G4M056_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession G4M056, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 586 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	25.8	Very low	27.1	Very low	242 Å²	242	125.7 Å²	125.7	100%	1.192	65%	0.651	S	S	*	*				0	105.9	0	-71.6	-169.1	-158.8	0	0	105.1
2	E	23.2	Very low	27	Very low	205 Å²	205	127.3 Å²	127.3	96%	0.958	67%	0.67	S	S	*	*			trans	-67.1	140.5	-174.1	-83.9	175.8	150	0	0	111.4
3	I	27.6	Very low	26.9	Very low	131 Å²	131	127.2 Å²	127.2	67%	0.672	68%	0.677	S	S	*	*			trans	-73.1	131.6	-163.1	-68	159.7	0	0	0	111.5	C5	I3-C5 HydrophobicContact CG2-CB 3.59Å; I3-C5 WeakPolarHBondContact CG2-SG 3.2Å
4	L	27.1	Very low	26.9	Very low	91 Å²	91	122.6 Å²	122.6	48%	0.476	68%	0.675	S	S	.	*			trans	-89.4	93.7	154.1	-81	164	0	0	0	107.5	E285	L4-E285 WeakPolarHBondContact CD1-OE1 3.36Å
5	C	27.7	Very low	26.8	Very low	47 Å²	47	122 Å²	122	32%	0.318	68%	0.683	S	S	.	*			trans	-118.7	114.2	163.3	-82.3	0	0	0	0	106.8	I3 Y7	I3-C5 HydrophobicContact CG2-CB 3.59Å; I3-C5 WeakPolarHBondContact CG2-SG 3.2Å; C5-Y7 PolarHBondContact O-N 2.64Å
6	N	29.2	Very low	26.8	Very low	63 Å²	63	121.4 Å²	121.4	34%	0.337	69%	0.69	S	S	.	*			trans	-65.2	109.4	166.1	-82.3	-28.1	0	0	0	107.8
7	Y	31	Very low	26.7	Very low	114 Å²	114	126.8 Å²	126.8	45%	0.447	70%	0.703	S	S	.	*			trans	-146.4	123.7	154.4	-101.1	-74.7	0	0	0	111.5	C5 Q9 T405 E407	C5-Y7 PolarHBondContact O-N 2.64Å; Y7-Q9 PolarHBondContact O-N 3.11Å; Y7-T405 HydrophobicContact CE2-CG2 3.61Å; Y7-T405 WeakPolarHBondContact OH-CG2 3.35Å; Y7-E407 WeakPolarHBondContact CE2-OE2 3.41Å; Y7-E407 PolarHBondContact OH-OE1 2.89Å; Y7-E407 PolarHBondContact OH-OE2 3.04Å
8	S	27.2	Very low	26.8	Very low	89 Å²	89	125.6 Å²	125.6	62%	0.622	71%	0.705	S	S	*	*			trans	-61.8	112.4	149.8	173.8	0	0	0	0	107.6
9	Q	25.8	Very low	27	Very low	186 Å²	186	124.7 Å²	124.7	87%	0.869	71%	0.708	S	S	*	*			trans	-83.7	109.6	163.8	-78.8	-163.5	-15.5	0	0	108.5	Y7	Y7-Q9 PolarHBondContact O-N 3.11Å
10	N	27.9	Very low	26.9	Very low	109 Å²	109	127.8 Å²	127.8	58%	0.583	72%	0.716	S	S	*	*			trans	-71.3	127.8	162.9	-89.4	-28	0	0	0	109.7	V12 E534	N10-V12 PolarHBondContact O-N 3.11Å; N10-E534 PolarHBondContact OD1-OE2 2.91Å
11	P	26	Very low	27.1	Very low	106 Å²	106	128.1 Å²	128.1	69%	0.688	72%	0.722	S	S	*	*			trans	-75.4	125.2	167.8	30.1	-27.9	0	0	0	108.5	V13	P11-V13 PolarHBondContact O-N 3.07Å
12	V	26.1	Very low	27.2	Very low	145 Å²	145	124.4 Å²	124.4	88%	0.879	70%	0.701	S	S	*	*			trans	-60.6	101.8	165.5	175.7	0	0	0	0	107.8	N10 G14	N10-V12 PolarHBondContact O-N 3.11Å; V12-G14 PolarHBondContact O-N 3.24Å; V12-G14 VanDerWaalsContact O-N 3.13Å
13	V	25.6	Very low	27.6	Very low	125 Å²	125	122.8 Å²	122.8	76%	0.758	69%	0.693	S	S	*	*			trans	-74.8	98.9	167.4	177.6	0	0	0	0	107.4	P11 S15	P11-V13 PolarHBondContact O-N 3.07Å; V13-S15 PolarHBondContact O-N 2.74Å; V13-S15 VanDerWaalsContact O-N 3.1Å
14	G	26.6	Very low	27.6	Very low	63 Å²	63	125 Å²	125	65%	0.649	70%	0.701	S	S	*	*			trans	-64.4	103.2	162.6	0	0	0	0	0	109.4	V12 S16	V12-G14 PolarHBondContact O-N 3.24Å; V12-G14 VanDerWaalsContact O-N 3.13Å; G14-S16 PolarHBondContact O-N 2.6Å; G14-S16 VanDerWaalsContact O-N 3.16Å
15	S	24.8	Very low	27.8	Very low	114 Å²	114	126.4 Å²	126.4	80%	0.797	72%	0.715	S	S	*	*			trans	-73.6	96.3	166	61.9	0	0	0	0	109.3	V13	V13-S15 PolarHBondContact O-N 2.74Å; V13-S15 VanDerWaalsContact O-N 3.1Å
16	S	26.6	Very low	28	Very low	113 Å²	113	130.8 Å²	130.8	79%	0.79	74%	0.74	S	S	*	*			trans	-99.4	92.5	161.5	52.6	0	0	0	0	109	G14	G14-S16 PolarHBondContact O-N 2.6Å; G14-S16 VanDerWaalsContact O-N 3.16Å
17	K	25.2	Very low	27.9	Very low	212 Å²	212	132.7 Å²	132.7	92%	0.922	76%	0.759	S	S	*	*			trans	-92.6	107.9	152.5	-84	-175.8	177	177.9	0	107.2
18	S	29.3	Very low	27.8	Very low	106 Å²	106	134.1 Å²	134.1	74%	0.741	78%	0.779	S	S	*	*			trans	-153.8	109.8	151.6	59.8	0	0	0	0	110.3
19	S	30.3	Very low	27.8	Very low	109 Å²	109	135.4 Å²	135.4	76%	0.762	79%	0.788	S	S	*	*			trans	5.4	129.4	151.4	49.8	0	0	0	0	119.7
20	H	26.1	Very low	28	Very low	185 Å²	185	131 Å²	131	86%	0.856	78%	0.783	S	S	*	*			trans	-42.1	128.8	145.7	-76.7	-72.1	0	0	0	112.7
21	T	31.1	Very low	28	Very low	136 Å²	136	135.4 Å²	135.4	83%	0.834	80%	0.797	S	S	*	*				-173.3	150.1	125.8	18.2	0	0	0	0	110.1
22	E	26.4	Very low	27.9	Very low	163 Å²	163	135.9 Å²	135.9	76%	0.762	80%	0.798	S	S	*	*			trans	-68	144.1	-165.6	-60.2	151.7	142.9	0	0	114.2
23	H	31.7	Very low	28	Very low	172 Å²	172	138.2 Å²	138.2	80%	0.796	80%	0.799	S	S	*	*				170	158	112.8	-95.9	-71	0	0	0	112.8
24	E	28.6	Very low	28.1	Very low	177 Å²	177	138.7 Å²	138.7	83%	0.827	80%	0.798	S	S	*	*			trans	-52.2	166.5	-166.3	-78.9	-178.9	139.6	0	0	120.3
25	P	31.8	Very low	28.2	Very low	120 Å²	120	142.4 Å²	142.4	78%	0.779	81%	0.808	S	S	*	*			trans	-98.8	155.3	-162.1	38	-31	0	0	0	114.3
26	V	30.5	Very low	28.2	Very low	139 Å²	139	143.2 Å²	143.2	84%	0.842	81%	0.808	S	S	*	*			trans	-122.4	127.2	163.5	178.9	0	0	0	0	109.9
27	S	26.4	Very low	28.3	Very low	104 Å²	104	142.4 Å²	142.4	73%	0.727	81%	0.808	S	S	*	*			trans	-70.6	139	173.3	44.9	0	0	0	0	112.6
28	V	30.8	Very low	28.4	Very low	144 Å²	144	137.8 Å²	137.8	87%	0.873	80%	0.803	S	S	*	*			trans	-142.9	111.8	141.6	-175.5	0	0	0	0	108.7
29	S	25.5	Very low	28.3	Very low	115 Å²	115	140.4 Å²	140.4	80%	0.804	80%	0.803	S	S	*	*			trans	-72	140.7	164.1	-61.9	0	0	0	0	111
30	A	30.3	Very low	28	Very low	94 Å²	94	147 Å²	147	78%	0.777	81%	0.811	S	S	*	*			trans	-156.4	110.4	144.6	0	0	0	0	0	112.2
31	K	27.6	Very low	28.1	Very low	202 Å²	202	147.5 Å²	147.5	88%	0.878	81%	0.806	S	S	*	*			trans	71	90.8	146.5	-70.6	-177.9	175.3	178.9	0	120.1
32	V	25.5	Very low	27.7	Very low	116 Å²	116	148.8 Å²	148.8	70%	0.703	81%	0.808	S	S	*	*			trans	-48	132.9	130.7	175.3	0	0	0	0	111.3
33	Q	27.5	Very low	27.8	Very low	194 Å²	194	147.5 Å²	147.5	91%	0.907	81%	0.805	S	S	*	*			trans	-133.6	105.7	143.7	-106.4	-176.2	-18.4	0	0	108.1
34	D	26.7	Very low	27.5	Very low	135 Å²	135	146.8 Å²	146.8	72%	0.722	81%	0.807	S	S	*	*			trans	-64.9	133.3	161.4	-78.1	-50.2	0	0	0	110.1
35	T	28.4	Very low	27.3	Very low	141 Å²	141	144 Å²	144	87%	0.865	81%	0.805	S	S	*	*			trans	-130	98.6	148.3	45.6	0	0	0	0	108.9
36	T	25.6	Very low	27.2	Very low	131 Å²	131	144 Å²	144	80%	0.804	80%	0.803	S	S	*	*			trans	-73.3	132	156.1	48.9	0	0	0	0	109.8
37	A	29.9	Very low	26.8	Very low	95 Å²	95	143.4 Å²	143.4	79%	0.785	81%	0.805	S	S	*	*			trans	168.7	109.1	130.2	0	0	0	0	0	112.4
38	S	26.3	Very low	26.8	Very low	116 Å²	116	142.8 Å²	142.8	81%	0.811	80%	0.801	S	S	*	*				45.4	102.4	129	-155.5	0	0	0	0	119.3
39	Q	26.9	Very low	26.6	Very low	160 Å²	160	143.1 Å²	143.1	75%	0.748	80%	0.797	S	S	*	*				-154	101.3	127.3	-110.2	175	28	0	0	109.8	R41	Q39-R41 PolarHBondContact O-N 3.23Å
40	R	24.7	Very low	26.6	Very low	247 Å²	247	145.6 Å²	145.6	93%	0.932	80%	0.8	S	S	*	*			trans	-65.6	112.5	158.2	-77.4	179.2	175	176.8	-2	107.5
41	R	26.9	Very low	26.4	Very low	196 Å²	196	150.7 Å²	150.7	74%	0.74	81%	0.805	S	S	*	*			trans	-124.3	113.5	155.7	-81.7	-173.6	-179.9	166.6	1.9	108.4	Q39 I43	Q39-R41 PolarHBondContact O-N 3.23Å; R41-I43 PolarHBondContact O-N 2.89Å
42	N	24.7	Very low	26.2	Very low	164 Å²	164	146.6 Å²	146.6	88%	0.877	80%	0.802	S	S	*	*			trans	-53.9	120.3	159.8	-78.2	-22.6	0	0	0	108.3
43	I	27.5	Very low	26.2	Very low	136 Å²	136	146.7 Å²	146.7	70%	0.697	81%	0.808	S	S	*	*			trans	-119.4	101.1	162.1	-61.8	178.5	0	0	0	106.1	R41 C45	R41-I43 PolarHBondContact O-N 2.89Å; I43-C45 WeakPolarHBondContact CG2-SG 2.96Å; I43-C45 PolarHBondContact O-N 2.93Å
44	N	24.6	Very low	26.1	Very low	157 Å²	157	146.2 Å²	146.2	84%	0.84	81%	0.81	S	S	*	*			trans	-70.9	108	155.5	-79.6	-21.8	0	0	0	106.7
45	C	25.9	Very low	26.1	Very low	117 Å²	117	148.4 Å²	148.4	79%	0.791	82%	0.816	S	S	*	*			trans	-96.3	97.2	165.7	-89.1	0	0	0	0	108.7	I43	I43-C45 WeakPolarHBondContact CG2-SG 2.96Å; I43-C45 PolarHBondContact O-N 2.93Å
46	T	28.2	Very low	26	Very low	121 Å²	121	149.4 Å²	149.4	74%	0.742	82%	0.816	S	S	*	*			trans	-72.6	122.3	158.8	45	0	0	0	0	108.9	S48	T46-S48 PolarHBondContact O-N 2.95Å
47	S	23.6	Very low	26.2	Very low	126 Å²	126	147.7 Å²	147.7	88%	0.881	82%	0.815	S	S	*	*			trans	-72.8	99.2	170.6	52.4	0	0	0	0	110.6
48	S	26	Very low	26	Very low	91 Å²	91	152.6 Å²	152.6	64%	0.636	82%	0.822	S	S	*	*			trans	-161.8	136.9	157.8	46.6	0	0	0	0	109.7	T46	T46-S48 PolarHBondContact O-N 2.95Å
49	N	26.5	Very low	26.3	Very low	151 Å²	151	154.5 Å²	154.5	81%	0.807	82%	0.822	S	S	*	*			trans	88.6	76.5	173.9	-53.1	-21.8	0	0	0	117.2
50	I	25.3	Very low	26.3	Very low	167 Å²	167	152 Å²	152	86%	0.856	82%	0.819	S	S	*	*			trans	-120.3	80.9	141.5	-58	178.7	0	0	0	106.8
51	F	25.5	Very low	26.4	Very low	201 Å²	201	147.2 Å²	147.2	88%	0.882	82%	0.817	S	S	*	*			trans	-156.6	136.1	157.1	-105.6	-82.1	0	0	0	106.2
52	S	24.6	Very low	26.6	Very low	116 Å²	116	143.6 Å²	143.6	81%	0.811	82%	0.817	S	S	*	*			trans	86.2	81	-176.9	78.4	0	0	0	0	116.7
53	S	25.1	Very low	26.8	Very low	118 Å²	118	141.2 Å²	141.2	83%	0.825	81%	0.81	S	S	*	*			trans	-177.6	71.4	137.3	25.1	0	0	0	0	111.8
54	L	26.1	Very low	26.9	Very low	184 Å²	184	140 Å²	140	96%	0.963	81%	0.805	S	S	*	*			trans	-137.1	79.4	154	-82.2	174.8	0	0	0	108.1
55	Q	25.2	Very low	27	Very low	182 Å²	182	138 Å²	138	85%	0.85	80%	0.801	S	S	*	*			trans	-133.4	126.1	162.2	-118.7	172	-7.6	0	0	106.3
56	N	26.1	Very low	27.2	Very low	162 Å²	162	138.7 Å²	138.7	87%	0.866	80%	0.796	S	S	*	*			trans	82.7	87.4	174.7	-54.3	-24.9	0	0	0	117.5
57	A	30.4	Very low	27.3	Very low	94 Å²	94	139 Å²	139	78%	0.777	80%	0.798	S	S	*	*			trans	-145.5	107.7	140.7	0	0	0	0	0	109.4
58	H	26.4	Very low	27.4	Very low	199 Å²	199	140.6 Å²	140.6	92%	0.921	80%	0.796	S	S	*	*			trans	-70.2	120.2	166.7	-94.7	-68.6	0	0	0	109.2
59	L	31.2	Very low	27.5	Very low	156 Å²	156	146.5 Å²	146.5	82%	0.817	81%	0.81	S	S	*	*			trans	-136.3	151.4	164.3	-80.3	174.7	0	0	0	109.9
60	P	27.1	Very low	27.5	Very low	106 Å²	106	148 Å²	148	69%	0.688	81%	0.81	S	S	*	*			trans	-81.3	148.8	-152	32.3	-34.3	0	0	0	113.3	V62	P60-V62 PolarHBondContact O-N 2.86Å
61	V	27	Very low	27.5	Very low	147 Å²	147	147 Å²	147	89%	0.891	81%	0.806	S	S	*	*			trans	-64.7	111.8	173.3	178.8	0	0	0	0	109.3
62	V	30.7	Very low	27.5	Very low	121 Å²	121	146.3 Å²	146.3	73%	0.733	81%	0.806	S	S	*	*			trans	-104.6	135.3	166.4	-174.9	0	0	0	0	107.6	P60 N64	P60-V62 PolarHBondContact O-N 2.86Å; V62-N64 PolarHBondContact O-N 3.38Å
63	P	29.2	Very low	27.7	Very low	113 Å²	113	149.1 Å²	149.1	73%	0.734	81%	0.811	S	S	*	*			trans	-72.1	130.8	-171	-8.1	24.1	0	0	0	111.1	P65	P63-P65 WeakPolarHBondContact O-CD 3.03Å
64	N	31.2	Very low	27.8	Very low	110 Å²	110	149.9 Å²	149.9	59%	0.588	81%	0.811	S	S	*	*			trans	-64.3	117.1	175	-173.2	-3.3	0	0	0	110.9	V62 N66	V62-N64 PolarHBondContact O-N 3.38Å; N64-N66 PolarHBondContact O-N 3.04Å
65	P	26.2	Very low	27.8	Very low	117 Å²	117	148.9 Å²	148.9	76%	0.76	80%	0.801	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	68.1	172.6	35.5	-30.1	0	0	0	109.2	P63	P63-P65 WeakPolarHBondContact O-CD 3.03Å
66	N	30.2	Very low	27.8	Very low	130 Å²	130	147.2 Å²	147.2	70%	0.695	80%	0.798	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140	20.5	166.9	-86.1	-47.6	0	0	0	112	N64 L68	N64-N66 PolarHBondContact O-N 3.04Å; N66-L68 PolarHBondContact O-N 3.03Å
67	V	28.6	Very low	28	Very low	128 Å²	128	148.5 Å²	148.5	78%	0.776	79%	0.792	S	S	*	*			trans	-100	63.2	171.2	-171.4	0	0	0	0	108.5
68	L	26.7	Very low	27.9	Very low	160 Å²	160	148.5 Å²	148.5	84%	0.838	79%	0.786	S	S	*	*	S	Bend	trans	-167.1	39.7	168.4	-109	159.8	0	0	0	111.5	N66	N66-L68 PolarHBondContact O-N 3.03Å
69	F	28.7	Very low	28.2	Very low	214 Å²	214	146.1 Å²	146.1	94%	0.939	78%	0.781	S	S	*	*	S	Bend	trans	-153	34.2	160.9	-93.4	-72.4	0	0	0	110.7
70	K	25.6	Very low	28.4	Very low	182 Å²	182	146 Å²	146	79%	0.791	78%	0.781	S	S	*	*			trans	-116.9	93.5	166.6	-81.3	-175.6	175.3	-179.4	0	106.5
71	N	25.4	Very low	29.3	Very low	147 Å²	147	146.5 Å²	146.5	79%	0.786	78%	0.777	S	S	*	*	S	Bend	trans	152.7	85.1	161	-79.7	-10.2	0	0	0	106.7
72	E	25.3	Very low	30.7	Very low	186 Å²	186	144.8 Å²	144.8	87%	0.869	77%	0.767	S	S	*	*	S	Bend	trans	176.6	4.9	153	-100.2	168.1	-161	0	0	115.2
73	L	29.3	Very low	32.2	Very low	175 Å²	175	140.3 Å²	140.3	92%	0.916	74%	0.74	S	S	*	*	S	Bend	trans	-127.9	16.7	174.9	-72.1	173.2	0	0	0	115.7
74	T	26.9	Very low	34.3	Very low	134 Å²	134	146.7 Å²	146.7	82%	0.822	75%	0.75	S	S	*	*			trans	-99.6	58.1	166.4	55.5	0	0	0	0	110
75	E	26.3	Very low	36.7	Very low	163 Å²	163	142.8 Å²	142.8	76%	0.762	73%	0.729	S	S	*	*			trans	-90.2	109.2	161.1	-80.4	-168.6	155.9	0	0	108.5	Y77	E75-Y77 PolarHBondContact O-N 3.29Å
76	N	26	Very low	39.3	Very low	147 Å²	147	138.7 Å²	138.7	79%	0.786	70%	0.703	S	S	*	*			trans	40.4	66.8	145.9	-61.2	-30.1	0	0	0	117.8	S78	N76-S78 PolarHBondContact O-N 3.28Å
77	Y	30.6	Very low	41.6	Very low	189 Å²	189	138 Å²	138	74%	0.741	71%	0.706	S	S	*	*			trans	-83.9	70	147.3	-85	-86.4	0	0	0	108.6	E75 D79 L81	E75-Y77 PolarHBondContact O-N 3.29Å; Y77-D79 PolarHBondContact O-N 3.48Å; Y77-L81 HydrophobicContact CD1-CD1 3.88Å; Y77-L81 HydrophobicContact CE1-CD1 3.92Å
78	S	27.5	Very low	43.8	Very low	94 Å²	94	139.7 Å²	139.7	66%	0.657	70%	0.699	S	S	*	*			trans	-72.6	117.6	170.5	55	0	0	0	0	109.7	N76 N80	N76-S78 PolarHBondContact O-N 3.28Å; S78-N80 PolarHBondContact O-N 3.25Å
79	D	31.7	Very low	46.4	Very low	150 Å²	150	132.1 Å²	132.1	80%	0.802	66%	0.659	S	S	*	*	S	Bend	trans	21	83.6	143.1	-61.5	-30.4	0	0	0	115.9	Y77	Y77-D79 PolarHBondContact O-N 3.48Å
80	N	35.3	Very low	48.9	Very low	153 Å²	153	124.2 Å²	124.2	82%	0.818	63%	0.627	S	S	*	*			trans	171.7	37.5	153.2	-87.7	-29.3	0	0	0	114.4	S78	S78-N80 PolarHBondContact O-N 3.25Å
81	L	46.3	Very low	51.2	Low	117 Å²	117	117.7 Å²	117.7	61%	0.613	61%	0.611	S	S	*	*			trans	-105.2	41.4	171.9	-87	152.8	0	0	0	111.7	Y77 P83 A497	Y77-L81 HydrophobicContact CD1-CD1 3.88Å; Y77-L81 HydrophobicContact CE1-CD1 3.92Å; L81-P83 WeakPolarHBondContact O-CD 3.44Å; L81-A497 WeakPolarHBondContact O-CB 3.19Å
82	T	57.2	Low	53.5	Low	111 Å²	111	112.1 Å²	112.1	68%	0.681	58%	0.581	S	S	*	*			trans	-66.4	123.2	160.7	40	0	0	0	0	107.5	R84	T82-R84 PolarHBondContact O-N 2.89Å
83	P	61.6	Low	56	Low	27 Å²	27	103.5 Å²	103.5	18%	0.175	54%	0.541	C	S	.	.			trans	-57.2	134.5	179.2	22.2	-30.8	0	0	0	108.4	L81 I85 M496	L81-P83 WeakPolarHBondContact O-CD 3.44Å; P83-I85 VanDerWaalsContact C-N 3.33Å; P83-I85 HydrophobicContact CB-CG2 4.24Å; P83-I85 PolarHBondContact O-N 2.87Å; P83-M496 HydrophobicContact CB-CB 4.45Å; P83-M496 HydrophobicContact CG-CB 3.96Å
84	R	74.5	Confident	57.6	Low	246 Å²	246	99.1 Å²	99.1	93%	0.928	52%	0.516	S	S	*	.			trans	-67.4	96.3	174.7	-76.1	-170.1	-176.4	-156.6	2.1	107.9	T82	T82-R84 PolarHBondContact O-N 2.89Å
85	I	79.9	Confident	58.4	Low	28 Å²	28	94.8 Å²	94.8	14%	0.144	49%	0.49	C	S	.	.			trans	-124.6	141.4	177.1	56.8	180	0	0	0	110.1	P83 L89 L90 L493 M496 W506 D507	P83-I85 VanDerWaalsContact C-N 3.33Å; P83-I85 HydrophobicContact CB-CG2 4.24Å; P83-I85 PolarHBondContact O-N 2.87Å; I85-L89 HydrophobicContact CB-CB 4.46Å; I85-L89 HydrophobicContact CB-CD2 4.09Å; I85-L89 HydrophobicContact CB-CG 4.42Å; I85-L89 HydrophobicContact CG2-CD2 3.89Å; I85-L90 HydrophobicContact CD1-CB 4.35Å; I85-L90 HydrophobicContact CD1-CD1 3.46Å; I85-L90 VanDerWaalsContact CD1-CD1 3.46Å; I85-L90 HydrophobicContact CG1-CB 4.42Å; I85-L90 HydrophobicContact CG1-CD1 3.92Å; I85-L493 HydrophobicContact CD1-CD2 3.78Å; I85-M496 HydrophobicContact CD1-CE 4.2Å; I85-M496 HydrophobicContact CG2-CE 3.75Å; I85-W506 HydrophobicContact CG2-CB 3.78Å; I85-W506 HydrophobicContact CG2-CG 4.1Å; I85-D507 WeakPolarHBondContact CA-OD2 3.46Å
86	S	81.4	Confident	59	Low	31 Å²	31	96.4 Å²	96.4	22%	0.217	49%	0.489	C	S	.	.			trans	-61.2	155.3	178.9	71.4	0	0	0	0	111.5	Y88 L89 L90 D507	S86-Y88 PolarHBondContact O-N 2.87Å; S86-Y88 VanDerWaalsContact O-N 3.14Å; S86-L89 PolarHBondContact O-N 2.83Å; S86-L89 PolarHBondContact OG-N 2.9Å; S86-L90 WeakPolarHBondContact O-CB 3.2Å; S86-L90 PolarHBondContact O-N 3.44Å; S86-D507 WeakPolarHBondContact CB-OD1 3.5Å; S86-D507 PolarHBondContact N-OD1 3.28Å; S86-D507 PolarHBondContact N-OD2 3Å; S86-D507 PolarHBondContact OG-OD1 2.75Å
87	P	77.9	Confident	59.7	Low	117 Å²	117	93.7 Å²	93.7	76%	0.76	48%	0.479	S	S	*	.	H	α-helix	trans	-56.1	-28.7	172.7	-25.7	34.7	0	0	0	113.4	G91	P87-G91 PolarHBondContact O-N 2.85Å
88	Y	76.5	Confident	60.2	Low	163 Å²	163	88.2 Å²	88.2	64%	0.639	47%	0.466	S	S	*	.	H	α-helix	trans	-65.9	-53.8	175.6	174.9	-98.9	0	0	0	111.2	S86 L90 G91 M92	S86-Y88 PolarHBondContact O-N 2.87Å; S86-Y88 VanDerWaalsContact O-N 3.14Å; Y88-L90 VanDerWaalsContact C-N 3.31Å; Y88-L90 PolarHBondContact O-N 2.99Å; Y88-G91 PolarHBondContact O-N 2.75Å; Y88-G91 VanDerWaalsContact O-N 3.12Å; Y88-M92 HydrophobicContact CD1-SD 4.17Å; Y88-M92 HydrophobicContact CE1-CG 4.46Å; Y88-M92 HydrophobicContact CE1-SD 3.44Å; Y88-M92 WeakPolarHBondContact CE1-SD 3.35Å; Y88-M92 PolarHBondContact O-N 3.4Å; Y88-M92 VanDerWaalsContact O-N 3.1Å
89	L	80.1	Confident	60.6	Low	0 Å²	0	86.9 Å²	86.9	0%	0	46%	0.457	C	S	.	.	H	α-helix	trans	-64.9	-39.1	178.4	-177.7	56.5	0	0	0	111.1	I85 S86 G91 M92 L93 L353 M496 W506 I510	I85-L89 HydrophobicContact CB-CB 4.46Å; I85-L89 HydrophobicContact CB-CD2 4.09Å; I85-L89 HydrophobicContact CB-CG 4.42Å; I85-L89 HydrophobicContact CG2-CD2 3.89Å; S86-L89 PolarHBondContact O-N 2.83Å; S86-L89 PolarHBondContact OG-N 2.9Å; L89-G91 VanDerWaalsContact C-N 3.29Å; L89-G91 PolarHBondContact O-N 3.18Å; L89-M92 WeakPolarHBondContact O-CB 3.32Å; L89-M92 PolarHBondContact O-N 2.82Å; L89-M92 VanDerWaalsContact O-N 3.11Å; L89-L93 HydrophobicContact CD1-CD1 3.66Å; L89-L93 HydrophobicContact CD1-CG 3.97Å; L89-L93 HydrophobicContact CD2-CD1 4.43Å; L89-L93 HydrophobicContact CG-CD1 3.75Å; L89-L93 HydrophobicContact CG-CG 4.39Å; L89-L93 WeakPolarHBondContact O-CB 3.41Å; L89-L93 VanDerWaalsContact O-CG 3.32Å; L89-L93 WeakPolarHBondContact O-CG 3.39Å; L89-L93 PolarHBondContact O-N 3.06Å; L89-L93 VanDerWaalsContact O-N 3.1Å; L89-L353 HydrophobicContact CD1-CD2 4.06Å; L89-L353 HydrophobicContact CD2-CD2 4.41Å; L89-M496 HydrophobicContact CD2-CE 4.45Å; L89-W506 HydrophobicContact CD2-CB 3.6Å; L89-I510 HydrophobicContact CD1-CB 4.26Å; L89-I510 HydrophobicContact CD1-CG1 4.22Å; L89-I510 HydrophobicContact CD1-CG2 4.17Å; L89-I510 HydrophobicContact CD2-CG2 4.41Å
90	L	82.1	Confident	60.8	Low	49 Å²	49	84.3 Å²	84.3	26%	0.257	44%	0.442	S	S	.	.	H	α-helix	trans	-58.9	-41.4	172.7	-164.3	72.9	0	0	0	111.6	I85 S86 Y88 M92 L93 Q94 L493	I85-L90 HydrophobicContact CD1-CB 4.35Å; I85-L90 HydrophobicContact CD1-CD1 3.46Å; I85-L90 VanDerWaalsContact CD1-CD1 3.46Å; I85-L90 HydrophobicContact CG1-CB 4.42Å; I85-L90 HydrophobicContact CG1-CD1 3.92Å; S86-L90 WeakPolarHBondContact O-CB 3.2Å; S86-L90 PolarHBondContact O-N 3.44Å; Y88-L90 VanDerWaalsContact C-N 3.31Å; Y88-L90 PolarHBondContact O-N 2.99Å; L90-M92 VanDerWaalsContact C-N 3.29Å; L90-M92 PolarHBondContact O-N 2.99Å; L90-L93 PolarHBondContact O-N 3Å; L90-Q94 HydrophobicContact CD1-CG 3.56Å; L90-Q94 HydrophobicContact CG-CB 4.45Å; L90-Q94 HydrophobicContact CG-CG 3.73Å; L90-Q94 VanDerWaalsContact O-CB 3.29Å; L90-Q94 WeakPolarHBondContact O-CB 3.39Å; L90-Q94 PolarHBondContact O-N 3.41Å; L90-L493 HydrophobicContact CD1-CD2 4.34Å
91	G	72.9	Confident	60.9	Low	45 Å²	45	82.5 Å²	82.5	46%	0.464	44%	0.439	S	S	.	.	H	α-helix	trans	-65.2	-28.6	175.8	0	0	0	0	0	114	P87 Y88 L89 H360	P87-G91 PolarHBondContact O-N 2.85Å; Y88-G91 PolarHBondContact O-N 2.75Å; Y88-G91 VanDerWaalsContact O-N 3.12Å; L89-G91 VanDerWaalsContact C-N 3.29Å; L89-G91 PolarHBondContact O-N 3.18Å; G91-H360 PolarHBondContact O-CE1 3.06Å
92	M	75.3	Confident	61	Low	30 Å²	30	78.2 Å²	78.2	15%	0.148	42%	0.416	C	S	.	.	H	α-helix	trans	-77.8	-24.7	173.8	-69	-178.9	63.8	0	0	113.7	Y88 L89 L90 Y357 H360 I510	Y88-M92 HydrophobicContact CD1-SD 4.17Å; Y88-M92 HydrophobicContact CE1-CG 4.46Å; Y88-M92 HydrophobicContact CE1-SD 3.44Å; Y88-M92 WeakPolarHBondContact CE1-SD 3.35Å; Y88-M92 PolarHBondContact O-N 3.4Å; Y88-M92 VanDerWaalsContact O-N 3.1Å; L89-M92 WeakPolarHBondContact O-CB 3.32Å; L89-M92 PolarHBondContact O-N 2.82Å; L89-M92 VanDerWaalsContact O-N 3.11Å; L90-M92 VanDerWaalsContact C-N 3.29Å; L90-M92 PolarHBondContact O-N 2.99Å; M92-Y357 HydrophobicContact CE-CD2 4.2Å; M92-H360 WeakPolarHBondContact O-CB 3.37Å; M92-H360 VanDerWaalsContact O-CG 3.32Å; M92-I510 HydrophobicContact CE-CD1 4.49Å
93	L	76	Confident	60.8	Low	5 Å²	5	75.2 Å²	75.2	3%	0.026	40%	0.398	C	S	.	.	H	α-helix	trans	-113.4	-32.1	-168.9	-64.2	179.2	0	0	0	114.2	L89 L90 C95 L353 V492 M496	L89-L93 HydrophobicContact CD1-CD1 3.66Å; L89-L93 HydrophobicContact CD1-CG 3.97Å; L89-L93 HydrophobicContact CD2-CD1 4.43Å; L89-L93 HydrophobicContact CG-CD1 3.75Å; L89-L93 HydrophobicContact CG-CG 4.39Å; L89-L93 WeakPolarHBondContact O-CB 3.41Å; L89-L93 VanDerWaalsContact O-CG 3.32Å; L89-L93 WeakPolarHBondContact O-CG 3.39Å; L89-L93 PolarHBondContact O-N 3.06Å; L89-L93 VanDerWaalsContact O-N 3.1Å; L90-L93 PolarHBondContact O-N 3Å; L93-C95 PolarHBondContact O-N 3.38Å; L93-L353 HydrophobicContact CD1-CD2 3.77Å; L93-L353 HydrophobicContact CD2-CD2 4.38Å; L93-V492 HydrophobicContact CB-CG1 4.02Å; L93-V492 HydrophobicContact CD2-CG1 4.47Å; L93-M496 HydrophobicContact CD1-CE 3.72Å; L93-M496 HydrophobicContact CD1-SD 3.56Å; L93-M496 VanDerWaalsContact CD1-SD 3.56Å
94	Q	63.5	Low	60.6	Low	83 Å²	83	84.3 Å²	84.3	39%	0.388	43%	0.429	S	S	.	.			trans	-73.2	117.4	-179.2	-87.6	-172.9	-18.4	0	0	110.3	L90 R96 H360 L493	L90-Q94 HydrophobicContact CD1-CG 3.56Å; L90-Q94 HydrophobicContact CG-CB 4.45Å; L90-Q94 HydrophobicContact CG-CG 3.73Å; L90-Q94 VanDerWaalsContact O-CB 3.29Å; L90-Q94 WeakPolarHBondContact O-CB 3.39Å; L90-Q94 PolarHBondContact O-N 3.41Å; Q94-R96 VanDerWaalsContact C-N 3.27Å; Q94-R96 PolarHBondContact O-N 3.13Å; Q94-H360 VanDerWaalsContact C-ND1 3.31Å; Q94-H360 PolarHBondContact O-CE1 3.49Å; Q94-H360 PolarHBondContact O-ND1 2.57Å; Q94-L493 HydrophobicContact CG-CD1 3.92Å
95	C	44.6	Very low	60.9	Low	43 Å²	43	77.2 Å²	77.2	29%	0.291	41%	0.409	S	S	.	.			trans	-56.6	98.5	154.7	-70.3	0	0	0	0	107.3	L93 P97 R421	L93-C95 PolarHBondContact O-N 3.38Å; C95-P97 WeakPolarHBondContact O-CD 3.43Å; C95-R421 PolarHBondContact SG-NH1 2.7Å
96	R	38.7	Very low	61.2	Low	197 Å²	197	78.2 Å²	78.2	74%	0.743	42%	0.417	S	S	*	.			trans	-54.8	129.6	159.4	-74.9	-170.7	179.3	-174	0.7	104.5	Q94 V98	Q94-R96 VanDerWaalsContact C-N 3.27Å; Q94-R96 PolarHBondContact O-N 3.13Å; R96-V98 PolarHBondContact O-N 2.77Å; R96-V98 VanDerWaalsContact O-N 3.12Å
97	P	40.7	Very low	61.7	Low	89 Å²	89	79.1 Å²	79.1	58%	0.578	42%	0.421	S	S	*	.			trans	-48.6	133	153.5	6.4	-1.2	0	0	0	103.7	C95 S99	C95-P97 WeakPolarHBondContact O-CD 3.43Å; P97-S99 PolarHBondContact O-N 3.07Å
98	V	39.7	Very low	62.4	Low	74 Å²	74	75.6 Å²	75.6	45%	0.448	39%	0.394	S	S	.	.	S	Bend	trans	-69.4	57.2	172.7	-171.2	0	0	0	0	108	R96 L100	R96-V98 PolarHBondContact O-N 2.77Å; R96-V98 VanDerWaalsContact O-N 3.12Å; V98-L100 HydrophobicContact CG1-CB 4.36Å; V98-L100 HydrophobicContact CG1-CD1 3.82Å; V98-L100 HydrophobicContact CG1-CG 4.08Å; V98-L100 PolarHBondContact O-N 2.89Å
99	S	37.6	Very low	63.3	Low	67 Å²	67	71.2 Å²	71.2	47%	0.469	38%	0.379	S	S	.	.			trans	-77.6	72.1	130.4	66.3	0	0	0	0	107	P97	P97-S99 PolarHBondContact O-N 3.07Å
100	L	34.8	Very low	63.9	Low	95 Å²	95	71.9 Å²	71.9	50%	0.497	39%	0.386	S	S	.	.			trans	-48.9	145.4	136.9	-81.9	158.1	0	0	0	105.6	V98 L102	V98-L100 HydrophobicContact CG1-CB 4.36Å; V98-L100 HydrophobicContact CG1-CD1 3.82Å; V98-L100 HydrophobicContact CG1-CG 4.08Å; V98-L100 PolarHBondContact O-N 2.89Å; L100-L102 PolarHBondContact O-N 3.23Å
101	P	38.3	Very low	64.5	Low	116 Å²	116	73.6 Å²	73.6	75%	0.753	39%	0.389	S	S	*	.			trans	-66.6	78.7	173.3	29.7	-31.3	0	0	0	106.7	T103	P101-T103 PolarHBondContact O-N 2.84Å
102	L	48	Very low	65.6	Low	26 Å²	26	71.5 Å²	71.5	14%	0.136	37%	0.367	C	S	.	.			trans	-59.3	125.3	174.1	-67.8	166.7	0	0	0	103.1	L100 R104 T134 Y136	L100-L102 PolarHBondContact O-N 3.23Å; L102-R104 PolarHBondContact O-N 3.24Å; L102-T134 HydrophobicContact CD2-CG2 4.05Å; L102-Y136 HydrophobicContact CD2-CE2 3.97Å
103	T	53.5	Low	66.4	Low	48 Å²	48	72.3 Å²	72.3	29%	0.294	37%	0.371	S	S	.	.			trans	-53.2	120.9	159.9	55.2	0	0	0	0	105.7	P101 N105 R130 E131 D132	P101-T103 PolarHBondContact O-N 2.84Å; T103-N105 PolarHBondContact O-N 2.92Å; T103-R130 PolarHBondContact O-NH1 3.35Å; T103-E131 HydrophobicContact CG2-CB 4.42Å; T103-E131 PolarHBondContact OG1-N 2.87Å; T103-D132 HydrophobicContact CG2-CB 3.98Å; T103-D132 PolarHBondContact N-OD2 3.2Å; T103-D132 PolarHBondContact OG1-N 2.87Å
104	R	57.4	Low	67.1	Low	219 Å²	219	72.7 Å²	72.7	83%	0.826	37%	0.372	S	S	*	.	S	Bend	trans	-58.8	-18.9	180	-76.5	-173.7	178	179.4	-0.1	111.8	L102 V106	L102-R104 PolarHBondContact O-N 3.24Å; R104-V106 PolarHBondContact O-N 3.4Å
105	N	80.3	Confident	68.1	Low	96 Å²	96	72.4 Å²	72.4	51%	0.513	37%	0.368	S	S	.	.			trans	-76.7	104.8	-179.4	-61.2	-16.7	0	0	0	111	T103 E131	T103-N105 PolarHBondContact O-N 2.92Å; N105-E131 HydrophobicContact CB-CG 3.96Å; N105-E131 VanDerWaalsContact CB-OE2 3.27Å; N105-E131 WeakPolarHBondContact CB-OE2 3.25Å; N105-E131 PolarHBondContact ND2-OE2 2.64Å; N105-E131 PolarHBondContact O-N 2.68Å
106	V	87	Confident	69.1	Low	50 Å²	50	70.9 Å²	70.9	30%	0.303	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	121	164.7	177.4	0	0	0	0	107.8	R104 E109 K128 L129 R130	R104-V106 PolarHBondContact O-N 3.4Å; V106-E109 HydrophobicContact CG1-CB 3.88Å; V106-E109 HydrophobicContact CG1-CG 4.05Å; V106-K128 HydrophobicContact CG1-CB 4.43Å; V106-K128 HydrophobicContact CG2-CD 4.12Å; V106-L129 CarbonylContact C-O 3.55Å; V106-R130 HydrophobicContact CG2-CG 4.48Å
107	V	91.5	Very high	70.2	Confident	50 Å²	50	65.6 Å²	65.6	30%	0.303	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	-40.7	175	178.2	0	0	0	0	110.2	L129 E131 A200 V204	V107-L129 HydrophobicContact CB-CD2 4.48Å; V107-L129 HydrophobicContact CB-CG 4.44Å; V107-L129 HydrophobicContact CG1-CD2 4.47Å; V107-L129 PolarHBondContact N-O 3.02Å; V107-E131 HydrophobicContact CG2-CB 4.32Å; V107-E131 HydrophobicContact CG2-CG 3.43Å; V107-E131 VanDerWaalsContact CG2-CG 3.43Å; V107-A200 HydrophobicContact CG1-CB 4.47Å; V107-V204 HydrophobicContact CB-CG2 4.05Å; V107-V204 HydrophobicContact CG1-CG2 3.9Å; V107-V204 HydrophobicContact CG2-CG2 3.77Å
108	K	92.6	Very high	70.7	Confident	43 Å²	43	67.6 Å²	67.6	19%	0.187	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	138.5	179.2	-177.2	61.3	-176.4	140.4	0	111	L129 Y196 W197 A200	K108-L129 HydrophobicContact CB-CB 4.3Å; K108-L129 HydrophobicContact CB-CD2 4.4Å; K108-L129 PolarHBondContact N-O 2.87Å; K108-L129 PolarHBondContact O-N 2.94Å; K108-Y196 HydrophobicContact CD-CD1 4.18Å; K108-Y196 HydrophobicContact CD-CE1 3.75Å; K108-Y196 VanDerWaalsContact NZ-CE1 3.26Å; K108-W197 HydrophobicContact CB-CE3 4.45Å; K108-W197 HydrophobicContact CB-CZ3 4.06Å; K108-W197 HydrophobicContact CG-CD2 4.13Å; K108-W197 HydrophobicContact CG-CE3 3.68Å; K108-W197 HydrophobicContact CG-CH2 3.84Å; K108-W197 HydrophobicContact CG-CZ2 4.26Å; K108-W197 HydrophobicContact CG-CZ3 3.51Å; K108-A200 HydrophobicContact CB-CB 3.8Å; K108-A200 HydrophobicContact CG-CB 4.17Å
109	E	94.1	Very high	71.1	Confident	70 Å²	70	69 Å²	69	33%	0.327	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	161.3	168.5	59.5	179	-171.5	0	0	112.5	V106 Y126 F127 K128	V106-E109 HydrophobicContact CG1-CB 3.88Å; V106-E109 HydrophobicContact CG1-CG 4.05Å; E109-Y126 HydrophobicContact CB-CE1 3.83Å; E109-Y126 HydrophobicContact CG-CE1 4.28Å; E109-Y126 VanDerWaalsContact CG-OH 3.28Å; E109-Y126 WeakPolarHBondContact CG-OH 3.33Å; E109-Y126 PolarHBondContact OE1-OH 3.23Å; E109-Y126 PolarHBondContact OE2-OH 3.23Å; E109-F127 CarbonylContact C-O 3.39Å; E109-F127 WeakPolarHBondContact CA-O 3.31Å; E109-F127 WeakPolarHBondContact CB-O 3.37Å; E109-K128 HydrophobicContact CB-CG 4Å; E109-K128 WeakPolarHBondContact OE2-CE 3.13Å
110	G	94.6	Very high	72.7	Confident	14 Å²	14	72.7 Å²	72.7	14%	0.144	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.1	178.1	178	0	0	0	0	0	113.2	F127	G110-F127 PolarHBondContact N-O 2.77Å; G110-F127 PolarHBondContact O-N 3.02Å
111	W	94.5	Very high	74.6	Confident	85 Å²	85	71.4 Å²	71.4	32%	0.322	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	134.8	177.7	-68.9	99.5	0	0	0	111.4	R124 R125 Y126	W111-R124 HydrophobicContact CD2-CG 4.31Å; W111-R124 HydrophobicContact CE3-CB 4.45Å; W111-R124 HydrophobicContact CE3-CG 3.65Å; W111-R124 HydrophobicContact CZ3-CG 4.19Å; W111-R125 WeakPolarHBondContact CA-O 3.33Å; W111-Y126 AromaticContact CD1-CD2 4Å; W111-Y126 AromaticContact CD2-CD2 3.96Å; W111-Y126 HydrophobicContact CD2-CD2 3.96Å; W111-Y126 AromaticContact CE2-CD2 3.73Å; W111-Y126 HydrophobicContact CG-CD2 4.16Å; W111-Y126 HydrophobicContact CZ2-CD2 4.2Å; W111-Y126 AromaticContact NE1-CD2 3.72Å
112	L	94.7	Very high	76.7	Confident	2 Å²	2	68.4 Å²	68.4	1%	0.01	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	152.9	167.3	-66.2	172.8	0	0	0	109.7	R125 F127 F135 F171 F186 V188 W197	L112-R125 PolarHBondContact N-O 3.05Å; L112-R125 PolarHBondContact O-N 3.42Å; L112-R125 VanDerWaalsContact O-O 3.12Å; L112-F127 HydrophobicContact CB-CD2 3.63Å; L112-F127 HydrophobicContact CB-CE2 3.87Å; L112-F127 HydrophobicContact CD1-CB 4.15Å; L112-F127 HydrophobicContact CD1-CD2 3.77Å; L112-F127 HydrophobicContact CD1-CE2 4.35Å; L112-F127 HydrophobicContact CD1-CG 4.02Å; L112-F127 HydrophobicContact CG-CD2 4.03Å; L112-F135 HydrophobicContact CD1-CE2 4.45Å; L112-F135 HydrophobicContact CD1-CZ 3.67Å; L112-F171 HydrophobicContact CD1-CZ 4.14Å; L112-F171 HydrophobicContact CD2-CE1 4.2Å; L112-F171 HydrophobicContact CD2-CZ 3.98Å; L112-F186 HydrophobicContact CB-CD1 4.32Å; L112-F186 HydrophobicContact CD1-CD1 4.04Å; L112-F186 HydrophobicContact CD1-CG 4.49Å; L112-V188 HydrophobicContact CD2-CG1 3.28Å; L112-W197 HydrophobicContact CD1-CD2 4.16Å; L112-W197 HydrophobicContact CD1-CE3 4.37Å; L112-W197 HydrophobicContact CD1-CH2 4.31Å; L112-W197 HydrophobicContact CD1-CZ2 4.1Å; L112-W197 HydrophobicContact CD1-CZ3 4.47Å; L112-W197 HydrophobicContact CD2-CD2 4.12Å; L112-W197 HydrophobicContact CD2-CG 4.06Å; L112-W197 HydrophobicContact CD2-CZ2 4.28Å; L112-W197 HydrophobicContact CG-CD2 4.41Å; L112-W197 HydrophobicContact CG-CZ2 3.94Å
113	M	93.1	Very high	78.5	Confident	46 Å²	46	71.7 Å²	71.7	23%	0.227	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	109.8	168.1	-64.9	-68.2	-72	0	0	108.6	W122 R124 F186 F187	M113-W122 HydrophobicContact CB-CE3 4.32Å; M113-W122 HydrophobicContact CE-CB 3.93Å; M113-W122 WeakPolarHBondContact O-CZ3 3.34Å; M113-R124 WeakPolarHBondContact SD-CA 3.13Å; M113-R124 HydrophobicContact SD-CB 3.51Å; M113-R124 VanDerWaalsContact SD-CB 3.51Å; M113-R124 HydrophobicContact SD-CG 3.63Å; M113-F186 CarbonylContact O-C 3.53Å; M113-F186 VanDerWaalsContact O-CA 3.27Å; M113-F186 WeakPolarHBondContact O-CA 3.49Å; M113-F187 HydrophobicContact CB-CD1 3.26Å; M113-F187 HydrophobicContact CB-CD2 4.46Å; M113-F187 HydrophobicContact CB-CE1 3.1Å; M113-F187 HydrophobicContact CB-CE2 4.32Å; M113-F187 HydrophobicContact CB-CG 3.97Å; M113-F187 HydrophobicContact CB-CZ 3.68Å; M113-F187 WeakPolarHBondContact CB-O 3.45Å; M113-F187 HydrophobicContact CE-CE1 3.91Å; M113-F187 HydrophobicContact CE-CZ 4.05Å; M113-F187 HydrophobicContact CG-CD1 4.04Å; M113-F187 HydrophobicContact CG-CE1 3.45Å; M113-F187 VanDerWaalsContact CG-CE1 3.45Å; M113-F187 HydrophobicContact CG-CE2 4.08Å; M113-F187 HydrophobicContact CG-CZ 3.46Å; M113-F187 VanDerWaalsContact CG-CZ 3.46Å; M113-F187 PolarHBondContact N-O 3.3Å; M113-F187 VanDerWaalsContact N-O 3.15Å; M113-F187 PolarHBondContact O-N 3.34Å
114	K	90.1	Very high	80.3	Confident	14 Å²	14	76 Å²	76	6%	0.061	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	134.8	178.7	-171.9	-126.2	177.2	177.3	0	110.1	E117 R123 F127 N151 F186	K114-E117 IonicContact NZ-OE1 3.12Å; K114-E117 PolarHBondContact NZ-OE1 3.47Å; K114-R123 PolarHBondContact N-O 3.14Å; K114-R123 PolarHBondContact O-N 2.8Å; K114-F127 HydrophobicContact CB-CE2 4.17Å; K114-F127 HydrophobicContact CB-CZ 4.07Å; K114-F127 HydrophobicContact CG-CZ 4.23Å; K114-N151 PolarHBondContact NZ-ND2 3.48Å; K114-F186 HydrophobicContact CB-CD1 4.22Å; K114-F186 HydrophobicContact CB-CE1 4.23Å; K114-F186 HydrophobicContact CG-CD1 4.25Å; K114-F186 HydrophobicContact CG-CE1 3.89Å
115	R	84.3	Confident	81.9	Confident	76 Å²	76	67.4 Å²	67.4	29%	0.287	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	132.1	169.2	-161.5	175.6	-174.1	-178.8	1.4	109.7	N121 W122 L185	R115-N121 WeakPolarHBondContact CA-O 3.35Å; R115-W122 HydrophobicContact CB-CD2 4.33Å; R115-W122 HydrophobicContact CB-CE3 3.85Å; R115-W122 HydrophobicContact CB-CH2 4.11Å; R115-W122 HydrophobicContact CB-CZ3 3.73Å; R115-L185 HydrophobicContact CB-CB 3.96Å; R115-L185 PolarHBondContact N-O 3.33Å
116	G	66.5	Low	82.4	Confident	12 Å²	12	63.5 Å²	63.5	12%	0.124	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-64.6	146.8	172.5	0	0	0	0	0	111.6	I119 N121	G116-I119 CarbonylContact C-O 3.34Å; G116-I119 VanDerWaalsContact CA-O 3.23Å; G116-I119 WeakPolarHBondContact CA-O 3.37Å; G116-N121 PolarHBondContact N-O 3.09Å
117	E	61.8	Low	82.7	Confident	86 Å²	86	61.1 Å²	61.1	40%	0.402	28%	0.276	S	S	.	.	S	Bend	trans	-77.1	-49.9	-174.9	-73.6	167.1	-131.9	0	0	111.3	K114 R184	K114-E117 IonicContact NZ-OE1 3.12Å; K114-E117 PolarHBondContact NZ-OE1 3.47Å; E117-R184 IonicContact OE1-CZ 3.4Å; E117-R184 IonicContact OE1-NE 3.05Å; E117-R184 IonicContact OE1-NH1 3.44Å; E117-R184 PolarHBondContact OE1-NH1 3.14Å; E117-R184 IonicContact OE1-NH2 3.51Å; E117-R184 PolarHBondContact OE1-NH2 3.31Å; E117-R184 VanDerWaalsContact OE1-NH2 3.12Å; E117-R184 IonicContact OE2-CZ 3.14Å; E117-R184 VanDerWaalsContact OE2-CZ 3.26Å; E117-R184 IonicContact OE2-NH1 2.7Å; E117-R184 PolarHBondContact OE2-NH1 3.43Å; E117-R184 VanDerWaalsContact OE2-NH1 3.09Å; E117-R184 IonicContact OE2-NH2 3.18Å; E117-R184 PolarHBondContact OE2-NH2 3.02Å
118	H	50.5	Low	82.7	Confident	130 Å²	130	59.6 Å²	59.6	60%	0.602	27%	0.266	S	S	*	.	S	Bend	trans	-90.8	-40.6	-179.9	-52.2	-68	0	0	0	112.2
119	I	48.6	Very low	82.7	Confident	104 Å²	104	57.5 Å²	57.5	53%	0.533	26%	0.257	S	S	.	.	S	Bend	trans	-105.3	111	174.9	-56.8	173.8	0	0	0	106.9	G116 N121	G116-I119 CarbonylContact C-O 3.34Å; G116-I119 VanDerWaalsContact CA-O 3.23Å; G116-I119 WeakPolarHBondContact CA-O 3.37Å; I119-N121 HydrophobicContact CG2-CB 4.25Å; I119-N121 PolarHBondContact O-N 3.39Å; I119-N121 PolarHBondContact O-OD1 2.71Å
120	K	70.8	Confident	82.4	Confident	144 Å²	144	54.2 Å²	54.2	63%	0.626	24%	0.241	S	C	*	.			trans	-69	31.8	-173.5	-67.5	179.9	-179.4	174.9	0	114.4
121	N	75.4	Confident	82.1	Confident	68 Å²	68	56.7 Å²	56.7	36%	0.364	25%	0.249	S	C	.	.			trans	-89.1	157.1	174.7	70.4	-0.8	0	0	0	112.2	R115 G116 I119 R123	R115-N121 WeakPolarHBondContact CA-O 3.35Å; G116-N121 PolarHBondContact N-O 3.09Å; I119-N121 HydrophobicContact CG2-CB 4.25Å; I119-N121 PolarHBondContact O-N 3.39Å; I119-N121 PolarHBondContact O-OD1 2.71Å; N121-R123 PolarHBondContact OD1-NE 3.42Å; N121-R123 PolarHBondContact OD1-NH2 2.92Å
122	W	82.1	Confident	81.5	Confident	54 Å²	54	54.5 Å²	54.5	21%	0.205	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	132.3	177	-66.3	101.3	0	0	0	110.5	M113 R115 P166 T170 L185 F187	M113-W122 HydrophobicContact CB-CE3 4.32Å; M113-W122 HydrophobicContact CE-CB 3.93Å; M113-W122 WeakPolarHBondContact O-CZ3 3.34Å; R115-W122 HydrophobicContact CB-CD2 4.33Å; R115-W122 HydrophobicContact CB-CE3 3.85Å; R115-W122 HydrophobicContact CB-CH2 4.11Å; R115-W122 HydrophobicContact CB-CZ3 3.73Å; W122-P166 HydrophobicContact CZ2-CG 3.72Å; W122-T170 HydrophobicContact CH2-CG2 4.36Å; W122-L185 HydrophobicContact CH2-CB 4.17Å; W122-L185 HydrophobicContact CH2-CD2 4.4Å; W122-L185 HydrophobicContact CZ3-CB 4.47Å; W122-F187 HydrophobicContact CB-CE1 4.08Å; W122-F187 AromaticContact CD2-CD1 3.59Å; W122-F187 HydrophobicContact CD2-CD1 3.59Å; W122-F187 AromaticContact CD2-CE1 3.8Å; W122-F187 HydrophobicContact CD2-CE1 3.8Å; W122-F187 AromaticContact CE2-CD1 3.97Å; W122-F187 AromaticContact CE3-CD1 3.44Å; W122-F187 HydrophobicContact CE3-CD1 3.44Å; W122-F187 VanDerWaalsContact CE3-CD1 3.44Å; W122-F187 AromaticContact CE3-CE1 3.97Å; W122-F187 HydrophobicContact CE3-CE1 3.97Å; W122-F187 HydrophobicContact CG-CD1 4.18Å; W122-F187 AromaticContact CG-CE1 3.88Å; W122-F187 HydrophobicContact CG-CE1 3.88Å; W122-F187 HydrophobicContact CH2-CB 4.17Å; W122-F187 HydrophobicContact CH2-CD1 4.01Å; W122-F187 HydrophobicContact CZ2-CD1 4.17Å; W122-F187 HydrophobicContact CZ3-CB 4.24Å; W122-F187 AromaticContact CZ3-CD1 3.66Å; W122-F187 HydrophobicContact CZ3-CD1 3.66Å; W122-F187 HydrophobicContact CZ3-CG 4.44Å
123	R	85	Confident	81	Confident	95 Å²	95	54.4 Å²	54.4	36%	0.358	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	130.5	-178.8	-59	-177.8	-172.2	-178.6	-5.8	110.1	K114 N121	K114-R123 PolarHBondContact N-O 3.14Å; K114-R123 PolarHBondContact O-N 2.8Å; N121-R123 PolarHBondContact OD1-NE 3.42Å; N121-R123 PolarHBondContact OD1-NH2 2.92Å
124	R	91.9	Very high	80.7	Confident	139 Å²	139	53 Å²	53	53%	0.525	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	128.9	174.6	-152.2	-177.6	-176.8	-148.6	2.9	109.7	W111 M113	W111-R124 HydrophobicContact CD2-CG 4.31Å; W111-R124 HydrophobicContact CE3-CB 4.45Å; W111-R124 HydrophobicContact CE3-CG 3.65Å; W111-R124 HydrophobicContact CZ3-CG 4.19Å; M113-R124 WeakPolarHBondContact SD-CA 3.13Å; M113-R124 HydrophobicContact SD-CB 3.51Å; M113-R124 VanDerWaalsContact SD-CB 3.51Å; M113-R124 HydrophobicContact SD-CG 3.63Å
125	R	89.9	Confident	80.7	Confident	37 Å²	37	52.3 Å²	52.3	14%	0.14	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	141.7	-179.7	-67.5	-65.9	180	-93.2	5.2	109.5	W111 L112 F127 Y138	W111-R125 WeakPolarHBondContact CA-O 3.33Å; L112-R125 PolarHBondContact N-O 3.05Å; L112-R125 PolarHBondContact O-N 3.42Å; L112-R125 VanDerWaalsContact O-O 3.12Å; R125-F127 HydrophobicContact CB-CD2 3.96Å; R125-F127 HydrophobicContact CB-CE2 3.41Å; R125-F127 VanDerWaalsContact CB-CE2 3.41Å; R125-F127 HydrophobicContact CB-CZ 4.01Å; R125-F127 HydrophobicContact CG-CE2 4.34Å; R125-Y138 CarbonylContact C-O 3.6Å; R125-Y138 VanDerWaalsContact CA-O 3.3Å; R125-Y138 WeakPolarHBondContact CA-O 3.42Å; R125-Y138 VanDerWaalsContact CD-O 3.28Å; R125-Y138 WeakPolarHBondContact CD-O 3.48Å
126	Y	91.5	Very high	80.8	Confident	15 Å²	15	49.7 Å²	49.7	6%	0.059	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	117.2	175	-167.9	-87.9	0	0	0	107.7	E109 W111 K128 G137 Y138 Q141	E109-Y126 HydrophobicContact CB-CE1 3.83Å; E109-Y126 HydrophobicContact CG-CE1 4.28Å; E109-Y126 VanDerWaalsContact CG-OH 3.28Å; E109-Y126 WeakPolarHBondContact CG-OH 3.33Å; E109-Y126 PolarHBondContact OE1-OH 3.23Å; E109-Y126 PolarHBondContact OE2-OH 3.23Å; W111-Y126 AromaticContact CD1-CD2 4Å; W111-Y126 AromaticContact CD2-CD2 3.96Å; W111-Y126 HydrophobicContact CD2-CD2 3.96Å; W111-Y126 AromaticContact CE2-CD2 3.73Å; W111-Y126 HydrophobicContact CG-CD2 4.16Å; W111-Y126 HydrophobicContact CZ2-CD2 4.2Å; W111-Y126 AromaticContact NE1-CD2 3.72Å; Y126-K128 HydrophobicContact CD1-CG 4.44Å; Y126-K128 HydrophobicContact CE1-CG 4.17Å; Y126-G137 CarbonylContact O-C 3.56Å; Y126-G137 WeakPolarHBondContact O-CA 3.41Å; Y126-Y138 PolarHBondContact N-O 2.97Å; Y126-Y138 VanDerWaalsContact O-CD2 3.29Å; Y126-Y138 WeakPolarHBondContact O-CD2 3.38Å; Y126-Y138 PolarHBondContact O-N 3.39Å; Y126-Q141 HydrophobicContact CD1-CB 4.25Å; Y126-Q141 HydrophobicContact CD1-CG 4.07Å; Y126-Q141 HydrophobicContact CD2-CB 3.82Å; Y126-Q141 HydrophobicContact CD2-CG 4.04Å; Y126-Q141 HydrophobicContact CE1-CB 4.46Å; Y126-Q141 HydrophobicContact CE1-CG 3.8Å; Y126-Q141 HydrophobicContact CE2-CB 4.04Å; Y126-Q141 HydrophobicContact CE2-CG 3.77Å; Y126-Q141 HydrophobicContact CG-CB 3.93Å; Y126-Q141 HydrophobicContact CG-CG 4.17Å; Y126-Q141 PolarHBondContact OH-NE2 3.38Å; Y126-Q141 VanDerWaalsContact OH-NE2 3.15Å
127	F	93.3	Very high	81.7	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	144.6	179.7	-74.7	-95.6	0	0	0	112.3	E109 G110 L112 K114 R125 F135 Y136 N151 F153 F186 W197	E109-F127 CarbonylContact C-O 3.39Å; E109-F127 WeakPolarHBondContact CA-O 3.31Å; E109-F127 WeakPolarHBondContact CB-O 3.37Å; G110-F127 PolarHBondContact N-O 2.77Å; G110-F127 PolarHBondContact O-N 3.02Å; L112-F127 HydrophobicContact CB-CD2 3.63Å; L112-F127 HydrophobicContact CB-CE2 3.87Å; L112-F127 HydrophobicContact CD1-CB 4.15Å; L112-F127 HydrophobicContact CD1-CD2 3.77Å; L112-F127 HydrophobicContact CD1-CE2 4.35Å; L112-F127 HydrophobicContact CD1-CG 4.02Å; L112-F127 HydrophobicContact CG-CD2 4.03Å; K114-F127 HydrophobicContact CB-CE2 4.17Å; K114-F127 HydrophobicContact CB-CZ 4.07Å; K114-F127 HydrophobicContact CG-CZ 4.23Å; R125-F127 HydrophobicContact CB-CD2 3.96Å; R125-F127 HydrophobicContact CB-CE2 3.41Å; R125-F127 VanDerWaalsContact CB-CE2 3.41Å; R125-F127 HydrophobicContact CB-CZ 4.01Å; R125-F127 HydrophobicContact CG-CE2 4.34Å; F127-F135 HydrophobicContact CB-CD2 4.11Å; F127-F135 HydrophobicContact CB-CE2 3.43Å; F127-F135 VanDerWaalsContact CB-CE2 3.43Å; F127-F135 HydrophobicContact CB-CZ 4.05Å; F127-F135 HydrophobicContact CD1-CD2 4.15Å; F127-F135 AromaticContact CD1-CE2 3.99Å; F127-F135 HydrophobicContact CD1-CE2 3.99Å; F127-F135 HydrophobicContact CD1-CZ 4.29Å; F127-F135 HydrophobicContact CG-CE2 4.01Å; F127-F135 HydrophobicContact CG-CZ 4.3Å; F127-Y136 CarbonylContact C-O 3.13Å; F127-Y136 WeakPolarHBondContact CA-O 3.1Å; F127-N151 HydrophobicContact CE1-CB 4.03Å; F127-N151 HydrophobicContact CZ-CB 4.32Å; F127-F153 HydrophobicContact CD1-CE1 4.08Å; F127-F153 AromaticContact CE1-CE1 3.72Å; F127-F153 HydrophobicContact CE1-CE1 3.72Å; F127-F153 HydrophobicContact CE1-CZ 4.47Å; F127-F186 AromaticContact CE1-CE1 3.94Å; F127-F186 HydrophobicContact CE1-CE1 3.94Å; F127-F186 HydrophobicContact CE2-CD1 4.27Å; F127-F186 AromaticContact CE2-CE1 3.95Å; F127-F186 HydrophobicContact CE2-CE1 3.95Å; F127-F186 HydrophobicContact CZ-CD1 4.31Å; F127-F186 AromaticContact CZ-CE1 3.56Å; F127-F186 HydrophobicContact CZ-CE1 3.56Å; F127-W197 HydrophobicContact CB-CH2 4.09Å
128	K	91.9	Very high	82.8	Confident	17 Å²	17	45.4 Å²	45.4	7%	0.074	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	119.4	168.9	-66.4	-171.3	172.7	-174.1	0	109.4	V106 E109 Y126 F135 Y136 Y138 P142 D145	V106-K128 HydrophobicContact CG1-CB 4.43Å; V106-K128 HydrophobicContact CG2-CD 4.12Å; E109-K128 HydrophobicContact CB-CG 4Å; E109-K128 WeakPolarHBondContact OE2-CE 3.13Å; Y126-K128 HydrophobicContact CD1-CG 4.44Å; Y126-K128 HydrophobicContact CE1-CG 4.17Å; K128-F135 WeakPolarHBondContact O-CA 3.34Å; K128-Y136 PolarHBondContact N-O 3.4Å; K128-Y136 PolarHBondContact O-N 2.89Å; K128-Y138 HydrophobicContact CB-CE2 4.23Å; K128-Y138 HydrophobicContact CD-CE2 4.15Å; K128-Y138 HydrophobicContact CG-CE2 4.02Å; K128-P142 HydrophobicContact CD-CG 4.34Å; K128-D145 IonicContact NZ-OD1 2.67Å; K128-D145 PolarHBondContact NZ-OD1 3.43Å; K128-D145 VanDerWaalsContact NZ-OD1 3.09Å
129	L	92.1	Very high	84.3	Confident	0 Å²	0	46 Å²	46	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	126.8	168.9	176.1	68.5	0	0	0	108.7	V106 V107 K108 T134 F135 V155 W197 A200 I201 V204	V106-L129 CarbonylContact C-O 3.55Å; V107-L129 HydrophobicContact CB-CD2 4.48Å; V107-L129 HydrophobicContact CB-CG 4.44Å; V107-L129 HydrophobicContact CG1-CD2 4.47Å; V107-L129 PolarHBondContact N-O 3.02Å; K108-L129 HydrophobicContact CB-CB 4.3Å; K108-L129 HydrophobicContact CB-CD2 4.4Å; K108-L129 PolarHBondContact N-O 2.87Å; K108-L129 PolarHBondContact O-N 2.94Å; L129-T134 CarbonylContact C-O 3.5Å; L129-T134 WeakPolarHBondContact CA-O 3.43Å; L129-F135 HydrophobicContact CB-CD2 3.77Å; L129-F135 HydrophobicContact CB-CE2 4.04Å; L129-F135 HydrophobicContact CB-CG 4.41Å; L129-F135 HydrophobicContact CD1-CB 3.98Å; L129-F135 HydrophobicContact CD1-CD2 4.25Å; L129-F135 HydrophobicContact CD1-CG 4.05Å; L129-V155 HydrophobicContact CD1-CG1 4.02Å; L129-V155 HydrophobicContact CD1-CG2 3.87Å; L129-W197 HydrophobicContact CB-CZ3 4.42Å; L129-A200 HydrophobicContact CD2-CB 3.91Å; L129-I201 HydrophobicContact CD2-CB 4.47Å; L129-I201 HydrophobicContact CD2-CG1 3.97Å; L129-V204 HydrophobicContact CD1-CB 4.4Å; L129-V204 HydrophobicContact CD1-CG1 4.33Å; L129-V204 HydrophobicContact CD1-CG2 4.34Å; L129-V204 HydrophobicContact CD2-CB 4.41Å; L129-V204 HydrophobicContact CD2-CG2 3.84Å; L129-V204 HydrophobicContact CG-CG2 4.03Å
130	R	88.9	Confident	85.8	Confident	0 Å²	0	47 Å²	47	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	166	-178.9	-64.2	-176.8	-177.2	-98.3	-3.2	112.1	T103 V106 D132 G133 T134 D145 V204	T103-R130 PolarHBondContact O-NH1 3.35Å; V106-R130 HydrophobicContact CG2-CG 4.48Å; R130-D132 VanDerWaalsContact C-N 3.3Å; R130-D132 WeakPolarHBondContact CB-OD1 3.4Å; R130-D132 PolarHBondContact O-N 3.37Å; R130-G133 PolarHBondContact O-N 2.95Å; R130-T134 PolarHBondContact N-O 3.36Å; R130-D145 IonicContact CZ-OD1 3.09Å; R130-D145 IonicContact CZ-OD2 2.91Å; R130-D145 IonicContact NH1-OD1 3.14Å; R130-D145 IonicContact NH1-OD2 2.75Å; R130-D145 PolarHBondContact NH1-OD2 3.13Å; R130-D145 IonicContact NH2-OD1 3.94Å; R130-D145 PolarHBondContact NH2-OD1 2.9Å; R130-D145 IonicContact NH2-OD2 3.79Å; R130-D145 PolarHBondContact NH2-OD2 3.37Å; R130-V204 WeakPolarHBondContact O-CG1 3.46Å
131	E	87.4	Confident	86.6	Confident	66 Å²	66	45 Å²	45	31%	0.308	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-30.6	-177.3	-65.8	-165.6	123.9	0	0	113.8	T103 N105 V107 G133 R207	T103-E131 HydrophobicContact CG2-CB 4.42Å; T103-E131 PolarHBondContact OG1-N 2.87Å; N105-E131 HydrophobicContact CB-CG 3.96Å; N105-E131 VanDerWaalsContact CB-OE2 3.27Å; N105-E131 WeakPolarHBondContact CB-OE2 3.25Å; N105-E131 PolarHBondContact ND2-OE2 2.64Å; N105-E131 PolarHBondContact O-N 2.68Å; V107-E131 HydrophobicContact CG2-CB 4.32Å; V107-E131 HydrophobicContact CG2-CG 3.43Å; V107-E131 VanDerWaalsContact CG2-CG 3.43Å; E131-G133 PolarHBondContact O-N 3.32Å; E131-R207 IonicContact OE1-CZ 3.94Å; E131-R207 IonicContact OE1-NH1 2.81Å; E131-R207 PolarHBondContact OE1-NH1 3.36Å; E131-R207 VanDerWaalsContact OE1-NH1 3.14Å; E131-R207 IonicContact OE1-NH2 2.98Å
132	D	81.4	Confident	86.9	Confident	39 Å²	39	42.5 Å²	42.5	21%	0.209	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-3.9	176.5	58.5	16.2	0	0	0	114.7	T103 R130 T134	T103-D132 HydrophobicContact CG2-CB 3.98Å; T103-D132 PolarHBondContact N-OD2 3.2Å; T103-D132 PolarHBondContact OG1-N 2.87Å; R130-D132 VanDerWaalsContact C-N 3.3Å; R130-D132 WeakPolarHBondContact CB-OD1 3.4Å; R130-D132 PolarHBondContact O-N 3.37Å; D132-T134 WeakPolarHBondContact OD1-CB 3Å; D132-T134 PolarHBondContact OD1-N 2.87Å; D132-T134 PolarHBondContact OD1-OG1 3.37Å; D132-T134 PolarHBondContact OD2-OG1 2.87Å
133	G	85.4	Confident	86.4	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	96.4	-2.1	-177.9	0	0	0	0	0	113.8	R130 E131 F135 T154 V155	R130-G133 PolarHBondContact O-N 2.95Å; E131-G133 PolarHBondContact O-N 3.32Å; G133-F135 PolarHBondContact O-N 3.21Å; G133-T154 CarbonylContact O-C 3.49Å; G133-T154 VanDerWaalsContact O-CA 3.32Å; G133-T154 WeakPolarHBondContact O-CA 3.49Å; G133-V155 WeakPolarHBondContact O-CG2 3.46Å; G133-V155 PolarHBondContact O-N 3.24Å
134	T	85.4	Confident	85.9	Confident	17 Å²	17	49.9 Å²	49.9	10%	0.104	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	126.8	178	-57.5	0	0	0	0	110.6	L102 L129 R130 D132 Y136	L102-T134 HydrophobicContact CD2-CG2 4.05Å; L129-T134 CarbonylContact C-O 3.5Å; L129-T134 WeakPolarHBondContact CA-O 3.43Å; R130-T134 PolarHBondContact N-O 3.36Å; D132-T134 WeakPolarHBondContact OD1-CB 3Å; D132-T134 PolarHBondContact OD1-N 2.87Å; D132-T134 PolarHBondContact OD1-OG1 3.37Å; D132-T134 PolarHBondContact OD2-OG1 2.87Å; T134-Y136 HydrophobicContact CG2-CD1 3.27Å; T134-Y136 HydrophobicContact CG2-CD2 3.5Å; T134-Y136 HydrophobicContact CG2-CE1 3.14Å; T134-Y136 HydrophobicContact CG2-CE2 3.34Å; T134-Y136 HydrophobicContact CG2-CG 3.47Å; T134-Y136 VanDerWaalsContact CG2-CG 3.47Å
135	F	90	Very high	84.6	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	98.5	174.4	-164.4	-166.6	0	0	0	110	L112 F127 K128 L129 G133 F153 V155 I173 W197 I201	L112-F135 HydrophobicContact CD1-CE2 4.45Å; L112-F135 HydrophobicContact CD1-CZ 3.67Å; F127-F135 HydrophobicContact CB-CD2 4.11Å; F127-F135 HydrophobicContact CB-CE2 3.43Å; F127-F135 VanDerWaalsContact CB-CE2 3.43Å; F127-F135 HydrophobicContact CB-CZ 4.05Å; F127-F135 HydrophobicContact CD1-CD2 4.15Å; F127-F135 AromaticContact CD1-CE2 3.99Å; F127-F135 HydrophobicContact CD1-CE2 3.99Å; F127-F135 HydrophobicContact CD1-CZ 4.29Å; F127-F135 HydrophobicContact CG-CE2 4.01Å; F127-F135 HydrophobicContact CG-CZ 4.3Å; K128-F135 WeakPolarHBondContact O-CA 3.34Å; L129-F135 HydrophobicContact CB-CD2 3.77Å; L129-F135 HydrophobicContact CB-CE2 4.04Å; L129-F135 HydrophobicContact CB-CG 4.41Å; L129-F135 HydrophobicContact CD1-CB 3.98Å; L129-F135 HydrophobicContact CD1-CD2 4.25Å; L129-F135 HydrophobicContact CD1-CG 4.05Å; G133-F135 PolarHBondContact O-N 3.21Å; F135-F153 HydrophobicContact CB-CD1 4.38Å; F135-F153 HydrophobicContact CB-CD2 4Å; F135-F153 HydrophobicContact CB-CE1 3.98Å; F135-F153 HydrophobicContact CB-CE2 3.64Å; F135-F153 HydrophobicContact CB-CG 4.41Å; F135-F153 HydrophobicContact CB-CZ 3.64Å; F135-F153 HydrophobicContact CD1-CD2 4.22Å; F135-F153 AromaticContact CD1-CE1 3.86Å; F135-F153 HydrophobicContact CD1-CE1 3.86Å; F135-F153 AromaticContact CD1-CE2 3.08Å; F135-F153 HydrophobicContact CD1-CE2 3.08Å; F135-F153 AromaticContact CD1-CZ 2.86Å; F135-F153 HydrophobicContact CD1-CZ 2.86Å; F135-F153 HydrophobicContact CD2-CZ 4.31Å; F135-F153 HydrophobicContact CE1-CE1 4.41Å; F135-F153 AromaticContact CE1-CE2 3.89Å; F135-F153 HydrophobicContact CE1-CE2 3.89Å; F135-F153 AromaticContact CE1-CZ 3.38Å; F135-F153 HydrophobicContact CE1-CZ 3.38Å; F135-F153 AromaticContact CG-CE1 3.9Å; F135-F153 HydrophobicContact CG-CE1 3.9Å; F135-F153 AromaticContact CG-CE2 3.69Å; F135-F153 HydrophobicContact CG-CE2 3.69Å; F135-F153 AromaticContact CG-CZ 3.33Å; F135-F153 HydrophobicContact CG-CZ 3.33Å; F135-F153 HydrophobicContact CZ-CZ 4.33Å; F135-F153 PolarHBondContact N-O 3.33Å; F135-F153 WeakPolarHBondContact O-CD1 3.41Å; F135-F153 WeakPolarHBondContact O-CE1 3.04Å; F135-F153 PolarHBondContact O-N 2.58Å; F135-V155 HydrophobicContact CB-CG1 3.81Å; F135-V155 HydrophobicContact CD1-CG1 3.84Å; F135-V155 HydrophobicContact CG-CG1 4.23Å; F135-I173 HydrophobicContact CD1-CD1 3.89Å; F135-I173 HydrophobicContact CE1-CD1 3.64Å; F135-W197 HydrophobicContact CE2-CE3 4.11Å; F135-W197 AromaticContact CE2-CH2 3.94Å; F135-W197 HydrophobicContact CE2-CH2 3.94Å; F135-W197 AromaticContact CE2-CZ3 3.37Å; F135-W197 HydrophobicContact CE2-CZ3 3.37Å; F135-W197 AromaticContact CZ-CE3 3.82Å; F135-W197 HydrophobicContact CZ-CE3 3.82Å; F135-W197 HydrophobicContact CZ-CH2 4.26Å; F135-W197 AromaticContact CZ-CZ3 3.55Å; F135-W197 HydrophobicContact CZ-CZ3 3.55Å; F135-I201 HydrophobicContact CD1-CD1 4.41Å; F135-I201 HydrophobicContact CD1-CG1 4.4Å; F135-I201 HydrophobicContact CE1-CD1 3.72Å; F135-I201 HydrophobicContact CE1-CG1 4.1Å; F135-I201 HydrophobicContact CZ-CD1 4.23Å
136	Y	87.8	Confident	83.2	Confident	21 Å²	21	50.5 Å²	50.5	8%	0.082	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.6	-167.6	-79.2	-1.8	0	0	0	112.2	L102 F127 K128 T134 Y138 P149 N151 N152	L102-Y136 HydrophobicContact CD2-CE2 3.97Å; F127-Y136 CarbonylContact C-O 3.13Å; F127-Y136 WeakPolarHBondContact CA-O 3.1Å; K128-Y136 PolarHBondContact N-O 3.4Å; K128-Y136 PolarHBondContact O-N 2.89Å; T134-Y136 HydrophobicContact CG2-CD1 3.27Å; T134-Y136 HydrophobicContact CG2-CD2 3.5Å; T134-Y136 HydrophobicContact CG2-CE1 3.14Å; T134-Y136 HydrophobicContact CG2-CE2 3.34Å; T134-Y136 HydrophobicContact CG2-CG 3.47Å; T134-Y136 VanDerWaalsContact CG2-CG 3.47Å; Y136-Y138 WeakPolarHBondContact O-CE2 3.38Å; Y136-P149 HydrophobicContact CD1-CB 4.44Å; Y136-P149 HydrophobicContact CD1-CG 4.36Å; Y136-P149 HydrophobicContact CD2-CB 3.96Å; Y136-P149 HydrophobicContact CD2-CG 3.63Å; Y136-P149 HydrophobicContact CE2-CG 3.92Å; Y136-P149 HydrophobicContact CG-CB 3.81Å; Y136-P149 HydrophobicContact CG-CG 3.87Å; Y136-N151 CarbonylContact C-O 3.51Å; Y136-N151 VanDerWaalsContact CA-O 3.24Å; Y136-N151 WeakPolarHBondContact CA-O 3.35Å; Y136-N152 HydrophobicContact CD1-CB 3.95Å; Y136-N152 HydrophobicContact CE1-CB 3.55Å
137	G	85.7	Confident	81.8	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	133	179.7	0	0	0	0	0	112.9	Y126 P149 L150 N151	Y126-G137 CarbonylContact O-C 3.56Å; Y126-G137 WeakPolarHBondContact O-CA 3.41Å; G137-P149 CarbonylContact O-C 3.59Å; G137-L150 PolarHBondContact O-N 3.42Å; G137-N151 PolarHBondContact N-O 3.49Å; G137-N151 PolarHBondContact O-N 3.25Å
138	Y	85.1	Confident	80.4	Confident	8 Å²	8	55.5 Å²	55.5	3%	0.031	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	150.9	-176.8	-53.2	-89	0	0	0	110.7	R125 Y126 K128 Y136 I140 P142 A147 P149	R125-Y138 CarbonylContact C-O 3.6Å; R125-Y138 VanDerWaalsContact CA-O 3.3Å; R125-Y138 WeakPolarHBondContact CA-O 3.42Å; R125-Y138 VanDerWaalsContact CD-O 3.28Å; R125-Y138 WeakPolarHBondContact CD-O 3.48Å; Y126-Y138 PolarHBondContact N-O 2.97Å; Y126-Y138 VanDerWaalsContact O-CD2 3.29Å; Y126-Y138 WeakPolarHBondContact O-CD2 3.38Å; Y126-Y138 PolarHBondContact O-N 3.39Å; K128-Y138 HydrophobicContact CB-CE2 4.23Å; K128-Y138 HydrophobicContact CD-CE2 4.15Å; K128-Y138 HydrophobicContact CG-CE2 4.02Å; Y136-Y138 WeakPolarHBondContact O-CE2 3.38Å; Y138-I140 VanDerWaalsContact C-N 3.27Å; Y138-I140 WeakPolarHBondContact CB-O 3.4Å; Y138-I140 PolarHBondContact O-N 2.85Å; Y138-P142 HydrophobicContact CD1-CB 4.19Å; Y138-P142 HydrophobicContact CD1-CG 4.12Å; Y138-P142 HydrophobicContact CD2-CG 3.82Å; Y138-P142 HydrophobicContact CE1-CB 4.41Å; Y138-P142 HydrophobicContact CE1-CG 4.25Å; Y138-P142 HydrophobicContact CE2-CG 3.99Å; Y138-P142 HydrophobicContact CG-CB 4.35Å; Y138-P142 HydrophobicContact CG-CG 3.92Å; Y138-A147 HydrophobicContact CD1-CB 4.44Å; Y138-A147 HydrophobicContact CE1-CB 4.38Å; Y138-A147 WeakPolarHBondContact CE1-O 3.5Å; Y138-P149 HydrophobicContact CD1-CB 4.17Å; Y138-P149 HydrophobicContact CE1-CB 3.67Å; Y138-P149 HydrophobicContact CE1-CG 4.48Å
139	K	80	Confident	79.2	Confident	143 Å²	143	55.7 Å²	55.7	62%	0.622	27%	0.274	S	S	*	.	S	Bend	trans	-62.1	-40.4	175.1	-162.3	174.8	176.6	-179.6	0	111.4	L150	K139-L150 HydrophobicContact CB-CD1 3.56Å; K139-L150 HydrophobicContact CD-CD1 4.46Å; K139-L150 HydrophobicContact CG-CD1 4.21Å
140	I	81.3	Confident	77.9	Confident	124 Å²	124	59.2 Å²	59.2	64%	0.636	29%	0.293	S	S	*	.	S	Bend	trans	-133.3	152.6	-176.7	-49.1	172.3	0	0	0	105.9	Y138 P142	Y138-I140 VanDerWaalsContact C-N 3.27Å; Y138-I140 WeakPolarHBondContact CB-O 3.4Å; Y138-I140 PolarHBondContact O-N 2.85Å; I140-P142 WeakPolarHBondContact O-CD 3.35Å; I140-P142 VanDerWaalsContact O-N 3.15Å
141	Q	87.4	Confident	76.8	Confident	101 Å²	101	60.2 Å²	60.2	47%	0.472	30%	0.298	S	S	.	.			trans	-55.2	120	172.9	-176.9	172.8	7.2	0	0	109.8	Y126	Y126-Q141 HydrophobicContact CD1-CB 4.25Å; Y126-Q141 HydrophobicContact CD1-CG 4.07Å; Y126-Q141 HydrophobicContact CD2-CB 3.82Å; Y126-Q141 HydrophobicContact CD2-CG 4.04Å; Y126-Q141 HydrophobicContact CE1-CB 4.46Å; Y126-Q141 HydrophobicContact CE1-CG 3.8Å; Y126-Q141 HydrophobicContact CE2-CB 4.04Å; Y126-Q141 HydrophobicContact CE2-CG 3.77Å; Y126-Q141 HydrophobicContact CG-CB 3.93Å; Y126-Q141 HydrophobicContact CG-CG 4.17Å; Y126-Q141 PolarHBondContact OH-NE2 3.38Å; Y126-Q141 VanDerWaalsContact OH-NE2 3.15Å
142	P	80.8	Confident	76.1	Confident	17 Å²	17	60.8 Å²	60.8	11%	0.11	30%	0.303	C	S	.	.			trans	-72.6	139.6	-176.1	31.4	-36.3	0	0	0	110.5	K128 Y138 I140 D144 A147	K128-P142 HydrophobicContact CD-CG 4.34Å; Y138-P142 HydrophobicContact CD1-CB 4.19Å; Y138-P142 HydrophobicContact CD1-CG 4.12Å; Y138-P142 HydrophobicContact CD2-CG 3.82Å; Y138-P142 HydrophobicContact CE1-CB 4.41Å; Y138-P142 HydrophobicContact CE1-CG 4.25Å; Y138-P142 HydrophobicContact CE2-CG 3.99Å; Y138-P142 HydrophobicContact CG-CB 4.35Å; Y138-P142 HydrophobicContact CG-CG 3.92Å; I140-P142 WeakPolarHBondContact O-CD 3.35Å; I140-P142 VanDerWaalsContact O-N 3.15Å; P142-D144 WeakPolarHBondContact CB-O 2.94Å; P142-A147 HydrophobicContact CB-CB 3.32Å
143	K	73.1	Confident	75.9	Confident	214 Å²	214	59.6 Å²	59.6	93%	0.93	30%	0.296	S	S	*	.	S	Bend	trans	-75.9	-26.9	179.6	-68.7	-175.5	178.7	179.9	0	112.8
144	D	73.3	Confident	75.7	Confident	89 Å²	89	62.1 Å²	62.1	48%	0.476	31%	0.311	S	S	.	.	S	Bend	trans	-139.8	174.5	177.4	57.1	44.3	0	0	0	110.1	P142 M146 A147	P142-D144 WeakPolarHBondContact CB-O 2.94Å; D144-M146 PolarHBondContact O-N 3.44Å; D144-M146 WeakPolarHBondContact OD1-CA 3.05Å; D144-M146 WeakPolarHBondContact OD1-CB 3.41Å; D144-M146 PolarHBondContact OD1-N 2.81Å; D144-A147 PolarHBondContact OD1-N 3.22Å
145	D	65.9	Low	75.7	Confident	53 Å²	53	61.3 Å²	61.3	28%	0.283	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	0.3	176.9	-81.3	-6.7	0	0	0	113.3	K128 R130	K128-D145 IonicContact NZ-OD1 2.67Å; K128-D145 PolarHBondContact NZ-OD1 3.43Å; K128-D145 VanDerWaalsContact NZ-OD1 3.09Å; R130-D145 IonicContact CZ-OD1 3.09Å; R130-D145 IonicContact CZ-OD2 2.91Å; R130-D145 IonicContact NH1-OD1 3.14Å; R130-D145 IonicContact NH1-OD2 2.75Å; R130-D145 PolarHBondContact NH1-OD2 3.13Å; R130-D145 IonicContact NH2-OD1 3.94Å; R130-D145 PolarHBondContact NH2-OD1 2.9Å; R130-D145 IonicContact NH2-OD2 3.79Å; R130-D145 PolarHBondContact NH2-OD2 3.37Å
146	M	60.1	Low	75.2	Confident	136 Å²	136	67.2 Å²	67.2	67%	0.67	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-14.4	178.9	-53.8	-62.2	-97.9	0	0	111.9	D144 Q148	D144-M146 PolarHBondContact O-N 3.44Å; D144-M146 WeakPolarHBondContact OD1-CA 3.05Å; D144-M146 WeakPolarHBondContact OD1-CB 3.41Å; D144-M146 PolarHBondContact OD1-N 2.81Å; M146-Q148 PolarHBondContact O-N 3.42Å
147	A	61	Low	74.7	Confident	34 Å²	34	69.6 Å²	69.6	28%	0.281	34%	0.343	S	S	.	.	S	Bend	trans	-56.5	130.3	173.3	0	0	0	0	0	110.8	Y138 P142 D144	Y138-A147 HydrophobicContact CD1-CB 4.44Å; Y138-A147 HydrophobicContact CE1-CB 4.38Å; Y138-A147 WeakPolarHBondContact CE1-O 3.5Å; P142-A147 HydrophobicContact CB-CB 3.32Å; D144-A147 PolarHBondContact OD1-N 3.22Å
148	Q	63.9	Low	74.6	Confident	87 Å²	87	69.8 Å²	69.8	41%	0.407	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-76.8	129	-179.8	-76.6	168.2	-15.9	0	0	111.1	M146 Y394 Y395	M146-Q148 PolarHBondContact O-N 3.42Å; Q148-Y394 HydrophobicContact CB-CD2 4.45Å; Q148-Y394 HydrophobicContact CB-CE2 4.01Å; Q148-Y394 VanDerWaalsContact CD-CD2 3.48Å; Q148-Y394 HydrophobicContact CG-CD2 4.45Å; Q148-Y394 HydrophobicContact CG-CE2 4.45Å; Q148-Y395 PolarHBondContact OE1-O 3.12Å
149	P	68.1	Low	74.4	Confident	21 Å²	21	73.9 Å²	73.9	14%	0.136	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-72.8	139.7	177.6	31.6	-36.3	0	0	0	111.3	Y136 G137 Y138 N151	Y136-P149 HydrophobicContact CD1-CB 4.44Å; Y136-P149 HydrophobicContact CD1-CG 4.36Å; Y136-P149 HydrophobicContact CD2-CB 3.96Å; Y136-P149 HydrophobicContact CD2-CG 3.63Å; Y136-P149 HydrophobicContact CE2-CG 3.92Å; Y136-P149 HydrophobicContact CG-CB 3.81Å; Y136-P149 HydrophobicContact CG-CG 3.87Å; G137-P149 CarbonylContact O-C 3.59Å; Y138-P149 HydrophobicContact CD1-CB 4.17Å; Y138-P149 HydrophobicContact CE1-CB 3.67Å; Y138-P149 HydrophobicContact CE1-CG 4.48Å; P149-N151 VanDerWaalsContact C-N 3.32Å
150	L	63.7	Low	74.6	Confident	74 Å²	74	67 Å²	67	39%	0.387	33%	0.334	S	S	.	.	S	Bend	trans	-81.7	-14.9	169.8	-77.3	178.7	0	0	0	112.9	G137 K139 Y394	G137-L150 PolarHBondContact O-N 3.42Å; K139-L150 HydrophobicContact CB-CD1 3.56Å; K139-L150 HydrophobicContact CD-CD1 4.46Å; K139-L150 HydrophobicContact CG-CD1 4.21Å; L150-Y394 WeakPolarHBondContact CD2-OH 3.45Å
151	N	66.3	Low	74.9	Confident	21 Å²	21	61.9 Å²	61.9	11%	0.112	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	118.5	177.7	-60.4	116.7	0	0	0	108.1	K114 F127 Y136 G137 P149	K114-N151 PolarHBondContact NZ-ND2 3.48Å; F127-N151 HydrophobicContact CE1-CB 4.03Å; F127-N151 HydrophobicContact CZ-CB 4.32Å; Y136-N151 CarbonylContact C-O 3.51Å; Y136-N151 VanDerWaalsContact CA-O 3.24Å; Y136-N151 WeakPolarHBondContact CA-O 3.35Å; G137-N151 PolarHBondContact N-O 3.49Å; G137-N151 PolarHBondContact O-N 3.25Å; P149-N151 VanDerWaalsContact C-N 3.32Å
152	N	73.6	Confident	74.9	Confident	77 Å²	77	57.4 Å²	57.4	41%	0.412	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	115.1	-177.6	55	-24.5	0	0	0	109.7	Y136	Y136-N152 HydrophobicContact CD1-CB 3.95Å; Y136-N152 HydrophobicContact CE1-CB 3.55Å
153	F	76.9	Confident	75.1	Confident	14 Å²	14	57.9 Å²	57.9	6%	0.061	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	162.6	173.3	65.8	-80	0	0	0	110.8	F127 F135 V155 I173 F186	F127-F153 HydrophobicContact CD1-CE1 4.08Å; F127-F153 AromaticContact CE1-CE1 3.72Å; F127-F153 HydrophobicContact CE1-CE1 3.72Å; F127-F153 HydrophobicContact CE1-CZ 4.47Å; F135-F153 HydrophobicContact CB-CD1 4.38Å; F135-F153 HydrophobicContact CB-CD2 4Å; F135-F153 HydrophobicContact CB-CE1 3.98Å; F135-F153 HydrophobicContact CB-CE2 3.64Å; F135-F153 HydrophobicContact CB-CG 4.41Å; F135-F153 HydrophobicContact CB-CZ 3.64Å; F135-F153 HydrophobicContact CD1-CD2 4.22Å; F135-F153 AromaticContact CD1-CE1 3.86Å; F135-F153 HydrophobicContact CD1-CE1 3.86Å; F135-F153 AromaticContact CD1-CE2 3.08Å; F135-F153 HydrophobicContact CD1-CE2 3.08Å; F135-F153 AromaticContact CD1-CZ 2.86Å; F135-F153 HydrophobicContact CD1-CZ 2.86Å; F135-F153 HydrophobicContact CD2-CZ 4.31Å; F135-F153 HydrophobicContact CE1-CE1 4.41Å; F135-F153 AromaticContact CE1-CE2 3.89Å; F135-F153 HydrophobicContact CE1-CE2 3.89Å; F135-F153 AromaticContact CE1-CZ 3.38Å; F135-F153 HydrophobicContact CE1-CZ 3.38Å; F135-F153 AromaticContact CG-CE1 3.9Å; F135-F153 HydrophobicContact CG-CE1 3.9Å; F135-F153 AromaticContact CG-CE2 3.69Å; F135-F153 HydrophobicContact CG-CE2 3.69Å; F135-F153 AromaticContact CG-CZ 3.33Å; F135-F153 HydrophobicContact CG-CZ 3.33Å; F135-F153 HydrophobicContact CZ-CZ 4.33Å; F135-F153 PolarHBondContact N-O 3.33Å; F135-F153 WeakPolarHBondContact O-CD1 3.41Å; F135-F153 WeakPolarHBondContact O-CE1 3.04Å; F135-F153 PolarHBondContact O-N 2.58Å; F153-V155 HydrophobicContact CE2-CG1 4.23Å; F153-I173 HydrophobicContact CE2-CD1 3.78Å; F153-I173 HydrophobicContact CE2-CG2 4.36Å; F153-I173 HydrophobicContact CZ-CD1 4.17Å; F153-F186 AromaticContact CE1-CZ 3.88Å; F153-F186 HydrophobicContact CE1-CZ 3.88Å; F153-F186 HydrophobicContact CE2-CZ 4.31Å; F153-F186 HydrophobicContact CZ-CE1 4.32Å; F153-F186 HydrophobicContact CZ-CE2 4.09Å; F153-F186 AromaticContact CZ-CZ 3.46Å; F153-F186 HydrophobicContact CZ-CZ 3.46Å; F153-F186 VanDerWaalsContact CZ-CZ 3.46Å
154	T	80.9	Confident	75.6	Confident	53 Å²	53	51.9 Å²	51.9	33%	0.325	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	145.5	175.1	-178.6	0	0	0	0	110.2	G133 R156	G133-T154 CarbonylContact O-C 3.49Å; G133-T154 VanDerWaalsContact O-CA 3.32Å; G133-T154 WeakPolarHBondContact O-CA 3.49Å; T154-R156 WeakPolarHBondContact OG1-CB 3.4Å; T154-R156 PolarHBondContact OG1-N 3.44Å; T154-R156 VanDerWaalsContact OG1-N 3.12Å
155	V	85.2	Confident	75.8	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.273	C	S	.	.			trans	-95.8	2.9	171.1	-56.1	0	0	0	0	112.3	L129 G133 F135 F153 D157 C158 I201 V204 A205	L129-V155 HydrophobicContact CD1-CG1 4.02Å; L129-V155 HydrophobicContact CD1-CG2 3.87Å; G133-V155 WeakPolarHBondContact O-CG2 3.46Å; G133-V155 PolarHBondContact O-N 3.24Å; F135-V155 HydrophobicContact CB-CG1 3.81Å; F135-V155 HydrophobicContact CD1-CG1 3.84Å; F135-V155 HydrophobicContact CG-CG1 4.23Å; F153-V155 HydrophobicContact CE2-CG1 4.23Å; V155-D157 PolarHBondContact O-N 3.37Å; V155-C158 PolarHBondContact O-N 2.94Å; V155-C158 PolarHBondContact O-SG 3.38Å; V155-I201 HydrophobicContact CB-CG2 4.01Å; V155-I201 HydrophobicContact CG1-CG2 3.8Å; V155-V204 HydrophobicContact CG2-CB 4.1Å; V155-V204 HydrophobicContact CG2-CG1 3.6Å; V155-A205 VanDerWaalsContact O-CB 3.25Å; V155-A205 WeakPolarHBondContact O-CB 3.32Å
156	R	79.8	Confident	76.4	Confident	124 Å²	124	55.4 Å²	55.4	47%	0.468	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	132.5	171.5	-172.1	-179.9	-67.6	177	-0.3	109.1	T154 C158 L208	T154-R156 WeakPolarHBondContact OG1-CB 3.4Å; T154-R156 PolarHBondContact OG1-N 3.44Å; T154-R156 VanDerWaalsContact OG1-N 3.12Å; R156-C158 PolarHBondContact O-N 3.35Å; R156-L208 HydrophobicContact CB-CD1 4.43Å; R156-L208 HydrophobicContact CG-CB 4.38Å
157	D	77.5	Confident	77.5	Confident	72 Å²	72	52.9 Å²	52.9	39%	0.385	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	28.3	-179.7	-53	-41.1	0	0	0	114.5	V155	V155-D157 PolarHBondContact O-N 3.37Å
158	C	82	Confident	78.8	Confident	3 Å²	3	55 Å²	55	2%	0.02	28%	0.279	C	S	.	.			trans	-81.9	150.4	175.3	76.7	0	0	0	0	112	V155 R156 I173 R174 V216	V155-C158 PolarHBondContact O-N 2.94Å; V155-C158 PolarHBondContact O-SG 3.38Å; R156-C158 PolarHBondContact O-N 3.35Å; C158-I173 HydrophobicContact CB-CG2 3.77Å; C158-R174 CarbonylContact C-O 3.52Å; C158-R174 VanDerWaalsContact CA-O 3.26Å; C158-R174 WeakPolarHBondContact CA-O 3.37Å; C158-V216 WeakPolarHBondContact O-CG1 3.16Å; C158-V216 WeakPolarHBondContact O-CG2 3.22Å
159	Q	82	Confident	80.1	Confident	94 Å²	94	54.5 Å²	54.5	44%	0.439	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	140.7	163	-64.2	177.6	-6.6	0	0	108.4	R174	Q159-R174 HydrophobicContact CB-CB 4.24Å; Q159-R174 PolarHBondContact N-O 2.89Å; Q159-R174 PolarHBondContact O-N 3.42Å
160	I	84.8	Confident	81.1	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.6	-179.4	-45.2	172.1	0	0	0	108.9	L172 L198 I201 Q202 V216 H219	I160-L172 WeakPolarHBondContact CA-O 3.43Å; I160-L198 HydrophobicContact CG2-CD2 3.23Å; I160-I201 HydrophobicContact CD1-CB 4.11Å; I160-I201 HydrophobicContact CD1-CG2 3.56Å; I160-I201 HydrophobicContact CG1-CG2 4.29Å; I160-Q202 HydrophobicContact CD1-CB 4.13Å; I160-V216 HydrophobicContact CD1-CG1 4.48Å; I160-V216 HydrophobicContact CG1-CG1 4.31Å; I160-H219 PolarHBondContact O-N 3.34Å; I160-H219 VanDerWaalsContact O-N 3.11Å
161	I	86.2	Confident	82.5	Confident	15 Å²	15	50 Å²	50	8%	0.077	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	122.4	-176	-52.6	-178.5	0	0	0	109.1	L163 F171 L172 L221	I161-L163 HydrophobicContact CG2-CD2 3.82Å; I161-L163 HydrophobicContact CG2-CG 4.14Å; I161-F171 CarbonylContact O-C 3.4Å; I161-F171 WeakPolarHBondContact O-CA 3.24Å; I161-L172 HydrophobicContact CB-CB 4.26Å; I161-L172 HydrophobicContact CD1-CD2 4.1Å; I161-L172 HydrophobicContact CG1-CD2 4.36Å; I161-L172 PolarHBondContact N-O 2.74Å; I161-L172 PolarHBondContact O-N 2.79Å; I161-L221 HydrophobicContact CG2-CD1 3.74Å; I161-L221 HydrophobicContact CG2-CG 4.48Å
162	C	87.7	Confident	83.5	Confident	8 Å²	8	49.6 Å²	49.6	5%	0.054	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	127.9	174	-69.3	0	0	0	0	110.2	L198 V218 H219 N220	C162-L198 WeakPolarHBondContact SG-CD1 3.44Å; C162-V218 WeakPolarHBondContact SG-CG1 3.26Å; C162-H219 PolarHBondContact N-O 3.16Å; C162-N220 WeakPolarHBondContact CB-OD1 3.13Å
163	L	85.3	Confident	84.2	Confident	26 Å²	26	46 Å²	46	14%	0.136	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	152.2	-178.3	-58.9	173.2	0	0	0	110.2	I161 T170 L172 R194	I161-L163 HydrophobicContact CG2-CD2 3.82Å; I161-L163 HydrophobicContact CG2-CG 4.14Å; L163-T170 CarbonylContact C-O 3.12Å; L163-T170 HydrophobicContact CB-CG2 4.04Å; L163-T170 HydrophobicContact CD1-CG2 4.32Å; L163-T170 PolarHBondContact N-O 3.46Å; L163-T170 CarbonylContact O-C 3.46Å; L163-T170 WeakPolarHBondContact O-CA 3.43Å; L163-T170 PolarHBondContact O-N 3.02Å; L163-L172 HydrophobicContact CD1-CB 3.93Å; L163-L172 HydrophobicContact CD1-CD1 4.26Å; L163-R194 PolarHBondContact O-NH1 3.1Å
164	N	82.5	Confident	84.4	Confident	89 Å²	89	49.4 Å²	49.4	48%	0.476	24%	0.241	S	C	.	.			trans	-116.8	13.3	168.8	-68.3	-40.9	0	0	0	112	K167 Y169 R194	N164-K167 CarbonylContact C-O 3.54Å; N164-K167 CarbonylContact O-C 3.38Å; N164-Y169 PolarHBondContact OD1-N 2.83Å; N164-R194 PolarHBondContact OD1-NH1 2.85Å
165	K	77.6	Confident	83.8	Confident	138 Å²	138	47.4 Å²	47.4	60%	0.6	23%	0.23	S	C	*	.	S	Bend	trans	-131.1	146.7	173.3	-67.9	-170.5	-177.8	175.9	0	109.8	K167 L223	K165-K167 VanDerWaalsContact C-N 3.31Å; K165-K167 PolarHBondContact N-O 2.97Å; K165-L223 HydrophobicContact CB-CD1 4.22Å; K165-L223 HydrophobicContact CD-CD1 4.04Å; K165-L223 HydrophobicContact CG-CD1 4.39Å
166	P	79.6	Confident	82.3	Confident	77 Å²	77	51.8 Å²	51.8	50%	0.5	25%	0.253	S	S	.	.	S	Bend	cis	-79	-7.3	1.6	35.2	-37	0	0	0	113.5	W122	W122-P166 HydrophobicContact CZ2-CG 3.72Å
167	K	84	Confident	81	Confident	84 Å²	84	48.9 Å²	48.9	37%	0.365	25%	0.245	S	C	.	.	S	Bend	trans	-125.1	154	173	-73.7	-178.6	172	-73.4	0	110.7	N164 K165 T170 F187	N164-K167 CarbonylContact C-O 3.54Å; N164-K167 CarbonylContact O-C 3.38Å; K165-K167 VanDerWaalsContact C-N 3.31Å; K165-K167 PolarHBondContact N-O 2.97Å; K167-T170 WeakPolarHBondContact O-CB 3.4Å; K167-T170 PolarHBondContact O-OG1 2.68Å; K167-F187 HydrophobicContact CB-CG 4.36Å; K167-F187 HydrophobicContact CD-CD1 3.73Å; K167-F187 HydrophobicContact CD-CD2 4.16Å; K167-F187 HydrophobicContact CD-CE1 3.56Å; K167-F187 HydrophobicContact CD-CE2 4.04Å; K167-F187 HydrophobicContact CD-CG 4.04Å; K167-F187 HydrophobicContact CD-CZ 3.75Å
168	P	87	Confident	79.7	Confident	78 Å²	78	56.5 Å²	56.5	51%	0.506	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	148.7	168	-24.6	34.5	0	0	0	111.5	T170	P168-T170 PolarHBondContact O-N 2.8Å
169	Y	91.8	Very high	77.5	Confident	77 Å²	77	61.8 Å²	61.8	30%	0.302	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	29.4	175.7	-36.8	-56	0	0	0	114.6	N164 E189 E191	N164-Y169 PolarHBondContact OD1-N 2.83Å; Y169-E189 WeakPolarHBondContact CD2-O 3.12Å; Y169-E189 WeakPolarHBondContact CE2-O 3.36Å; Y169-E191 HydrophobicContact CD1-CB 3.83Å; Y169-E191 HydrophobicContact CE1-CB 3.64Å
170	T	89.8	Confident	75.6	Confident	0 Å²	0	60 Å²	60	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	146.3	171.3	-62	0	0	0	0	109.5	W122 L163 K167 P168 L185 F186	W122-T170 HydrophobicContact CH2-CG2 4.36Å; L163-T170 CarbonylContact C-O 3.12Å; L163-T170 HydrophobicContact CB-CG2 4.04Å; L163-T170 HydrophobicContact CD1-CG2 4.32Å; L163-T170 PolarHBondContact N-O 3.46Å; L163-T170 CarbonylContact O-C 3.46Å; L163-T170 WeakPolarHBondContact O-CA 3.43Å; L163-T170 PolarHBondContact O-N 3.02Å; K167-T170 WeakPolarHBondContact O-CB 3.4Å; K167-T170 PolarHBondContact O-OG1 2.68Å; P168-T170 PolarHBondContact O-N 2.8Å; T170-L185 HydrophobicContact CG2-CD2 4.04Å; T170-L185 HydrophobicContact CG2-CG 4.36Å; T170-F186 CarbonylContact C-O 3.53Å; T170-F186 VanDerWaalsContact CA-O 3.24Å; T170-F186 WeakPolarHBondContact CA-O 3.22Å; T170-F186 WeakPolarHBondContact CG2-O 3.44Å
171	F	92.7	Very high	74.3	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	149.1	166.3	61.9	-84.7	0	0	0	110.1	L112 I161 I173 F186 V188 R194 W197 L198 I201	L112-F171 HydrophobicContact CD1-CZ 4.14Å; L112-F171 HydrophobicContact CD2-CE1 4.2Å; L112-F171 HydrophobicContact CD2-CZ 3.98Å; I161-F171 CarbonylContact O-C 3.4Å; I161-F171 WeakPolarHBondContact O-CA 3.24Å; F171-I173 HydrophobicContact CD2-CG1 4.26Å; F171-I173 HydrophobicContact CE2-CD1 4.22Å; F171-I173 HydrophobicContact CE2-CG1 4.38Å; F171-F186 HydrophobicContact CD1-CB 4.1Å; F171-F186 HydrophobicContact CD2-CB 4.09Å; F171-F186 AromaticContact CD2-CD2 4Å; F171-F186 HydrophobicContact CD2-CD2 4Å; F171-F186 HydrophobicContact CD2-CG 4.44Å; F171-F186 HydrophobicContact CE1-CB 3.64Å; F171-F186 HydrophobicContact CE2-CB 3.62Å; F171-F186 AromaticContact CE2-CD2 3.58Å; F171-F186 HydrophobicContact CE2-CD2 3.58Å; F171-F186 AromaticContact CE2-CG 3.8Å; F171-F186 HydrophobicContact CE2-CG 3.8Å; F171-F186 HydrophobicContact CG-CB 4.32Å; F171-F186 HydrophobicContact CZ-CB 3.38Å; F171-F186 HydrophobicContact CZ-CD2 4.18Å; F171-F186 AromaticContact CZ-CG 3.91Å; F171-F186 HydrophobicContact CZ-CG 3.91Å; F171-F186 PolarHBondContact N-O 3.17Å; F171-F186 PolarHBondContact O-N 3.48Å; F171-V188 HydrophobicContact CE1-CG1 4.31Å; F171-R194 HydrophobicContact CD1-CG 4.12Å; F171-W197 HydrophobicContact CZ-CB 4.25Å; F171-L198 HydrophobicContact CB-CD2 3.92Å; F171-L198 HydrophobicContact CD2-CD2 4.11Å; F171-L198 HydrophobicContact CG-CD2 4.06Å; F171-I201 HydrophobicContact CE2-CD1 4.1Å
172	L	87.3	Confident	73.3	Confident	12 Å²	12	64.1 Å²	64.1	6%	0.063	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128.7	-178.4	-179.9	161.9	0	0	0	108.2	I160 I161 L163 R174 E183 R184 L185	I160-L172 WeakPolarHBondContact CA-O 3.43Å; I161-L172 HydrophobicContact CB-CB 4.26Å; I161-L172 HydrophobicContact CD1-CD2 4.1Å; I161-L172 HydrophobicContact CG1-CD2 4.36Å; I161-L172 PolarHBondContact N-O 2.74Å; I161-L172 PolarHBondContact O-N 2.79Å; L163-L172 HydrophobicContact CD1-CB 3.93Å; L163-L172 HydrophobicContact CD1-CD1 4.26Å; L172-R174 HydrophobicContact CD2-CB 3.66Å; L172-E183 HydrophobicContact CD1-CB 4.38Å; L172-E183 HydrophobicContact CD2-CB 4.3Å; L172-E183 HydrophobicContact CD2-CG 4.18Å; L172-E183 HydrophobicContact CG-CB 4.37Å; L172-R184 WeakPolarHBondContact CA-O 3.27Å; L172-L185 HydrophobicContact CB-CD1 4.41Å; L172-L185 HydrophobicContact CB-CG 4.47Å; L172-L185 HydrophobicContact CD1-CD1 3.6Å; L172-L185 HydrophobicContact CD1-CG 4.42Å; L172-L185 HydrophobicContact CG-CD1 4.01Å
173	I	87.7	Confident	72.9	Confident	2 Å²	2	67.6 Å²	67.6	1%	0.01	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	119.2	169.7	-56.6	176.1	0	0	0	106.8	F135 F153 C158 F171 E183 R184 F186 I201	F135-I173 HydrophobicContact CD1-CD1 3.89Å; F135-I173 HydrophobicContact CE1-CD1 3.64Å; F153-I173 HydrophobicContact CE2-CD1 3.78Å; F153-I173 HydrophobicContact CE2-CG2 4.36Å; F153-I173 HydrophobicContact CZ-CD1 4.17Å; C158-I173 HydrophobicContact CB-CG2 3.77Å; F171-I173 HydrophobicContact CD2-CG1 4.26Å; F171-I173 HydrophobicContact CE2-CD1 4.22Å; F171-I173 HydrophobicContact CE2-CG1 4.38Å; I173-E183 CarbonylContact O-C 3.53Å; I173-E183 WeakPolarHBondContact O-CA 3.44Å; I173-R184 PolarHBondContact N-O 3.37Å; I173-R184 PolarHBondContact O-N 2.98Å; I173-F186 HydrophobicContact CB-CE2 4.26Å; I173-F186 HydrophobicContact CD1-CD2 4.12Å; I173-F186 HydrophobicContact CD1-CE2 3.63Å; I173-F186 HydrophobicContact CD1-CZ 4.44Å; I173-F186 HydrophobicContact CG1-CD2 4.22Å; I173-F186 HydrophobicContact CG1-CE2 3.93Å; I173-I201 HydrophobicContact CD1-CD1 3.74Å; I173-I201 HydrophobicContact CD1-CG2 4.45Å
174	R	80.7	Confident	72.8	Confident	86 Å²	86	68.4 Å²	68.4	33%	0.325	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	107.2	177.8	177.6	-174.8	-75.2	175.9	-6.1	107.6	C158 Q159 L172 V181 V182 E183	C158-R174 CarbonylContact C-O 3.52Å; C158-R174 VanDerWaalsContact CA-O 3.26Å; C158-R174 WeakPolarHBondContact CA-O 3.37Å; Q159-R174 HydrophobicContact CB-CB 4.24Å; Q159-R174 PolarHBondContact N-O 2.89Å; Q159-R174 PolarHBondContact O-N 3.42Å; L172-R174 HydrophobicContact CD2-CB 3.66Å; R174-V181 HydrophobicContact CG-CG1 3.28Å; R174-V182 CarbonylContact C-O 3.59Å; R174-V182 VanDerWaalsContact CA-O 3.28Å; R174-V182 WeakPolarHBondContact CA-O 3.46Å; R174-E183 HydrophobicContact CB-CG 4.33Å; R174-E183 HydrophobicContact CG-CG 4.18Å; R174-E183 IonicContact CZ-OE1 2.87Å; R174-E183 IonicContact NE-OE1 3.42Å; R174-E183 PolarHBondContact NE-OE1 3.47Å; R174-E183 IonicContact NH2-OE1 3.98Å; R174-E183 PolarHBondContact NH2-OE1 3.45Å
175	G	69.2	Low	73.1	Confident	10 Å²	10	65.5 Å²	65.5	10%	0.103	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	161.1	-179.5	0	0	0	0	0	111.8	V181 V182	G175-V181 CarbonylContact O-C 3.07Å; G175-V181 WeakPolarHBondContact O-CA 3.34Å; G175-V182 PolarHBondContact N-O 3.03Å; G175-V182 PolarHBondContact O-N 3.33Å
176	L	52.7	Low	73.8	Confident	93 Å²	93	59 Å²	59	49%	0.487	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	118.8	163.3	-90.1	133	0	0	0	108.7	N180	L176-N180 WeakPolarHBondContact CA-O 3.38Å
177	Q	53.9	Low	74.5	Confident	63 Å²	63	56.6 Å²	56.6	29%	0.294	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	106.6	166.5	-159	168.7	-13.6	0	0	106.5	T179 N180 V182	Q177-T179 PolarHBondContact O-N 3.14Å; Q177-T179 VanDerWaalsContact O-N 3.09Å; Q177-N180 PolarHBondContact N-O 2.97Å; Q177-N180 PolarHBondContact O-N 3.32Å; Q177-V182 HydrophobicContact CB-CG2 3.48Å; Q177-V182 VanDerWaalsContact CB-CG2 3.48Å
178	W	48.5	Very low	75	Confident	232 Å²	232	52.8 Å²	52.8	88%	0.879	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	-103.1	-166.3	-57.9	94.3	0	0	0	111.8
179	T	37.2	Very low	75.3	Confident	114 Å²	114	56.4 Å²	56.4	70%	0.699	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.3	-4.1	-177.8	53.5	0	0	0	0	113.4	Q177	Q177-T179 PolarHBondContact O-N 3.14Å; Q177-T179 VanDerWaalsContact O-N 3.09Å
180	N	41.3	Very low	75.4	Confident	55 Å²	55	55.6 Å²	55.6	29%	0.294	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	138	-176.4	-71.7	-37.6	0	0	0	111.7	L176 Q177 V182	L176-N180 WeakPolarHBondContact CA-O 3.38Å; Q177-N180 PolarHBondContact N-O 2.97Å; Q177-N180 PolarHBondContact O-N 3.32Å; N180-V182 PolarHBondContact O-N 3.21Å
181	V	58.4	Low	75.5	Confident	76 Å²	76	60.2 Å²	60.2	46%	0.461	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	108.1	166.9	179.7	0	0	0	0	107.8	R174 G175	R174-V181 HydrophobicContact CG-CG1 3.28Å; G175-V181 CarbonylContact O-C 3.07Å; G175-V181 WeakPolarHBondContact O-CA 3.34Å
182	V	63.9	Low	75.6	Confident	26 Å²	26	63.8 Å²	63.8	16%	0.158	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	125.9	-179.2	-167	0	0	0	0	109.4	R174 G175 Q177 N180	R174-V182 CarbonylContact C-O 3.59Å; R174-V182 VanDerWaalsContact CA-O 3.28Å; R174-V182 WeakPolarHBondContact CA-O 3.46Å; G175-V182 PolarHBondContact N-O 3.03Å; G175-V182 PolarHBondContact O-N 3.33Å; Q177-V182 HydrophobicContact CB-CG2 3.48Å; Q177-V182 VanDerWaalsContact CB-CG2 3.48Å; N180-V182 PolarHBondContact O-N 3.21Å
183	E	79.6	Confident	75.9	Confident	82 Å²	82	67.2 Å²	67.2	38%	0.383	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	135.2	174.7	-60.8	-169.2	153.7	0	0	111.3	L172 I173 R174	L172-E183 HydrophobicContact CD1-CB 4.38Å; L172-E183 HydrophobicContact CD2-CB 4.3Å; L172-E183 HydrophobicContact CD2-CG 4.18Å; L172-E183 HydrophobicContact CG-CB 4.37Å; I173-E183 CarbonylContact O-C 3.53Å; I173-E183 WeakPolarHBondContact O-CA 3.44Å; R174-E183 HydrophobicContact CB-CG 4.33Å; R174-E183 HydrophobicContact CG-CG 4.18Å; R174-E183 IonicContact CZ-OE1 2.87Å; R174-E183 IonicContact NE-OE1 3.42Å; R174-E183 PolarHBondContact NE-OE1 3.47Å; R174-E183 IonicContact NH2-OE1 3.98Å; R174-E183 PolarHBondContact NH2-OE1 3.45Å
184	R	83.3	Confident	76.2	Confident	42 Å²	42	67.8 Å²	67.8	16%	0.158	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	114.1	177.3	-59.9	-66.5	-179.9	-124.1	16.9	108.8	E117 L172 I173 F186	E117-R184 IonicContact OE1-CZ 3.4Å; E117-R184 IonicContact OE1-NE 3.05Å; E117-R184 IonicContact OE1-NH1 3.44Å; E117-R184 PolarHBondContact OE1-NH1 3.14Å; E117-R184 IonicContact OE1-NH2 3.51Å; E117-R184 PolarHBondContact OE1-NH2 3.31Å; E117-R184 VanDerWaalsContact OE1-NH2 3.12Å; E117-R184 IonicContact OE2-CZ 3.14Å; E117-R184 VanDerWaalsContact OE2-CZ 3.26Å; E117-R184 IonicContact OE2-NH1 2.7Å; E117-R184 PolarHBondContact OE2-NH1 3.43Å; E117-R184 VanDerWaalsContact OE2-NH1 3.09Å; E117-R184 IonicContact OE2-NH2 3.18Å; E117-R184 PolarHBondContact OE2-NH2 3.02Å; L172-R184 WeakPolarHBondContact CA-O 3.27Å; I173-R184 PolarHBondContact N-O 3.37Å; I173-R184 PolarHBondContact O-N 2.98Å; R184-F186 HydrophobicContact CB-CD2 4.41Å; R184-F186 HydrophobicContact CB-CE2 3.4Å; R184-F186 HydrophobicContact CB-CZ 3.59Å; R184-F186 HydrophobicContact CG-CZ 4.49Å; R184-F186 WeakPolarHBondContact O-CD2 3.43Å; R184-F186 VanDerWaalsContact O-CE2 3.29Å; R184-F186 WeakPolarHBondContact O-CE2 3.45Å
185	L	88.4	Confident	76.8	Confident	29 Å²	29	67.6 Å²	67.6	15%	0.152	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	132.2	174.8	-93	82.8	0	0	0	111.3	R115 W122 T170 L172	R115-L185 HydrophobicContact CB-CB 3.96Å; R115-L185 PolarHBondContact N-O 3.33Å; W122-L185 HydrophobicContact CH2-CB 4.17Å; W122-L185 HydrophobicContact CH2-CD2 4.4Å; W122-L185 HydrophobicContact CZ3-CB 4.47Å; T170-L185 HydrophobicContact CG2-CD2 4.04Å; T170-L185 HydrophobicContact CG2-CG 4.36Å; L172-L185 HydrophobicContact CB-CD1 4.41Å; L172-L185 HydrophobicContact CB-CG 4.47Å; L172-L185 HydrophobicContact CD1-CD1 3.6Å; L172-L185 HydrophobicContact CD1-CG 4.42Å; L172-L185 HydrophobicContact CG-CD1 4.01Å
186	F	93.9	Very high	78	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	151.2	175.1	-54.4	-84.8	0	0	0	110	L112 M113 K114 F127 F153 T170 F171 I173 R184	L112-F186 HydrophobicContact CB-CD1 4.32Å; L112-F186 HydrophobicContact CD1-CD1 4.04Å; L112-F186 HydrophobicContact CD1-CG 4.49Å; M113-F186 CarbonylContact O-C 3.53Å; M113-F186 VanDerWaalsContact O-CA 3.27Å; M113-F186 WeakPolarHBondContact O-CA 3.49Å; K114-F186 HydrophobicContact CB-CD1 4.22Å; K114-F186 HydrophobicContact CB-CE1 4.23Å; K114-F186 HydrophobicContact CG-CD1 4.25Å; K114-F186 HydrophobicContact CG-CE1 3.89Å; F127-F186 AromaticContact CE1-CE1 3.94Å; F127-F186 HydrophobicContact CE1-CE1 3.94Å; F127-F186 HydrophobicContact CE2-CD1 4.27Å; F127-F186 AromaticContact CE2-CE1 3.95Å; F127-F186 HydrophobicContact CE2-CE1 3.95Å; F127-F186 HydrophobicContact CZ-CD1 4.31Å; F127-F186 AromaticContact CZ-CE1 3.56Å; F127-F186 HydrophobicContact CZ-CE1 3.56Å; F153-F186 AromaticContact CE1-CZ 3.88Å; F153-F186 HydrophobicContact CE1-CZ 3.88Å; F153-F186 HydrophobicContact CE2-CZ 4.31Å; F153-F186 HydrophobicContact CZ-CE1 4.32Å; F153-F186 HydrophobicContact CZ-CE2 4.09Å; F153-F186 AromaticContact CZ-CZ 3.46Å; F153-F186 HydrophobicContact CZ-CZ 3.46Å; F153-F186 VanDerWaalsContact CZ-CZ 3.46Å; T170-F186 CarbonylContact C-O 3.53Å; T170-F186 VanDerWaalsContact CA-O 3.24Å; T170-F186 WeakPolarHBondContact CA-O 3.22Å; T170-F186 WeakPolarHBondContact CG2-O 3.44Å; F171-F186 HydrophobicContact CD1-CB 4.1Å; F171-F186 HydrophobicContact CD2-CB 4.09Å; F171-F186 AromaticContact CD2-CD2 4Å; F171-F186 HydrophobicContact CD2-CD2 4Å; F171-F186 HydrophobicContact CD2-CG 4.44Å; F171-F186 HydrophobicContact CE1-CB 3.64Å; F171-F186 HydrophobicContact CE2-CB 3.62Å; F171-F186 AromaticContact CE2-CD2 3.58Å; F171-F186 HydrophobicContact CE2-CD2 3.58Å; F171-F186 AromaticContact CE2-CG 3.8Å; F171-F186 HydrophobicContact CE2-CG 3.8Å; F171-F186 HydrophobicContact CG-CB 4.32Å; F171-F186 HydrophobicContact CZ-CB 3.38Å; F171-F186 HydrophobicContact CZ-CD2 4.18Å; F171-F186 AromaticContact CZ-CG 3.91Å; F171-F186 HydrophobicContact CZ-CG 3.91Å; F171-F186 PolarHBondContact N-O 3.17Å; F171-F186 PolarHBondContact O-N 3.48Å; I173-F186 HydrophobicContact CB-CE2 4.26Å; I173-F186 HydrophobicContact CD1-CD2 4.12Å; I173-F186 HydrophobicContact CD1-CE2 3.63Å; I173-F186 HydrophobicContact CD1-CZ 4.44Å; I173-F186 HydrophobicContact CG1-CD2 4.22Å; I173-F186 HydrophobicContact CG1-CE2 3.93Å; R184-F186 HydrophobicContact CB-CD2 4.41Å; R184-F186 HydrophobicContact CB-CE2 3.4Å; R184-F186 HydrophobicContact CB-CZ 3.59Å; R184-F186 HydrophobicContact CG-CZ 4.49Å; R184-F186 WeakPolarHBondContact O-CD2 3.43Å; R184-F186 VanDerWaalsContact O-CE2 3.29Å; R184-F186 WeakPolarHBondContact O-CE2 3.45Å
187	F	93.6	Very high	80	Confident	27 Å²	27	70.1 Å²	70.1	12%	0.118	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	157	162.9	92.2	-93.2	0	0	0	111	M113 W122 K167	M113-F187 HydrophobicContact CB-CD1 3.26Å; M113-F187 HydrophobicContact CB-CD2 4.46Å; M113-F187 HydrophobicContact CB-CE1 3.1Å; M113-F187 HydrophobicContact CB-CE2 4.32Å; M113-F187 HydrophobicContact CB-CG 3.97Å; M113-F187 HydrophobicContact CB-CZ 3.68Å; M113-F187 WeakPolarHBondContact CB-O 3.45Å; M113-F187 HydrophobicContact CE-CE1 3.91Å; M113-F187 HydrophobicContact CE-CZ 4.05Å; M113-F187 HydrophobicContact CG-CD1 4.04Å; M113-F187 HydrophobicContact CG-CE1 3.45Å; M113-F187 VanDerWaalsContact CG-CE1 3.45Å; M113-F187 HydrophobicContact CG-CE2 4.08Å; M113-F187 HydrophobicContact CG-CZ 3.46Å; M113-F187 VanDerWaalsContact CG-CZ 3.46Å; M113-F187 PolarHBondContact N-O 3.3Å; M113-F187 VanDerWaalsContact N-O 3.15Å; M113-F187 PolarHBondContact O-N 3.34Å; W122-F187 HydrophobicContact CB-CE1 4.08Å; W122-F187 AromaticContact CD2-CD1 3.59Å; W122-F187 HydrophobicContact CD2-CD1 3.59Å; W122-F187 AromaticContact CD2-CE1 3.8Å; W122-F187 HydrophobicContact CD2-CE1 3.8Å; W122-F187 AromaticContact CE2-CD1 3.97Å; W122-F187 AromaticContact CE3-CD1 3.44Å; W122-F187 HydrophobicContact CE3-CD1 3.44Å; W122-F187 VanDerWaalsContact CE3-CD1 3.44Å; W122-F187 AromaticContact CE3-CE1 3.97Å; W122-F187 HydrophobicContact CE3-CE1 3.97Å; W122-F187 HydrophobicContact CG-CD1 4.18Å; W122-F187 AromaticContact CG-CE1 3.88Å; W122-F187 HydrophobicContact CG-CE1 3.88Å; W122-F187 HydrophobicContact CH2-CB 4.17Å; W122-F187 HydrophobicContact CH2-CD1 4.01Å; W122-F187 HydrophobicContact CZ2-CD1 4.17Å; W122-F187 HydrophobicContact CZ3-CB 4.24Å; W122-F187 AromaticContact CZ3-CD1 3.66Å; W122-F187 HydrophobicContact CZ3-CD1 3.66Å; W122-F187 HydrophobicContact CZ3-CG 4.44Å; K167-F187 HydrophobicContact CB-CG 4.36Å; K167-F187 HydrophobicContact CD-CD1 3.73Å; K167-F187 HydrophobicContact CD-CD2 4.16Å; K167-F187 HydrophobicContact CD-CE1 3.56Å; K167-F187 HydrophobicContact CD-CE2 4.04Å; K167-F187 HydrophobicContact CD-CG 4.04Å; K167-F187 HydrophobicContact CD-CZ 3.75Å
188	V	95.1	Very high	81.9	Confident	5 Å²	5	67.6 Å²	67.6	3%	0.03	34%	0.335	C	S	.	.			trans	-132.5	165.5	175.9	-71.6	0	0	0	0	109.7	L112 F171 T190 E193 R194	L112-V188 HydrophobicContact CD2-CG1 3.28Å; F171-V188 HydrophobicContact CE1-CG1 4.31Å; V188-T190 WeakPolarHBondContact CG2-O 3.46Å; V188-E193 HydrophobicContact CB-CB 3.98Å; V188-E193 HydrophobicContact CG1-CB 4.34Å; V188-E193 HydrophobicContact CG2-CB 4.07Å; V188-R194 HydrophobicContact CG2-CB 3.6Å
189	E	92.8	Very high	84	Confident	153 Å²	153	60.3 Å²	60.3	72%	0.715	32%	0.319	S	S	*	.	S	Bend	trans	-81.2	-25.2	-171.6	-65.5	-178.3	-176.7	0	0	112.7	Y169	Y169-E189 WeakPolarHBondContact CD2-O 3.12Å; Y169-E189 WeakPolarHBondContact CE2-O 3.36Å
190	T	93.4	Very high	86.7	Confident	61 Å²	61	55.4 Å²	55.4	37%	0.374	29%	0.291	S	S	.	.	S	Bend	trans	-130.3	153.5	-176.4	71.8	0	0	0	0	112.7	V188 A192 E193 R194	V188-T190 WeakPolarHBondContact CG2-O 3.46Å; T190-A192 VanDerWaalsContact C-N 3.3Å; T190-A192 PolarHBondContact O-N 3.11Å; T190-E193 PolarHBondContact O-N 3.08Å; T190-E193 WeakPolarHBondContact OG1-CB 3.45Å; T190-E193 VanDerWaalsContact OG1-CG 3.32Å; T190-E193 WeakPolarHBondContact OG1-CG 3.28Å; T190-E193 PolarHBondContact OG1-N 3.19Å; T190-R194 PolarHBondContact O-N 2.81Å; T190-R194 VanDerWaalsContact O-N 3.14Å
191	E	92.4	Very high	89.1	Confident	97 Å²	97	52.8 Å²	52.8	45%	0.453	28%	0.277	S	S	.	.	H	α-helix	trans	-63.3	-36.6	173.8	-178.9	157.5	-139	0	0	112.7	Y169 E193 R194 N195	Y169-E191 HydrophobicContact CD1-CB 3.83Å; Y169-E191 HydrophobicContact CE1-CB 3.64Å; E191-E193 VanDerWaalsContact C-N 3.34Å; E191-E193 PolarHBondContact O-N 3.06Å; E191-R194 WeakPolarHBondContact O-CB 3.15Å; E191-R194 PolarHBondContact O-N 2.76Å; E191-R194 IonicContact OE1-NH2 3.29Å; E191-R194 PolarHBondContact OE1-NH2 3.05Å; E191-N195 VanDerWaalsContact O-CG 3.28Å; E191-N195 PolarHBondContact O-N 3.48Å; E191-N195 PolarHBondContact O-ND2 2.87Å
192	A	93.3	Very high	90.6	Very high	74 Å²	74	50.4 Å²	50.4	61%	0.612	26%	0.26	S	S	*	.	H	α-helix	trans	-60.7	-43.9	177	0	0	0	0	0	111.4	T190 R194 N195 Y196	T190-A192 VanDerWaalsContact C-N 3.3Å; T190-A192 PolarHBondContact O-N 3.11Å; A192-R194 VanDerWaalsContact C-N 3.35Å; A192-N195 PolarHBondContact O-N 3.24Å; A192-Y196 WeakPolarHBondContact O-CB 3.35Å; A192-Y196 PolarHBondContact O-N 3.08Å
193	E	94.1	Very high	91.8	Very high	85 Å²	85	51.7 Å²	51.7	40%	0.397	27%	0.271	S	S	.	.	H	α-helix	trans	-62.6	-41.5	174	-77.3	178.9	179.8	0	0	112	V188 T190 E191 Y196 W197	V188-E193 HydrophobicContact CB-CB 3.98Å; V188-E193 HydrophobicContact CG1-CB 4.34Å; V188-E193 HydrophobicContact CG2-CB 4.07Å; T190-E193 PolarHBondContact O-N 3.08Å; T190-E193 WeakPolarHBondContact OG1-CB 3.45Å; T190-E193 VanDerWaalsContact OG1-CG 3.32Å; T190-E193 WeakPolarHBondContact OG1-CG 3.28Å; T190-E193 PolarHBondContact OG1-N 3.19Å; E191-E193 VanDerWaalsContact C-N 3.34Å; E191-E193 PolarHBondContact O-N 3.06Å; E193-Y196 PolarHBondContact O-N 3.47Å; E193-W197 PolarHBondContact O-N 3.22Å
194	R	94.8	Very high	92.3	Very high	14 Å²	14	47.8 Å²	47.8	5%	0.053	25%	0.253	C	S	.	.	H	α-helix	trans	-59.5	-51.8	178.3	-179.5	178.6	65.9	-174.7	-4.6	109.4	L163 N164 F171 V188 T190 E191 A192 Y196 W197 L198	L163-R194 PolarHBondContact O-NH1 3.1Å; N164-R194 PolarHBondContact OD1-NH1 2.85Å; F171-R194 HydrophobicContact CD1-CG 4.12Å; V188-R194 HydrophobicContact CG2-CB 3.6Å; T190-R194 PolarHBondContact O-N 2.81Å; T190-R194 VanDerWaalsContact O-N 3.14Å; E191-R194 WeakPolarHBondContact O-CB 3.15Å; E191-R194 PolarHBondContact O-N 2.76Å; E191-R194 IonicContact OE1-NH2 3.29Å; E191-R194 PolarHBondContact OE1-NH2 3.05Å; A192-R194 VanDerWaalsContact C-N 3.35Å; R194-Y196 VanDerWaalsContact C-N 3.26Å; R194-Y196 PolarHBondContact O-N 2.81Å; R194-W197 PolarHBondContact O-N 3.49Å; R194-L198 HydrophobicContact CG-CD1 3.65Å; R194-L198 HydrophobicContact CG-CG 4.13Å; R194-L198 WeakPolarHBondContact O-CB 3.44Å; R194-L198 WeakPolarHBondContact O-CG 3.45Å; R194-L198 PolarHBondContact O-N 3.03Å
195	N	92.8	Very high	92.5	Very high	81 Å²	81	45.8 Å²	45.8	43%	0.433	25%	0.245	S	C	.	.	H	α-helix	trans	-61.9	-35.9	-178.2	-67.4	-16.2	0	0	0	112.1	E191 A192 S199	E191-N195 VanDerWaalsContact O-CG 3.28Å; E191-N195 PolarHBondContact O-N 3.48Å; E191-N195 PolarHBondContact O-ND2 2.87Å; A192-N195 PolarHBondContact O-N 3.24Å; N195-S199 VanDerWaalsContact O-CB 3.26Å; N195-S199 WeakPolarHBondContact O-CB 3.49Å; N195-S199 PolarHBondContact O-N 3.22Å
196	Y	93.7	Very high	92.4	Very high	147 Å²	147	47.2 Å²	47.2	58%	0.576	25%	0.253	S	S	*	.	H	α-helix	trans	-68.8	-43.2	178.1	-168.3	-141.9	0	0	0	112.7	K108 A192 E193 R194 A200	K108-Y196 HydrophobicContact CD-CD1 4.18Å; K108-Y196 HydrophobicContact CD-CE1 3.75Å; K108-Y196 VanDerWaalsContact NZ-CE1 3.26Å; A192-Y196 WeakPolarHBondContact O-CB 3.35Å; A192-Y196 PolarHBondContact O-N 3.08Å; E193-Y196 PolarHBondContact O-N 3.47Å; R194-Y196 VanDerWaalsContact C-N 3.26Å; R194-Y196 PolarHBondContact O-N 2.81Å; Y196-A200 PolarHBondContact O-N 2.92Å; Y196-A200 VanDerWaalsContact O-N 3.14Å
197	W	95.7	Very high	91.9	Very high	9 Å²	9	53.3 Å²	53.3	3%	0.034	28%	0.276	C	S	.	.	H	α-helix	trans	-63.4	-47.3	173.2	-85.2	109.3	0	0	0	112.1	K108 L112 F127 L129 F135 F171 E193 R194 S199 A200 I201	K108-W197 HydrophobicContact CB-CE3 4.45Å; K108-W197 HydrophobicContact CB-CZ3 4.06Å; K108-W197 HydrophobicContact CG-CD2 4.13Å; K108-W197 HydrophobicContact CG-CE3 3.68Å; K108-W197 HydrophobicContact CG-CH2 3.84Å; K108-W197 HydrophobicContact CG-CZ2 4.26Å; K108-W197 HydrophobicContact CG-CZ3 3.51Å; L112-W197 HydrophobicContact CD1-CD2 4.16Å; L112-W197 HydrophobicContact CD1-CE3 4.37Å; L112-W197 HydrophobicContact CD1-CH2 4.31Å; L112-W197 HydrophobicContact CD1-CZ2 4.1Å; L112-W197 HydrophobicContact CD1-CZ3 4.47Å; L112-W197 HydrophobicContact CD2-CD2 4.12Å; L112-W197 HydrophobicContact CD2-CG 4.06Å; L112-W197 HydrophobicContact CD2-CZ2 4.28Å; L112-W197 HydrophobicContact CG-CD2 4.41Å; L112-W197 HydrophobicContact CG-CZ2 3.94Å; F127-W197 HydrophobicContact CB-CH2 4.09Å; L129-W197 HydrophobicContact CB-CZ3 4.42Å; F135-W197 HydrophobicContact CE2-CE3 4.11Å; F135-W197 AromaticContact CE2-CH2 3.94Å; F135-W197 HydrophobicContact CE2-CH2 3.94Å; F135-W197 AromaticContact CE2-CZ3 3.37Å; F135-W197 HydrophobicContact CE2-CZ3 3.37Å; F135-W197 AromaticContact CZ-CE3 3.82Å; F135-W197 HydrophobicContact CZ-CE3 3.82Å; F135-W197 HydrophobicContact CZ-CH2 4.26Å; F135-W197 AromaticContact CZ-CZ3 3.55Å; F135-W197 HydrophobicContact CZ-CZ3 3.55Å; F171-W197 HydrophobicContact CZ-CB 4.25Å; E193-W197 PolarHBondContact O-N 3.22Å; R194-W197 PolarHBondContact O-N 3.49Å; W197-S199 PolarHBondContact O-N 3.33Å; W197-A200 PolarHBondContact O-N 3.5Å; W197-I201 WeakPolarHBondContact O-CD1 3.3Å; W197-I201 VanDerWaalsContact O-CG1 3.26Å; W197-I201 WeakPolarHBondContact O-CG1 3.38Å; W197-I201 PolarHBondContact O-N 3.19Å
198	L	93.3	Very high	91.3	Very high	10 Å²	10	54.1 Å²	54.1	5%	0.052	28%	0.281	C	S	.	.	H	α-helix	trans	-58.5	-47.3	178.7	-68.3	174.7	0	0	0	111.2	I160 C162 F171 R194 A200 I201 Q202	I160-L198 HydrophobicContact CG2-CD2 3.23Å; C162-L198 WeakPolarHBondContact SG-CD1 3.44Å; F171-L198 HydrophobicContact CB-CD2 3.92Å; F171-L198 HydrophobicContact CD2-CD2 4.11Å; F171-L198 HydrophobicContact CG-CD2 4.06Å; R194-L198 HydrophobicContact CG-CD1 3.65Å; R194-L198 HydrophobicContact CG-CG 4.13Å; R194-L198 WeakPolarHBondContact O-CB 3.44Å; R194-L198 WeakPolarHBondContact O-CG 3.45Å; R194-L198 PolarHBondContact O-N 3.03Å; L198-A200 VanDerWaalsContact C-N 3.34Å; L198-A200 PolarHBondContact O-N 3.48Å; L198-I201 PolarHBondContact O-N 2.89Å; L198-Q202 WeakPolarHBondContact O-CB 3.44Å; L198-Q202 PolarHBondContact O-N 2.81Å
199	S	92.3	Very high	90.2	Very high	79 Å²	79	56.3 Å²	56.3	55%	0.552	29%	0.29	S	S	*	.	H	α-helix	trans	-59.1	-43	178.1	-178	0	0	0	0	112.2	N195 W197 S203	N195-S199 VanDerWaalsContact O-CB 3.26Å; N195-S199 WeakPolarHBondContact O-CB 3.49Å; N195-S199 PolarHBondContact O-N 3.22Å; W197-S199 PolarHBondContact O-N 3.33Å; S199-S203 VanDerWaalsContact O-CB 3.27Å; S199-S203 WeakPolarHBondContact O-CB 3.42Å; S199-S203 PolarHBondContact O-N 3.33Å
200	A	93.8	Very high	88.4	Confident	12 Å²	12	52.1 Å²	52.1	10%	0.099	28%	0.278	C	S	.	.	H	α-helix	trans	-65.9	-47.6	178.2	0	0	0	0	0	112.5	V107 K108 L129 Y196 W197 L198 Q202 S203 V204	V107-A200 HydrophobicContact CG1-CB 4.47Å; K108-A200 HydrophobicContact CB-CB 3.8Å; K108-A200 HydrophobicContact CG-CB 4.17Å; L129-A200 HydrophobicContact CD2-CB 3.91Å; Y196-A200 PolarHBondContact O-N 2.92Å; Y196-A200 VanDerWaalsContact O-N 3.14Å; W197-A200 PolarHBondContact O-N 3.5Å; L198-A200 VanDerWaalsContact C-N 3.34Å; L198-A200 PolarHBondContact O-N 3.48Å; A200-Q202 PolarHBondContact O-N 2.97Å; A200-S203 PolarHBondContact O-N 3.21Å; A200-V204 WeakPolarHBondContact O-CG2 3.47Å; A200-V204 PolarHBondContact O-N 2.84Å
201	I	92.8	Very high	86.3	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.6	-46.9	179	-65.8	159.4	0	0	0	110.2	L129 F135 V155 I160 F171 I173 W197 L198 S203 V204 A205	L129-I201 HydrophobicContact CD2-CB 4.47Å; L129-I201 HydrophobicContact CD2-CG1 3.97Å; F135-I201 HydrophobicContact CD1-CD1 4.41Å; F135-I201 HydrophobicContact CD1-CG1 4.4Å; F135-I201 HydrophobicContact CE1-CD1 3.72Å; F135-I201 HydrophobicContact CE1-CG1 4.1Å; F135-I201 HydrophobicContact CZ-CD1 4.23Å; V155-I201 HydrophobicContact CB-CG2 4.01Å; V155-I201 HydrophobicContact CG1-CG2 3.8Å; I160-I201 HydrophobicContact CD1-CB 4.11Å; I160-I201 HydrophobicContact CD1-CG2 3.56Å; I160-I201 HydrophobicContact CG1-CG2 4.29Å; F171-I201 HydrophobicContact CE2-CD1 4.1Å; I173-I201 HydrophobicContact CD1-CD1 3.74Å; I173-I201 HydrophobicContact CD1-CG2 4.45Å; W197-I201 WeakPolarHBondContact O-CD1 3.3Å; W197-I201 VanDerWaalsContact O-CG1 3.26Å; W197-I201 WeakPolarHBondContact O-CG1 3.38Å; W197-I201 PolarHBondContact O-N 3.19Å; L198-I201 PolarHBondContact O-N 2.89Å; I201-S203 VanDerWaalsContact C-N 3.34Å; I201-S203 PolarHBondContact O-N 3.49Å; I201-V204 PolarHBondContact O-N 3.08Å; I201-A205 WeakPolarHBondContact O-CB 3.28Å; I201-A205 PolarHBondContact O-N 3.48Å
202	Q	90	Very high	84.1	Confident	25 Å²	25	60.1 Å²	60.1	12%	0.117	32%	0.322	C	S	.	.	H	α-helix	trans	-60.3	-42.2	178.7	-178.3	60.6	54.7	0	0	112.2	I160 L198 A200 N206 V216	I160-Q202 HydrophobicContact CD1-CB 4.13Å; L198-Q202 WeakPolarHBondContact O-CB 3.44Å; L198-Q202 PolarHBondContact O-N 2.81Å; A200-Q202 PolarHBondContact O-N 2.97Å; Q202-N206 PolarHBondContact NE2-ND2 2.89Å; Q202-N206 PolarHBondContact NE2-OD1 2.86Å; Q202-N206 VanDerWaalsContact O-CB 3.31Å; Q202-N206 WeakPolarHBondContact O-CB 3.37Å; Q202-N206 VanDerWaalsContact O-CG 3.29Å; Q202-N206 PolarHBondContact O-N 3.35Å; Q202-V216 VanDerWaalsContact CD-O 3.27Å; Q202-V216 PolarHBondContact NE2-O 3.38Å; Q202-V216 PolarHBondContact OE1-O 2.74Å
203	S	89.6	Confident	82.2	Confident	54 Å²	54	61.5 Å²	61.5	38%	0.378	32%	0.316	S	S	.	.	H	α-helix	trans	-63	-45.1	176	179.2	0	0	0	0	111.8	S199 A200 I201 R207	S199-S203 VanDerWaalsContact O-CB 3.27Å; S199-S203 WeakPolarHBondContact O-CB 3.42Å; S199-S203 PolarHBondContact O-N 3.33Å; A200-S203 PolarHBondContact O-N 3.21Å; I201-S203 VanDerWaalsContact C-N 3.34Å; I201-S203 PolarHBondContact O-N 3.49Å; S203-R207 WeakPolarHBondContact O-CG 3.2Å; S203-R207 PolarHBondContact O-N 2.77Å; S203-R207 VanDerWaalsContact O-N 3.12Å
204	V	89.9	Confident	80.3	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-65.2	-49.3	176.6	174.3	0	0	0	0	111.2	V107 L129 R130 V155 A200 I201 N206 R207 L208	V107-V204 HydrophobicContact CB-CG2 4.05Å; V107-V204 HydrophobicContact CG1-CG2 3.9Å; V107-V204 HydrophobicContact CG2-CG2 3.77Å; L129-V204 HydrophobicContact CD1-CB 4.4Å; L129-V204 HydrophobicContact CD1-CG1 4.33Å; L129-V204 HydrophobicContact CD1-CG2 4.34Å; L129-V204 HydrophobicContact CD2-CB 4.41Å; L129-V204 HydrophobicContact CD2-CG2 3.84Å; L129-V204 HydrophobicContact CG-CG2 4.03Å; R130-V204 WeakPolarHBondContact O-CG1 3.46Å; V155-V204 HydrophobicContact CG2-CB 4.1Å; V155-V204 HydrophobicContact CG2-CG1 3.6Å; A200-V204 WeakPolarHBondContact O-CG2 3.47Å; A200-V204 PolarHBondContact O-N 2.84Å; I201-V204 PolarHBondContact O-N 3.08Å; V204-N206 VanDerWaalsContact C-N 3.32Å; V204-N206 PolarHBondContact O-N 3.29Å; V204-R207 PolarHBondContact O-N 3.07Å; V204-R207 VanDerWaalsContact O-N 3.15Å; V204-L208 HydrophobicContact CG1-CD1 3.81Å; V204-L208 WeakPolarHBondContact O-CG 3.49Å; V204-L208 PolarHBondContact O-N 3.37Å
205	A	87.2	Confident	78.6	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-58.9	-42.8	-179.4	0	0	0	0	0	112.1	V155 I201 L208 K209 V216	V155-A205 VanDerWaalsContact O-CB 3.25Å; V155-A205 WeakPolarHBondContact O-CB 3.32Å; I201-A205 WeakPolarHBondContact O-CB 3.28Å; I201-A205 PolarHBondContact O-N 3.48Å; A205-L208 PolarHBondContact O-N 3.13Å; A205-K209 PolarHBondContact O-N 2.88Å; A205-V216 HydrophobicContact CB-CG2 4.04Å
206	N	85.2	Confident	77.1	Confident	58 Å²	58	66 Å²	66	31%	0.31	34%	0.344	S	S	.	.	H	α-helix	trans	-66.8	-36.4	176.7	-77.8	-12.5	0	0	0	113.2	Q202 V204 L208 K209 V216	Q202-N206 PolarHBondContact NE2-ND2 2.89Å; Q202-N206 PolarHBondContact NE2-OD1 2.86Å; Q202-N206 VanDerWaalsContact O-CB 3.31Å; Q202-N206 WeakPolarHBondContact O-CB 3.37Å; Q202-N206 VanDerWaalsContact O-CG 3.29Å; Q202-N206 PolarHBondContact O-N 3.35Å; V204-N206 VanDerWaalsContact C-N 3.32Å; V204-N206 PolarHBondContact O-N 3.29Å; N206-L208 PolarHBondContact O-N 3.29Å; N206-K209 PolarHBondContact O-N 2.88Å; N206-V216 PolarHBondContact OD1-N 2.95Å
207	R	84.6	Confident	75.7	Confident	129 Å²	129	62.1 Å²	62.1	49%	0.487	34%	0.338	S	S	.	.	H	α-helix	trans	-66.3	-25.4	176.4	-77.5	-172	-64.9	172.9	3.8	112.9	E131 S203 V204	E131-R207 IonicContact OE1-CZ 3.94Å; E131-R207 IonicContact OE1-NH1 2.81Å; E131-R207 PolarHBondContact OE1-NH1 3.36Å; E131-R207 VanDerWaalsContact OE1-NH1 3.14Å; E131-R207 IonicContact OE1-NH2 2.98Å; S203-R207 WeakPolarHBondContact O-CG 3.2Å; S203-R207 PolarHBondContact O-N 2.77Å; S203-R207 VanDerWaalsContact O-N 3.12Å; V204-R207 PolarHBondContact O-N 3.07Å; V204-R207 VanDerWaalsContact O-N 3.15Å
208	L	80.6	Confident	74.1	Confident	44 Å²	44	64.7 Å²	64.7	23%	0.23	35%	0.354	C	S	.	.	H	α-helix	trans	-90.4	-9.5	-178.6	-64.8	169.2	0	0	0	113.7	R156 V204 A205 N206	R156-L208 HydrophobicContact CB-CD1 4.43Å; R156-L208 HydrophobicContact CG-CB 4.38Å; V204-L208 HydrophobicContact CG1-CD1 3.81Å; V204-L208 WeakPolarHBondContact O-CG 3.49Å; V204-L208 PolarHBondContact O-N 3.37Å; A205-L208 PolarHBondContact O-N 3.13Å; N206-L208 PolarHBondContact O-N 3.29Å
209	K	71.8	Confident	72.9	Confident	51 Å²	51	68.2 Å²	68.2	22%	0.222	37%	0.37	C	S	.	.	S	Bend	trans	-75.3	147.3	175.5	-82.3	-176.4	165.4	-176.4	0	111.4	A205 N206 E213 Q214 V216	A205-K209 PolarHBondContact O-N 2.88Å; N206-K209 PolarHBondContact O-N 2.88Å; K209-E213 HydrophobicContact CB-CB 4.48Å; K209-E213 HydrophobicContact CD-CB 4.35Å; K209-Q214 WeakPolarHBondContact CD-O 3.42Å; K209-Q214 PolarHBondContact NZ-O 2.75Å; K209-V216 HydrophobicContact CD-CG2 4.1Å; K209-V216 VanDerWaalsContact CE-CG2 3.4Å
210	S	54.4	Low	70.8	Confident	65 Å²	65	70.7 Å²	70.7	46%	0.455	38%	0.377	S	S	.	.			trans	-72.5	153.3	174.7	67.9	0	0	0	0	110.8	F212 E213	S210-F212 PolarHBondContact O-N 3.17Å; S210-E213 PolarHBondContact N-OE2 3.24Å; S210-E213 VanDerWaalsContact N-OE2 3.14Å; S210-E213 PolarHBondContact O-N 3.12Å; S210-E213 VanDerWaalsContact O-N 3.08Å; S210-E213 PolarHBondContact OG-OE2 3.01Å
211	S	48.9	Very low	68.4	Low	123 Å²	123	74.8 Å²	74.8	86%	0.86	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-8.2	-171.6	-32.9	0	0	0	0	116
212	F	47.2	Very low	65.7	Low	203 Å²	203	81.6 Å²	81.6	89%	0.89	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	2.5	-177.1	-66.5	-79.2	0	0	0	114	S210	S210-F212 PolarHBondContact O-N 3.17Å
213	E	53.1	Low	63	Low	103 Å²	103	86.6 Å²	86.6	48%	0.481	46%	0.46	S	S	.	.	S	Bend	trans	-105.2	139.9	-175.4	-71.4	168.3	146.5	0	0	112.7	K209 S210	K209-E213 HydrophobicContact CB-CB 4.48Å; K209-E213 HydrophobicContact CD-CB 4.35Å; S210-E213 PolarHBondContact N-OE2 3.24Å; S210-E213 VanDerWaalsContact N-OE2 3.14Å; S210-E213 PolarHBondContact O-N 3.12Å; S210-E213 VanDerWaalsContact O-N 3.08Å; S210-E213 PolarHBondContact OG-OE2 3.01Å
214	Q	54.6	Low	60	Low	170 Å²	170	88 Å²	88	79%	0.794	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-61.9	145.1	178.8	-70.8	-157.3	6.8	0	0	111.7	K209	K209-Q214 WeakPolarHBondContact CD-O 3.42Å; K209-Q214 PolarHBondContact NZ-O 2.75Å
215	P	59.3	Low	57	Low	92 Å²	92	97.2 Å²	97.2	60%	0.597	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-57.8	145.6	179.1	23.7	-33	0	0	0	111	S217	P215-S217 PolarHBondContact O-N 2.89Å
216	V	60.4	Low	54.2	Low	13 Å²	13	104.9 Å²	104.9	8%	0.079	56%	0.559	C	S	.	*	P	Polyproline II helix	trans	-58.4	132.6	172.8	174.5	0	0	0	0	108.3	C158 I160 Q202 A205 N206 K209	C158-V216 WeakPolarHBondContact O-CG1 3.16Å; C158-V216 WeakPolarHBondContact O-CG2 3.22Å; I160-V216 HydrophobicContact CD1-CG1 4.48Å; I160-V216 HydrophobicContact CG1-CG1 4.31Å; Q202-V216 VanDerWaalsContact CD-O 3.27Å; Q202-V216 PolarHBondContact NE2-O 3.38Å; Q202-V216 PolarHBondContact OE1-O 2.74Å; A205-V216 HydrophobicContact CB-CG2 4.04Å; N206-V216 PolarHBondContact OD1-N 2.95Å; K209-V216 HydrophobicContact CD-CG2 4.1Å; K209-V216 VanDerWaalsContact CE-CG2 3.4Å
217	S	64.3	Low	51.5	Low	65 Å²	65	110.3 Å²	110.3	46%	0.455	59%	0.585	S	S	.	*			trans	-104.9	133.9	179.9	45.8	0	0	0	0	110.9	P215 H219	P215-S217 PolarHBondContact O-N 2.89Å; S217-H219 PolarHBondContact O-ND1 3.35Å; S217-H219 PolarHBondContact OG-CE1 3.06Å
218	V	62.3	Low	48.7	Very low	62 Å²	62	111.9 Å²	111.9	38%	0.376	60%	0.601	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.5	116	173	-179.5	0	0	0	0	108.4	C162	C162-V218 WeakPolarHBondContact SG-CG1 3.26Å
219	H	68.6	Low	46.2	Very low	85 Å²	85	115 Å²	115	39%	0.394	62%	0.621	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95	120.7	-179.2	-63.9	66.4	0	0	0	110	I160 C162 S217	I160-H219 PolarHBondContact O-N 3.34Å; I160-H219 VanDerWaalsContact O-N 3.11Å; C162-H219 PolarHBondContact N-O 3.16Å; S217-H219 PolarHBondContact O-ND1 3.35Å; S217-H219 PolarHBondContact OG-CE1 3.06Å
220	N	48.9	Very low	43.9	Very low	131 Å²	131	120 Å²	120	70%	0.701	65%	0.651	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91	105.1	169.7	-73.9	-37.7	0	0	0	108.8	C162	C162-N220 WeakPolarHBondContact CB-OD1 3.13Å
221	L	43.6	Very low	42.7	Very low	98 Å²	98	123 Å²	123	51%	0.513	66%	0.66	S	S	.	*			trans	-101.2	111	177.1	-77.1	164.5	0	0	0	110.2	I161	I161-L221 HydrophobicContact CG2-CD1 3.74Å; I161-L221 HydrophobicContact CG2-CG 4.48Å
222	N	34.7	Very low	41.4	Very low	142 Å²	142	123.3 Å²	123.3	76%	0.759	66%	0.659	S	S	*	*			trans	-79.1	123.6	158.2	-82.4	-33.5	0	0	0	107.4	A224	N222-A224 PolarHBondContact O-N 2.78Å
223	L	33.1	Very low	40.6	Very low	131 Å²	131	120.9 Å²	120.9	69%	0.686	65%	0.651	S	S	*	*	S	Bend	trans	-71.8	79.8	177.8	-87.9	138.6	0	0	0	110.4	K165	K165-L223 HydrophobicContact CB-CD1 4.22Å; K165-L223 HydrophobicContact CD-CD1 4.04Å; K165-L223 HydrophobicContact CG-CD1 4.39Å
224	A	27.2	Very low	39.5	Very low	82 Å²	82	127 Å²	127	68%	0.678	67%	0.67	S	S	*	*			trans	-145	123.7	154.8	0	0	0	0	0	107.7	N222	N222-A224 PolarHBondContact O-N 2.78Å
225	E	27.9	Very low	38.4	Very low	194 Å²	194	125.1 Å²	125.1	91%	0.907	67%	0.672	S	S	*	*	S	Bend	trans	76.6	140.6	168.1	-67.8	178	162.3	0	0	120.4
226	N	28.6	Very low	38.1	Very low	162 Å²	162	125 Å²	125	87%	0.866	67%	0.669	S	S	*	*			trans	-68.3	135.3	-166.9	-61.5	-44	0	0	0	112.7
227	M	27.9	Very low	38.3	Very low	172 Å²	172	127.9 Å²	127.9	85%	0.847	68%	0.681	S	S	*	*			trans	-135.8	114.7	158.9	-79.3	-170.2	76.6	0	0	110.1
228	I	25.4	Very low	38.8	Very low	161 Å²	161	135.4 Å²	135.4	83%	0.826	70%	0.699	S	S	*	*			trans	-88.2	124	164.8	-61.6	170.9	0	0	0	105.8
229	V	27.9	Very low	39.8	Very low	110 Å²	110	134.3 Å²	134.3	67%	0.667	69%	0.688	S	S	*	*			trans	-104.8	113.2	175.8	178.4	0	0	0	0	108	I231	V229-I231 PolarHBondContact O-N 3.46Å
230	D	24.1	Very low	40.7	Very low	157 Å²	157	132.3 Å²	132.3	84%	0.84	68%	0.684	S	S	*	*			trans	-68.5	120.8	170.7	-95.1	-31.9	0	0	0	110.2
231	I	28.1	Very low	42.6	Very low	126 Å²	126	127.1 Å²	127.1	65%	0.646	66%	0.657	S	S	*	*			trans	-107.7	123.8	167.5	-57.5	173.2	0	0	0	106.9	V229 Q233	V229-I231 PolarHBondContact O-N 3.46Å; I231-Q233 HydrophobicContact CG2-CG 4.28Å; I231-Q233 PolarHBondContact O-N 2.55Å
232	P	23.1	Very low	44.9	Very low	130 Å²	130	129.1 Å²	129.1	84%	0.844	67%	0.668	S	S	*	*			trans	-76.5	98.6	178.6	30.8	-30.3	0	0	0	108.9
233	Q	30.2	Very low	47.7	Very low	153 Å²	153	123.9 Å²	123.9	72%	0.715	64%	0.64	S	S	*	*			trans	-101.9	130.5	164.5	-65.4	-159.8	-1.9	0	0	109.4	I231	I231-Q233 HydrophobicContact CG2-CG 4.28Å; I231-Q233 PolarHBondContact O-N 2.55Å
234	R	28.5	Very low	50.6	Low	232 Å²	232	118.1 Å²	118.1	88%	0.875	61%	0.61	S	S	*	*			trans	-45.1	137.7	165.1	-73.7	175.1	173.4	167.5	-2.5	108.5	V236	R234-V236 PolarHBondContact O-N 3.2Å
235	P	32.6	Very low	53.8	Low	130 Å²	130	120.8 Å²	120.8	84%	0.844	60%	0.602	S	S	*	*			trans	-66.4	102.7	-175.4	27.1	-31.4	0	0	0	108.6	K237	P235-K237 PolarHBondContact O-N 3.17Å; P235-K237 VanDerWaalsContact O-N 3.17Å
236	V	52.8	Low	57	Low	88 Å²	88	113.4 Å²	113.4	53%	0.533	57%	0.569	S	S	.	*			trans	-63.7	114.2	163.1	-175.5	0	0	0	0	104.7	R234 R238 H567	R234-V236 PolarHBondContact O-N 3.2Å; V236-R238 PolarHBondContact O-N 3.14Å; V236-H567 VanDerWaalsContact CG1-CE1 3.47Å; V236-H567 WeakPolarHBondContact CG1-CE1 3.36Å; V236-H567 WeakPolarHBondContact CG1-ND1 3.45Å
237	K	63.7	Low	60.1	Low	74 Å²	74	108.8 Å²	108.8	32%	0.322	54%	0.544	S	S	.	.			trans	-46	116.7	178	178.9	-174.9	172.2	-172.3	0	108.2	P235 Y239 D243 E265 H567	P235-K237 PolarHBondContact O-N 3.17Å; P235-K237 VanDerWaalsContact O-N 3.17Å; K237-Y239 HydrophobicContact CB-CE2 4.47Å; K237-Y239 HydrophobicContact CD-CE2 4.12Å; K237-Y239 HydrophobicContact CG-CE2 4.32Å; K237-Y239 PolarHBondContact O-N 2.96Å; K237-D243 VanDerWaalsContact CE-OD1 3.29Å; K237-D243 WeakPolarHBondContact CE-OD1 3.38Å; K237-D243 IonicContact NZ-OD1 3.05Å; K237-D243 PolarHBondContact NZ-OD1 3.44Å; K237-D243 VanDerWaalsContact NZ-OD1 3.14Å; K237-E265 IonicContact NZ-OE1 3.51Å; K237-E265 PolarHBondContact NZ-OE1 2.86Å; K237-E265 IonicContact NZ-OE2 3.82Å; K237-E265 PolarHBondContact NZ-OE2 3.38Å; K237-H567 PolarHBondContact O-NE2 3.02Å
238	R	74.6	Confident	63.2	Low	223 Å²	223	102.4 Å²	102.4	84%	0.842	51%	0.511	S	S	*	.			trans	-81.7	110.3	176.6	-72.8	-175	178.7	174	-1	108.2	V236	V236-R238 PolarHBondContact O-N 3.14Å
239	Y	83.3	Confident	66.4	Low	39 Å²	39	94.8 Å²	94.8	15%	0.153	47%	0.472	C	S	.	.			trans	-70.4	147.2	175.2	-74.9	-106.4	0	0	0	110.5	K237 D243 F244 Y309 H567	K237-Y239 HydrophobicContact CB-CE2 4.47Å; K237-Y239 HydrophobicContact CD-CE2 4.12Å; K237-Y239 HydrophobicContact CG-CE2 4.32Å; K237-Y239 PolarHBondContact O-N 2.96Å; Y239-D243 HydrophobicContact CD1-CB 4.07Å; Y239-F244 HydrophobicContact CD1-CE2 4.04Å; Y239-F244 AromaticContact CD1-CZ 3.91Å; Y239-F244 HydrophobicContact CD1-CZ 3.91Å; Y239-F244 HydrophobicContact CE1-CZ 4.5Å; Y239-Y309 HydrophobicContact CE1-CE1 4.17Å; Y239-Y309 HydrophobicContact CE1-CE2 4.17Å; Y239-Y309 AromaticContact CE1-CZ 3.95Å; Y239-Y309 HydrophobicContact CE2-CD1 4.44Å; Y239-Y309 HydrophobicContact CE2-CE1 4.25Å; Y239-Y309 AromaticContact CZ-CE1 3.89Å; Y239-H567 AromaticContact CD2-CD2 3.41Å; Y239-H567 VanDerWaalsContact CD2-CD2 3.41Å; Y239-H567 WeakPolarHBondContact CD2-CD2 3.26Å; Y239-H567 AromaticContact CD2-NE2 3.21Å; Y239-H567 WeakPolarHBondContact CD2-NE2 3.32Å; Y239-H567 AromaticContact CE2-CD2 3.37Å; Y239-H567 WeakPolarHBondContact CE2-CD2 3.36Å; Y239-H567 AromaticContact CE2-NE2 3.62Å
240	S	88.7	Confident	69.3	Low	43 Å²	43	90.8 Å²	90.8	30%	0.301	45%	0.447	S	S	.	.			trans	-135.5	170.4	177.6	70.4	0	0	0	0	109.4	N242 D243 F244	S240-N242 PolarHBondContact O-N 2.87Å; S240-N242 VanDerWaalsContact O-N 3.16Å; S240-N242 PolarHBondContact OG-N 2.85Å; S240-D243 PolarHBondContact N-OD2 2.66Å; S240-D243 WeakPolarHBondContact O-CB 3.41Å; S240-D243 PolarHBondContact O-N 2.58Å; S240-D243 VanDerWaalsContact O-N 3.12Å; S240-D243 PolarHBondContact OG-OD2 3.14Å; S240-F244 VanDerWaalsContact O-CD2 3.32Å; S240-F244 WeakPolarHBondContact O-CD2 3.41Å
241	V	88.6	Confident	72.3	Confident	22 Å²	22	84 Å²	84	13%	0.133	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-57.6	-30.1	173.5	-177.5	0	0	0	0	111.4	D243 F244 L246 F311 T313 L542	V241-D243 PolarHBondContact O-N 3.22Å; V241-F244 PolarHBondContact O-N 3.05Å; V241-F244 VanDerWaalsContact O-O 3.07Å; V241-L246 HydrophobicContact CG1-CD1 4.29Å; V241-F311 HydrophobicContact CG2-CE2 3.85Å; V241-F311 HydrophobicContact CG2-CZ 4.3Å; V241-T313 HydrophobicContact CG2-CG2 3.89Å; V241-L542 HydrophobicContact CG1-CD1 4.35Å
242	N	91.2	Very high	74.8	Confident	140 Å²	140	85.8 Å²	85.8	75%	0.749	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-70.4	-15.5	-178.6	-62.3	-25.5	0	0	0	113.8	S240 F244 N264	S240-N242 PolarHBondContact O-N 2.87Å; S240-N242 VanDerWaalsContact O-N 3.16Å; S240-N242 PolarHBondContact OG-N 2.85Å; N242-F244 PolarHBondContact O-N 2.97Å; N242-N264 PolarHBondContact O-ND2 3Å
243	D	93.1	Very high	77.2	Confident	32 Å²	32	82 Å²	82	17%	0.171	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-74.3	-6.4	172.4	-64.5	-85	0	0	0	112.3	K237 Y239 S240 V241 N264	K237-D243 VanDerWaalsContact CE-OD1 3.29Å; K237-D243 WeakPolarHBondContact CE-OD1 3.38Å; K237-D243 IonicContact NZ-OD1 3.05Å; K237-D243 PolarHBondContact NZ-OD1 3.44Å; K237-D243 VanDerWaalsContact NZ-OD1 3.14Å; Y239-D243 HydrophobicContact CD1-CB 4.07Å; S240-D243 PolarHBondContact N-OD2 2.66Å; S240-D243 WeakPolarHBondContact O-CB 3.41Å; S240-D243 PolarHBondContact O-N 2.58Å; S240-D243 VanDerWaalsContact O-N 3.12Å; S240-D243 PolarHBondContact OG-OD2 3.14Å; V241-D243 PolarHBondContact O-N 3.22Å; D243-N264 WeakPolarHBondContact O-CB 3.45Å; D243-N264 PolarHBondContact O-N 3.47Å; D243-N264 PolarHBondContact O-ND2 3.45Å
244	F	94.9	Very high	79.2	Confident	10 Å²	10	79 Å²	79	4%	0.044	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	136.2	-176.3	-55.7	-90.4	0	0	0	111.7	Y239 S240 V241 N242 C261 Q262 E263 Y270 M272 Y309 F311 V320	Y239-F244 HydrophobicContact CD1-CE2 4.04Å; Y239-F244 AromaticContact CD1-CZ 3.91Å; Y239-F244 HydrophobicContact CD1-CZ 3.91Å; Y239-F244 HydrophobicContact CE1-CZ 4.5Å; S240-F244 VanDerWaalsContact O-CD2 3.32Å; S240-F244 WeakPolarHBondContact O-CD2 3.41Å; V241-F244 PolarHBondContact O-N 3.05Å; V241-F244 VanDerWaalsContact O-O 3.07Å; N242-F244 PolarHBondContact O-N 2.97Å; F244-C261 HydrophobicContact CB-CB 4.11Å; F244-Q262 CarbonylContact C-O 3.58Å; F244-Q262 WeakPolarHBondContact CA-O 3.08Å; F244-E263 HydrophobicContact CD1-CB 4.06Å; F244-E263 HydrophobicContact CE1-CB 3.95Å; F244-E263 HydrophobicContact CE1-CG 4.27Å; F244-Y270 HydrophobicContact CE1-CD2 4.31Å; F244-M272 HydrophobicContact CB-CE 3.76Å; F244-M272 HydrophobicContact CD1-CE 4.09Å; F244-M272 HydrophobicContact CD2-CE 3.4Å; F244-M272 HydrophobicContact CE2-CE 4Å; F244-M272 HydrophobicContact CG-CE 3.46Å; F244-M272 VanDerWaalsContact CG-CE 3.46Å; F244-Y309 HydrophobicContact CE1-CD2 4.1Å; F244-Y309 HydrophobicContact CE1-CE2 4.1Å; F244-Y309 AromaticContact CZ-CD2 3.62Å; F244-Y309 HydrophobicContact CZ-CD2 3.62Å; F244-Y309 AromaticContact CZ-CE2 3.9Å; F244-Y309 HydrophobicContact CZ-CE2 3.9Å; F244-F311 HydrophobicContact CD2-CZ 4.44Å; F244-F311 AromaticContact CE2-CE1 3.84Å; F244-F311 HydrophobicContact CE2-CE1 3.84Å; F244-F311 HydrophobicContact CE2-CZ 4.17Å; F244-V320 HydrophobicContact CE1-CG1 3.94Å; F244-V320 HydrophobicContact CE1-CG2 4.29Å; F244-V320 HydrophobicContact CE2-CG2 4.22Å; F244-V320 HydrophobicContact CZ-CG1 4.27Å; F244-V320 HydrophobicContact CZ-CG2 3.92Å
245	R	95.4	Very high	81.6	Confident	138 Å²	138	70 Å²	70	52%	0.521	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	112.7	165.6	-175.6	171.5	68.1	168.8	7	109.2	L247 C261 Q262 N264	R245-L247 HydrophobicContact CG-CD2 4.02Å; R245-C261 CarbonylContact O-C 3.59Å; R245-C261 VanDerWaalsContact O-CA 3.24Å; R245-C261 WeakPolarHBondContact O-CA 3.48Å; R245-Q262 PolarHBondContact N-O 2.88Å; R245-Q262 PolarHBondContact O-N 3.34Å; R245-N264 PolarHBondContact N-OD1 3.27Å
246	L	95	Very high	84	Confident	39 Å²	39	64.7 Å²	64.7	20%	0.204	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	131.3	175.1	-55.1	-175.3	0	0	0	110	V241 I259 C261 M272 V540	V241-L246 HydrophobicContact CG1-CD1 4.29Å; L246-I259 HydrophobicContact CB-CG2 4.05Å; L246-I259 HydrophobicContact CD1-CD1 4.26Å; L246-I259 HydrophobicContact CD2-CG2 4.1Å; L246-C261 HydrophobicContact CD2-CB 3.89Å; L246-M272 HydrophobicContact CD2-CE 4.46Å; L246-M272 HydrophobicContact CD2-SD 4.24Å; L246-V540 HydrophobicContact CB-CB 4.15Å; L246-V540 HydrophobicContact CB-CG2 4.33Å
247	L	92.7	Very high	85.7	Confident	65 Å²	65	62.3 Å²	62.3	34%	0.34	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	-54.7	-170.5	-61.4	172.7	0	0	0	113.2	R245 L260 Q262 F269	R245-L247 HydrophobicContact CG-CD2 4.02Å; L247-L260 WeakPolarHBondContact CA-O 3.41Å; L247-L260 HydrophobicContact CB-CG 4.36Å; L247-L260 WeakPolarHBondContact CB-O 3.47Å; L247-L260 HydrophobicContact CD1-CD2 4.46Å; L247-L260 HydrophobicContact CD1-CG 4.26Å; L247-L260 PolarHBondContact N-O 2.67Å; L247-Q262 HydrophobicContact CD1-CB 4.05Å; L247-F269 HydrophobicContact CD1-CD1 3.84Å; L247-F269 HydrophobicContact CD1-CE1 3.5Å
248	K	92.6	Very high	87	Confident	39 Å²	39	60.7 Å²	60.7	17%	0.17	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	139.8	-171.8	-178.3	159.4	169.7	-176.9	0	111.8	L250 I259 L260 T528	K248-L250 PolarHBondContact O-N 2.93Å; K248-I259 CarbonylContact O-C 3.48Å; K248-I259 WeakPolarHBondContact O-CA 3.23Å; K248-L260 HydrophobicContact CB-CB 4.4Å; K248-L260 PolarHBondContact N-O 3.13Å; K248-L260 WeakPolarHBondContact O-CB 2.91Å; K248-L260 PolarHBondContact O-N 3.2Å; K248-T528 HydrophobicContact CD-CG2 4.05Å; K248-T528 PolarHBondContact NZ-OG1 3.29Å
249	V	93.2	Very high	87.9	Confident	1 Å²	1	50 Å²	50	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	129.4	172.1	179	0	0	0	0	109	I259 F535 T538 V540	V249-I259 HydrophobicContact CG2-CG1 4.42Å; V249-F535 HydrophobicContact CG1-CB 4.37Å; V249-F535 HydrophobicContact CG1-CD1 4.22Å; V249-F535 HydrophobicContact CG1-CG 4.47Å; V249-F535 WeakPolarHBondContact O-CB 3.32Å; V249-T538 HydrophobicContact CB-CG2 4.19Å; V249-T538 HydrophobicContact CG1-CG2 4.26Å; V249-T538 HydrophobicContact CG2-CG2 3.81Å; V249-V540 HydrophobicContact CG2-CG1 4.33Å
250	L	89.4	Confident	88.5	Confident	26 Å²	26	48.4 Å²	48.4	14%	0.136	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-30.2	177.1	-62.7	177.7	0	0	0	111.7	K248 V258 L260 A271 Y323 V531 F535	K248-L250 PolarHBondContact O-N 2.93Å; L250-V258 HydrophobicContact CB-CB 4.39Å; L250-V258 HydrophobicContact CB-CG1 4.2Å; L250-V258 HydrophobicContact CD1-CG1 4.22Å; L250-V258 PolarHBondContact N-O 3.45Å; L250-L260 HydrophobicContact CD1-CB 4.02Å; L250-L260 HydrophobicContact CD2-CB 3.98Å; L250-L260 HydrophobicContact CG-CB 3.96Å; L250-A271 HydrophobicContact CD1-CB 3.95Å; L250-Y323 HydrophobicContact CD1-CD2 3.69Å; L250-Y323 HydrophobicContact CD1-CE2 3.56Å; L250-Y323 HydrophobicContact CD2-CE2 3.82Å; L250-Y323 HydrophobicContact CG-CE2 4.35Å; L250-V531 HydrophobicContact CD2-CG1 4.39Å; L250-V531 HydrophobicContact CD2-CG2 3.45Å; L250-V531 VanDerWaalsContact CD2-CG2 3.45Å; L250-F535 VanDerWaalsContact O-CD2 3.3Å; L250-F535 WeakPolarHBondContact O-CD2 3.39Å
251	G	86.3	Confident	88.8	Confident	15 Å²	15	46.3 Å²	46.3	16%	0.155	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.4	162.3	178.3	0	0	0	0	0	112.1	K257 V258	G251-K257 WeakPolarHBondContact O-CA 3.5Å; G251-V258 PolarHBondContact N-O 3.25Å; G251-V258 PolarHBondContact O-N 3.45Å
252	K	81.4	Confident	89.1	Confident	162 Å²	162	46.9 Å²	46.9	70%	0.704	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-133.2	129.8	178.5	-170.8	-179.4	176.9	-173.5	0	109.6	F535	K252-F535 HydrophobicContact CB-CE1 4.13Å
253	G	73.6	Confident	89.3	Confident	50 Å²	50	40.4 Å²	40.4	52%	0.515	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	-179.6	176.4	0	0	0	0	0	111.9	F255 G256	G253-F255 VanDerWaalsContact C-N 3.26Å; G253-F255 PolarHBondContact O-N 2.98Å; G253-G256 PolarHBondContact N-O 3.4Å; G253-G256 PolarHBondContact O-N 3.45Å
254	T	72.3	Confident	89.3	Confident	92 Å²	92	43.4 Å²	43.4	56%	0.564	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-39.7	-178.5	-45.2	0	0	0	0	112.7
255	F	78	Confident	89.1	Confident	41 Å²	41	49.1 Å²	49.1	18%	0.18	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-8.6	-171.9	-48.2	-69	0	0	0	113.8	G253 L275 K276 V279 L280 K283 E285	G253-F255 VanDerWaalsContact C-N 3.26Å; G253-F255 PolarHBondContact O-N 2.98Å; F255-L275 HydrophobicContact CB-CD2 4.08Å; F255-L275 WeakPolarHBondContact O-CA 3.4Å; F255-K276 PolarHBondContact O-N 3.49Å; F255-V279 HydrophobicContact CD1-CG1 4.03Å; F255-L280 HydrophobicContact CB-CD2 3.99Å; F255-L280 HydrophobicContact CD1-CD2 3.96Å; F255-L280 HydrophobicContact CG-CD2 3.95Å; F255-K283 HydrophobicContact CE1-CB 3.82Å; F255-K283 HydrophobicContact CE1-CG 3.97Å; F255-E285 HydrophobicContact CE1-CB 4.18Å; F255-E285 HydrophobicContact CE1-CG 3.67Å; F255-E285 HydrophobicContact CE2-CG 4.42Å; F255-E285 HydrophobicContact CZ-CB 4.37Å; F255-E285 HydrophobicContact CZ-CG 3.59Å
256	G	83.6	Confident	88.9	Confident	20 Å²	20	44.7 Å²	44.7	21%	0.206	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.7	-162.3	-167.3	0	0	0	0	0	115.6	G253 I274	G253-G256 PolarHBondContact N-O 3.4Å; G253-G256 PolarHBondContact O-N 3.45Å; G256-I274 WeakPolarHBondContact CA-O 3.15Å
257	K	87.9	Confident	88.8	Confident	37 Å²	37	44.2 Å²	44.2	16%	0.161	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	152.6	-179.1	54.1	178.1	169	167.7	0	111.4	G251 I259 I274 V540 D541	G251-K257 WeakPolarHBondContact O-CA 3.5Å; K257-I259 HydrophobicContact CD-CD1 3.75Å; K257-I259 HydrophobicContact CD-CG1 4.07Å; K257-I259 HydrophobicContact CG-CD1 4.12Å; K257-I259 HydrophobicContact CG-CG1 4.13Å; K257-I274 PolarHBondContact N-O 2.88Å; K257-I274 VanDerWaalsContact N-O 3.08Å; K257-I274 PolarHBondContact O-N 3.28Å; K257-V540 VanDerWaalsContact NZ-C 3.27Å; K257-V540 PolarHBondContact NZ-O 3.41Å; K257-D541 VanDerWaalsContact NZ-C 3.32Å; K257-D541 PolarHBondContact NZ-O 3.26Å
258	V	91.5	Very high	88.7	Confident	40 Å²	40	43.4 Å²	43.4	24%	0.242	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	126.5	172.3	-173.7	0	0	0	0	107.7	L250 G251 A271 M272 K273	L250-V258 HydrophobicContact CB-CB 4.39Å; L250-V258 HydrophobicContact CB-CG1 4.2Å; L250-V258 HydrophobicContact CD1-CG1 4.22Å; L250-V258 PolarHBondContact N-O 3.45Å; G251-V258 PolarHBondContact N-O 3.25Å; G251-V258 PolarHBondContact O-N 3.45Å; V258-A271 HydrophobicContact CG1-CB 4.04Å; V258-M272 CarbonylContact C-O 3.58Å; V258-M272 WeakPolarHBondContact CA-O 3.31Å; V258-K273 HydrophobicContact CG2-CB 4.25Å; V258-K273 HydrophobicContact CG2-CG 4.14Å
259	I	93.9	Very high	88.8	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	130	-174.7	-59.2	-179	0	0	0	109.4	L246 K248 V249 K257 C261 M272 I274 V540	L246-I259 HydrophobicContact CB-CG2 4.05Å; L246-I259 HydrophobicContact CD1-CD1 4.26Å; L246-I259 HydrophobicContact CD2-CG2 4.1Å; K248-I259 CarbonylContact O-C 3.48Å; K248-I259 WeakPolarHBondContact O-CA 3.23Å; V249-I259 HydrophobicContact CG2-CG1 4.42Å; K257-I259 HydrophobicContact CD-CD1 3.75Å; K257-I259 HydrophobicContact CD-CG1 4.07Å; K257-I259 HydrophobicContact CG-CD1 4.12Å; K257-I259 HydrophobicContact CG-CG1 4.13Å; I259-C261 PolarHBondContact O-N 2.87Å; I259-M272 PolarHBondContact N-O 3.32Å; I259-M272 PolarHBondContact O-N 3.48Å; I259-I274 HydrophobicContact CD1-CD1 3.84Å; I259-V540 HydrophobicContact CG2-CG1 4.21Å
260	L	95	Very high	88.9	Confident	4 Å²	4	43 Å²	43	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	122.8	163.4	177.8	61.9	0	0	0	108.7	L247 K248 L250 F269 Y270 Y323 T528	L247-L260 WeakPolarHBondContact CA-O 3.41Å; L247-L260 HydrophobicContact CB-CG 4.36Å; L247-L260 WeakPolarHBondContact CB-O 3.47Å; L247-L260 HydrophobicContact CD1-CD2 4.46Å; L247-L260 HydrophobicContact CD1-CG 4.26Å; L247-L260 PolarHBondContact N-O 2.67Å; K248-L260 HydrophobicContact CB-CB 4.4Å; K248-L260 PolarHBondContact N-O 3.13Å; K248-L260 WeakPolarHBondContact O-CB 2.91Å; K248-L260 PolarHBondContact O-N 3.2Å; L250-L260 HydrophobicContact CD1-CB 4.02Å; L250-L260 HydrophobicContact CD2-CB 3.98Å; L250-L260 HydrophobicContact CG-CB 3.96Å; L260-F269 HydrophobicContact CD1-CB 4.19Å; L260-F269 HydrophobicContact CD1-CD1 4.2Å; L260-Y270 WeakPolarHBondContact CA-O 3.05Å; L260-Y323 HydrophobicContact CD1-CD1 3.58Å; L260-Y323 HydrophobicContact CD1-CD2 4.04Å; L260-Y323 HydrophobicContact CD1-CE1 3.78Å; L260-Y323 HydrophobicContact CD1-CE2 4.26Å; L260-Y323 HydrophobicContact CD1-CG 3.71Å; L260-Y323 HydrophobicContact CD2-CE1 4.42Å; L260-T528 HydrophobicContact CD2-CG2 3.56Å
261	C	95.5	Very high	89.1	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	156.3	178.4	69.6	0	0	0	0	111.3	F244 R245 L246 I259 F269 Y270	F244-C261 HydrophobicContact CB-CB 4.11Å; R245-C261 CarbonylContact O-C 3.59Å; R245-C261 VanDerWaalsContact O-CA 3.24Å; R245-C261 WeakPolarHBondContact O-CA 3.48Å; L246-C261 HydrophobicContact CD2-CB 3.89Å; I259-C261 PolarHBondContact O-N 2.87Å; C261-F269 WeakPolarHBondContact O-CA 3.41Å; C261-Y270 PolarHBondContact N-O 3.27Å; C261-Y270 PolarHBondContact O-N 3.16Å
262	Q	95.3	Very high	89.5	Confident	34 Å²	34	41.5 Å²	41.5	16%	0.159	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127	174.2	-170.6	180	25.2	0	0	109.7	F244 R245 L247 N264 G267 H268 F269	F244-Q262 CarbonylContact C-O 3.58Å; F244-Q262 WeakPolarHBondContact CA-O 3.08Å; R245-Q262 PolarHBondContact N-O 2.88Å; R245-Q262 PolarHBondContact O-N 3.34Å; L247-Q262 HydrophobicContact CD1-CB 4.05Å; Q262-N264 PolarHBondContact O-N 3.27Å; Q262-G267 WeakPolarHBondContact CG-O 3.33Å; Q262-G267 PolarHBondContact NE2-O 2.87Å; Q262-H268 CarbonylContact C-O 3.46Å; Q262-H268 WeakPolarHBondContact CA-O 3.32Å; Q262-F269 HydrophobicContact CB-CD1 4.13Å; Q262-F269 HydrophobicContact CB-CE1 4.02Å; Q262-F269 HydrophobicContact CG-CD1 4.34Å; Q262-F269 HydrophobicContact CG-CE1 4.08Å; Q262-F269 HydrophobicContact CG-CZ 4.23Å
263	E	95.1	Very high	90	Very high	3 Å²	3	35.1 Å²	35.1	1%	0.014	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	124.9	174.9	177.1	176.2	-140.3	0	0	110	F244 E265 T266 G267 H268 Y270 Y309	F244-E263 HydrophobicContact CD1-CB 4.06Å; F244-E263 HydrophobicContact CE1-CB 3.95Å; F244-E263 HydrophobicContact CE1-CG 4.27Å; E263-E265 VanDerWaalsContact C-N 3.35Å; E263-E265 PolarHBondContact O-N 3.05Å; E263-T266 WeakPolarHBondContact CB-OG1 3.42Å; E263-T266 VanDerWaalsContact CD-OG1 3.28Å; E263-T266 HydrophobicContact CG-CG2 4.21Å; E263-T266 WeakPolarHBondContact CG-OG1 3.46Å; E263-T266 PolarHBondContact O-N 3.34Å; E263-T266 WeakPolarHBondContact OE2-CB 3.45Å; E263-T266 WeakPolarHBondContact OE2-CG2 3.22Å; E263-T266 PolarHBondContact OE2-OG1 3.4Å; E263-G267 VanDerWaalsContact O-CA 3.31Å; E263-G267 WeakPolarHBondContact O-CA 3.24Å; E263-G267 PolarHBondContact O-N 3.04Å; E263-H268 PolarHBondContact N-O 3.39Å; E263-Y270 HydrophobicContact CB-CD2 4.2Å; E263-Y270 HydrophobicContact CB-CE2 3.8Å; E263-Y270 WeakPolarHBondContact OE2-CE2 3.14Å; E263-Y270 PolarHBondContact OE2-OH 2.88Å; E263-Y309 WeakPolarHBondContact OE1-CE2 3.31Å; E263-Y309 PolarHBondContact OE1-OH 3.42Å
264	N	93.6	Very high	90.8	Very high	96 Å²	96	32.9 Å²	32.9	51%	0.513	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-37.9	-170.9	-69.7	-24.6	0	0	0	112.9	N242 D243 R245 Q262	N242-N264 PolarHBondContact O-ND2 3Å; D243-N264 WeakPolarHBondContact O-CB 3.45Å; D243-N264 PolarHBondContact O-N 3.47Å; D243-N264 PolarHBondContact O-ND2 3.45Å; R245-N264 PolarHBondContact N-OD1 3.27Å; Q262-N264 PolarHBondContact O-N 3.27Å
265	E	90.6	Very high	91.6	Very high	130 Å²	130	29 Å²	29	61%	0.607	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-35.4	-176.9	-70.8	-176.4	164.4	0	0	113	K237 E263	K237-E265 IonicContact NZ-OE1 3.51Å; K237-E265 PolarHBondContact NZ-OE1 2.86Å; K237-E265 IonicContact NZ-OE2 3.82Å; K237-E265 PolarHBondContact NZ-OE2 3.38Å; E263-E265 VanDerWaalsContact C-N 3.35Å; E263-E265 PolarHBondContact O-N 3.05Å
266	T	90.8	Very high	92	Very high	44 Å²	44	29.9 Å²	29.9	27%	0.27	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108	-20.4	-169.6	68.5	0	0	0	0	113.2	E263 H268 R570	E263-T266 WeakPolarHBondContact CB-OG1 3.42Å; E263-T266 VanDerWaalsContact CD-OG1 3.28Å; E263-T266 HydrophobicContact CG-CG2 4.21Å; E263-T266 WeakPolarHBondContact CG-OG1 3.46Å; E263-T266 PolarHBondContact O-N 3.34Å; E263-T266 WeakPolarHBondContact OE2-CB 3.45Å; E263-T266 WeakPolarHBondContact OE2-CG2 3.22Å; E263-T266 PolarHBondContact OE2-OG1 3.4Å; T266-H268 PolarHBondContact O-N 3.46Å; T266-H268 WeakPolarHBondContact OG1-CB 3.48Å; T266-H268 PolarHBondContact OG1-N 2.95Å; T266-H268 VanDerWaalsContact OG1-N 3.13Å; T266-R570 VanDerWaalsContact CB-NH2 3.26Å
267	G	91.7	Very high	91.9	Very high	30 Å²	30	29 Å²	29	31%	0.309	15%	0.152	S	C	.	.			trans	71.7	6.3	-170.4	0	0	0	0	0	114.2	Q262 E263	Q262-G267 WeakPolarHBondContact CG-O 3.33Å; Q262-G267 PolarHBondContact NE2-O 2.87Å; E263-G267 VanDerWaalsContact O-CA 3.31Å; E263-G267 WeakPolarHBondContact O-CA 3.24Å; E263-G267 PolarHBondContact O-N 3.04Å
268	H	91.8	Very high	91.5	Very high	48 Å²	48	28.7 Å²	28.7	22%	0.222	15%	0.154	C	C	.	.			trans	-80.5	146.7	-175.4	-149.2	56.4	0	0	0	112.1	Q262 E263 T266 Y270 E525	Q262-H268 CarbonylContact C-O 3.46Å; Q262-H268 WeakPolarHBondContact CA-O 3.32Å; E263-H268 PolarHBondContact N-O 3.39Å; T266-H268 PolarHBondContact O-N 3.46Å; T266-H268 WeakPolarHBondContact OG1-CB 3.48Å; T266-H268 PolarHBondContact OG1-N 2.95Å; T266-H268 VanDerWaalsContact OG1-N 3.13Å; H268-Y270 HydrophobicContact CB-CE2 3.97Å; H268-Y270 AromaticContact CD2-CE1 3.95Å; H268-Y270 AromaticContact CD2-CZ 3.69Å; H268-E525 IonicContact CE1-OE2 3.06Å; H268-E525 IonicContact ND1-OE2 3.91Å
269	F	93.9	Very high	90.9	Very high	31 Å²	31	28.2 Å²	28.2	14%	0.136	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	139.7	-176.4	-65.5	-87.4	0	0	0	111.6	L247 L260 C261 Q262 E525 K526	L247-F269 HydrophobicContact CD1-CD1 3.84Å; L247-F269 HydrophobicContact CD1-CE1 3.5Å; L260-F269 HydrophobicContact CD1-CB 4.19Å; L260-F269 HydrophobicContact CD1-CD1 4.2Å; C261-F269 WeakPolarHBondContact O-CA 3.41Å; Q262-F269 HydrophobicContact CB-CD1 4.13Å; Q262-F269 HydrophobicContact CB-CE1 4.02Å; Q262-F269 HydrophobicContact CG-CD1 4.34Å; Q262-F269 HydrophobicContact CG-CE1 4.08Å; Q262-F269 HydrophobicContact CG-CZ 4.23Å; F269-E525 HydrophobicContact CD2-CB 4.14Å; F269-K526 HydrophobicContact CD1-CB 3.98Å; F269-K526 HydrophobicContact CD2-CB 4.28Å; F269-K526 HydrophobicContact CE1-CB 3.57Å; F269-K526 HydrophobicContact CE2-CB 3.92Å; F269-K526 HydrophobicContact CG-CB 4.33Å; F269-K526 HydrophobicContact CZ-CB 3.56Å; F269-K526 HydrophobicContact CZ-CD 4.25Å; F269-K526 HydrophobicContact CZ-CG 4.28Å
270	Y	94.9	Very high	90.2	Very high	1 Å²	1	28.2 Å²	28.2	0%	0.004	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	159.2	-179.1	-61.7	-76.1	0	0	0	111.2	F244 L260 C261 E263 H268 R308 Y309 V320 M321 L573	F244-Y270 HydrophobicContact CE1-CD2 4.31Å; L260-Y270 WeakPolarHBondContact CA-O 3.05Å; C261-Y270 PolarHBondContact N-O 3.27Å; C261-Y270 PolarHBondContact O-N 3.16Å; E263-Y270 HydrophobicContact CB-CD2 4.2Å; E263-Y270 HydrophobicContact CB-CE2 3.8Å; E263-Y270 WeakPolarHBondContact OE2-CE2 3.14Å; E263-Y270 PolarHBondContact OE2-OH 2.88Å; H268-Y270 HydrophobicContact CB-CE2 3.97Å; H268-Y270 AromaticContact CD2-CE1 3.95Å; H268-Y270 AromaticContact CD2-CZ 3.69Å; Y270-R308 HydrophobicContact CD1-CB 4.19Å; Y270-R308 HydrophobicContact CD1-CG 4.33Å; Y270-R308 HydrophobicContact CE1-CB 3.88Å; Y270-R308 HydrophobicContact CE1-CG 3.6Å; Y270-R308 PolarHBondContact OH-NE 3.25Å; Y270-Y309 HydrophobicContact CE2-CE2 4.38Å; Y270-V320 VanDerWaalsContact CB-CG1 3.41Å; Y270-V320 HydrophobicContact CD1-CG1 4.09Å; Y270-V320 HydrophobicContact CD2-CG1 4Å; Y270-V320 HydrophobicContact CG-CG1 3.58Å; Y270-M321 WeakPolarHBondContact CA-O 3.47Å; Y270-M321 WeakPolarHBondContact CB-O 3.32Å; Y270-L573 HydrophobicContact CE1-CD1 4.22Å
271	A	94.5	Very high	89.3	Confident	9 Å²	9	30.4 Å²	30.4	7%	0.074	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	117.7	166.5	0	0	0	0	0	109.4	L250 V258 M321 Y323	L250-A271 HydrophobicContact CD1-CB 3.95Å; V258-A271 HydrophobicContact CG1-CB 4.04Å; A271-M321 PolarHBondContact N-O 2.86Å; A271-M321 PolarHBondContact O-N 3.36Å; A271-Y323 HydrophobicContact CB-CD2 4.39Å
272	M	94.5	Very high	88.3	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	108.6	177.2	-170.7	-176.3	-68.8	0	0	110.5	F244 L246 V258 I259 I274 F311 F319 V320	F244-M272 HydrophobicContact CB-CE 3.76Å; F244-M272 HydrophobicContact CD1-CE 4.09Å; F244-M272 HydrophobicContact CD2-CE 3.4Å; F244-M272 HydrophobicContact CE2-CE 4Å; F244-M272 HydrophobicContact CG-CE 3.46Å; F244-M272 VanDerWaalsContact CG-CE 3.46Å; L246-M272 HydrophobicContact CD2-CE 4.46Å; L246-M272 HydrophobicContact CD2-SD 4.24Å; V258-M272 CarbonylContact C-O 3.58Å; V258-M272 WeakPolarHBondContact CA-O 3.31Å; I259-M272 PolarHBondContact N-O 3.32Å; I259-M272 PolarHBondContact O-N 3.48Å; M272-I274 HydrophobicContact CB-CG1 4.47Å; M272-I274 HydrophobicContact CG-CD1 4.13Å; M272-I274 HydrophobicContact CG-CG1 3.68Å; M272-I274 HydrophobicContact SD-CD1 3.7Å; M272-I274 HydrophobicContact SD-CG1 3.82Å; M272-F311 HydrophobicContact CE-CZ 4.07Å; M272-F311 HydrophobicContact SD-CZ 4.39Å; M272-F319 CarbonylContact C-O 3.6Å; M272-F319 VanDerWaalsContact CA-O 3.25Å; M272-F319 WeakPolarHBondContact CA-O 3.47Å; M272-V320 HydrophobicContact CE-CG2 3.8Å; M272-V320 HydrophobicContact CG-CG2 4.17Å
273	K	91.6	Very high	87.3	Confident	28 Å²	28	40.5 Å²	40.5	12%	0.122	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	113.8	170.2	-171.3	-177.1	-162.9	-177	0	108.1	V258 L275 E292 C318 F319 M321 D385	V258-K273 HydrophobicContact CG2-CB 4.25Å; V258-K273 HydrophobicContact CG2-CG 4.14Å; K273-L275 HydrophobicContact CD-CD2 4.34Å; K273-L275 HydrophobicContact CG-CD2 3.88Å; K273-L275 HydrophobicContact CG-CG 4.27Å; K273-E292 IonicContact NZ-OE1 2.68Å; K273-E292 PolarHBondContact NZ-OE1 3.22Å; K273-E292 IonicContact NZ-OE2 3.7Å; K273-E292 PolarHBondContact NZ-OE2 3.19Å; K273-C318 WeakPolarHBondContact O-CA 3.34Å; K273-F319 HydrophobicContact CB-CB 4.22Å; K273-F319 HydrophobicContact CB-CD2 4.37Å; K273-F319 HydrophobicContact CD-CD2 4.26Å; K273-F319 PolarHBondContact N-O 3.32Å; K273-F319 PolarHBondContact O-N 3.25Å; K273-M321 HydrophobicContact CB-CE 3.78Å; K273-D385 IonicContact NZ-OD1 3.78Å; K273-D385 PolarHBondContact NZ-OD1 3.24Å
274	I	91.4	Very high	86.5	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.015	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	111.9	-177	-53.7	176.7	0	0	0	108.4	G256 K257 I259 M272 Y316 L317 L542	G256-I274 WeakPolarHBondContact CA-O 3.15Å; K257-I274 PolarHBondContact N-O 2.88Å; K257-I274 VanDerWaalsContact N-O 3.08Å; K257-I274 PolarHBondContact O-N 3.28Å; I259-I274 HydrophobicContact CD1-CD1 3.84Å; M272-I274 HydrophobicContact CB-CG1 4.47Å; M272-I274 HydrophobicContact CG-CD1 4.13Å; M272-I274 HydrophobicContact CG-CG1 3.68Å; M272-I274 HydrophobicContact SD-CD1 3.7Å; M272-I274 HydrophobicContact SD-CG1 3.82Å; I274-Y316 HydrophobicContact CG2-CD1 3.55Å; I274-Y316 HydrophobicContact CG2-CE1 4.21Å; I274-Y316 HydrophobicContact CG2-CG 3.88Å; I274-L317 WeakPolarHBondContact CA-O 3.28Å; I274-L542 HydrophobicContact CD1-CD2 3.71Å; I274-L542 HydrophobicContact CG2-CD2 4.17Å
275	L	88.8	Confident	85.7	Confident	9 Å²	9	44.9 Å²	44.9	5%	0.047	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	135.7	-176.2	-51.5	178.7	0	0	0	110.7	F255 K273 L280 T289 Y316 L317 F319	F255-L275 HydrophobicContact CB-CD2 4.08Å; F255-L275 WeakPolarHBondContact O-CA 3.4Å; K273-L275 HydrophobicContact CD-CD2 4.34Å; K273-L275 HydrophobicContact CG-CD2 3.88Å; K273-L275 HydrophobicContact CG-CG 4.27Å; L275-L280 HydrophobicContact CB-CD1 3.96Å; L275-L280 HydrophobicContact CD1-CD1 4.3Å; L275-T289 HydrophobicContact CD1-CG2 3.75Å; L275-Y316 CarbonylContact O-C 3.38Å; L275-Y316 WeakPolarHBondContact O-CA 3.36Å; L275-L317 HydrophobicContact CB-CB 4.35Å; L275-L317 PolarHBondContact N-O 2.99Å; L275-L317 PolarHBondContact O-N 2.88Å; L275-F319 HydrophobicContact CD1-CD2 4.36Å; L275-F319 HydrophobicContact CD1-CE2 3.78Å
276	K	85.4	Confident	85.2	Confident	61 Å²	61	39.5 Å²	39.5	27%	0.265	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	124	176.4	-76.8	-176.1	179.2	-174.5	0	110.8	F255 S278 V279 L280 Y316 T543	F255-K276 PolarHBondContact O-N 3.49Å; K276-S278 PolarHBondContact O-N 3.46Å; K276-V279 HydrophobicContact CB-CB 4.09Å; K276-V279 HydrophobicContact CB-CG2 3.69Å; K276-V279 HydrophobicContact CD-CG2 4.07Å; K276-V279 HydrophobicContact CG-CG2 4.5Å; K276-V279 PolarHBondContact O-N 3.36Å; K276-L280 WeakPolarHBondContact O-CG 3.31Å; K276-L280 PolarHBondContact O-N 2.73Å; K276-L280 VanDerWaalsContact O-N 3.1Å; K276-Y316 HydrophobicContact CB-CE1 4.49Å; K276-Y316 HydrophobicContact CD-CE1 4.27Å; K276-Y316 HydrophobicContact CG-CD1 3.83Å; K276-Y316 HydrophobicContact CG-CE1 3.37Å; K276-T543 VanDerWaalsContact NZ-CB 3.34Å; K276-T543 PolarHBondContact NZ-OG1 3.45Å
277	K	82.5	Confident	84.5	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.009	21%	0.21	C	C	.	.	H	α-helix	trans	-60	-44	178.6	-73.5	178.9	174.2	178.7	0	112.1	V279 L280 I281 T313 N315 L317 D557 F561	K277-V279 VanDerWaalsContact C-N 3.34Å; K277-V279 PolarHBondContact O-N 2.84Å; K277-L280 PolarHBondContact O-N 3.2Å; K277-I281 WeakPolarHBondContact O-CD1 3.29Å; K277-I281 VanDerWaalsContact O-CG1 3.32Å; K277-I281 WeakPolarHBondContact O-CG1 3.47Å; K277-I281 PolarHBondContact O-N 2.91Å; K277-T313 VanDerWaalsContact CE-O 3.27Å; K277-T313 WeakPolarHBondContact CE-O 3.47Å; K277-T313 PolarHBondContact NZ-O 3.06Å; K277-N315 PolarHBondContact N-O 2.93Å; K277-L317 HydrophobicContact CG-CD2 4.34Å; K277-L317 HydrophobicContact CG-CG 4.11Å; K277-D557 WeakPolarHBondContact CE-OD1 3.43Å; K277-D557 IonicContact NZ-OD1 3.09Å; K277-D557 PolarHBondContact NZ-OD1 3.27Å; K277-D557 IonicContact NZ-OD2 3.61Å; K277-D557 PolarHBondContact NZ-OD2 2.94Å; K277-F561 HydrophobicContact CD-CD2 4.25Å; K277-F561 HydrophobicContact CD-CE2 4.45Å; K277-F561 HydrophobicContact CG-CE2 4.41Å
278	S	80.3	Confident	83.6	Confident	29 Å²	29	41.3 Å²	41.3	20%	0.203	20%	0.203	C	C	.	.	H	α-helix	trans	-57.9	-45.6	179.5	51	0	0	0	0	112	K276 I281 E282 E549	K276-S278 PolarHBondContact O-N 3.46Å; S278-I281 PolarHBondContact O-N 3.44Å; S278-E282 WeakPolarHBondContact O-CB 3.15Å; S278-E282 PolarHBondContact O-N 2.87Å; S278-E549 WeakPolarHBondContact CB-OE1 3.46Å; S278-E549 PolarHBondContact OG-OE1 2.87Å
279	V	78.6	Confident	83	Confident	30 Å²	30	39.3 Å²	39.3	18%	0.182	20%	0.195	C	C	.	.	H	α-helix	trans	-66.8	-39.8	178.7	-173.1	0	0	0	0	111.7	F255 K276 K277 I281 E282 K283	F255-V279 HydrophobicContact CD1-CG1 4.03Å; K276-V279 HydrophobicContact CB-CB 4.09Å; K276-V279 HydrophobicContact CB-CG2 3.69Å; K276-V279 HydrophobicContact CD-CG2 4.07Å; K276-V279 HydrophobicContact CG-CG2 4.5Å; K276-V279 PolarHBondContact O-N 3.36Å; K277-V279 VanDerWaalsContact C-N 3.34Å; K277-V279 PolarHBondContact O-N 2.84Å; V279-I281 VanDerWaalsContact C-N 3.31Å; V279-I281 PolarHBondContact O-N 3.47Å; V279-E282 PolarHBondContact O-N 2.68Å; V279-K283 HydrophobicContact CG1-CG 4.25Å; V279-K283 WeakPolarHBondContact O-CB 3.43Å; V279-K283 VanDerWaalsContact O-CG 3.31Å; V279-K283 WeakPolarHBondContact O-CG 3.09Å; V279-K283 PolarHBondContact O-N 2.81Å
280	L	77.5	Confident	82.3	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.9	-38.4	176.2	-70.6	175	0	0	0	112.4	F255 L275 K276 K277 E284 E285 V286 T289 L317	F255-L280 HydrophobicContact CB-CD2 3.99Å; F255-L280 HydrophobicContact CD1-CD2 3.96Å; F255-L280 HydrophobicContact CG-CD2 3.95Å; L275-L280 HydrophobicContact CB-CD1 3.96Å; L275-L280 HydrophobicContact CD1-CD1 4.3Å; K276-L280 WeakPolarHBondContact O-CG 3.31Å; K276-L280 PolarHBondContact O-N 2.73Å; K276-L280 VanDerWaalsContact O-N 3.1Å; K277-L280 PolarHBondContact O-N 3.2Å; L280-E284 PolarHBondContact O-N 3.43Å; L280-E285 HydrophobicContact CD2-CB 3.85Å; L280-E285 PolarHBondContact O-N 3.06Å; L280-V286 HydrophobicContact CB-CG2 4.29Å; L280-T289 HydrophobicContact CD1-CG2 4.07Å; L280-T289 WeakPolarHBondContact CD2-OG1 3.18Å; L280-L317 HydrophobicContact CD1-CD1 3.49Å; L280-L317 VanDerWaalsContact CD1-CD1 3.49Å; L280-L317 HydrophobicContact CD1-CG 4.36Å
281	I	76.6	Confident	81.4	Confident	51 Å²	51	39.6 Å²	39.6	26%	0.262	20%	0.198	S	C	.	.	H	α-helix	trans	-69.3	-48.9	177	-65.7	158.2	0	0	0	110.1	K277 S278 V279 K283 E284 V286 V556 F561	K277-I281 WeakPolarHBondContact O-CD1 3.29Å; K277-I281 VanDerWaalsContact O-CG1 3.32Å; K277-I281 WeakPolarHBondContact O-CG1 3.47Å; K277-I281 PolarHBondContact O-N 2.91Å; S278-I281 PolarHBondContact O-N 3.44Å; V279-I281 VanDerWaalsContact C-N 3.31Å; V279-I281 PolarHBondContact O-N 3.47Å; I281-K283 PolarHBondContact O-N 2.95Å; I281-E284 PolarHBondContact O-N 2.86Å; I281-E284 VanDerWaalsContact O-N 3.13Å; I281-V286 HydrophobicContact CG1-CG2 4Å; I281-V556 HydrophobicContact CD1-CB 4.09Å; I281-V556 HydrophobicContact CD1-CG1 3.55Å; I281-V556 HydrophobicContact CG1-CG1 4.15Å; I281-F561 HydrophobicContact CD1-CE2 4.46Å
282	E	75.7	Confident	80.9	Confident	142 Å²	142	39.4 Å²	39.4	66%	0.664	20%	0.195	S	C	*	.	H	α-helix	trans	-57.5	-37.2	179.8	-172.4	-168.2	155.2	0	0	112.1	S278 V279	S278-E282 WeakPolarHBondContact O-CB 3.15Å; S278-E282 PolarHBondContact O-N 2.87Å; V279-E282 PolarHBondContact O-N 2.68Å
283	K	74.5	Confident	80.3	Confident	104 Å²	104	39.7 Å²	39.7	45%	0.452	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	4.2	-178.7	-61.1	-66.3	-176.9	-174.4	0	114.2	F255 V279 I281 E285	F255-K283 HydrophobicContact CE1-CB 3.82Å; F255-K283 HydrophobicContact CE1-CG 3.97Å; V279-K283 HydrophobicContact CG1-CG 4.25Å; V279-K283 WeakPolarHBondContact O-CB 3.43Å; V279-K283 VanDerWaalsContact O-CG 3.31Å; V279-K283 WeakPolarHBondContact O-CG 3.09Å; V279-K283 PolarHBondContact O-N 2.81Å; I281-K283 PolarHBondContact O-N 2.95Å; K283-E285 HydrophobicContact CB-CG 4.07Å; K283-E285 PolarHBondContact O-N 3.44Å
284	E	76.9	Confident	79.8	Confident	171 Å²	171	41.6 Å²	41.6	80%	0.799	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	24	-178.1	-54.7	-173.2	178.2	0	0	115	L280 I281 V286	L280-E284 PolarHBondContact O-N 3.43Å; I281-E284 PolarHBondContact O-N 2.86Å; I281-E284 VanDerWaalsContact O-N 3.13Å; E284-V286 PolarHBondContact O-N 3.19Å
285	E	78.2	Confident	79.3	Confident	19 Å²	19	41.7 Å²	41.7	9%	0.089	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	7.2	-173.5	-74.6	-63.8	142.1	0	0	114.4	L4 F255 L280 K283 V287 H288 T289	L4-E285 WeakPolarHBondContact CD1-OE1 3.36Å; F255-E285 HydrophobicContact CE1-CB 4.18Å; F255-E285 HydrophobicContact CE1-CG 3.67Å; F255-E285 HydrophobicContact CE2-CG 4.42Å; F255-E285 HydrophobicContact CZ-CB 4.37Å; F255-E285 HydrophobicContact CZ-CG 3.59Å; L280-E285 HydrophobicContact CD2-CB 3.85Å; L280-E285 PolarHBondContact O-N 3.06Å; K283-E285 HydrophobicContact CB-CG 4.07Å; K283-E285 PolarHBondContact O-N 3.44Å; E285-V287 VanDerWaalsContact C-N 3.31Å; E285-V287 PolarHBondContact O-N 3.3Å; E285-H288 VanDerWaalsContact CD-ND1 3.3Å; E285-H288 PolarHBondContact O-N 3.02Å; E285-H288 IonicContact OE1-CE1 3.82Å; E285-H288 IonicContact OE1-ND1 3.05Å; E285-H288 PolarHBondContact OE1-ND1 3.08Å; E285-H288 WeakPolarHBondContact OE2-CB 3.36Å; E285-H288 IonicContact OE2-CE1 3.93Å; E285-H288 IonicContact OE2-CG 3.38Å; E285-H288 IonicContact OE2-ND1 3.27Å; E285-H288 PolarHBondContact OE2-ND1 2.78Å; E285-T289 PolarHBondContact O-N 3.16Å; E285-T289 PolarHBondContact O-OG1 3.26Å
286	V	78.8	Confident	79.1	Confident	18 Å²	18	41.4 Å²	41.4	11%	0.109	20%	0.203	C	C	.	.	H	α-helix	trans	-60.4	-41.1	-178.8	-180	0	0	0	0	111.4	L280 I281 E284 T289 M290 Y560 F561	L280-V286 HydrophobicContact CB-CG2 4.29Å; I281-V286 HydrophobicContact CG1-CG2 4Å; E284-V286 PolarHBondContact O-N 3.19Å; V286-T289 PolarHBondContact O-N 3.31Å; V286-M290 HydrophobicContact CG1-CG 4.46Å; V286-M290 WeakPolarHBondContact O-CB 3.24Å; V286-M290 WeakPolarHBondContact O-CG 3.38Å; V286-M290 PolarHBondContact O-N 3Å; V286-Y560 HydrophobicContact CG1-CD1 4.19Å; V286-Y560 HydrophobicContact CG1-CG 4.29Å; V286-F561 HydrophobicContact CG1-CE1 3.94Å; V286-F561 HydrophobicContact CG1-CZ 3.79Å; V286-F561 HydrophobicContact CG2-CZ 4.09Å
287	V	75.6	Confident	78.9	Confident	73 Å²	73	40.3 Å²	40.3	44%	0.442	20%	0.198	S	C	.	.	H	α-helix	trans	-68.2	-41.3	-177.9	177.8	0	0	0	0	111.4	E285 M290 T291	E285-V287 VanDerWaalsContact C-N 3.31Å; E285-V287 PolarHBondContact O-N 3.3Å; V287-M290 PolarHBondContact O-N 2.89Å; V287-T291 PolarHBondContact O-N 2.82Å; V287-T291 PolarHBondContact O-OG1 2.83Å
288	H	73.8	Confident	78.8	Confident	38 Å²	38	44.8 Å²	44.8	18%	0.176	22%	0.219	C	C	.	.	H	α-helix	trans	-64.2	-46.3	176.7	-63.9	142.4	0	0	0	110.7	E285 M290 T291 E292	E285-H288 VanDerWaalsContact CD-ND1 3.3Å; E285-H288 PolarHBondContact O-N 3.02Å; E285-H288 IonicContact OE1-CE1 3.82Å; E285-H288 IonicContact OE1-ND1 3.05Å; E285-H288 PolarHBondContact OE1-ND1 3.08Å; E285-H288 WeakPolarHBondContact OE2-CB 3.36Å; E285-H288 IonicContact OE2-CE1 3.93Å; E285-H288 IonicContact OE2-CG 3.38Å; E285-H288 IonicContact OE2-ND1 3.27Å; E285-H288 PolarHBondContact OE2-ND1 2.78Å; H288-M290 VanDerWaalsContact C-N 3.29Å; H288-M290 PolarHBondContact O-N 3.49Å; H288-T291 WeakPolarHBondContact O-CA 3.21Å; H288-T291 WeakPolarHBondContact O-CB 3.46Å; H288-T291 PolarHBondContact O-N 3.18Å; H288-E292 PolarHBondContact O-N 2.8Å
289	T	79.8	Confident	79	Confident	7 Å²	7	43.9 Å²	43.9	4%	0.043	21%	0.213	C	C	.	.	H	α-helix	trans	-60.4	-37.9	176.4	-53.9	0	0	0	0	112.8	L275 L280 E285 V286 T291 N293 L317 F319 F564	L275-T289 HydrophobicContact CD1-CG2 3.75Å; L280-T289 HydrophobicContact CD1-CG2 4.07Å; L280-T289 WeakPolarHBondContact CD2-OG1 3.18Å; E285-T289 PolarHBondContact O-N 3.16Å; E285-T289 PolarHBondContact O-OG1 3.26Å; V286-T289 PolarHBondContact O-N 3.31Å; T289-T291 VanDerWaalsContact C-N 3.33Å; T289-N293 PolarHBondContact O-N 3.39Å; T289-N293 VanDerWaalsContact O-N 3.08Å; T289-L317 HydrophobicContact CG2-CD1 3.65Å; T289-F319 HydrophobicContact CG2-CE2 3.95Å; T289-F319 HydrophobicContact CG2-CZ 3.92Å; T289-F564 HydrophobicContact CG2-CE2 4.47Å
290	M	77.9	Confident	79.2	Confident	26 Å²	26	49.2 Å²	49.2	13%	0.128	23%	0.233	C	C	.	.	H	α-helix	trans	-69	-33.5	175.1	-73.1	-66.4	166.3	0	0	112.7	V286 V287 H288 R294 Y560 F561 F564	V286-M290 HydrophobicContact CG1-CG 4.46Å; V286-M290 WeakPolarHBondContact O-CB 3.24Å; V286-M290 WeakPolarHBondContact O-CG 3.38Å; V286-M290 PolarHBondContact O-N 3Å; V287-M290 PolarHBondContact O-N 2.89Å; H288-M290 VanDerWaalsContact C-N 3.29Å; H288-M290 PolarHBondContact O-N 3.49Å; M290-R294 WeakPolarHBondContact O-CG 3.21Å; M290-R294 PolarHBondContact O-N 3.41Å; M290-R294 VanDerWaalsContact O-N 3.14Å; M290-R294 PolarHBondContact O-NH1 3.12Å; M290-Y560 WeakPolarHBondContact CE-O 3.49Å; M290-F561 HydrophobicContact CE-CD1 3.17Å; M290-F561 HydrophobicContact CE-CE1 3.49Å; M290-F561 VanDerWaalsContact CE-CE1 3.49Å; M290-F561 HydrophobicContact CE-CG 4.18Å; M290-F564 HydrophobicContact CE-CD2 3.9Å; M290-F564 HydrophobicContact CE-CE2 4.29Å; M290-F564 HydrophobicContact SD-CD2 4.08Å; M290-F564 HydrophobicContact SD-CE2 4.35Å
291	T	77.1	Confident	79.9	Confident	12 Å²	12	49.9 Å²	49.9	7%	0.074	24%	0.236	C	C	.	.	H	α-helix	trans	-69	-45.4	175.5	-54.6	0	0	0	0	110.4	V287 H288 T289 N293 R294 V295 E391	V287-T291 PolarHBondContact O-N 2.82Å; V287-T291 PolarHBondContact O-OG1 2.83Å; H288-T291 WeakPolarHBondContact O-CA 3.21Å; H288-T291 WeakPolarHBondContact O-CB 3.46Å; H288-T291 PolarHBondContact O-N 3.18Å; T289-T291 VanDerWaalsContact C-N 3.33Å; T291-N293 VanDerWaalsContact C-N 3.3Å; T291-N293 PolarHBondContact O-N 3.46Å; T291-R294 PolarHBondContact O-N 3.05Å; T291-R294 VanDerWaalsContact O-N 3.13Å; T291-R294 PolarHBondContact OG1-NH2 2.84Å; T291-V295 HydrophobicContact CG2-CG2 4.29Å; T291-V295 WeakPolarHBondContact O-CG2 3.37Å; T291-V295 PolarHBondContact O-N 2.89Å; T291-E391 HydrophobicContact CG2-CG 4.12Å
292	E	83.6	Confident	80.8	Confident	5 Å²	5	49.3 Å²	49.3	2%	0.023	24%	0.236	C	C	.	.	H	α-helix	trans	-52.3	-49.5	172.1	176.9	169.7	-153.6	0	0	110.9	K273 H288 R294 V295 L296 F319 F386	K273-E292 IonicContact NZ-OE1 2.68Å; K273-E292 PolarHBondContact NZ-OE1 3.22Å; K273-E292 IonicContact NZ-OE2 3.7Å; K273-E292 PolarHBondContact NZ-OE2 3.19Å; H288-E292 PolarHBondContact O-N 2.8Å; E292-R294 PolarHBondContact O-N 3.32Å; E292-V295 PolarHBondContact O-N 2.77Å; E292-L296 HydrophobicContact CG-CD1 3.7Å; E292-L296 HydrophobicContact CG-CG 4.34Å; E292-L296 VanDerWaalsContact O-CB 3.23Å; E292-L296 WeakPolarHBondContact O-CB 3.36Å; E292-L296 WeakPolarHBondContact O-CG 3.41Å; E292-L296 PolarHBondContact O-N 3.38Å; E292-F319 HydrophobicContact CG-CZ 4.39Å; E292-F386 HydrophobicContact CG-CB 4.17Å
293	N	82.2	Confident	81.8	Confident	6 Å²	6	42.5 Å²	42.5	3%	0.032	20%	0.204	C	C	.	.	H	α-helix	trans	-57.4	-46.5	177.4	-167.3	26.6	0	0	0	112.7	T289 T291 Q297 S310 F319 F564	T289-N293 PolarHBondContact O-N 3.39Å; T289-N293 VanDerWaalsContact O-N 3.08Å; T291-N293 VanDerWaalsContact C-N 3.3Å; T291-N293 PolarHBondContact O-N 3.46Å; N293-Q297 VanDerWaalsContact CG-NE2 3.33Å; N293-Q297 PolarHBondContact ND2-NE2 3.17Å; N293-Q297 WeakPolarHBondContact O-CB 3.28Å; N293-Q297 WeakPolarHBondContact O-CG 3.27Å; N293-Q297 PolarHBondContact O-N 3.1Å; N293-Q297 PolarHBondContact OD1-NE2 3.11Å; N293-S310 PolarHBondContact OD1-OG 3.1Å; N293-F319 HydrophobicContact CB-CE1 3.59Å; N293-F319 HydrophobicContact CB-CZ 4.08Å; N293-F564 HydrophobicContact CB-CE2 4.05Å
294	R	80.8	Confident	82.8	Confident	67 Å²	67	37.7 Å²	37.7	25%	0.253	18%	0.183	S	C	.	.	H	α-helix	trans	-65.5	-45.5	-179.1	-72.7	-170.8	-56.9	-83.9	-1.1	112.3	M290 T291 E292 Q297 Q298 E391	M290-R294 WeakPolarHBondContact O-CG 3.21Å; M290-R294 PolarHBondContact O-N 3.41Å; M290-R294 VanDerWaalsContact O-N 3.14Å; M290-R294 PolarHBondContact O-NH1 3.12Å; T291-R294 PolarHBondContact O-N 3.05Å; T291-R294 VanDerWaalsContact O-N 3.13Å; T291-R294 PolarHBondContact OG1-NH2 2.84Å; E292-R294 PolarHBondContact O-N 3.32Å; R294-Q297 PolarHBondContact O-N 3.01Å; R294-Q298 WeakPolarHBondContact O-CG 3.46Å; R294-Q298 PolarHBondContact O-N 2.84Å; R294-E391 IonicContact CZ-OE2 3.51Å; R294-E391 IonicContact NE-OE1 2.77Å; R294-E391 IonicContact NE-OE2 2.88Å; R294-E391 PolarHBondContact NE-OE2 3.13Å; R294-E391 IonicContact NH2-OE2 3.26Å; R294-E391 PolarHBondContact NH2-OE2 3.14Å
295	V	80.4	Confident	83.5	Confident	5 Å²	5	29.9 Å²	29.9	3%	0.03	15%	0.148	C	C	.	.	H	α-helix	trans	-61.8	-48.4	179	172.1	0	0	0	0	109.9	T291 E292 Q297 Q298 C299 L358 V363 F386 C389 E391	T291-V295 HydrophobicContact CG2-CG2 4.29Å; T291-V295 WeakPolarHBondContact O-CG2 3.37Å; T291-V295 PolarHBondContact O-N 2.89Å; E292-V295 PolarHBondContact O-N 2.77Å; V295-Q297 VanDerWaalsContact C-N 3.32Å; V295-Q297 PolarHBondContact O-N 2.88Å; V295-Q298 PolarHBondContact O-N 3.12Å; V295-C299 WeakPolarHBondContact O-CB 3.28Å; V295-C299 PolarHBondContact O-N 2.96Å; V295-L358 HydrophobicContact CG1-CD2 4.4Å; V295-V363 HydrophobicContact CG1-CG1 4.22Å; V295-V363 HydrophobicContact CG2-CG1 4.06Å; V295-V363 HydrophobicContact CG2-CG2 4.21Å; V295-F386 HydrophobicContact CG1-CB 4.34Å; V295-F386 HydrophobicContact CG1-CD1 3.8Å; V295-F386 HydrophobicContact CG1-CG 4.32Å; V295-C389 HydrophobicContact CG2-CB 4.05Å; V295-E391 HydrophobicContact CG2-CG 3.89Å
296	L	84.4	Confident	84.1	Confident	4 Å²	4	30.5 Å²	30.5	2%	0.021	15%	0.15	C	C	.	.	H	α-helix	trans	-61.6	-35.8	179.3	-82.7	176.4	0	0	0	113.6	E292 Q298 L307 F319 M321 F386	E292-L296 HydrophobicContact CG-CD1 3.7Å; E292-L296 HydrophobicContact CG-CG 4.34Å; E292-L296 VanDerWaalsContact O-CB 3.23Å; E292-L296 WeakPolarHBondContact O-CB 3.36Å; E292-L296 WeakPolarHBondContact O-CG 3.41Å; E292-L296 PolarHBondContact O-N 3.38Å; L296-Q298 VanDerWaalsContact C-N 3.35Å; L296-L307 HydrophobicContact CB-CB 3.8Å; L296-L307 HydrophobicContact CB-CD2 3.85Å; L296-L307 HydrophobicContact CB-CG 4.36Å; L296-L307 HydrophobicContact CD1-CD1 4.47Å; L296-L307 HydrophobicContact CD2-CB 4.45Å; L296-F319 HydrophobicContact CD1-CD1 4.38Å; L296-M321 HydrophobicContact CD1-SD 4.22Å; L296-F386 HydrophobicContact CD2-CD2 3.4Å; L296-F386 HydrophobicContact CD2-CE2 3.73Å; L296-F386 HydrophobicContact CD2-CG 4.14Å; L296-F386 HydrophobicContact CG-CB 4.39Å; L296-F386 HydrophobicContact CG-CD2 4.02Å; L296-F386 HydrophobicContact CG-CG 4.37Å
297	Q	82.6	Confident	84.6	Confident	38 Å²	38	29.8 Å²	29.8	18%	0.178	15%	0.146	C	C	.	.	H	α-helix	trans	-68.8	-32.9	177.5	-75.3	176.9	18.8	0	0	113.2	N293 R294 V295 L307 F566	N293-Q297 VanDerWaalsContact CG-NE2 3.33Å; N293-Q297 PolarHBondContact ND2-NE2 3.17Å; N293-Q297 WeakPolarHBondContact O-CB 3.28Å; N293-Q297 WeakPolarHBondContact O-CG 3.27Å; N293-Q297 PolarHBondContact O-N 3.1Å; N293-Q297 PolarHBondContact OD1-NE2 3.11Å; R294-Q297 PolarHBondContact O-N 3.01Å; V295-Q297 VanDerWaalsContact C-N 3.32Å; V295-Q297 PolarHBondContact O-N 2.88Å; Q297-L307 HydrophobicContact CG-CD2 3.74Å; Q297-F566 HydrophobicContact CB-CD2 4.31Å; Q297-F566 HydrophobicContact CB-CE2 4.19Å; Q297-F566 HydrophobicContact CB-CZ 4.5Å; Q297-F566 HydrophobicContact CG-CB 4.17Å; Q297-F566 HydrophobicContact CG-CD1 4.09Å; Q297-F566 HydrophobicContact CG-CD2 3.64Å; Q297-F566 HydrophobicContact CG-CE1 4.4Å; Q297-F566 HydrophobicContact CG-CE2 3.98Å; Q297-F566 HydrophobicContact CG-CG 3.69Å; Q297-F566 HydrophobicContact CG-CZ 4.34Å
298	Q	79.2	Confident	85.1	Confident	96 Å²	96	27 Å²	27	45%	0.449	13%	0.128	S	C	.	.	H	α-helix	trans	-89.4	-26.8	-177.4	-65	174.4	27.3	0	0	112.1	R294 V295 L296 K300 Y357	R294-Q298 WeakPolarHBondContact O-CG 3.46Å; R294-Q298 PolarHBondContact O-N 2.84Å; V295-Q298 PolarHBondContact O-N 3.12Å; L296-Q298 VanDerWaalsContact C-N 3.35Å; Q298-K300 PolarHBondContact O-N 3.48Å; Q298-Y357 PolarHBondContact O-OH 3.18Å
299	C	83.9	Confident	85.8	Confident	9 Å²	9	25.4 Å²	25.4	6%	0.061	12%	0.12	C	C	.	.			trans	-70.4	119.1	-174.7	-176.4	0	0	0	0	112.1	V295 M304	V295-C299 WeakPolarHBondContact O-CB 3.28Å; V295-C299 PolarHBondContact O-N 2.96Å; C299-M304 PolarHBondContact SG-SD 3.43Å
300	K	84.6	Confident	86.2	Confident	142 Å²	142	25.2 Å²	25.2	62%	0.617	12%	0.119	S	C	*	.			trans	-132.7	91.7	170.4	-67.4	-170.6	178.7	-177	0	109.7	Q298 Y357	Q298-K300 PolarHBondContact O-N 3.48Å; K300-Y357 PolarHBondContact N-OH 3.38Å
301	H	92.3	Very high	86.6	Confident	14 Å²	14	24.3 Å²	24.3	7%	0.065	11%	0.114	C	C	.	.			trans	-142.5	136.9	-178.5	-168.7	-93	0	0	0	110.8	F303 M304 L353 A354 Y357 I510	H301-F303 AromaticContact CE1-CD2 3.53Å; H301-F303 PolarHBondContact ND1-N 3.29Å; H301-F303 PolarHBondContact O-N 2.77Å; H301-F303 VanDerWaalsContact O-N 3.12Å; H301-M304 HydrophobicContact CB-CB 4.29Å; H301-M304 HydrophobicContact CB-CE 4.28Å; H301-M304 HydrophobicContact CB-CG 4.15Å; H301-M304 HydrophobicContact CB-SD 4.29Å; H301-M304 PolarHBondContact O-N 2.95Å; H301-M304 VanDerWaalsContact O-N 3.13Å; H301-L353 PolarHBondContact NE2-O 3.31Å; H301-A354 VanDerWaalsContact CE1-CA 3.41Å; H301-A354 WeakPolarHBondContact CE1-CA 3.15Å; H301-A354 PolarHBondContact CE1-N 3.27Å; H301-Y357 HydrophobicContact CB-CD1 3.94Å; H301-Y357 HydrophobicContact CB-CE1 4.16Å; H301-Y357 HydrophobicContact CB-CG 4.29Å; H301-Y357 AromaticContact CD2-CG 3.73Å; H301-I510 WeakPolarHBondContact NE2-CD1 3.16Å
302	P	93.9	Very high	87	Confident	39 Å²	39	26 Å²	26	25%	0.253	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-27.7	-175.5	22.7	-35	0	0	0	113.7	K382 I510 K512	P302-K382 WeakPolarHBondContact O-CE 3.5Å; P302-K382 PolarHBondContact O-NZ 3.11Å; P302-K382 VanDerWaalsContact O-NZ 3.17Å; P302-I510 HydrophobicContact CG-CD1 3.52Å; P302-I510 HydrophobicContact CG-CG1 4.17Å; P302-I510 WeakPolarHBondContact CG-O 3.44Å; P302-K512 HydrophobicContact CB-CD 4.17Å; P302-K512 HydrophobicContact CB-CG 4.4Å
303	F	97.4	Very high	87	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	17.9	-178.1	-49.8	-47.7	0	0	0	114.3	H301 E350 L353 A354 H380 I381 K382 I383 L509 I510 K512	H301-F303 AromaticContact CE1-CD2 3.53Å; H301-F303 PolarHBondContact ND1-N 3.29Å; H301-F303 PolarHBondContact O-N 2.77Å; H301-F303 VanDerWaalsContact O-N 3.12Å; F303-E350 HydrophobicContact CD1-CB 4.17Å; F303-E350 HydrophobicContact CD1-CG 4.19Å; F303-E350 HydrophobicContact CD2-CB 3.73Å; F303-E350 HydrophobicContact CD2-CG 4.11Å; F303-E350 WeakPolarHBondContact CD2-O 3.35Å; F303-E350 HydrophobicContact CE1-CB 4.31Å; F303-E350 VanDerWaalsContact CE1-CD 3.45Å; F303-E350 HydrophobicContact CE1-CG 3.84Å; F303-E350 WeakPolarHBondContact CE1-OE1 3.49Å; F303-E350 HydrophobicContact CE2-CB 3.92Å; F303-E350 HydrophobicContact CE2-CG 3.79Å; F303-E350 HydrophobicContact CG-CB 3.89Å; F303-E350 HydrophobicContact CG-CG 4.33Å; F303-E350 HydrophobicContact CZ-CB 4.19Å; F303-E350 HydrophobicContact CZ-CG 3.64Å; F303-E350 WeakPolarHBondContact CZ-OE1 3.27Å; F303-L353 HydrophobicContact CD2-CB 4.31Å; F303-L353 HydrophobicContact CE2-CB 4.43Å; F303-L353 HydrophobicContact CE2-CD1 3.9Å; F303-A354 HydrophobicContact CB-CB 4.22Å; F303-H380 HydrophobicContact CD1-CB 4.44Å; F303-H380 HydrophobicContact CE1-CB 4.28Å; F303-H380 AromaticContact CE1-ND1 3.98Å; F303-I381 VanDerWaalsContact CA-O 3.23Å; F303-I381 WeakPolarHBondContact CA-O 3.27Å; F303-K382 WeakPolarHBondContact O-CA 3.34Å; F303-I383 PolarHBondContact O-N 2.96Å; F303-L509 HydrophobicContact CE2-CG 4.4Å; F303-L509 HydrophobicContact CZ-CG 4.33Å; F303-L509 VanDerWaalsContact CZ-O 3.31Å; F303-L509 WeakPolarHBondContact CZ-O 3.46Å; F303-I510 HydrophobicContact CE2-CD1 4.32Å; F303-K512 HydrophobicContact CE1-CD 4.38Å; F303-K512 HydrophobicContact CE1-CG 3.92Å; F303-K512 HydrophobicContact CZ-CG 4.29Å
304	M	95	Very high	87	Confident	2 Å²	2	30.8 Å²	30.8	1%	0.01	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-122.4	150.6	171.9	-66.7	-172.2	-155.5	0	0	110.2	C299 H301 A354 Y357 L358 K382 I383 F386	C299-M304 PolarHBondContact SG-SD 3.43Å; H301-M304 HydrophobicContact CB-CB 4.29Å; H301-M304 HydrophobicContact CB-CE 4.28Å; H301-M304 HydrophobicContact CB-CG 4.15Å; H301-M304 HydrophobicContact CB-SD 4.29Å; H301-M304 PolarHBondContact O-N 2.95Å; H301-M304 VanDerWaalsContact O-N 3.13Å; M304-A354 VanDerWaalsContact CE-CA 3.46Å; M304-A354 HydrophobicContact CE-CB 3.52Å; M304-A354 WeakPolarHBondContact CE-O 3.47Å; M304-A354 HydrophobicContact CG-CB 4.3Å; M304-Y357 HydrophobicContact CE-CD1 3.97Å; M304-L358 HydrophobicContact CE-CD1 3.92Å; M304-L358 HydrophobicContact CE-CD2 3.97Å; M304-L358 HydrophobicContact CE-CG 3.5Å; M304-L358 HydrophobicContact SD-CD1 4.29Å; M304-L358 HydrophobicContact SD-CD2 3.9Å; M304-L358 HydrophobicContact SD-CG 4.04Å; M304-K382 WeakPolarHBondContact O-CD 3.5Å; M304-K382 PolarHBondContact O-NZ 3.31Å; M304-I383 HydrophobicContact CG-CB 4.32Å; M304-F386 HydrophobicContact CB-CZ 3.98Å; M304-F386 HydrophobicContact CG-CZ 4.05Å; M304-F386 HydrophobicContact SD-CE1 3.78Å; M304-F386 HydrophobicContact SD-CZ 3.88Å
305	T	92.6	Very high	87.2	Confident	8 Å²	8	28.5 Å²	28.5	5%	0.049	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-69.1	131	173.4	56.5	0	0	0	0	110.3	V324 K382 I383 A384	T305-V324 HydrophobicContact CG2-CG2 3.99Å; T305-K382 HydrophobicContact CG2-CB 4.12Å; T305-I383 PolarHBondContact N-O 3.33Å; T305-I383 PolarHBondContact OG1-O 2.84Å; T305-A384 HydrophobicContact CG2-CB 3.96Å
306	E	89.2	Confident	87.6	Confident	31 Å²	31	29.2 Å²	29.2	15%	0.145	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-88	138	179.7	-172.7	175.2	174.4	0	0	112	M321 E322 S572	E306-M321 CarbonylContact O-C 3.54Å; E306-M321 VanDerWaalsContact O-CA 3.3Å; E306-M321 WeakPolarHBondContact O-CA 3.48Å; E306-E322 PolarHBondContact O-N 3.29Å; E306-S572 VanDerWaalsContact OE1-CB 3.31Å; E306-S572 WeakPolarHBondContact OE1-CB 3.45Å; E306-S572 PolarHBondContact OE1-OG 3.41Å; E306-S572 WeakPolarHBondContact OE2-CB 3.33Å; E306-S572 PolarHBondContact OE2-OG 3.14Å
307	L	89.4	Confident	87.8	Confident	3 Å²	3	29 Å²	29	2%	0.016	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	121.5	168.1	178.4	72.9	0	0	0	110.3	L296 Q297 Y309 F319 M321 F566	L296-L307 HydrophobicContact CB-CB 3.8Å; L296-L307 HydrophobicContact CB-CD2 3.85Å; L296-L307 HydrophobicContact CB-CG 4.36Å; L296-L307 HydrophobicContact CD1-CD1 4.47Å; L296-L307 HydrophobicContact CD2-CB 4.45Å; Q297-L307 HydrophobicContact CG-CD2 3.74Å; L307-Y309 VanDerWaalsContact CD1-O 3.27Å; L307-Y309 WeakPolarHBondContact CD1-O 3.25Å; L307-F319 HydrophobicContact CD1-CB 3.9Å; L307-F319 HydrophobicContact CD1-CD1 3.9Å; L307-F319 HydrophobicContact CD1-CG 4.43Å; L307-M321 HydrophobicContact CD1-CG 4Å; L307-F566 HydrophobicContact CD2-CD1 3.98Å; L307-F566 HydrophobicContact CD2-CE1 4.42Å; L307-F566 HydrophobicContact CG-CD1 4.22Å; L307-F566 HydrophobicContact CG-CE1 4.48Å
308	R	86.9	Confident	88.2	Confident	15 Å²	15	27.2 Å²	27.2	6%	0.057	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-52.4	177.6	-174.2	77.8	-168	128.5	16.6	111.4	Y270 V320 G568 S569	Y270-R308 HydrophobicContact CD1-CB 4.19Å; Y270-R308 HydrophobicContact CD1-CG 4.33Å; Y270-R308 HydrophobicContact CE1-CB 3.88Å; Y270-R308 HydrophobicContact CE1-CG 3.6Å; Y270-R308 PolarHBondContact OH-NE 3.25Å; R308-V320 WeakPolarHBondContact CA-O 3.41Å; R308-V320 VanDerWaalsContact CB-O 3.3Å; R308-V320 WeakPolarHBondContact CB-O 3.25Å; R308-V320 PolarHBondContact N-O 3.22Å; R308-G568 PolarHBondContact NH1-O 2.93Å; R308-G568 PolarHBondContact NH2-O 3.43Å; R308-G568 PolarHBondContact O-N 3.31Å; R308-S569 PolarHBondContact NH1-O 3.5Å
309	Y	88.4	Confident	88.7	Confident	5 Å²	5	22.7 Å²	22.7	2%	0.02	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	145.8	-177.8	-46	-65.2	0	0	0	109.8	Y239 F244 E263 Y270 L307 V320 F566	Y239-Y309 HydrophobicContact CE1-CE1 4.17Å; Y239-Y309 HydrophobicContact CE1-CE2 4.17Å; Y239-Y309 AromaticContact CE1-CZ 3.95Å; Y239-Y309 HydrophobicContact CE2-CD1 4.44Å; Y239-Y309 HydrophobicContact CE2-CE1 4.25Å; Y239-Y309 AromaticContact CZ-CE1 3.89Å; F244-Y309 HydrophobicContact CE1-CD2 4.1Å; F244-Y309 HydrophobicContact CE1-CE2 4.1Å; F244-Y309 AromaticContact CZ-CD2 3.62Å; F244-Y309 HydrophobicContact CZ-CD2 3.62Å; F244-Y309 AromaticContact CZ-CE2 3.9Å; F244-Y309 HydrophobicContact CZ-CE2 3.9Å; E263-Y309 WeakPolarHBondContact OE1-CE2 3.31Å; E263-Y309 PolarHBondContact OE1-OH 3.42Å; Y270-Y309 HydrophobicContact CE2-CE2 4.38Å; L307-Y309 VanDerWaalsContact CD1-O 3.27Å; L307-Y309 WeakPolarHBondContact CD1-O 3.25Å; Y309-V320 HydrophobicContact CD2-CB 3.84Å; Y309-V320 HydrophobicContact CD2-CG1 3.84Å; Y309-V320 HydrophobicContact CD2-CG2 4.23Å; Y309-V320 HydrophobicContact CG-CB 4.37Å; Y309-V320 PolarHBondContact N-O 2.81Å; Y309-V320 VanDerWaalsContact N-O 3.08Å; Y309-V320 PolarHBondContact O-N 2.88Å; Y309-F566 WeakPolarHBondContact CA-O 3.42Å
310	S	87.4	Confident	89.2	Confident	2 Å²	2	22.2 Å²	22.2	1%	0.014	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	139.4	160.8	72.9	0	0	0	0	108.7	N293 C318 F564 S565 F566	N293-S310 PolarHBondContact OD1-OG 3.1Å; S310-C318 VanDerWaalsContact CA-O 3.31Å; S310-C318 WeakPolarHBondContact CA-O 3.41Å; S310-F564 CarbonylContact C-O 3.57Å; S310-F564 WeakPolarHBondContact CB-O 3.35Å; S310-F564 PolarHBondContact OG-O 2.87Å; S310-S565 WeakPolarHBondContact O-CA 3.15Å; S310-F566 PolarHBondContact N-O 2.82Å; S310-F566 PolarHBondContact O-N 2.96Å; S310-F566 VanDerWaalsContact OG-CB 3.24Å; S310-F566 WeakPolarHBondContact OG-CB 3.45Å; S310-F566 PolarHBondContact OG-N 2.89Å
311	F	87	Confident	89.5	Confident	7 Å²	7	16.6 Å²	16.6	3%	0.031	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	163.1	175.5	59.2	-92.8	0	0	0	111.3	V241 F244 M272 C318 V320 F564	V241-F311 HydrophobicContact CG2-CE2 3.85Å; V241-F311 HydrophobicContact CG2-CZ 4.3Å; F244-F311 HydrophobicContact CD2-CZ 4.44Å; F244-F311 AromaticContact CE2-CE1 3.84Å; F244-F311 HydrophobicContact CE2-CE1 3.84Å; F244-F311 HydrophobicContact CE2-CZ 4.17Å; M272-F311 HydrophobicContact CE-CZ 4.07Å; M272-F311 HydrophobicContact SD-CZ 4.39Å; F311-C318 HydrophobicContact CD1-CB 4.29Å; F311-C318 HydrophobicContact CD2-CB 3.8Å; F311-C318 HydrophobicContact CE1-CB 3.98Å; F311-C318 HydrophobicContact CE2-CB 3.43Å; F311-C318 VanDerWaalsContact CE2-CB 3.43Å; F311-C318 VanDerWaalsContact CE2-SG 3.59Å; F311-C318 HydrophobicContact CG-CB 4.21Å; F311-C318 HydrophobicContact CZ-CB 3.54Å; F311-C318 PolarHBondContact N-O 2.81Å; F311-C318 PolarHBondContact O-N 3.31Å; F311-V320 HydrophobicContact CE1-CG2 3.69Å; F311-V320 HydrophobicContact CZ-CG2 4.46Å; F311-F564 PolarHBondContact N-O 3.29Å; F311-F564 WeakPolarHBondContact O-CD1 3.34Å
312	T	84.9	Confident	89.5	Confident	49 Å²	49	17.3 Å²	17.3	30%	0.301	10%	0.097	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	148	176.2	57.4	0	0	0	0	111.3	Y316 L317 F561 F564	T312-Y316 CarbonylContact C-O 3.57Å; T312-Y316 WeakPolarHBondContact CA-O 3.34Å; T312-L317 HydrophobicContact CG2-CD2 3.29Å; T312-F561 HydrophobicContact CG2-CB 4.13Å; T312-F564 HydrophobicContact CG2-CB 3.35Å; T312-F564 HydrophobicContact CG2-CD1 3.92Å; T312-F564 HydrophobicContact CG2-CG 3.79Å
313	T	84.6	Confident	89.5	Confident	30 Å²	30	17 Å²	17	18%	0.184	9%	0.091	C	C	.	.			trans	-109	176.4	159	74.7	0	0	0	0	108.8	V241 K277 N315 Y316	V241-T313 HydrophobicContact CG2-CG2 3.89Å; K277-T313 VanDerWaalsContact CE-O 3.27Å; K277-T313 WeakPolarHBondContact CE-O 3.47Å; K277-T313 PolarHBondContact NZ-O 3.06Å; T313-N315 PolarHBondContact O-N 2.94Å; T313-N315 VanDerWaalsContact O-N 3.14Å; T313-N315 PolarHBondContact OG1-N 3.47Å; T313-Y316 PolarHBondContact N-O 3.32Å; T313-Y316 VanDerWaalsContact OG1-CB 3.31Å; T313-Y316 WeakPolarHBondContact OG1-CB 3.47Å; T313-Y316 WeakPolarHBondContact OG1-CD2 3.28Å; T313-Y316 PolarHBondContact OG1-N 3.03Å
314	P	82.9	Confident	89.4	Confident	81 Å²	81	17.5 Å²	17.5	53%	0.526	9%	0.094	S	C	.	.	S	Bend	trans	-52.7	-34.6	174.6	-28.9	37.2	0	0	0	113.5	N553	P314-N553 WeakPolarHBondContact O-CB 3.24Å; P314-N553 PolarHBondContact O-ND2 2.84Å
315	N	84.3	Confident	89.3	Confident	18 Å²	18	17.9 Å²	17.9	10%	0.096	10%	0.096	C	C	.	.	S	Bend	trans	-114.6	-13.3	-171.6	-57.2	-52.5	0	0	0	114.1	K277 T313 P545 N553	K277-N315 PolarHBondContact N-O 2.93Å; T313-N315 PolarHBondContact O-N 2.94Å; T313-N315 VanDerWaalsContact O-N 3.14Å; T313-N315 PolarHBondContact OG1-N 3.47Å; N315-P545 WeakPolarHBondContact ND2-CB 3.45Å; N315-P545 WeakPolarHBondContact ND2-CG 3.27Å; N315-N553 PolarHBondContact OD1-ND2 2.97Å
316	Y	88.3	Confident	89.4	Confident	21 Å²	21	17.5 Å²	17.5	8%	0.082	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	149.6	-169.6	-58	-84.1	0	0	0	113.7	I274 L275 K276 T312 T313 L542 T543	I274-Y316 HydrophobicContact CG2-CD1 3.55Å; I274-Y316 HydrophobicContact CG2-CE1 4.21Å; I274-Y316 HydrophobicContact CG2-CG 3.88Å; L275-Y316 CarbonylContact O-C 3.38Å; L275-Y316 WeakPolarHBondContact O-CA 3.36Å; K276-Y316 HydrophobicContact CB-CE1 4.49Å; K276-Y316 HydrophobicContact CD-CE1 4.27Å; K276-Y316 HydrophobicContact CG-CD1 3.83Å; K276-Y316 HydrophobicContact CG-CE1 3.37Å; T312-Y316 CarbonylContact C-O 3.57Å; T312-Y316 WeakPolarHBondContact CA-O 3.34Å; T313-Y316 PolarHBondContact N-O 3.32Å; T313-Y316 VanDerWaalsContact OG1-CB 3.31Å; T313-Y316 WeakPolarHBondContact OG1-CB 3.47Å; T313-Y316 WeakPolarHBondContact OG1-CD2 3.28Å; T313-Y316 PolarHBondContact OG1-N 3.03Å; Y316-L542 HydrophobicContact CE2-CB 4.38Å; Y316-L542 HydrophobicContact CE2-CD1 4.37Å; Y316-T543 PolarHBondContact OH-N 2.94Å; Y316-T543 PolarHBondContact OH-O 3.43Å
317	L	88.6	Confident	89.6	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	134.7	159.7	-59.4	177.1	0	0	0	109	I274 L275 K277 L280 T289 T312 F561 F564	I274-L317 WeakPolarHBondContact CA-O 3.28Å; L275-L317 HydrophobicContact CB-CB 4.35Å; L275-L317 PolarHBondContact N-O 2.99Å; L275-L317 PolarHBondContact O-N 2.88Å; K277-L317 HydrophobicContact CG-CD2 4.34Å; K277-L317 HydrophobicContact CG-CG 4.11Å; L280-L317 HydrophobicContact CD1-CD1 3.49Å; L280-L317 VanDerWaalsContact CD1-CD1 3.49Å; L280-L317 HydrophobicContact CD1-CG 4.36Å; T289-L317 HydrophobicContact CG2-CD1 3.65Å; T312-L317 HydrophobicContact CG2-CD2 3.29Å; L317-F561 HydrophobicContact CD1-CD1 3.88Å; L317-F561 HydrophobicContact CD1-CE1 3.55Å; L317-F561 HydrophobicContact CD1-CZ 4.48Å; L317-F561 HydrophobicContact CD2-CD1 3.53Å; L317-F561 HydrophobicContact CD2-CE1 4.06Å; L317-F561 HydrophobicContact CD2-CG 4.18Å; L317-F561 HydrophobicContact CG-CD1 4.21Å; L317-F561 HydrophobicContact CG-CE1 4.23Å; L317-F564 HydrophobicContact CB-CE1 3.83Å; L317-F564 HydrophobicContact CB-CE2 4.45Å; L317-F564 HydrophobicContact CB-CZ 3.73Å; L317-F564 HydrophobicContact CD1-CE2 3.93Å; L317-F564 HydrophobicContact CD1-CZ 3.99Å; L317-F564 HydrophobicContact CD2-CD1 4.02Å; L317-F564 HydrophobicContact CD2-CD2 4.03Å; L317-F564 HydrophobicContact CD2-CE1 4.06Å; L317-F564 HydrophobicContact CD2-CE2 4.06Å; L317-F564 HydrophobicContact CD2-CG 3.99Å; L317-F564 HydrophobicContact CD2-CZ 4.03Å; L317-F564 HydrophobicContact CG-CE1 4.42Å; L317-F564 HydrophobicContact CG-CE2 4.37Å; L317-F564 HydrophobicContact CG-CZ 4.13Å
318	C	90.8	Very high	89.9	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	123.4	-177.5	-58.4	0	0	0	0	109.7	K273 S310 F311	K273-C318 WeakPolarHBondContact O-CA 3.34Å; S310-C318 VanDerWaalsContact CA-O 3.31Å; S310-C318 WeakPolarHBondContact CA-O 3.41Å; F311-C318 HydrophobicContact CD1-CB 4.29Å; F311-C318 HydrophobicContact CD2-CB 3.8Å; F311-C318 HydrophobicContact CE1-CB 3.98Å; F311-C318 HydrophobicContact CE2-CB 3.43Å; F311-C318 VanDerWaalsContact CE2-CB 3.43Å; F311-C318 VanDerWaalsContact CE2-SG 3.59Å; F311-C318 HydrophobicContact CG-CB 4.21Å; F311-C318 HydrophobicContact CZ-CB 3.54Å; F311-C318 PolarHBondContact N-O 2.81Å; F311-C318 PolarHBondContact O-N 3.31Å
319	F	91	Very high	90.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	119.5	167.3	-58.1	-87.1	0	0	0	108.6	M272 K273 L275 T289 E292 N293 L296 L307 M321 F564	M272-F319 CarbonylContact C-O 3.6Å; M272-F319 VanDerWaalsContact CA-O 3.25Å; M272-F319 WeakPolarHBondContact CA-O 3.47Å; K273-F319 HydrophobicContact CB-CB 4.22Å; K273-F319 HydrophobicContact CB-CD2 4.37Å; K273-F319 HydrophobicContact CD-CD2 4.26Å; K273-F319 PolarHBondContact N-O 3.32Å; K273-F319 PolarHBondContact O-N 3.25Å; L275-F319 HydrophobicContact CD1-CD2 4.36Å; L275-F319 HydrophobicContact CD1-CE2 3.78Å; T289-F319 HydrophobicContact CG2-CE2 3.95Å; T289-F319 HydrophobicContact CG2-CZ 3.92Å; E292-F319 HydrophobicContact CG-CZ 4.39Å; N293-F319 HydrophobicContact CB-CE1 3.59Å; N293-F319 HydrophobicContact CB-CZ 4.08Å; L296-F319 HydrophobicContact CD1-CD1 4.38Å; L307-F319 HydrophobicContact CD1-CB 3.9Å; L307-F319 HydrophobicContact CD1-CD1 3.9Å; L307-F319 HydrophobicContact CD1-CG 4.43Å; F319-M321 HydrophobicContact CB-CG 4.22Å; F319-M321 HydrophobicContact CB-SD 4.34Å; F319-F564 HydrophobicContact CD1-CE1 4.3Å; F319-F564 HydrophobicContact CD1-CZ 4.12Å; F319-F564 HydrophobicContact CD2-CZ 4.31Å; F319-F564 HydrophobicContact CE1-CE1 4.03Å; F319-F564 HydrophobicContact CE1-CE2 4.15Å; F319-F564 AromaticContact CE1-CZ 3.43Å; F319-F564 HydrophobicContact CE1-CZ 3.43Å; F319-F564 VanDerWaalsContact CE1-CZ 3.43Å; F319-F564 HydrophobicContact CE2-CE1 4.42Å; F319-F564 AromaticContact CE2-CZ 3.67Å; F319-F564 HydrophobicContact CE2-CZ 3.67Å; F319-F564 HydrophobicContact CZ-CE1 4.14Å; F319-F564 AromaticContact CZ-CE2 3.9Å; F319-F564 HydrophobicContact CZ-CE2 3.9Å; F319-F564 AromaticContact CZ-CZ 3.22Å; F319-F564 HydrophobicContact CZ-CZ 3.22Å
320	V	92.9	Very high	90.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	111.5	172.9	-172.8	0	0	0	0	107.5	F244 Y270 M272 R308 Y309 F311	F244-V320 HydrophobicContact CE1-CG1 3.94Å; F244-V320 HydrophobicContact CE1-CG2 4.29Å; F244-V320 HydrophobicContact CE2-CG2 4.22Å; F244-V320 HydrophobicContact CZ-CG1 4.27Å; F244-V320 HydrophobicContact CZ-CG2 3.92Å; Y270-V320 VanDerWaalsContact CB-CG1 3.41Å; Y270-V320 HydrophobicContact CD1-CG1 4.09Å; Y270-V320 HydrophobicContact CD2-CG1 4Å; Y270-V320 HydrophobicContact CG-CG1 3.58Å; M272-V320 HydrophobicContact CE-CG2 3.8Å; M272-V320 HydrophobicContact CG-CG2 4.17Å; R308-V320 WeakPolarHBondContact CA-O 3.41Å; R308-V320 VanDerWaalsContact CB-O 3.3Å; R308-V320 WeakPolarHBondContact CB-O 3.25Å; R308-V320 PolarHBondContact N-O 3.22Å; Y309-V320 HydrophobicContact CD2-CB 3.84Å; Y309-V320 HydrophobicContact CD2-CG1 3.84Å; Y309-V320 HydrophobicContact CD2-CG2 4.23Å; Y309-V320 HydrophobicContact CG-CB 4.37Å; Y309-V320 PolarHBondContact N-O 2.81Å; Y309-V320 VanDerWaalsContact N-O 3.08Å; Y309-V320 PolarHBondContact O-N 2.88Å; F311-V320 HydrophobicContact CE1-CG2 3.69Å; F311-V320 HydrophobicContact CZ-CG2 4.46Å
321	M	92.6	Very high	90.9	Very high	23 Å²	23	24.8 Å²	24.8	11%	0.113	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	161.3	-173.4	-56.7	172.3	-60.9	0	0	110.1	Y270 A271 K273 L296 E306 L307 F319 Y323	Y270-M321 WeakPolarHBondContact CA-O 3.47Å; Y270-M321 WeakPolarHBondContact CB-O 3.32Å; A271-M321 PolarHBondContact N-O 2.86Å; A271-M321 PolarHBondContact O-N 3.36Å; K273-M321 HydrophobicContact CB-CE 3.78Å; L296-M321 HydrophobicContact CD1-SD 4.22Å; E306-M321 CarbonylContact O-C 3.54Å; E306-M321 VanDerWaalsContact O-CA 3.3Å; E306-M321 WeakPolarHBondContact O-CA 3.48Å; L307-M321 HydrophobicContact CD1-CG 4Å; F319-M321 HydrophobicContact CB-CG 4.22Å; F319-M321 HydrophobicContact CB-SD 4.34Å; M321-Y323 PolarHBondContact O-N 3.27Å
322	E	91.8	Very high	91.3	Very high	29 Å²	29	24.4 Å²	24.4	14%	0.136	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-41.5	128.7	163.8	172.1	-176.7	119.4	0	0	111.7	E306 V324 K382	E306-E322 PolarHBondContact O-N 3.29Å; E322-V324 HydrophobicContact CG-CG2 3.95Å; E322-V324 VanDerWaalsContact OE1-CG2 3.22Å; E322-V324 WeakPolarHBondContact OE1-CG2 2.84Å; E322-K382 WeakPolarHBondContact OE1-CD 3.4Å; E322-K382 WeakPolarHBondContact OE1-CE 3.3Å; E322-K382 WeakPolarHBondContact OE1-CG 3.36Å; E322-K382 IonicContact OE1-NZ 3.72Å; E322-K382 PolarHBondContact OE1-NZ 2.88Å; E322-K382 IonicContact OE2-NZ 3.6Å; E322-K382 PolarHBondContact OE2-NZ 3.48Å
323	Y	93.8	Very high	91.9	Very high	32 Å²	32	22.4 Å²	22.4	13%	0.125	12%	0.115	C	C	.	.			trans	-86	121.9	169.4	178	-129	0	0	0	110.4	L250 L260 A271 M321 N325 E525 D527	L250-Y323 HydrophobicContact CD1-CD2 3.69Å; L250-Y323 HydrophobicContact CD1-CE2 3.56Å; L250-Y323 HydrophobicContact CD2-CE2 3.82Å; L250-Y323 HydrophobicContact CG-CE2 4.35Å; L260-Y323 HydrophobicContact CD1-CD1 3.58Å; L260-Y323 HydrophobicContact CD1-CD2 4.04Å; L260-Y323 HydrophobicContact CD1-CE1 3.78Å; L260-Y323 HydrophobicContact CD1-CE2 4.26Å; L260-Y323 HydrophobicContact CD1-CG 3.71Å; L260-Y323 HydrophobicContact CD2-CE1 4.42Å; A271-Y323 HydrophobicContact CB-CD2 4.39Å; M321-Y323 PolarHBondContact O-N 3.27Å; Y323-N325 HydrophobicContact CD1-CB 4.16Å; Y323-N325 HydrophobicContact CE1-CB 3.54Å; Y323-E525 WeakPolarHBondContact CD1-O 3.48Å; Y323-E525 WeakPolarHBondContact CE1-O 3.45Å; Y323-D527 PolarHBondContact OH-O 2.93Å
324	V	94.5	Very high	92.3	Very high	12 Å²	12	26.9 Å²	26.9	7%	0.073	13%	0.134	C	C	.	.			trans	-107.4	106	179.9	-176	0	0	0	0	108.9	T305 E322 L374 L375 D376 K382	T305-V324 HydrophobicContact CG2-CG2 3.99Å; E322-V324 HydrophobicContact CG-CG2 3.95Å; E322-V324 VanDerWaalsContact OE1-CG2 3.22Å; E322-V324 WeakPolarHBondContact OE1-CG2 2.84Å; V324-L374 HydrophobicContact CB-CB 4.11Å; V324-L374 HydrophobicContact CB-CD1 3.88Å; V324-L374 HydrophobicContact CG1-CB 3.55Å; V324-L374 HydrophobicContact CG1-CD1 4.27Å; V324-L374 HydrophobicContact CG2-CD1 4.36Å; V324-L375 WeakPolarHBondContact CG1-O 3.24Å; V324-D376 HydrophobicContact CG1-CB 4.44Å; V324-K382 HydrophobicContact CG1-CB 4.12Å; V324-K382 HydrophobicContact CG1-CG 4.17Å; V324-K382 HydrophobicContact CG2-CB 3.95Å; V324-K382 HydrophobicContact CG2-CG 3.95Å
325	N	93.5	Very high	92.8	Very high	10 Å²	10	28.3 Å²	28.3	5%	0.053	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-4.4	-166.4	67.2	-20.7	0	0	0	115.1	Y323 G327 K377 V522 D524 Y530	Y323-N325 HydrophobicContact CD1-CB 4.16Å; Y323-N325 HydrophobicContact CE1-CB 3.54Å; N325-G327 VanDerWaalsContact C-N 3.25Å; N325-G327 PolarHBondContact O-N 3.24Å; N325-K377 WeakPolarHBondContact OD1-CB 3.3Å; N325-K377 PolarHBondContact OD1-N 3.04Å; N325-V522 WeakPolarHBondContact O-CG1 3.23Å; N325-D524 PolarHBondContact ND2-O 3.38Å; N325-Y530 WeakPolarHBondContact O-CD2 3.32Å
326	G	95.2	Very high	93.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-3.6	177.7	0	0	0	0	0	114.1	H332 L375	G326-H332 PolarHBondContact O-CE1 3.21Å; G326-H332 PolarHBondContact O-NE2 3.35Å; G326-L375 CarbonylContact C-O 3.46Å; G326-L375 WeakPolarHBondContact CA-O 3.36Å; G326-L375 PolarHBondContact N-O 2.77Å
327	G	93.5	Very high	93.7	Very high	9 Å²	9	38.8 Å²	38.8	9%	0.093	17%	0.171	C	C	.	.			trans	82.8	175.6	175.2	0	0	0	0	0	114.6	N325 L374 L375	N325-G327 VanDerWaalsContact C-N 3.25Å; N325-G327 PolarHBondContact O-N 3.24Å; G327-L374 WeakPolarHBondContact O-CA 3.41Å; G327-L375 PolarHBondContact O-N 2.59Å
328	E	94.4	Very high	94.1	Very high	62 Å²	62	41.4 Å²	41.4	29%	0.29	19%	0.187	S	C	.	.	B	Isolated β-bridge	trans	-70.6	140.8	179.1	-66.5	167.7	-159.3	0	0	111.7	F330 F331 H332 L374	E328-F330 HydrophobicContact CB-CB 4.41Å; E328-F330 PolarHBondContact O-N 3.46Å; E328-F331 HydrophobicContact CB-CB 4.49Å; E328-F331 WeakPolarHBondContact O-CB 3.3Å; E328-F331 PolarHBondContact O-N 2.7Å; E328-F331 VanDerWaalsContact O-N 3.17Å; E328-H332 PolarHBondContact O-CD2 3.44Å; E328-H332 PolarHBondContact O-N 3.08Å; E328-L374 HydrophobicContact CB-CD2 4.19Å; E328-L374 HydrophobicContact CG-CD2 3.51Å
329	L	96.2	Very high	94.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.3	-34	175.5	-165.4	64.6	0	0	0	110.8	F331 H332 L333 F339 Y347 L370 L373 L375 I381 M435	L329-F331 PolarHBondContact O-N 2.93Å; L329-H332 PolarHBondContact O-N 3.39Å; L329-L333 PolarHBondContact O-N 3.08Å; L329-F339 HydrophobicContact CD1-CE2 3.76Å; L329-F339 HydrophobicContact CD1-CZ 4.21Å; L329-F339 HydrophobicContact CG-CE2 4.12Å; L329-Y347 HydrophobicContact CD1-CD2 3.92Å; L329-Y347 HydrophobicContact CD1-CE2 3.7Å; L329-Y347 HydrophobicContact CD2-CD2 4.41Å; L329-L370 HydrophobicContact CD2-CD2 3.94Å; L329-L370 HydrophobicContact CG-CD2 4.3Å; L329-L373 HydrophobicContact CB-CB 3.91Å; L329-L373 VanDerWaalsContact CB-O 3.28Å; L329-L373 WeakPolarHBondContact CB-O 3.43Å; L329-L373 HydrophobicContact CD2-CB 4.06Å; L329-L373 HydrophobicContact CD2-CD1 3.95Å; L329-L373 PolarHBondContact N-O 3.05Å; L329-L375 HydrophobicContact CD1-CD1 3.98Å; L329-L375 HydrophobicContact CD1-CD2 4.15Å; L329-L375 HydrophobicContact CD1-CG 4.15Å; L329-I381 HydrophobicContact CD1-CD1 4.46Å; L329-I381 HydrophobicContact CD2-CD1 3.92Å; L329-M435 HydrophobicContact CD2-SD 3.85Å
330	F	94.5	Very high	94.8	Very high	53 Å²	53	45.1 Å²	45.1	23%	0.232	21%	0.212	C	C	.	.	H	α-helix	trans	-52.8	-50.6	171.5	-177.4	-107.9	0	0	0	112.5	E328 H332 L333 Q334 L370 E371	E328-F330 HydrophobicContact CB-CB 4.41Å; E328-F330 PolarHBondContact O-N 3.46Å; F330-H332 VanDerWaalsContact C-N 3.31Å; F330-H332 PolarHBondContact O-N 2.63Å; F330-L333 PolarHBondContact O-N 3.24Å; F330-Q334 HydrophobicContact CD1-CG 4.38Å; F330-Q334 HydrophobicContact CE1-CG 4.08Å; F330-Q334 HydrophobicContact CE2-CG 4.3Å; F330-Q334 HydrophobicContact CZ-CG 4.06Å; F330-Q334 WeakPolarHBondContact O-CG 3.46Å; F330-Q334 PolarHBondContact O-N 3.06Å; F330-L370 HydrophobicContact CB-CB 3.8Å; F330-L370 HydrophobicContact CD2-CB 4.08Å; F330-L370 HydrophobicContact CD2-CD1 4.21Å; F330-L370 HydrophobicContact CG-CB 4.45Å; F330-L370 PolarHBondContact N-O 2.88Å; F330-E371 HydrophobicContact CB-CG 4.33Å; F330-E371 HydrophobicContact CG-CG 4.28Å
331	F	93.7	Very high	95	Very high	84 Å²	84	47.4 Å²	47.4	37%	0.368	22%	0.222	S	C	.	.	H	α-helix	trans	-57.9	-43.4	178.4	172.5	-93.2	0	0	0	112.1	E328 L329 Q334 R335 Y530	E328-F331 HydrophobicContact CB-CB 4.49Å; E328-F331 WeakPolarHBondContact O-CB 3.3Å; E328-F331 PolarHBondContact O-N 2.7Å; E328-F331 VanDerWaalsContact O-N 3.17Å; L329-F331 PolarHBondContact O-N 2.93Å; F331-Q334 PolarHBondContact O-N 3.47Å; F331-R335 PolarHBondContact O-N 3.43Å; F331-R335 VanDerWaalsContact O-N 3.13Å; F331-Y530 HydrophobicContact CD1-CD1 4.15Å; F331-Y530 AromaticContact CE1-CD1 3.66Å; F331-Y530 HydrophobicContact CE1-CD1 3.66Å; F331-Y530 HydrophobicContact CE1-CE1 4.09Å; F331-Y530 HydrophobicContact CZ-CD1 4.47Å
332	H	95.7	Very high	95.3	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-69.5	-37.3	179.3	-63.7	-60.5	0	0	0	112.5	G326 E328 L329 F330 R335 D336 F339 W518 Y530	G326-H332 PolarHBondContact O-CE1 3.21Å; G326-H332 PolarHBondContact O-NE2 3.35Å; E328-H332 PolarHBondContact O-CD2 3.44Å; E328-H332 PolarHBondContact O-N 3.08Å; L329-H332 PolarHBondContact O-N 3.39Å; F330-H332 VanDerWaalsContact C-N 3.31Å; F330-H332 PolarHBondContact O-N 2.63Å; H332-R335 PolarHBondContact O-N 3.31Å; H332-D336 WeakPolarHBondContact O-CB 3.49Å; H332-D336 PolarHBondContact O-N 3.07Å; H332-F339 HydrophobicContact CB-CE1 4.46Å; H332-F339 HydrophobicContact CB-CZ 3.97Å; H332-W518 AromaticContact CE1-CH2 3.19Å; H332-W518 WeakPolarHBondContact CE1-CH2 3.41Å; H332-W518 AromaticContact CE1-CZ3 3.73Å; H332-W518 AromaticContact ND1-CH2 3.4Å; H332-W518 WeakPolarHBondContact ND1-CH2 3.27Å; H332-W518 AromaticContact ND1-CZ2 3.92Å; H332-W518 AromaticContact ND1-CZ3 3.92Å; H332-W518 AromaticContact NE2-CH2 3.76Å; H332-W518 AromaticContact NE2-CZ3 3.83Å; H332-Y530 AromaticContact CE1-CD1 3.77Å; H332-Y530 AromaticContact CE1-CE1 3.67Å
333	L	96.4	Very high	95.6	Very high	7 Å²	7	52.8 Å²	52.8	4%	0.037	25%	0.246	C	C	.	.	H	α-helix	trans	-67.6	-41	176.1	-174.9	63.5	0	0	0	111.2	L329 F330 R335 D336 R337 F339 L370 E434	L329-L333 PolarHBondContact O-N 3.08Å; F330-L333 PolarHBondContact O-N 3.24Å; L333-R335 VanDerWaalsContact C-N 3.29Å; L333-R335 PolarHBondContact O-N 2.88Å; L333-D336 PolarHBondContact O-N 2.91Å; L333-R337 CarbonylContact O-C 3.53Å; L333-R337 WeakPolarHBondContact O-CA 3.44Å; L333-R337 PolarHBondContact O-N 2.85Å; L333-F339 HydrophobicContact CB-CE1 4.31Å; L333-F339 HydrophobicContact CB-CE2 4.24Å; L333-F339 HydrophobicContact CB-CZ 3.88Å; L333-F339 HydrophobicContact CD1-CD1 3.95Å; L333-F339 HydrophobicContact CD1-CD2 4.13Å; L333-F339 HydrophobicContact CD1-CE1 4.03Å; L333-F339 HydrophobicContact CD1-CE2 4.19Å; L333-F339 HydrophobicContact CD1-CG 4Å; L333-F339 HydrophobicContact CD1-CZ 4.15Å; L333-L370 HydrophobicContact CD2-CD1 3.41Å; L333-L370 VanDerWaalsContact CD2-CD1 3.41Å; L333-E434 HydrophobicContact CD2-CG 3.87Å
334	Q	94.2	Very high	95.8	Very high	124 Å²	124	51.2 Å²	51.2	58%	0.579	24%	0.24	S	C	*	.	H	α-helix	trans	-59.4	-41.1	175.1	-75.8	-166.4	-29.2	0	0	112.2	F330 F331	F330-Q334 HydrophobicContact CD1-CG 4.38Å; F330-Q334 HydrophobicContact CE1-CG 4.08Å; F330-Q334 HydrophobicContact CE2-CG 4.3Å; F330-Q334 HydrophobicContact CZ-CG 4.06Å; F330-Q334 WeakPolarHBondContact O-CG 3.46Å; F330-Q334 PolarHBondContact O-N 3.06Å; F331-Q334 PolarHBondContact O-N 3.47Å
335	R	93.5	Very high	96	Very high	111 Å²	111	53 Å²	53	42%	0.419	25%	0.247	S	C	.	.	H	α-helix	trans	-66.9	-48.9	177.8	-171	-169.9	70.5	-150.6	-6.7	112.2	F331 H332 L333 R337	F331-R335 PolarHBondContact O-N 3.43Å; F331-R335 VanDerWaalsContact O-N 3.13Å; H332-R335 PolarHBondContact O-N 3.31Å; L333-R335 VanDerWaalsContact C-N 3.29Å; L333-R335 PolarHBondContact O-N 2.88Å; R335-R337 VanDerWaalsContact C-N 3.33Å
336	D	94.9	Very high	96.2	Very high	57 Å²	57	53.4 Å²	53.4	31%	0.305	25%	0.248	S	C	.	.	H	α-helix	trans	-86.2	-8.8	-173.4	-60.8	-7	0	0	0	112.3	H332 L333 V338 F339 R343	H332-D336 WeakPolarHBondContact O-CB 3.49Å; H332-D336 PolarHBondContact O-N 3.07Å; L333-D336 PolarHBondContact O-N 2.91Å; D336-V338 PolarHBondContact O-N 2.96Å; D336-F339 HydrophobicContact CB-CD1 4.25Å; D336-F339 HydrophobicContact CB-CE1 4.01Å; D336-R343 IonicContact OD2-CZ 2.93Å; D336-R343 IonicContact OD2-NH1 2.74Å; D336-R343 PolarHBondContact OD2-NH1 2.86Å
337	R	95.8	Very high	96.4	Very high	201 Å²	201	53.4 Å²	53.4	76%	0.758	25%	0.248	S	C	*	.	S	Bend	trans	63.2	-43.4	-173.7	-56.8	-167.1	178.1	-156.2	-0	115.8	L333 R335 G438	L333-R337 CarbonylContact O-C 3.53Å; L333-R337 WeakPolarHBondContact O-CA 3.44Å; L333-R337 PolarHBondContact O-N 2.85Å; R335-R337 VanDerWaalsContact C-N 3.33Å; R337-G438 WeakPolarHBondContact O-CA 3.35Å
338	V	97.1	Very high	96.6	Very high	56 Å²	56	53 Å²	53	34%	0.339	24%	0.244	S	C	.	.	S	Bend	trans	-146.5	139.7	-178.5	-178.5	0	0	0	0	108.5	D336 M436	D336-V338 PolarHBondContact O-N 2.96Å; V338-M436 WeakPolarHBondContact CG1-O 3.39Å
339	F	98.1	Very high	96.9	Very high	7 Å²	7	50 Å²	50	3%	0.031	23%	0.23	C	C	.	.			trans	-92.5	148.7	168.8	-64.5	-19.6	0	0	0	111.5	L329 H332 L333 D336 R343 Y347 M435	L329-F339 HydrophobicContact CD1-CE2 3.76Å; L329-F339 HydrophobicContact CD1-CZ 4.21Å; L329-F339 HydrophobicContact CG-CE2 4.12Å; H332-F339 HydrophobicContact CB-CE1 4.46Å; H332-F339 HydrophobicContact CB-CZ 3.97Å; L333-F339 HydrophobicContact CB-CE1 4.31Å; L333-F339 HydrophobicContact CB-CE2 4.24Å; L333-F339 HydrophobicContact CB-CZ 3.88Å; L333-F339 HydrophobicContact CD1-CD1 3.95Å; L333-F339 HydrophobicContact CD1-CD2 4.13Å; L333-F339 HydrophobicContact CD1-CE1 4.03Å; L333-F339 HydrophobicContact CD1-CE2 4.19Å; L333-F339 HydrophobicContact CD1-CG 4Å; L333-F339 HydrophobicContact CD1-CZ 4.15Å; D336-F339 HydrophobicContact CB-CD1 4.25Å; D336-F339 HydrophobicContact CB-CE1 4.01Å; F339-R343 HydrophobicContact CB-CB 4.24Å; F339-R343 HydrophobicContact CB-CG 4.18Å; F339-R343 HydrophobicContact CD2-CG 4.31Å; F339-R343 VanDerWaalsContact CE1-CZ 3.43Å; F339-R343 VanDerWaalsContact CE1-NH1 3.26Å; F339-R343 HydrophobicContact CG-CG 4.18Å; F339-Y347 HydrophobicContact CD2-CD2 4.22Å; F339-Y347 HydrophobicContact CD2-CE2 4.09Å; F339-Y347 HydrophobicContact CE2-CD2 4.24Å; F339-Y347 AromaticContact CE2-CE2 3.91Å; F339-Y347 HydrophobicContact CE2-CE2 3.91Å; F339-M435 HydrophobicContact CB-CB 4.45Å; F339-M435 HydrophobicContact CD2-CB 3.98Å; F339-M435 HydrophobicContact CD2-CG 3.76Å; F339-M435 HydrophobicContact CD2-SD 3.89Å; F339-M435 HydrophobicContact CE2-CG 4.15Å; F339-M435 HydrophobicContact CE2-SD 4.23Å; F339-M435 PolarHBondContact N-O 3.22Å
340	S	97.8	Very high	97	Very high	70 Å²	70	50 Å²	50	49%	0.49	23%	0.23	S	C	.	.			trans	-62.3	154.6	169.8	64.5	0	0	0	0	110.6	E342 R343 A344	S340-E342 PolarHBondContact O-N 3.19Å; S340-R343 PolarHBondContact O-N 2.94Å; S340-R343 VanDerWaalsContact O-N 3.07Å; S340-R343 WeakPolarHBondContact OG-CB 3.21Å; S340-R343 PolarHBondContact OG-N 3.09Å; S340-A344 PolarHBondContact O-N 3.5Å
341	E	98.1	Very high	97.2	Very high	48 Å²	48	47.5 Å²	47.5	22%	0.224	22%	0.219	C	C	.	.	H	α-helix	trans	-58.9	-32.8	176	-66.3	-172.2	-166.2	0	0	112.1	K345 M436 L465 S466 A469 F500	E341-K345 WeakPolarHBondContact O-CB 3.42Å; E341-K345 PolarHBondContact O-N 3Å; E341-M436 HydrophobicContact CB-SD 4.47Å; E341-M436 HydrophobicContact CG-SD 4.02Å; E341-L465 HydrophobicContact CG-CD2 4.46Å; E341-L465 WeakPolarHBondContact OE1-CA 3.43Å; E341-S466 PolarHBondContact OE1-N 3.29Å; E341-S466 PolarHBondContact OE1-OG 2.92Å; E341-S466 VanDerWaalsContact OE2-CB 3.25Å; E341-S466 WeakPolarHBondContact OE2-CB 3.32Å; E341-S466 PolarHBondContact OE2-OG 3.2Å; E341-A469 HydrophobicContact CG-CB 4.42Å; E341-F500 HydrophobicContact CB-CE2 4.46Å
342	E	97.8	Very high	97.4	Very high	147 Å²	147	43.5 Å²	43.5	69%	0.687	20%	0.201	S	C	*	.	H	α-helix	trans	-64.9	-43.2	175.1	-174.3	175.4	-164.2	0	0	112	S340 K345 F346	S340-E342 PolarHBondContact O-N 3.19Å; E342-K345 PolarHBondContact O-N 3.35Å; E342-F346 PolarHBondContact O-N 2.9Å
343	R	98.1	Very high	97.5	Very high	18 Å²	18	43.5 Å²	43.5	7%	0.068	20%	0.201	C	C	.	.	H	α-helix	trans	-68	-44.4	176.6	-178.5	171	-173.6	-165.7	-3.5	111.8	D336 F339 S340 K345 F346 Y347 P517	D336-R343 IonicContact OD2-CZ 2.93Å; D336-R343 IonicContact OD2-NH1 2.74Å; D336-R343 PolarHBondContact OD2-NH1 2.86Å; F339-R343 HydrophobicContact CB-CB 4.24Å; F339-R343 HydrophobicContact CB-CG 4.18Å; F339-R343 HydrophobicContact CD2-CG 4.31Å; F339-R343 VanDerWaalsContact CE1-CZ 3.43Å; F339-R343 VanDerWaalsContact CE1-NH1 3.26Å; F339-R343 HydrophobicContact CG-CG 4.18Å; S340-R343 PolarHBondContact O-N 2.94Å; S340-R343 VanDerWaalsContact O-N 3.07Å; S340-R343 WeakPolarHBondContact OG-CB 3.21Å; S340-R343 PolarHBondContact OG-N 3.09Å; R343-K345 VanDerWaalsContact C-N 3.32Å; R343-K345 PolarHBondContact O-N 2.96Å; R343-F346 PolarHBondContact O-N 3.38Å; R343-Y347 HydrophobicContact CG-CD2 4Å; R343-Y347 HydrophobicContact CG-CE2 3.41Å; R343-Y347 VanDerWaalsContact CG-CE2 3.41Å; R343-Y347 PolarHBondContact NE-OH 3.36Å; R343-Y347 VanDerWaalsContact NE-OH 3.09Å; R343-Y347 PolarHBondContact NH2-OH 3.28Å; R343-Y347 WeakPolarHBondContact O-CD2 3.37Å; R343-Y347 PolarHBondContact O-N 2.99Å; R343-Y347 VanDerWaalsContact O-N 3.14Å; R343-P517 HydrophobicContact CB-CB 4.47Å; R343-P517 HydrophobicContact CB-CG 4.11Å; R343-P517 HydrophobicContact CG-CG 3.97Å
344	A	98.5	Very high	97.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.5	-35.7	175.5	0	0	0	0	0	112.2	S340 G348 M435 M436	S340-A344 PolarHBondContact O-N 3.5Å; A344-G348 WeakPolarHBondContact O-CA 3.41Å; A344-G348 PolarHBondContact O-N 2.83Å; A344-M435 HydrophobicContact CB-CB 4.04Å; A344-M435 HydrophobicContact CB-CE 4.31Å; A344-M436 HydrophobicContact CB-CG 3.4Å; A344-M436 VanDerWaalsContact CB-CG 3.4Å; A344-M436 HydrophobicContact CB-SD 4.17Å
345	K	98.7	Very high	97.7	Very high	49 Å²	49	37.2 Å²	37.2	21%	0.213	17%	0.172	C	C	.	.	H	α-helix	trans	-63.3	-45.5	173.5	-175.5	-170.4	-55.5	-173.5	0	111.7	E341 E342 R343 G348 A349 F500 F501 S503 V504	E341-K345 WeakPolarHBondContact O-CB 3.42Å; E341-K345 PolarHBondContact O-N 3Å; E342-K345 PolarHBondContact O-N 3.35Å; R343-K345 VanDerWaalsContact C-N 3.32Å; R343-K345 PolarHBondContact O-N 2.96Å; K345-G348 PolarHBondContact O-N 3.37Å; K345-A349 VanDerWaalsContact O-CB 3.26Å; K345-A349 WeakPolarHBondContact O-CB 3.38Å; K345-A349 PolarHBondContact O-N 2.97Å; K345-F500 HydrophobicContact CB-CD1 4.48Å; K345-F500 HydrophobicContact CB-CE1 3.6Å; K345-F500 HydrophobicContact CB-CZ 3.76Å; K345-F500 WeakPolarHBondContact CD-O 3.34Å; K345-F500 WeakPolarHBondContact CE-O 3.25Å; K345-F500 HydrophobicContact CG-CD1 4.18Å; K345-F500 HydrophobicContact CG-CE1 3.77Å; K345-F500 HydrophobicContact CG-CZ 4.28Å; K345-F500 PolarHBondContact NZ-O 3.03Å; K345-F501 HydrophobicContact CG-CD1 3.69Å; K345-F501 HydrophobicContact CG-CE1 3.94Å; K345-F501 WeakPolarHBondContact O-CE1 3.31Å; K345-S503 PolarHBondContact NZ-OG 2.77Å; K345-V504 HydrophobicContact CD-CG2 4.17Å; K345-V504 HydrophobicContact CG-CG2 4.22Å
346	F	98.7	Very high	97.8	Very high	18 Å²	18	32 Å²	32	8%	0.079	15%	0.152	C	C	.	.	H	α-helix	trans	-58	-54.5	177.5	-179.6	-91.5	0	0	0	111.1	E342 R343 G348 A349 E350 H380 L509 I514 P516 P517	E342-F346 PolarHBondContact O-N 2.9Å; R343-F346 PolarHBondContact O-N 3.38Å; F346-G348 PolarHBondContact O-N 3.23Å; F346-A349 PolarHBondContact O-N 3.36Å; F346-E350 HydrophobicContact CE1-CG 4.4Å; F346-E350 WeakPolarHBondContact CE1-OE1 3.37Å; F346-E350 WeakPolarHBondContact CZ-OE1 3.27Å; F346-E350 PolarHBondContact O-N 2.77Å; F346-H380 AromaticContact CZ-CE1 3.92Å; F346-H380 AromaticContact CZ-ND1 3.69Å; F346-L509 HydrophobicContact CD2-CD1 4.27Å; F346-L509 HydrophobicContact CE2-CD1 3.83Å; F346-L509 HydrophobicContact CZ-CD1 4.36Å; F346-I514 HydrophobicContact CD2-CG2 4.16Å; F346-I514 HydrophobicContact CE2-CB 4.21Å; F346-I514 HydrophobicContact CE2-CG2 3.81Å; F346-P516 HydrophobicContact CE1-CB 3.95Å; F346-P516 HydrophobicContact CE1-CG 4.16Å; F346-P516 HydrophobicContact CZ-CB 3.97Å; F346-P516 HydrophobicContact CZ-CG 3.82Å; F346-P517 HydrophobicContact CB-CG 3.98Å; F346-P517 VanDerWaalsContact CD1-CD 3.46Å; F346-P517 HydrophobicContact CD1-CG 4.14Å; F346-P517 VanDerWaalsContact CG-CD 3.47Å; F346-P517 HydrophobicContact CG-CG 4.06Å
347	Y	98.8	Very high	97.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.5	-43	178.8	-60.1	-36.8	0	0	0	112.6	L329 F339 R343 A349 E350 I351 L375 I381 M435	L329-Y347 HydrophobicContact CD1-CD2 3.92Å; L329-Y347 HydrophobicContact CD1-CE2 3.7Å; L329-Y347 HydrophobicContact CD2-CD2 4.41Å; F339-Y347 HydrophobicContact CD2-CD2 4.22Å; F339-Y347 HydrophobicContact CD2-CE2 4.09Å; F339-Y347 HydrophobicContact CE2-CD2 4.24Å; F339-Y347 AromaticContact CE2-CE2 3.91Å; F339-Y347 HydrophobicContact CE2-CE2 3.91Å; R343-Y347 HydrophobicContact CG-CD2 4Å; R343-Y347 HydrophobicContact CG-CE2 3.41Å; R343-Y347 VanDerWaalsContact CG-CE2 3.41Å; R343-Y347 PolarHBondContact NE-OH 3.36Å; R343-Y347 VanDerWaalsContact NE-OH 3.09Å; R343-Y347 PolarHBondContact NH2-OH 3.28Å; R343-Y347 WeakPolarHBondContact O-CD2 3.37Å; R343-Y347 PolarHBondContact O-N 2.99Å; R343-Y347 VanDerWaalsContact O-N 3.14Å; Y347-A349 VanDerWaalsContact C-N 3.28Å; Y347-A349 PolarHBondContact O-N 2.72Å; Y347-E350 PolarHBondContact O-N 3.22Å; Y347-I351 WeakPolarHBondContact O-CD1 3.31Å; Y347-I351 VanDerWaalsContact O-CG1 3.22Å; Y347-I351 WeakPolarHBondContact O-CG1 3.26Å; Y347-I351 PolarHBondContact O-N 3.44Å; Y347-L375 HydrophobicContact CD1-CD2 4.3Å; Y347-L375 HydrophobicContact CE1-CD2 3.72Å; Y347-I381 HydrophobicContact CD1-CD1 3.85Å; Y347-I381 HydrophobicContact CD1-CG1 3.71Å; Y347-I381 HydrophobicContact CG-CD1 4.01Å; Y347-I381 HydrophobicContact CG-CG1 4.15Å; Y347-M435 HydrophobicContact CD2-SD 3.88Å
348	G	98.7	Very high	97.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59.1	-37.8	177.4	0	0	0	0	0	112.9	A344 K345 F346 T352	A344-G348 WeakPolarHBondContact O-CA 3.41Å; A344-G348 PolarHBondContact O-N 2.83Å; K345-G348 PolarHBondContact O-N 3.37Å; F346-G348 PolarHBondContact O-N 3.23Å; G348-T352 WeakPolarHBondContact O-CB 3.37Å; G348-T352 PolarHBondContact O-N 3.34Å; G348-T352 PolarHBondContact O-OG1 3.49Å
349	A	98.7	Very high	97.4	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-69.2	-41	176.5	0	0	0	0	0	112.3	K345 F346 Y347 T352 L353 F501 V504 W506 L509	K345-A349 VanDerWaalsContact O-CB 3.26Å; K345-A349 WeakPolarHBondContact O-CB 3.38Å; K345-A349 PolarHBondContact O-N 2.97Å; F346-A349 PolarHBondContact O-N 3.36Å; Y347-A349 VanDerWaalsContact C-N 3.28Å; Y347-A349 PolarHBondContact O-N 2.72Å; A349-T352 WeakPolarHBondContact O-CB 3.48Å; A349-T352 PolarHBondContact O-N 2.83Å; A349-L353 PolarHBondContact O-N 3.16Å; A349-L353 VanDerWaalsContact O-N 3.08Å; A349-F501 HydrophobicContact CB-CD1 4.03Å; A349-F501 HydrophobicContact CB-CE1 3.88Å; A349-V504 HydrophobicContact CB-CG1 4.15Å; A349-V504 HydrophobicContact CB-CG2 4.25Å; A349-W506 HydrophobicContact CB-CH2 3.97Å; A349-W506 HydrophobicContact CB-CZ3 3.79Å; A349-L509 HydrophobicContact CB-CD2 3.42Å; A349-L509 VanDerWaalsContact CB-CD2 3.42Å
350	E	98.7	Very high	96.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63.8	-42.3	175.1	-66.3	-170.4	149.2	0	0	111.9	F303 F346 Y347 T352 L353 A354 H380 I381 L509	F303-E350 HydrophobicContact CD1-CB 4.17Å; F303-E350 HydrophobicContact CD1-CG 4.19Å; F303-E350 HydrophobicContact CD2-CB 3.73Å; F303-E350 HydrophobicContact CD2-CG 4.11Å; F303-E350 WeakPolarHBondContact CD2-O 3.35Å; F303-E350 HydrophobicContact CE1-CB 4.31Å; F303-E350 VanDerWaalsContact CE1-CD 3.45Å; F303-E350 HydrophobicContact CE1-CG 3.84Å; F303-E350 WeakPolarHBondContact CE1-OE1 3.49Å; F303-E350 HydrophobicContact CE2-CB 3.92Å; F303-E350 HydrophobicContact CE2-CG 3.79Å; F303-E350 HydrophobicContact CG-CB 3.89Å; F303-E350 HydrophobicContact CG-CG 4.33Å; F303-E350 HydrophobicContact CZ-CB 4.19Å; F303-E350 HydrophobicContact CZ-CG 3.64Å; F303-E350 WeakPolarHBondContact CZ-OE1 3.27Å; F346-E350 HydrophobicContact CE1-CG 4.4Å; F346-E350 WeakPolarHBondContact CE1-OE1 3.37Å; F346-E350 WeakPolarHBondContact CZ-OE1 3.27Å; F346-E350 PolarHBondContact O-N 2.77Å; Y347-E350 PolarHBondContact O-N 3.22Å; E350-T352 VanDerWaalsContact C-N 3.32Å; E350-T352 PolarHBondContact O-N 3.09Å; E350-L353 PolarHBondContact O-N 3.48Å; E350-A354 PolarHBondContact O-N 3.44Å; E350-H380 IonicContact OE1-CE1 2.6Å; E350-H380 IonicContact OE1-CG 2.87Å; E350-H380 IonicContact OE1-ND1 3.25Å; E350-H380 PolarHBondContact OE1-ND1 3.39Å; E350-I381 HydrophobicContact CB-CB 4.07Å; E350-I381 HydrophobicContact CB-CG1 4.25Å; E350-I381 WeakPolarHBondContact OE2-CB 3.46Å; E350-I381 WeakPolarHBondContact OE2-CG1 3.3Å; E350-I381 PolarHBondContact OE2-N 2.9Å; E350-L509 HydrophobicContact CG-CD1 3.83Å; E350-L509 HydrophobicContact CG-CD2 4.2Å; E350-L509 HydrophobicContact CG-CG 4.13Å
351	I	98.7	Very high	96.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-63	-41.3	175.4	-62.3	161.2	0	0	0	110.3	Y347 L353 A354 L355 L368 L373 I381 I383 L428 V431	Y347-I351 WeakPolarHBondContact O-CD1 3.31Å; Y347-I351 VanDerWaalsContact O-CG1 3.22Å; Y347-I351 WeakPolarHBondContact O-CG1 3.26Å; Y347-I351 PolarHBondContact O-N 3.44Å; I351-L353 PolarHBondContact O-N 3.16Å; I351-A354 WeakPolarHBondContact O-CB 3.45Å; I351-A354 PolarHBondContact O-N 3.49Å; I351-L355 HydrophobicContact CG2-CD1 4.07Å; I351-L355 HydrophobicContact CG2-CG 4.17Å; I351-L355 WeakPolarHBondContact O-CG 3.41Å; I351-L355 PolarHBondContact O-N 2.7Å; I351-L368 HydrophobicContact CG2-CD1 4.06Å; I351-L368 HydrophobicContact CG2-CD2 3.81Å; I351-L373 HydrophobicContact CD1-CD1 3.63Å; I351-L373 HydrophobicContact CD1-CD2 4.02Å; I351-L373 HydrophobicContact CD1-CG 4.49Å; I351-L373 HydrophobicContact CG1-CD1 4.46Å; I351-L373 HydrophobicContact CG1-CD2 3.95Å; I351-I381 HydrophobicContact CG1-CG1 4.44Å; I351-I381 HydrophobicContact CG1-CG2 3.99Å; I351-I383 HydrophobicContact CG2-CD1 4.38Å; I351-L428 HydrophobicContact CB-CD1 4.04Å; I351-L428 HydrophobicContact CG2-CD1 3.78Å; I351-V431 HydrophobicContact CD1-CG1 4.18Å
352	T	98.6	Very high	95.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.3	-44.1	178.1	-63.7	0	0	0	0	111.8	G348 A349 E350 A354 G356 W425 L428 V492 V495 M496 W506	G348-T352 WeakPolarHBondContact O-CB 3.37Å; G348-T352 PolarHBondContact O-N 3.34Å; G348-T352 PolarHBondContact O-OG1 3.49Å; A349-T352 WeakPolarHBondContact O-CB 3.48Å; A349-T352 PolarHBondContact O-N 2.83Å; E350-T352 VanDerWaalsContact C-N 3.32Å; E350-T352 PolarHBondContact O-N 3.09Å; T352-A354 VanDerWaalsContact C-N 3.35Å; T352-G356 PolarHBondContact O-N 3.49Å; T352-W425 HydrophobicContact CG2-CH2 4.23Å; T352-W425 HydrophobicContact CG2-CZ3 4.11Å; T352-L428 VanDerWaalsContact OG1-CD2 3.31Å; T352-L428 WeakPolarHBondContact OG1-CD2 3.27Å; T352-V492 HydrophobicContact CG2-CG2 3.78Å; T352-V495 HydrophobicContact CG2-CB 4.12Å; T352-V495 HydrophobicContact CG2-CG1 3.76Å; T352-M496 HydrophobicContact CG2-CG 3.97Å; T352-W506 HydrophobicContact CG2-CH2 4.14Å; T352-W506 HydrophobicContact CG2-CZ3 4.24Å
353	L	97.9	Very high	95.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-62.6	-42.9	175.3	-74.6	176	0	0	0	112	L89 L93 H301 F303 A349 E350 I351 G356 Y357 M496 W506 L509 I510	L89-L353 HydrophobicContact CD1-CD2 4.06Å; L89-L353 HydrophobicContact CD2-CD2 4.41Å; L93-L353 HydrophobicContact CD1-CD2 3.77Å; L93-L353 HydrophobicContact CD2-CD2 4.38Å; H301-L353 PolarHBondContact NE2-O 3.31Å; F303-L353 HydrophobicContact CD2-CB 4.31Å; F303-L353 HydrophobicContact CE2-CB 4.43Å; F303-L353 HydrophobicContact CE2-CD1 3.9Å; A349-L353 PolarHBondContact O-N 3.16Å; A349-L353 VanDerWaalsContact O-N 3.08Å; E350-L353 PolarHBondContact O-N 3.48Å; I351-L353 PolarHBondContact O-N 3.16Å; L353-G356 PolarHBondContact O-N 2.94Å; L353-Y357 PolarHBondContact O-N 3.2Å; L353-M496 HydrophobicContact CD2-CE 4.13Å; L353-W506 HydrophobicContact CD1-CE3 4.05Å; L353-W506 HydrophobicContact CD2-CE3 3.79Å; L353-W506 HydrophobicContact CD2-CZ3 4.33Å; L353-W506 HydrophobicContact CG-CE3 3.76Å; L353-W506 HydrophobicContact CG-CZ3 4.01Å; L353-L509 HydrophobicContact CD1-CB 4.2Å; L353-L509 HydrophobicContact CD1-CD2 3.82Å; L353-L509 HydrophobicContact CD1-CG 4.03Å; L353-I510 HydrophobicContact CB-CD1 4.42Å; L353-I510 HydrophobicContact CD1-CB 4.04Å; L353-I510 HydrophobicContact CD1-CD1 4.12Å
354	A	97	Very high	94.9	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-62.4	-51.3	178.3	0	0	0	0	0	111.8	H301 F303 M304 E350 I351 T352 G356 Y357 L358 I383	H301-A354 VanDerWaalsContact CE1-CA 3.41Å; H301-A354 WeakPolarHBondContact CE1-CA 3.15Å; H301-A354 PolarHBondContact CE1-N 3.27Å; F303-A354 HydrophobicContact CB-CB 4.22Å; M304-A354 VanDerWaalsContact CE-CA 3.46Å; M304-A354 HydrophobicContact CE-CB 3.52Å; M304-A354 WeakPolarHBondContact CE-O 3.47Å; M304-A354 HydrophobicContact CG-CB 4.3Å; E350-A354 PolarHBondContact O-N 3.44Å; I351-A354 WeakPolarHBondContact O-CB 3.45Å; I351-A354 PolarHBondContact O-N 3.49Å; T352-A354 VanDerWaalsContact C-N 3.35Å; A354-G356 VanDerWaalsContact C-N 3.34Å; A354-G356 PolarHBondContact O-N 3.22Å; A354-Y357 WeakPolarHBondContact O-CB 3.43Å; A354-Y357 PolarHBondContact O-N 2.82Å; A354-L358 PolarHBondContact O-N 3.46Å; A354-L358 VanDerWaalsContact O-N 3.09Å; A354-I383 HydrophobicContact CB-CD1 3.51Å; A354-I383 HydrophobicContact CB-CG1 4.3Å
355	L	97.2	Very high	94.7	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60.4	-43.9	177.3	-68.8	179.2	0	0	0	112	I351 Y357 L358 H359 L368 D424 W425 L428	I351-L355 HydrophobicContact CG2-CD1 4.07Å; I351-L355 HydrophobicContact CG2-CG 4.17Å; I351-L355 WeakPolarHBondContact O-CG 3.41Å; I351-L355 PolarHBondContact O-N 2.7Å; L355-Y357 VanDerWaalsContact C-N 3.27Å; L355-Y357 PolarHBondContact O-N 2.87Å; L355-L358 PolarHBondContact O-N 3.08Å; L355-L358 VanDerWaalsContact O-N 3.07Å; L355-H359 PolarHBondContact O-N 3.09Å; L355-L368 HydrophobicContact CD1-CD2 3.89Å; L355-D424 HydrophobicContact CD1-CB 4Å; L355-D424 HydrophobicContact CD2-CB 3.96Å; L355-D424 HydrophobicContact CG-CB 4.49Å; L355-W425 HydrophobicContact CB-CH2 3.92Å; L355-W425 HydrophobicContact CB-CZ3 4.09Å; L355-W425 HydrophobicContact CD1-CE3 4.05Å; L355-W425 HydrophobicContact CD1-CH2 4.46Å; L355-W425 HydrophobicContact CD1-CZ3 3.83Å; L355-L428 HydrophobicContact CD1-CB 4.4Å
356	G	95.8	Very high	94.4	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-57.8	-39.7	176.4	0	0	0	0	0	113	T352 L353 A354 H359 H360	T352-G356 PolarHBondContact O-N 3.49Å; L353-G356 PolarHBondContact O-N 2.94Å; A354-G356 VanDerWaalsContact C-N 3.34Å; A354-G356 PolarHBondContact O-N 3.22Å; G356-H359 PolarHBondContact O-N 3.13Å; G356-H360 WeakPolarHBondContact O-CB 3.49Å; G356-H360 PolarHBondContact O-N 3.01Å
357	Y	94.1	Very high	94.1	Very high	19 Å²	19	11 Å²	11	8%	0.075	5%	0.052	C	C	.	.	H	α-helix	trans	-63.4	-44.8	173	172.8	-95.1	0	0	0	112.3	M92 Q298 K300 H301 M304 L353 A354 L355 H360 Q361	M92-Y357 HydrophobicContact CE-CD2 4.2Å; Q298-Y357 PolarHBondContact O-OH 3.18Å; K300-Y357 PolarHBondContact N-OH 3.38Å; H301-Y357 HydrophobicContact CB-CD1 3.94Å; H301-Y357 HydrophobicContact CB-CE1 4.16Å; H301-Y357 HydrophobicContact CB-CG 4.29Å; H301-Y357 AromaticContact CD2-CG 3.73Å; M304-Y357 HydrophobicContact CE-CD1 3.97Å; L353-Y357 PolarHBondContact O-N 3.2Å; A354-Y357 WeakPolarHBondContact O-CB 3.43Å; A354-Y357 PolarHBondContact O-N 2.82Å; L355-Y357 VanDerWaalsContact C-N 3.27Å; L355-Y357 PolarHBondContact O-N 2.87Å; Y357-H360 WeakPolarHBondContact O-CB 3.2Å; Y357-H360 PolarHBondContact O-N 3.05Å; Y357-Q361 HydrophobicContact CD1-CG 4.49Å; Y357-Q361 HydrophobicContact CE1-CG 4.06Å; Y357-Q361 HydrophobicContact CE2-CG 4.25Å; Y357-Q361 WeakPolarHBondContact O-CG 3.42Å; Y357-Q361 PolarHBondContact O-N 3.32Å
358	L	92.2	Very high	94	Very high	2 Å²	2	11.2 Å²	11.2	1%	0.01	5%	0.053	C	C	.	.	H	α-helix	trans	-61.3	-47.3	176	-71	176.3	0	0	0	111.5	V295 M304 A354 L355 H360 Q361 N362 V363 Y365 F386	V295-L358 HydrophobicContact CG1-CD2 4.4Å; M304-L358 HydrophobicContact CE-CD1 3.92Å; M304-L358 HydrophobicContact CE-CD2 3.97Å; M304-L358 HydrophobicContact CE-CG 3.5Å; M304-L358 HydrophobicContact SD-CD1 4.29Å; M304-L358 HydrophobicContact SD-CD2 3.9Å; M304-L358 HydrophobicContact SD-CG 4.04Å; A354-L358 PolarHBondContact O-N 3.46Å; A354-L358 VanDerWaalsContact O-N 3.09Å; L355-L358 PolarHBondContact O-N 3.08Å; L355-L358 VanDerWaalsContact O-N 3.07Å; L358-H360 VanDerWaalsContact C-N 3.25Å; L358-H360 PolarHBondContact O-N 3.14Å; L358-Q361 CarbonylContact O-C 3.52Å; L358-Q361 WeakPolarHBondContact O-CA 3.43Å; L358-Q361 WeakPolarHBondContact O-CB 3.31Å; L358-Q361 PolarHBondContact O-N 2.87Å; L358-N362 PolarHBondContact O-N 3.36Å; L358-N362 VanDerWaalsContact O-N 3.12Å; L358-V363 CarbonylContact C-O 3.54Å; L358-V363 HydrophobicContact CB-CB 4.19Å; L358-V363 WeakPolarHBondContact CB-O 3.39Å; L358-V363 HydrophobicContact CD2-CB 4.23Å; L358-V363 HydrophobicContact CD2-CG1 4.19Å; L358-V363 PolarHBondContact O-N 3.47Å; L358-V363 VanDerWaalsContact O-O 3.12Å; L358-Y365 HydrophobicContact CD1-CD2 4.12Å; L358-Y365 HydrophobicContact CD1-CG 4.3Å; L358-F386 HydrophobicContact CD1-CE1 4.33Å; L358-F386 HydrophobicContact CD2-CE1 4.45Å
359	H	93.2	Very high	93.8	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.005	6%	0.057	C	C	.	.	H	α-helix	trans	-59.6	-38.9	178.2	-70.4	-177.2	0	0	0	111.4	L355 G356 Q361 N362 V363 R421 D424 W425 D491	L355-H359 PolarHBondContact O-N 3.09Å; G356-H359 PolarHBondContact O-N 3.13Å; H359-Q361 VanDerWaalsContact C-N 3.33Å; H359-Q361 PolarHBondContact O-N 3.28Å; H359-N362 WeakPolarHBondContact O-CA 3.47Å; H359-N362 PolarHBondContact O-N 2.92Å; H359-V363 PolarHBondContact CD2-O 3.48Å; H359-V363 PolarHBondContact N-O 2.81Å; H359-R421 PolarHBondContact CE1-O 3.3Å; H359-R421 PolarHBondContact O-NH2 2.97Å; H359-D424 IonicContact CD2-OD2 2.88Å; H359-D424 IonicContact NE2-OD2 2.64Å; H359-D424 PolarHBondContact NE2-OD2 3.39Å; H359-W425 AromaticContact CE1-CE2 3.74Å; H359-W425 AromaticContact CE1-CZ2 3.86Å; H359-W425 AromaticContact CE1-NE1 3.65Å; H359-W425 AromaticContact ND1-CE2 3.93Å; H359-W425 AromaticContact ND1-CZ2 3.72Å; H359-W425 AromaticContact ND1-NE1 3.86Å; H359-D491 IonicContact CE1-OD1 2.8Å; H359-D491 IonicContact CG-OD1 3.04Å; H359-D491 IonicContact CG-OD2 2.71Å; H359-D491 IonicContact ND1-OD1 2.69Å; H359-D491 PolarHBondContact ND1-OD1 3.4Å; H359-D491 IonicContact ND1-OD2 3.18Å; H359-D491 PolarHBondContact ND1-OD2 3.15Å
360	H	87.8	Confident	93.7	Very high	50 Å²	50	12.1 Å²	12.1	23%	0.231	6%	0.057	C	C	.	.	H	α-helix	trans	-62.8	-37.7	172.9	178	83.3	0	0	0	112.4	G91 M92 Q94 G356 Y357 L358 N362	G91-H360 PolarHBondContact O-CE1 3.06Å; M92-H360 WeakPolarHBondContact O-CB 3.37Å; M92-H360 VanDerWaalsContact O-CG 3.32Å; Q94-H360 VanDerWaalsContact C-ND1 3.31Å; Q94-H360 PolarHBondContact O-CE1 3.49Å; Q94-H360 PolarHBondContact O-ND1 2.57Å; G356-H360 WeakPolarHBondContact O-CB 3.49Å; G356-H360 PolarHBondContact O-N 3.01Å; Y357-H360 WeakPolarHBondContact O-CB 3.2Å; Y357-H360 PolarHBondContact O-N 3.05Å; L358-H360 VanDerWaalsContact C-N 3.25Å; L358-H360 PolarHBondContact O-N 3.14Å; H360-N362 PolarHBondContact O-N 2.78Å
361	Q	85.2	Confident	93.4	Very high	73 Å²	73	14.5 Å²	14.5	34%	0.341	7%	0.068	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	5.5	170.8	-60.3	-54.9	-41.8	0	0	113.6	Y357 L358 H359 V363	Y357-Q361 HydrophobicContact CD1-CG 4.49Å; Y357-Q361 HydrophobicContact CE1-CG 4.06Å; Y357-Q361 HydrophobicContact CE2-CG 4.25Å; Y357-Q361 WeakPolarHBondContact O-CG 3.42Å; Y357-Q361 PolarHBondContact O-N 3.32Å; L358-Q361 CarbonylContact O-C 3.52Å; L358-Q361 WeakPolarHBondContact O-CA 3.43Å; L358-Q361 WeakPolarHBondContact O-CB 3.31Å; L358-Q361 PolarHBondContact O-N 2.87Å; H359-Q361 VanDerWaalsContact C-N 3.33Å; H359-Q361 PolarHBondContact O-N 3.28Å; Q361-V363 VanDerWaalsContact C-N 3.28Å; Q361-V363 HydrophobicContact CB-CG2 4.32Å; Q361-V363 PolarHBondContact O-N 2.74Å
362	N	86.9	Confident	93.2	Very high	56 Å²	56	15.1 Å²	15.1	30%	0.299	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	36.7	-174	-51	-65.3	0	0	0	113.2	L358 H359 H360 E391 D392 M393 Y394 R421	L358-N362 PolarHBondContact O-N 3.36Å; L358-N362 VanDerWaalsContact O-N 3.12Å; H359-N362 WeakPolarHBondContact O-CA 3.47Å; H359-N362 PolarHBondContact O-N 2.92Å; H360-N362 PolarHBondContact O-N 2.78Å; N362-E391 CarbonylContact O-C 3.58Å; N362-D392 PolarHBondContact O-N 3.36Å; N362-M393 PolarHBondContact O-N 3.05Å; N362-Y394 WeakPolarHBondContact OD1-CA 3.48Å; N362-Y394 WeakPolarHBondContact OD1-CB 3.14Å; N362-R421 PolarHBondContact OD1-NH2 3.11Å; N362-R421 VanDerWaalsContact OD1-NH2 3.09Å
363	V	86.4	Confident	93.1	Very high	6 Å²	6	15.1 Å²	15.1	4%	0.036	7%	0.072	C	C	.	.			trans	-113.7	133.9	174	-179.2	0	0	0	0	108.9	V295 L358 H359 Q361 C389 K390 E391	V295-V363 HydrophobicContact CG1-CG1 4.22Å; V295-V363 HydrophobicContact CG2-CG1 4.06Å; V295-V363 HydrophobicContact CG2-CG2 4.21Å; L358-V363 CarbonylContact C-O 3.54Å; L358-V363 HydrophobicContact CB-CB 4.19Å; L358-V363 WeakPolarHBondContact CB-O 3.39Å; L358-V363 HydrophobicContact CD2-CB 4.23Å; L358-V363 HydrophobicContact CD2-CG1 4.19Å; L358-V363 PolarHBondContact O-N 3.47Å; L358-V363 VanDerWaalsContact O-O 3.12Å; H359-V363 PolarHBondContact CD2-O 3.48Å; H359-V363 PolarHBondContact N-O 2.81Å; Q361-V363 VanDerWaalsContact C-N 3.28Å; Q361-V363 HydrophobicContact CB-CG2 4.32Å; Q361-V363 PolarHBondContact O-N 2.74Å; V363-C389 HydrophobicContact CG1-CB 3.9Å; V363-K390 CarbonylContact C-O 3.55Å; V363-K390 VanDerWaalsContact CA-O 3.26Å; V363-K390 WeakPolarHBondContact CA-O 3.35Å; V363-E391 HydrophobicContact CG2-CG 4.22Å
364	V	90.4	Very high	93.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.08	C	C	.	.	B	Isolated β-bridge	trans	-107.9	134.6	167.5	-178.1	0	0	0	0	108.1	R366 C389 K390 M393 R421 V423 D424	V364-R366 HydrophobicContact CB-CG 4.17Å; V364-R366 HydrophobicContact CG1-CG 3.51Å; V364-C389 CarbonylContact O-C 3.56Å; V364-C389 VanDerWaalsContact O-CA 3.3Å; V364-C389 WeakPolarHBondContact O-CA 3.48Å; V364-K390 PolarHBondContact N-O 3.16Å; V364-K390 PolarHBondContact O-N 3.2Å; V364-M393 HydrophobicContact CB-CB 4.34Å; V364-M393 HydrophobicContact CB-CG 4.23Å; V364-M393 HydrophobicContact CG2-CB 3.44Å; V364-M393 VanDerWaalsContact CG2-CB 3.44Å; V364-M393 HydrophobicContact CG2-CE 4.17Å; V364-M393 HydrophobicContact CG2-CG 3.77Å; V364-R421 HydrophobicContact CG2-CB 4.13Å; V364-R421 HydrophobicContact CG2-CG 3.57Å; V364-V423 HydrophobicContact CG1-CG2 3.62Å; V364-D424 WeakPolarHBondContact CG1-OD2 3.42Å
365	Y	94.2	Very high	93.1	Very high	1 Å²	1	16.7 Å²	16.7	0%	0.004	8%	0.08	C	C	.	.			trans	-79.6	-47.2	-171.4	-178	-112.4	0	0	0	113.2	L358 D367 L368 N372 I383 A384 D385 F386 L388 D424	L358-Y365 HydrophobicContact CD1-CD2 4.12Å; L358-Y365 HydrophobicContact CD1-CG 4.3Å; Y365-D367 VanDerWaalsContact C-N 3.26Å; Y365-D367 HydrophobicContact CE1-CB 4.5Å; Y365-D367 VanDerWaalsContact CE1-O 3.27Å; Y365-D367 WeakPolarHBondContact CE1-O 3.46Å; Y365-D367 PolarHBondContact O-N 3.44Å; Y365-D367 VanDerWaalsContact O-N 3.16Å; Y365-L368 HydrophobicContact CD1-CB 4.01Å; Y365-L368 HydrophobicContact CE1-CB 4.16Å; Y365-L368 HydrophobicContact CE1-CD1 4.38Å; Y365-N372 WeakPolarHBondContact OH-CB 3.31Å; Y365-N372 PolarHBondContact OH-ND2 2.76Å; Y365-I383 HydrophobicContact CD2-CG2 4.36Å; Y365-I383 HydrophobicContact CE1-CG2 4Å; Y365-I383 HydrophobicContact CE2-CG2 3.68Å; Y365-I383 VanDerWaalsContact CZ-CG2 3.5Å; Y365-A384 PolarHBondContact OH-O 3.1Å; Y365-D385 WeakPolarHBondContact CE2-O 3.41Å; Y365-D385 PolarHBondContact OH-O 3.35Å; Y365-F386 HydrophobicContact CD2-CD1 4.1Å; Y365-F386 HydrophobicContact CD2-CE1 4.29Å; Y365-F386 HydrophobicContact CE2-CD1 4.06Å; Y365-F386 HydrophobicContact CE2-CE1 4.23Å; Y365-F386 HydrophobicContact CE2-CG 4.47Å; Y365-L388 CarbonylContact O-C 3.58Å; Y365-D424 WeakPolarHBondContact CB-OD2 3.48Å; Y365-D424 PolarHBondContact N-OD1 2.69Å; Y365-D424 PolarHBondContact N-OD2 3.17Å
366	R	93	Very high	93	Very high	18 Å²	18	17.5 Å²	17.5	7%	0.068	8%	0.084	C	C	.	.			trans	66.2	-2.3	171.9	-51.6	-171.8	-64.4	165.3	2.8	118.4	V364 L388 C403 Y419 V423 D424	V364-R366 HydrophobicContact CB-CG 4.17Å; V364-R366 HydrophobicContact CG1-CG 3.51Å; R366-L388 PolarHBondContact NE-O 3.4Å; R366-L388 PolarHBondContact NH2-O 2.91Å; R366-C403 PolarHBondContact NH1-SG 3.21Å; R366-C403 VanDerWaalsContact NH1-SG 3.36Å; R366-Y419 WeakPolarHBondContact CD-OH 3.36Å; R366-Y419 HydrophobicContact CG-CE2 4.42Å; R366-Y419 PolarHBondContact NH1-OH 2.95Å; R366-V423 HydrophobicContact CG-CG2 4.15Å; R366-D424 PolarHBondContact N-OD1 2.88Å
367	D	92.6	Very high	92.9	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.021	10%	0.102	C	C	.	.			trans	-132.2	43.1	177.3	-160.1	38.2	0	0	0	112.2	Y365 K369 N372 L388 T405	Y365-D367 VanDerWaalsContact C-N 3.26Å; Y365-D367 HydrophobicContact CE1-CB 4.5Å; Y365-D367 VanDerWaalsContact CE1-O 3.27Å; Y365-D367 WeakPolarHBondContact CE1-O 3.46Å; Y365-D367 PolarHBondContact O-N 3.44Å; Y365-D367 VanDerWaalsContact O-N 3.16Å; D367-K369 PolarHBondContact O-N 2.97Å; D367-K369 IonicContact OD1-NZ 3.7Å; D367-K369 PolarHBondContact OD1-NZ 3.37Å; D367-K369 IonicContact OD2-NZ 2.9Å; D367-K369 PolarHBondContact OD2-NZ 3.06Å; D367-N372 PolarHBondContact O-ND2 3.09Å; D367-N372 PolarHBondContact OD2-ND2 3.24Å; D367-L388 HydrophobicContact CB-CB 4.09Å; D367-L388 HydrophobicContact CB-CD1 3.77Å; D367-L388 HydrophobicContact CB-CG 4.38Å; D367-T405 PolarHBondContact OD1-OG1 3.09Å; D367-T405 VanDerWaalsContact OD1-OG1 3.09Å
368	L	96.7	Very high	92.9	Very high	6 Å²	6	21.5 Å²	21.5	3%	0.031	10%	0.103	C	C	.	.			trans	-74	109.9	178	-172.7	59.8	0	0	0	111	I351 L355 Y365 L373 Y408 L428 V431	I351-L368 HydrophobicContact CG2-CD1 4.06Å; I351-L368 HydrophobicContact CG2-CD2 3.81Å; L355-L368 HydrophobicContact CD1-CD2 3.89Å; Y365-L368 HydrophobicContact CD1-CB 4.01Å; Y365-L368 HydrophobicContact CE1-CB 4.16Å; Y365-L368 HydrophobicContact CE1-CD1 4.38Å; L368-L373 HydrophobicContact CD1-CD1 4.24Å; L368-L373 HydrophobicContact CD1-CD2 3.95Å; L368-L373 HydrophobicContact CD1-CG 4.26Å; L368-Y408 VanDerWaalsContact O-CD1 3.26Å; L368-Y408 WeakPolarHBondContact O-CD1 3.3Å; L368-L428 HydrophobicContact CD2-CB 4.07Å; L368-V431 HydrophobicContact CG-CG2 4.14Å
369	K	95.4	Very high	93.1	Very high	19 Å²	19	21.4 Å²	21.4	8%	0.083	10%	0.102	C	C	.	.			trans	-151.4	164.5	179.1	65.6	-168.7	-174.9	-146.2	0	111.3	D367 E371 N372 L373 T405 Y408	D367-K369 PolarHBondContact O-N 2.97Å; D367-K369 IonicContact OD1-NZ 3.7Å; D367-K369 PolarHBondContact OD1-NZ 3.37Å; D367-K369 IonicContact OD2-NZ 2.9Å; D367-K369 PolarHBondContact OD2-NZ 3.06Å; K369-E371 WeakPolarHBondContact CB-OE2 3.35Å; K369-E371 HydrophobicContact CG-CB 4.33Å; K369-E371 VanDerWaalsContact CG-OE2 3.27Å; K369-E371 WeakPolarHBondContact CG-OE2 3.23Å; K369-E371 PolarHBondContact O-N 3.42Å; K369-N372 WeakPolarHBondContact CE-ND2 3.5Å; K369-N372 WeakPolarHBondContact CE-OD1 3.29Å; K369-N372 HydrophobicContact CG-CB 4.1Å; K369-N372 PolarHBondContact O-N 3.23Å; K369-N372 VanDerWaalsContact O-N 3.16Å; K369-L373 WeakPolarHBondContact O-CG 3.2Å; K369-T405 HydrophobicContact CD-CG2 4.35Å; K369-T405 VanDerWaalsContact CD-OG1 3.23Å; K369-T405 WeakPolarHBondContact CD-OG1 3.49Å; K369-T405 PolarHBondContact NZ-OG1 3.22Å; K369-Y408 HydrophobicContact CB-CD1 3.88Å; K369-Y408 HydrophobicContact CB-CD2 3.91Å; K369-Y408 HydrophobicContact CB-CE1 3.68Å; K369-Y408 HydrophobicContact CB-CE2 3.69Å; K369-Y408 HydrophobicContact CB-CG 3.98Å
370	L	95.7	Very high	93.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-64.1	-28.2	-174.3	-69.4	179.4	0	0	0	113.9	L329 F330 L333 N372 L373 Y408 V431 E434 M435	L329-L370 HydrophobicContact CD2-CD2 3.94Å; L329-L370 HydrophobicContact CG-CD2 4.3Å; F330-L370 HydrophobicContact CB-CB 3.8Å; F330-L370 HydrophobicContact CD2-CB 4.08Å; F330-L370 HydrophobicContact CD2-CD1 4.21Å; F330-L370 HydrophobicContact CG-CB 4.45Å; F330-L370 PolarHBondContact N-O 2.88Å; L333-L370 HydrophobicContact CD2-CD1 3.41Å; L333-L370 VanDerWaalsContact CD2-CD1 3.41Å; L370-N372 VanDerWaalsContact C-N 3.33Å; L370-L373 HydrophobicContact CD2-CD1 4.5Å; L370-L373 PolarHBondContact O-N 3.06Å; L370-Y408 PolarHBondContact N-OH 2.96Å; L370-V431 HydrophobicContact CD2-CG1 3.9Å; L370-V431 HydrophobicContact CD2-CG2 4.49Å; L370-E434 HydrophobicContact CD1-CB 4.26Å; L370-E434 HydrophobicContact CD1-CG 3.84Å; L370-E434 VanDerWaalsContact CD1-OE2 3.28Å; L370-E434 WeakPolarHBondContact CD1-OE2 3.26Å; L370-M435 HydrophobicContact CD2-CG 4.17Å
371	E	92.2	Very high	93.8	Very high	49 Å²	49	19.1 Å²	19.1	23%	0.229	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-71.7	-28.7	178.6	-57.3	91.9	148.6	0	0	112	F330 K369 L373	F330-E371 HydrophobicContact CB-CG 4.33Å; F330-E371 HydrophobicContact CG-CG 4.28Å; K369-E371 WeakPolarHBondContact CB-OE2 3.35Å; K369-E371 HydrophobicContact CG-CB 4.33Å; K369-E371 VanDerWaalsContact CG-OE2 3.27Å; K369-E371 WeakPolarHBondContact CG-OE2 3.23Å; K369-E371 PolarHBondContact O-N 3.42Å; E371-L373 VanDerWaalsContact C-N 3.31Å
372	N	94.4	Very high	94.4	Very high	13 Å²	13	16.5 Å²	16.5	7%	0.07	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-88.6	0.8	177.7	-71.3	-6.9	0	0	0	113	Y365 D367 K369 L370 A384	Y365-N372 WeakPolarHBondContact OH-CB 3.31Å; Y365-N372 PolarHBondContact OH-ND2 2.76Å; D367-N372 PolarHBondContact O-ND2 3.09Å; D367-N372 PolarHBondContact OD2-ND2 3.24Å; K369-N372 WeakPolarHBondContact CE-ND2 3.5Å; K369-N372 WeakPolarHBondContact CE-OD1 3.29Å; K369-N372 HydrophobicContact CG-CB 4.1Å; K369-N372 PolarHBondContact O-N 3.23Å; K369-N372 VanDerWaalsContact O-N 3.16Å; L370-N372 VanDerWaalsContact C-N 3.33Å; N372-A384 PolarHBondContact O-N 3.46Å
373	L	97.5	Very high	94.9	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	111.7	177.7	-65.6	171.9	0	0	0	109.3	L329 I351 L368 K369 L370 E371 I381 I383 V431	L329-L373 HydrophobicContact CB-CB 3.91Å; L329-L373 VanDerWaalsContact CB-O 3.28Å; L329-L373 WeakPolarHBondContact CB-O 3.43Å; L329-L373 HydrophobicContact CD2-CB 4.06Å; L329-L373 HydrophobicContact CD2-CD1 3.95Å; L329-L373 PolarHBondContact N-O 3.05Å; I351-L373 HydrophobicContact CD1-CD1 3.63Å; I351-L373 HydrophobicContact CD1-CD2 4.02Å; I351-L373 HydrophobicContact CD1-CG 4.49Å; I351-L373 HydrophobicContact CG1-CD1 4.46Å; I351-L373 HydrophobicContact CG1-CD2 3.95Å; L368-L373 HydrophobicContact CD1-CD1 4.24Å; L368-L373 HydrophobicContact CD1-CD2 3.95Å; L368-L373 HydrophobicContact CD1-CG 4.26Å; K369-L373 WeakPolarHBondContact O-CG 3.2Å; L370-L373 HydrophobicContact CD2-CD1 4.5Å; L370-L373 PolarHBondContact O-N 3.06Å; E371-L373 VanDerWaalsContact C-N 3.31Å; L373-I381 HydrophobicContact CB-CD1 4.48Å; L373-I381 HydrophobicContact CD2-CG2 3.98Å; L373-I383 HydrophobicContact CD2-CG1 3.81Å; L373-V431 HydrophobicContact CD1-CG1 3.7Å; L373-V431 HydrophobicContact CD1-CG2 4.29Å
374	L	96.8	Very high	95.1	Very high	34 Å²	34	14.3 Å²	14.3	18%	0.178	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	162.1	176.5	-54.2	-178.1	0	0	0	110.7	V324 G327 E328 I381 K382 A384	V324-L374 HydrophobicContact CB-CB 4.11Å; V324-L374 HydrophobicContact CB-CD1 3.88Å; V324-L374 HydrophobicContact CG1-CB 3.55Å; V324-L374 HydrophobicContact CG1-CD1 4.27Å; V324-L374 HydrophobicContact CG2-CD1 4.36Å; G327-L374 WeakPolarHBondContact O-CA 3.41Å; E328-L374 HydrophobicContact CB-CD2 4.19Å; E328-L374 HydrophobicContact CG-CD2 3.51Å; L374-I381 CarbonylContact O-C 3.53Å; L374-I381 WeakPolarHBondContact O-CA 3.48Å; L374-K382 HydrophobicContact CB-CB 4.32Å; L374-K382 PolarHBondContact N-O 3.14Å; L374-K382 PolarHBondContact O-N 3.38Å; L374-A384 HydrophobicContact CD1-CB 4.03Å; L374-A384 HydrophobicContact CG-CB 4.27Å
375	L	97	Very high	94.9	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.5	170.3	-64.9	178.3	0	0	0	110.8	V324 G326 G327 L329 Y347 H380 I381 W518 P520	V324-L375 WeakPolarHBondContact CG1-O 3.24Å; G326-L375 CarbonylContact C-O 3.46Å; G326-L375 WeakPolarHBondContact CA-O 3.36Å; G326-L375 PolarHBondContact N-O 2.77Å; G327-L375 PolarHBondContact O-N 2.59Å; L329-L375 HydrophobicContact CD1-CD1 3.98Å; L329-L375 HydrophobicContact CD1-CD2 4.15Å; L329-L375 HydrophobicContact CD1-CG 4.15Å; Y347-L375 HydrophobicContact CD1-CD2 4.3Å; Y347-L375 HydrophobicContact CE1-CD2 3.72Å; L375-H380 CarbonylContact C-O 3.51Å; L375-H380 WeakPolarHBondContact CA-O 3.34Å; L375-I381 HydrophobicContact CD2-CD1 3.82Å; L375-I381 HydrophobicContact CD2-CG1 4.4Å; L375-W518 HydrophobicContact CD1-CE3 3.83Å; L375-W518 HydrophobicContact CD1-CZ3 3.61Å; L375-P520 HydrophobicContact CB-CG 4.41Å
376	D	95	Very high	94.4	Very high	17 Å²	17	17 Å²	17	9%	0.091	8%	0.084	C	C	.	.			trans	-72.4	172	170.5	77.4	10.9	0	0	0	112.1	V324 D378 G379 H380 K382 K512 P520	V324-D376 HydrophobicContact CG1-CB 4.44Å; D376-D378 PolarHBondContact O-N 2.92Å; D376-D378 WeakPolarHBondContact OD1-CA 3.46Å; D376-D378 WeakPolarHBondContact OD1-CB 3.47Å; D376-D378 PolarHBondContact OD1-N 2.84Å; D376-G379 PolarHBondContact O-N 2.91Å; D376-G379 PolarHBondContact OD1-N 2.97Å; D376-H380 PolarHBondContact N-O 3.14Å; D376-H380 IonicContact OD1-CD2 3.78Å; D376-H380 PolarHBondContact OD1-N 2.75Å; D376-K382 HydrophobicContact CB-CG 4.36Å; D376-K512 IonicContact OD2-NZ 2.76Å; D376-K512 PolarHBondContact OD2-NZ 3.12Å; D376-P520 VanDerWaalsContact O-CG 3.32Å; D376-P520 WeakPolarHBondContact O-CG 3.47Å
377	K	93.9	Very high	93.8	Very high	84 Å²	84	16.7 Å²	16.7	37%	0.365	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-21	178.8	66.5	-179.9	177.1	61.9	0	115	N325 K519 V522	N325-K377 WeakPolarHBondContact OD1-CB 3.3Å; N325-K377 PolarHBondContact OD1-N 3.04Å; K377-K519 WeakPolarHBondContact O-CE 3.4Å; K377-V522 HydrophobicContact CB-CG2 3.78Å
378	D	94.5	Very high	93.3	Very high	18 Å²	18	17.7 Å²	17.7	10%	0.096	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-16.1	-179.8	-69	-67.9	0	0	0	111.6	D376 P516 K519 R576	D376-D378 PolarHBondContact O-N 2.92Å; D376-D378 WeakPolarHBondContact OD1-CA 3.46Å; D376-D378 WeakPolarHBondContact OD1-CB 3.47Å; D376-D378 PolarHBondContact OD1-N 2.84Å; D378-P516 WeakPolarHBondContact O-CG 3.48Å; D378-K519 IonicContact OD1-NZ 3.9Å; D378-R576 IonicContact OD1-CZ 3.56Å; D378-R576 IonicContact OD1-NH1 3.96Å; D378-R576 IonicContact OD1-NH2 3.56Å; D378-R576 PolarHBondContact OD1-NH2 2.95Å; D378-R576 IonicContact OD2-CZ 2.7Å; D378-R576 IonicContact OD2-NH2 2.88Å; D378-R576 PolarHBondContact OD2-NH2 2.85Å
379	G	96.5	Very high	92.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	103.8	14.6	177.2	0	0	0	0	0	114.7	D376	D376-G379 PolarHBondContact O-N 2.91Å; D376-G379 PolarHBondContact OD1-N 2.97Å
380	H	98.1	Very high	92.1	Very high	4 Å²	4	20 Å²	20	2%	0.019	10%	0.102	C	C	.	.			trans	-89.3	150.7	176.5	-64.5	-90.2	0	0	0	111.9	F303 F346 E350 L375 D376 K512 I514 P516	F303-H380 HydrophobicContact CD1-CB 4.44Å; F303-H380 HydrophobicContact CE1-CB 4.28Å; F303-H380 AromaticContact CE1-ND1 3.98Å; F346-H380 AromaticContact CZ-CE1 3.92Å; F346-H380 AromaticContact CZ-ND1 3.69Å; E350-H380 IonicContact OE1-CE1 2.6Å; E350-H380 IonicContact OE1-CG 2.87Å; E350-H380 IonicContact OE1-ND1 3.25Å; E350-H380 PolarHBondContact OE1-ND1 3.39Å; L375-H380 CarbonylContact C-O 3.51Å; L375-H380 WeakPolarHBondContact CA-O 3.34Å; D376-H380 PolarHBondContact N-O 3.14Å; D376-H380 IonicContact OD1-CD2 3.78Å; D376-H380 PolarHBondContact OD1-N 2.75Å; H380-K512 WeakPolarHBondContact CD2-CE 3.28Å; H380-I514 PolarHBondContact CE1-O 2.88Å; H380-P516 VanDerWaalsContact NE2-CG 3.34Å; H380-P516 WeakPolarHBondContact NE2-CG 3.37Å
381	I	98.4	Very high	91.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	140.8	177.1	-68.6	-71.6	0	0	0	111.2	F303 L329 Y347 E350 I351 L373 L374 L375 I383	F303-I381 VanDerWaalsContact CA-O 3.23Å; F303-I381 WeakPolarHBondContact CA-O 3.27Å; L329-I381 HydrophobicContact CD1-CD1 4.46Å; L329-I381 HydrophobicContact CD2-CD1 3.92Å; Y347-I381 HydrophobicContact CD1-CD1 3.85Å; Y347-I381 HydrophobicContact CD1-CG1 3.71Å; Y347-I381 HydrophobicContact CG-CD1 4.01Å; Y347-I381 HydrophobicContact CG-CG1 4.15Å; E350-I381 HydrophobicContact CB-CB 4.07Å; E350-I381 HydrophobicContact CB-CG1 4.25Å; E350-I381 WeakPolarHBondContact OE2-CB 3.46Å; E350-I381 WeakPolarHBondContact OE2-CG1 3.3Å; E350-I381 PolarHBondContact OE2-N 2.9Å; I351-I381 HydrophobicContact CG1-CG1 4.44Å; I351-I381 HydrophobicContact CG1-CG2 3.99Å; L373-I381 HydrophobicContact CB-CD1 4.48Å; L373-I381 HydrophobicContact CD2-CG2 3.98Å; L374-I381 CarbonylContact O-C 3.53Å; L374-I381 WeakPolarHBondContact O-CA 3.48Å; L375-I381 HydrophobicContact CD2-CD1 3.82Å; L375-I381 HydrophobicContact CD2-CG1 4.4Å; I381-I383 HydrophobicContact CG2-CG1 4.2Å
382	K	97.4	Very high	90.9	Very high	17 Å²	17	24.7 Å²	24.7	7%	0.074	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	109.3	164.9	-72.6	-69.3	-172.3	151.5	0	108.9	P302 F303 M304 T305 E322 V324 L374 D376 A384	P302-K382 WeakPolarHBondContact O-CE 3.5Å; P302-K382 PolarHBondContact O-NZ 3.11Å; P302-K382 VanDerWaalsContact O-NZ 3.17Å; F303-K382 WeakPolarHBondContact O-CA 3.34Å; M304-K382 WeakPolarHBondContact O-CD 3.5Å; M304-K382 PolarHBondContact O-NZ 3.31Å; T305-K382 HydrophobicContact CG2-CB 4.12Å; E322-K382 WeakPolarHBondContact OE1-CD 3.4Å; E322-K382 WeakPolarHBondContact OE1-CE 3.3Å; E322-K382 WeakPolarHBondContact OE1-CG 3.36Å; E322-K382 IonicContact OE1-NZ 3.72Å; E322-K382 PolarHBondContact OE1-NZ 2.88Å; E322-K382 IonicContact OE2-NZ 3.6Å; E322-K382 PolarHBondContact OE2-NZ 3.48Å; V324-K382 HydrophobicContact CG1-CB 4.12Å; V324-K382 HydrophobicContact CG1-CG 4.17Å; V324-K382 HydrophobicContact CG2-CB 3.95Å; V324-K382 HydrophobicContact CG2-CG 3.95Å; L374-K382 HydrophobicContact CB-CB 4.32Å; L374-K382 PolarHBondContact N-O 3.14Å; L374-K382 PolarHBondContact O-N 3.38Å; D376-K382 HydrophobicContact CB-CG 4.36Å; K382-A384 PolarHBondContact O-N 3.09Å
383	I	96.6	Very high	90.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	126.6	170.4	-53.5	-174	0	0	0	108.3	F303 M304 T305 I351 A354 Y365 L373 I381 F386	F303-I383 PolarHBondContact O-N 2.96Å; M304-I383 HydrophobicContact CG-CB 4.32Å; T305-I383 PolarHBondContact N-O 3.33Å; T305-I383 PolarHBondContact OG1-O 2.84Å; I351-I383 HydrophobicContact CG2-CD1 4.38Å; A354-I383 HydrophobicContact CB-CD1 3.51Å; A354-I383 HydrophobicContact CB-CG1 4.3Å; Y365-I383 HydrophobicContact CD2-CG2 4.36Å; Y365-I383 HydrophobicContact CE1-CG2 4Å; Y365-I383 HydrophobicContact CE2-CG2 3.68Å; Y365-I383 VanDerWaalsContact CZ-CG2 3.5Å; L373-I383 HydrophobicContact CD2-CG1 3.81Å; I381-I383 HydrophobicContact CG2-CG1 4.2Å; I383-F386 HydrophobicContact CG2-CZ 4.41Å
384	A	91.7	Very high	89.3	Confident	16 Å²	16	27 Å²	27	13%	0.132	14%	0.136	C	C	.	.			trans	-113.2	-179.9	178.4	0	0	0	0	0	111.4	T305 Y365 N372 L374 K382	T305-A384 HydrophobicContact CG2-CB 3.96Å; Y365-A384 PolarHBondContact OH-O 3.1Å; N372-A384 PolarHBondContact O-N 3.46Å; L374-A384 HydrophobicContact CD1-CB 4.03Å; L374-A384 HydrophobicContact CG-CB 4.27Å; K382-A384 PolarHBondContact O-N 3.09Å
385	D	85.1	Confident	88.5	Confident	56 Å²	56	29.9 Å²	29.9	30%	0.299	15%	0.145	S	C	.	.			trans	49.6	87.2	174.8	-157.1	10.2	0	0	0	116	K273 Y365 G387	K273-D385 IonicContact NZ-OD1 3.78Å; K273-D385 PolarHBondContact NZ-OD1 3.24Å; Y365-D385 WeakPolarHBondContact CE2-O 3.41Å; Y365-D385 PolarHBondContact OH-O 3.35Å; D385-G387 VanDerWaalsContact C-N 3.28Å; D385-G387 PolarHBondContact O-N 3.12Å
386	F	84.4	Confident	87.3	Confident	1 Å²	1	33.2 Å²	33.2	0%	0.004	18%	0.18	C	C	.	.			trans	-93.1	15.4	-179.7	-62.4	-98.4	0	0	0	112.2	E292 V295 L296 M304 L358 Y365 I383 L388 C389	E292-F386 HydrophobicContact CG-CB 4.17Å; V295-F386 HydrophobicContact CG1-CB 4.34Å; V295-F386 HydrophobicContact CG1-CD1 3.8Å; V295-F386 HydrophobicContact CG1-CG 4.32Å; L296-F386 HydrophobicContact CD2-CD2 3.4Å; L296-F386 HydrophobicContact CD2-CE2 3.73Å; L296-F386 HydrophobicContact CD2-CG 4.14Å; L296-F386 HydrophobicContact CG-CB 4.39Å; L296-F386 HydrophobicContact CG-CD2 4.02Å; L296-F386 HydrophobicContact CG-CG 4.37Å; M304-F386 HydrophobicContact CB-CZ 3.98Å; M304-F386 HydrophobicContact CG-CZ 4.05Å; M304-F386 HydrophobicContact SD-CE1 3.78Å; M304-F386 HydrophobicContact SD-CZ 3.88Å; L358-F386 HydrophobicContact CD1-CE1 4.33Å; L358-F386 HydrophobicContact CD2-CE1 4.45Å; Y365-F386 HydrophobicContact CD2-CD1 4.1Å; Y365-F386 HydrophobicContact CD2-CE1 4.29Å; Y365-F386 HydrophobicContact CE2-CD1 4.06Å; Y365-F386 HydrophobicContact CE2-CE1 4.23Å; Y365-F386 HydrophobicContact CE2-CG 4.47Å; I383-F386 HydrophobicContact CG2-CZ 4.41Å; F386-L388 PolarHBondContact O-N 2.96Å; F386-C389 WeakPolarHBondContact O-CB 3.23Å; F386-C389 PolarHBondContact O-N 3.39Å; F386-C389 VanDerWaalsContact O-N 3.12Å
387	G	80.7	Confident	86.3	Confident	12 Å²	12	33.1 Å²	33.1	12%	0.124	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-32.5	-177.2	0	0	0	0	0	114.3	D385	D385-G387 VanDerWaalsContact C-N 3.28Å; D385-G387 PolarHBondContact O-N 3.12Å
388	L	81.5	Confident	85.6	Confident	25 Å²	25	32.1 Å²	32.1	13%	0.131	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	7.5	-178.4	-63.2	-176.3	0	0	0	113.8	Y365 R366 D367 F386 C403	Y365-L388 CarbonylContact O-C 3.58Å; R366-L388 PolarHBondContact NE-O 3.4Å; R366-L388 PolarHBondContact NH2-O 2.91Å; D367-L388 HydrophobicContact CB-CB 4.09Å; D367-L388 HydrophobicContact CB-CD1 3.77Å; D367-L388 HydrophobicContact CB-CG 4.38Å; F386-L388 PolarHBondContact O-N 2.96Å; L388-C403 HydrophobicContact CD1-CB 4.42Å; L388-C403 HydrophobicContact CD2-CB 4.1Å
389	C	85.8	Confident	84.8	Confident	2 Å²	2	31.9 Å²	31.9	1%	0.014	18%	0.184	C	C	.	.			trans	-61.2	153.6	177.5	-76	0	0	0	0	112.9	V295 V363 V364 F386	V295-C389 HydrophobicContact CG2-CB 4.05Å; V363-C389 HydrophobicContact CG1-CB 3.9Å; V364-C389 CarbonylContact O-C 3.56Å; V364-C389 VanDerWaalsContact O-CA 3.3Å; V364-C389 WeakPolarHBondContact O-CA 3.48Å; F386-C389 WeakPolarHBondContact O-CB 3.23Å; F386-C389 PolarHBondContact O-N 3.39Å; F386-C389 VanDerWaalsContact O-N 3.12Å
390	K	81.6	Confident	83.8	Confident	73 Å²	73	37.7 Å²	37.7	32%	0.317	21%	0.209	S	C	.	.	B	Isolated β-bridge	trans	-129.8	116.2	174.8	-171.1	67	177	-176.4	0	111	V363 V364 M393 T399	V363-K390 CarbonylContact C-O 3.55Å; V363-K390 VanDerWaalsContact CA-O 3.26Å; V363-K390 WeakPolarHBondContact CA-O 3.35Å; V364-K390 PolarHBondContact N-O 3.16Å; V364-K390 PolarHBondContact O-N 3.2Å; K390-M393 HydrophobicContact CB-CG 3.92Å; K390-M393 HydrophobicContact CG-CG 3.61Å; K390-M393 HydrophobicContact CG-SD 3.73Å; K390-M393 VanDerWaalsContact O-CG 3.3Å; K390-M393 WeakPolarHBondContact O-CG 3.33Å; K390-T399 HydrophobicContact CG-CG2 4.41Å
391	E	83	Confident	82.8	Confident	39 Å²	39	39.9 Å²	39.9	18%	0.182	22%	0.223	C	C	.	.	S	Bend	trans	-76.8	171.3	172.6	-64.1	171.5	110.2	0	0	112	T291 R294 V295 N362 V363 M393	T291-E391 HydrophobicContact CG2-CG 4.12Å; R294-E391 IonicContact CZ-OE2 3.51Å; R294-E391 IonicContact NE-OE1 2.77Å; R294-E391 IonicContact NE-OE2 2.88Å; R294-E391 PolarHBondContact NE-OE2 3.13Å; R294-E391 IonicContact NH2-OE2 3.26Å; R294-E391 PolarHBondContact NH2-OE2 3.14Å; V295-E391 HydrophobicContact CG2-CG 3.89Å; N362-E391 CarbonylContact O-C 3.58Å; V363-E391 HydrophobicContact CG2-CG 4.22Å; E391-M393 PolarHBondContact O-N 3.08Å
392	D	78.8	Confident	81.7	Confident	107 Å²	107	43.6 Å²	43.6	57%	0.572	24%	0.239	S	C	*	.	S	Bend	trans	60.1	23.8	-179.3	-61.6	-40.6	0	0	0	114.7	N362 Y394	N362-D392 PolarHBondContact O-N 3.36Å; D392-Y394 PolarHBondContact O-N 3.21Å
393	M	78.6	Confident	81	Confident	5 Å²	5	43.2 Å²	43.2	3%	0.025	24%	0.239	C	C	.	.			trans	-93	69.9	179.9	-64.7	-61.3	-65	0	0	110.7	N362 V364 K390 E391 T399 R421	N362-M393 PolarHBondContact O-N 3.05Å; V364-M393 HydrophobicContact CB-CB 4.34Å; V364-M393 HydrophobicContact CB-CG 4.23Å; V364-M393 HydrophobicContact CG2-CB 3.44Å; V364-M393 VanDerWaalsContact CG2-CB 3.44Å; V364-M393 HydrophobicContact CG2-CE 4.17Å; V364-M393 HydrophobicContact CG2-CG 3.77Å; K390-M393 HydrophobicContact CB-CG 3.92Å; K390-M393 HydrophobicContact CG-CG 3.61Å; K390-M393 HydrophobicContact CG-SD 3.73Å; K390-M393 VanDerWaalsContact O-CG 3.3Å; K390-M393 WeakPolarHBondContact O-CG 3.33Å; E391-M393 PolarHBondContact O-N 3.08Å; M393-T399 HydrophobicContact CE-CG2 4.15Å; M393-T399 HydrophobicContact SD-CG2 4.37Å; M393-R421 PolarHBondContact O-NE 2.95Å; M393-R421 PolarHBondContact O-NH2 2.8Å; M393-R421 VanDerWaalsContact O-NH2 3.14Å
394	Y	81.1	Confident	80.2	Confident	57 Å²	57	43.5 Å²	43.5	22%	0.224	24%	0.242	C	C	.	.			trans	-72.8	167.2	170.6	55.3	-95.6	0	0	0	112	Q148 L150 N362 D392 G396 A397	Q148-Y394 HydrophobicContact CB-CD2 4.45Å; Q148-Y394 HydrophobicContact CB-CE2 4.01Å; Q148-Y394 VanDerWaalsContact CD-CD2 3.48Å; Q148-Y394 HydrophobicContact CG-CD2 4.45Å; Q148-Y394 HydrophobicContact CG-CE2 4.45Å; L150-Y394 WeakPolarHBondContact CD2-OH 3.45Å; N362-Y394 WeakPolarHBondContact OD1-CA 3.48Å; N362-Y394 WeakPolarHBondContact OD1-CB 3.14Å; D392-Y394 PolarHBondContact O-N 3.21Å; Y394-G396 PolarHBondContact O-N 2.83Å; Y394-G396 VanDerWaalsContact O-N 3.15Å; Y394-A397 HydrophobicContact CD1-CB 4.03Å; Y394-A397 HydrophobicContact CD2-CB 3.87Å; Y394-A397 HydrophobicContact CE1-CB 4.03Å; Y394-A397 HydrophobicContact CE2-CB 3.86Å; Y394-A397 HydrophobicContact CG-CB 3.97Å; Y394-A397 WeakPolarHBondContact O-CB 3.24Å; Y394-A397 PolarHBondContact O-N 2.79Å
395	Y	78.4	Confident	79.9	Confident	94 Å²	94	42.9 Å²	42.9	37%	0.369	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	121.7	176.2	177.5	-100.7	0	0	0	111	Q148 R421 G488 I489	Q148-Y395 PolarHBondContact OE1-O 3.12Å; Y395-R421 VanDerWaalsContact N-CZ 3.33Å; Y395-G488 VanDerWaalsContact CE2-C 3.41Å; Y395-G488 WeakPolarHBondContact CE2-O 3.02Å; Y395-I489 HydrophobicContact CD1-CB 4.26Å; Y395-I489 HydrophobicContact CD1-CD1 4.19Å; Y395-I489 HydrophobicContact CD1-CG1 3.89Å; Y395-I489 HydrophobicContact CE1-CB 3.9Å; Y395-I489 HydrophobicContact CE1-CD1 4.18Å; Y395-I489 HydrophobicContact CE1-CG1 3.98Å; Y395-I489 HydrophobicContact CE2-CB 4.22Å; Y395-I489 HydrophobicContact CG-CG1 4.24Å
396	G	72.2	Confident	80	Confident	71 Å²	71	40.2 Å²	40.2	73%	0.732	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.7	-9.2	-174	0	0	0	0	0	114.9	Y394	Y394-G396 PolarHBondContact O-N 2.83Å; Y394-G396 VanDerWaalsContact O-N 3.15Å
397	A	73.7	Confident	80.4	Confident	15 Å²	15	41.2 Å²	41.2	12%	0.124	23%	0.226	C	C	.	.			trans	-72.3	144.4	167	0	0	0	0	0	110.2	Y394	Y394-A397 HydrophobicContact CD1-CB 4.03Å; Y394-A397 HydrophobicContact CD2-CB 3.87Å; Y394-A397 HydrophobicContact CE1-CB 4.03Å; Y394-A397 HydrophobicContact CE2-CB 3.86Å; Y394-A397 HydrophobicContact CG-CB 3.97Å; Y394-A397 WeakPolarHBondContact O-CB 3.24Å; Y394-A397 PolarHBondContact O-N 2.79Å
398	S	78.7	Confident	81.1	Confident	63 Å²	63	41.5 Å²	41.5	44%	0.441	22%	0.224	S	C	.	.			trans	-129.3	158.2	179.4	71.2	0	0	0	0	112.7	D418 Y419	S398-D418 VanDerWaalsContact OG-CG 3.25Å; S398-D418 PolarHBondContact OG-OD1 3.48Å; S398-Y419 CarbonylContact C-O 3.47Å; S398-Y419 VanDerWaalsContact CA-O 3.24Å; S398-Y419 WeakPolarHBondContact CA-O 3.26Å
399	T	78.3	Confident	81.6	Confident	13 Å²	13	40.6 Å²	40.6	8%	0.08	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-135.3	165.1	169.6	-161.2	0	0	0	0	111.1	K390 M393 Y419	K390-T399 HydrophobicContact CG-CG2 4.41Å; M393-T399 HydrophobicContact CE-CG2 4.15Å; M393-T399 HydrophobicContact SD-CG2 4.37Å; T399-Y419 HydrophobicContact CG2-CD2 3.88Å; T399-Y419 HydrophobicContact CG2-CE1 4Å; T399-Y419 HydrophobicContact CG2-CE2 3.25Å; T399-Y419 HydrophobicContact CG2-CG 4.47Å; T399-Y419 WeakPolarHBondContact CG2-OH 3.19Å; T399-Y419 PolarHBondContact N-O 3.33Å; T399-Y419 WeakPolarHBondContact O-CD1 3.47Å; T399-Y419 PolarHBondContact O-N 2.93Å
400	K	75.8	Confident	81.9	Confident	121 Å²	121	40.7 Å²	40.7	53%	0.526	22%	0.22	S	C	.	.			trans	-126.4	5.7	-175	-59.2	-167.4	175.7	-151.8	0	113.6	F402 D418	K400-F402 PolarHBondContact O-N 3.23Å; K400-D418 WeakPolarHBondContact CE-OD1 3.35Å; K400-D418 WeakPolarHBondContact CE-OD2 3.42Å; K400-D418 WeakPolarHBondContact CG-OD1 3.5Å; K400-D418 IonicContact NZ-OD2 3.09Å; K400-D418 PolarHBondContact NZ-OD2 3.34Å
401	T	76.4	Confident	82.4	Confident	51 Å²	51	37.4 Å²	37.4	31%	0.313	21%	0.206	S	C	.	.			trans	-73.8	114.5	-175.7	-58.1	0	0	0	0	108.8	C403 Y419	T401-C403 HydrophobicContact CG2-CB 4.42Å; T401-C403 PolarHBondContact O-N 3.17Å; T401-Y419 WeakPolarHBondContact O-CE1 3.35Å; T401-Y419 PolarHBondContact O-OH 3.17Å
402	F	76.6	Confident	82.7	Confident	78 Å²	78	35.9 Å²	35.9	34%	0.342	20%	0.199	S	C	.	.			trans	-69.6	111.1	171.1	-172.1	-86.2	0	0	0	109.6	K400 L409 V413 L414	K400-F402 PolarHBondContact O-N 3.23Å; F402-L409 HydrophobicContact CE1-CD1 4.19Å; F402-L409 HydrophobicContact CE2-CD1 4.04Å; F402-L409 HydrophobicContact CZ-CD1 3.55Å; F402-V413 HydrophobicContact CD2-CG1 4.15Å; F402-V413 WeakPolarHBondContact CD2-O 3.45Å; F402-V413 HydrophobicContact CE2-CG1 4.48Å; F402-L414 HydrophobicContact CE2-CD2 4.11Å; F402-L414 HydrophobicContact CZ-CD2 4.3Å
403	C	81.5	Confident	83.1	Confident	9 Å²	9	31.1 Å²	31.1	6%	0.061	17%	0.174	C	C	.	.			trans	-158.2	156	177.8	61.8	0	0	0	0	110.6	R366 L388 T401 L409	R366-C403 PolarHBondContact NH1-SG 3.21Å; R366-C403 VanDerWaalsContact NH1-SG 3.36Å; L388-C403 HydrophobicContact CD1-CB 4.42Å; L388-C403 HydrophobicContact CD2-CB 4.1Å; T401-C403 HydrophobicContact CG2-CB 4.42Å; T401-C403 PolarHBondContact O-N 3.17Å; C403-L409 VanDerWaalsContact O-CD2 3.26Å; C403-L409 WeakPolarHBondContact O-CD2 3.06Å
404	G	80.6	Confident	83.4	Confident	6 Å²	6	32.2 Å²	32.2	6%	0.062	18%	0.179	C	C	.	.	S	Bend	trans	124.7	-179.8	179.9	0	0	0	0	0	111.4
405	T	84.4	Confident	83.1	Confident	3 Å²	3	34 Å²	34	2%	0.018	19%	0.193	C	C	.	.			trans	-91.1	122.4	-179.3	-54.5	0	0	0	0	109.2	Y7 D367 K369 E407 Y408 L409	Y7-T405 HydrophobicContact CE2-CG2 3.61Å; Y7-T405 WeakPolarHBondContact OH-CG2 3.35Å; D367-T405 PolarHBondContact OD1-OG1 3.09Å; D367-T405 VanDerWaalsContact OD1-OG1 3.09Å; K369-T405 HydrophobicContact CD-CG2 4.35Å; K369-T405 VanDerWaalsContact CD-OG1 3.23Å; K369-T405 WeakPolarHBondContact CD-OG1 3.49Å; K369-T405 PolarHBondContact NZ-OG1 3.22Å; T405-E407 VanDerWaalsContact C-N 3.29Å; T405-E407 WeakPolarHBondContact CG2-OE2 3.43Å; T405-E407 PolarHBondContact O-N 3.02Å; T405-E407 VanDerWaalsContact O-N 3.08Å; T405-Y408 HydrophobicContact CG2-CD2 3.91Å; T405-Y408 HydrophobicContact CG2-CE2 4.38Å; T405-Y408 WeakPolarHBondContact O-CA 3.37Å; T405-Y408 PolarHBondContact O-N 2.85Å; T405-L409 PolarHBondContact O-N 3.48Å
406	P	88.7	Confident	82.8	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-43.2	-45.9	-170.7	-35	36.4	0	0	0	116.1	Y408 L409 L450 F451 I454	P406-Y408 PolarHBondContact O-N 2.82Å; P406-L409 PolarHBondContact O-N 3.29Å; P406-L450 HydrophobicContact CB-CD2 4.1Å; P406-F451 HydrophobicContact CB-CE1 4.07Å; P406-I454 WeakPolarHBondContact O-CD1 3.2Å
407	E	92.5	Very high	82.6	Confident	21 Å²	21	35.4 Å²	35.4	10%	0.098	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-68	-19.8	-177.6	-60.2	83.3	176.6	0	0	113.8	Y7 T405 L440 L450	Y7-E407 WeakPolarHBondContact CE2-OE2 3.41Å; Y7-E407 PolarHBondContact OH-OE1 2.89Å; Y7-E407 PolarHBondContact OH-OE2 3.04Å; T405-E407 VanDerWaalsContact C-N 3.29Å; T405-E407 WeakPolarHBondContact CG2-OE2 3.43Å; T405-E407 PolarHBondContact O-N 3.02Å; T405-E407 VanDerWaalsContact O-N 3.08Å; E407-L440 HydrophobicContact CB-CD1 3.79Å; E407-L440 HydrophobicContact CB-CD2 4.34Å; E407-L440 HydrophobicContact CG-CD1 3.84Å; E407-L450 HydrophobicContact CG-CD2 3.99Å
408	Y	95.2	Very high	82.6	Confident	18 Å²	18	38.6 Å²	38.6	7%	0.071	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-106.1	-5.5	-178.4	-65.2	-96.9	0	0	0	112.7	L368 K369 L370 T405 P406 A410 W426 V430 V431 E434 L440	L368-Y408 VanDerWaalsContact O-CD1 3.26Å; L368-Y408 WeakPolarHBondContact O-CD1 3.3Å; K369-Y408 HydrophobicContact CB-CD1 3.88Å; K369-Y408 HydrophobicContact CB-CD2 3.91Å; K369-Y408 HydrophobicContact CB-CE1 3.68Å; K369-Y408 HydrophobicContact CB-CE2 3.69Å; K369-Y408 HydrophobicContact CB-CG 3.98Å; L370-Y408 PolarHBondContact N-OH 2.96Å; T405-Y408 HydrophobicContact CG2-CD2 3.91Å; T405-Y408 HydrophobicContact CG2-CE2 4.38Å; T405-Y408 WeakPolarHBondContact O-CA 3.37Å; T405-Y408 PolarHBondContact O-N 2.85Å; P406-Y408 PolarHBondContact O-N 2.82Å; Y408-A410 PolarHBondContact O-N 3.02Å; Y408-W426 PolarHBondContact O-NE1 3.36Å; Y408-V430 HydrophobicContact CD1-CB 3.95Å; Y408-V430 HydrophobicContact CD1-CG1 3.39Å; Y408-V430 HydrophobicContact CE1-CB 4.43Å; Y408-V430 HydrophobicContact CE1-CG1 3.63Å; Y408-V430 HydrophobicContact CG-CG1 4.14Å; Y408-V431 HydrophobicContact CD1-CG2 4.42Å; Y408-V431 HydrophobicContact CE1-CG2 3.97Å; Y408-E434 PolarHBondContact OH-OE2 2.98Å; Y408-L440 HydrophobicContact CE1-CD2 4.45Å; Y408-L440 HydrophobicContact CE2-CD2 4.32Å
409	L	91.7	Very high	82.7	Confident	7 Å²	7	36 Å²	36	4%	0.037	19%	0.185	C	C	.	.			trans	-64.6	134.6	-177.8	-70.7	179.7	0	0	0	111.3	F402 C403 T405 P406 V413 L414 W426	F402-L409 HydrophobicContact CE1-CD1 4.19Å; F402-L409 HydrophobicContact CE2-CD1 4.04Å; F402-L409 HydrophobicContact CZ-CD1 3.55Å; C403-L409 VanDerWaalsContact O-CD2 3.26Å; C403-L409 WeakPolarHBondContact O-CD2 3.06Å; T405-L409 PolarHBondContact O-N 3.48Å; P406-L409 PolarHBondContact O-N 3.29Å; L409-V413 HydrophobicContact CD2-CG1 4.04Å; L409-L414 HydrophobicContact CB-CD2 3.93Å; L409-L414 HydrophobicContact CB-CG 4.16Å; L409-L414 HydrophobicContact CD1-CD2 3.6Å; L409-L414 HydrophobicContact CG-CD2 4.42Å; L409-W426 PolarHBondContact O-NE1 2.7Å; L409-W426 VanDerWaalsContact O-NE1 3.16Å
410	A	93.1	Very high	83.1	Confident	3 Å²	3	36 Å²	36	3%	0.025	19%	0.188	C	C	.	.			trans	-73	148.9	173.4	0	0	0	0	0	110.9	Y408 E412 V413 L414 V423 W426	Y408-A410 PolarHBondContact O-N 3.02Å; A410-E412 HydrophobicContact CB-CG 4.46Å; A410-E412 WeakPolarHBondContact CB-OE2 3.34Å; A410-E412 PolarHBondContact O-N 2.91Å; A410-E412 VanDerWaalsContact O-N 3.17Å; A410-V413 HydrophobicContact CB-CG2 4.26Å; A410-V413 WeakPolarHBondContact O-CB 3.47Å; A410-V413 PolarHBondContact O-N 3.22Å; A410-L414 PolarHBondContact O-N 2.84Å; A410-V423 HydrophobicContact CB-CB 4.25Å; A410-V423 HydrophobicContact CB-CG1 4.08Å; A410-W426 HydrophobicContact CB-CB 3.84Å; A410-W426 HydrophobicContact CB-CD2 4.2Å; A410-W426 HydrophobicContact CB-CG 3.66Å
411	P	91.2	Very high	83.9	Confident	4 Å²	4	30.9 Å²	30.9	3%	0.026	17%	0.165	C	C	.	.	H	α-helix	trans	-52	-39.8	-179.7	-31.3	38.6	0	0	0	113.9	V413 L414 L415 W426 I454 L455 K479	P411-V413 VanDerWaalsContact C-N 3.28Å; P411-V413 PolarHBondContact O-N 3.26Å; P411-L414 PolarHBondContact O-N 3Å; P411-L415 WeakPolarHBondContact O-CG 3.2Å; P411-L415 PolarHBondContact O-N 3.37Å; P411-L415 VanDerWaalsContact O-N 3.07Å; P411-W426 HydrophobicContact CG-CE3 4.29Å; P411-W426 HydrophobicContact CG-CH2 3.62Å; P411-W426 HydrophobicContact CG-CZ2 4.08Å; P411-W426 HydrophobicContact CG-CZ3 3.73Å; P411-I454 HydrophobicContact CG-CG2 3.95Å; P411-L455 HydrophobicContact CB-CD2 3.97Å; P411-K479 HydrophobicContact CB-CB 4.38Å; P411-K479 HydrophobicContact CG-CB 4.07Å; P411-K479 HydrophobicContact CG-CG 4.21Å
412	E	89.1	Confident	84.7	Confident	7 Å²	7	29 Å²	29	3%	0.033	16%	0.155	C	C	.	.	H	α-helix	trans	-67.2	-25.1	179.3	65.1	-90.4	-148.2	0	0	114	A410 N417 S422 V423 P481 R484	A410-E412 HydrophobicContact CB-CG 4.46Å; A410-E412 WeakPolarHBondContact CB-OE2 3.34Å; A410-E412 PolarHBondContact O-N 2.91Å; A410-E412 VanDerWaalsContact O-N 3.17Å; E412-N417 PolarHBondContact O-N 2.85Å; E412-S422 PolarHBondContact OE1-OG 3.45Å; E412-V423 HydrophobicContact CG-CG1 4.1Å; E412-V423 WeakPolarHBondContact OE1-CG1 3.38Å; E412-P481 HydrophobicContact CB-CG 4.37Å; E412-P481 HydrophobicContact CG-CG 4.42Å; E412-R484 IonicContact OE1-CZ 3.57Å; E412-R484 IonicContact OE1-NH1 2.67Å; E412-R484 PolarHBondContact OE1-NH1 3.25Å; E412-R484 IonicContact OE1-NH2 3.14Å; E412-R484 IonicContact OE2-CZ 3.9Å; E412-R484 IonicContact OE2-NH1 2.97Å; E412-R484 PolarHBondContact OE2-NH1 3.22Å; E412-R484 IonicContact OE2-NH2 2.75Å; E412-R484 PolarHBondContact OE2-NH2 3.44Å
413	V	86.6	Confident	85.6	Confident	7 Å²	7	25.9 Å²	25.9	4%	0.042	14%	0.142	C	C	.	.	H	α-helix	trans	-75.8	-39.7	174	-174.4	0	0	0	0	110	F402 L409 A410 P411 L415 D416 Y419 V423	F402-V413 HydrophobicContact CD2-CG1 4.15Å; F402-V413 WeakPolarHBondContact CD2-O 3.45Å; F402-V413 HydrophobicContact CE2-CG1 4.48Å; L409-V413 HydrophobicContact CD2-CG1 4.04Å; A410-V413 HydrophobicContact CB-CG2 4.26Å; A410-V413 WeakPolarHBondContact O-CB 3.47Å; A410-V413 PolarHBondContact O-N 3.22Å; P411-V413 VanDerWaalsContact C-N 3.28Å; P411-V413 PolarHBondContact O-N 3.26Å; V413-L415 VanDerWaalsContact C-N 3.33Å; V413-L415 PolarHBondContact O-N 2.89Å; V413-D416 PolarHBondContact O-N 3.41Å; V413-Y419 HydrophobicContact CB-CD1 4.44Å; V413-Y419 HydrophobicContact CG1-CE1 4.13Å; V413-Y419 HydrophobicContact CG2-CD1 3.87Å; V413-Y419 HydrophobicContact CG2-CD2 4.25Å; V413-Y419 HydrophobicContact CG2-CE1 4.05Å; V413-Y419 HydrophobicContact CG2-CE2 4.42Å; V413-Y419 HydrophobicContact CG2-CG 3.97Å; V413-V423 HydrophobicContact CG2-CG1 3.8Å
414	L	84.9	Confident	86.3	Confident	28 Å²	28	25.6 Å²	25.6	15%	0.147	14%	0.14	C	C	.	.	H	α-helix	trans	-66.3	-33.9	177.7	-65.3	-179.2	0	0	0	113.1	F402 L409 A410 P411 D416 F451 I454 L455	F402-L414 HydrophobicContact CE2-CD2 4.11Å; F402-L414 HydrophobicContact CZ-CD2 4.3Å; L409-L414 HydrophobicContact CB-CD2 3.93Å; L409-L414 HydrophobicContact CB-CG 4.16Å; L409-L414 HydrophobicContact CD1-CD2 3.6Å; L409-L414 HydrophobicContact CG-CD2 4.42Å; A410-L414 PolarHBondContact O-N 2.84Å; P411-L414 PolarHBondContact O-N 3Å; L414-D416 PolarHBondContact O-N 3.31Å; L414-F451 HydrophobicContact CD1-CB 4.17Å; L414-F451 HydrophobicContact CD1-CD1 3.9Å; L414-F451 HydrophobicContact CD1-CG 4.26Å; L414-F451 HydrophobicContact CD2-CD1 3.52Å; L414-F451 HydrophobicContact CD2-CE1 3.61Å; L414-F451 HydrophobicContact CD2-CG 4.01Å; L414-F451 HydrophobicContact CD2-CZ 4.18Å; L414-F451 HydrophobicContact CG-CD1 4.37Å; L414-I454 HydrophobicContact CD1-CB 3.73Å; L414-I454 HydrophobicContact CD1-CD1 4.01Å; L414-I454 HydrophobicContact CD1-CG1 4.49Å; L414-I454 HydrophobicContact CD1-CG2 3.49Å; L414-I454 VanDerWaalsContact CD1-CG2 3.49Å; L414-L455 HydrophobicContact CB-CD2 4.14Å; L414-L455 HydrophobicContact CD1-CD2 4.45Å; L414-L455 HydrophobicContact CD1-CG 4.34Å
415	L	76.3	Confident	87.2	Confident	96 Å²	96	25.3 Å²	25.3	50%	0.503	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	2.2	177.3	-66.9	172.7	0	0	0	113.6	P411 V413 N417 L455	P411-L415 WeakPolarHBondContact O-CG 3.2Å; P411-L415 PolarHBondContact O-N 3.37Å; P411-L415 VanDerWaalsContact O-N 3.07Å; V413-L415 VanDerWaalsContact C-N 3.33Å; V413-L415 PolarHBondContact O-N 2.89Å; L415-N417 WeakPolarHBondContact CB-ND2 3.3Å; L415-N417 PolarHBondContact O-N 2.89Å; L415-N417 VanDerWaalsContact O-N 3.13Å; L415-L455 HydrophobicContact CD1-CD2 4.05Å; L415-L455 HydrophobicContact CD2-CD1 3.99Å; L415-L455 HydrophobicContact CD2-CD2 3.82Å; L415-L455 HydrophobicContact CG-CD2 3.63Å
416	D	70.8	Confident	87.9	Confident	107 Å²	107	25.2 Å²	25.2	57%	0.572	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	30.8	-173.8	-158.9	26.5	0	0	0	112.5	V413 L414	V413-D416 PolarHBondContact O-N 3.41Å; L414-D416 PolarHBondContact O-N 3.31Å
417	N	68.3	Low	88.3	Confident	86 Å²	86	25.4 Å²	25.4	46%	0.46	14%	0.138	S	C	.	.			trans	-81.7	158.2	175.6	-77	-31.6	0	0	0	110.1	E412 L415 Y419	E412-N417 PolarHBondContact O-N 2.85Å; L415-N417 WeakPolarHBondContact CB-ND2 3.3Å; L415-N417 PolarHBondContact O-N 2.89Å; L415-N417 VanDerWaalsContact O-N 3.13Å; N417-Y419 PolarHBondContact O-N 2.68Å
418	D	73.4	Confident	88.6	Confident	82 Å²	82	24.4 Å²	24.4	44%	0.439	13%	0.133	S	C	.	.			trans	-58.3	122.9	164.9	-87.7	-56.4	0	0	0	109.3	S398 K400	S398-D418 VanDerWaalsContact OG-CG 3.25Å; S398-D418 PolarHBondContact OG-OD1 3.48Å; K400-D418 WeakPolarHBondContact CE-OD1 3.35Å; K400-D418 WeakPolarHBondContact CE-OD2 3.42Å; K400-D418 WeakPolarHBondContact CG-OD1 3.5Å; K400-D418 IonicContact NZ-OD2 3.09Å; K400-D418 PolarHBondContact NZ-OD2 3.34Å
419	Y	81.2	Confident	88.8	Confident	8 Å²	8	23.5 Å²	23.5	3%	0.031	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-125.7	155.7	-179.8	66.9	-99.4	0	0	0	112	R366 S398 T399 T401 V413 N417 V423	R366-Y419 WeakPolarHBondContact CD-OH 3.36Å; R366-Y419 HydrophobicContact CG-CE2 4.42Å; R366-Y419 PolarHBondContact NH1-OH 2.95Å; S398-Y419 CarbonylContact C-O 3.47Å; S398-Y419 VanDerWaalsContact CA-O 3.24Å; S398-Y419 WeakPolarHBondContact CA-O 3.26Å; T399-Y419 HydrophobicContact CG2-CD2 3.88Å; T399-Y419 HydrophobicContact CG2-CE1 4Å; T399-Y419 HydrophobicContact CG2-CE2 3.25Å; T399-Y419 HydrophobicContact CG2-CG 4.47Å; T399-Y419 WeakPolarHBondContact CG2-OH 3.19Å; T399-Y419 PolarHBondContact N-O 3.33Å; T399-Y419 WeakPolarHBondContact O-CD1 3.47Å; T399-Y419 PolarHBondContact O-N 2.93Å; T401-Y419 WeakPolarHBondContact O-CE1 3.35Å; T401-Y419 PolarHBondContact O-OH 3.17Å; V413-Y419 HydrophobicContact CB-CD1 4.44Å; V413-Y419 HydrophobicContact CG1-CE1 4.13Å; V413-Y419 HydrophobicContact CG2-CD1 3.87Å; V413-Y419 HydrophobicContact CG2-CD2 4.25Å; V413-Y419 HydrophobicContact CG2-CE1 4.05Å; V413-Y419 HydrophobicContact CG2-CE2 4.42Å; V413-Y419 HydrophobicContact CG2-CG 3.97Å; N417-Y419 PolarHBondContact O-N 2.68Å; Y419-V423 HydrophobicContact CD2-CG1 3.56Å; Y419-V423 HydrophobicContact CD2-CG2 4.27Å; Y419-V423 HydrophobicContact CE2-CG1 4.35Å; Y419-V423 HydrophobicContact CE2-CG2 4.48Å; Y419-V423 HydrophobicContact CG-CG1 3.99Å
420	G	86.8	Confident	89.1	Confident	14 Å²	14	23.2 Å²	23.2	14%	0.144	13%	0.128	C	C	.	.			trans	-125.7	-150.9	-175.4	0	0	0	0	0	112.6	S422 V423	G420-S422 PolarHBondContact O-N 3.22Å; G420-V423 VanDerWaalsContact O-CG2 3.31Å; G420-V423 WeakPolarHBondContact O-CG2 3.48Å
421	R	91.9	Very high	89.4	Confident	13 Å²	13	23.1 Å²	23.1	5%	0.049	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-22.1	-179.2	-60.8	175	-178.3	-174.9	-11.3	114.8	C95 H359 N362 V364 M393 Y395 V423 D424 D491	C95-R421 PolarHBondContact SG-NH1 2.7Å; H359-R421 PolarHBondContact CE1-O 3.3Å; H359-R421 PolarHBondContact O-NH2 2.97Å; N362-R421 PolarHBondContact OD1-NH2 3.11Å; N362-R421 VanDerWaalsContact OD1-NH2 3.09Å; V364-R421 HydrophobicContact CG2-CB 4.13Å; V364-R421 HydrophobicContact CG2-CG 3.57Å; M393-R421 PolarHBondContact O-NE 2.95Å; M393-R421 PolarHBondContact O-NH2 2.8Å; M393-R421 VanDerWaalsContact O-NH2 3.14Å; Y395-R421 VanDerWaalsContact N-CZ 3.33Å; R421-V423 PolarHBondContact O-N 3.2Å; R421-D424 PolarHBondContact O-N 3.4Å; R421-D424 VanDerWaalsContact O-N 3.14Å; R421-D491 WeakPolarHBondContact CD-OD2 3.45Å; R421-D491 IonicContact CZ-OD2 3.28Å; R421-D491 IonicContact NE-OD2 2.7Å; R421-D491 IonicContact NH1-OD2 3.39Å; R421-D491 PolarHBondContact NH1-OD2 3.36Å
422	S	94.5	Very high	89.7	Confident	13 Å²	13	22.9 Å²	22.9	9%	0.091	13%	0.126	C	C	.	.	H	α-helix	trans	-57.6	-20.9	179.1	56.7	0	0	0	0	114.3	E412 G420 D424 W425 W426 P481 R484	E412-S422 PolarHBondContact OE1-OG 3.45Å; G420-S422 PolarHBondContact O-N 3.22Å; S422-D424 VanDerWaalsContact C-N 3.33Å; S422-W425 PolarHBondContact O-N 3.19Å; S422-W426 PolarHBondContact O-N 2.82Å; S422-P481 VanDerWaalsContact OG-CB 3.23Å; S422-P481 WeakPolarHBondContact OG-CB 3.32Å; S422-R484 PolarHBondContact O-NH1 3.42Å
423	V	94.6	Very high	90.2	Very high	12 Å²	12	22.6 Å²	22.6	7%	0.073	12%	0.124	C	C	.	.	H	α-helix	trans	-67.3	-33.5	178.4	-58	0	0	0	0	112.2	V364 R366 A410 E412 V413 Y419 G420 R421 W425 W426 G427	V364-V423 HydrophobicContact CG1-CG2 3.62Å; R366-V423 HydrophobicContact CG-CG2 4.15Å; A410-V423 HydrophobicContact CB-CB 4.25Å; A410-V423 HydrophobicContact CB-CG1 4.08Å; E412-V423 HydrophobicContact CG-CG1 4.1Å; E412-V423 WeakPolarHBondContact OE1-CG1 3.38Å; V413-V423 HydrophobicContact CG2-CG1 3.8Å; Y419-V423 HydrophobicContact CD2-CG1 3.56Å; Y419-V423 HydrophobicContact CD2-CG2 4.27Å; Y419-V423 HydrophobicContact CE2-CG1 4.35Å; Y419-V423 HydrophobicContact CE2-CG2 4.48Å; Y419-V423 HydrophobicContact CG-CG1 3.99Å; G420-V423 VanDerWaalsContact O-CG2 3.31Å; G420-V423 WeakPolarHBondContact O-CG2 3.48Å; R421-V423 PolarHBondContact O-N 3.2Å; V423-W425 VanDerWaalsContact C-N 3.31Å; V423-W425 PolarHBondContact O-N 3.27Å; V423-W426 WeakPolarHBondContact O-CB 3.42Å; V423-W426 PolarHBondContact O-N 2.54Å; V423-G427 PolarHBondContact O-N 3.28Å
424	D	97.2	Very high	90.7	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.011	13%	0.127	C	C	.	.	H	α-helix	trans	-70.4	-32.9	178.6	-73.1	-10.7	0	0	0	110.8	L355 H359 V364 Y365 R366 R421 S422 G427 L428	L355-D424 HydrophobicContact CD1-CB 4Å; L355-D424 HydrophobicContact CD2-CB 3.96Å; L355-D424 HydrophobicContact CG-CB 4.49Å; H359-D424 IonicContact CD2-OD2 2.88Å; H359-D424 IonicContact NE2-OD2 2.64Å; H359-D424 PolarHBondContact NE2-OD2 3.39Å; V364-D424 WeakPolarHBondContact CG1-OD2 3.42Å; Y365-D424 WeakPolarHBondContact CB-OD2 3.48Å; Y365-D424 PolarHBondContact N-OD1 2.69Å; Y365-D424 PolarHBondContact N-OD2 3.17Å; R366-D424 PolarHBondContact N-OD1 2.88Å; R421-D424 PolarHBondContact O-N 3.4Å; R421-D424 VanDerWaalsContact O-N 3.14Å; S422-D424 VanDerWaalsContact C-N 3.33Å; D424-G427 PolarHBondContact O-N 2.88Å; D424-L428 PolarHBondContact O-N 3.19Å
425	W	98.6	Very high	91.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-70.9	-34.3	174	-57.6	129.9	0	0	0	113	T352 L355 H359 S422 V423 L428 G429 L476 G486 D491 V492 V495	T352-W425 HydrophobicContact CG2-CH2 4.23Å; T352-W425 HydrophobicContact CG2-CZ3 4.11Å; L355-W425 HydrophobicContact CB-CH2 3.92Å; L355-W425 HydrophobicContact CB-CZ3 4.09Å; L355-W425 HydrophobicContact CD1-CE3 4.05Å; L355-W425 HydrophobicContact CD1-CH2 4.46Å; L355-W425 HydrophobicContact CD1-CZ3 3.83Å; H359-W425 AromaticContact CE1-CE2 3.74Å; H359-W425 AromaticContact CE1-CZ2 3.86Å; H359-W425 AromaticContact CE1-NE1 3.65Å; H359-W425 AromaticContact ND1-CE2 3.93Å; H359-W425 AromaticContact ND1-CZ2 3.72Å; H359-W425 AromaticContact ND1-NE1 3.86Å; S422-W425 PolarHBondContact O-N 3.19Å; V423-W425 VanDerWaalsContact C-N 3.31Å; V423-W425 PolarHBondContact O-N 3.27Å; W425-L428 HydrophobicContact CE3-CD2 3.79Å; W425-L428 HydrophobicContact CZ3-CD2 3.91Å; W425-L428 PolarHBondContact O-N 2.99Å; W425-G429 PolarHBondContact O-N 3.45Å; W425-L476 HydrophobicContact CB-CD2 4.1Å; W425-G486 VanDerWaalsContact CD1-C 3.41Å; W425-G486 PolarHBondContact NE1-O 2.71Å; W425-D491 WeakPolarHBondContact CZ2-OD1 3.43Å; W425-D491 PolarHBondContact NE1-OD1 3.19Å; W425-V492 HydrophobicContact CH2-CB 3.88Å; W425-V492 HydrophobicContact CH2-CG2 3.88Å; W425-V492 HydrophobicContact CZ2-CB 3.83Å; W425-V492 HydrophobicContact CZ2-CG2 4.36Å; W425-V495 HydrophobicContact CD2-CG2 3.84Å; W425-V495 HydrophobicContact CE3-CG1 4.45Å; W425-V495 HydrophobicContact CE3-CG2 3.73Å; W425-V495 HydrophobicContact CG-CG2 4.46Å; W425-V495 HydrophobicContact CH2-CG2 4.26Å; W425-V495 HydrophobicContact CZ2-CG2 4.33Å; W425-V495 HydrophobicContact CZ3-CB 4.34Å; W425-V495 HydrophobicContact CZ3-CG1 4.27Å; W425-V495 HydrophobicContact CZ3-CG2 3.94Å
426	W	98.3	Very high	92.4	Very high	1 Å²	1	17.3 Å²	17.3	0%	0.004	10%	0.096	C	C	.	.	H	α-helix	trans	-61.2	-48.9	167.5	175.2	-86	0	0	0	110.8	Y408 L409 A410 P411 S422 V423 L428 G429 V430 F442 I454 L477	Y408-W426 PolarHBondContact O-NE1 3.36Å; L409-W426 PolarHBondContact O-NE1 2.7Å; L409-W426 VanDerWaalsContact O-NE1 3.16Å; A410-W426 HydrophobicContact CB-CB 3.84Å; A410-W426 HydrophobicContact CB-CD2 4.2Å; A410-W426 HydrophobicContact CB-CG 3.66Å; P411-W426 HydrophobicContact CG-CE3 4.29Å; P411-W426 HydrophobicContact CG-CH2 3.62Å; P411-W426 HydrophobicContact CG-CZ2 4.08Å; P411-W426 HydrophobicContact CG-CZ3 3.73Å; S422-W426 PolarHBondContact O-N 2.82Å; V423-W426 WeakPolarHBondContact O-CB 3.42Å; V423-W426 PolarHBondContact O-N 2.54Å; W426-L428 VanDerWaalsContact C-N 3.28Å; W426-L428 PolarHBondContact O-N 3.43Å; W426-G429 CarbonylContact O-C 3.45Å; W426-G429 WeakPolarHBondContact O-CA 3.49Å; W426-G429 PolarHBondContact O-N 3.32Å; W426-V430 PolarHBondContact O-N 3.24Å; W426-F442 AromaticContact CH2-CE2 3.88Å; W426-F442 HydrophobicContact CH2-CE2 3.88Å; W426-F442 HydrophobicContact CZ2-CD2 4.4Å; W426-F442 AromaticContact CZ2-CE2 3.84Å; W426-F442 HydrophobicContact CZ2-CE2 3.84Å; W426-I454 HydrophobicContact CH2-CG2 4.49Å; W426-I454 HydrophobicContact CZ2-CG2 3.99Å; W426-L477 HydrophobicContact CD2-CD2 3.98Å; W426-L477 HydrophobicContact CE3-CD2 4.07Å; W426-L477 HydrophobicContact CH2-CD2 4.38Å; W426-L477 HydrophobicContact CZ2-CD2 4.28Å; W426-L477 HydrophobicContact CZ3-CB 4.23Å; W426-L477 HydrophobicContact CZ3-CD2 4.28Å; W426-L477 VanDerWaalsContact CZ3-O 3.3Å; W426-L477 WeakPolarHBondContact CZ3-O 3.18Å
427	G	98.2	Very high	93.7	Very high	4 Å²	4	12.9 Å²	12.9	4%	0.041	7%	0.073	C	C	.	.	H	α-helix	trans	-56.3	-40.9	176.7	0	0	0	0	0	112.7	V423 D424 G429 V430 V431	V423-G427 PolarHBondContact O-N 3.28Å; D424-G427 PolarHBondContact O-N 2.88Å; G427-G429 VanDerWaalsContact C-N 3.33Å; G427-G429 PolarHBondContact O-N 3.02Å; G427-V430 PolarHBondContact O-N 3.41Å; G427-V431 PolarHBondContact O-N 2.82Å
428	L	98.8	Very high	95	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.1	-43.2	173.6	178	64.8	0	0	0	111.2	I351 T352 L355 L368 D424 W425 W426 V430 V431 M432 L476 V495	I351-L428 HydrophobicContact CB-CD1 4.04Å; I351-L428 HydrophobicContact CG2-CD1 3.78Å; T352-L428 VanDerWaalsContact OG1-CD2 3.31Å; T352-L428 WeakPolarHBondContact OG1-CD2 3.27Å; L355-L428 HydrophobicContact CD1-CB 4.4Å; L368-L428 HydrophobicContact CD2-CB 4.07Å; D424-L428 PolarHBondContact O-N 3.19Å; W425-L428 HydrophobicContact CE3-CD2 3.79Å; W425-L428 HydrophobicContact CZ3-CD2 3.91Å; W425-L428 PolarHBondContact O-N 2.99Å; W426-L428 VanDerWaalsContact C-N 3.28Å; W426-L428 PolarHBondContact O-N 3.43Å; L428-V430 PolarHBondContact O-N 2.94Å; L428-V431 PolarHBondContact O-N 2.92Å; L428-M432 HydrophobicContact CD1-CG 3.93Å; L428-M432 HydrophobicContact CD1-SD 3.8Å; L428-M432 HydrophobicContact CD2-SD 4.34Å; L428-M432 HydrophobicContact CG-CG 4.31Å; L428-M432 HydrophobicContact CG-SD 3.83Å; L428-M432 VanDerWaalsContact O-CB 3.27Å; L428-M432 WeakPolarHBondContact O-CB 3.44Å; L428-M432 VanDerWaalsContact O-CG 3.28Å; L428-M432 WeakPolarHBondContact O-CG 3.37Å; L428-M432 PolarHBondContact O-N 3.48Å; L428-L476 HydrophobicContact CD2-CD1 4.28Å; L428-L476 HydrophobicContact CD2-CD2 4.48Å; L428-L476 HydrophobicContact CG-CD1 4.24Å; L428-V495 HydrophobicContact CD2-CG1 4.1Å
429	G	98.7	Very high	96.1	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-58.1	-45.1	174.3	0	0	0	0	0	112.8	W425 W426 G427 Y433	W425-G429 PolarHBondContact O-N 3.45Å; W426-G429 CarbonylContact O-C 3.45Å; W426-G429 WeakPolarHBondContact O-CA 3.49Å; W426-G429 PolarHBondContact O-N 3.32Å; G427-G429 VanDerWaalsContact C-N 3.33Å; G427-G429 PolarHBondContact O-N 3.02Å; G429-Y433 WeakPolarHBondContact O-CB 3.42Å; G429-Y433 PolarHBondContact O-N 3.03Å
430	V	98.6	Very high	96.9	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.006	8%	0.075	C	C	.	.	H	α-helix	trans	-64.2	-49.6	178.5	179	0	0	0	0	110.7	Y408 W426 G427 L428 M432 Y433 E434 L440 P441 L477	Y408-V430 HydrophobicContact CD1-CB 3.95Å; Y408-V430 HydrophobicContact CD1-CG1 3.39Å; Y408-V430 HydrophobicContact CE1-CB 4.43Å; Y408-V430 HydrophobicContact CE1-CG1 3.63Å; Y408-V430 HydrophobicContact CG-CG1 4.14Å; W426-V430 PolarHBondContact O-N 3.24Å; G427-V430 PolarHBondContact O-N 3.41Å; L428-V430 PolarHBondContact O-N 2.94Å; V430-M432 PolarHBondContact O-N 2.68Å; V430-Y433 PolarHBondContact O-N 3Å; V430-E434 WeakPolarHBondContact O-CB 3.4Å; V430-E434 PolarHBondContact O-N 3.29Å; V430-L440 HydrophobicContact CG1-CD2 3.92Å; V430-P441 HydrophobicContact CG1-CG 4.15Å; V430-P441 HydrophobicContact CG2-CG 4.22Å; V430-L477 HydrophobicContact CG2-CD2 3.86Å
431	V	98.5	Very high	97.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.8	-45.8	178.9	161.6	0	0	0	0	111.7	I351 L368 L370 L373 Y408 G427 L428 E434 M435	I351-V431 HydrophobicContact CD1-CG1 4.18Å; L368-V431 HydrophobicContact CG-CG2 4.14Å; L370-V431 HydrophobicContact CD2-CG1 3.9Å; L370-V431 HydrophobicContact CD2-CG2 4.49Å; L373-V431 HydrophobicContact CD1-CG1 3.7Å; L373-V431 HydrophobicContact CD1-CG2 4.29Å; Y408-V431 HydrophobicContact CD1-CG2 4.42Å; Y408-V431 HydrophobicContact CE1-CG2 3.97Å; G427-V431 PolarHBondContact O-N 2.82Å; L428-V431 PolarHBondContact O-N 2.92Å; V431-E434 PolarHBondContact O-N 2.85Å; V431-M435 HydrophobicContact CG1-CE 3.79Å; V431-M435 WeakPolarHBondContact O-CG 3.46Å; V431-M435 PolarHBondContact O-N 3.38Å
432	M	98.7	Very high	97.6	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-65.8	-39.9	177.7	-74.9	-176.7	66.3	0	0	112.1	L428 V430 M435 M436 I472 L473 L476 F500 F501	L428-M432 HydrophobicContact CD1-CG 3.93Å; L428-M432 HydrophobicContact CD1-SD 3.8Å; L428-M432 HydrophobicContact CD2-SD 4.34Å; L428-M432 HydrophobicContact CG-CG 4.31Å; L428-M432 HydrophobicContact CG-SD 3.83Å; L428-M432 VanDerWaalsContact O-CB 3.27Å; L428-M432 WeakPolarHBondContact O-CB 3.44Å; L428-M432 VanDerWaalsContact O-CG 3.28Å; L428-M432 WeakPolarHBondContact O-CG 3.37Å; L428-M432 PolarHBondContact O-N 3.48Å; V430-M432 PolarHBondContact O-N 2.68Å; M432-M435 HydrophobicContact CB-CE 4.45Å; M432-M435 HydrophobicContact CG-CE 4.02Å; M432-M436 HydrophobicContact CB-CE 3.98Å; M432-M436 HydrophobicContact CE-CE 4.08Å; M432-M436 WeakPolarHBondContact O-CB 3.05Å; M432-M436 WeakPolarHBondContact O-CE 3.33Å; M432-M436 WeakPolarHBondContact O-CG 3.41Å; M432-M436 PolarHBondContact O-N 2.99Å; M432-I472 HydrophobicContact CE-CD1 4.34Å; M432-I472 HydrophobicContact CE-CG2 4.28Å; M432-L473 HydrophobicContact CB-CD2 3.77Å; M432-L476 HydrophobicContact SD-CD1 4.23Å; M432-F500 HydrophobicContact CE-CD1 3.87Å; M432-F500 HydrophobicContact CE-CE1 3.38Å; M432-F500 HydrophobicContact CE-CZ 4.14Å; M432-F501 HydrophobicContact CE-CE1 4.49Å; M432-F501 HydrophobicContact CE-CZ 3.96Å; M432-F501 HydrophobicContact SD-CZ 4.15Å
433	Y	98.7	Very high	97.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60	-48.7	174.2	-178.6	-80	0	0	0	109.7	G429 V430 M435 M436 C437 R439 P441 V459 S460 F461 L473 L477	G429-Y433 WeakPolarHBondContact O-CB 3.42Å; G429-Y433 PolarHBondContact O-N 3.03Å; V430-Y433 PolarHBondContact O-N 3Å; Y433-M435 PolarHBondContact O-N 2.76Å; Y433-M436 PolarHBondContact O-N 3.37Å; Y433-C437 HydrophobicContact CD1-CB 3.86Å; Y433-C437 HydrophobicContact CE1-CB 3.58Å; Y433-C437 HydrophobicContact CE2-CB 4.49Å; Y433-C437 VanDerWaalsContact CE2-SG 3.6Å; Y433-C437 HydrophobicContact CG-CB 4.44Å; Y433-C437 VanDerWaalsContact CZ-SG 3.59Å; Y433-C437 WeakPolarHBondContact O-CA 3.09Å; Y433-C437 WeakPolarHBondContact O-CB 3.16Å; Y433-C437 PolarHBondContact O-N 3.48Å; Y433-C437 PolarHBondContact O-SG 3.47Å; Y433-R439 WeakPolarHBondContact CD1-O 3.45Å; Y433-R439 HydrophobicContact CE1-CG 4.28Å; Y433-R439 WeakPolarHBondContact CE1-O 3.32Å; Y433-R439 PolarHBondContact OH-NH2 3.24Å; Y433-P441 HydrophobicContact CD1-CB 3.85Å; Y433-P441 HydrophobicContact CD1-CG 4.24Å; Y433-P441 HydrophobicContact CD2-CB 4.23Å; Y433-P441 HydrophobicContact CE1-CB 3.94Å; Y433-P441 HydrophobicContact CE2-CB 4.32Å; Y433-P441 HydrophobicContact CG-CB 4.01Å; Y433-P441 HydrophobicContact CG-CG 4.44Å; Y433-V459 HydrophobicContact CD2-CG1 3.94Å; Y433-V459 HydrophobicContact CE2-CG1 3.56Å; Y433-S460 WeakPolarHBondContact CE2-O 3.46Å; Y433-S460 PolarHBondContact OH-O 3.08Å; Y433-F461 HydrophobicContact CD2-CD1 4.38Å; Y433-F461 HydrophobicContact CD2-CE1 4.24Å; Y433-F461 HydrophobicContact CE2-CD1 4.11Å; Y433-F461 HydrophobicContact CE2-CE1 4.26Å; Y433-L473 HydrophobicContact CD2-CD1 4.05Å; Y433-L477 HydrophobicContact CD2-CD1 4.41Å
434	E	98.1	Very high	97.6	Very high	21 Å²	21	20.4 Å²	20.4	10%	0.098	10%	0.1	C	C	.	.	H	α-helix	trans	-63.5	-43.1	-177.7	-165.4	173.4	-177	0	0	112.2	L333 L370 Y408 V430 V431 M436 G438 R439 L440	L333-E434 HydrophobicContact CD2-CG 3.87Å; L370-E434 HydrophobicContact CD1-CB 4.26Å; L370-E434 HydrophobicContact CD1-CG 3.84Å; L370-E434 VanDerWaalsContact CD1-OE2 3.28Å; L370-E434 WeakPolarHBondContact CD1-OE2 3.26Å; Y408-E434 PolarHBondContact OH-OE2 2.98Å; V430-E434 WeakPolarHBondContact O-CB 3.4Å; V430-E434 PolarHBondContact O-N 3.29Å; V431-E434 PolarHBondContact O-N 2.85Å; E434-M436 PolarHBondContact O-N 3.38Å; E434-G438 VanDerWaalsContact O-CA 3.28Å; E434-G438 WeakPolarHBondContact O-CA 3.45Å; E434-G438 PolarHBondContact O-N 3.09Å; E434-R439 WeakPolarHBondContact CA-O 3.4Å; E434-L440 WeakPolarHBondContact OE2-CD2 3.38Å
435	M	98.5	Very high	97.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-57.9	-45.9	173.4	-73.6	-171.1	-68.5	0	0	112.4	L329 F339 A344 Y347 L370 V431 M432 Y433	L329-M435 HydrophobicContact CD2-SD 3.85Å; F339-M435 HydrophobicContact CB-CB 4.45Å; F339-M435 HydrophobicContact CD2-CB 3.98Å; F339-M435 HydrophobicContact CD2-CG 3.76Å; F339-M435 HydrophobicContact CD2-SD 3.89Å; F339-M435 HydrophobicContact CE2-CG 4.15Å; F339-M435 HydrophobicContact CE2-SD 4.23Å; F339-M435 PolarHBondContact N-O 3.22Å; A344-M435 HydrophobicContact CB-CB 4.04Å; A344-M435 HydrophobicContact CB-CE 4.31Å; Y347-M435 HydrophobicContact CD2-SD 3.88Å; L370-M435 HydrophobicContact CD2-CG 4.17Å; V431-M435 HydrophobicContact CG1-CE 3.79Å; V431-M435 WeakPolarHBondContact O-CG 3.46Å; V431-M435 PolarHBondContact O-N 3.38Å; M432-M435 HydrophobicContact CB-CE 4.45Å; M432-M435 HydrophobicContact CG-CE 4.02Å; Y433-M435 PolarHBondContact O-N 2.76Å
436	M	98.4	Very high	97.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-83.7	-23	-174.9	-70.7	-171.4	-80.9	0	0	113.7	V338 E341 A344 M432 Y433 E434 R464 L465 A469 L473 F500	V338-M436 WeakPolarHBondContact CG1-O 3.39Å; E341-M436 HydrophobicContact CB-SD 4.47Å; E341-M436 HydrophobicContact CG-SD 4.02Å; A344-M436 HydrophobicContact CB-CG 3.4Å; A344-M436 VanDerWaalsContact CB-CG 3.4Å; A344-M436 HydrophobicContact CB-SD 4.17Å; M432-M436 HydrophobicContact CB-CE 3.98Å; M432-M436 HydrophobicContact CE-CE 4.08Å; M432-M436 WeakPolarHBondContact O-CB 3.05Å; M432-M436 WeakPolarHBondContact O-CE 3.33Å; M432-M436 WeakPolarHBondContact O-CG 3.41Å; M432-M436 PolarHBondContact O-N 2.99Å; Y433-M436 PolarHBondContact O-N 3.37Å; E434-M436 PolarHBondContact O-N 3.38Å; M436-R464 PolarHBondContact O-NH1 3.35Å; M436-R464 PolarHBondContact O-NH2 3.07Å; M436-L465 HydrophobicContact CB-CD2 3.94Å; M436-A469 HydrophobicContact SD-CB 4.02Å; M436-L473 HydrophobicContact CE-CD1 3.69Å; M436-L473 HydrophobicContact CE-CD2 3.7Å; M436-L473 HydrophobicContact CE-CG 3.78Å; M436-F500 HydrophobicContact CE-CZ 4.38Å; M436-F500 HydrophobicContact SD-CE2 4.23Å; M436-F500 HydrophobicContact SD-CZ 3.98Å
437	C	97.8	Very high	96.6	Very high	13 Å²	13	33.2 Å²	33.2	9%	0.088	18%	0.175	C	C	.	.	H	α-helix	trans	-104.5	-25.3	-176.3	-67.1	0	0	0	0	113.4	Y433 R439 R464	Y433-C437 HydrophobicContact CD1-CB 3.86Å; Y433-C437 HydrophobicContact CE1-CB 3.58Å; Y433-C437 HydrophobicContact CE2-CB 4.49Å; Y433-C437 VanDerWaalsContact CE2-SG 3.6Å; Y433-C437 HydrophobicContact CG-CB 4.44Å; Y433-C437 VanDerWaalsContact CZ-SG 3.59Å; Y433-C437 WeakPolarHBondContact O-CA 3.09Å; Y433-C437 WeakPolarHBondContact O-CB 3.16Å; Y433-C437 PolarHBondContact O-N 3.48Å; Y433-C437 PolarHBondContact O-SG 3.47Å; C437-R439 VanDerWaalsContact C-N 3.3Å; C437-R439 HydrophobicContact CB-CG 4.27Å; C437-R464 VanDerWaalsContact CA-NH2 3.34Å; C437-R464 PolarHBondContact O-NH2 3.23Å
438	G	96.4	Very high	96	Very high	35 Å²	35	40.5 Å²	40.5	36%	0.361	21%	0.208	S	C	.	.	S	Bend	trans	74.7	17	-173.9	0	0	0	0	0	114.4	R337 E434	R337-G438 WeakPolarHBondContact O-CA 3.35Å; E434-G438 VanDerWaalsContact O-CA 3.28Å; E434-G438 WeakPolarHBondContact O-CA 3.45Å; E434-G438 PolarHBondContact O-N 3.09Å
439	R	96.1	Very high	95.8	Very high	124 Å²	124	43.4 Å²	43.4	47%	0.468	23%	0.225	S	C	.	.	S	Bend	trans	-157.8	158	179.1	63.3	178.4	-175.8	130.2	6.1	109.7	Y433 E434 C437 S460	Y433-R439 WeakPolarHBondContact CD1-O 3.45Å; Y433-R439 HydrophobicContact CE1-CG 4.28Å; Y433-R439 WeakPolarHBondContact CE1-O 3.32Å; Y433-R439 PolarHBondContact OH-NH2 3.24Å; E434-R439 WeakPolarHBondContact CA-O 3.4Å; C437-R439 VanDerWaalsContact C-N 3.3Å; C437-R439 HydrophobicContact CB-CG 4.27Å; R439-S460 PolarHBondContact NH2-OG 2.96Å
440	L	97.1	Very high	95.5	Very high	28 Å²	28	43.4 Å²	43.4	15%	0.147	23%	0.225	C	C	.	.			trans	-64.6	151.7	171.9	-71.2	163.3	0	0	0	112.1	E407 Y408 V430 E434 F442 Y443	E407-L440 HydrophobicContact CB-CD1 3.79Å; E407-L440 HydrophobicContact CB-CD2 4.34Å; E407-L440 HydrophobicContact CG-CD1 3.84Å; Y408-L440 HydrophobicContact CE1-CD2 4.45Å; Y408-L440 HydrophobicContact CE2-CD2 4.32Å; V430-L440 HydrophobicContact CG1-CD2 3.92Å; E434-L440 WeakPolarHBondContact OE2-CD2 3.38Å; L440-F442 VanDerWaalsContact C-N 3.32Å; L440-F442 WeakPolarHBondContact CB-O 3.4Å; L440-Y443 HydrophobicContact CD1-CD2 3.94Å
441	P	97.6	Very high	95.1	Very high	12 Å²	12	46 Å²	46	8%	0.078	24%	0.237	C	C	.	.	S	Bend	trans	-67	-34.5	175.8	26	-32.2	0	0	0	112.2	V430 Y433 V459 L477	V430-P441 HydrophobicContact CG1-CG 4.15Å; V430-P441 HydrophobicContact CG2-CG 4.22Å; Y433-P441 HydrophobicContact CD1-CB 3.85Å; Y433-P441 HydrophobicContact CD1-CG 4.24Å; Y433-P441 HydrophobicContact CD2-CB 4.23Å; Y433-P441 HydrophobicContact CE1-CB 3.94Å; Y433-P441 HydrophobicContact CE2-CB 4.32Å; Y433-P441 HydrophobicContact CG-CB 4.01Å; Y433-P441 HydrophobicContact CG-CG 4.44Å; P441-V459 HydrophobicContact CB-CG1 4.41Å; P441-V459 HydrophobicContact CB-CG2 4.25Å; P441-L477 HydrophobicContact CB-CD1 4.35Å
442	F	96.8	Very high	94.9	Very high	8 Å²	8	51 Å²	51	4%	0.035	26%	0.26	C	S	.	.	S	Bend	trans	-130.6	135.9	175.9	-49.6	-73.2	0	0	0	108.6	W426 L440 L450 L453 I454 E457 V459	W426-F442 AromaticContact CH2-CE2 3.88Å; W426-F442 HydrophobicContact CH2-CE2 3.88Å; W426-F442 HydrophobicContact CZ2-CD2 4.4Å; W426-F442 AromaticContact CZ2-CE2 3.84Å; W426-F442 HydrophobicContact CZ2-CE2 3.84Å; L440-F442 VanDerWaalsContact C-N 3.32Å; L440-F442 WeakPolarHBondContact CB-O 3.4Å; F442-L450 HydrophobicContact CB-CD1 4.15Å; F442-L453 HydrophobicContact CB-CB 4.23Å; F442-L453 HydrophobicContact CD1-CB 4.11Å; F442-L453 HydrophobicContact CG-CB 4.5Å; F442-I454 HydrophobicContact CB-CG1 3.9Å; F442-I454 HydrophobicContact CD2-CG1 3.82Å; F442-I454 HydrophobicContact CG-CG1 3.99Å; F442-E457 HydrophobicContact CE1-CB 4.22Å; F442-E457 WeakPolarHBondContact CE1-O 3.45Å; F442-V459 HydrophobicContact CE1-CG2 4.13Å; F442-V459 HydrophobicContact CE2-CG2 3.91Å; F442-V459 HydrophobicContact CZ-CG2 3.39Å
443	Y	95.1	Very high	94.7	Very high	157 Å²	157	53.4 Å²	53.4	62%	0.616	27%	0.273	S	S	*	.			trans	-153.6	134.2	178.9	-177.1	-100.5	0	0	0	110.7	L440	L440-Y443 HydrophobicContact CD1-CD2 3.94Å
444	S	93.7	Very high	94.5	Very high	22 Å²	22	53.4 Å²	53.4	15%	0.154	27%	0.273	C	S	.	.			trans	-155.2	146.5	168.6	176.2	0	0	0	0	107.9	D446	S444-D446 WeakPolarHBondContact CB-O 3.42Å; S444-D446 PolarHBondContact O-N 3.15Å; S444-D446 PolarHBondContact OG-N 2.75Å; S444-D446 VanDerWaalsContact OG-N 3.09Å; S444-D446 PolarHBondContact OG-O 2.88Å
445	S	93.3	Very high	94.1	Very high	112 Å²	112	55 Å²	55	78%	0.783	28%	0.281	S	S	*	.	S	Bend	trans	-71.5	-20.3	170.5	55.2	0	0	0	0	112.7
446	D	92.9	Very high	93.8	Very high	78 Å²	78	61.4 Å²	61.4	42%	0.417	31%	0.311	S	S	.	.	S	Bend	trans	-95.3	119.5	174.4	-172.3	-26.8	0	0	0	109.2	S444 E448 V449 L450	S444-D446 WeakPolarHBondContact CB-O 3.42Å; S444-D446 PolarHBondContact O-N 3.15Å; S444-D446 PolarHBondContact OG-N 2.75Å; S444-D446 VanDerWaalsContact OG-N 3.09Å; S444-D446 PolarHBondContact OG-O 2.88Å; D446-E448 VanDerWaalsContact C-N 3.3Å; D446-E448 PolarHBondContact O-N 2.85Å; D446-E448 PolarHBondContact OD1-N 3.28Å; D446-V449 HydrophobicContact CB-CB 4.13Å; D446-V449 HydrophobicContact CB-CG2 3.92Å; D446-V449 PolarHBondContact O-N 2.71Å; D446-L450 WeakPolarHBondContact O-CB 3.31Å; D446-L450 PolarHBondContact O-N 2.95Å
447	H	86	Confident	93.7	Very high	83 Å²	83	66.7 Å²	66.7	38%	0.384	34%	0.336	S	S	.	.	H	α-helix	trans	-62.9	-33.3	-179.8	-72.8	-179.2	0	0	0	112.8	L450 F451	H447-L450 PolarHBondContact O-N 2.69Å; H447-F451 HydrophobicContact CB-CE2 4.22Å; H447-F451 HydrophobicContact CB-CZ 4.19Å; H447-F451 WeakPolarHBondContact O-CB 3.26Å; H447-F451 WeakPolarHBondContact O-CD1 3.35Å; H447-F451 VanDerWaalsContact O-CD2 3.26Å; H447-F451 WeakPolarHBondContact O-CD2 3.23Å; H447-F451 WeakPolarHBondContact O-CG 3.31Å; H447-F451 PolarHBondContact O-N 3.25Å
448	E	86.9	Confident	93.5	Very high	157 Å²	157	72.3 Å²	72.3	73%	0.734	37%	0.365	S	S	*	.	H	α-helix	trans	-65.8	-44.5	178.3	-65.4	-174.1	177.9	0	0	110.2	D446 F451 E452	D446-E448 VanDerWaalsContact C-N 3.3Å; D446-E448 PolarHBondContact O-N 2.85Å; D446-E448 PolarHBondContact OD1-N 3.28Å; E448-F451 PolarHBondContact O-N 3.03Å; E448-E452 PolarHBondContact O-N 3.04Å
449	V	93.2	Very high	93.4	Very high	60 Å²	60	71.8 Å²	71.8	36%	0.364	36%	0.355	S	S	.	.	H	α-helix	trans	-66.2	-41.6	175	179.9	0	0	0	0	110.9	D446 F451 E452 L453	D446-V449 HydrophobicContact CB-CB 4.13Å; D446-V449 HydrophobicContact CB-CG2 3.92Å; D446-V449 PolarHBondContact O-N 2.71Å; V449-F451 VanDerWaalsContact C-N 3.33Å; V449-F451 PolarHBondContact O-N 2.8Å; V449-E452 PolarHBondContact O-N 3.38Å; V449-L453 HydrophobicContact CG1-CD1 4.26Å; V449-L453 HydrophobicContact CG1-CG 4.43Å; V449-L453 VanDerWaalsContact O-CG 3.28Å; V449-L453 WeakPolarHBondContact O-CG 3.32Å; V449-L453 PolarHBondContact O-N 2.63Å
450	L	93.4	Very high	93.4	Very high	0 Å²	0	69 Å²	69	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-58.6	-46.3	176.4	176	61.3	0	0	0	111.2	P406 E407 F442 D446 H447 E452 L453 I454	P406-L450 HydrophobicContact CB-CD2 4.1Å; E407-L450 HydrophobicContact CG-CD2 3.99Å; F442-L450 HydrophobicContact CB-CD1 4.15Å; D446-L450 WeakPolarHBondContact O-CB 3.31Å; D446-L450 PolarHBondContact O-N 2.95Å; H447-L450 PolarHBondContact O-N 2.69Å; L450-E452 VanDerWaalsContact C-N 3.35Å; L450-L453 WeakPolarHBondContact O-CB 3.37Å; L450-L453 PolarHBondContact O-N 3.44Å; L450-I454 HydrophobicContact CD1-CD1 4.02Å; L450-I454 HydrophobicContact CD1-CG1 4.33Å; L450-I454 HydrophobicContact CG-CD1 3.97Å; L450-I454 WeakPolarHBondContact O-CG1 3.41Å; L450-I454 PolarHBondContact O-N 2.98Å
451	F	90.9	Very high	93.3	Very high	55 Å²	55	70.5 Å²	70.5	24%	0.241	36%	0.36	C	S	.	.	H	α-helix	trans	-64.7	-40.3	178.4	-62.1	-19.6	0	0	0	111.3	P406 L414 H447 E448 V449 L453 I454 L455	P406-F451 HydrophobicContact CB-CE1 4.07Å; L414-F451 HydrophobicContact CD1-CB 4.17Å; L414-F451 HydrophobicContact CD1-CD1 3.9Å; L414-F451 HydrophobicContact CD1-CG 4.26Å; L414-F451 HydrophobicContact CD2-CD1 3.52Å; L414-F451 HydrophobicContact CD2-CE1 3.61Å; L414-F451 HydrophobicContact CD2-CG 4.01Å; L414-F451 HydrophobicContact CD2-CZ 4.18Å; L414-F451 HydrophobicContact CG-CD1 4.37Å; H447-F451 HydrophobicContact CB-CE2 4.22Å; H447-F451 HydrophobicContact CB-CZ 4.19Å; H447-F451 WeakPolarHBondContact O-CB 3.26Å; H447-F451 WeakPolarHBondContact O-CD1 3.35Å; H447-F451 VanDerWaalsContact O-CD2 3.26Å; H447-F451 WeakPolarHBondContact O-CD2 3.23Å; H447-F451 WeakPolarHBondContact O-CG 3.31Å; H447-F451 PolarHBondContact O-N 3.25Å; E448-F451 PolarHBondContact O-N 3.03Å; V449-F451 VanDerWaalsContact C-N 3.33Å; V449-F451 PolarHBondContact O-N 2.8Å; F451-L453 PolarHBondContact O-N 2.59Å; F451-I454 PolarHBondContact O-N 3.29Å; F451-L455 WeakPolarHBondContact O-CB 3.5Å; F451-L455 WeakPolarHBondContact O-CG 3.49Å; F451-L455 PolarHBondContact O-N 3.2Å
452	E	92.8	Very high	93.2	Very high	107 Å²	107	71.5 Å²	71.5	50%	0.5	37%	0.366	S	S	.	.	H	α-helix	trans	-60.5	-43.8	173.8	-172.4	172.7	-161	0	0	112.1	E448 V449 L450 L455 Q456	E448-E452 PolarHBondContact O-N 3.04Å; V449-E452 PolarHBondContact O-N 3.38Å; L450-E452 VanDerWaalsContact C-N 3.35Å; E452-L455 PolarHBondContact O-N 3.09Å; E452-Q456 HydrophobicContact CG-CG 4.43Å; E452-Q456 WeakPolarHBondContact O-CB 3.3Å; E452-Q456 PolarHBondContact O-N 3.27Å
453	L	95.3	Very high	93.1	Very high	49 Å²	49	76 Å²	76	26%	0.257	41%	0.406	S	S	.	.	H	α-helix	trans	-59.5	-48.2	175.1	-69.2	170.9	0	0	0	111.5	F442 V449 L450 F451 L455 Q456 E457	F442-L453 HydrophobicContact CB-CB 4.23Å; F442-L453 HydrophobicContact CD1-CB 4.11Å; F442-L453 HydrophobicContact CG-CB 4.5Å; V449-L453 HydrophobicContact CG1-CD1 4.26Å; V449-L453 HydrophobicContact CG1-CG 4.43Å; V449-L453 VanDerWaalsContact O-CG 3.28Å; V449-L453 WeakPolarHBondContact O-CG 3.32Å; V449-L453 PolarHBondContact O-N 2.63Å; L450-L453 WeakPolarHBondContact O-CB 3.37Å; L450-L453 PolarHBondContact O-N 3.44Å; F451-L453 PolarHBondContact O-N 2.59Å; L453-L455 VanDerWaalsContact C-N 3.26Å; L453-L455 PolarHBondContact O-N 3.04Å; L453-Q456 PolarHBondContact O-N 3.12Å; L453-E457 HydrophobicContact CB-CB 4.46Å; L453-E457 HydrophobicContact CD2-CB 3.96Å; L453-E457 HydrophobicContact CD2-CG 4.17Å; L453-E457 WeakPolarHBondContact O-CB 3.36Å; L453-E457 PolarHBondContact O-N 3.46Å
454	I	93.4	Very high	93.1	Very high	1 Å²	1	75 Å²	75	1%	0.005	40%	0.4	C	S	.	.	H	α-helix	trans	-61.6	-36.5	178.1	-67.6	167.5	0	0	0	111	P406 P411 L414 W426 F442 L450 F451 K479	P406-I454 WeakPolarHBondContact O-CD1 3.2Å; P411-I454 HydrophobicContact CG-CG2 3.95Å; L414-I454 HydrophobicContact CD1-CB 3.73Å; L414-I454 HydrophobicContact CD1-CD1 4.01Å; L414-I454 HydrophobicContact CD1-CG1 4.49Å; L414-I454 HydrophobicContact CD1-CG2 3.49Å; L414-I454 VanDerWaalsContact CD1-CG2 3.49Å; W426-I454 HydrophobicContact CH2-CG2 4.49Å; W426-I454 HydrophobicContact CZ2-CG2 3.99Å; F442-I454 HydrophobicContact CB-CG1 3.9Å; F442-I454 HydrophobicContact CD2-CG1 3.82Å; F442-I454 HydrophobicContact CG-CG1 3.99Å; L450-I454 HydrophobicContact CD1-CD1 4.02Å; L450-I454 HydrophobicContact CD1-CG1 4.33Å; L450-I454 HydrophobicContact CG-CD1 3.97Å; L450-I454 WeakPolarHBondContact O-CG1 3.41Å; L450-I454 PolarHBondContact O-N 2.98Å; F451-I454 PolarHBondContact O-N 3.29Å; I454-K479 PolarHBondContact O-NZ 2.91Å
455	L	90.8	Very high	93.3	Very high	53 Å²	53	74.2 Å²	74.2	28%	0.277	40%	0.395	S	S	.	.	H	α-helix	trans	-81.5	-31.9	-177.4	-68.8	175.3	0	0	0	114.1	P411 L414 L415 F451 E452 L453 K479	P411-L455 HydrophobicContact CB-CD2 3.97Å; L414-L455 HydrophobicContact CB-CD2 4.14Å; L414-L455 HydrophobicContact CD1-CD2 4.45Å; L414-L455 HydrophobicContact CD1-CG 4.34Å; L415-L455 HydrophobicContact CD1-CD2 4.05Å; L415-L455 HydrophobicContact CD2-CD1 3.99Å; L415-L455 HydrophobicContact CD2-CD2 3.82Å; L415-L455 HydrophobicContact CG-CD2 3.63Å; F451-L455 WeakPolarHBondContact O-CB 3.5Å; F451-L455 WeakPolarHBondContact O-CG 3.49Å; F451-L455 PolarHBondContact O-N 3.2Å; E452-L455 PolarHBondContact O-N 3.09Å; L453-L455 VanDerWaalsContact C-N 3.26Å; L453-L455 PolarHBondContact O-N 3.04Å; L455-K479 WeakPolarHBondContact O-CD 3.44Å; L455-K479 WeakPolarHBondContact O-CE 3.35Å
456	Q	92.5	Very high	93.5	Very high	135 Å²	135	70.9 Å²	70.9	63%	0.631	37%	0.372	S	S	*	.	H	α-helix	trans	-120.7	-39.7	-168.3	-57.8	-166.1	10.6	0	0	114	E452 L453	E452-Q456 HydrophobicContact CG-CG 4.43Å; E452-Q456 WeakPolarHBondContact O-CB 3.3Å; E452-Q456 PolarHBondContact O-N 3.27Å; L453-Q456 PolarHBondContact O-N 3.12Å
457	E	95.2	Very high	93.8	Very high	112 Å²	112	74 Å²	74	52%	0.523	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-75.6	139.3	-170.4	-170.8	60	-161.6	0	0	111.7	F442 L453 K479	F442-E457 HydrophobicContact CE1-CB 4.22Å; F442-E457 WeakPolarHBondContact CE1-O 3.45Å; L453-E457 HydrophobicContact CB-CB 4.46Å; L453-E457 HydrophobicContact CD2-CB 3.96Å; L453-E457 HydrophobicContact CD2-CG 4.17Å; L453-E457 WeakPolarHBondContact O-CB 3.36Å; L453-E457 PolarHBondContact O-N 3.46Å; E457-K479 VanDerWaalsContact O-CE 3.3Å; E457-K479 WeakPolarHBondContact O-CE 3.21Å; E457-K479 PolarHBondContact O-NZ 3.14Å
458	N	93.8	Very high	94.4	Very high	130 Å²	130	71.9 Å²	71.9	70%	0.695	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-78.5	143	174	-71.6	-44.9	0	0	0	110.6	S460	N458-S460 PolarHBondContact O-N 3.4Å
459	V	95.1	Very high	94.9	Very high	25 Å²	25	64.4 Å²	64.4	15%	0.152	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-64.2	134.5	175.2	174.9	0	0	0	0	110.1	Y433 P441 F442 F461 L477	Y433-V459 HydrophobicContact CD2-CG1 3.94Å; Y433-V459 HydrophobicContact CE2-CG1 3.56Å; P441-V459 HydrophobicContact CB-CG1 4.41Å; P441-V459 HydrophobicContact CB-CG2 4.25Å; F442-V459 HydrophobicContact CE1-CG2 4.13Å; F442-V459 HydrophobicContact CE2-CG2 3.91Å; F442-V459 HydrophobicContact CZ-CG2 3.39Å; V459-F461 HydrophobicContact CB-CE1 4.34Å; V459-F461 HydrophobicContact CB-CE2 4.41Å; V459-F461 HydrophobicContact CB-CZ 3.91Å; V459-F461 HydrophobicContact CG1-CD1 4.06Å; V459-F461 HydrophobicContact CG1-CE1 3.4Å; V459-F461 HydrophobicContact CG1-CE2 4.17Å; V459-F461 HydrophobicContact CG1-CZ 3.47Å; V459-F461 VanDerWaalsContact CG1-CZ 3.47Å; V459-L477 HydrophobicContact CG1-CD1 4.24Å; V459-L477 HydrophobicContact CG2-CB 4.04Å; V459-L477 HydrophobicContact CG2-CD1 3.86Å
460	S	95.2	Very high	95.2	Very high	65 Å²	65	64.3 Å²	64.3	46%	0.455	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-100.8	136.1	174.2	59.7	0	0	0	0	111.2	Y433 R439 N458	Y433-S460 WeakPolarHBondContact CE2-O 3.46Å; Y433-S460 PolarHBondContact OH-O 3.08Å; R439-S460 PolarHBondContact NH2-OG 2.96Å; N458-S460 PolarHBondContact O-N 3.4Å
461	F	95.9	Very high	95.4	Very high	59 Å²	59	66.1 Å²	66.1	26%	0.259	35%	0.347	S	S	.	.			trans	-112.6	134	-178.2	-55.1	-74.2	0	0	0	111.4	Y433 V459 L465 Q470 L473	Y433-F461 HydrophobicContact CD2-CD1 4.38Å; Y433-F461 HydrophobicContact CD2-CE1 4.24Å; Y433-F461 HydrophobicContact CE2-CD1 4.11Å; Y433-F461 HydrophobicContact CE2-CE1 4.26Å; V459-F461 HydrophobicContact CB-CE1 4.34Å; V459-F461 HydrophobicContact CB-CE2 4.41Å; V459-F461 HydrophobicContact CB-CZ 3.91Å; V459-F461 HydrophobicContact CG1-CD1 4.06Å; V459-F461 HydrophobicContact CG1-CE1 3.4Å; V459-F461 HydrophobicContact CG1-CE2 4.17Å; V459-F461 HydrophobicContact CG1-CZ 3.47Å; V459-F461 VanDerWaalsContact CG1-CZ 3.47Å; F461-L465 HydrophobicContact CB-CD1 4.48Å; F461-L465 HydrophobicContact CD1-CD1 4.4Å; F461-Q470 HydrophobicContact CB-CG 4.02Å; F461-Q470 HydrophobicContact CG-CG 4.26Å; F461-L473 HydrophobicContact CD1-CB 4.44Å; F461-L473 HydrophobicContact CD1-CD1 4.26Å; F461-L473 HydrophobicContact CE1-CB 3.62Å; F461-L473 HydrophobicContact CE1-CD1 4.16Å; F461-L473 HydrophobicContact CZ-CB 4.3Å
462	P	94.9	Very high	95.8	Very high	33 Å²	33	63.5 Å²	63.5	21%	0.214	34%	0.336	C	S	.	.			trans	-63	137.6	170.1	-20.9	32.6	0	0	0	111.4	R464 L465	P462-R464 HydrophobicContact CB-CG 3.86Å; P462-R464 PolarHBondContact O-N 3.4Å; P462-L465 PolarHBondContact O-N 3.48Å
463	A	94.3	Very high	96	Very high	104 Å²	104	58.4 Å²	58.4	86%	0.86	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-17.2	-179.9	0	0	0	0	0	114.6	L465	A463-L465 VanDerWaalsContact C-N 3.31Å
464	R	96.4	Very high	96.2	Very high	134 Å²	134	58.4 Å²	58.4	51%	0.506	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-15.3	176.5	62.3	166.2	-179.7	73.3	-5.9	114.3	M436 C437 P462	M436-R464 PolarHBondContact O-NH1 3.35Å; M436-R464 PolarHBondContact O-NH2 3.07Å; C437-R464 VanDerWaalsContact CA-NH2 3.34Å; C437-R464 PolarHBondContact O-NH2 3.23Å; P462-R464 HydrophobicContact CB-CG 3.86Å; P462-R464 PolarHBondContact O-N 3.4Å
465	L	97.6	Very high	96.4	Very high	7 Å²	7	63.9 Å²	63.9	4%	0.037	34%	0.336	C	S	.	.	S	Bend	trans	-74.2	138.6	177.6	-70	-178.2	0	0	0	110.2	E341 M436 F461 P462 A463 A469 Q470 L473	E341-L465 HydrophobicContact CG-CD2 4.46Å; E341-L465 WeakPolarHBondContact OE1-CA 3.43Å; M436-L465 HydrophobicContact CB-CD2 3.94Å; F461-L465 HydrophobicContact CB-CD1 4.48Å; F461-L465 HydrophobicContact CD1-CD1 4.4Å; P462-L465 PolarHBondContact O-N 3.48Å; A463-L465 VanDerWaalsContact C-N 3.31Å; L465-A469 HydrophobicContact CB-CB 4.39Å; L465-Q470 HydrophobicContact CB-CG 3.72Å; L465-Q470 HydrophobicContact CD1-CG 4.44Å; L465-Q470 PolarHBondContact O-NE2 3.25Å; L465-L473 HydrophobicContact CD1-CD1 4.05Å
466	S	98	Very high	96.8	Very high	42 Å²	42	61.3 Å²	61.3	29%	0.294	32%	0.323	S	S	.	.			trans	-63.2	157.3	173.5	76.1	0	0	0	0	111.4	E341 A469 Q470	E341-S466 PolarHBondContact OE1-N 3.29Å; E341-S466 PolarHBondContact OE1-OG 2.92Å; E341-S466 VanDerWaalsContact OE2-CB 3.25Å; E341-S466 WeakPolarHBondContact OE2-CB 3.32Å; E341-S466 PolarHBondContact OE2-OG 3.2Å; S466-A469 WeakPolarHBondContact O-CB 3.21Å; S466-A469 PolarHBondContact O-N 3.2Å; S466-A469 VanDerWaalsContact O-N 3.14Å; S466-A469 WeakPolarHBondContact OG-CB 3.38Å; S466-A469 PolarHBondContact OG-N 3.25Å; S466-Q470 WeakPolarHBondContact O-CG 3.13Å; S466-Q470 PolarHBondContact O-N 3.3Å
467	H	98	Very high	97.1	Very high	143 Å²	143	55.4 Å²	55.4	66%	0.662	30%	0.296	S	S	*	.	H	α-helix	trans	-58.7	-44.2	177.9	-173.2	66.4	0	0	0	112.8	A469 Q470 D471	H467-A469 VanDerWaalsContact C-N 3.29Å; H467-A469 PolarHBondContact O-N 3.22Å; H467-Q470 PolarHBondContact O-N 2.84Å; H467-D471 WeakPolarHBondContact O-CB 3.48Å; H467-D471 PolarHBondContact O-N 2.97Å
468	P	98.3	Very high	97.2	Very high	38 Å²	38	52.8 Å²	52.8	25%	0.247	29%	0.285	C	S	.	.	H	α-helix	trans	-60	-34.6	174.1	-25.6	35.6	0	0	0	114.2	I472 L499 F500	P468-I472 PolarHBondContact O-N 3.24Å; P468-L499 HydrophobicContact CG-CD2 4.3Å; P468-F500 HydrophobicContact CB-CB 4.29Å; P468-F500 HydrophobicContact CB-CD2 4.23Å
469	A	98.6	Very high	97.2	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-70.1	-43.7	177	0	0	0	0	0	111.8	E341 M436 L465 S466 H467 I472 L473 F500	E341-A469 HydrophobicContact CG-CB 4.42Å; M436-A469 HydrophobicContact SD-CB 4.02Å; L465-A469 HydrophobicContact CB-CB 4.39Å; S466-A469 WeakPolarHBondContact O-CB 3.21Å; S466-A469 PolarHBondContact O-N 3.2Å; S466-A469 VanDerWaalsContact O-N 3.14Å; S466-A469 WeakPolarHBondContact OG-CB 3.38Å; S466-A469 PolarHBondContact OG-N 3.25Å; H467-A469 VanDerWaalsContact C-N 3.29Å; H467-A469 PolarHBondContact O-N 3.22Å; A469-I472 WeakPolarHBondContact O-CG2 2.86Å; A469-L473 WeakPolarHBondContact O-CB 3.38Å; A469-L473 WeakPolarHBondContact O-CG 3.21Å; A469-L473 PolarHBondContact O-N 3.19Å; A469-F500 HydrophobicContact CB-CD2 4.07Å; A469-F500 HydrophobicContact CB-CE2 3.77Å
470	Q	98.3	Very high	97.1	Very high	58 Å²	58	51.1 Å²	51.1	27%	0.271	27%	0.273	S	S	.	.	H	α-helix	trans	-63.5	-43.4	174.7	-65.2	-177.6	37.6	0	0	111.2	F461 L465 S466 H467 L473 S474	F461-Q470 HydrophobicContact CB-CG 4.02Å; F461-Q470 HydrophobicContact CG-CG 4.26Å; L465-Q470 HydrophobicContact CB-CG 3.72Å; L465-Q470 HydrophobicContact CD1-CG 4.44Å; L465-Q470 PolarHBondContact O-NE2 3.25Å; S466-Q470 WeakPolarHBondContact O-CG 3.13Å; S466-Q470 PolarHBondContact O-N 3.3Å; H467-Q470 PolarHBondContact O-N 2.84Å; Q470-L473 PolarHBondContact O-N 2.88Å; Q470-S474 VanDerWaalsContact O-CB 3.24Å; Q470-S474 WeakPolarHBondContact O-CB 3.41Å; Q470-S474 PolarHBondContact O-N 2.98Å; Q470-S474 PolarHBondContact O-OG 3.48Å
471	D	98.2	Very high	96.9	Very high	39 Å²	39	49.7 Å²	49.7	21%	0.209	26%	0.262	C	S	.	.	H	α-helix	trans	-62.3	-49	-179.7	-172.8	51.1	0	0	0	111.3	H467 L473 S474 R475 H498	H467-D471 WeakPolarHBondContact O-CB 3.48Å; H467-D471 PolarHBondContact O-N 2.97Å; D471-L473 PolarHBondContact O-N 3.26Å; D471-S474 PolarHBondContact O-N 3.45Å; D471-S474 PolarHBondContact O-OG 3.35Å; D471-R475 VanDerWaalsContact O-CG 3.31Å; D471-R475 WeakPolarHBondContact O-CG 3.48Å; D471-R475 PolarHBondContact O-N 2.88Å; D471-R475 IonicContact OD1-CZ 3.67Å; D471-R475 IonicContact OD1-NE 3.75Å; D471-R475 PolarHBondContact OD1-NE 3.44Å; D471-R475 IonicContact OD1-NH2 3.67Å; D471-R475 PolarHBondContact OD1-NH2 2.88Å; D471-R475 IonicContact OD2-CZ 2.8Å; D471-R475 IonicContact OD2-NE 3.4Å; D471-R475 PolarHBondContact OD2-NE 3.13Å; D471-R475 IonicContact OD2-NH2 3.55Å; D471-H498 IonicContact OD2-CE1 3.85Å; D471-H498 PolarHBondContact OD2-CE1 3.28Å; D471-H498 IonicContact OD2-NE2 2.69Å; D471-H498 PolarHBondContact OD2-NE2 3.14Å
472	I	98.7	Very high	96.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62.5	-44.2	179.9	-163.7	167.9	0	0	0	112	M432 P468 A469 R475 L476 L485 H498 F500 F501	M432-I472 HydrophobicContact CE-CD1 4.34Å; M432-I472 HydrophobicContact CE-CG2 4.28Å; P468-I472 PolarHBondContact O-N 3.24Å; A469-I472 WeakPolarHBondContact O-CG2 2.86Å; I472-R475 PolarHBondContact O-N 3.09Å; I472-L476 HydrophobicContact CD1-CD1 4.36Å; I472-L476 HydrophobicContact CG1-CD1 3.85Å; I472-L476 HydrophobicContact CG1-CG 4.26Å; I472-L476 WeakPolarHBondContact O-CB 3.43Å; I472-L476 WeakPolarHBondContact O-CG 3.4Å; I472-L476 PolarHBondContact O-N 3.41Å; I472-L485 HydrophobicContact CG1-CD2 4.11Å; I472-H498 VanDerWaalsContact CA-CE1 3.41Å; I472-H498 WeakPolarHBondContact CA-CE1 3.07Å; I472-H498 WeakPolarHBondContact CB-CE1 3.33Å; I472-H498 WeakPolarHBondContact CB-ND1 3.38Å; I472-H498 HydrophobicContact CD1-CB 4.15Å; I472-H498 PolarHBondContact N-CE1 3.13Å; I472-H498 VanDerWaalsContact N-CE1 3.34Å; I472-F500 HydrophobicContact CB-CB 3.97Å; I472-F500 HydrophobicContact CB-CG 4.36Å; I472-F500 HydrophobicContact CD1-CB 3.92Å; I472-F500 HydrophobicContact CD1-CD1 3.95Å; I472-F500 HydrophobicContact CD1-CG 4.26Å; I472-F500 HydrophobicContact CG2-CB 3.94Å; I472-F500 HydrophobicContact CG2-CD1 4.05Å; I472-F500 HydrophobicContact CG2-CD2 4.16Å; I472-F500 HydrophobicContact CG2-CG 3.78Å; I472-F501 HydrophobicContact CD1-CD2 3.78Å; I472-F501 HydrophobicContact CD1-CE2 3.34Å; I472-F501 HydrophobicContact CD1-CZ 4.01Å
473	L	98.7	Very high	96.6	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-65	-42.9	179.5	-67.7	175.3	0	0	0	110.9	M432 Y433 M436 F461 L465 A469 Q470 D471 R475 L476 L477	M432-L473 HydrophobicContact CB-CD2 3.77Å; Y433-L473 HydrophobicContact CD2-CD1 4.05Å; M436-L473 HydrophobicContact CE-CD1 3.69Å; M436-L473 HydrophobicContact CE-CD2 3.7Å; M436-L473 HydrophobicContact CE-CG 3.78Å; F461-L473 HydrophobicContact CD1-CB 4.44Å; F461-L473 HydrophobicContact CD1-CD1 4.26Å; F461-L473 HydrophobicContact CE1-CB 3.62Å; F461-L473 HydrophobicContact CE1-CD1 4.16Å; F461-L473 HydrophobicContact CZ-CB 4.3Å; L465-L473 HydrophobicContact CD1-CD1 4.05Å; A469-L473 WeakPolarHBondContact O-CB 3.38Å; A469-L473 WeakPolarHBondContact O-CG 3.21Å; A469-L473 PolarHBondContact O-N 3.19Å; Q470-L473 PolarHBondContact O-N 2.88Å; D471-L473 PolarHBondContact O-N 3.26Å; L473-R475 PolarHBondContact O-N 2.94Å; L473-L476 PolarHBondContact O-N 3.16Å; L473-L477 VanDerWaalsContact O-CB 3.27Å; L473-L477 WeakPolarHBondContact O-CB 3.47Å; L473-L477 WeakPolarHBondContact O-CG 3.24Å; L473-L477 PolarHBondContact O-N 3.45Å
474	S	98	Very high	96.8	Very high	48 Å²	48	49.2 Å²	49.2	34%	0.336	26%	0.255	S	S	.	.	H	α-helix	trans	-60.7	-34.6	178.1	75.9	0	0	0	0	112.4	Q470 D471 I478	Q470-S474 VanDerWaalsContact O-CB 3.24Å; Q470-S474 WeakPolarHBondContact O-CB 3.41Å; Q470-S474 PolarHBondContact O-N 2.98Å; Q470-S474 PolarHBondContact O-OG 3.48Å; D471-S474 PolarHBondContact O-N 3.45Å; D471-S474 PolarHBondContact O-OG 3.35Å; S474-I478 VanDerWaalsContact O-CG1 3.25Å; S474-I478 WeakPolarHBondContact O-CG1 3.37Å
475	R	98.4	Very high	96.9	Very high	116 Å²	116	43.9 Å²	43.9	44%	0.438	24%	0.237	S	C	.	.	H	α-helix	trans	-83.6	-33.9	-179.4	-64.7	173.3	-179.3	-108	2.8	113.7	D471 I472 L473 L485	D471-R475 VanDerWaalsContact O-CG 3.31Å; D471-R475 WeakPolarHBondContact O-CG 3.48Å; D471-R475 PolarHBondContact O-N 2.88Å; D471-R475 IonicContact OD1-CZ 3.67Å; D471-R475 IonicContact OD1-NE 3.75Å; D471-R475 PolarHBondContact OD1-NE 3.44Å; D471-R475 IonicContact OD1-NH2 3.67Å; D471-R475 PolarHBondContact OD1-NH2 2.88Å; D471-R475 IonicContact OD2-CZ 2.8Å; D471-R475 IonicContact OD2-NE 3.4Å; D471-R475 PolarHBondContact OD2-NE 3.13Å; D471-R475 IonicContact OD2-NH2 3.55Å; I472-R475 PolarHBondContact O-N 3.09Å; L473-R475 PolarHBondContact O-N 2.94Å; R475-L485 HydrophobicContact CB-CB 3.88Å; R475-L485 HydrophobicContact CB-CD2 4.39Å; R475-L485 PolarHBondContact O-N 2.91Å
476	L	98.7	Very high	96.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-71.1	-31.7	172.5	-71.8	171	0	0	0	111.9	W425 L428 M432 I472 L473 R484 L485 V495	W425-L476 HydrophobicContact CB-CD2 4.1Å; L428-L476 HydrophobicContact CD2-CD1 4.28Å; L428-L476 HydrophobicContact CD2-CD2 4.48Å; L428-L476 HydrophobicContact CG-CD1 4.24Å; M432-L476 HydrophobicContact SD-CD1 4.23Å; I472-L476 HydrophobicContact CD1-CD1 4.36Å; I472-L476 HydrophobicContact CG1-CD1 3.85Å; I472-L476 HydrophobicContact CG1-CG 4.26Å; I472-L476 WeakPolarHBondContact O-CB 3.43Å; I472-L476 WeakPolarHBondContact O-CG 3.4Å; I472-L476 PolarHBondContact O-N 3.41Å; L473-L476 PolarHBondContact O-N 3.16Å; L476-R484 WeakPolarHBondContact O-CD 3.32Å; L476-R484 VanDerWaalsContact O-CG 3.24Å; L476-R484 WeakPolarHBondContact O-CG 3.38Å; L476-L485 HydrophobicContact CD2-CB 4.15Å; L476-L485 HydrophobicContact CD2-CD2 4.12Å; L476-L485 HydrophobicContact CD2-CG 4.41Å; L476-L485 HydrophobicContact CG-CD2 4.22Å; L476-V495 HydrophobicContact CD2-CG2 4.44Å
477	L	98.5	Very high	96.5	Very high	11 Å²	11	42.5 Å²	42.5	6%	0.058	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	23.5	-179.1	-60.7	172.8	0	0	0	113.1	W426 V430 Y433 P441 V459 L473 K479	W426-L477 HydrophobicContact CD2-CD2 3.98Å; W426-L477 HydrophobicContact CE3-CD2 4.07Å; W426-L477 HydrophobicContact CH2-CD2 4.38Å; W426-L477 HydrophobicContact CZ2-CD2 4.28Å; W426-L477 HydrophobicContact CZ3-CB 4.23Å; W426-L477 HydrophobicContact CZ3-CD2 4.28Å; W426-L477 VanDerWaalsContact CZ3-O 3.3Å; W426-L477 WeakPolarHBondContact CZ3-O 3.18Å; V430-L477 HydrophobicContact CG2-CD2 3.86Å; Y433-L477 HydrophobicContact CD2-CD1 4.41Å; P441-L477 HydrophobicContact CB-CD1 4.35Å; V459-L477 HydrophobicContact CG1-CD1 4.24Å; V459-L477 HydrophobicContact CG2-CB 4.04Å; V459-L477 HydrophobicContact CG2-CD1 3.86Å; L473-L477 VanDerWaalsContact O-CB 3.27Å; L473-L477 WeakPolarHBondContact O-CB 3.47Å; L473-L477 WeakPolarHBondContact O-CG 3.24Å; L473-L477 PolarHBondContact O-N 3.45Å; L477-K479 PolarHBondContact O-N 3.4Å
478	I	97.6	Very high	96.1	Very high	56 Å²	56	36.4 Å²	36.4	29%	0.287	21%	0.207	S	C	.	.			trans	-67.8	131.1	168.2	-67.4	176.5	0	0	0	108.8	S474 D480 S483 R484	S474-I478 VanDerWaalsContact O-CG1 3.25Å; S474-I478 WeakPolarHBondContact O-CG1 3.37Å; I478-D480 HydrophobicContact CG2-CB 4.37Å; I478-D480 WeakPolarHBondContact CG2-O 3.49Å; I478-S483 WeakPolarHBondContact CD1-O 3.49Å; I478-R484 HydrophobicContact CB-CB 4.3Å; I478-R484 PolarHBondContact O-NE 2.84Å; I478-R484 PolarHBondContact O-NH2 3.41Å
479	K	94.7	Very high	95.7	Very high	52 Å²	52	40.4 Å²	40.4	23%	0.226	22%	0.224	C	C	.	.	S	Bend	trans	-69.2	-38.4	-176	-56.5	-170.5	-171.1	-68.5	0	113.2	P411 I454 L455 E457 L477 P481 R484	P411-K479 HydrophobicContact CB-CB 4.38Å; P411-K479 HydrophobicContact CG-CB 4.07Å; P411-K479 HydrophobicContact CG-CG 4.21Å; I454-K479 PolarHBondContact O-NZ 2.91Å; L455-K479 WeakPolarHBondContact O-CD 3.44Å; L455-K479 WeakPolarHBondContact O-CE 3.35Å; E457-K479 VanDerWaalsContact O-CE 3.3Å; E457-K479 WeakPolarHBondContact O-CE 3.21Å; E457-K479 PolarHBondContact O-NZ 3.14Å; L477-K479 PolarHBondContact O-N 3.4Å; K479-P481 WeakPolarHBondContact O-CD 3.43Å; K479-R484 PolarHBondContact O-NH2 3.11Å; K479-R484 VanDerWaalsContact O-NH2 3.11Å
480	D	91.8	Very high	95.3	Very high	69 Å²	69	45.8 Å²	45.8	37%	0.369	25%	0.25	S	C	.	.	S	Bend	trans	-73.7	115.6	173	168.7	21.4	0	0	0	110.5	I478 T482 S483 R484	I478-D480 HydrophobicContact CG2-CB 4.37Å; I478-D480 WeakPolarHBondContact CG2-O 3.49Å; D480-T482 VanDerWaalsContact CG-OG1 3.27Å; D480-T482 PolarHBondContact O-N 2.75Å; D480-T482 PolarHBondContact OD1-N 2.99Å; D480-T482 PolarHBondContact OD1-OG1 3.02Å; D480-T482 PolarHBondContact OD2-OG1 3.02Å; D480-S483 PolarHBondContact O-N 2.77Å; D480-S483 WeakPolarHBondContact OD2-CB 3.37Å; D480-S483 PolarHBondContact OD2-OG 3.33Å; D480-R484 PolarHBondContact O-N 3.35Å; D480-R484 VanDerWaalsContact O-N 3.13Å
481	P	91.4	Very high	95.1	Very high	35 Å²	35	43.3 Å²	43.3	23%	0.227	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-26.2	-178	24.9	-34.3	0	0	0	113.8	E412 S422 K479 S483 G487	E412-P481 HydrophobicContact CB-CG 4.37Å; E412-P481 HydrophobicContact CG-CG 4.42Å; S422-P481 VanDerWaalsContact OG-CB 3.23Å; S422-P481 WeakPolarHBondContact OG-CB 3.32Å; K479-P481 WeakPolarHBondContact O-CD 3.43Å; P481-S483 VanDerWaalsContact C-N 3.34Å; P481-G487 WeakPolarHBondContact O-CA 3.28Å
482	T	90.1	Very high	95	Very high	110 Å²	110	41.5 Å²	41.5	68%	0.675	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-23.2	-179	66.1	0	0	0	0	113	D480	D480-T482 VanDerWaalsContact CG-OG1 3.27Å; D480-T482 PolarHBondContact O-N 2.75Å; D480-T482 PolarHBondContact OD1-N 2.99Å; D480-T482 PolarHBondContact OD1-OG1 3.02Å; D480-T482 PolarHBondContact OD2-OG1 3.02Å
483	S	95.1	Very high	94.8	Very high	73 Å²	73	42.8 Å²	42.8	51%	0.51	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-9.5	176	-60.7	0	0	0	0	112.8	I478 D480 P481	I478-S483 WeakPolarHBondContact CD1-O 3.49Å; D480-S483 PolarHBondContact O-N 2.77Å; D480-S483 WeakPolarHBondContact OD2-CB 3.37Å; D480-S483 PolarHBondContact OD2-OG 3.33Å; P481-S483 VanDerWaalsContact C-N 3.34Å
484	R	97.4	Very high	94.7	Very high	3 Å²	3	45 Å²	45	1%	0.011	25%	0.246	C	C	.	.	S	Bend	trans	-70.3	142.8	-179.9	-168.9	-179.7	-62	144.2	7	111.1	E412 S422 L476 I478 K479 D480 G486 G487	E412-R484 IonicContact OE1-CZ 3.57Å; E412-R484 IonicContact OE1-NH1 2.67Å; E412-R484 PolarHBondContact OE1-NH1 3.25Å; E412-R484 IonicContact OE1-NH2 3.14Å; E412-R484 IonicContact OE2-CZ 3.9Å; E412-R484 IonicContact OE2-NH1 2.97Å; E412-R484 PolarHBondContact OE2-NH1 3.22Å; E412-R484 IonicContact OE2-NH2 2.75Å; E412-R484 PolarHBondContact OE2-NH2 3.44Å; S422-R484 PolarHBondContact O-NH1 3.42Å; L476-R484 WeakPolarHBondContact O-CD 3.32Å; L476-R484 VanDerWaalsContact O-CG 3.24Å; L476-R484 WeakPolarHBondContact O-CG 3.38Å; I478-R484 HydrophobicContact CB-CB 4.3Å; I478-R484 PolarHBondContact O-NE 2.84Å; I478-R484 PolarHBondContact O-NH2 3.41Å; K479-R484 PolarHBondContact O-NH2 3.11Å; K479-R484 VanDerWaalsContact O-NH2 3.11Å; D480-R484 PolarHBondContact O-N 3.35Å; D480-R484 VanDerWaalsContact O-N 3.13Å; R484-G486 PolarHBondContact O-N 2.66Å; R484-G487 WeakPolarHBondContact O-CA 3.35Å; R484-G487 PolarHBondContact O-N 2.88Å
485	L	98.2	Very high	94.7	Very high	22 Å²	22	42.8 Å²	42.8	12%	0.115	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	125.4	174.2	-174.8	67.9	0	0	0	110.7	I472 R475 L476 G487 E494 V495 H498	I472-L485 HydrophobicContact CG1-CD2 4.11Å; R475-L485 HydrophobicContact CB-CB 3.88Å; R475-L485 HydrophobicContact CB-CD2 4.39Å; R475-L485 PolarHBondContact O-N 2.91Å; L476-L485 HydrophobicContact CD2-CB 4.15Å; L476-L485 HydrophobicContact CD2-CD2 4.12Å; L476-L485 HydrophobicContact CD2-CG 4.41Å; L476-L485 HydrophobicContact CG-CD2 4.22Å; L485-G487 VanDerWaalsContact C-N 3.28Å; L485-E494 HydrophobicContact CD1-CB 3.99Å; L485-V495 HydrophobicContact CD2-CG2 4.49Å; L485-V495 HydrophobicContact CG-CG2 4.12Å; L485-H498 HydrophobicContact CD2-CB 4.26Å
486	G	96.6	Very high	94.7	Very high	2 Å²	2	37.4 Å²	37.4	2%	0.021	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	0.4	-174.4	0	0	0	0	0	114.2	W425 R484 G488 D491 E494	W425-G486 VanDerWaalsContact CD1-C 3.41Å; W425-G486 PolarHBondContact NE1-O 2.71Å; R484-G486 PolarHBondContact O-N 2.66Å; G486-G488 VanDerWaalsContact C-N 3.31Å; G486-D491 WeakPolarHBondContact CA-O 3.39Å; G486-E494 WeakPolarHBondContact CA-OE2 3.26Å; G486-E494 PolarHBondContact N-OE2 3.38Å
487	G	92	Very high	94.6	Very high	17 Å²	17	39 Å²	39	18%	0.175	22%	0.223	C	C	.	.			trans	-76.4	-17.3	174.7	0	0	0	0	0	113.9	P481 R484 L485	P481-G487 WeakPolarHBondContact O-CA 3.28Å; R484-G487 WeakPolarHBondContact O-CA 3.35Å; R484-G487 PolarHBondContact O-N 2.88Å; L485-G487 VanDerWaalsContact C-N 3.28Å
488	G	89.3	Confident	94.6	Very high	16 Å²	16	39.1 Å²	39.1	17%	0.165	22%	0.224	C	C	.	.	S	Bend	trans	-80.7	-178.8	178.1	0	0	0	0	0	114.1	Y395 G486 Q490 D491 E494	Y395-G488 VanDerWaalsContact CE2-C 3.41Å; Y395-G488 WeakPolarHBondContact CE2-O 3.02Å; G486-G488 VanDerWaalsContact C-N 3.31Å; G488-Q490 PolarHBondContact O-N 3.4Å; G488-D491 PolarHBondContact O-N 2.94Å; G488-D491 VanDerWaalsContact O-N 3.09Å; G488-E494 VanDerWaalsContact CA-OE1 3.3Å; G488-E494 WeakPolarHBondContact CA-OE1 3.25Å
489	I	88.8	Confident	94.6	Very high	121 Å²	121	40.9 Å²	40.9	62%	0.621	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-23.4	-178.5	-165.4	165.3	0	0	0	113.2	Y395 D491	Y395-I489 HydrophobicContact CD1-CB 4.26Å; Y395-I489 HydrophobicContact CD1-CD1 4.19Å; Y395-I489 HydrophobicContact CD1-CG1 3.89Å; Y395-I489 HydrophobicContact CE1-CB 3.9Å; Y395-I489 HydrophobicContact CE1-CD1 4.18Å; Y395-I489 HydrophobicContact CE1-CG1 3.98Å; Y395-I489 HydrophobicContact CE2-CB 4.22Å; Y395-I489 HydrophobicContact CG-CG1 4.24Å; I489-D491 VanDerWaalsContact C-N 3.3Å
490	Q	89.9	Confident	94.8	Very high	113 Å²	113	38.6 Å²	38.6	53%	0.528	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-16.4	178.2	-75.7	-173.2	-9	0	0	112.4	G488 V492 L493 E494	G488-Q490 PolarHBondContact O-N 3.4Å; Q490-V492 PolarHBondContact O-N 3.3Å; Q490-L493 HydrophobicContact CB-CB 4.28Å; Q490-L493 WeakPolarHBondContact O-CB 3.4Å; Q490-L493 PolarHBondContact O-N 3.37Å; Q490-E494 HydrophobicContact CB-CG 3.55Å
491	D	94.3	Very high	95.1	Very high	6 Å²	6	35.3 Å²	35.3	3%	0.032	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	-123.3	167.7	-158.5	-53.6	0	0	0	110.5	H359 R421 W425 G486 G488 I489 L493 E494	H359-D491 IonicContact CE1-OD1 2.8Å; H359-D491 IonicContact CG-OD1 3.04Å; H359-D491 IonicContact CG-OD2 2.71Å; H359-D491 IonicContact ND1-OD1 2.69Å; H359-D491 PolarHBondContact ND1-OD1 3.4Å; H359-D491 IonicContact ND1-OD2 3.18Å; H359-D491 PolarHBondContact ND1-OD2 3.15Å; R421-D491 WeakPolarHBondContact CD-OD2 3.45Å; R421-D491 IonicContact CZ-OD2 3.28Å; R421-D491 IonicContact NE-OD2 2.7Å; R421-D491 IonicContact NH1-OD2 3.39Å; R421-D491 PolarHBondContact NH1-OD2 3.36Å; W425-D491 WeakPolarHBondContact CZ2-OD1 3.43Å; W425-D491 PolarHBondContact NE1-OD1 3.19Å; G486-D491 WeakPolarHBondContact CA-O 3.39Å; G488-D491 PolarHBondContact O-N 2.94Å; G488-D491 VanDerWaalsContact O-N 3.09Å; I489-D491 VanDerWaalsContact C-N 3.3Å; D491-L493 PolarHBondContact O-N 3.36Å; D491-E494 PolarHBondContact O-N 2.85Å; D491-E494 VanDerWaalsContact O-N 3.08Å
492	V	96.3	Very high	95.3	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.012	22%	0.223	C	C	.	.	H	α-helix	trans	-49.5	-32.3	176.3	66.4	0	0	0	0	115	L93 T352 W425 Q490 E494 V495 M496	L93-V492 HydrophobicContact CB-CG1 4.02Å; L93-V492 HydrophobicContact CD2-CG1 4.47Å; T352-V492 HydrophobicContact CG2-CG2 3.78Å; W425-V492 HydrophobicContact CH2-CB 3.88Å; W425-V492 HydrophobicContact CH2-CG2 3.88Å; W425-V492 HydrophobicContact CZ2-CB 3.83Å; W425-V492 HydrophobicContact CZ2-CG2 4.36Å; Q490-V492 PolarHBondContact O-N 3.3Å; V492-E494 VanDerWaalsContact C-N 3.28Å; V492-E494 PolarHBondContact O-N 3.37Å; V492-V495 PolarHBondContact O-N 3.12Å; V492-M496 HydrophobicContact CG2-CG 3.99Å; V492-M496 HydrophobicContact CG2-SD 3.79Å; V492-M496 VanDerWaalsContact O-CG 3.28Å; V492-M496 WeakPolarHBondContact O-CG 3.34Å; V492-M496 PolarHBondContact O-N 2.82Å
493	L	95.8	Very high	95.6	Very high	26 Å²	26	36.4 Å²	36.4	14%	0.136	22%	0.223	C	C	.	.	H	α-helix	trans	-66.2	-32	-178	-62.3	179.4	0	0	0	112.2	I85 L90 Q94 Q490 D491 M496 A497	I85-L493 HydrophobicContact CD1-CD2 3.78Å; L90-L493 HydrophobicContact CD1-CD2 4.34Å; Q94-L493 HydrophobicContact CG-CD1 3.92Å; Q490-L493 HydrophobicContact CB-CB 4.28Å; Q490-L493 WeakPolarHBondContact O-CB 3.4Å; Q490-L493 PolarHBondContact O-N 3.37Å; D491-L493 PolarHBondContact O-N 3.36Å; L493-M496 HydrophobicContact CD2-SD 4.26Å; L493-A497 VanDerWaalsContact O-CB 3.28Å; L493-A497 WeakPolarHBondContact O-CB 3.35Å; L493-A497 PolarHBondContact O-N 2.71Å
494	E	96.1	Very high	95.6	Very high	48 Å²	48	34 Å²	34	22%	0.224	21%	0.205	C	C	.	.	H	α-helix	trans	-65.8	-43.8	175.6	-59	178.2	-173.5	0	0	110.5	L485 G486 G488 Q490 D491 V492 A497 H498	L485-E494 HydrophobicContact CD1-CB 3.99Å; G486-E494 WeakPolarHBondContact CA-OE2 3.26Å; G486-E494 PolarHBondContact N-OE2 3.38Å; G488-E494 VanDerWaalsContact CA-OE1 3.3Å; G488-E494 WeakPolarHBondContact CA-OE1 3.25Å; Q490-E494 HydrophobicContact CB-CG 3.55Å; D491-E494 PolarHBondContact O-N 2.85Å; D491-E494 VanDerWaalsContact O-N 3.08Å; V492-E494 VanDerWaalsContact C-N 3.28Å; V492-E494 PolarHBondContact O-N 3.37Å; E494-A497 PolarHBondContact O-N 3.06Å; E494-H498 PolarHBondContact O-N 3.35Å
495	V	98.1	Very high	95.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.5	-45.4	178.8	-175.5	0	0	0	0	110.2	T352 W425 L428 L476 L485 V492 A497 H498 F501	T352-V495 HydrophobicContact CG2-CB 4.12Å; T352-V495 HydrophobicContact CG2-CG1 3.76Å; W425-V495 HydrophobicContact CD2-CG2 3.84Å; W425-V495 HydrophobicContact CE3-CG1 4.45Å; W425-V495 HydrophobicContact CE3-CG2 3.73Å; W425-V495 HydrophobicContact CG-CG2 4.46Å; W425-V495 HydrophobicContact CH2-CG2 4.26Å; W425-V495 HydrophobicContact CZ2-CG2 4.33Å; W425-V495 HydrophobicContact CZ3-CB 4.34Å; W425-V495 HydrophobicContact CZ3-CG1 4.27Å; W425-V495 HydrophobicContact CZ3-CG2 3.94Å; L428-V495 HydrophobicContact CD2-CG1 4.1Å; L476-V495 HydrophobicContact CD2-CG2 4.44Å; L485-V495 HydrophobicContact CD2-CG2 4.49Å; L485-V495 HydrophobicContact CG-CG2 4.12Å; V492-V495 PolarHBondContact O-N 3.12Å; V495-A497 VanDerWaalsContact C-N 3.29Å; V495-A497 PolarHBondContact O-N 2.99Å; V495-H498 VanDerWaalsContact O-CB 3.25Å; V495-H498 WeakPolarHBondContact O-CB 3.38Å; V495-H498 PolarHBondContact O-N 3.45Å; V495-F501 HydrophobicContact CG1-CE2 4.05Å; V495-F501 WeakPolarHBondContact O-CD2 3.27Å
496	M	97.7	Very high	95.5	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.015	22%	0.218	C	C	.	.	H	α-helix	trans	-64.4	-31.7	179.6	-69.8	170.5	78.6	0	0	113.7	P83 I85 L89 L93 T352 L353 V492 L493 H498 W506	P83-M496 HydrophobicContact CB-CB 4.45Å; P83-M496 HydrophobicContact CG-CB 3.96Å; I85-M496 HydrophobicContact CD1-CE 4.2Å; I85-M496 HydrophobicContact CG2-CE 3.75Å; L89-M496 HydrophobicContact CD2-CE 4.45Å; L93-M496 HydrophobicContact CD1-CE 3.72Å; L93-M496 HydrophobicContact CD1-SD 3.56Å; L93-M496 VanDerWaalsContact CD1-SD 3.56Å; T352-M496 HydrophobicContact CG2-CG 3.97Å; L353-M496 HydrophobicContact CD2-CE 4.13Å; V492-M496 HydrophobicContact CG2-CG 3.99Å; V492-M496 HydrophobicContact CG2-SD 3.79Å; V492-M496 VanDerWaalsContact O-CG 3.28Å; V492-M496 WeakPolarHBondContact O-CG 3.34Å; V492-M496 PolarHBondContact O-N 2.82Å; L493-M496 HydrophobicContact CD2-SD 4.26Å; M496-H498 PolarHBondContact O-N 3.23Å; M496-W506 HydrophobicContact CB-CD2 4.42Å; M496-W506 HydrophobicContact CB-CH2 4.15Å; M496-W506 HydrophobicContact CB-CZ2 3.6Å; M496-W506 HydrophobicContact CE-CB 3.79Å; M496-W506 HydrophobicContact CE-CD2 3.38Å; M496-W506 HydrophobicContact CE-CE3 3.76Å; M496-W506 HydrophobicContact CE-CG 3.39Å; M496-W506 HydrophobicContact CE-CZ3 4.49Å; M496-W506 HydrophobicContact CG-CD2 4.1Å; M496-W506 HydrophobicContact CG-CE3 4.15Å; M496-W506 HydrophobicContact CG-CH2 3.73Å; M496-W506 HydrophobicContact CG-CZ2 3.68Å; M496-W506 HydrophobicContact CG-CZ3 3.96Å; M496-W506 WeakPolarHBondContact O-CZ2 3.22Å
497	A	96.7	Very high	95.4	Very high	34 Å²	34	37.4 Å²	37.4	28%	0.281	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-12.9	178.9	0	0	0	0	0	113.4	L81 L493 E494 V495	L81-A497 WeakPolarHBondContact O-CB 3.19Å; L493-A497 VanDerWaalsContact O-CB 3.28Å; L493-A497 WeakPolarHBondContact O-CB 3.35Å; L493-A497 PolarHBondContact O-N 2.71Å; E494-A497 PolarHBondContact O-N 3.06Å; V495-A497 VanDerWaalsContact C-N 3.29Å; V495-A497 PolarHBondContact O-N 2.99Å
498	H	98.3	Very high	95.6	Very high	14 Å²	14	42 Å²	42	7%	0.065	24%	0.235	C	C	.	.	S	Bend	trans	-63.3	141.2	-174	-166.1	-83.4	0	0	0	112.5	D471 I472 L485 E494 V495 M496 F500 F501 A502	D471-H498 IonicContact OD2-CE1 3.85Å; D471-H498 PolarHBondContact OD2-CE1 3.28Å; D471-H498 IonicContact OD2-NE2 2.69Å; D471-H498 PolarHBondContact OD2-NE2 3.14Å; I472-H498 VanDerWaalsContact CA-CE1 3.41Å; I472-H498 WeakPolarHBondContact CA-CE1 3.07Å; I472-H498 WeakPolarHBondContact CB-CE1 3.33Å; I472-H498 WeakPolarHBondContact CB-ND1 3.38Å; I472-H498 HydrophobicContact CD1-CB 4.15Å; I472-H498 PolarHBondContact N-CE1 3.13Å; I472-H498 VanDerWaalsContact N-CE1 3.34Å; L485-H498 HydrophobicContact CD2-CB 4.26Å; E494-H498 PolarHBondContact O-N 3.35Å; V495-H498 VanDerWaalsContact O-CB 3.25Å; V495-H498 WeakPolarHBondContact O-CB 3.38Å; V495-H498 PolarHBondContact O-N 3.45Å; M496-H498 PolarHBondContact O-N 3.23Å; H498-F500 PolarHBondContact ND1-N 2.83Å; H498-F500 PolarHBondContact O-N 3.18Å; H498-F500 VanDerWaalsContact O-N 3.08Å; H498-F501 PolarHBondContact O-N 2.8Å; H498-A502 PolarHBondContact O-N 2.7Å
499	L	97.5	Very high	96	Very high	92 Å²	92	41.4 Å²	41.4	48%	0.482	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-55.7	-33.3	-174.6	-176.8	62.6	0	0	0	113.6	P468 F501 A502	P468-L499 HydrophobicContact CG-CD2 4.3Å; L499-F501 PolarHBondContact O-N 3.01Å; L499-A502 HydrophobicContact CD1-CB 4.11Å; L499-A502 WeakPolarHBondContact O-CB 3.48Å; L499-A502 PolarHBondContact O-N 3.12Å
500	F	98.6	Very high	96.3	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.018	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-55.1	-35.5	174.8	-175.4	-102.8	0	0	0	112.9	E341 K345 M432 M436 P468 A469 I472 H498	E341-F500 HydrophobicContact CB-CE2 4.46Å; K345-F500 HydrophobicContact CB-CD1 4.48Å; K345-F500 HydrophobicContact CB-CE1 3.6Å; K345-F500 HydrophobicContact CB-CZ 3.76Å; K345-F500 WeakPolarHBondContact CD-O 3.34Å; K345-F500 WeakPolarHBondContact CE-O 3.25Å; K345-F500 HydrophobicContact CG-CD1 4.18Å; K345-F500 HydrophobicContact CG-CE1 3.77Å; K345-F500 HydrophobicContact CG-CZ 4.28Å; K345-F500 PolarHBondContact NZ-O 3.03Å; M432-F500 HydrophobicContact CE-CD1 3.87Å; M432-F500 HydrophobicContact CE-CE1 3.38Å; M432-F500 HydrophobicContact CE-CZ 4.14Å; M436-F500 HydrophobicContact CE-CZ 4.38Å; M436-F500 HydrophobicContact SD-CE2 4.23Å; M436-F500 HydrophobicContact SD-CZ 3.98Å; P468-F500 HydrophobicContact CB-CB 4.29Å; P468-F500 HydrophobicContact CB-CD2 4.23Å; A469-F500 HydrophobicContact CB-CD2 4.07Å; A469-F500 HydrophobicContact CB-CE2 3.77Å; I472-F500 HydrophobicContact CB-CB 3.97Å; I472-F500 HydrophobicContact CB-CG 4.36Å; I472-F500 HydrophobicContact CD1-CB 3.92Å; I472-F500 HydrophobicContact CD1-CD1 3.95Å; I472-F500 HydrophobicContact CD1-CG 4.26Å; I472-F500 HydrophobicContact CG2-CB 3.94Å; I472-F500 HydrophobicContact CG2-CD1 4.05Å; I472-F500 HydrophobicContact CG2-CD2 4.16Å; I472-F500 HydrophobicContact CG2-CG 3.78Å; H498-F500 PolarHBondContact ND1-N 2.83Å; H498-F500 PolarHBondContact O-N 3.18Å; H498-F500 VanDerWaalsContact O-N 3.08Å
501	F	98.3	Very high	96.5	Very high	1 Å²	1	37.6 Å²	37.6	0%	0.004	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-96.7	9.4	177.9	-62.9	-58.5	0	0	0	114	K345 A349 M432 I472 V495 H498 L499 S503 V504 W506	K345-F501 HydrophobicContact CG-CD1 3.69Å; K345-F501 HydrophobicContact CG-CE1 3.94Å; K345-F501 WeakPolarHBondContact O-CE1 3.31Å; A349-F501 HydrophobicContact CB-CD1 4.03Å; A349-F501 HydrophobicContact CB-CE1 3.88Å; M432-F501 HydrophobicContact CE-CE1 4.49Å; M432-F501 HydrophobicContact CE-CZ 3.96Å; M432-F501 HydrophobicContact SD-CZ 4.15Å; I472-F501 HydrophobicContact CD1-CD2 3.78Å; I472-F501 HydrophobicContact CD1-CE2 3.34Å; I472-F501 HydrophobicContact CD1-CZ 4.01Å; V495-F501 HydrophobicContact CG1-CE2 4.05Å; V495-F501 WeakPolarHBondContact O-CD2 3.27Å; H498-F501 PolarHBondContact O-N 2.8Å; L499-F501 PolarHBondContact O-N 3.01Å; F501-S503 PolarHBondContact O-N 3.4Å; F501-V504 HydrophobicContact CB-CB 4.47Å; F501-V504 HydrophobicContact CB-CG2 4.09Å; F501-V504 HydrophobicContact CD1-CG2 3.97Å; F501-V504 VanDerWaalsContact O-CB 3.32Å; F501-V504 WeakPolarHBondContact O-CB 2.94Å; F501-V504 PolarHBondContact O-N 3.02Å; F501-W506 HydrophobicContact CB-CH2 4.18Å; F501-W506 HydrophobicContact CB-CZ2 3.6Å; F501-W506 HydrophobicContact CD1-CH2 4.33Å; F501-W506 HydrophobicContact CD2-CH2 4.14Å; F501-W506 HydrophobicContact CD2-CZ2 4.22Å; F501-W506 AromaticContact CG-CH2 3.99Å; F501-W506 HydrophobicContact CG-CH2 3.99Å; F501-W506 AromaticContact CG-CZ2 3.92Å; F501-W506 HydrophobicContact CG-CZ2 3.92Å
502	A	96	Very high	96.6	Very high	73 Å²	73	40.3 Å²	40.3	60%	0.603	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-26.2	-176.1	0	0	0	0	0	114.3	H498 L499	H498-A502 PolarHBondContact O-N 2.7Å; L499-A502 HydrophobicContact CD1-CB 4.11Å; L499-A502 WeakPolarHBondContact O-CB 3.48Å; L499-A502 PolarHBondContact O-N 3.12Å
503	S	95.3	Very high	96.5	Very high	94 Å²	94	44 Å²	44	66%	0.657	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-3.4	177.2	65.6	0	0	0	0	114.3	K345 F501	K345-S503 PolarHBondContact NZ-OG 2.77Å; F501-S503 PolarHBondContact O-N 3.4Å
504	V	97	Very high	96.6	Very high	24 Å²	24	44.8 Å²	44.8	15%	0.145	24%	0.237	C	C	.	.			trans	-84.4	121	-176	178.9	0	0	0	0	109.9	K345 A349 F501 W506 L509	K345-V504 HydrophobicContact CD-CG2 4.17Å; K345-V504 HydrophobicContact CG-CG2 4.22Å; A349-V504 HydrophobicContact CB-CG1 4.15Å; A349-V504 HydrophobicContact CB-CG2 4.25Å; F501-V504 HydrophobicContact CB-CB 4.47Å; F501-V504 HydrophobicContact CB-CG2 4.09Å; F501-V504 HydrophobicContact CD1-CG2 3.97Å; F501-V504 VanDerWaalsContact O-CB 3.32Å; F501-V504 WeakPolarHBondContact O-CB 2.94Å; F501-V504 PolarHBondContact O-N 3.02Å; V504-W506 HydrophobicContact CB-CZ2 4.36Å; V504-W506 HydrophobicContact CG1-CD2 3.82Å; V504-W506 HydrophobicContact CG1-CE3 4Å; V504-W506 HydrophobicContact CG1-CG 4.24Å; V504-W506 HydrophobicContact CG1-CH2 4.49Å; V504-W506 HydrophobicContact CG1-CZ2 4.31Å; V504-W506 HydrophobicContact CG1-CZ3 4.35Å; V504-W506 PolarHBondContact O-N 2.8Å; V504-L509 HydrophobicContact CG1-CD2 3.91Å
505	D	96.4	Very high	96.6	Very high	70 Å²	70	50.8 Å²	50.8	37%	0.374	27%	0.265	S	S	.	.			trans	-84.6	97.2	164.5	-176.4	-31.5	0	0	0	108.5	D507 R508 L509	D505-D507 VanDerWaalsContact C-N 3.3Å; D505-D507 PolarHBondContact O-N 3.05Å; D505-D507 PolarHBondContact OD1-N 2.91Å; D505-R508 HydrophobicContact CB-CB 4.07Å; D505-R508 HydrophobicContact CB-CG 4.33Å; D505-R508 VanDerWaalsContact CG-CG 3.5Å; D505-R508 PolarHBondContact O-N 3.09Å; D505-R508 PolarHBondContact OD1-N 2.9Å; D505-R508 WeakPolarHBondContact OD2-CD 3.29Å; D505-R508 WeakPolarHBondContact OD2-CG 3.49Å; D505-L509 WeakPolarHBondContact O-CB 3.24Å; D505-L509 PolarHBondContact O-N 3.01Å
506	W	96.5	Very high	96.5	Very high	7 Å²	7	51.6 Å²	51.6	3%	0.027	27%	0.27	C	S	.	.	H	α-helix	trans	-64	-33	-174.2	-61.3	100.2	0	0	0	113.3	I85 L89 A349 T352 L353 M496 F501 V504 L509 I510	I85-W506 HydrophobicContact CG2-CB 3.78Å; I85-W506 HydrophobicContact CG2-CG 4.1Å; L89-W506 HydrophobicContact CD2-CB 3.6Å; A349-W506 HydrophobicContact CB-CH2 3.97Å; A349-W506 HydrophobicContact CB-CZ3 3.79Å; T352-W506 HydrophobicContact CG2-CH2 4.14Å; T352-W506 HydrophobicContact CG2-CZ3 4.24Å; L353-W506 HydrophobicContact CD1-CE3 4.05Å; L353-W506 HydrophobicContact CD2-CE3 3.79Å; L353-W506 HydrophobicContact CD2-CZ3 4.33Å; L353-W506 HydrophobicContact CG-CE3 3.76Å; L353-W506 HydrophobicContact CG-CZ3 4.01Å; M496-W506 HydrophobicContact CB-CD2 4.42Å; M496-W506 HydrophobicContact CB-CH2 4.15Å; M496-W506 HydrophobicContact CB-CZ2 3.6Å; M496-W506 HydrophobicContact CE-CB 3.79Å; M496-W506 HydrophobicContact CE-CD2 3.38Å; M496-W506 HydrophobicContact CE-CE3 3.76Å; M496-W506 HydrophobicContact CE-CG 3.39Å; M496-W506 HydrophobicContact CE-CZ3 4.49Å; M496-W506 HydrophobicContact CG-CD2 4.1Å; M496-W506 HydrophobicContact CG-CE3 4.15Å; M496-W506 HydrophobicContact CG-CH2 3.73Å; M496-W506 HydrophobicContact CG-CZ2 3.68Å; M496-W506 HydrophobicContact CG-CZ3 3.96Å; M496-W506 WeakPolarHBondContact O-CZ2 3.22Å; F501-W506 HydrophobicContact CB-CH2 4.18Å; F501-W506 HydrophobicContact CB-CZ2 3.6Å; F501-W506 HydrophobicContact CD1-CH2 4.33Å; F501-W506 HydrophobicContact CD2-CH2 4.14Å; F501-W506 HydrophobicContact CD2-CZ2 4.22Å; F501-W506 AromaticContact CG-CH2 3.99Å; F501-W506 HydrophobicContact CG-CH2 3.99Å; F501-W506 AromaticContact CG-CZ2 3.92Å; F501-W506 HydrophobicContact CG-CZ2 3.92Å; V504-W506 HydrophobicContact CB-CZ2 4.36Å; V504-W506 HydrophobicContact CG1-CD2 3.82Å; V504-W506 HydrophobicContact CG1-CE3 4Å; V504-W506 HydrophobicContact CG1-CG 4.24Å; V504-W506 HydrophobicContact CG1-CH2 4.49Å; V504-W506 HydrophobicContact CG1-CZ2 4.31Å; V504-W506 HydrophobicContact CG1-CZ3 4.35Å; V504-W506 PolarHBondContact O-N 2.8Å; W506-L509 HydrophobicContact CE3-CD2 4.27Å; W506-L509 HydrophobicContact CZ3-CD2 4.43Å; W506-L509 PolarHBondContact O-N 2.85Å; W506-I510 WeakPolarHBondContact O-CG2 2.94Å; W506-I510 PolarHBondContact O-N 2.67Å
507	D	94.6	Very high	96.4	Very high	21 Å²	21	54.6 Å²	54.6	11%	0.112	29%	0.29	C	S	.	.	H	α-helix	trans	-69.8	-40.6	177.9	-82.1	-61.4	0	0	0	111.7	I85 S86 D505 I510 R511	I85-D507 WeakPolarHBondContact CA-OD2 3.46Å; S86-D507 WeakPolarHBondContact CB-OD1 3.5Å; S86-D507 PolarHBondContact N-OD1 3.28Å; S86-D507 PolarHBondContact N-OD2 3Å; S86-D507 PolarHBondContact OG-OD1 2.75Å; D505-D507 VanDerWaalsContact C-N 3.3Å; D505-D507 PolarHBondContact O-N 3.05Å; D505-D507 PolarHBondContact OD1-N 2.91Å; D507-I510 VanDerWaalsContact O-CG2 3.27Å; D507-I510 WeakPolarHBondContact O-CG2 3.32Å; D507-R511 WeakPolarHBondContact O-CG 3.05Å; D507-R511 PolarHBondContact O-N 3.18Å; D507-R511 PolarHBondContact O-NE 2.78Å; D507-R511 PolarHBondContact O-NH1 2.76Å; D507-R511 PolarHBondContact O-NH2 2.87Å
508	R	96.4	Very high	96.4	Very high	113 Å²	113	55.5 Å²	55.5	43%	0.426	29%	0.286	S	S	.	.	H	α-helix	trans	-69.6	-36.9	172	-72.7	-175.5	64.7	-162.9	-5.7	111.7	D505 R511 K512 D513 I514	D505-R508 HydrophobicContact CB-CB 4.07Å; D505-R508 HydrophobicContact CB-CG 4.33Å; D505-R508 VanDerWaalsContact CG-CG 3.5Å; D505-R508 PolarHBondContact O-N 3.09Å; D505-R508 PolarHBondContact OD1-N 2.9Å; D505-R508 WeakPolarHBondContact OD2-CD 3.29Å; D505-R508 WeakPolarHBondContact OD2-CG 3.49Å; R508-R511 PolarHBondContact O-N 2.86Å; R508-K512 PolarHBondContact O-N 2.81Å; R508-D513 HydrophobicContact CB-CB 4.01Å; R508-D513 HydrophobicContact CG-CB 4.29Å; R508-D513 PolarHBondContact NH2-O 2.94Å; R508-D513 WeakPolarHBondContact O-CB 2.91Å; R508-D513 PolarHBondContact O-N 3.27Å; R508-I514 HydrophobicContact CB-CD1 4.15Å; R508-I514 HydrophobicContact CB-CG1 3.81Å
509	L	97	Very high	96.3	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.016	31%	0.309	C	S	.	.	H	α-helix	trans	-61.8	-52.7	178.6	-170.6	64.8	0	0	0	110.5	F303 F346 A349 E350 L353 V504 D505 W506 R511 K512 I514	F303-L509 HydrophobicContact CE2-CG 4.4Å; F303-L509 HydrophobicContact CZ-CG 4.33Å; F303-L509 VanDerWaalsContact CZ-O 3.31Å; F303-L509 WeakPolarHBondContact CZ-O 3.46Å; F346-L509 HydrophobicContact CD2-CD1 4.27Å; F346-L509 HydrophobicContact CE2-CD1 3.83Å; F346-L509 HydrophobicContact CZ-CD1 4.36Å; A349-L509 HydrophobicContact CB-CD2 3.42Å; A349-L509 VanDerWaalsContact CB-CD2 3.42Å; E350-L509 HydrophobicContact CG-CD1 3.83Å; E350-L509 HydrophobicContact CG-CD2 4.2Å; E350-L509 HydrophobicContact CG-CG 4.13Å; L353-L509 HydrophobicContact CD1-CB 4.2Å; L353-L509 HydrophobicContact CD1-CD2 3.82Å; L353-L509 HydrophobicContact CD1-CG 4.03Å; V504-L509 HydrophobicContact CG1-CD2 3.91Å; D505-L509 WeakPolarHBondContact O-CB 3.24Å; D505-L509 PolarHBondContact O-N 3.01Å; W506-L509 HydrophobicContact CE3-CD2 4.27Å; W506-L509 HydrophobicContact CZ3-CD2 4.43Å; W506-L509 PolarHBondContact O-N 2.85Å; L509-R511 PolarHBondContact O-N 3.23Å; L509-K512 WeakPolarHBondContact O-CA 3.4Å; L509-K512 PolarHBondContact O-N 2.83Å; L509-I514 HydrophobicContact CB-CD1 3.92Å; L509-I514 HydrophobicContact CD1-CB 4.37Å; L509-I514 HydrophobicContact CD1-CD1 4.12Å
510	I	95.3	Very high	96.1	Very high	15 Å²	15	56.8 Å²	56.8	8%	0.077	29%	0.288	C	S	.	.	H	α-helix	trans	-61	-31.3	-179.4	-167.1	69.3	0	0	0	112.7	L89 M92 H301 P302 F303 L353 W506 D507 K512	L89-I510 HydrophobicContact CD1-CB 4.26Å; L89-I510 HydrophobicContact CD1-CG1 4.22Å; L89-I510 HydrophobicContact CD1-CG2 4.17Å; L89-I510 HydrophobicContact CD2-CG2 4.41Å; M92-I510 HydrophobicContact CE-CD1 4.49Å; H301-I510 WeakPolarHBondContact NE2-CD1 3.16Å; P302-I510 HydrophobicContact CG-CD1 3.52Å; P302-I510 HydrophobicContact CG-CG1 4.17Å; P302-I510 WeakPolarHBondContact CG-O 3.44Å; F303-I510 HydrophobicContact CE2-CD1 4.32Å; L353-I510 HydrophobicContact CB-CD1 4.42Å; L353-I510 HydrophobicContact CD1-CB 4.04Å; L353-I510 HydrophobicContact CD1-CD1 4.12Å; W506-I510 WeakPolarHBondContact O-CG2 2.94Å; W506-I510 PolarHBondContact O-N 2.67Å; D507-I510 VanDerWaalsContact O-CG2 3.27Å; D507-I510 WeakPolarHBondContact O-CG2 3.32Å; I510-K512 PolarHBondContact O-N 3.05Å
511	R	94.2	Very high	95.9	Very high	140 Å²	140	61.7 Å²	61.7	53%	0.528	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-4.2	174.2	-71.8	-169.7	-61.2	-89.1	-2.7	114.2	D507 R508 L509 D513	D507-R511 WeakPolarHBondContact O-CG 3.05Å; D507-R511 PolarHBondContact O-N 3.18Å; D507-R511 PolarHBondContact O-NE 2.78Å; D507-R511 PolarHBondContact O-NH1 2.76Å; D507-R511 PolarHBondContact O-NH2 2.87Å; R508-R511 PolarHBondContact O-N 2.86Å; L509-R511 PolarHBondContact O-N 3.23Å; R511-D513 WeakPolarHBondContact CB-OD2 3.34Å; R511-D513 IonicContact CZ-OD2 3.42Å; R511-D513 IonicContact NE-OD2 3.93Å; R511-D513 PolarHBondContact NE-OD2 3.5Å; R511-D513 IonicContact NH2-OD2 3.71Å; R511-D513 PolarHBondContact O-N 3.34Å
512	K	95.9	Very high	95.6	Very high	62 Å²	62	62.9 Å²	62.9	27%	0.27	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	32.2	-172.5	-54	178.1	67.3	174.3	0	112.8	P302 F303 D376 H380 R508 L509 I510 I514	P302-K512 HydrophobicContact CB-CD 4.17Å; P302-K512 HydrophobicContact CB-CG 4.4Å; F303-K512 HydrophobicContact CE1-CD 4.38Å; F303-K512 HydrophobicContact CE1-CG 3.92Å; F303-K512 HydrophobicContact CZ-CG 4.29Å; D376-K512 IonicContact OD2-NZ 2.76Å; D376-K512 PolarHBondContact OD2-NZ 3.12Å; H380-K512 WeakPolarHBondContact CD2-CE 3.28Å; R508-K512 PolarHBondContact O-N 2.81Å; L509-K512 WeakPolarHBondContact O-CA 3.4Å; L509-K512 PolarHBondContact O-N 2.83Å; I510-K512 PolarHBondContact O-N 3.05Å; K512-I514 VanDerWaalsContact C-N 3.3Å
513	D	95.8	Very high	95.3	Very high	81 Å²	81	65.5 Å²	65.5	43%	0.433	33%	0.33	S	S	.	.			trans	-84.9	-4	176.4	-63.8	-29.6	0	0	0	112.7	R508 R511	R508-D513 HydrophobicContact CB-CB 4.01Å; R508-D513 HydrophobicContact CG-CB 4.29Å; R508-D513 PolarHBondContact NH2-O 2.94Å; R508-D513 WeakPolarHBondContact O-CB 2.91Å; R508-D513 PolarHBondContact O-N 3.27Å; R511-D513 WeakPolarHBondContact CB-OD2 3.34Å; R511-D513 IonicContact CZ-OD2 3.42Å; R511-D513 IonicContact NE-OD2 3.93Å; R511-D513 PolarHBondContact NE-OD2 3.5Å; R511-D513 IonicContact NH2-OD2 3.71Å; R511-D513 PolarHBondContact O-N 3.34Å
514	I	96	Very high	95	Very high	41 Å²	41	64.5 Å²	64.5	21%	0.21	32%	0.317	C	S	.	.	S	Bend	trans	-98.5	123.8	174.6	-56.4	-175.5	0	0	0	107.9	F346 H380 R508 L509 K512 P516	F346-I514 HydrophobicContact CD2-CG2 4.16Å; F346-I514 HydrophobicContact CE2-CB 4.21Å; F346-I514 HydrophobicContact CE2-CG2 3.81Å; H380-I514 PolarHBondContact CE1-O 2.88Å; R508-I514 HydrophobicContact CB-CD1 4.15Å; R508-I514 HydrophobicContact CB-CG1 3.81Å; L509-I514 HydrophobicContact CB-CD1 3.92Å; L509-I514 HydrophobicContact CD1-CB 4.37Å; L509-I514 HydrophobicContact CD1-CD1 4.12Å; K512-I514 VanDerWaalsContact C-N 3.3Å; I514-P516 WeakPolarHBondContact O-CD 3.29Å
515	Q	96	Very high	94.2	Very high	175 Å²	175	67.8 Å²	67.8	82%	0.818	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-66.8	128.3	179	-176.6	-179.6	-18.9	0	0	110.3
516	P	97.1	Very high	93.7	Very high	16 Å²	16	70 Å²	70	10%	0.104	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-59.8	140.1	174	-28.5	38.4	0	0	0	112.3	F346 D378 H380 I514 W518	F346-P516 HydrophobicContact CE1-CB 3.95Å; F346-P516 HydrophobicContact CE1-CG 4.16Å; F346-P516 HydrophobicContact CZ-CB 3.97Å; F346-P516 HydrophobicContact CZ-CG 3.82Å; D378-P516 WeakPolarHBondContact O-CG 3.48Å; H380-P516 VanDerWaalsContact NE2-CG 3.34Å; H380-P516 WeakPolarHBondContact NE2-CG 3.37Å; I514-P516 WeakPolarHBondContact O-CD 3.29Å; P516-W518 PolarHBondContact O-N 3.45Å
517	P	96.4	Very high	93.4	Very high	67 Å²	67	70.9 Å²	70.9	44%	0.435	34%	0.342	S	S	.	.	S	Bend	trans	-68.3	-17.5	-180	27.5	-34.7	0	0	0	112.8	R343 F346	R343-P517 HydrophobicContact CB-CB 4.47Å; R343-P517 HydrophobicContact CB-CG 4.11Å; R343-P517 HydrophobicContact CG-CG 3.97Å; F346-P517 HydrophobicContact CB-CG 3.98Å; F346-P517 VanDerWaalsContact CD1-CD 3.46Å; F346-P517 HydrophobicContact CD1-CG 4.14Å; F346-P517 VanDerWaalsContact CG-CD 3.47Å; F346-P517 HydrophobicContact CG-CG 4.06Å
518	W	96.4	Very high	93.1	Very high	52 Å²	52	71.3 Å²	71.3	20%	0.197	35%	0.346	C	S	.	.	S	Bend	trans	-143.5	137.2	174.7	-178.8	86.3	0	0	0	109.7	H332 L375 P516 P520	H332-W518 AromaticContact CE1-CH2 3.19Å; H332-W518 WeakPolarHBondContact CE1-CH2 3.41Å; H332-W518 AromaticContact CE1-CZ3 3.73Å; H332-W518 AromaticContact ND1-CH2 3.4Å; H332-W518 WeakPolarHBondContact ND1-CH2 3.27Å; H332-W518 AromaticContact ND1-CZ2 3.92Å; H332-W518 AromaticContact ND1-CZ3 3.92Å; H332-W518 AromaticContact NE2-CH2 3.76Å; H332-W518 AromaticContact NE2-CZ3 3.83Å; L375-W518 HydrophobicContact CD1-CE3 3.83Å; L375-W518 HydrophobicContact CD1-CZ3 3.61Å; P516-W518 PolarHBondContact O-N 3.45Å; W518-P520 HydrophobicContact CE3-CG 4.36Å; W518-P520 HydrophobicContact CH2-CB 3.78Å; W518-P520 HydrophobicContact CH2-CG 3.95Å; W518-P520 HydrophobicContact CZ3-CB 3.93Å; W518-P520 HydrophobicContact CZ3-CG 3.55Å
519	K	94.7	Very high	92.9	Very high	128 Å²	128	70.6 Å²	70.6	56%	0.557	35%	0.346	S	S	*	.			trans	-118.8	132.6	179.1	-177.8	173.4	176.9	174.7	0	109.9	K377 D378	K377-K519 WeakPolarHBondContact O-CE 3.4Å; D378-K519 IonicContact OD1-NZ 3.9Å
520	P	94.3	Very high	92.6	Very high	6 Å²	6	71.6 Å²	71.6	4%	0.039	35%	0.35	C	S	.	.			trans	-61.9	143.3	173.7	-15.4	24.1	0	0	0	112.7	L375 D376 W518 V522 Y530	L375-P520 HydrophobicContact CB-CG 4.41Å; D376-P520 VanDerWaalsContact O-CG 3.32Å; D376-P520 WeakPolarHBondContact O-CG 3.47Å; W518-P520 HydrophobicContact CE3-CG 4.36Å; W518-P520 HydrophobicContact CH2-CB 3.78Å; W518-P520 HydrophobicContact CH2-CG 3.95Å; W518-P520 HydrophobicContact CZ3-CB 3.93Å; W518-P520 HydrophobicContact CZ3-CG 3.55Å; P520-V522 VanDerWaalsContact C-N 3.25Å; P520-V522 HydrophobicContact CB-CG1 4.17Å; P520-V522 PolarHBondContact O-N 3Å; P520-V522 VanDerWaalsContact O-N 3.11Å; P520-Y530 HydrophobicContact CB-CD2 4.48Å; P520-Y530 HydrophobicContact CB-CE2 3.71Å
521	D	94.3	Very high	92.2	Very high	106 Å²	106	71.5 Å²	71.5	57%	0.567	35%	0.35	S	S	*	.			trans	-88.8	66.8	175.8	-179.1	32.3	0	0	0	109.6	K529 Y530	D521-K529 VanDerWaalsContact CG-NZ 3.25Å; D521-K529 WeakPolarHBondContact O-CD 3.44Å; D521-K529 PolarHBondContact O-NZ 3.46Å; D521-K529 IonicContact OD2-NZ 2.64Å; D521-K529 PolarHBondContact OD2-NZ 2.84Å; D521-Y530 PolarHBondContact N-OH 3.31Å
522	V	92.9	Very high	91.7	Very high	27 Å²	27	66.8 Å²	66.8	16%	0.164	34%	0.337	C	S	.	.			trans	-100.1	136.9	174.9	-67.4	0	0	0	0	110.8	N325 K377 P520 D527 Y530	N325-V522 WeakPolarHBondContact O-CG1 3.23Å; K377-V522 HydrophobicContact CB-CG2 3.78Å; P520-V522 VanDerWaalsContact C-N 3.25Å; P520-V522 HydrophobicContact CB-CG1 4.17Å; P520-V522 PolarHBondContact O-N 3Å; P520-V522 VanDerWaalsContact O-N 3.11Å; V522-D527 WeakPolarHBondContact CA-OD2 3.01Å; V522-D527 HydrophobicContact CB-CB 4.21Å; V522-D527 HydrophobicContact CG1-CB 4.44Å; V522-Y530 HydrophobicContact CG1-CD2 3.83Å; V522-Y530 HydrophobicContact CG1-CE2 3.66Å
523	V	89.6	Confident	91.2	Very high	127 Å²	127	69.3 Å²	69.3	77%	0.77	35%	0.354	S	S	*	.			trans	-83.7	-42.2	-175	-163.1	0	0	0	0	112	D527	V523-D527 PolarHBondContact N-OD2 3.44Å
524	D	87.3	Confident	90.7	Very high	73 Å²	73	70.3 Å²	70.3	39%	0.39	36%	0.356	S	S	.	.	S	Bend	trans	-153.2	-177.7	-178.4	65.3	23.9	0	0	0	112.1	N325 K526 D527	N325-D524 PolarHBondContact ND2-O 3.38Å; D524-K526 PolarHBondContact O-N 3.11Å; D524-K526 WeakPolarHBondContact OD1-CG 3.28Å; D524-K526 PolarHBondContact OD1-N 3Å; D524-K526 VanDerWaalsContact OD1-N 3.07Å; D524-K526 WeakPolarHBondContact OD2-CE 3.12Å; D524-D527 WeakPolarHBondContact O-CB 3.3Å; D524-D527 PolarHBondContact O-N 2.68Å; D524-D527 PolarHBondContact OD1-N 3.14Å; D524-D527 VanDerWaalsContact OD1-N 3.11Å
525	E	81.4	Confident	90.2	Very high	93 Å²	93	69.7 Å²	69.7	44%	0.435	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-18	-176.8	-63.8	-178.7	175.9	0	0	114.3	H268 F269 Y323	H268-E525 IonicContact CE1-OE2 3.06Å; H268-E525 IonicContact ND1-OE2 3.91Å; F269-E525 HydrophobicContact CD2-CB 4.14Å; Y323-E525 WeakPolarHBondContact CD1-O 3.48Å; Y323-E525 WeakPolarHBondContact CE1-O 3.45Å
526	K	86.4	Confident	89.4	Confident	116 Å²	116	66 Å²	66	50%	0.504	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	0.7	179.5	63.2	168.7	179.7	-179.5	0	112.8	F269 D524 T528	F269-K526 HydrophobicContact CD1-CB 3.98Å; F269-K526 HydrophobicContact CD2-CB 4.28Å; F269-K526 HydrophobicContact CE1-CB 3.57Å; F269-K526 HydrophobicContact CE2-CB 3.92Å; F269-K526 HydrophobicContact CG-CB 4.33Å; F269-K526 HydrophobicContact CZ-CB 3.56Å; F269-K526 HydrophobicContact CZ-CD 4.25Å; F269-K526 HydrophobicContact CZ-CG 4.28Å; D524-K526 PolarHBondContact O-N 3.11Å; D524-K526 WeakPolarHBondContact OD1-CG 3.28Å; D524-K526 PolarHBondContact OD1-N 3Å; D524-K526 VanDerWaalsContact OD1-N 3.07Å; D524-K526 WeakPolarHBondContact OD2-CE 3.12Å; K526-T528 WeakPolarHBondContact O-CG2 3.41Å; K526-T528 PolarHBondContact O-N 2.89Å
527	D	88.7	Confident	88.8	Confident	26 Å²	26	73 Å²	73	14%	0.139	37%	0.369	C	S	.	.			trans	-60.1	126.8	-177.6	-165.3	-14.9	0	0	0	110.2	Y323 V522 V523 D524 K529	Y323-D527 PolarHBondContact OH-O 2.93Å; V522-D527 WeakPolarHBondContact CA-OD2 3.01Å; V522-D527 HydrophobicContact CB-CB 4.21Å; V522-D527 HydrophobicContact CG1-CB 4.44Å; V523-D527 PolarHBondContact N-OD2 3.44Å; D524-D527 WeakPolarHBondContact O-CB 3.3Å; D524-D527 PolarHBondContact O-N 2.68Å; D524-D527 PolarHBondContact OD1-N 3.14Å; D524-D527 VanDerWaalsContact OD1-N 3.11Å; D527-K529 WeakPolarHBondContact OD1-CB 3.16Å; D527-K529 PolarHBondContact OD1-N 2.74Å
528	T	89.4	Confident	88.3	Confident	30 Å²	30	72.6 Å²	72.6	18%	0.184	37%	0.366	C	S	.	.			trans	-114.5	21.5	-179.8	61	0	0	0	0	112.3	K248 L260 K526 Y530 V531	K248-T528 HydrophobicContact CD-CG2 4.05Å; K248-T528 PolarHBondContact NZ-OG1 3.29Å; L260-T528 HydrophobicContact CD2-CG2 3.56Å; K526-T528 WeakPolarHBondContact O-CG2 3.41Å; K526-T528 PolarHBondContact O-N 2.89Å; T528-Y530 PolarHBondContact O-N 2.83Å; T528-V531 HydrophobicContact CG2-CG2 4.12Å; T528-V531 WeakPolarHBondContact O-CB 3.12Å; T528-V531 PolarHBondContact O-N 2.89Å
529	K	91.1	Very high	87.8	Confident	99 Å²	99	73.2 Å²	73.2	43%	0.43	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-36.3	179.1	178.5	177.6	-178.3	175.7	0	113.8	D521 D527	D521-K529 VanDerWaalsContact CG-NZ 3.25Å; D521-K529 WeakPolarHBondContact O-CD 3.44Å; D521-K529 PolarHBondContact O-NZ 3.46Å; D521-K529 IonicContact OD2-NZ 2.64Å; D521-K529 PolarHBondContact OD2-NZ 2.84Å; D527-K529 WeakPolarHBondContact OD1-CB 3.16Å; D527-K529 PolarHBondContact OD1-N 2.74Å
530	Y	91.5	Very high	87.5	Confident	24 Å²	24	68.6 Å²	68.6	9%	0.094	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	9.2	-179.1	-59.4	-67	0	0	0	113.7	N325 F331 H332 P520 D521 V522 T528	N325-Y530 WeakPolarHBondContact O-CD2 3.32Å; F331-Y530 HydrophobicContact CD1-CD1 4.15Å; F331-Y530 AromaticContact CE1-CD1 3.66Å; F331-Y530 HydrophobicContact CE1-CD1 3.66Å; F331-Y530 HydrophobicContact CE1-CE1 4.09Å; F331-Y530 HydrophobicContact CZ-CD1 4.47Å; H332-Y530 AromaticContact CE1-CD1 3.77Å; H332-Y530 AromaticContact CE1-CE1 3.67Å; P520-Y530 HydrophobicContact CB-CD2 4.48Å; P520-Y530 HydrophobicContact CB-CE2 3.71Å; D521-Y530 PolarHBondContact N-OH 3.31Å; V522-Y530 HydrophobicContact CG1-CD2 3.83Å; V522-Y530 HydrophobicContact CG1-CE2 3.66Å; T528-Y530 PolarHBondContact O-N 2.83Å
531	V	86.4	Confident	87.1	Confident	12 Å²	12	74.3 Å²	74.3	7%	0.073	39%	0.39	C	S	.	.	S	Bend	trans	-76.2	129.3	169.9	178	0	0	0	0	108.7	L250 T528 F535	L250-V531 HydrophobicContact CD2-CG1 4.39Å; L250-V531 HydrophobicContact CD2-CG2 3.45Å; L250-V531 VanDerWaalsContact CD2-CG2 3.45Å; T528-V531 HydrophobicContact CG2-CG2 4.12Å; T528-V531 WeakPolarHBondContact O-CB 3.12Å; T528-V531 PolarHBondContact O-N 2.89Å; V531-F535 HydrophobicContact CG1-CB 4.16Å; V531-F535 HydrophobicContact CG1-CD2 4.47Å
532	P	84.6	Confident	86.5	Confident	41 Å²	41	71.6 Å²	71.6	27%	0.266	38%	0.376	S	S	.	.			trans	-51.9	141.6	179.1	-28.7	35.2	0	0	0	113.3	E534 F535	P532-E534 HydrophobicContact CB-CG 3.94Å; P532-E534 PolarHBondContact O-N 3.01Å; P532-F535 HydrophobicContact CB-CD2 3.79Å; P532-F535 HydrophobicContact CB-CE2 3.9Å; P532-F535 HydrophobicContact CG-CD2 4.03Å; P532-F535 HydrophobicContact CG-CE2 3.95Å; P532-F535 PolarHBondContact O-N 3.39Å; P532-F535 VanDerWaalsContact O-N 3.08Å
533	D	84.6	Confident	85.6	Confident	116 Å²	116	73.9 Å²	73.9	62%	0.62	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-58.3	-33.5	-175.2	-75.2	-26.2	0	0	0	112.8	F535 K536	D533-F535 PolarHBondContact O-N 3.06Å; D533-F535 VanDerWaalsContact O-N 3.11Å; D533-K536 WeakPolarHBondContact O-CB 3.26Å; D533-K536 PolarHBondContact O-N 2.77Å; D533-K536 WeakPolarHBondContact OD1-CD 3.27Å; D533-K536 WeakPolarHBondContact OD1-CE 3.4Å; D533-K536 IonicContact OD1-NZ 3.79Å; D533-K536 PolarHBondContact OD1-NZ 2.8Å
534	E	86	Confident	84.6	Confident	102 Å²	102	72.7 Å²	72.7	48%	0.477	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-58.6	-22.6	178.3	60.7	-176.1	-155.7	0	0	114.1	N10 P532 T538	N10-E534 PolarHBondContact OD1-OE2 2.91Å; P532-E534 HydrophobicContact CB-CG 3.94Å; P532-E534 PolarHBondContact O-N 3.01Å; E534-T538 PolarHBondContact O-OG1 2.89Å
535	F	85.2	Confident	83.2	Confident	28 Å²	28	71.9 Å²	71.9	12%	0.123	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-97.7	-7.9	179.2	-54.1	-55.3	0	0	0	113.9	V249 L250 K252 V531 P532 D533 D537 T538	V249-F535 HydrophobicContact CG1-CB 4.37Å; V249-F535 HydrophobicContact CG1-CD1 4.22Å; V249-F535 HydrophobicContact CG1-CG 4.47Å; V249-F535 WeakPolarHBondContact O-CB 3.32Å; L250-F535 VanDerWaalsContact O-CD2 3.3Å; L250-F535 WeakPolarHBondContact O-CD2 3.39Å; K252-F535 HydrophobicContact CB-CE1 4.13Å; V531-F535 HydrophobicContact CG1-CB 4.16Å; V531-F535 HydrophobicContact CG1-CD2 4.47Å; P532-F535 HydrophobicContact CB-CD2 3.79Å; P532-F535 HydrophobicContact CB-CE2 3.9Å; P532-F535 HydrophobicContact CG-CD2 4.03Å; P532-F535 HydrophobicContact CG-CE2 3.95Å; P532-F535 PolarHBondContact O-N 3.39Å; P532-F535 VanDerWaalsContact O-N 3.08Å; D533-F535 PolarHBondContact O-N 3.06Å; D533-F535 VanDerWaalsContact O-N 3.11Å; F535-D537 VanDerWaalsContact C-N 3.28Å; F535-D537 PolarHBondContact O-N 2.87Å; F535-T538 PolarHBondContact O-N 2.82Å
536	K	79.4	Confident	82.3	Confident	98 Å²	98	73.1 Å²	73.1	43%	0.426	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-37.5	-173.4	-75.7	-178.5	173.8	172.5	0	113.5	D533	D533-K536 WeakPolarHBondContact O-CB 3.26Å; D533-K536 PolarHBondContact O-N 2.77Å; D533-K536 WeakPolarHBondContact OD1-CD 3.27Å; D533-K536 WeakPolarHBondContact OD1-CE 3.4Å; D533-K536 IonicContact OD1-NZ 3.79Å; D533-K536 PolarHBondContact OD1-NZ 2.8Å
537	D	83.6	Confident	80.9	Confident	162 Å²	162	75 Å²	75	87%	0.866	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	12.3	-176.6	-58.7	-41.7	0	0	0	113.2	F535	F535-D537 VanDerWaalsContact C-N 3.28Å; F535-D537 PolarHBondContact O-N 2.87Å
538	T	86.3	Confident	79.3	Confident	59 Å²	59	81 Å²	81	36%	0.362	44%	0.441	S	S	.	.			trans	-78.2	129.5	-179.9	-58.6	0	0	0	0	110.9	V249 E534 F535	V249-T538 HydrophobicContact CB-CG2 4.19Å; V249-T538 HydrophobicContact CG1-CG2 4.26Å; V249-T538 HydrophobicContact CG2-CG2 3.81Å; E534-T538 PolarHBondContact O-OG1 2.89Å; F535-T538 PolarHBondContact O-N 2.82Å
539	S	86.8	Confident	77.5	Confident	64 Å²	64	82.1 Å²	82.1	45%	0.448	44%	0.444	S	S	.	.			trans	-62.4	136.9	177.1	174.9	0	0	0	0	112.5	D541	S539-D541 VanDerWaalsContact C-N 3.27Å; S539-D541 WeakPolarHBondContact OG-CB 3.49Å; S539-D541 PolarHBondContact OG-N 3.38Å; S539-D541 PolarHBondContact OG-OD2 2.96Å
540	V	88.4	Confident	75.6	Confident	32 Å²	32	81.1 Å²	81.1	19%	0.194	44%	0.443	C	S	.	.			trans	-76.7	-12.9	173.4	-65.3	0	0	0	0	113	L246 V249 K257 I259 L542	L246-V540 HydrophobicContact CB-CB 4.15Å; L246-V540 HydrophobicContact CB-CG2 4.33Å; V249-V540 HydrophobicContact CG2-CG1 4.33Å; K257-V540 VanDerWaalsContact NZ-C 3.27Å; K257-V540 PolarHBondContact NZ-O 3.41Å; I259-V540 HydrophobicContact CG2-CG1 4.21Å; V540-L542 PolarHBondContact O-N 3.14Å
541	D	85.6	Confident	73.5	Confident	125 Å²	125	85.7 Å²	85.7	67%	0.668	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-60	132.3	-174.6	-62.1	-39.2	0	0	0	112.6	K257 S539	K257-D541 VanDerWaalsContact NZ-C 3.32Å; K257-D541 PolarHBondContact NZ-O 3.26Å; S539-D541 VanDerWaalsContact C-N 3.27Å; S539-D541 WeakPolarHBondContact OG-CB 3.49Å; S539-D541 PolarHBondContact OG-N 3.38Å; S539-D541 PolarHBondContact OG-OD2 2.96Å
542	L	80.7	Confident	71.5	Confident	49 Å²	49	91 Å²	91	26%	0.257	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-75.2	139.1	174.9	-57.4	-175.6	0	0	0	109.5	V241 I274 Y316 V540 P544	V241-L542 HydrophobicContact CG1-CD1 4.35Å; I274-L542 HydrophobicContact CD1-CD2 3.71Å; I274-L542 HydrophobicContact CG2-CD2 4.17Å; Y316-L542 HydrophobicContact CE2-CB 4.38Å; Y316-L542 HydrophobicContact CE2-CD1 4.37Å; V540-L542 PolarHBondContact O-N 3.14Å; L542-P544 WeakPolarHBondContact O-CD 3.49Å
543	T	74.8	Confident	69.6	Low	76 Å²	76	89.3 Å²	89.3	47%	0.466	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-60.9	128.6	174.9	-41.5	0	0	0	0	108.6	K276 Y316	K276-T543 VanDerWaalsContact NZ-CB 3.34Å; K276-T543 PolarHBondContact NZ-OG1 3.45Å; Y316-T543 PolarHBondContact OH-N 2.94Å; Y316-T543 PolarHBondContact OH-O 3.43Å
544	P	67.3	Low	67.8	Low	102 Å²	102	94 Å²	94	66%	0.662	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-57.7	144.8	172.4	-20	30.6	0	0	0	110.2	L542	L542-P544 WeakPolarHBondContact O-CD 3.49Å
545	P	59.5	Low	65.9	Low	55 Å²	55	95.9 Å²	95.9	36%	0.357	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-60.8	141.2	171.9	22.4	-28.4	0	0	0	110.7	N315	N315-P545 WeakPolarHBondContact ND2-CB 3.45Å; N315-P545 WeakPolarHBondContact ND2-CG 3.27Å
546	N	62	Low	63.9	Low	120 Å²	120	96 Å²	96	64%	0.642	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-74.2	140.2	167	-98.4	-17.3	0	0	0	108.9	N548 E549	N546-N548 PolarHBondContact O-N 3.28Å; N546-E549 HydrophobicContact CB-CG 4.2Å; N546-E549 PolarHBondContact N-OE2 2.92Å; N546-E549 WeakPolarHBondContact O-CB 3.37Å; N546-E549 PolarHBondContact O-N 3.31Å
547	D	56.2	Low	62.5	Low	155 Å²	155	93.4 Å²	93.4	83%	0.829	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-23.6	-177.3	-66.6	-34.2	0	0	0	114
548	N	55.1	Low	61.2	Low	152 Å²	152	87 Å²	87	81%	0.813	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-18.3	176.1	-71.8	-25.4	0	0	0	114.4	N546	N546-N548 PolarHBondContact O-N 3.28Å
549	E	52.2	Low	59.6	Low	53 Å²	53	89.1 Å²	89.1	25%	0.248	49%	0.485	C	S	.	.	H	α-helix	trans	-78.1	-30.1	-177.5	-74	-174	134.4	0	0	113	S278 N546 N551 M552 N553	S278-E549 WeakPolarHBondContact CB-OE1 3.46Å; S278-E549 PolarHBondContact OG-OE1 2.87Å; N546-E549 HydrophobicContact CB-CG 4.2Å; N546-E549 PolarHBondContact N-OE2 2.92Å; N546-E549 WeakPolarHBondContact O-CB 3.37Å; N546-E549 PolarHBondContact O-N 3.31Å; E549-N551 VanDerWaalsContact C-N 3.26Å; E549-N551 PolarHBondContact O-N 3.4Å; E549-M552 PolarHBondContact O-N 2.87Å; E549-M552 VanDerWaalsContact O-N 3.09Å; E549-N553 PolarHBondContact O-N 2.86Å; E549-N553 PolarHBondContact O-ND2 2.66Å
550	D	51.3	Low	57.9	Low	79 Å²	79	91.8 Å²	91.8	42%	0.422	49%	0.487	S	S	.	.	H	α-helix	trans	-61.8	-31.8	-176.6	-92.9	-8.3	0	0	0	113.1	R554	D550-R554 PolarHBondContact O-N 2.93Å
551	N	47.7	Very low	56.5	Low	120 Å²	120	90.4 Å²	90.4	64%	0.642	48%	0.478	S	S	*	.	H	α-helix	trans	-75.6	-35.3	175.4	-92.5	-18.6	0	0	0	112.9	E549 I555	E549-N551 VanDerWaalsContact C-N 3.26Å; E549-N551 PolarHBondContact O-N 3.4Å; N551-I555 WeakPolarHBondContact O-CD1 3.34Å; N551-I555 WeakPolarHBondContact O-CG1 3.28Å
552	M	43.7	Very low	55.1	Low	123 Å²	123	92 Å²	92	61%	0.606	48%	0.481	S	S	*	.	H	α-helix	trans	-67.9	-45.5	175.2	-105.6	-79.9	-143.5	0	0	110.8	E549 R554 I555 V556	E549-M552 PolarHBondContact O-N 2.87Å; E549-M552 VanDerWaalsContact O-N 3.09Å; M552-R554 PolarHBondContact O-N 3.15Å; M552-I555 PolarHBondContact O-N 3.15Å; M552-V556 VanDerWaalsContact O-CG2 3.32Å; M552-V556 WeakPolarHBondContact O-CG2 3.47Å; M552-V556 PolarHBondContact O-N 3.33Å; M552-V556 VanDerWaalsContact O-N 3.14Å; M552-V556 HydrophobicContact SD-CG2 4.29Å
553	N	44.8	Very low	54	Low	6 Å²	6	95.8 Å²	95.8	3%	0.032	50%	0.498	C	S	.	.	H	α-helix	trans	-65.7	-36.9	-176	-72.3	-26.5	0	0	0	112.6	P314 N315 E549 I555 V556 D557	P314-N553 WeakPolarHBondContact O-CB 3.24Å; P314-N553 PolarHBondContact O-ND2 2.84Å; N315-N553 PolarHBondContact OD1-ND2 2.97Å; E549-N553 PolarHBondContact O-N 2.86Å; E549-N553 PolarHBondContact O-ND2 2.66Å; N553-I555 PolarHBondContact O-N 3Å; N553-V556 PolarHBondContact O-N 3.19Å; N553-D557 WeakPolarHBondContact O-CB 3.45Å; N553-D557 VanDerWaalsContact O-CG 3.26Å; N553-D557 PolarHBondContact O-N 3.5Å
554	R	48.1	Very low	53.3	Low	214 Å²	214	92.1 Å²	92.1	81%	0.808	48%	0.476	S	S	*	.	H	α-helix	trans	-67.1	-30.7	175.7	-81.3	-178.3	152.8	175.8	-3.5	114.5	D550 M552	D550-R554 PolarHBondContact O-N 2.93Å; M552-R554 PolarHBondContact O-N 3.15Å
555	I	44.8	Very low	52.9	Low	142 Å²	142	90.8 Å²	90.8	73%	0.728	47%	0.469	S	S	*	.	H	α-helix	trans	-81.6	-30.8	-179.8	-65.2	170.5	0	0	0	110.8	N551 M552 N553	N551-I555 WeakPolarHBondContact O-CD1 3.34Å; N551-I555 WeakPolarHBondContact O-CG1 3.28Å; M552-I555 PolarHBondContact O-N 3.15Å; N553-I555 PolarHBondContact O-N 3Å
556	V	43.8	Very low	53.2	Low	31 Å²	31	90.5 Å²	90.5	19%	0.188	46%	0.462	C	S	.	.	H	α-helix	trans	-96.9	-22.7	-173.6	-173.9	0	0	0	0	113.3	I281 M552 N553 G558 Y560	I281-V556 HydrophobicContact CD1-CB 4.09Å; I281-V556 HydrophobicContact CD1-CG1 3.55Å; I281-V556 HydrophobicContact CG1-CG1 4.15Å; M552-V556 VanDerWaalsContact O-CG2 3.32Å; M552-V556 WeakPolarHBondContact O-CG2 3.47Å; M552-V556 PolarHBondContact O-N 3.33Å; M552-V556 VanDerWaalsContact O-N 3.14Å; M552-V556 HydrophobicContact SD-CG2 4.29Å; N553-V556 PolarHBondContact O-N 3.19Å; V556-G558 PolarHBondContact O-N 3.47Å; V556-G558 VanDerWaalsContact O-N 3.16Å; V556-Y560 HydrophobicContact CG1-CD2 4.32Å
557	D	49.9	Very low	53.3	Low	42 Å²	42	88.1 Å²	88.1	23%	0.225	45%	0.447	C	S	.	.	H	α-helix	trans	-57.7	-30.4	-179.7	-95.1	-9.2	0	0	0	114.2	K277 N553 F561	K277-D557 WeakPolarHBondContact CE-OD1 3.43Å; K277-D557 IonicContact NZ-OD1 3.09Å; K277-D557 PolarHBondContact NZ-OD1 3.27Å; K277-D557 IonicContact NZ-OD2 3.61Å; K277-D557 PolarHBondContact NZ-OD2 2.94Å; N553-D557 WeakPolarHBondContact O-CB 3.45Å; N553-D557 VanDerWaalsContact O-CG 3.26Å; N553-D557 PolarHBondContact O-N 3.5Å; D557-F561 PolarHBondContact O-N 3.31Å; D557-F561 WeakPolarHBondContact OD1-CD2 3.16Å
558	G	55.3	Low	52.8	Low	29 Å²	29	81.3 Å²	81.3	30%	0.299	41%	0.413	S	S	.	.	H	α-helix	trans	-46.9	-69.9	-168.3	0	0	0	0	0	115.3	V556 E562	V556-G558 PolarHBondContact O-N 3.47Å; V556-G558 VanDerWaalsContact O-N 3.16Å; G558-E562 WeakPolarHBondContact O-CG 3.42Å
559	P	53.9	Low	52.2	Low	102 Å²	102	77.5 Å²	77.5	66%	0.662	40%	0.398	S	S	*	.	H	α-helix	trans	-90.3	-18.7	-173.2	31.8	-32.1	0	0	0	114.6
560	Y	50.1	Low	51.6	Low	120 Å²	120	81.7 Å²	81.7	47%	0.471	41%	0.412	S	S	.	.	H	α-helix	trans	-92.8	-45.4	-169.6	-63.3	-70.9	0	0	0	112.3	V286 M290 V556	V286-Y560 HydrophobicContact CG1-CD1 4.19Å; V286-Y560 HydrophobicContact CG1-CG 4.29Å; M290-Y560 WeakPolarHBondContact CE-O 3.49Å; V556-Y560 HydrophobicContact CG1-CD2 4.32Å
561	F	60.2	Low	50.7	Low	4 Å²	4	86 Å²	86	2%	0.018	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-6.1	-166.4	-57.7	-63.4	0	0	0	114.8	K277 I281 V286 M290 T312 L317 D557 Q563 F564	K277-F561 HydrophobicContact CD-CD2 4.25Å; K277-F561 HydrophobicContact CD-CE2 4.45Å; K277-F561 HydrophobicContact CG-CE2 4.41Å; I281-F561 HydrophobicContact CD1-CE2 4.46Å; V286-F561 HydrophobicContact CG1-CE1 3.94Å; V286-F561 HydrophobicContact CG1-CZ 3.79Å; V286-F561 HydrophobicContact CG2-CZ 4.09Å; M290-F561 HydrophobicContact CE-CD1 3.17Å; M290-F561 HydrophobicContact CE-CE1 3.49Å; M290-F561 VanDerWaalsContact CE-CE1 3.49Å; M290-F561 HydrophobicContact CE-CG 4.18Å; T312-F561 HydrophobicContact CG2-CB 4.13Å; L317-F561 HydrophobicContact CD1-CD1 3.88Å; L317-F561 HydrophobicContact CD1-CE1 3.55Å; L317-F561 HydrophobicContact CD1-CZ 4.48Å; L317-F561 HydrophobicContact CD2-CD1 3.53Å; L317-F561 HydrophobicContact CD2-CE1 4.06Å; L317-F561 HydrophobicContact CD2-CG 4.18Å; L317-F561 HydrophobicContact CG-CD1 4.21Å; L317-F561 HydrophobicContact CG-CE1 4.23Å; D557-F561 PolarHBondContact O-N 3.31Å; D557-F561 WeakPolarHBondContact OD1-CD2 3.16Å; F561-Q563 PolarHBondContact O-N 2.9Å; F561-Q563 VanDerWaalsContact O-N 3.09Å; F561-F564 WeakPolarHBondContact O-CB 3.47Å; F561-F564 PolarHBondContact O-N 3.03Å
562	E	56.3	Low	50.1	Low	157 Å²	157	82.5 Å²	82.5	73%	0.734	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-23.5	178.3	-82.2	-176.7	178.2	0	0	113.9	G558	G558-E562 WeakPolarHBondContact O-CG 3.42Å
563	Q	56.7	Low	49.8	Very low	129 Å²	129	78.9 Å²	78.9	60%	0.603	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	9.3	-177	-62.3	-175.1	-8.2	0	0	114.5	F561 S565	F561-Q563 PolarHBondContact O-N 2.9Å; F561-Q563 VanDerWaalsContact O-N 3.09Å; Q563-S565 PolarHBondContact O-N 3.31Å; Q563-S565 VanDerWaalsContact O-N 3.17Å
564	F	60.1	Low	49.2	Very low	0 Å²	0	84.7 Å²	84.7	0%	0	43%	0.428	C	S	.	.			trans	-82.3	12.3	-170.1	-146.9	-97.1	0	0	0	115.3	T289 M290 N293 S310 F311 T312 L317 F319 F561	T289-F564 HydrophobicContact CG2-CE2 4.47Å; M290-F564 HydrophobicContact CE-CD2 3.9Å; M290-F564 HydrophobicContact CE-CE2 4.29Å; M290-F564 HydrophobicContact SD-CD2 4.08Å; M290-F564 HydrophobicContact SD-CE2 4.35Å; N293-F564 HydrophobicContact CB-CE2 4.05Å; S310-F564 CarbonylContact C-O 3.57Å; S310-F564 WeakPolarHBondContact CB-O 3.35Å; S310-F564 PolarHBondContact OG-O 2.87Å; F311-F564 PolarHBondContact N-O 3.29Å; F311-F564 WeakPolarHBondContact O-CD1 3.34Å; T312-F564 HydrophobicContact CG2-CB 3.35Å; T312-F564 HydrophobicContact CG2-CD1 3.92Å; T312-F564 HydrophobicContact CG2-CG 3.79Å; L317-F564 HydrophobicContact CB-CE1 3.83Å; L317-F564 HydrophobicContact CB-CE2 4.45Å; L317-F564 HydrophobicContact CB-CZ 3.73Å; L317-F564 HydrophobicContact CD1-CE2 3.93Å; L317-F564 HydrophobicContact CD1-CZ 3.99Å; L317-F564 HydrophobicContact CD2-CD1 4.02Å; L317-F564 HydrophobicContact CD2-CD2 4.03Å; L317-F564 HydrophobicContact CD2-CE1 4.06Å; L317-F564 HydrophobicContact CD2-CE2 4.06Å; L317-F564 HydrophobicContact CD2-CG 3.99Å; L317-F564 HydrophobicContact CD2-CZ 4.03Å; L317-F564 HydrophobicContact CG-CE1 4.42Å; L317-F564 HydrophobicContact CG-CE2 4.37Å; L317-F564 HydrophobicContact CG-CZ 4.13Å; F319-F564 HydrophobicContact CD1-CE1 4.3Å; F319-F564 HydrophobicContact CD1-CZ 4.12Å; F319-F564 HydrophobicContact CD2-CZ 4.31Å; F319-F564 HydrophobicContact CE1-CE1 4.03Å; F319-F564 HydrophobicContact CE1-CE2 4.15Å; F319-F564 AromaticContact CE1-CZ 3.43Å; F319-F564 HydrophobicContact CE1-CZ 3.43Å; F319-F564 VanDerWaalsContact CE1-CZ 3.43Å; F319-F564 HydrophobicContact CE2-CE1 4.42Å; F319-F564 AromaticContact CE2-CZ 3.67Å; F319-F564 HydrophobicContact CE2-CZ 3.67Å; F319-F564 HydrophobicContact CZ-CE1 4.14Å; F319-F564 AromaticContact CZ-CE2 3.9Å; F319-F564 HydrophobicContact CZ-CE2 3.9Å; F319-F564 AromaticContact CZ-CZ 3.22Å; F319-F564 HydrophobicContact CZ-CZ 3.22Å; F561-F564 WeakPolarHBondContact O-CB 3.47Å; F561-F564 PolarHBondContact O-N 3.03Å
565	S	59.8	Low	48.3	Very low	74 Å²	74	79.5 Å²	79.5	52%	0.517	43%	0.425	S	S	.	.			trans	-95.9	114.3	-177.7	-65	0	0	0	0	111.9	S310 Q563	S310-S565 WeakPolarHBondContact O-CA 3.15Å; Q563-S565 PolarHBondContact O-N 3.31Å; Q563-S565 VanDerWaalsContact O-N 3.17Å
566	F	66	Low	47.4	Very low	48 Å²	48	81 Å²	81	21%	0.211	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	144.1	177.4	176.7	-101.7	0	0	0	112.4	Q297 L307 Y309 S310	Q297-F566 HydrophobicContact CB-CD2 4.31Å; Q297-F566 HydrophobicContact CB-CE2 4.19Å; Q297-F566 HydrophobicContact CB-CZ 4.5Å; Q297-F566 HydrophobicContact CG-CB 4.17Å; Q297-F566 HydrophobicContact CG-CD1 4.09Å; Q297-F566 HydrophobicContact CG-CD2 3.64Å; Q297-F566 HydrophobicContact CG-CE1 4.4Å; Q297-F566 HydrophobicContact CG-CE2 3.98Å; Q297-F566 HydrophobicContact CG-CG 3.69Å; Q297-F566 HydrophobicContact CG-CZ 4.34Å; L307-F566 HydrophobicContact CD2-CD1 3.98Å; L307-F566 HydrophobicContact CD2-CE1 4.42Å; L307-F566 HydrophobicContact CG-CD1 4.22Å; L307-F566 HydrophobicContact CG-CE1 4.48Å; Y309-F566 WeakPolarHBondContact CA-O 3.42Å; S310-F566 PolarHBondContact N-O 2.82Å; S310-F566 PolarHBondContact O-N 2.96Å; S310-F566 VanDerWaalsContact OG-CB 3.24Å; S310-F566 WeakPolarHBondContact OG-CB 3.45Å; S310-F566 PolarHBondContact OG-N 2.89Å
567	H	63	Low	46.6	Very low	70 Å²	70	86.6 Å²	86.6	32%	0.324	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	107.8	177.8	-59.1	87.8	0	0	0	110.8	V236 K237 Y239	V236-H567 VanDerWaalsContact CG1-CE1 3.47Å; V236-H567 WeakPolarHBondContact CG1-CE1 3.36Å; V236-H567 WeakPolarHBondContact CG1-ND1 3.45Å; K237-H567 PolarHBondContact O-NE2 3.02Å; Y239-H567 AromaticContact CD2-CD2 3.41Å; Y239-H567 VanDerWaalsContact CD2-CD2 3.41Å; Y239-H567 WeakPolarHBondContact CD2-CD2 3.26Å; Y239-H567 AromaticContact CD2-NE2 3.21Å; Y239-H567 WeakPolarHBondContact CD2-NE2 3.32Å; Y239-H567 AromaticContact CE2-CD2 3.37Å; Y239-H567 WeakPolarHBondContact CE2-CD2 3.36Å; Y239-H567 AromaticContact CE2-NE2 3.62Å
568	G	47	Very low	45.5	Very low	13 Å²	13	89.1 Å²	89.1	13%	0.134	48%	0.477	C	S	.	.			trans	-76	154.5	177.3	0	0	0	0	0	114.1	R308	R308-G568 PolarHBondContact NH1-O 2.93Å; R308-G568 PolarHBondContact NH2-O 3.43Å; R308-G568 PolarHBondContact O-N 3.31Å
569	S	42.7	Very low	44	Very low	71 Å²	71	91.6 Å²	91.6	50%	0.497	50%	0.502	S	S	.	.			trans	-81.2	140.1	173.4	177.3	0	0	0	0	111.5	R308 Q571 S572	R308-S569 PolarHBondContact NH1-O 3.5Å; S569-Q571 VanDerWaalsContact C-N 3.28Å; S569-Q571 PolarHBondContact O-N 2.92Å; S569-S572 PolarHBondContact O-OG 3.18Å
570	R	38.7	Very low	42.6	Very low	141 Å²	141	96.1 Å²	96.1	53%	0.532	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-76.5	-10.7	-169.3	-139.5	172.1	168.7	-166.9	-10.7	114.4	T266 S572	T266-R570 VanDerWaalsContact CB-NH2 3.26Å; R570-S572 VanDerWaalsContact C-N 3.29Å; R570-S572 PolarHBondContact O-N 3.24Å
571	Q	33	Very low	41.3	Very low	170 Å²	170	95.9 Å²	95.9	79%	0.794	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-74.5	-14.2	-172.2	-70.8	171.5	-10.7	0	0	114.1	S569	S569-Q571 VanDerWaalsContact C-N 3.28Å; S569-Q571 PolarHBondContact O-N 2.92Å
572	S	34.5	Very low	39.7	Very low	46 Å²	46	105.5 Å²	105.5	32%	0.322	57%	0.565	S	S	.	*	G	3₁₀ helix	trans	-80.2	-28.9	-178.4	43.3	0	0	0	0	114.4	E306 S569 R570 N574	E306-S572 VanDerWaalsContact OE1-CB 3.31Å; E306-S572 WeakPolarHBondContact OE1-CB 3.45Å; E306-S572 PolarHBondContact OE1-OG 3.41Å; E306-S572 WeakPolarHBondContact OE2-CB 3.33Å; E306-S572 PolarHBondContact OE2-OG 3.14Å; S569-S572 PolarHBondContact O-OG 3.18Å; R570-S572 VanDerWaalsContact C-N 3.29Å; R570-S572 PolarHBondContact O-N 3.24Å; S572-N574 PolarHBondContact O-N 3.19Å
573	L	38.5	Very low	38.3	Very low	48 Å²	48	100 Å²	100	25%	0.251	55%	0.551	S	S	.	*	S	Bend	trans	-78.8	-18.2	-173.8	-70.9	163	0	0	0	114	Y270	Y270-L573 HydrophobicContact CE1-CD1 4.22Å
574	N	30.3	Very low	36.8	Very low	127 Å²	127	101.6 Å²	101.6	68%	0.679	56%	0.563	S	S	*	*			trans	-117.2	59.7	-178.5	-79.2	-17.4	0	0	0	111.8	S572 R576	S572-N574 PolarHBondContact O-N 3.19Å; N574-R576 PolarHBondContact O-N 3.37Å
575	S	30.5	Very low	35.2	Very low	106 Å²	106	107.8 Å²	107.8	74%	0.741	60%	0.601	S	S	*	*			trans	-87	62.4	164.7	58.8	0	0	0	0	111.3
576	R	25.5	Very low	33.7	Very low	174 Å²	174	117.9 Å²	117.9	66%	0.657	64%	0.636	S	S	*	*	S	Bend	trans	-130.3	117.4	148.7	-82	-168.8	179.8	163.3	7.3	108.2	D378 N574	D378-R576 IonicContact OD1-CZ 3.56Å; D378-R576 IonicContact OD1-NH1 3.96Å; D378-R576 IonicContact OD1-NH2 3.56Å; D378-R576 PolarHBondContact OD1-NH2 2.95Å; D378-R576 IonicContact OD2-CZ 2.7Å; D378-R576 IonicContact OD2-NH2 2.88Å; D378-R576 PolarHBondContact OD2-NH2 2.85Å; N574-R576 PolarHBondContact O-N 3.37Å
577	V	27.5	Very low	32.1	Very low	147 Å²	147	121.4 Å²	121.4	89%	0.891	66%	0.658	S	S	*	*			trans	78.4	83	167.3	-161.1	0	0	0	0	116.4
578	S	25.2	Very low	30.4	Very low	96 Å²	96	124.1 Å²	124.1	67%	0.671	68%	0.675	S	S	*	*				-146.8	114.8	118.3	59.6	0	0	0	0	109.3	Y580	S578-Y580 PolarHBondContact O-N 3.47Å
579	G	24.1	Very low	29.5	Very low	81 Å²	81	130.2 Å²	130.2	84%	0.835	71%	0.705	S	S	*	*			trans	-67.8	100.2	169.7	0	0	0	0	0	108.8
580	Y	25.1	Very low	28.7	Very low	196 Å²	196	133.7 Å²	133.7	77%	0.769	72%	0.718	S	S	*	*			trans	-108.3	102.7	155.5	-81.2	-78.9	0	0	0	107.4	S578 F582	S578-Y580 PolarHBondContact O-N 3.47Å; Y580-F582 PolarHBondContact O-N 3.46Å
581	S	22.8	Very low	28.1	Very low	115 Å²	115	133.3 Å²	133.3	80%	0.804	73%	0.729	S	S	*	*			trans	-51.3	102.3	156.5	172.6	0	0	0	0	107.9	G583	S581-G583 PolarHBondContact O-N 2.98Å
582	F	27.1	Very low	27.8	Very low	206 Å²	206	130.8 Å²	130.8	90%	0.904	73%	0.725	S	S	*	*			trans	-73.6	87.3	157.5	-98.6	-90.4	0	0	0	106.5	Y580	Y580-F582 PolarHBondContact O-N 3.46Å
583	G	26.7	Very low	27.3	Very low	42 Å²	42	136.9 Å²	136.9	43%	0.433	75%	0.754	S	S	.	*			trans	-69.6	135.6	168.5	0	0	0	0	0	110.1	S581 T585	S581-G583 PolarHBondContact O-N 2.98Å; G583-T585 PolarHBondContact O-N 3.45Å
584	D	24.2	Very low	26.5	Very low	162 Å²	162	143.7 Å²	143.7	87%	0.866	79%	0.792	S	S	*	*			trans	15	94.6	147.9	-58.9	-28.9	0	0	0	116.2
585	T	26.7	Very low	26.1	Very low	130 Å²	130	145.1 Å²	145.1	80%	0.798	80%	0.802	S	S	*	*			trans	-161.4	82.7	145	5.6	0	0	0	0	108.8	G583	G583-T585 PolarHBondContact O-N 3.45Å
586	F	28.5	Very low	25.7	Very low	286 Å²	286	148.6 Å²	148.6	100%	1.254	81%	0.807	S	S	*	*				-175.5	0	129.7	-105.1	-72.3	0	0	0	110.6

Retrieved 586 of 586 residues in 178.6 ms (Link to these results)

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