A0A087YDH7_POEFO Loading...

ATP-dependent RNA helicase SUPV3L1, mitochondrial

AlphaFold DB , UniProt , Accession A0A087YDH7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 780 aa.

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(Predicted Aligned Error values between residue pairs)

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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	30.3	Very low	27.1	Very low	244 Å²	244	164.2 Å²	164.2	100%	1.202	84%	0.838	S	S	*	*				0	127.1	0	-75.4	173.8	170.1	0	0	108.1
2	S	25.8	Very low	27	Very low	123 Å²	123	160.5 Å²	160.5	86%	0.86	84%	0.838	S	S	*	*			trans	14.3	145.3	142.6	-94.8	0	0	0	0	120.6
3	A	26.6	Very low	27.1	Very low	85 Å²	85	165.8 Å²	165.8	70%	0.702	84%	0.84	S	S	*	*			cis	-152.7	141.4	11.6	0	0	0	0	0	114.4
4	N	30.5	Very low	27	Very low	146 Å²	146	166.4 Å²	166.4	78%	0.781	85%	0.845	S	S	*	*			trans	10.4	129	135.6	-64.5	-17.1	0	0	0	119.5
5	R	27.3	Very low	27	Very low	252 Å²	252	165.5 Å²	165.5	95%	0.951	84%	0.836	S	S	*	*				-150.8	122.6	122.6	-114.2	176.9	-172.1	-164.8	1.5	111.6
6	T	25.9	Very low	27.1	Very low	122 Å²	122	166.9 Å²	166.9	75%	0.748	83%	0.828	S	S	*	*			trans	-115.7	164.6	178.3	-47.8	0	0	0	0	108
7	V	28.3	Very low	27	Very low	109 Å²	109	168.6 Å²	168.6	66%	0.661	83%	0.833	S	S	*	*			trans	112	121.3	147.3	-173.7	0	0	0	0	119.8
8	Y	25.8	Very low	27	Very low	214 Å²	214	168.8 Å²	168.8	84%	0.839	83%	0.829	S	S	*	*			trans	76.5	123.7	152.1	-69.9	-44.8	0	0	0	126.9
9	F	25.1	Very low	26.7	Very low	192 Å²	192	168.5 Å²	168.5	84%	0.842	83%	0.831	S	S	*	*			trans	-47.4	155.2	150.1	-79.7	-112.8	0	0	0	115
10	V	25.4	Very low	26.8	Very low	136 Å²	136	165.6 Å²	165.6	82%	0.824	82%	0.823	S	S	*	*				-156.4	141.7	126.5	163.1	0	0	0	0	111.3
11	F	26.9	Very low	26.8	Very low	183 Å²	183	168.8 Å²	168.8	80%	0.803	83%	0.826	S	S	*	*			trans	-24.5	154.5	166.8	-72.8	-100.8	0	0	0	121.4
12	S	25.8	Very low	26.6	Very low	120 Å²	120	163.6 Å²	163.6	84%	0.839	81%	0.808	S	S	*	*			trans	-137.1	138.8	132.1	64.5	0	0	0	0	112.3
13	R	28.7	Very low	26.5	Very low	229 Å²	229	162.7 Å²	162.7	86%	0.864	81%	0.808	S	S	*	*			trans	-105.5	152.3	170.3	-82.6	178.3	167.2	176.5	-3.5	108.6
14	L	25.9	Very low	26.5	Very low	175 Å²	175	167.1 Å²	167.1	92%	0.916	81%	0.814	S	S	*	*			trans	-127.3	124.2	168	-108.1	156.1	0	0	0	111.9
15	Q	26.4	Very low	26.2	Very low	152 Å²	152	167 Å²	167	71%	0.71	82%	0.819	S	S	*	*			trans	-159.6	139.9	176.7	-125.8	-163	34.4	0	0	103
16	R	29.2	Very low	26.2	Very low	188 Å²	188	160.7 Å²	160.7	71%	0.709	81%	0.808	S	S	*	*			cis	-151.9	174.7	16.7	-59.2	166.8	178.4	170	-3.2	108
17	H	24.7	Very low	26.2	Very low	197 Å²	197	160.1 Å²	160.1	91%	0.912	82%	0.816	S	S	*	*				-151.4	137.5	122.7	-111.5	-73.2	0	0	0	111.7
18	F	26.7	Very low	26	Very low	172 Å²	172	158.8 Å²	158.8	75%	0.754	82%	0.824	S	S	*	*			trans	-95.3	149.5	174	-106.6	-99.5	0	0	0	109.8	T20	F18-T20 HydrophobicContact CD1-CG2 4.44Å
19	N	22	Very low	26	Very low	163 Å²	163	152.4 Å²	152.4	87%	0.872	82%	0.824	S	S	*	*			trans	-152.6	149.4	145.9	-131.6	-13.8	0	0	0	110.9
20	T	29.5	Very low	25.9	Very low	109 Å²	109	149.8 Å²	149.8	67%	0.669	83%	0.828	S	S	*	*			trans	-139.1	137	-175.8	48.6	0	0	0	0	111.6	F18	F18-T20 HydrophobicContact CD1-CG2 4.44Å
21	R	25.3	Very low	25.9	Very low	234 Å²	234	154.3 Å²	154.3	88%	0.883	83%	0.83	S	S	*	*			trans	-176.7	112.5	144.4	-106.9	171	-179.5	-171	-0.8	113.8
22	T	27	Very low	25.8	Very low	134 Å²	134	152.7 Å²	152.7	82%	0.822	84%	0.835	S	S	*	*			trans	37.4	123.9	134.2	56.5	0	0	0	0	122.3
23	A	23.7	Very low	25.7	Very low	105 Å²	105	154.4 Å²	154.4	87%	0.868	83%	0.833	S	S	*	*				-161.4	149.3	119.3	0	0	0	0	0	111.7
24	H	27.1	Very low	25.7	Very low	178 Å²	178	149.1 Å²	149.1	82%	0.824	83%	0.831	S	S	*	*			trans	-93.6	151.3	179.1	-78.5	-93.5	0	0	0	112.9
25	T	24.4	Very low	25.6	Very low	144 Å²	144	144.3 Å²	144.3	88%	0.883	82%	0.823	S	S	*	*			trans	-150.3	161.1	138.3	-26.7	0	0	0	0	110.3
26	T	26.4	Very low	25.5	Very low	119 Å²	119	142.2 Å²	142.2	73%	0.73	83%	0.826	S	S	*	*			trans	-133.7	174.9	-154.5	46	0	0	0	0	114.5
27	A	26.8	Very low	25.4	Very low	109 Å²	109	144 Å²	144	90%	0.901	83%	0.833	S	S	*	*			trans	77.8	141.3	172.3	0	0	0	0	0	116.4
28	G	24.1	Very low	25.5	Very low	82 Å²	82	141.6 Å²	141.6	85%	0.845	83%	0.826	S	S	*	*			cis	-172	167.3	-6.7	0	0	0	0	0	108.1
29	G	24.3	Very low	25.4	Very low	80 Å²	80	139.9 Å²	139.9	83%	0.825	82%	0.823	S	S	*	*			cis	121.6	75.9	8	0	0	0	0	0	112.6
30	C	24.1	Very low	25.6	Very low	137 Å²	137	140.2 Å²	140.2	93%	0.926	82%	0.824	S	S	*	*			trans	-158.4	163.5	155.2	-142.1	0	0	0	0	114.5
31	R	25.1	Very low	25.4	Very low	230 Å²	230	141.5 Å²	141.5	87%	0.868	82%	0.823	S	S	*	*			trans	-100.3	154.7	-167.4	-68	169.2	168.8	167.7	-5.9	113
32	V	24.4	Very low	25.5	Very low	150 Å²	150	138 Å²	138	91%	0.909	82%	0.816	S	S	*	*			trans	-76.7	135.6	164.4	177.5	0	0	0	0	109.9
33	I	24.6	Very low	25.6	Very low	155 Å²	155	136.6 Å²	136.6	80%	0.795	81%	0.809	S	S	*	*			trans	-119.3	141.7	171.8	-68.8	177.8	0	0	0	108.7
34	S	27.1	Very low	25.6	Very low	119 Å²	119	139.7 Å²	139.7	83%	0.832	81%	0.81	S	S	*	*			trans	-82.5	139.7	176.1	-179	0	0	0	0	111.6
35	G	24.8	Very low	25.6	Very low	73 Å²	73	137.2 Å²	137.2	75%	0.753	81%	0.81	S	S	*	*			trans	-170.1	138	177.5	0	0	0	0	0	112.2
36	S	25.1	Very low	25.6	Very low	109 Å²	109	133.8 Å²	133.8	76%	0.762	80%	0.804	S	S	*	*			trans	-106.9	152.6	-161.7	-59.6	0	0	0	0	115.6
37	R	26.6	Very low	25.5	Very low	226 Å²	226	133.7 Å²	133.7	85%	0.853	81%	0.807	S	S	*	*			trans	62.7	111.1	136	-91.6	-173.9	-176	-167.6	2.2	120.8
38	L	25.9	Very low	25.3	Very low	146 Å²	146	133 Å²	133	76%	0.764	80%	0.802	S	S	*	*				163.3	135.9	96.7	-89.7	151	0	0	0	115.5
39	L	26	Very low	25.3	Very low	135 Å²	135	134.7 Å²	134.7	71%	0.707	80%	0.796	S	S	*	*			trans	46.2	120.7	146.7	-66.2	169.5	0	0	0	123.5
40	L	25.2	Very low	25.2	Very low	171 Å²	171	135.9 Å²	135.9	90%	0.895	79%	0.79	S	S	*	*				-164.7	172.8	117	-111.4	152.4	0	0	0	111.9
41	Q	25.3	Very low	25.1	Very low	135 Å²	135	134.3 Å²	134.3	63%	0.631	78%	0.779	S	S	*	*			trans	-121.8	171.7	-164.8	-71.7	153.4	-109.9	0	0	111.2
42	H	26.6	Very low	25.1	Very low	161 Å²	161	133.7 Å²	133.7	75%	0.745	78%	0.777	S	S	*	*			cis	-143.8	-156	16	-128	-31.5	0	0	0	111.1
43	P	30.5	Very low	25	Very low	105 Å²	105	133.8 Å²	133.8	68%	0.682	77%	0.773	S	S	*	*			trans	-118.8	163.5	-149	43.2	-28.9	0	0	0	117.5
44	L	23.6	Very low	25.1	Very low	169 Å²	169	132.9 Å²	132.9	89%	0.885	77%	0.774	S	S	*	*			trans	-145	155.7	151.4	-87.8	179.7	0	0	0	110.2
45	P	26.5	Very low	24.9	Very low	127 Å²	127	131.5 Å²	131.5	83%	0.825	76%	0.764	S	S	*	*			trans	-89.3	136	-157.7	33.9	-35	0	0	0	114.6
46	G	23.7	Very low	25.2	Very low	72 Å²	72	133 Å²	133	74%	0.742	76%	0.763	S	S	*	*			trans	-130.4	138.3	174.1	0	0	0	0	0	111.6	A48	G46-A48 PolarHBondContact O-N 3.46Å
47	S	24.4	Very low	25.4	Very low	116 Å²	116	136.5 Å²	136.5	81%	0.811	77%	0.765	S	S	*	*			trans	-43.6	127.6	-173.6	-165.8	0	0	0	0	114.7	V49	S47-V49 PolarHBondContact O-N 2.99Å
48	A	22.7	Very low	25.7	Very low	94 Å²	94	130.8 Å²	130.8	78%	0.777	76%	0.759	S	S	*	*			trans	-76.3	93.6	174.9	0	0	0	0	0	110.5	G46 C50	G46-A48 PolarHBondContact O-N 3.46Å; A48-C50 PolarHBondContact O-N 3.07Å
49	V	24.7	Very low	26.3	Very low	119 Å²	119	129.7 Å²	129.7	72%	0.721	76%	0.759	S	S	*	*			trans	-64.2	102.8	166.6	-179.2	0	0	0	0	108.1	S47 C51	S47-V49 PolarHBondContact O-N 2.99Å; V49-C51 VanDerWaalsContact C-N 3.27Å; V49-C51 PolarHBondContact O-N 2.62Å
50	C	21.8	Very low	27.1	Very low	104 Å²	104	128.1 Å²	128.1	70%	0.703	76%	0.756	S	S	*	*			trans	-76.3	80.5	177.4	-174.9	0	0	0	0	109.8	A48 R52	A48-C50 PolarHBondContact O-N 3.07Å; C50-R52 PolarHBondContact O-N 3.33Å
51	C	22.7	Very low	28.5	Very low	105 Å²	105	124.3 Å²	124.3	71%	0.709	74%	0.742	S	S	*	*			trans	-63.5	83.4	169.8	-65.5	0	0	0	0	110.4	V49 N53	V49-C51 VanDerWaalsContact C-N 3.27Å; V49-C51 PolarHBondContact O-N 2.62Å; C51-N53 PolarHBondContact O-N 2.92Å
52	R	24.3	Very low	30.4	Very low	216 Å²	216	127 Å²	127	82%	0.815	75%	0.751	S	S	*	*			trans	-67.1	111.6	161.1	-79.8	-175.9	173	175.2	-1.5	107.2	C50 V54	C50-R52 PolarHBondContact O-N 3.33Å; R52-V54 PolarHBondContact O-N 2.78Å
53	N	22.4	Very low	32.5	Very low	153 Å²	153	123.2 Å²	123.2	82%	0.818	75%	0.749	S	S	*	*			trans	-57.6	103.8	166.4	-76.4	-23.3	0	0	0	108.4	C51 S55	C51-N53 PolarHBondContact O-N 2.92Å; N53-S55 PolarHBondContact O-N 3.39Å
54	V	26.4	Very low	34.7	Very low	135 Å²	135	119.8 Å²	119.8	82%	0.818	73%	0.726	S	S	*	*			trans	-66.2	93.4	164.5	179.6	0	0	0	0	106	R52 S56	R52-V54 PolarHBondContact O-N 2.78Å; V54-S56 VanDerWaalsContact C-N 3.27Å; V54-S56 PolarHBondContact O-N 3.48Å
55	S	24.7	Very low	37.6	Very low	91 Å²	91	115.5 Å²	115.5	64%	0.636	70%	0.704	S	S	*	*			trans	-66.4	91	174	167.3	0	0	0	0	107.8	N53 K57	N53-S55 PolarHBondContact O-N 3.39Å; S55-K57 PolarHBondContact O-N 2.75Å
56	S	30.3	Very low	40.3	Very low	104 Å²	104	110.4 Å²	110.4	73%	0.727	67%	0.671	S	S	*	*			trans	-60.6	83.9	169.7	58.5	0	0	0	0	109.4	V54 S58	V54-S56 VanDerWaalsContact C-N 3.27Å; V54-S56 PolarHBondContact O-N 3.48Å; S56-S58 PolarHBondContact O-N 2.91Å
57	K	28.1	Very low	43.3	Very low	182 Å²	182	110.4 Å²	110.4	79%	0.791	66%	0.659	S	S	*	*			trans	-70.9	78.7	165.5	-74.2	-176.8	178.3	176.6	0	106.9	S55 V59	S55-K57 PolarHBondContact O-N 2.75Å; K57-V59 VanDerWaalsContact C-N 3.32Å; K57-V59 PolarHBondContact O-N 3.15Å
58	S	34	Very low	46.3	Very low	106 Å²	106	106.4 Å²	106.4	74%	0.741	63%	0.629	S	S	*	*			trans	-57.9	101.7	164.1	55.2	0	0	0	0	107	S56	S56-S58 PolarHBondContact O-N 2.91Å
59	V	37.6	Very low	49.3	Very low	124 Å²	124	102.2 Å²	102.2	75%	0.752	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-56.6	128.6	169.6	-179.6	0	0	0	0	105.8	K57	K57-V59 VanDerWaalsContact C-N 3.32Å; K57-V59 PolarHBondContact O-N 3.15Å
60	P	42.8	Very low	52.2	Low	101 Å²	101	100.9 Å²	100.9	66%	0.656	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-55.6	138.8	177.2	23.7	-33.3	0	0	0	108.6	K62	P60-K62 PolarHBondContact O-N 3.09Å; P60-K62 VanDerWaalsContact O-N 3.13Å
61	P	56.1	Low	55.3	Low	92 Å²	92	98.8 Å²	98.8	60%	0.597	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-54	125.7	-173.3	21.4	-32.9	0	0	0	109.4	A63	P61-A63 PolarHBondContact O-N 3.33Å
62	K	64	Low	58.3	Low	190 Å²	190	95.7 Å²	95.7	83%	0.826	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-53.7	133.2	179.9	-167.3	-179.7	179	-171.7	0	107.9	P60	P60-K62 PolarHBondContact O-N 3.09Å; P60-K62 VanDerWaalsContact O-N 3.13Å
63	A	70.3	Confident	60.9	Low	83 Å²	83	90.7 Å²	90.7	69%	0.686	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-55.8	135.1	175.2	0	0	0	0	0	108.6	P61 D65	P61-A63 PolarHBondContact O-N 3.33Å; A63-D65 PolarHBondContact O-N 2.71Å
64	P	77	Confident	63.5	Low	33 Å²	33	86 Å²	86	21%	0.214	52%	0.521	C	S	.	.	P	Polyproline II helix	trans	-60.5	137.8	-175.2	26.7	-35	0	0	0	109.5	T66 F69 M180 L543	P64-T66 VanDerWaalsContact C-N 3.34Å; P64-T66 PolarHBondContact O-N 3.12Å; P64-F69 HydrophobicContact CB-CZ 4.1Å; P64-F69 HydrophobicContact CG-CZ 4.49Å; P64-M180 HydrophobicContact CB-SD 4.41Å; P64-L543 HydrophobicContact CB-CD2 3.8Å
65	D	84.3	Confident	65.4	Low	78 Å²	78	88.2 Å²	88.2	42%	0.417	52%	0.519	S	S	.	.			trans	-70.4	95.2	174.3	-170.6	-15.6	0	0	0	109.3	A63 S67 L68 S542	A63-D65 PolarHBondContact O-N 2.71Å; D65-S67 VanDerWaalsContact CG-OG 3.25Å; D65-S67 PolarHBondContact O-N 3.49Å; D65-S67 VanDerWaalsContact O-N 3.13Å; D65-S67 WeakPolarHBondContact OD1-CB 3.24Å; D65-S67 PolarHBondContact OD1-N 2.96Å; D65-S67 PolarHBondContact OD1-OG 2.95Å; D65-S67 PolarHBondContact OD2-OG 2.96Å; D65-L68 HydrophobicContact CB-CD1 4.16Å; D65-L68 HydrophobicContact CB-CG 4.26Å; D65-L68 PolarHBondContact O-N 3.47Å; D65-S542 WeakPolarHBondContact CB-OG 3.49Å; D65-S542 PolarHBondContact N-OG 2.95Å
66	T	84.8	Confident	67.1	Low	21 Å²	21	88.7 Å²	88.7	13%	0.129	52%	0.518	C	S	.	.	G	3₁₀ helix	trans	-60.7	-21.7	-179.6	66.9	0	0	0	0	112	P64 L68 F69 D120 R122 L123	P64-T66 VanDerWaalsContact C-N 3.34Å; P64-T66 PolarHBondContact O-N 3.12Å; T66-L68 PolarHBondContact O-N 2.92Å; T66-F69 HydrophobicContact CG2-CE2 4.33Å; T66-F69 VanDerWaalsContact O-CB 3.29Å; T66-F69 WeakPolarHBondContact O-CB 3.19Å; T66-F69 WeakPolarHBondContact O-CG 3.18Å; T66-F69 PolarHBondContact O-N 3.23Å; T66-D120 WeakPolarHBondContact CB-OD2 3.29Å; T66-D120 HydrophobicContact CG2-CB 4.37Å; T66-D120 WeakPolarHBondContact CG2-OD2 3.3Å; T66-D120 PolarHBondContact OG1-OD2 3.34Å; T66-R122 PolarHBondContact O-NH2 3.23Å; T66-L123 HydrophobicContact CG2-CD1 3.81Å; T66-L123 HydrophobicContact CG2-CG 4.47Å
67	S	86.8	Confident	68.3	Low	71 Å²	71	89.7 Å²	89.7	50%	0.497	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-62.3	-25.7	-177.7	74.1	0	0	0	0	112.9	D65 F69	D65-S67 VanDerWaalsContact CG-OG 3.25Å; D65-S67 PolarHBondContact O-N 3.49Å; D65-S67 VanDerWaalsContact O-N 3.13Å; D65-S67 WeakPolarHBondContact OD1-CB 3.24Å; D65-S67 PolarHBondContact OD1-N 2.96Å; D65-S67 PolarHBondContact OD1-OG 2.95Å; D65-S67 PolarHBondContact OD2-OG 2.96Å; S67-F69 PolarHBondContact O-N 2.85Å
68	L	85.8	Confident	69.6	Low	33 Å²	33	86.8 Å²	86.8	17%	0.173	51%	0.509	C	S	.	.	G	3₁₀ helix	trans	-70.9	-13.2	175.1	-55.2	178.1	0	0	0	113.2	D65 T66 V70 N535 D538 I539 S542	D65-L68 HydrophobicContact CB-CD1 4.16Å; D65-L68 HydrophobicContact CB-CG 4.26Å; D65-L68 PolarHBondContact O-N 3.47Å; T66-L68 PolarHBondContact O-N 2.92Å; L68-V70 PolarHBondContact O-N 3.34Å; L68-V70 VanDerWaalsContact O-N 3.16Å; L68-N535 PolarHBondContact O-ND2 3.16Å; L68-D538 HydrophobicContact CD1-CB 4.08Å; L68-D538 WeakPolarHBondContact CD1-O 3.24Å; L68-D538 HydrophobicContact CD2-CB 3.93Å; L68-I539 HydrophobicContact CB-CG1 4.15Å; L68-S542 VanDerWaalsContact CD1-CB 3.5Å
69	F	86.4	Confident	70.6	Confident	6 Å²	6	83.7 Å²	83.7	3%	0.026	49%	0.486	C	S	.	.			trans	-83.1	99.5	-175.4	-56.6	1.7	0	0	0	109.6	P64 T66 S67 R122 L123 F174 M176 M180	P64-F69 HydrophobicContact CB-CZ 4.1Å; P64-F69 HydrophobicContact CG-CZ 4.49Å; T66-F69 HydrophobicContact CG2-CE2 4.33Å; T66-F69 VanDerWaalsContact O-CB 3.29Å; T66-F69 WeakPolarHBondContact O-CB 3.19Å; T66-F69 WeakPolarHBondContact O-CG 3.18Å; T66-F69 PolarHBondContact O-N 3.23Å; S67-F69 PolarHBondContact O-N 2.85Å; F69-R122 PolarHBondContact O-NH2 3.41Å; F69-R122 VanDerWaalsContact O-NH2 3.07Å; F69-L123 HydrophobicContact CB-CD2 4Å; F69-L123 HydrophobicContact CD2-CD1 3.7Å; F69-L123 HydrophobicContact CD2-CD2 4.05Å; F69-L123 HydrophobicContact CE2-CD1 4.05Å; F69-F174 HydrophobicContact CB-CD1 4.06Å; F69-F174 HydrophobicContact CB-CE1 4.4Å; F69-M176 HydrophobicContact CB-CE 3.8Å; F69-M176 HydrophobicContact CD1-CE 3.31Å; F69-M176 HydrophobicContact CD1-SD 3.43Å; F69-M176 WeakPolarHBondContact CD1-SD 3.21Å; F69-M176 HydrophobicContact CE1-CE 4.05Å; F69-M176 HydrophobicContact CE1-SD 3.49Å; F69-M176 WeakPolarHBondContact CE1-SD 3.48Å; F69-M176 HydrophobicContact CE2-CB 4.47Å; F69-M176 HydrophobicContact CG-CE 3.61Å; F69-M176 HydrophobicContact CG-SD 4.08Å; F69-M176 HydrophobicContact CZ-SD 4.18Å; F69-M180 HydrophobicContact CE1-CE 4.45Å; F69-M180 HydrophobicContact CE2-CE 4.02Å; F69-M180 HydrophobicContact CZ-CE 3.55Å
70	V	85.2	Confident	71.4	Confident	91 Å²	91	83 Å²	83	55%	0.552	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-78.1	127.9	175.5	-176.7	0	0	0	0	109.2	L68 V72	L68-V70 PolarHBondContact O-N 3.34Å; L68-V70 VanDerWaalsContact O-N 3.16Å; V70-V72 PolarHBondContact O-N 2.66Å
71	P	86.4	Confident	72	Confident	60 Å²	60	83.7 Å²	83.7	39%	0.39	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-71.3	127.2	179.1	27.7	-33.8	0	0	0	111.7	I173 F174	P71-I173 HydrophobicContact CB-CG2 3.39Å; P71-F174 HydrophobicContact CB-CE1 3.74Å; P71-F174 HydrophobicContact CB-CZ 3.99Å; P71-F174 HydrophobicContact CG-CE1 4.49Å
72	V	86.7	Confident	72.1	Confident	39 Å²	39	80.2 Å²	80.2	24%	0.236	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-72.7	139.4	173.8	-177.4	0	0	0	0	110.1	V70 L74 I173 P175 D530	V70-V72 PolarHBondContact O-N 2.66Å; V72-L74 PolarHBondContact O-N 2.79Å; V72-I173 PolarHBondContact N-O 2.96Å; V72-P175 HydrophobicContact CG2-CG 4.17Å; V72-D530 HydrophobicContact CG1-CB 4.36Å; V72-D530 HydrophobicContact CG2-CB 4.19Å
73	S	79.4	Confident	72	Confident	112 Å²	112	75.4 Å²	75.4	78%	0.783	46%	0.459	S	S	*	.			trans	-81.2	112	173.3	-65	0	0	0	0	110.2	K75	S73-K75 PolarHBondContact O-N 3.49Å
74	L	76.9	Confident	72	Confident	55 Å²	55	74 Å²	74	29%	0.288	44%	0.442	S	S	.	.			trans	-67.4	128.5	177.4	-55.3	-179	0	0	0	110.3	V72 T76 H169 Q172 I173	V72-L74 PolarHBondContact O-N 2.79Å; L74-T76 PolarHBondContact O-N 2.75Å; L74-H169 WeakPolarHBondContact CD1-CE1 3.41Å; L74-Q172 HydrophobicContact CD2-CB 3.58Å; L74-I173 HydrophobicContact CD1-CG1 4.16Å; L74-I173 HydrophobicContact CD2-CG1 4.46Å; L74-I173 HydrophobicContact CG-CG1 4.29Å
75	K	65.6	Low	71.6	Confident	180 Å²	180	72.5 Å²	72.5	78%	0.783	43%	0.432	S	S	*	.			trans	-70.8	124.9	169.5	-67.1	176.8	-176.4	169.9	0	108.5	S73 D77	S73-K75 PolarHBondContact O-N 3.49Å; K75-D77 PolarHBondContact O-N 2.75Å; K75-D77 VanDerWaalsContact O-N 3.07Å
76	T	60.9	Low	71	Confident	101 Å²	101	70.9 Å²	70.9	62%	0.62	43%	0.43	S	S	*	.			trans	-83.2	69.7	172.7	55.6	0	0	0	0	108.9	L74 D78 M138	L74-T76 PolarHBondContact O-N 2.75Å; T76-D78 PolarHBondContact O-N 2.69Å; T76-M138 HydrophobicContact CG2-CE 3.85Å; T76-M138 HydrophobicContact CG2-SD 3.81Å
77	D	54.9	Low	70.5	Confident	125 Å²	125	76.6 Å²	76.6	67%	0.668	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-70.7	123.4	166.2	-63.6	-31	0	0	0	107.1	K75 P79	K75-D77 PolarHBondContact O-N 2.75Å; K75-D77 VanDerWaalsContact O-N 3.07Å; D77-P79 WeakPolarHBondContact O-CD 3.31Å
78	D	55	Low	70	Confident	121 Å²	121	78.8 Å²	78.8	65%	0.647	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-59.6	119.4	175.6	-96.5	-52.1	0	0	0	108.3	T76 A80 T139 S140	T76-D78 PolarHBondContact O-N 2.69Å; D78-A80 PolarHBondContact O-N 3.19Å; D78-T139 PolarHBondContact OD1-OG1 3.22Å; D78-S140 PolarHBondContact OD1-OG 2.89Å
79	P	55.5	Low	69.7	Low	41 Å²	41	79.3 Å²	79.3	27%	0.266	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-61.3	134.5	179	23.7	-33.9	0	0	0	110.7	D77 D81 G82 S140	D77-P79 WeakPolarHBondContact O-CD 3.31Å; P79-D81 PolarHBondContact O-N 2.92Å; P79-G82 WeakPolarHBondContact O-CA 3.34Å; P79-G82 PolarHBondContact O-N 2.94Å; P79-S140 VanDerWaalsContact CD-OG 3.26Å; P79-S140 WeakPolarHBondContact CD-OG 3.12Å; P79-S140 VanDerWaalsContact CG-OG 3.3Å; P79-S140 WeakPolarHBondContact CG-OG 3.31Å
80	A	54.5	Low	69.3	Low	110 Å²	110	85.5 Å²	85.5	91%	0.909	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-23.5	178.5	0	0	0	0	0	113.4	D78	D78-A80 PolarHBondContact O-N 3.19Å
81	D	56.5	Low	69.1	Low	115 Å²	115	86.6 Å²	86.6	62%	0.615	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	16.4	178.3	-55	-43.6	0	0	0	113.4	P79 T83 V84	P79-D81 PolarHBondContact O-N 2.92Å; D81-T83 PolarHBondContact O-N 2.73Å; D81-V84 HydrophobicContact CB-CG2 4.24Å; D81-V84 WeakPolarHBondContact O-CB 3.32Å; D81-V84 WeakPolarHBondContact O-CG2 3.01Å; D81-V84 PolarHBondContact O-N 2.8Å
82	G	56.6	Low	68.9	Low	20 Å²	20	85.3 Å²	85.3	21%	0.206	49%	0.493	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-15.4	-158.5	0	0	0	0	0	118.7	P79 S140	P79-G82 WeakPolarHBondContact O-CA 3.34Å; P79-G82 PolarHBondContact O-N 2.94Å; G82-S140 VanDerWaalsContact CA-CB 3.49Å; G82-S140 WeakPolarHBondContact O-CB 3.5Å
83	T	61.9	Low	68.9	Low	88 Å²	88	87.1 Å²	87.1	54%	0.54	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-16.1	175.4	55.9	0	0	0	0	114.3	D81 G85 A86 E87	D81-T83 PolarHBondContact O-N 2.73Å; T83-G85 VanDerWaalsContact C-N 3.33Å; T83-G85 PolarHBondContact O-N 3.08Å; T83-A86 PolarHBondContact O-N 2.66Å; T83-E87 WeakPolarHBondContact CB-OE1 3.23Å; T83-E87 WeakPolarHBondContact O-CG 3.48Å; T83-E87 PolarHBondContact O-N 3.45Å; T83-E87 PolarHBondContact OG1-OE1 2.88Å
84	V	71	Confident	69.3	Low	55 Å²	55	87.5 Å²	87.5	33%	0.333	49%	0.489	S	S	.	.	H	α-helix	trans	-59.6	-40	-170.4	178.4	0	0	0	0	112.4	D81 A86 E87 L88 A143	D81-V84 HydrophobicContact CB-CG2 4.24Å; D81-V84 WeakPolarHBondContact O-CB 3.32Å; D81-V84 WeakPolarHBondContact O-CG2 3.01Å; D81-V84 PolarHBondContact O-N 2.8Å; V84-A86 VanDerWaalsContact C-N 3.35Å; V84-A86 PolarHBondContact O-N 2.78Å; V84-E87 PolarHBondContact O-N 2.83Å; V84-L88 HydrophobicContact CG1-CD1 3.77Å; V84-L88 HydrophobicContact CG1-CG 4.3Å; V84-L88 WeakPolarHBondContact O-CB 3.49Å; V84-L88 VanDerWaalsContact O-CG 3.26Å; V84-L88 WeakPolarHBondContact O-CG 3.43Å; V84-L88 PolarHBondContact O-N 3.47Å; V84-A143 HydrophobicContact CB-CB 4.37Å; V84-A143 HydrophobicContact CG1-CB 4.27Å
85	G	67.4	Low	69.8	Low	0 Å²	0	90 Å²	90	0%	0	50%	0.503	C	S	.	.	H	α-helix	trans	-63	-38.8	177.6	0	0	0	0	0	113.6	T83 T89 H146	T83-G85 VanDerWaalsContact C-N 3.33Å; T83-G85 PolarHBondContact O-N 3.08Å; G85-T89 PolarHBondContact O-N 3.1Å; G85-T89 PolarHBondContact O-OG1 2.86Å; G85-H146 PolarHBondContact O-ND1 2.97Å; G85-H146 VanDerWaalsContact O-ND1 3.12Å
86	A	72.1	Confident	70.9	Confident	45 Å²	45	85.1 Å²	85.1	37%	0.372	48%	0.483	S	S	.	.	H	α-helix	trans	-77.4	-31.6	178.5	0	0	0	0	0	112.4	T83 V84	T83-A86 PolarHBondContact O-N 2.66Å; V84-A86 VanDerWaalsContact C-N 3.35Å; V84-A86 PolarHBondContact O-N 2.78Å
87	E	74.9	Confident	72.3	Confident	140 Å²	140	80.5 Å²	80.5	65%	0.654	45%	0.454	S	S	*	.	H	α-helix	trans	-68.8	-33.9	173.4	-71.7	169.6	-147.9	0	0	112.7	T83 V84	T83-E87 WeakPolarHBondContact CB-OE1 3.23Å; T83-E87 WeakPolarHBondContact O-CG 3.48Å; T83-E87 PolarHBondContact O-N 3.45Å; T83-E87 PolarHBondContact OG1-OE1 2.88Å; V84-E87 PolarHBondContact O-N 2.83Å
88	L	75.4	Confident	74	Confident	118 Å²	118	77.6 Å²	77.6	62%	0.618	44%	0.438	S	S	*	.	H	α-helix	trans	-82	-15.7	178.7	-70.1	173	0	0	0	114.2	V84 I147	V84-L88 HydrophobicContact CG1-CD1 3.77Å; V84-L88 HydrophobicContact CG1-CG 4.3Å; V84-L88 WeakPolarHBondContact O-CB 3.49Å; V84-L88 VanDerWaalsContact O-CG 3.26Å; V84-L88 WeakPolarHBondContact O-CG 3.43Å; V84-L88 PolarHBondContact O-N 3.47Å; L88-I147 HydrophobicContact CD1-CD1 4.31Å
89	T	79.9	Confident	75.8	Confident	44 Å²	44	77 Å²	77	27%	0.27	43%	0.43	S	S	.	.	S	Bend	trans	-137.3	-142.3	-173.4	63	0	0	0	0	111.9	G85 H146 I147	G85-T89 PolarHBondContact O-N 3.1Å; G85-T89 PolarHBondContact O-OG1 2.86Å; T89-H146 PolarHBondContact OG1-CE1 3.38Å; T89-H146 VanDerWaalsContact OG1-CE1 3.22Å; T89-H146 PolarHBondContact OG1-ND1 2.61Å; T89-I147 HydrophobicContact CG2-CB 4.36Å; T89-I147 HydrophobicContact CG2-CG1 3.76Å; T89-I147 HydrophobicContact CG2-CG2 4.46Å
90	Q	79.1	Confident	77.6	Confident	136 Å²	136	75.5 Å²	75.5	64%	0.636	42%	0.42	S	S	*	.			trans	-119.9	148.2	173.2	-65.9	-173.3	16.9	0	0	109.8	L92 H146 S150	Q90-L92 PolarHBondContact O-N 3.29Å; Q90-H146 PolarHBondContact O-CE1 2.88Å; Q90-S150 PolarHBondContact O-OG 2.71Å
91	P	80.2	Confident	79.5	Confident	114 Å²	114	70.3 Å²	70.3	74%	0.74	38%	0.377	S	S	*	.			trans	-59.5	130.9	176.9	25.3	-34.7	0	0	0	111.1	D93	P91-D93 PolarHBondContact O-N 3.24Å
92	L	82.9	Confident	81.3	Confident	33 Å²	33	67.6 Å²	67.6	17%	0.173	36%	0.363	C	S	.	.			trans	-68.5	124.2	-174.5	-61.1	170.9	0	0	0	112.3	Q90 K94 L97 L141 L149	Q90-L92 PolarHBondContact O-N 3.29Å; L92-K94 PolarHBondContact O-N 2.69Å; L92-L97 HydrophobicContact CB-CD2 4.22Å; L92-L97 HydrophobicContact CD1-CD2 4.11Å; L92-L141 HydrophobicContact CD1-CD1 4.06Å; L92-L149 HydrophobicContact CD1-CB 4Å; L92-L149 HydrophobicContact CD1-CD1 4.23Å; L92-L149 HydrophobicContact CD2-CB 4.02Å
93	D	86.5	Confident	83.1	Confident	77 Å²	77	72.5 Å²	72.5	41%	0.412	38%	0.378	S	S	.	.			trans	-70.2	113.9	166.4	179.3	7.5	0	0	0	110	P91 N95 E96 L97	P91-D93 PolarHBondContact O-N 3.24Å; D93-N95 PolarHBondContact O-N 2.71Å; D93-N95 VanDerWaalsContact O-N 3.15Å; D93-N95 WeakPolarHBondContact OD1-CB 3.16Å; D93-N95 PolarHBondContact OD1-N 2.76Å; D93-N95 PolarHBondContact OD1-ND2 3.21Å; D93-E96 PolarHBondContact O-N 2.78Å; D93-L97 VanDerWaalsContact O-CB 3.27Å; D93-L97 WeakPolarHBondContact O-CB 3.28Å; D93-L97 PolarHBondContact O-N 3.39Å
94	K	86.6	Confident	84.6	Confident	119 Å²	119	68.3 Å²	68.3	52%	0.517	35%	0.352	S	S	.	.	H	α-helix	trans	-58.4	-26.2	178.8	-58.6	-163.3	178.1	-158.9	0	112.9	L92 L98 L136	L92-K94 PolarHBondContact O-N 2.69Å; K94-L98 VanDerWaalsContact O-CB 3.29Å; K94-L98 WeakPolarHBondContact O-CB 3.45Å; K94-L98 PolarHBondContact O-N 2.79Å; K94-L136 HydrophobicContact CB-CD2 4.27Å; K94-L136 PolarHBondContact NZ-O 3.29Å
95	N	88.1	Confident	85.8	Confident	109 Å²	109	68.8 Å²	68.8	58%	0.583	35%	0.349	S	S	*	.	H	α-helix	trans	-74.8	-47.4	178.8	-61.6	-67.3	0	0	0	112.6	D93 L98 K99	D93-N95 PolarHBondContact O-N 2.71Å; D93-N95 VanDerWaalsContact O-N 3.15Å; D93-N95 WeakPolarHBondContact OD1-CB 3.16Å; D93-N95 PolarHBondContact OD1-N 2.76Å; D93-N95 PolarHBondContact OD1-ND2 3.21Å; N95-L98 PolarHBondContact O-N 2.99Å; N95-K99 WeakPolarHBondContact O-CG 3.43Å; N95-K99 PolarHBondContact O-N 2.88Å
96	E	88.4	Confident	87.1	Confident	77 Å²	77	76.5 Å²	76.5	36%	0.36	38%	0.382	S	S	.	.	H	α-helix	trans	-66.6	-41.4	174.3	-67	-49.9	133.3	0	0	111.2	D93 L98 K99 V100	D93-E96 PolarHBondContact O-N 2.78Å; E96-L98 VanDerWaalsContact C-N 3.31Å; E96-L98 PolarHBondContact O-N 3.22Å; E96-K99 CarbonylContact O-C 3.52Å; E96-K99 WeakPolarHBondContact O-CA 3.48Å; E96-K99 WeakPolarHBondContact O-CB 3.44Å; E96-K99 PolarHBondContact O-N 3.39Å; E96-K99 IonicContact OE1-NZ 3.44Å; E96-K99 PolarHBondContact OE1-NZ 3.24Å; E96-K99 WeakPolarHBondContact OE2-CD 3.36Å; E96-K99 IonicContact OE2-NZ 2.61Å; E96-V100 WeakPolarHBondContact O-CG2 3.41Å; E96-V100 PolarHBondContact O-N 3.48Å
97	L	90.2	Very high	88.2	Confident	3 Å²	3	77.7 Å²	77.7	2%	0.016	38%	0.377	C	S	.	.	H	α-helix	trans	-57.7	-42.2	175.5	-175.6	51.8	0	0	0	112.2	L92 D93 K99 V100 L101 V135 L136 L149	L92-L97 HydrophobicContact CB-CD2 4.22Å; L92-L97 HydrophobicContact CD1-CD2 4.11Å; D93-L97 VanDerWaalsContact O-CB 3.27Å; D93-L97 WeakPolarHBondContact O-CB 3.28Å; D93-L97 PolarHBondContact O-N 3.39Å; L97-K99 VanDerWaalsContact C-N 3.34Å; L97-K99 PolarHBondContact O-N 3.26Å; L97-V100 PolarHBondContact O-N 2.9Å; L97-L101 HydrophobicContact CD1-CD1 4.3Å; L97-L101 HydrophobicContact CD1-CG 4.33Å; L97-L101 HydrophobicContact CG-CD1 4.25Å; L97-L101 VanDerWaalsContact O-CG 3.3Å; L97-L101 WeakPolarHBondContact O-CG 3.5Å; L97-L101 PolarHBondContact O-N 3.08Å; L97-V135 HydrophobicContact CD1-CG1 3.92Å; L97-V135 HydrophobicContact CD2-CG1 3.61Å; L97-V135 HydrophobicContact CG-CG1 3.92Å; L97-L136 HydrophobicContact CB-CD2 4.45Å; L97-L136 HydrophobicContact CD2-CD2 4.13Å; L97-L136 HydrophobicContact CG-CD2 4.13Å; L97-L149 HydrophobicContact CD1-CB 4.21Å; L97-L149 HydrophobicContact CD1-CD1 4.02Å; L97-L149 HydrophobicContact CD1-CD2 3.74Å; L97-L149 HydrophobicContact CD1-CG 4.2Å
98	L	92.3	Very high	89.1	Confident	64 Å²	64	78.9 Å²	78.9	34%	0.335	38%	0.38	S	S	.	.	H	α-helix	trans	-63.5	-36.7	173.3	179.4	61.9	0	0	0	112.5	K94 N95 E96 N102 L136	K94-L98 VanDerWaalsContact O-CB 3.29Å; K94-L98 WeakPolarHBondContact O-CB 3.45Å; K94-L98 PolarHBondContact O-N 2.79Å; N95-L98 PolarHBondContact O-N 2.99Å; E96-L98 VanDerWaalsContact C-N 3.31Å; E96-L98 PolarHBondContact O-N 3.22Å; L98-N102 WeakPolarHBondContact CD1-ND2 3.5Å; L98-N102 VanDerWaalsContact O-CB 3.29Å; L98-N102 WeakPolarHBondContact O-CB 3.27Å; L98-N102 PolarHBondContact O-N 2.89Å; L98-N102 PolarHBondContact O-ND2 3.43Å; L98-L136 HydrophobicContact CD1-CD1 4.08Å
99	K	92.4	Very high	89.9	Confident	108 Å²	108	78.1 Å²	78.1	47%	0.47	37%	0.374	S	S	.	.	H	α-helix	trans	-66.4	-43	173.9	-66.6	168.1	-170.9	170.9	0	111.3	N95 E96 L97 N102 K103	N95-K99 WeakPolarHBondContact O-CG 3.43Å; N95-K99 PolarHBondContact O-N 2.88Å; E96-K99 CarbonylContact O-C 3.52Å; E96-K99 WeakPolarHBondContact O-CA 3.48Å; E96-K99 WeakPolarHBondContact O-CB 3.44Å; E96-K99 PolarHBondContact O-N 3.39Å; E96-K99 IonicContact OE1-NZ 3.44Å; E96-K99 PolarHBondContact OE1-NZ 3.24Å; E96-K99 WeakPolarHBondContact OE2-CD 3.36Å; E96-K99 IonicContact OE2-NZ 2.61Å; L97-K99 VanDerWaalsContact C-N 3.34Å; L97-K99 PolarHBondContact O-N 3.26Å; K99-N102 PolarHBondContact O-N 2.92Å; K99-K103 WeakPolarHBondContact O-CG 3.28Å; K99-K103 PolarHBondContact O-N 2.92Å
100	V	93.1	Very high	90.5	Very high	11 Å²	11	76.6 Å²	76.6	7%	0.067	36%	0.364	C	S	.	.	H	α-helix	trans	-60.4	-51.6	176.9	169.8	0	0	0	0	110.9	E96 L97 N102 K103 F104 I152 I162	E96-V100 WeakPolarHBondContact O-CG2 3.41Å; E96-V100 PolarHBondContact O-N 3.48Å; L97-V100 PolarHBondContact O-N 2.9Å; V100-N102 VanDerWaalsContact C-N 3.33Å; V100-N102 PolarHBondContact O-N 3.5Å; V100-K103 WeakPolarHBondContact O-CB 3.35Å; V100-K103 PolarHBondContact O-N 2.9Å; V100-F104 PolarHBondContact O-N 3.22Å; V100-I152 HydrophobicContact CB-CG2 4.47Å; V100-I152 HydrophobicContact CG1-CG2 3.57Å; V100-I152 HydrophobicContact CG2-CG2 3.99Å; V100-I162 HydrophobicContact CG1-CD1 3.55Å
101	L	94	Very high	91.2	Very high	0 Å²	0	73.9 Å²	73.9	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-61.5	-39.5	178.6	-67.3	170.5	0	0	0	112.2	L97 K103 F104 Y105 F128 F131 R132 V135	L97-L101 HydrophobicContact CD1-CD1 4.3Å; L97-L101 HydrophobicContact CD1-CG 4.33Å; L97-L101 HydrophobicContact CG-CD1 4.25Å; L97-L101 VanDerWaalsContact O-CG 3.3Å; L97-L101 WeakPolarHBondContact O-CG 3.5Å; L97-L101 PolarHBondContact O-N 3.08Å; L101-K103 VanDerWaalsContact C-N 3.33Å; L101-K103 PolarHBondContact O-N 3.21Å; L101-F104 PolarHBondContact O-N 2.69Å; L101-Y105 PolarHBondContact O-N 2.96Å; L101-F128 HydrophobicContact CB-CE2 4.16Å; L101-F128 HydrophobicContact CB-CZ 4.07Å; L101-F128 WeakPolarHBondContact O-CE2 3.38Å; L101-F128 VanDerWaalsContact O-CZ 3.26Å; L101-F128 WeakPolarHBondContact O-CZ 3.38Å; L101-F131 HydrophobicContact CD2-CD1 4.26Å; L101-F131 HydrophobicContact CD2-CE1 3.89Å; L101-R132 HydrophobicContact CD1-CB 4.42Å; L101-R132 HydrophobicContact CD1-CG 4Å; L101-V135 HydrophobicContact CD1-CB 4.29Å; L101-V135 HydrophobicContact CD1-CG1 3.92Å
102	N	93.9	Very high	91.8	Very high	59 Å²	59	74.9 Å²	74.9	32%	0.316	34%	0.344	S	S	.	.	H	α-helix	trans	-69.1	-26.7	175.3	-75.4	-38.8	0	0	0	113.5	L98 K99 V100 K106	L98-N102 WeakPolarHBondContact CD1-ND2 3.5Å; L98-N102 VanDerWaalsContact O-CB 3.29Å; L98-N102 WeakPolarHBondContact O-CB 3.27Å; L98-N102 PolarHBondContact O-N 2.89Å; L98-N102 PolarHBondContact O-ND2 3.43Å; K99-N102 PolarHBondContact O-N 2.92Å; V100-N102 VanDerWaalsContact C-N 3.33Å; V100-N102 PolarHBondContact O-N 3.5Å; N102-K106 WeakPolarHBondContact O-CG 3.49Å
103	K	94	Very high	92.2	Very high	122 Å²	122	76.3 Å²	76.3	53%	0.53	35%	0.351	S	S	.	.	H	α-helix	trans	-71.3	-48.4	169.6	-73.7	172.9	-177.5	175.1	0	110.4	K99 V100 L101 Y105 K106 R107 I159	K99-K103 WeakPolarHBondContact O-CG 3.28Å; K99-K103 PolarHBondContact O-N 2.92Å; V100-K103 WeakPolarHBondContact O-CB 3.35Å; V100-K103 PolarHBondContact O-N 2.9Å; L101-K103 VanDerWaalsContact C-N 3.33Å; L101-K103 PolarHBondContact O-N 3.21Å; K103-Y105 PolarHBondContact O-N 2.77Å; K103-K106 PolarHBondContact O-N 3.16Å; K103-K106 VanDerWaalsContact O-N 3.08Å; K103-R107 PolarHBondContact O-N 2.89Å; K103-I159 HydrophobicContact CB-CD1 3.92Å; K103-I159 HydrophobicContact CD-CD1 3.69Å; K103-I159 HydrophobicContact CG-CD1 4.46Å
104	F	95.1	Very high	92.4	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-51.7	-52	176.3	174.5	-96	0	0	0	111.7	V100 L101 K106 R107 M110 F128 I159 I162 Y163 F166	V100-F104 PolarHBondContact O-N 3.22Å; L101-F104 PolarHBondContact O-N 2.69Å; F104-K106 PolarHBondContact O-N 2.68Å; F104-K106 VanDerWaalsContact O-N 3.12Å; F104-R107 PolarHBondContact O-N 3.4Å; F104-R107 VanDerWaalsContact O-N 3.09Å; F104-M110 HydrophobicContact CD2-CG 4.02Å; F104-M110 HydrophobicContact CE2-CB 4.16Å; F104-M110 HydrophobicContact CE2-CG 3.79Å; F104-M110 HydrophobicContact CE2-SD 3.91Å; F104-M110 HydrophobicContact CZ-CB 4.42Å; F104-F128 HydrophobicContact CD1-CD2 4.13Å; F104-F128 HydrophobicContact CD1-CE2 4.1Å; F104-F128 HydrophobicContact CE1-CD2 4.41Å; F104-I159 HydrophobicContact CB-CG2 3.8Å; F104-I159 HydrophobicContact CD2-CG2 4.37Å; F104-I162 HydrophobicContact CD2-CB 4.05Å; F104-I162 HydrophobicContact CD2-CG2 4.25Å; F104-I162 HydrophobicContact CE2-CB 4.15Å; F104-I162 HydrophobicContact CE2-CG2 4.26Å; F104-I162 HydrophobicContact CG-CG2 4.46Å; F104-I162 HydrophobicContact CZ-CG2 4.46Å; F104-Y163 HydrophobicContact CE2-CD2 4.3Å; F104-Y163 HydrophobicContact CZ-CD2 4.11Å; F104-F166 HydrophobicContact CE1-CB 4.13Å; F104-F166 AromaticContact CE1-CD1 3.98Å; F104-F166 HydrophobicContact CE1-CD1 3.98Å; F104-F166 HydrophobicContact CE1-CD2 4.19Å; F104-F166 AromaticContact CE1-CG 3.8Å; F104-F166 HydrophobicContact CE1-CG 3.8Å; F104-F166 HydrophobicContact CZ-CB 3.91Å; F104-F166 AromaticContact CZ-CD1 3.76Å; F104-F166 HydrophobicContact CZ-CD1 3.76Å; F104-F166 AromaticContact CZ-CG 3.83Å; F104-F166 HydrophobicContact CZ-CG 3.83Å
105	Y	95.2	Very high	92.6	Very high	66 Å²	66	69.7 Å²	69.7	26%	0.259	33%	0.329	S	S	.	.	H	α-helix	trans	-56.7	-30.6	179.1	-177.9	-106.3	0	0	0	114.2	L101 K103 Q111 F124 H125 F128	L101-Y105 PolarHBondContact O-N 2.96Å; K103-Y105 PolarHBondContact O-N 2.77Å; Y105-Q111 PolarHBondContact O-NE2 3.03Å; Y105-F124 HydrophobicContact CD2-CD1 4.16Å; Y105-F124 AromaticContact CD2-CE1 3.48Å; Y105-F124 HydrophobicContact CD2-CE1 3.48Å; Y105-F124 VanDerWaalsContact CD2-CE1 3.48Å; Y105-F124 HydrophobicContact CD2-CZ 4.29Å; Y105-F124 AromaticContact CE2-CD1 3.83Å; Y105-F124 HydrophobicContact CE2-CD1 3.83Å; Y105-F124 AromaticContact CE2-CE1 3.6Å; Y105-F124 HydrophobicContact CE2-CE1 3.6Å; Y105-F124 HydrophobicContact CG-CE1 4.46Å; Y105-H125 AromaticContact CZ-ND1 3.67Å; Y105-H125 PolarHBondContact OH-ND1 2.95Å; Y105-F128 HydrophobicContact CD2-CB 3.93Å; Y105-F128 AromaticContact CD2-CD1 3.32Å; Y105-F128 HydrophobicContact CD2-CD1 3.32Å; Y105-F128 HydrophobicContact CD2-CD2 4.09Å; Y105-F128 AromaticContact CD2-CE1 3.84Å; Y105-F128 HydrophobicContact CD2-CE1 3.84Å; Y105-F128 AromaticContact CD2-CG 3.47Å; Y105-F128 HydrophobicContact CD2-CG 3.47Å; Y105-F128 VanDerWaalsContact CD2-CG 3.47Å; Y105-F128 HydrophobicContact CD2-CZ 4.43Å; Y105-F128 HydrophobicContact CE2-CB 4.27Å; Y105-F128 AromaticContact CE2-CD1 3.93Å; Y105-F128 HydrophobicContact CE2-CD1 3.93Å; Y105-F128 HydrophobicContact CE2-CG 4.2Å; Y105-F128 AromaticContact CG-CD1 3.8Å; Y105-F128 HydrophobicContact CG-CD1 3.8Å; Y105-F128 AromaticContact CG-CE1 3.8Å; Y105-F128 HydrophobicContact CG-CE1 3.8Å; Y105-F128 HydrophobicContact CG-CG 4.2Å; Y105-F128 HydrophobicContact CG-CZ 4.22Å
106	K	94.9	Very high	92.6	Very high	162 Å²	162	69.7 Å²	69.7	70%	0.704	33%	0.329	S	S	*	.	H	α-helix	trans	-88.3	-9.8	-178	-70.8	178.3	-178.9	-178.8	0	114	N102 K103 F104 K108	N102-K106 WeakPolarHBondContact O-CG 3.49Å; K103-K106 PolarHBondContact O-N 3.16Å; K103-K106 VanDerWaalsContact O-N 3.08Å; F104-K106 PolarHBondContact O-N 2.68Å; F104-K106 VanDerWaalsContact O-N 3.12Å; K106-K108 PolarHBondContact O-N 3.44Å
107	R	94.9	Very high	92.6	Very high	70 Å²	70	71 Å²	71	26%	0.264	34%	0.335	S	S	.	.			trans	-71.1	122.2	178.5	-70.5	-157.6	76.4	152.7	5.9	110.9	K103 F104 E109 M110 Q111 H158 D160	K103-R107 PolarHBondContact O-N 2.89Å; F104-R107 PolarHBondContact O-N 3.4Å; F104-R107 VanDerWaalsContact O-N 3.09Å; R107-E109 IonicContact CZ-OE2 2.7Å; R107-E109 IonicContact NE-OE2 3.29Å; R107-E109 PolarHBondContact NE-OE2 2.86Å; R107-E109 IonicContact NH2-OE2 3.42Å; R107-E109 PolarHBondContact O-N 2.9Å; R107-M110 HydrophobicContact CB-CB 4.13Å; R107-M110 HydrophobicContact CB-CG 3.88Å; R107-M110 PolarHBondContact O-N 2.78Å; R107-Q111 WeakPolarHBondContact O-CG 3.28Å; R107-Q111 PolarHBondContact O-N 3.35Å; R107-Q111 VanDerWaalsContact O-N 3.14Å; R107-H158 PolarHBondContact NH1-CE1 3.2Å; R107-H158 PolarHBondContact NH1-NE2 3.16Å; R107-H158 VanDerWaalsContact NH1-NE2 3.15Å; R107-D160 WeakPolarHBondContact CD-OD1 3.48Å; R107-D160 IonicContact CZ-OD1 3.92Å; R107-D160 VanDerWaalsContact CZ-OD1 3.29Å; R107-D160 IonicContact CZ-OD2 2.92Å; R107-D160 IonicContact NE-OD1 3.5Å; R107-D160 PolarHBondContact NE-OD1 2.7Å; R107-D160 VanDerWaalsContact NH1-CG 3.31Å; R107-D160 IonicContact NH1-OD1 3.72Å; R107-D160 PolarHBondContact NH1-OD1 3.4Å; R107-D160 IonicContact NH1-OD2 3.2Å; R107-D160 PolarHBondContact NH1-OD2 2.77Å
108	K	93.6	Very high	92.4	Very high	164 Å²	164	72.7 Å²	72.7	71%	0.713	35%	0.354	S	S	*	.	H	α-helix	trans	-66.5	-30.6	177.1	-67.8	-174.1	178.2	-177.4	0	111.9	K106 K112	K106-K108 PolarHBondContact O-N 3.44Å; K108-K112 WeakPolarHBondContact O-CB 3.21Å; K108-K112 PolarHBondContact O-N 3.46Å
109	E	93.4	Very high	92.2	Very high	103 Å²	103	69.7 Å²	69.7	48%	0.481	34%	0.338	S	S	.	.	H	α-helix	trans	-64.4	-45.1	178.2	-55.4	72.2	-141.7	0	0	110.6	R107 K112 L113	R107-E109 IonicContact CZ-OE2 2.7Å; R107-E109 IonicContact NE-OE2 3.29Å; R107-E109 PolarHBondContact NE-OE2 2.86Å; R107-E109 IonicContact NH2-OE2 3.42Å; R107-E109 PolarHBondContact O-N 2.9Å; E109-K112 PolarHBondContact O-N 3.29Å; E109-L113 WeakPolarHBondContact O-CB 3.08Å; E109-L113 PolarHBondContact O-N 2.82Å
110	M	92.3	Very high	92.1	Very high	12 Å²	12	67.2 Å²	67.2	6%	0.059	33%	0.33	C	S	.	.	H	α-helix	trans	-70.1	-39.2	178.6	-61.9	-61.3	97.6	0	0	112.4	F104 R107 L113 A114 D160 Y163	F104-M110 HydrophobicContact CD2-CG 4.02Å; F104-M110 HydrophobicContact CE2-CB 4.16Å; F104-M110 HydrophobicContact CE2-CG 3.79Å; F104-M110 HydrophobicContact CE2-SD 3.91Å; F104-M110 HydrophobicContact CZ-CB 4.42Å; R107-M110 HydrophobicContact CB-CB 4.13Å; R107-M110 HydrophobicContact CB-CG 3.88Å; R107-M110 PolarHBondContact O-N 2.78Å; M110-L113 HydrophobicContact CE-CD2 4.3Å; M110-L113 PolarHBondContact O-N 2.86Å; M110-A114 VanDerWaalsContact O-CB 3.28Å; M110-A114 WeakPolarHBondContact O-CB 3.45Å; M110-A114 PolarHBondContact O-N 3.32Å; M110-D160 HydrophobicContact CE-CB 3.82Å; M110-D160 VanDerWaalsContact CE-CG 3.5Å; M110-D160 WeakPolarHBondContact CE-OD2 3.46Å; M110-D160 HydrophobicContact SD-CB 3.8Å; M110-Y163 HydrophobicContact CB-CD2 4.45Å; M110-Y163 HydrophobicContact SD-CD2 3.71Å; M110-Y163 HydrophobicContact SD-CG 4.06Å
111	Q	92.8	Very high	92	Very high	78 Å²	78	70.8 Å²	70.8	36%	0.364	36%	0.361	S	S	.	.	H	α-helix	trans	-62.3	-41.9	173	-70.8	175.1	11.3	0	0	111.8	Y105 R107 A114 A115 F124	Y105-Q111 PolarHBondContact O-NE2 3.03Å; R107-Q111 WeakPolarHBondContact O-CG 3.28Å; R107-Q111 PolarHBondContact O-N 3.35Å; R107-Q111 VanDerWaalsContact O-N 3.14Å; Q111-A114 PolarHBondContact O-N 2.93Å; Q111-A115 PolarHBondContact O-N 3.28Å; Q111-F124 HydrophobicContact CG-CD1 4.24Å; Q111-F124 HydrophobicContact CG-CE1 3.67Å; Q111-F124 HydrophobicContact CG-CZ 3.91Å
112	K	93	Very high	92	Very high	136 Å²	136	74.5 Å²	74.5	59%	0.591	37%	0.374	S	S	*	.	H	α-helix	trans	-65.5	-48.9	176.1	-172.6	-173.7	172	-170	0	111.2	K108 E109 A114 A115 D116	K108-K112 WeakPolarHBondContact O-CB 3.21Å; K108-K112 PolarHBondContact O-N 3.46Å; E109-K112 PolarHBondContact O-N 3.29Å; K112-A114 PolarHBondContact O-N 2.96Å; K112-A115 WeakPolarHBondContact O-CA 3.38Å; K112-A115 WeakPolarHBondContact O-CB 3.3Å; K112-A115 PolarHBondContact O-N 2.88Å; K112-D116 VanDerWaalsContact O-CG 3.28Å; K112-D116 PolarHBondContact O-N 2.85Å
113	L	92.2	Very high	91.9	Very high	63 Å²	63	71.7 Å²	71.7	33%	0.33	36%	0.359	S	S	.	.	H	α-helix	trans	-60.3	-34.4	178.5	-171.5	64.2	0	0	0	111.9	E109 M110 H117 Y163	E109-L113 WeakPolarHBondContact O-CB 3.08Å; E109-L113 PolarHBondContact O-N 2.82Å; M110-L113 HydrophobicContact CE-CD2 4.3Å; M110-L113 PolarHBondContact O-N 2.86Å; L113-H117 PolarHBondContact O-N 2.87Å; L113-H117 PolarHBondContact O-ND1 3.27Å; L113-H117 VanDerWaalsContact O-ND1 3.12Å; L113-Y163 HydrophobicContact CB-CE2 4.05Å; L113-Y163 HydrophobicContact CD2-CD1 3.8Å; L113-Y163 HydrophobicContact CD2-CD2 4.12Å; L113-Y163 HydrophobicContact CD2-CE1 3.64Å; L113-Y163 HydrophobicContact CD2-CE2 3.94Å; L113-Y163 HydrophobicContact CD2-CG 4.05Å; L113-Y163 HydrophobicContact CG-CE1 3.89Å; L113-Y163 HydrophobicContact CG-CE2 4Å; L113-Y163 PolarHBondContact O-OH 2.85Å
114	A	91.3	Very high	91.9	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-64.5	-46.1	170.9	0	0	0	0	0	112.5	M110 Q111 K112 D116 H117 G118 L119 F124 Y163	M110-A114 VanDerWaalsContact O-CB 3.28Å; M110-A114 WeakPolarHBondContact O-CB 3.45Å; M110-A114 PolarHBondContact O-N 3.32Å; Q111-A114 PolarHBondContact O-N 2.93Å; K112-A114 PolarHBondContact O-N 2.96Å; A114-D116 VanDerWaalsContact C-N 3.34Å; A114-D116 PolarHBondContact O-N 3.28Å; A114-H117 CarbonylContact O-C 3.56Å; A114-H117 WeakPolarHBondContact O-CA 3.24Å; A114-H117 PolarHBondContact O-N 2.86Å; A114-G118 PolarHBondContact O-N 2.96Å; A114-L119 CarbonylContact C-O 3.6Å; A114-L119 HydrophobicContact CB-CB 3.92Å; A114-L119 HydrophobicContact CB-CD1 4.14Å; A114-L119 WeakPolarHBondContact O-CB 3.28Å; A114-L119 PolarHBondContact O-N 3.48Å; A114-F124 HydrophobicContact CB-CD2 3.46Å; A114-F124 VanDerWaalsContact CB-CD2 3.46Å; A114-F124 HydrophobicContact CB-CE2 3.85Å; A114-F124 HydrophobicContact CB-CG 4.44Å; A114-Y163 VanDerWaalsContact CA-OH 3.31Å; A114-Y163 WeakPolarHBondContact CA-OH 3.46Å; A114-Y163 HydrophobicContact CB-CE2 4.25Å; A114-Y163 PolarHBondContact N-OH 3.49Å
115	A	90.3	Very high	91.8	Very high	57 Å²	57	70.5 Å²	70.5	47%	0.471	36%	0.355	S	S	.	.	H	α-helix	trans	-63.3	-38.1	176.1	0	0	0	0	0	112.7	Q111 K112 H117 G118 L119	Q111-A115 PolarHBondContact O-N 3.28Å; K112-A115 WeakPolarHBondContact O-CA 3.38Å; K112-A115 WeakPolarHBondContact O-CB 3.3Å; K112-A115 PolarHBondContact O-N 2.88Å; A115-H117 PolarHBondContact O-N 3.43Å; A115-G118 PolarHBondContact O-N 2.77Å; A115-L119 VanDerWaalsContact CA-O 3.29Å; A115-L119 WeakPolarHBondContact CA-O 3.49Å; A115-L119 PolarHBondContact N-O 2.93Å
116	D	88.4	Confident	91.7	Very high	108 Å²	108	70.7 Å²	70.7	58%	0.578	36%	0.359	S	S	*	.	H	α-helix	trans	-62.6	-23.6	174	-64.1	-26.4	0	0	0	111.8	K112 A114	K112-D116 VanDerWaalsContact O-CG 3.28Å; K112-D116 PolarHBondContact O-N 2.85Å; A114-D116 VanDerWaalsContact C-N 3.34Å; A114-D116 PolarHBondContact O-N 3.28Å
117	H	86.9	Confident	91.6	Very high	104 Å²	104	63 Å²	63	48%	0.481	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	17.5	171.4	-65.4	134	0	0	0	114.1	L113 A114 A115 L119 Y163 M167	L113-H117 PolarHBondContact O-N 2.87Å; L113-H117 PolarHBondContact O-ND1 3.27Å; L113-H117 VanDerWaalsContact O-ND1 3.12Å; A114-H117 CarbonylContact O-C 3.56Å; A114-H117 WeakPolarHBondContact O-CA 3.24Å; A114-H117 PolarHBondContact O-N 2.86Å; A115-H117 PolarHBondContact O-N 3.43Å; H117-L119 PolarHBondContact O-N 3.07Å; H117-Y163 AromaticContact ND1-CE1 3.98Å; H117-Y163 AromaticContact ND1-CZ 3.87Å; H117-Y163 PolarHBondContact ND1-OH 3.45Å; H117-M167 HydrophobicContact CB-CE 3.59Å
118	G	85.9	Confident	91.6	Very high	40 Å²	40	59.8 Å²	59.8	41%	0.412	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	1.9	174	0	0	0	0	0	116.5	A114 A115 D120	A114-G118 PolarHBondContact O-N 2.96Å; A115-G118 PolarHBondContact O-N 2.77Å; G118-D120 PolarHBondContact O-N 2.73Å
119	L	89.4	Confident	91.6	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	30%	0.296	C	S	.	.			trans	-83.2	95.8	169.7	-72.3	172.6	0	0	0	110.1	A114 A115 H117 L123 F124 F166 M167 A170 F174 L177	A114-L119 CarbonylContact C-O 3.6Å; A114-L119 HydrophobicContact CB-CB 3.92Å; A114-L119 HydrophobicContact CB-CD1 4.14Å; A114-L119 WeakPolarHBondContact O-CB 3.28Å; A114-L119 PolarHBondContact O-N 3.48Å; A115-L119 VanDerWaalsContact CA-O 3.29Å; A115-L119 WeakPolarHBondContact CA-O 3.49Å; A115-L119 PolarHBondContact N-O 2.93Å; H117-L119 PolarHBondContact O-N 3.07Å; L119-L123 HydrophobicContact CD2-CB 3.59Å; L119-L123 HydrophobicContact CD2-CD1 4.44Å; L119-F124 HydrophobicContact CB-CB 4.43Å; L119-F166 HydrophobicContact CD1-CE1 3.89Å; L119-F166 HydrophobicContact CD1-CZ 4.13Å; L119-M167 HydrophobicContact CD1-CE 3.62Å; L119-M167 HydrophobicContact CD1-SD 4.12Å; L119-M167 HydrophobicContact CG-CE 4.38Å; L119-A170 HydrophobicContact CD1-CB 3.84Å; L119-A170 HydrophobicContact CD2-CB 4.27Å; L119-F174 HydrophobicContact CD2-CD2 4.47Å; L119-L177 HydrophobicContact CD2-CD1 3.45Å; L119-L177 VanDerWaalsContact CD2-CD1 3.45Å; L119-L177 HydrophobicContact CG-CD1 3.98Å
120	D	90.4	Very high	91.6	Very high	55 Å²	55	51.8 Å²	51.8	29%	0.294	29%	0.287	S	S	.	.			trans	-64.1	176.5	168.9	79.6	3	0	0	0	112.3	T66 G118 R122 L123 F124	T66-D120 WeakPolarHBondContact CB-OD2 3.29Å; T66-D120 HydrophobicContact CG2-CB 4.37Å; T66-D120 WeakPolarHBondContact CG2-OD2 3.3Å; T66-D120 PolarHBondContact OG1-OD2 3.34Å; G118-D120 PolarHBondContact O-N 2.73Å; D120-R122 PolarHBondContact O-N 3.06Å; D120-R122 VanDerWaalsContact O-N 3.14Å; D120-R122 WeakPolarHBondContact OD1-CA 3.32Å; D120-R122 VanDerWaalsContact OD1-CB 3.27Å; D120-R122 WeakPolarHBondContact OD1-CB 3.36Å; D120-R122 PolarHBondContact OD1-N 3.05Å; D120-L123 PolarHBondContact O-N 3.34Å; D120-L123 WeakPolarHBondContact OD1-CG 3.33Å; D120-L123 PolarHBondContact OD1-N 3.46Å; D120-F124 WeakPolarHBondContact O-CB 3.47Å; D120-F124 PolarHBondContact O-N 3.46Å
121	A	90.9	Very high	91.6	Very high	87 Å²	87	51.3 Å²	51.3	72%	0.719	29%	0.285	S	S	*	.	H	α-helix	trans	-58.9	-28	-179.2	0	0	0	0	0	114	H125	A121-H125 WeakPolarHBondContact O-CB 3.44Å; A121-H125 PolarHBondContact O-N 3.18Å
122	R	92.4	Very high	91.7	Very high	77 Å²	77	51.7 Å²	51.7	29%	0.291	28%	0.282	S	S	.	.	H	α-helix	trans	-76.8	-51.8	-179.9	-169.7	-165.9	78.9	73.1	-4.2	110.4	T66 F69 D120 H125 Q126	T66-R122 PolarHBondContact O-NH2 3.23Å; F69-R122 PolarHBondContact O-NH2 3.41Å; F69-R122 VanDerWaalsContact O-NH2 3.07Å; D120-R122 PolarHBondContact O-N 3.06Å; D120-R122 VanDerWaalsContact O-N 3.14Å; D120-R122 WeakPolarHBondContact OD1-CA 3.32Å; D120-R122 VanDerWaalsContact OD1-CB 3.27Å; D120-R122 WeakPolarHBondContact OD1-CB 3.36Å; D120-R122 PolarHBondContact OD1-N 3.05Å; R122-H125 PolarHBondContact O-N 2.78Å; R122-Q126 WeakPolarHBondContact O-CG 3.5Å; R122-Q126 PolarHBondContact O-N 3.26Å
123	L	91.8	Very high	91.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.1	-44.6	177.9	-63.3	177.8	0	0	0	111.1	T66 F69 L119 D120 H125 Q126 A127 F174	T66-L123 HydrophobicContact CG2-CD1 3.81Å; T66-L123 HydrophobicContact CG2-CG 4.47Å; F69-L123 HydrophobicContact CB-CD2 4Å; F69-L123 HydrophobicContact CD2-CD1 3.7Å; F69-L123 HydrophobicContact CD2-CD2 4.05Å; F69-L123 HydrophobicContact CE2-CD1 4.05Å; L119-L123 HydrophobicContact CD2-CB 3.59Å; L119-L123 HydrophobicContact CD2-CD1 4.44Å; D120-L123 PolarHBondContact O-N 3.34Å; D120-L123 WeakPolarHBondContact OD1-CG 3.33Å; D120-L123 PolarHBondContact OD1-N 3.46Å; L123-H125 VanDerWaalsContact C-N 3.32Å; L123-H125 PolarHBondContact O-N 2.88Å; L123-Q126 PolarHBondContact O-N 2.81Å; L123-A127 VanDerWaalsContact O-CB 3.23Å; L123-A127 WeakPolarHBondContact O-CB 3.47Å; L123-A127 PolarHBondContact O-N 3.31Å; L123-F174 HydrophobicContact CB-CE2 4.25Å; L123-F174 HydrophobicContact CD2-CD1 3.99Å; L123-F174 HydrophobicContact CD2-CD2 4.18Å; L123-F174 HydrophobicContact CD2-CE1 3.69Å; L123-F174 HydrophobicContact CD2-CE2 3.9Å; L123-F174 HydrophobicContact CD2-CG 4.22Å; L123-F174 HydrophobicContact CD2-CZ 3.64Å
124	F	94.2	Very high	91.4	Very high	8 Å²	8	50.3 Å²	50.3	4%	0.035	27%	0.273	C	S	.	.	H	α-helix	trans	-57.4	-44.5	175.8	-178.9	-98.6	0	0	0	111.7	Y105 Q111 A114 L119 D120 F128 F166	Y105-F124 HydrophobicContact CD2-CD1 4.16Å; Y105-F124 AromaticContact CD2-CE1 3.48Å; Y105-F124 HydrophobicContact CD2-CE1 3.48Å; Y105-F124 VanDerWaalsContact CD2-CE1 3.48Å; Y105-F124 HydrophobicContact CD2-CZ 4.29Å; Y105-F124 AromaticContact CE2-CD1 3.83Å; Y105-F124 HydrophobicContact CE2-CD1 3.83Å; Y105-F124 AromaticContact CE2-CE1 3.6Å; Y105-F124 HydrophobicContact CE2-CE1 3.6Å; Y105-F124 HydrophobicContact CG-CE1 4.46Å; Q111-F124 HydrophobicContact CG-CD1 4.24Å; Q111-F124 HydrophobicContact CG-CE1 3.67Å; Q111-F124 HydrophobicContact CG-CZ 3.91Å; A114-F124 HydrophobicContact CB-CD2 3.46Å; A114-F124 VanDerWaalsContact CB-CD2 3.46Å; A114-F124 HydrophobicContact CB-CE2 3.85Å; A114-F124 HydrophobicContact CB-CG 4.44Å; L119-F124 HydrophobicContact CB-CB 4.43Å; D120-F124 WeakPolarHBondContact O-CB 3.47Å; D120-F124 PolarHBondContact O-N 3.46Å; F124-F128 WeakPolarHBondContact O-CB 3.44Å; F124-F128 PolarHBondContact O-N 2.94Å; F124-F166 AromaticContact CD2-CE1 3.65Å; F124-F166 HydrophobicContact CD2-CE1 3.65Å; F124-F166 AromaticContact CD2-CZ 3.54Å; F124-F166 HydrophobicContact CD2-CZ 3.54Å; F124-F166 HydrophobicContact CE2-CD1 4.47Å; F124-F166 AromaticContact CE2-CE1 3.54Å; F124-F166 HydrophobicContact CE2-CE1 3.54Å; F124-F166 AromaticContact CE2-CZ 3.67Å; F124-F166 HydrophobicContact CE2-CZ 3.67Å; F124-F166 HydrophobicContact CG-CZ 4.41Å
125	H	94.2	Very high	91.3	Very high	89 Å²	89	50.7 Å²	50.7	41%	0.412	28%	0.275	S	S	.	.	H	α-helix	trans	-64.4	-47.5	176.9	-178.5	79.3	0	0	0	112.3	Y105 A121 R122 L123 F128 V129	Y105-H125 AromaticContact CZ-ND1 3.67Å; Y105-H125 PolarHBondContact OH-ND1 2.95Å; A121-H125 WeakPolarHBondContact O-CB 3.44Å; A121-H125 PolarHBondContact O-N 3.18Å; R122-H125 PolarHBondContact O-N 2.78Å; L123-H125 VanDerWaalsContact C-N 3.32Å; L123-H125 PolarHBondContact O-N 2.88Å; H125-F128 PolarHBondContact O-N 3.29Å; H125-V129 WeakPolarHBondContact O-CG2 3.37Å; H125-V129 PolarHBondContact O-N 3.22Å
126	Q	92.6	Very high	91.2	Very high	70 Å²	70	49.6 Å²	49.6	33%	0.327	26%	0.261	S	S	.	.	H	α-helix	trans	-64.4	-45.6	179.6	-72.9	-174.4	-21.1	0	0	112.3	R122 L123 F128 V129 S130 F174	R122-Q126 WeakPolarHBondContact O-CG 3.5Å; R122-Q126 PolarHBondContact O-N 3.26Å; L123-Q126 PolarHBondContact O-N 2.81Å; Q126-F128 VanDerWaalsContact C-N 3.33Å; Q126-F128 PolarHBondContact O-N 2.89Å; Q126-V129 PolarHBondContact O-N 3.37Å; Q126-S130 PolarHBondContact O-N 3.19Å; Q126-S130 VanDerWaalsContact O-N 3.09Å; Q126-F174 HydrophobicContact CB-CE2 4.36Å; Q126-F174 HydrophobicContact CB-CZ 3.96Å
127	A	93.4	Very high	91.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59.3	-43.3	173.9	0	0	0	0	0	111.4	L123 S130 F131 F166 A170 I173 F174	L123-A127 VanDerWaalsContact O-CB 3.23Å; L123-A127 WeakPolarHBondContact O-CB 3.47Å; L123-A127 PolarHBondContact O-N 3.31Å; A127-S130 PolarHBondContact O-N 3.5Å; A127-F131 VanDerWaalsContact O-CB 3.29Å; A127-F131 WeakPolarHBondContact O-CB 3.33Å; A127-F131 PolarHBondContact O-N 3.47Å; A127-F166 HydrophobicContact CB-CE2 3.84Å; A127-F166 HydrophobicContact CB-CZ 4Å; A127-A170 HydrophobicContact CB-CB 3.7Å; A127-I173 HydrophobicContact CB-CD1 4.47Å; A127-F174 HydrophobicContact CB-CE2 4.17Å
128	F	94.9	Very high	90.7	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.018	25%	0.247	C	C	.	.	H	α-helix	trans	-68.1	-41.6	-179.8	175.1	-97.8	0	0	0	112.4	L101 F104 Y105 F124 H125 Q126 S130 F131 R132 F166	L101-F128 HydrophobicContact CB-CE2 4.16Å; L101-F128 HydrophobicContact CB-CZ 4.07Å; L101-F128 WeakPolarHBondContact O-CE2 3.38Å; L101-F128 VanDerWaalsContact O-CZ 3.26Å; L101-F128 WeakPolarHBondContact O-CZ 3.38Å; F104-F128 HydrophobicContact CD1-CD2 4.13Å; F104-F128 HydrophobicContact CD1-CE2 4.1Å; F104-F128 HydrophobicContact CE1-CD2 4.41Å; Y105-F128 HydrophobicContact CD2-CB 3.93Å; Y105-F128 AromaticContact CD2-CD1 3.32Å; Y105-F128 HydrophobicContact CD2-CD1 3.32Å; Y105-F128 HydrophobicContact CD2-CD2 4.09Å; Y105-F128 AromaticContact CD2-CE1 3.84Å; Y105-F128 HydrophobicContact CD2-CE1 3.84Å; Y105-F128 AromaticContact CD2-CG 3.47Å; Y105-F128 HydrophobicContact CD2-CG 3.47Å; Y105-F128 VanDerWaalsContact CD2-CG 3.47Å; Y105-F128 HydrophobicContact CD2-CZ 4.43Å; Y105-F128 HydrophobicContact CE2-CB 4.27Å; Y105-F128 AromaticContact CE2-CD1 3.93Å; Y105-F128 HydrophobicContact CE2-CD1 3.93Å; Y105-F128 HydrophobicContact CE2-CG 4.2Å; Y105-F128 AromaticContact CG-CD1 3.8Å; Y105-F128 HydrophobicContact CG-CD1 3.8Å; Y105-F128 AromaticContact CG-CE1 3.8Å; Y105-F128 HydrophobicContact CG-CE1 3.8Å; Y105-F128 HydrophobicContact CG-CG 4.2Å; Y105-F128 HydrophobicContact CG-CZ 4.22Å; F124-F128 WeakPolarHBondContact O-CB 3.44Å; F124-F128 PolarHBondContact O-N 2.94Å; H125-F128 PolarHBondContact O-N 3.29Å; Q126-F128 VanDerWaalsContact C-N 3.33Å; Q126-F128 PolarHBondContact O-N 2.89Å; F128-S130 VanDerWaalsContact C-N 3.29Å; F128-S130 PolarHBondContact O-N 2.77Å; F128-F131 PolarHBondContact O-N 2.85Å; F128-R132 HydrophobicContact CE1-CB 4.4Å; F128-R132 HydrophobicContact CZ-CB 4.28Å; F128-R132 VanDerWaalsContact O-CB 3.23Å; F128-R132 WeakPolarHBondContact O-CB 3.48Å; F128-R132 PolarHBondContact O-N 2.92Å; F128-F166 HydrophobicContact CB-CE2 4.04Å
129	V	93.3	Very high	90.1	Very high	58 Å²	58	51.3 Å²	51.3	35%	0.352	26%	0.264	S	S	.	.	H	α-helix	trans	-60.4	-42.5	176.2	168.3	0	0	0	0	110.6	H125 Q126 K133	H125-V129 WeakPolarHBondContact O-CG2 3.37Å; H125-V129 PolarHBondContact O-N 3.22Å; Q126-V129 PolarHBondContact O-N 3.37Å; V129-K133 WeakPolarHBondContact O-CB 3.47Å; V129-K133 PolarHBondContact O-N 3.5Å
130	S	92.5	Very high	89.5	Confident	41 Å²	41	52 Å²	52	29%	0.287	27%	0.269	S	S	.	.	H	α-helix	trans	-68.6	-44.5	175.6	-179.7	0	0	0	0	112.8	Q126 A127 F128 R132 K133 Y134 H169 I173	Q126-S130 PolarHBondContact O-N 3.19Å; Q126-S130 VanDerWaalsContact O-N 3.09Å; A127-S130 PolarHBondContact O-N 3.5Å; F128-S130 VanDerWaalsContact C-N 3.29Å; F128-S130 PolarHBondContact O-N 2.77Å; S130-R132 PolarHBondContact O-N 3.39Å; S130-K133 WeakPolarHBondContact O-CB 3.39Å; S130-K133 PolarHBondContact O-N 3.48Å; S130-K133 VanDerWaalsContact O-N 3.12Å; S130-Y134 WeakPolarHBondContact O-CB 3.47Å; S130-Y134 PolarHBondContact O-N 3.01Å; S130-H169 PolarHBondContact OG-NE2 2.89Å; S130-I173 VanDerWaalsContact OG-CD1 3.3Å; S130-I173 WeakPolarHBondContact OG-CD1 3.28Å
131	F	93.6	Very high	89.2	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.009	26%	0.258	C	S	.	.	H	α-helix	trans	-61.7	-44.2	177.2	-179.4	-112.9	0	0	0	111.8	L101 A127 F128 K133 Y134 V135 L145 I162 F166 H169	L101-F131 HydrophobicContact CD2-CD1 4.26Å; L101-F131 HydrophobicContact CD2-CE1 3.89Å; A127-F131 VanDerWaalsContact O-CB 3.29Å; A127-F131 WeakPolarHBondContact O-CB 3.33Å; A127-F131 PolarHBondContact O-N 3.47Å; F128-F131 PolarHBondContact O-N 2.85Å; F131-K133 VanDerWaalsContact C-N 3.29Å; F131-K133 PolarHBondContact O-N 2.85Å; F131-Y134 PolarHBondContact O-N 3.41Å; F131-V135 HydrophobicContact CD1-CG2 4.43Å; F131-V135 HydrophobicContact CD2-CG2 4.15Å; F131-V135 HydrophobicContact CE1-CG2 4.09Å; F131-V135 HydrophobicContact CE2-CG2 3.81Å; F131-V135 HydrophobicContact CG-CG2 4.47Å; F131-V135 HydrophobicContact CZ-CG2 3.78Å; F131-V135 WeakPolarHBondContact O-CB 3.48Å; F131-V135 VanDerWaalsContact O-CG2 3.32Å; F131-V135 WeakPolarHBondContact O-CG2 3.24Å; F131-V135 PolarHBondContact O-N 3.34Å; F131-L145 HydrophobicContact CE2-CD2 4.46Å; F131-L145 HydrophobicContact CZ-CD1 4.35Å; F131-I162 HydrophobicContact CE1-CG2 3.59Å; F131-I162 HydrophobicContact CZ-CG2 3.95Å; F131-F166 HydrophobicContact CB-CD2 4.12Å; F131-F166 HydrophobicContact CD1-CB 4.29Å; F131-F166 HydrophobicContact CD1-CD2 4.04Å; F131-F166 HydrophobicContact CE1-CB 4.19Å; F131-F166 HydrophobicContact CG-CD2 4.11Å; F131-F166 HydrophobicContact CZ-CB 4.43Å; F131-H169 WeakPolarHBondContact CA-NE2 3.46Å; F131-H169 HydrophobicContact CD2-CB 3.63Å; F131-H169 AromaticContact CD2-CG 3.58Å; F131-H169 AromaticContact CD2-ND1 3.88Å; F131-H169 HydrophobicContact CE2-CB 4.27Å; F131-H169 HydrophobicContact CG-CB 4.45Å; F131-H169 PolarHBondContact N-NE2 2.88Å
132	R	93.4	Very high	89	Confident	85 Å²	85	47.8 Å²	47.8	32%	0.321	24%	0.237	S	C	.	.	H	α-helix	trans	-60.7	-38.8	173.5	-176.2	-172.9	70.6	176.6	2.1	111.7	L101 F128 S130 L136	L101-R132 HydrophobicContact CD1-CB 4.42Å; L101-R132 HydrophobicContact CD1-CG 4Å; F128-R132 HydrophobicContact CE1-CB 4.4Å; F128-R132 HydrophobicContact CZ-CB 4.28Å; F128-R132 VanDerWaalsContact O-CB 3.23Å; F128-R132 WeakPolarHBondContact O-CB 3.48Å; F128-R132 PolarHBondContact O-N 2.92Å; S130-R132 PolarHBondContact O-N 3.39Å; R132-L136 HydrophobicContact CG-CD1 3.79Å; R132-L136 WeakPolarHBondContact O-CB 3.43Å; R132-L136 VanDerWaalsContact O-CG 3.29Å; R132-L136 WeakPolarHBondContact O-CG 3.38Å; R132-L136 PolarHBondContact O-N 2.89Å
133	K	90.5	Very high	88.6	Confident	117 Å²	117	45.2 Å²	45.2	51%	0.509	23%	0.232	S	C	.	.	H	α-helix	trans	-63.3	-52.9	175.6	-168	-173.7	175.5	-175.5	0	110.7	V129 S130 F131 V135 L136 E137	V129-K133 WeakPolarHBondContact O-CB 3.47Å; V129-K133 PolarHBondContact O-N 3.5Å; S130-K133 WeakPolarHBondContact O-CB 3.39Å; S130-K133 PolarHBondContact O-N 3.48Å; S130-K133 VanDerWaalsContact O-N 3.12Å; F131-K133 VanDerWaalsContact C-N 3.29Å; F131-K133 PolarHBondContact O-N 2.85Å; K133-V135 PolarHBondContact O-N 2.89Å; K133-L136 PolarHBondContact O-N 3.02Å; K133-E137 WeakPolarHBondContact CE-OE1 3.43Å; K133-E137 WeakPolarHBondContact CE-OE2 3.33Å; K133-E137 VanDerWaalsContact CG-CD 3.43Å; K133-E137 HydrophobicContact CG-CG 4.18Å; K133-E137 VanDerWaalsContact CG-OE1 3.31Å; K133-E137 WeakPolarHBondContact CG-OE1 3.45Å; K133-E137 IonicContact NZ-OE2 3.73Å; K133-E137 WeakPolarHBondContact O-CB 3.47Å; K133-E137 PolarHBondContact O-N 3.07Å
134	Y	89.1	Confident	88.5	Confident	54 Å²	54	48.3 Å²	48.3	21%	0.212	25%	0.248	C	C	.	.	H	α-helix	trans	-52.4	-51.4	176.4	174.3	-93.8	0	0	0	111.9	S130 F131 L136 M138 L141 P142 L145 H169	S130-Y134 WeakPolarHBondContact O-CB 3.47Å; S130-Y134 PolarHBondContact O-N 3.01Å; F131-Y134 PolarHBondContact O-N 3.41Å; Y134-L136 VanDerWaalsContact C-N 3.33Å; Y134-L136 PolarHBondContact O-N 3.02Å; Y134-M138 HydrophobicContact CD2-CE 3.88Å; Y134-M138 HydrophobicContact CD2-CG 3.86Å; Y134-M138 HydrophobicContact CE2-CE 3.43Å; Y134-M138 VanDerWaalsContact CE2-CE 3.43Å; Y134-M138 HydrophobicContact CE2-CG 4.05Å; Y134-M138 HydrophobicContact CG-CG 4.27Å; Y134-M138 VanDerWaalsContact O-CB 3.23Å; Y134-M138 WeakPolarHBondContact O-CB 3.44Å; Y134-M138 WeakPolarHBondContact O-CG 3.38Å; Y134-M138 PolarHBondContact O-N 3.33Å; Y134-M138 VanDerWaalsContact O-N 3.16Å; Y134-L141 HydrophobicContact CD1-CD2 4.27Å; Y134-L141 HydrophobicContact CE1-CD2 3.9Å; Y134-P142 WeakPolarHBondContact OH-CD 3.41Å; Y134-L145 HydrophobicContact CE1-CD2 3.97Å; Y134-H169 VanDerWaalsContact CB-CE1 3.46Å; Y134-H169 WeakPolarHBondContact CB-CE1 3.37Å; Y134-H169 AromaticContact CD1-ND1 3.97Å; Y134-H169 AromaticContact CD2-CE1 3.87Å; Y134-H169 AromaticContact CG-CE1 3.52Å; Y134-H169 AromaticContact CG-ND1 3.92Å
135	V	89.6	Confident	88.3	Confident	7 Å²	7	48.2 Å²	48.2	4%	0.042	25%	0.248	C	C	.	.	H	α-helix	trans	-65.7	-29.2	-178.5	170.6	0	0	0	0	113.8	L97 L101 F131 K133 L141 L145 L149	L97-V135 HydrophobicContact CD1-CG1 3.92Å; L97-V135 HydrophobicContact CD2-CG1 3.61Å; L97-V135 HydrophobicContact CG-CG1 3.92Å; L101-V135 HydrophobicContact CD1-CB 4.29Å; L101-V135 HydrophobicContact CD1-CG1 3.92Å; F131-V135 HydrophobicContact CD1-CG2 4.43Å; F131-V135 HydrophobicContact CD2-CG2 4.15Å; F131-V135 HydrophobicContact CE1-CG2 4.09Å; F131-V135 HydrophobicContact CE2-CG2 3.81Å; F131-V135 HydrophobicContact CG-CG2 4.47Å; F131-V135 HydrophobicContact CZ-CG2 3.78Å; F131-V135 WeakPolarHBondContact O-CB 3.48Å; F131-V135 VanDerWaalsContact O-CG2 3.32Å; F131-V135 WeakPolarHBondContact O-CG2 3.24Å; F131-V135 PolarHBondContact O-N 3.34Å; K133-V135 PolarHBondContact O-N 2.89Å; V135-L141 HydrophobicContact CG1-CD1 4.46Å; V135-L145 HydrophobicContact CG2-CD2 4.38Å; V135-L149 HydrophobicContact CG1-CD1 3.66Å; V135-L149 HydrophobicContact CG2-CD1 4.41Å
136	L	87.8	Confident	88.1	Confident	35 Å²	35	44.8 Å²	44.8	18%	0.183	23%	0.232	C	C	.	.	H	α-helix	trans	-97.3	-28.6	-176.9	-67.4	174.5	0	0	0	114.4	K94 L97 L98 R132 K133 Y134	K94-L136 HydrophobicContact CB-CD2 4.27Å; K94-L136 PolarHBondContact NZ-O 3.29Å; L97-L136 HydrophobicContact CB-CD2 4.45Å; L97-L136 HydrophobicContact CD2-CD2 4.13Å; L97-L136 HydrophobicContact CG-CD2 4.13Å; L98-L136 HydrophobicContact CD1-CD1 4.08Å; R132-L136 HydrophobicContact CG-CD1 3.79Å; R132-L136 WeakPolarHBondContact O-CB 3.43Å; R132-L136 VanDerWaalsContact O-CG 3.29Å; R132-L136 WeakPolarHBondContact O-CG 3.38Å; R132-L136 PolarHBondContact O-N 2.89Å; K133-L136 PolarHBondContact O-N 3.02Å; Y134-L136 VanDerWaalsContact C-N 3.33Å; Y134-L136 PolarHBondContact O-N 3.02Å
137	E	85.4	Confident	87.9	Confident	131 Å²	131	44 Å²	44	61%	0.612	23%	0.23	S	C	*	.	H	α-helix	trans	-99.7	-24.7	-174.3	-65.5	-176.9	-162.5	0	0	113.7	K133	K133-E137 WeakPolarHBondContact CE-OE1 3.43Å; K133-E137 WeakPolarHBondContact CE-OE2 3.33Å; K133-E137 VanDerWaalsContact CG-CD 3.43Å; K133-E137 HydrophobicContact CG-CG 4.18Å; K133-E137 VanDerWaalsContact CG-OE1 3.31Å; K133-E137 WeakPolarHBondContact CG-OE1 3.45Å; K133-E137 IonicContact NZ-OE2 3.73Å; K133-E137 WeakPolarHBondContact O-CB 3.47Å; K133-E137 PolarHBondContact O-N 3.07Å
138	M	79.6	Confident	87.8	Confident	32 Å²	32	45.9 Å²	45.9	16%	0.158	24%	0.239	C	C	.	.			trans	-61.1	140.5	176	-76.5	-66.4	-129.9	0	0	111.9	T76 Y134 S140 L141	T76-M138 HydrophobicContact CG2-CE 3.85Å; T76-M138 HydrophobicContact CG2-SD 3.81Å; Y134-M138 HydrophobicContact CD2-CE 3.88Å; Y134-M138 HydrophobicContact CD2-CG 3.86Å; Y134-M138 HydrophobicContact CE2-CE 3.43Å; Y134-M138 VanDerWaalsContact CE2-CE 3.43Å; Y134-M138 HydrophobicContact CE2-CG 4.05Å; Y134-M138 HydrophobicContact CG-CG 4.27Å; Y134-M138 VanDerWaalsContact O-CB 3.23Å; Y134-M138 WeakPolarHBondContact O-CB 3.44Å; Y134-M138 WeakPolarHBondContact O-CG 3.38Å; Y134-M138 PolarHBondContact O-N 3.33Å; Y134-M138 VanDerWaalsContact O-N 3.16Å; M138-S140 WeakPolarHBondContact CB-O 3.28Å; M138-L141 HydrophobicContact CB-CD2 3.91Å; M138-L141 HydrophobicContact CG-CD2 4.4Å
139	T	72.7	Confident	87.7	Confident	124 Å²	124	45.7 Å²	45.7	76%	0.761	24%	0.239	S	C	*	.	S	Bend	trans	-68.8	-37.3	171.5	37.6	0	0	0	0	111.9	D78	D78-T139 PolarHBondContact OD1-OG1 3.22Å
140	S	77.6	Confident	87.5	Confident	15 Å²	15	43.4 Å²	43.4	11%	0.105	23%	0.225	C	C	.	.			trans	-136.9	142.2	-179.4	54.4	0	0	0	0	110.8	D78 P79 G82 M138	D78-S140 PolarHBondContact OD1-OG 2.89Å; P79-S140 VanDerWaalsContact CD-OG 3.26Å; P79-S140 WeakPolarHBondContact CD-OG 3.12Å; P79-S140 VanDerWaalsContact CG-OG 3.3Å; P79-S140 WeakPolarHBondContact CG-OG 3.31Å; G82-S140 VanDerWaalsContact CA-CB 3.49Å; G82-S140 WeakPolarHBondContact O-CB 3.5Å; M138-S140 WeakPolarHBondContact CB-O 3.28Å
141	L	84.1	Confident	87.4	Confident	12 Å²	12	44.4 Å²	44.4	6%	0.063	23%	0.228	C	C	.	.			trans	-114.7	151.1	174.5	-65.2	178.6	0	0	0	109.4	L92 Y134 V135 M138 A143 L145 H146 L149	L92-L141 HydrophobicContact CD1-CD1 4.06Å; Y134-L141 HydrophobicContact CD1-CD2 4.27Å; Y134-L141 HydrophobicContact CE1-CD2 3.9Å; V135-L141 HydrophobicContact CG1-CD1 4.46Å; M138-L141 HydrophobicContact CB-CD2 3.91Å; M138-L141 HydrophobicContact CG-CD2 4.4Å; L141-A143 PolarHBondContact O-N 2.82Å; L141-L145 HydrophobicContact CD2-CD2 4.46Å; L141-H146 HydrophobicContact CB-CB 4.35Å; L141-L149 HydrophobicContact CD1-CD1 3.95Å
142	P	86	Confident	87.3	Confident	42 Å²	42	44.7 Å²	44.7	27%	0.273	23%	0.229	S	C	.	.			trans	-48.7	136.3	167.4	-28.2	36.6	0	0	0	111.2	Y134 D144 L145 H146	Y134-P142 WeakPolarHBondContact OH-CD 3.41Å; P142-D144 VanDerWaalsContact C-N 3.26Å; P142-D144 WeakPolarHBondContact CB-OD1 3.16Å; P142-D144 PolarHBondContact O-N 2.81Å; P142-L145 HydrophobicContact CB-CB 4.39Å; P142-L145 PolarHBondContact O-N 2.82Å; P142-L145 VanDerWaalsContact O-N 3.09Å; P142-H146 PolarHBondContact O-N 2.82Å
143	A	85.6	Confident	87	Confident	23 Å²	23	42.4 Å²	42.4	19%	0.19	23%	0.225	C	C	.	.	H	α-helix	trans	-59.4	-37	-171.8	0	0	0	0	0	112.6	V84 L141 H146 I147	V84-A143 HydrophobicContact CB-CB 4.37Å; V84-A143 HydrophobicContact CG1-CB 4.27Å; L141-A143 PolarHBondContact O-N 2.82Å; A143-H146 PolarHBondContact O-N 2.78Å; A143-I147 WeakPolarHBondContact O-CD1 3.4Å; A143-I147 WeakPolarHBondContact O-CG1 3.49Å; A143-I147 PolarHBondContact O-N 2.76Å
144	D	88.8	Confident	86.9	Confident	65 Å²	65	40.6 Å²	40.6	35%	0.348	23%	0.227	S	C	.	.	H	α-helix	trans	-61	-45.7	175.5	63.4	-23.2	0	0	0	112.2	P142 I148 Y165 R168	P142-D144 VanDerWaalsContact C-N 3.26Å; P142-D144 WeakPolarHBondContact CB-OD1 3.16Å; P142-D144 PolarHBondContact O-N 2.81Å; D144-I148 WeakPolarHBondContact O-CG1 3.49Å; D144-I148 PolarHBondContact O-N 3.37Å; D144-Y165 HydrophobicContact CB-CE1 4.17Å; D144-Y165 PolarHBondContact O-OH 2.66Å; D144-Y165 WeakPolarHBondContact OD2-CE1 3.45Å; D144-R168 IonicContact OD2-NH1 2.69Å; D144-R168 PolarHBondContact OD2-NH1 3.46Å
145	L	90.1	Very high	86.7	Confident	6 Å²	6	45.4 Å²	45.4	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	-67.5	-41.6	175	177.3	57.6	0	0	0	112.1	F131 Y134 V135 L141 P142 I147 I148 L149 Y165	F131-L145 HydrophobicContact CE2-CD2 4.46Å; F131-L145 HydrophobicContact CZ-CD1 4.35Å; Y134-L145 HydrophobicContact CE1-CD2 3.97Å; V135-L145 HydrophobicContact CG2-CD2 4.38Å; L141-L145 HydrophobicContact CD2-CD2 4.46Å; P142-L145 HydrophobicContact CB-CB 4.39Å; P142-L145 PolarHBondContact O-N 2.82Å; P142-L145 VanDerWaalsContact O-N 3.09Å; L145-I147 PolarHBondContact O-N 3.04Å; L145-I148 PolarHBondContact O-N 2.77Å; L145-L149 HydrophobicContact CD1-CD1 3.81Å; L145-L149 HydrophobicContact CD1-CD2 4.45Å; L145-L149 HydrophobicContact CD1-CG 3.91Å; L145-L149 HydrophobicContact CG-CD1 3.93Å; L145-L149 HydrophobicContact CG-CG 4.42Å; L145-L149 VanDerWaalsContact O-CG 3.28Å; L145-L149 WeakPolarHBondContact O-CG 3.46Å; L145-L149 PolarHBondContact O-N 3.27Å; L145-Y165 HydrophobicContact CB-CD1 3.83Å; L145-Y165 HydrophobicContact CB-CE1 4Å; L145-Y165 HydrophobicContact CD1-CD1 3.87Å; L145-Y165 HydrophobicContact CD1-CD2 4.37Å; L145-Y165 HydrophobicContact CD1-CG 3.76Å; L145-Y165 HydrophobicContact CG-CD1 4.35Å
146	H	89.4	Confident	86.6	Confident	17 Å²	17	48.8 Å²	48.8	8%	0.079	29%	0.285	C	S	.	.	H	α-helix	trans	-62.1	-44	-179.5	-171.1	-74.4	0	0	0	111.8	G85 T89 Q90 L141 P142 A143 L149 S150	G85-H146 PolarHBondContact O-ND1 2.97Å; G85-H146 VanDerWaalsContact O-ND1 3.12Å; T89-H146 PolarHBondContact OG1-CE1 3.38Å; T89-H146 VanDerWaalsContact OG1-CE1 3.22Å; T89-H146 PolarHBondContact OG1-ND1 2.61Å; Q90-H146 PolarHBondContact O-CE1 2.88Å; L141-H146 HydrophobicContact CB-CB 4.35Å; P142-H146 PolarHBondContact O-N 2.82Å; A143-H146 PolarHBondContact O-N 2.78Å; H146-L149 PolarHBondContact O-N 3.32Å; H146-S150 WeakPolarHBondContact O-CB 3.33Å; H146-S150 PolarHBondContact O-N 2.86Å
147	I	89.7	Confident	86.6	Confident	53 Å²	53	48.4 Å²	48.4	27%	0.272	29%	0.289	S	S	.	.	H	α-helix	trans	-59.9	-52.4	178.3	-68.2	160.8	0	0	0	110.5	L88 T89 A143 L145 L149 S150 D151	L88-I147 HydrophobicContact CD1-CD1 4.31Å; T89-I147 HydrophobicContact CG2-CB 4.36Å; T89-I147 HydrophobicContact CG2-CG1 3.76Å; T89-I147 HydrophobicContact CG2-CG2 4.46Å; A143-I147 WeakPolarHBondContact O-CD1 3.4Å; A143-I147 WeakPolarHBondContact O-CG1 3.49Å; A143-I147 PolarHBondContact O-N 2.76Å; L145-I147 PolarHBondContact O-N 3.04Å; I147-L149 VanDerWaalsContact C-N 3.31Å; I147-L149 PolarHBondContact O-N 3.31Å; I147-S150 WeakPolarHBondContact O-CA 3.48Å; I147-S150 WeakPolarHBondContact O-CB 3.43Å; I147-S150 PolarHBondContact O-N 2.82Å; I147-D151 PolarHBondContact O-N 3.41Å
148	I	91	Very high	86.9	Confident	40 Å²	40	46.7 Å²	46.7	21%	0.205	28%	0.281	C	S	.	.	H	α-helix	trans	-59.3	-40.8	-179.8	-66.7	-66.8	0	0	0	112	D144 L145 S150 I152 D161 Y165	D144-I148 WeakPolarHBondContact O-CG1 3.49Å; D144-I148 PolarHBondContact O-N 3.37Å; L145-I148 PolarHBondContact O-N 2.77Å; I148-S150 VanDerWaalsContact C-N 3.34Å; I148-I152 HydrophobicContact CG2-CD1 3.81Å; I148-I152 WeakPolarHBondContact O-CD1 3.35Å; I148-I152 VanDerWaalsContact O-CG1 3.23Å; I148-I152 WeakPolarHBondContact O-CG1 3.25Å; I148-I152 PolarHBondContact O-N 3.12Å; I148-I152 VanDerWaalsContact O-N 3.08Å; I148-D161 HydrophobicContact CG2-CB 4.1Å; I148-Y165 HydrophobicContact CB-CE2 4.33Å; I148-Y165 HydrophobicContact CG1-CE2 3.93Å; I148-Y165 HydrophobicContact CG2-CE2 4.31Å
149	L	91.1	Very high	87.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-67.6	-33.7	175.9	-67.4	176.3	0	0	0	112.5	L92 L97 V135 L141 L145 H146 I147 C153 I162	L92-L149 HydrophobicContact CD1-CB 4Å; L92-L149 HydrophobicContact CD1-CD1 4.23Å; L92-L149 HydrophobicContact CD2-CB 4.02Å; L97-L149 HydrophobicContact CD1-CB 4.21Å; L97-L149 HydrophobicContact CD1-CD1 4.02Å; L97-L149 HydrophobicContact CD1-CD2 3.74Å; L97-L149 HydrophobicContact CD1-CG 4.2Å; V135-L149 HydrophobicContact CG1-CD1 3.66Å; V135-L149 HydrophobicContact CG2-CD1 4.41Å; L141-L149 HydrophobicContact CD1-CD1 3.95Å; L145-L149 HydrophobicContact CD1-CD1 3.81Å; L145-L149 HydrophobicContact CD1-CD2 4.45Å; L145-L149 HydrophobicContact CD1-CG 3.91Å; L145-L149 HydrophobicContact CG-CD1 3.93Å; L145-L149 HydrophobicContact CG-CG 4.42Å; L145-L149 VanDerWaalsContact O-CG 3.28Å; L145-L149 WeakPolarHBondContact O-CG 3.46Å; L145-L149 PolarHBondContact O-N 3.27Å; H146-L149 PolarHBondContact O-N 3.32Å; I147-L149 VanDerWaalsContact C-N 3.31Å; I147-L149 PolarHBondContact O-N 3.31Å; L149-C153 WeakPolarHBondContact O-CB 3.38Å; L149-C153 PolarHBondContact O-N 2.95Å; L149-C153 VanDerWaalsContact O-N 3.13Å; L149-C153 PolarHBondContact O-SG 2.64Å; L149-I162 HydrophobicContact CD2-CD1 4.14Å; L149-I162 HydrophobicContact CD2-CG1 4.17Å
150	S	89.7	Confident	88.4	Confident	10 Å²	10	42.3 Å²	42.3	7%	0.07	25%	0.253	C	S	.	.	H	α-helix	trans	-67.1	-49.2	175.4	-149.9	0	0	0	0	110.5	Q90 H146 I147 I148 I152 C153 C154	Q90-S150 PolarHBondContact O-OG 2.71Å; H146-S150 WeakPolarHBondContact O-CB 3.33Å; H146-S150 PolarHBondContact O-N 2.86Å; I147-S150 WeakPolarHBondContact O-CA 3.48Å; I147-S150 WeakPolarHBondContact O-CB 3.43Å; I147-S150 PolarHBondContact O-N 2.82Å; I148-S150 VanDerWaalsContact C-N 3.34Å; S150-I152 VanDerWaalsContact C-N 3.34Å; S150-I152 PolarHBondContact O-N 3.09Å; S150-C153 PolarHBondContact O-N 2.72Å; S150-C153 VanDerWaalsContact O-N 3.14Å; S150-C154 WeakPolarHBondContact O-CB 3.24Å; S150-C154 PolarHBondContact O-N 2.94Å
151	D	90.3	Very high	89.1	Confident	63 Å²	63	45 Å²	45	34%	0.337	27%	0.266	S	S	.	.	H	α-helix	trans	-58.2	-43.3	178.4	-72.1	-23.4	0	0	0	111.9	I147 C154 N155 A156 G157	I147-D151 PolarHBondContact O-N 3.41Å; D151-C154 CarbonylContact O-C 3.59Å; D151-C154 PolarHBondContact O-N 2.9Å; D151-N155 PolarHBondContact O-N 3.48Å; D151-N155 VanDerWaalsContact O-N 3.13Å; D151-A156 HydrophobicContact CB-CB 4.15Å; D151-A156 WeakPolarHBondContact O-CA 3.44Å; D151-A156 PolarHBondContact O-N 3.5Å; D151-G157 PolarHBondContact O-N 3.34Å; D151-G157 VanDerWaalsContact O-N 3.1Å
152	I	91.2	Very high	89.6	Confident	7 Å²	7	44.4 Å²	44.4	4%	0.036	26%	0.263	C	S	.	.	H	α-helix	trans	-67.9	-39.7	177.9	-63.2	164.3	0	0	0	111.4	V100 I148 S150 C154 N155 H158 I159 D161 I162	V100-I152 HydrophobicContact CB-CG2 4.47Å; V100-I152 HydrophobicContact CG1-CG2 3.57Å; V100-I152 HydrophobicContact CG2-CG2 3.99Å; I148-I152 HydrophobicContact CG2-CD1 3.81Å; I148-I152 WeakPolarHBondContact O-CD1 3.35Å; I148-I152 VanDerWaalsContact O-CG1 3.23Å; I148-I152 WeakPolarHBondContact O-CG1 3.25Å; I148-I152 PolarHBondContact O-N 3.12Å; I148-I152 VanDerWaalsContact O-N 3.08Å; S150-I152 VanDerWaalsContact C-N 3.34Å; S150-I152 PolarHBondContact O-N 3.09Å; I152-C154 VanDerWaalsContact C-N 3.28Å; I152-C154 PolarHBondContact O-N 2.75Å; I152-N155 PolarHBondContact O-N 2.72Å; I152-H158 VanDerWaalsContact CD1-O 3.29Å; I152-H158 WeakPolarHBondContact CD1-O 3.48Å; I152-I159 HydrophobicContact CG2-CG1 4.1Å; I152-D161 HydrophobicContact CD1-CB 4.45Å; I152-I162 HydrophobicContact CD1-CD1 3.92Å; I152-I162 HydrophobicContact CD1-CG1 3.52Å
153	C	88.6	Confident	90	Very high	37 Å²	37	43.2 Å²	43.2	25%	0.25	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-33	174.2	-75.6	0	0	0	0	112.4	L149 S150 N155	L149-C153 WeakPolarHBondContact O-CB 3.38Å; L149-C153 PolarHBondContact O-N 2.95Å; L149-C153 VanDerWaalsContact O-N 3.13Å; L149-C153 PolarHBondContact O-SG 2.64Å; S150-C153 PolarHBondContact O-N 2.72Å; S150-C153 VanDerWaalsContact O-N 3.14Å; C153-N155 VanDerWaalsContact C-N 3.33Å
154	C	87.3	Confident	90.4	Very high	80 Å²	80	45.9 Å²	45.9	54%	0.541	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	4.6	175.8	-68.3	0	0	0	0	114.5	S150 D151 I152 A156	S150-C154 WeakPolarHBondContact O-CB 3.24Å; S150-C154 PolarHBondContact O-N 2.94Å; D151-C154 CarbonylContact O-C 3.59Å; D151-C154 PolarHBondContact O-N 2.9Å; I152-C154 VanDerWaalsContact C-N 3.28Å; I152-C154 PolarHBondContact O-N 2.75Å; C154-A156 PolarHBondContact O-N 3.12Å
155	N	85.6	Confident	90.6	Very high	154 Å²	154	44.8 Å²	44.8	82%	0.824	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	23.7	-172.6	-56	-62.1	0	0	0	115.1	D151 I152 C153	D151-N155 PolarHBondContact O-N 3.48Å; D151-N155 VanDerWaalsContact O-N 3.13Å; I152-N155 PolarHBondContact O-N 2.72Å; C153-N155 VanDerWaalsContact C-N 3.33Å
156	A	87.5	Confident	90.8	Very high	79 Å²	79	44.5 Å²	44.5	65%	0.653	26%	0.259	S	S	*	.	S	Bend	trans	-90	-21.4	172.1	0	0	0	0	0	113.3	D151 C154	D151-A156 HydrophobicContact CB-CB 4.15Å; D151-A156 WeakPolarHBondContact O-CA 3.44Å; D151-A156 PolarHBondContact O-N 3.5Å; C154-A156 PolarHBondContact O-N 3.12Å
157	G	86.6	Confident	91	Very high	26 Å²	26	44.5 Å²	44.5	27%	0.268	26%	0.259	S	S	.	.	S	Bend	trans	-117.4	168.5	177.3	0	0	0	0	0	114	D151	D151-G157 PolarHBondContact O-N 3.34Å; D151-G157 VanDerWaalsContact O-N 3.1Å
158	H	93.3	Very high	91.1	Very high	95 Å²	95	48.5 Å²	48.5	44%	0.44	27%	0.27	S	S	.	.			trans	-101.4	146.4	177.9	-174.7	-117.4	0	0	0	111.3	R107 I152 D160 D161	R107-H158 PolarHBondContact NH1-CE1 3.2Å; R107-H158 PolarHBondContact NH1-NE2 3.16Å; R107-H158 VanDerWaalsContact NH1-NE2 3.15Å; I152-H158 VanDerWaalsContact CD1-O 3.29Å; I152-H158 WeakPolarHBondContact CD1-O 3.48Å; H158-D160 IonicContact CE1-OD1 3.67Å; H158-D160 IonicContact CE1-OD2 2.78Å; H158-D160 PolarHBondContact CE1-OD2 3.43Å; H158-D160 IonicContact ND1-OD1 2.74Å; H158-D160 IonicContact ND1-OD2 3.98Å; H158-D160 PolarHBondContact O-N 2.93Å; H158-D161 WeakPolarHBondContact CA-OD2 3.48Å; H158-D161 PolarHBondContact N-OD2 3.17Å; H158-D161 VanDerWaalsContact O-CB 3.29Å; H158-D161 WeakPolarHBondContact O-CB 3.37Å; H158-D161 VanDerWaalsContact O-CG 3.25Å; H158-D161 PolarHBondContact O-N 2.81Å; H158-D161 VanDerWaalsContact O-OD2 3.08Å
159	I	91.7	Very high	91.1	Very high	33 Å²	33	46.9 Å²	46.9	17%	0.169	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-60.1	-27	-174	-62.4	175.3	0	0	0	112.4	K103 F104 I152 D161 I162	K103-I159 HydrophobicContact CB-CD1 3.92Å; K103-I159 HydrophobicContact CD-CD1 3.69Å; K103-I159 HydrophobicContact CG-CD1 4.46Å; F104-I159 HydrophobicContact CB-CG2 3.8Å; F104-I159 HydrophobicContact CD2-CG2 4.37Å; I152-I159 HydrophobicContact CG2-CG1 4.1Å; I159-D161 PolarHBondContact O-N 2.85Å; I159-I162 WeakPolarHBondContact O-CB 3.29Å; I159-I162 WeakPolarHBondContact O-CG1 3.26Å; I159-I162 PolarHBondContact O-N 3.21Å
160	D	92.5	Very high	91.2	Very high	32 Å²	32	46.9 Å²	46.9	17%	0.171	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-75.2	-15.8	-177.5	-58.5	3	0	0	0	112	R107 M110 H158 I162 Y163	R107-D160 WeakPolarHBondContact CD-OD1 3.48Å; R107-D160 IonicContact CZ-OD1 3.92Å; R107-D160 VanDerWaalsContact CZ-OD1 3.29Å; R107-D160 IonicContact CZ-OD2 2.92Å; R107-D160 IonicContact NE-OD1 3.5Å; R107-D160 PolarHBondContact NE-OD1 2.7Å; R107-D160 VanDerWaalsContact NH1-CG 3.31Å; R107-D160 IonicContact NH1-OD1 3.72Å; R107-D160 PolarHBondContact NH1-OD1 3.4Å; R107-D160 IonicContact NH1-OD2 3.2Å; R107-D160 PolarHBondContact NH1-OD2 2.77Å; M110-D160 HydrophobicContact CE-CB 3.82Å; M110-D160 VanDerWaalsContact CE-CG 3.5Å; M110-D160 WeakPolarHBondContact CE-OD2 3.46Å; M110-D160 HydrophobicContact SD-CB 3.8Å; H158-D160 IonicContact CE1-OD1 3.67Å; H158-D160 IonicContact CE1-OD2 2.78Å; H158-D160 PolarHBondContact CE1-OD2 3.43Å; H158-D160 IonicContact ND1-OD1 2.74Å; H158-D160 IonicContact ND1-OD2 3.98Å; H158-D160 PolarHBondContact O-N 2.93Å; D160-I162 PolarHBondContact O-N 3.38Å; D160-I162 VanDerWaalsContact O-N 3.14Å; D160-Y163 WeakPolarHBondContact O-CB 3.26Å; D160-Y163 PolarHBondContact O-N 3.43Å
161	D	92.2	Very high	91.2	Very high	70 Å²	70	49.5 Å²	49.5	37%	0.374	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-67.7	-12.7	177.4	-53.7	-30.2	0	0	0	112	I148 I152 H158 I159 Y163 P164 Y165	I148-D161 HydrophobicContact CG2-CB 4.1Å; I152-D161 HydrophobicContact CD1-CB 4.45Å; H158-D161 WeakPolarHBondContact CA-OD2 3.48Å; H158-D161 PolarHBondContact N-OD2 3.17Å; H158-D161 VanDerWaalsContact O-CB 3.29Å; H158-D161 WeakPolarHBondContact O-CB 3.37Å; H158-D161 VanDerWaalsContact O-CG 3.25Å; H158-D161 PolarHBondContact O-N 2.81Å; H158-D161 VanDerWaalsContact O-OD2 3.08Å; I159-D161 PolarHBondContact O-N 2.85Å; D161-Y163 VanDerWaalsContact C-N 3.29Å; D161-P164 WeakPolarHBondContact O-CD 3.44Å; D161-Y165 WeakPolarHBondContact O-CD2 3.47Å
162	I	93.6	Very high	91.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-69.5	-27	169.3	-60.6	175.3	0	0	0	111.5	V100 F104 F131 L149 I152 I159 D160 Y165 F166	V100-I162 HydrophobicContact CG1-CD1 3.55Å; F104-I162 HydrophobicContact CD2-CB 4.05Å; F104-I162 HydrophobicContact CD2-CG2 4.25Å; F104-I162 HydrophobicContact CE2-CB 4.15Å; F104-I162 HydrophobicContact CE2-CG2 4.26Å; F104-I162 HydrophobicContact CG-CG2 4.46Å; F104-I162 HydrophobicContact CZ-CG2 4.46Å; F131-I162 HydrophobicContact CE1-CG2 3.59Å; F131-I162 HydrophobicContact CZ-CG2 3.95Å; L149-I162 HydrophobicContact CD2-CD1 4.14Å; L149-I162 HydrophobicContact CD2-CG1 4.17Å; I152-I162 HydrophobicContact CD1-CD1 3.92Å; I152-I162 HydrophobicContact CD1-CG1 3.52Å; I159-I162 WeakPolarHBondContact O-CB 3.29Å; I159-I162 WeakPolarHBondContact O-CG1 3.26Å; I159-I162 PolarHBondContact O-N 3.21Å; D160-I162 PolarHBondContact O-N 3.38Å; D160-I162 VanDerWaalsContact O-N 3.14Å; I162-Y165 WeakPolarHBondContact O-CB 3.24Å; I162-Y165 PolarHBondContact O-N 3.11Å; I162-Y165 VanDerWaalsContact O-N 3.13Å; I162-F166 HydrophobicContact CG2-CB 4.47Å; I162-F166 PolarHBondContact O-N 3.34Å
163	Y	93.9	Very high	91.1	Very high	18 Å²	18	51.1 Å²	51.1	7%	0.071	28%	0.278	C	S	.	.	H	α-helix	trans	-57.3	-44.1	-168.6	-175.2	-86.9	0	0	0	114.6	F104 M110 L113 A114 H117 D160 D161 Y165 F166 M167	F104-Y163 HydrophobicContact CE2-CD2 4.3Å; F104-Y163 HydrophobicContact CZ-CD2 4.11Å; M110-Y163 HydrophobicContact CB-CD2 4.45Å; M110-Y163 HydrophobicContact SD-CD2 3.71Å; M110-Y163 HydrophobicContact SD-CG 4.06Å; L113-Y163 HydrophobicContact CB-CE2 4.05Å; L113-Y163 HydrophobicContact CD2-CD1 3.8Å; L113-Y163 HydrophobicContact CD2-CD2 4.12Å; L113-Y163 HydrophobicContact CD2-CE1 3.64Å; L113-Y163 HydrophobicContact CD2-CE2 3.94Å; L113-Y163 HydrophobicContact CD2-CG 4.05Å; L113-Y163 HydrophobicContact CG-CE1 3.89Å; L113-Y163 HydrophobicContact CG-CE2 4Å; L113-Y163 PolarHBondContact O-OH 2.85Å; A114-Y163 VanDerWaalsContact CA-OH 3.31Å; A114-Y163 WeakPolarHBondContact CA-OH 3.46Å; A114-Y163 HydrophobicContact CB-CE2 4.25Å; A114-Y163 PolarHBondContact N-OH 3.49Å; H117-Y163 AromaticContact ND1-CE1 3.98Å; H117-Y163 AromaticContact ND1-CZ 3.87Å; H117-Y163 PolarHBondContact ND1-OH 3.45Å; D160-Y163 WeakPolarHBondContact O-CB 3.26Å; D160-Y163 PolarHBondContact O-N 3.43Å; D161-Y163 VanDerWaalsContact C-N 3.29Å; Y163-Y165 VanDerWaalsContact C-N 3.29Å; Y163-Y165 PolarHBondContact O-N 3.37Å; Y163-F166 HydrophobicContact CD2-CD1 4.42Å; Y163-F166 HydrophobicContact CE2-CD1 4.5Å; Y163-F166 PolarHBondContact O-N 2.85Å; Y163-M167 HydrophobicContact CE1-CB 4.27Å; Y163-M167 HydrophobicContact CE1-CE 4.28Å; Y163-M167 WeakPolarHBondContact O-CB 3.34Å; Y163-M167 PolarHBondContact O-N 2.84Å; Y163-M167 WeakPolarHBondContact OH-CE 3.44Å
164	P	93.8	Very high	91.2	Very high	78 Å²	78	49.4 Å²	49.4	51%	0.506	27%	0.266	S	S	.	.	H	α-helix	trans	-61.6	-36.9	178.1	-23.2	35.6	0	0	0	112.9	D161 R168	D161-P164 WeakPolarHBondContact O-CD 3.44Å; P164-R168 WeakPolarHBondContact O-CB 3.46Å; P164-R168 PolarHBondContact O-N 2.94Å
165	Y	93.3	Very high	91.2	Very high	43 Å²	43	47.6 Å²	47.6	17%	0.169	25%	0.253	C	S	.	.	H	α-helix	trans	-72.2	-44.1	177.5	-60.1	-88.7	0	0	0	111.8	D144 L145 I148 D161 I162 Y163 M167 R168 H169	D144-Y165 HydrophobicContact CB-CE1 4.17Å; D144-Y165 PolarHBondContact O-OH 2.66Å; D144-Y165 WeakPolarHBondContact OD2-CE1 3.45Å; L145-Y165 HydrophobicContact CB-CD1 3.83Å; L145-Y165 HydrophobicContact CB-CE1 4Å; L145-Y165 HydrophobicContact CD1-CD1 3.87Å; L145-Y165 HydrophobicContact CD1-CD2 4.37Å; L145-Y165 HydrophobicContact CD1-CG 3.76Å; L145-Y165 HydrophobicContact CG-CD1 4.35Å; I148-Y165 HydrophobicContact CB-CE2 4.33Å; I148-Y165 HydrophobicContact CG1-CE2 3.93Å; I148-Y165 HydrophobicContact CG2-CE2 4.31Å; D161-Y165 WeakPolarHBondContact O-CD2 3.47Å; I162-Y165 WeakPolarHBondContact O-CB 3.24Å; I162-Y165 PolarHBondContact O-N 3.11Å; I162-Y165 VanDerWaalsContact O-N 3.13Å; Y163-Y165 VanDerWaalsContact C-N 3.29Å; Y163-Y165 PolarHBondContact O-N 3.37Å; Y165-M167 VanDerWaalsContact C-N 3.3Å; Y165-M167 PolarHBondContact O-N 2.79Å; Y165-R168 PolarHBondContact O-N 2.96Å; Y165-H169 WeakPolarHBondContact O-CB 3.3Å; Y165-H169 PolarHBondContact O-N 2.85Å
166	F	94.2	Very high	91.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-57.3	-43.4	171.9	165.8	-105.5	0	0	0	111.5	F104 L119 F124 A127 F128 F131 I162 Y163 H169 A170	F104-F166 HydrophobicContact CE1-CB 4.13Å; F104-F166 AromaticContact CE1-CD1 3.98Å; F104-F166 HydrophobicContact CE1-CD1 3.98Å; F104-F166 HydrophobicContact CE1-CD2 4.19Å; F104-F166 AromaticContact CE1-CG 3.8Å; F104-F166 HydrophobicContact CE1-CG 3.8Å; F104-F166 HydrophobicContact CZ-CB 3.91Å; F104-F166 AromaticContact CZ-CD1 3.76Å; F104-F166 HydrophobicContact CZ-CD1 3.76Å; F104-F166 AromaticContact CZ-CG 3.83Å; F104-F166 HydrophobicContact CZ-CG 3.83Å; L119-F166 HydrophobicContact CD1-CE1 3.89Å; L119-F166 HydrophobicContact CD1-CZ 4.13Å; F124-F166 AromaticContact CD2-CE1 3.65Å; F124-F166 HydrophobicContact CD2-CE1 3.65Å; F124-F166 AromaticContact CD2-CZ 3.54Å; F124-F166 HydrophobicContact CD2-CZ 3.54Å; F124-F166 HydrophobicContact CE2-CD1 4.47Å; F124-F166 AromaticContact CE2-CE1 3.54Å; F124-F166 HydrophobicContact CE2-CE1 3.54Å; F124-F166 AromaticContact CE2-CZ 3.67Å; F124-F166 HydrophobicContact CE2-CZ 3.67Å; F124-F166 HydrophobicContact CG-CZ 4.41Å; A127-F166 HydrophobicContact CB-CE2 3.84Å; A127-F166 HydrophobicContact CB-CZ 4Å; F128-F166 HydrophobicContact CB-CE2 4.04Å; F131-F166 HydrophobicContact CB-CD2 4.12Å; F131-F166 HydrophobicContact CD1-CB 4.29Å; F131-F166 HydrophobicContact CD1-CD2 4.04Å; F131-F166 HydrophobicContact CE1-CB 4.19Å; F131-F166 HydrophobicContact CG-CD2 4.11Å; F131-F166 HydrophobicContact CZ-CB 4.43Å; I162-F166 HydrophobicContact CG2-CB 4.47Å; I162-F166 PolarHBondContact O-N 3.34Å; Y163-F166 HydrophobicContact CD2-CD1 4.42Å; Y163-F166 HydrophobicContact CE2-CD1 4.5Å; Y163-F166 PolarHBondContact O-N 2.85Å; F166-H169 PolarHBondContact O-N 2.89Å; F166-A170 WeakPolarHBondContact O-CB 3.21Å; F166-A170 PolarHBondContact O-N 3.37Å
167	M	93.8	Very high	91.1	Very high	16 Å²	16	38.3 Å²	38.3	8%	0.079	19%	0.192	C	C	.	.	H	α-helix	trans	-68.3	-40.9	178.3	-178.2	55.4	71.5	0	0	112.1	H117 L119 Y163 Y165 H169 A170 K171	H117-M167 HydrophobicContact CB-CE 3.59Å; L119-M167 HydrophobicContact CD1-CE 3.62Å; L119-M167 HydrophobicContact CD1-SD 4.12Å; L119-M167 HydrophobicContact CG-CE 4.38Å; Y163-M167 HydrophobicContact CE1-CB 4.27Å; Y163-M167 HydrophobicContact CE1-CE 4.28Å; Y163-M167 WeakPolarHBondContact O-CB 3.34Å; Y163-M167 PolarHBondContact O-N 2.84Å; Y163-M167 WeakPolarHBondContact OH-CE 3.44Å; Y165-M167 VanDerWaalsContact C-N 3.3Å; Y165-M167 PolarHBondContact O-N 2.79Å; M167-H169 VanDerWaalsContact C-N 3.3Å; M167-H169 PolarHBondContact O-N 3.32Å; M167-A170 PolarHBondContact O-N 3.15Å; M167-K171 HydrophobicContact CG-CD 4.1Å; M167-K171 WeakPolarHBondContact O-CB 3.37Å; M167-K171 VanDerWaalsContact O-CG 3.31Å; M167-K171 WeakPolarHBondContact O-CG 3.46Å; M167-K171 PolarHBondContact O-N 2.98Å; M167-K171 HydrophobicContact SD-CD 4.19Å; M167-K171 HydrophobicContact SD-CG 4.13Å
168	R	91.6	Very high	91.1	Very high	137 Å²	137	42 Å²	42	52%	0.517	21%	0.206	S	C	.	.	H	α-helix	trans	-56.7	-45.2	172.1	-173.9	-174.3	-71.1	161.8	-2.4	110.8	D144 P164 Y165 Q172	D144-R168 IonicContact OD2-NH1 2.69Å; D144-R168 PolarHBondContact OD2-NH1 3.46Å; P164-R168 WeakPolarHBondContact O-CB 3.46Å; P164-R168 PolarHBondContact O-N 2.94Å; Y165-R168 PolarHBondContact O-N 2.96Å; R168-Q172 WeakPolarHBondContact O-CG 3.32Å; R168-Q172 PolarHBondContact O-N 3.28Å
169	H	91.3	Very high	90.8	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.028	19%	0.187	C	C	.	.	H	α-helix	trans	-65.8	-42.8	176.2	-166.6	92.6	0	0	0	112.7	L74 S130 F131 Y134 Y165 F166 M167 K171 Q172 I173	L74-H169 WeakPolarHBondContact CD1-CE1 3.41Å; S130-H169 PolarHBondContact OG-NE2 2.89Å; F131-H169 WeakPolarHBondContact CA-NE2 3.46Å; F131-H169 HydrophobicContact CD2-CB 3.63Å; F131-H169 AromaticContact CD2-CG 3.58Å; F131-H169 AromaticContact CD2-ND1 3.88Å; F131-H169 HydrophobicContact CE2-CB 4.27Å; F131-H169 HydrophobicContact CG-CB 4.45Å; F131-H169 PolarHBondContact N-NE2 2.88Å; Y134-H169 VanDerWaalsContact CB-CE1 3.46Å; Y134-H169 WeakPolarHBondContact CB-CE1 3.37Å; Y134-H169 AromaticContact CD1-ND1 3.97Å; Y134-H169 AromaticContact CD2-CE1 3.87Å; Y134-H169 AromaticContact CG-CE1 3.52Å; Y134-H169 AromaticContact CG-ND1 3.92Å; Y165-H169 WeakPolarHBondContact O-CB 3.3Å; Y165-H169 PolarHBondContact O-N 2.85Å; F166-H169 PolarHBondContact O-N 2.89Å; M167-H169 VanDerWaalsContact C-N 3.3Å; M167-H169 PolarHBondContact O-N 3.32Å; H169-K171 VanDerWaalsContact C-N 3.33Å; H169-K171 PolarHBondContact O-N 3Å; H169-Q172 PolarHBondContact O-N 3.48Å; H169-I173 WeakPolarHBondContact CD2-CD1 3.45Å; H169-I173 WeakPolarHBondContact O-CG1 3.35Å; H169-I173 PolarHBondContact O-N 2.99Å; H169-I173 VanDerWaalsContact O-N 3.1Å
170	A	92.4	Very high	90.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.4	-39.6	178.6	0	0	0	0	0	112.2	L119 A127 F166 M167 I173 F174	L119-A170 HydrophobicContact CD1-CB 3.84Å; L119-A170 HydrophobicContact CD2-CB 4.27Å; A127-A170 HydrophobicContact CB-CB 3.7Å; F166-A170 WeakPolarHBondContact O-CB 3.21Å; F166-A170 PolarHBondContact O-N 3.37Å; M167-A170 PolarHBondContact O-N 3.15Å; A170-I173 PolarHBondContact O-N 3.09Å; A170-F174 PolarHBondContact O-N 2.91Å
171	K	90.8	Very high	90.3	Very high	65 Å²	65	40.4 Å²	40.4	28%	0.283	20%	0.201	S	C	.	.	H	α-helix	trans	-66.1	-36.8	174.9	-74.6	169.2	167.8	-141.7	0	113	M167 H169 I173 F174 P175 L177 D178	M167-K171 HydrophobicContact CG-CD 4.1Å; M167-K171 WeakPolarHBondContact O-CB 3.37Å; M167-K171 VanDerWaalsContact O-CG 3.31Å; M167-K171 WeakPolarHBondContact O-CG 3.46Å; M167-K171 PolarHBondContact O-N 2.98Å; M167-K171 HydrophobicContact SD-CD 4.19Å; M167-K171 HydrophobicContact SD-CG 4.13Å; H169-K171 VanDerWaalsContact C-N 3.33Å; H169-K171 PolarHBondContact O-N 3Å; K171-I173 VanDerWaalsContact C-N 3.34Å; K171-F174 CarbonylContact O-C 3.31Å; K171-F174 PolarHBondContact O-N 3.4Å; K171-P175 VanDerWaalsContact O-CA 3.28Å; K171-P175 WeakPolarHBondContact O-CA 3.31Å; K171-P175 VanDerWaalsContact O-N 3.1Å; K171-L177 HydrophobicContact CG-CB 4.22Å; K171-D178 WeakPolarHBondContact CB-OD2 3.22Å; K171-D178 VanDerWaalsContact CD-OD1 3.24Å; K171-D178 WeakPolarHBondContact CD-OD1 3.35Å; K171-D178 WeakPolarHBondContact CE-OD1 3.45Å; K171-D178 IonicContact NZ-OD1 3.04Å; K171-D178 PolarHBondContact NZ-OD1 2.92Å
172	Q	89	Confident	90.2	Very high	102 Å²	102	40.3 Å²	40.3	48%	0.477	20%	0.2	S	C	.	.	H	α-helix	trans	-67.3	-33.6	173.4	-67.5	171.3	-28.3	0	0	112.6	L74 R168 H169	L74-Q172 HydrophobicContact CD2-CB 3.58Å; R168-Q172 WeakPolarHBondContact O-CG 3.32Å; R168-Q172 PolarHBondContact O-N 3.28Å; H169-Q172 PolarHBondContact O-N 3.48Å
173	I	90.2	Very high	90	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.015	20%	0.2	C	C	.	.	H	α-helix	trans	-74.9	-37.1	174	-63.6	165.1	0	0	0	111.5	P71 V72 L74 A127 S130 H169 A170 K171 P175	P71-I173 HydrophobicContact CB-CG2 3.39Å; V72-I173 PolarHBondContact N-O 2.96Å; L74-I173 HydrophobicContact CD1-CG1 4.16Å; L74-I173 HydrophobicContact CD2-CG1 4.46Å; L74-I173 HydrophobicContact CG-CG1 4.29Å; A127-I173 HydrophobicContact CB-CD1 4.47Å; S130-I173 VanDerWaalsContact OG-CD1 3.3Å; S130-I173 WeakPolarHBondContact OG-CD1 3.28Å; H169-I173 WeakPolarHBondContact CD2-CD1 3.45Å; H169-I173 WeakPolarHBondContact O-CG1 3.35Å; H169-I173 PolarHBondContact O-N 2.99Å; H169-I173 VanDerWaalsContact O-N 3.1Å; A170-I173 PolarHBondContact O-N 3.09Å; K171-I173 VanDerWaalsContact C-N 3.34Å; I173-P175 WeakPolarHBondContact O-CD 3.28Å
174	F	90.4	Very high	89.9	Confident	1 Å²	1	43.1 Å²	43.1	0%	0.004	21%	0.211	C	C	.	.			trans	-125.6	76.5	-177.1	-58	-65.4	0	0	0	110.6	F69 P71 L119 L123 Q126 A127 A170 K171 M176 L177	F69-F174 HydrophobicContact CB-CD1 4.06Å; F69-F174 HydrophobicContact CB-CE1 4.4Å; P71-F174 HydrophobicContact CB-CE1 3.74Å; P71-F174 HydrophobicContact CB-CZ 3.99Å; P71-F174 HydrophobicContact CG-CE1 4.49Å; L119-F174 HydrophobicContact CD2-CD2 4.47Å; L123-F174 HydrophobicContact CB-CE2 4.25Å; L123-F174 HydrophobicContact CD2-CD1 3.99Å; L123-F174 HydrophobicContact CD2-CD2 4.18Å; L123-F174 HydrophobicContact CD2-CE1 3.69Å; L123-F174 HydrophobicContact CD2-CE2 3.9Å; L123-F174 HydrophobicContact CD2-CG 4.22Å; L123-F174 HydrophobicContact CD2-CZ 3.64Å; Q126-F174 HydrophobicContact CB-CE2 4.36Å; Q126-F174 HydrophobicContact CB-CZ 3.96Å; A127-F174 HydrophobicContact CB-CE2 4.17Å; A170-F174 PolarHBondContact O-N 2.91Å; K171-F174 CarbonylContact O-C 3.31Å; K171-F174 PolarHBondContact O-N 3.4Å; F174-M176 PolarHBondContact O-N 3.46Å; F174-L177 HydrophobicContact CB-CD1 3.8Å; F174-L177 HydrophobicContact CB-CG 4.02Å; F174-L177 HydrophobicContact CD2-CD1 4.5Å; F174-L177 WeakPolarHBondContact O-CB 3.35Å; F174-L177 WeakPolarHBondContact O-CG 3.47Å; F174-L177 PolarHBondContact O-N 2.6Å
175	P	88.1	Confident	89.7	Confident	42 Å²	42	45.7 Å²	45.7	27%	0.273	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-26.6	-176.5	-28.8	36.5	0	0	0	114.5	V72 K171 I173 L177 D178 C179 L528	V72-P175 HydrophobicContact CG2-CG 4.17Å; K171-P175 VanDerWaalsContact O-CA 3.28Å; K171-P175 WeakPolarHBondContact O-CA 3.31Å; K171-P175 VanDerWaalsContact O-N 3.1Å; I173-P175 WeakPolarHBondContact O-CD 3.28Å; P175-L177 PolarHBondContact O-N 3.42Å; P175-D178 PolarHBondContact O-N 2.79Å; P175-C179 PolarHBondContact O-SG 3.17Å; P175-L528 HydrophobicContact CB-CD2 4.06Å
176	M	84.8	Confident	89.6	Confident	10 Å²	10	44.7 Å²	44.7	5%	0.049	21%	0.211	C	C	.	.	H	α-helix	trans	-52	-27.9	172.9	-78.7	-171.5	-97.1	0	0	114.4	F69 F174 D178 M180 L183 L528 I539	F69-M176 HydrophobicContact CB-CE 3.8Å; F69-M176 HydrophobicContact CD1-CE 3.31Å; F69-M176 HydrophobicContact CD1-SD 3.43Å; F69-M176 WeakPolarHBondContact CD1-SD 3.21Å; F69-M176 HydrophobicContact CE1-CE 4.05Å; F69-M176 HydrophobicContact CE1-SD 3.49Å; F69-M176 WeakPolarHBondContact CE1-SD 3.48Å; F69-M176 HydrophobicContact CE2-CB 4.47Å; F69-M176 HydrophobicContact CG-CE 3.61Å; F69-M176 HydrophobicContact CG-SD 4.08Å; F69-M176 HydrophobicContact CZ-SD 4.18Å; F174-M176 PolarHBondContact O-N 3.46Å; M176-D178 PolarHBondContact O-N 2.69Å; M176-M180 HydrophobicContact CB-CE 4.07Å; M176-M180 WeakPolarHBondContact O-CB 3.42Å; M176-M180 PolarHBondContact O-N 2.89Å; M176-L183 HydrophobicContact CB-CD1 4.5Å; M176-L183 HydrophobicContact CG-CD1 3.94Å; M176-L528 HydrophobicContact CB-CD2 4.38Å; M176-L528 HydrophobicContact CG-CD1 3.56Å; M176-L528 HydrophobicContact CG-CD2 3.46Å; M176-L528 VanDerWaalsContact CG-CD2 3.46Å; M176-L528 HydrophobicContact CG-CG 4.15Å; M176-L528 HydrophobicContact SD-CD1 3.98Å; M176-I539 HydrophobicContact CE-CD1 3.42Å; M176-I539 VanDerWaalsContact CE-CD1 3.42Å; M176-I539 HydrophobicContact CE-CG1 4.05Å; M176-I539 HydrophobicContact SD-CB 4.42Å; M176-I539 HydrophobicContact SD-CD1 3.62Å; M176-I539 HydrophobicContact SD-CG1 3.89Å; M176-I539 HydrophobicContact SD-CG2 3.6Å
177	L	85.7	Confident	89.5	Confident	27 Å²	27	44.7 Å²	44.7	14%	0.141	21%	0.211	C	C	.	.	H	α-helix	trans	-67.9	-23.1	179.1	-62.5	173	0	0	0	113.1	L119 K171 F174 P175	L119-L177 HydrophobicContact CD2-CD1 3.45Å; L119-L177 VanDerWaalsContact CD2-CD1 3.45Å; L119-L177 HydrophobicContact CG-CD1 3.98Å; K171-L177 HydrophobicContact CG-CB 4.22Å; F174-L177 HydrophobicContact CB-CD1 3.8Å; F174-L177 HydrophobicContact CB-CG 4.02Å; F174-L177 HydrophobicContact CD2-CD1 4.5Å; F174-L177 WeakPolarHBondContact O-CB 3.35Å; F174-L177 WeakPolarHBondContact O-CG 3.47Å; F174-L177 PolarHBondContact O-N 2.6Å; P175-L177 PolarHBondContact O-N 3.42Å
178	D	87.4	Confident	89.5	Confident	103 Å²	103	46.2 Å²	46.2	55%	0.551	22%	0.22	S	C	*	.	H	α-helix	trans	-90.6	-35.1	176.7	-84.3	-33.7	0	0	0	113	K171 P175 M176	K171-D178 WeakPolarHBondContact CB-OD2 3.22Å; K171-D178 VanDerWaalsContact CD-OD1 3.24Å; K171-D178 WeakPolarHBondContact CD-OD1 3.35Å; K171-D178 WeakPolarHBondContact CE-OD1 3.45Å; K171-D178 IonicContact NZ-OD1 3.04Å; K171-D178 PolarHBondContact NZ-OD1 2.92Å; P175-D178 PolarHBondContact O-N 2.79Å; M176-D178 PolarHBondContact O-N 2.69Å
179	C	87.1	Confident	89.5	Confident	8 Å²	8	39.7 Å²	39.7	5%	0.054	20%	0.195	C	C	.	.	H	α-helix	trans	-103.7	7.1	-174.1	61	0	0	0	0	115	P175 D181 D182 L183 Q527	P175-C179 PolarHBondContact O-SG 3.17Å; C179-D181 VanDerWaalsContact C-N 3.29Å; C179-D181 PolarHBondContact O-N 3.09Å; C179-D181 VanDerWaalsContact O-N 3.13Å; C179-D182 WeakPolarHBondContact O-CA 3.29Å; C179-D182 PolarHBondContact O-N 3.15Å; C179-L183 WeakPolarHBondContact O-CG 3.31Å; C179-L183 PolarHBondContact O-N 2.82Å; C179-Q527 HydrophobicContact CB-CB 4.38Å
180	M	85.3	Confident	89.6	Confident	23 Å²	23	45 Å²	45	11%	0.113	22%	0.215	C	C	.	.	H	α-helix	trans	-49.7	-42.4	-173.7	-170.2	58.5	60.7	0	0	114.5	P64 F69 M176 R184 L543	P64-M180 HydrophobicContact CB-SD 4.41Å; F69-M180 HydrophobicContact CE1-CE 4.45Å; F69-M180 HydrophobicContact CE2-CE 4.02Å; F69-M180 HydrophobicContact CZ-CE 3.55Å; M176-M180 HydrophobicContact CB-CE 4.07Å; M176-M180 WeakPolarHBondContact O-CB 3.42Å; M176-M180 PolarHBondContact O-N 2.89Å; M180-R184 WeakPolarHBondContact O-CB 3.31Å; M180-R184 VanDerWaalsContact O-CG 3.27Å; M180-R184 WeakPolarHBondContact O-CG 3.3Å; M180-R184 PolarHBondContact O-N 2.84Å; M180-L543 HydrophobicContact SD-CD1 3.97Å; M180-L543 HydrophobicContact SD-CD2 3.64Å; M180-L543 HydrophobicContact SD-CG 4.49Å
181	D	86.7	Confident	89.6	Confident	97 Å²	97	48.3 Å²	48.3	52%	0.519	24%	0.235	S	C	.	.	H	α-helix	trans	-75.4	-24.3	-179.9	-73.5	-22.7	0	0	0	113.2	C179 R184 K185	C179-D181 VanDerWaalsContact C-N 3.29Å; C179-D181 PolarHBondContact O-N 3.09Å; C179-D181 VanDerWaalsContact O-N 3.13Å; D181-R184 IonicContact OD1-CZ 3.29Å; D181-R184 IonicContact OD1-NH1 2.95Å; D181-R184 PolarHBondContact OD1-NH1 3.29Å; D181-K185 WeakPolarHBondContact O-CD 3.17Å; D181-K185 WeakPolarHBondContact O-CE 3.24Å; D181-K185 VanDerWaalsContact O-CG 3.25Å; D181-K185 WeakPolarHBondContact O-CG 3.32Å; D181-K185 PolarHBondContact O-N 3.24Å
182	D	90.6	Very high	89.8	Confident	67 Å²	67	45.2 Å²	45.2	36%	0.358	22%	0.222	S	C	.	.	H	α-helix	trans	-78.7	-42	172.2	-67.4	-32.7	0	0	0	110.9	C179 R184 K185 I186	C179-D182 WeakPolarHBondContact O-CA 3.29Å; C179-D182 PolarHBondContact O-N 3.15Å; D182-R184 VanDerWaalsContact C-N 3.3Å; D182-R184 PolarHBondContact O-N 2.8Å; D182-K185 PolarHBondContact O-N 2.86Å; D182-K185 VanDerWaalsContact O-N 3.08Å; D182-K185 IonicContact OD1-NZ 2.72Å; D182-K185 PolarHBondContact OD1-NZ 2.69Å; D182-I186 WeakPolarHBondContact O-CD1 3.44Å; D182-I186 VanDerWaalsContact O-CG1 3.23Å; D182-I186 WeakPolarHBondContact O-CG1 3.1Å; D182-I186 PolarHBondContact O-N 2.64Å
183	L	90.6	Very high	90.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-54.6	-47	171.4	-63	177.1	0	0	0	111.1	M176 C179 K185 I186 S187 F524 Q527 L528 L543	M176-L183 HydrophobicContact CB-CD1 4.5Å; M176-L183 HydrophobicContact CG-CD1 3.94Å; C179-L183 WeakPolarHBondContact O-CG 3.31Å; C179-L183 PolarHBondContact O-N 2.82Å; L183-K185 VanDerWaalsContact C-N 3.32Å; L183-K185 PolarHBondContact O-N 2.95Å; L183-I186 PolarHBondContact O-N 2.89Å; L183-I186 VanDerWaalsContact O-N 3.13Å; L183-S187 PolarHBondContact O-N 3.31Å; L183-S187 PolarHBondContact O-OG 2.92Å; L183-S187 VanDerWaalsContact O-OG 3.06Å; L183-F524 HydrophobicContact CB-CE1 4.17Å; L183-F524 HydrophobicContact CB-CZ 3.91Å; L183-F524 HydrophobicContact CD2-CD1 3.8Å; L183-F524 HydrophobicContact CD2-CD2 4.32Å; L183-F524 HydrophobicContact CD2-CE1 3.82Å; L183-F524 HydrophobicContact CD2-CE2 4.34Å; L183-F524 HydrophobicContact CD2-CG 4.05Å; L183-F524 HydrophobicContact CD2-CZ 4.08Å; L183-F524 HydrophobicContact CG-CE1 4.45Å; L183-F524 WeakPolarHBondContact O-CE2 3.29Å; L183-F524 WeakPolarHBondContact O-CZ 3.36Å; L183-Q527 HydrophobicContact CD2-CB 3.84Å; L183-Q527 HydrophobicContact CD2-CG 4.18Å; L183-L528 HydrophobicContact CD1-CD1 4Å; L183-L528 HydrophobicContact CD2-CD1 4.3Å; L183-L528 HydrophobicContact CD2-CG 4.48Å; L183-L543 HydrophobicContact CB-CD1 3.63Å; L183-L543 HydrophobicContact CD1-CD1 4.03Å; L183-L543 HydrophobicContact CG-CD1 4.48Å
184	R	90	Very high	90.3	Very high	78 Å²	78	45.7 Å²	45.7	29%	0.294	23%	0.228	S	C	.	.	H	α-helix	trans	-58.4	-35.9	175.5	-77.5	169.3	176.5	154.9	-1.6	114.2	M180 D181 D182 D188	M180-R184 WeakPolarHBondContact O-CB 3.31Å; M180-R184 VanDerWaalsContact O-CG 3.27Å; M180-R184 WeakPolarHBondContact O-CG 3.3Å; M180-R184 PolarHBondContact O-N 2.84Å; D181-R184 IonicContact OD1-CZ 3.29Å; D181-R184 IonicContact OD1-NH1 2.95Å; D181-R184 PolarHBondContact OD1-NH1 3.29Å; D182-R184 VanDerWaalsContact C-N 3.3Å; D182-R184 PolarHBondContact O-N 2.8Å; R184-D188 PolarHBondContact O-N 2.82Å
185	K	90.8	Very high	90.4	Very high	132 Å²	132	49.3 Å²	49.3	57%	0.574	24%	0.242	S	C	*	.	H	α-helix	trans	-71.8	-37.6	175.8	-67.6	161	-154.8	157.9	0	111.2	D181 D182 L183 D188	D181-K185 WeakPolarHBondContact O-CD 3.17Å; D181-K185 WeakPolarHBondContact O-CE 3.24Å; D181-K185 VanDerWaalsContact O-CG 3.25Å; D181-K185 WeakPolarHBondContact O-CG 3.32Å; D181-K185 PolarHBondContact O-N 3.24Å; D182-K185 PolarHBondContact O-N 2.86Å; D182-K185 VanDerWaalsContact O-N 3.08Å; D182-K185 IonicContact OD1-NZ 2.72Å; D182-K185 PolarHBondContact OD1-NZ 2.69Å; L183-K185 VanDerWaalsContact C-N 3.32Å; L183-K185 PolarHBondContact O-N 2.95Å; K185-D188 WeakPolarHBondContact O-CB 3.39Å; K185-D188 PolarHBondContact O-N 3.23Å
186	I	91.2	Very high	90.8	Very high	21 Å²	21	48.7 Å²	48.7	11%	0.108	23%	0.234	C	C	.	.	H	α-helix	trans	-73.9	-34.3	-178.4	-59.8	158.2	0	0	0	110.9	D182 L183 D188 Q520 M523 F524 Q527	D182-I186 WeakPolarHBondContact O-CD1 3.44Å; D182-I186 VanDerWaalsContact O-CG1 3.23Å; D182-I186 WeakPolarHBondContact O-CG1 3.1Å; D182-I186 PolarHBondContact O-N 2.64Å; L183-I186 PolarHBondContact O-N 2.89Å; L183-I186 VanDerWaalsContact O-N 3.13Å; I186-D188 VanDerWaalsContact C-N 3.34Å; I186-Q520 HydrophobicContact CG2-CB 4.38Å; I186-Q520 HydrophobicContact CG2-CG 4.46Å; I186-Q520 PolarHBondContact O-NE2 3.48Å; I186-M523 HydrophobicContact CD1-CB 4.09Å; I186-M523 HydrophobicContact CD1-CE 4.34Å; I186-M523 HydrophobicContact CG1-CB 4.43Å; I186-M523 HydrophobicContact CG1-CE 3.93Å; I186-M523 HydrophobicContact CG2-CB 3.78Å; I186-M523 HydrophobicContact CG2-SD 4.34Å; I186-F524 HydrophobicContact CB-CD2 3.97Å; I186-F524 HydrophobicContact CB-CE2 3.65Å; I186-F524 HydrophobicContact CG2-CD2 3.52Å; I186-F524 HydrophobicContact CG2-CE2 3.63Å; I186-Q527 HydrophobicContact CD1-CG 4.45Å
187	S	91.6	Very high	91.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	13.6	172.7	65.3	0	0	0	0	114.1	L183 L189 L543 S544 Q545	L183-S187 PolarHBondContact O-N 3.31Å; L183-S187 PolarHBondContact O-OG 2.92Å; L183-S187 VanDerWaalsContact O-OG 3.06Å; S187-L189 PolarHBondContact O-N 2.79Å; S187-L543 PolarHBondContact OG-O 3.13Å; S187-S544 VanDerWaalsContact O-CA 3.29Å; S187-S544 WeakPolarHBondContact O-CA 3.48Å; S187-Q545 PolarHBondContact O-N 3.39Å
188	D	93	Very high	91.8	Very high	49 Å²	49	54.9 Å²	54.9	26%	0.262	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-74.3	105.3	171.1	-166.9	-5	0	0	0	108.8	R184 K185 I186 R190	R184-D188 PolarHBondContact O-N 2.82Å; K185-D188 WeakPolarHBondContact O-CB 3.39Å; K185-D188 PolarHBondContact O-N 3.23Å; I186-D188 VanDerWaalsContact C-N 3.34Å; D188-R190 WeakPolarHBondContact OD1-CB 3.28Å; D188-R190 VanDerWaalsContact OD1-CG 3.3Å; D188-R190 WeakPolarHBondContact OD1-CG 3.25Å; D188-R190 IonicContact OD1-CZ 3.6Å; D188-R190 PolarHBondContact OD1-N 2.91Å; D188-R190 IonicContact OD1-NE 3.55Å; D188-R190 PolarHBondContact OD1-NE 2.8Å; D188-R190 IonicContact OD1-NH2 3.21Å; D188-R190 IonicContact OD2-CZ 3.75Å; D188-R190 IonicContact OD2-NE 2.77Å; D188-R190 PolarHBondContact OD2-NE 2.84Å; D188-R190 IonicContact OD2-NH2 3.42Å; D188-R190 PolarHBondContact OD2-NH2 2.95Å
189	L	93.6	Very high	92.3	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.243	C	C	.	.			trans	-102.3	14.6	-179	-57.7	-172.7	0	0	0	112.5	S187 P192 W195 L514 F540 Q545 V546 V552	S187-L189 PolarHBondContact O-N 2.79Å; L189-P192 WeakPolarHBondContact O-CD 3.42Å; L189-P192 WeakPolarHBondContact O-CG 3.4Å; L189-W195 HydrophobicContact CB-CH2 4.3Å; L189-W195 HydrophobicContact CB-CZ2 3.98Å; L189-W195 HydrophobicContact CD2-CH2 3.79Å; L189-W195 HydrophobicContact CD2-CZ2 3.72Å; L189-W195 HydrophobicContact CG-CH2 4.48Å; L189-W195 HydrophobicContact CG-CZ2 4.42Å; L189-L514 HydrophobicContact CB-CD1 4.25Å; L189-F540 HydrophobicContact CD1-CE1 4.15Å; L189-F540 HydrophobicContact CD2-CE1 4.49Å; L189-F540 HydrophobicContact CD2-CZ 4.03Å; L189-F540 HydrophobicContact CG-CZ 4.47Å; L189-Q545 CarbonylContact C-O 3.5Å; L189-Q545 VanDerWaalsContact CA-O 3.28Å; L189-Q545 WeakPolarHBondContact CA-O 2.95Å; L189-Q545 WeakPolarHBondContact CB-O 3.38Å; L189-Q545 PolarHBondContact N-O 2.8Å; L189-V546 HydrophobicContact CB-CG1 3.96Å; L189-V546 HydrophobicContact CD1-CG1 4.26Å; L189-V552 HydrophobicContact CD1-CG2 4.03Å
190	R	92.5	Very high	92.8	Very high	116 Å²	116	52.9 Å²	52.9	44%	0.438	25%	0.252	S	S	.	.			trans	-71	152.2	175.6	-62.4	176.4	-64.5	170.6	3.6	111.2	D188 Q545 D547	D188-R190 WeakPolarHBondContact OD1-CB 3.28Å; D188-R190 VanDerWaalsContact OD1-CG 3.3Å; D188-R190 WeakPolarHBondContact OD1-CG 3.25Å; D188-R190 IonicContact OD1-CZ 3.6Å; D188-R190 PolarHBondContact OD1-N 2.91Å; D188-R190 IonicContact OD1-NE 3.55Å; D188-R190 PolarHBondContact OD1-NE 2.8Å; D188-R190 IonicContact OD1-NH2 3.21Å; D188-R190 IonicContact OD2-CZ 3.75Å; D188-R190 IonicContact OD2-NE 2.77Å; D188-R190 PolarHBondContact OD2-NE 2.84Å; D188-R190 IonicContact OD2-NH2 3.42Å; D188-R190 PolarHBondContact OD2-NH2 2.95Å; R190-Q545 HydrophobicContact CG-CB 4.36Å; R190-Q545 PolarHBondContact N-O 2.91Å; R190-D547 WeakPolarHBondContact CA-OD2 3.42Å; R190-D547 WeakPolarHBondContact CG-OD1 3.47Å
191	V	92.7	Very high	93.3	Very high	70 Å²	70	55.8 Å²	55.8	42%	0.424	28%	0.28	S	S	.	.			trans	49.6	57.6	-173.8	-155.1	0	0	0	0	113.8	P193 N194 D547	V191-P193 VanDerWaalsContact C-N 3.27Å; V191-P193 WeakPolarHBondContact O-CD 3.45Å; V191-P193 VanDerWaalsContact O-N 3.1Å; V191-N194 HydrophobicContact CG1-CB 4.48Å; V191-N194 VanDerWaalsContact CG1-ND2 3.34Å; V191-N194 WeakPolarHBondContact CG1-ND2 3.4Å; V191-N194 WeakPolarHBondContact O-CB 3.26Å; V191-N194 PolarHBondContact O-N 2.81Å; V191-D547 PolarHBondContact N-OD2 2.83Å
192	P	94.9	Very high	93.8	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.006	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-49.4	-30.6	174.7	-27.7	36.6	0	0	0	117	L189 N194 W195 L314 L514 Y550	L189-P192 WeakPolarHBondContact O-CD 3.42Å; L189-P192 WeakPolarHBondContact O-CG 3.4Å; P192-N194 PolarHBondContact O-N 3.26Å; P192-N194 VanDerWaalsContact O-N 3.09Å; P192-W195 HydrophobicContact CB-CD2 4.49Å; P192-W195 HydrophobicContact CB-CZ2 4.27Å; P192-W195 HydrophobicContact CG-CZ2 4.27Å; P192-W195 WeakPolarHBondContact O-CB 3.41Å; P192-W195 PolarHBondContact O-N 3.4Å; P192-L314 HydrophobicContact CB-CD1 3.83Å; P192-L514 HydrophobicContact CB-CD2 4.07Å; P192-L514 HydrophobicContact CG-CD1 3.71Å; P192-L514 HydrophobicContact CG-CD2 3.94Å; P192-L514 HydrophobicContact CG-CG 4.48Å; P192-Y550 HydrophobicContact CB-CE1 4.24Å; P192-Y550 HydrophobicContact CG-CD1 4.21Å; P192-Y550 HydrophobicContact CG-CD2 4.12Å; P192-Y550 HydrophobicContact CG-CE1 3.86Å; P192-Y550 HydrophobicContact CG-CE2 3.76Å; P192-Y550 HydrophobicContact CG-CG 4.32Å
193	P	95.4	Very high	94.1	Very high	5 Å²	5	60 Å²	60	3%	0.032	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-57.1	-23.8	175.5	-28.4	36.3	0	0	0	115.2	V191 W195 Y196 R200 L314 T340	V191-P193 VanDerWaalsContact C-N 3.27Å; V191-P193 WeakPolarHBondContact O-CD 3.45Å; V191-P193 VanDerWaalsContact O-N 3.1Å; P193-W195 VanDerWaalsContact C-N 3.26Å; P193-W195 PolarHBondContact O-N 3.03Å; P193-Y196 PolarHBondContact O-N 3.09Å; P193-R200 WeakPolarHBondContact O-CG 3.29Å; P193-R200 PolarHBondContact O-NH1 2.9Å; P193-L314 HydrophobicContact CG-CD1 4.23Å; P193-L314 HydrophobicContact CG-CD2 4.12Å; P193-T340 HydrophobicContact CB-CG2 3.8Å; P193-T340 HydrophobicContact CG-CG2 3.75Å
194	N	93.8	Very high	94.5	Very high	110 Å²	110	60.3 Å²	60.3	59%	0.588	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-73.4	-14.9	178.5	-71	-11.5	0	0	0	113.3	V191 P192 Y196	V191-N194 HydrophobicContact CG1-CB 4.48Å; V191-N194 VanDerWaalsContact CG1-ND2 3.34Å; V191-N194 WeakPolarHBondContact CG1-ND2 3.4Å; V191-N194 WeakPolarHBondContact O-CB 3.26Å; V191-N194 PolarHBondContact O-N 2.81Å; P192-N194 PolarHBondContact O-N 3.26Å; P192-N194 VanDerWaalsContact O-N 3.09Å; N194-Y196 PolarHBondContact O-N 3.3Å
195	W	93	Very high	94.9	Very high	76 Å²	76	58.9 Å²	58.9	29%	0.288	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-74.8	-8.3	178.2	-52.2	-4.1	0	0	0	112.7	L189 P192 P193 P197 L514	L189-W195 HydrophobicContact CB-CH2 4.3Å; L189-W195 HydrophobicContact CB-CZ2 3.98Å; L189-W195 HydrophobicContact CD2-CH2 3.79Å; L189-W195 HydrophobicContact CD2-CZ2 3.72Å; L189-W195 HydrophobicContact CG-CH2 4.48Å; L189-W195 HydrophobicContact CG-CZ2 4.42Å; P192-W195 HydrophobicContact CB-CD2 4.49Å; P192-W195 HydrophobicContact CB-CZ2 4.27Å; P192-W195 HydrophobicContact CG-CZ2 4.27Å; P192-W195 WeakPolarHBondContact O-CB 3.41Å; P192-W195 PolarHBondContact O-N 3.4Å; P193-W195 VanDerWaalsContact C-N 3.26Å; P193-W195 PolarHBondContact O-N 3.03Å; W195-P197 VanDerWaalsContact C-CD 3.46Å; W195-P197 WeakPolarHBondContact O-CD 3.49Å; W195-L514 HydrophobicContact CH2-CD1 4.35Å; W195-L514 HydrophobicContact CH2-CD2 4.05Å; W195-L514 HydrophobicContact CZ3-CD2 4.21Å
196	Y	96	Very high	95.2	Very high	30 Å²	30	52.6 Å²	52.6	12%	0.118	27%	0.266	C	S	.	.			trans	-125.1	65.5	-176.1	-49.4	-70.1	0	0	0	110.9	P193 N194 E198 A199 R200 V285 R311 L314	P193-Y196 PolarHBondContact O-N 3.09Å; N194-Y196 PolarHBondContact O-N 3.3Å; Y196-E198 PolarHBondContact O-N 2.92Å; Y196-A199 PolarHBondContact O-N 3.11Å; Y196-A199 VanDerWaalsContact O-N 3.13Å; Y196-R200 PolarHBondContact O-N 3.45Å; Y196-R200 VanDerWaalsContact O-N 3.12Å; Y196-V285 HydrophobicContact CD1-CB 4.37Å; Y196-V285 HydrophobicContact CD1-CG2 4.26Å; Y196-V285 HydrophobicContact CE1-CG2 4.39Å; Y196-R311 HydrophobicContact CE1-CG 4.08Å; Y196-L314 HydrophobicContact CD2-CB 3.68Å; Y196-L314 HydrophobicContact CE2-CB 3.72Å
197	P	95.9	Very high	95.6	Very high	73 Å²	73	52.1 Å²	52.1	47%	0.474	26%	0.263	S	S	.	.	H	α-helix	trans	-61.6	-31.2	-174.1	24.8	-32.7	0	0	0	112.9	W195 R200 A201	W195-P197 VanDerWaalsContact C-CD 3.46Å; W195-P197 WeakPolarHBondContact O-CD 3.49Å; P197-R200 PolarHBondContact O-N 3.12Å; P197-A201 WeakPolarHBondContact O-CB 3.32Å; P197-A201 PolarHBondContact O-N 3.04Å
198	E	96.2	Very high	95.9	Very high	93 Å²	93	52.1 Å²	52.1	44%	0.435	26%	0.263	S	S	.	.	H	α-helix	trans	-62.7	-43.1	175.3	-62.4	75.6	-168.7	0	0	111.4	Y196 R200 A201 C317	Y196-E198 PolarHBondContact O-N 2.92Å; E198-R200 VanDerWaalsContact C-N 3.34Å; E198-R200 PolarHBondContact O-N 3.2Å; E198-A201 PolarHBondContact O-N 2.78Å; E198-C317 WeakPolarHBondContact CB-SG 3.28Å
199	A	97.3	Very high	96.2	Very high	1 Å²	1	50 Å²	50	1%	0.008	25%	0.252	C	S	.	.	H	α-helix	trans	-71	-28.3	176.6	0	0	0	0	0	112.6	Y196 A201 C317	Y196-A199 PolarHBondContact O-N 3.11Å; Y196-A199 VanDerWaalsContact O-N 3.13Å; A199-A201 VanDerWaalsContact C-N 3.35Å; A199-C317 PolarHBondContact N-SG 3.3Å
200	R	97.3	Very high	96.3	Very high	68 Å²	68	50.2 Å²	50.2	26%	0.257	25%	0.253	S	S	.	.	H	α-helix	trans	-77	-18.4	171.7	-60.6	-64.2	78.7	67.2	-0.7	113.4	P193 Y196 P197 E198 I202 L314 E342	P193-R200 WeakPolarHBondContact O-CG 3.29Å; P193-R200 PolarHBondContact O-NH1 2.9Å; Y196-R200 PolarHBondContact O-N 3.45Å; Y196-R200 VanDerWaalsContact O-N 3.12Å; P197-R200 PolarHBondContact O-N 3.12Å; E198-R200 VanDerWaalsContact C-N 3.34Å; E198-R200 PolarHBondContact O-N 3.2Å; R200-I202 VanDerWaalsContact C-N 3.35Å; R200-L314 PolarHBondContact NH1-O 3.17Å; R200-L314 PolarHBondContact NH2-O 3.04Å; R200-E342 IonicContact CZ-OE1 2.9Å; R200-E342 IonicContact NE-OE1 3.97Å; R200-E342 IonicContact NH2-OE1 2.8Å; R200-E342 PolarHBondContact NH2-OE1 2.76Å; R200-E342 IonicContact NH2-OE2 3.46Å
201	A	96.8	Very high	96.3	Very high	84 Å²	84	45 Å²	45	69%	0.694	24%	0.235	S	C	*	.	S	Bend	trans	-83.7	-9	-178.4	0	0	0	0	0	113.8	P197 E198 A199	P197-A201 WeakPolarHBondContact O-CB 3.32Å; P197-A201 PolarHBondContact O-N 3.04Å; E198-A201 PolarHBondContact O-N 2.78Å; A199-A201 VanDerWaalsContact C-N 3.35Å
202	I	96.4	Very high	96.2	Very high	75 Å²	75	44.7 Å²	44.7	39%	0.385	24%	0.235	S	C	.	.	S	Bend	trans	-117.7	155.5	178.6	61.8	166.5	0	0	0	111.1	R200 R204 C317	R200-I202 VanDerWaalsContact C-N 3.35Å; I202-R204 HydrophobicContact CD1-CG 3.92Å; I202-R204 HydrophobicContact CG1-CG 3.76Å; I202-R204 PolarHBondContact O-N 2.74Å; I202-C317 HydrophobicContact CD1-CB 4.2Å
203	Q	96.8	Very high	95.7	Very high	177 Å²	177	45.8 Å²	45.8	83%	0.827	24%	0.241	S	C	*	.			trans	-77.9	120.4	168.7	-176	174.8	-2.2	0	0	108.8
204	R	98.3	Very high	95.3	Very high	7 Å²	7	46.6 Å²	46.6	3%	0.026	25%	0.245	C	C	.	.			trans	-115	139.6	175.9	-47.2	-167.9	-52.1	150.8	15.8	109.9	I202 L313 L316 A318 I321 E342	I202-R204 HydrophobicContact CD1-CG 3.92Å; I202-R204 HydrophobicContact CG1-CG 3.76Å; I202-R204 PolarHBondContact O-N 2.74Å; R204-L313 PolarHBondContact NH1-O 2.82Å; R204-L313 PolarHBondContact NH2-O 3.01Å; R204-L316 WeakPolarHBondContact CD-O 3.4Å; R204-L316 PolarHBondContact NH1-O 2.93Å; R204-A318 WeakPolarHBondContact CG-O 3.29Å; R204-I321 HydrophobicContact CB-CD1 4.36Å; R204-I321 VanDerWaalsContact CZ-CD1 3.41Å; R204-E342 HydrophobicContact CB-CG 4.46Å; R204-E342 IonicContact CZ-OE1 2.73Å; R204-E342 VanDerWaalsContact CZ-OE1 3.28Å; R204-E342 IonicContact CZ-OE2 2.65Å; R204-E342 IonicContact NE-OE1 2.64Å; R204-E342 PolarHBondContact NE-OE1 3.22Å; R204-E342 IonicContact NE-OE2 3.84Å; R204-E342 VanDerWaalsContact NH2-CD 3.27Å; R204-E342 IonicContact NH2-OE1 2.72Å; R204-E342 PolarHBondContact NH2-OE1 2.83Å; R204-E342 IonicContact NH2-OE2 2.8Å; R204-E342 PolarHBondContact NH2-OE2 2.86Å
205	K	98.3	Very high	95	Very high	49 Å²	49	41.6 Å²	41.6	21%	0.213	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	132.3	171.5	175.9	168.5	171.1	157.5	0	110.1	I207 E319 E320 I321 E343 E345	K205-I207 HydrophobicContact CG-CG1 4.36Å; K205-E319 PolarHBondContact N-O 2.81Å; K205-E320 CarbonylContact O-C 3.55Å; K205-E320 WeakPolarHBondContact O-CA 3.23Å; K205-I321 PolarHBondContact O-N 2.96Å; K205-E343 VanDerWaalsContact CE-OE1 3.28Å; K205-E343 WeakPolarHBondContact CE-OE1 3.35Å; K205-E343 HydrophobicContact CG-CB 4.44Å; K205-E343 IonicContact NZ-OE1 2.77Å; K205-E343 PolarHBondContact NZ-OE1 2.96Å; K205-E345 WeakPolarHBondContact CE-OE2 3.2Å; K205-E345 IonicContact NZ-OE2 2.66Å; K205-E345 PolarHBondContact NZ-OE2 2.81Å
206	V	98.6	Very high	94.8	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	129.8	176.9	-178.6	0	0	0	0	109.9	I321 V323 I333 M337 E343 V344 E345	V206-I321 CarbonylContact C-O 3.59Å; V206-I321 WeakPolarHBondContact CA-O 3.4Å; V206-I321 HydrophobicContact CG2-CB 4.39Å; V206-V323 HydrophobicContact CG1-CG1 4.25Å; V206-V323 HydrophobicContact CG1-CG2 4.1Å; V206-I333 HydrophobicContact CG1-CG2 4.48Å; V206-M337 HydrophobicContact CG2-CG 3.95Å; V206-M337 HydrophobicContact CG2-SD 3.72Å; V206-E343 PolarHBondContact N-O 2.94Å; V206-V344 HydrophobicContact CB-CG2 4.26Å; V206-V344 HydrophobicContact CG1-CG1 4.37Å; V206-V344 WeakPolarHBondContact O-CA 3.22Å; V206-E345 PolarHBondContact O-N 3.23Å
207	I	98.7	Very high	94.7	Very high	10 Å²	10	38.1 Å²	38.1	5%	0.051	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	105.7	177.6	-61.1	168	0	0	0	107.7	K205 E320 I321 H322 V323 E345	K205-I207 HydrophobicContact CG-CG1 4.36Å; I207-E320 HydrophobicContact CD1-CB 4.46Å; I207-E320 HydrophobicContact CD1-CG 4.39Å; I207-I321 PolarHBondContact N-O 3.01Å; I207-H322 VanDerWaalsContact CD1-CE1 3.45Å; I207-H322 WeakPolarHBondContact CD1-CE1 3.34Å; I207-H322 CarbonylContact O-C 3.53Å; I207-H322 WeakPolarHBondContact O-CA 3.19Å; I207-V323 PolarHBondContact O-N 2.89Å; I207-E345 CarbonylContact C-O 3.55Å; I207-E345 WeakPolarHBondContact CA-O 3.24Å
208	F	98.6	Very high	94.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	108.5	-178.5	-161.4	-52.2	0	0	0	110.5	S210 I297 V323 A329 V330 I333 E345 V346 H347	F208-S210 PolarHBondContact O-N 2.98Å; F208-I297 HydrophobicContact CE1-CG2 4.45Å; F208-I297 HydrophobicContact CE2-CG2 4.07Å; F208-I297 HydrophobicContact CZ-CG2 3.76Å; F208-V323 HydrophobicContact CB-CG2 3.75Å; F208-V323 HydrophobicContact CD1-CG2 4.27Å; F208-V323 HydrophobicContact CD2-CG2 3.46Å; F208-V323 VanDerWaalsContact CD2-CG2 3.46Å; F208-V323 HydrophobicContact CE2-CG2 4.07Å; F208-V323 HydrophobicContact CG-CG2 3.56Å; F208-A329 HydrophobicContact CE2-CB 4.25Å; F208-A329 HydrophobicContact CZ-CB 4Å; F208-V330 HydrophobicContact CD1-CG2 3.91Å; F208-V330 HydrophobicContact CD2-CG2 4.23Å; F208-V330 HydrophobicContact CE1-CG2 3.67Å; F208-V330 HydrophobicContact CE2-CB 4.41Å; F208-V330 HydrophobicContact CE2-CG2 3.97Å; F208-V330 HydrophobicContact CG-CG2 4.22Å; F208-V330 HydrophobicContact CZ-CG2 3.7Å; F208-I333 HydrophobicContact CD2-CB 4.07Å; F208-I333 HydrophobicContact CD2-CG1 4.38Å; F208-I333 HydrophobicContact CD2-CG2 4.04Å; F208-I333 HydrophobicContact CE2-CB 3.98Å; F208-I333 HydrophobicContact CE2-CG1 3.86Å; F208-I333 HydrophobicContact CE2-CG2 4.37Å; F208-E345 PolarHBondContact N-O 3.16Å; F208-V346 HydrophobicContact CB-CG2 4.3Å; F208-H347 PolarHBondContact O-N 3.17Å
209	H	98.4	Very high	94.3	Very high	5 Å²	5	38.7 Å²	38.7	2%	0.023	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	91.2	169.7	-56.7	-83.1	0	0	0	110.4	K217 H322 V323 G325 H347 Y349	H209-K217 HydrophobicContact CB-CB 3.89Å; H209-K217 WeakPolarHBondContact O-CD 3.48Å; H209-H322 AromaticContact CD2-ND1 3.86Å; H209-H322 AromaticContact CE1-ND1 3.81Å; H209-H322 AromaticContact NE2-CE1 3.9Å; H209-H322 AromaticContact NE2-CG 3.72Å; H209-H322 AromaticContact NE2-ND1 2.86Å; H209-H322 PolarHBondContact NE2-ND1 2.92Å; H209-V323 PolarHBondContact N-O 3.44Å; H209-G325 PolarHBondContact O-N 3.18Å; H209-H347 AromaticContact CE1-ND1 3.73Å; H209-H347 AromaticContact ND1-ND1 3.86Å; H209-Y349 HydrophobicContact CB-CD2 4.19Å; H209-Y349 HydrophobicContact CB-CE2 3.62Å; H209-Y349 AromaticContact CG-CE2 3.92Å; H209-Y349 AromaticContact ND1-CE2 3.44Å; H209-Y349 WeakPolarHBondContact ND1-CE2 3.25Å; H209-Y349 AromaticContact ND1-CZ 3.57Å; H209-Y349 PolarHBondContact ND1-OH 2.84Å
210	S	96.8	Very high	94.2	Very high	5 Å²	5	43.2 Å²	43.2	4%	0.035	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	124.9	-174.2	178.6	0	0	0	0	111.2	F208 A327 H347 T348 Y349	F208-S210 PolarHBondContact O-N 2.98Å; S210-A327 WeakPolarHBondContact OG-CA 3.41Å; S210-H347 PolarHBondContact N-O 2.85Å; S210-T348 CarbonylContact O-C 3.55Å; S210-T348 WeakPolarHBondContact O-CA 3.42Å; S210-Y349 PolarHBondContact O-N 3.07Å
211	G	92.4	Very high	94.2	Very high	5 Å²	5	40 Å²	40	5%	0.052	22%	0.215	C	C	.	.			trans	175.9	167.2	173.2	0	0	0	0	0	114.5	K217 G325 Y349	G211-K217 PolarHBondContact O-NZ 2.88Å; G211-G325 PolarHBondContact N-O 2.91Å; G211-G325 VanDerWaalsContact N-O 3.1Å; G211-Y349 WeakPolarHBondContact CA-O 3.12Å
212	P	89.4	Confident	94.2	Very high	64 Å²	64	36.6 Å²	36.6	42%	0.416	19%	0.185	S	C	.	.			trans	-64.2	173.9	177	28.7	-34.4	0	0	0	111.5	S215 Y349 R351	P212-S215 VanDerWaalsContact O-CB 3.27Å; P212-S215 WeakPolarHBondContact O-CB 3.49Å; P212-S215 PolarHBondContact O-OG 2.97Å; P212-Y349 WeakPolarHBondContact CD-O 3.48Å; P212-R351 HydrophobicContact CG-CB 4.01Å; P212-R351 HydrophobicContact CG-CG 4.49Å
213	T	85.6	Confident	94.3	Very high	24 Å²	24	37 Å²	37	15%	0.147	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	148.6	165.8	54.3	0	0	0	0	109.9	S215 Q470 G473	T213-S215 PolarHBondContact O-N 3.38Å; T213-Q470 HydrophobicContact CG2-CG 4.21Å; T213-G473 WeakPolarHBondContact OG1-CA 3.41Å
214	N	86.7	Confident	94.4	Very high	22 Å²	22	31.9 Å²	31.9	12%	0.118	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	39.2	-177.6	-168.2	59.1	0	0	0	114.8	R351 L352 T353 R477 F478	N214-R351 HydrophobicContact CB-CG 4.43Å; N214-R351 WeakPolarHBondContact O-CG 3.41Å; N214-L352 PolarHBondContact O-N 2.89Å; N214-T353 PolarHBondContact ND2-OG1 3.5Å; N214-R477 HydrophobicContact CB-CG 4.36Å; N214-R477 WeakPolarHBondContact OD1-CA 3.49Å; N214-F478 PolarHBondContact ND2-N 3.08Å; N214-F478 PolarHBondContact OD1-N 3.12Å
215	S	88.4	Confident	94.4	Very high	5 Å²	5	31.5 Å²	31.5	4%	0.035	16%	0.157	C	C	.	.	S	Bend	trans	-106.3	-5.7	178.1	57.3	0	0	0	0	115.1	P212 T213 K217 K350	P212-S215 VanDerWaalsContact O-CB 3.27Å; P212-S215 WeakPolarHBondContact O-CB 3.49Å; P212-S215 PolarHBondContact O-OG 2.97Å; T213-S215 PolarHBondContact O-N 3.38Å; S215-K217 VanDerWaalsContact C-N 3.28Å; S215-K217 PolarHBondContact O-N 2.88Å; S215-K350 VanDerWaalsContact CA-O 3.3Å; S215-K350 WeakPolarHBondContact CA-O 3.08Å; S215-K350 VanDerWaalsContact CB-O 3.29Å; S215-K350 WeakPolarHBondContact CB-O 3.46Å
216	G	87.9	Confident	94.4	Very high	21 Å²	21	30.8 Å²	30.8	22%	0.216	16%	0.155	C	C	.	.	S	Bend	trans	81.7	-4	-174.1	0	0	0	0	0	115	T218 Y219 H220	G216-T218 PolarHBondContact O-N 3.3Å; G216-Y219 WeakPolarHBondContact O-CB 3.48Å; G216-Y219 PolarHBondContact O-N 2.78Å; G216-H220 PolarHBondContact O-N 2.97Å
217	K	93.1	Very high	94.3	Very high	12 Å²	12	34.6 Å²	34.6	5%	0.052	19%	0.187	C	C	.	.	H	α-helix	trans	-45.1	-54.2	-179.2	64.6	174.6	-171.6	-141.5	0	113.9	H209 G211 S215 Y219 H220 C324 G325 Y349	H209-K217 HydrophobicContact CB-CB 3.89Å; H209-K217 WeakPolarHBondContact O-CD 3.48Å; G211-K217 PolarHBondContact O-NZ 2.88Å; S215-K217 VanDerWaalsContact C-N 3.28Å; S215-K217 PolarHBondContact O-N 2.88Å; K217-Y219 VanDerWaalsContact C-N 3.3Å; K217-Y219 PolarHBondContact O-N 3.47Å; K217-H220 PolarHBondContact O-N 2.82Å; K217-C324 HydrophobicContact CD-CB 4.42Å; K217-G325 WeakPolarHBondContact CD-O 3.47Å; K217-G325 VanDerWaalsContact NZ-C 3.26Å; K217-G325 PolarHBondContact NZ-O 3.08Å; K217-Y349 HydrophobicContact CB-CD2 3.8Å; K217-Y349 HydrophobicContact CB-CE2 4.28Å; K217-Y349 HydrophobicContact CB-CG 4.09Å
218	T	91.8	Very high	94.3	Very high	37 Å²	37	34.5 Å²	34.5	23%	0.227	19%	0.187	C	C	.	.	H	α-helix	trans	-68.7	-26.8	-178.1	-39.1	0	0	0	0	112.2	G216 I222 D295	G216-T218 PolarHBondContact O-N 3.3Å; T218-I222 HydrophobicContact CG2-CG1 4.2Å; T218-I222 WeakPolarHBondContact O-CB 3.38Å; T218-I222 VanDerWaalsContact O-CG1 3.22Å; T218-I222 WeakPolarHBondContact O-CG1 3.29Å; T218-I222 PolarHBondContact O-N 2.97Å; T218-D295 PolarHBondContact OG1-OD1 2.88Å
219	Y	93.1	Very high	94.3	Very high	141 Å²	141	43.2 Å²	43.2	55%	0.553	23%	0.225	S	C	*	.	H	α-helix	trans	-63.9	-44.7	178.6	174.2	-101.1	0	0	0	111.3	G216 K217 I222 Q223	G216-Y219 WeakPolarHBondContact O-CB 3.48Å; G216-Y219 PolarHBondContact O-N 2.78Å; K217-Y219 VanDerWaalsContact C-N 3.3Å; K217-Y219 PolarHBondContact O-N 3.47Å; Y219-I222 PolarHBondContact O-N 2.91Å; Y219-Q223 HydrophobicContact CD1-CG 4.24Å; Y219-Q223 HydrophobicContact CD2-CG 4.4Å; Y219-Q223 HydrophobicContact CE1-CG 3.78Å; Y219-Q223 HydrophobicContact CE2-CG 3.95Å; Y219-Q223 WeakPolarHBondContact O-CG 3.28Å; Y219-Q223 PolarHBondContact O-N 2.94Å
220	H	94.7	Very high	94.3	Very high	97 Å²	97	44.4 Å²	44.4	45%	0.449	23%	0.234	S	C	.	.	H	α-helix	trans	-64.6	-44.3	179	-74.4	-87.4	0	0	0	112.5	G216 K217 I222 Q223 R224 Y349	G216-H220 PolarHBondContact O-N 2.97Å; K217-H220 PolarHBondContact O-N 2.82Å; H220-I222 VanDerWaalsContact C-N 3.34Å; H220-I222 PolarHBondContact O-N 3.09Å; H220-Q223 PolarHBondContact O-N 3.45Å; H220-R224 PolarHBondContact O-N 3.06Å; H220-Y349 AromaticContact CD2-CE1 3.41Å; H220-Y349 VanDerWaalsContact CD2-CE1 3.41Å; H220-Y349 WeakPolarHBondContact CD2-CE1 3.21Å; H220-Y349 AromaticContact NE2-CE1 3.9Å
221	A	97.4	Very high	94.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.7	-44.1	174.3	0	0	0	0	0	112	R224 Y225 V293 H322	A221-R224 PolarHBondContact O-N 3.39Å; A221-Y225 PolarHBondContact O-N 2.84Å; A221-V293 HydrophobicContact CB-CG1 3.91Å; A221-V293 HydrophobicContact CB-CG2 4.2Å; A221-H322 HydrophobicContact CB-CB 3.88Å
222	I	97.7	Very high	94.6	Very high	13 Å²	13	44 Å²	44	7%	0.067	23%	0.23	C	C	.	.	H	α-helix	trans	-67.2	-37.2	177.4	-66.4	-63.1	0	0	0	112.2	T218 Y219 H220 R224 Y225 L226 Y233 I244 V293	T218-I222 HydrophobicContact CG2-CG1 4.2Å; T218-I222 WeakPolarHBondContact O-CB 3.38Å; T218-I222 VanDerWaalsContact O-CG1 3.22Å; T218-I222 WeakPolarHBondContact O-CG1 3.29Å; T218-I222 PolarHBondContact O-N 2.97Å; Y219-I222 PolarHBondContact O-N 2.91Å; H220-I222 VanDerWaalsContact C-N 3.34Å; H220-I222 PolarHBondContact O-N 3.09Å; I222-R224 VanDerWaalsContact C-N 3.32Å; I222-R224 PolarHBondContact O-N 2.91Å; I222-Y225 PolarHBondContact O-N 3.17Å; I222-L226 HydrophobicContact CG2-CD1 4.07Å; I222-L226 HydrophobicContact CG2-CG 4.3Å; I222-L226 VanDerWaalsContact O-CG 3.28Å; I222-L226 WeakPolarHBondContact O-CG 3.45Å; I222-L226 PolarHBondContact O-N 2.64Å; I222-Y233 HydrophobicContact CD1-CD2 3.59Å; I222-Y233 HydrophobicContact CD1-CE2 3.98Å; I222-Y233 HydrophobicContact CD1-CG 4.35Å; I222-I244 HydrophobicContact CD1-CD1 3.67Å; I222-I244 HydrophobicContact CD1-CG1 4.01Å; I222-I244 HydrophobicContact CD1-CG2 4.06Å; I222-I244 HydrophobicContact CG1-CD1 3.94Å; I222-I244 HydrophobicContact CG2-CD1 4.41Å; I222-V293 HydrophobicContact CD1-CG1 4.41Å
223	Q	97.6	Very high	95.1	Very high	82 Å²	82	41 Å²	41	38%	0.383	21%	0.211	S	C	.	.	H	α-helix	trans	-62.5	-39.7	173.4	-67.8	-49.5	-80.1	0	0	111.8	Y219 H220 L226 A227	Y219-Q223 HydrophobicContact CD1-CG 4.24Å; Y219-Q223 HydrophobicContact CD2-CG 4.4Å; Y219-Q223 HydrophobicContact CE1-CG 3.78Å; Y219-Q223 HydrophobicContact CE2-CG 3.95Å; Y219-Q223 WeakPolarHBondContact O-CG 3.28Å; Y219-Q223 PolarHBondContact O-N 2.94Å; H220-Q223 PolarHBondContact O-N 3.45Å; Q223-L226 PolarHBondContact O-N 3.49Å; Q223-A227 WeakPolarHBondContact O-CB 3.34Å; Q223-A227 PolarHBondContact O-N 3.12Å; Q223-A227 VanDerWaalsContact O-N 3.11Å
224	R	98	Very high	95.7	Very high	70 Å²	70	39.9 Å²	39.9	26%	0.264	20%	0.204	S	C	.	.	H	α-helix	trans	-67.4	-39.5	176.6	177.9	53	-171.8	117.9	-1.6	112.5	H220 A221 I222 A227 A228 E290 V291 E320 H322	H220-R224 PolarHBondContact O-N 3.06Å; A221-R224 PolarHBondContact O-N 3.39Å; I222-R224 VanDerWaalsContact C-N 3.32Å; I222-R224 PolarHBondContact O-N 2.91Å; R224-A227 PolarHBondContact O-N 3.48Å; R224-A228 PolarHBondContact O-N 2.79Å; R224-A228 VanDerWaalsContact O-N 3.17Å; R224-E290 IonicContact CZ-OE1 3.76Å; R224-E290 VanDerWaalsContact CZ-OE1 3.29Å; R224-E290 IonicContact NH1-OE1 2.73Å; R224-E290 PolarHBondContact NH1-OE1 2.77Å; R224-E290 IonicContact NH2-OE1 3.97Å; R224-E290 PolarHBondContact NH2-OE1 3.23Å; R224-V291 HydrophobicContact CG-CG1 4.44Å; R224-V291 HydrophobicContact CG-CG2 4.01Å; R224-E320 IonicContact CZ-OE2 3.94Å; R224-E320 IonicContact NE-OE2 2.86Å; R224-E320 PolarHBondContact NE-OE2 3.48Å; R224-E320 IonicContact NH2-OE2 2.96Å; R224-E320 PolarHBondContact NH2-OE2 3.31Å; R224-H322 VanDerWaalsContact CG-NE2 3.35Å; R224-H322 WeakPolarHBondContact CG-NE2 3.4Å
225	Y	98.5	Very high	96.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-58.7	-48.6	171	163.9	-90.2	0	0	0	112.4	A221 I222 A227 A228 I244 C255 H275 V276 V293	A221-Y225 PolarHBondContact O-N 2.84Å; I222-Y225 PolarHBondContact O-N 3.17Å; Y225-A227 VanDerWaalsContact C-N 3.27Å; Y225-A227 PolarHBondContact O-N 3.06Å; Y225-A228 WeakPolarHBondContact O-CB 3.34Å; Y225-A228 PolarHBondContact O-N 3.49Å; Y225-I244 HydrophobicContact CE1-CG2 4.09Å; Y225-C255 PolarHBondContact OH-SG 3.44Å; Y225-H275 AromaticContact CE1-CD2 3.97Å; Y225-H275 HydrophobicContact CE2-CB 4.46Å; Y225-H275 AromaticContact CE2-CD2 3.89Å; Y225-H275 AromaticContact CZ-CD2 3.8Å; Y225-H275 PolarHBondContact O-CD2 3.38Å; Y225-H275 PolarHBondContact O-NE2 3.15Å; Y225-V276 PolarHBondContact OH-O 3.31Å; Y225-V293 HydrophobicContact CD2-CG2 4.45Å; Y225-V293 HydrophobicContact CG-CG2 4.45Å
226	L	98.2	Very high	96.5	Very high	33 Å²	33	38.7 Å²	38.7	17%	0.173	20%	0.197	C	C	.	.	H	α-helix	trans	-64.9	-30.1	179.4	-68.4	172.6	0	0	0	112.9	I222 Q223 S248 V253	I222-L226 HydrophobicContact CG2-CD1 4.07Å; I222-L226 HydrophobicContact CG2-CG 4.3Å; I222-L226 VanDerWaalsContact O-CG 3.28Å; I222-L226 WeakPolarHBondContact O-CG 3.45Å; I222-L226 PolarHBondContact O-N 2.64Å; Q223-L226 PolarHBondContact O-N 3.49Å; L226-S248 WeakPolarHBondContact CD2-OG 3.36Å; L226-V253 HydrophobicContact CB-CG2 4.46Å; L226-V253 HydrophobicContact CD2-CB 4.13Å; L226-V253 HydrophobicContact CD2-CG1 4.43Å; L226-V253 HydrophobicContact CD2-CG2 4.17Å
227	A	98	Very high	96.8	Very high	81 Å²	81	40.1 Å²	40.1	67%	0.669	20%	0.2	S	C	*	.	H	α-helix	trans	-83.2	-13.2	178.1	0	0	0	0	0	114.2	Q223 R224 Y225	Q223-A227 WeakPolarHBondContact O-CB 3.34Å; Q223-A227 PolarHBondContact O-N 3.12Å; Q223-A227 VanDerWaalsContact O-N 3.11Å; R224-A227 PolarHBondContact O-N 3.48Å; Y225-A227 VanDerWaalsContact C-N 3.27Å; Y225-A227 PolarHBondContact O-N 3.06Å
228	A	98.2	Very high	96.8	Very high	7 Å²	7	42.3 Å²	42.3	6%	0.058	21%	0.209	C	C	.	.	S	Bend	trans	-74.5	156.9	179.5	0	0	0	0	0	112	R224 Y225 S230 H275 E290 V291	R224-A228 PolarHBondContact O-N 2.79Å; R224-A228 VanDerWaalsContact O-N 3.17Å; Y225-A228 WeakPolarHBondContact O-CB 3.34Å; Y225-A228 PolarHBondContact O-N 3.49Å; A228-S230 VanDerWaalsContact C-N 3.32Å; A228-H275 PolarHBondContact O-CE1 3.01Å; A228-H275 PolarHBondContact O-NE2 3.34Å; A228-H275 VanDerWaalsContact O-NE2 3.17Å; A228-E290 WeakPolarHBondContact CA-OE1 3.34Å; A228-E290 HydrophobicContact CB-CB 4.2Å; A228-E290 HydrophobicContact CB-CG 4.37Å; A228-V291 HydrophobicContact CB-CB 3.87Å; A228-V291 HydrophobicContact CB-CG2 3.6Å
229	K	97.7	Very high	96.8	Very high	183 Å²	183	41.8 Å²	41.8	80%	0.796	21%	0.205	S	C	*	.	S	Bend	trans	-70.4	-31	173.2	-63	164.6	-166.2	149.7	0	112.7	E290	K229-E290 WeakPolarHBondContact CB-OE2 3.45Å; K229-E290 WeakPolarHBondContact CD-OE2 3.34Å; K229-E290 VanDerWaalsContact CG-OE2 3.28Å; K229-E290 WeakPolarHBondContact CG-OE2 3.32Å; K229-E290 PolarHBondContact N-OE2 3.34Å
230	S	98.3	Very high	96.8	Very high	30 Å²	30	35.9 Å²	35.9	21%	0.21	18%	0.183	C	C	.	.	S	Bend	trans	-149.6	149.7	176	61	0	0	0	0	110.4	A228 G274 E290 V291	A228-S230 VanDerWaalsContact C-N 3.32Å; S230-G274 CarbonylContact C-O 3.27Å; S230-G274 WeakPolarHBondContact CA-O 2.95Å; S230-G274 WeakPolarHBondContact CB-O 3.39Å; S230-E290 WeakPolarHBondContact O-CB 3.39Å; S230-E290 PolarHBondContact O-N 2.68Å; S230-E290 PolarHBondContact OG-N 3.38Å; S230-E290 VanDerWaalsContact OG-N 3.12Å; S230-V291 PolarHBondContact O-N 2.89Å
231	G	98.4	Very high	96.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	164.2	176.9	0	0	0	0	0	116.3	G274 H275 V276 Y289 V291	G231-G274 PolarHBondContact N-O 2.85Å; G231-H275 CarbonylContact O-C 3.51Å; G231-H275 VanDerWaalsContact O-CA 3.27Å; G231-H275 WeakPolarHBondContact O-CA 3.46Å; G231-V276 PolarHBondContact O-N 3.46Å; G231-Y289 VanDerWaalsContact C-CD1 3.5Å; G231-V291 CarbonylContact C-O 3.54Å; G231-V291 WeakPolarHBondContact CA-O 3.38Å
232	V	98.8	Very high	96.7	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	128.5	175.8	55.7	0	0	0	0	110.9	V276 C283 Y289 V291 A292 V293 L316	V232-V276 WeakPolarHBondContact CA-O 3.48Å; V232-V276 HydrophobicContact CB-CG1 3.97Å; V232-V276 HydrophobicContact CG2-CG1 3.96Å; V232-C283 HydrophobicContact CG2-CB 4.41Å; V232-Y289 HydrophobicContact CB-CD1 4.26Å; V232-Y289 HydrophobicContact CB-CD2 4.14Å; V232-Y289 HydrophobicContact CB-CE1 4.02Å; V232-Y289 HydrophobicContact CB-CE2 3.89Å; V232-Y289 HydrophobicContact CB-CG 4.31Å; V232-Y289 HydrophobicContact CG1-CD1 4.36Å; V232-Y289 HydrophobicContact CG1-CD2 3.56Å; V232-Y289 HydrophobicContact CG1-CE1 4.47Å; V232-Y289 HydrophobicContact CG1-CE2 3.69Å; V232-Y289 HydrophobicContact CG1-CG 3.91Å; V232-V291 PolarHBondContact N-O 2.98Å; V232-A292 HydrophobicContact CG1-CB 3.8Å; V232-A292 CarbonylContact O-C 3.58Å; V232-A292 WeakPolarHBondContact O-CA 3.41Å; V232-V293 PolarHBondContact O-N 3.29Å; V232-L316 HydrophobicContact CG1-CD1 4.28Å; V232-L316 HydrophobicContact CG1-CD2 4.02Å
233	Y	98.8	Very high	96.5	Very high	3 Å²	3	35.3 Å²	35.3	1%	0.012	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	126.6	167.6	170.7	-98.8	0	0	0	110	I222 L240 I244 V276 A277 C278 V293 D295	I222-Y233 HydrophobicContact CD1-CD2 3.59Å; I222-Y233 HydrophobicContact CD1-CE2 3.98Å; I222-Y233 HydrophobicContact CD1-CG 4.35Å; Y233-L240 HydrophobicContact CE1-CB 4.32Å; Y233-L240 WeakPolarHBondContact OH-CB 3.35Å; Y233-I244 HydrophobicContact CD1-CB 3.76Å; Y233-I244 HydrophobicContact CD1-CG1 3.7Å; Y233-I244 HydrophobicContact CD1-CG2 4Å; Y233-I244 HydrophobicContact CD2-CG1 4.08Å; Y233-I244 HydrophobicContact CD2-CG2 4.44Å; Y233-I244 HydrophobicContact CE1-CB 4.05Å; Y233-I244 HydrophobicContact CE1-CG1 3.55Å; Y233-I244 HydrophobicContact CE2-CG1 3.95Å; Y233-I244 HydrophobicContact CG-CB 4.1Å; Y233-I244 HydrophobicContact CG-CG1 3.96Å; Y233-I244 HydrophobicContact CG-CG2 3.85Å; Y233-V276 PolarHBondContact N-O 3.48Å; Y233-A277 HydrophobicContact CD1-CB 4.27Å; Y233-C278 PolarHBondContact O-N 3.12Å; Y233-C278 PolarHBondContact O-SG 3.13Å; Y233-V293 HydrophobicContact CD2-CB 4.01Å; Y233-V293 HydrophobicContact CD2-CG1 3.86Å; Y233-V293 HydrophobicContact CE2-CG1 4.21Å; Y233-D295 HydrophobicContact CE2-CB 4.02Å; Y233-D295 PolarHBondContact OH-OD2 3.47Å
234	C	98.6	Very high	96.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	100.2	179.5	-64.9	0	0	0	0	110.4	I280 C283 V293 D295	C234-I280 HydrophobicContact CB-CB 4.06Å; C234-I280 HydrophobicContact CB-CD1 4.25Å; C234-I280 HydrophobicContact CB-CG1 3.91Å; C234-C283 VanDerWaalsContact SG-CB 3.53Å; C234-V293 PolarHBondContact N-O 3.15Å; C234-D295 PolarHBondContact O-N 3.24Å
235	G	96.8	Very high	96.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	151.1	179	0	0	0	0	0	114.1	L237 C278 T279 I280	G235-L237 PolarHBondContact O-N 3.4Å; G235-C278 PolarHBondContact N-O 3.5Å; G235-T279 WeakPolarHBondContact O-CA 3.48Å; G235-I280 PolarHBondContact O-N 3.27Å
236	P	95.4	Very high	96.3	Very high	1 Å²	1	36 Å²	36	1%	0.006	19%	0.186	C	C	.	.	S	Bend	trans	-67.4	-17.7	173.4	23.5	-33	0	0	0	114.3	L240 E296 R305 W309 M433	P236-L240 HydrophobicContact CG-CD1 3.73Å; P236-E296 HydrophobicContact CG-CB 4.25Å; P236-E296 HydrophobicContact CG-CG 4Å; P236-R305 PolarHBondContact O-NH1 2.89Å; P236-R305 PolarHBondContact O-NH2 2.82Å; P236-W309 HydrophobicContact CB-CH2 3.94Å; P236-W309 HydrophobicContact CB-CZ2 3.7Å; P236-M433 HydrophobicContact CB-SD 4.39Å; P236-M433 HydrophobicContact CG-SD 4.45Å
237	L	94.1	Very high	96.1	Very high	51 Å²	51	39.5 Å²	39.5	27%	0.267	20%	0.2	S	C	.	.	S	Bend	trans	-141.2	145.4	-167.4	-66.3	177.5	0	0	0	111.8	G235 L239 L240 A241 M433	G235-L237 PolarHBondContact O-N 3.4Å; L237-L239 VanDerWaalsContact C-N 3.28Å; L237-L239 PolarHBondContact O-N 3.14Å; L237-L240 PolarHBondContact O-N 2.97Å; L237-L240 VanDerWaalsContact O-N 3.08Å; L237-A241 PolarHBondContact O-N 2.92Å; L237-M433 HydrophobicContact CD1-CB 4.07Å; L237-M433 HydrophobicContact CD1-CG 3.69Å; L237-M433 HydrophobicContact CD1-SD 3.69Å; L237-M433 HydrophobicContact CD2-SD 4.28Å; L237-M433 HydrophobicContact CG-SD 3.93Å
238	K	92.6	Very high	96.1	Very high	58 Å²	58	35.7 Å²	35.7	25%	0.252	17%	0.168	S	C	.	.	H	α-helix	trans	-48.6	-49.3	172.2	-51.9	-174.7	-167.9	-168.6	0	111.5	L240 A241 H242 E261 T279 D640	K238-L240 VanDerWaalsContact C-N 3.26Å; K238-L240 PolarHBondContact O-N 2.91Å; K238-A241 WeakPolarHBondContact O-CB 3.34Å; K238-A241 PolarHBondContact O-N 3.32Å; K238-H242 PolarHBondContact O-CD2 3.23Å; K238-H242 VanDerWaalsContact O-CD2 3.27Å; K238-H242 PolarHBondContact O-N 3.16Å; K238-E261 VanDerWaalsContact CE-OE1 3.27Å; K238-E261 WeakPolarHBondContact CE-OE1 3.33Å; K238-E261 WeakPolarHBondContact CE-OE2 3.21Å; K238-E261 IonicContact NZ-OE1 3.56Å; K238-E261 PolarHBondContact NZ-OE1 3.25Å; K238-E261 IonicContact NZ-OE2 3.15Å; K238-E261 PolarHBondContact NZ-OE2 3.34Å; K238-T279 HydrophobicContact CG-CG2 4.27Å; K238-D640 IonicContact NZ-OD2 3.63Å; K238-D640 PolarHBondContact NZ-OD2 2.94Å
239	L	91.5	Very high	96.1	Very high	26 Å²	26	37.8 Å²	37.8	14%	0.136	18%	0.178	C	C	.	.	H	α-helix	trans	-54	-37.7	-179.4	-72.1	171.2	0	0	0	113.6	L237 E243 P405 K408 L409 G434 L435	L237-L239 VanDerWaalsContact C-N 3.28Å; L237-L239 PolarHBondContact O-N 3.14Å; L239-E243 WeakPolarHBondContact O-CB 3.16Å; L239-E243 PolarHBondContact O-N 3.41Å; L239-P405 HydrophobicContact CD2-CB 3.99Å; L239-K408 HydrophobicContact CD1-CD 4.03Å; L239-L409 HydrophobicContact CD2-CD1 4.34Å; L239-L409 HydrophobicContact CD2-CD2 4.4Å; L239-L409 HydrophobicContact CD2-CG 4.2Å; L239-G434 WeakPolarHBondContact CB-O 3.2Å; L239-L435 HydrophobicContact CD1-CD2 4Å; L239-L435 HydrophobicContact CD1-CG 4.24Å
240	L	93.6	Very high	96	Very high	18 Å²	18	33.4 Å²	33.4	9%	0.094	18%	0.176	C	C	.	.	H	α-helix	trans	-77.1	-34.1	178.4	-68.6	172.4	0	0	0	112.3	Y233 P236 L237 K238 H242 E243 I244	Y233-L240 HydrophobicContact CE1-CB 4.32Å; Y233-L240 WeakPolarHBondContact OH-CB 3.35Å; P236-L240 HydrophobicContact CG-CD1 3.73Å; L237-L240 PolarHBondContact O-N 2.97Å; L237-L240 VanDerWaalsContact O-N 3.08Å; K238-L240 VanDerWaalsContact C-N 3.26Å; K238-L240 PolarHBondContact O-N 2.91Å; L240-H242 VanDerWaalsContact C-N 3.35Å; L240-E243 PolarHBondContact O-N 3.04Å; L240-I244 WeakPolarHBondContact O-CG1 3.4Å; L240-I244 PolarHBondContact O-N 3.49Å
241	A	95.7	Very high	95.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.1	-44.7	172.6	0	0	0	0	0	110.6	L237 K238 I244 F245 L257 T259 A277	L237-A241 PolarHBondContact O-N 2.92Å; K238-A241 WeakPolarHBondContact O-CB 3.34Å; K238-A241 PolarHBondContact O-N 3.32Å; A241-I244 PolarHBondContact O-N 2.82Å; A241-F245 VanDerWaalsContact O-CB 3.25Å; A241-F245 WeakPolarHBondContact O-CB 3.29Å; A241-F245 PolarHBondContact O-N 2.97Å; A241-L257 HydrophobicContact CB-CD1 3.88Å; A241-T259 HydrophobicContact CB-CG2 4.19Å; A241-A277 WeakPolarHBondContact O-CB 3.3Å
242	H	94.3	Very high	95.8	Very high	44 Å²	44	38 Å²	38	20%	0.204	22%	0.222	C	C	.	.	H	α-helix	trans	-61.3	-45.3	171.2	-75.3	-89.5	0	0	0	112.3	K238 L240 I244 F245 E246 L257 E262	K238-H242 PolarHBondContact O-CD2 3.23Å; K238-H242 VanDerWaalsContact O-CD2 3.27Å; K238-H242 PolarHBondContact O-N 3.16Å; L240-H242 VanDerWaalsContact C-N 3.35Å; H242-I244 VanDerWaalsContact C-N 3.33Å; H242-I244 PolarHBondContact O-N 2.69Å; H242-F245 PolarHBondContact O-N 3.06Å; H242-E246 WeakPolarHBondContact O-CB 3.43Å; H242-E246 WeakPolarHBondContact O-CG 3.32Å; H242-E246 PolarHBondContact O-N 2.9Å; H242-L257 WeakPolarHBondContact CE1-CD2 3.47Å; H242-E262 IonicContact CE1-OE1 3.62Å; H242-E262 IonicContact CE1-OE2 2.68Å
243	E	93.8	Very high	95.8	Very high	54 Å²	54	39.1 Å²	39.1	25%	0.252	23%	0.229	S	C	.	.	H	α-helix	trans	-59	-41.2	179.9	-172.4	-176.2	147.1	0	0	112.3	L239 L240 K247	L239-E243 WeakPolarHBondContact O-CB 3.16Å; L239-E243 PolarHBondContact O-N 3.41Å; L240-E243 PolarHBondContact O-N 3.04Å; E243-K247 HydrophobicContact CG-CD 4.15Å; E243-K247 WeakPolarHBondContact O-CB 3.49Å; E243-K247 WeakPolarHBondContact O-CD 3.29Å; E243-K247 WeakPolarHBondContact O-CG 3.28Å; E243-K247 PolarHBondContact O-N 3.48Å; E243-K247 VanDerWaalsContact O-N 3.14Å; E243-K247 IonicContact OE1-NZ 2.75Å; E243-K247 PolarHBondContact OE1-NZ 2.95Å
244	I	96.5	Very high	95.7	Very high	10 Å²	10	42.7 Å²	42.7	5%	0.051	25%	0.253	C	S	.	.	H	α-helix	trans	-76.5	-37.8	177.7	-61.1	-51.1	0	0	0	111.9	I222 Y225 Y233 L240 A241 H242 K247 S248 A277	I222-I244 HydrophobicContact CD1-CD1 3.67Å; I222-I244 HydrophobicContact CD1-CG1 4.01Å; I222-I244 HydrophobicContact CD1-CG2 4.06Å; I222-I244 HydrophobicContact CG1-CD1 3.94Å; I222-I244 HydrophobicContact CG2-CD1 4.41Å; Y225-I244 HydrophobicContact CE1-CG2 4.09Å; Y233-I244 HydrophobicContact CD1-CB 3.76Å; Y233-I244 HydrophobicContact CD1-CG1 3.7Å; Y233-I244 HydrophobicContact CD1-CG2 4Å; Y233-I244 HydrophobicContact CD2-CG1 4.08Å; Y233-I244 HydrophobicContact CD2-CG2 4.44Å; Y233-I244 HydrophobicContact CE1-CB 4.05Å; Y233-I244 HydrophobicContact CE1-CG1 3.55Å; Y233-I244 HydrophobicContact CE2-CG1 3.95Å; Y233-I244 HydrophobicContact CG-CB 4.1Å; Y233-I244 HydrophobicContact CG-CG1 3.96Å; Y233-I244 HydrophobicContact CG-CG2 3.85Å; L240-I244 WeakPolarHBondContact O-CG1 3.4Å; L240-I244 PolarHBondContact O-N 3.49Å; A241-I244 PolarHBondContact O-N 2.82Å; H242-I244 VanDerWaalsContact C-N 3.33Å; H242-I244 PolarHBondContact O-N 2.69Å; I244-K247 PolarHBondContact O-N 2.99Å; I244-S248 VanDerWaalsContact O-CB 3.28Å; I244-S248 WeakPolarHBondContact O-CB 3.19Å; I244-S248 PolarHBondContact O-N 3.09Å; I244-A277 HydrophobicContact CB-CB 4.25Å; I244-A277 HydrophobicContact CG2-CB 4.21Å
245	F	97.3	Very high	95.7	Very high	35 Å²	35	42.7 Å²	42.7	15%	0.154	25%	0.253	C	S	.	.	H	α-helix	trans	-56.6	-51.1	172.1	166.9	-100.1	0	0	0	111.9	A241 H242 S248 N249 C255 L257 T264 V266 A277	A241-F245 VanDerWaalsContact O-CB 3.25Å; A241-F245 WeakPolarHBondContact O-CB 3.29Å; A241-F245 PolarHBondContact O-N 2.97Å; H242-F245 PolarHBondContact O-N 3.06Å; F245-S248 PolarHBondContact O-N 3.36Å; F245-N249 WeakPolarHBondContact CD2-ND2 3.41Å; F245-N249 WeakPolarHBondContact CE2-ND2 3.19Å; F245-N249 PolarHBondContact O-N 3.07Å; F245-N249 VanDerWaalsContact O-N 3.16Å; F245-N249 PolarHBondContact O-ND2 3.15Å; F245-C255 WeakPolarHBondContact CD2-O 3.4Å; F245-C255 WeakPolarHBondContact CE2-O 3.36Å; F245-L257 HydrophobicContact CB-CB 4.38Å; F245-L257 HydrophobicContact CB-CD1 4.06Å; F245-L257 HydrophobicContact CD1-CB 4.49Å; F245-L257 HydrophobicContact CD2-CB 3.61Å; F245-L257 HydrophobicContact CE2-CB 3.9Å; F245-L257 HydrophobicContact CG-CB 3.93Å; F245-L257 HydrophobicContact CG-CD1 4.41Å; F245-L257 HydrophobicContact CZ-CB 4.48Å; F245-T264 HydrophobicContact CE2-CG2 4.45Å; F245-T264 HydrophobicContact CZ-CG2 3.97Å; F245-V266 HydrophobicContact CE2-CG1 3.76Å; F245-V266 HydrophobicContact CZ-CG1 4.19Å; F245-A277 HydrophobicContact CB-CB 4.04Å
246	E	95.6	Very high	95.7	Very high	120 Å²	120	43 Å²	43	56%	0.561	25%	0.254	S	S	*	.	H	α-helix	trans	-61.7	-46.4	178.2	-72.9	179	-179.7	0	0	111.2	H242 A250	H242-E246 WeakPolarHBondContact O-CB 3.43Å; H242-E246 WeakPolarHBondContact O-CG 3.32Å; H242-E246 PolarHBondContact O-N 2.9Å; E246-A250 WeakPolarHBondContact O-CB 3.32Å; E246-A250 PolarHBondContact O-N 3.13Å
247	K	94.9	Very high	95.8	Very high	107 Å²	107	42.9 Å²	42.9	47%	0.465	25%	0.254	S	S	.	.	H	α-helix	trans	-64.5	-39.8	179.6	-77.5	173.2	177.2	178.7	0	113.5	E243 I244 A251	E243-K247 HydrophobicContact CG-CD 4.15Å; E243-K247 WeakPolarHBondContact O-CB 3.49Å; E243-K247 WeakPolarHBondContact O-CD 3.29Å; E243-K247 WeakPolarHBondContact O-CG 3.28Å; E243-K247 PolarHBondContact O-N 3.48Å; E243-K247 VanDerWaalsContact O-N 3.14Å; E243-K247 IonicContact OE1-NZ 2.75Å; E243-K247 PolarHBondContact OE1-NZ 2.95Å; I244-K247 PolarHBondContact O-N 2.99Å; K247-A251 VanDerWaalsContact O-CB 3.29Å; K247-A251 WeakPolarHBondContact O-CB 3.17Å; K247-A251 PolarHBondContact O-N 2.86Å
248	S	97.4	Very high	96	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.007	25%	0.249	C	C	.	.	H	α-helix	trans	-65.4	-50.2	179.8	-169.5	0	0	0	0	110.9	L226 I244 F245 A250 A251 G252 V253 C255	L226-S248 WeakPolarHBondContact CD2-OG 3.36Å; I244-S248 VanDerWaalsContact O-CB 3.28Å; I244-S248 WeakPolarHBondContact O-CB 3.19Å; I244-S248 PolarHBondContact O-N 3.09Å; F245-S248 PolarHBondContact O-N 3.36Å; S248-A250 PolarHBondContact O-N 3.41Å; S248-A251 CarbonylContact O-C 3.58Å; S248-A251 WeakPolarHBondContact O-CB 3.27Å; S248-A251 PolarHBondContact O-N 2.99Å; S248-A251 VanDerWaalsContact O-N 3.09Å; S248-G252 PolarHBondContact O-N 3.05Å; S248-V253 CarbonylContact C-O 3.55Å; S248-V253 PolarHBondContact O-N 2.61Å; S248-V253 VanDerWaalsContact O-O 3.1Å; S248-V253 PolarHBondContact OG-O 2.7Å; S248-C255 VanDerWaalsContact OG-CB 3.32Å; S248-C255 WeakPolarHBondContact OG-CB 3.46Å
249	N	97.5	Very high	96.2	Very high	51 Å²	51	39.1 Å²	39.1	27%	0.273	24%	0.237	S	C	.	.	H	α-helix	trans	-65.9	-37.6	178.6	-70.6	-64.6	0	0	0	111.9	F245 A251 G252 P254 C255	F245-N249 WeakPolarHBondContact CD2-ND2 3.41Å; F245-N249 WeakPolarHBondContact CE2-ND2 3.19Å; F245-N249 PolarHBondContact O-N 3.07Å; F245-N249 VanDerWaalsContact O-N 3.16Å; F245-N249 PolarHBondContact O-ND2 3.15Å; N249-A251 VanDerWaalsContact C-N 3.27Å; N249-A251 PolarHBondContact O-N 3.26Å; N249-G252 PolarHBondContact O-N 3.46Å; N249-P254 WeakPolarHBondContact OD1-CA 3.42Å; N249-C255 PolarHBondContact ND2-O 2.9Å; N249-C255 PolarHBondContact OD1-N 3.43Å
250	A	96.8	Very high	96.3	Very high	91 Å²	91	38.1 Å²	38.1	75%	0.752	23%	0.234	S	C	*	.	H	α-helix	trans	-66.2	-26.3	172.9	0	0	0	0	0	113.6	E246 S248 G252	E246-A250 WeakPolarHBondContact O-CB 3.32Å; E246-A250 PolarHBondContact O-N 3.13Å; S248-A250 PolarHBondContact O-N 3.41Å; A250-G252 VanDerWaalsContact C-N 3.26Å
251	A	96.1	Very high	96.3	Very high	62 Å²	62	38.1 Å²	38.1	51%	0.512	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	1.4	172.2	0	0	0	0	0	113.4	K247 S248 N249	K247-A251 VanDerWaalsContact O-CB 3.29Å; K247-A251 WeakPolarHBondContact O-CB 3.17Å; K247-A251 PolarHBondContact O-N 2.86Å; S248-A251 CarbonylContact O-C 3.58Å; S248-A251 WeakPolarHBondContact O-CB 3.27Å; S248-A251 PolarHBondContact O-N 2.99Å; S248-A251 VanDerWaalsContact O-N 3.09Å; N249-A251 VanDerWaalsContact C-N 3.27Å; N249-A251 PolarHBondContact O-N 3.26Å
252	G	96.3	Very high	96.2	Very high	64 Å²	64	40.1 Å²	40.1	66%	0.66	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.5	16.2	-178.4	0	0	0	0	0	114.5	S248 N249 A250 P254	S248-G252 PolarHBondContact O-N 3.05Å; N249-G252 PolarHBondContact O-N 3.46Å; A250-G252 VanDerWaalsContact C-N 3.26Å; G252-P254 WeakPolarHBondContact O-CD 3.5Å
253	V	97.6	Very high	96.1	Very high	25 Å²	25	42.5 Å²	42.5	15%	0.152	25%	0.25	C	C	.	.			trans	-104.6	102.6	176	-179.7	0	0	0	0	108.5	L226 S248 C255 H275	L226-V253 HydrophobicContact CB-CG2 4.46Å; L226-V253 HydrophobicContact CD2-CB 4.13Å; L226-V253 HydrophobicContact CD2-CG1 4.43Å; L226-V253 HydrophobicContact CD2-CG2 4.17Å; S248-V253 CarbonylContact C-O 3.55Å; S248-V253 PolarHBondContact O-N 2.61Å; S248-V253 VanDerWaalsContact O-O 3.1Å; S248-V253 PolarHBondContact OG-O 2.7Å; V253-C255 PolarHBondContact O-N 2.59Å; V253-H275 HydrophobicContact CG1-CB 4.44Å
254	P	97.6	Very high	96.1	Very high	78 Å²	78	42.2 Å²	42.2	51%	0.506	25%	0.252	S	S	.	.			trans	-57.4	120.8	-176.8	-24.3	34.7	0	0	0	111	N249 G252 V266 A273	N249-P254 WeakPolarHBondContact OD1-CA 3.42Å; G252-P254 WeakPolarHBondContact O-CD 3.5Å; P254-V266 HydrophobicContact CB-CG2 3.92Å; P254-A273 HydrophobicContact CB-CB 4.41Å; P254-A273 WeakPolarHBondContact O-CB 3.33Å
255	C	98.1	Very high	95.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	126.1	-173.7	175.5	0	0	0	0	110.5	Y225 F245 S248 N249 V253 V266 H275 A277	Y225-C255 PolarHBondContact OH-SG 3.44Å; F245-C255 WeakPolarHBondContact CD2-O 3.4Å; F245-C255 WeakPolarHBondContact CE2-O 3.36Å; S248-C255 VanDerWaalsContact OG-CB 3.32Å; S248-C255 WeakPolarHBondContact OG-CB 3.46Å; N249-C255 PolarHBondContact ND2-O 2.9Å; N249-C255 PolarHBondContact OD1-N 3.43Å; V253-C255 PolarHBondContact O-N 2.59Å; C255-V266 WeakPolarHBondContact O-CG1 3.25Å; C255-H275 CarbonylContact C-O 3.6Å; C255-H275 VanDerWaalsContact CA-O 3.29Å; C255-H275 WeakPolarHBondContact CA-O 3.14Å; C255-H275 HydrophobicContact CB-CB 3.99Å; C255-A277 PolarHBondContact SG-N 2.97Å; C255-A277 VanDerWaalsContact SG-N 3.41Å
256	D	98.1	Very high	95.7	Very high	6 Å²	6	47.6 Å²	47.6	3%	0.032	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	160.3	173	-65.6	-27.4	0	0	0	111.4	T264 F265 V266 A272 A273 H275 V276 A277	D256-T264 WeakPolarHBondContact CA-O 3.33Å; D256-F265 VanDerWaalsContact OD1-CA 3.28Å; D256-F265 WeakPolarHBondContact OD1-CA 3.15Å; D256-F265 WeakPolarHBondContact OD2-CD1 3.5Å; D256-V266 PolarHBondContact OD1-N 3.08Å; D256-A272 WeakPolarHBondContact OD2-CA 3.41Å; D256-A273 PolarHBondContact OD2-N 3.03Å; D256-H275 PolarHBondContact N-O 3.23Å; D256-V276 HydrophobicContact CB-CG2 4.37Å; D256-V276 WeakPolarHBondContact O-CA 3.14Å; D256-A277 PolarHBondContact O-N 3.22Å
257	L	97.6	Very high	95.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.3	171.8	179.5	69.7	0	0	0	110	A241 H242 F245 T259 E262 R263 T264 A277	A241-L257 HydrophobicContact CB-CD1 3.88Å; H242-L257 WeakPolarHBondContact CE1-CD2 3.47Å; F245-L257 HydrophobicContact CB-CB 4.38Å; F245-L257 HydrophobicContact CB-CD1 4.06Å; F245-L257 HydrophobicContact CD1-CB 4.49Å; F245-L257 HydrophobicContact CD2-CB 3.61Å; F245-L257 HydrophobicContact CE2-CB 3.9Å; F245-L257 HydrophobicContact CG-CB 3.93Å; F245-L257 HydrophobicContact CG-CD1 4.41Å; F245-L257 HydrophobicContact CZ-CB 4.48Å; L257-T259 HydrophobicContact CD1-CG2 3.98Å; L257-T259 HydrophobicContact CG-CG2 4.21Å; L257-E262 HydrophobicContact CD2-CG 4.24Å; L257-R263 VanDerWaalsContact O-CA 3.3Å; L257-R263 WeakPolarHBondContact O-CA 3.43Å; L257-T264 PolarHBondContact N-O 3.09Å; L257-T264 PolarHBondContact O-N 3.39Å; L257-A277 WeakPolarHBondContact CA-O 3.35Å
258	V	97.6	Very high	95	Very high	27 Å²	27	45 Å²	45	16%	0.164	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	104.8	174.4	-175.4	0	0	0	0	111.1	R263 V276 A277 C278 T279 M282	V258-R263 HydrophobicContact CG1-CG 4.33Å; V258-V276 HydrophobicContact CB-CG2 4.21Å; V258-V276 HydrophobicContact CG2-CG2 3.69Å; V258-A277 PolarHBondContact N-O 3.27Å; V258-C278 HydrophobicContact CB-CB 4.16Å; V258-C278 WeakPolarHBondContact O-CA 2.99Å; V258-C278 WeakPolarHBondContact O-CB 3.29Å; V258-T279 PolarHBondContact O-N 3.5Å; V258-M282 HydrophobicContact CG1-CB 3.98Å; V258-M282 HydrophobicContact CG1-CE 4.28Å
259	T	96.6	Very high	94.5	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.012	31%	0.313	C	S	.	.			trans	-115.2	-173.9	172.8	71.6	0	0	0	0	111	A241 L257 E261 E262 T279	A241-T259 HydrophobicContact CB-CG2 4.19Å; L257-T259 HydrophobicContact CD1-CG2 3.98Å; L257-T259 HydrophobicContact CG-CG2 4.21Å; T259-E261 VanDerWaalsContact C-N 3.28Å; T259-E261 PolarHBondContact OG1-N 3.23Å; T259-E262 PolarHBondContact N-O 3.37Å; T259-E262 PolarHBondContact OG1-N 2.85Å; T259-E262 PolarHBondContact OG1-O 3.1Å; T259-E262 VanDerWaalsContact OG1-O 3.09Å; T259-T279 HydrophobicContact CG2-CG2 4.21Å
260	G	94.2	Very high	93.9	Very high	6 Å²	6	51.5 Å²	51.5	6%	0.062	32%	0.322	C	S	.	.	S	Bend	trans	-64.9	-33.7	173.8	0	0	0	0	0	112.8	R648	G260-R648 PolarHBondContact O-NH1 3.36Å
261	E	93.1	Very high	93.5	Very high	17 Å²	17	53.8 Å²	53.8	8%	0.079	31%	0.312	C	S	.	.	S	Bend	trans	-125.9	-0.7	-163.9	-51.6	82.8	167.9	0	0	113.3	K238 T259 D640 L643 W644	K238-E261 VanDerWaalsContact CE-OE1 3.27Å; K238-E261 WeakPolarHBondContact CE-OE1 3.33Å; K238-E261 WeakPolarHBondContact CE-OE2 3.21Å; K238-E261 IonicContact NZ-OE1 3.56Å; K238-E261 PolarHBondContact NZ-OE1 3.25Å; K238-E261 IonicContact NZ-OE2 3.15Å; K238-E261 PolarHBondContact NZ-OE2 3.34Å; T259-E261 VanDerWaalsContact C-N 3.28Å; T259-E261 PolarHBondContact OG1-N 3.23Å; E261-D640 HydrophobicContact CG-CB 4.37Å; E261-L643 HydrophobicContact CB-CB 4.23Å; E261-L643 WeakPolarHBondContact O-CB 3.49Å; E261-W644 HydrophobicContact CG-CB 3.99Å; E261-W644 HydrophobicContact CG-CG 4.49Å
262	E	92.4	Very high	93.3	Very high	42 Å²	42	54.8 Å²	54.8	20%	0.196	32%	0.32	C	S	.	.			trans	-146.2	135.5	177	-170.7	171.1	143.4	0	0	110.5	H242 L257 T259 T264	H242-E262 IonicContact CE1-OE1 3.62Å; H242-E262 IonicContact CE1-OE2 2.68Å; L257-E262 HydrophobicContact CD2-CG 4.24Å; T259-E262 PolarHBondContact N-O 3.37Å; T259-E262 PolarHBondContact OG1-N 2.85Å; T259-E262 PolarHBondContact OG1-O 3.1Å; T259-E262 VanDerWaalsContact OG1-O 3.09Å; E262-T264 PolarHBondContact OE1-OG1 3.03Å
263	R	93.6	Very high	93.3	Very high	95 Å²	95	53 Å²	53	36%	0.358	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	124.3	167.1	-60.7	-173.5	-173.9	166.4	3.9	109	L257 V258 Y647	L257-R263 VanDerWaalsContact O-CA 3.3Å; L257-R263 WeakPolarHBondContact O-CA 3.43Å; V258-R263 HydrophobicContact CG1-CG 4.33Å; R263-Y647 HydrophobicContact CB-CD1 4.41Å; R263-Y647 HydrophobicContact CB-CE1 3.69Å; R263-Y647 HydrophobicContact CG-CD1 3.88Å; R263-Y647 HydrophobicContact CG-CE1 3.62Å; R263-Y647 HydrophobicContact CG-CE2 4.42Å; R263-Y647 HydrophobicContact CG-CG 4.38Å; R263-Y647 PolarHBondContact N-OH 3.22Å
264	T	92.7	Very high	93.2	Very high	48 Å²	48	53.6 Å²	53.6	29%	0.294	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	116.5	-177.3	-58.9	0	0	0	0	108.7	F245 D256 L257 E262	F245-T264 HydrophobicContact CE2-CG2 4.45Å; F245-T264 HydrophobicContact CZ-CG2 3.97Å; D256-T264 WeakPolarHBondContact CA-O 3.33Å; L257-T264 PolarHBondContact N-O 3.09Å; L257-T264 PolarHBondContact O-N 3.39Å; E262-T264 PolarHBondContact OE1-OG1 3.03Å
265	F	93.2	Very high	93.2	Very high	106 Å²	106	50.3 Å²	50.3	47%	0.465	29%	0.288	S	S	.	.			trans	-93.3	134.2	173.5	-63	-80.5	0	0	0	109.3	D256	D256-F265 VanDerWaalsContact OD1-CA 3.28Å; D256-F265 WeakPolarHBondContact OD1-CA 3.15Å; D256-F265 WeakPolarHBondContact OD2-CD1 3.5Å
266	V	92.7	Very high	93.2	Very high	51 Å²	51	51.2 Å²	51.2	31%	0.309	29%	0.293	S	S	.	.	S	Bend	trans	-86.7	-20.1	-178.8	-62.9	0	0	0	0	113.6	F245 P254 C255 D256 A273	F245-V266 HydrophobicContact CE2-CG1 3.76Å; F245-V266 HydrophobicContact CZ-CG1 4.19Å; P254-V266 HydrophobicContact CB-CG2 3.92Å; C255-V266 WeakPolarHBondContact O-CG1 3.25Å; D256-V266 PolarHBondContact OD1-N 3.08Å; V266-A273 HydrophobicContact CG2-CB 4.05Å
267	D	89.4	Confident	93.3	Very high	38 Å²	38	50.9 Å²	50.9	20%	0.203	29%	0.292	C	S	.	.	S	Bend	trans	-80	122.5	173	-173.3	-65.1	0	0	0	110.4	E269 G270 R271	D267-E269 PolarHBondContact O-N 3.35Å; D267-E269 WeakPolarHBondContact OD1-CA 3.39Å; D267-E269 VanDerWaalsContact OD1-CB 3.26Å; D267-E269 WeakPolarHBondContact OD1-CB 3.35Å; D267-E269 PolarHBondContact OD1-N 3.37Å; D267-G270 PolarHBondContact O-N 3.38Å; D267-G270 PolarHBondContact OD1-N 3.18Å; D267-R271 HydrophobicContact CB-CB 4.11Å; D267-R271 WeakPolarHBondContact CB-O 3.43Å; D267-R271 IonicContact OD1-CZ 3.93Å; D267-R271 IonicContact OD1-NE 3.41Å; D267-R271 IonicContact OD1-NH2 3.88Å; D267-R271 PolarHBondContact OD1-NH2 2.89Å; D267-R271 IonicContact OD2-CZ 3.87Å; D267-R271 IonicContact OD2-NE 2.71Å; D267-R271 PolarHBondContact OD2-NE 2.95Å; D267-R271 IonicContact OD2-NH2 2.64Å; D267-R271 PolarHBondContact OD2-NH2 2.89Å
268	P	86.2	Confident	93.3	Very high	135 Å²	135	51 Å²	51	88%	0.877	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.9	-178.9	-24.2	35.1	0	0	0	115.3	G270	P268-G270 VanDerWaalsContact C-N 3.28Å
269	E	87.4	Confident	93.3	Very high	142 Å²	142	50.2 Å²	50.2	66%	0.664	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	0.9	175.5	-51.7	-180	152.2	0	0	111.5	D267 R271	D267-E269 PolarHBondContact O-N 3.35Å; D267-E269 WeakPolarHBondContact OD1-CA 3.39Å; D267-E269 VanDerWaalsContact OD1-CB 3.26Å; D267-E269 WeakPolarHBondContact OD1-CB 3.35Å; D267-E269 PolarHBondContact OD1-N 3.37Å; E269-R271 IonicContact OE2-CZ 3.93Å; E269-R271 IonicContact OE2-NE 3.13Å; E269-R271 IonicContact OE2-NH1 3.51Å; E269-R271 PolarHBondContact OE2-NH1 3.26Å; E269-R271 IonicContact OE2-NH2 2.75Å; E269-R271 PolarHBondContact OE2-NH2 3.09Å
270	G	83.8	Confident	93.4	Very high	46 Å²	46	50.1 Å²	50.1	47%	0.474	29%	0.287	S	S	.	.			trans	78.5	17.4	176.5	0	0	0	0	0	114.5	D267 P268	D267-G270 PolarHBondContact O-N 3.38Å; D267-G270 PolarHBondContact OD1-N 3.18Å; P268-G270 VanDerWaalsContact C-N 3.28Å
271	R	89.9	Confident	93.5	Very high	140 Å²	140	52.3 Å²	52.3	53%	0.528	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-71.5	141.3	173	-64.2	-174.5	-69.8	-114.6	-19.1	110.7	D267 E269	D267-R271 HydrophobicContact CB-CB 4.11Å; D267-R271 WeakPolarHBondContact CB-O 3.43Å; D267-R271 IonicContact OD1-CZ 3.93Å; D267-R271 IonicContact OD1-NE 3.41Å; D267-R271 IonicContact OD1-NH2 3.88Å; D267-R271 PolarHBondContact OD1-NH2 2.89Å; D267-R271 IonicContact OD2-CZ 3.87Å; D267-R271 IonicContact OD2-NE 2.71Å; D267-R271 PolarHBondContact OD2-NE 2.95Å; D267-R271 IonicContact OD2-NH2 2.64Å; D267-R271 PolarHBondContact OD2-NH2 2.89Å; E269-R271 IonicContact OE2-CZ 3.93Å; E269-R271 IonicContact OE2-NE 3.13Å; E269-R271 IonicContact OE2-NH1 3.51Å; E269-R271 PolarHBondContact OE2-NH1 3.26Å; E269-R271 IonicContact OE2-NH2 2.75Å; E269-R271 PolarHBondContact OE2-NH2 3.09Å
272	A	91.9	Very high	93.7	Very high	82 Å²	82	53.5 Å²	53.5	68%	0.678	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-65.5	133.8	171	0	0	0	0	0	110.6	D256	D256-A272 WeakPolarHBondContact OD2-CA 3.41Å
273	A	95.2	Very high	94	Very high	28 Å²	28	51.6 Å²	51.6	23%	0.231	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-71.9	164.1	173.5	0	0	0	0	0	111.8	P254 D256 V266 H275	P254-A273 HydrophobicContact CB-CB 4.41Å; P254-A273 WeakPolarHBondContact O-CB 3.33Å; D256-A273 PolarHBondContact OD2-N 3.03Å; V266-A273 HydrophobicContact CG2-CB 4.05Å; A273-H275 PolarHBondContact O-N 3.41Å
274	G	95.6	Very high	94.1	Very high	37 Å²	37	49.1 Å²	49.1	38%	0.381	29%	0.29	S	S	.	.	S	Bend	trans	-65.3	-27.2	172.6	0	0	0	0	0	112.7	S230 G231	S230-G274 CarbonylContact C-O 3.27Å; S230-G274 WeakPolarHBondContact CA-O 2.95Å; S230-G274 WeakPolarHBondContact CB-O 3.39Å; G231-G274 PolarHBondContact N-O 2.85Å
275	H	98.5	Very high	94.3	Very high	9 Å²	9	47.5 Å²	47.5	4%	0.042	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	147.4	-178.4	-64.4	70	0	0	0	111.7	Y225 A228 G231 V253 C255 D256 A273	Y225-H275 AromaticContact CE1-CD2 3.97Å; Y225-H275 HydrophobicContact CE2-CB 4.46Å; Y225-H275 AromaticContact CE2-CD2 3.89Å; Y225-H275 AromaticContact CZ-CD2 3.8Å; Y225-H275 PolarHBondContact O-CD2 3.38Å; Y225-H275 PolarHBondContact O-NE2 3.15Å; A228-H275 PolarHBondContact O-CE1 3.01Å; A228-H275 PolarHBondContact O-NE2 3.34Å; A228-H275 VanDerWaalsContact O-NE2 3.17Å; G231-H275 CarbonylContact O-C 3.51Å; G231-H275 VanDerWaalsContact O-CA 3.27Å; G231-H275 WeakPolarHBondContact O-CA 3.46Å; V253-H275 HydrophobicContact CG1-CB 4.44Å; C255-H275 CarbonylContact C-O 3.6Å; C255-H275 VanDerWaalsContact CA-O 3.29Å; C255-H275 WeakPolarHBondContact CA-O 3.14Å; C255-H275 HydrophobicContact CB-CB 3.99Å; D256-H275 PolarHBondContact N-O 3.23Å; A273-H275 PolarHBondContact O-N 3.41Å
276	V	98.4	Very high	94.4	Very high	18 Å²	18	47.9 Å²	47.9	11%	0.109	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	129.5	175.4	57.9	0	0	0	0	111.8	Y225 G231 V232 Y233 D256 V258 Y289	Y225-V276 PolarHBondContact OH-O 3.31Å; G231-V276 PolarHBondContact O-N 3.46Å; V232-V276 WeakPolarHBondContact CA-O 3.48Å; V232-V276 HydrophobicContact CB-CG1 3.97Å; V232-V276 HydrophobicContact CG2-CG1 3.96Å; Y233-V276 PolarHBondContact N-O 3.48Å; D256-V276 HydrophobicContact CB-CG2 4.37Å; D256-V276 WeakPolarHBondContact O-CA 3.14Å; V258-V276 HydrophobicContact CB-CG2 4.21Å; V258-V276 HydrophobicContact CG2-CG2 3.69Å; V276-Y289 HydrophobicContact CG1-CE1 4.02Å; V276-Y289 WeakPolarHBondContact CG1-OH 3.22Å
277	A	98.4	Very high	94.6	Very high	0 Å²	0	48 Å²	48	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	125.5	169.9	0	0	0	0	0	109.4	Y233 A241 I244 F245 C255 D256 L257 V258	Y233-A277 HydrophobicContact CD1-CB 4.27Å; A241-A277 WeakPolarHBondContact O-CB 3.3Å; I244-A277 HydrophobicContact CB-CB 4.25Å; I244-A277 HydrophobicContact CG2-CB 4.21Å; F245-A277 HydrophobicContact CB-CB 4.04Å; C255-A277 PolarHBondContact SG-N 2.97Å; C255-A277 VanDerWaalsContact SG-N 3.41Å; D256-A277 PolarHBondContact O-N 3.22Å; L257-A277 WeakPolarHBondContact CA-O 3.35Å; V258-A277 PolarHBondContact N-O 3.27Å
278	C	98.3	Very high	95	Very high	2 Å²	2	51 Å²	51	1%	0.014	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	157.7	-174.9	69.9	0	0	0	0	113.8	Y233 G235 V258	Y233-C278 PolarHBondContact O-N 3.12Å; Y233-C278 PolarHBondContact O-SG 3.13Å; G235-C278 PolarHBondContact N-O 3.5Å; V258-C278 HydrophobicContact CB-CB 4.16Å; V258-C278 WeakPolarHBondContact O-CA 2.99Å; V258-C278 WeakPolarHBondContact O-CB 3.29Å
279	T	98.2	Very high	95.6	Very high	10 Å²	10	45.8 Å²	45.8	6%	0.061	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	137.5	157.4	47.7	0	0	0	0	108.5	G235 K238 V258 T259 E281 M282	G235-T279 WeakPolarHBondContact O-CA 3.48Å; K238-T279 HydrophobicContact CG-CG2 4.27Å; V258-T279 PolarHBondContact O-N 3.5Å; T259-T279 HydrophobicContact CG2-CG2 4.21Å; T279-E281 PolarHBondContact O-N 3.05Å; T279-E281 VanDerWaalsContact O-N 3.07Å; T279-M282 WeakPolarHBondContact O-CB 3.22Å; T279-M282 PolarHBondContact O-N 3.49Å; T279-M282 WeakPolarHBondContact OG1-CG 3.5Å
280	I	98.3	Very high	96.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-54.6	-33.5	-169.3	-169.7	164.2	0	0	0	115.1	C234 G235 M282 C283 I294 A308 W309 A312	C234-I280 HydrophobicContact CB-CB 4.06Å; C234-I280 HydrophobicContact CB-CD1 4.25Å; C234-I280 HydrophobicContact CB-CG1 3.91Å; G235-I280 PolarHBondContact O-N 3.27Å; I280-M282 PolarHBondContact O-N 3.13Å; I280-M282 VanDerWaalsContact O-N 3.13Å; I280-C283 PolarHBondContact O-N 2.88Å; I280-C283 PolarHBondContact O-SG 3.23Å; I280-I294 HydrophobicContact CD1-CG2 3.77Å; I280-A308 HydrophobicContact CG2-CB 3.95Å; I280-W309 HydrophobicContact CD1-CB 4.14Å; I280-W309 VanDerWaalsContact CD1-CD1 3.43Å; I280-W309 HydrophobicContact CD1-CD2 3.63Å; I280-W309 HydrophobicContact CD1-CE3 4.4Å; I280-W309 HydrophobicContact CD1-CG 3.51Å; I280-W309 HydrophobicContact CD1-CZ2 4.26Å; I280-W309 HydrophobicContact CG2-CD2 4.29Å; I280-W309 HydrophobicContact CG2-CE3 4.15Å; I280-W309 HydrophobicContact CG2-CH2 3.66Å; I280-W309 HydrophobicContact CG2-CZ2 3.79Å; I280-W309 HydrophobicContact CG2-CZ3 3.84Å; I280-A312 HydrophobicContact CD1-CB 3.85Å; I280-A312 HydrophobicContact CG1-CB 3.82Å
281	E	97.1	Very high	96.8	Very high	52 Å²	52	38.1 Å²	38.1	24%	0.243	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-58.6	-24.5	174.9	-66.4	84	172.2	0	0	113.8	T279 R305 W307 A308	T279-E281 PolarHBondContact O-N 3.05Å; T279-E281 VanDerWaalsContact O-N 3.07Å; E281-R305 IonicContact OE1-CZ 3.82Å; E281-R305 IonicContact OE1-NE 2.71Å; E281-R305 PolarHBondContact OE1-NE 3.43Å; E281-R305 IonicContact OE1-NH2 3.73Å; E281-R305 PolarHBondContact OE1-NH2 3.05Å; E281-R305 IonicContact OE2-NH2 3.03Å; E281-R305 PolarHBondContact OE2-NH2 3.09Å; E281-W307 HydrophobicContact CG-CH2 4.38Å; E281-W307 HydrophobicContact CG-CZ2 4.24Å; E281-A308 HydrophobicContact CG-CB 3.95Å
282	M	97.1	Very high	97.3	Very high	43 Å²	43	31.4 Å²	31.4	21%	0.212	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-100.1	-0.7	-171.8	-59.2	-60.4	-57.4	0	0	113.7	V258 T279 I280 R648	V258-M282 HydrophobicContact CG1-CB 3.98Å; V258-M282 HydrophobicContact CG1-CE 4.28Å; T279-M282 WeakPolarHBondContact O-CB 3.22Å; T279-M282 PolarHBondContact O-N 3.49Å; T279-M282 WeakPolarHBondContact OG1-CG 3.5Å; I280-M282 PolarHBondContact O-N 3.13Å; I280-M282 VanDerWaalsContact O-N 3.13Å; M282-R648 PolarHBondContact SD-NH2 3.32Å; M282-R648 VanDerWaalsContact SD-NH2 3.35Å
283	C	97.2	Very high	97.6	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.014	17%	0.167	C	C	.	.			trans	-65.7	142.6	-178.6	68.2	0	0	0	0	112.3	V232 C234 I280 R311 L316	V232-C283 HydrophobicContact CG2-CB 4.41Å; C234-C283 VanDerWaalsContact SG-CB 3.53Å; I280-C283 PolarHBondContact O-N 2.88Å; I280-C283 PolarHBondContact O-SG 3.23Å; C283-R311 PolarHBondContact O-NH1 3.27Å; C283-R311 PolarHBondContact O-NH2 3.08Å; C283-R311 PolarHBondContact SG-NH1 2.94Å; C283-L316 HydrophobicContact CB-CD2 4.12Å
284	S	96.5	Very high	97.7	Very high	42 Å²	42	26.2 Å²	26.2	29%	0.294	16%	0.156	S	C	.	.			trans	-82.6	124.5	173.7	-177.4	0	0	0	0	110.3	N286 T287 L316	S284-N286 VanDerWaalsContact C-N 3.34Å; S284-N286 PolarHBondContact OG-N 2.94Å; S284-T287 VanDerWaalsContact CB-OG1 3.24Å; S284-T287 WeakPolarHBondContact CB-OG1 3.49Å; S284-T287 PolarHBondContact OG-N 3Å; S284-T287 PolarHBondContact OG-OG1 3.39Å; S284-L316 VanDerWaalsContact O-CD2 3.31Å; S284-L316 WeakPolarHBondContact O-CD2 3.29Å
285	V	96.6	Very high	97.8	Very high	14 Å²	14	24.9 Å²	24.9	9%	0.085	14%	0.14	C	C	.	.	S	Bend	trans	-89.9	-1.9	171.5	-65.6	0	0	0	0	112.5	Y196 R311 G315 C317	Y196-V285 HydrophobicContact CD1-CB 4.37Å; Y196-V285 HydrophobicContact CD1-CG2 4.26Å; Y196-V285 HydrophobicContact CE1-CG2 4.39Å; V285-R311 HydrophobicContact CG1-CG 4.07Å; V285-G315 WeakPolarHBondContact CA-O 3.45Å; V285-G315 VanDerWaalsContact CB-O 3.23Å; V285-G315 WeakPolarHBondContact CB-O 3.29Å; V285-C317 PolarHBondContact O-SG 2.75Å
286	N	95.8	Very high	97.7	Very high	114 Å²	114	25.1 Å²	25.1	61%	0.61	14%	0.141	S	C	*	.	S	Bend	trans	-112.2	-1	-177.4	-60.1	14.4	0	0	0	112.6	S284	S284-N286 VanDerWaalsContact C-N 3.34Å; S284-N286 PolarHBondContact OG-N 2.94Å
287	T	96.9	Very high	97.6	Very high	54 Å²	54	24.2 Å²	24.2	33%	0.331	14%	0.136	S	C	.	.	S	Bend	trans	-99.4	128.3	179.3	-56.6	0	0	0	0	109.1	S284 Y289	S284-T287 VanDerWaalsContact CB-OG1 3.24Å; S284-T287 WeakPolarHBondContact CB-OG1 3.49Å; S284-T287 PolarHBondContact OG-N 3Å; S284-T287 PolarHBondContact OG-OG1 3.39Å; T287-Y289 HydrophobicContact CG2-CE1 3.96Å; T287-Y289 HydrophobicContact CG2-CE2 3.91Å; T287-Y289 WeakPolarHBondContact O-CD2 3.36Å; T287-Y289 WeakPolarHBondContact O-CE2 3.23Å
288	P	97.8	Very high	97.5	Very high	102 Å²	102	25 Å²	25	66%	0.662	14%	0.14	S	C	*	.			trans	-74.7	136.9	175.6	30.5	-34	0	0	0	111.2	C317	P288-C317 CarbonylContact C-O 3.47Å; P288-C317 WeakPolarHBondContact CA-O 3.35Å
289	Y	98.4	Very high	97.4	Very high	25 Å²	25	26.6 Å²	26.6	10%	0.098	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	151.6	176.8	-63.4	-73	0	0	0	110.6	G231 V232 V276 T287 C317 A318 E319	G231-Y289 VanDerWaalsContact C-CD1 3.5Å; V232-Y289 HydrophobicContact CB-CD1 4.26Å; V232-Y289 HydrophobicContact CB-CD2 4.14Å; V232-Y289 HydrophobicContact CB-CE1 4.02Å; V232-Y289 HydrophobicContact CB-CE2 3.89Å; V232-Y289 HydrophobicContact CB-CG 4.31Å; V232-Y289 HydrophobicContact CG1-CD1 4.36Å; V232-Y289 HydrophobicContact CG1-CD2 3.56Å; V232-Y289 HydrophobicContact CG1-CE1 4.47Å; V232-Y289 HydrophobicContact CG1-CE2 3.69Å; V232-Y289 HydrophobicContact CG1-CG 3.91Å; V276-Y289 HydrophobicContact CG1-CE1 4.02Å; V276-Y289 WeakPolarHBondContact CG1-OH 3.22Å; T287-Y289 HydrophobicContact CG2-CE1 3.96Å; T287-Y289 HydrophobicContact CG2-CE2 3.91Å; T287-Y289 WeakPolarHBondContact O-CD2 3.36Å; T287-Y289 WeakPolarHBondContact O-CE2 3.23Å; Y289-C317 PolarHBondContact N-O 3Å; Y289-A318 VanDerWaalsContact O-CA 3.29Å; Y289-A318 WeakPolarHBondContact O-CA 3.37Å; Y289-E319 PolarHBondContact O-N 2.7Å
290	E	98.6	Very high	97.4	Very high	26 Å²	26	26.1 Å²	26.1	12%	0.121	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	-44.7	167.2	-170.1	-167.8	125.4	0	0	109.8	R224 A228 K229 S230 E319 E320	R224-E290 IonicContact CZ-OE1 3.76Å; R224-E290 VanDerWaalsContact CZ-OE1 3.29Å; R224-E290 IonicContact NH1-OE1 2.73Å; R224-E290 PolarHBondContact NH1-OE1 2.77Å; R224-E290 IonicContact NH2-OE1 3.97Å; R224-E290 PolarHBondContact NH2-OE1 3.23Å; A228-E290 WeakPolarHBondContact CA-OE1 3.34Å; A228-E290 HydrophobicContact CB-CB 4.2Å; A228-E290 HydrophobicContact CB-CG 4.37Å; K229-E290 WeakPolarHBondContact CB-OE2 3.45Å; K229-E290 WeakPolarHBondContact CD-OE2 3.34Å; K229-E290 VanDerWaalsContact CG-OE2 3.28Å; K229-E290 WeakPolarHBondContact CG-OE2 3.32Å; K229-E290 PolarHBondContact N-OE2 3.34Å; S230-E290 WeakPolarHBondContact O-CB 3.39Å; S230-E290 PolarHBondContact O-N 2.68Å; S230-E290 PolarHBondContact OG-N 3.38Å; S230-E290 VanDerWaalsContact OG-N 3.12Å; E290-E319 PolarHBondContact O-N 3.48Å; E290-E320 PolarHBondContact O-N 2.84Å; E290-E320 VanDerWaalsContact O-N 3.09Å
291	V	98.8	Very high	97.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	128.3	-178.3	171.5	0	0	0	0	112.6	R224 A228 S230 G231 V232 V293 E320	R224-V291 HydrophobicContact CG-CG1 4.44Å; R224-V291 HydrophobicContact CG-CG2 4.01Å; A228-V291 HydrophobicContact CB-CB 3.87Å; A228-V291 HydrophobicContact CB-CG2 3.6Å; S230-V291 PolarHBondContact O-N 2.89Å; G231-V291 CarbonylContact C-O 3.54Å; G231-V291 WeakPolarHBondContact CA-O 3.38Å; V232-V291 PolarHBondContact N-O 2.98Å; V291-V293 HydrophobicContact CG1-CG2 4.17Å; V291-E320 WeakPolarHBondContact CA-O 3.21Å; V291-E320 HydrophobicContact CG2-CB 4.49Å
292	A	98.8	Very high	97.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	143.8	163.6	0	0	0	0	0	111	V232 L316 A318 E320 I321 H322	V232-A292 HydrophobicContact CG1-CB 3.8Å; V232-A292 CarbonylContact O-C 3.58Å; V232-A292 WeakPolarHBondContact O-CA 3.41Å; A292-L316 HydrophobicContact CB-CB 4.47Å; A292-L316 HydrophobicContact CB-CD1 3.8Å; A292-A318 HydrophobicContact CB-CB 3.6Å; A292-E320 PolarHBondContact N-O 3.35Å; A292-I321 HydrophobicContact CB-CG1 4.31Å; A292-I321 HydrophobicContact CB-CG2 4.5Å; A292-H322 PolarHBondContact O-N 2.97Å
293	V	98.8	Very high	97	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	117.7	171.5	-178.7	0	0	0	0	109.4	A221 I222 Y225 V232 Y233 C234 V291 H322	A221-V293 HydrophobicContact CB-CG1 3.91Å; A221-V293 HydrophobicContact CB-CG2 4.2Å; I222-V293 HydrophobicContact CD1-CG1 4.41Å; Y225-V293 HydrophobicContact CD2-CG2 4.45Å; Y225-V293 HydrophobicContact CG-CG2 4.45Å; V232-V293 PolarHBondContact O-N 3.29Å; Y233-V293 HydrophobicContact CD2-CB 4.01Å; Y233-V293 HydrophobicContact CD2-CG1 3.86Å; Y233-V293 HydrophobicContact CE2-CG1 4.21Å; C234-V293 PolarHBondContact N-O 3.15Å; V291-V293 HydrophobicContact CG1-CG2 4.17Å; V293-H322 CarbonylContact C-O 3.54Å; V293-H322 VanDerWaalsContact CA-O 3.31Å; V293-H322 WeakPolarHBondContact CA-O 3.28Å; V293-H322 HydrophobicContact CG2-CB 4.23Å
294	I	98.7	Very high	96.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	112.9	174.1	-53.8	175.9	0	0	0	108.4	I280 I297 A312 L313 L316 I321 H322 V323 C324	I280-I294 HydrophobicContact CD1-CG2 3.77Å; I294-I297 HydrophobicContact CG2-CD1 4.06Å; I294-A312 HydrophobicContact CD1-CB 3.89Å; I294-A312 HydrophobicContact CG1-CB 4.4Å; I294-L313 HydrophobicContact CD1-CB 4.18Å; I294-L313 HydrophobicContact CD1-CD1 4.46Å; I294-L316 HydrophobicContact CD1-CD1 4.17Å; I294-L316 HydrophobicContact CG1-CD1 4.16Å; I294-I321 HydrophobicContact CD1-CG2 3.99Å; I294-I321 HydrophobicContact CG1-CG2 4.44Å; I294-H322 PolarHBondContact N-O 3.38Å; I294-V323 HydrophobicContact CB-CG1 4.28Å; I294-V323 HydrophobicContact CD1-CG1 4.31Å; I294-V323 WeakPolarHBondContact O-CA 3.09Å; I294-C324 PolarHBondContact O-N 3.28Å
295	D	97.4	Very high	96.7	Very high	10 Å²	10	34.9 Å²	34.9	5%	0.053	19%	0.188	C	C	.	.			trans	-92.2	153	-179.9	-158.4	26.5	0	0	0	112.6	T218 Y233 C234 I297 W309 C324	T218-D295 PolarHBondContact OG1-OD1 2.88Å; Y233-D295 HydrophobicContact CE2-CB 4.02Å; Y233-D295 PolarHBondContact OH-OD2 3.47Å; C234-D295 PolarHBondContact O-N 3.24Å; D295-I297 PolarHBondContact O-N 2.89Å; D295-W309 PolarHBondContact O-NE1 3.11Å; D295-C324 WeakPolarHBondContact OD1-CB 3.38Å
296	E	95.6	Very high	96.8	Very high	13 Å²	13	34.2 Å²	34.2	6%	0.061	18%	0.184	C	C	.	.	S	Bend	trans	46.5	50.9	-174.6	-56	-74.3	-149.7	0	0	113.6	P236 Q298 M299 W309 C324	P236-E296 HydrophobicContact CG-CB 4.25Å; P236-E296 HydrophobicContact CG-CG 4Å; E296-Q298 PolarHBondContact O-N 3.19Å; E296-Q298 PolarHBondContact OE2-NE2 2.86Å; E296-M299 HydrophobicContact CB-CG 4.12Å; E296-M299 VanDerWaalsContact O-CB 3.31Å; E296-M299 WeakPolarHBondContact O-CB 3.5Å; E296-M299 VanDerWaalsContact O-CG 3.3Å; E296-M299 WeakPolarHBondContact O-CG 3.39Å; E296-M299 PolarHBondContact O-N 3.16Å; E296-W309 PolarHBondContact O-NE1 3.41Å; E296-C324 CarbonylContact C-O 3.48Å; E296-C324 VanDerWaalsContact CA-O 3.32Å; E296-C324 WeakPolarHBondContact CA-O 3.25Å; E296-C324 PolarHBondContact N-O 2.94Å
297	I	97.4	Very high	96.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-53.4	-25.2	-173.5	-174.3	58.2	0	0	0	114.7	F208 I294 D295 M299 I300 W309 V323 C324 A329 I333	F208-I297 HydrophobicContact CE1-CG2 4.45Å; F208-I297 HydrophobicContact CE2-CG2 4.07Å; F208-I297 HydrophobicContact CZ-CG2 3.76Å; I294-I297 HydrophobicContact CG2-CD1 4.06Å; D295-I297 PolarHBondContact O-N 2.89Å; I297-M299 PolarHBondContact O-N 2.85Å; I297-M299 VanDerWaalsContact O-N 3.09Å; I297-I300 VanDerWaalsContact O-CB 3.31Å; I297-I300 WeakPolarHBondContact O-CB 3.16Å; I297-I300 VanDerWaalsContact O-CG2 3.29Å; I297-I300 WeakPolarHBondContact O-CG2 3.23Å; I297-I300 PolarHBondContact O-N 3.2Å; I297-W309 HydrophobicContact CD1-CB 4.47Å; I297-V323 HydrophobicContact CB-CB 4.16Å; I297-V323 HydrophobicContact CD1-CG1 4.5Å; I297-V323 HydrophobicContact CG1-CB 4.16Å; I297-V323 HydrophobicContact CG1-CG1 4.43Å; I297-V323 HydrophobicContact CG2-CB 4.25Å; I297-V323 HydrophobicContact CG2-CG2 4.5Å; I297-C324 PolarHBondContact N-O 2.92Å; I297-A329 HydrophobicContact CG2-CB 4.47Å; I297-I333 HydrophobicContact CD1-CD1 4.17Å; I297-I333 HydrophobicContact CG1-CD1 3.84Å; I297-I333 HydrophobicContact CG1-CG1 4.22Å
298	Q	95.6	Very high	96.9	Very high	17 Å²	17	29.7 Å²	29.7	8%	0.079	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-61.3	-15.1	173.5	70.1	-79.6	-6.3	0	0	114.2	E296 I300 R301 E326 A329 V509	E296-Q298 PolarHBondContact O-N 3.19Å; E296-Q298 PolarHBondContact OE2-NE2 2.86Å; Q298-I300 PolarHBondContact O-N 3.01Å; Q298-I300 VanDerWaalsContact O-N 3.15Å; Q298-R301 WeakPolarHBondContact O-CG 3.41Å; Q298-R301 PolarHBondContact O-N 2.88Å; Q298-E326 HydrophobicContact CB-CG 3.7Å; Q298-E326 WeakPolarHBondContact CB-OE1 3.1Å; Q298-E326 HydrophobicContact CG-CG 3.75Å; Q298-E326 WeakPolarHBondContact CG-OE1 3.49Å; Q298-A329 HydrophobicContact CB-CB 4.26Å; Q298-V509 HydrophobicContact CB-CG2 4.48Å
299	M	95.9	Very high	96.9	Very high	34 Å²	34	24.9 Å²	24.9	17%	0.167	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-65	-7.3	170	-67.5	-63.3	-60.7	0	0	113	E296 I297 R301 D302 G306 W309 M433	E296-M299 HydrophobicContact CB-CG 4.12Å; E296-M299 VanDerWaalsContact O-CB 3.31Å; E296-M299 WeakPolarHBondContact O-CB 3.5Å; E296-M299 VanDerWaalsContact O-CG 3.3Å; E296-M299 WeakPolarHBondContact O-CG 3.39Å; E296-M299 PolarHBondContact O-N 3.16Å; I297-M299 PolarHBondContact O-N 2.85Å; I297-M299 VanDerWaalsContact O-N 3.09Å; M299-R301 PolarHBondContact O-N 3.07Å; M299-D302 HydrophobicContact CE-CB 3.86Å; M299-D302 WeakPolarHBondContact CE-OD2 3.46Å; M299-D302 WeakPolarHBondContact O-CB 3.47Å; M299-D302 PolarHBondContact O-N 2.9Å; M299-G306 WeakPolarHBondContact O-CA 3.3Å; M299-W309 HydrophobicContact CB-CD2 3.58Å; M299-W309 VanDerWaalsContact CB-CE2 3.45Å; M299-W309 HydrophobicContact CB-CE3 3.75Å; M299-W309 HydrophobicContact CB-CG 4.32Å; M299-W309 HydrophobicContact CB-CH2 3.74Å; M299-W309 HydrophobicContact CB-CZ2 3.56Å; M299-W309 HydrophobicContact CB-CZ3 3.83Å; M299-W309 HydrophobicContact CE-CH2 4.48Å; M299-W309 HydrophobicContact CG-CH2 4.14Å; M299-W309 HydrophobicContact CG-CZ2 3.94Å; M299-M433 HydrophobicContact SD-CE 4.26Å
300	I	97.9	Very high	96.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-59.2	-24.8	171.4	-158.8	167.6	0	0	0	113.7	I297 Q298 G306 W309 T310 L313 F332 I333 L336 V509 A512 G513	I297-I300 VanDerWaalsContact O-CB 3.31Å; I297-I300 WeakPolarHBondContact O-CB 3.16Å; I297-I300 VanDerWaalsContact O-CG2 3.29Å; I297-I300 WeakPolarHBondContact O-CG2 3.23Å; I297-I300 PolarHBondContact O-N 3.2Å; Q298-I300 PolarHBondContact O-N 3.01Å; Q298-I300 VanDerWaalsContact O-N 3.15Å; I300-G306 WeakPolarHBondContact O-CA 3.26Å; I300-W309 HydrophobicContact CB-CB 3.75Å; I300-W309 HydrophobicContact CB-CG 4.49Å; I300-W309 HydrophobicContact CD1-CB 4.41Å; I300-W309 HydrophobicContact CG1-CB 3.86Å; I300-T310 WeakPolarHBondContact CG1-OG1 3.49Å; I300-L313 HydrophobicContact CD1-CD2 4.08Å; I300-F332 HydrophobicContact CD1-CE1 4.41Å; I300-F332 HydrophobicContact CG2-CE1 4.26Å; I300-I333 HydrophobicContact CD1-CD1 4.33Å; I300-L336 HydrophobicContact CD1-CD2 4.18Å; I300-V509 HydrophobicContact CG2-CG1 4.05Å; I300-A512 HydrophobicContact CD1-CB 3.82Å; I300-A512 HydrophobicContact CG1-CB 3.69Å; I300-G513 PolarHBondContact O-N 2.91Å
301	R	96.1	Very high	96.9	Very high	75 Å²	75	25.2 Å²	25.2	28%	0.283	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	-89.1	3.8	170.7	57.4	158.5	171.4	-158.1	-4.8	114.8	Q298 M299 P303 E326 D507 P508 V509	Q298-R301 WeakPolarHBondContact O-CG 3.41Å; Q298-R301 PolarHBondContact O-N 2.88Å; M299-R301 PolarHBondContact O-N 3.07Å; R301-P303 WeakPolarHBondContact O-CD 3.33Å; R301-E326 IonicContact CZ-OE1 3.26Å; R301-E326 IonicContact NH2-OE1 2.75Å; R301-E326 PolarHBondContact NH2-OE1 3.34Å; R301-D507 PolarHBondContact NH1-O 2.93Å; R301-D507 PolarHBondContact NH2-O 3.23Å; R301-P508 PolarHBondContact NH1-O 3.24Å; R301-V509 HydrophobicContact CB-CG1 4.13Å; R301-V509 HydrophobicContact CG-CG1 4.31Å; R301-V509 HydrophobicContact CG-CG2 4.09Å
302	D	94.9	Very high	96.9	Very high	46 Å²	46	25.2 Å²	25.2	25%	0.246	12%	0.121	C	C	.	.			trans	-63.6	125.2	178.7	-177.6	-83.3	0	0	0	110.3	M299 S304 R305 G306	M299-D302 HydrophobicContact CE-CB 3.86Å; M299-D302 WeakPolarHBondContact CE-OD2 3.46Å; M299-D302 WeakPolarHBondContact O-CB 3.47Å; M299-D302 PolarHBondContact O-N 2.9Å; D302-S304 PolarHBondContact O-N 3.03Å; D302-S304 VanDerWaalsContact O-N 3.08Å; D302-S304 PolarHBondContact OD1-N 3.28Å; D302-R305 PolarHBondContact OD1-N 3.13Å; D302-G306 WeakPolarHBondContact O-CA 3.2Å; D302-G306 PolarHBondContact O-N 2.94Å
303	P	93.7	Very high	96.9	Very high	79 Å²	79	25.2 Å²	25.2	51%	0.513	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-27.5	-174.1	-29.7	36.7	0	0	0	114.8	R301 C553 N554	R301-P303 WeakPolarHBondContact O-CD 3.33Å; P303-C553 CarbonylContact O-C 3.53Å; P303-C553 WeakPolarHBondContact O-CA 3.39Å; P303-C553 VanDerWaalsContact O-CB 3.24Å; P303-C553 WeakPolarHBondContact O-CB 3.48Å; P303-N554 PolarHBondContact O-N 3.13Å
304	S	92.1	Very high	96.9	Very high	53 Å²	53	25.2 Å²	25.2	37%	0.371	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-33.4	-175.2	-62.9	0	0	0	0	113.5	D302 W307	D302-S304 PolarHBondContact O-N 3.03Å; D302-S304 VanDerWaalsContact O-N 3.08Å; D302-S304 PolarHBondContact OD1-N 3.28Å; S304-W307 PolarHBondContact O-NE1 2.87Å
305	R	95.6	Very high	96.8	Very high	71 Å²	71	25.2 Å²	25.2	27%	0.268	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112	-7.8	-174	-62.5	179.2	65.6	-158.3	2.4	114.7	P236 E281 D302 W307 A308 W309	P236-R305 PolarHBondContact O-NH1 2.89Å; P236-R305 PolarHBondContact O-NH2 2.82Å; E281-R305 IonicContact OE1-CZ 3.82Å; E281-R305 IonicContact OE1-NE 2.71Å; E281-R305 PolarHBondContact OE1-NE 3.43Å; E281-R305 IonicContact OE1-NH2 3.73Å; E281-R305 PolarHBondContact OE1-NH2 3.05Å; E281-R305 IonicContact OE2-NH2 3.03Å; E281-R305 PolarHBondContact OE2-NH2 3.09Å; D302-R305 PolarHBondContact OD1-N 3.13Å; R305-W307 PolarHBondContact O-N 3.27Å; R305-A308 WeakPolarHBondContact O-CB 3.27Å; R305-A308 PolarHBondContact O-N 3.33Å; R305-W309 HydrophobicContact CB-CZ3 3.99Å
306	G	97.4	Very high	96.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-53.8	-32.9	-173.8	0	0	0	0	0	114.4	M299 I300 D302 A308 W309 T310	M299-G306 WeakPolarHBondContact O-CA 3.3Å; I300-G306 WeakPolarHBondContact O-CA 3.26Å; D302-G306 WeakPolarHBondContact O-CA 3.2Å; D302-G306 PolarHBondContact O-N 2.94Å; G306-A308 PolarHBondContact O-N 3.13Å; G306-A308 VanDerWaalsContact O-N 3.11Å; G306-W309 PolarHBondContact O-N 2.79Å; G306-W309 VanDerWaalsContact O-N 3.07Å; G306-T310 PolarHBondContact O-N 2.95Å; G306-T310 VanDerWaalsContact O-N 3.12Å; G306-T310 PolarHBondContact O-OG1 2.95Å
307	W	97.3	Very high	97	Very high	73 Å²	73	24.7 Å²	24.7	28%	0.277	12%	0.119	S	C	.	.	H	α-helix	trans	-52.2	-31.5	174	73.3	-94.9	0	0	0	114.6	E281 S304 R305 T310 R311 G513 H515	E281-W307 HydrophobicContact CG-CH2 4.38Å; E281-W307 HydrophobicContact CG-CZ2 4.24Å; S304-W307 PolarHBondContact O-NE1 2.87Å; R305-W307 PolarHBondContact O-N 3.27Å; W307-T310 PolarHBondContact O-N 3.06Å; W307-R311 VanDerWaalsContact O-CB 3.28Å; W307-R311 WeakPolarHBondContact O-CB 3.49Å; W307-R311 PolarHBondContact O-N 3.27Å; W307-G513 VanDerWaalsContact CA-O 3.29Å; W307-G513 WeakPolarHBondContact CA-O 3.4Å; W307-H515 HydrophobicContact CB-CB 3.62Å; W307-H515 HydrophobicContact CD2-CB 3.93Å; W307-H515 HydrophobicContact CG-CB 3.48Å; W307-H515 VanDerWaalsContact CG-CB 3.48Å
308	A	98.1	Very high	97	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-71.3	-38	-179.8	0	0	0	0	0	111.7	I280 E281 R305 G306 A312	I280-A308 HydrophobicContact CG2-CB 3.95Å; E281-A308 HydrophobicContact CG-CB 3.95Å; R305-A308 WeakPolarHBondContact O-CB 3.27Å; R305-A308 PolarHBondContact O-N 3.33Å; G306-A308 PolarHBondContact O-N 3.13Å; G306-A308 VanDerWaalsContact O-N 3.11Å; A308-A312 WeakPolarHBondContact O-CB 3.3Å; A308-A312 PolarHBondContact O-N 2.93Å
309	W	98.7	Very high	97.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-68.2	-42.9	172.5	-81	-93.8	0	0	0	111.7	P236 I280 D295 E296 I297 M299 I300 R305 G306 R311 A312 L313	P236-W309 HydrophobicContact CB-CH2 3.94Å; P236-W309 HydrophobicContact CB-CZ2 3.7Å; I280-W309 HydrophobicContact CD1-CB 4.14Å; I280-W309 VanDerWaalsContact CD1-CD1 3.43Å; I280-W309 HydrophobicContact CD1-CD2 3.63Å; I280-W309 HydrophobicContact CD1-CE3 4.4Å; I280-W309 HydrophobicContact CD1-CG 3.51Å; I280-W309 HydrophobicContact CD1-CZ2 4.26Å; I280-W309 HydrophobicContact CG2-CD2 4.29Å; I280-W309 HydrophobicContact CG2-CE3 4.15Å; I280-W309 HydrophobicContact CG2-CH2 3.66Å; I280-W309 HydrophobicContact CG2-CZ2 3.79Å; I280-W309 HydrophobicContact CG2-CZ3 3.84Å; D295-W309 PolarHBondContact O-NE1 3.11Å; E296-W309 PolarHBondContact O-NE1 3.41Å; I297-W309 HydrophobicContact CD1-CB 4.47Å; M299-W309 HydrophobicContact CB-CD2 3.58Å; M299-W309 VanDerWaalsContact CB-CE2 3.45Å; M299-W309 HydrophobicContact CB-CE3 3.75Å; M299-W309 HydrophobicContact CB-CG 4.32Å; M299-W309 HydrophobicContact CB-CH2 3.74Å; M299-W309 HydrophobicContact CB-CZ2 3.56Å; M299-W309 HydrophobicContact CB-CZ3 3.83Å; M299-W309 HydrophobicContact CE-CH2 4.48Å; M299-W309 HydrophobicContact CG-CH2 4.14Å; M299-W309 HydrophobicContact CG-CZ2 3.94Å; I300-W309 HydrophobicContact CB-CB 3.75Å; I300-W309 HydrophobicContact CB-CG 4.49Å; I300-W309 HydrophobicContact CD1-CB 4.41Å; I300-W309 HydrophobicContact CG1-CB 3.86Å; R305-W309 HydrophobicContact CB-CZ3 3.99Å; G306-W309 PolarHBondContact O-N 2.79Å; G306-W309 VanDerWaalsContact O-N 3.07Å; W309-R311 PolarHBondContact O-N 2.79Å; W309-A312 PolarHBondContact O-N 2.99Å; W309-L313 VanDerWaalsContact O-CB 3.29Å; W309-L313 WeakPolarHBondContact O-CB 3.45Å; W309-L313 PolarHBondContact O-N 3.18Å
310	T	98.4	Very high	97.3	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	15%	0.147	C	C	.	.	H	α-helix	trans	-59.9	-46	175.5	-46.8	0	0	0	0	111.3	I300 G306 W307 L314 A512 G513 L514 Y550	I300-T310 WeakPolarHBondContact CG1-OG1 3.49Å; G306-T310 PolarHBondContact O-N 2.95Å; G306-T310 VanDerWaalsContact O-N 3.12Å; G306-T310 PolarHBondContact O-OG1 2.95Å; W307-T310 PolarHBondContact O-N 3.06Å; T310-L314 HydrophobicContact CG2-CD1 3.83Å; T310-L314 HydrophobicContact CG2-CG 4.39Å; T310-L314 WeakPolarHBondContact O-CB 3.4Å; T310-L314 WeakPolarHBondContact O-CG 3.44Å; T310-L314 PolarHBondContact O-N 3.27Å; T310-A512 HydrophobicContact CG2-CB 4.18Å; T310-G513 WeakPolarHBondContact CB-O 3.35Å; T310-G513 PolarHBondContact OG1-O 3.31Å; T310-L514 HydrophobicContact CG2-CD2 3.8Å; T310-Y550 HydrophobicContact CG2-CD1 4.25Å; T310-Y550 HydrophobicContact CG2-CE1 3.93Å
311	R	98.2	Very high	97.3	Very high	58 Å²	58	30.7 Å²	30.7	22%	0.219	15%	0.147	C	C	.	.	H	α-helix	trans	-60.5	-45.6	175.2	174.4	177	173.7	-78.7	1	112.3	Y196 C283 V285 W307 W309 G315	Y196-R311 HydrophobicContact CE1-CG 4.08Å; C283-R311 PolarHBondContact O-NH1 3.27Å; C283-R311 PolarHBondContact O-NH2 3.08Å; C283-R311 PolarHBondContact SG-NH1 2.94Å; V285-R311 HydrophobicContact CG1-CG 4.07Å; W307-R311 VanDerWaalsContact O-CB 3.28Å; W307-R311 WeakPolarHBondContact O-CB 3.49Å; W307-R311 PolarHBondContact O-N 3.27Å; W309-R311 PolarHBondContact O-N 2.79Å; R311-G315 VanDerWaalsContact O-CA 3.3Å; R311-G315 WeakPolarHBondContact O-CA 3.36Å; R311-G315 PolarHBondContact O-N 2.75Å
312	A	98.4	Very high	97.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.9	-49.5	179.6	0	0	0	0	0	111.3	I280 I294 A308 W309 G315 L316	I280-A312 HydrophobicContact CD1-CB 3.85Å; I280-A312 HydrophobicContact CG1-CB 3.82Å; I294-A312 HydrophobicContact CD1-CB 3.89Å; I294-A312 HydrophobicContact CG1-CB 4.4Å; A308-A312 WeakPolarHBondContact O-CB 3.3Å; A308-A312 PolarHBondContact O-N 2.93Å; W309-A312 PolarHBondContact O-N 2.99Å; A312-G315 PolarHBondContact O-N 3.03Å; A312-L316 HydrophobicContact CB-CD1 4.06Å; A312-L316 HydrophobicContact CB-CG 4.37Å; A312-L316 VanDerWaalsContact O-CB 3.26Å; A312-L316 WeakPolarHBondContact O-CB 3.41Å; A312-L316 WeakPolarHBondContact O-CG 3.36Å; A312-L316 PolarHBondContact O-N 2.77Å
313	L	98.5	Very high	97.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.9	-48.3	-178.8	-179.7	66.6	0	0	0	112.3	R204 I294 I300 W309 V323 I333 L336 M337	R204-L313 PolarHBondContact NH1-O 2.82Å; R204-L313 PolarHBondContact NH2-O 3.01Å; I294-L313 HydrophobicContact CD1-CB 4.18Å; I294-L313 HydrophobicContact CD1-CD1 4.46Å; I300-L313 HydrophobicContact CD1-CD2 4.08Å; W309-L313 VanDerWaalsContact O-CB 3.29Å; W309-L313 WeakPolarHBondContact O-CB 3.45Å; W309-L313 PolarHBondContact O-N 3.18Å; L313-V323 HydrophobicContact CD1-CG1 4Å; L313-I333 HydrophobicContact CD2-CD1 3.45Å; L313-I333 VanDerWaalsContact CD2-CD1 3.45Å; L313-L336 HydrophobicContact CD2-CD2 3.59Å; L313-M337 HydrophobicContact CD1-CE 4.33Å; L313-M337 HydrophobicContact CD1-SD 4.13Å; L313-M337 HydrophobicContact CD2-CE 3.8Å; L313-M337 HydrophobicContact CG-CE 3.85Å; L313-M337 HydrophobicContact CG-SD 4.27Å
314	L	98	Very high	97.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-77.7	-27.1	-178.3	-62.2	-177.5	0	0	0	113.2	P192 P193 Y196 R200 T310 L336 M337 T340 Y550	P192-L314 HydrophobicContact CB-CD1 3.83Å; P193-L314 HydrophobicContact CG-CD1 4.23Å; P193-L314 HydrophobicContact CG-CD2 4.12Å; Y196-L314 HydrophobicContact CD2-CB 3.68Å; Y196-L314 HydrophobicContact CE2-CB 3.72Å; R200-L314 PolarHBondContact NH1-O 3.17Å; R200-L314 PolarHBondContact NH2-O 3.04Å; T310-L314 HydrophobicContact CG2-CD1 3.83Å; T310-L314 HydrophobicContact CG2-CG 4.39Å; T310-L314 WeakPolarHBondContact O-CB 3.4Å; T310-L314 WeakPolarHBondContact O-CG 3.44Å; T310-L314 PolarHBondContact O-N 3.27Å; L314-L336 HydrophobicContact CD2-CG 4.39Å; L314-M337 HydrophobicContact CD2-CE 3.8Å; L314-T340 HydrophobicContact CD2-CG2 3.99Å; L314-Y550 HydrophobicContact CD1-CE1 4.37Å
315	G	97.8	Very high	98	Very high	0 Å²	0	19 Å²	19	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-112.3	-15	-167.7	0	0	0	0	0	117.6	V285 R311 A312 C317	V285-G315 WeakPolarHBondContact CA-O 3.45Å; V285-G315 VanDerWaalsContact CB-O 3.23Å; V285-G315 WeakPolarHBondContact CB-O 3.29Å; R311-G315 VanDerWaalsContact O-CA 3.3Å; R311-G315 WeakPolarHBondContact O-CA 3.36Å; R311-G315 PolarHBondContact O-N 2.75Å; A312-G315 PolarHBondContact O-N 3.03Å; G315-C317 PolarHBondContact O-N 2.87Å
316	L	98.6	Very high	97.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.075	C	C	.	.			trans	-64.8	124	177.8	-76.5	174.1	0	0	0	111.3	R204 V232 C283 S284 A292 I294 A312 A318	R204-L316 WeakPolarHBondContact CD-O 3.4Å; R204-L316 PolarHBondContact NH1-O 2.93Å; V232-L316 HydrophobicContact CG1-CD1 4.28Å; V232-L316 HydrophobicContact CG1-CD2 4.02Å; C283-L316 HydrophobicContact CB-CD2 4.12Å; S284-L316 VanDerWaalsContact O-CD2 3.31Å; S284-L316 WeakPolarHBondContact O-CD2 3.29Å; A292-L316 HydrophobicContact CB-CB 4.47Å; A292-L316 HydrophobicContact CB-CD1 3.8Å; I294-L316 HydrophobicContact CD1-CD1 4.17Å; I294-L316 HydrophobicContact CG1-CD1 4.16Å; A312-L316 HydrophobicContact CB-CD1 4.06Å; A312-L316 HydrophobicContact CB-CG 4.37Å; A312-L316 VanDerWaalsContact O-CB 3.26Å; A312-L316 WeakPolarHBondContact O-CB 3.41Å; A312-L316 WeakPolarHBondContact O-CG 3.36Å; A312-L316 PolarHBondContact O-N 2.77Å; L316-A318 PolarHBondContact O-N 3.08Å
317	C	98.1	Very high	97.7	Very high	11 Å²	11	19.9 Å²	19.9	7%	0.074	10%	0.099	C	C	.	.			trans	-81.2	67.5	175.3	-69.5	0	0	0	0	110.7	E198 A199 I202 V285 P288 Y289 G315	E198-C317 WeakPolarHBondContact CB-SG 3.28Å; A199-C317 PolarHBondContact N-SG 3.3Å; I202-C317 HydrophobicContact CD1-CB 4.2Å; V285-C317 PolarHBondContact O-SG 2.75Å; P288-C317 CarbonylContact C-O 3.47Å; P288-C317 WeakPolarHBondContact CA-O 3.35Å; Y289-C317 PolarHBondContact N-O 3Å; G315-C317 PolarHBondContact O-N 2.87Å
318	A	98.4	Very high	97.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	143.1	179	0	0	0	0	0	112.5	R204 Y289 A292 L316 I321	R204-A318 WeakPolarHBondContact CG-O 3.29Å; Y289-A318 VanDerWaalsContact O-CA 3.29Å; Y289-A318 WeakPolarHBondContact O-CA 3.37Å; A292-A318 HydrophobicContact CB-CB 3.6Å; L316-A318 PolarHBondContact O-N 3.08Å; A318-I321 HydrophobicContact CB-CG1 4.05Å
319	E	98.3	Very high	97.4	Very high	125 Å²	125	17.3 Å²	17.3	58%	0.584	9%	0.094	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	-47.8	175.2	-59.9	177.6	-166.7	0	0	110.5	K205 Y289 E290	K205-E319 PolarHBondContact N-O 2.81Å; Y289-E319 PolarHBondContact O-N 2.7Å; E290-E319 PolarHBondContact O-N 3.48Å
320	E	98.5	Very high	97.3	Very high	52 Å²	52	18 Å²	18	24%	0.243	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	125.9	173.7	-66.8	-178.6	144.1	0	0	111.6	K205 I207 R224 E290 V291 A292 H322	K205-E320 CarbonylContact O-C 3.55Å; K205-E320 WeakPolarHBondContact O-CA 3.23Å; I207-E320 HydrophobicContact CD1-CB 4.46Å; I207-E320 HydrophobicContact CD1-CG 4.39Å; R224-E320 IonicContact CZ-OE2 3.94Å; R224-E320 IonicContact NE-OE2 2.86Å; R224-E320 PolarHBondContact NE-OE2 3.48Å; R224-E320 IonicContact NH2-OE2 2.96Å; R224-E320 PolarHBondContact NH2-OE2 3.31Å; E290-E320 PolarHBondContact O-N 2.84Å; E290-E320 VanDerWaalsContact O-N 3.09Å; V291-E320 WeakPolarHBondContact CA-O 3.21Å; V291-E320 HydrophobicContact CG2-CB 4.49Å; A292-E320 PolarHBondContact N-O 3.35Å; E320-H322 IonicContact OE2-NE2 2.67Å
321	I	98.7	Very high	97.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	101.6	177.6	-57.2	175.8	0	0	0	109.2	R204 K205 V206 I207 A292 I294 A318 V323	R204-I321 HydrophobicContact CB-CD1 4.36Å; R204-I321 VanDerWaalsContact CZ-CD1 3.41Å; K205-I321 PolarHBondContact O-N 2.96Å; V206-I321 CarbonylContact C-O 3.59Å; V206-I321 WeakPolarHBondContact CA-O 3.4Å; V206-I321 HydrophobicContact CG2-CB 4.39Å; I207-I321 PolarHBondContact N-O 3.01Å; A292-I321 HydrophobicContact CB-CG1 4.31Å; A292-I321 HydrophobicContact CB-CG2 4.5Å; I294-I321 HydrophobicContact CD1-CG2 3.99Å; I294-I321 HydrophobicContact CG1-CG2 4.44Å; A318-I321 HydrophobicContact CB-CG1 4.05Å; I321-V323 HydrophobicContact CG2-CG1 4.06Å
322	H	98.8	Very high	97.2	Very high	8 Å²	8	21.1 Å²	21.1	4%	0.037	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	112.1	177.1	-65.7	-99.5	0	0	0	110.1	I207 H209 A221 R224 A292 V293 I294 E320	I207-H322 VanDerWaalsContact CD1-CE1 3.45Å; I207-H322 WeakPolarHBondContact CD1-CE1 3.34Å; I207-H322 CarbonylContact O-C 3.53Å; I207-H322 WeakPolarHBondContact O-CA 3.19Å; H209-H322 AromaticContact CD2-ND1 3.86Å; H209-H322 AromaticContact CE1-ND1 3.81Å; H209-H322 AromaticContact NE2-CE1 3.9Å; H209-H322 AromaticContact NE2-CG 3.72Å; H209-H322 AromaticContact NE2-ND1 2.86Å; H209-H322 PolarHBondContact NE2-ND1 2.92Å; A221-H322 HydrophobicContact CB-CB 3.88Å; R224-H322 VanDerWaalsContact CG-NE2 3.35Å; R224-H322 WeakPolarHBondContact CG-NE2 3.4Å; A292-H322 PolarHBondContact O-N 2.97Å; V293-H322 CarbonylContact C-O 3.54Å; V293-H322 VanDerWaalsContact CA-O 3.31Å; V293-H322 WeakPolarHBondContact CA-O 3.28Å; V293-H322 HydrophobicContact CG2-CB 4.23Å; I294-H322 PolarHBondContact N-O 3.38Å; E320-H322 IonicContact OE2-NE2 2.67Å
323	V	98.4	Very high	97.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	129	175.5	-56.6	0	0	0	0	110	V206 I207 F208 H209 I294 I297 L313 I321	V206-V323 HydrophobicContact CG1-CG1 4.25Å; V206-V323 HydrophobicContact CG1-CG2 4.1Å; I207-V323 PolarHBondContact O-N 2.89Å; F208-V323 HydrophobicContact CB-CG2 3.75Å; F208-V323 HydrophobicContact CD1-CG2 4.27Å; F208-V323 HydrophobicContact CD2-CG2 3.46Å; F208-V323 VanDerWaalsContact CD2-CG2 3.46Å; F208-V323 HydrophobicContact CE2-CG2 4.07Å; F208-V323 HydrophobicContact CG-CG2 3.56Å; H209-V323 PolarHBondContact N-O 3.44Å; I294-V323 HydrophobicContact CB-CG1 4.28Å; I294-V323 HydrophobicContact CD1-CG1 4.31Å; I294-V323 WeakPolarHBondContact O-CA 3.09Å; I297-V323 HydrophobicContact CB-CB 4.16Å; I297-V323 HydrophobicContact CD1-CG1 4.5Å; I297-V323 HydrophobicContact CG1-CB 4.16Å; I297-V323 HydrophobicContact CG1-CG1 4.43Å; I297-V323 HydrophobicContact CG2-CB 4.25Å; I297-V323 HydrophobicContact CG2-CG2 4.5Å; L313-V323 HydrophobicContact CD1-CG1 4Å; I321-V323 HydrophobicContact CG2-CG1 4.06Å
324	C	97.9	Very high	97.1	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	126.8	180	-64	0	0	0	0	109.8	K217 I294 D295 E296 I297	K217-C324 HydrophobicContact CD-CB 4.42Å; I294-C324 PolarHBondContact O-N 3.28Å; D295-C324 WeakPolarHBondContact OD1-CB 3.38Å; E296-C324 CarbonylContact C-O 3.48Å; E296-C324 VanDerWaalsContact CA-O 3.32Å; E296-C324 WeakPolarHBondContact CA-O 3.25Å; E296-C324 PolarHBondContact N-O 2.94Å; I297-C324 PolarHBondContact N-O 2.92Å
325	G	94.9	Very high	96.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.8	-171.4	-177.6	0	0	0	0	0	116.1	H209 G211 K217	H209-G325 PolarHBondContact O-N 3.18Å; G211-G325 PolarHBondContact N-O 2.91Å; G211-G325 VanDerWaalsContact N-O 3.1Å; K217-G325 WeakPolarHBondContact CD-O 3.47Å; K217-G325 VanDerWaalsContact NZ-C 3.26Å; K217-G325 PolarHBondContact NZ-O 3.08Å
326	E	93.1	Very high	96.8	Very high	27 Å²	27	30.2 Å²	30.2	13%	0.126	16%	0.161	C	C	.	.			trans	-79.2	156.5	170.5	64.2	-176.4	-177.8	0	0	111.8	Q298 R301 A328 A329 S466	Q298-E326 HydrophobicContact CB-CG 3.7Å; Q298-E326 WeakPolarHBondContact CB-OE1 3.1Å; Q298-E326 HydrophobicContact CG-CG 3.75Å; Q298-E326 WeakPolarHBondContact CG-OE1 3.49Å; R301-E326 IonicContact CZ-OE1 3.26Å; R301-E326 IonicContact NH2-OE1 2.75Å; R301-E326 PolarHBondContact NH2-OE1 3.34Å; E326-A328 HydrophobicContact CG-CB 4.16Å; E326-A328 PolarHBondContact O-N 3.39Å; E326-A329 PolarHBondContact O-N 2.82Å; E326-S466 PolarHBondContact OE2-OG 3.18Å
327	A	93.7	Very high	96.8	Very high	63 Å²	63	30.2 Å²	30.2	52%	0.521	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-63.4	-25.7	-177.1	0	0	0	0	0	113.6	S210 A329 V330	S210-A327 WeakPolarHBondContact OG-CA 3.41Å; A327-A329 PolarHBondContact O-N 3Å; A327-A329 VanDerWaalsContact O-N 3.08Å; A327-V330 WeakPolarHBondContact O-CB 3.44Å; A327-V330 WeakPolarHBondContact O-CG2 3.42Å; A327-V330 PolarHBondContact O-N 3.36Å
328	A	93.8	Very high	96.6	Very high	19 Å²	19	39.2 Å²	39.2	16%	0.157	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-61.3	-15.3	178.7	0	0	0	0	0	114.3	E326 V506 P508 V509	E326-A328 HydrophobicContact CG-CB 4.16Å; E326-A328 PolarHBondContact O-N 3.39Å; A328-V506 HydrophobicContact CB-CB 4.21Å; A328-V506 HydrophobicContact CB-CG1 3.77Å; A328-P508 WeakPolarHBondContact O-CA 3.43Å; A328-V509 PolarHBondContact O-N 3.46Å
329	A	96.4	Very high	96.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-96.6	-5.8	176.1	0	0	0	0	0	114.1	F208 I297 Q298 E326 A327 I333 V509	F208-A329 HydrophobicContact CE2-CB 4.25Å; F208-A329 HydrophobicContact CZ-CB 4Å; I297-A329 HydrophobicContact CG2-CB 4.47Å; Q298-A329 HydrophobicContact CB-CB 4.26Å; E326-A329 PolarHBondContact O-N 2.82Å; A327-A329 PolarHBondContact O-N 3Å; A327-A329 VanDerWaalsContact O-N 3.08Å; A329-I333 WeakPolarHBondContact O-CB 3.36Å; A329-I333 WeakPolarHBondContact O-CG1 3.45Å; A329-I333 PolarHBondContact O-N 2.99Å; A329-V509 HydrophobicContact CB-CB 4.43Å; A329-V509 HydrophobicContact CB-CG2 3.78Å
330	V	96.6	Very high	96.3	Very high	14 Å²	14	38 Å²	38	9%	0.085	20%	0.196	C	C	.	.	H	α-helix	trans	-63.8	-56.5	-173.4	173.7	0	0	0	0	111.9	F208 A327 F332 I333 Q334 V346	F208-V330 HydrophobicContact CD1-CG2 3.91Å; F208-V330 HydrophobicContact CD2-CG2 4.23Å; F208-V330 HydrophobicContact CE1-CG2 3.67Å; F208-V330 HydrophobicContact CE2-CB 4.41Å; F208-V330 HydrophobicContact CE2-CG2 3.97Å; F208-V330 HydrophobicContact CG-CG2 4.22Å; F208-V330 HydrophobicContact CZ-CG2 3.7Å; A327-V330 WeakPolarHBondContact O-CB 3.44Å; A327-V330 WeakPolarHBondContact O-CG2 3.42Å; A327-V330 PolarHBondContact O-N 3.36Å; V330-F332 VanDerWaalsContact C-N 3.3Å; V330-F332 PolarHBondContact O-N 2.97Å; V330-I333 PolarHBondContact O-N 3.24Å; V330-Q334 WeakPolarHBondContact O-CG 3.45Å; V330-Q334 PolarHBondContact O-N 3.34Å; V330-V346 HydrophobicContact CG1-CG1 4.09Å; V330-V346 HydrophobicContact CG1-CG2 3.88Å; V330-V346 HydrophobicContact CG2-CG1 4.38Å
331	D	96.4	Very high	96.2	Very high	118 Å²	118	38.9 Å²	38.9	63%	0.631	22%	0.219	S	C	*	.	H	α-helix	trans	-60.2	-42	-174.9	-59.1	-17.5	0	0	0	111.3	Q334 E335	D331-Q334 WeakPolarHBondContact O-CB 3.3Å; D331-Q334 PolarHBondContact O-N 3.15Å; D331-E335 PolarHBondContact O-N 3.33Å
332	F	97.1	Very high	96.1	Very high	7 Å²	7	40 Å²	40	3%	0.031	22%	0.224	C	C	.	.	H	α-helix	trans	-64.1	-42.9	176.8	178.1	-102.1	0	0	0	113.3	I300 V330 Q334 E335 L336 V509 E510 A512 L549	I300-F332 HydrophobicContact CD1-CE1 4.41Å; I300-F332 HydrophobicContact CG2-CE1 4.26Å; V330-F332 VanDerWaalsContact C-N 3.3Å; V330-F332 PolarHBondContact O-N 2.97Å; F332-Q334 VanDerWaalsContact C-N 3.3Å; F332-Q334 PolarHBondContact O-N 3.34Å; F332-E335 PolarHBondContact O-N 2.67Å; F332-L336 HydrophobicContact CE1-CD2 4.03Å; F332-L336 HydrophobicContact CZ-CD2 4.35Å; F332-L336 VanDerWaalsContact O-CB 3.28Å; F332-L336 WeakPolarHBondContact O-CB 3.28Å; F332-L336 PolarHBondContact O-N 2.58Å; F332-V509 HydrophobicContact CB-CB 4.07Å; F332-V509 HydrophobicContact CB-CG1 4.2Å; F332-V509 VanDerWaalsContact CB-O 3.28Å; F332-V509 WeakPolarHBondContact CB-O 3.48Å; F332-V509 HydrophobicContact CD1-CB 4.25Å; F332-V509 HydrophobicContact CD1-CG1 3.51Å; F332-V509 HydrophobicContact CD2-CG1 4.39Å; F332-V509 HydrophobicContact CE1-CG1 3.99Å; F332-V509 HydrophobicContact CG-CB 4.18Å; F332-V509 HydrophobicContact CG-CG1 3.75Å; F332-E510 WeakPolarHBondContact CD2-O 3.24Å; F332-E510 VanDerWaalsContact CE2-C 3.48Å; F332-E510 WeakPolarHBondContact CE2-O 3.12Å; F332-A512 HydrophobicContact CE1-CB 3.86Å; F332-A512 HydrophobicContact CZ-CB 3.62Å; F332-L549 HydrophobicContact CE2-CB 4.22Å; F332-L549 HydrophobicContact CE2-CD2 4.33Å
333	I	97.8	Very high	96	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-67.5	-34.8	176.9	-66.1	-69.2	0	0	0	110.3	V206 F208 I297 I300 L313 A329 V330 L336 M337	V206-I333 HydrophobicContact CG1-CG2 4.48Å; F208-I333 HydrophobicContact CD2-CB 4.07Å; F208-I333 HydrophobicContact CD2-CG1 4.38Å; F208-I333 HydrophobicContact CD2-CG2 4.04Å; F208-I333 HydrophobicContact CE2-CB 3.98Å; F208-I333 HydrophobicContact CE2-CG1 3.86Å; F208-I333 HydrophobicContact CE2-CG2 4.37Å; I297-I333 HydrophobicContact CD1-CD1 4.17Å; I297-I333 HydrophobicContact CG1-CD1 3.84Å; I297-I333 HydrophobicContact CG1-CG1 4.22Å; I300-I333 HydrophobicContact CD1-CD1 4.33Å; L313-I333 HydrophobicContact CD2-CD1 3.45Å; L313-I333 VanDerWaalsContact CD2-CD1 3.45Å; A329-I333 WeakPolarHBondContact O-CB 3.36Å; A329-I333 WeakPolarHBondContact O-CG1 3.45Å; A329-I333 PolarHBondContact O-N 2.99Å; V330-I333 PolarHBondContact O-N 3.24Å; I333-L336 HydrophobicContact CD1-CD2 4.43Å; I333-L336 PolarHBondContact O-N 3.34Å; I333-M337 HydrophobicContact CG2-CG 4.27Å; I333-M337 WeakPolarHBondContact O-CB 3.12Å; I333-M337 VanDerWaalsContact O-CG 3.24Å; I333-M337 WeakPolarHBondContact O-CG 3.42Å; I333-M337 PolarHBondContact O-N 3.46Å
334	Q	97.1	Very high	96	Very high	81 Å²	81	46.1 Å²	46.1	38%	0.379	26%	0.255	S	S	.	.	H	α-helix	trans	-63.8	-44.1	172	-71.3	-178.1	-39.2	0	0	112.5	V330 D331 F332 M337 Y338 V344	V330-Q334 WeakPolarHBondContact O-CG 3.45Å; V330-Q334 PolarHBondContact O-N 3.34Å; D331-Q334 WeakPolarHBondContact O-CB 3.3Å; D331-Q334 PolarHBondContact O-N 3.15Å; F332-Q334 VanDerWaalsContact C-N 3.3Å; F332-Q334 PolarHBondContact O-N 3.34Å; Q334-M337 PolarHBondContact O-N 2.91Å; Q334-Y338 WeakPolarHBondContact O-CB 3.48Å; Q334-Y338 PolarHBondContact O-N 3.27Å; Q334-V344 HydrophobicContact CG-CB 4.14Å; Q334-V344 HydrophobicContact CG-CG1 3.91Å; Q334-V344 HydrophobicContact CG-CG2 4.49Å
335	E	95.4	Very high	96	Very high	110 Å²	110	49.6 Å²	49.6	51%	0.514	27%	0.271	S	S	.	.	H	α-helix	trans	-63.8	-41.6	174.9	-176.2	167.9	-160	0	0	111.9	D331 F332 Y338 T339 L549	D331-E335 PolarHBondContact O-N 3.33Å; F332-E335 PolarHBondContact O-N 2.67Å; E335-Y338 WeakPolarHBondContact O-CB 3.45Å; E335-Y338 PolarHBondContact O-N 2.95Å; E335-T339 PolarHBondContact O-N 3.11Å; E335-L549 HydrophobicContact CG-CD1 4Å; E335-L549 HydrophobicContact CG-CD2 4.12Å
336	L	95.6	Very high	96.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-64.6	-42.7	178.3	-170.3	61.5	0	0	0	112	I300 L313 L314 F332 I333 Y338 T339 Y550	I300-L336 HydrophobicContact CD1-CD2 4.18Å; L313-L336 HydrophobicContact CD2-CD2 3.59Å; L314-L336 HydrophobicContact CD2-CG 4.39Å; F332-L336 HydrophobicContact CE1-CD2 4.03Å; F332-L336 HydrophobicContact CZ-CD2 4.35Å; F332-L336 VanDerWaalsContact O-CB 3.28Å; F332-L336 WeakPolarHBondContact O-CB 3.28Å; F332-L336 PolarHBondContact O-N 2.58Å; I333-L336 HydrophobicContact CD1-CD2 4.43Å; I333-L336 PolarHBondContact O-N 3.34Å; L336-Y338 VanDerWaalsContact C-N 3.34Å; L336-T339 WeakPolarHBondContact O-CB 3.31Å; L336-T339 PolarHBondContact O-N 2.98Å; L336-T339 PolarHBondContact O-OG1 3.13Å; L336-Y550 HydrophobicContact CD1-CE1 3.84Å; L336-Y550 WeakPolarHBondContact CD1-OH 3.46Å
337	M	97.2	Very high	96.4	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-75.2	-21.6	176.8	-61.3	-56.3	85.8	0	0	113.1	V206 L313 L314 I333 Q334 T339 T340 G341 E342 V344	V206-M337 HydrophobicContact CG2-CG 3.95Å; V206-M337 HydrophobicContact CG2-SD 3.72Å; L313-M337 HydrophobicContact CD1-CE 4.33Å; L313-M337 HydrophobicContact CD1-SD 4.13Å; L313-M337 HydrophobicContact CD2-CE 3.8Å; L313-M337 HydrophobicContact CG-CE 3.85Å; L313-M337 HydrophobicContact CG-SD 4.27Å; L314-M337 HydrophobicContact CD2-CE 3.8Å; I333-M337 HydrophobicContact CG2-CG 4.27Å; I333-M337 WeakPolarHBondContact O-CB 3.12Å; I333-M337 VanDerWaalsContact O-CG 3.24Å; I333-M337 WeakPolarHBondContact O-CG 3.42Å; I333-M337 PolarHBondContact O-N 3.46Å; Q334-M337 PolarHBondContact O-N 2.91Å; M337-T339 PolarHBondContact O-N 3.2Å; M337-T340 WeakPolarHBondContact CA-OG1 3.06Å; M337-T340 HydrophobicContact CE-CG2 4.4Å; M337-T340 PolarHBondContact O-N 3.16Å; M337-T340 VanDerWaalsContact O-N 3.12Å; M337-T340 PolarHBondContact O-OG1 3.33Å; M337-G341 PolarHBondContact O-N 3.3Å; M337-E342 HydrophobicContact CB-CB 4.41Å; M337-E342 PolarHBondContact O-N 2.87Å; M337-E342 VanDerWaalsContact O-N 3.16Å; M337-E342 VanDerWaalsContact SD-OE2 3.4Å; M337-V344 HydrophobicContact CB-CG2 3.45Å; M337-V344 VanDerWaalsContact CB-CG2 3.45Å; M337-V344 HydrophobicContact CG-CG2 3.65Å
338	Y	95.4	Very high	96.6	Very high	200 Å²	200	56 Å²	56	78%	0.784	30%	0.302	S	S	*	.	H	α-helix	trans	-61.4	-31.2	167.4	-176.1	-92.3	0	0	0	111.7	Q334 E335 L336 T340	Q334-Y338 WeakPolarHBondContact O-CB 3.48Å; Q334-Y338 PolarHBondContact O-N 3.27Å; E335-Y338 WeakPolarHBondContact O-CB 3.45Å; E335-Y338 PolarHBondContact O-N 2.95Å; L336-Y338 VanDerWaalsContact C-N 3.34Å; Y338-T340 VanDerWaalsContact C-N 3.32Å; Y338-T340 PolarHBondContact O-N 3.35Å
339	T	94.1	Very high	96.6	Very high	73 Å²	73	56.9 Å²	56.9	45%	0.448	30%	0.301	S	S	.	.	H	α-helix	trans	-71.2	-24.8	174.2	77.3	0	0	0	0	113.7	E335 L336 M337 L549	E335-T339 PolarHBondContact O-N 3.11Å; L336-T339 WeakPolarHBondContact O-CB 3.31Å; L336-T339 PolarHBondContact O-N 2.98Å; L336-T339 PolarHBondContact O-OG1 3.13Å; M337-T339 PolarHBondContact O-N 3.2Å; T339-L549 HydrophobicContact CG2-CD1 4.1Å
340	T	95.3	Very high	96.4	Very high	25 Å²	25	65.7 Å²	65.7	15%	0.153	34%	0.34	C	S	.	.	H	α-helix	trans	-94.1	-15.7	178	60	0	0	0	0	113.2	P193 L314 M337 Y338 E342	P193-T340 HydrophobicContact CB-CG2 3.8Å; P193-T340 HydrophobicContact CG-CG2 3.75Å; L314-T340 HydrophobicContact CD2-CG2 3.99Å; M337-T340 WeakPolarHBondContact CA-OG1 3.06Å; M337-T340 HydrophobicContact CE-CG2 4.4Å; M337-T340 PolarHBondContact O-N 3.16Å; M337-T340 VanDerWaalsContact O-N 3.12Å; M337-T340 PolarHBondContact O-OG1 3.33Å; Y338-T340 VanDerWaalsContact C-N 3.32Å; Y338-T340 PolarHBondContact O-N 3.35Å; T340-E342 WeakPolarHBondContact CB-OE2 3.38Å; T340-E342 WeakPolarHBondContact OG1-CB 3.18Å; T340-E342 WeakPolarHBondContact OG1-CG 3.37Å; T340-E342 PolarHBondContact OG1-OE2 2.84Å
341	G	95.9	Very high	96.1	Very high	72 Å²	72	67.1 Å²	67.1	74%	0.742	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	21	-174.8	0	0	0	0	0	113.6	M337	M337-G341 PolarHBondContact O-N 3.3Å
342	E	96.9	Very high	95.8	Very high	22 Å²	22	65.7 Å²	65.7	10%	0.103	34%	0.335	C	S	.	.			trans	-95.8	141.1	-173.7	-67.9	162.9	164.2	0	0	111.5	R200 R204 M337 T340	R200-E342 IonicContact CZ-OE1 2.9Å; R200-E342 IonicContact NE-OE1 3.97Å; R200-E342 IonicContact NH2-OE1 2.8Å; R200-E342 PolarHBondContact NH2-OE1 2.76Å; R200-E342 IonicContact NH2-OE2 3.46Å; R204-E342 HydrophobicContact CB-CG 4.46Å; R204-E342 IonicContact CZ-OE1 2.73Å; R204-E342 VanDerWaalsContact CZ-OE1 3.28Å; R204-E342 IonicContact CZ-OE2 2.65Å; R204-E342 IonicContact NE-OE1 2.64Å; R204-E342 PolarHBondContact NE-OE1 3.22Å; R204-E342 IonicContact NE-OE2 3.84Å; R204-E342 VanDerWaalsContact NH2-CD 3.27Å; R204-E342 IonicContact NH2-OE1 2.72Å; R204-E342 PolarHBondContact NH2-OE1 2.83Å; R204-E342 IonicContact NH2-OE2 2.8Å; R204-E342 PolarHBondContact NH2-OE2 2.86Å; M337-E342 HydrophobicContact CB-CB 4.41Å; M337-E342 PolarHBondContact O-N 2.87Å; M337-E342 VanDerWaalsContact O-N 3.16Å; M337-E342 VanDerWaalsContact SD-OE2 3.4Å; T340-E342 WeakPolarHBondContact CB-OE2 3.38Å; T340-E342 WeakPolarHBondContact OG1-CB 3.18Å; T340-E342 WeakPolarHBondContact OG1-CG 3.37Å; T340-E342 PolarHBondContact OG1-OE2 2.84Å
343	E	96.9	Very high	95.3	Very high	106 Å²	106	66 Å²	66	50%	0.495	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	134.9	179.9	-174.4	-170.8	140.3	0	0	110.7	K205 V206	K205-E343 VanDerWaalsContact CE-OE1 3.28Å; K205-E343 WeakPolarHBondContact CE-OE1 3.35Å; K205-E343 HydrophobicContact CG-CB 4.44Å; K205-E343 IonicContact NZ-OE1 2.77Å; K205-E343 PolarHBondContact NZ-OE1 2.96Å; V206-E343 PolarHBondContact N-O 2.94Å
344	V	98.3	Very high	94.9	Very high	31 Å²	31	69.8 Å²	69.8	19%	0.188	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	111.3	174.2	-170.9	0	0	0	0	110.9	V206 Q334 M337 V346	V206-V344 HydrophobicContact CB-CG2 4.26Å; V206-V344 HydrophobicContact CG1-CG1 4.37Å; V206-V344 WeakPolarHBondContact O-CA 3.22Å; Q334-V344 HydrophobicContact CG-CB 4.14Å; Q334-V344 HydrophobicContact CG-CG1 3.91Å; Q334-V344 HydrophobicContact CG-CG2 4.49Å; M337-V344 HydrophobicContact CB-CG2 3.45Å; M337-V344 VanDerWaalsContact CB-CG2 3.45Å; M337-V344 HydrophobicContact CG-CG2 3.65Å; V344-V346 HydrophobicContact CG1-CG2 4.26Å
345	E	98.3	Very high	94.5	Very high	73 Å²	73	68.9 Å²	68.9	34%	0.341	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	128.8	170.8	-173	177.3	163.1	0	0	109.9	K205 V206 I207 F208 H347	K205-E345 WeakPolarHBondContact CE-OE2 3.2Å; K205-E345 IonicContact NZ-OE2 2.66Å; K205-E345 PolarHBondContact NZ-OE2 2.81Å; V206-E345 PolarHBondContact O-N 3.23Å; I207-E345 CarbonylContact C-O 3.55Å; I207-E345 WeakPolarHBondContact CA-O 3.24Å; F208-E345 PolarHBondContact N-O 3.16Å; E345-H347 IonicContact OE1-CD2 2.67Å; E345-H347 IonicContact OE1-CE1 3.41Å; E345-H347 IonicContact OE1-NE2 3.33Å; E345-H347 PolarHBondContact OE1-NE2 3.2Å
346	V	98.2	Very high	94.4	Very high	48 Å²	48	66.7 Å²	66.7	29%	0.291	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	117	-177.2	-174.7	0	0	0	0	110.9	F208 V330 V344	F208-V346 HydrophobicContact CB-CG2 4.3Å; V330-V346 HydrophobicContact CG1-CG1 4.09Å; V330-V346 HydrophobicContact CG1-CG2 3.88Å; V330-V346 HydrophobicContact CG2-CG1 4.38Å; V344-V346 HydrophobicContact CG1-CG2 4.26Å
347	H	97.9	Very high	94.5	Very high	62 Å²	62	68.6 Å²	68.6	29%	0.287	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	116	172.7	-67.9	178	0	0	0	109.6	F208 H209 S210 E345 Y349	F208-H347 PolarHBondContact O-N 3.17Å; H209-H347 AromaticContact CE1-ND1 3.73Å; H209-H347 AromaticContact ND1-ND1 3.86Å; S210-H347 PolarHBondContact N-O 2.85Å; E345-H347 IonicContact OE1-CD2 2.67Å; E345-H347 IonicContact OE1-CE1 3.41Å; E345-H347 IonicContact OE1-NE2 3.33Å; E345-H347 PolarHBondContact OE1-NE2 3.2Å; H347-Y349 HydrophobicContact CB-CD2 4.5Å; H347-Y349 HydrophobicContact CB-CE2 3.6Å; H347-Y349 WeakPolarHBondContact O-CD2 3.26Å; H347-Y349 WeakPolarHBondContact O-CE2 3.19Å
348	T	97.1	Very high	94.4	Very high	115 Å²	115	70.5 Å²	70.5	71%	0.706	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	123.9	179.9	-50.9	0	0	0	0	112	S210	S210-T348 CarbonylContact O-C 3.55Å; S210-T348 WeakPolarHBondContact O-CA 3.42Å
349	Y	95.3	Very high	94.4	Very high	38 Å²	38	66.7 Å²	66.7	15%	0.149	37%	0.369	C	S	.	.			trans	-109.5	133.3	179.4	-62.7	-91.9	0	0	0	111.1	H209 S210 G211 P212 K217 H220 H347	H209-Y349 HydrophobicContact CB-CD2 4.19Å; H209-Y349 HydrophobicContact CB-CE2 3.62Å; H209-Y349 AromaticContact CG-CE2 3.92Å; H209-Y349 AromaticContact ND1-CE2 3.44Å; H209-Y349 WeakPolarHBondContact ND1-CE2 3.25Å; H209-Y349 AromaticContact ND1-CZ 3.57Å; H209-Y349 PolarHBondContact ND1-OH 2.84Å; S210-Y349 PolarHBondContact O-N 3.07Å; G211-Y349 WeakPolarHBondContact CA-O 3.12Å; P212-Y349 WeakPolarHBondContact CD-O 3.48Å; K217-Y349 HydrophobicContact CB-CD2 3.8Å; K217-Y349 HydrophobicContact CB-CE2 4.28Å; K217-Y349 HydrophobicContact CB-CG 4.09Å; H220-Y349 AromaticContact CD2-CE1 3.41Å; H220-Y349 VanDerWaalsContact CD2-CE1 3.41Å; H220-Y349 WeakPolarHBondContact CD2-CE1 3.21Å; H220-Y349 AromaticContact NE2-CE1 3.9Å; H347-Y349 HydrophobicContact CB-CD2 4.5Å; H347-Y349 HydrophobicContact CB-CE2 3.6Å; H347-Y349 WeakPolarHBondContact O-CD2 3.26Å; H347-Y349 WeakPolarHBondContact O-CE2 3.19Å
350	K	92.6	Very high	94.5	Very high	185 Å²	185	70.4 Å²	70.4	80%	0.804	38%	0.381	S	S	*	.			trans	-90.1	159.3	169.4	-65.9	-176.5	-180	-179.9	0	110	S215 L352	S215-K350 VanDerWaalsContact CA-O 3.3Å; S215-K350 WeakPolarHBondContact CA-O 3.08Å; S215-K350 VanDerWaalsContact CB-O 3.29Å; S215-K350 WeakPolarHBondContact CB-O 3.46Å; K350-L352 PolarHBondContact O-N 2.94Å
351	R	89.4	Confident	94.6	Very high	44 Å²	44	69.8 Å²	69.8	17%	0.166	38%	0.378	C	S	.	.			trans	-62.9	134.9	176.1	-156.5	177.6	-176.5	-102.9	2.6	110	P212 N214 T353 P354 G473 A475	P212-R351 HydrophobicContact CG-CB 4.01Å; P212-R351 HydrophobicContact CG-CG 4.49Å; N214-R351 HydrophobicContact CB-CG 4.43Å; N214-R351 WeakPolarHBondContact O-CG 3.41Å; R351-T353 VanDerWaalsContact C-N 3.27Å; R351-T353 WeakPolarHBondContact CD-O 3.24Å; R351-T353 WeakPolarHBondContact CG-O 3.43Å; R351-T353 PolarHBondContact NH1-O 3.43Å; R351-T353 PolarHBondContact NH1-OG1 2.77Å; R351-T353 PolarHBondContact O-N 2.98Å; R351-P354 VanDerWaalsContact NH1-C 3.27Å; R351-P354 PolarHBondContact NH1-O 3.26Å; R351-P354 VanDerWaalsContact NH1-O 3.09Å; R351-G473 PolarHBondContact NH2-O 2.75Å; R351-A475 PolarHBondContact NH2-O 3.26Å
352	L	89.3	Confident	94.6	Very high	88 Å²	88	66.4 Å²	66.4	46%	0.461	34%	0.343	S	S	.	.	S	Bend	trans	-70.2	-24.2	-175.6	-66.3	172.1	0	0	0	113.4	N214 K350 F478	N214-L352 PolarHBondContact O-N 2.89Å; K350-L352 PolarHBondContact O-N 2.94Å; L352-F478 HydrophobicContact CB-CB 3.88Å; L352-F478 HydrophobicContact CB-CD2 4.08Å; L352-F478 HydrophobicContact CB-CG 4.2Å; L352-F478 HydrophobicContact CD1-CB 3.65Å; L352-F478 HydrophobicContact CD1-CD1 4.23Å; L352-F478 HydrophobicContact CD1-CD2 4.38Å; L352-F478 HydrophobicContact CD1-CG 3.84Å; L352-F478 HydrophobicContact CG-CB 4.42Å
353	T	87.7	Confident	94.5	Very high	13 Å²	13	70.7 Å²	70.7	8%	0.08	36%	0.363	C	S	.	.	S	Bend	trans	-137.4	149.4	177.9	48.6	0	0	0	0	108.4	N214 R351 G476 K483	N214-T353 PolarHBondContact ND2-OG1 3.5Å; R351-T353 VanDerWaalsContact C-N 3.27Å; R351-T353 WeakPolarHBondContact CD-O 3.24Å; R351-T353 WeakPolarHBondContact CG-O 3.43Å; R351-T353 PolarHBondContact NH1-O 3.43Å; R351-T353 PolarHBondContact NH1-OG1 2.77Å; R351-T353 PolarHBondContact O-N 2.98Å; T353-G476 PolarHBondContact OG1-O 2.68Å; T353-K483 VanDerWaalsContact CB-O 3.31Å; T353-K483 WeakPolarHBondContact CB-O 3.41Å; T353-K483 VanDerWaalsContact CG2-O 3.24Å; T353-K483 WeakPolarHBondContact CG2-O 3.31Å
354	P	87.8	Confident	94.3	Very high	80 Å²	80	67.9 Å²	67.9	52%	0.519	35%	0.353	S	S	.	.			trans	-76.7	163.8	172.7	32.6	-34.2	0	0	0	111.5	R351 E484 G485	R351-P354 VanDerWaalsContact NH1-C 3.27Å; R351-P354 PolarHBondContact NH1-O 3.26Å; R351-P354 VanDerWaalsContact NH1-O 3.09Å; P354-E484 HydrophobicContact CG-CG 4.2Å; P354-G485 PolarHBondContact O-N 3.4Å; P354-G485 VanDerWaalsContact O-N 3.15Å
355	F	90.1	Very high	94.1	Very high	62 Å²	62	66.8 Å²	66.8	27%	0.272	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	152	158	76.5	-93.6	0	0	0	109.2	V357 A472 G485 V487	F355-V357 HydrophobicContact CE2-CG2 4.41Å; F355-A472 HydrophobicContact CE2-CB 4.18Å; F355-A472 HydrophobicContact CZ-CB 4.16Å; F355-G485 CarbonylContact C-O 3.35Å; F355-G485 WeakPolarHBondContact CA-O 3.48Å; F355-G485 VanDerWaalsContact CB-O 3.31Å; F355-G485 WeakPolarHBondContact CB-O 3.39Å; F355-V487 HydrophobicContact CD2-CB 4.23Å; F355-V487 HydrophobicContact CD2-CG2 3.4Å; F355-V487 HydrophobicContact CE2-CB 4.43Å; F355-V487 HydrophobicContact CE2-CG2 3.77Å; F355-V487 HydrophobicContact CG-CG2 4.24Å
356	S	93.8	Very high	93.9	Very high	64 Å²	64	68 Å²	68	45%	0.448	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	139.5	177.1	56.5	0	0	0	0	111	G485 V487	S356-G485 PolarHBondContact N-O 2.99Å; S356-V487 PolarHBondContact O-N 3.43Å
357	V	96.1	Very high	93.7	Very high	40 Å²	40	69.8 Å²	69.8	24%	0.242	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	125.2	166.3	-171.4	0	0	0	0	107.9	F355 V487 L495 K499 L502	F355-V357 HydrophobicContact CE2-CG2 4.41Å; V357-V487 CarbonylContact C-O 3.57Å; V357-V487 WeakPolarHBondContact CA-O 3.45Å; V357-L495 HydrophobicContact CG1-CD1 4.25Å; V357-K499 HydrophobicContact CB-CG 4.4Å; V357-K499 HydrophobicContact CG1-CD 4.44Å; V357-K499 HydrophobicContact CG1-CG 3.67Å; V357-L502 HydrophobicContact CG2-CD1 3.64Å
358	L	96.7	Very high	93.6	Very high	40 Å²	40	67.4 Å²	67.4	21%	0.209	35%	0.352	C	S	.	.			trans	-71.5	158.7	-177.9	-57.4	-177.7	0	0	0	111.6	E486 V487 T488 K499	L358-E486 HydrophobicContact CD1-CB 4.32Å; L358-E486 HydrophobicContact CD2-CB 4.23Å; L358-E486 HydrophobicContact CD2-CG 4.21Å; L358-E486 HydrophobicContact CG-CB 4.36Å; L358-V487 PolarHBondContact N-O 2.93Å; L358-T488 HydrophobicContact CD1-CG2 4.12Å; L358-K499 VanDerWaalsContact O-CE 3.23Å; L358-K499 WeakPolarHBondContact O-CE 3.4Å
359	D	95.4	Very high	93.5	Very high	120 Å²	120	66.7 Å²	66.7	64%	0.642	34%	0.337	S	S	*	.	S	Bend	trans	-87.5	-6.1	174.4	-65.3	-48.8	0	0	0	113.9	K499	D359-K499 IonicContact OD1-NZ 2.62Å; D359-K499 PolarHBondContact OD1-NZ 3.38Å
360	H	95.9	Very high	93.5	Very high	150 Å²	150	69 Å²	69	69%	0.694	36%	0.357	S	S	*	.	S	Bend	trans	-128.6	138.2	-179.8	-55.6	-70.5	0	0	0	110.8	T488	H360-T488 PolarHBondContact O-OG1 3.3Å
361	A	96.6	Very high	93.6	Very high	12 Å²	12	60.3 Å²	60.3	10%	0.099	32%	0.319	C	S	.	.			trans	-72.4	169.4	168.9	0	0	0	0	0	110.6	E363 T488 T489 R492	A361-E363 HydrophobicContact CB-CG 4.04Å; A361-T488 WeakPolarHBondContact CA-OG1 3.3Å; A361-T489 WeakPolarHBondContact CA-O 3.48Å; A361-R492 HydrophobicContact CB-CB 4.3Å
362	V	96.8	Very high	94	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.006	31%	0.312	C	S	.	.			trans	-74.6	-34.9	176.1	178.8	0	0	0	0	111.5	T364 N367 I443 T488 T489 M490	V362-T364 WeakPolarHBondContact CG1-O 3.45Å; V362-T364 PolarHBondContact O-N 2.9Å; V362-N367 HydrophobicContact CG1-CB 4.08Å; V362-N367 PolarHBondContact O-ND2 2.75Å; V362-I443 HydrophobicContact CB-CG2 4.34Å; V362-I443 HydrophobicContact CG2-CB 4.41Å; V362-I443 HydrophobicContact CG2-CD1 3.83Å; V362-I443 HydrophobicContact CG2-CG1 3.81Å; V362-I443 HydrophobicContact CG2-CG2 3.7Å; V362-T488 HydrophobicContact CG2-CG2 3.67Å; V362-T489 PolarHBondContact N-O 3.31Å; V362-M490 HydrophobicContact CB-SD 4.21Å; V362-M490 HydrophobicContact CG1-SD 4.21Å
363	E	94.1	Very high	94.4	Very high	112 Å²	112	54.1 Å²	54.1	52%	0.523	29%	0.29	S	S	.	.			trans	62.5	-49.8	177.2	-57.5	-173	162.9	0	0	115.5	A361 M490	A361-E363 HydrophobicContact CB-CG 4.04Å; E363-M490 WeakPolarHBondContact CA-O 3.4Å; E363-M490 PolarHBondContact N-O 2.78Å
364	T	93.6	Very high	94.9	Very high	47 Å²	47	53.5 Å²	53.5	29%	0.288	29%	0.286	S	S	.	.	S	Bend	trans	-130.2	147.7	173.8	-179.7	0	0	0	0	111.8	V362 D366 N367	V362-T364 WeakPolarHBondContact CG1-O 3.45Å; V362-T364 PolarHBondContact O-N 2.9Å; T364-D366 HydrophobicContact CG2-CB 3.9Å; T364-D366 PolarHBondContact O-N 3.4Å; T364-D366 VanDerWaalsContact O-N 3.12Å; T364-D366 VanDerWaalsContact OG1-CG 3.32Å; T364-D366 PolarHBondContact OG1-N 2.85Å; T364-D366 PolarHBondContact OG1-OD2 3.44Å; T364-N367 WeakPolarHBondContact O-CB 3.16Å; T364-N367 PolarHBondContact O-N 2.86Å
365	L	93.9	Very high	95.4	Very high	8 Å²	8	49.7 Å²	49.7	4%	0.042	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-62.8	-13.9	173.7	-58.6	173.9	0	0	0	113.1	N367 L368 I374 L385 Q388 I389 M490	L365-N367 PolarHBondContact O-N 3.32Å; L365-L368 HydrophobicContact CB-CD1 4.07Å; L365-L368 HydrophobicContact CD2-CD1 3.99Å; L365-L368 WeakPolarHBondContact O-CB 3.28Å; L365-L368 WeakPolarHBondContact O-CD1 3.09Å; L365-L368 WeakPolarHBondContact O-CG 3.05Å; L365-L368 PolarHBondContact O-N 3.46Å; L365-I374 HydrophobicContact CD2-CD1 4.04Å; L365-L385 HydrophobicContact CD1-CD2 4.33Å; L365-L385 HydrophobicContact CD2-CD2 3.92Å; L365-Q388 HydrophobicContact CD1-CB 3.43Å; L365-Q388 VanDerWaalsContact CD1-CB 3.43Å; L365-Q388 HydrophobicContact CD1-CG 4.36Å; L365-I389 HydrophobicContact CD1-CG1 4.37Å; L365-M490 HydrophobicContact CD2-CE 3.58Å; L365-M490 HydrophobicContact CD2-SD 4.11Å
366	D	93.1	Very high	95.6	Very high	100 Å²	100	46.7 Å²	46.7	54%	0.535	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-68	-20.6	173.1	-44.4	-49.9	0	0	0	112	T364 L368 R392	T364-D366 HydrophobicContact CG2-CB 3.9Å; T364-D366 PolarHBondContact O-N 3.4Å; T364-D366 VanDerWaalsContact O-N 3.12Å; T364-D366 VanDerWaalsContact OG1-CG 3.32Å; T364-D366 PolarHBondContact OG1-N 2.85Å; T364-D366 PolarHBondContact OG1-OD2 3.44Å; D366-L368 VanDerWaalsContact C-N 3.28Å; D366-L368 PolarHBondContact O-N 2.85Å; D366-R392 IonicContact OD1-CZ 2.78Å; D366-R392 IonicContact OD1-NE 3.68Å; D366-R392 PolarHBondContact OD1-NE 2.62Å; D366-R392 IonicContact OD1-NH2 3.21Å; D366-R392 PolarHBondContact OD1-NH2 2.58Å; D366-R392 IonicContact OD2-NH2 3.59Å
367	N	95.5	Very high	95.6	Very high	84 Å²	84	44.8 Å²	44.8	45%	0.449	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-88.2	13.5	176.3	-66.4	-30.1	0	0	0	113.4	V362 T364 L365 R441	V362-N367 HydrophobicContact CG1-CB 4.08Å; V362-N367 PolarHBondContact O-ND2 2.75Å; T364-N367 WeakPolarHBondContact O-CB 3.16Å; T364-N367 PolarHBondContact O-N 2.86Å; L365-N367 PolarHBondContact O-N 3.32Å; N367-R441 PolarHBondContact O-NH2 2.74Å
368	L	95.8	Very high	95.3	Very high	12 Å²	12	44.4 Å²	44.4	6%	0.063	23%	0.231	C	C	.	.			trans	-73.7	140.6	175.1	-71.5	175.2	0	0	0	111.9	L365 D366 D372 I374 I389 I424 I443	L365-L368 HydrophobicContact CB-CD1 4.07Å; L365-L368 HydrophobicContact CD2-CD1 3.99Å; L365-L368 WeakPolarHBondContact O-CB 3.28Å; L365-L368 WeakPolarHBondContact O-CD1 3.09Å; L365-L368 WeakPolarHBondContact O-CG 3.05Å; L365-L368 PolarHBondContact O-N 3.46Å; D366-L368 VanDerWaalsContact C-N 3.28Å; D366-L368 PolarHBondContact O-N 2.85Å; L368-D372 VanDerWaalsContact CA-OD2 3.3Å; L368-D372 WeakPolarHBondContact CA-OD2 3.11Å; L368-D372 HydrophobicContact CD2-CB 4.19Å; L368-D372 WeakPolarHBondContact CD2-OD2 3.29Å; L368-I374 HydrophobicContact CD1-CD1 4.16Å; L368-I374 HydrophobicContact CD2-CD1 3.93Å; L368-I374 HydrophobicContact CD2-CG1 4.2Å; L368-I389 HydrophobicContact CD1-CD1 4.04Å; L368-I389 HydrophobicContact CD1-CG1 3.82Å; L368-I424 HydrophobicContact CB-CD1 4.04Å; L368-I424 HydrophobicContact CD1-CG2 4.39Å; L368-I443 HydrophobicContact CD2-CD1 3.78Å
369	R	95.1	Very high	95	Very high	100 Å²	100	45.5 Å²	45.5	38%	0.377	23%	0.234	S	C	.	.			trans	-134.3	151.6	-172.9	-61.4	179	-60.4	170.5	11.6	110.4	G371 D372 I424 R441 E486	R369-G371 PolarHBondContact O-N 3.41Å; R369-D372 PolarHBondContact N-OD2 2.78Å; R369-D372 VanDerWaalsContact O-CB 3.24Å; R369-D372 WeakPolarHBondContact O-CB 3.4Å; R369-D372 PolarHBondContact O-N 2.94Å; R369-I424 VanDerWaalsContact O-CD1 3.26Å; R369-I424 WeakPolarHBondContact O-CD1 3.33Å; R369-R441 VanDerWaalsContact NH2-NE 3.18Å; R369-E486 IonicContact CZ-OE2 2.68Å; R369-E486 IonicContact NH2-OE1 3.38Å; R369-E486 IonicContact NH2-OE2 3.62Å; R369-E486 PolarHBondContact NH2-OE2 3Å
370	P	94.8	Very high	94.6	Very high	88 Å²	88	45.6 Å²	45.6	57%	0.571	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	129.2	176.2	-30	37.3	0	0	0	113.4	K423	P370-K423 HydrophobicContact CB-CB 3.74Å; P370-K423 HydrophobicContact CB-CG 4.15Å; P370-K423 HydrophobicContact CG-CB 4.35Å
371	G	94.5	Very high	94.5	Very high	2 Å²	2	41.2 Å²	41.2	2%	0.021	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.6	2.7	-175.1	0	0	0	0	0	114.5	R369 K423 K440 R441	R369-G371 PolarHBondContact O-N 3.41Å; G371-K423 PolarHBondContact N-O 3.46Å; G371-K440 PolarHBondContact O-N 2.8Å; G371-R441 PolarHBondContact O-N 3.21Å
372	D	97.3	Very high	94.3	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	137.4	171.5	-76.2	-9.4	0	0	0	111.8	L368 R369 I424 L425 R441 I443	L368-D372 VanDerWaalsContact CA-OD2 3.3Å; L368-D372 WeakPolarHBondContact CA-OD2 3.11Å; L368-D372 HydrophobicContact CD2-CB 4.19Å; L368-D372 WeakPolarHBondContact CD2-OD2 3.29Å; R369-D372 PolarHBondContact N-OD2 2.78Å; R369-D372 VanDerWaalsContact O-CB 3.24Å; R369-D372 WeakPolarHBondContact O-CB 3.4Å; R369-D372 PolarHBondContact O-N 2.94Å; D372-I424 HydrophobicContact CB-CD1 4.04Å; D372-L425 PolarHBondContact O-N 3.46Å; D372-R441 VanDerWaalsContact CG-NH2 3.35Å; D372-R441 VanDerWaalsContact OD1-CB 3.32Å; D372-R441 WeakPolarHBondContact OD1-CB 3.27Å; D372-R441 IonicContact OD1-CZ 2.77Å; D372-R441 IonicContact OD1-NE 2.68Å; D372-R441 PolarHBondContact OD1-NE 2.81Å; D372-R441 IonicContact OD1-NH2 3.12Å; D372-R441 PolarHBondContact OD1-NH2 3.39Å; D372-R441 IonicContact OD2-CZ 3.76Å; D372-R441 IonicContact OD2-NE 3.81Å; D372-R441 IonicContact OD2-NH2 2.79Å; D372-R441 PolarHBondContact OD2-NH2 2.58Å; D372-I443 HydrophobicContact CB-CD1 3.83Å
373	C	97.8	Very high	94	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	117.5	169.7	179.2	0	0	0	0	110.8	L425 I431 I439 R441 I442 I443	C373-L425 CarbonylContact C-O 3.52Å; C373-L425 VanDerWaalsContact CA-O 3.23Å; C373-L425 WeakPolarHBondContact CA-O 3.36Å; C373-L425 HydrophobicContact CB-CB 4.13Å; C373-L425 HydrophobicContact CB-CD2 4.33Å; C373-L425 HydrophobicContact CB-CG 4.41Å; C373-I431 VanDerWaalsContact SG-CD1 3.6Å; C373-I439 HydrophobicContact CB-CB 4.41Å; C373-I439 HydrophobicContact CB-CD1 3.76Å; C373-I439 HydrophobicContact CB-CG1 3.91Å; C373-I439 HydrophobicContact CB-CG2 3.63Å; C373-R441 PolarHBondContact N-O 3.5Å; C373-I442 HydrophobicContact CB-CD1 4.19Å; C373-I443 PolarHBondContact O-N 3.38Å
374	I	98.1	Very high	93.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	119.2	175.7	-48	172.5	0	0	0	109	L365 L368 L385 I389 L425 V426 A427 I443 N445 M490	L365-I374 HydrophobicContact CD2-CD1 4.04Å; L368-I374 HydrophobicContact CD1-CD1 4.16Å; L368-I374 HydrophobicContact CD2-CD1 3.93Å; L368-I374 HydrophobicContact CD2-CG1 4.2Å; I374-L385 HydrophobicContact CG2-CD1 3.8Å; I374-I389 HydrophobicContact CD1-CD1 3.9Å; I374-L425 PolarHBondContact N-O 3.41Å; I374-V426 HydrophobicContact CD1-CG2 4.43Å; I374-A427 PolarHBondContact O-N 2.65Å; I374-I443 CarbonylContact C-O 3.6Å; I374-I443 WeakPolarHBondContact CA-O 3.46Å; I374-I443 HydrophobicContact CG1-CB 4.43Å; I374-I443 HydrophobicContact CG1-CD1 4.13Å; I374-N445 HydrophobicContact CG2-CB 3.93Å; I374-M490 HydrophobicContact CD1-CE 3.95Å; I374-M490 HydrophobicContact CG1-CE 4.33Å; I374-M490 HydrophobicContact CG2-CE 3.97Å
375	V	97.7	Very high	93.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	126.5	-176.9	-174.1	0	0	0	0	110.5	F377 A427 I431 I442 I443 N445 I471	V375-F377 HydrophobicContact CG1-CZ 4.45Å; V375-A427 CarbonylContact C-O 3.4Å; V375-A427 WeakPolarHBondContact CA-O 3.44Å; V375-I431 HydrophobicContact CG2-CD1 4.09Å; V375-I442 HydrophobicContact CG2-CD1 4.06Å; V375-I442 HydrophobicContact CG2-CG2 4.2Å; V375-I443 PolarHBondContact N-O 2.62Å; V375-N445 VanDerWaalsContact O-CB 3.29Å; V375-N445 WeakPolarHBondContact O-CB 3.3Å; V375-N445 PolarHBondContact O-N 2.77Å; V375-I471 HydrophobicContact CB-CG2 4.34Å; V375-I471 HydrophobicContact CG1-CD1 4.34Å; V375-I471 HydrophobicContact CG1-CG2 4.04Å; V375-I471 HydrophobicContact CG2-CG2 3.82Å
376	C	96	Very high	93.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	149.2	-173.5	-52.3	0	0	0	0	111.4	D381 I382 L385 A427 T428	C376-D381 HydrophobicContact CB-CB 3.95Å; C376-I382 HydrophobicContact CB-CD1 3.67Å; C376-I382 HydrophobicContact CB-CG1 4.19Å; C376-L385 WeakPolarHBondContact SG-CD1 3.37Å; C376-A427 PolarHBondContact N-O 3.03Å; C376-T428 VanDerWaalsContact O-CA 3.3Å; C376-T428 WeakPolarHBondContact O-CA 3.3Å
377	F	93.1	Very high	93.4	Very high	24 Å²	24	35.6 Å²	35.6	11%	0.105	19%	0.185	C	C	.	.	S	Bend	trans	-105.1	3.3	178	-61.4	-70.6	0	0	0	114	V375 D429 F444 S446 V448 K449 I463 I471	V375-F377 HydrophobicContact CG1-CZ 4.45Å; F377-D429 HydrophobicContact CD1-CB 4.36Å; F377-D429 HydrophobicContact CE1-CB 3.97Å; F377-F444 HydrophobicContact CE2-CD1 4.36Å; F377-F444 HydrophobicContact CZ-CD1 4.33Å; F377-F444 HydrophobicContact CZ-CE1 4.45Å; F377-S446 VanDerWaalsContact CE2-O 3.26Å; F377-S446 WeakPolarHBondContact CE2-O 3.34Å; F377-V448 WeakPolarHBondContact CD2-O 3.49Å; F377-K449 HydrophobicContact CB-CB 4.24Å; F377-K449 HydrophobicContact CB-CG 4.29Å; F377-K449 HydrophobicContact CD1-CB 4.27Å; F377-K449 HydrophobicContact CD1-CD 4.16Å; F377-K449 HydrophobicContact CD1-CG 4.26Å; F377-K449 HydrophobicContact CG-CB 4.21Å; F377-K449 HydrophobicContact CG-CG 4.48Å; F377-I463 HydrophobicContact CD1-CG2 4.45Å; F377-I463 HydrophobicContact CD2-CG2 4.41Å; F377-I463 HydrophobicContact CE1-CG2 3.83Å; F377-I463 HydrophobicContact CE2-CD1 4.44Å; F377-I463 HydrophobicContact CE2-CG2 3.81Å; F377-I463 HydrophobicContact CZ-CD1 4.14Å; F377-I463 HydrophobicContact CZ-CG2 3.51Å; F377-I471 HydrophobicContact CE1-CD1 4.21Å; F377-I471 HydrophobicContact CZ-CD1 4.18Å
378	S	90.3	Very high	93.3	Very high	31 Å²	31	35.4 Å²	35.4	22%	0.217	18%	0.181	C	C	.	.	S	Bend	trans	-135.9	150.2	169.8	93.1	0	0	0	0	113	N380 D381 I382	S378-N380 PolarHBondContact O-N 3.38Å; S378-N380 PolarHBondContact OG-N 2.97Å; S378-D381 VanDerWaalsContact CB-OD2 3.29Å; S378-D381 WeakPolarHBondContact CB-OD2 3.02Å; S378-D381 PolarHBondContact N-OD2 2.97Å; S378-D381 PolarHBondContact O-N 3.49Å; S378-D381 PolarHBondContact OG-N 2.96Å; S378-D381 PolarHBondContact OG-OD2 3.27Å; S378-I382 WeakPolarHBondContact O-CG1 3.25Å; S378-I382 PolarHBondContact O-N 2.93Å
379	K	89.1	Confident	93.1	Very high	64 Å²	64	34.8 Å²	34.8	28%	0.278	18%	0.178	S	C	.	.	H	α-helix	trans	-62.3	-28.2	172.6	-75.9	-168	172.3	-163.7	0	112.7	D381 I382 Y383 Y400 S402 E633	K379-D381 VanDerWaalsContact C-N 3.35Å; K379-I382 WeakPolarHBondContact O-CB 3.27Å; K379-I382 PolarHBondContact O-N 3.06Å; K379-Y383 HydrophobicContact CB-CE2 4.09Å; K379-Y383 WeakPolarHBondContact O-CD2 3.27Å; K379-Y383 VanDerWaalsContact O-CG 3.27Å; K379-Y383 PolarHBondContact O-N 2.93Å; K379-Y383 VanDerWaalsContact O-N 3.15Å; K379-Y400 HydrophobicContact CD-CD2 4.48Å; K379-Y400 HydrophobicContact CD-CE2 4.49Å; K379-S402 WeakPolarHBondContact CE-OG 3.34Å; K379-S402 PolarHBondContact NZ-OG 2.65Å; K379-E633 IonicContact NZ-OE1 2.77Å; K379-E633 IonicContact NZ-OE2 3.56Å; K379-E633 PolarHBondContact NZ-OE2 3.34Å
380	N	88.6	Confident	92.7	Very high	122 Å²	122	32.7 Å²	32.7	65%	0.652	17%	0.172	S	C	*	.	H	α-helix	trans	-67.7	-38.7	-179.4	-67.7	-4.6	0	0	0	111	S378 Y383 S384	S378-N380 PolarHBondContact O-N 3.38Å; S378-N380 PolarHBondContact OG-N 2.97Å; N380-Y383 PolarHBondContact O-N 2.64Å; N380-S384 WeakPolarHBondContact O-CB 3.34Å; N380-S384 PolarHBondContact O-N 3.11Å
381	D	92.3	Very high	92.5	Very high	57 Å²	57	31 Å²	31	31%	0.305	17%	0.165	S	C	.	.	H	α-helix	trans	-65.8	-42.3	176.3	-51.2	-43	0	0	0	110.9	C376 S378 K379 Y383 S384 L385	C376-D381 HydrophobicContact CB-CB 3.95Å; S378-D381 VanDerWaalsContact CB-OD2 3.29Å; S378-D381 WeakPolarHBondContact CB-OD2 3.02Å; S378-D381 PolarHBondContact N-OD2 2.97Å; S378-D381 PolarHBondContact O-N 3.49Å; S378-D381 PolarHBondContact OG-N 2.96Å; S378-D381 PolarHBondContact OG-OD2 3.27Å; K379-D381 VanDerWaalsContact C-N 3.35Å; D381-Y383 VanDerWaalsContact C-N 3.32Å; D381-Y383 PolarHBondContact O-N 2.86Å; D381-S384 PolarHBondContact O-N 3.21Å; D381-L385 WeakPolarHBondContact O-CB 3.34Å; D381-L385 WeakPolarHBondContact O-CG 3.09Å; D381-L385 PolarHBondContact O-N 3.31Å
382	I	92.6	Very high	92.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-52.8	-49.7	173.4	-58.5	-68.5	0	0	0	110.8	C376 S378 K379 N386 V398 Y400 V426 A427 T428	C376-I382 HydrophobicContact CB-CD1 3.67Å; C376-I382 HydrophobicContact CB-CG1 4.19Å; S378-I382 WeakPolarHBondContact O-CG1 3.25Å; S378-I382 PolarHBondContact O-N 2.93Å; K379-I382 WeakPolarHBondContact O-CB 3.27Å; K379-I382 PolarHBondContact O-N 3.06Å; I382-N386 VanDerWaalsContact O-CB 3.23Å; I382-N386 WeakPolarHBondContact O-CB 3.32Å; I382-N386 PolarHBondContact O-N 3.08Å; I382-N386 VanDerWaalsContact O-N 3.1Å; I382-V398 HydrophobicContact CG2-CG1 3.47Å; I382-V398 VanDerWaalsContact CG2-CG1 3.47Å; I382-V398 HydrophobicContact CG2-CG2 4.49Å; I382-Y400 HydrophobicContact CG2-CD1 4.29Å; I382-V426 HydrophobicContact CB-CG1 4.36Å; I382-V426 HydrophobicContact CD1-CG1 3.77Å; I382-V426 HydrophobicContact CG2-CG1 4.15Å; I382-A427 VanDerWaalsContact CD1-C 3.47Å; I382-T428 HydrophobicContact CD1-CG2 3.98Å; I382-T428 HydrophobicContact CG1-CG2 4.07Å
383	Y	89.8	Confident	91.9	Very high	26 Å²	26	39.3 Å²	39.3	10%	0.102	22%	0.219	C	C	.	.	H	α-helix	trans	-68.8	-40	-179.4	-56.3	-32.3	0	0	0	112.2	K379 N380 D381 R387 Y400 I626 I677 I681	K379-Y383 HydrophobicContact CB-CE2 4.09Å; K379-Y383 WeakPolarHBondContact O-CD2 3.27Å; K379-Y383 VanDerWaalsContact O-CG 3.27Å; K379-Y383 PolarHBondContact O-N 2.93Å; K379-Y383 VanDerWaalsContact O-N 3.15Å; N380-Y383 PolarHBondContact O-N 2.64Å; D381-Y383 VanDerWaalsContact C-N 3.32Å; D381-Y383 PolarHBondContact O-N 2.86Å; Y383-R387 PolarHBondContact O-N 2.86Å; Y383-Y400 HydrophobicContact CE1-CE1 4.28Å; Y383-I626 HydrophobicContact CD2-CG2 4.47Å; Y383-I626 HydrophobicContact CE1-CD1 4.39Å; Y383-I626 HydrophobicContact CE2-CG2 3.87Å; Y383-I677 HydrophobicContact CD1-CD1 4.07Å; Y383-I677 HydrophobicContact CE1-CD1 3.84Å; Y383-I681 HydrophobicContact CD1-CD1 4.29Å; Y383-I681 HydrophobicContact CG-CD1 4.37Å
384	S	91.4	Very high	91.5	Very high	59 Å²	59	42.3 Å²	42.3	41%	0.413	23%	0.233	S	C	.	.	H	α-helix	trans	-63.1	-51.9	177.9	-176.1	0	0	0	0	112.1	N380 D381 R387 Q388	N380-S384 WeakPolarHBondContact O-CB 3.34Å; N380-S384 PolarHBondContact O-N 3.11Å; D381-S384 PolarHBondContact O-N 3.21Å; S384-R387 PolarHBondContact O-N 3.5Å; S384-Q388 WeakPolarHBondContact O-CG 3.16Å; S384-Q388 PolarHBondContact O-N 2.97Å; S384-Q388 VanDerWaalsContact O-N 3.08Å; S384-Q388 PolarHBondContact OG-NE2 3.5Å; S384-Q388 VanDerWaalsContact OG-NE2 3.09Å
385	L	92.9	Very high	91.1	Very high	9 Å²	9	47.1 Å²	47.1	5%	0.047	26%	0.256	C	S	.	.	H	α-helix	trans	-63.3	-45.3	-179.8	-73.1	163.6	0	0	0	111.7	L365 I374 C376 D381 R387 Q388 I389 V426 N445 M490	L365-L385 HydrophobicContact CD1-CD2 4.33Å; L365-L385 HydrophobicContact CD2-CD2 3.92Å; I374-L385 HydrophobicContact CG2-CD1 3.8Å; C376-L385 WeakPolarHBondContact SG-CD1 3.37Å; D381-L385 WeakPolarHBondContact O-CB 3.34Å; D381-L385 WeakPolarHBondContact O-CG 3.09Å; D381-L385 PolarHBondContact O-N 3.31Å; L385-R387 VanDerWaalsContact C-N 3.33Å; L385-R387 PolarHBondContact O-N 3.14Å; L385-Q388 CarbonylContact O-C 3.51Å; L385-Q388 PolarHBondContact O-N 3.41Å; L385-I389 WeakPolarHBondContact O-CD1 3.49Å; L385-I389 VanDerWaalsContact O-CG1 3.25Å; L385-I389 WeakPolarHBondContact O-CG1 3.47Å; L385-I389 PolarHBondContact O-N 3.3Å; L385-V426 HydrophobicContact CB-CG1 4.18Å; L385-V426 HydrophobicContact CD1-CG1 4.3Å; L385-N445 HydrophobicContact CD1-CB 4.38Å; L385-M490 HydrophobicContact CD2-CE 4.39Å
386	N	91.2	Very high	90.8	Very high	6 Å²	6	48 Å²	48	3%	0.032	26%	0.261	C	S	.	.	H	α-helix	trans	-57.7	-45.9	178	-174.2	-6.9	0	0	0	111.5	I382 Q388 I389 E390 C396 V398 I677 T678	I382-N386 VanDerWaalsContact O-CB 3.23Å; I382-N386 WeakPolarHBondContact O-CB 3.32Å; I382-N386 PolarHBondContact O-N 3.08Å; I382-N386 VanDerWaalsContact O-N 3.1Å; N386-Q388 VanDerWaalsContact C-N 3.3Å; N386-Q388 PolarHBondContact O-N 2.97Å; N386-I389 PolarHBondContact O-N 3.36Å; N386-E390 PolarHBondContact O-N 3.25Å; N386-C396 PolarHBondContact OD1-SG 2.67Å; N386-V398 WeakPolarHBondContact ND2-CG2 3.43Å; N386-I677 WeakPolarHBondContact ND2-CG2 3.18Å; N386-T678 WeakPolarHBondContact OD1-CG2 3.48Å
387	R	88.4	Confident	90.7	Very high	63 Å²	63	48 Å²	48	24%	0.238	26%	0.261	C	S	.	.	H	α-helix	trans	-58	-41.7	173.6	179.7	-178.3	174	169.4	1.7	112	Y383 S384 L385 A391 I681 L688	Y383-R387 PolarHBondContact O-N 2.86Å; S384-R387 PolarHBondContact O-N 3.5Å; L385-R387 VanDerWaalsContact C-N 3.33Å; L385-R387 PolarHBondContact O-N 3.14Å; R387-A391 VanDerWaalsContact O-CB 3.32Å; R387-A391 WeakPolarHBondContact O-CB 3.25Å; R387-A391 PolarHBondContact O-N 3.02Å; R387-I681 HydrophobicContact CB-CG2 4.46Å; R387-L688 VanDerWaalsContact NH1-CB 3.33Å; R387-L688 PolarHBondContact NH2-O 3.37Å
388	Q	91.8	Very high	90.8	Very high	79 Å²	79	46.9 Å²	46.9	37%	0.369	26%	0.257	S	S	.	.	H	α-helix	trans	-71.9	-28.4	-179	-70.5	178.1	58.1	0	0	114	L365 S384 L385 N386 R392	L365-Q388 HydrophobicContact CD1-CB 3.43Å; L365-Q388 VanDerWaalsContact CD1-CB 3.43Å; L365-Q388 HydrophobicContact CD1-CG 4.36Å; S384-Q388 WeakPolarHBondContact O-CG 3.16Å; S384-Q388 PolarHBondContact O-N 2.97Å; S384-Q388 VanDerWaalsContact O-N 3.08Å; S384-Q388 PolarHBondContact OG-NE2 3.5Å; S384-Q388 VanDerWaalsContact OG-NE2 3.09Å; L385-Q388 CarbonylContact O-C 3.51Å; L385-Q388 PolarHBondContact O-N 3.41Å; N386-Q388 VanDerWaalsContact C-N 3.3Å; N386-Q388 PolarHBondContact O-N 2.97Å; Q388-R392 WeakPolarHBondContact O-CD 3.37Å; Q388-R392 WeakPolarHBondContact O-CG 3.39Å; Q388-R392 PolarHBondContact O-NH1 2.89Å
389	I	92.3	Very high	91	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-77.7	-44.9	176	-65.5	162.1	0	0	0	109.9	L365 L368 I374 L385 N386 A391 R392 Q394 C396 I424 V426	L365-I389 HydrophobicContact CD1-CG1 4.37Å; L368-I389 HydrophobicContact CD1-CD1 4.04Å; L368-I389 HydrophobicContact CD1-CG1 3.82Å; I374-I389 HydrophobicContact CD1-CD1 3.9Å; L385-I389 WeakPolarHBondContact O-CD1 3.49Å; L385-I389 VanDerWaalsContact O-CG1 3.25Å; L385-I389 WeakPolarHBondContact O-CG1 3.47Å; L385-I389 PolarHBondContact O-N 3.3Å; N386-I389 PolarHBondContact O-N 3.36Å; I389-A391 VanDerWaalsContact C-N 3.32Å; I389-A391 PolarHBondContact O-N 2.99Å; I389-R392 WeakPolarHBondContact O-CB 3.49Å; I389-R392 PolarHBondContact O-N 3.33Å; I389-Q394 HydrophobicContact CG2-CB 3.62Å; I389-Q394 PolarHBondContact O-N 3.42Å; I389-C396 HydrophobicContact CD1-CB 4.47Å; I389-C396 HydrophobicContact CG2-CB 4.19Å; I389-I424 HydrophobicContact CD1-CG2 4.19Å; I389-V426 HydrophobicContact CD1-CG2 3.61Å
390	E	87.7	Confident	91.3	Very high	55 Å²	55	42.4 Å²	42.4	26%	0.257	23%	0.233	S	C	.	.	H	α-helix	trans	-63.1	-37.2	175.3	-168.5	-159.8	-134.4	0	0	112	N386 R392 G393 Q394 T678 R682	N386-E390 PolarHBondContact O-N 3.25Å; E390-R392 PolarHBondContact O-N 3.03Å; E390-R392 VanDerWaalsContact O-N 3.09Å; E390-G393 PolarHBondContact O-N 3.11Å; E390-Q394 WeakPolarHBondContact CA-O 3.23Å; E390-T678 HydrophobicContact CB-CG2 3.96Å; E390-T678 VanDerWaalsContact CD-CG2 3.45Å; E390-T678 VanDerWaalsContact CD-OG1 3.3Å; E390-T678 HydrophobicContact CG-CG2 4.11Å; E390-T678 WeakPolarHBondContact OE1-CB 3.47Å; E390-T678 WeakPolarHBondContact OE1-CG2 3.44Å; E390-T678 PolarHBondContact OE1-OG1 2.98Å; E390-T678 WeakPolarHBondContact OE2-CB 3.34Å; E390-R682 IonicContact OE2-CZ 3.18Å; E390-R682 IonicContact OE2-NE 2.63Å; E390-R682 PolarHBondContact OE2-NE 2.68Å; E390-R682 IonicContact OE2-NH2 2.71Å; E390-R682 PolarHBondContact OE2-NH2 3.37Å
391	A	88.9	Confident	91.3	Very high	52 Å²	52	38.7 Å²	38.7	43%	0.43	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-17	174.4	0	0	0	0	0	113.8	R387 I389	R387-A391 VanDerWaalsContact O-CB 3.32Å; R387-A391 WeakPolarHBondContact O-CB 3.25Å; R387-A391 PolarHBondContact O-N 3.02Å; I389-A391 VanDerWaalsContact C-N 3.32Å; I389-A391 PolarHBondContact O-N 2.99Å
392	R	90.8	Very high	91.2	Very high	104 Å²	104	37.7 Å²	37.7	39%	0.392	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	5.6	173.9	-66.9	167.3	163.5	81.9	-0.5	113.2	D366 Q388 I389 E390 Q394	D366-R392 IonicContact OD1-CZ 2.78Å; D366-R392 IonicContact OD1-NE 3.68Å; D366-R392 PolarHBondContact OD1-NE 2.62Å; D366-R392 IonicContact OD1-NH2 3.21Å; D366-R392 PolarHBondContact OD1-NH2 2.58Å; D366-R392 IonicContact OD2-NH2 3.59Å; Q388-R392 WeakPolarHBondContact O-CD 3.37Å; Q388-R392 WeakPolarHBondContact O-CG 3.39Å; Q388-R392 PolarHBondContact O-NH1 2.89Å; I389-R392 WeakPolarHBondContact O-CB 3.49Å; I389-R392 PolarHBondContact O-N 3.33Å; E390-R392 PolarHBondContact O-N 3.03Å; E390-R392 VanDerWaalsContact O-N 3.09Å; R392-Q394 VanDerWaalsContact C-N 3.32Å
393	G	88.5	Confident	91.3	Very high	74 Å²	74	37.8 Å²	37.8	76%	0.763	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	76	15	-178.1	0	0	0	0	0	114.7	E390	E390-G393 PolarHBondContact O-N 3.11Å
394	Q	89.8	Confident	91.4	Very high	63 Å²	63	36.7 Å²	36.7	29%	0.294	22%	0.218	S	C	.	.			trans	-99.2	140.4	175.9	-70.3	-175.1	-12.9	0	0	111.2	I389 E390 R392	I389-Q394 HydrophobicContact CG2-CB 3.62Å; I389-Q394 PolarHBondContact O-N 3.42Å; E390-Q394 WeakPolarHBondContact CA-O 3.23Å; R392-Q394 VanDerWaalsContact C-N 3.32Å
395	E	89	Confident	91.3	Very high	102 Å²	102	35.9 Å²	35.9	48%	0.477	21%	0.211	S	C	.	.			trans	-89.8	137.3	170.7	-70.2	-166.5	-157.3	0	0	111.4	K414 C422	E395-K414 IonicContact OE2-NZ 2.73Å; E395-K414 PolarHBondContact OE2-NZ 3.47Å; E395-C422 HydrophobicContact CB-CB 4.07Å
396	C	91.9	Very high	91.1	Very high	17 Å²	17	36.7 Å²	36.7	12%	0.115	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	147	171.4	77	0	0	0	0	113.3	N386 I389 I424 V426	N386-C396 PolarHBondContact OD1-SG 2.67Å; I389-C396 HydrophobicContact CD1-CB 4.47Å; I389-C396 HydrophobicContact CG2-CB 4.19Å; C396-I424 CarbonylContact C-O 3.6Å; C396-I424 WeakPolarHBondContact CA-O 3.45Å; C396-I424 HydrophobicContact CB-CB 3.85Å; C396-I424 HydrophobicContact CB-CG2 4.01Å; C396-I424 WeakPolarHBondContact CB-O 3.46Å; C396-V426 HydrophobicContact CB-CG2 4.19Å
397	A	94.8	Very high	91.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	151.1	170.8	0	0	0	0	0	109.5	Q411 F415 C422 I424 L425 V426	A397-Q411 VanDerWaalsContact CA-OE1 3.31Å; A397-F415 HydrophobicContact CB-CB 4.05Å; A397-C422 PolarHBondContact N-SG 2.86Å; A397-I424 PolarHBondContact N-O 2.88Å; A397-L425 HydrophobicContact CB-CD1 4.01Å; A397-V426 PolarHBondContact O-N 3.31Å
398	V	94.7	Very high	91.5	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	125.6	-177.4	176.4	0	0	0	0	111.4	I382 N386 Y400 L403 Q411 V426 V674	I382-V398 HydrophobicContact CG2-CG1 3.47Å; I382-V398 VanDerWaalsContact CG2-CG1 3.47Å; I382-V398 HydrophobicContact CG2-CG2 4.49Å; N386-V398 WeakPolarHBondContact ND2-CG2 3.43Å; V398-Y400 HydrophobicContact CG1-CD1 3.63Å; V398-Y400 HydrophobicContact CG1-CE1 3.72Å; V398-L403 WeakPolarHBondContact O-CD1 3.48Å; V398-Q411 WeakPolarHBondContact O-CG 3.25Å; V398-V426 WeakPolarHBondContact CA-O 3.29Å; V398-V674 HydrophobicContact CB-CG1 4.46Å
399	I	95.3	Very high	91.4	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	114.4	178.5	-61.3	180	0	0	0	111.1	Q411 A412 L425 V426 A427 T428 I431 L435 L437	I399-Q411 HydrophobicContact CD1-CB 4.29Å; I399-Q411 HydrophobicContact CG1-CB 3.87Å; I399-A412 HydrophobicContact CD1-CB 4.13Å; I399-L425 HydrophobicContact CB-CD1 4.24Å; I399-L425 HydrophobicContact CD1-CD1 3.83Å; I399-L425 HydrophobicContact CD1-CD2 4.45Å; I399-L425 HydrophobicContact CG1-CD1 3.81Å; I399-V426 PolarHBondContact N-O 3.13Å; I399-V426 VanDerWaalsContact N-O 3.13Å; I399-A427 HydrophobicContact CB-CB 4.17Å; I399-A427 CarbonylContact O-C 3.54Å; I399-A427 WeakPolarHBondContact O-CA 3.37Å; I399-A427 WeakPolarHBondContact O-CB 3.43Å; I399-T428 PolarHBondContact O-N 2.73Å; I399-I431 HydrophobicContact CB-CG2 4.35Å; I399-I431 HydrophobicContact CG2-CG2 3.96Å; I399-L435 HydrophobicContact CD1-CD1 4.06Å; I399-L435 HydrophobicContact CG2-CD1 3.9Å; I399-L437 HydrophobicContact CD1-CD2 4.12Å
400	Y	93.9	Very high	91.5	Very high	1 Å²	1	36.4 Å²	36.4	0%	0.004	23%	0.227	C	C	.	.			trans	-134.3	161.2	172	54.9	-99.8	0	0	0	113.3	K379 I382 Y383 V398 S402 L403 K408 T428 E633	K379-Y400 HydrophobicContact CD-CD2 4.48Å; K379-Y400 HydrophobicContact CD-CE2 4.49Å; I382-Y400 HydrophobicContact CG2-CD1 4.29Å; Y383-Y400 HydrophobicContact CE1-CE1 4.28Å; V398-Y400 HydrophobicContact CG1-CD1 3.63Å; V398-Y400 HydrophobicContact CG1-CE1 3.72Å; Y400-S402 VanDerWaalsContact C-N 3.35Å; Y400-S402 PolarHBondContact O-N 2.8Å; Y400-L403 HydrophobicContact CD1-CD1 4.18Å; Y400-L403 HydrophobicContact CD1-CG 4.22Å; Y400-L403 HydrophobicContact CD2-CD2 4.22Å; Y400-L403 HydrophobicContact CD2-CG 3.75Å; Y400-L403 HydrophobicContact CE1-CD1 4.2Å; Y400-L403 HydrophobicContact CE1-CD2 3.97Å; Y400-L403 HydrophobicContact CE1-CG 4.08Å; Y400-L403 HydrophobicContact CE2-CD2 3.51Å; Y400-L403 HydrophobicContact CE2-CG 3.58Å; Y400-L403 HydrophobicContact CG-CD1 4.35Å; Y400-L403 HydrophobicContact CG-CG 4.07Å; Y400-L403 WeakPolarHBondContact O-CB 3.35Å; Y400-L403 PolarHBondContact O-N 3.46Å; Y400-L403 VanDerWaalsContact O-N 3.08Å; Y400-L403 WeakPolarHBondContact OH-CD2 3.4Å; Y400-K408 VanDerWaalsContact O-CE 3.3Å; Y400-K408 WeakPolarHBondContact O-CE 3.37Å; Y400-T428 WeakPolarHBondContact CA-OG1 3.38Å; Y400-E633 VanDerWaalsContact CE2-OE1 3.25Å; Y400-E633 WeakPolarHBondContact CE2-OE1 3.29Å; Y400-E633 PolarHBondContact OH-OE1 3.28Å
401	G	89.8	Confident	91.8	Very high	44 Å²	44	34.1 Å²	34.1	45%	0.454	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-39	-166.7	0	0	0	0	0	116.3	K408 T428	G401-K408 WeakPolarHBondContact O-CE 3.33Å; G401-K408 PolarHBondContact O-NZ 3.34Å; G401-T428 PolarHBondContact N-OG1 2.94Å
402	S	90.8	Very high	92	Very high	35 Å²	35	31.8 Å²	31.8	25%	0.245	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	2.9	-178.6	64.3	0	0	0	0	115.5	K379 Y400 E633	K379-S402 WeakPolarHBondContact CE-OG 3.34Å; K379-S402 PolarHBondContact NZ-OG 2.65Å; Y400-S402 VanDerWaalsContact C-N 3.35Å; Y400-S402 PolarHBondContact O-N 2.8Å; S402-E633 WeakPolarHBondContact CB-OE2 3.47Å; S402-E633 PolarHBondContact OG-OE2 3.5Å
403	L	93.1	Very high	92.1	Very high	3 Å²	3	34 Å²	34	2%	0.016	21%	0.21	C	C	.	.	S	Bend	trans	-65.7	141.2	173.1	-71.4	178.6	0	0	0	110.8	V398 Y400 T407 K408 V674	V398-L403 WeakPolarHBondContact O-CD1 3.48Å; Y400-L403 HydrophobicContact CD1-CD1 4.18Å; Y400-L403 HydrophobicContact CD1-CG 4.22Å; Y400-L403 HydrophobicContact CD2-CD2 4.22Å; Y400-L403 HydrophobicContact CD2-CG 3.75Å; Y400-L403 HydrophobicContact CE1-CD1 4.2Å; Y400-L403 HydrophobicContact CE1-CD2 3.97Å; Y400-L403 HydrophobicContact CE1-CG 4.08Å; Y400-L403 HydrophobicContact CE2-CD2 3.51Å; Y400-L403 HydrophobicContact CE2-CG 3.58Å; Y400-L403 HydrophobicContact CG-CD1 4.35Å; Y400-L403 HydrophobicContact CG-CG 4.07Å; Y400-L403 WeakPolarHBondContact O-CB 3.35Å; Y400-L403 PolarHBondContact O-N 3.46Å; Y400-L403 VanDerWaalsContact O-N 3.08Å; Y400-L403 WeakPolarHBondContact OH-CD2 3.4Å; L403-T407 HydrophobicContact CB-CG2 4.36Å; L403-T407 HydrophobicContact CD1-CG2 4.23Å; L403-T407 HydrophobicContact CD2-CG2 4.04Å; L403-T407 HydrophobicContact CG-CG2 4.45Å; L403-K408 HydrophobicContact CB-CD 4.44Å; L403-K408 HydrophobicContact CB-CG 3.68Å; L403-K408 WeakPolarHBondContact O-CE 3.19Å; L403-K408 PolarHBondContact O-NZ 3.36Å; L403-V674 HydrophobicContact CD2-CG2 3.74Å
404	P	93.1	Very high	92.3	Very high	2 Å²	2	33 Å²	33	1%	0.013	18%	0.184	C	C	.	.			trans	-53	153.3	169.9	-31	38.3	0	0	0	113.7	G406 T407 K408 D667 I670	P404-G406 PolarHBondContact O-N 2.8Å; P404-T407 PolarHBondContact O-N 2.95Å; P404-K408 WeakPolarHBondContact O-CG 3.26Å; P404-K408 PolarHBondContact O-N 3.35Å; P404-D667 HydrophobicContact CB-CB 4.17Å; P404-D667 WeakPolarHBondContact CB-OD1 3.33Å; P404-D667 VanDerWaalsContact CB-OD2 3.27Å; P404-D667 WeakPolarHBondContact CB-OD2 3.37Å; P404-I670 HydrophobicContact CG-CB 4.35Å; P404-I670 HydrophobicContact CG-CD1 3.7Å; P404-I670 HydrophobicContact CG-CG2 3.97Å
405	P	89.2	Confident	92.6	Very high	42 Å²	42	30.2 Å²	30.2	27%	0.273	17%	0.172	S	C	.	.	H	α-helix	trans	-56.9	-45.7	179.8	-25.5	35.5	0	0	0	114	L239 K408 L409	L239-P405 HydrophobicContact CD2-CB 3.99Å; P405-K408 PolarHBondContact O-N 3Å; P405-L409 WeakPolarHBondContact O-CG 3.41Å; P405-L409 PolarHBondContact O-N 3.29Å
406	G	89.3	Confident	92.8	Very high	27 Å²	27	27.4 Å²	27.4	28%	0.278	16%	0.16	S	C	.	.	H	α-helix	trans	-65.1	-44.9	179.9	0	0	0	0	0	111.8	P404 K408 L409 S410 D667	P404-G406 PolarHBondContact O-N 2.8Å; G406-K408 PolarHBondContact O-N 3.13Å; G406-L409 PolarHBondContact O-N 3.08Å; G406-S410 VanDerWaalsContact O-CB 3.28Å; G406-S410 WeakPolarHBondContact O-CB 3.32Å; G406-S410 PolarHBondContact O-N 2.75Å; G406-D667 WeakPolarHBondContact CA-OD2 3.26Å; G406-D667 PolarHBondContact N-OD2 3.38Å
407	T	93.2	Very high	92.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-57.1	-45.3	172.1	-68.3	0	0	0	0	112.3	L403 P404 S410 Q411 D667 I670 Q671 V674	L403-T407 HydrophobicContact CB-CG2 4.36Å; L403-T407 HydrophobicContact CD1-CG2 4.23Å; L403-T407 HydrophobicContact CD2-CG2 4.04Å; L403-T407 HydrophobicContact CG-CG2 4.45Å; P404-T407 PolarHBondContact O-N 2.95Å; T407-S410 PolarHBondContact O-N 3.02Å; T407-Q411 VanDerWaalsContact O-CG 3.31Å; T407-Q411 WeakPolarHBondContact O-CG 3.39Å; T407-Q411 PolarHBondContact O-N 3.12Å; T407-D667 WeakPolarHBondContact CB-OD1 3.46Å; T407-D667 PolarHBondContact N-OD1 3.3Å; T407-D667 PolarHBondContact OG1-O 3.18Å; T407-D667 PolarHBondContact OG1-OD1 3.33Å; T407-I670 HydrophobicContact CG2-CG2 4.45Å; T407-Q671 WeakPolarHBondContact OG1-CA 3.3Å; T407-Q671 WeakPolarHBondContact OG1-CB 3.42Å; T407-Q671 PolarHBondContact OG1-N 3.1Å; T407-V674 HydrophobicContact CG2-CB 4.19Å; T407-V674 HydrophobicContact CG2-CG1 4.4Å; T407-V674 HydrophobicContact CG2-CG2 3.97Å
408	K	93.7	Very high	92.6	Very high	30 Å²	30	33.9 Å²	33.9	13%	0.13	20%	0.198	C	C	.	.	H	α-helix	trans	-60.5	-47.7	176.2	-75.4	176	176.3	131.5	0	112.1	L239 Y400 G401 L403 P404 P405 G406 S410 Q411 A412	L239-K408 HydrophobicContact CD1-CD 4.03Å; Y400-K408 VanDerWaalsContact O-CE 3.3Å; Y400-K408 WeakPolarHBondContact O-CE 3.37Å; G401-K408 WeakPolarHBondContact O-CE 3.33Å; G401-K408 PolarHBondContact O-NZ 3.34Å; L403-K408 HydrophobicContact CB-CD 4.44Å; L403-K408 HydrophobicContact CB-CG 3.68Å; L403-K408 WeakPolarHBondContact O-CE 3.19Å; L403-K408 PolarHBondContact O-NZ 3.36Å; P404-K408 WeakPolarHBondContact O-CG 3.26Å; P404-K408 PolarHBondContact O-N 3.35Å; P405-K408 PolarHBondContact O-N 3Å; G406-K408 PolarHBondContact O-N 3.13Å; K408-S410 VanDerWaalsContact C-N 3.33Å; K408-S410 PolarHBondContact O-N 3.06Å; K408-Q411 PolarHBondContact O-N 3.39Å; K408-A412 WeakPolarHBondContact O-CB 3.23Å; K408-A412 PolarHBondContact O-N 3.08Å
409	L	91	Very high	92.4	Very high	91 Å²	91	41.1 Å²	41.1	48%	0.476	24%	0.237	S	C	.	.	H	α-helix	trans	-64.1	-37.8	178.5	-70	171	0	0	0	111.7	L239 P405 G406 A412 K413 L435	L239-L409 HydrophobicContact CD2-CD1 4.34Å; L239-L409 HydrophobicContact CD2-CD2 4.4Å; L239-L409 HydrophobicContact CD2-CG 4.2Å; P405-L409 WeakPolarHBondContact O-CG 3.41Å; P405-L409 PolarHBondContact O-N 3.29Å; G406-L409 PolarHBondContact O-N 3.08Å; L409-A412 PolarHBondContact O-N 3.28Å; L409-K413 VanDerWaalsContact O-CB 3.25Å; L409-K413 WeakPolarHBondContact O-CB 3.38Å; L409-K413 PolarHBondContact O-N 3.09Å; L409-L435 HydrophobicContact CD2-CD2 4.05Å
410	S	92.7	Very high	92.3	Very high	20 Å²	20	43 Å²	43	14%	0.14	25%	0.247	C	C	.	.	H	α-helix	trans	-64.3	-44.1	175.9	-170.6	0	0	0	0	112.3	G406 T407 K408 K413 K414 Q671 R675	G406-S410 VanDerWaalsContact O-CB 3.28Å; G406-S410 WeakPolarHBondContact O-CB 3.32Å; G406-S410 PolarHBondContact O-N 2.75Å; T407-S410 PolarHBondContact O-N 3.02Å; K408-S410 VanDerWaalsContact C-N 3.33Å; K408-S410 PolarHBondContact O-N 3.06Å; S410-K413 PolarHBondContact O-N 3.3Å; S410-K414 WeakPolarHBondContact O-CB 3.32Å; S410-K414 PolarHBondContact O-N 2.86Å; S410-Q671 VanDerWaalsContact OG-CD 3.27Å; S410-Q671 PolarHBondContact OG-NE2 2.91Å; S410-R675 PolarHBondContact OG-NH2 2.71Å
411	Q	94.3	Very high	92.2	Very high	7 Å²	7	47.7 Å²	47.7	3%	0.033	28%	0.278	C	S	.	.	H	α-helix	trans	-67.4	-42.6	175.8	-68	-70.2	-42.3	0	0	111.9	A397 V398 I399 T407 K408 K414 F415 V674	A397-Q411 VanDerWaalsContact CA-OE1 3.31Å; V398-Q411 WeakPolarHBondContact O-CG 3.25Å; I399-Q411 HydrophobicContact CD1-CB 4.29Å; I399-Q411 HydrophobicContact CG1-CB 3.87Å; T407-Q411 VanDerWaalsContact O-CG 3.31Å; T407-Q411 WeakPolarHBondContact O-CG 3.39Å; T407-Q411 PolarHBondContact O-N 3.12Å; K408-Q411 PolarHBondContact O-N 3.39Å; Q411-K414 PolarHBondContact O-N 3.35Å; Q411-F415 PolarHBondContact O-N 3.01Å; Q411-F415 VanDerWaalsContact O-N 3.09Å; Q411-V674 HydrophobicContact CG-CG1 4.19Å
412	A	93.4	Very high	92.3	Very high	4 Å²	4	45.6 Å²	45.6	3%	0.033	26%	0.256	C	S	.	.	H	α-helix	trans	-62	-43.8	174.6	0	0	0	0	0	111.9	I399 K408 L409 F415 N416 L435 L437	I399-A412 HydrophobicContact CD1-CB 4.13Å; K408-A412 WeakPolarHBondContact O-CB 3.23Å; K408-A412 PolarHBondContact O-N 3.08Å; L409-A412 PolarHBondContact O-N 3.28Å; A412-F415 PolarHBondContact O-N 3.35Å; A412-N416 VanDerWaalsContact O-CB 3.28Å; A412-N416 WeakPolarHBondContact O-CB 3.43Å; A412-N416 PolarHBondContact O-N 2.99Å; A412-N416 PolarHBondContact O-ND2 3.27Å; A412-L435 HydrophobicContact CB-CD2 4.45Å; A412-L437 HydrophobicContact CB-CD2 3.58Å
413	K	92.9	Very high	92.5	Very high	151 Å²	151	46.3 Å²	46.3	66%	0.657	26%	0.255	S	S	*	.	H	α-helix	trans	-60.8	-46.5	175.7	-175.5	174.4	-179.9	176.8	0	111.1	L409 S410 F415 N416 D417	L409-K413 VanDerWaalsContact O-CB 3.25Å; L409-K413 WeakPolarHBondContact O-CB 3.38Å; L409-K413 PolarHBondContact O-N 3.09Å; S410-K413 PolarHBondContact O-N 3.3Å; K413-F415 VanDerWaalsContact C-N 3.34Å; K413-F415 PolarHBondContact O-N 3.25Å; K413-N416 PolarHBondContact O-N 2.96Å; K413-D417 WeakPolarHBondContact O-CB 3.49Å; K413-D417 PolarHBondContact O-N 3.02Å
414	K	93.1	Very high	92.7	Very high	51 Å²	51	46.5 Å²	46.5	22%	0.222	26%	0.256	C	S	.	.	H	α-helix	trans	-57.1	-45.4	178.1	-159.1	-166.1	178.7	-158.2	0	112.4	E395 S410 Q411 D420 C422	E395-K414 IonicContact OE2-NZ 2.73Å; E395-K414 PolarHBondContact OE2-NZ 3.47Å; S410-K414 WeakPolarHBondContact O-CB 3.32Å; S410-K414 PolarHBondContact O-N 2.86Å; Q411-K414 PolarHBondContact O-N 3.35Å; K414-D420 WeakPolarHBondContact CE-OD1 3.49Å; K414-D420 VanDerWaalsContact CE-OD2 3.29Å; K414-D420 WeakPolarHBondContact CE-OD2 3.4Å; K414-D420 WeakPolarHBondContact CG-OD2 3.27Å; K414-C422 HydrophobicContact CD-CB 3.75Å; K414-C422 HydrophobicContact CG-CB 4.06Å; K414-C422 VanDerWaalsContact NZ-CB 3.31Å; K414-C422 PolarHBondContact NZ-SG 3.33Å
415	F	94.9	Very high	92.9	Very high	6 Å²	6	46.4 Å²	46.4	3%	0.026	26%	0.255	C	S	.	.	H	α-helix	trans	-69.3	-36	177.9	173.8	-103.6	0	0	0	113.5	A397 Q411 A412 K413 K423 L425 L437 S438 I439	A397-F415 HydrophobicContact CB-CB 4.05Å; Q411-F415 PolarHBondContact O-N 3.01Å; Q411-F415 VanDerWaalsContact O-N 3.09Å; A412-F415 PolarHBondContact O-N 3.35Å; K413-F415 VanDerWaalsContact C-N 3.34Å; K413-F415 PolarHBondContact O-N 3.25Å; F415-K423 WeakPolarHBondContact CE2-O 3.29Å; F415-L425 HydrophobicContact CD1-CB 4.41Å; F415-L425 HydrophobicContact CD1-CD2 4.16Å; F415-L425 HydrophobicContact CD2-CB 3.64Å; F415-L425 HydrophobicContact CE1-CB 4.36Å; F415-L425 HydrophobicContact CE1-CD2 4.17Å; F415-L425 HydrophobicContact CE2-CB 3.56Å; F415-L425 HydrophobicContact CG-CB 4.06Å; F415-L425 HydrophobicContact CG-CD2 4.47Å; F415-L425 HydrophobicContact CZ-CB 3.95Å; F415-L425 HydrophobicContact CZ-CD2 4.5Å; F415-L437 HydrophobicContact CD1-CD2 4.34Å; F415-S438 WeakPolarHBondContact CE1-O 3.41Å; F415-I439 HydrophobicContact CE1-CG1 3.73Å; F415-I439 HydrophobicContact CZ-CG1 4.03Å
416	N	93.7	Very high	93.2	Very high	42 Å²	42	44.4 Å²	44.4	23%	0.225	24%	0.242	C	C	.	.	H	α-helix	trans	-78.5	-26.2	-177.9	-72.3	-15.5	0	0	0	113.9	A412 K413 P418 N436 L437 S438	A412-N416 VanDerWaalsContact O-CB 3.28Å; A412-N416 WeakPolarHBondContact O-CB 3.43Å; A412-N416 PolarHBondContact O-N 2.99Å; A412-N416 PolarHBondContact O-ND2 3.27Å; K413-N416 PolarHBondContact O-N 2.96Å; N416-P418 WeakPolarHBondContact O-CD 3.46Å; N416-N436 PolarHBondContact ND2-O 3.03Å; N416-L437 WeakPolarHBondContact OD1-CA 3.46Å; N416-S438 PolarHBondContact OD1-N 2.9Å
417	D	92.6	Very high	93.6	Very high	61 Å²	61	43.1 Å²	43.1	33%	0.326	23%	0.229	S	C	.	.			trans	-61.8	120.8	-178.8	-168.3	-38.7	0	0	0	110.1	K413 D419 D420 K423	K413-D417 WeakPolarHBondContact O-CB 3.49Å; K413-D417 PolarHBondContact O-N 3.02Å; D417-D419 PolarHBondContact O-N 2.93Å; D417-D419 PolarHBondContact OD1-N 3.46Å; D417-D420 HydrophobicContact CB-CB 3.98Å; D417-K423 PolarHBondContact O-NZ 3.33Å
418	P	89	Confident	93.7	Very high	93 Å²	93	43.7 Å²	43.7	60%	0.604	23%	0.232	S	C	*	.	S	Bend	trans	-62.5	-26	178.6	-24.3	36	0	0	0	114.4	N416 K423	N416-P418 WeakPolarHBondContact O-CD 3.46Å; P418-K423 WeakPolarHBondContact O-CE 3.31Å; P418-K423 PolarHBondContact O-NZ 3.32Å
419	D	92.3	Very high	93.6	Very high	153 Å²	153	45 Å²	45	82%	0.818	24%	0.24	S	C	*	.	S	Bend	trans	-95.2	-18.4	-172.4	-61.5	-37.2	0	0	0	113.3	D417	D417-D419 PolarHBondContact O-N 2.93Å; D417-D419 PolarHBondContact OD1-N 3.46Å
420	D	92.6	Very high	93.6	Very high	41 Å²	41	42.1 Å²	42.1	22%	0.219	23%	0.23	C	C	.	.	S	Bend	trans	-73.8	134	178.4	-169.3	-61.1	0	0	0	112.2	K414 D417 C422 K423	K414-D420 WeakPolarHBondContact CE-OD1 3.49Å; K414-D420 VanDerWaalsContact CE-OD2 3.29Å; K414-D420 WeakPolarHBondContact CE-OD2 3.4Å; K414-D420 WeakPolarHBondContact CG-OD2 3.27Å; D417-D420 HydrophobicContact CB-CB 3.98Å; D420-C422 PolarHBondContact O-N 2.87Å; D420-C422 VanDerWaalsContact O-N 3.09Å; D420-C422 WeakPolarHBondContact OD1-CB 3.42Å; D420-C422 PolarHBondContact OD1-N 3.24Å; D420-K423 PolarHBondContact O-NZ 2.74Å
421	P	91.1	Very high	93.5	Very high	99 Å²	99	41.2 Å²	41.2	64%	0.643	22%	0.224	S	C	*	.	S	Bend	trans	-63.2	-15.8	179.5	26.4	-36.2	0	0	0	114.9	K423	P421-K423 PolarHBondContact O-N 2.91Å
422	C	93.1	Very high	93.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.222	C	C	.	.			trans	-80.1	74.2	-172.9	-168	0	0	0	0	113.4	E395 A397 K414 D420	E395-C422 HydrophobicContact CB-CB 4.07Å; A397-C422 PolarHBondContact N-SG 2.86Å; K414-C422 HydrophobicContact CD-CB 3.75Å; K414-C422 HydrophobicContact CG-CB 4.06Å; K414-C422 VanDerWaalsContact NZ-CB 3.31Å; K414-C422 PolarHBondContact NZ-SG 3.33Å; D420-C422 PolarHBondContact O-N 2.87Å; D420-C422 VanDerWaalsContact O-N 3.09Å; D420-C422 WeakPolarHBondContact OD1-CB 3.42Å; D420-C422 PolarHBondContact OD1-N 3.24Å
423	K	94.7	Very high	92.7	Very high	49 Å²	49	42 Å²	42	21%	0.213	23%	0.227	C	C	.	.			trans	-96.8	8.5	-172.4	-65	-65	-160.2	-91.6	0	115.9	P370 G371 F415 D417 P418 D420 P421	P370-K423 HydrophobicContact CB-CB 3.74Å; P370-K423 HydrophobicContact CB-CG 4.15Å; P370-K423 HydrophobicContact CG-CB 4.35Å; G371-K423 PolarHBondContact N-O 3.46Å; F415-K423 WeakPolarHBondContact CE2-O 3.29Å; D417-K423 PolarHBondContact O-NZ 3.33Å; P418-K423 WeakPolarHBondContact O-CE 3.31Å; P418-K423 PolarHBondContact O-NZ 3.32Å; D420-K423 PolarHBondContact O-NZ 2.74Å; P421-K423 PolarHBondContact O-N 2.91Å
424	I	96.6	Very high	92.1	Very high	8 Å²	8	35.1 Å²	35.1	4%	0.041	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	137.9	175.3	-52.7	-60.5	0	0	0	109.1	L368 R369 D372 I389 C396 A397	L368-I424 HydrophobicContact CB-CD1 4.04Å; L368-I424 HydrophobicContact CD1-CG2 4.39Å; R369-I424 VanDerWaalsContact O-CD1 3.26Å; R369-I424 WeakPolarHBondContact O-CD1 3.33Å; D372-I424 HydrophobicContact CB-CD1 4.04Å; I389-I424 HydrophobicContact CD1-CG2 4.19Å; C396-I424 CarbonylContact C-O 3.6Å; C396-I424 WeakPolarHBondContact CA-O 3.45Å; C396-I424 HydrophobicContact CB-CB 3.85Å; C396-I424 HydrophobicContact CB-CG2 4.01Å; C396-I424 WeakPolarHBondContact CB-O 3.46Å; A397-I424 PolarHBondContact N-O 2.88Å
425	L	96.7	Very high	91.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	126.6	175.6	174.4	60	0	0	0	110.7	D372 C373 I374 A397 I399 F415 A427 L437 I439	D372-L425 PolarHBondContact O-N 3.46Å; C373-L425 CarbonylContact C-O 3.52Å; C373-L425 VanDerWaalsContact CA-O 3.23Å; C373-L425 WeakPolarHBondContact CA-O 3.36Å; C373-L425 HydrophobicContact CB-CB 4.13Å; C373-L425 HydrophobicContact CB-CD2 4.33Å; C373-L425 HydrophobicContact CB-CG 4.41Å; I374-L425 PolarHBondContact N-O 3.41Å; A397-L425 HydrophobicContact CB-CD1 4.01Å; I399-L425 HydrophobicContact CB-CD1 4.24Å; I399-L425 HydrophobicContact CD1-CD1 3.83Å; I399-L425 HydrophobicContact CD1-CD2 4.45Å; I399-L425 HydrophobicContact CG1-CD1 3.81Å; F415-L425 HydrophobicContact CD1-CB 4.41Å; F415-L425 HydrophobicContact CD1-CD2 4.16Å; F415-L425 HydrophobicContact CD2-CB 3.64Å; F415-L425 HydrophobicContact CE1-CB 4.36Å; F415-L425 HydrophobicContact CE1-CD2 4.17Å; F415-L425 HydrophobicContact CE2-CB 3.56Å; F415-L425 HydrophobicContact CG-CB 4.06Å; F415-L425 HydrophobicContact CG-CD2 4.47Å; F415-L425 HydrophobicContact CZ-CB 3.95Å; F415-L425 HydrophobicContact CZ-CD2 4.5Å; L425-A427 HydrophobicContact CD1-CB 4.22Å; L425-A427 HydrophobicContact CD2-CB 4.46Å; L425-A427 HydrophobicContact CG-CB 4.07Å; L425-L437 HydrophobicContact CD2-CD1 4Å; L425-L437 HydrophobicContact CD2-CD2 4.28Å; L425-I439 HydrophobicContact CD2-CD1 4.28Å; L425-I439 HydrophobicContact CD2-CG1 4.48Å
426	V	96.9	Very high	91.4	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	113.9	172.1	-177.9	0	0	0	0	108.2	I374 I382 L385 I389 C396 A397 V398 I399	I374-V426 HydrophobicContact CD1-CG2 4.43Å; I382-V426 HydrophobicContact CB-CG1 4.36Å; I382-V426 HydrophobicContact CD1-CG1 3.77Å; I382-V426 HydrophobicContact CG2-CG1 4.15Å; L385-V426 HydrophobicContact CB-CG1 4.18Å; L385-V426 HydrophobicContact CD1-CG1 4.3Å; I389-V426 HydrophobicContact CD1-CG2 3.61Å; C396-V426 HydrophobicContact CB-CG2 4.19Å; A397-V426 PolarHBondContact O-N 3.31Å; V398-V426 WeakPolarHBondContact CA-O 3.29Å; I399-V426 PolarHBondContact N-O 3.13Å; I399-V426 VanDerWaalsContact N-O 3.13Å
427	A	96.8	Very high	91.3	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	161.1	-167.2	0	0	0	0	0	114.7	I374 V375 C376 I382 I399 L425 I431	I374-A427 PolarHBondContact O-N 2.65Å; V375-A427 CarbonylContact C-O 3.4Å; V375-A427 WeakPolarHBondContact CA-O 3.44Å; C376-A427 PolarHBondContact N-O 3.03Å; I382-A427 VanDerWaalsContact CD1-C 3.47Å; I399-A427 HydrophobicContact CB-CB 4.17Å; I399-A427 CarbonylContact O-C 3.54Å; I399-A427 WeakPolarHBondContact O-CA 3.37Å; I399-A427 WeakPolarHBondContact O-CB 3.43Å; L425-A427 HydrophobicContact CD1-CB 4.22Å; L425-A427 HydrophobicContact CD2-CB 4.46Å; L425-A427 HydrophobicContact CG-CB 4.07Å; A427-I431 HydrophobicContact CB-CD1 4.3Å; A427-I431 HydrophobicContact CB-CG1 4.48Å; A427-I431 HydrophobicContact CB-CG2 3.61Å
428	T	95.4	Very high	91.3	Very high	12 Å²	12	31.9 Å²	31.9	7%	0.074	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	170.6	168.6	61.2	0	0	0	0	111.9	C376 I382 I399 Y400 G401 A430 I431	C376-T428 VanDerWaalsContact O-CA 3.3Å; C376-T428 WeakPolarHBondContact O-CA 3.3Å; I382-T428 HydrophobicContact CD1-CG2 3.98Å; I382-T428 HydrophobicContact CG1-CG2 4.07Å; I399-T428 PolarHBondContact O-N 2.73Å; Y400-T428 WeakPolarHBondContact CA-OG1 3.38Å; G401-T428 PolarHBondContact N-OG1 2.94Å; T428-A430 PolarHBondContact O-N 3.2Å; T428-A430 WeakPolarHBondContact OG1-CB 3.39Å; T428-I431 PolarHBondContact O-N 3.2Å
429	D	92.5	Very high	91.6	Very high	56 Å²	56	27.5 Å²	27.5	30%	0.299	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-44.4	-23.9	170	60.8	-6.5	0	0	0	115.6	F377 I431 G432 K449 I471	F377-D429 HydrophobicContact CD1-CB 4.36Å; F377-D429 HydrophobicContact CE1-CB 3.97Å; D429-I431 PolarHBondContact O-N 3.47Å; D429-G432 WeakPolarHBondContact O-CA 3.45Å; D429-G432 PolarHBondContact O-N 2.89Å; D429-K449 IonicContact OD2-NZ 2.69Å; D429-K449 PolarHBondContact OD2-NZ 2.93Å; D429-I471 HydrophobicContact CB-CD1 4.06Å
430	A	89.7	Confident	91.7	Very high	32 Å²	32	23.2 Å²	23.2	26%	0.264	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-44	-23	165.7	0	0	0	0	0	116.4	T428 G432	T428-A430 PolarHBondContact O-N 3.2Å; T428-A430 WeakPolarHBondContact OG1-CB 3.39Å; A430-G432 VanDerWaalsContact C-N 3.28Å
431	I	92.1	Very high	92	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-77	-11.8	172.8	64.8	163.4	0	0	0	114.1	C373 V375 I399 A427 T428 D429 M433 L437 I439 I442 R474	C373-I431 VanDerWaalsContact SG-CD1 3.6Å; V375-I431 HydrophobicContact CG2-CD1 4.09Å; I399-I431 HydrophobicContact CB-CG2 4.35Å; I399-I431 HydrophobicContact CG2-CG2 3.96Å; A427-I431 HydrophobicContact CB-CD1 4.3Å; A427-I431 HydrophobicContact CB-CG1 4.48Å; A427-I431 HydrophobicContact CB-CG2 3.61Å; T428-I431 PolarHBondContact O-N 3.2Å; D429-I431 PolarHBondContact O-N 3.47Å; I431-M433 PolarHBondContact O-N 3.32Å; I431-M433 VanDerWaalsContact O-N 3.15Å; I431-L437 HydrophobicContact CB-CD1 3.84Å; I431-L437 HydrophobicContact CG2-CD1 3.68Å; I431-I439 HydrophobicContact CD1-CD1 3.92Å; I431-I442 HydrophobicContact CD1-CD1 4.22Å; I431-R474 VanDerWaalsContact O-CD 3.24Å; I431-R474 WeakPolarHBondContact O-CD 3.36Å; I431-R474 PolarHBondContact O-NE 2.96Å
432	G	85.3	Confident	92.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-61.7	-17.4	179.5	0	0	0	0	0	113.7	D429 A430 Q470 R474	D429-G432 WeakPolarHBondContact O-CA 3.45Å; D429-G432 PolarHBondContact O-N 2.89Å; A430-G432 VanDerWaalsContact C-N 3.28Å; G432-Q470 WeakPolarHBondContact O-CG 3.32Å; G432-R474 PolarHBondContact O-NE 3.22Å; G432-R474 VanDerWaalsContact O-NE 3.09Å; G432-R474 PolarHBondContact O-NH2 3.25Å
433	M	85.6	Confident	92.5	Very high	29 Å²	29	17.2 Å²	17.2	14%	0.143	9%	0.092	C	C	.	.	S	Bend	trans	-149.3	164.8	174.2	44.5	167.1	71.3	0	0	111.3	P236 L237 M299 I431 L435	P236-M433 HydrophobicContact CB-SD 4.39Å; P236-M433 HydrophobicContact CG-SD 4.45Å; L237-M433 HydrophobicContact CD1-CB 4.07Å; L237-M433 HydrophobicContact CD1-CG 3.69Å; L237-M433 HydrophobicContact CD1-SD 3.69Å; L237-M433 HydrophobicContact CD2-SD 4.28Å; L237-M433 HydrophobicContact CG-SD 3.93Å; M299-M433 HydrophobicContact SD-CE 4.26Å; I431-M433 PolarHBondContact O-N 3.32Å; I431-M433 VanDerWaalsContact O-N 3.15Å; M433-L435 PolarHBondContact O-N 3.2Å; M433-L435 VanDerWaalsContact O-N 3.16Å
434	G	79.9	Confident	92.7	Very high	6 Å²	6	14.9 Å²	14.9	6%	0.062	8%	0.082	C	C	.	.	S	Bend	trans	75	-1.6	166.5	0	0	0	0	0	119.8	L239	L239-G434 WeakPolarHBondContact CB-O 3.2Å
435	L	86.3	Confident	92.7	Very high	8 Å²	8	15.5 Å²	15.5	4%	0.042	9%	0.086	C	C	.	.			trans	-132.7	141.9	173.3	-69.5	171.7	0	0	0	112.3	L239 I399 L409 A412 M433 L437 R474 R477	L239-L435 HydrophobicContact CD1-CD2 4Å; L239-L435 HydrophobicContact CD1-CG 4.24Å; I399-L435 HydrophobicContact CD1-CD1 4.06Å; I399-L435 HydrophobicContact CG2-CD1 3.9Å; L409-L435 HydrophobicContact CD2-CD2 4.05Å; A412-L435 HydrophobicContact CB-CD2 4.45Å; M433-L435 PolarHBondContact O-N 3.2Å; M433-L435 VanDerWaalsContact O-N 3.16Å; L435-L437 HydrophobicContact CB-CD1 4.15Å; L435-L437 HydrophobicContact CB-CG 4.03Å; L435-R474 PolarHBondContact O-NH1 3.31Å; L435-R477 PolarHBondContact O-NH1 2.94Å
436	N	86.1	Confident	92.6	Very high	67 Å²	67	17.3 Å²	17.3	36%	0.358	10%	0.099	S	C	.	.			trans	-88.6	111.6	166.4	-169.9	33.4	0	0	0	109.1	N416 S479	N416-N436 PolarHBondContact ND2-O 3.03Å; N436-S479 PolarHBondContact OD1-OG 2.67Å
437	L	91.3	Very high	92.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.1	C	C	.	.			trans	-129.9	133	-174.8	-65.6	169	0	0	0	109.9	I399 A412 F415 N416 L425 I431 L435 I439	I399-L437 HydrophobicContact CD1-CD2 4.12Å; A412-L437 HydrophobicContact CB-CD2 3.58Å; F415-L437 HydrophobicContact CD1-CD2 4.34Å; N416-L437 WeakPolarHBondContact OD1-CA 3.46Å; L425-L437 HydrophobicContact CD2-CD1 4Å; L425-L437 HydrophobicContact CD2-CD2 4.28Å; I431-L437 HydrophobicContact CB-CD1 3.84Å; I431-L437 HydrophobicContact CG2-CD1 3.68Å; L435-L437 HydrophobicContact CB-CD1 4.15Å; L435-L437 HydrophobicContact CB-CG 4.03Å; L437-I439 VanDerWaalsContact C-N 3.32Å; L437-I439 HydrophobicContact CB-CD1 4.03Å; L437-I439 HydrophobicContact CB-CG1 3.99Å; L437-I439 HydrophobicContact CD1-CD1 4.2Å; L437-I439 PolarHBondContact O-N 2.72Å
438	S	93.1	Very high	92.2	Very high	17 Å²	17	19.8 Å²	19.8	12%	0.119	11%	0.113	C	C	.	.			trans	-89.3	63.6	178.5	-69.8	0	0	0	0	110.9	F415 N416 S480 F482	F415-S438 WeakPolarHBondContact CE1-O 3.41Å; N416-S438 PolarHBondContact OD1-N 2.9Å; S438-S480 WeakPolarHBondContact OG-CB 3.19Å; S438-F482 VanDerWaalsContact O-CE2 3.26Å; S438-F482 WeakPolarHBondContact O-CE2 3.43Å
439	I	95.4	Very high	91.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-84.3	132.3	-179.7	-60.8	169.2	0	0	0	109.3	C373 F415 L425 I431 L437 I442 R474 G476	C373-I439 HydrophobicContact CB-CB 4.41Å; C373-I439 HydrophobicContact CB-CD1 3.76Å; C373-I439 HydrophobicContact CB-CG1 3.91Å; C373-I439 HydrophobicContact CB-CG2 3.63Å; F415-I439 HydrophobicContact CE1-CG1 3.73Å; F415-I439 HydrophobicContact CZ-CG1 4.03Å; L425-I439 HydrophobicContact CD2-CD1 4.28Å; L425-I439 HydrophobicContact CD2-CG1 4.48Å; I431-I439 HydrophobicContact CD1-CD1 3.92Å; L437-I439 VanDerWaalsContact C-N 3.32Å; L437-I439 HydrophobicContact CB-CD1 4.03Å; L437-I439 HydrophobicContact CB-CG1 3.99Å; L437-I439 HydrophobicContact CD1-CD1 4.2Å; L437-I439 PolarHBondContact O-N 2.72Å; I439-I442 HydrophobicContact CD1-CD1 3.99Å; I439-I442 HydrophobicContact CG2-CD1 3.98Å; I439-I442 HydrophobicContact CG2-CG1 4.06Å; I439-R474 HydrophobicContact CD1-CB 4.23Å; I439-G476 PolarHBondContact O-N 3.24Å
440	K	95.4	Very high	91.3	Very high	63 Å²	63	21.3 Å²	21.3	27%	0.274	12%	0.122	S	C	.	.	S	Bend	trans	-86.6	-52.7	169.3	-169.8	-174.2	176.7	-152.2	0	111.3	G371 F482 E486	G371-K440 PolarHBondContact O-N 2.8Å; K440-F482 HydrophobicContact CB-CB 4.44Å; K440-F482 HydrophobicContact CB-CD1 3.81Å; K440-F482 HydrophobicContact CB-CD2 3.74Å; K440-F482 HydrophobicContact CB-CE1 3.92Å; K440-F482 HydrophobicContact CB-CE2 3.86Å; K440-F482 HydrophobicContact CB-CG 3.72Å; K440-F482 HydrophobicContact CB-CZ 3.94Å; K440-F482 HydrophobicContact CD-CD1 3.89Å; K440-F482 HydrophobicContact CD-CE1 3.93Å; K440-F482 HydrophobicContact CG-CB 4.36Å; K440-F482 HydrophobicContact CG-CD1 3.71Å; K440-F482 HydrophobicContact CG-CD2 4.45Å; K440-F482 HydrophobicContact CG-CE1 4.08Å; K440-F482 HydrophobicContact CG-CG 3.91Å; K440-E486 WeakPolarHBondContact CE-OE1 3.42Å; K440-E486 IonicContact NZ-OE1 3.63Å; K440-E486 PolarHBondContact NZ-OE1 3.36Å; K440-E486 PolarHBondContact O-N 3.04Å
441	R	97.4	Very high	90.5	Very high	14 Å²	14	22.4 Å²	22.4	5%	0.053	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	124.9	-174.4	-179.1	167.3	60.8	159.8	2.1	111.1	N367 R369 G371 D372 C373 I443 E486 T488	N367-R441 PolarHBondContact O-NH2 2.74Å; R369-R441 VanDerWaalsContact NH2-NE 3.18Å; G371-R441 PolarHBondContact O-N 3.21Å; D372-R441 VanDerWaalsContact CG-NH2 3.35Å; D372-R441 VanDerWaalsContact OD1-CB 3.32Å; D372-R441 WeakPolarHBondContact OD1-CB 3.27Å; D372-R441 IonicContact OD1-CZ 2.77Å; D372-R441 IonicContact OD1-NE 2.68Å; D372-R441 PolarHBondContact OD1-NE 2.81Å; D372-R441 IonicContact OD1-NH2 3.12Å; D372-R441 PolarHBondContact OD1-NH2 3.39Å; D372-R441 IonicContact OD2-CZ 3.76Å; D372-R441 IonicContact OD2-NE 3.81Å; D372-R441 IonicContact OD2-NH2 2.79Å; D372-R441 PolarHBondContact OD2-NH2 2.58Å; C373-R441 PolarHBondContact N-O 3.5Å; R441-I443 HydrophobicContact CG-CG1 4.04Å; R441-E486 CarbonylContact C-O 3.58Å; R441-E486 VanDerWaalsContact CA-O 3.24Å; R441-E486 WeakPolarHBondContact CA-O 3.28Å; R441-E486 HydrophobicContact CB-CB 3.85Å; R441-E486 HydrophobicContact CG-CB 3.79Å; R441-T488 HydrophobicContact CG-CG2 4.3Å
442	I	97.9	Very high	89.3	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	131.7	168.3	-71.3	-76.6	0	0	0	108.7	C373 V375 I431 I439 F444 I471 R474 A475 E486 V487 T488	C373-I442 HydrophobicContact CB-CD1 4.19Å; V375-I442 HydrophobicContact CG2-CD1 4.06Å; V375-I442 HydrophobicContact CG2-CG2 4.2Å; I431-I442 HydrophobicContact CD1-CD1 4.22Å; I439-I442 HydrophobicContact CD1-CD1 3.99Å; I439-I442 HydrophobicContact CG2-CD1 3.98Å; I439-I442 HydrophobicContact CG2-CG1 4.06Å; I442-F444 HydrophobicContact CG2-CD2 3.94Å; I442-F444 HydrophobicContact CG2-CE2 3.63Å; I442-F444 HydrophobicContact CG2-CZ 4.17Å; I442-I471 HydrophobicContact CD1-CG2 4.4Å; I442-I471 HydrophobicContact CG2-CG2 4.12Å; I442-R474 HydrophobicContact CD1-CB 4.36Å; I442-A475 HydrophobicContact CG1-CB 3.95Å; I442-E486 PolarHBondContact N-O 3.14Å; I442-V487 HydrophobicContact CB-CG2 4.37Å; I442-V487 HydrophobicContact CG2-CG1 4.43Å; I442-V487 WeakPolarHBondContact O-CA 3.46Å; I442-T488 PolarHBondContact O-N 3.48Å
443	I	98.3	Very high	88.3	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	108	178.7	-53.8	162.2	0	0	0	107.4	V362 L368 D372 C373 I374 V375 R441 N445 T488 M490	V362-I443 HydrophobicContact CB-CG2 4.34Å; V362-I443 HydrophobicContact CG2-CB 4.41Å; V362-I443 HydrophobicContact CG2-CD1 3.83Å; V362-I443 HydrophobicContact CG2-CG1 3.81Å; V362-I443 HydrophobicContact CG2-CG2 3.7Å; L368-I443 HydrophobicContact CD2-CD1 3.78Å; D372-I443 HydrophobicContact CB-CD1 3.83Å; C373-I443 PolarHBondContact O-N 3.38Å; I374-I443 CarbonylContact C-O 3.6Å; I374-I443 WeakPolarHBondContact CA-O 3.46Å; I374-I443 HydrophobicContact CG1-CB 4.43Å; I374-I443 HydrophobicContact CG1-CD1 4.13Å; V375-I443 PolarHBondContact N-O 2.62Å; R441-I443 HydrophobicContact CG-CG1 4.04Å; I443-N445 PolarHBondContact O-N 2.94Å; I443-T488 CarbonylContact C-O 3.52Å; I443-T488 WeakPolarHBondContact CA-O 3.44Å; I443-T488 HydrophobicContact CG1-CG2 4.16Å; I443-M490 HydrophobicContact CG2-CB 4.32Å; I443-M490 HydrophobicContact CG2-CE 4.07Å
444	F	98	Very high	86.9	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	118	172.9	-71.5	-91.1	0	0	0	109.5	F377 I442 S446 L447 I463 I471 V487 T488 T489 M490 L498	F377-F444 HydrophobicContact CE2-CD1 4.36Å; F377-F444 HydrophobicContact CZ-CD1 4.33Å; F377-F444 HydrophobicContact CZ-CE1 4.45Å; I442-F444 HydrophobicContact CG2-CD2 3.94Å; I442-F444 HydrophobicContact CG2-CE2 3.63Å; I442-F444 HydrophobicContact CG2-CZ 4.17Å; F444-S446 VanDerWaalsContact C-N 3.3Å; F444-L447 HydrophobicContact CB-CD2 3.82Å; F444-L447 HydrophobicContact CD1-CD2 4.09Å; F444-L447 HydrophobicContact CG-CD2 3.93Å; F444-I463 HydrophobicContact CD1-CD1 3.95Å; F444-I463 HydrophobicContact CE1-CD1 3.65Å; F444-I463 HydrophobicContact CZ-CD1 4.46Å; F444-I471 HydrophobicContact CE1-CB 4.18Å; F444-I471 HydrophobicContact CE1-CD1 4.18Å; F444-I471 HydrophobicContact CE1-CG2 3.78Å; F444-I471 HydrophobicContact CZ-CB 3.99Å; F444-I471 HydrophobicContact CZ-CG2 3.65Å; F444-V487 HydrophobicContact CD2-CG1 4.4Å; F444-V487 HydrophobicContact CE2-CG1 3.96Å; F444-T488 PolarHBondContact N-O 3.13Å; F444-T489 HydrophobicContact CB-CG2 4.4Å; F444-T489 CarbonylContact O-C 3.59Å; F444-T489 WeakPolarHBondContact O-CA 3.36Å; F444-M490 PolarHBondContact O-N 2.73Å; F444-L498 HydrophobicContact CD2-CD1 3.91Å; F444-L498 HydrophobicContact CD2-CD2 3.62Å; F444-L498 HydrophobicContact CD2-CG 4.45Å; F444-L498 HydrophobicContact CE2-CD1 3.81Å; F444-L498 HydrophobicContact CE2-CD2 4.08Å; F444-L498 HydrophobicContact CG-CD2 4.49Å; F444-L498 HydrophobicContact CZ-CD1 4.35Å
445	N	96.8	Very high	85.7	Confident	22 Å²	22	45.4 Å²	45.4	12%	0.118	23%	0.23	C	C	.	.	S	Bend	trans	-70.3	-30.3	177.9	-171.4	72.4	0	0	0	112.5	I374 V375 L385 I443	I374-N445 HydrophobicContact CG2-CB 3.93Å; V375-N445 VanDerWaalsContact O-CB 3.29Å; V375-N445 WeakPolarHBondContact O-CB 3.3Å; V375-N445 PolarHBondContact O-N 2.77Å; L385-N445 HydrophobicContact CD1-CB 4.38Å; I443-N445 PolarHBondContact O-N 2.94Å
446	S	94.2	Very high	84.5	Confident	38 Å²	38	47.6 Å²	47.6	27%	0.266	25%	0.254	S	S	.	.			trans	-154.1	165.3	170.4	-179.2	0	0	0	0	107.1	F377 F444 V448	F377-S446 VanDerWaalsContact CE2-O 3.26Å; F377-S446 WeakPolarHBondContact CE2-O 3.34Å; F444-S446 VanDerWaalsContact C-N 3.3Å; S446-V448 PolarHBondContact OG-N 2.64Å
447	L	94.3	Very high	83.6	Confident	4 Å²	4	49.6 Å²	49.6	2%	0.021	26%	0.261	C	S	.	.	S	Bend	trans	-103.4	8.7	171.4	-58.2	175.8	0	0	0	112.8	F444 T462 I463 D494 V497 L498 I501	F444-L447 HydrophobicContact CB-CD2 3.82Å; F444-L447 HydrophobicContact CD1-CD2 4.09Å; F444-L447 HydrophobicContact CG-CD2 3.93Å; L447-T462 WeakPolarHBondContact O-CA 3.27Å; L447-I463 HydrophobicContact CD2-CD1 4.01Å; L447-I463 PolarHBondContact O-N 3.16Å; L447-D494 HydrophobicContact CD1-CB 3.96Å; L447-D494 WeakPolarHBondContact CD1-O 3.32Å; L447-D494 HydrophobicContact CG-CB 4.2Å; L447-V497 HydrophobicContact CD1-CB 3.78Å; L447-V497 HydrophobicContact CD1-CG1 3.82Å; L447-L498 HydrophobicContact CD1-CB 3.95Å; L447-L498 HydrophobicContact CD2-CB 4.19Å; L447-L498 HydrophobicContact CD2-CD1 3.9Å; L447-L498 HydrophobicContact CD2-CG 4.49Å; L447-I501 HydrophobicContact CD1-CD1 4.39Å
448	V	91.8	Very high	82.5	Confident	47 Å²	47	57.9 Å²	57.9	29%	0.285	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	130.6	-173.3	178.1	0	0	0	0	110.4	F377 S446 M460 E461	F377-V448 WeakPolarHBondContact CD2-O 3.49Å; S446-V448 PolarHBondContact OG-N 2.64Å; V448-M460 HydrophobicContact CG1-CB 3.55Å; V448-M460 HydrophobicContact CG1-CG 4.1Å; V448-M460 HydrophobicContact CG1-SD 3.79Å; V448-E461 CarbonylContact C-O 3.56Å; V448-E461 WeakPolarHBondContact CA-O 3.3Å
449	K	87.4	Confident	81.8	Confident	47 Å²	47	61.1 Å²	61.1	20%	0.204	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	129.4	177.4	-176.5	167.2	175.3	167.6	0	110.4	F377 D429 N451 E461 I463	F377-K449 HydrophobicContact CB-CB 4.24Å; F377-K449 HydrophobicContact CB-CG 4.29Å; F377-K449 HydrophobicContact CD1-CB 4.27Å; F377-K449 HydrophobicContact CD1-CD 4.16Å; F377-K449 HydrophobicContact CD1-CG 4.26Å; F377-K449 HydrophobicContact CG-CB 4.21Å; F377-K449 HydrophobicContact CG-CG 4.48Å; D429-K449 IonicContact OD2-NZ 2.69Å; D429-K449 PolarHBondContact OD2-NZ 2.93Å; K449-N451 PolarHBondContact O-N 2.63Å; K449-N451 VanDerWaalsContact O-N 3.15Å; K449-E461 PolarHBondContact N-O 3.38Å; K449-E461 PolarHBondContact O-N 3.5Å; K449-I463 HydrophobicContact CB-CG2 4.33Å
450	P	80.3	Confident	81	Confident	53 Å²	53	67.8 Å²	67.8	34%	0.344	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	100.2	175	30	-32.8	0	0	0	110.3	Q459 M460	P450-Q459 WeakPolarHBondContact CA-O 3.33Å; P450-M460 HydrophobicContact CB-SD 3.86Å
451	N	74.3	Confident	80.6	Confident	56 Å²	56	68.8 Å²	68.8	30%	0.299	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	163.8	172	-75.1	-21.6	0	0	0	110.6	K449 K458 Q459 E461	K449-N451 PolarHBondContact O-N 2.63Å; K449-N451 VanDerWaalsContact O-N 3.15Å; N451-K458 WeakPolarHBondContact O-CA 3.48Å; N451-Q459 PolarHBondContact N-O 3.14Å; N451-Q459 PolarHBondContact O-N 3.41Å; N451-E461 PolarHBondContact ND2-OE2 2.97Å
452	I	66.8	Low	80.3	Confident	89 Å²	89	72.9 Å²	72.9	46%	0.456	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	116	176	-59.1	175.9	0	0	0	106.3	E457 K458	I452-E457 WeakPolarHBondContact CA-O 3.48Å; I452-K458 HydrophobicContact CG1-CG 4.48Å
453	N	64	Low	80.1	Confident	49 Å²	49	73.1 Å²	73.1	26%	0.262	38%	0.377	S	S	.	.			trans	-74.4	169.1	179.9	-65.2	57.9	0	0	0	110.5	K455 G456 E457 Q459	N453-K455 PolarHBondContact O-N 3.42Å; N453-G456 PolarHBondContact O-N 3.15Å; N453-E457 PolarHBondContact N-O 3.14Å; N453-Q459 PolarHBondContact ND2-NE2 2.97Å; N453-Q459 PolarHBondContact ND2-OE1 3.14Å; N453-Q459 WeakPolarHBondContact OD1-CB 3.19Å; N453-Q459 WeakPolarHBondContact OD1-CG 3.33Å
454	E	56.7	Low	79.8	Confident	204 Å²	204	75.7 Å²	75.7	95%	0.953	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	-27.6	177.6	-59.9	173.6	169.8	0	0	113.8	G456	E454-G456 VanDerWaalsContact C-N 3.31Å; E454-G456 PolarHBondContact O-N 3.42Å
455	K	54.9	Low	79.6	Confident	176 Å²	176	76.7 Å²	76.7	77%	0.765	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-0.4	177	-62.2	-177.7	-178.7	176.2	0	115	N453 E457	N453-K455 PolarHBondContact O-N 3.42Å; K455-E457 HydrophobicContact CB-CG 4.26Å; K455-E457 PolarHBondContact O-N 3.35Å
456	G	60.2	Low	79.3	Confident	54 Å²	54	76.9 Å²	76.9	56%	0.557	40%	0.404	S	S	*	.	S	Bend	trans	77.6	1.4	-173.5	0	0	0	0	0	114.8	N453 E454	N453-G456 PolarHBondContact O-N 3.15Å; E454-G456 VanDerWaalsContact C-N 3.31Å; E454-G456 PolarHBondContact O-N 3.42Å
457	E	66.6	Low	79.2	Confident	109 Å²	109	78.5 Å²	78.5	51%	0.509	41%	0.407	S	S	.	.			trans	-76.8	139.6	178	-66.4	174.1	174.3	0	0	110.9	I452 N453 K455 Q459	I452-E457 WeakPolarHBondContact CA-O 3.48Å; N453-E457 PolarHBondContact N-O 3.14Å; K455-E457 HydrophobicContact CB-CG 4.26Å; K455-E457 PolarHBondContact O-N 3.35Å; E457-Q459 PolarHBondContact O-N 2.8Å
458	K	69.4	Low	79.2	Confident	174 Å²	174	78.3 Å²	78.3	76%	0.757	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	116.5	172.9	-69.7	-178.9	-179.1	177.7	0	109.7	N451 I452	N451-K458 WeakPolarHBondContact O-CA 3.48Å; I452-K458 HydrophobicContact CG1-CG 4.48Å
459	Q	77.1	Confident	79.2	Confident	84 Å²	84	78.7 Å²	78.7	39%	0.393	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	153.7	167.1	-63.5	-172.9	9.4	0	0	110.8	P450 N451 N453 E457	P450-Q459 WeakPolarHBondContact CA-O 3.33Å; N451-Q459 PolarHBondContact N-O 3.14Å; N451-Q459 PolarHBondContact O-N 3.41Å; N453-Q459 PolarHBondContact ND2-NE2 2.97Å; N453-Q459 PolarHBondContact ND2-OE1 3.14Å; N453-Q459 WeakPolarHBondContact OD1-CB 3.19Å; N453-Q459 WeakPolarHBondContact OD1-CG 3.33Å; E457-Q459 PolarHBondContact O-N 2.8Å
460	M	80.3	Confident	79.4	Confident	141 Å²	141	78.3 Å²	78.3	70%	0.695	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	99.9	-177.5	-76.6	-56.9	-139.2	0	0	107.1	V448 P450	V448-M460 HydrophobicContact CG1-CB 3.55Å; V448-M460 HydrophobicContact CG1-CG 4.1Å; V448-M460 HydrophobicContact CG1-SD 3.79Å; P450-M460 HydrophobicContact CB-SD 3.86Å
461	E	87.2	Confident	80.1	Confident	84 Å²	84	76 Å²	76	39%	0.393	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	141	-176.2	-69.2	179.4	170.2	0	0	110.4	V448 K449 N451	V448-E461 CarbonylContact C-O 3.56Å; V448-E461 WeakPolarHBondContact CA-O 3.3Å; K449-E461 PolarHBondContact N-O 3.38Å; K449-E461 PolarHBondContact O-N 3.5Å; N451-E461 PolarHBondContact ND2-OE2 2.97Å
462	T	90.3	Very high	81	Confident	99 Å²	99	73.3 Å²	73.3	61%	0.607	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	141.1	172.1	47.1	0	0	0	0	110.5	L447	L447-T462 WeakPolarHBondContact O-CA 3.27Å
463	I	93.6	Very high	82.2	Confident	5 Å²	5	69.1 Å²	69.1	3%	0.026	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-61.4	142.1	177.1	60.6	176.9	0	0	0	112.2	F377 F444 L447 K449 A468 I501	F377-I463 HydrophobicContact CD1-CG2 4.45Å; F377-I463 HydrophobicContact CD2-CG2 4.41Å; F377-I463 HydrophobicContact CE1-CG2 3.83Å; F377-I463 HydrophobicContact CE2-CD1 4.44Å; F377-I463 HydrophobicContact CE2-CG2 3.81Å; F377-I463 HydrophobicContact CZ-CD1 4.14Å; F377-I463 HydrophobicContact CZ-CG2 3.51Å; F444-I463 HydrophobicContact CD1-CD1 3.95Å; F444-I463 HydrophobicContact CE1-CD1 3.65Å; F444-I463 HydrophobicContact CZ-CD1 4.46Å; L447-I463 HydrophobicContact CD2-CD1 4.01Å; L447-I463 PolarHBondContact O-N 3.16Å; K449-I463 HydrophobicContact CB-CG2 4.33Å; I463-A468 HydrophobicContact CD1-CB 3.96Å; I463-A468 HydrophobicContact CG1-CB 4.4Å; I463-I501 HydrophobicContact CG1-CD1 4.42Å
464	S	92.3	Very high	83.5	Confident	54 Å²	54	67.6 Å²	67.6	38%	0.378	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-70.7	155.9	176.3	63.1	0	0	0	0	112.2	S466 Q467 A468	S464-S466 VanDerWaalsContact C-N 3.32Å; S464-S466 PolarHBondContact O-N 3.11Å; S464-Q467 VanDerWaalsContact N-OE1 3.08Å; S464-Q467 PolarHBondContact O-N 2.86Å; S464-Q467 WeakPolarHBondContact OG-CB 3.41Å; S464-Q467 VanDerWaalsContact OG-CG 3.25Å; S464-Q467 WeakPolarHBondContact OG-CG 3.39Å; S464-Q467 PolarHBondContact OG-N 3.39Å; S464-Q467 PolarHBondContact OG-OE1 3.18Å; S464-A468 WeakPolarHBondContact O-CB 3.37Å; S464-A468 PolarHBondContact O-N 3.47Å
465	T	93.3	Very high	85.2	Confident	21 Å²	21	57.9 Å²	57.9	13%	0.129	30%	0.3	C	S	.	.	H	α-helix	trans	-57.3	-39.9	175.8	-64.8	0	0	0	0	112.9	A468 L469 I501 H504 V506	T465-A468 PolarHBondContact O-N 2.94Å; T465-L469 HydrophobicContact CG2-CD1 3.71Å; T465-L469 HydrophobicContact CG2-CG 4.31Å; T465-L469 WeakPolarHBondContact O-CB 3.27Å; T465-L469 VanDerWaalsContact O-CG 3.28Å; T465-L469 WeakPolarHBondContact O-CG 3.38Å; T465-L469 PolarHBondContact O-N 3.04Å; T465-I501 WeakPolarHBondContact CB-O 3.08Å; T465-I501 WeakPolarHBondContact CG2-O 3.39Å; T465-I501 PolarHBondContact OG1-O 3.45Å; T465-H504 HydrophobicContact CG2-CB 4.35Å; T465-H504 WeakPolarHBondContact CG2-O 3.39Å; T465-V506 HydrophobicContact CG2-CG2 4.04Å
466	S	90.1	Very high	86.6	Confident	27 Å²	27	49.5 Å²	49.5	19%	0.189	26%	0.264	C	S	.	.	H	α-helix	trans	-63.8	-44.8	176.1	-177.3	0	0	0	0	111.6	E326 S464 A468 L469 Q470	E326-S466 PolarHBondContact OE2-OG 3.18Å; S464-S466 VanDerWaalsContact C-N 3.32Å; S464-S466 PolarHBondContact O-N 3.11Å; S466-A468 PolarHBondContact O-N 3.39Å; S466-L469 PolarHBondContact O-N 3.16Å; S466-Q470 VanDerWaalsContact O-CB 3.25Å; S466-Q470 WeakPolarHBondContact O-CB 3.48Å; S466-Q470 PolarHBondContact O-N 3.22Å
467	Q	91.9	Very high	87.7	Confident	71 Å²	71	49.3 Å²	49.3	33%	0.332	25%	0.246	S	C	.	.	H	α-helix	trans	-61.8	-45.4	174.6	-73.2	162.3	-24.4	0	0	112	S464 Q470 I471	S464-Q467 VanDerWaalsContact N-OE1 3.08Å; S464-Q467 PolarHBondContact O-N 2.86Å; S464-Q467 WeakPolarHBondContact OG-CB 3.41Å; S464-Q467 VanDerWaalsContact OG-CG 3.25Å; S464-Q467 WeakPolarHBondContact OG-CG 3.39Å; S464-Q467 PolarHBondContact OG-N 3.39Å; S464-Q467 PolarHBondContact OG-OE1 3.18Å; Q467-Q470 PolarHBondContact O-N 3.28Å; Q467-I471 WeakPolarHBondContact O-CB 3.33Å; Q467-I471 VanDerWaalsContact O-CG1 3.29Å; Q467-I471 WeakPolarHBondContact O-CG1 3.47Å; Q467-I471 PolarHBondContact O-N 3.11Å
468	A	94.5	Very high	88.3	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.4	-46.4	178.3	0	0	0	0	0	111.5	I463 S464 T465 S466 I471 A472 I501 L502	I463-A468 HydrophobicContact CD1-CB 3.96Å; I463-A468 HydrophobicContact CG1-CB 4.4Å; S464-A468 WeakPolarHBondContact O-CB 3.37Å; S464-A468 PolarHBondContact O-N 3.47Å; T465-A468 PolarHBondContact O-N 2.94Å; S466-A468 PolarHBondContact O-N 3.39Å; A468-I471 PolarHBondContact O-N 2.9Å; A468-A472 WeakPolarHBondContact O-CB 3.47Å; A468-A472 PolarHBondContact O-N 3.04Å; A468-I501 HydrophobicContact CB-CG2 3.63Å; A468-L502 HydrophobicContact CB-CD2 3.82Å
469	L	92.6	Very high	88.6	Confident	56 Å²	56	45 Å²	45	29%	0.293	23%	0.234	S	C	.	.	H	α-helix	trans	-65.9	-39.2	176.2	-73.3	167.8	0	0	0	112.7	T465 S466 I471 G473 L502 V506	T465-L469 HydrophobicContact CG2-CD1 3.71Å; T465-L469 HydrophobicContact CG2-CG 4.31Å; T465-L469 WeakPolarHBondContact O-CB 3.27Å; T465-L469 VanDerWaalsContact O-CG 3.28Å; T465-L469 WeakPolarHBondContact O-CG 3.38Å; T465-L469 PolarHBondContact O-N 3.04Å; S466-L469 PolarHBondContact O-N 3.16Å; L469-I471 VanDerWaalsContact C-N 3.34Å; L469-I471 PolarHBondContact O-N 3.42Å; L469-G473 PolarHBondContact O-N 3.01Å; L469-L502 HydrophobicContact CD2-CD2 3.79Å; L469-L502 HydrophobicContact CG-CD2 4Å; L469-V506 HydrophobicContact CD1-CG2 3.68Å
470	Q	91.5	Very high	88.7	Confident	38 Å²	38	41.5 Å²	41.5	18%	0.178	22%	0.219	C	C	.	.	H	α-helix	trans	-64.6	-39.5	178.7	-171.8	-178.6	44.7	0	0	111.7	T213 G432 S466 Q467	T213-Q470 HydrophobicContact CG2-CG 4.21Å; G432-Q470 WeakPolarHBondContact O-CG 3.32Å; S466-Q470 VanDerWaalsContact O-CB 3.25Å; S466-Q470 WeakPolarHBondContact O-CB 3.48Å; S466-Q470 PolarHBondContact O-N 3.22Å; Q467-Q470 PolarHBondContact O-N 3.28Å
471	I	94.5	Very high	88.8	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-74	-53.5	175.4	-66.1	165.8	0	0	0	110.8	V375 F377 D429 I442 F444 Q467 A468 L469 G473 R474	V375-I471 HydrophobicContact CB-CG2 4.34Å; V375-I471 HydrophobicContact CG1-CD1 4.34Å; V375-I471 HydrophobicContact CG1-CG2 4.04Å; V375-I471 HydrophobicContact CG2-CG2 3.82Å; F377-I471 HydrophobicContact CE1-CD1 4.21Å; F377-I471 HydrophobicContact CZ-CD1 4.18Å; D429-I471 HydrophobicContact CB-CD1 4.06Å; I442-I471 HydrophobicContact CD1-CG2 4.4Å; I442-I471 HydrophobicContact CG2-CG2 4.12Å; F444-I471 HydrophobicContact CE1-CB 4.18Å; F444-I471 HydrophobicContact CE1-CD1 4.18Å; F444-I471 HydrophobicContact CE1-CG2 3.78Å; F444-I471 HydrophobicContact CZ-CB 3.99Å; F444-I471 HydrophobicContact CZ-CG2 3.65Å; Q467-I471 WeakPolarHBondContact O-CB 3.33Å; Q467-I471 VanDerWaalsContact O-CG1 3.29Å; Q467-I471 WeakPolarHBondContact O-CG1 3.47Å; Q467-I471 PolarHBondContact O-N 3.11Å; A468-I471 PolarHBondContact O-N 2.9Å; L469-I471 VanDerWaalsContact C-N 3.34Å; L469-I471 PolarHBondContact O-N 3.42Å; I471-G473 VanDerWaalsContact C-N 3.28Å; I471-G473 PolarHBondContact O-N 2.94Å; I471-R474 VanDerWaalsContact O-CB 3.24Å; I471-R474 WeakPolarHBondContact O-CB 3.5Å; I471-R474 WeakPolarHBondContact O-CG 3.35Å; I471-R474 PolarHBondContact O-N 3.44Å
472	A	94.2	Very high	88.7	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-56.1	-42.1	-179.4	0	0	0	0	0	112.1	F355 A468 R474 A475 V487 L502	F355-A472 HydrophobicContact CE2-CB 4.18Å; F355-A472 HydrophobicContact CZ-CB 4.16Å; A468-A472 WeakPolarHBondContact O-CB 3.47Å; A468-A472 PolarHBondContact O-N 3.04Å; A472-R474 PolarHBondContact O-N 3.42Å; A472-A475 WeakPolarHBondContact O-CB 3.47Å; A472-A475 PolarHBondContact O-N 3.29Å; A472-V487 HydrophobicContact CB-CG1 4.06Å; A472-V487 HydrophobicContact CB-CG2 3.97Å; A472-L502 HydrophobicContact CB-CD2 4.25Å
473	G	90.4	Very high	88.4	Confident	2 Å²	2	40.6 Å²	40.6	2%	0.021	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-2.4	178.3	0	0	0	0	0	115.4	T213 R351 L469 I471	T213-G473 WeakPolarHBondContact OG1-CA 3.41Å; R351-G473 PolarHBondContact NH2-O 2.75Å; L469-G473 PolarHBondContact O-N 3.01Å; I471-G473 VanDerWaalsContact C-N 3.28Å; I471-G473 PolarHBondContact O-N 2.94Å
474	R	91.3	Very high	88.1	Confident	17 Å²	17	46.8 Å²	46.8	6%	0.064	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-17.5	168.7	-60.9	-77.8	155.4	178.9	-15.8	113.2	I431 G432 L435 I439 I442 I471 A472 R477	I431-R474 VanDerWaalsContact O-CD 3.24Å; I431-R474 WeakPolarHBondContact O-CD 3.36Å; I431-R474 PolarHBondContact O-NE 2.96Å; G432-R474 PolarHBondContact O-NE 3.22Å; G432-R474 VanDerWaalsContact O-NE 3.09Å; G432-R474 PolarHBondContact O-NH2 3.25Å; L435-R474 PolarHBondContact O-NH1 3.31Å; I439-R474 HydrophobicContact CD1-CB 4.23Å; I442-R474 HydrophobicContact CD1-CB 4.36Å; I471-R474 VanDerWaalsContact O-CB 3.24Å; I471-R474 WeakPolarHBondContact O-CB 3.5Å; I471-R474 WeakPolarHBondContact O-CG 3.35Å; I471-R474 PolarHBondContact O-N 3.44Å; A472-R474 PolarHBondContact O-N 3.42Å; R474-R477 VanDerWaalsContact NH1-NH1 3.18Å
475	A	92.2	Very high	88.2	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-72.2	128.8	176.4	0	0	0	0	0	112.3	R351 I442 A472 V487	R351-A475 PolarHBondContact NH2-O 3.26Å; I442-A475 HydrophobicContact CG1-CB 3.95Å; A472-A475 WeakPolarHBondContact O-CB 3.47Å; A472-A475 PolarHBondContact O-N 3.29Å; A475-V487 HydrophobicContact CB-CG2 4.33Å
476	G	85.4	Confident	88.4	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	47.1	175.9	0	0	0	0	0	113.9	T353 I439	T353-G476 PolarHBondContact OG1-O 2.68Å; I439-G476 PolarHBondContact O-N 3.24Å
477	R	82.2	Confident	88.8	Confident	50 Å²	50	43.6 Å²	43.6	19%	0.189	21%	0.214	C	C	.	.			trans	-61.7	147.4	176.6	-69.6	-174.8	73.8	177.7	-0.9	111.3	N214 L435 R474 S479 S480	N214-R477 HydrophobicContact CB-CG 4.36Å; N214-R477 WeakPolarHBondContact OD1-CA 3.49Å; L435-R477 PolarHBondContact O-NH1 2.94Å; R474-R477 VanDerWaalsContact NH1-NH1 3.18Å; R477-S479 PolarHBondContact O-N 3.45Å; R477-S480 WeakPolarHBondContact O-CA 3.46Å; R477-S480 VanDerWaalsContact O-CB 3.28Å; R477-S480 WeakPolarHBondContact O-CB 3.14Å; R477-S480 PolarHBondContact O-N 2.82Å; R477-S480 PolarHBondContact O-OG 2.78Å
478	F	79.3	Confident	89.1	Confident	128 Å²	128	40.2 Å²	40.2	56%	0.561	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-33.8	-179.9	178.4	-95.2	0	0	0	112.9	N214 L352 S480	N214-F478 PolarHBondContact ND2-N 3.08Å; N214-F478 PolarHBondContact OD1-N 3.12Å; L352-F478 HydrophobicContact CB-CB 3.88Å; L352-F478 HydrophobicContact CB-CD2 4.08Å; L352-F478 HydrophobicContact CB-CG 4.2Å; L352-F478 HydrophobicContact CD1-CB 3.65Å; L352-F478 HydrophobicContact CD1-CD1 4.23Å; L352-F478 HydrophobicContact CD1-CD2 4.38Å; L352-F478 HydrophobicContact CD1-CG 3.84Å; L352-F478 HydrophobicContact CG-CB 4.42Å; F478-S480 PolarHBondContact O-N 2.88Å
479	S	76.2	Confident	89.2	Confident	65 Å²	65	40.2 Å²	40.2	46%	0.455	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-3.5	173.2	49	0	0	0	0	114.7	N436 R477	N436-S479 PolarHBondContact OD1-OG 2.67Å; R477-S479 PolarHBondContact O-N 3.45Å
480	S	79.5	Confident	89.4	Confident	9 Å²	9	37.9 Å²	37.9	6%	0.063	19%	0.186	C	C	.	.	S	Bend	trans	-102.2	167.3	-178	83.3	0	0	0	0	112.9	S438 R477 F478 F482	S438-S480 WeakPolarHBondContact OG-CB 3.19Å; R477-S480 WeakPolarHBondContact O-CA 3.46Å; R477-S480 VanDerWaalsContact O-CB 3.28Å; R477-S480 WeakPolarHBondContact O-CB 3.14Å; R477-S480 PolarHBondContact O-N 2.82Å; R477-S480 PolarHBondContact O-OG 2.78Å; F478-S480 PolarHBondContact O-N 2.88Å; S480-F482 PolarHBondContact O-N 3.29Å; S480-F482 PolarHBondContact OG-N 2.97Å; S480-F482 PolarHBondContact OG-O 3.37Å
481	V	82	Confident	89.7	Confident	105 Å²	105	40.8 Å²	40.8	64%	0.636	20%	0.199	S	C	*	.	S	Bend	trans	-66.3	-25.6	173.8	-162.7	0	0	0	0	111.5
482	F	85.1	Confident	89.7	Confident	58 Å²	58	48.9 Å²	48.9	25%	0.254	23%	0.229	S	C	.	.			trans	-87.4	116.5	-175.5	-56	-64.7	0	0	0	111.5	S438 K440 S480	S438-F482 VanDerWaalsContact O-CE2 3.26Å; S438-F482 WeakPolarHBondContact O-CE2 3.43Å; K440-F482 HydrophobicContact CB-CB 4.44Å; K440-F482 HydrophobicContact CB-CD1 3.81Å; K440-F482 HydrophobicContact CB-CD2 3.74Å; K440-F482 HydrophobicContact CB-CE1 3.92Å; K440-F482 HydrophobicContact CB-CE2 3.86Å; K440-F482 HydrophobicContact CB-CG 3.72Å; K440-F482 HydrophobicContact CB-CZ 3.94Å; K440-F482 HydrophobicContact CD-CD1 3.89Å; K440-F482 HydrophobicContact CD-CE1 3.93Å; K440-F482 HydrophobicContact CG-CB 4.36Å; K440-F482 HydrophobicContact CG-CD1 3.71Å; K440-F482 HydrophobicContact CG-CD2 4.45Å; K440-F482 HydrophobicContact CG-CE1 4.08Å; K440-F482 HydrophobicContact CG-CG 3.91Å; S480-F482 PolarHBondContact O-N 3.29Å; S480-F482 PolarHBondContact OG-N 2.97Å; S480-F482 PolarHBondContact OG-O 3.37Å
483	K	83.8	Confident	89.8	Confident	142 Å²	142	55.6 Å²	55.6	62%	0.617	27%	0.265	S	S	*	.	S	Bend	trans	-79.4	-18.9	-178.4	-59.4	-53.7	-177.6	-168.5	0	114.3	T353	T353-K483 VanDerWaalsContact CB-O 3.31Å; T353-K483 WeakPolarHBondContact CB-O 3.41Å; T353-K483 VanDerWaalsContact CG2-O 3.24Å; T353-K483 WeakPolarHBondContact CG2-O 3.31Å
484	E	88.7	Confident	90.1	Very high	136 Å²	136	57.1 Å²	57.1	64%	0.636	27%	0.273	S	S	*	.	S	Bend	trans	-132.3	145.8	177.3	-60	-173.2	155.9	0	0	109.4	P354	P354-E484 HydrophobicContact CG-CG 4.2Å
485	G	93.9	Very high	90.3	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	142.6	175.4	0	0	0	0	0	112.6	P354 F355 S356	P354-G485 PolarHBondContact O-N 3.4Å; P354-G485 VanDerWaalsContact O-N 3.15Å; F355-G485 CarbonylContact C-O 3.35Å; F355-G485 WeakPolarHBondContact CA-O 3.48Å; F355-G485 VanDerWaalsContact CB-O 3.31Å; F355-G485 WeakPolarHBondContact CB-O 3.39Å; S356-G485 PolarHBondContact N-O 2.99Å
486	E	97.1	Very high	90.5	Very high	33 Å²	33	60.8 Å²	60.8	15%	0.154	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	144.1	171.3	-62	174.2	-142.3	0	0	109.6	L358 R369 K440 R441 I442	L358-E486 HydrophobicContact CD1-CB 4.32Å; L358-E486 HydrophobicContact CD2-CB 4.23Å; L358-E486 HydrophobicContact CD2-CG 4.21Å; L358-E486 HydrophobicContact CG-CB 4.36Å; R369-E486 IonicContact CZ-OE2 2.68Å; R369-E486 IonicContact NH2-OE1 3.38Å; R369-E486 IonicContact NH2-OE2 3.62Å; R369-E486 PolarHBondContact NH2-OE2 3Å; K440-E486 WeakPolarHBondContact CE-OE1 3.42Å; K440-E486 IonicContact NZ-OE1 3.63Å; K440-E486 PolarHBondContact NZ-OE1 3.36Å; K440-E486 PolarHBondContact O-N 3.04Å; R441-E486 CarbonylContact C-O 3.58Å; R441-E486 VanDerWaalsContact CA-O 3.24Å; R441-E486 WeakPolarHBondContact CA-O 3.28Å; R441-E486 HydrophobicContact CB-CB 3.85Å; R441-E486 HydrophobicContact CG-CB 3.79Å; I442-E486 PolarHBondContact N-O 3.14Å
487	V	97.7	Very high	91	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	132.5	177.2	-178.5	0	0	0	0	109.8	F355 S356 V357 L358 I442 F444 A472 A475 L498 L502	F355-V487 HydrophobicContact CD2-CB 4.23Å; F355-V487 HydrophobicContact CD2-CG2 3.4Å; F355-V487 HydrophobicContact CE2-CB 4.43Å; F355-V487 HydrophobicContact CE2-CG2 3.77Å; F355-V487 HydrophobicContact CG-CG2 4.24Å; S356-V487 PolarHBondContact O-N 3.43Å; V357-V487 CarbonylContact C-O 3.57Å; V357-V487 WeakPolarHBondContact CA-O 3.45Å; L358-V487 PolarHBondContact N-O 2.93Å; I442-V487 HydrophobicContact CB-CG2 4.37Å; I442-V487 HydrophobicContact CG2-CG1 4.43Å; I442-V487 WeakPolarHBondContact O-CA 3.46Å; F444-V487 HydrophobicContact CD2-CG1 4.4Å; F444-V487 HydrophobicContact CE2-CG1 3.96Å; A472-V487 HydrophobicContact CB-CG1 4.06Å; A472-V487 HydrophobicContact CB-CG2 3.97Å; A475-V487 HydrophobicContact CB-CG2 4.33Å; V487-L498 HydrophobicContact CG1-CD2 4.09Å; V487-L502 HydrophobicContact CG1-CD1 4.33Å
488	T	98.2	Very high	91.7	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	-175.7	179.3	-168.2	0	0	0	0	111.5	L358 H360 A361 V362 R441 I442 I443 F444	L358-T488 HydrophobicContact CD1-CG2 4.12Å; H360-T488 PolarHBondContact O-OG1 3.3Å; A361-T488 WeakPolarHBondContact CA-OG1 3.3Å; V362-T488 HydrophobicContact CG2-CG2 3.67Å; R441-T488 HydrophobicContact CG-CG2 4.3Å; I442-T488 PolarHBondContact O-N 3.48Å; I443-T488 CarbonylContact C-O 3.52Å; I443-T488 WeakPolarHBondContact CA-O 3.44Å; I443-T488 HydrophobicContact CG1-CG2 4.16Å; F444-T488 PolarHBondContact N-O 3.13Å
489	T	98.1	Very high	92.5	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	162.1	176.3	56.4	0	0	0	0	111.2	A361 V362 F444 H491 D494 L495 L498	A361-T489 WeakPolarHBondContact CA-O 3.48Å; V362-T489 PolarHBondContact N-O 3.31Å; F444-T489 HydrophobicContact CB-CG2 4.4Å; F444-T489 CarbonylContact O-C 3.59Å; F444-T489 WeakPolarHBondContact O-CA 3.36Å; T489-H491 WeakPolarHBondContact CB-O 3.26Å; T489-H491 PolarHBondContact OG1-O 3.1Å; T489-D494 HydrophobicContact CG2-CB 3.67Å; T489-L495 HydrophobicContact CG2-CD1 4.34Å; T489-L495 WeakPolarHBondContact OG1-CB 3.4Å; T489-L498 HydrophobicContact CG2-CB 3.87Å; T489-L498 HydrophobicContact CG2-CD2 3.61Å; T489-L498 HydrophobicContact CG2-CG 4.38Å
490	M	96.9	Very high	93.4	Very high	8 Å²	8	60.9 Å²	60.9	4%	0.039	30%	0.298	C	S	.	.	S	Bend	trans	-70.6	-49.5	169.4	-173.3	62.5	69.8	0	0	110.4	V362 E363 L365 I374 L385 I443 F444	V362-M490 HydrophobicContact CB-SD 4.21Å; V362-M490 HydrophobicContact CG1-SD 4.21Å; E363-M490 WeakPolarHBondContact CA-O 3.4Å; E363-M490 PolarHBondContact N-O 2.78Å; L365-M490 HydrophobicContact CD2-CE 3.58Å; L365-M490 HydrophobicContact CD2-SD 4.11Å; I374-M490 HydrophobicContact CD1-CE 3.95Å; I374-M490 HydrophobicContact CG1-CE 4.33Å; I374-M490 HydrophobicContact CG2-CE 3.97Å; L385-M490 HydrophobicContact CD2-CE 4.39Å; I443-M490 HydrophobicContact CG2-CB 4.32Å; I443-M490 HydrophobicContact CG2-CE 4.07Å; F444-M490 PolarHBondContact O-N 2.73Å
491	H	96.6	Very high	94.1	Very high	98 Å²	98	61.3 Å²	61.3	45%	0.454	30%	0.299	S	S	.	.	S	Bend	trans	-98	144	-177.9	-56.9	-61.2	0	0	0	112.1	T489 D493 D494	T489-H491 WeakPolarHBondContact CB-O 3.26Å; T489-H491 PolarHBondContact OG1-O 3.1Å; H491-D493 VanDerWaalsContact C-N 3.33Å; H491-D493 PolarHBondContact O-N 2.91Å; H491-D494 IonicContact CD2-OD2 3.63Å; H491-D494 PolarHBondContact O-N 3.27Å
492	R	95.4	Very high	94.7	Very high	175 Å²	175	57.6 Å²	57.6	66%	0.66	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-36.4	-177.5	-177.4	174.1	172.9	177	-2.9	113.1	A361 D494 L495 P496	A361-R492 HydrophobicContact CB-CB 4.3Å; R492-D494 VanDerWaalsContact C-N 3.28Å; R492-D494 PolarHBondContact O-N 3.32Å; R492-L495 PolarHBondContact O-N 2.9Å; R492-P496 WeakPolarHBondContact O-CD 3.48Å
493	D	95.9	Very high	95	Very high	140 Å²	140	59.1 Å²	59.1	75%	0.749	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-25.4	-177	-55.9	-33.5	0	0	0	112.6	H491 P496	H491-D493 VanDerWaalsContact C-N 3.33Å; H491-D493 PolarHBondContact O-N 2.91Å; D493-P496 WeakPolarHBondContact O-CD 3.48Å
494	D	95.8	Very high	95.4	Very high	35 Å²	35	57 Å²	57	19%	0.187	29%	0.285	C	S	.	.	H	α-helix	trans	-75.9	-23.7	175.3	-68.7	-37.2	0	0	0	112.6	L447 T489 H491 R492 V497 L498	L447-D494 HydrophobicContact CD1-CB 3.96Å; L447-D494 WeakPolarHBondContact CD1-O 3.32Å; L447-D494 HydrophobicContact CG-CB 4.2Å; T489-D494 HydrophobicContact CG2-CB 3.67Å; H491-D494 IonicContact CD2-OD2 3.63Å; H491-D494 PolarHBondContact O-N 3.27Å; R492-D494 VanDerWaalsContact C-N 3.28Å; R492-D494 PolarHBondContact O-N 3.32Å; D494-V497 WeakPolarHBondContact O-CB 3.46Å; D494-V497 PolarHBondContact O-N 2.9Å; D494-V497 VanDerWaalsContact O-N 3.16Å; D494-L498 PolarHBondContact O-N 3.12Å
495	L	96.6	Very high	95.4	Very high	10 Å²	10	55.3 Å²	55.3	5%	0.052	29%	0.289	C	S	.	.	H	α-helix	trans	-64.7	-41.4	-169.7	-172.5	61.6	0	0	0	114.1	V357 T489 R492 V497 L498 K499	V357-L495 HydrophobicContact CG1-CD1 4.25Å; T489-L495 HydrophobicContact CG2-CD1 4.34Å; T489-L495 WeakPolarHBondContact OG1-CB 3.4Å; R492-L495 PolarHBondContact O-N 2.9Å; L495-V497 VanDerWaalsContact C-N 3.32Å; L495-V497 PolarHBondContact O-N 2.71Å; L495-L498 PolarHBondContact O-N 2.92Å; L495-K499 WeakPolarHBondContact O-CG 3.22Å; L495-K499 PolarHBondContact O-N 3.13Å; L495-K499 VanDerWaalsContact O-N 3.08Å
496	P	96.9	Very high	95.2	Very high	84 Å²	84	56.9 Å²	56.9	55%	0.545	30%	0.298	S	S	.	.	H	α-helix	trans	-60.3	-41.5	172.1	-22.9	34.8	0	0	0	112.2	R492 D493 K499 E500	R492-P496 WeakPolarHBondContact O-CD 3.48Å; D493-P496 WeakPolarHBondContact O-CD 3.48Å; P496-K499 PolarHBondContact O-N 2.71Å; P496-E500 PolarHBondContact O-N 2.96Å
497	V	96	Very high	94.8	Very high	57 Å²	57	61.1 Å²	61.1	35%	0.345	32%	0.322	S	S	.	.	H	α-helix	trans	-66.1	-40.2	179.9	-175.8	0	0	0	0	110.9	L447 D494 L495 K499 E500 I501	L447-V497 HydrophobicContact CD1-CB 3.78Å; L447-V497 HydrophobicContact CD1-CG1 3.82Å; D494-V497 WeakPolarHBondContact O-CB 3.46Å; D494-V497 PolarHBondContact O-N 2.9Å; D494-V497 VanDerWaalsContact O-N 3.16Å; L495-V497 VanDerWaalsContact C-N 3.32Å; L495-V497 PolarHBondContact O-N 2.71Å; V497-K499 PolarHBondContact O-N 3.06Å; V497-E500 PolarHBondContact O-N 3.44Å; V497-I501 HydrophobicContact CG1-CD1 3.92Å; V497-I501 HydrophobicContact CG1-CG1 4.44Å; V497-I501 WeakPolarHBondContact O-CB 3.37Å; V497-I501 VanDerWaalsContact O-CG1 3.28Å; V497-I501 WeakPolarHBondContact O-CG1 3.41Å; V497-I501 PolarHBondContact O-N 2.97Å
498	L	96.4	Very high	94.5	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-63.1	-41.9	173.7	-180	60.7	0	0	0	111.9	F444 L447 V487 T489 D494 L495 E500 I501 L502	F444-L498 HydrophobicContact CD2-CD1 3.91Å; F444-L498 HydrophobicContact CD2-CD2 3.62Å; F444-L498 HydrophobicContact CD2-CG 4.45Å; F444-L498 HydrophobicContact CE2-CD1 3.81Å; F444-L498 HydrophobicContact CE2-CD2 4.08Å; F444-L498 HydrophobicContact CG-CD2 4.49Å; F444-L498 HydrophobicContact CZ-CD1 4.35Å; L447-L498 HydrophobicContact CD1-CB 3.95Å; L447-L498 HydrophobicContact CD2-CB 4.19Å; L447-L498 HydrophobicContact CD2-CD1 3.9Å; L447-L498 HydrophobicContact CD2-CG 4.49Å; V487-L498 HydrophobicContact CG1-CD2 4.09Å; T489-L498 HydrophobicContact CG2-CB 3.87Å; T489-L498 HydrophobicContact CG2-CD2 3.61Å; T489-L498 HydrophobicContact CG2-CG 4.38Å; D494-L498 PolarHBondContact O-N 3.12Å; L495-L498 PolarHBondContact O-N 2.92Å; L498-E500 VanDerWaalsContact C-N 3.34Å; L498-I501 PolarHBondContact O-N 3.44Å; L498-L502 HydrophobicContact CD1-CD1 3.75Å; L498-L502 HydrophobicContact CD1-CG 3.93Å; L498-L502 HydrophobicContact CG-CD1 3.87Å; L498-L502 HydrophobicContact CG-CG 4.4Å; L498-L502 WeakPolarHBondContact O-CB 3.44Å; L498-L502 VanDerWaalsContact O-CG 3.3Å; L498-L502 WeakPolarHBondContact O-CG 3.31Å; L498-L502 PolarHBondContact O-N 2.95Å
499	K	96.1	Very high	94.3	Very high	75 Å²	75	65.1 Å²	65.1	33%	0.326	35%	0.348	S	S	.	.	H	α-helix	trans	-63	-40.9	176.4	-76.6	179.2	171.2	-172.8	0	111.6	V357 L358 D359 L495 P496 V497 S503	V357-K499 HydrophobicContact CB-CG 4.4Å; V357-K499 HydrophobicContact CG1-CD 4.44Å; V357-K499 HydrophobicContact CG1-CG 3.67Å; L358-K499 VanDerWaalsContact O-CE 3.23Å; L358-K499 WeakPolarHBondContact O-CE 3.4Å; D359-K499 IonicContact OD1-NZ 2.62Å; D359-K499 PolarHBondContact OD1-NZ 3.38Å; L495-K499 WeakPolarHBondContact O-CG 3.22Å; L495-K499 PolarHBondContact O-N 3.13Å; L495-K499 VanDerWaalsContact O-N 3.08Å; P496-K499 PolarHBondContact O-N 2.71Å; V497-K499 PolarHBondContact O-N 3.06Å; K499-S503 WeakPolarHBondContact O-CB 3.49Å; K499-S503 PolarHBondContact O-N 2.99Å; K499-S503 VanDerWaalsContact O-N 3.12Å; K499-S503 PolarHBondContact O-OG 3.47Å
500	E	95.6	Very high	94.2	Very high	113 Å²	113	72.3 Å²	72.3	53%	0.528	38%	0.381	S	S	.	.	H	α-helix	trans	-61.6	-55	173.9	-176.2	178.5	170.5	0	0	111.3	P496 V497 L498 L502 S503 H504	P496-E500 PolarHBondContact O-N 2.96Å; V497-E500 PolarHBondContact O-N 3.44Å; L498-E500 VanDerWaalsContact C-N 3.34Å; E500-L502 VanDerWaalsContact C-N 3.31Å; E500-L502 PolarHBondContact O-N 3.31Å; E500-S503 WeakPolarHBondContact O-CB 3.43Å; E500-S503 PolarHBondContact O-N 3.13Å; E500-S503 PolarHBondContact O-OG 2.91Å; E500-H504 PolarHBondContact O-N 3.06Å; E500-H504 PolarHBondContact O-ND1 3.31Å
501	I	94.7	Very high	94.2	Very high	17 Å²	17	74.1 Å²	74.1	9%	0.087	39%	0.393	C	S	.	.	H	α-helix	trans	-54.5	-44	178.9	-69.8	168.3	0	0	0	112	L447 I463 T465 A468 V497 L498 S503	L447-I501 HydrophobicContact CD1-CD1 4.39Å; I463-I501 HydrophobicContact CG1-CD1 4.42Å; T465-I501 WeakPolarHBondContact CB-O 3.08Å; T465-I501 WeakPolarHBondContact CG2-O 3.39Å; T465-I501 PolarHBondContact OG1-O 3.45Å; A468-I501 HydrophobicContact CB-CG2 3.63Å; V497-I501 HydrophobicContact CG1-CD1 3.92Å; V497-I501 HydrophobicContact CG1-CG1 4.44Å; V497-I501 WeakPolarHBondContact O-CB 3.37Å; V497-I501 VanDerWaalsContact O-CG1 3.28Å; V497-I501 WeakPolarHBondContact O-CG1 3.41Å; V497-I501 PolarHBondContact O-N 2.97Å; L498-I501 PolarHBondContact O-N 3.44Å; I501-S503 VanDerWaalsContact C-N 3.3Å; I501-S503 PolarHBondContact O-N 3.36Å
502	L	93.4	Very high	94.2	Very high	27 Å²	27	69.4 Å²	69.4	14%	0.141	37%	0.371	C	S	.	.	H	α-helix	trans	-76.1	-13.2	179.7	-67.7	175.2	0	0	0	113.9	V357 A468 L469 A472 V487 L498 E500	V357-L502 HydrophobicContact CG2-CD1 3.64Å; A468-L502 HydrophobicContact CB-CD2 3.82Å; L469-L502 HydrophobicContact CD2-CD2 3.79Å; L469-L502 HydrophobicContact CG-CD2 4Å; A472-L502 HydrophobicContact CB-CD2 4.25Å; V487-L502 HydrophobicContact CG1-CD1 4.33Å; L498-L502 HydrophobicContact CD1-CD1 3.75Å; L498-L502 HydrophobicContact CD1-CG 3.93Å; L498-L502 HydrophobicContact CG-CD1 3.87Å; L498-L502 HydrophobicContact CG-CG 4.4Å; L498-L502 WeakPolarHBondContact O-CB 3.44Å; L498-L502 VanDerWaalsContact O-CG 3.3Å; L498-L502 WeakPolarHBondContact O-CG 3.31Å; L498-L502 PolarHBondContact O-N 2.95Å; E500-L502 VanDerWaalsContact C-N 3.31Å; E500-L502 PolarHBondContact O-N 3.31Å
503	S	92.3	Very high	94.3	Very high	90 Å²	90	61.1 Å²	61.1	63%	0.629	34%	0.34	S	S	*	.	H	α-helix	trans	-87.9	-20.8	176.9	74.9	0	0	0	0	113.8	K499 E500 I501	K499-S503 WeakPolarHBondContact O-CB 3.49Å; K499-S503 PolarHBondContact O-N 2.99Å; K499-S503 VanDerWaalsContact O-N 3.12Å; K499-S503 PolarHBondContact O-OG 3.47Å; E500-S503 WeakPolarHBondContact O-CB 3.43Å; E500-S503 PolarHBondContact O-N 3.13Å; E500-S503 PolarHBondContact O-OG 2.91Å; I501-S503 VanDerWaalsContact C-N 3.3Å; I501-S503 PolarHBondContact O-N 3.36Å
504	H	91.9	Very high	94.3	Very high	97 Å²	97	54.7 Å²	54.7	45%	0.449	31%	0.306	S	S	.	.	S	Bend	trans	-68.2	150.7	176.4	-67.1	136.6	0	0	0	112.3	T465 E500	T465-H504 HydrophobicContact CG2-CB 4.35Å; T465-H504 WeakPolarHBondContact CG2-O 3.39Å; E500-H504 PolarHBondContact O-N 3.06Å; E500-H504 PolarHBondContact O-ND1 3.31Å
505	S	88.1	Confident	94.1	Very high	101 Å²	101	54.7 Å²	54.7	71%	0.706	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-69.1	145.8	164.2	48.1	0	0	0	0	110.3
506	V	89.2	Confident	93.7	Very high	34 Å²	34	54.4 Å²	54.4	21%	0.206	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-71.7	130	169.4	177.5	0	0	0	0	109.1	A328 T465 L469	A328-V506 HydrophobicContact CB-CB 4.21Å; A328-V506 HydrophobicContact CB-CG1 3.77Å; T465-V506 HydrophobicContact CG2-CG2 4.04Å; L469-V506 HydrophobicContact CD1-CG2 3.68Å
507	D	89.1	Confident	93.2	Very high	123 Å²	123	52.6 Å²	52.6	66%	0.658	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-58.4	131.7	175.6	-58.4	-53.7	0	0	0	110.8	R301	R301-D507 PolarHBondContact NH1-O 2.93Å; R301-D507 PolarHBondContact NH2-O 3.23Å
508	P	92.6	Very high	92.8	Very high	77 Å²	77	50.4 Å²	50.4	50%	0.5	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-50.9	153.6	175.9	-28.2	35.9	0	0	0	113.2	R301 A328	R301-P508 PolarHBondContact NH1-O 3.24Å; A328-P508 WeakPolarHBondContact O-CA 3.43Å
509	V	94	Very high	92.4	Very high	7 Å²	7	54.6 Å²	54.6	4%	0.042	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-73.6	129.8	161	179.7	0	0	0	0	107.2	Q298 I300 R301 A328 A329 F332	Q298-V509 HydrophobicContact CB-CG2 4.48Å; I300-V509 HydrophobicContact CG2-CG1 4.05Å; R301-V509 HydrophobicContact CB-CG1 4.13Å; R301-V509 HydrophobicContact CG-CG1 4.31Å; R301-V509 HydrophobicContact CG-CG2 4.09Å; A328-V509 PolarHBondContact O-N 3.46Å; A329-V509 HydrophobicContact CB-CB 4.43Å; A329-V509 HydrophobicContact CB-CG2 3.78Å; F332-V509 HydrophobicContact CB-CB 4.07Å; F332-V509 HydrophobicContact CB-CG1 4.2Å; F332-V509 VanDerWaalsContact CB-O 3.28Å; F332-V509 WeakPolarHBondContact CB-O 3.48Å; F332-V509 HydrophobicContact CD1-CB 4.25Å; F332-V509 HydrophobicContact CD1-CG1 3.51Å; F332-V509 HydrophobicContact CD2-CG1 4.39Å; F332-V509 HydrophobicContact CE1-CG1 3.99Å; F332-V509 HydrophobicContact CG-CB 4.18Å; F332-V509 HydrophobicContact CG-CG1 3.75Å
510	E	95.1	Very high	92.1	Very high	150 Å²	150	52.2 Å²	52.2	70%	0.701	29%	0.288	S	S	*	.			trans	-114.4	-22.3	178.1	-62.6	-172.6	154	0	0	112.9	F332	F332-E510 WeakPolarHBondContact CD2-O 3.24Å; F332-E510 VanDerWaalsContact CE2-C 3.48Å; F332-E510 WeakPolarHBondContact CE2-O 3.12Å
511	T	96.3	Very high	92	Very high	46 Å²	46	46.9 Å²	46.9	28%	0.282	26%	0.263	S	S	.	.			trans	-146.7	148.3	-174.5	58.5	0	0	0	0	113.2	L549 F551	T511-L549 CarbonylContact C-O 3.57Å; T511-L549 VanDerWaalsContact CA-O 3.27Å; T511-L549 WeakPolarHBondContact CA-O 3.49Å; T511-F551 WeakPolarHBondContact OG1-CD1 3.35Å
512	A	97.6	Very high	91.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	139.6	176.3	0	0	0	0	0	112.5	I300 T310 F332 L549 Y550 F551	I300-A512 HydrophobicContact CD1-CB 3.82Å; I300-A512 HydrophobicContact CG1-CB 3.69Å; T310-A512 HydrophobicContact CG2-CB 4.18Å; F332-A512 HydrophobicContact CE1-CB 3.86Å; F332-A512 HydrophobicContact CZ-CB 3.62Å; A512-L549 PolarHBondContact N-O 3.36Å; A512-Y550 HydrophobicContact CB-CD1 3.78Å; A512-Y550 HydrophobicContact CB-CE1 4.16Å; A512-Y550 CarbonylContact O-C 3.33Å; A512-Y550 WeakPolarHBondContact O-CA 3.47Å; A512-F551 VanDerWaalsContact C-CE1 3.46Å; A512-F551 WeakPolarHBondContact O-CD1 3.5Å; A512-F551 PolarHBondContact O-N 3.37Å
513	G	97.1	Very high	91.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	146.3	178	0	0	0	0	0	112.9	I300 W307 T310 F551	I300-G513 PolarHBondContact O-N 2.91Å; W307-G513 VanDerWaalsContact CA-O 3.29Å; W307-G513 WeakPolarHBondContact CA-O 3.4Å; T310-G513 WeakPolarHBondContact CB-O 3.35Å; T310-G513 PolarHBondContact OG1-O 3.31Å; G513-F551 CarbonylContact C-O 3.47Å; G513-F551 VanDerWaalsContact CA-CE1 3.44Å; G513-F551 WeakPolarHBondContact CA-O 3.32Å
514	L	96.4	Very high	91.5	Very high	6 Å²	6	48 Å²	48	3%	0.031	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	153.2	169.3	-65.6	174.8	0	0	0	109.4	L189 P192 W195 T310 V546 Y550 F551 V552 C553	L189-L514 HydrophobicContact CB-CD1 4.25Å; P192-L514 HydrophobicContact CB-CD2 4.07Å; P192-L514 HydrophobicContact CG-CD1 3.71Å; P192-L514 HydrophobicContact CG-CD2 3.94Å; P192-L514 HydrophobicContact CG-CG 4.48Å; W195-L514 HydrophobicContact CH2-CD1 4.35Å; W195-L514 HydrophobicContact CH2-CD2 4.05Å; W195-L514 HydrophobicContact CZ3-CD2 4.21Å; T310-L514 HydrophobicContact CG2-CD2 3.8Å; L514-V546 HydrophobicContact CD1-CG1 4.03Å; L514-Y550 HydrophobicContact CD1-CD1 3.95Å; L514-Y550 HydrophobicContact CD1-CG 3.81Å; L514-Y550 HydrophobicContact CD2-CD1 4.04Å; L514-Y550 HydrophobicContact CD2-CE1 4.44Å; L514-Y550 HydrophobicContact CG-CD1 3.92Å; L514-Y550 HydrophobicContact CG-CG 4.23Å; L514-F551 PolarHBondContact N-O 2.88Å; L514-V552 CarbonylContact O-C 3.56Å; L514-V552 WeakPolarHBondContact O-CA 3.45Å; L514-C553 WeakPolarHBondContact O-CB 3.44Å; L514-C553 PolarHBondContact O-N 3.14Å
515	H	91.3	Very high	91.5	Very high	34 Å²	34	44.1 Å²	44.1	16%	0.157	24%	0.243	C	C	.	.			trans	-135	144.3	177.5	-175.6	-86.5	0	0	0	109.3	W307 Y576	W307-H515 HydrophobicContact CB-CB 3.62Å; W307-H515 HydrophobicContact CD2-CB 3.93Å; W307-H515 HydrophobicContact CG-CB 3.48Å; W307-H515 VanDerWaalsContact CG-CB 3.48Å; H515-Y576 PolarHBondContact CE1-OH 3.1Å
516	P	86.9	Confident	91.6	Very high	4 Å²	4	48 Å²	48	3%	0.026	24%	0.244	C	C	.	.			trans	-55.4	142.5	174.5	-20.3	30	0	0	0	111	I521 F540 I555 Y576	P516-I521 HydrophobicContact CB-CD1 3.83Å; P516-I521 HydrophobicContact CB-CG1 3.82Å; P516-I521 HydrophobicContact CG-CD1 4.42Å; P516-F540 HydrophobicContact CB-CD1 3.97Å; P516-F540 HydrophobicContact CB-CE1 3.67Å; P516-F540 HydrophobicContact CB-CZ 3.96Å; P516-F540 HydrophobicContact CG-CD1 3.58Å; P516-F540 HydrophobicContact CG-CE1 3.53Å; P516-F540 HydrophobicContact CG-CG 4.42Å; P516-F540 HydrophobicContact CG-CZ 4.33Å; P516-I555 HydrophobicContact CG-CD1 3.74Å; P516-Y576 PolarHBondContact O-OH 2.9Å
517	T	87.4	Confident	91.7	Very high	46 Å²	46	50 Å²	50	28%	0.282	25%	0.251	S	S	.	.			trans	-81.3	158.4	170.3	77.9	0	0	0	0	110.9	E519 Q520 I521	T517-E519 WeakPolarHBondContact CB-OE2 3.16Å; T517-E519 PolarHBondContact O-N 3.49Å; T517-E519 PolarHBondContact OG1-OE2 3.46Å; T517-Q520 PolarHBondContact O-N 3Å; T517-Q520 WeakPolarHBondContact OG1-CG 3.06Å; T517-Q520 PolarHBondContact OG1-N 3.23Å; T517-Q520 VanDerWaalsContact OG1-N 3.08Å; T517-I521 PolarHBondContact O-N 3.49Å; T517-I521 VanDerWaalsContact O-N 3.12Å
518	A	87.2	Confident	91.7	Very high	11 Å²	11	44.5 Å²	44.5	9%	0.091	22%	0.222	C	C	.	.	H	α-helix	trans	-62.4	-34.3	176	0	0	0	0	0	111.3	E522 Y576	A518-E522 WeakPolarHBondContact O-CB 3.04Å; A518-E522 PolarHBondContact O-N 3.42Å; A518-Y576 HydrophobicContact CB-CD1 3.69Å; A518-Y576 HydrophobicContact CB-CD2 4.31Å; A518-Y576 HydrophobicContact CB-CE1 3.6Å; A518-Y576 HydrophobicContact CB-CE2 4.23Å; A518-Y576 HydrophobicContact CB-CG 4.07Å
519	E	88.5	Confident	91.6	Very high	89 Å²	89	45.5 Å²	45.5	42%	0.416	23%	0.228	S	C	.	.	H	α-helix	trans	-67.4	-41.8	177.1	-60.4	67	-145.6	0	0	111.4	T517 E522 M523 R573	T517-E519 WeakPolarHBondContact CB-OE2 3.16Å; T517-E519 PolarHBondContact O-N 3.49Å; T517-E519 PolarHBondContact OG1-OE2 3.46Å; E519-E522 PolarHBondContact O-N 3.07Å; E519-M523 VanDerWaalsContact O-CG 3.32Å; E519-M523 WeakPolarHBondContact O-CG 3.28Å; E519-M523 PolarHBondContact O-N 3.43Å; E519-R573 IonicContact OE1-CZ 3.81Å; E519-R573 IonicContact OE1-NH1 3.8Å; E519-R573 PolarHBondContact OE1-NH1 3.12Å; E519-R573 IonicContact OE1-NH2 3.69Å; E519-R573 PolarHBondContact OE1-NH2 3.07Å
520	Q	90.5	Very high	91.3	Very high	25 Å²	25	51.1 Å²	51.1	12%	0.117	26%	0.258	C	S	.	.	H	α-helix	trans	-63.6	-46	175.6	-79.2	173.6	-36.2	0	0	112	I186 T517 E522 M523 F524 F540	I186-Q520 HydrophobicContact CG2-CB 4.38Å; I186-Q520 HydrophobicContact CG2-CG 4.46Å; I186-Q520 PolarHBondContact O-NE2 3.48Å; T517-Q520 PolarHBondContact O-N 3Å; T517-Q520 WeakPolarHBondContact OG1-CG 3.06Å; T517-Q520 PolarHBondContact OG1-N 3.23Å; T517-Q520 VanDerWaalsContact OG1-N 3.08Å; Q520-E522 VanDerWaalsContact C-N 3.27Å; Q520-E522 PolarHBondContact O-N 2.77Å; Q520-M523 PolarHBondContact O-N 2.73Å; Q520-F524 WeakPolarHBondContact O-CD2 3.43Å; Q520-F524 PolarHBondContact O-N 3.27Å; Q520-F540 HydrophobicContact CB-CE2 3.86Å; Q520-F540 HydrophobicContact CB-CZ 4.28Å; Q520-F540 HydrophobicContact CG-CE2 4.44Å
521	I	91.9	Very high	91.1	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-66.2	-32.4	176.8	-63.3	-58.6	0	0	0	111.3	P516 T517 F524 A525 L533 V537 F540 Y576	P516-I521 HydrophobicContact CB-CD1 3.83Å; P516-I521 HydrophobicContact CB-CG1 3.82Å; P516-I521 HydrophobicContact CG-CD1 4.42Å; T517-I521 PolarHBondContact O-N 3.49Å; T517-I521 VanDerWaalsContact O-N 3.12Å; I521-F524 WeakPolarHBondContact O-CB 3.45Å; I521-F524 PolarHBondContact O-N 3.04Å; I521-A525 PolarHBondContact O-N 3.15Å; I521-L533 HydrophobicContact CG2-CD1 3.61Å; I521-V537 HydrophobicContact CD1-CG2 4.26Å; I521-F540 HydrophobicContact CD1-CB 4.02Å; I521-F540 HydrophobicContact CD1-CD2 3.87Å; I521-F540 HydrophobicContact CD1-CG 3.89Å; I521-Y576 HydrophobicContact CB-CD2 4.27Å; I521-Y576 HydrophobicContact CB-CE2 4.19Å; I521-Y576 HydrophobicContact CG1-CE2 4.01Å; I521-Y576 HydrophobicContact CG2-CD2 4.24Å
522	E	91.2	Very high	91	Very high	55 Å²	55	45.1 Å²	45.1	26%	0.257	23%	0.234	S	C	.	.	H	α-helix	trans	-66.6	-44	173	-178.6	159.9	-128.6	0	0	112.5	A518 E519 Q520 F524 A525 Y526 L572 R573	A518-E522 WeakPolarHBondContact O-CB 3.04Å; A518-E522 PolarHBondContact O-N 3.42Å; E519-E522 PolarHBondContact O-N 3.07Å; Q520-E522 VanDerWaalsContact C-N 3.27Å; Q520-E522 PolarHBondContact O-N 2.77Å; E522-F524 VanDerWaalsContact C-N 3.33Å; E522-F524 PolarHBondContact O-N 3.46Å; E522-A525 PolarHBondContact O-N 3.41Å; E522-Y526 HydrophobicContact CG-CD2 4.26Å; E522-Y526 HydrophobicContact CG-CE2 3.73Å; E522-Y526 WeakPolarHBondContact O-CD2 3.24Å; E522-Y526 PolarHBondContact O-N 2.82Å; E522-Y526 VanDerWaalsContact O-N 3.08Å; E522-L572 HydrophobicContact CB-CD2 4.06Å; E522-L572 HydrophobicContact CG-CD2 4.26Å; E522-R573 IonicContact OE2-NH1 2.6Å
523	M	89.5	Confident	90.8	Very high	101 Å²	101	45.6 Å²	45.6	50%	0.498	24%	0.237	S	C	.	.	H	α-helix	trans	-61.3	-37.9	171.2	-69.5	174.7	76.8	0	0	112.7	I186 E519 Q520 Y526 Q527	I186-M523 HydrophobicContact CD1-CB 4.09Å; I186-M523 HydrophobicContact CD1-CE 4.34Å; I186-M523 HydrophobicContact CG1-CB 4.43Å; I186-M523 HydrophobicContact CG1-CE 3.93Å; I186-M523 HydrophobicContact CG2-CB 3.78Å; I186-M523 HydrophobicContact CG2-SD 4.34Å; E519-M523 VanDerWaalsContact O-CG 3.32Å; E519-M523 WeakPolarHBondContact O-CG 3.28Å; E519-M523 PolarHBondContact O-N 3.43Å; Q520-M523 PolarHBondContact O-N 2.73Å; M523-Y526 PolarHBondContact O-N 3.38Å; M523-Q527 PolarHBondContact O-N 3.03Å
524	F	89.9	Confident	90.7	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.4	-45.2	172.9	-100.1	-114.2	0	0	0	112.4	L183 I186 Q520 I521 E522 Y526 Q527 L528 L536 I539 F540 L543	L183-F524 HydrophobicContact CB-CE1 4.17Å; L183-F524 HydrophobicContact CB-CZ 3.91Å; L183-F524 HydrophobicContact CD2-CD1 3.8Å; L183-F524 HydrophobicContact CD2-CD2 4.32Å; L183-F524 HydrophobicContact CD2-CE1 3.82Å; L183-F524 HydrophobicContact CD2-CE2 4.34Å; L183-F524 HydrophobicContact CD2-CG 4.05Å; L183-F524 HydrophobicContact CD2-CZ 4.08Å; L183-F524 HydrophobicContact CG-CE1 4.45Å; L183-F524 WeakPolarHBondContact O-CE2 3.29Å; L183-F524 WeakPolarHBondContact O-CZ 3.36Å; I186-F524 HydrophobicContact CB-CD2 3.97Å; I186-F524 HydrophobicContact CB-CE2 3.65Å; I186-F524 HydrophobicContact CG2-CD2 3.52Å; I186-F524 HydrophobicContact CG2-CE2 3.63Å; Q520-F524 WeakPolarHBondContact O-CD2 3.43Å; Q520-F524 PolarHBondContact O-N 3.27Å; I521-F524 WeakPolarHBondContact O-CB 3.45Å; I521-F524 PolarHBondContact O-N 3.04Å; E522-F524 VanDerWaalsContact C-N 3.33Å; E522-F524 PolarHBondContact O-N 3.46Å; F524-Y526 VanDerWaalsContact C-N 3.32Å; F524-Y526 PolarHBondContact O-N 2.83Å; F524-Q527 PolarHBondContact O-N 3.4Å; F524-Q527 VanDerWaalsContact O-N 3.1Å; F524-L528 PolarHBondContact O-N 2.93Å; F524-L536 HydrophobicContact CB-CD2 4.43Å; F524-I539 HydrophobicContact CE1-CG2 4.11Å; F524-F540 HydrophobicContact CD1-CB 4.28Å; F524-F540 HydrophobicContact CD1-CD2 4.3Å; F524-F540 AromaticContact CD2-CD2 3.68Å; F524-F540 HydrophobicContact CD2-CD2 3.68Å; F524-F540 HydrophobicContact CD2-CE2 4.17Å; F524-F540 HydrophobicContact CE1-CB 3.99Å; F524-F540 HydrophobicContact CE1-CD2 4.05Å; F524-F540 HydrophobicContact CE1-CG 4.48Å; F524-F540 AromaticContact CE2-CD2 3.39Å; F524-F540 HydrophobicContact CE2-CD2 3.39Å; F524-F540 AromaticContact CE2-CE2 3.8Å; F524-F540 HydrophobicContact CE2-CE2 3.8Å; F524-F540 HydrophobicContact CE2-CG 4.47Å; F524-F540 HydrophobicContact CG-CD2 4.14Å; F524-F540 HydrophobicContact CZ-CB 4.28Å; F524-F540 AromaticContact CZ-CD2 3.62Å; F524-F540 HydrophobicContact CZ-CD2 3.62Å; F524-F540 HydrophobicContact CZ-CE2 4.34Å; F524-F540 HydrophobicContact CZ-CG 4.31Å; F524-L543 HydrophobicContact CE1-CD1 4.4Å
525	A	91.6	Very high	90.5	Very high	16 Å²	16	46.7 Å²	46.7	13%	0.132	24%	0.243	C	C	.	.	H	α-helix	trans	-66.4	-30.8	179.3	0	0	0	0	0	113.3	I521 E522 Q527 L528 P529 L536 L572	I521-A525 PolarHBondContact O-N 3.15Å; E522-A525 PolarHBondContact O-N 3.41Å; A525-Q527 VanDerWaalsContact C-N 3.27Å; A525-Q527 PolarHBondContact O-N 3.4Å; A525-L528 CarbonylContact O-C 3.53Å; A525-L528 VanDerWaalsContact O-C 3.25Å; A525-L528 PolarHBondContact O-N 3.14Å; A525-P529 VanDerWaalsContact O-CA 3.28Å; A525-P529 WeakPolarHBondContact O-CA 3.34Å; A525-P529 VanDerWaalsContact O-N 3.17Å; A525-L536 HydrophobicContact CB-CD1 3.7Å; A525-L572 HydrophobicContact CB-CD1 4.39Å; A525-L572 HydrophobicContact CB-CD2 3.25Å; A525-L572 HydrophobicContact CB-CG 4.43Å
526	Y	91.4	Very high	90.6	Very high	183 Å²	183	45.3 Å²	45.3	72%	0.718	24%	0.237	S	C	*	.	H	α-helix	trans	-64	-32.7	171.4	-78.9	-62.7	0	0	0	112.8	E522 M523 F524	E522-Y526 HydrophobicContact CG-CD2 4.26Å; E522-Y526 HydrophobicContact CG-CE2 3.73Å; E522-Y526 WeakPolarHBondContact O-CD2 3.24Å; E522-Y526 PolarHBondContact O-N 2.82Å; E522-Y526 VanDerWaalsContact O-N 3.08Å; M523-Y526 PolarHBondContact O-N 3.38Å; F524-Y526 VanDerWaalsContact C-N 3.32Å; F524-Y526 PolarHBondContact O-N 2.83Å
527	Q	89.8	Confident	90.8	Very high	75 Å²	75	45.2 Å²	45.2	35%	0.35	24%	0.236	S	C	.	.	H	α-helix	trans	-80.5	-28.9	175.8	-62.9	-64.4	-17.8	0	0	112.6	C179 L183 I186 M523 F524 A525	C179-Q527 HydrophobicContact CB-CB 4.38Å; L183-Q527 HydrophobicContact CD2-CB 3.84Å; L183-Q527 HydrophobicContact CD2-CG 4.18Å; I186-Q527 HydrophobicContact CD1-CG 4.45Å; M523-Q527 PolarHBondContact O-N 3.03Å; F524-Q527 PolarHBondContact O-N 3.4Å; F524-Q527 VanDerWaalsContact O-N 3.1Å; A525-Q527 VanDerWaalsContact C-N 3.27Å; A525-Q527 PolarHBondContact O-N 3.4Å
528	L	90.5	Very high	91	Very high	9 Å²	9	45.3 Å²	45.3	5%	0.047	24%	0.235	C	C	.	.			trans	-131.5	67.7	-174.2	-59.8	177.2	0	0	0	111.2	P175 M176 L183 F524 A525 D530 A531 L536 I539	P175-L528 HydrophobicContact CB-CD2 4.06Å; M176-L528 HydrophobicContact CB-CD2 4.38Å; M176-L528 HydrophobicContact CG-CD1 3.56Å; M176-L528 HydrophobicContact CG-CD2 3.46Å; M176-L528 VanDerWaalsContact CG-CD2 3.46Å; M176-L528 HydrophobicContact CG-CG 4.15Å; M176-L528 HydrophobicContact SD-CD1 3.98Å; L183-L528 HydrophobicContact CD1-CD1 4Å; L183-L528 HydrophobicContact CD2-CD1 4.3Å; L183-L528 HydrophobicContact CD2-CG 4.48Å; F524-L528 PolarHBondContact O-N 2.93Å; A525-L528 CarbonylContact O-C 3.53Å; A525-L528 VanDerWaalsContact O-C 3.25Å; A525-L528 PolarHBondContact O-N 3.14Å; L528-D530 VanDerWaalsContact C-N 3.31Å; L528-D530 PolarHBondContact O-N 3.37Å; L528-A531 HydrophobicContact CB-CB 4.06Å; L528-A531 WeakPolarHBondContact O-CB 3.35Å; L528-A531 PolarHBondContact O-N 3.02Å; L528-L536 HydrophobicContact CB-CD2 3.76Å; L528-L536 HydrophobicContact CD1-CD2 4.07Å; L528-I539 HydrophobicContact CD1-CD1 4.1Å; L528-I539 HydrophobicContact CD1-CG2 4.5Å
529	P	88.8	Confident	91.2	Very high	97 Å²	97	44.9 Å²	44.9	63%	0.63	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-25.8	-169.8	26.9	-36.3	0	0	0	114.5	A525	A525-P529 VanDerWaalsContact O-CA 3.28Å; A525-P529 WeakPolarHBondContact O-CA 3.34Å; A525-P529 VanDerWaalsContact O-N 3.17Å
530	D	88.6	Confident	91.4	Very high	125 Å²	125	40.6 Å²	40.6	67%	0.668	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-6.2	179.4	-62.8	-60.8	0	0	0	113.4	V72 L528	V72-D530 HydrophobicContact CG1-CB 4.36Å; V72-D530 HydrophobicContact CG2-CB 4.19Å; L528-D530 VanDerWaalsContact C-N 3.31Å; L528-D530 PolarHBondContact O-N 3.37Å
531	A	90.7	Very high	91.5	Very high	27 Å²	27	42.1 Å²	42.1	22%	0.223	22%	0.222	C	C	.	.	S	Bend	trans	-79.3	142.6	179.3	0	0	0	0	0	111.6	L528 L536	L528-A531 HydrophobicContact CB-CB 4.06Å; L528-A531 WeakPolarHBondContact O-CB 3.35Å; L528-A531 PolarHBondContact O-N 3.02Å; A531-L536 HydrophobicContact CB-CD2 3.66Å; A531-L536 HydrophobicContact CB-CG 3.88Å
532	T	93.8	Very high	91.4	Very high	43 Å²	43	43.9 Å²	43.9	26%	0.264	24%	0.235	S	C	.	.			trans	-72.6	152.7	175.6	75.1	0	0	0	0	110.3	S534 N535 L536 Q566	T532-S534 PolarHBondContact O-N 3.32Å; T532-N535 CarbonylContact O-C 3.59Å; T532-N535 PolarHBondContact O-N 2.96Å; T532-N535 WeakPolarHBondContact OG1-CB 3.47Å; T532-N535 PolarHBondContact OG1-N 2.86Å; T532-L536 WeakPolarHBondContact O-CG 3.41Å; T532-L536 PolarHBondContact O-N 3.47Å; T532-Q566 HydrophobicContact CG2-CG 4.41Å; T532-Q566 VanDerWaalsContact CG2-NE2 3.35Å
533	L	94	Very high	91.4	Very high	11 Å²	11	41.9 Å²	41.9	6%	0.058	23%	0.225	C	C	.	.	H	α-helix	trans	-57.8	-36.7	178.4	176.3	60.5	0	0	0	112.7	I521 L536 V537 F558 A562 L572 R575 C579	I521-L533 HydrophobicContact CG2-CD1 3.61Å; L533-L536 PolarHBondContact O-N 3.14Å; L533-V537 WeakPolarHBondContact O-CG2 3.4Å; L533-V537 PolarHBondContact O-N 2.82Å; L533-V537 VanDerWaalsContact O-N 3.14Å; L533-F558 HydrophobicContact CD1-CE1 4.05Å; L533-F558 HydrophobicContact CD1-CZ 4.12Å; L533-F558 HydrophobicContact CD2-CE1 3.95Å; L533-F558 HydrophobicContact CD2-CZ 3.88Å; L533-F558 HydrophobicContact CG-CE1 3.85Å; L533-F558 HydrophobicContact CG-CZ 4.16Å; L533-A562 HydrophobicContact CB-CB 4.1Å; L533-A562 HydrophobicContact CD2-CB 3.96Å; L533-A562 HydrophobicContact CG-CB 3.97Å; L533-L572 HydrophobicContact CD1-CD1 4.2Å; L533-R575 HydrophobicContact CD2-CB 4.46Å; L533-R575 HydrophobicContact CD2-CG 3.69Å; L533-C579 HydrophobicContact CD2-CB 4.44Å
534	S	93.9	Very high	91.5	Very high	8 Å²	8	38.3 Å²	38.3	6%	0.056	21%	0.211	C	C	.	.	H	α-helix	trans	-63.6	-42.4	174.9	-166.6	0	0	0	0	111.6	T532 V537 D538 K559 D563	T532-S534 PolarHBondContact O-N 3.32Å; S534-V537 PolarHBondContact O-N 3.21Å; S534-D538 PolarHBondContact O-N 3.04Å; S534-K559 VanDerWaalsContact OG-CE 3.3Å; S534-K559 WeakPolarHBondContact OG-CE 3.2Å; S534-D563 WeakPolarHBondContact CB-OD1 3.42Å; S534-D563 PolarHBondContact OG-OD1 3.29Å; S534-D563 PolarHBondContact OG-OD2 3.33Å
535	N	92.6	Very high	91.6	Very high	21 Å²	21	41.1 Å²	41.1	11%	0.112	22%	0.224	C	C	.	.	H	α-helix	trans	-70.4	-39.7	176.7	-178.1	-120.5	0	0	0	113	L68 T532 V537 D538 I539	L68-N535 PolarHBondContact O-ND2 3.16Å; T532-N535 CarbonylContact O-C 3.59Å; T532-N535 PolarHBondContact O-N 2.96Å; T532-N535 WeakPolarHBondContact OG1-CB 3.47Å; T532-N535 PolarHBondContact OG1-N 2.86Å; N535-V537 VanDerWaalsContact C-N 3.29Å; N535-V537 PolarHBondContact O-N 3.39Å; N535-D538 PolarHBondContact O-N 3.24Å; N535-I539 WeakPolarHBondContact O-CD1 3.21Å; N535-I539 VanDerWaalsContact O-CG1 3.24Å; N535-I539 WeakPolarHBondContact O-CG1 3.4Å; N535-I539 PolarHBondContact O-N 3.42Å; N535-I539 WeakPolarHBondContact OD1-CD1 3.41Å
536	L	93.1	Very high	91.6	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-57.3	-41.9	173.8	-74	176.5	0	0	0	111.8	F524 A525 L528 A531 T532 L533 I539 F540	F524-L536 HydrophobicContact CB-CD2 4.43Å; A525-L536 HydrophobicContact CB-CD1 3.7Å; L528-L536 HydrophobicContact CB-CD2 3.76Å; L528-L536 HydrophobicContact CD1-CD2 4.07Å; A531-L536 HydrophobicContact CB-CD2 3.66Å; A531-L536 HydrophobicContact CB-CG 3.88Å; T532-L536 WeakPolarHBondContact O-CG 3.41Å; T532-L536 PolarHBondContact O-N 3.47Å; L533-L536 PolarHBondContact O-N 3.14Å; L536-I539 PolarHBondContact O-N 3.5Å; L536-F540 VanDerWaalsContact O-CB 3.29Å; L536-F540 WeakPolarHBondContact O-CB 3.43Å; L536-F540 PolarHBondContact O-N 3.13Å
537	V	92.4	Very high	91.6	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.018	21%	0.213	C	C	.	.	H	α-helix	trans	-64.5	-44.5	175.8	167.1	0	0	0	0	111.4	I521 L533 S534 N535 I539 F540 V541 I555 F558 K559	I521-V537 HydrophobicContact CD1-CG2 4.26Å; L533-V537 WeakPolarHBondContact O-CG2 3.4Å; L533-V537 PolarHBondContact O-N 2.82Å; L533-V537 VanDerWaalsContact O-N 3.14Å; S534-V537 PolarHBondContact O-N 3.21Å; N535-V537 VanDerWaalsContact C-N 3.29Å; N535-V537 PolarHBondContact O-N 3.39Å; V537-I539 PolarHBondContact O-N 2.88Å; V537-F540 WeakPolarHBondContact O-CB 3.33Å; V537-F540 PolarHBondContact O-N 3.35Å; V537-V541 HydrophobicContact CG1-CG2 4.43Å; V537-V541 WeakPolarHBondContact O-CG2 3.43Å; V537-V541 PolarHBondContact O-N 3.12Å; V537-I555 HydrophobicContact CG1-CB 3.91Å; V537-I555 HydrophobicContact CG1-CD1 3.82Å; V537-I555 HydrophobicContact CG1-CG1 4.38Å; V537-I555 HydrophobicContact CG1-CG2 3.63Å; V537-F558 HydrophobicContact CG2-CD1 4.15Å; V537-F558 HydrophobicContact CG2-CE1 3.69Å; V537-K559 HydrophobicContact CG1-CD 4.31Å; V537-K559 HydrophobicContact CG1-CG 4.17Å
538	D	92	Very high	91.6	Very high	48 Å²	48	36.8 Å²	36.8	26%	0.257	23%	0.232	S	C	.	.	H	α-helix	trans	-61.8	-43.3	176.9	-77.1	-27.1	0	0	0	112.3	L68 S534 N535 F540 V541 S542 K559	L68-D538 HydrophobicContact CD1-CB 4.08Å; L68-D538 WeakPolarHBondContact CD1-O 3.24Å; L68-D538 HydrophobicContact CD2-CB 3.93Å; S534-D538 PolarHBondContact O-N 3.04Å; N535-D538 PolarHBondContact O-N 3.24Å; D538-F540 VanDerWaalsContact C-N 3.35Å; D538-V541 PolarHBondContact O-N 3.42Å; D538-S542 WeakPolarHBondContact O-CB 3.18Å; D538-S542 PolarHBondContact O-N 3.05Å; D538-K559 WeakPolarHBondContact OD1-CE 3.24Å; D538-K559 IonicContact OD1-NZ 2.77Å; D538-K559 PolarHBondContact OD1-NZ 3.3Å; D538-K559 WeakPolarHBondContact OD2-CE 3.46Å; D538-K559 IonicContact OD2-NZ 2.72Å; D538-K559 PolarHBondContact OD2-NZ 3.04Å
539	I	91.1	Very high	91.8	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-62.5	-44.6	175.7	-62.8	157.3	0	0	0	109.8	L68 M176 F524 L528 N535 L536 V537 S542 L543	L68-I539 HydrophobicContact CB-CG1 4.15Å; M176-I539 HydrophobicContact CE-CD1 3.42Å; M176-I539 VanDerWaalsContact CE-CD1 3.42Å; M176-I539 HydrophobicContact CE-CG1 4.05Å; M176-I539 HydrophobicContact SD-CB 4.42Å; M176-I539 HydrophobicContact SD-CD1 3.62Å; M176-I539 HydrophobicContact SD-CG1 3.89Å; M176-I539 HydrophobicContact SD-CG2 3.6Å; F524-I539 HydrophobicContact CE1-CG2 4.11Å; L528-I539 HydrophobicContact CD1-CD1 4.1Å; L528-I539 HydrophobicContact CD1-CG2 4.5Å; N535-I539 WeakPolarHBondContact O-CD1 3.21Å; N535-I539 VanDerWaalsContact O-CG1 3.24Å; N535-I539 WeakPolarHBondContact O-CG1 3.4Å; N535-I539 PolarHBondContact O-N 3.42Å; N535-I539 WeakPolarHBondContact OD1-CD1 3.41Å; L536-I539 PolarHBondContact O-N 3.5Å; V537-I539 PolarHBondContact O-N 2.88Å; I539-S542 PolarHBondContact O-N 3.26Å; I539-L543 HydrophobicContact CG2-CD1 3.76Å; I539-L543 HydrophobicContact CG2-CG 4.28Å; I539-L543 WeakPolarHBondContact O-CB 3.38Å; I539-L543 VanDerWaalsContact O-CG 3.31Å; I539-L543 WeakPolarHBondContact O-CG 3.34Å; I539-L543 PolarHBondContact O-N 3.23Å
540	F	92.4	Very high	92.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-57.6	-51.3	177.3	-175.6	-81.6	0	0	0	111.7	L189 P516 Q520 I521 F524 L536 V537 D538 S542 L543 S544	L189-F540 HydrophobicContact CD1-CE1 4.15Å; L189-F540 HydrophobicContact CD2-CE1 4.49Å; L189-F540 HydrophobicContact CD2-CZ 4.03Å; L189-F540 HydrophobicContact CG-CZ 4.47Å; P516-F540 HydrophobicContact CB-CD1 3.97Å; P516-F540 HydrophobicContact CB-CE1 3.67Å; P516-F540 HydrophobicContact CB-CZ 3.96Å; P516-F540 HydrophobicContact CG-CD1 3.58Å; P516-F540 HydrophobicContact CG-CE1 3.53Å; P516-F540 HydrophobicContact CG-CG 4.42Å; P516-F540 HydrophobicContact CG-CZ 4.33Å; Q520-F540 HydrophobicContact CB-CE2 3.86Å; Q520-F540 HydrophobicContact CB-CZ 4.28Å; Q520-F540 HydrophobicContact CG-CE2 4.44Å; I521-F540 HydrophobicContact CD1-CB 4.02Å; I521-F540 HydrophobicContact CD1-CD2 3.87Å; I521-F540 HydrophobicContact CD1-CG 3.89Å; F524-F540 HydrophobicContact CD1-CB 4.28Å; F524-F540 HydrophobicContact CD1-CD2 4.3Å; F524-F540 AromaticContact CD2-CD2 3.68Å; F524-F540 HydrophobicContact CD2-CD2 3.68Å; F524-F540 HydrophobicContact CD2-CE2 4.17Å; F524-F540 HydrophobicContact CE1-CB 3.99Å; F524-F540 HydrophobicContact CE1-CD2 4.05Å; F524-F540 HydrophobicContact CE1-CG 4.48Å; F524-F540 AromaticContact CE2-CD2 3.39Å; F524-F540 HydrophobicContact CE2-CD2 3.39Å; F524-F540 AromaticContact CE2-CE2 3.8Å; F524-F540 HydrophobicContact CE2-CE2 3.8Å; F524-F540 HydrophobicContact CE2-CG 4.47Å; F524-F540 HydrophobicContact CG-CD2 4.14Å; F524-F540 HydrophobicContact CZ-CB 4.28Å; F524-F540 AromaticContact CZ-CD2 3.62Å; F524-F540 HydrophobicContact CZ-CD2 3.62Å; F524-F540 HydrophobicContact CZ-CE2 4.34Å; F524-F540 HydrophobicContact CZ-CG 4.31Å; L536-F540 VanDerWaalsContact O-CB 3.29Å; L536-F540 WeakPolarHBondContact O-CB 3.43Å; L536-F540 PolarHBondContact O-N 3.13Å; V537-F540 WeakPolarHBondContact O-CB 3.33Å; V537-F540 PolarHBondContact O-N 3.35Å; D538-F540 VanDerWaalsContact C-N 3.35Å; F540-S542 VanDerWaalsContact C-N 3.34Å; F540-S542 PolarHBondContact O-N 3.29Å; F540-L543 PolarHBondContact O-N 3.32Å; F540-S544 VanDerWaalsContact O-CB 3.3Å; F540-S544 WeakPolarHBondContact O-CB 3.27Å; F540-S544 PolarHBondContact O-N 3.3Å
541	V	91.9	Very high	92.5	Very high	56 Å²	56	30.1 Å²	30.1	34%	0.339	19%	0.188	S	C	.	.	H	α-helix	trans	-62.7	-42.4	179.4	175.9	0	0	0	0	110.7	V537 D538 L543 S544 V552 I555	V537-V541 HydrophobicContact CG1-CG2 4.43Å; V537-V541 WeakPolarHBondContact O-CG2 3.43Å; V537-V541 PolarHBondContact O-N 3.12Å; D538-V541 PolarHBondContact O-N 3.42Å; V541-L543 VanDerWaalsContact C-N 3.34Å; V541-L543 PolarHBondContact O-N 3.32Å; V541-S544 PolarHBondContact O-N 3.49Å; V541-S544 PolarHBondContact O-OG 3.17Å; V541-V552 HydrophobicContact CG2-CG1 4.13Å; V541-I555 HydrophobicContact CG2-CD1 3.78Å
542	S	90.1	Very high	92.7	Very high	39 Å²	39	30.2 Å²	30.2	27%	0.273	19%	0.186	S	C	.	.	H	α-helix	trans	-63.5	-35	178.6	-171.8	0	0	0	0	113.7	D65 L68 D538 I539 F540	D65-S542 WeakPolarHBondContact CB-OG 3.49Å; D65-S542 PolarHBondContact N-OG 2.95Å; L68-S542 VanDerWaalsContact CD1-CB 3.5Å; D538-S542 WeakPolarHBondContact O-CB 3.18Å; D538-S542 PolarHBondContact O-N 3.05Å; I539-S542 PolarHBondContact O-N 3.26Å; F540-S542 VanDerWaalsContact C-N 3.34Å; F540-S542 PolarHBondContact O-N 3.29Å
543	L	90.4	Very high	92.8	Very high	12 Å²	12	28.3 Å²	28.3	6%	0.063	18%	0.175	C	C	.	.	H	α-helix	trans	-90.3	-10.3	177.3	-63.5	-179.2	0	0	0	114	P64 M180 L183 S187 F524 I539 F540 V541	P64-L543 HydrophobicContact CB-CD2 3.8Å; M180-L543 HydrophobicContact SD-CD1 3.97Å; M180-L543 HydrophobicContact SD-CD2 3.64Å; M180-L543 HydrophobicContact SD-CG 4.49Å; L183-L543 HydrophobicContact CB-CD1 3.63Å; L183-L543 HydrophobicContact CD1-CD1 4.03Å; L183-L543 HydrophobicContact CG-CD1 4.48Å; S187-L543 PolarHBondContact OG-O 3.13Å; F524-L543 HydrophobicContact CE1-CD1 4.4Å; I539-L543 HydrophobicContact CG2-CD1 3.76Å; I539-L543 HydrophobicContact CG2-CG 4.28Å; I539-L543 WeakPolarHBondContact O-CB 3.38Å; I539-L543 VanDerWaalsContact O-CG 3.31Å; I539-L543 WeakPolarHBondContact O-CG 3.34Å; I539-L543 PolarHBondContact O-N 3.23Å; F540-L543 PolarHBondContact O-N 3.32Å; V541-L543 VanDerWaalsContact C-N 3.34Å; V541-L543 PolarHBondContact O-N 3.32Å
544	S	91.9	Very high	92.7	Very high	27 Å²	27	31.3 Å²	31.3	19%	0.189	19%	0.19	C	C	.	.			trans	-66.2	142	-174	68.7	0	0	0	0	113	S187 F540 V541	S187-S544 VanDerWaalsContact O-CA 3.29Å; S187-S544 WeakPolarHBondContact O-CA 3.48Å; F540-S544 VanDerWaalsContact O-CB 3.3Å; F540-S544 WeakPolarHBondContact O-CB 3.27Å; F540-S544 PolarHBondContact O-N 3.3Å; V541-S544 PolarHBondContact O-N 3.49Å; V541-S544 PolarHBondContact O-OG 3.17Å
545	Q	92.2	Very high	92.5	Very high	58 Å²	58	31.5 Å²	31.5	27%	0.271	19%	0.191	S	C	.	.	B	Isolated β-bridge	trans	-119.3	124.3	174.2	-68.6	177.1	47.7	0	0	108.6	S187 L189 R190	S187-Q545 PolarHBondContact O-N 3.39Å; L189-Q545 CarbonylContact C-O 3.5Å; L189-Q545 VanDerWaalsContact CA-O 3.28Å; L189-Q545 WeakPolarHBondContact CA-O 2.95Å; L189-Q545 WeakPolarHBondContact CB-O 3.38Å; L189-Q545 PolarHBondContact N-O 2.8Å; R190-Q545 HydrophobicContact CG-CB 4.36Å; R190-Q545 PolarHBondContact N-O 2.91Å
546	V	92.8	Very high	92.3	Very high	51 Å²	51	34.1 Å²	34.1	31%	0.309	21%	0.205	S	C	.	.			trans	-121.8	147.8	177.9	-69.1	0	0	0	0	109.4	L189 L514 Y550 V552	L189-V546 HydrophobicContact CB-CG1 3.96Å; L189-V546 HydrophobicContact CD1-CG1 4.26Å; L514-V546 HydrophobicContact CD1-CG1 4.03Å; V546-Y550 WeakPolarHBondContact CG2-O 3.29Å; V546-V552 HydrophobicContact CG1-CG2 3.93Å
547	D	90.1	Very high	92.2	Very high	58 Å²	58	37.8 Å²	37.8	31%	0.31	22%	0.224	S	C	.	.			trans	-71.1	156.1	168.1	-60.7	-52.6	0	0	0	109.9	R190 V191 L549 Y550	R190-D547 WeakPolarHBondContact CA-OD2 3.42Å; R190-D547 WeakPolarHBondContact CG-OD1 3.47Å; V191-D547 PolarHBondContact N-OD2 2.83Å; D547-L549 PolarHBondContact O-N 2.8Å; D547-Y550 HydrophobicContact CB-CD2 4.05Å; D547-Y550 HydrophobicContact CB-CE2 4.31Å; D547-Y550 PolarHBondContact O-N 3.03Å
548	G	90.7	Very high	92.3	Very high	74 Å²	74	38.2 Å²	38.2	76%	0.763	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-10.3	-170.6	0	0	0	0	0	116.5	Y550	G548-Y550 VanDerWaalsContact C-N 3.34Å
549	L	94.1	Very high	92.3	Very high	30 Å²	30	37.9 Å²	37.9	16%	0.157	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	2	175	-58.3	178.2	0	0	0	113.2	F332 E335 T339 T511 A512 D547	F332-L549 HydrophobicContact CE2-CB 4.22Å; F332-L549 HydrophobicContact CE2-CD2 4.33Å; E335-L549 HydrophobicContact CG-CD1 4Å; E335-L549 HydrophobicContact CG-CD2 4.12Å; T339-L549 HydrophobicContact CG2-CD1 4.1Å; T511-L549 CarbonylContact C-O 3.57Å; T511-L549 VanDerWaalsContact CA-O 3.27Å; T511-L549 WeakPolarHBondContact CA-O 3.49Å; A512-L549 PolarHBondContact N-O 3.36Å; D547-L549 PolarHBondContact O-N 2.8Å
550	Y	96.8	Very high	92.5	Very high	13 Å²	13	41.5 Å²	41.5	5%	0.051	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	156.8	-174.8	-52.9	-87.8	0	0	0	113	P192 T310 L314 L336 A512 L514 V546 D547 G548	P192-Y550 HydrophobicContact CB-CE1 4.24Å; P192-Y550 HydrophobicContact CG-CD1 4.21Å; P192-Y550 HydrophobicContact CG-CD2 4.12Å; P192-Y550 HydrophobicContact CG-CE1 3.86Å; P192-Y550 HydrophobicContact CG-CE2 3.76Å; P192-Y550 HydrophobicContact CG-CG 4.32Å; T310-Y550 HydrophobicContact CG2-CD1 4.25Å; T310-Y550 HydrophobicContact CG2-CE1 3.93Å; L314-Y550 HydrophobicContact CD1-CE1 4.37Å; L336-Y550 HydrophobicContact CD1-CE1 3.84Å; L336-Y550 WeakPolarHBondContact CD1-OH 3.46Å; A512-Y550 HydrophobicContact CB-CD1 3.78Å; A512-Y550 HydrophobicContact CB-CE1 4.16Å; A512-Y550 CarbonylContact O-C 3.33Å; A512-Y550 WeakPolarHBondContact O-CA 3.47Å; L514-Y550 HydrophobicContact CD1-CD1 3.95Å; L514-Y550 HydrophobicContact CD1-CG 3.81Å; L514-Y550 HydrophobicContact CD2-CD1 4.04Å; L514-Y550 HydrophobicContact CD2-CE1 4.44Å; L514-Y550 HydrophobicContact CG-CD1 3.92Å; L514-Y550 HydrophobicContact CG-CG 4.23Å; V546-Y550 WeakPolarHBondContact CG2-O 3.29Å; D547-Y550 HydrophobicContact CB-CD2 4.05Å; D547-Y550 HydrophobicContact CB-CE2 4.31Å; D547-Y550 PolarHBondContact O-N 3.03Å; G548-Y550 VanDerWaalsContact C-N 3.34Å
551	F	95.9	Very high	92.7	Very high	48 Å²	48	41.8 Å²	41.8	21%	0.211	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	156.9	169.7	71.3	-82.7	0	0	0	110	T511 A512 G513 L514	T511-F551 WeakPolarHBondContact OG1-CD1 3.35Å; A512-F551 VanDerWaalsContact C-CE1 3.46Å; A512-F551 WeakPolarHBondContact O-CD1 3.5Å; A512-F551 PolarHBondContact O-N 3.37Å; G513-F551 CarbonylContact C-O 3.47Å; G513-F551 VanDerWaalsContact CA-CE1 3.44Å; G513-F551 WeakPolarHBondContact CA-O 3.32Å; L514-F551 PolarHBondContact N-O 2.88Å
552	V	95	Very high	92.8	Very high	29 Å²	29	39.2 Å²	39.2	18%	0.176	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	125.2	172.3	-174.2	0	0	0	0	109.1	L189 L514 V541 V546 I555	L189-V552 HydrophobicContact CD1-CG2 4.03Å; L514-V552 CarbonylContact O-C 3.56Å; L514-V552 WeakPolarHBondContact O-CA 3.45Å; V541-V552 HydrophobicContact CG2-CG1 4.13Å; V546-V552 HydrophobicContact CG1-CG2 3.93Å; V552-I555 HydrophobicContact CG1-CD1 4.27Å
553	C	95.6	Very high	93.1	Very high	4 Å²	4	40.9 Å²	40.9	3%	0.027	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-58.7	152.3	178.2	-74.5	0	0	0	0	111.9	P303 L514 I555	P303-C553 CarbonylContact O-C 3.53Å; P303-C553 WeakPolarHBondContact O-CA 3.39Å; P303-C553 VanDerWaalsContact O-CB 3.24Å; P303-C553 WeakPolarHBondContact O-CB 3.48Å; L514-C553 WeakPolarHBondContact O-CB 3.44Å; L514-C553 PolarHBondContact O-N 3.14Å; C553-I555 WeakPolarHBondContact O-CG1 3.45Å
554	N	91.5	Very high	93.4	Very high	73 Å²	73	42.1 Å²	42.1	39%	0.39	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-62.1	132.5	172.2	178.1	-59.4	0	0	0	110.5	P303 D556	P303-N554 PolarHBondContact O-N 3.13Å; N554-D556 PolarHBondContact ND2-OD2 2.88Å; N554-D556 VanDerWaalsContact OD1-CB 3.25Å; N554-D556 WeakPolarHBondContact OD1-CB 3.37Å; N554-D556 VanDerWaalsContact OD1-CG 3.29Å; N554-D556 PolarHBondContact OD1-N 3.25Å; N554-D556 PolarHBondContact OD1-OD2 2.91Å
555	I	89.4	Confident	93.6	Very high	12 Å²	12	40.9 Å²	40.9	6%	0.062	23%	0.227	C	C	.	.			trans	-117.9	14.1	-173.4	-40.1	-174.4	0	0	0	110.9	P516 V537 V541 V552 C553 D557 F558 K559	P516-I555 HydrophobicContact CG-CD1 3.74Å; V537-I555 HydrophobicContact CG1-CB 3.91Å; V537-I555 HydrophobicContact CG1-CD1 3.82Å; V537-I555 HydrophobicContact CG1-CG1 4.38Å; V537-I555 HydrophobicContact CG1-CG2 3.63Å; V541-I555 HydrophobicContact CG2-CD1 3.78Å; V552-I555 HydrophobicContact CG1-CD1 4.27Å; C553-I555 WeakPolarHBondContact O-CG1 3.45Å; I555-D557 VanDerWaalsContact C-N 3.34Å; I555-D557 PolarHBondContact O-N 3.07Å; I555-F558 HydrophobicContact CG2-CB 3.64Å; I555-F558 HydrophobicContact CG2-CD1 3.82Å; I555-F558 HydrophobicContact CG2-CG 3.88Å; I555-F558 PolarHBondContact O-N 2.67Å; I555-K559 WeakPolarHBondContact O-CG 3.44Å; I555-K559 PolarHBondContact O-N 3.19Å
556	D	90	Very high	93.8	Very high	76 Å²	76	43 Å²	43	41%	0.406	24%	0.237	S	C	.	.	H	α-helix	trans	-62.2	-37.5	-173.7	-69	-26.6	0	0	0	113.3	N554 F560	N554-D556 PolarHBondContact ND2-OD2 2.88Å; N554-D556 VanDerWaalsContact OD1-CB 3.25Å; N554-D556 WeakPolarHBondContact OD1-CB 3.37Å; N554-D556 VanDerWaalsContact OD1-CG 3.29Å; N554-D556 PolarHBondContact OD1-N 3.25Å; N554-D556 PolarHBondContact OD1-OD2 2.91Å; D556-F560 VanDerWaalsContact O-CB 3.27Å; D556-F560 WeakPolarHBondContact O-CB 3.34Å; D556-F560 PolarHBondContact O-N 3.24Å
557	D	90.4	Very high	94	Very high	81 Å²	81	46.2 Å²	46.2	43%	0.433	25%	0.249	S	C	.	.	H	α-helix	trans	-66.8	-44.2	177.1	-76.5	-15.6	0	0	0	110.9	I555 F560 L561 K585	I555-D557 VanDerWaalsContact C-N 3.34Å; I555-D557 PolarHBondContact O-N 3.07Å; D557-F560 PolarHBondContact O-N 3.03Å; D557-L561 WeakPolarHBondContact O-CG 3.41Å; D557-L561 PolarHBondContact O-N 3.26Å; D557-L561 VanDerWaalsContact O-N 3.14Å; D557-K585 VanDerWaalsContact OD1-CD 3.27Å; D557-K585 WeakPolarHBondContact OD1-CD 3.49Å; D557-K585 WeakPolarHBondContact OD1-CE 3.47Å; D557-K585 IonicContact OD1-NZ 3.25Å; D557-K585 PolarHBondContact OD1-NZ 3.18Å
558	F	93.4	Very high	94.3	Very high	13 Å²	13	43.7 Å²	43.7	6%	0.057	24%	0.235	C	C	.	.	H	α-helix	trans	-63.8	-43.2	175.9	174.5	-74.8	0	0	0	111.6	L533 V537 I555 L561 A562 Y576 C579 T580	L533-F558 HydrophobicContact CD1-CE1 4.05Å; L533-F558 HydrophobicContact CD1-CZ 4.12Å; L533-F558 HydrophobicContact CD2-CE1 3.95Å; L533-F558 HydrophobicContact CD2-CZ 3.88Å; L533-F558 HydrophobicContact CG-CE1 3.85Å; L533-F558 HydrophobicContact CG-CZ 4.16Å; V537-F558 HydrophobicContact CG2-CD1 4.15Å; V537-F558 HydrophobicContact CG2-CE1 3.69Å; I555-F558 HydrophobicContact CG2-CB 3.64Å; I555-F558 HydrophobicContact CG2-CD1 3.82Å; I555-F558 HydrophobicContact CG2-CG 3.88Å; I555-F558 PolarHBondContact O-N 2.67Å; F558-L561 PolarHBondContact O-N 3.47Å; F558-A562 WeakPolarHBondContact O-CB 3.19Å; F558-A562 PolarHBondContact O-N 2.93Å; F558-Y576 HydrophobicContact CE2-CD1 4.38Å; F558-Y576 AromaticContact CE2-CD2 3.83Å; F558-Y576 HydrophobicContact CE2-CD2 3.83Å; F558-Y576 HydrophobicContact CE2-CE1 4.39Å; F558-Y576 AromaticContact CE2-CE2 3.83Å; F558-Y576 HydrophobicContact CE2-CE2 3.83Å; F558-Y576 HydrophobicContact CE2-CG 4.1Å; F558-Y576 AromaticContact CZ-CD2 3.58Å; F558-Y576 HydrophobicContact CZ-CD2 3.58Å; F558-Y576 AromaticContact CZ-CE2 3.79Å; F558-Y576 HydrophobicContact CZ-CE2 3.79Å; F558-Y576 HydrophobicContact CZ-CG 4.16Å; F558-C579 WeakPolarHBondContact CA-O 3.47Å; F558-C579 HydrophobicContact CD1-CB 4.16Å; F558-C579 VanDerWaalsContact CD2-C 3.45Å; F558-C579 HydrophobicContact CD2-CB 3.48Å; F558-C579 VanDerWaalsContact CD2-CB 3.48Å; F558-C579 VanDerWaalsContact CD2-O 3.27Å; F558-C579 WeakPolarHBondContact CD2-O 3.13Å; F558-C579 HydrophobicContact CE1-CB 4.07Å; F558-C579 HydrophobicContact CE2-CB 3.4Å; F558-C579 VanDerWaalsContact CE2-CB 3.4Å; F558-C579 HydrophobicContact CG-CB 3.86Å; F558-C579 HydrophobicContact CZ-CB 3.71Å; F558-T580 HydrophobicContact CD2-CG2 3.87Å; F558-T580 HydrophobicContact CE2-CG2 3.85Å
559	K	93.6	Very high	94.5	Very high	40 Å²	40	45 Å²	45	17%	0.174	23%	0.23	C	C	.	.	H	α-helix	trans	-60.8	-47	175.4	-74.6	179.1	66.4	-176.4	0	112	S534 V537 D538 I555 L561 A562 D563	S534-K559 VanDerWaalsContact OG-CE 3.3Å; S534-K559 WeakPolarHBondContact OG-CE 3.2Å; V537-K559 HydrophobicContact CG1-CD 4.31Å; V537-K559 HydrophobicContact CG1-CG 4.17Å; D538-K559 WeakPolarHBondContact OD1-CE 3.24Å; D538-K559 IonicContact OD1-NZ 2.77Å; D538-K559 PolarHBondContact OD1-NZ 3.3Å; D538-K559 WeakPolarHBondContact OD2-CE 3.46Å; D538-K559 IonicContact OD2-NZ 2.72Å; D538-K559 PolarHBondContact OD2-NZ 3.04Å; I555-K559 WeakPolarHBondContact O-CG 3.44Å; I555-K559 PolarHBondContact O-N 3.19Å; K559-L561 PolarHBondContact O-N 3.1Å; K559-A562 WeakPolarHBondContact O-CB 3.41Å; K559-A562 PolarHBondContact O-N 3.04Å; K559-D563 PolarHBondContact O-N 3.32Å
560	F	94.6	Very high	94.6	Very high	78 Å²	78	44.5 Å²	44.5	34%	0.342	23%	0.228	S	C	.	.	H	α-helix	trans	-54.9	-40.1	175.5	171.1	-98.1	0	0	0	112.3	D556 D557 M564 K585	D556-F560 VanDerWaalsContact O-CB 3.27Å; D556-F560 WeakPolarHBondContact O-CB 3.34Å; D556-F560 PolarHBondContact O-N 3.24Å; D557-F560 PolarHBondContact O-N 3.03Å; F560-M564 HydrophobicContact CD1-CE 4.03Å; F560-M564 HydrophobicContact CE1-CE 3.23Å; F560-M564 HydrophobicContact CE2-CE 4.32Å; F560-M564 HydrophobicContact CZ-CE 3.41Å; F560-M564 VanDerWaalsContact CZ-CE 3.41Å; F560-M564 WeakPolarHBondContact O-CB 3.28Å; F560-M564 PolarHBondContact O-N 2.94Å; F560-K585 HydrophobicContact CD1-CB 3.73Å; F560-K585 HydrophobicContact CD1-CD 4.26Å; F560-K585 HydrophobicContact CE1-CB 3.35Å; F560-K585 HydrophobicContact CG-CB 4.5Å; F560-K585 HydrophobicContact CG-CD 4.33Å; F560-K585 HydrophobicContact CZ-CB 3.84Å
561	L	95.7	Very high	94.4	Very high	5 Å²	5	48.3 Å²	48.3	3%	0.026	25%	0.249	C	C	.	.	H	α-helix	trans	-71.5	-41.5	174.1	-61	-174.7	0	0	0	112.6	D557 F558 K559 D563 M564 I565 C579 A581 I583 F594	D557-L561 WeakPolarHBondContact O-CG 3.41Å; D557-L561 PolarHBondContact O-N 3.26Å; D557-L561 VanDerWaalsContact O-N 3.14Å; F558-L561 PolarHBondContact O-N 3.47Å; K559-L561 PolarHBondContact O-N 3.1Å; L561-D563 VanDerWaalsContact C-N 3.35Å; L561-D563 PolarHBondContact O-N 3.29Å; L561-M564 HydrophobicContact CD2-CE 4.24Å; L561-M564 WeakPolarHBondContact O-CB 3.15Å; L561-M564 PolarHBondContact O-N 3.2Å; L561-I565 WeakPolarHBondContact O-CG1 3.1Å; L561-I565 PolarHBondContact O-N 2.85Å; L561-I565 VanDerWaalsContact O-N 3.1Å; L561-C579 HydrophobicContact CB-CB 4.32Å; L561-A581 WeakPolarHBondContact CD1-O 3.14Å; L561-I583 HydrophobicContact CD1-CG1 4.24Å; L561-I583 HydrophobicContact CD2-CD1 3.39Å; L561-I583 HydrophobicContact CD2-CG1 3.69Å; L561-F594 HydrophobicContact CB-CE1 3.9Å; L561-F594 HydrophobicContact CB-CZ 3.88Å; L561-F594 HydrophobicContact CD1-CE1 4.45Å; L561-F594 HydrophobicContact CD1-CE2 4.26Å; L561-F594 HydrophobicContact CD1-CZ 3.97Å; L561-F594 HydrophobicContact CD2-CD1 4.04Å; L561-F594 HydrophobicContact CD2-CE1 3.73Å; L561-F594 HydrophobicContact CD2-CZ 4.1Å; L561-F594 HydrophobicContact CG-CE1 4.21Å; L561-F594 HydrophobicContact CG-CZ 4.18Å
562	A	95.8	Very high	94.2	Very high	3 Å²	3	48 Å²	48	3%	0.025	25%	0.249	C	C	.	.	H	α-helix	trans	-58.3	-45.3	178.2	0	0	0	0	0	112.2	L533 F558 K559 Q566 C579	L533-A562 HydrophobicContact CB-CB 4.1Å; L533-A562 HydrophobicContact CD2-CB 3.96Å; L533-A562 HydrophobicContact CG-CB 3.97Å; F558-A562 WeakPolarHBondContact O-CB 3.19Å; F558-A562 PolarHBondContact O-N 2.93Å; K559-A562 WeakPolarHBondContact O-CB 3.41Å; K559-A562 PolarHBondContact O-N 3.04Å; A562-Q566 PolarHBondContact O-N 3.06Å; A562-C579 WeakPolarHBondContact CA-SG 3.45Å; A562-C579 PolarHBondContact N-SG 2.84Å; A562-C579 VanDerWaalsContact N-SG 3.42Å
563	D	96.1	Very high	94.1	Very high	74 Å²	74	51.2 Å²	51.2	40%	0.396	26%	0.258	S	S	.	.	H	α-helix	trans	-66.6	-40.7	176.3	-66.7	-37	0	0	0	111.3	S534 K559 L561 I565 Q566	S534-D563 WeakPolarHBondContact CB-OD1 3.42Å; S534-D563 PolarHBondContact OG-OD1 3.29Å; S534-D563 PolarHBondContact OG-OD2 3.33Å; K559-D563 PolarHBondContact O-N 3.32Å; L561-D563 VanDerWaalsContact C-N 3.35Å; L561-D563 PolarHBondContact O-N 3.29Å; D563-I565 VanDerWaalsContact C-N 3.33Å; D563-I565 PolarHBondContact O-N 3.04Å; D563-Q566 WeakPolarHBondContact O-CB 3.45Å; D563-Q566 PolarHBondContact O-N 3.39Å
564	M	95.9	Very high	94	Very high	38 Å²	38	51.7 Å²	51.7	19%	0.187	26%	0.261	C	S	.	.	H	α-helix	trans	-59.6	-39	178.2	-170.6	-174.4	-52.4	0	0	113.1	F560 L561 H567 C591 F594 L595	F560-M564 HydrophobicContact CD1-CE 4.03Å; F560-M564 HydrophobicContact CE1-CE 3.23Å; F560-M564 HydrophobicContact CE2-CE 4.32Å; F560-M564 HydrophobicContact CZ-CE 3.41Å; F560-M564 VanDerWaalsContact CZ-CE 3.41Å; F560-M564 WeakPolarHBondContact O-CB 3.28Å; F560-M564 PolarHBondContact O-N 2.94Å; L561-M564 HydrophobicContact CD2-CE 4.24Å; L561-M564 WeakPolarHBondContact O-CB 3.15Å; L561-M564 PolarHBondContact O-N 3.2Å; M564-H567 PolarHBondContact O-CE1 3.22Å; M564-H567 PolarHBondContact O-ND1 3.15Å; M564-C591 HydrophobicContact CE-CB 3.78Å; M564-C591 HydrophobicContact SD-CB 4.07Å; M564-F594 HydrophobicContact SD-CD1 3.82Å; M564-F594 HydrophobicContact SD-CE1 4.44Å; M564-L595 HydrophobicContact CG-CD1 4.22Å; M564-L595 HydrophobicContact SD-CB 4.41Å
565	I	97.1	Very high	94.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	8	-178.8	70.4	-176.9	0	0	0	113.9	L561 D563 H567 I568 L570 R575 F578 F594 A598	L561-I565 WeakPolarHBondContact O-CG1 3.1Å; L561-I565 PolarHBondContact O-N 2.85Å; L561-I565 VanDerWaalsContact O-N 3.1Å; D563-I565 VanDerWaalsContact C-N 3.33Å; D563-I565 PolarHBondContact O-N 3.04Å; I565-H567 PolarHBondContact O-N 2.91Å; I565-H567 VanDerWaalsContact O-N 3.16Å; I565-I568 HydrophobicContact CB-CD1 4.06Å; I565-I568 HydrophobicContact CB-CG1 4.38Å; I565-I568 HydrophobicContact CG2-CD1 4.03Å; I565-I568 WeakPolarHBondContact O-CB 3.37Å; I565-I568 PolarHBondContact O-N 2.89Å; I565-L570 HydrophobicContact CD1-CD1 3.98Å; I565-R575 HydrophobicContact CD1-CG 4.17Å; I565-R575 HydrophobicContact CG1-CG 4.42Å; I565-R575 PolarHBondContact O-NH1 3.1Å; I565-F578 HydrophobicContact CD1-CB 3.84Å; I565-F594 HydrophobicContact CD1-CE1 4.33Å; I565-F594 HydrophobicContact CD1-CZ 4.1Å; I565-F594 HydrophobicContact CG2-CD1 4.03Å; I565-F594 HydrophobicContact CG2-CE1 3.49Å; I565-F594 VanDerWaalsContact CG2-CE1 3.49Å; I565-F594 HydrophobicContact CG2-CZ 4.24Å; I565-A598 HydrophobicContact CB-CB 4.48Å; I565-A598 HydrophobicContact CG2-CB 3.9Å
566	Q	96	Very high	94.5	Very high	103 Å²	103	50.2 Å²	50.2	48%	0.481	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-41.6	-178.9	-177.6	-176.5	-32.1	0	0	112.3	T532 A562 D563 I568	T532-Q566 HydrophobicContact CG2-CG 4.41Å; T532-Q566 VanDerWaalsContact CG2-NE2 3.35Å; A562-Q566 PolarHBondContact O-N 3.06Å; D563-Q566 WeakPolarHBondContact O-CB 3.45Å; D563-Q566 PolarHBondContact O-N 3.39Å; Q566-I568 PolarHBondContact O-N 3.2Å
567	H	95.9	Very high	94.8	Very high	118 Å²	118	47.9 Å²	47.9	55%	0.546	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-6.5	-179.5	70	-83.4	0	0	0	114.9	M564 I565	M564-H567 PolarHBondContact O-CE1 3.22Å; M564-H567 PolarHBondContact O-ND1 3.15Å; I565-H567 PolarHBondContact O-N 2.91Å; I565-H567 VanDerWaalsContact O-N 3.16Å
568	I	96.9	Very high	95.1	Very high	5 Å²	5	44 Å²	44	3%	0.026	22%	0.218	C	C	.	.	S	Bend	trans	-94	129	-179.9	-55.2	-175.9	0	0	0	108.7	I565 Q566 L570 R575 L595 A598 R599 S602	I565-I568 HydrophobicContact CB-CD1 4.06Å; I565-I568 HydrophobicContact CB-CG1 4.38Å; I565-I568 HydrophobicContact CG2-CD1 4.03Å; I565-I568 WeakPolarHBondContact O-CB 3.37Å; I565-I568 PolarHBondContact O-N 2.89Å; Q566-I568 PolarHBondContact O-N 3.2Å; I568-L570 HydrophobicContact CG2-CD1 4.46Å; I568-L570 HydrophobicContact CG2-CD2 4.34Å; I568-L570 HydrophobicContact CG2-CG 4.03Å; I568-L570 PolarHBondContact O-N 2.8Å; I568-R575 PolarHBondContact O-NH1 2.64Å; I568-R575 PolarHBondContact O-NH2 3.36Å; I568-L595 HydrophobicContact CD1-CG 4.42Å; I568-A598 HydrophobicContact CD1-CB 3.77Å; I568-R599 HydrophobicContact CD1-CB 4.28Å; I568-S602 VanDerWaalsContact CG2-CB 3.47Å; I568-S602 WeakPolarHBondContact CG2-OG 3.31Å
569	P	95.6	Very high	95.2	Very high	102 Å²	102	43.5 Å²	43.5	66%	0.662	22%	0.216	S	C	*	.			trans	-73.8	96.9	179.3	30.1	-33.3	0	0	0	110.4	S602	P569-S602 WeakPolarHBondContact O-CB 3.43Å
570	L	95.1	Very high	95.2	Very high	19 Å²	19	44.2 Å²	44.2	10%	0.099	22%	0.224	C	C	.	.			trans	-124.2	140.7	174.2	-62.7	176.7	0	0	0	109	I565 I568 R575 F578 A598 F601	I565-L570 HydrophobicContact CD1-CD1 3.98Å; I568-L570 HydrophobicContact CG2-CD1 4.46Å; I568-L570 HydrophobicContact CG2-CD2 4.34Å; I568-L570 HydrophobicContact CG2-CG 4.03Å; I568-L570 PolarHBondContact O-N 2.8Å; L570-R575 HydrophobicContact CB-CB 4.1Å; L570-R575 HydrophobicContact CD1-CB 4.44Å; L570-R575 PolarHBondContact O-NH2 3.17Å; L570-R575 VanDerWaalsContact O-NH2 3.12Å; L570-F578 HydrophobicContact CD1-CD2 4.42Å; L570-A598 HydrophobicContact CD1-CB 4.37Å; L570-F601 HydrophobicContact CD2-CD1 3.57Å; L570-F601 HydrophobicContact CD2-CE1 4.12Å
571	N	92.9	Very high	95.3	Very high	94 Å²	94	40.7 Å²	40.7	50%	0.503	21%	0.209	S	C	.	.			trans	-59.9	156.4	164	76	64.6	0	0	0	109.8	R573 S574 R575	N571-R573 PolarHBondContact O-N 2.89Å; N571-R573 PolarHBondContact OD1-N 3.47Å; N571-R573 VanDerWaalsContact OD1-N 3.14Å; N571-S574 PolarHBondContact ND2-OG 2.94Å; N571-S574 PolarHBondContact O-N 3.45Å; N571-S574 WeakPolarHBondContact OD1-CB 3.45Å; N571-S574 PolarHBondContact OD1-N 3.29Å; N571-S574 PolarHBondContact OD1-OG 3.14Å; N571-R575 WeakPolarHBondContact O-CB 3.5Å; N571-R575 PolarHBondContact O-N 2.99Å
572	L	91.9	Very high	95.1	Very high	42 Å²	42	44.4 Å²	44.4	22%	0.22	23%	0.233	C	C	.	.	H	α-helix	trans	-63.3	-41.8	-171.5	-175	67.5	0	0	0	113.1	E522 A525 L533 R575 Y576	E522-L572 HydrophobicContact CB-CD2 4.06Å; E522-L572 HydrophobicContact CG-CD2 4.26Å; A525-L572 HydrophobicContact CB-CD1 4.39Å; A525-L572 HydrophobicContact CB-CD2 3.25Å; A525-L572 HydrophobicContact CB-CG 4.43Å; L533-L572 HydrophobicContact CD1-CD1 4.2Å; L572-R575 PolarHBondContact O-N 3.22Å; L572-Y576 WeakPolarHBondContact O-CB 3.28Å; L572-Y576 PolarHBondContact O-N 3.01Å
573	R	92.3	Very high	95	Very high	96 Å²	96	45.5 Å²	45.5	36%	0.362	24%	0.238	S	C	.	.	H	α-helix	trans	-63.4	-46.9	-178.8	-169.3	68	-179.3	-155.1	7.1	111.9	E519 E522 N571 Y576 V577	E519-R573 IonicContact OE1-CZ 3.81Å; E519-R573 IonicContact OE1-NH1 3.8Å; E519-R573 PolarHBondContact OE1-NH1 3.12Å; E519-R573 IonicContact OE1-NH2 3.69Å; E519-R573 PolarHBondContact OE1-NH2 3.07Å; E522-R573 IonicContact OE2-NH1 2.6Å; N571-R573 PolarHBondContact O-N 2.89Å; N571-R573 PolarHBondContact OD1-N 3.47Å; N571-R573 VanDerWaalsContact OD1-N 3.14Å; R573-Y576 PolarHBondContact O-N 3.31Å; R573-V577 WeakPolarHBondContact O-CG2 3.44Å; R573-V577 PolarHBondContact O-N 3.17Å; R573-V577 VanDerWaalsContact O-N 3.07Å
574	S	94.8	Very high	94.7	Very high	13 Å²	13	44.6 Å²	44.6	9%	0.091	23%	0.234	C	C	.	.	H	α-helix	trans	-61.2	-46.3	173.7	-64.8	0	0	0	0	111	N571 Y576 V577 F578	N571-S574 PolarHBondContact ND2-OG 2.94Å; N571-S574 PolarHBondContact O-N 3.45Å; N571-S574 WeakPolarHBondContact OD1-CB 3.45Å; N571-S574 PolarHBondContact OD1-N 3.29Å; N571-S574 PolarHBondContact OD1-OG 3.14Å; S574-Y576 PolarHBondContact O-N 3.47Å; S574-V577 PolarHBondContact O-N 3.45Å; S574-F578 WeakPolarHBondContact O-CD2 3.3Å; S574-F578 PolarHBondContact O-N 3.25Å
575	R	95.9	Very high	94.5	Very high	32 Å²	32	47 Å²	47	12%	0.121	24%	0.243	C	C	.	.	H	α-helix	trans	-57.1	-47.9	177.6	-171.5	-174.5	-60.2	-76.6	-4.1	111.7	L533 I565 I568 L570 N571 L572 V577 F578 C579	L533-R575 HydrophobicContact CD2-CB 4.46Å; L533-R575 HydrophobicContact CD2-CG 3.69Å; I565-R575 HydrophobicContact CD1-CG 4.17Å; I565-R575 HydrophobicContact CG1-CG 4.42Å; I565-R575 PolarHBondContact O-NH1 3.1Å; I568-R575 PolarHBondContact O-NH1 2.64Å; I568-R575 PolarHBondContact O-NH2 3.36Å; L570-R575 HydrophobicContact CB-CB 4.1Å; L570-R575 HydrophobicContact CD1-CB 4.44Å; L570-R575 PolarHBondContact O-NH2 3.17Å; L570-R575 VanDerWaalsContact O-NH2 3.12Å; N571-R575 WeakPolarHBondContact O-CB 3.5Å; N571-R575 PolarHBondContact O-N 2.99Å; L572-R575 PolarHBondContact O-N 3.22Å; R575-V577 PolarHBondContact O-N 3.45Å; R575-F578 PolarHBondContact O-N 3.3Å; R575-C579 PolarHBondContact O-N 3.44Å; R575-C579 PolarHBondContact O-SG 3.27Å
576	Y	95.1	Very high	94.1	Very high	22 Å²	22	54.3 Å²	54.3	9%	0.086	28%	0.275	C	S	.	.	H	α-helix	trans	-56.2	-49.6	176.6	-175.6	-77.8	0	0	0	111.2	H515 P516 A518 I521 F558 L572 R573 S574 F578 C579 T580	H515-Y576 PolarHBondContact CE1-OH 3.1Å; P516-Y576 PolarHBondContact O-OH 2.9Å; A518-Y576 HydrophobicContact CB-CD1 3.69Å; A518-Y576 HydrophobicContact CB-CD2 4.31Å; A518-Y576 HydrophobicContact CB-CE1 3.6Å; A518-Y576 HydrophobicContact CB-CE2 4.23Å; A518-Y576 HydrophobicContact CB-CG 4.07Å; I521-Y576 HydrophobicContact CB-CD2 4.27Å; I521-Y576 HydrophobicContact CB-CE2 4.19Å; I521-Y576 HydrophobicContact CG1-CE2 4.01Å; I521-Y576 HydrophobicContact CG2-CD2 4.24Å; F558-Y576 HydrophobicContact CE2-CD1 4.38Å; F558-Y576 AromaticContact CE2-CD2 3.83Å; F558-Y576 HydrophobicContact CE2-CD2 3.83Å; F558-Y576 HydrophobicContact CE2-CE1 4.39Å; F558-Y576 AromaticContact CE2-CE2 3.83Å; F558-Y576 HydrophobicContact CE2-CE2 3.83Å; F558-Y576 HydrophobicContact CE2-CG 4.1Å; F558-Y576 AromaticContact CZ-CD2 3.58Å; F558-Y576 HydrophobicContact CZ-CD2 3.58Å; F558-Y576 AromaticContact CZ-CE2 3.79Å; F558-Y576 HydrophobicContact CZ-CE2 3.79Å; F558-Y576 HydrophobicContact CZ-CG 4.16Å; L572-Y576 WeakPolarHBondContact O-CB 3.28Å; L572-Y576 PolarHBondContact O-N 3.01Å; R573-Y576 PolarHBondContact O-N 3.31Å; S574-Y576 PolarHBondContact O-N 3.47Å; Y576-F578 PolarHBondContact O-N 3.07Å; Y576-C579 CarbonylContact O-C 3.19Å; Y576-C579 PolarHBondContact O-N 2.98Å; Y576-T580 HydrophobicContact CD1-CG2 4Å; Y576-T580 HydrophobicContact CE1-CG2 3.57Å; Y576-T580 PolarHBondContact O-N 3.34Å
577	V	95.3	Very high	93.9	Very high	27 Å²	27	51 Å²	51	16%	0.164	26%	0.259	C	S	.	.	H	α-helix	trans	-59.7	-44.8	178.4	170.4	0	0	0	0	111.5	R573 S574 R575 C579 T580 A581 W644 R648 F649	R573-V577 WeakPolarHBondContact O-CG2 3.44Å; R573-V577 PolarHBondContact O-N 3.17Å; R573-V577 VanDerWaalsContact O-N 3.07Å; S574-V577 PolarHBondContact O-N 3.45Å; R575-V577 PolarHBondContact O-N 3.45Å; V577-C579 VanDerWaalsContact C-N 3.32Å; V577-C579 PolarHBondContact O-N 3.42Å; V577-T580 PolarHBondContact O-N 3.47Å; V577-T580 VanDerWaalsContact O-N 3.15Å; V577-T580 PolarHBondContact O-OG1 3.44Å; V577-A581 PolarHBondContact O-N 3.08Å; V577-W644 HydrophobicContact CG1-CH2 4.08Å; V577-W644 HydrophobicContact CG1-CZ3 3.93Å; V577-W644 WeakPolarHBondContact O-CH2 3.26Å; V577-W644 WeakPolarHBondContact O-CZ3 3.5Å; V577-R648 HydrophobicContact CG1-CB 3.93Å; V577-R648 HydrophobicContact CG1-CG 3.88Å; V577-F649 HydrophobicContact CB-CE2 4.32Å; V577-F649 HydrophobicContact CB-CZ 3.87Å; V577-F649 HydrophobicContact CG1-CE2 3.69Å; V577-F649 HydrophobicContact CG1-CZ 3.63Å
578	F	96.9	Very high	93.8	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-58.6	-41.8	173	-90.3	-87.9	0	0	0	111.9	I565 L570 S574 R575 Y576 T580 A581 F594 F597 A598 F601 L645 F649 F653	I565-F578 HydrophobicContact CD1-CB 3.84Å; L570-F578 HydrophobicContact CD1-CD2 4.42Å; S574-F578 WeakPolarHBondContact O-CD2 3.3Å; S574-F578 PolarHBondContact O-N 3.25Å; R575-F578 PolarHBondContact O-N 3.3Å; Y576-F578 PolarHBondContact O-N 3.07Å; F578-T580 VanDerWaalsContact C-N 3.26Å; F578-T580 PolarHBondContact O-N 3.47Å; F578-A581 VanDerWaalsContact O-CB 3.24Å; F578-A581 WeakPolarHBondContact O-CB 3.31Å; F578-A581 PolarHBondContact O-N 3.07Å; F578-A581 VanDerWaalsContact O-N 3.13Å; F578-F594 HydrophobicContact CB-CE2 4.14Å; F578-F594 HydrophobicContact CB-CZ 4.12Å; F578-F594 HydrophobicContact CD1-CD2 4.37Å; F578-F594 AromaticContact CD1-CE2 3.79Å; F578-F594 HydrophobicContact CD1-CE2 3.79Å; F578-F594 HydrophobicContact CD1-CZ 4.33Å; F578-F594 HydrophobicContact CG-CE2 4.48Å; F578-F594 WeakPolarHBondContact O-CE2 3.36Å; F578-F594 WeakPolarHBondContact O-CZ 3.36Å; F578-F597 HydrophobicContact CE1-CB 4.31Å; F578-A598 HydrophobicContact CD1-CB 4.1Å; F578-A598 HydrophobicContact CE1-CB 4.01Å; F578-F601 HydrophobicContact CE2-CB 4.15Å; F578-F601 AromaticContact CE2-CD1 3.94Å; F578-F601 HydrophobicContact CE2-CD1 3.94Å; F578-F601 HydrophobicContact CE2-CD2 4.01Å; F578-F601 HydrophobicContact CE2-CE1 4.36Å; F578-F601 HydrophobicContact CE2-CE2 4.43Å; F578-F601 AromaticContact CE2-CG 3.75Å; F578-F601 HydrophobicContact CE2-CG 3.75Å; F578-F601 HydrophobicContact CZ-CB 3.86Å; F578-F601 HydrophobicContact CZ-CD2 4.17Å; F578-F601 AromaticContact CZ-CG 3.92Å; F578-F601 HydrophobicContact CZ-CG 3.92Å; F578-L645 HydrophobicContact CD1-CD1 4.22Å; F578-L645 HydrophobicContact CD1-CD2 3.84Å; F578-L645 HydrophobicContact CD2-CD2 4.48Å; F578-L645 HydrophobicContact CE1-CD1 3.66Å; F578-L645 HydrophobicContact CE1-CD2 3.75Å; F578-L645 HydrophobicContact CE1-CG 4.38Å; F578-L645 HydrophobicContact CE2-CD2 4.4Å; F578-L645 HydrophobicContact CG-CD2 4.21Å; F578-L645 HydrophobicContact CZ-CD1 4.31Å; F578-L645 HydrophobicContact CZ-CD2 4.05Å; F578-F649 AromaticContact CD2-CE2 3.73Å; F578-F649 HydrophobicContact CD2-CE2 3.73Å; F578-F649 HydrophobicContact CD2-CZ 4.19Å; F578-F649 HydrophobicContact CE2-CD2 4.01Å; F578-F649 AromaticContact CE2-CE2 3.48Å; F578-F649 HydrophobicContact CE2-CE2 3.48Å; F578-F649 VanDerWaalsContact CE2-CE2 3.48Å; F578-F649 HydrophobicContact CE2-CZ 4.12Å; F578-F649 HydrophobicContact CZ-CD2 4.43Å; F578-F649 HydrophobicContact CZ-CE2 4.25Å; F578-F653 HydrophobicContact CZ-CE2 4.35Å; F578-F653 HydrophobicContact CZ-CZ 4.21Å
579	C	95.9	Very high	93.8	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.02	27%	0.272	C	S	.	.	H	α-helix	trans	-70.4	-17.1	177.9	-63.6	0	0	0	0	114.3	L533 F558 L561 A562 R575 Y576 V577	L533-C579 HydrophobicContact CD2-CB 4.44Å; F558-C579 WeakPolarHBondContact CA-O 3.47Å; F558-C579 HydrophobicContact CD1-CB 4.16Å; F558-C579 VanDerWaalsContact CD2-C 3.45Å; F558-C579 HydrophobicContact CD2-CB 3.48Å; F558-C579 VanDerWaalsContact CD2-CB 3.48Å; F558-C579 VanDerWaalsContact CD2-O 3.27Å; F558-C579 WeakPolarHBondContact CD2-O 3.13Å; F558-C579 HydrophobicContact CE1-CB 4.07Å; F558-C579 HydrophobicContact CE2-CB 3.4Å; F558-C579 VanDerWaalsContact CE2-CB 3.4Å; F558-C579 HydrophobicContact CG-CB 3.86Å; F558-C579 HydrophobicContact CZ-CB 3.71Å; L561-C579 HydrophobicContact CB-CB 4.32Å; A562-C579 WeakPolarHBondContact CA-SG 3.45Å; A562-C579 PolarHBondContact N-SG 2.84Å; A562-C579 VanDerWaalsContact N-SG 3.42Å; R575-C579 PolarHBondContact O-N 3.44Å; R575-C579 PolarHBondContact O-SG 3.27Å; Y576-C579 CarbonylContact O-C 3.19Å; Y576-C579 PolarHBondContact O-N 2.98Å; V577-C579 VanDerWaalsContact C-N 3.32Å; V577-C579 PolarHBondContact O-N 3.42Å
580	T	94.6	Very high	93.9	Very high	55 Å²	55	47.3 Å²	47.3	34%	0.337	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-1.3	169.9	58.3	0	0	0	0	114.4	F558 Y576 V577 F578 W644	F558-T580 HydrophobicContact CD2-CG2 3.87Å; F558-T580 HydrophobicContact CE2-CG2 3.85Å; Y576-T580 HydrophobicContact CD1-CG2 4Å; Y576-T580 HydrophobicContact CE1-CG2 3.57Å; Y576-T580 PolarHBondContact O-N 3.34Å; V577-T580 PolarHBondContact O-N 3.47Å; V577-T580 VanDerWaalsContact O-N 3.15Å; V577-T580 PolarHBondContact O-OG1 3.44Å; F578-T580 VanDerWaalsContact C-N 3.26Å; F578-T580 PolarHBondContact O-N 3.47Å; T580-W644 WeakPolarHBondContact OG1-CH2 3.35Å
581	A	95.1	Very high	94	Very high	4 Å²	4	47.1 Å²	47.1	3%	0.033	24%	0.241	C	C	.	.	S	Bend	trans	-69.8	126.9	-179.4	0	0	0	0	0	111.1	L561 V577 F578 I583 F594 L641 W644	L561-A581 WeakPolarHBondContact CD1-O 3.14Å; V577-A581 PolarHBondContact O-N 3.08Å; F578-A581 VanDerWaalsContact O-CB 3.24Å; F578-A581 WeakPolarHBondContact O-CB 3.31Å; F578-A581 PolarHBondContact O-N 3.07Å; F578-A581 VanDerWaalsContact O-N 3.13Å; A581-I583 PolarHBondContact O-N 3.14Å; A581-F594 HydrophobicContact CB-CE2 4.32Å; A581-L641 HydrophobicContact CB-CD1 3.72Å; A581-W644 HydrophobicContact CB-CD2 4.32Å; A581-W644 HydrophobicContact CB-CE3 3.8Å; A581-W644 HydrophobicContact CB-CH2 4.34Å; A581-W644 HydrophobicContact CB-CZ3 3.82Å
582	P	92	Very high	94.2	Very high	83 Å²	83	46 Å²	46	54%	0.539	24%	0.238	S	C	.	.			trans	-75.9	97.9	-175.4	30.1	-34.3	0	0	0	110.8	W644	P582-W644 VanDerWaalsContact CD-NE1 3.35Å; P582-W644 HydrophobicContact CG-CG 4.45Å
583	I	93.6	Very high	94.5	Very high	25 Å²	25	44 Å²	44	13%	0.128	23%	0.228	C	C	.	.			trans	-121	147.6	177.4	80.8	166.8	0	0	0	113.3	L561 A581 K585 V590 F594 L641	L561-I583 HydrophobicContact CD1-CG1 4.24Å; L561-I583 HydrophobicContact CD2-CD1 3.39Å; L561-I583 HydrophobicContact CD2-CG1 3.69Å; A581-I583 PolarHBondContact O-N 3.14Å; I583-K585 PolarHBondContact O-N 3.42Å; I583-K585 VanDerWaalsContact O-N 3.14Å; I583-V590 HydrophobicContact CB-CG1 3.84Å; I583-V590 HydrophobicContact CD1-CG1 4.37Å; I583-V590 HydrophobicContact CG2-CG1 4.22Å; I583-F594 HydrophobicContact CD1-CB 3.97Å; I583-F594 HydrophobicContact CD1-CD1 4.36Å; I583-F594 HydrophobicContact CD1-CD2 4.46Å; I583-F594 HydrophobicContact CD1-CG 4.03Å; I583-L641 HydrophobicContact CG2-CD1 3.75Å; I583-L641 HydrophobicContact CG2-CD2 4.01Å; I583-L641 HydrophobicContact CG2-CG 4.34Å
584	N	90.6	Very high	94.7	Very high	56 Å²	56	39.5 Å²	39.5	30%	0.299	21%	0.21	S	C	.	.			trans	-79.4	95.9	174.8	-174.7	-6.5	0	0	0	111.1	K586 Q587	N584-K586 PolarHBondContact O-N 3.38Å; N584-K586 WeakPolarHBondContact OD1-CB 3.23Å; N584-K586 PolarHBondContact OD1-N 3.26Å; N584-K586 VanDerWaalsContact OD1-N 3.16Å; N584-Q587 HydrophobicContact CB-CG 4.22Å; N584-Q587 PolarHBondContact O-N 2.86Å
585	K	90.6	Very high	94.9	Very high	89 Å²	89	40.7 Å²	40.7	39%	0.387	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-15.6	178.5	67.2	-176.7	177.9	-163.3	0	115.5	D557 F560 I583 Q587	D557-K585 VanDerWaalsContact OD1-CD 3.27Å; D557-K585 WeakPolarHBondContact OD1-CD 3.49Å; D557-K585 WeakPolarHBondContact OD1-CE 3.47Å; D557-K585 IonicContact OD1-NZ 3.25Å; D557-K585 PolarHBondContact OD1-NZ 3.18Å; F560-K585 HydrophobicContact CD1-CB 3.73Å; F560-K585 HydrophobicContact CD1-CD 4.26Å; F560-K585 HydrophobicContact CE1-CB 3.35Å; F560-K585 HydrophobicContact CG-CB 4.5Å; F560-K585 HydrophobicContact CG-CD 4.33Å; F560-K585 HydrophobicContact CZ-CB 3.84Å; I583-K585 PolarHBondContact O-N 3.42Å; I583-K585 VanDerWaalsContact O-N 3.14Å; K585-Q587 VanDerWaalsContact C-N 3.31Å
586	K	88.8	Confident	94.9	Very high	152 Å²	152	42.9 Å²	42.9	66%	0.661	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-8.4	175.8	-57.6	174.7	-179.1	171.2	0	113.2	N584 P588	N584-K586 PolarHBondContact O-N 3.38Å; N584-K586 WeakPolarHBondContact OD1-CB 3.23Å; N584-K586 PolarHBondContact OD1-N 3.26Å; N584-K586 VanDerWaalsContact OD1-N 3.16Å; K586-P588 WeakPolarHBondContact O-CD 3.43Å
587	Q	92.3	Very high	95.1	Very high	35 Å²	35	41.9 Å²	41.9	16%	0.164	22%	0.222	C	C	.	.			trans	-105.5	106.1	-179.3	-68	-71.6	14.7	0	0	111.6	N584 K585 F589 V590 C591	N584-Q587 HydrophobicContact CB-CG 4.22Å; N584-Q587 PolarHBondContact O-N 2.86Å; K585-Q587 VanDerWaalsContact C-N 3.31Å; Q587-F589 VanDerWaalsContact C-N 3.26Å; Q587-F589 PolarHBondContact O-N 3.15Å; Q587-V590 HydrophobicContact CB-CB 4.09Å; Q587-V590 HydrophobicContact CB-CG2 3.6Å; Q587-V590 HydrophobicContact CG-CG2 4.37Å; Q587-V590 PolarHBondContact O-N 3.19Å; Q587-V590 VanDerWaalsContact O-N 3.15Å; Q587-C591 PolarHBondContact O-N 3.15Å; Q587-C591 PolarHBondContact O-SG 2.98Å; Q587-C591 VanDerWaalsContact O-SG 3.39Å
588	P	94.8	Very high	95.2	Very high	96 Å²	96	40.6 Å²	40.6	62%	0.623	21%	0.214	S	C	*	.	H	α-helix	trans	-61.2	-32	-176.6	-25.4	35.2	0	0	0	114	K586 T592	K586-P588 WeakPolarHBondContact O-CD 3.43Å; P588-T592 WeakPolarHBondContact O-CB 3.42Å; P588-T592 PolarHBondContact O-N 3.02Å; P588-T592 PolarHBondContact O-OG1 3.29Å
589	F	96.5	Very high	95.2	Very high	49 Å²	49	45 Å²	45	22%	0.215	23%	0.231	C	C	.	.	H	α-helix	trans	-67.6	-38.5	178	-175	-105.9	0	0	0	112.3	Q587 T592 S593 H615 A634 V635 V638	Q587-F589 VanDerWaalsContact C-N 3.26Å; Q587-F589 PolarHBondContact O-N 3.15Å; F589-T592 PolarHBondContact O-N 3.31Å; F589-S593 WeakPolarHBondContact O-CB 3.33Å; F589-S593 PolarHBondContact O-N 3.21Å; F589-S593 PolarHBondContact O-OG 2.92Å; F589-H615 AromaticContact CZ-NE2 3.98Å; F589-A634 HydrophobicContact CB-CB 4.48Å; F589-A634 HydrophobicContact CD1-CB 4.43Å; F589-V635 HydrophobicContact CD1-CG2 4.35Å; F589-V635 HydrophobicContact CE1-CB 4.47Å; F589-V635 HydrophobicContact CE1-CG2 3.75Å; F589-V635 HydrophobicContact CZ-CG2 4.36Å; F589-V638 HydrophobicContact CD1-CG2 3.86Å; F589-V638 HydrophobicContact CE1-CB 4.36Å; F589-V638 HydrophobicContact CE1-CG2 3.85Å
590	V	97.1	Very high	95.3	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.006	23%	0.234	C	C	.	.	H	α-helix	trans	-66.7	-47.3	176.5	-173	0	0	0	0	109.9	I583 Q587 T592 S593 F594 A634 D637 V638	I583-V590 HydrophobicContact CB-CG1 3.84Å; I583-V590 HydrophobicContact CD1-CG1 4.37Å; I583-V590 HydrophobicContact CG2-CG1 4.22Å; Q587-V590 HydrophobicContact CB-CB 4.09Å; Q587-V590 HydrophobicContact CB-CG2 3.6Å; Q587-V590 HydrophobicContact CG-CG2 4.37Å; Q587-V590 PolarHBondContact O-N 3.19Å; Q587-V590 VanDerWaalsContact O-N 3.15Å; V590-T592 VanDerWaalsContact C-N 3.35Å; V590-T592 PolarHBondContact O-N 2.87Å; V590-S593 WeakPolarHBondContact O-CB 3.17Å; V590-S593 PolarHBondContact O-N 2.82Å; V590-S593 VanDerWaalsContact O-N 3.12Å; V590-F594 WeakPolarHBondContact O-CB 3.48Å; V590-F594 PolarHBondContact O-N 2.94Å; V590-A634 HydrophobicContact CG2-CB 4.25Å; V590-D637 HydrophobicContact CG2-CB 3.79Å; V590-V638 HydrophobicContact CB-CG2 4.31Å; V590-V638 HydrophobicContact CG1-CG2 4.36Å; V590-V638 HydrophobicContact CG2-CG2 4.14Å
591	C	96.9	Very high	95.4	Very high	15 Å²	15	44.8 Å²	44.8	10%	0.101	23%	0.225	C	C	.	.	H	α-helix	trans	-59	-43.2	175.8	-59.5	0	0	0	0	112.3	M564 Q587 S593 F594 L595	M564-C591 HydrophobicContact CE-CB 3.78Å; M564-C591 HydrophobicContact SD-CB 4.07Å; Q587-C591 PolarHBondContact O-N 3.15Å; Q587-C591 PolarHBondContact O-SG 2.98Å; Q587-C591 VanDerWaalsContact O-SG 3.39Å; C591-S593 VanDerWaalsContact C-N 3.31Å; C591-S593 PolarHBondContact O-N 3.25Å; C591-F594 PolarHBondContact O-N 2.95Å; C591-L595 WeakPolarHBondContact O-CB 3.18Å; C591-L595 PolarHBondContact O-N 2.97Å
592	T	96.9	Very high	95.5	Very high	72 Å²	72	46.2 Å²	46.2	44%	0.442	24%	0.235	S	C	.	.	H	α-helix	trans	-64.4	-36.7	176.5	-57.7	0	0	0	0	111.9	P588 F589 V590 K596	P588-T592 WeakPolarHBondContact O-CB 3.42Å; P588-T592 PolarHBondContact O-N 3.02Å; P588-T592 PolarHBondContact O-OG1 3.29Å; F589-T592 PolarHBondContact O-N 3.31Å; V590-T592 VanDerWaalsContact C-N 3.35Å; V590-T592 PolarHBondContact O-N 2.87Å; T592-K596 WeakPolarHBondContact O-CG 3.45Å; T592-K596 PolarHBondContact O-N 3.26Å; T592-K596 VanDerWaalsContact O-N 3.09Å
593	S	97.8	Very high	95.7	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-70.6	-45.7	177.8	-57.3	0	0	0	0	111.4	F589 V590 C591 L595 K596 F597 H615 V638	F589-S593 WeakPolarHBondContact O-CB 3.33Å; F589-S593 PolarHBondContact O-N 3.21Å; F589-S593 PolarHBondContact O-OG 2.92Å; V590-S593 WeakPolarHBondContact O-CB 3.17Å; V590-S593 PolarHBondContact O-N 2.82Å; V590-S593 VanDerWaalsContact O-N 3.12Å; C591-S593 VanDerWaalsContact C-N 3.31Å; C591-S593 PolarHBondContact O-N 3.25Å; S593-L595 VanDerWaalsContact C-N 3.35Å; S593-L595 PolarHBondContact O-N 2.97Å; S593-K596 CarbonylContact O-C 3.57Å; S593-K596 WeakPolarHBondContact O-CB 3.48Å; S593-K596 PolarHBondContact O-N 3.43Å; S593-K596 VanDerWaalsContact O-N 3.1Å; S593-F597 WeakPolarHBondContact O-CD1 3.37Å; S593-F597 VanDerWaalsContact O-CG 3.25Å; S593-F597 WeakPolarHBondContact O-CG 3.48Å; S593-F597 PolarHBondContact O-N 3.19Å; S593-H615 WeakPolarHBondContact CB-NE2 3.48Å; S593-H615 PolarHBondContact OG-CE1 3.27Å; S593-H615 PolarHBondContact OG-NE2 3.27Å; S593-V638 WeakPolarHBondContact OG-CG2 3.4Å
594	F	98.1	Very high	95.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-52.8	-49.4	172.6	175.8	-104.5	0	0	0	112.3	L561 M564 I565 F578 A581 I583 V590 C591 K596 F597 A598 L641	L561-F594 HydrophobicContact CB-CE1 3.9Å; L561-F594 HydrophobicContact CB-CZ 3.88Å; L561-F594 HydrophobicContact CD1-CE1 4.45Å; L561-F594 HydrophobicContact CD1-CE2 4.26Å; L561-F594 HydrophobicContact CD1-CZ 3.97Å; L561-F594 HydrophobicContact CD2-CD1 4.04Å; L561-F594 HydrophobicContact CD2-CE1 3.73Å; L561-F594 HydrophobicContact CD2-CZ 4.1Å; L561-F594 HydrophobicContact CG-CE1 4.21Å; L561-F594 HydrophobicContact CG-CZ 4.18Å; M564-F594 HydrophobicContact SD-CD1 3.82Å; M564-F594 HydrophobicContact SD-CE1 4.44Å; I565-F594 HydrophobicContact CD1-CE1 4.33Å; I565-F594 HydrophobicContact CD1-CZ 4.1Å; I565-F594 HydrophobicContact CG2-CD1 4.03Å; I565-F594 HydrophobicContact CG2-CE1 3.49Å; I565-F594 VanDerWaalsContact CG2-CE1 3.49Å; I565-F594 HydrophobicContact CG2-CZ 4.24Å; F578-F594 HydrophobicContact CB-CE2 4.14Å; F578-F594 HydrophobicContact CB-CZ 4.12Å; F578-F594 HydrophobicContact CD1-CD2 4.37Å; F578-F594 AromaticContact CD1-CE2 3.79Å; F578-F594 HydrophobicContact CD1-CE2 3.79Å; F578-F594 HydrophobicContact CD1-CZ 4.33Å; F578-F594 HydrophobicContact CG-CE2 4.48Å; F578-F594 WeakPolarHBondContact O-CE2 3.36Å; F578-F594 WeakPolarHBondContact O-CZ 3.36Å; A581-F594 HydrophobicContact CB-CE2 4.32Å; I583-F594 HydrophobicContact CD1-CB 3.97Å; I583-F594 HydrophobicContact CD1-CD1 4.36Å; I583-F594 HydrophobicContact CD1-CD2 4.46Å; I583-F594 HydrophobicContact CD1-CG 4.03Å; V590-F594 WeakPolarHBondContact O-CB 3.48Å; V590-F594 PolarHBondContact O-N 2.94Å; C591-F594 PolarHBondContact O-N 2.95Å; F594-K596 VanDerWaalsContact C-N 3.35Å; F594-K596 PolarHBondContact O-N 3.48Å; F594-F597 PolarHBondContact O-N 2.98Å; F594-F597 VanDerWaalsContact O-N 3.15Å; F594-A598 PolarHBondContact O-N 3.4Å; F594-L641 HydrophobicContact CB-CD2 3.89Å; F594-L641 HydrophobicContact CD2-CD1 4.31Å; F594-L641 HydrophobicContact CD2-CD2 4.15Å
595	L	97.3	Very high	96.1	Very high	39 Å²	39	55.6 Å²	55.6	20%	0.204	27%	0.268	C	S	.	.	H	α-helix	trans	-62.3	-39	176.7	-178.6	155.4	0	0	0	112.4	M564 I568 C591 S593 R599	M564-L595 HydrophobicContact CG-CD1 4.22Å; M564-L595 HydrophobicContact SD-CB 4.41Å; I568-L595 HydrophobicContact CD1-CG 4.42Å; C591-L595 WeakPolarHBondContact O-CB 3.18Å; C591-L595 PolarHBondContact O-N 2.97Å; S593-L595 VanDerWaalsContact C-N 3.35Å; S593-L595 PolarHBondContact O-N 2.97Å; L595-R599 VanDerWaalsContact O-CB 3.31Å; L595-R599 WeakPolarHBondContact O-CB 3.06Å; L595-R599 PolarHBondContact O-N 2.7Å
596	K	97.3	Very high	96.4	Very high	78 Å²	78	54.1 Å²	54.1	34%	0.339	27%	0.267	S	S	.	.	H	α-helix	trans	-65.5	-40.3	172.6	-76.3	177.8	179.3	-170.7	0	112.1	T592 S593 F594 R599 Q600 W611 H615	T592-K596 WeakPolarHBondContact O-CG 3.45Å; T592-K596 PolarHBondContact O-N 3.26Å; T592-K596 VanDerWaalsContact O-N 3.09Å; S593-K596 CarbonylContact O-C 3.57Å; S593-K596 WeakPolarHBondContact O-CB 3.48Å; S593-K596 PolarHBondContact O-N 3.43Å; S593-K596 VanDerWaalsContact O-N 3.1Å; F594-K596 VanDerWaalsContact C-N 3.35Å; F594-K596 PolarHBondContact O-N 3.48Å; K596-R599 PolarHBondContact O-N 3.42Å; K596-Q600 WeakPolarHBondContact O-CG 3.25Å; K596-Q600 PolarHBondContact O-N 3.29Å; K596-W611 HydrophobicContact CB-CH2 4.07Å; K596-W611 HydrophobicContact CB-CZ2 4.31Å; K596-W611 HydrophobicContact CD-CH2 4.48Å; K596-H615 VanDerWaalsContact CD-CE1 3.46Å; K596-H615 WeakPolarHBondContact CD-CE1 3.48Å; K596-H615 WeakPolarHBondContact CD-ND1 3.37Å; K596-H615 PolarHBondContact NZ-CE1 3.43Å; K596-H615 PolarHBondContact NZ-ND1 3.39Å
597	F	98.2	Very high	96.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.5	-49.3	179.8	-66.7	5.3	0	0	0	110.9	F578 S593 F594 R599 Q600 F601 L607 W611 V638 L641 L645 F653	F578-F597 HydrophobicContact CE1-CB 4.31Å; S593-F597 WeakPolarHBondContact O-CD1 3.37Å; S593-F597 VanDerWaalsContact O-CG 3.25Å; S593-F597 WeakPolarHBondContact O-CG 3.48Å; S593-F597 PolarHBondContact O-N 3.19Å; F594-F597 PolarHBondContact O-N 2.98Å; F594-F597 VanDerWaalsContact O-N 3.15Å; F597-R599 VanDerWaalsContact C-N 3.26Å; F597-R599 PolarHBondContact O-N 3.47Å; F597-Q600 PolarHBondContact O-N 3.07Å; F597-F601 WeakPolarHBondContact O-CB 3.45Å; F597-F601 PolarHBondContact O-N 3.08Å; F597-L607 HydrophobicContact CB-CD2 4.04Å; F597-L607 HydrophobicContact CD1-CD2 3.34Å; F597-L607 HydrophobicContact CE1-CD2 3.95Å; F597-L607 HydrophobicContact CG-CD2 3.74Å; F597-W611 AromaticContact CD1-CH2 3.89Å; F597-W611 HydrophobicContact CD1-CH2 3.89Å; F597-W611 AromaticContact CD1-CZ3 3.95Å; F597-W611 HydrophobicContact CD1-CZ3 3.95Å; F597-W611 AromaticContact CE1-CH2 3.94Å; F597-W611 HydrophobicContact CE1-CH2 3.94Å; F597-W611 AromaticContact CE1-CZ3 3.64Å; F597-W611 HydrophobicContact CE1-CZ3 3.64Å; F597-V638 HydrophobicContact CE1-CG1 4.4Å; F597-V638 HydrophobicContact CE2-CG1 4.41Å; F597-V638 HydrophobicContact CZ-CG1 3.66Å; F597-L641 HydrophobicContact CD2-CD2 3.87Å; F597-L641 HydrophobicContact CD2-CG 3.96Å; F597-L641 HydrophobicContact CE2-CB 4.37Å; F597-L641 HydrophobicContact CE2-CD2 3.88Å; F597-L641 HydrophobicContact CE2-CG 3.87Å; F597-L645 HydrophobicContact CB-CD1 4.34Å; F597-L645 HydrophobicContact CD2-CD1 3.79Å; F597-F653 HydrophobicContact CB-CE1 4.29Å; F597-F653 HydrophobicContact CB-CZ 4.18Å; F597-F653 AromaticContact CD2-CE1 3.99Å; F597-F653 HydrophobicContact CD2-CE1 3.99Å; F597-F653 HydrophobicContact CG-CE1 4.21Å
598	A	98	Very high	97.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58.4	-37.5	174	0	0	0	0	0	112.3	I565 I568 L570 F578 F594 S602	I565-A598 HydrophobicContact CB-CB 4.48Å; I565-A598 HydrophobicContact CG2-CB 3.9Å; I568-A598 HydrophobicContact CD1-CB 3.77Å; L570-A598 HydrophobicContact CD1-CB 4.37Å; F578-A598 HydrophobicContact CD1-CB 4.1Å; F578-A598 HydrophobicContact CE1-CB 4.01Å; F594-A598 PolarHBondContact O-N 3.4Å; A598-S602 WeakPolarHBondContact O-CB 3.49Å; A598-S602 PolarHBondContact O-N 3.38Å; A598-S602 PolarHBondContact O-OG 2.8Å
599	R	97.6	Very high	97.2	Very high	94 Å²	94	46 Å²	46	36%	0.355	23%	0.226	S	C	.	.	H	α-helix	trans	-67.8	-46.3	176.8	-177.5	180	-66.2	161.3	-2.7	112.9	I568 L595 K596 F597 F601 S602 R603	I568-R599 HydrophobicContact CD1-CB 4.28Å; L595-R599 VanDerWaalsContact O-CB 3.31Å; L595-R599 WeakPolarHBondContact O-CB 3.06Å; L595-R599 PolarHBondContact O-N 2.7Å; K596-R599 PolarHBondContact O-N 3.42Å; F597-R599 VanDerWaalsContact C-N 3.26Å; F597-R599 PolarHBondContact O-N 3.47Å; R599-F601 VanDerWaalsContact C-N 3.34Å; R599-S602 PolarHBondContact O-N 3Å; R599-S602 PolarHBondContact O-OG 3.28Å; R599-R603 WeakPolarHBondContact O-CG 3.34Å; R599-R603 PolarHBondContact O-N 2.91Å
600	Q	96.6	Very high	97.2	Very high	19 Å²	19	48.9 Å²	48.9	9%	0.089	24%	0.244	C	C	.	.	H	α-helix	trans	-63.2	-42.9	176.5	-68.9	-57.1	104.4	0	0	110.8	K596 F597 S602 R603 D604 E605 L607 W611	K596-Q600 WeakPolarHBondContact O-CG 3.25Å; K596-Q600 PolarHBondContact O-N 3.29Å; F597-Q600 PolarHBondContact O-N 3.07Å; Q600-S602 PolarHBondContact O-N 2.82Å; Q600-R603 PolarHBondContact O-N 3.32Å; Q600-R603 VanDerWaalsContact O-N 3.07Å; Q600-D604 PolarHBondContact O-N 3.39Å; Q600-E605 PolarHBondContact NE2-OE2 3.09Å; Q600-E605 PolarHBondContact O-N 2.9Å; Q600-L607 HydrophobicContact CB-CD1 3.7Å; Q600-L607 HydrophobicContact CB-CD2 4.37Å; Q600-L607 HydrophobicContact CB-CG 3.96Å; Q600-L607 HydrophobicContact CG-CG 4.37Å; Q600-W611 HydrophobicContact CG-CZ2 3.75Å
601	F	97.6	Very high	97.2	Very high	33 Å²	33	51 Å²	51	15%	0.145	25%	0.252	C	S	.	.	H	α-helix	trans	-56.4	-46.4	173.3	-174.5	-83.3	0	0	0	112.2	L570 F578 F597 R599 R603 D604 F649 M652 F653	L570-F601 HydrophobicContact CD2-CD1 3.57Å; L570-F601 HydrophobicContact CD2-CE1 4.12Å; F578-F601 HydrophobicContact CE2-CB 4.15Å; F578-F601 AromaticContact CE2-CD1 3.94Å; F578-F601 HydrophobicContact CE2-CD1 3.94Å; F578-F601 HydrophobicContact CE2-CD2 4.01Å; F578-F601 HydrophobicContact CE2-CE1 4.36Å; F578-F601 HydrophobicContact CE2-CE2 4.43Å; F578-F601 AromaticContact CE2-CG 3.75Å; F578-F601 HydrophobicContact CE2-CG 3.75Å; F578-F601 HydrophobicContact CZ-CB 3.86Å; F578-F601 HydrophobicContact CZ-CD2 4.17Å; F578-F601 AromaticContact CZ-CG 3.92Å; F578-F601 HydrophobicContact CZ-CG 3.92Å; F597-F601 WeakPolarHBondContact O-CB 3.45Å; F597-F601 PolarHBondContact O-N 3.08Å; R599-F601 VanDerWaalsContact C-N 3.34Å; F601-R603 PolarHBondContact O-N 3.4Å; F601-R603 VanDerWaalsContact O-N 3.08Å; F601-D604 PolarHBondContact O-N 3.12Å; F601-F649 HydrophobicContact CD2-CB 4.41Å; F601-F649 HydrophobicContact CD2-CD2 4.37Å; F601-F649 HydrophobicContact CD2-CG 4.23Å; F601-F649 HydrophobicContact CE2-CB 3.85Å; F601-F649 AromaticContact CE2-CD1 3.52Å; F601-F649 HydrophobicContact CE2-CD1 3.52Å; F601-F649 AromaticContact CE2-CD2 3.96Å; F601-F649 HydrophobicContact CE2-CD2 3.96Å; F601-F649 HydrophobicContact CE2-CE1 4Å; F601-F649 HydrophobicContact CE2-CE2 4.39Å; F601-F649 AromaticContact CE2-CG 3.5Å; F601-F649 HydrophobicContact CE2-CG 3.5Å; F601-F649 VanDerWaalsContact CE2-CG 3.5Å; F601-F649 HydrophobicContact CE2-CZ 4.41Å; F601-F649 AromaticContact CZ-CD1 3.77Å; F601-F649 HydrophobicContact CZ-CD1 3.77Å; F601-F649 AromaticContact CZ-CE1 3.83Å; F601-F649 HydrophobicContact CZ-CE1 3.83Å; F601-F649 HydrophobicContact CZ-CG 4.19Å; F601-F649 HydrophobicContact CZ-CZ 4.28Å; F601-M652 HydrophobicContact CD2-CB 3.76Å; F601-M652 HydrophobicContact CD2-CG 3.67Å; F601-M652 HydrophobicContact CE2-CB 4.09Å; F601-M652 HydrophobicContact CE2-CG 3.7Å; F601-F653 HydrophobicContact CD2-CE2 4.17Å
602	S	97.2	Very high	97.2	Very high	34 Å²	34	50.2 Å²	50.2	24%	0.238	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-10.7	178.2	71.2	0	0	0	0	115.5	I568 P569 A598 R599 Q600	I568-S602 VanDerWaalsContact CG2-CB 3.47Å; I568-S602 WeakPolarHBondContact CG2-OG 3.31Å; P569-S602 WeakPolarHBondContact O-CB 3.43Å; A598-S602 WeakPolarHBondContact O-CB 3.49Å; A598-S602 PolarHBondContact O-N 3.38Å; A598-S602 PolarHBondContact O-OG 2.8Å; R599-S602 PolarHBondContact O-N 3Å; R599-S602 PolarHBondContact O-OG 3.28Å; Q600-S602 PolarHBondContact O-N 2.82Å
603	R	96.5	Very high	97.2	Very high	142 Å²	142	47.6 Å²	47.6	54%	0.536	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-0.1	180	-69	173.7	175.4	-169.4	-7.1	113.5	R599 Q600 F601 E605	R599-R603 WeakPolarHBondContact O-CG 3.34Å; R599-R603 PolarHBondContact O-N 2.91Å; Q600-R603 PolarHBondContact O-N 3.32Å; Q600-R603 VanDerWaalsContact O-N 3.07Å; F601-R603 PolarHBondContact O-N 3.4Å; F601-R603 VanDerWaalsContact O-N 3.08Å; R603-E605 HydrophobicContact CB-CB 4.38Å; R603-E605 HydrophobicContact CB-CG 3.96Å; R603-E605 WeakPolarHBondContact CD-OE1 3.38Å; R603-E605 IonicContact NH1-OE1 2.61Å; R603-E605 PolarHBondContact O-N 3.34Å
604	D	96.1	Very high	97.1	Very high	136 Å²	136	56.8 Å²	56.8	73%	0.727	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	32.1	-170.9	-147	33.9	0	0	0	112.1	Q600 F601 P606	Q600-D604 PolarHBondContact O-N 3.39Å; F601-D604 PolarHBondContact O-N 3.12Å; D604-P606 WeakPolarHBondContact O-CD 3.4Å
605	E	96.6	Very high	97	Very high	83 Å²	83	58 Å²	58	39%	0.388	27%	0.271	S	S	.	.			trans	-101.3	106.2	174.7	-71.3	179.6	-140.2	0	0	110.8	Q600 R603	Q600-E605 PolarHBondContact NE2-OE2 3.09Å; Q600-E605 PolarHBondContact O-N 2.9Å; R603-E605 HydrophobicContact CB-CB 4.38Å; R603-E605 HydrophobicContact CB-CG 3.96Å; R603-E605 WeakPolarHBondContact CD-OE1 3.38Å; R603-E605 IonicContact NH1-OE1 2.61Å; R603-E605 PolarHBondContact O-N 3.34Å
606	P	96.7	Very high	96.9	Very high	59 Å²	59	56.4 Å²	56.4	38%	0.383	26%	0.263	S	S	.	.			trans	-62.2	137.4	-179.1	-25.8	35.5	0	0	0	113.5	D604 T608 M652	D604-P606 WeakPolarHBondContact O-CD 3.4Å; P606-T608 VanDerWaalsContact C-N 3.3Å; P606-T608 PolarHBondContact O-N 3.45Å; P606-M652 HydrophobicContact CG-SD 4.34Å
607	L	97.6	Very high	96.8	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.271	C	S	.	.			trans	-81.6	77.7	176.4	-67	91.6	0	0	0	110	F597 Q600 W611 Y642 M652 F653	F597-L607 HydrophobicContact CB-CD2 4.04Å; F597-L607 HydrophobicContact CD1-CD2 3.34Å; F597-L607 HydrophobicContact CE1-CD2 3.95Å; F597-L607 HydrophobicContact CG-CD2 3.74Å; Q600-L607 HydrophobicContact CB-CD1 3.7Å; Q600-L607 HydrophobicContact CB-CD2 4.37Å; Q600-L607 HydrophobicContact CB-CG 3.96Å; Q600-L607 HydrophobicContact CG-CG 4.37Å; L607-W611 HydrophobicContact CB-CE3 4.38Å; L607-W611 HydrophobicContact CD2-CE3 3.94Å; L607-W611 HydrophobicContact CD2-CH2 3.93Å; L607-W611 HydrophobicContact CD2-CZ2 4.48Å; L607-W611 HydrophobicContact CD2-CZ3 3.62Å; L607-W611 HydrophobicContact CG-CE3 4.34Å; L607-W611 HydrophobicContact CG-CZ3 4.48Å; L607-Y642 HydrophobicContact CB-CE2 3.8Å; L607-Y642 WeakPolarHBondContact O-CE2 3.38Å; L607-Y642 PolarHBondContact O-OH 3.33Å; L607-M652 WeakPolarHBondContact CD1-O 3.49Å; L607-M652 PolarHBondContact N-O 3.32Å; L607-F653 HydrophobicContact CB-CD1 4.33Å; L607-F653 HydrophobicContact CB-CE1 4.44Å; L607-F653 HydrophobicContact CD1-CD1 4.41Å; L607-F653 HydrophobicContact CD1-CE1 3.94Å; L607-F653 HydrophobicContact CD1-CE2 4.16Å; L607-F653 HydrophobicContact CD1-CZ 3.78Å; L607-F653 HydrophobicContact CD2-CE1 3.98Å; L607-F653 HydrophobicContact CD2-CZ 4.44Å; L607-F653 HydrophobicContact CG-CE1 4.34Å
608	T	97.7	Very high	96.6	Very high	55 Å²	55	58 Å²	58	34%	0.337	28%	0.282	S	S	.	.			trans	-65.8	158.8	176.4	58.1	0	0	0	0	112.7	P606 N610 W611 V612 D655	P606-T608 VanDerWaalsContact C-N 3.3Å; P606-T608 PolarHBondContact O-N 3.45Å; T608-N610 PolarHBondContact O-N 3.21Å; T608-W611 WeakPolarHBondContact O-CA 3.44Å; T608-W611 VanDerWaalsContact O-CB 3.28Å; T608-W611 WeakPolarHBondContact O-CB 3.43Å; T608-W611 PolarHBondContact O-N 3Å; T608-V612 PolarHBondContact O-N 3.1Å; T608-D655 WeakPolarHBondContact CA-OD2 3.38Å; T608-D655 WeakPolarHBondContact CB-OD2 3.4Å
609	F	97.5	Very high	96.5	Very high	56 Å²	56	63.1 Å²	63.1	25%	0.246	32%	0.316	C	S	.	.	H	α-helix	trans	-49.7	-43.6	173.7	179.4	-106.5	0	0	0	112.1	W611 V612 C613 D655 A658 V659 I662	F609-W611 VanDerWaalsContact C-N 3.27Å; F609-W611 PolarHBondContact O-N 3.16Å; F609-V612 PolarHBondContact O-N 3.15Å; F609-V612 VanDerWaalsContact O-N 3.16Å; F609-C613 VanDerWaalsContact CZ-SG 3.51Å; F609-C613 WeakPolarHBondContact O-CB 3.47Å; F609-C613 PolarHBondContact O-N 2.82Å; F609-C613 PolarHBondContact O-SG 3.25Å; F609-C613 VanDerWaalsContact O-SG 3.38Å; F609-D655 HydrophobicContact CB-CB 3.8Å; F609-D655 PolarHBondContact N-OD2 3.21Å; F609-A658 HydrophobicContact CB-CB 4.34Å; F609-A658 HydrophobicContact CD2-CB 3.48Å; F609-A658 VanDerWaalsContact CD2-CB 3.48Å; F609-A658 HydrophobicContact CE2-CB 3.8Å; F609-A658 WeakPolarHBondContact CE2-O 3.41Å; F609-A658 HydrophobicContact CG-CB 3.89Å; F609-A658 HydrophobicContact CZ-CB 4.46Å; F609-V659 HydrophobicContact CD2-CG2 4.15Å; F609-I662 HydrophobicContact CD2-CD1 4.48Å; F609-I662 HydrophobicContact CE2-CD1 3.84Å; F609-I662 HydrophobicContact CE2-CG1 4.08Å; F609-I662 HydrophobicContact CE2-CG2 3.72Å; F609-I662 HydrophobicContact CZ-CG2 3.78Å
610	N	96.8	Very high	96.3	Very high	111 Å²	111	60.2 Å²	60.2	59%	0.594	31%	0.307	S	S	*	.	H	α-helix	trans	-65.2	-27	176.2	-72.6	-33.9	0	0	0	113.6	T608 R614	T608-N610 PolarHBondContact O-N 3.21Å; N610-R614 WeakPolarHBondContact O-CG 3.3Å; N610-R614 PolarHBondContact O-NE 2.97Å
611	W	97.1	Very high	96.1	Very high	44 Å²	44	62.6 Å²	62.6	17%	0.167	33%	0.33	C	S	.	.	H	α-helix	trans	-74.9	-46	170.6	-175.2	107.2	0	0	0	110.4	K596 F597 Q600 L607 T608 F609 R614 H615	K596-W611 HydrophobicContact CB-CH2 4.07Å; K596-W611 HydrophobicContact CB-CZ2 4.31Å; K596-W611 HydrophobicContact CD-CH2 4.48Å; F597-W611 AromaticContact CD1-CH2 3.89Å; F597-W611 HydrophobicContact CD1-CH2 3.89Å; F597-W611 AromaticContact CD1-CZ3 3.95Å; F597-W611 HydrophobicContact CD1-CZ3 3.95Å; F597-W611 AromaticContact CE1-CH2 3.94Å; F597-W611 HydrophobicContact CE1-CH2 3.94Å; F597-W611 AromaticContact CE1-CZ3 3.64Å; F597-W611 HydrophobicContact CE1-CZ3 3.64Å; Q600-W611 HydrophobicContact CG-CZ2 3.75Å; L607-W611 HydrophobicContact CB-CE3 4.38Å; L607-W611 HydrophobicContact CD2-CE3 3.94Å; L607-W611 HydrophobicContact CD2-CH2 3.93Å; L607-W611 HydrophobicContact CD2-CZ2 4.48Å; L607-W611 HydrophobicContact CD2-CZ3 3.62Å; L607-W611 HydrophobicContact CG-CE3 4.34Å; L607-W611 HydrophobicContact CG-CZ3 4.48Å; T608-W611 WeakPolarHBondContact O-CA 3.44Å; T608-W611 VanDerWaalsContact O-CB 3.28Å; T608-W611 WeakPolarHBondContact O-CB 3.43Å; T608-W611 PolarHBondContact O-N 3Å; F609-W611 VanDerWaalsContact C-N 3.27Å; F609-W611 PolarHBondContact O-N 3.16Å; W611-R614 PolarHBondContact O-N 3.05Å; W611-H615 HydrophobicContact CE3-CB 4.16Å; W611-H615 HydrophobicContact CH2-CB 4.04Å; W611-H615 AromaticContact CH2-CG 3.9Å; W611-H615 HydrophobicContact CZ3-CB 3.8Å; W611-H615 AromaticContact CZ3-CG 3.94Å; W611-H615 WeakPolarHBondContact O-CB 3.48Å; W611-H615 PolarHBondContact O-N 3.4Å
612	V	96.5	Very high	95.8	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-60.7	-50.9	180	177.2	0	0	0	0	111.1	T608 F609 R614 H615 I616 L639 Y642 V659	T608-V612 PolarHBondContact O-N 3.1Å; F609-V612 PolarHBondContact O-N 3.15Å; F609-V612 VanDerWaalsContact O-N 3.16Å; V612-R614 VanDerWaalsContact C-N 3.3Å; V612-R614 PolarHBondContact O-N 3.42Å; V612-H615 PolarHBondContact O-N 2.86Å; V612-I616 HydrophobicContact CG1-CD1 4.47Å; V612-I616 HydrophobicContact CG1-CG2 4.39Å; V612-I616 WeakPolarHBondContact O-CG1 3.29Å; V612-I616 PolarHBondContact O-N 3.45Å; V612-L639 HydrophobicContact CG1-CD2 3.79Å; V612-Y642 HydrophobicContact CG2-CD2 3.56Å; V612-Y642 HydrophobicContact CG2-CE2 3.4Å; V612-Y642 VanDerWaalsContact CG2-CE2 3.4Å; V612-V659 HydrophobicContact CG1-CG2 4.46Å; V612-V659 HydrophobicContact CG2-CG2 4.43Å
613	C	96.8	Very high	95.6	Very high	16 Å²	16	62.9 Å²	62.9	11%	0.108	34%	0.339	C	S	.	.	H	α-helix	trans	-56.1	-41.3	177.8	-73.4	0	0	0	0	112.6	F609 G617 W618	F609-C613 VanDerWaalsContact CZ-SG 3.51Å; F609-C613 WeakPolarHBondContact O-CB 3.47Å; F609-C613 PolarHBondContact O-N 2.82Å; F609-C613 PolarHBondContact O-SG 3.25Å; F609-C613 VanDerWaalsContact O-SG 3.38Å; C613-G617 PolarHBondContact O-N 3.44Å; C613-W618 HydrophobicContact CB-CB 3.93Å; C613-W618 PolarHBondContact O-N 3.1Å
614	R	96.4	Very high	95.4	Very high	193 Å²	193	65.5 Å²	65.5	73%	0.728	35%	0.349	S	S	*	.	H	α-helix	trans	-70.5	-34.7	175.3	-73.8	-177.2	-64.9	163.9	1.8	113.2	N610 W611 V612	N610-R614 WeakPolarHBondContact O-CG 3.3Å; N610-R614 PolarHBondContact O-NE 2.97Å; W611-R614 PolarHBondContact O-N 3.05Å; V612-R614 VanDerWaalsContact C-N 3.3Å; V612-R614 PolarHBondContact O-N 3.42Å
615	H	95.6	Very high	95.2	Very high	25 Å²	25	60.8 Å²	60.8	12%	0.116	32%	0.323	C	S	.	.	H	α-helix	trans	-72.5	-36.9	178.8	168.3	65.7	0	0	0	112.7	F589 S593 K596 W611 V612	F589-H615 AromaticContact CZ-NE2 3.98Å; S593-H615 WeakPolarHBondContact CB-NE2 3.48Å; S593-H615 PolarHBondContact OG-CE1 3.27Å; S593-H615 PolarHBondContact OG-NE2 3.27Å; K596-H615 VanDerWaalsContact CD-CE1 3.46Å; K596-H615 WeakPolarHBondContact CD-CE1 3.48Å; K596-H615 WeakPolarHBondContact CD-ND1 3.37Å; K596-H615 PolarHBondContact NZ-CE1 3.43Å; K596-H615 PolarHBondContact NZ-ND1 3.39Å; W611-H615 HydrophobicContact CE3-CB 4.16Å; W611-H615 HydrophobicContact CH2-CB 4.04Å; W611-H615 AromaticContact CH2-CG 3.9Å; W611-H615 HydrophobicContact CZ3-CB 3.8Å; W611-H615 AromaticContact CZ3-CG 3.94Å; W611-H615 WeakPolarHBondContact O-CB 3.48Å; W611-H615 PolarHBondContact O-N 3.4Å; V612-H615 PolarHBondContact O-N 2.86Å
616	I	95.3	Very high	94.9	Very high	7 Å²	7	57.8 Å²	57.8	4%	0.036	31%	0.31	C	S	.	.	H	α-helix	trans	-86.3	-11.6	176.8	74.2	-175.1	0	0	0	113.9	V612 W618 V635 V638 L639 I662	V612-I616 HydrophobicContact CG1-CD1 4.47Å; V612-I616 HydrophobicContact CG1-CG2 4.39Å; V612-I616 WeakPolarHBondContact O-CG1 3.29Å; V612-I616 PolarHBondContact O-N 3.45Å; I616-W618 HydrophobicContact CD1-CB 4.17Å; I616-W618 HydrophobicContact CD1-CE3 4.22Å; I616-W618 HydrophobicContact CG1-CB 4Å; I616-V635 HydrophobicContact CB-CG1 3.85Å; I616-V635 HydrophobicContact CD1-CG1 4.16Å; I616-V635 HydrophobicContact CG1-CG1 4.47Å; I616-V635 HydrophobicContact CG2-CG1 3.97Å; I616-V638 HydrophobicContact CG2-CG1 4.43Å; I616-L639 HydrophobicContact CD1-CD2 4.07Å; I616-I662 HydrophobicContact CD1-CD1 3.94Å
617	G	94.9	Very high	94.6	Very high	48 Å²	48	63 Å²	63	50%	0.495	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	37.5	-177.6	0	0	0	0	0	114.1	C613	C613-G617 PolarHBondContact O-N 3.44Å
618	W	94.6	Very high	94.4	Very high	62 Å²	62	65.5 Å²	65.5	24%	0.235	34%	0.34	C	S	.	.	S	Bend	trans	-69.9	141.4	178.3	-167.7	-99.6	0	0	0	112	C613 I616 L620 I662 E665 L666 I669	C613-W618 HydrophobicContact CB-CB 3.93Å; C613-W618 PolarHBondContact O-N 3.1Å; I616-W618 HydrophobicContact CD1-CB 4.17Å; I616-W618 HydrophobicContact CD1-CE3 4.22Å; I616-W618 HydrophobicContact CG1-CB 4Å; W618-L620 HydrophobicContact CE3-CB 4.32Å; W618-L620 HydrophobicContact CE3-CD1 4.01Å; W618-L620 HydrophobicContact CE3-CG 4.01Å; W618-L620 HydrophobicContact CZ3-CB 4.31Å; W618-L620 HydrophobicContact CZ3-CD1 4.16Å; W618-L620 HydrophobicContact CZ3-CG 4.36Å; W618-I662 HydrophobicContact CD2-CB 4.49Å; W618-I662 HydrophobicContact CD2-CG2 4.41Å; W618-I662 HydrophobicContact CH2-CB 4.18Å; W618-I662 HydrophobicContact CZ2-CB 4.07Å; W618-I662 HydrophobicContact CZ2-CG2 3.91Å; W618-I662 HydrophobicContact CZ3-CB 4.43Å; W618-E665 HydrophobicContact CH2-CB 3.9Å; W618-E665 HydrophobicContact CZ2-CB 4.25Å; W618-E665 WeakPolarHBondContact CZ2-OE2 3.41Å; W618-L666 HydrophobicContact CZ3-CB 4.4Å; W618-I669 HydrophobicContact CH2-CD1 4.47Å
619	P	94.1	Very high	94.2	Very high	109 Å²	109	62.9 Å²	62.9	71%	0.708	32%	0.324	S	S	*	.	S	Bend	cis	-78.9	143.8	1.1	32.5	-35.7	0	0	0	113.8
620	L	94	Very high	94	Very high	33 Å²	33	62.1 Å²	62.1	17%	0.173	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-89.6	143.4	-179.8	-68.5	167.8	0	0	0	111.8	W618 L632 V635 L666	W618-L620 HydrophobicContact CE3-CB 4.32Å; W618-L620 HydrophobicContact CE3-CD1 4.01Å; W618-L620 HydrophobicContact CE3-CG 4.01Å; W618-L620 HydrophobicContact CZ3-CB 4.31Å; W618-L620 HydrophobicContact CZ3-CD1 4.16Å; W618-L620 HydrophobicContact CZ3-CG 4.36Å; L620-L632 HydrophobicContact CB-CD2 4.06Å; L620-L632 HydrophobicContact CD1-CD2 3.93Å; L620-L632 HydrophobicContact CD2-CD2 4.43Å; L620-L632 HydrophobicContact CG-CD2 4.37Å; L620-V635 HydrophobicContact CD1-CB 4.38Å; L620-V635 HydrophobicContact CD1-CG1 3.94Å; L620-V635 HydrophobicContact CD1-CG2 4.37Å; L620-L666 HydrophobicContact CD1-CD1 3.92Å
621	A	91.9	Very high	93.9	Very high	69 Å²	69	60.6 Å²	60.6	57%	0.57	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-89.3	157.6	176.7	0	0	0	0	0	111.9
622	A	92.1	Very high	93.9	Very high	57 Å²	57	58.9 Å²	58.9	47%	0.471	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-57.8	140.6	170.4	0	0	0	0	0	111.3
623	P	93.8	Very high	93.9	Very high	15 Å²	15	58.9 Å²	58.9	10%	0.097	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-66.3	142.1	-176.3	27.8	-33.4	0	0	0	110.7	D628 L629 L632 L680	P623-D628 HydrophobicContact CB-CB 3.66Å; P623-L629 HydrophobicContact CB-CB 4.24Å; P623-L629 HydrophobicContact CG-CD1 4.27Å; P623-L632 HydrophobicContact CB-CD1 3.97Å; P623-L632 HydrophobicContact CG-CD1 3.94Å; P623-L680 HydrophobicContact CB-CD1 4.17Å; P623-L680 HydrophobicContact CB-CD2 4.38Å; P623-L680 HydrophobicContact CG-CD1 3.94Å; P623-L680 HydrophobicContact CG-CD2 4.46Å; P623-L680 WeakPolarHBondContact O-CD2 3.15Å
624	R	91.7	Very high	93.9	Very high	197 Å²	197	58.2 Å²	58.2	74%	0.743	30%	0.302	S	S	*	.	S	Bend	trans	-103	-24.4	177.3	-55.7	177.7	-178.8	176.6	0.2	112.1	D628 A683	R624-D628 WeakPolarHBondContact CA-OD2 3.45Å; R624-D628 WeakPolarHBondContact CB-OD2 3.37Å; R624-D628 PolarHBondContact N-OD2 2.72Å; R624-A683 VanDerWaalsContact O-CB 3.28Å; R624-A683 WeakPolarHBondContact O-CB 3.29Å
625	N	91.4	Very high	93.9	Very high	37 Å²	37	49 Å²	49	20%	0.198	27%	0.268	C	S	.	.	S	Bend	trans	-144.7	175.6	179.6	70.6	77.6	0	0	0	110.8	K627 D628 L629 A683	N625-K627 PolarHBondContact O-N 3.43Å; N625-K627 WeakPolarHBondContact OD1-CA 3.49Å; N625-K627 WeakPolarHBondContact OD1-CB 3.46Å; N625-K627 PolarHBondContact OD1-N 2.82Å; N625-D628 PolarHBondContact N-OD2 3.47Å; N625-D628 PolarHBondContact ND2-OD1 3.4Å; N625-D628 PolarHBondContact ND2-OD2 2.91Å; N625-D628 WeakPolarHBondContact O-CB 3.37Å; N625-D628 PolarHBondContact O-N 3.12Å; N625-D628 PolarHBondContact OD1-N 2.95Å; N625-L629 PolarHBondContact O-N 2.74Å; N625-A683 HydrophobicContact CB-CB 4.48Å
626	I	90.1	Very high	94	Very high	21 Å²	21	48.1 Å²	48.1	11%	0.108	26%	0.263	C	S	.	.	H	α-helix	trans	-69.2	-29.3	-176.5	-68.4	-67.7	0	0	0	112.9	Y383 D628 L629 V630 I677 L680 I681 S684	Y383-I626 HydrophobicContact CD2-CG2 4.47Å; Y383-I626 HydrophobicContact CE1-CD1 4.39Å; Y383-I626 HydrophobicContact CE2-CG2 3.87Å; I626-D628 VanDerWaalsContact C-N 3.32Å; I626-L629 HydrophobicContact CD1-CD2 4.3Å; I626-L629 PolarHBondContact O-N 3.2Å; I626-V630 HydrophobicContact CG2-CG2 4.33Å; I626-V630 WeakPolarHBondContact O-CG2 3.32Å; I626-V630 PolarHBondContact O-N 3.41Å; I626-I677 HydrophobicContact CD1-CD1 4.39Å; I626-I677 HydrophobicContact CD1-CG1 3.74Å; I626-L680 HydrophobicContact CD1-CB 3.81Å; I626-L680 HydrophobicContact CG1-CB 4.08Å; I626-I681 HydrophobicContact CD1-CG1 3.87Å; I626-I681 HydrophobicContact CG1-CG1 3.9Å; I626-S684 PolarHBondContact N-OG 3.19Å
627	K	91.3	Very high	94.1	Very high	169 Å²	169	49.5 Å²	49.5	74%	0.735	27%	0.271	S	S	*	.	H	α-helix	trans	-66.4	-37.9	175	-54.3	178.8	-179.6	175.3	0	110.9	N625 V630 H631	N625-K627 PolarHBondContact O-N 3.43Å; N625-K627 WeakPolarHBondContact OD1-CA 3.49Å; N625-K627 WeakPolarHBondContact OD1-CB 3.46Å; N625-K627 PolarHBondContact OD1-N 2.82Å; K627-V630 PolarHBondContact O-N 3.36Å; K627-H631 WeakPolarHBondContact O-CB 3.45Å; K627-H631 PolarHBondContact O-N 3.24Å
628	D	93.6	Very high	94.2	Very high	52 Å²	52	47.2 Å²	47.2	28%	0.278	25%	0.248	S	C	.	.	H	α-helix	trans	-62	-46.4	173.9	-52.9	-13.1	0	0	0	110.2	P623 R624 N625 I626 V630 H631 L632	P623-D628 HydrophobicContact CB-CB 3.66Å; R624-D628 WeakPolarHBondContact CA-OD2 3.45Å; R624-D628 WeakPolarHBondContact CB-OD2 3.37Å; R624-D628 PolarHBondContact N-OD2 2.72Å; N625-D628 PolarHBondContact N-OD2 3.47Å; N625-D628 PolarHBondContact ND2-OD1 3.4Å; N625-D628 PolarHBondContact ND2-OD2 2.91Å; N625-D628 WeakPolarHBondContact O-CB 3.37Å; N625-D628 PolarHBondContact O-N 3.12Å; N625-D628 PolarHBondContact OD1-N 2.95Å; I626-D628 VanDerWaalsContact C-N 3.32Å; D628-V630 PolarHBondContact O-N 3.4Å; D628-H631 WeakPolarHBondContact O-CB 3.49Å; D628-H631 PolarHBondContact O-N 2.87Å; D628-H631 VanDerWaalsContact O-N 3.11Å; D628-L632 WeakPolarHBondContact O-CG 3.46Å; D628-L632 PolarHBondContact O-N 3.12Å
629	L	93.3	Very high	94.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.9	-44.9	177.7	-177	66	0	0	0	112	P623 N625 I626 H631 L632 E633 I670 V674 I677 L680	P623-L629 HydrophobicContact CB-CB 4.24Å; P623-L629 HydrophobicContact CG-CD1 4.27Å; N625-L629 PolarHBondContact O-N 2.74Å; I626-L629 HydrophobicContact CD1-CD2 4.3Å; I626-L629 PolarHBondContact O-N 3.2Å; L629-H631 VanDerWaalsContact C-N 3.28Å; L629-H631 PolarHBondContact O-N 2.91Å; L629-L632 PolarHBondContact O-N 3.22Å; L629-E633 PolarHBondContact O-N 2.92Å; L629-I670 HydrophobicContact CD1-CG2 4.12Å; L629-V674 HydrophobicContact CD1-CG2 4.19Å; L629-V674 HydrophobicContact CD2-CG2 4.23Å; L629-I677 HydrophobicContact CD2-CD1 4.19Å; L629-I677 HydrophobicContact CD2-CG1 4.32Å; L629-L680 HydrophobicContact CB-CD1 4.18Å; L629-L680 HydrophobicContact CD2-CD1 4.11Å
630	V	92.9	Very high	94.5	Very high	39 Å²	39	40.2 Å²	40.2	24%	0.236	21%	0.209	C	C	.	.	H	α-helix	trans	-65.1	-31.9	175.7	173.1	0	0	0	0	111.9	I626 K627 D628 A634	I626-V630 HydrophobicContact CG2-CG2 4.33Å; I626-V630 WeakPolarHBondContact O-CG2 3.32Å; I626-V630 PolarHBondContact O-N 3.41Å; K627-V630 PolarHBondContact O-N 3.36Å; D628-V630 PolarHBondContact O-N 3.4Å; V630-A634 WeakPolarHBondContact O-CB 3.45Å; V630-A634 PolarHBondContact O-N 3.31Å
631	H	95.1	Very high	94.7	Very high	80 Å²	80	38.9 Å²	38.9	37%	0.37	20%	0.202	S	C	.	.	H	α-helix	trans	-69.7	-41.1	172.6	-178.6	40.9	0	0	0	111.9	K627 D628 L629 A634 V635	K627-H631 WeakPolarHBondContact O-CB 3.45Å; K627-H631 PolarHBondContact O-N 3.24Å; D628-H631 WeakPolarHBondContact O-CB 3.49Å; D628-H631 PolarHBondContact O-N 2.87Å; D628-H631 VanDerWaalsContact O-N 3.11Å; L629-H631 VanDerWaalsContact C-N 3.28Å; L629-H631 PolarHBondContact O-N 2.91Å; H631-A634 CarbonylContact O-C 3.1Å; H631-A634 WeakPolarHBondContact O-CA 3.42Å; H631-A634 WeakPolarHBondContact O-CB 3.47Å; H631-A634 PolarHBondContact O-N 2.87Å; H631-A634 VanDerWaalsContact O-N 3.11Å; H631-V635 WeakPolarHBondContact O-CG2 3.29Å; H631-V635 PolarHBondContact O-N 3.39Å
632	L	96.6	Very high	95	Very high	7 Å²	7	35.6 Å²	35.6	4%	0.037	18%	0.175	C	C	.	.	H	α-helix	trans	-63.2	-41.5	174.6	-63.9	175.1	0	0	0	111.7	L620 P623 D628 L629 A634 V635 H636 L666 I669 I670	L620-L632 HydrophobicContact CB-CD2 4.06Å; L620-L632 HydrophobicContact CD1-CD2 3.93Å; L620-L632 HydrophobicContact CD2-CD2 4.43Å; L620-L632 HydrophobicContact CG-CD2 4.37Å; P623-L632 HydrophobicContact CB-CD1 3.97Å; P623-L632 HydrophobicContact CG-CD1 3.94Å; D628-L632 WeakPolarHBondContact O-CG 3.46Å; D628-L632 PolarHBondContact O-N 3.12Å; L629-L632 PolarHBondContact O-N 3.22Å; L632-A634 VanDerWaalsContact C-N 3.32Å; L632-A634 PolarHBondContact O-N 3.02Å; L632-V635 PolarHBondContact O-N 3.06Å; L632-H636 PolarHBondContact O-N 2.92Å; L632-L666 HydrophobicContact CB-CD1 4.17Å; L632-L666 HydrophobicContact CD2-CD1 3.81Å; L632-L666 HydrophobicContact CG-CD1 4.46Å; L632-I669 HydrophobicContact CD1-CG2 3.97Å; L632-I670 HydrophobicContact CB-CD1 4.07Å; L632-I670 HydrophobicContact CB-CG1 3.73Å; L632-I670 HydrophobicContact CD1-CG1 4.47Å
633	E	95.9	Very high	95.3	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-54.5	-47.7	168.5	-73.2	176.5	-143.8	0	0	110.8	K379 Y400 S402 L629 V635 H636 D637	K379-E633 IonicContact NZ-OE1 2.77Å; K379-E633 IonicContact NZ-OE2 3.56Å; K379-E633 PolarHBondContact NZ-OE2 3.34Å; Y400-E633 VanDerWaalsContact CE2-OE1 3.25Å; Y400-E633 WeakPolarHBondContact CE2-OE1 3.29Å; Y400-E633 PolarHBondContact OH-OE1 3.28Å; S402-E633 WeakPolarHBondContact CB-OE2 3.47Å; S402-E633 PolarHBondContact OG-OE2 3.5Å; L629-E633 PolarHBondContact O-N 2.92Å; E633-V635 VanDerWaalsContact C-N 3.33Å; E633-V635 PolarHBondContact O-N 3.3Å; E633-H636 WeakPolarHBondContact O-CB 3.15Å; E633-H636 PolarHBondContact O-N 3.01Å; E633-H636 VanDerWaalsContact O-N 3.16Å; E633-D637 PolarHBondContact O-N 2.93Å
634	A	96.6	Very high	95.5	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.008	15%	0.152	C	C	.	.	H	α-helix	trans	-67.5	-27.6	178.7	0	0	0	0	0	113.9	F589 V590 V630 H631 L632 V638	F589-A634 HydrophobicContact CB-CB 4.48Å; F589-A634 HydrophobicContact CD1-CB 4.43Å; V590-A634 HydrophobicContact CG2-CB 4.25Å; V630-A634 WeakPolarHBondContact O-CB 3.45Å; V630-A634 PolarHBondContact O-N 3.31Å; H631-A634 CarbonylContact O-C 3.1Å; H631-A634 WeakPolarHBondContact O-CA 3.42Å; H631-A634 WeakPolarHBondContact O-CB 3.47Å; H631-A634 PolarHBondContact O-N 2.87Å; H631-A634 VanDerWaalsContact O-N 3.11Å; L632-A634 VanDerWaalsContact C-N 3.32Å; L632-A634 PolarHBondContact O-N 3.02Å; A634-V638 VanDerWaalsContact O-CG2 3.32Å; A634-V638 WeakPolarHBondContact O-CG2 3.45Å; A634-V638 PolarHBondContact O-N 3.14Å
635	V	97.6	Very high	95.8	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-71.7	-41.6	170.1	176.9	0	0	0	0	110.3	F589 I616 L620 H631 L632 E633 D637 V638 L639 L666	F589-V635 HydrophobicContact CD1-CG2 4.35Å; F589-V635 HydrophobicContact CE1-CB 4.47Å; F589-V635 HydrophobicContact CE1-CG2 3.75Å; F589-V635 HydrophobicContact CZ-CG2 4.36Å; I616-V635 HydrophobicContact CB-CG1 3.85Å; I616-V635 HydrophobicContact CD1-CG1 4.16Å; I616-V635 HydrophobicContact CG1-CG1 4.47Å; I616-V635 HydrophobicContact CG2-CG1 3.97Å; L620-V635 HydrophobicContact CD1-CB 4.38Å; L620-V635 HydrophobicContact CD1-CG1 3.94Å; L620-V635 HydrophobicContact CD1-CG2 4.37Å; H631-V635 WeakPolarHBondContact O-CG2 3.29Å; H631-V635 PolarHBondContact O-N 3.39Å; L632-V635 PolarHBondContact O-N 3.06Å; E633-V635 VanDerWaalsContact C-N 3.33Å; E633-V635 PolarHBondContact O-N 3.3Å; V635-D637 VanDerWaalsContact C-N 3.32Å; V635-D637 PolarHBondContact O-N 3.13Å; V635-V638 WeakPolarHBondContact O-CA 3.3Å; V635-V638 WeakPolarHBondContact O-CB 3.34Å; V635-V638 PolarHBondContact O-N 3.45Å; V635-L639 WeakPolarHBondContact O-CG 3.36Å; V635-L639 PolarHBondContact O-N 2.85Å; V635-L666 HydrophobicContact CB-CD2 4.01Å; V635-L666 HydrophobicContact CG1-CD2 3.72Å
636	H	97.4	Very high	96	Very high	6 Å²	6	22.3 Å²	22.3	3%	0.028	11%	0.108	C	C	.	.	H	α-helix	trans	-57.6	-45.7	175.5	-178.6	-67.7	0	0	0	111.3	L632 E633 V638 L639 D640 Q663 L666 I670	L632-H636 PolarHBondContact O-N 2.92Å; E633-H636 WeakPolarHBondContact O-CB 3.15Å; E633-H636 PolarHBondContact O-N 3.01Å; E633-H636 VanDerWaalsContact O-N 3.16Å; H636-V638 VanDerWaalsContact C-N 3.26Å; H636-V638 PolarHBondContact O-N 3.42Å; H636-L639 PolarHBondContact O-N 3.35Å; H636-L639 VanDerWaalsContact O-N 3.1Å; H636-D640 IonicContact CE1-OD1 3.69Å; H636-D640 PolarHBondContact O-N 2.95Å; H636-Q663 VanDerWaalsContact CD2-CG 3.41Å; H636-Q663 WeakPolarHBondContact CD2-CG 3.39Å; H636-Q663 PolarHBondContact CE1-NE2 3.45Å; H636-Q663 PolarHBondContact CE1-OE1 2.81Å; H636-Q663 WeakPolarHBondContact NE2-CG 3.42Å; H636-Q663 PolarHBondContact NE2-OE1 3.16Å; H636-Q663 PolarHBondContact O-NE2 3.42Å; H636-L666 HydrophobicContact CB-CD2 3.99Å; H636-I670 HydrophobicContact CB-CD1 4.07Å
637	D	97.1	Very high	96.3	Very high	37 Å²	37	24.1 Å²	24.1	20%	0.198	11%	0.114	C	C	.	.	H	α-helix	trans	-57.2	-35.7	173.5	-72.3	-7.6	0	0	0	112.4	V590 E633 V635 D640 L641	V590-D637 HydrophobicContact CG2-CB 3.79Å; E633-D637 PolarHBondContact O-N 2.93Å; V635-D637 VanDerWaalsContact C-N 3.32Å; V635-D637 PolarHBondContact O-N 3.13Å; D637-D640 PolarHBondContact O-N 3.31Å; D637-L641 WeakPolarHBondContact O-CB 3.28Å; D637-L641 PolarHBondContact O-N 2.95Å
638	V	97.9	Very high	96.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-71.6	-33.1	176.4	169.1	0	0	0	0	112.4	F589 V590 S593 F597 I616 A634 V635 H636 Y642	F589-V638 HydrophobicContact CD1-CG2 3.86Å; F589-V638 HydrophobicContact CE1-CB 4.36Å; F589-V638 HydrophobicContact CE1-CG2 3.85Å; V590-V638 HydrophobicContact CB-CG2 4.31Å; V590-V638 HydrophobicContact CG1-CG2 4.36Å; V590-V638 HydrophobicContact CG2-CG2 4.14Å; S593-V638 WeakPolarHBondContact OG-CG2 3.4Å; F597-V638 HydrophobicContact CE1-CG1 4.4Å; F597-V638 HydrophobicContact CE2-CG1 4.41Å; F597-V638 HydrophobicContact CZ-CG1 3.66Å; I616-V638 HydrophobicContact CG2-CG1 4.43Å; A634-V638 VanDerWaalsContact O-CG2 3.32Å; A634-V638 WeakPolarHBondContact O-CG2 3.45Å; A634-V638 PolarHBondContact O-N 3.14Å; V635-V638 WeakPolarHBondContact O-CA 3.3Å; V635-V638 WeakPolarHBondContact O-CB 3.34Å; V635-V638 PolarHBondContact O-N 3.45Å; H636-V638 VanDerWaalsContact C-N 3.26Å; H636-V638 PolarHBondContact O-N 3.42Å; V638-Y642 PolarHBondContact O-N 3.44Å
639	L	97.8	Very high	96.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-72.9	-36.7	173.2	-58.2	178.7	0	0	0	111.4	V612 I616 V635 H636 Y642 L643 V659 I662 Q663 L666	V612-L639 HydrophobicContact CG1-CD2 3.79Å; I616-L639 HydrophobicContact CD1-CD2 4.07Å; V635-L639 WeakPolarHBondContact O-CG 3.36Å; V635-L639 PolarHBondContact O-N 2.85Å; H636-L639 PolarHBondContact O-N 3.35Å; H636-L639 VanDerWaalsContact O-N 3.1Å; L639-Y642 PolarHBondContact O-N 3.26Å; L639-L643 PolarHBondContact O-N 3.42Å; L639-L643 VanDerWaalsContact O-N 3.12Å; L639-V659 HydrophobicContact CB-CG1 4.4Å; L639-V659 HydrophobicContact CD2-CG1 4.1Å; L639-I662 HydrophobicContact CD1-CD1 4.43Å; L639-I662 HydrophobicContact CD1-CG1 4.28Å; L639-I662 HydrophobicContact CD2-CD1 4.12Å; L639-Q663 HydrophobicContact CB-CB 4.15Å; L639-Q663 HydrophobicContact CB-CG 4.1Å; L639-Q663 HydrophobicContact CD1-CB 3.74Å; L639-Q663 HydrophobicContact CD1-CG 4.01Å; L639-L666 HydrophobicContact CD1-CD2 3.95Å
640	D	97.1	Very high	96.7	Very high	24 Å²	24	24.9 Å²	24.9	13%	0.128	12%	0.117	C	C	.	.	H	α-helix	trans	-61	-44.9	170.5	-103.3	17.9	0	0	0	110.8	K238 E261 H636 D637 Y642 L643 W644 Q663	K238-D640 IonicContact NZ-OD2 3.63Å; K238-D640 PolarHBondContact NZ-OD2 2.94Å; E261-D640 HydrophobicContact CG-CB 4.37Å; H636-D640 IonicContact CE1-OD1 3.69Å; H636-D640 PolarHBondContact O-N 2.95Å; D637-D640 PolarHBondContact O-N 3.31Å; D640-Y642 VanDerWaalsContact C-N 3.35Å; D640-Y642 PolarHBondContact O-N 2.82Å; D640-L643 PolarHBondContact O-N 3.36Å; D640-W644 WeakPolarHBondContact O-CB 3.41Å; D640-W644 PolarHBondContact O-N 3.25Å; D640-Q663 PolarHBondContact OD1-NE2 3.36Å
641	L	97.8	Very high	96.8	Very high	5 Å²	5	29.8 Å²	29.8	3%	0.026	14%	0.142	C	C	.	.	H	α-helix	trans	-60.2	-40.4	174.9	174.4	62.2	0	0	0	112.9	A581 I583 F594 F597 D637 W644 L645	A581-L641 HydrophobicContact CB-CD1 3.72Å; I583-L641 HydrophobicContact CG2-CD1 3.75Å; I583-L641 HydrophobicContact CG2-CD2 4.01Å; I583-L641 HydrophobicContact CG2-CG 4.34Å; F594-L641 HydrophobicContact CB-CD2 3.89Å; F594-L641 HydrophobicContact CD2-CD1 4.31Å; F594-L641 HydrophobicContact CD2-CD2 4.15Å; F597-L641 HydrophobicContact CD2-CD2 3.87Å; F597-L641 HydrophobicContact CD2-CG 3.96Å; F597-L641 HydrophobicContact CE2-CB 4.37Å; F597-L641 HydrophobicContact CE2-CD2 3.88Å; F597-L641 HydrophobicContact CE2-CG 3.87Å; D637-L641 WeakPolarHBondContact O-CB 3.28Å; D637-L641 PolarHBondContact O-N 2.95Å; L641-W644 PolarHBondContact O-N 3.38Å; L641-L645 HydrophobicContact CD1-CD1 3.86Å; L641-L645 HydrophobicContact CD1-CG 4.21Å; L641-L645 HydrophobicContact CG-CD1 4.09Å; L641-L645 WeakPolarHBondContact O-CG 3.37Å; L641-L645 PolarHBondContact O-N 3.12Å
642	Y	98.3	Very high	96.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.9	-49.5	176.1	-179.2	-77.9	0	0	0	111	L607 V612 V638 L639 D640 W644 L645 S646 F653 D655 V659	L607-Y642 HydrophobicContact CB-CE2 3.8Å; L607-Y642 WeakPolarHBondContact O-CE2 3.38Å; L607-Y642 PolarHBondContact O-OH 3.33Å; V612-Y642 HydrophobicContact CG2-CD2 3.56Å; V612-Y642 HydrophobicContact CG2-CE2 3.4Å; V612-Y642 VanDerWaalsContact CG2-CE2 3.4Å; V638-Y642 PolarHBondContact O-N 3.44Å; L639-Y642 PolarHBondContact O-N 3.26Å; D640-Y642 VanDerWaalsContact C-N 3.35Å; D640-Y642 PolarHBondContact O-N 2.82Å; Y642-W644 VanDerWaalsContact C-N 3.34Å; Y642-L645 PolarHBondContact O-N 3.01Å; Y642-S646 PolarHBondContact O-N 2.84Å; Y642-F653 HydrophobicContact CD1-CD1 4.47Å; Y642-F653 AromaticContact CD2-CD1 3.61Å; Y642-F653 HydrophobicContact CD2-CD1 3.61Å; Y642-F653 HydrophobicContact CD2-CE1 4.2Å; Y642-F653 HydrophobicContact CE1-CB 4.11Å; Y642-F653 HydrophobicContact CE1-CD1 4.48Å; Y642-F653 HydrophobicContact CE2-CB 4.29Å; Y642-F653 AromaticContact CE2-CD1 3.62Å; Y642-F653 HydrophobicContact CE2-CD1 3.62Å; Y642-F653 HydrophobicContact CE2-CE1 4.47Å; Y642-F653 HydrophobicContact CE2-CG 4.39Å; Y642-F653 HydrophobicContact CG-CD1 4.05Å; Y642-F653 VanDerWaalsContact OH-C 3.27Å; Y642-F653 WeakPolarHBondContact OH-CA 3.29Å; Y642-D655 PolarHBondContact OH-N 2.94Å; Y642-V659 HydrophobicContact CD1-CB 3.98Å; Y642-V659 HydrophobicContact CD1-CG1 3.66Å; Y642-V659 HydrophobicContact CD1-CG2 3.9Å; Y642-V659 HydrophobicContact CE1-CB 4.05Å; Y642-V659 HydrophobicContact CE1-CG1 4.26Å; Y642-V659 HydrophobicContact CE1-CG2 3.68Å; Y642-V659 HydrophobicContact CE2-CG2 4.46Å; Y642-V659 HydrophobicContact CG-CG1 4.08Å; Y642-V659 HydrophobicContact CG-CG2 4.4Å
643	L	97.7	Very high	97	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.021	13%	0.126	C	C	.	.	H	α-helix	trans	-68.8	-33.2	179.2	-66.9	-177.8	0	0	0	112.5	E261 L639 D640 L645 S646 Y647 T656 V659 R660	E261-L643 HydrophobicContact CB-CB 4.23Å; E261-L643 WeakPolarHBondContact O-CB 3.49Å; L639-L643 PolarHBondContact O-N 3.42Å; L639-L643 VanDerWaalsContact O-N 3.12Å; D640-L643 PolarHBondContact O-N 3.36Å; L643-L645 VanDerWaalsContact C-N 3.32Å; L643-L645 PolarHBondContact O-N 3.08Å; L643-S646 PolarHBondContact O-N 3.21Å; L643-S646 PolarHBondContact O-OG 3.07Å; L643-Y647 WeakPolarHBondContact O-CD2 3.31Å; L643-T656 HydrophobicContact CD2-CG2 4.02Å; L643-V659 HydrophobicContact CD2-CB 4.36Å; L643-V659 HydrophobicContact CD2-CG1 4.17Å; L643-V659 HydrophobicContact CG-CG1 4.25Å; L643-R660 HydrophobicContact CD1-CB 4.39Å
644	W	97.9	Very high	97	Very high	20 Å²	20	29.1 Å²	29.1	8%	0.076	14%	0.144	C	C	.	.	H	α-helix	trans	-58.6	-47.6	172.1	-166.2	97.6	0	0	0	110.7	E261 V577 T580 A581 P582 D640 L641 Y642 R648	E261-W644 HydrophobicContact CG-CB 3.99Å; E261-W644 HydrophobicContact CG-CG 4.49Å; V577-W644 HydrophobicContact CG1-CH2 4.08Å; V577-W644 HydrophobicContact CG1-CZ3 3.93Å; V577-W644 WeakPolarHBondContact O-CH2 3.26Å; V577-W644 WeakPolarHBondContact O-CZ3 3.5Å; T580-W644 WeakPolarHBondContact OG1-CH2 3.35Å; A581-W644 HydrophobicContact CB-CD2 4.32Å; A581-W644 HydrophobicContact CB-CE3 3.8Å; A581-W644 HydrophobicContact CB-CH2 4.34Å; A581-W644 HydrophobicContact CB-CZ3 3.82Å; P582-W644 VanDerWaalsContact CD-NE1 3.35Å; P582-W644 HydrophobicContact CG-CG 4.45Å; D640-W644 WeakPolarHBondContact O-CB 3.41Å; D640-W644 PolarHBondContact O-N 3.25Å; L641-W644 PolarHBondContact O-N 3.38Å; Y642-W644 VanDerWaalsContact C-N 3.34Å; W644-R648 VanDerWaalsContact CE2-CZ 3.48Å; W644-R648 WeakPolarHBondContact O-CD 3.41Å; W644-R648 PolarHBondContact O-NH1 2.87Å
645	L	97.7	Very high	97	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-69.5	-33	-179.7	-71	164.6	0	0	0	112.8	F578 F597 L641 Y642 L643 Y647 R648 F649 F653	F578-L645 HydrophobicContact CD1-CD1 4.22Å; F578-L645 HydrophobicContact CD1-CD2 3.84Å; F578-L645 HydrophobicContact CD2-CD2 4.48Å; F578-L645 HydrophobicContact CE1-CD1 3.66Å; F578-L645 HydrophobicContact CE1-CD2 3.75Å; F578-L645 HydrophobicContact CE1-CG 4.38Å; F578-L645 HydrophobicContact CE2-CD2 4.4Å; F578-L645 HydrophobicContact CG-CD2 4.21Å; F578-L645 HydrophobicContact CZ-CD1 4.31Å; F578-L645 HydrophobicContact CZ-CD2 4.05Å; F597-L645 HydrophobicContact CB-CD1 4.34Å; F597-L645 HydrophobicContact CD2-CD1 3.79Å; L641-L645 HydrophobicContact CD1-CD1 3.86Å; L641-L645 HydrophobicContact CD1-CG 4.21Å; L641-L645 HydrophobicContact CG-CD1 4.09Å; L641-L645 WeakPolarHBondContact O-CG 3.37Å; L641-L645 PolarHBondContact O-N 3.12Å; Y642-L645 PolarHBondContact O-N 3.01Å; L643-L645 VanDerWaalsContact C-N 3.32Å; L643-L645 PolarHBondContact O-N 3.08Å; L645-Y647 VanDerWaalsContact C-N 3.34Å; L645-Y647 PolarHBondContact O-N 2.72Å; L645-R648 CarbonylContact O-C 3.6Å; L645-R648 PolarHBondContact O-N 3.3Å; L645-F649 HydrophobicContact CB-CD2 4.49Å; L645-F649 HydrophobicContact CD2-CD2 4.03Å; L645-F649 HydrophobicContact CD2-CE2 3.96Å; L645-F649 PolarHBondContact O-N 3.44Å; L645-F653 HydrophobicContact CB-CD1 4.03Å; L645-F653 HydrophobicContact CB-CD2 4.13Å; L645-F653 HydrophobicContact CB-CE1 3.81Å; L645-F653 HydrophobicContact CB-CE2 3.91Å; L645-F653 HydrophobicContact CB-CG 4.21Å; L645-F653 HydrophobicContact CB-CZ 3.76Å; L645-F653 HydrophobicContact CD1-CE1 3.77Å; L645-F653 HydrophobicContact CD1-CE2 4.46Å; L645-F653 HydrophobicContact CD1-CZ 3.63Å; L645-F653 HydrophobicContact CG-CE1 4.45Å; L645-F653 HydrophobicContact CG-CZ 4.26Å
646	S	97.2	Very high	96.9	Very high	2 Å²	2	34 Å²	34	1%	0.014	17%	0.172	C	C	.	.	H	α-helix	trans	-62.1	-36.4	-178.8	71.2	0	0	0	0	114.3	Y642 L643 R648 F649 M650 F653 T656	Y642-S646 PolarHBondContact O-N 2.84Å; L643-S646 PolarHBondContact O-N 3.21Å; L643-S646 PolarHBondContact O-OG 3.07Å; S646-R648 PolarHBondContact O-N 3.1Å; S646-R648 VanDerWaalsContact O-N 3.13Å; S646-F649 CarbonylContact O-C 3.58Å; S646-F649 PolarHBondContact O-N 2.78Å; S646-M650 WeakPolarHBondContact O-CA 3.47Å; S646-M650 WeakPolarHBondContact O-CG 3.39Å; S646-M650 PolarHBondContact O-N 3.28Å; S646-F653 VanDerWaalsContact CB-O 3.3Å; S646-F653 WeakPolarHBondContact CB-O 3.46Å; S646-T656 WeakPolarHBondContact OG-CG2 3.23Å
647	Y	95.4	Very high	96.7	Very high	60 Å²	60	37.7 Å²	37.7	24%	0.235	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-3	174.7	-69.8	-65.6	0	0	0	114.5	R263 L643 L645	R263-Y647 HydrophobicContact CB-CD1 4.41Å; R263-Y647 HydrophobicContact CB-CE1 3.69Å; R263-Y647 HydrophobicContact CG-CD1 3.88Å; R263-Y647 HydrophobicContact CG-CE1 3.62Å; R263-Y647 HydrophobicContact CG-CE2 4.42Å; R263-Y647 HydrophobicContact CG-CG 4.38Å; R263-Y647 PolarHBondContact N-OH 3.22Å; L643-Y647 WeakPolarHBondContact O-CD2 3.31Å; L645-Y647 VanDerWaalsContact C-N 3.34Å; L645-Y647 PolarHBondContact O-N 2.72Å
648	R	95.6	Very high	96.7	Very high	68 Å²	68	37.9 Å²	37.9	26%	0.257	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116	-26.4	173.4	-66.6	87.6	179	155.2	1.7	112.8	G260 M282 V577 W644 L645 S646	G260-R648 PolarHBondContact O-NH1 3.36Å; M282-R648 PolarHBondContact SD-NH2 3.32Å; M282-R648 VanDerWaalsContact SD-NH2 3.35Å; V577-R648 HydrophobicContact CG1-CB 3.93Å; V577-R648 HydrophobicContact CG1-CG 3.88Å; W644-R648 VanDerWaalsContact CE2-CZ 3.48Å; W644-R648 WeakPolarHBondContact O-CD 3.41Å; W644-R648 PolarHBondContact O-NH1 2.87Å; L645-R648 CarbonylContact O-C 3.6Å; L645-R648 PolarHBondContact O-N 3.3Å; S646-R648 PolarHBondContact O-N 3.1Å; S646-R648 VanDerWaalsContact O-N 3.13Å
649	F	96.5	Very high	96.7	Very high	29 Å²	29	37.9 Å²	37.9	13%	0.127	21%	0.21	C	C	.	.			trans	-137	61.1	-172.8	-57.1	-54.1	0	0	0	111.3	V577 F578 F601 L645 S646 D651 M652 F653	V577-F649 HydrophobicContact CB-CE2 4.32Å; V577-F649 HydrophobicContact CB-CZ 3.87Å; V577-F649 HydrophobicContact CG1-CE2 3.69Å; V577-F649 HydrophobicContact CG1-CZ 3.63Å; F578-F649 AromaticContact CD2-CE2 3.73Å; F578-F649 HydrophobicContact CD2-CE2 3.73Å; F578-F649 HydrophobicContact CD2-CZ 4.19Å; F578-F649 HydrophobicContact CE2-CD2 4.01Å; F578-F649 AromaticContact CE2-CE2 3.48Å; F578-F649 HydrophobicContact CE2-CE2 3.48Å; F578-F649 VanDerWaalsContact CE2-CE2 3.48Å; F578-F649 HydrophobicContact CE2-CZ 4.12Å; F578-F649 HydrophobicContact CZ-CD2 4.43Å; F578-F649 HydrophobicContact CZ-CE2 4.25Å; F601-F649 HydrophobicContact CD2-CB 4.41Å; F601-F649 HydrophobicContact CD2-CD2 4.37Å; F601-F649 HydrophobicContact CD2-CG 4.23Å; F601-F649 HydrophobicContact CE2-CB 3.85Å; F601-F649 AromaticContact CE2-CD1 3.52Å; F601-F649 HydrophobicContact CE2-CD1 3.52Å; F601-F649 AromaticContact CE2-CD2 3.96Å; F601-F649 HydrophobicContact CE2-CD2 3.96Å; F601-F649 HydrophobicContact CE2-CE1 4Å; F601-F649 HydrophobicContact CE2-CE2 4.39Å; F601-F649 AromaticContact CE2-CG 3.5Å; F601-F649 HydrophobicContact CE2-CG 3.5Å; F601-F649 VanDerWaalsContact CE2-CG 3.5Å; F601-F649 HydrophobicContact CE2-CZ 4.41Å; F601-F649 AromaticContact CZ-CD1 3.77Å; F601-F649 HydrophobicContact CZ-CD1 3.77Å; F601-F649 AromaticContact CZ-CE1 3.83Å; F601-F649 HydrophobicContact CZ-CE1 3.83Å; F601-F649 HydrophobicContact CZ-CG 4.19Å; F601-F649 HydrophobicContact CZ-CZ 4.28Å; L645-F649 HydrophobicContact CB-CD2 4.49Å; L645-F649 HydrophobicContact CD2-CD2 4.03Å; L645-F649 HydrophobicContact CD2-CE2 3.96Å; L645-F649 PolarHBondContact O-N 3.44Å; S646-F649 CarbonylContact O-C 3.58Å; S646-F649 PolarHBondContact O-N 2.78Å; F649-D651 PolarHBondContact O-N 3.06Å; F649-M652 HydrophobicContact CB-CB 4.31Å; F649-M652 PolarHBondContact O-N 3.28Å; F649-M652 VanDerWaalsContact O-N 3.07Å; F649-F653 HydrophobicContact CB-CD2 3.85Å; F649-F653 HydrophobicContact CB-CE2 4.16Å; F649-F653 HydrophobicContact CD2-CE2 4.32Å; F649-F653 PolarHBondContact O-N 3.47Å; F649-F653 VanDerWaalsContact O-N 3.08Å
650	M	95	Very high	96.6	Very high	139 Å²	139	39.9 Å²	39.9	69%	0.685	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-55.3	-44.5	-169.6	-66.2	174.4	64.3	0	0	113.4	S646 M652 F653 P654	S646-M650 WeakPolarHBondContact O-CA 3.47Å; S646-M650 WeakPolarHBondContact O-CG 3.39Å; S646-M650 PolarHBondContact O-N 3.28Å; M650-M652 VanDerWaalsContact C-N 3.26Å; M650-M652 PolarHBondContact O-N 3.39Å; M650-F653 CarbonylContact O-C 3.53Å; M650-F653 VanDerWaalsContact O-C 3.31Å; M650-F653 PolarHBondContact O-N 2.83Å; M650-P654 VanDerWaalsContact O-CA 3.3Å; M650-P654 WeakPolarHBondContact O-CA 3.47Å
651	D	95.1	Very high	96.5	Very high	142 Å²	142	40 Å²	40	76%	0.759	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-65.5	-29.3	-179	-52.9	-56.2	0	0	0	113.1	F649	F649-D651 PolarHBondContact O-N 3.06Å
652	M	97.2	Very high	96.5	Very high	15 Å²	15	40 Å²	40	7%	0.074	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-90.9	-16.7	-177.7	-62.4	-52.8	-68.2	0	0	113.4	F601 P606 L607 F649 M650 P654	F601-M652 HydrophobicContact CD2-CB 3.76Å; F601-M652 HydrophobicContact CD2-CG 3.67Å; F601-M652 HydrophobicContact CE2-CB 4.09Å; F601-M652 HydrophobicContact CE2-CG 3.7Å; P606-M652 HydrophobicContact CG-SD 4.34Å; L607-M652 WeakPolarHBondContact CD1-O 3.49Å; L607-M652 PolarHBondContact N-O 3.32Å; F649-M652 HydrophobicContact CB-CB 4.31Å; F649-M652 PolarHBondContact O-N 3.28Å; F649-M652 VanDerWaalsContact O-N 3.07Å; M650-M652 VanDerWaalsContact C-N 3.26Å; M650-M652 PolarHBondContact O-N 3.39Å; M652-P654 VanDerWaalsContact C-CD 3.49Å
653	F	97.7	Very high	96.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	-134.3	60.7	178.8	-63.4	-102.8	0	0	0	109.8	F578 F597 F601 L607 Y642 L645 S646 F649 M650 D655	F578-F653 HydrophobicContact CZ-CE2 4.35Å; F578-F653 HydrophobicContact CZ-CZ 4.21Å; F597-F653 HydrophobicContact CB-CE1 4.29Å; F597-F653 HydrophobicContact CB-CZ 4.18Å; F597-F653 AromaticContact CD2-CE1 3.99Å; F597-F653 HydrophobicContact CD2-CE1 3.99Å; F597-F653 HydrophobicContact CG-CE1 4.21Å; F601-F653 HydrophobicContact CD2-CE2 4.17Å; L607-F653 HydrophobicContact CB-CD1 4.33Å; L607-F653 HydrophobicContact CB-CE1 4.44Å; L607-F653 HydrophobicContact CD1-CD1 4.41Å; L607-F653 HydrophobicContact CD1-CE1 3.94Å; L607-F653 HydrophobicContact CD1-CE2 4.16Å; L607-F653 HydrophobicContact CD1-CZ 3.78Å; L607-F653 HydrophobicContact CD2-CE1 3.98Å; L607-F653 HydrophobicContact CD2-CZ 4.44Å; L607-F653 HydrophobicContact CG-CE1 4.34Å; Y642-F653 HydrophobicContact CD1-CD1 4.47Å; Y642-F653 AromaticContact CD2-CD1 3.61Å; Y642-F653 HydrophobicContact CD2-CD1 3.61Å; Y642-F653 HydrophobicContact CD2-CE1 4.2Å; Y642-F653 HydrophobicContact CE1-CB 4.11Å; Y642-F653 HydrophobicContact CE1-CD1 4.48Å; Y642-F653 HydrophobicContact CE2-CB 4.29Å; Y642-F653 AromaticContact CE2-CD1 3.62Å; Y642-F653 HydrophobicContact CE2-CD1 3.62Å; Y642-F653 HydrophobicContact CE2-CE1 4.47Å; Y642-F653 HydrophobicContact CE2-CG 4.39Å; Y642-F653 HydrophobicContact CG-CD1 4.05Å; Y642-F653 VanDerWaalsContact OH-C 3.27Å; Y642-F653 WeakPolarHBondContact OH-CA 3.29Å; L645-F653 HydrophobicContact CB-CD1 4.03Å; L645-F653 HydrophobicContact CB-CD2 4.13Å; L645-F653 HydrophobicContact CB-CE1 3.81Å; L645-F653 HydrophobicContact CB-CE2 3.91Å; L645-F653 HydrophobicContact CB-CG 4.21Å; L645-F653 HydrophobicContact CB-CZ 3.76Å; L645-F653 HydrophobicContact CD1-CE1 3.77Å; L645-F653 HydrophobicContact CD1-CE2 4.46Å; L645-F653 HydrophobicContact CD1-CZ 3.63Å; L645-F653 HydrophobicContact CG-CE1 4.45Å; L645-F653 HydrophobicContact CG-CZ 4.26Å; S646-F653 VanDerWaalsContact CB-O 3.3Å; S646-F653 WeakPolarHBondContact CB-O 3.46Å; F649-F653 HydrophobicContact CB-CD2 3.85Å; F649-F653 HydrophobicContact CB-CE2 4.16Å; F649-F653 HydrophobicContact CD2-CE2 4.32Å; F649-F653 PolarHBondContact O-N 3.47Å; F649-F653 VanDerWaalsContact O-N 3.08Å; M650-F653 CarbonylContact O-C 3.53Å; M650-F653 VanDerWaalsContact O-C 3.31Å; M650-F653 PolarHBondContact O-N 2.83Å; F653-D655 PolarHBondContact O-N 2.95Å
654	P	96.6	Very high	96.3	Very high	59 Å²	59	45.9 Å²	45.9	38%	0.383	25%	0.251	S	S	.	.			trans	-73.7	-30.4	-164.3	28.8	-36.5	0	0	0	114.1	M650 M652 T656	M650-P654 VanDerWaalsContact O-CA 3.3Å; M650-P654 WeakPolarHBondContact O-CA 3.47Å; M652-P654 VanDerWaalsContact C-CD 3.49Å; P654-T656 PolarHBondContact O-N 2.85Å
655	D	96.8	Very high	96.2	Very high	56 Å²	56	50.1 Å²	50.1	30%	0.299	27%	0.272	S	S	.	.			trans	-89.5	43.9	-162.5	-63.5	-42.6	0	0	0	113.5	T608 F609 Y642 F653 A657 A658 V659	T608-D655 WeakPolarHBondContact CA-OD2 3.38Å; T608-D655 WeakPolarHBondContact CB-OD2 3.4Å; F609-D655 HydrophobicContact CB-CB 3.8Å; F609-D655 PolarHBondContact N-OD2 3.21Å; Y642-D655 PolarHBondContact OH-N 2.94Å; F653-D655 PolarHBondContact O-N 2.95Å; D655-A657 PolarHBondContact O-N 2.94Å; D655-A658 HydrophobicContact CB-CB 4.49Å; D655-A658 PolarHBondContact O-N 3.31Å; D655-V659 WeakPolarHBondContact O-CG2 3.37Å; D655-V659 PolarHBondContact O-N 2.66Å
656	T	94.9	Very high	96.2	Very high	49 Å²	49	50.1 Å²	50.1	30%	0.301	27%	0.272	S	S	.	.	H	α-helix	trans	-53.8	-50.1	-175	46.8	0	0	0	0	114.1	L643 S646 P654 A658 V659 R660	L643-T656 HydrophobicContact CD2-CG2 4.02Å; S646-T656 WeakPolarHBondContact OG-CG2 3.23Å; P654-T656 PolarHBondContact O-N 2.85Å; T656-A658 PolarHBondContact O-N 3.07Å; T656-V659 PolarHBondContact O-N 2.97Å; T656-R660 VanDerWaalsContact O-CB 3.31Å; T656-R660 WeakPolarHBondContact O-CB 3.37Å; T656-R660 PolarHBondContact O-N 2.98Å
657	A	94.5	Very high	96.1	Very high	82 Å²	82	50.9 Å²	50.9	68%	0.678	28%	0.276	S	S	*	.	H	α-helix	trans	-62.7	-40.2	-178.8	0	0	0	0	0	112.6	D655 R660 G661	D655-A657 PolarHBondContact O-N 2.94Å; A657-R660 PolarHBondContact O-N 2.94Å; A657-G661 PolarHBondContact O-N 3.35Å
658	A	96.6	Very high	96.1	Very high	42 Å²	42	52.4 Å²	52.4	35%	0.347	29%	0.287	S	S	.	.	H	α-helix	trans	-70.1	-42.3	178.5	0	0	0	0	0	111.7	F609 D655 T656 R660 G661 I662	F609-A658 HydrophobicContact CB-CB 4.34Å; F609-A658 HydrophobicContact CD2-CB 3.48Å; F609-A658 VanDerWaalsContact CD2-CB 3.48Å; F609-A658 HydrophobicContact CE2-CB 3.8Å; F609-A658 WeakPolarHBondContact CE2-O 3.41Å; F609-A658 HydrophobicContact CG-CB 3.89Å; F609-A658 HydrophobicContact CZ-CB 4.46Å; D655-A658 HydrophobicContact CB-CB 4.49Å; D655-A658 PolarHBondContact O-N 3.31Å; T656-A658 PolarHBondContact O-N 3.07Å; A658-R660 VanDerWaalsContact C-N 3.32Å; A658-R660 PolarHBondContact O-N 3.47Å; A658-G661 PolarHBondContact O-N 3.05Å; A658-I662 PolarHBondContact O-N 3.36Å
659	V	97.3	Very high	96.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.5	-35.8	173.4	171.5	0	0	0	0	111.7	F609 V612 L639 Y642 L643 D655 T656 I662 Q663	F609-V659 HydrophobicContact CD2-CG2 4.15Å; V612-V659 HydrophobicContact CG1-CG2 4.46Å; V612-V659 HydrophobicContact CG2-CG2 4.43Å; L639-V659 HydrophobicContact CB-CG1 4.4Å; L639-V659 HydrophobicContact CD2-CG1 4.1Å; Y642-V659 HydrophobicContact CD1-CB 3.98Å; Y642-V659 HydrophobicContact CD1-CG1 3.66Å; Y642-V659 HydrophobicContact CD1-CG2 3.9Å; Y642-V659 HydrophobicContact CE1-CB 4.05Å; Y642-V659 HydrophobicContact CE1-CG1 4.26Å; Y642-V659 HydrophobicContact CE1-CG2 3.68Å; Y642-V659 HydrophobicContact CE2-CG2 4.46Å; Y642-V659 HydrophobicContact CG-CG1 4.08Å; Y642-V659 HydrophobicContact CG-CG2 4.4Å; L643-V659 HydrophobicContact CD2-CB 4.36Å; L643-V659 HydrophobicContact CD2-CG1 4.17Å; L643-V659 HydrophobicContact CG-CG1 4.25Å; D655-V659 WeakPolarHBondContact O-CG2 3.37Å; D655-V659 PolarHBondContact O-N 2.66Å; T656-V659 PolarHBondContact O-N 2.97Å; V659-I662 WeakPolarHBondContact O-CG1 3.23Å; V659-Q663 PolarHBondContact O-N 2.98Å
660	R	95.3	Very high	96.1	Very high	42 Å²	42	49.1 Å²	49.1	16%	0.158	28%	0.276	C	S	.	.	H	α-helix	trans	-62.5	-44.7	174.7	176.3	73.9	-58.1	144.9	35	111.2	L643 T656 A657 A658 Q663 Q664	L643-R660 HydrophobicContact CD1-CB 4.39Å; T656-R660 VanDerWaalsContact O-CB 3.31Å; T656-R660 WeakPolarHBondContact O-CB 3.37Å; T656-R660 PolarHBondContact O-N 2.98Å; A657-R660 PolarHBondContact O-N 2.94Å; A658-R660 VanDerWaalsContact C-N 3.32Å; A658-R660 PolarHBondContact O-N 3.47Å; R660-Q663 VanDerWaalsContact NH2-NE2 3.19Å; R660-Q663 PolarHBondContact O-N 3.37Å; R660-Q664 PolarHBondContact O-N 3.43Å; R660-Q664 VanDerWaalsContact O-N 3.13Å
661	G	96.1	Very high	96	Very high	25 Å²	25	44.3 Å²	44.3	26%	0.258	25%	0.251	S	S	.	.	H	α-helix	trans	-57.9	-52	177.2	0	0	0	0	0	113.2	A657 A658 Q663 Q664 E665	A657-G661 PolarHBondContact O-N 3.35Å; A658-G661 PolarHBondContact O-N 3.05Å; G661-Q663 VanDerWaalsContact C-N 3.28Å; G661-Q663 PolarHBondContact O-N 3.43Å; G661-Q664 WeakPolarHBondContact O-CB 3.32Å; G661-Q664 PolarHBondContact O-N 2.93Å; G661-E665 PolarHBondContact O-N 2.83Å
662	I	96.9	Very high	95.8	Very high	7 Å²	7	42.2 Å²	42.2	4%	0.036	24%	0.237	C	C	.	.	H	α-helix	trans	-66.6	-25.9	178.9	61.1	167	0	0	0	113.4	F609 I616 W618 L639 A658 V659 L666	F609-I662 HydrophobicContact CD2-CD1 4.48Å; F609-I662 HydrophobicContact CE2-CD1 3.84Å; F609-I662 HydrophobicContact CE2-CG1 4.08Å; F609-I662 HydrophobicContact CE2-CG2 3.72Å; F609-I662 HydrophobicContact CZ-CG2 3.78Å; I616-I662 HydrophobicContact CD1-CD1 3.94Å; W618-I662 HydrophobicContact CD2-CB 4.49Å; W618-I662 HydrophobicContact CD2-CG2 4.41Å; W618-I662 HydrophobicContact CH2-CB 4.18Å; W618-I662 HydrophobicContact CZ2-CB 4.07Å; W618-I662 HydrophobicContact CZ2-CG2 3.91Å; W618-I662 HydrophobicContact CZ3-CB 4.43Å; L639-I662 HydrophobicContact CD1-CD1 4.43Å; L639-I662 HydrophobicContact CD1-CG1 4.28Å; L639-I662 HydrophobicContact CD2-CD1 4.12Å; A658-I662 PolarHBondContact O-N 3.36Å; V659-I662 WeakPolarHBondContact O-CG1 3.23Å; I662-L666 VanDerWaalsContact O-CB 3.29Å; I662-L666 WeakPolarHBondContact O-CB 3.33Å; I662-L666 PolarHBondContact O-N 3.04Å
663	Q	96.8	Very high	95.5	Very high	11 Å²	11	41.7 Å²	41.7	5%	0.051	24%	0.235	C	C	.	.	H	α-helix	trans	-70	-38.8	170.9	-164	-163.3	75.9	0	0	111.4	H636 L639 D640 V659 R660 G661 E665 L666 D667	H636-Q663 VanDerWaalsContact CD2-CG 3.41Å; H636-Q663 WeakPolarHBondContact CD2-CG 3.39Å; H636-Q663 PolarHBondContact CE1-NE2 3.45Å; H636-Q663 PolarHBondContact CE1-OE1 2.81Å; H636-Q663 WeakPolarHBondContact NE2-CG 3.42Å; H636-Q663 PolarHBondContact NE2-OE1 3.16Å; H636-Q663 PolarHBondContact O-NE2 3.42Å; L639-Q663 HydrophobicContact CB-CB 4.15Å; L639-Q663 HydrophobicContact CB-CG 4.1Å; L639-Q663 HydrophobicContact CD1-CB 3.74Å; L639-Q663 HydrophobicContact CD1-CG 4.01Å; D640-Q663 PolarHBondContact OD1-NE2 3.36Å; V659-Q663 PolarHBondContact O-N 2.98Å; R660-Q663 VanDerWaalsContact NH2-NE2 3.19Å; R660-Q663 PolarHBondContact O-N 3.37Å; G661-Q663 VanDerWaalsContact C-N 3.28Å; G661-Q663 PolarHBondContact O-N 3.43Å; Q663-E665 VanDerWaalsContact C-N 3.34Å; Q663-L666 CarbonylContact O-C 3.54Å; Q663-L666 WeakPolarHBondContact O-CB 3.43Å; Q663-L666 PolarHBondContact O-N 3.4Å; Q663-L666 VanDerWaalsContact O-N 3.15Å; Q663-D667 PolarHBondContact O-N 3.09Å
664	Q	95.3	Very high	95.2	Very high	115 Å²	115	41.8 Å²	41.8	54%	0.537	24%	0.236	S	C	.	.	H	α-helix	trans	-63.8	-41.1	176.2	-70.1	174.7	-12.4	0	0	111.2	R660 G661 L666 D667 I668	R660-Q664 PolarHBondContact O-N 3.43Å; R660-Q664 VanDerWaalsContact O-N 3.13Å; G661-Q664 WeakPolarHBondContact O-CB 3.32Å; G661-Q664 PolarHBondContact O-N 2.93Å; Q664-L666 VanDerWaalsContact C-N 3.34Å; Q664-L666 PolarHBondContact O-N 3.09Å; Q664-D667 PolarHBondContact O-N 2.85Å; Q664-I668 WeakPolarHBondContact O-CG1 3.44Å; Q664-I668 PolarHBondContact O-N 2.92Å; Q664-I668 VanDerWaalsContact O-N 3.14Å
665	E	96.4	Very high	94.7	Very high	110 Å²	110	46 Å²	46	51%	0.514	24%	0.244	S	C	.	.	H	α-helix	trans	-61.1	-41.4	170.5	-69.8	-177.5	-141.7	0	0	112.1	W618 G661 Q663 I668 I669	W618-E665 HydrophobicContact CH2-CB 3.9Å; W618-E665 HydrophobicContact CZ2-CB 4.25Å; W618-E665 WeakPolarHBondContact CZ2-OE2 3.41Å; G661-E665 PolarHBondContact O-N 2.83Å; Q663-E665 VanDerWaalsContact C-N 3.34Å; E665-I668 WeakPolarHBondContact O-CB 3.45Å; E665-I668 PolarHBondContact O-N 2.92Å; E665-I669 WeakPolarHBondContact O-CG1 3.36Å; E665-I669 PolarHBondContact O-N 2.87Å
666	L	96.8	Very high	94.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65.7	-38.6	176.3	179.9	59.4	0	0	0	113.1	W618 L620 L632 V635 H636 L639 I662 Q663 Q664 I668 I669 I670	W618-L666 HydrophobicContact CZ3-CB 4.4Å; L620-L666 HydrophobicContact CD1-CD1 3.92Å; L632-L666 HydrophobicContact CB-CD1 4.17Å; L632-L666 HydrophobicContact CD2-CD1 3.81Å; L632-L666 HydrophobicContact CG-CD1 4.46Å; V635-L666 HydrophobicContact CB-CD2 4.01Å; V635-L666 HydrophobicContact CG1-CD2 3.72Å; H636-L666 HydrophobicContact CB-CD2 3.99Å; L639-L666 HydrophobicContact CD1-CD2 3.95Å; I662-L666 VanDerWaalsContact O-CB 3.29Å; I662-L666 WeakPolarHBondContact O-CB 3.33Å; I662-L666 PolarHBondContact O-N 3.04Å; Q663-L666 CarbonylContact O-C 3.54Å; Q663-L666 WeakPolarHBondContact O-CB 3.43Å; Q663-L666 PolarHBondContact O-N 3.4Å; Q663-L666 VanDerWaalsContact O-N 3.15Å; Q664-L666 VanDerWaalsContact C-N 3.34Å; Q664-L666 PolarHBondContact O-N 3.09Å; L666-I668 VanDerWaalsContact C-N 3.3Å; L666-I668 PolarHBondContact O-N 3.3Å; L666-I669 PolarHBondContact O-N 3.16Å; L666-I670 HydrophobicContact CD1-CD1 4.18Å; L666-I670 HydrophobicContact CD1-CG1 4.3Å; L666-I670 HydrophobicContact CG-CD1 3.93Å; L666-I670 HydrophobicContact CG-CG1 4.49Å; L666-I670 WeakPolarHBondContact O-CG1 3.44Å; L666-I670 PolarHBondContact O-N 3.05Å
667	D	95.4	Very high	93.8	Very high	18 Å²	18	44.1 Å²	44.1	10%	0.096	23%	0.232	C	C	.	.	H	α-helix	trans	-60.8	-41.9	173.2	-166.4	-16.2	0	0	0	109.9	P404 G406 T407 Q663 Q664 I669 I670 Q671	P404-D667 HydrophobicContact CB-CB 4.17Å; P404-D667 WeakPolarHBondContact CB-OD1 3.33Å; P404-D667 VanDerWaalsContact CB-OD2 3.27Å; P404-D667 WeakPolarHBondContact CB-OD2 3.37Å; G406-D667 WeakPolarHBondContact CA-OD2 3.26Å; G406-D667 PolarHBondContact N-OD2 3.38Å; T407-D667 WeakPolarHBondContact CB-OD1 3.46Å; T407-D667 PolarHBondContact N-OD1 3.3Å; T407-D667 PolarHBondContact OG1-O 3.18Å; T407-D667 PolarHBondContact OG1-OD1 3.33Å; Q663-D667 PolarHBondContact O-N 3.09Å; Q664-D667 PolarHBondContact O-N 2.85Å; D667-I669 VanDerWaalsContact C-N 3.35Å; D667-I669 PolarHBondContact O-N 2.94Å; D667-I670 PolarHBondContact O-N 2.88Å; D667-Q671 VanDerWaalsContact O-CB 3.23Å; D667-Q671 WeakPolarHBondContact O-CB 3.29Å; D667-Q671 PolarHBondContact O-N 3.08Å
668	I	95.3	Very high	93.2	Very high	91 Å²	91	41 Å²	41	47%	0.467	21%	0.205	S	C	.	.	H	α-helix	trans	-61.1	-40.8	173.9	-64.8	164.9	0	0	0	111.7	Q664 E665 L666 Q671 Q672	Q664-I668 WeakPolarHBondContact O-CG1 3.44Å; Q664-I668 PolarHBondContact O-N 2.92Å; Q664-I668 VanDerWaalsContact O-N 3.14Å; E665-I668 WeakPolarHBondContact O-CB 3.45Å; E665-I668 PolarHBondContact O-N 2.92Å; L666-I668 VanDerWaalsContact C-N 3.3Å; L666-I668 PolarHBondContact O-N 3.3Å; I668-Q671 PolarHBondContact O-N 3.18Å; I668-Q672 WeakPolarHBondContact O-CG 3.38Å; I668-Q672 PolarHBondContact O-N 3.38Å
669	I	95.8	Very high	92.7	Very high	28 Å²	28	46.9 Å²	46.9	14%	0.144	22%	0.218	C	C	.	.	H	α-helix	trans	-65.4	-43.7	175.6	-63.8	166.2	0	0	0	110.9	W618 L632 E665 L666 D667 Q672 G673	W618-I669 HydrophobicContact CH2-CD1 4.47Å; L632-I669 HydrophobicContact CD1-CG2 3.97Å; E665-I669 WeakPolarHBondContact O-CG1 3.36Å; E665-I669 PolarHBondContact O-N 2.87Å; L666-I669 PolarHBondContact O-N 3.16Å; D667-I669 VanDerWaalsContact C-N 3.35Å; D667-I669 PolarHBondContact O-N 2.94Å; I669-Q672 PolarHBondContact O-N 3.33Å; I669-G673 PolarHBondContact O-N 3.22Å
670	I	95.6	Very high	92.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.3	-43.7	176.4	-69.5	166.1	0	0	0	110.2	P404 T407 L629 L632 H636 L666 D667 Q672 G673 V674	P404-I670 HydrophobicContact CG-CB 4.35Å; P404-I670 HydrophobicContact CG-CD1 3.7Å; P404-I670 HydrophobicContact CG-CG2 3.97Å; T407-I670 HydrophobicContact CG2-CG2 4.45Å; L629-I670 HydrophobicContact CD1-CG2 4.12Å; L632-I670 HydrophobicContact CB-CD1 4.07Å; L632-I670 HydrophobicContact CB-CG1 3.73Å; L632-I670 HydrophobicContact CD1-CG1 4.47Å; H636-I670 HydrophobicContact CB-CD1 4.07Å; L666-I670 HydrophobicContact CD1-CD1 4.18Å; L666-I670 HydrophobicContact CD1-CG1 4.3Å; L666-I670 HydrophobicContact CG-CD1 3.93Å; L666-I670 HydrophobicContact CG-CG1 4.49Å; L666-I670 WeakPolarHBondContact O-CG1 3.44Å; L666-I670 PolarHBondContact O-N 3.05Å; D667-I670 PolarHBondContact O-N 2.88Å; I670-Q672 VanDerWaalsContact C-N 3.32Å; I670-Q672 PolarHBondContact O-N 3.48Å; I670-G673 CarbonylContact O-C 3.6Å; I670-G673 WeakPolarHBondContact O-CA 3.38Å; I670-G673 PolarHBondContact O-N 3.2Å; I670-V674 HydrophobicContact CG2-CG2 4.21Å; I670-V674 WeakPolarHBondContact O-CG2 3.33Å; I670-V674 PolarHBondContact O-N 3.33Å
671	Q	93.5	Very high	91.6	Very high	38 Å²	38	46 Å²	46	18%	0.178	22%	0.216	C	C	.	.	H	α-helix	trans	-58.5	-41.4	175.7	-179.5	-176.9	-27.4	0	0	111.9	T407 S410 D667 I668 R675	T407-Q671 WeakPolarHBondContact OG1-CA 3.3Å; T407-Q671 WeakPolarHBondContact OG1-CB 3.42Å; T407-Q671 PolarHBondContact OG1-N 3.1Å; S410-Q671 VanDerWaalsContact OG-CD 3.27Å; S410-Q671 PolarHBondContact OG-NE2 2.91Å; D667-Q671 VanDerWaalsContact O-CB 3.23Å; D667-Q671 WeakPolarHBondContact O-CB 3.29Å; D667-Q671 PolarHBondContact O-N 3.08Å; I668-Q671 PolarHBondContact O-N 3.18Å; Q671-R675 VanDerWaalsContact NE2-NH2 3.14Å; Q671-R675 WeakPolarHBondContact O-CB 3.33Å; Q671-R675 VanDerWaalsContact O-CG 3.26Å; Q671-R675 WeakPolarHBondContact O-CG 3.46Å; Q671-R675 PolarHBondContact O-N 3.39Å
672	Q	91.2	Very high	91	Very high	99 Å²	99	50.6 Å²	50.6	46%	0.463	23%	0.226	S	C	.	.	H	α-helix	trans	-65.6	-39.3	172.6	-70.7	175.4	19	0	0	112	I668 I669 I670 N676	I668-Q672 WeakPolarHBondContact O-CG 3.38Å; I668-Q672 PolarHBondContact O-N 3.38Å; I669-Q672 PolarHBondContact O-N 3.33Å; I670-Q672 VanDerWaalsContact C-N 3.32Å; I670-Q672 PolarHBondContact O-N 3.48Å; Q672-N676 PolarHBondContact O-N 3.18Å; Q672-N676 PolarHBondContact O-ND2 3.43Å
673	G	91.5	Very high	90.3	Very high	3 Å²	3	53.1 Å²	53.1	3%	0.031	25%	0.248	C	C	.	.	H	α-helix	trans	-61.4	-48	173	0	0	0	0	0	112.9	I669 I670 R675 N676 I677 L680	I669-G673 PolarHBondContact O-N 3.22Å; I670-G673 CarbonylContact O-C 3.6Å; I670-G673 WeakPolarHBondContact O-CA 3.38Å; I670-G673 PolarHBondContact O-N 3.2Å; G673-R675 PolarHBondContact O-N 3.07Å; G673-N676 CarbonylContact O-C 3.52Å; G673-N676 VanDerWaalsContact O-C 3.27Å; G673-N676 PolarHBondContact O-N 3.44Å; G673-N676 VanDerWaalsContact O-N 3.08Å; G673-I677 WeakPolarHBondContact O-CA 3.31Å; G673-I677 PolarHBondContact O-N 2.88Å; G673-L680 WeakPolarHBondContact O-CD1 3.42Å
674	V	90.6	Very high	89.3	Confident	3 Å²	3	55.1 Å²	55.1	2%	0.018	26%	0.263	C	S	.	.	H	α-helix	trans	-66.5	-36.1	178.8	177.2	0	0	0	0	111.5	V398 L403 T407 Q411 L629 I670 N676 I677	V398-V674 HydrophobicContact CB-CG1 4.46Å; L403-V674 HydrophobicContact CD2-CG2 3.74Å; T407-V674 HydrophobicContact CG2-CB 4.19Å; T407-V674 HydrophobicContact CG2-CG1 4.4Å; T407-V674 HydrophobicContact CG2-CG2 3.97Å; Q411-V674 HydrophobicContact CG-CG1 4.19Å; L629-V674 HydrophobicContact CD1-CG2 4.19Å; L629-V674 HydrophobicContact CD2-CG2 4.23Å; I670-V674 HydrophobicContact CG2-CG2 4.21Å; I670-V674 WeakPolarHBondContact O-CG2 3.33Å; I670-V674 PolarHBondContact O-N 3.33Å; V674-N676 PolarHBondContact O-N 3.24Å; V674-I677 VanDerWaalsContact O-CB 3.24Å; V674-I677 WeakPolarHBondContact O-CB 3.34Å; V674-I677 WeakPolarHBondContact O-CG2 3.43Å; V674-I677 PolarHBondContact O-N 3.43Å
675	R	86.6	Confident	87.9	Confident	148 Å²	148	53.3 Å²	53.3	56%	0.558	26%	0.257	S	S	*	.	H	α-helix	trans	-62.3	-29.6	171.1	-77	172.9	177.1	-171	-2.3	113.3	S410 Q671 G673	S410-R675 PolarHBondContact OG-NH2 2.71Å; Q671-R675 VanDerWaalsContact NE2-NH2 3.14Å; Q671-R675 WeakPolarHBondContact O-CB 3.33Å; Q671-R675 VanDerWaalsContact O-CG 3.26Å; Q671-R675 WeakPolarHBondContact O-CG 3.46Å; Q671-R675 PolarHBondContact O-N 3.39Å; G673-R675 PolarHBondContact O-N 3.07Å
676	N	86.4	Confident	86.1	Confident	61 Å²	61	53.5 Å²	53.5	33%	0.326	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	17	178.2	-69.7	-84.4	0	0	0	112.7	Q672 G673 V674 T678 R679 L680	Q672-N676 PolarHBondContact O-N 3.18Å; Q672-N676 PolarHBondContact O-ND2 3.43Å; G673-N676 CarbonylContact O-C 3.52Å; G673-N676 VanDerWaalsContact O-C 3.27Å; G673-N676 PolarHBondContact O-N 3.44Å; G673-N676 VanDerWaalsContact O-N 3.08Å; V674-N676 PolarHBondContact O-N 3.24Å; N676-T678 PolarHBondContact O-N 3.31Å; N676-R679 WeakPolarHBondContact O-CB 3.29Å; N676-R679 PolarHBondContact O-N 3.41Å; N676-R679 PolarHBondContact OD1-NH1 2.93Å; N676-L680 PolarHBondContact O-N 2.72Å
677	I	85.4	Confident	83.9	Confident	4 Å²	4	60.4 Å²	60.4	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-57.5	-31.5	-166.7	-166.9	169.1	0	0	0	113.6	Y383 N386 I626 L629 G673 V674 L680 I681	Y383-I677 HydrophobicContact CD1-CD1 4.07Å; Y383-I677 HydrophobicContact CE1-CD1 3.84Å; N386-I677 WeakPolarHBondContact ND2-CG2 3.18Å; I626-I677 HydrophobicContact CD1-CD1 4.39Å; I626-I677 HydrophobicContact CD1-CG1 3.74Å; L629-I677 HydrophobicContact CD2-CD1 4.19Å; L629-I677 HydrophobicContact CD2-CG1 4.32Å; G673-I677 WeakPolarHBondContact O-CA 3.31Å; G673-I677 PolarHBondContact O-N 2.88Å; V674-I677 VanDerWaalsContact O-CB 3.24Å; V674-I677 WeakPolarHBondContact O-CB 3.34Å; V674-I677 WeakPolarHBondContact O-CG2 3.43Å; V674-I677 PolarHBondContact O-N 3.43Å; I677-L680 CarbonylContact O-C 3.25Å; I677-L680 WeakPolarHBondContact O-CA 3.4Å; I677-L680 WeakPolarHBondContact O-CB 3.49Å; I677-L680 PolarHBondContact O-N 3.45Å; I677-L680 VanDerWaalsContact O-N 3.14Å; I677-I681 HydrophobicContact CG1-CD1 4.31Å; I677-I681 VanDerWaalsContact O-CG1 3.29Å; I677-I681 WeakPolarHBondContact O-CG1 3.36Å; I677-I681 PolarHBondContact O-N 3.4Å
678	T	82.9	Confident	81.7	Confident	15 Å²	15	64.2 Å²	64.2	9%	0.092	33%	0.325	C	S	.	.	H	α-helix	trans	-63.4	-40.5	175.9	54.2	0	0	0	0	112.7	N386 E390 N676 L680 I681 R682	N386-T678 WeakPolarHBondContact OD1-CG2 3.48Å; E390-T678 HydrophobicContact CB-CG2 3.96Å; E390-T678 VanDerWaalsContact CD-CG2 3.45Å; E390-T678 VanDerWaalsContact CD-OG1 3.3Å; E390-T678 HydrophobicContact CG-CG2 4.11Å; E390-T678 WeakPolarHBondContact OE1-CB 3.47Å; E390-T678 WeakPolarHBondContact OE1-CG2 3.44Å; E390-T678 PolarHBondContact OE1-OG1 2.98Å; E390-T678 WeakPolarHBondContact OE2-CB 3.34Å; N676-T678 PolarHBondContact O-N 3.31Å; T678-L680 VanDerWaalsContact C-N 3.31Å; T678-L680 PolarHBondContact O-N 3.17Å; T678-I681 PolarHBondContact O-N 2.86Å; T678-R682 WeakPolarHBondContact O-CG 3.46Å; T678-R682 PolarHBondContact O-N 3.29Å
679	R	86	Confident	79.1	Confident	166 Å²	166	65.1 Å²	65.1	63%	0.626	34%	0.339	S	S	*	.	H	α-helix	trans	-63.3	-39.6	171.6	-60.2	177.2	176.3	168.9	-7.1	110.8	N676 R682 A683	N676-R679 WeakPolarHBondContact O-CB 3.29Å; N676-R679 PolarHBondContact O-N 3.41Å; N676-R679 PolarHBondContact OD1-NH1 2.93Å; R679-R682 PolarHBondContact O-N 3.34Å; R679-A683 WeakPolarHBondContact O-CB 3.28Å; R679-A683 PolarHBondContact O-N 2.92Å
680	L	87.5	Confident	76.2	Confident	7 Å²	7	68.1 Å²	68.1	4%	0.037	36%	0.355	C	S	.	.	H	α-helix	trans	-64.6	-39.3	175.9	-51.1	-176.6	0	0	0	111.9	P623 I626 L629 G673 N676 I677 T678 A683 S684	P623-L680 HydrophobicContact CB-CD1 4.17Å; P623-L680 HydrophobicContact CB-CD2 4.38Å; P623-L680 HydrophobicContact CG-CD1 3.94Å; P623-L680 HydrophobicContact CG-CD2 4.46Å; P623-L680 WeakPolarHBondContact O-CD2 3.15Å; I626-L680 HydrophobicContact CD1-CB 3.81Å; I626-L680 HydrophobicContact CG1-CB 4.08Å; L629-L680 HydrophobicContact CB-CD1 4.18Å; L629-L680 HydrophobicContact CD2-CD1 4.11Å; G673-L680 WeakPolarHBondContact O-CD1 3.42Å; N676-L680 PolarHBondContact O-N 2.72Å; I677-L680 CarbonylContact O-C 3.25Å; I677-L680 WeakPolarHBondContact O-CA 3.4Å; I677-L680 WeakPolarHBondContact O-CB 3.49Å; I677-L680 PolarHBondContact O-N 3.45Å; I677-L680 VanDerWaalsContact O-N 3.14Å; T678-L680 VanDerWaalsContact C-N 3.31Å; T678-L680 PolarHBondContact O-N 3.17Å; L680-A683 PolarHBondContact O-N 3.48Å; L680-S684 WeakPolarHBondContact O-CB 3.41Å; L680-S684 PolarHBondContact O-N 2.89Å; L680-S684 VanDerWaalsContact O-N 3.11Å; L680-S684 PolarHBondContact O-OG 3.33Å
681	I	82.8	Confident	73.6	Confident	17 Å²	17	74 Å²	74	9%	0.087	39%	0.393	C	S	.	.	H	α-helix	trans	-63.3	-50.8	174.9	-67.4	160.3	0	0	0	109.9	Y383 R387 I626 I677 T678 A683 S684 D685	Y383-I681 HydrophobicContact CD1-CD1 4.29Å; Y383-I681 HydrophobicContact CG-CD1 4.37Å; R387-I681 HydrophobicContact CB-CG2 4.46Å; I626-I681 HydrophobicContact CD1-CG1 3.87Å; I626-I681 HydrophobicContact CG1-CG1 3.9Å; I677-I681 HydrophobicContact CG1-CD1 4.31Å; I677-I681 VanDerWaalsContact O-CG1 3.29Å; I677-I681 WeakPolarHBondContact O-CG1 3.36Å; I677-I681 PolarHBondContact O-N 3.4Å; T678-I681 PolarHBondContact O-N 2.86Å; I681-A683 VanDerWaalsContact C-N 3.29Å; I681-A683 PolarHBondContact O-N 3.12Å; I681-S684 WeakPolarHBondContact O-CB 3.27Å; I681-S684 PolarHBondContact O-N 3.07Å; I681-D685 PolarHBondContact O-N 3.04Å
682	R	81.8	Confident	71	Confident	121 Å²	121	77.9 Å²	77.9	46%	0.457	42%	0.415	S	S	.	.	H	α-helix	trans	-57.1	-41	177.5	-67.4	173	-167.7	-136.6	7.7	112.1	E390 T678 R679 S684	E390-R682 IonicContact OE2-CZ 3.18Å; E390-R682 IonicContact OE2-NE 2.63Å; E390-R682 PolarHBondContact OE2-NE 2.68Å; E390-R682 IonicContact OE2-NH2 2.71Å; E390-R682 PolarHBondContact OE2-NH2 3.37Å; T678-R682 WeakPolarHBondContact O-CG 3.46Å; T678-R682 PolarHBondContact O-N 3.29Å; R679-R682 PolarHBondContact O-N 3.34Å; R682-S684 VanDerWaalsContact C-N 3.28Å; R682-S684 PolarHBondContact O-N 2.89Å
683	A	81.8	Confident	68.2	Low	61 Å²	61	81.3 Å²	81.3	50%	0.504	43%	0.431	S	S	.	.	H	α-helix	trans	-71.1	-19	176.7	0	0	0	0	0	114.1	R624 N625 R679 L680 I681	R624-A683 VanDerWaalsContact O-CB 3.28Å; R624-A683 WeakPolarHBondContact O-CB 3.29Å; N625-A683 HydrophobicContact CB-CB 4.48Å; R679-A683 WeakPolarHBondContact O-CB 3.28Å; R679-A683 PolarHBondContact O-N 2.92Å; L680-A683 PolarHBondContact O-N 3.48Å; I681-A683 VanDerWaalsContact C-N 3.29Å; I681-A683 PolarHBondContact O-N 3.12Å
684	S	76.4	Confident	65.5	Low	53 Å²	53	87.1 Å²	87.1	37%	0.371	47%	0.468	S	S	.	.	H	α-helix	trans	-85.2	-23.8	-179.4	-57.5	0	0	0	0	113.4	I626 L680 I681 R682	I626-S684 PolarHBondContact N-OG 3.19Å; L680-S684 WeakPolarHBondContact O-CB 3.41Å; L680-S684 PolarHBondContact O-N 2.89Å; L680-S684 VanDerWaalsContact O-N 3.11Å; L680-S684 PolarHBondContact O-OG 3.33Å; I681-S684 WeakPolarHBondContact O-CB 3.27Å; I681-S684 PolarHBondContact O-N 3.07Å; R682-S684 VanDerWaalsContact C-N 3.28Å; R682-S684 PolarHBondContact O-N 2.89Å
685	D	67.1	Low	62.7	Low	77 Å²	77	96.7 Å²	96.7	41%	0.412	51%	0.512	S	S	.	.			trans	-139.5	79.2	-174.5	-151.4	-25.5	0	0	0	112.9	I681 N687 L688	I681-D685 PolarHBondContact O-N 3.04Å; D685-N687 PolarHBondContact O-N 3.46Å; D685-L688 HydrophobicContact CB-CD1 4.18Å; D685-L688 WeakPolarHBondContact OD2-CD1 3.33Å
686	P	57.3	Low	60	Low	113 Å²	113	92.8 Å²	92.8	73%	0.734	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-5.9	-174.3	30.2	-36.3	0	0	0	114.6
687	N	50.6	Low	57.2	Low	145 Å²	145	98.9 Å²	98.9	78%	0.775	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-8.4	-177.9	-74.4	-22.6	0	0	0	113.7	D685 S689	D685-N687 PolarHBondContact O-N 3.46Å; N687-S689 PolarHBondContact O-N 3.24Å
688	L	49.7	Very low	54.5	Low	99 Å²	99	104.3 Å²	104.3	52%	0.518	58%	0.58	S	S	.	*	S	Bend	trans	-91.6	85.7	175.8	-82.7	142.2	0	0	0	110.4	R387 D685	R387-L688 VanDerWaalsContact NH1-CB 3.33Å; R387-L688 PolarHBondContact NH2-O 3.37Å; D685-L688 HydrophobicContact CB-CD1 4.18Å; D685-L688 WeakPolarHBondContact OD2-CD1 3.33Å
689	S	39.7	Very low	52.1	Low	110 Å²	110	109.8 Å²	109.8	77%	0.769	62%	0.616	S	S	*	*			trans	-49.3	145.9	176.3	-44.5	0	0	0	0	113	N687	N687-S689 PolarHBondContact O-N 3.24Å
690	D	36.6	Very low	49.4	Very low	91 Å²	91	111 Å²	111	49%	0.487	63%	0.629	S	S	.	*			trans	-76.4	126.3	177	-152.8	-29.6	0	0	0	110.4	L692	D690-L692 PolarHBondContact O-N 3.34Å; D690-L692 PolarHBondContact OD1-N 2.75Å
691	P	40.3	Very low	46.8	Very low	122 Å²	122	119.4 Å²	119.4	79%	0.792	67%	0.668	S	S	*	*	S	Bend	trans	-68	-11.4	176.1	-20	33.3	0	0	0	114.1
692	L	39.6	Very low	44.2	Very low	120 Å²	120	127 Å²	127	63%	0.628	71%	0.709	S	S	*	*			trans	-108.4	69.6	-169.5	-70.1	164.6	0	0	0	112.6	D690	D690-L692 PolarHBondContact O-N 3.34Å; D690-L692 PolarHBondContact OD1-N 2.75Å
693	Q	31.3	Very low	41.6	Very low	172 Å²	172	126 Å²	126	80%	0.804	73%	0.726	S	S	*	*			trans	-114	114.8	153.8	-75	-166.8	-3.4	0	0	110	Q695	Q693-Q695 PolarHBondContact O-N 3.13Å
694	P	34.3	Very low	39.1	Very low	124 Å²	124	127.6 Å²	127.6	81%	0.805	74%	0.74	S	S	*	*			trans	-63.7	127.2	171.5	-19.1	31.7	0	0	0	110.5	G696	P694-G696 PolarHBondContact O-N 3.29Å; P694-G696 VanDerWaalsContact O-N 3.15Å
695	Q	33.7	Very low	36.8	Very low	204 Å²	204	129.9 Å²	129.9	95%	0.953	76%	0.762	S	S	*	*			trans	-69.1	109.3	170.1	-70.2	-177.9	-8.3	0	0	109.2	Q693	Q693-Q695 PolarHBondContact O-N 3.13Å
696	G	29.1	Very low	34.9	Very low	66 Å²	66	130.6 Å²	130.6	68%	0.68	78%	0.778	S	S	*	*			trans	-142.2	83.9	-170.2	0	0	0	0	0	114.7	P694	P694-G696 PolarHBondContact O-N 3.29Å; P694-G696 VanDerWaalsContact O-N 3.15Å
697	Q	27.7	Very low	33.5	Very low	190 Å²	190	130.5 Å²	130.5	89%	0.888	79%	0.787	S	S	*	*			trans	63.1	144.6	155.4	-63.7	-179	-13.3	0	0	120.3
698	P	29	Very low	32.3	Very low	118 Å²	118	127.2 Å²	127.2	77%	0.766	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-84.3	141.6	175.4	34.4	-33.2	0	0	0	111.8
699	P	32.7	Very low	31.3	Very low	129 Å²	129	127.7 Å²	127.7	84%	0.838	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-77.4	138.2	174.8	30.6	-33.2	0	0	0	112
700	E	29.1	Very low	30.8	Very low	192 Å²	192	133.9 Å²	133.9	90%	0.897	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-69.2	161.5	176.6	-67.9	-175.9	128	0	0	113.3
701	Q	32	Very low	30.4	Very low	184 Å²	184	135.5 Å²	135.5	86%	0.86	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-70.4	135	175.6	-62.4	169.9	-5.4	0	0	111
702	N	29.1	Very low	29.8	Very low	176 Å²	176	140.9 Å²	140.9	94%	0.941	83%	0.829	S	S	*	*			trans	-152.2	136.9	141.5	-103.9	-45.2	0	0	0	111
703	A	27.4	Very low	29.3	Very low	99 Å²	99	141.1 Å²	141.1	82%	0.818	84%	0.84	S	S	*	*			trans	-122.4	134.7	-175.3	0	0	0	0	0	110.4
704	A	28	Very low	29.1	Very low	96 Å²	96	145.1 Å²	145.1	79%	0.793	85%	0.848	S	S	*	*			trans	-171.8	133.5	148.1	0	0	0	0	0	111.8
705	A	28.1	Very low	28.7	Very low	101 Å²	101	143 Å²	143	84%	0.835	85%	0.848	S	S	*	*			trans	46.8	145.1	143.3	0	0	0	0	0	122.3
706	A	27.2	Very low	28.4	Very low	91 Å²	91	142.7 Å²	142.7	75%	0.752	85%	0.847	S	S	*	*			cis	-170	162.6	-16	0	0	0	0	0	110.9
707	A	28	Very low	28.3	Very low	111 Å²	111	151.8 Å²	151.8	92%	0.917	86%	0.861	S	S	*	*			trans	70.6	128.2	157.1	0	0	0	0	0	120.4
708	G	26.4	Very low	28.2	Very low	77 Å²	77	146.6 Å²	146.6	79%	0.794	86%	0.858	S	S	*	*			trans	167.7	44.1	170.5	0	0	0	0	0	120.5
709	S	29	Very low	28.1	Very low	109 Å²	109	146.8 Å²	146.8	76%	0.762	86%	0.863	S	S	*	*			trans	57.9	97.9	160.1	-165.8	0	0	0	0	121.6
710	R	28.2	Very low	27.7	Very low	239 Å²	239	145 Å²	145	90%	0.902	86%	0.858	S	S	*	*				41.2	118.8	118	-62.5	176.9	173.8	179.5	-0.7	121.1
711	S	29	Very low	27.7	Very low	126 Å²	126	144.3 Å²	144.3	88%	0.881	86%	0.855	S	S	*	*				-158.5	157.2	119.2	174.1	0	0	0	0	110.2
712	R	27.5	Very low	27.5	Very low	234 Å²	234	142.8 Å²	142.8	88%	0.883	86%	0.858	S	S	*	*			trans	-118	141.1	-168.6	-68.9	169.8	164.3	169	-6.9	112.3
713	S	28.3	Very low	27.6	Very low	125 Å²	125	140.1 Å²	140.1	87%	0.874	85%	0.849	S	S	*	*				-176.2	111.5	121.2	32.5	0	0	0	0	115.4
714	R	26.9	Very low	28.2	Very low	257 Å²	257	144.5 Å²	144.5	97%	0.97	85%	0.852	S	S	*	*			trans	-0.8	134.8	153.7	-89.3	174.1	160.2	169.9	-6.9	122.3
715	G	25.9	Very low	28.9	Very low	78 Å²	78	147.7 Å²	147.7	80%	0.804	85%	0.848	S	S	*	*			trans	98.7	134.7	135.1	0	0	0	0	0	115.8
716	Q	28.6	Very low	30.8	Very low	198 Å²	198	146.5 Å²	146.5	93%	0.925	83%	0.834	S	S	*	*			cis	-154.7	146.5	-2.6	-157.4	170.4	9	0	0	108.1
717	R	27.2	Very low	32.3	Very low	257 Å²	257	148.1 Å²	148.1	97%	0.97	83%	0.829	S	S	*	*			trans	-75.7	134.6	-178.6	-88.5	-179.2	171.1	170.8	-4.4	111.8
718	G	24.6	Very low	34.2	Very low	82 Å²	82	144.2 Å²	144.2	85%	0.845	80%	0.797	S	S	*	*			trans	-137.6	124.8	156.5	0	0	0	0	0	108.7
719	S	27.9	Very low	36.1	Very low	122 Å²	122	143 Å²	143	85%	0.853	78%	0.777	S	S	*	*			trans	-101	130.4	-176.3	49.5	0	0	0	0	111.6
720	A	24.3	Very low	38	Very low	90 Å²	90	145 Å²	145	74%	0.744	77%	0.767	S	S	*	*			trans	-171.4	124.7	148.8	0	0	0	0	0	112.1
721	E	27.8	Very low	39.9	Very low	179 Å²	179	136.3 Å²	136.3	84%	0.836	74%	0.738	S	S	*	*			trans	38.4	106.9	137.1	-61	175.8	152.4	0	0	120.2	T723	E721-T723 PolarHBondContact O-N 2.88Å; E721-T723 VanDerWaalsContact O-N 3.1Å
722	T	29.3	Very low	42	Very low	151 Å²	151	132.4 Å²	132.4	93%	0.926	71%	0.709	S	S	*	*			trans	-71.3	90.2	158	40.9	0	0	0	0	111.3
723	T	29.9	Very low	44	Very low	120 Å²	120	129.8 Å²	129.8	74%	0.736	70%	0.704	S	S	*	*			trans	-78.7	136.8	164.4	-10.4	0	0	0	0	110.5	E721 K725	E721-T723 PolarHBondContact O-N 2.88Å; E721-T723 VanDerWaalsContact O-N 3.1Å; T723-K725 PolarHBondContact O-N 3.08Å
724	E	40.2	Very low	46.2	Very low	191 Å²	191	128.8 Å²	128.8	89%	0.893	69%	0.689	S	S	*	*			trans	-60.6	124.7	176.7	-63.8	-175.5	128	0	0	111.4	S726	E724-S726 PolarHBondContact O-N 3.01Å; E724-S726 VanDerWaalsContact O-N 3.13Å
725	K	43.1	Very low	48.2	Very low	163 Å²	163	119.6 Å²	119.6	71%	0.709	67%	0.674	S	S	*	*			trans	-78.9	100.5	179.1	-69.6	-177	-179.8	177.9	0	110.1	T723	T723-K725 PolarHBondContact O-N 3.08Å
726	S	68.7	Low	50.5	Low	76 Å²	76	122.3 Å²	122.3	53%	0.531	67%	0.67	S	S	.	*			trans	-55.6	153	-178.2	77.5	0	0	0	0	112.8	E724 A728 S729	E724-S726 PolarHBondContact O-N 3.01Å; E724-S726 VanDerWaalsContact O-N 3.13Å; S726-A728 PolarHBondContact O-N 3.06Å; S726-A728 VanDerWaalsContact O-N 3.12Å; S726-S729 WeakPolarHBondContact O-CB 3.41Å; S726-S729 PolarHBondContact O-N 3.32Å; S726-S729 PolarHBondContact O-OG 3.42Å
727	L	57.5	Low	52.7	Low	126 Å²	126	114.6 Å²	114.6	66%	0.66	64%	0.635	S	S	*	*	H	α-helix	trans	-49.6	-41.7	-176.7	-173.7	71.4	0	0	0	112.9	S729 R730 L731	L727-S729 VanDerWaalsContact C-N 3.27Å; L727-S729 PolarHBondContact O-N 3.48Å; L727-R730 PolarHBondContact O-N 2.96Å; L727-R730 VanDerWaalsContact O-N 3.07Å; L727-L731 HydrophobicContact CG-CD1 4.2Å; L727-L731 PolarHBondContact O-N 2.89Å; L727-L731 VanDerWaalsContact O-N 3.12Å
728	A	68.6	Low	55.2	Low	28 Å²	28	106 Å²	106	23%	0.231	61%	0.611	C	S	.	*	H	α-helix	trans	-56.6	-37.6	177	0	0	0	0	0	113.3	S726 R730 V732 L742	S726-A728 PolarHBondContact O-N 3.06Å; S726-A728 VanDerWaalsContact O-N 3.12Å; A728-R730 VanDerWaalsContact C-N 3.34Å; A728-V732 WeakPolarHBondContact O-CG2 3.34Å; A728-V732 PolarHBondContact O-N 3.09Å; A728-L742 HydrophobicContact CB-CD1 3.8Å; A728-L742 HydrophobicContact CB-CD2 3.99Å
729	S	65.9	Low	57.6	Low	53 Å²	53	105.6 Å²	105.6	37%	0.371	59%	0.593	S	S	.	*	H	α-helix	trans	-73.4	-23.3	178.5	72	0	0	0	0	113.6	S726 L727 K733	S726-S729 WeakPolarHBondContact O-CB 3.41Å; S726-S729 PolarHBondContact O-N 3.32Å; S726-S729 PolarHBondContact O-OG 3.42Å; L727-S729 VanDerWaalsContact C-N 3.27Å; L727-S729 PolarHBondContact O-N 3.48Å; S729-K733 WeakPolarHBondContact O-CB 2.77Å; S729-K733 PolarHBondContact O-N 3.49Å
730	R	67.9	Low	59.8	Low	150 Å²	150	104.7 Å²	104.7	57%	0.566	58%	0.579	S	S	*	*	H	α-helix	trans	-76.1	-48.9	171.4	-65.6	-175.8	-171.6	162.6	3.7	111.1	L727 A728 V732 K733 D734	L727-R730 PolarHBondContact O-N 2.96Å; L727-R730 VanDerWaalsContact O-N 3.07Å; A728-R730 VanDerWaalsContact C-N 3.34Å; R730-V732 PolarHBondContact O-N 2.89Å; R730-K733 CarbonylContact O-C 3.6Å; R730-K733 WeakPolarHBondContact O-CA 3.33Å; R730-K733 WeakPolarHBondContact O-CB 3.19Å; R730-K733 PolarHBondContact O-N 3.14Å; R730-D734 VanDerWaalsContact O-CG 3.25Å; R730-D734 PolarHBondContact O-N 3.13Å
731	L	69.7	Low	62.1	Low	56 Å²	56	104.8 Å²	104.8	29%	0.293	57%	0.566	S	S	.	*	H	α-helix	trans	-59.5	-32.2	-178	-65.6	170.1	0	0	0	113.6	L727 L736 L737	L727-L731 HydrophobicContact CG-CD1 4.2Å; L727-L731 PolarHBondContact O-N 2.89Å; L727-L731 VanDerWaalsContact O-N 3.12Å; L731-L736 HydrophobicContact CD2-CD1 4.27Å; L731-L736 PolarHBondContact O-N 3.45Å; L731-L737 HydrophobicContact CB-CB 4.44Å; L731-L737 HydrophobicContact CB-CD1 4.02Å; L731-L737 HydrophobicContact CD1-CD1 4.08Å; L731-L737 PolarHBondContact O-N 2.97Å
732	V	73.4	Confident	64.6	Low	44 Å²	44	98 Å²	98	27%	0.267	54%	0.536	S	S	.	.	H	α-helix	trans	-74.1	-38	172.1	174.4	0	0	0	0	112.3	A728 R730 D734 G735 L737 P739 L742	A728-V732 WeakPolarHBondContact O-CG2 3.34Å; A728-V732 PolarHBondContact O-N 3.09Å; R730-V732 PolarHBondContact O-N 2.89Å; V732-D734 VanDerWaalsContact C-N 3.33Å; V732-G735 PolarHBondContact O-N 3.35Å; V732-L737 WeakPolarHBondContact CA-O 3.26Å; V732-L737 HydrophobicContact CG2-CB 4.4Å; V732-P739 HydrophobicContact CG1-CG 3.91Å; V732-L742 HydrophobicContact CG2-CB 4.38Å; V732-L742 HydrophobicContact CG2-CD2 3.82Å
733	K	68.2	Low	66.7	Low	180 Å²	180	95.7 Å²	95.7	78%	0.783	51%	0.513	S	S	*	.	H	α-helix	trans	-67.4	-35.9	177.4	-169.7	-163.9	172.7	-154.2	0	112	S729 R730 G735	S729-K733 WeakPolarHBondContact O-CB 2.77Å; S729-K733 PolarHBondContact O-N 3.49Å; R730-K733 CarbonylContact O-C 3.6Å; R730-K733 WeakPolarHBondContact O-CA 3.33Å; R730-K733 WeakPolarHBondContact O-CB 3.19Å; R730-K733 PolarHBondContact O-N 3.14Å; K733-G735 PolarHBondContact O-N 3.27Å
734	D	75.2	Confident	68.8	Low	103 Å²	103	95.1 Å²	95.1	55%	0.551	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	6.6	-177.7	-56.7	-25.1	0	0	0	112.3	R730 V732 L736	R730-D734 VanDerWaalsContact O-CG 3.25Å; R730-D734 PolarHBondContact O-N 3.13Å; V732-D734 VanDerWaalsContact C-N 3.33Å; D734-L736 PolarHBondContact O-N 3.07Å
735	G	68.7	Low	70.4	Confident	65 Å²	65	90 Å²	90	67%	0.67	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	0.1	174.1	0	0	0	0	0	115.6	V732 K733 L737	V732-G735 PolarHBondContact O-N 3.35Å; K733-G735 PolarHBondContact O-N 3.27Å; G735-L737 VanDerWaalsContact C-N 3.34Å
736	L	73.4	Confident	72.1	Confident	135 Å²	135	87.5 Å²	87.5	71%	0.707	47%	0.471	S	S	*	.	S	Bend	trans	-77.2	-18.7	-176.9	-63.2	173.3	0	0	0	113.3	L731 D734	L731-L736 HydrophobicContact CD2-CD1 4.27Å; L731-L736 PolarHBondContact O-N 3.45Å; D734-L736 PolarHBondContact O-N 3.07Å
737	L	74.6	Confident	72.3	Confident	36 Å²	36	92.4 Å²	92.4	19%	0.188	48%	0.478	C	S	.	.	S	Bend	trans	-140.3	133.7	177.7	-94.4	161.5	0	0	0	110.4	L731 V732 G735 L741 L745	L731-L737 HydrophobicContact CB-CB 4.44Å; L731-L737 HydrophobicContact CB-CD1 4.02Å; L731-L737 HydrophobicContact CD1-CD1 4.08Å; L731-L737 PolarHBondContact O-N 2.97Å; V732-L737 WeakPolarHBondContact CA-O 3.26Å; V732-L737 HydrophobicContact CG2-CB 4.4Å; G735-L737 VanDerWaalsContact C-N 3.34Å; L737-L741 HydrophobicContact CD2-CB 3.73Å; L737-L741 HydrophobicContact CD2-CD2 3.91Å; L737-L741 HydrophobicContact CD2-CG 4.47Å; L737-L745 HydrophobicContact CD2-CD1 4.06Å
738	T	81.4	Confident	73.2	Confident	75 Å²	75	91.3 Å²	91.3	46%	0.46	47%	0.469	S	S	.	.			trans	-78.5	152.8	170.7	60.9	0	0	0	0	110.8	D740 L741 L742	T738-D740 PolarHBondContact O-N 3.15Å; T738-D740 VanDerWaalsContact O-N 3.12Å; T738-L741 PolarHBondContact O-N 3.41Å; T738-L741 WeakPolarHBondContact OG1-CD1 3.3Å; T738-L741 PolarHBondContact OG1-N 3.3Å; T738-L742 PolarHBondContact O-N 2.87Å; T738-L742 VanDerWaalsContact O-N 3.1Å
739	P	73.7	Confident	73.3	Confident	74 Å²	74	98.8 Å²	98.8	48%	0.481	49%	0.492	S	S	.	.	H	α-helix	trans	-56.3	-29	178	-26	34	0	0	0	114.1	V732 K743	V732-P739 HydrophobicContact CG1-CG 3.91Å; P739-K743 WeakPolarHBondContact O-CG 3.34Å; P739-K743 PolarHBondContact O-N 3.36Å
740	D	73.8	Confident	73.5	Confident	103 Å²	103	99.6 Å²	99.6	55%	0.551	50%	0.498	S	S	*	.	H	α-helix	trans	-84.3	-33.8	-179.5	-62.9	-44.7	0	0	0	113	T738 L742 K743 Q744	T738-D740 PolarHBondContact O-N 3.15Å; T738-D740 VanDerWaalsContact O-N 3.12Å; D740-L742 VanDerWaalsContact C-N 3.27Å; D740-L742 PolarHBondContact O-N 3.34Å; D740-K743 PolarHBondContact O-N 3.21Å; D740-K743 IonicContact OD1-NZ 3.28Å; D740-K743 PolarHBondContact OD1-NZ 3.41Å; D740-Q744 PolarHBondContact O-N 3.22Å
741	L	74.1	Confident	73.4	Confident	93 Å²	93	99.7 Å²	99.7	49%	0.487	50%	0.502	S	S	.	.	H	α-helix	trans	-60.3	-40.2	166.7	-106.1	82	0	0	0	111	L737 T738 K743 Q744 L745	L737-L741 HydrophobicContact CD2-CB 3.73Å; L737-L741 HydrophobicContact CD2-CD2 3.91Å; L737-L741 HydrophobicContact CD2-CG 4.47Å; T738-L741 PolarHBondContact O-N 3.41Å; T738-L741 WeakPolarHBondContact OG1-CD1 3.3Å; T738-L741 PolarHBondContact OG1-N 3.3Å; L741-K743 PolarHBondContact O-N 2.88Å; L741-Q744 PolarHBondContact O-N 3.16Å; L741-Q744 VanDerWaalsContact O-N 3.14Å; L741-L745 PolarHBondContact O-N 2.61Å
742	L	78.4	Confident	72.9	Confident	37 Å²	37	99.8 Å²	99.8	19%	0.194	51%	0.507	C	S	.	.	H	α-helix	trans	-61.8	-42.4	177.6	-178.3	65.9	0	0	0	111.9	A728 V732 T738 D740 Q744 Q746	A728-L742 HydrophobicContact CB-CD1 3.8Å; A728-L742 HydrophobicContact CB-CD2 3.99Å; V732-L742 HydrophobicContact CG2-CB 4.38Å; V732-L742 HydrophobicContact CG2-CD2 3.82Å; T738-L742 PolarHBondContact O-N 2.87Å; T738-L742 VanDerWaalsContact O-N 3.1Å; D740-L742 VanDerWaalsContact C-N 3.27Å; D740-L742 PolarHBondContact O-N 3.34Å; L742-Q744 VanDerWaalsContact C-N 3.31Å; L742-Q744 PolarHBondContact O-N 3.01Å; L742-Q746 WeakPolarHBondContact O-CG 3.23Å; L742-Q746 PolarHBondContact O-N 2.72Å
743	K	74	Confident	72	Confident	102 Å²	102	102.8 Å²	102.8	44%	0.443	52%	0.521	S	S	.	.	H	α-helix	trans	-64.4	-34.9	173.4	-71.1	171.7	-165.8	153.7	0	112.4	P739 D740 L741 R747	P739-K743 WeakPolarHBondContact O-CG 3.34Å; P739-K743 PolarHBondContact O-N 3.36Å; D740-K743 PolarHBondContact O-N 3.21Å; D740-K743 IonicContact OD1-NZ 3.28Å; D740-K743 PolarHBondContact OD1-NZ 3.41Å; L741-K743 PolarHBondContact O-N 2.88Å; K743-R747 VanDerWaalsContact O-CG 3.3Å; K743-R747 WeakPolarHBondContact O-CG 3.48Å; K743-R747 PolarHBondContact O-N 3.12Å; K743-R747 VanDerWaalsContact O-N 3.14Å
744	Q	73.6	Confident	71.2	Confident	107 Å²	107	104.5 Å²	104.5	50%	0.5	52%	0.523	S	S	.	.	H	α-helix	trans	-68.5	-48.4	177.6	-174.2	171.4	-18.5	0	0	111.2	D740 L741 L742 Q746 R747 E748	D740-Q744 PolarHBondContact O-N 3.22Å; L741-Q744 PolarHBondContact O-N 3.16Å; L741-Q744 VanDerWaalsContact O-N 3.14Å; L742-Q744 VanDerWaalsContact C-N 3.31Å; L742-Q744 PolarHBondContact O-N 3.01Å; Q744-Q746 VanDerWaalsContact C-N 3.32Å; Q744-Q746 PolarHBondContact O-N 3.06Å; Q744-R747 WeakPolarHBondContact O-CB 3.26Å; Q744-R747 PolarHBondContact O-N 3.37Å; Q744-E748 WeakPolarHBondContact CG-OE1 3.44Å; Q744-E748 PolarHBondContact NE2-OE1 3.37Å; Q744-E748 VanDerWaalsContact NE2-OE1 3.08Å; Q744-E748 PolarHBondContact O-N 3.49Å
745	L	74.9	Confident	70.1	Confident	83 Å²	83	107.7 Å²	107.7	44%	0.435	53%	0.534	S	S	.	.	H	α-helix	trans	-54.3	-45.5	172.2	-90.1	159.3	0	0	0	112.1	L737 L741 R747 E748 W749	L737-L745 HydrophobicContact CD2-CD1 4.06Å; L741-L745 PolarHBondContact O-N 2.61Å; L745-R747 VanDerWaalsContact C-N 3.31Å; L745-R747 PolarHBondContact O-N 3.47Å; L745-E748 PolarHBondContact O-N 3.37Å; L745-W749 VanDerWaalsContact O-CB 3.32Å; L745-W749 WeakPolarHBondContact O-CB 3.44Å; L745-W749 PolarHBondContact O-N 3.49Å
746	Q	78.1	Confident	69	Low	111 Å²	111	111.8 Å²	111.8	52%	0.519	54%	0.536	S	S	.	.	H	α-helix	trans	-61.2	-36.4	176.2	-76.6	178.2	-20.5	0	0	113	L742 Q744 S750	L742-Q746 WeakPolarHBondContact O-CG 3.23Å; L742-Q746 PolarHBondContact O-N 2.72Å; Q744-Q746 VanDerWaalsContact C-N 3.32Å; Q744-Q746 PolarHBondContact O-N 3.06Å; Q746-S750 VanDerWaalsContact O-CB 3.26Å; Q746-S750 WeakPolarHBondContact O-CB 3.43Å; Q746-S750 PolarHBondContact O-N 3.23Å; Q746-S750 PolarHBondContact O-OG 3.03Å
747	R	72.7	Confident	67.5	Low	180 Å²	180	108.9 Å²	108.9	68%	0.679	54%	0.539	S	S	*	.	H	α-helix	trans	-70.9	-39.1	176.3	-73	167.6	178.4	173.3	-0.4	112.6	K743 Q744 L745 K751	K743-R747 VanDerWaalsContact O-CG 3.3Å; K743-R747 WeakPolarHBondContact O-CG 3.48Å; K743-R747 PolarHBondContact O-N 3.12Å; K743-R747 VanDerWaalsContact O-N 3.14Å; Q744-R747 WeakPolarHBondContact O-CB 3.26Å; Q744-R747 PolarHBondContact O-N 3.37Å; L745-R747 VanDerWaalsContact C-N 3.31Å; L745-R747 PolarHBondContact O-N 3.47Å; R747-K751 PolarHBondContact O-N 3.02Å; R747-K751 VanDerWaalsContact O-N 3.11Å
748	E	77.1	Confident	65.7	Low	103 Å²	103	110.5 Å²	110.5	48%	0.481	56%	0.564	S	S	.	*	H	α-helix	trans	-69.2	-45.3	177.6	-72.5	170	-166.6	0	0	110.8	Q744 L745 S750 K751 S752	Q744-E748 WeakPolarHBondContact CG-OE1 3.44Å; Q744-E748 PolarHBondContact NE2-OE1 3.37Å; Q744-E748 VanDerWaalsContact NE2-OE1 3.08Å; Q744-E748 PolarHBondContact O-N 3.49Å; L745-E748 PolarHBondContact O-N 3.37Å; E748-S750 VanDerWaalsContact C-N 3.32Å; E748-S750 PolarHBondContact O-N 2.77Å; E748-K751 WeakPolarHBondContact O-CB 3.02Å; E748-K751 PolarHBondContact O-N 3.38Å; E748-S752 PolarHBondContact O-N 2.99Å
749	W	70.5	Confident	63.4	Low	184 Å²	184	110.2 Å²	110.2	70%	0.697	58%	0.576	S	S	*	*	H	α-helix	trans	-58.8	-42.3	173.3	-155.8	-79.2	0	0	0	112.2	L745 K751 S752 L753	L745-W749 VanDerWaalsContact O-CB 3.32Å; L745-W749 WeakPolarHBondContact O-CB 3.44Å; L745-W749 PolarHBondContact O-N 3.49Å; W749-K751 VanDerWaalsContact C-N 3.27Å; W749-K751 PolarHBondContact O-N 3.42Å; W749-S752 WeakPolarHBondContact O-CB 3.46Å; W749-S752 PolarHBondContact O-N 2.92Å; W749-L753 HydrophobicContact CG-CD1 4.48Å; W749-L753 WeakPolarHBondContact O-CD1 3.47Å; W749-L753 PolarHBondContact O-N 3.04Å; W749-L753 VanDerWaalsContact O-N 3.16Å
750	S	70.1	Confident	61.6	Low	71 Å²	71	115.9 Å²	115.9	50%	0.497	60%	0.596	S	S	.	*	H	α-helix	trans	-66.8	-23.8	175.5	-60.7	0	0	0	0	113.9	Q746 E748 R754	Q746-S750 VanDerWaalsContact O-CB 3.26Å; Q746-S750 WeakPolarHBondContact O-CB 3.43Å; Q746-S750 PolarHBondContact O-N 3.23Å; Q746-S750 PolarHBondContact O-OG 3.03Å; E748-S750 VanDerWaalsContact C-N 3.32Å; E748-S750 PolarHBondContact O-N 2.77Å; S750-R754 WeakPolarHBondContact O-CG 3.1Å
751	K	66.8	Low	59.7	Low	152 Å²	152	116.1 Å²	116.1	66%	0.661	61%	0.606	S	S	*	*	H	α-helix	trans	-78.6	-39.4	171	-80.1	-179.8	173.6	-177.8	0	111.4	R747 E748 W749 R754 Q755	R747-K751 PolarHBondContact O-N 3.02Å; R747-K751 VanDerWaalsContact O-N 3.11Å; E748-K751 WeakPolarHBondContact O-CB 3.02Å; E748-K751 PolarHBondContact O-N 3.38Å; W749-K751 VanDerWaalsContact C-N 3.27Å; W749-K751 PolarHBondContact O-N 3.42Å; K751-R754 PolarHBondContact O-N 3.44Å; K751-R754 VanDerWaalsContact O-N 3.13Å; K751-Q755 PolarHBondContact O-N 3.23Å
752	S	59.2	Low	57.6	Low	58 Å²	58	119.3 Å²	119.3	41%	0.406	62%	0.622	S	S	.	*	H	α-helix	trans	-57.7	-51.1	177.3	-157.3	0	0	0	0	111.7	E748 W749 R754 Q755 E756	E748-S752 PolarHBondContact O-N 2.99Å; W749-S752 WeakPolarHBondContact O-CB 3.46Å; W749-S752 PolarHBondContact O-N 2.92Å; S752-R754 PolarHBondContact O-N 3.05Å; S752-R754 VanDerWaalsContact O-N 3.11Å; S752-Q755 PolarHBondContact O-N 3.41Å; S752-E756 PolarHBondContact O-N 2.96Å
753	L	53.7	Low	55.2	Low	106 Å²	106	127.6 Å²	127.6	56%	0.555	66%	0.657	S	S	*	*	H	α-helix	trans	-60.2	-25.1	177.4	-90.1	98.1	0	0	0	113.9	W749 G757	W749-L753 HydrophobicContact CG-CD1 4.48Å; W749-L753 WeakPolarHBondContact O-CD1 3.47Å; W749-L753 PolarHBondContact O-N 3.04Å; W749-L753 VanDerWaalsContact O-N 3.16Å; L753-G757 PolarHBondContact O-N 3.17Å
754	R	52	Low	53.1	Low	216 Å²	216	128.8 Å²	128.8	82%	0.815	68%	0.678	S	S	*	*	H	α-helix	trans	-80.7	-17	176.3	-71.8	-179.5	-177.7	-154.6	0.4	113.4	S750 K751 S752	S750-R754 WeakPolarHBondContact O-CG 3.1Å; K751-R754 PolarHBondContact O-N 3.44Å; K751-R754 VanDerWaalsContact O-N 3.13Å; S752-R754 PolarHBondContact O-N 3.05Å; S752-R754 VanDerWaalsContact O-N 3.11Å
755	Q	50.8	Low	51	Low	170 Å²	170	128.1 Å²	128.1	79%	0.794	69%	0.691	S	S	*	*	H	α-helix	trans	-88.5	-33.7	175	-73	-175.2	-39.2	0	0	112.2	K751 S752	K751-Q755 PolarHBondContact O-N 3.23Å; S752-Q755 PolarHBondContact O-N 3.41Å
756	E	46.3	Very low	48.8	Very low	152 Å²	152	133.4 Å²	133.4	71%	0.71	71%	0.714	S	S	*	*	H	α-helix	trans	-77.2	-29.1	179.5	-66.8	178.4	145	0	0	113.3	S752 G758	S752-E756 PolarHBondContact O-N 2.96Å; E756-G758 PolarHBondContact O-N 2.96Å; E756-G758 VanDerWaalsContact O-N 3.11Å
757	G	41.3	Very low	46.5	Very low	74 Å²	74	136.7 Å²	136.7	76%	0.763	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	-1.4	-178.7	0	0	0	0	0	116.7	L753	L753-G757 PolarHBondContact O-N 3.17Å
758	G	36.5	Very low	44.3	Very low	69 Å²	69	134.5 Å²	134.5	71%	0.711	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	-3.1	-178.1	0	0	0	0	0	115.8	E756	E756-G758 PolarHBondContact O-N 2.96Å; E756-G758 VanDerWaalsContact O-N 3.11Å
759	G	34.4	Very low	42	Very low	69 Å²	69	135.9 Å²	135.9	71%	0.711	75%	0.746	S	S	*	*			trans	-91.7	6.9	-161.1	0	0	0	0	0	118.5
760	Q	36.2	Very low	40	Very low	193 Å²	193	137.4 Å²	137.4	90%	0.902	76%	0.758	S	S	*	*	S	Bend	trans	-133.7	79	-173	-70.9	-172.8	-11.6	0	0	114
761	S	32.5	Very low	38.1	Very low	109 Å²	109	138.2 Å²	138.2	76%	0.762	76%	0.763	S	S	*	*	S	Bend	trans	-157.9	6.7	160.5	59.8	0	0	0	0	116.4
762	L	30.2	Very low	36.3	Very low	159 Å²	159	137.4 Å²	137.4	83%	0.832	77%	0.765	S	S	*	*			trans	-132.1	60.8	-175.2	-73.1	171.9	0	0	0	113.3
763	F	28.2	Very low	34.9	Very low	212 Å²	212	144.1 Å²	144.1	93%	0.93	79%	0.787	S	S	*	*			trans	-135.7	57.3	163.5	-101.8	-78.6	0	0	0	110.5
764	S	30.3	Very low	33.7	Very low	126 Å²	126	142.4 Å²	142.4	88%	0.881	80%	0.795	S	S	*	*	S	Bend	trans	-153.5	44.6	174.7	-75.3	0	0	0	0	112.9
765	A	29.1	Very low	32.7	Very low	94 Å²	94	141.6 Å²	141.6	78%	0.777	80%	0.797	S	S	*	*			trans	-172.5	89.7	159.7	0	0	0	0	0	111.3
766	E	28.4	Very low	31.7	Very low	194 Å²	194	143 Å²	143	91%	0.907	80%	0.796	S	S	*	*			trans	-165.6	51.9	149.5	-114.1	168.7	-151.7	0	0	113.4
767	L	31.1	Very low	31.1	Very low	179 Å²	179	143.6 Å²	143.6	94%	0.937	80%	0.796	S	S	*	*			trans	-99.3	71.1	154	-98	168.4	0	0	0	108.7
768	N	26.5	Very low	30.7	Very low	135 Å²	135	146.1 Å²	146.1	72%	0.722	79%	0.792	S	S	*	*			trans	-158.5	136.5	159.6	-126.8	-26	0	0	0	115.5
769	N	27.5	Very low	30.7	Very low	132 Å²	132	152.2 Å²	152.2	71%	0.706	80%	0.798	S	S	*	*			trans	55.2	94.4	159.7	-70.6	-31.9	0	0	0	120.8	S771	N769-S771 PolarHBondContact O-N 2.62Å
770	K	29.1	Very low	31.1	Very low	215 Å²	215	162.4 Å²	162.4	94%	0.935	82%	0.823	S	S	*	*				-52.3	120.8	130	-77.6	175.7	174.1	171.6	0	109.6
771	S	29.3	Very low	30.9	Very low	88 Å²	88	160.9 Å²	160.9	62%	0.615	82%	0.819	S	S	*	*			trans	-151.6	110.1	166.2	-169.8	0	0	0	0	114	N769	N769-S771 PolarHBondContact O-N 2.62Å
772	I	30.7	Very low	30.8	Very low	136 Å²	136	163.6 Å²	163.6	70%	0.697	82%	0.822	S	S	*	*			trans	70.2	113.9	136.2	-62.2	177.5	0	0	0	120.1
773	K	29.7	Very low	30.8	Very low	199 Å²	199	163.9 Å²	163.9	87%	0.865	82%	0.822	S	S	*	*			trans	35.6	116.6	137.4	-49.8	171.4	-170.9	168.7	0	117.2
774	G	28	Very low	31	Very low	70 Å²	70	161.1 Å²	161.1	72%	0.722	82%	0.815	S	S	*	*			cis	113.5	150.8	41.3	0	0	0	0	0	111.9
775	K	30.1	Very low	31	Very low	199 Å²	199	163.3 Å²	163.3	87%	0.865	81%	0.811	S	S	*	*			trans	71	147.8	178.6	-62.2	172.9	179.4	170.2	0	113.9
776	R	30.6	Very low	31.1	Very low	200 Å²	200	167.9 Å²	167.9	76%	0.755	81%	0.814	S	S	*	*			cis	-162.4	142.7	14.2	-137.3	170.2	-176.8	-178.3	0.1	112.3
777	K	33.2	Very low	31.3	Very low	164 Å²	164	166 Å²	166	71%	0.713	81%	0.807	S	S	*	*			trans	63.3	139.4	139.3	-89	-176.2	174.6	-169.2	0	123.6
778	N	32.8	Very low	31.4	Very low	127 Å²	127	165 Å²	165	68%	0.679	80%	0.797	S	S	*	*			trans	75	109.8	143.2	-69.8	8.4	0	0	0	117.9
779	K	36.8	Very low	31.8	Very low	196 Å²	196	167.5 Å²	167.5	85%	0.852	80%	0.803	S	S	*	*				71.5	104.4	81.9	-85.9	-164.7	172.2	-169.7	0	113.6
780	K	43.6	Very low	32.2	Very low	284 Å²	284	170.7 Å²	170.7	100%	1.235	81%	0.812	S	S	*	*				-132.7	0	98.6	-105.7	-178.5	176.6	-179.1	0	109.3

Retrieved 780 of 780 residues in 892.5 ms (Link to these results)

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