63Å; F545-W607 HydrophobicContact CZ-CZ2 3.63Å
546	E	95.1	Very high	89.7	Confident	29 Å²	29	27.7 Å²	27.7	14%	0.136	14%	0.139	C	C	.	.	H	α-helix	trans	-63.4	-42.5	176	-175.9	173.4	77.3	0	0	111.5	L473 R478 Y542 E544 Y548 Y549 Q550	L473-E546 HydrophobicContact CD2-CG 4.19Å; R478-E546 WeakPolarHBondContact CD-OE2 3.29Å; R478-E546 WeakPolarHBondContact CG-OE2 3.34Å; R478-E546 IonicContact CZ-OE2 3.93Å; R478-E546 IonicContact NE-OE2 3.97Å; R478-E546 PolarHBondContact NE-OE2 2.87Å; R478-E546 IonicContact NH2-OE2 3.7Å; R478-E546 PolarHBondContact NH2-OE2 2.87Å; Y542-E546 HydrophobicContact CE1-CB 4.19Å; Y542-E546 VanDerWaalsContact CE1-OE2 3.32Å; Y542-E546 WeakPolarHBondContact CE1-OE2 3.45Å; Y542-E546 VanDerWaalsContact CZ-OE2 3.27Å; Y542-E546 WeakPolarHBondContact O-CB 3.31Å; Y542-E546 PolarHBondContact O-N 3.05Å; Y542-E546 PolarHBondContact OH-OE2 3.05Å; E544-E546 VanDerWaalsContact C-N 3.34Å; E546-Y548 VanDerWaalsContact C-N 3.3Å; E546-Y548 PolarHBondContact O-N 2.94Å; E546-Y549 CarbonylContact O-C 3.55Å; E546-Y549 PolarHBondContact O-N 3.27Å; E546-Y549 VanDerWaalsContact O-N 3.09Å; E546-Q550 WeakPolarHBondContact O-CB 3.35Å; E546-Q550 PolarHBondContact O-N 2.99Å
547	V	93.7	Very high	91.2	Very high	10 Å²	10	22 Å²	22	6%	0.061	11%	0.109	C	C	.	.	H	α-helix	trans	-58.4	-40.6	176.2	165.9	0	0	0	0	111.7	Y379 L380 H383 F533 T543 E544 Y549 Q550 A551	Y379-V547 HydrophobicContact CE1-CG1 4.17Å; L380-V547 HydrophobicContact CD2-CG1 3.84Å; H383-V547 VanDerWaalsContact CE1-CG2 3.49Å; H383-V547 WeakPolarHBondContact CE1-CG2 3.37Å; F533-V547 HydrophobicContact CE1-CG1 4.26Å; F533-V547 HydrophobicContact CZ-CG1 4.45Å; T543-V547 WeakPolarHBondContact O-CG2 3.5Å; T543-V547 PolarHBondContact O-N 3.22Å; T543-V547 VanDerWaalsContact O-N 3.1Å; E544-V547 PolarHBondContact O-N 3.42Å; V547-Y549 VanDerWaalsContact C-N 3.35Å; V547-Y549 PolarHBondContact O-N 2.73Å; V547-Q550 PolarHBondContact O-N 2.95Å; V547-A551 PolarHBondContact O-N 3.44Å
548	Y	95.6	Very high	92.4	Very high	7 Å²	7	19.2 Å²	19.2	3%	0.027	10%	0.095	C	C	.	.	H	α-helix	trans	-59	-46.5	174.2	174.1	-91.3	0	0	0	111.6	I376 L380 H521 I526 V529 F530 E544 F545 E546 A551 V552	I376-Y548 HydrophobicContact CG2-CD2 4.36Å; I376-Y548 HydrophobicContact CG2-CE2 4.08Å; L380-Y548 HydrophobicContact CD1-CD2 3.91Å; H521-Y548 AromaticContact CE1-CE2 3.94Å; H521-Y548 AromaticContact ND1-CE2 3.59Å; H521-Y548 AromaticContact ND1-CZ 3.63Å; H521-Y548 PolarHBondContact ND1-OH 3.38Å; I526-Y548 HydrophobicContact CD1-CE1 3.89Å; I526-Y548 HydrophobicContact CD1-CE2 4.4Å; I526-Y548 HydrophobicContact CG1-CE2 4.18Å; V529-Y548 HydrophobicContact CG1-CD2 3.92Å; V529-Y548 HydrophobicContact CG1-CE2 4.18Å; F530-Y548 HydrophobicContact CE1-CD1 4.5Å; F530-Y548 HydrophobicContact CE1-CD2 4.28Å; F530-Y548 AromaticContact CE1-CG 3.91Å; F530-Y548 HydrophobicContact CE1-CG 3.91Å; F530-Y548 HydrophobicContact CZ-CD1 4.01Å; F530-Y548 HydrophobicContact CZ-CD2 4.3Å; F530-Y548 AromaticContact CZ-CG 3.85Å; F530-Y548 HydrophobicContact CZ-CG 3.85Å; E544-Y548 PolarHBondContact O-N 3.2Å; F545-Y548 WeakPolarHBondContact O-CB 3.5Å; F545-Y548 PolarHBondContact O-N 2.72Å; E546-Y548 VanDerWaalsContact C-N 3.3Å; E546-Y548 PolarHBondContact O-N 2.94Å; Y548-A551 VanDerWaalsContact O-CB 3.28Å; Y548-A551 WeakPolarHBondContact O-CB 3.45Å; Y548-A551 PolarHBondContact O-N 3.38Å; Y548-V552 HydrophobicContact CD1-CG2 4.16Å; Y548-V552 HydrophobicContact CE1-CG2 3.72Å; Y548-V552 WeakPolarHBondContact O-CG2 3.18Å; Y548-V552 PolarHBondContact O-N 2.84Å
549	Y	95.9	Very high	93.1	Very high	5 Å²	5	11.7 Å²	11.7	2%	0.02	6%	0.063	C	C	.	.	H	α-helix	trans	-76	-23.5	-180	-76.4	-62.5	0	0	0	114.2	V481 F545 E546 V547 A551 V552 S553 F599 I603 W607	V481-Y549 HydrophobicContact CG1-CD2 3.81Å; V481-Y549 HydrophobicContact CG1-CG 4.28Å; V481-Y549 HydrophobicContact CG2-CD2 4.05Å; V481-Y549 HydrophobicContact CG2-CG 3.77Å; F545-Y549 AromaticContact CD1-CD2 3.99Å; F545-Y549 HydrophobicContact CD1-CD2 3.99Å; F545-Y549 HydrophobicContact CD1-CE2 4.11Å; F545-Y549 HydrophobicContact CD2-CE2 4.32Å; F545-Y549 AromaticContact CE1-CD2 3.72Å; F545-Y549 HydrophobicContact CE1-CD2 3.72Å; F545-Y549 AromaticContact CE1-CE2 3.52Å; F545-Y549 HydrophobicContact CE1-CE2 3.52Å; F545-Y549 AromaticContact CE2-CE2 3.75Å; F545-Y549 HydrophobicContact CE2-CE2 3.75Å; F545-Y549 HydrophobicContact CG-CE2 4.49Å; F545-Y549 HydrophobicContact CZ-CD2 4.04Å; F545-Y549 AromaticContact CZ-CE2 3.33Å; F545-Y549 HydrophobicContact CZ-CE2 3.33Å; F545-Y549 WeakPolarHBondContact O-CD2 3.17Å; F545-Y549 PolarHBondContact O-N 3.22Å; E546-Y549 CarbonylContact O-C 3.55Å; E546-Y549 PolarHBondContact O-N 3.27Å; E546-Y549 VanDerWaalsContact O-N 3.09Å; V547-Y549 VanDerWaalsContact C-N 3.35Å; V547-Y549 PolarHBondContact O-N 2.73Å; Y549-A551 VanDerWaalsContact C-N 3.33Å; Y549-V552 HydrophobicContact CD1-CB 4.24Å; Y549-V552 HydrophobicContact CD1-CG2 4.06Å; Y549-V552 HydrophobicContact CE1-CG2 4.37Å; Y549-V552 PolarHBondContact O-N 3.4Å; Y549-S553 WeakPolarHBondContact O-CB 3.48Å; Y549-S553 PolarHBondContact O-N 2.94Å; Y549-F599 HydrophobicContact CD1-CE2 4.2Å; Y549-F599 HydrophobicContact CD1-CZ 4.25Å; Y549-F599 WeakPolarHBondContact O-CE2 3.2Å; Y549-I603 HydrophobicContact CD1-CD1 3.19Å; Y549-I603 HydrophobicContact CE1-CD1 2.99Å; Y549-I603 HydrophobicContact CE1-CG1 4.49Å; Y549-I603 HydrophobicContact CG-CD1 4.13Å; Y549-W607 HydrophobicContact CE2-CZ2 4.48Å; Y549-W607 AromaticContact CZ-NE1 3.57Å; Y549-W607 VanDerWaalsContact OH-CE2 3.31Å; Y549-W607 WeakPolarHBondContact OH-CZ2 3.07Å; Y549-W607 PolarHBondContact OH-NE1 3.44Å
550	Q	95.1	Very high	93.1	Very high	9 Å²	9	12.1 Å²	12.1	4%	0.042	7%	0.069	C	C	.	.	H	α-helix	trans	-63.8	-41.1	166.5	-166	177.6	-11.9	0	0	110.8	Y379 S467 G471 L473 E546 V547 S553 T554	Y379-Q550 WeakPolarHBondContact OH-CG 3.49Å; Y379-Q550 PolarHBondContact OH-NE2 3.49Å; S467-Q550 PolarHBondContact OG-NE2 2.95Å; S467-Q550 VanDerWaalsContact OG-NE2 3.13Å; G471-Q550 PolarHBondContact O-NE2 3.3Å; L473-Q550 HydrophobicContact CB-CB 4.27Å; L473-Q550 HydrophobicContact CB-CG 4.16Å; E546-Q550 WeakPolarHBondContact O-CB 3.35Å; E546-Q550 PolarHBondContact O-N 2.99Å; V547-Q550 PolarHBondContact O-N 2.95Å; Q550-S553 PolarHBondContact O-N 3.47Å; Q550-T554 WeakPolarHBondContact O-CB 3.39Å; Q550-T554 PolarHBondContact O-N 3.18Å; Q550-T554 PolarHBondContact O-OG1 3.17Å
551	A	95.8	Very high	93.1	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.3	-45.6	173.3	0	0	0	0	0	111.9	I376 Y379 L380 V547 Y548 Y549 T554 T555	I376-A551 HydrophobicContact CG2-CB 4Å; Y379-A551 HydrophobicContact CD1-CB 3.35Å; Y379-A551 HydrophobicContact CD2-CB 4.38Å; Y379-A551 HydrophobicContact CE1-CB 3.84Å; Y379-A551 HydrophobicContact CG-CB 3.65Å; L380-A551 HydrophobicContact CD2-CB 4.24Å; L380-A551 HydrophobicContact CG-CB 4.42Å; V547-A551 PolarHBondContact O-N 3.44Å; Y548-A551 VanDerWaalsContact O-CB 3.28Å; Y548-A551 WeakPolarHBondContact O-CB 3.45Å; Y548-A551 PolarHBondContact O-N 3.38Å; Y549-A551 VanDerWaalsContact C-N 3.33Å; A551-T554 PolarHBondContact O-N 3.47Å; A551-T555 VanDerWaalsContact O-CB 3.31Å; A551-T555 WeakPolarHBondContact O-CB 3.22Å; A551-T555 PolarHBondContact O-N 3.13Å; A551-T555 PolarHBondContact O-OG1 3.17Å
552	V	95.7	Very high	93	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.006	7%	0.073	C	C	.	.	H	α-helix	trans	-59.7	-51.1	176	176.8	0	0	0	0	110.6	I376 Y548 Y549 T554 T555 L556 F599 L602	I376-V552 HydrophobicContact CD1-CB 4.48Å; I376-V552 HydrophobicContact CD1-CG2 3.74Å; I376-V552 HydrophobicContact CG1-CG2 4.48Å; Y548-V552 HydrophobicContact CD1-CG2 4.16Å; Y548-V552 HydrophobicContact CE1-CG2 3.72Å; Y548-V552 WeakPolarHBondContact O-CG2 3.18Å; Y548-V552 PolarHBondContact O-N 2.84Å; Y549-V552 HydrophobicContact CD1-CB 4.24Å; Y549-V552 HydrophobicContact CD1-CG2 4.06Å; Y549-V552 HydrophobicContact CE1-CG2 4.37Å; Y549-V552 PolarHBondContact O-N 3.4Å; V552-T554 VanDerWaalsContact C-N 3.33Å; V552-T554 PolarHBondContact O-N 3.39Å; V552-T555 WeakPolarHBondContact O-CB 3.46Å; V552-T555 PolarHBondContact O-N 2.83Å; V552-T555 VanDerWaalsContact O-N 3.12Å; V552-L556 HydrophobicContact CG1-CD1 4.17Å; V552-L556 WeakPolarHBondContact O-CG 3.48Å; V552-L556 PolarHBondContact O-N 3.11Å; V552-F599 HydrophobicContact CB-CE2 4.2Å; V552-F599 HydrophobicContact CG1-CD2 3.96Å; V552-F599 HydrophobicContact CG1-CE2 4.02Å; V552-L602 HydrophobicContact CG1-CD2 3.8Å
553	S	93.9	Very high	92.6	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.014	11%	0.105	C	C	.	.	H	α-helix	trans	-60.7	-41.1	-179.4	179.3	0	0	0	0	112.2	L473 H477 Y549 Q550 T555 L556 G557	L473-S553 VanDerWaalsContact CD1-CB 3.5Å; H477-S553 PolarHBondContact CE1-OG 2.93Å; H477-S553 PolarHBondContact ND1-OG 2.75Å; Y549-S553 WeakPolarHBondContact O-CB 3.48Å; Y549-S553 PolarHBondContact O-N 2.94Å; Q550-S553 PolarHBondContact O-N 3.47Å; S553-T555 VanDerWaalsContact C-N 3.32Å; S553-T555 PolarHBondContact O-N 3.3Å; S553-L556 PolarHBondContact O-N 2.86Å; S553-G557 PolarHBondContact O-N 3.19Å
554	T	93.9	Very high	92.4	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.006	10%	0.102	C	C	.	.	H	α-helix	trans	-66	-36.8	176.5	-55	0	0	0	0	111.8	R366 L369 R370 F470 Q550 A551 V552 G557	R366-T554 HydrophobicContact CB-CG2 4.37Å; R366-T554 HydrophobicContact CG-CG2 3.69Å; L369-T554 HydrophobicContact CD2-CG2 3.9Å; R370-T554 PolarHBondContact NH1-O 2.82Å; F470-T554 HydrophobicContact CB-CG2 4.3Å; F470-T554 HydrophobicContact CD1-CG2 4.4Å; Q550-T554 WeakPolarHBondContact O-CB 3.39Å; Q550-T554 PolarHBondContact O-N 3.18Å; Q550-T554 PolarHBondContact O-OG1 3.17Å; A551-T554 PolarHBondContact O-N 3.47Å; V552-T554 VanDerWaalsContact C-N 3.33Å; V552-T554 PolarHBondContact O-N 3.39Å; T554-G557 PolarHBondContact O-N 3.38Å
555	T	95.2	Very high	92	Very high	9 Å²	9	26.9 Å²	26.9	6%	0.055	13%	0.13	C	C	.	.	H	α-helix	trans	-69.1	-37.6	179.2	-62.2	0	0	0	0	112.2	R370 P375 I376 I519 A551 V552 S553 G557	R370-T555 WeakPolarHBondContact CD-O 3.33Å; R370-T555 VanDerWaalsContact CG-O 3.31Å; R370-T555 WeakPolarHBondContact CG-O 3.28Å; P375-T555 HydrophobicContact CB-CG2 3.82Å; P375-T555 HydrophobicContact CG-CG2 3.36Å; I376-T555 HydrophobicContact CG1-CG2 4.37Å; I519-T555 HydrophobicContact CD1-CG2 3.72Å; I519-T555 HydrophobicContact CG1-CG2 3.93Å; A551-T555 VanDerWaalsContact O-CB 3.31Å; A551-T555 WeakPolarHBondContact O-CB 3.22Å; A551-T555 PolarHBondContact O-N 3.13Å; A551-T555 PolarHBondContact O-OG1 3.17Å; V552-T555 WeakPolarHBondContact O-CB 3.46Å; V552-T555 PolarHBondContact O-N 2.83Å; V552-T555 VanDerWaalsContact O-N 3.12Å; S553-T555 VanDerWaalsContact C-N 3.32Å; S553-T555 PolarHBondContact O-N 3.3Å; T555-G557 VanDerWaalsContact C-N 3.28Å; T555-G557 PolarHBondContact O-N 2.9Å
556	L	93.6	Very high	91	Very high	32 Å²	32	33.2 Å²	33.2	17%	0.168	18%	0.175	C	C	.	.	H	α-helix	trans	-70.2	-25.8	177.5	-67	175.2	0	0	0	112.7	L515 I519 V552 S553 E558 T598 F599 L602	L515-L556 HydrophobicContact CD1-CD2 4.04Å; L515-L556 HydrophobicContact CD2-CD2 4.1Å; I519-L556 HydrophobicContact CG2-CD2 4.21Å; V552-L556 HydrophobicContact CG1-CD1 4.17Å; V552-L556 WeakPolarHBondContact O-CG 3.48Å; V552-L556 PolarHBondContact O-N 3.11Å; S553-L556 PolarHBondContact O-N 2.86Å; L556-E558 HydrophobicContact CB-CG 4.31Å; L556-T598 HydrophobicContact CD1-CG2 4.48Å; L556-T598 HydrophobicContact CD2-CG2 4.2Å; L556-F599 HydrophobicContact CD1-CB 3.66Å; L556-F599 HydrophobicContact CD1-CD2 4.04Å; L556-F599 HydrophobicContact CD1-CG 4.35Å; L556-L602 HydrophobicContact CD1-CD2 4.44Å
557	G	90.4	Very high	90.1	Very high	20 Å²	20	36.7 Å²	36.7	21%	0.206	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	28	172	0	0	0	0	0	114.5	S553 T554 T555 C559 D562	S553-G557 PolarHBondContact O-N 3.19Å; T554-G557 PolarHBondContact O-N 3.38Å; T555-G557 VanDerWaalsContact C-N 3.28Å; T555-G557 PolarHBondContact O-N 2.9Å; G557-C559 VanDerWaalsContact C-N 3.33Å; G557-D562 WeakPolarHBondContact CA-OD2 3.31Å; G557-D562 VanDerWaalsContact O-CB 3.29Å; G557-D562 WeakPolarHBondContact O-CB 3.08Å
558	E	87.3	Confident	89.5	Confident	42 Å²	42	37 Å²	37	20%	0.196	20%	0.199	C	C	.	.			trans	-90.2	9.1	-177.4	-63.7	176.1	141.3	0	0	113	L556 Y586 T598 F599	L556-E558 HydrophobicContact CB-CG 4.31Å; E558-Y586 PolarHBondContact O-OH 3.16Å; E558-T598 WeakPolarHBondContact OE1-CA 3.26Å; E558-T598 WeakPolarHBondContact OE1-CB 3.47Å; E558-T598 PolarHBondContact OE1-N 3.43Å; E558-T598 PolarHBondContact OE1-OG1 2.79Å; E558-T598 PolarHBondContact OE2-N 3.35Å; E558-F599 PolarHBondContact OE2-N 3.13Å; E558-F599 VanDerWaalsContact OE2-N 3.13Å
559	C	88	Confident	88.8	Confident	5 Å²	5	39.1 Å²	39.1	3%	0.034	22%	0.217	C	C	.	.	S	Bend	trans	-87.5	151.4	178.5	-58.6	0	0	0	0	112.4	R366 G557 V561 D562 Y586	R366-C559 PolarHBondContact NH1-SG 3.02Å; G557-C559 VanDerWaalsContact C-N 3.33Å; C559-V561 HydrophobicContact CB-CG1 4.17Å; C559-V561 PolarHBondContact O-N 3.45Å; C559-V561 VanDerWaalsContact O-N 3.16Å; C559-D562 WeakPolarHBondContact CB-OD2 3.43Å; C559-D562 PolarHBondContact N-OD2 3.48Å; C559-D562 WeakPolarHBondContact O-CA 3.41Å; C559-D562 VanDerWaalsContact O-CB 3.23Å; C559-D562 WeakPolarHBondContact O-CB 3.42Å; C559-D562 PolarHBondContact O-N 3.27Å; C559-Y586 WeakPolarHBondContact CA-OH 3.38Å
560	P	87	Confident	88	Confident	29 Å²	29	42.7 Å²	42.7	19%	0.188	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-56.2	-35.4	179.4	-30.9	34.8	0	0	0	113.7	D562 Q563 L576 Y586	P560-D562 PolarHBondContact O-N 3.17Å; P560-Q563 WeakPolarHBondContact O-CB 3.46Å; P560-Q563 PolarHBondContact O-N 3.07Å; P560-L576 HydrophobicContact CB-CD2 3.4Å; P560-L576 VanDerWaalsContact CB-CD2 3.4Å; P560-Y586 VanDerWaalsContact CD-CD1 3.43Å; P560-Y586 VanDerWaalsContact CD-CE2 3.41Å; P560-Y586 HydrophobicContact CG-CD1 3.47Å; P560-Y586 VanDerWaalsContact CG-CD1 3.47Å; P560-Y586 HydrophobicContact CG-CD2 3.48Å; P560-Y586 VanDerWaalsContact CG-CD2 3.48Å; P560-Y586 HydrophobicContact CG-CE1 3.81Å; P560-Y586 HydrophobicContact CG-CE2 3.82Å; P560-Y586 HydrophobicContact CG-CG 3.31Å
561	V	91	Very high	87.3	Confident	14 Å²	14	45.2 Å²	45.2	9%	0.085	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-62.6	-27.9	176.1	71.5	0	0	0	0	112.2	F359 Q362 C363 C559 Q563 L564 L576	F359-V561 HydrophobicContact CB-CG2 4.42Å; F359-V561 HydrophobicContact CD1-CG2 4.46Å; F359-V561 WeakPolarHBondContact O-CG2 3.44Å; Q362-V561 HydrophobicContact CB-CG2 4.03Å; C363-V561 HydrophobicContact CB-CG2 4.29Å; C363-V561 VanDerWaalsContact CB-O 3.31Å; C363-V561 WeakPolarHBondContact CB-O 3.39Å; C363-V561 PolarHBondContact SG-O 3.37Å; C559-V561 HydrophobicContact CB-CG1 4.17Å; C559-V561 PolarHBondContact O-N 3.45Å; C559-V561 VanDerWaalsContact O-N 3.16Å; V561-Q563 VanDerWaalsContact C-N 3.26Å; V561-Q563 PolarHBondContact O-N 2.93Å; V561-L564 HydrophobicContact CG2-CD1 4.07Å; V561-L564 PolarHBondContact O-N 3.09Å; V561-L576 HydrophobicContact CB-CD1 4.35Å; V561-L576 HydrophobicContact CG2-CD1 4.34Å
562	D	90.8	Very high	86.7	Confident	16 Å²	16	48.9 Å²	48.9	9%	0.086	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-73.9	-19	176.8	-64.4	-61.7	0	0	0	112.7	R366 R370 G557 C559 P560 L564	R366-D562 WeakPolarHBondContact CB-OD1 3Å; R366-D562 WeakPolarHBondContact CD-OD1 3.4Å; R366-D562 IonicContact CZ-OD2 2.72Å; R366-D562 IonicContact NH1-OD1 3.98Å; R366-D562 IonicContact NH1-OD2 3.56Å; R366-D562 PolarHBondContact NH1-OD2 3.37Å; R370-D562 IonicContact CZ-OD1 3.96Å; R370-D562 VanDerWaalsContact CZ-OD1 3.24Å; R370-D562 IonicContact NH1-OD1 2.89Å; R370-D562 PolarHBondContact NH1-OD1 3.46Å; R370-D562 IonicContact NH1-OD2 3.19Å; R370-D562 IonicContact NH2-OD1 3.74Å; R370-D562 PolarHBondContact NH2-OD1 2.94Å; G557-D562 WeakPolarHBondContact CA-OD2 3.31Å; G557-D562 VanDerWaalsContact O-CB 3.29Å; G557-D562 WeakPolarHBondContact O-CB 3.08Å; C559-D562 WeakPolarHBondContact CB-OD2 3.43Å; C559-D562 PolarHBondContact N-OD2 3.48Å; C559-D562 WeakPolarHBondContact O-CA 3.41Å; C559-D562 VanDerWaalsContact O-CB 3.23Å; C559-D562 WeakPolarHBondContact O-CB 3.42Å; C559-D562 PolarHBondContact O-N 3.27Å; P560-D562 PolarHBondContact O-N 3.17Å; D562-L564 VanDerWaalsContact C-N 3.34Å
563	Q	86	Confident	86.3	Confident	145 Å²	145	49 Å²	49	68%	0.678	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-88.1	-2.6	179.7	-56.6	177.1	10	0	0	112.9	P560 V561 R565	P560-Q563 WeakPolarHBondContact O-CB 3.46Å; P560-Q563 PolarHBondContact O-N 3.07Å; V561-Q563 VanDerWaalsContact C-N 3.26Å; V561-Q563 PolarHBondContact O-N 2.93Å; Q563-R565 PolarHBondContact O-N 3.12Å
564	L	89.3	Confident	85.8	Confident	16 Å²	16	48.9 Å²	48.9	8%	0.084	26%	0.263	C	S	.	.			trans	-64.1	131.3	175.7	-69.5	176.5	0	0	0	110.7	F359 C363 V561 D562 A568 D572 L573 L576	F359-L564 HydrophobicContact CB-CD1 4.11Å; C363-L564 HydrophobicContact CB-CB 4.22Å; C363-L564 HydrophobicContact CB-CD1 4.12Å; V561-L564 HydrophobicContact CG2-CD1 4.07Å; V561-L564 PolarHBondContact O-N 3.09Å; D562-L564 VanDerWaalsContact C-N 3.34Å; L564-A568 HydrophobicContact CB-CB 4.44Å; L564-A568 HydrophobicContact CD2-CB 3.98Å; L564-D572 HydrophobicContact CD2-CB 4.31Å; L564-L573 HydrophobicContact CD1-CD2 3.75Å; L564-L573 HydrophobicContact CD2-CD2 3.98Å; L564-L576 HydrophobicContact CD1-CD1 3.62Å; L564-L576 HydrophobicContact CD2-CD1 3.83Å; L564-L576 HydrophobicContact CG-CD1 3.87Å
565	R	83	Confident	85.4	Confident	172 Å²	172	50.3 Å²	50.3	65%	0.649	27%	0.273	S	S	*	.			trans	-81.1	160.1	171	-64.9	174.2	48.2	160.1	-2.2	110.9	Q563 D567 A568	Q563-R565 PolarHBondContact O-N 3.12Å; R565-D567 WeakPolarHBondContact CB-OD1 3.45Å; R565-D567 IonicContact CZ-OD1 2.85Å; R565-D567 IonicContact CZ-OD2 3.43Å; R565-D567 IonicContact NE-OD1 3.54Å; R565-D567 PolarHBondContact NE-OD1 2.85Å; R565-D567 IonicContact NE-OD2 2.88Å; R565-D567 IonicContact NH2-OD1 3.34Å; R565-D567 PolarHBondContact NH2-OD1 3.26Å; R565-D567 IonicContact NH2-OD2 3.2Å; R565-D567 PolarHBondContact NH2-OD2 3.16Å; R565-D567 PolarHBondContact O-N 3.16Å; R565-A568 VanDerWaalsContact O-CB 3.23Å; R565-A568 WeakPolarHBondContact O-CB 3.43Å; R565-A568 PolarHBondContact O-N 2.71Å
566	S	75.7	Confident	85.1	Confident	134 Å²	134	51 Å²	51	94%	0.937	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-29.7	174.5	51.7	0	0	0	0	112.9
567	D	76.3	Confident	84.9	Confident	101 Å²	101	49.5 Å²	49.5	54%	0.54	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	23.2	176.6	63.1	-21.8	0	0	0	113.1	R565 A569	R565-D567 WeakPolarHBondContact CB-OD1 3.45Å; R565-D567 IonicContact CZ-OD1 2.85Å; R565-D567 IonicContact CZ-OD2 3.43Å; R565-D567 IonicContact NE-OD1 3.54Å; R565-D567 PolarHBondContact NE-OD1 2.85Å; R565-D567 IonicContact NE-OD2 2.88Å; R565-D567 IonicContact NH2-OD1 3.34Å; R565-D567 PolarHBondContact NH2-OD1 3.26Å; R565-D567 IonicContact NH2-OD2 3.2Å; R565-D567 PolarHBondContact NH2-OD2 3.16Å; R565-D567 PolarHBondContact O-N 3.16Å; D567-A569 PolarHBondContact O-N 2.87Å
568	A	81	Confident	84.6	Confident	18 Å²	18	50.5 Å²	50.5	15%	0.149	27%	0.271	C	S	.	.			trans	-47.9	125.2	-176.6	0	0	0	0	0	111.9	L564 R565 D572 L573	L564-A568 HydrophobicContact CB-CB 4.44Å; L564-A568 HydrophobicContact CD2-CB 3.98Å; R565-A568 VanDerWaalsContact O-CB 3.23Å; R565-A568 WeakPolarHBondContact O-CB 3.43Å; R565-A568 PolarHBondContact O-N 2.71Å; A568-D572 HydrophobicContact CB-CB 4.41Å; A568-L573 HydrophobicContact CB-CG 4.47Å
569	A	80.9	Confident	84.2	Confident	50 Å²	50	48.7 Å²	48.7	41%	0.413	26%	0.263	S	S	.	.			trans	-70.4	160	-178.9	0	0	0	0	0	110.5	D567 M571 D572 L573	D567-A569 PolarHBondContact O-N 2.87Å; A569-M571 PolarHBondContact O-N 2.88Å; A569-M571 VanDerWaalsContact O-N 3.14Å; A569-D572 PolarHBondContact N-OD2 2.89Å; A569-D572 WeakPolarHBondContact O-CB 3.38Å; A569-D572 PolarHBondContact O-N 3.2Å; A569-L573 PolarHBondContact O-N 2.85Å
570	Y	79.1	Confident	84	Confident	80 Å²	80	48.5 Å²	48.5	31%	0.314	26%	0.262	S	S	.	.	H	α-helix	trans	-52.4	-37.6	173.7	-84.2	-94.9	0	0	0	112.3	I102 R105 M356 L573 C574	I102-Y570 HydrophobicContact CG2-CE1 4.38Å; R105-Y570 VanDerWaalsContact CZ-CD2 3.47Å; M356-Y570 HydrophobicContact CE-CD1 3.17Å; M356-Y570 HydrophobicContact CE-CE1 3.65Å; M356-Y570 HydrophobicContact CE-CG 3.86Å; M356-Y570 HydrophobicContact SD-CD1 3.92Å; M356-Y570 HydrophobicContact SD-CE1 4.07Å; Y570-L573 PolarHBondContact O-N 3.34Å; Y570-C574 WeakPolarHBondContact O-CB 3.46Å; Y570-C574 PolarHBondContact O-N 3.09Å; Y570-C574 PolarHBondContact O-SG 3.09Å
571	M	78.8	Confident	83.6	Confident	63 Å²	63	48.6 Å²	48.6	31%	0.31	26%	0.26	S	S	.	.	H	α-helix	trans	-63.4	-41.3	177.3	-69.1	-64.4	-59.3	0	0	112.8	D109 L113 A569 L573 C574 S575	D109-M571 HydrophobicContact CB-SD 3.4Å; D109-M571 WeakPolarHBondContact CB-SD 3.45Å; L113-M571 HydrophobicContact CD1-CE 4.16Å; L113-M571 HydrophobicContact CD2-CE 3.56Å; L113-M571 HydrophobicContact CG-CE 3.6Å; A569-M571 PolarHBondContact O-N 2.88Å; A569-M571 VanDerWaalsContact O-N 3.14Å; M571-L573 VanDerWaalsContact C-N 3.33Å; M571-L573 PolarHBondContact O-N 3.47Å; M571-C574 PolarHBondContact O-N 3.29Å; M571-S575 PolarHBondContact O-N 2.87Å
572	D	84.1	Confident	83.1	Confident	76 Å²	76	51 Å²	51	41%	0.406	28%	0.277	S	S	.	.	H	α-helix	trans	-64	-43.5	179.6	-57.1	-33.6	0	0	0	110	L564 A568 A569 S575	L564-D572 HydrophobicContact CD2-CB 4.31Å; A568-D572 HydrophobicContact CB-CB 4.41Å; A569-D572 PolarHBondContact N-OD2 2.89Å; A569-D572 WeakPolarHBondContact O-CB 3.38Å; A569-D572 PolarHBondContact O-N 3.2Å; D572-S575 WeakPolarHBondContact O-CB 3.02Å; D572-S575 PolarHBondContact O-N 3.4Å; D572-S575 PolarHBondContact O-OG 3.35Å
573	L	86.6	Confident	82.7	Confident	3 Å²	3	51.1 Å²	51.1	2%	0.016	28%	0.28	C	S	.	.	H	α-helix	trans	-67	-40.8	176.4	-67.4	166.3	0	0	0	112.1	M356 F359 K360 L564 A568 A569 Y570 M571 S575 L576 F577	M356-L573 HydrophobicContact CB-CD1 4.3Å; M356-L573 HydrophobicContact CE-CB 3.58Å; M356-L573 HydrophobicContact CE-CD1 3.52Å; M356-L573 HydrophobicContact CE-CG 4.18Å; M356-L573 HydrophobicContact CG-CB 4.21Å; F359-L573 HydrophobicContact CB-CD2 3.96Å; K360-L573 HydrophobicContact CG-CD1 4.46Å; K360-L573 HydrophobicContact CG-CD2 4.25Å; L564-L573 HydrophobicContact CD1-CD2 3.75Å; L564-L573 HydrophobicContact CD2-CD2 3.98Å; A568-L573 HydrophobicContact CB-CG 4.47Å; A569-L573 PolarHBondContact O-N 2.85Å; Y570-L573 PolarHBondContact O-N 3.34Å; M571-L573 VanDerWaalsContact C-N 3.33Å; M571-L573 PolarHBondContact O-N 3.47Å; L573-S575 PolarHBondContact O-N 3.44Å; L573-L576 WeakPolarHBondContact O-CB 3.49Å; L573-L576 PolarHBondContact O-N 2.87Å; L573-L576 VanDerWaalsContact O-N 3.08Å; L573-F577 WeakPolarHBondContact O-CD1 3.37Å
574	C	84.9	Confident	82.7	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62	-30.5	174.9	-70.1	0	0	0	0	112	L113 Y570 M571 L576 F577	L113-C574 HydrophobicContact CD1-CB 4.49Å; Y570-C574 WeakPolarHBondContact O-CB 3.46Å; Y570-C574 PolarHBondContact O-N 3.09Å; Y570-C574 PolarHBondContact O-SG 3.09Å; M571-C574 PolarHBondContact O-N 3.29Å; C574-L576 PolarHBondContact O-N 3.41Å; C574-F577 WeakPolarHBondContact O-CB 3.47Å; C574-F577 PolarHBondContact O-N 3.29Å; C574-F577 VanDerWaalsContact O-N 3.17Å
575	S	85.1	Confident	82.4	Confident	31 Å²	31	45.4 Å²	45.4	22%	0.217	25%	0.253	C	S	.	.	H	α-helix	trans	-66	-22.4	176.1	85.3	0	0	0	0	113.2	M571 D572 L573 F577 S580 A583	M571-S575 PolarHBondContact O-N 2.87Å; D572-S575 WeakPolarHBondContact O-CB 3.02Å; D572-S575 PolarHBondContact O-N 3.4Å; D572-S575 PolarHBondContact O-OG 3.35Å; L573-S575 PolarHBondContact O-N 3.44Å; S575-F577 VanDerWaalsContact C-N 3.35Å; S575-S580 PolarHBondContact O-OG 3.45Å; S575-A583 PolarHBondContact O-N 3.49Å
576	L	88.7	Confident	82.3	Confident	24 Å²	24	39.5 Å²	39.5	13%	0.126	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-9.2	176	-60.5	-178.3	0	0	0	113.7	F359 P560 V561 L564 L573 C574	F359-L576 HydrophobicContact CB-CD1 4.12Å; F359-L576 HydrophobicContact CD1-CD1 4.34Å; F359-L576 HydrophobicContact CD2-CB 3.93Å; F359-L576 HydrophobicContact CD2-CD1 4.18Å; F359-L576 HydrophobicContact CE1-CB 4.33Å; F359-L576 HydrophobicContact CE2-CB 3.69Å; F359-L576 HydrophobicContact CG-CB 4.36Å; F359-L576 HydrophobicContact CG-CD1 3.98Å; F359-L576 HydrophobicContact CZ-CB 3.91Å; F359-L576 WeakPolarHBondContact CZ-O 3.45Å; P560-L576 HydrophobicContact CB-CD2 3.4Å; P560-L576 VanDerWaalsContact CB-CD2 3.4Å; V561-L576 HydrophobicContact CB-CD1 4.35Å; V561-L576 HydrophobicContact CG2-CD1 4.34Å; L564-L576 HydrophobicContact CD1-CD1 3.62Å; L564-L576 HydrophobicContact CD2-CD1 3.83Å; L564-L576 HydrophobicContact CG-CD1 3.87Å; L573-L576 WeakPolarHBondContact O-CB 3.49Å; L573-L576 PolarHBondContact O-N 2.87Å; L573-L576 VanDerWaalsContact O-N 3.08Å; C574-L576 PolarHBondContact O-N 3.41Å
577	F	88.1	Confident	82.7	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	-63.8	132.7	-178.7	-77.9	28.1	0	0	0	108.7	I106 L348 P352 M355 M356 F359 L573 C574 S575 S579 S580 A583	I106-F577 HydrophobicContact CD1-CZ 4.45Å; I106-F577 HydrophobicContact CG2-CD2 4.49Å; I106-F577 HydrophobicContact CG2-CE2 3.74Å; I106-F577 HydrophobicContact CG2-CZ 4.34Å; L348-F577 HydrophobicContact CD1-CD2 4.06Å; L348-F577 HydrophobicContact CD1-CE2 4.01Å; P352-F577 HydrophobicContact CB-CE2 3.99Å; P352-F577 HydrophobicContact CB-CZ 4.11Å; M355-F577 HydrophobicContact CE-CB 3.85Å; M355-F577 HydrophobicContact CE-CD1 3.33Å; M355-F577 HydrophobicContact CE-CD2 3.25Å; M355-F577 HydrophobicContact CE-CE1 3.47Å; M355-F577 VanDerWaalsContact CE-CE1 3.47Å; M355-F577 HydrophobicContact CE-CE2 3.42Å; M355-F577 VanDerWaalsContact CE-CE2 3.42Å; M355-F577 HydrophobicContact CE-CG 3.19Å; M355-F577 HydrophobicContact CE-CZ 3.52Å; M356-F577 HydrophobicContact CG-CE1 3.77Å; M356-F577 HydrophobicContact CG-CZ 3.79Å; M356-F577 HydrophobicContact SD-CZ 4.49Å; F359-F577 HydrophobicContact CD2-CE1 4.43Å; F359-F577 AromaticContact CE2-CD1 3.73Å; F359-F577 HydrophobicContact CE2-CD1 3.73Å; F359-F577 AromaticContact CE2-CE1 3.93Å; F359-F577 HydrophobicContact CE2-CE1 3.93Å; L573-F577 WeakPolarHBondContact O-CD1 3.37Å; C574-F577 WeakPolarHBondContact O-CB 3.47Å; C574-F577 PolarHBondContact O-N 3.29Å; C574-F577 VanDerWaalsContact O-N 3.17Å; S575-F577 VanDerWaalsContact C-N 3.35Å; F577-S579 PolarHBondContact O-N 3.02Å; F577-S580 WeakPolarHBondContact O-CB 3.39Å; F577-S580 PolarHBondContact O-N 3.48Å; F577-S580 PolarHBondContact O-OG 3.41Å; F577-A583 WeakPolarHBondContact O-CB 3.17Å
578	P	85	Confident	82.9	Confident	41 Å²	41	32.4 Å²	32.4	27%	0.266	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-25	-177.7	-31.7	37.8	0	0	0	114.8	F276 Q584	F276-P578 HydrophobicContact CD2-CB 4.36Å; F276-P578 WeakPolarHBondContact CD2-O 3.46Å; F276-P578 HydrophobicContact CE2-CB 3.83Å; P578-Q584 WeakPolarHBondContact O-CG 3.17Å
579	S	79.4	Confident	82.6	Confident	4 Å²	4	32.6 Å²	32.6	3%	0.028	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-12.1	176.7	57.9	0	0	0	0	115	F577 Q584	F577-S579 PolarHBondContact O-N 3.02Å; S579-Q584 PolarHBondContact O-NE2 3.12Å
580	S	82.5	Confident	82.3	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.014	19%	0.189	C	C	.	.	S	Bend	trans	-74	151.6	178.9	88.7	0	0	0	0	110.7	S575 F577 C582 A583 Q584	S575-S580 PolarHBondContact O-OG 3.45Å; F577-S580 WeakPolarHBondContact O-CB 3.39Å; F577-S580 PolarHBondContact O-N 3.48Å; F577-S580 PolarHBondContact O-OG 3.41Å; S580-C582 VanDerWaalsContact C-N 3.31Å; S580-A583 VanDerWaalsContact OG-CB 3.26Å; S580-A583 WeakPolarHBondContact OG-CB 3.39Å; S580-A583 PolarHBondContact OG-N 3.12Å; S580-Q584 WeakPolarHBondContact O-CB 3.47Å; S580-Q584 VanDerWaalsContact O-CG 3.22Å; S580-Q584 WeakPolarHBondContact O-CG 3.13Å; S580-Q584 PolarHBondContact O-N 2.99Å; S580-Q584 VanDerWaalsContact O-N 3.09Å; S580-Q584 PolarHBondContact O-NE2 2.98Å
581	E	78.7	Confident	81.5	Confident	31 Å²	31	36.9 Å²	36.9	15%	0.145	20%	0.203	C	C	.	.	H	α-helix	trans	-66.5	-36.7	175.3	179.9	156.6	-148.3	0	0	111.4	E117 K121 R315 A583 Q584 N585	E117-E581 VanDerWaalsContact CD-CB 3.5Å; E117-E581 WeakPolarHBondContact OE1-CB 3.36Å; K121-E581 IonicContact NZ-OE1 2.7Å; K121-E581 PolarHBondContact NZ-OE1 3.27Å; K121-E581 IonicContact NZ-OE2 2.89Å; K121-E581 PolarHBondContact NZ-OE2 3.18Å; R315-E581 IonicContact NH1-OE1 2.85Å; R315-E581 PolarHBondContact NH1-OE1 3.4Å; R315-E581 VanDerWaalsContact NH1-OE1 3.16Å; E581-A583 PolarHBondContact O-N 2.81Å; E581-Q584 PolarHBondContact O-N 3.13Å; E581-N585 WeakPolarHBondContact O-CB 3.38Å; E581-N585 PolarHBondContact O-N 2.73Å; E581-N585 PolarHBondContact O-OD1 2.91Å
582	C	81	Confident	80.5	Confident	65 Å²	65	35.9 Å²	35.9	44%	0.439	20%	0.198	S	C	.	.	H	α-helix	trans	-57.8	-50.7	176.6	-172.5	0	0	0	0	111.8	S580 Q584 N585 Y586	S580-C582 VanDerWaalsContact C-N 3.31Å; C582-Q584 PolarHBondContact O-N 3.45Å; C582-N585 PolarHBondContact O-N 3.49Å; C582-Y586 PolarHBondContact O-N 3.37Å
583	A	83.2	Confident	79.1	Confident	17 Å²	17	37.9 Å²	37.9	14%	0.14	21%	0.209	C	C	.	.	H	α-helix	trans	-63.9	-41.8	178.1	0	0	0	0	0	111.4	S575 F577 S580 E581 Y586 F587	S575-A583 PolarHBondContact O-N 3.49Å; F577-A583 WeakPolarHBondContact O-CB 3.17Å; S580-A583 VanDerWaalsContact OG-CB 3.26Å; S580-A583 WeakPolarHBondContact OG-CB 3.39Å; S580-A583 PolarHBondContact OG-N 3.12Å; E581-A583 PolarHBondContact O-N 2.81Å; A583-Y586 PolarHBondContact O-N 3.14Å; A583-F587 WeakPolarHBondContact O-CB 3.48Å; A583-F587 PolarHBondContact O-N 2.96Å
584	Q	85.4	Confident	77.5	Confident	23 Å²	23	45.5 Å²	45.5	11%	0.107	25%	0.25	C	C	.	.	H	α-helix	trans	-64.6	-42.2	177.3	-70.5	173.9	49.3	0	0	112.5	P277 P578 S579 S580 E581 C582 F587 L588	P277-Q584 HydrophobicContact CB-CB 4.4Å; P277-Q584 HydrophobicContact CB-CG 4.15Å; P277-Q584 HydrophobicContact CG-CB 4.2Å; P277-Q584 HydrophobicContact CG-CG 4.03Å; P578-Q584 WeakPolarHBondContact O-CG 3.17Å; S579-Q584 PolarHBondContact O-NE2 3.12Å; S580-Q584 WeakPolarHBondContact O-CB 3.47Å; S580-Q584 VanDerWaalsContact O-CG 3.22Å; S580-Q584 WeakPolarHBondContact O-CG 3.13Å; S580-Q584 PolarHBondContact O-N 2.99Å; S580-Q584 VanDerWaalsContact O-N 3.09Å; S580-Q584 PolarHBondContact O-NE2 2.98Å; E581-Q584 PolarHBondContact O-N 3.13Å; C582-Q584 PolarHBondContact O-N 3.45Å; Q584-F587 PolarHBondContact O-N 3.39Å; Q584-L588 WeakPolarHBondContact O-CB 3.18Å; Q584-L588 VanDerWaalsContact O-CG 3.26Å; Q584-L588 WeakPolarHBondContact O-CG 3.43Å; Q584-L588 PolarHBondContact O-N 3.48Å
585	N	83.6	Confident	75.8	Confident	19 Å²	19	50.7 Å²	50.7	10%	0.102	29%	0.286	C	S	.	.	H	α-helix	trans	-65.2	-43	177.8	-70.5	-8.1	0	0	0	111.1	R315 E581 C582 L588 G589 E590 N591	R315-N585 VanDerWaalsContact CZ-OD1 3.24Å; R315-N585 PolarHBondContact NH1-OD1 2.94Å; R315-N585 PolarHBondContact NH2-OD1 2.88Å; E581-N585 WeakPolarHBondContact O-CB 3.38Å; E581-N585 PolarHBondContact O-N 2.73Å; E581-N585 PolarHBondContact O-OD1 2.91Å; C582-N585 PolarHBondContact O-N 3.49Å; N585-L588 PolarHBondContact O-N 3.26Å; N585-G589 PolarHBondContact O-N 2.9Å; N585-E590 PolarHBondContact O-N 2.88Å; N585-E590 PolarHBondContact OD1-OE2 2.8Å; N585-N591 PolarHBondContact ND2-ND2 3.04Å
586	Y	81	Confident	74.4	Confident	47 Å²	47	53.4 Å²	53.4	18%	0.184	30%	0.304	C	S	.	.	H	α-helix	trans	-64.1	-47	174.5	179.5	-94.7	0	0	0	111.5	P474 F476 E558 C559 P560 C582 A583 L588 G589	P474-Y586 HydrophobicContact CB-CE1 3.97Å; P474-Y586 HydrophobicContact CG-CE1 3.87Å; F476-Y586 WeakPolarHBondContact CD1-O 3.28Å; F476-Y586 HydrophobicContact CE1-CE1 4.08Å; F476-Y586 HydrophobicContact CE1-CE2 4.11Å; F476-Y586 AromaticContact CE1-CZ 3.74Å; F476-Y586 HydrophobicContact CZ-CE2 4.36Å; E558-Y586 PolarHBondContact O-OH 3.16Å; C559-Y586 WeakPolarHBondContact CA-OH 3.38Å; P560-Y586 VanDerWaalsContact CD-CD1 3.43Å; P560-Y586 VanDerWaalsContact CD-CE2 3.41Å; P560-Y586 HydrophobicContact CG-CD1 3.47Å; P560-Y586 VanDerWaalsContact CG-CD1 3.47Å; P560-Y586 HydrophobicContact CG-CD2 3.48Å; P560-Y586 VanDerWaalsContact CG-CD2 3.48Å; P560-Y586 HydrophobicContact CG-CE1 3.81Å; P560-Y586 HydrophobicContact CG-CE2 3.82Å; P560-Y586 HydrophobicContact CG-CG 3.31Å; C582-Y586 PolarHBondContact O-N 3.37Å; A583-Y586 PolarHBondContact O-N 3.14Å; Y586-L588 PolarHBondContact O-N 3.42Å; Y586-G589 PolarHBondContact O-N 3.16Å
587	F	83.4	Confident	74	Confident	34 Å²	34	53 Å²	53	15%	0.149	30%	0.302	C	S	.	.	H	α-helix	trans	-56.4	-40.4	178.4	-179.1	-84.9	0	0	0	111.6	P277 L309 E475 A583 Q584	P277-F587 HydrophobicContact CB-CD1 3.53Å; P277-F587 HydrophobicContact CB-CE1 3.78Å; P277-F587 HydrophobicContact CB-CG 4.34Å; L309-F587 HydrophobicContact CD2-CE2 4.41Å; L309-F587 HydrophobicContact CD2-CZ 4.02Å; E475-F587 HydrophobicContact CB-CD1 4.32Å; E475-F587 HydrophobicContact CB-CE1 4.04Å; E475-F587 HydrophobicContact CB-CZ 4.22Å; E475-F587 WeakPolarHBondContact CB-O 3.49Å; E475-F587 HydrophobicContact CG-CD1 4.02Å; E475-F587 HydrophobicContact CG-CD2 4.27Å; E475-F587 HydrophobicContact CG-CE1 3.32Å; E475-F587 HydrophobicContact CG-CE2 3.62Å; E475-F587 HydrophobicContact CG-CG 4.46Å; E475-F587 HydrophobicContact CG-CZ 3.11Å; A583-F587 WeakPolarHBondContact O-CB 3.48Å; A583-F587 PolarHBondContact O-N 2.96Å; Q584-F587 PolarHBondContact O-N 3.39Å
588	L	79.8	Confident	74.1	Confident	53 Å²	53	55.1 Å²	55.1	28%	0.277	32%	0.315	S	S	.	.	H	α-helix	trans	-81.1	-13.3	176.4	-68	175	0	0	0	114.6	P277 T311 Q584 N585 Y586 E590	P277-L588 HydrophobicContact CB-CG 4.43Å; P277-L588 HydrophobicContact CG-CD1 4.1Å; P277-L588 HydrophobicContact CG-CD2 4.46Å; P277-L588 HydrophobicContact CG-CG 4.29Å; T311-L588 WeakPolarHBondContact O-CD2 3.33Å; Q584-L588 WeakPolarHBondContact O-CB 3.18Å; Q584-L588 VanDerWaalsContact O-CG 3.26Å; Q584-L588 WeakPolarHBondContact O-CG 3.43Å; Q584-L588 PolarHBondContact O-N 3.48Å; N585-L588 PolarHBondContact O-N 3.26Å; Y586-L588 PolarHBondContact O-N 3.42Å; L588-E590 HydrophobicContact CB-CG 3.84Å
589	G	76.4	Confident	74.5	Confident	22 Å²	22	53.2 Å²	53.2	23%	0.227	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	21.7	-173.8	0	0	0	0	0	114.9	N585 Y586 N591	N585-G589 PolarHBondContact O-N 2.9Å; Y586-G589 PolarHBondContact O-N 3.16Å; G589-N591 VanDerWaalsContact C-N 3.33Å; G589-N591 PolarHBondContact O-N 2.62Å
590	E	73.4	Confident	75	Confident	108 Å²	108	54.8 Å²	54.8	51%	0.505	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-15.5	-174.8	-70.7	177.6	162.3	0	0	113.9	R315 N585 L588	R315-E590 IonicContact CZ-OE2 3.5Å; R315-E590 IonicContact NH1-OE2 2.67Å; R315-E590 IonicContact NH2-OE2 3.54Å; R315-E590 PolarHBondContact NH2-OE2 2.84Å; N585-E590 PolarHBondContact O-N 2.88Å; N585-E590 PolarHBondContact OD1-OE2 2.8Å; L588-E590 HydrophobicContact CB-CG 3.84Å
591	N	62.1	Low	75.5	Confident	112 Å²	112	59.1 Å²	59.1	60%	0.599	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	15.3	-179.3	-82.4	-13.8	0	0	0	113.6	N585 G589	N585-N591 PolarHBondContact ND2-ND2 3.04Å; G589-N591 VanDerWaalsContact C-N 3.33Å; G589-N591 PolarHBondContact O-N 2.62Å
592	I	58.7	Low	76.3	Confident	41 Å²	41	58 Å²	58	21%	0.21	32%	0.324	C	S	.	.			trans	-88.7	118.2	-178.1	-55.8	174.8	0	0	0	108	F476 D594 D597	F476-I592 HydrophobicContact CD1-CD1 3.82Å; F476-I592 HydrophobicContact CD2-CD1 3.42Å; F476-I592 VanDerWaalsContact CD2-CD1 3.42Å; F476-I592 HydrophobicContact CE1-CD1 3.61Å; F476-I592 HydrophobicContact CE2-CD1 3.16Å; F476-I592 HydrophobicContact CG-CD1 3.75Å; F476-I592 HydrophobicContact CZ-CD1 3.29Å; I592-D594 PolarHBondContact O-N 3.04Å; I592-D597 HydrophobicContact CG2-CB 4.27Å
593	N	54.2	Low	76.9	Confident	119 Å²	119	55 Å²	55	64%	0.636	30%	0.303	S	S	*	.			trans	-66.8	114.1	165.9	-68.8	-11.8	0	0	0	107	S595 C596	N593-S595 PolarHBondContact O-N 2.94Å; N593-C596 HydrophobicContact CB-CB 4.47Å; N593-C596 PolarHBondContact O-N 2.96Å
594	D	52.9	Low	77.4	Confident	163 Å²	163	57.9 Å²	57.9	87%	0.872	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	-22.8	-177.6	-80.1	-31.2	0	0	0	113.9	I592	I592-D594 PolarHBondContact O-N 3.04Å
595	S	49.2	Very low	77.9	Confident	108 Å²	108	59.7 Å²	59.7	76%	0.755	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-8.8	178.7	65.6	0	0	0	0	115.6	N593	N593-S595 PolarHBondContact O-N 2.94Å
596	C	56.2	Low	78.5	Confident	88 Å²	88	59.1 Å²	59.1	60%	0.595	32%	0.321	S	S	*	.	S	Bend	trans	-118.9	13.6	-162.8	-70.8	0	0	0	0	115.7	N593	N593-C596 HydrophobicContact CB-CB 4.47Å; N593-C596 PolarHBondContact O-N 2.96Å
597	D	78.9	Confident	79.2	Confident	16 Å²	16	57 Å²	57	9%	0.086	31%	0.313	C	S	.	.			trans	-110.8	102.9	-178.4	-164.6	-49.5	0	0	0	111.6	F476 H477 I592 F599 I600 K601	F476-D597 VanDerWaalsContact CE2-OD2 3.28Å; F476-D597 WeakPolarHBondContact CE2-OD2 3.28Å; H477-D597 IonicContact CD2-OD2 3.34Å; H477-D597 IonicContact NE2-OD1 2.66Å; H477-D597 IonicContact NE2-OD2 3.19Å; H477-D597 PolarHBondContact NE2-OD2 3.39Å; I592-D597 HydrophobicContact CG2-CB 4.27Å; D597-F599 VanDerWaalsContact C-N 3.26Å; D597-F599 PolarHBondContact O-N 3.3Å; D597-F599 WeakPolarHBondContact OD1-CA 3.28Å; D597-F599 VanDerWaalsContact OD1-CB 3.22Å; D597-F599 WeakPolarHBondContact OD1-CB 3.49Å; D597-F599 PolarHBondContact OD1-N 3.21Å; D597-I600 HydrophobicContact CB-CB 3.99Å; D597-I600 HydrophobicContact CB-CD1 3.75Å; D597-I600 HydrophobicContact CB-CG1 3.91Å; D597-I600 VanDerWaalsContact CG-CG1 3.5Å; D597-I600 PolarHBondContact O-N 3.4Å; D597-I600 PolarHBondContact OD1-N 2.91Å; D597-K601 PolarHBondContact O-N 3.19Å; D597-K601 VanDerWaalsContact O-N 3.16Å
598	T	91.2	Very high	79.5	Confident	45 Å²	45	59.5 Å²	59.5	28%	0.276	33%	0.334	S	S	.	.	H	α-helix	trans	-63.2	-37.4	179.2	-48.7	0	0	0	0	110.4	W510 L515 L556 E558 L602	W510-T598 HydrophobicContact CH2-CG2 4.24Å; W510-T598 HydrophobicContact CZ3-CG2 4.2Å; L515-T598 HydrophobicContact CD1-CG2 4.04Å; L515-T598 HydrophobicContact CD2-CG2 4.04Å; L556-T598 HydrophobicContact CD1-CG2 4.48Å; L556-T598 HydrophobicContact CD2-CG2 4.2Å; E558-T598 WeakPolarHBondContact OE1-CA 3.26Å; E558-T598 WeakPolarHBondContact OE1-CB 3.47Å; E558-T598 PolarHBondContact OE1-N 3.43Å; E558-T598 PolarHBondContact OE1-OG1 2.79Å; E558-T598 PolarHBondContact OE2-N 3.35Å; T598-L602 WeakPolarHBondContact O-CB 3.37Å; T598-L602 PolarHBondContact O-N 3.26Å
599	F	92.5	Very high	79.5	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-61.4	-51.7	176.4	-179	-85.9	0	0	0	110.9	L473 H477 V481 Y549 V552 L556 E558 D597 K601 L602 I603	L473-F599 HydrophobicContact CD1-CZ 4.25Å; H477-F599 HydrophobicContact CB-CD1 3.95Å; H477-F599 HydrophobicContact CB-CE1 3.48Å; H477-F599 VanDerWaalsContact CB-CE1 3.48Å; H477-F599 HydrophobicContact CB-CZ 4.02Å; H477-F599 AromaticContact CD2-CD1 3.17Å; H477-F599 WeakPolarHBondContact CD2-CD1 3.46Å; H477-F599 AromaticContact CD2-CE1 3.67Å; H477-F599 AromaticContact CD2-CG 3.87Å; H477-F599 AromaticContact CE1-CD1 3.89Å; H477-F599 AromaticContact CE1-CG 3.81Å; H477-F599 AromaticContact CG-CD1 3.44Å; H477-F599 VanDerWaalsContact CG-CD1 3.44Å; H477-F599 AromaticContact CG-CE1 3.52Å; H477-F599 AromaticContact ND1-CD1 3.86Å; H477-F599 AromaticContact NE2-CD1 3.5Å; H477-F599 WeakPolarHBondContact NE2-CD1 3.4Å; H477-F599 AromaticContact NE2-CG 3.71Å; V481-F599 HydrophobicContact CG2-CE1 4.31Å; V481-F599 HydrophobicContact CG2-CZ 3.89Å; Y549-F599 HydrophobicContact CD1-CE2 4.2Å; Y549-F599 HydrophobicContact CD1-CZ 4.25Å; Y549-F599 WeakPolarHBondContact O-CE2 3.2Å; V552-F599 HydrophobicContact CB-CE2 4.2Å; V552-F599 HydrophobicContact CG1-CD2 3.96Å; V552-F599 HydrophobicContact CG1-CE2 4.02Å; L556-F599 HydrophobicContact CD1-CB 3.66Å; L556-F599 HydrophobicContact CD1-CD2 4.04Å; L556-F599 HydrophobicContact CD1-CG 4.35Å; E558-F599 PolarHBondContact OE2-N 3.13Å; E558-F599 VanDerWaalsContact OE2-N 3.13Å; D597-F599 VanDerWaalsContact C-N 3.26Å; D597-F599 PolarHBondContact O-N 3.3Å; D597-F599 WeakPolarHBondContact OD1-CA 3.28Å; D597-F599 VanDerWaalsContact OD1-CB 3.22Å; D597-F599 WeakPolarHBondContact OD1-CB 3.49Å; D597-F599 PolarHBondContact OD1-N 3.21Å; F599-K601 VanDerWaalsContact C-N 3.35Å; F599-K601 PolarHBondContact O-N 2.8Å; F599-L602 WeakPolarHBondContact O-CB 3.44Å; F599-L602 PolarHBondContact O-N 3.24Å; F599-I603 HydrophobicContact CD1-CG1 3.91Å; F599-I603 HydrophobicContact CE1-CD1 4.23Å; F599-I603 HydrophobicContact CE1-CG1 3.54Å; F599-I603 HydrophobicContact CE2-CD1 4.2Å; F599-I603 HydrophobicContact CE2-CG1 4.27Å; F599-I603 HydrophobicContact CG-CG1 4.42Å; F599-I603 HydrophobicContact CZ-CD1 3.91Å; F599-I603 HydrophobicContact CZ-CG1 3.75Å; F599-I603 VanDerWaalsContact O-CG1 3.29Å; F599-I603 WeakPolarHBondContact O-CG1 3.39Å; F599-I603 PolarHBondContact O-N 2.59Å
600	I	91.4	Very high	79.7	Confident	37 Å²	37	63.5 Å²	63.5	19%	0.19	35%	0.35	C	S	.	.	H	α-helix	trans	-57.1	-50.1	-179.4	-68.9	175.7	0	0	0	110.5	F476 L480 D597 L602 I603 Q604	F476-I600 HydrophobicContact CD2-CD1 4.18Å; F476-I600 HydrophobicContact CE2-CD1 4.16Å; L480-I600 HydrophobicContact CD2-CB 4.27Å; L480-I600 HydrophobicContact CD2-CG1 4.24Å; L480-I600 HydrophobicContact CD2-CG2 4.08Å; D597-I600 HydrophobicContact CB-CB 3.99Å; D597-I600 HydrophobicContact CB-CD1 3.75Å; D597-I600 HydrophobicContact CB-CG1 3.91Å; D597-I600 VanDerWaalsContact CG-CG1 3.5Å; D597-I600 PolarHBondContact O-N 3.4Å; D597-I600 PolarHBondContact OD1-N 2.91Å; I600-L602 VanDerWaalsContact C-N 3.32Å; I600-L602 PolarHBondContact O-N 3.35Å; I600-I603 PolarHBondContact O-N 3.09Å; I600-Q604 HydrophobicContact CG2-CG 4.34Å; I600-Q604 WeakPolarHBondContact O-CB 3.45Å; I600-Q604 WeakPolarHBondContact O-CG 3.44Å; I600-Q604 PolarHBondContact O-N 3.34Å
601	K	92.5	Very high	80	Confident	94 Å²	94	61.1 Å²	61.1	41%	0.409	34%	0.342	S	S	.	.	H	α-helix	trans	-59.5	-44.1	178.6	-170.5	-172.9	175.5	-174.4	0	111.6	W510 D597 F599 I603 Q604 D605	W510-K601 HydrophobicContact CH2-CB 4.23Å; W510-K601 HydrophobicContact CH2-CD 3.92Å; W510-K601 HydrophobicContact CH2-CG 4.08Å; W510-K601 HydrophobicContact CZ2-CB 4.07Å; W510-K601 HydrophobicContact CZ2-CD 3.68Å; W510-K601 HydrophobicContact CZ2-CG 3.57Å; W510-K601 HydrophobicContact CZ3-CD 4.42Å; D597-K601 PolarHBondContact O-N 3.19Å; D597-K601 VanDerWaalsContact O-N 3.16Å; F599-K601 VanDerWaalsContact C-N 3.35Å; F599-K601 PolarHBondContact O-N 2.8Å; K601-I603 PolarHBondContact O-N 2.99Å; K601-Q604 PolarHBondContact O-N 2.68Å; K601-D605 WeakPolarHBondContact O-CB 3.48Å; K601-D605 PolarHBondContact O-N 3.06Å
602	L	94.8	Very high	81	Confident	8 Å²	8	58.3 Å²	58.3	4%	0.042	33%	0.327	C	S	.	.	H	α-helix	trans	-58.4	-48.6	177.5	177.3	62.5	0	0	0	111.1	P508 W510 A511 L515 V552 L556 T598 F599 I600 T606	P508-L602 HydrophobicContact CG-CD1 4.47Å; W510-L602 HydrophobicContact CH2-CB 4.1Å; W510-L602 HydrophobicContact CZ2-CB 4.32Å; A511-L602 HydrophobicContact CB-CD1 3.56Å; L515-L602 HydrophobicContact CD1-CD2 4.31Å; V552-L602 HydrophobicContact CG1-CD2 3.8Å; L556-L602 HydrophobicContact CD1-CD2 4.44Å; T598-L602 WeakPolarHBondContact O-CB 3.37Å; T598-L602 PolarHBondContact O-N 3.26Å; F599-L602 WeakPolarHBondContact O-CB 3.44Å; F599-L602 PolarHBondContact O-N 3.24Å; I600-L602 VanDerWaalsContact C-N 3.32Å; I600-L602 PolarHBondContact O-N 3.35Å; L602-T606 WeakPolarHBondContact O-CB 3.22Å; L602-T606 PolarHBondContact O-N 2.89Å; L602-T606 PolarHBondContact O-OG1 3.41Å
603	I	95.1	Very high	82.3	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-66.5	-44.4	-179	-59.2	-59.5	0	0	0	111.7	L480 V484 Y549 F599 I600 K601 D605 T606 W607	L480-I603 HydrophobicContact CD1-CG2 4.45Å; L480-I603 HydrophobicContact CD2-CB 3.66Å; L480-I603 HydrophobicContact CD2-CG1 4.25Å; L480-I603 HydrophobicContact CD2-CG2 3.77Å; L480-I603 HydrophobicContact CG-CB 4.16Å; L480-I603 HydrophobicContact CG-CG2 3.67Å; V484-I603 HydrophobicContact CG2-CG2 3.44Å; V484-I603 VanDerWaalsContact CG2-CG2 3.44Å; Y549-I603 HydrophobicContact CD1-CD1 3.19Å; Y549-I603 HydrophobicContact CE1-CD1 2.99Å; Y549-I603 HydrophobicContact CE1-CG1 4.49Å; Y549-I603 HydrophobicContact CG-CD1 4.13Å; F599-I603 HydrophobicContact CD1-CG1 3.91Å; F599-I603 HydrophobicContact CE1-CD1 4.23Å; F599-I603 HydrophobicContact CE1-CG1 3.54Å; F599-I603 HydrophobicContact CE2-CD1 4.2Å; F599-I603 HydrophobicContact CE2-CG1 4.27Å; F599-I603 HydrophobicContact CG-CG1 4.42Å; F599-I603 HydrophobicContact CZ-CD1 3.91Å; F599-I603 HydrophobicContact CZ-CG1 3.75Å; F599-I603 VanDerWaalsContact O-CG1 3.29Å; F599-I603 WeakPolarHBondContact O-CG1 3.39Å; F599-I603 PolarHBondContact O-N 2.59Å; I600-I603 PolarHBondContact O-N 3.09Å; K601-I603 PolarHBondContact O-N 2.99Å; I603-D605 PolarHBondContact O-N 3.19Å; I603-T606 PolarHBondContact O-N 3.07Å; I603-W607 VanDerWaalsContact O-CD1 3.31Å; I603-W607 PolarHBondContact O-N 3.38Å
604	Q	93.6	Very high	84.1	Confident	78 Å²	78	55.6 Å²	55.6	36%	0.364	32%	0.315	S	S	.	.	H	α-helix	trans	-59.6	-46.4	179.3	-75	176	-34.4	0	0	111.7	L480 I600 K601 C608 I609	L480-Q604 HydrophobicContact CD1-CG 4.47Å; L480-Q604 HydrophobicContact CD2-CG 4.45Å; I600-Q604 HydrophobicContact CG2-CG 4.34Å; I600-Q604 WeakPolarHBondContact O-CB 3.45Å; I600-Q604 WeakPolarHBondContact O-CG 3.44Å; I600-Q604 PolarHBondContact O-N 3.34Å; K601-Q604 PolarHBondContact O-N 2.68Å; Q604-C608 WeakPolarHBondContact O-CA 3.29Å; Q604-C608 PolarHBondContact O-N 3.09Å; Q604-I609 PolarHBondContact O-N 3.2Å
605	D	94.9	Very high	86.2	Confident	61 Å²	61	48.4 Å²	48.4	33%	0.326	28%	0.278	S	S	.	.	H	α-helix	trans	-76.1	-28.8	-179	-69.9	-14.1	0	0	0	112.8	N506 P508 W510 K601 I603 W607	N506-D605 PolarHBondContact ND2-O 3.39Å; P508-D605 HydrophobicContact CB-CB 3.86Å; P508-D605 HydrophobicContact CG-CB 3.56Å; W510-D605 PolarHBondContact NE1-OD2 2.83Å; K601-D605 WeakPolarHBondContact O-CB 3.48Å; K601-D605 PolarHBondContact O-N 3.06Å; I603-D605 PolarHBondContact O-N 3.19Å; D605-W607 VanDerWaalsContact C-N 3.34Å
606	T	96.6	Very high	88.8	Confident	8 Å²	8	44.1 Å²	44.1	5%	0.049	24%	0.244	C	C	.	.	H	α-helix	trans	-69.5	-33.8	176.4	-63.4	0	0	0	0	111.6	F505 N506 L602 I603	F505-T606 HydrophobicContact CD2-CG2 3.52Å; F505-T606 HydrophobicContact CE2-CG2 3.2Å; F505-T606 HydrophobicContact CG-CG2 4.44Å; F505-T606 HydrophobicContact CZ-CG2 3.94Å; N506-T606 WeakPolarHBondContact CB-O 3.27Å; N506-T606 PolarHBondContact N-O 2.96Å; N506-T606 VanDerWaalsContact O-CA 3.28Å; N506-T606 WeakPolarHBondContact O-CA 3.42Å; N506-T606 WeakPolarHBondContact O-CG2 3.46Å; L602-T606 WeakPolarHBondContact O-CB 3.22Å; L602-T606 PolarHBondContact O-N 2.89Å; L602-T606 PolarHBondContact O-OG1 3.41Å; I603-T606 PolarHBondContact O-N 3.07Å
607	W	95.9	Very high	91.3	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	22%	0.217	C	C	.	.	H	α-helix	trans	-119.2	1.2	-172.4	-62.8	101.4	0	0	0	114.8	V484 K487 M488 I501 F504 F505 F545 Y549 I603 D605 I609	V484-W607 HydrophobicContact CB-CG 4.3Å; V484-W607 HydrophobicContact CG1-CB 3.94Å; V484-W607 HydrophobicContact CG1-CD2 3.26Å; V484-W607 VanDerWaalsContact CG1-CE2 3.46Å; V484-W607 HydrophobicContact CG1-CE3 3.8Å; V484-W607 HydrophobicContact CG1-CG 3.32Å; V484-W607 HydrophobicContact CG1-CZ2 4.12Å; V484-W607 HydrophobicContact CG1-CZ3 4.42Å; V484-W607 HydrophobicContact CG2-CB 4.15Å; V484-W607 HydrophobicContact CG2-CG 3.98Å; K487-W607 PolarHBondContact NZ-O 2.94Å; M488-W607 HydrophobicContact CE-CE3 4.22Å; M488-W607 HydrophobicContact CE-CH2 3.66Å; M488-W607 HydrophobicContact CE-CZ2 4.36Å; M488-W607 HydrophobicContact CE-CZ3 3.6Å; M488-W607 HydrophobicContact SD-CE3 4.14Å; M488-W607 HydrophobicContact SD-CH2 3.83Å; M488-W607 HydrophobicContact SD-CZ3 3.33Å; M488-W607 WeakPolarHBondContact SD-CZ3 3.28Å; I501-W607 HydrophobicContact CG2-CH2 4.11Å; F504-W607 HydrophobicContact CB-CE3 3.94Å; F504-W607 HydrophobicContact CB-CZ3 4.02Å; F505-W607 HydrophobicContact CB-CH2 4.25Å; F505-W607 HydrophobicContact CB-CZ3 4.06Å; F505-W607 AromaticContact CD2-CH2 3.95Å; F505-W607 HydrophobicContact CD2-CH2 3.95Å; F505-W607 AromaticContact CD2-CZ2 3.8Å; F505-W607 HydrophobicContact CD2-CZ2 3.8Å; F505-W607 HydrophobicContact CD2-CZ3 4.4Å; F505-W607 HydrophobicContact CE2-CZ2 4.48Å; F545-W607 AromaticContact CE2-CH2 3.92Å; F545-W607 HydrophobicContact CE2-CH2 3.92Å; F545-W607 AromaticContact CE2-CZ2 3.62Å; F545-W607 HydrophobicContact CE2-CZ2 3.62Å; F545-W607 HydrophobicContact CZ-CH2 4.16Å; F545-W607 AromaticContact CZ-CZ2 3.63Å; F545-W607 HydrophobicContact CZ-CZ2 3.63Å; Y549-W607 HydrophobicContact CE2-CZ2 4.48Å; Y549-W607 AromaticContact CZ-NE1 3.57Å; Y549-W607 VanDerWaalsContact OH-CE2 3.31Å; Y549-W607 WeakPolarHBondContact OH-CZ2 3.07Å; Y549-W607 PolarHBondContact OH-NE1 3.44Å; I603-W607 VanDerWaalsContact O-CD1 3.31Å; I603-W607 PolarHBondContact O-N 3.38Å; D605-W607 VanDerWaalsContact C-N 3.34Å; W607-I609 HydrophobicContact CB-CD1 3.78Å; W607-I609 HydrophobicContact CB-CG1 3.84Å
608	C	88.5	Confident	92.3	Very high	88 Å²	88	42.8 Å²	42.8	60%	0.595	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.2	65.3	-177.3	-53.7	0	0	0	0	111.9	K487 Q604	K487-C608 PolarHBondContact NZ-O 3.35Å; Q604-C608 WeakPolarHBondContact O-CA 3.29Å; Q604-C608 PolarHBondContact O-N 3.09Å
609	I	81.2	Confident	92.5	Very high	94 Å²	94	42.6 Å²	42.6	48%	0.482	22%	0.224	S	C	.	.			trans	-122.9	0	-176.4	-51.9	-177.4	0	0	0	111.7	V484 K487 Q604 W607	V484-I609 VanDerWaalsContact CA-CD1 3.43Å; V484-I609 HydrophobicContact CB-CD1 3.75Å; V484-I609 HydrophobicContact CG1-CD1 4.31Å; V484-I609 HydrophobicContact CG2-CD1 3.21Å; K487-I609 HydrophobicContact CD-CD1 4.48Å; K487-I609 HydrophobicContact CD-CG1 4.28Å; Q604-I609 PolarHBondContact O-N 3.2Å; W607-I609 HydrophobicContact CB-CD1 3.78Å; W607-I609 HydrophobicContact CB-CG1 3.84Å

Retrieved 609 of 609 residues in 196.2 ms (Link to these results)

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