A0A3Q0KUB4_SCHMA Loading...

Selenoprotein O AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KUB4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 706 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.8	Very low	26	Very low	242 Å²	242	175.2 Å²	175.2	100%	1.192	86%	0.864	S	S	*	*				0	127.4	0	-85.6	175.3	174.5	0	0	108.2
2	H	31.5	Very low	25.9	Very low	194 Å²	194	174.2 Å²	174.2	90%	0.898	86%	0.862	S	S	*	*			trans	65.8	85.8	-180	-68.7	-9	0	0	0	119.3
3	H	23.1	Very low	25.8	Very low	174 Å²	174	178.2 Å²	178.2	81%	0.806	86%	0.861	S	S	*	*			trans	-59.2	129.9	147.8	-82.6	-78.7	0	0	0	111.7
4	I	27.6	Very low	25.8	Very low	168 Å²	168	180.5 Å²	180.5	86%	0.862	87%	0.865	S	S	*	*			trans	-137.3	117.9	139.3	-61.8	-174.8	0	0	0	107.9
5	T	27.2	Very low	25.9	Very low	112 Å²	112	174.2 Å²	174.2	69%	0.687	86%	0.855	S	S	*	*			trans	-83.1	130.3	-174.2	25.9	0	0	0	0	111.8	R7	T5-R7 PolarHBondContact O-N 3.46Å
6	Y	22.5	Very low	26.1	Very low	241 Å²	241	175.8 Å²	175.8	95%	0.945	85%	0.848	S	S	*	*			trans	-66.7	115.3	162.4	-90.4	-99.2	0	0	0	109.4
7	R	25.5	Very low	26.5	Very low	236 Å²	236	170.8 Å²	170.8	89%	0.891	83%	0.827	S	S	*	*			trans	-112.9	111.5	163.4	-99.4	-174.7	175.4	178.8	-1	109.2	T5 R9	T5-R7 PolarHBondContact O-N 3.46Å; R7-R9 PolarHBondContact O-N 2.89Å
8	A	23.1	Very low	27.1	Very low	107 Å²	107	164.2 Å²	164.2	88%	0.884	80%	0.796	S	S	*	*			trans	-56.9	126.2	166.3	0	0	0	0	0	110.4
9	R	24.2	Very low	27.5	Very low	238 Å²	238	161.2 Å²	161.2	90%	0.898	78%	0.779	S	S	*	*			trans	-119.5	108.5	163.9	-81.7	-174.3	173.3	179.8	-1.2	108.3	R7	R7-R9 PolarHBondContact O-N 2.89Å
10	S	24.8	Very low	27.7	Very low	98 Å²	98	157.3 Å²	157.3	69%	0.685	77%	0.768	S	S	*	*			trans	-63.3	137.1	164.5	163.9	0	0	0	0	110.2
11	P	26.6	Very low	28	Very low	117 Å²	117	152 Å²	152	76%	0.76	75%	0.745	S	S	*	*			trans	-96.3	92	173.9	34.9	-26	0	0	0	110.4	R13	P11-R13 PolarHBondContact O-N 3.25Å
12	I	25	Very low	28.4	Very low	163 Å²	163	144.8 Å²	144.8	84%	0.836	71%	0.705	S	S	*	*			trans	-88.3	89.5	157.5	-62.3	173.6	0	0	0	106.7
13	R	24.7	Very low	28.5	Very low	226 Å²	226	140.6 Å²	140.6	85%	0.853	69%	0.693	S	S	*	*			trans	-127.5	131.3	167.7	-92.8	-175.2	172.3	-179.3	-2.2	107.6	P11	P11-R13 PolarHBondContact O-N 3.25Å
14	K	26.2	Very low	29.1	Very low	211 Å²	211	137.3 Å²	137.3	92%	0.917	68%	0.678	S	S	*	*			trans	95.8	82	166.6	-58.8	-179.8	174.1	-175.2	0	117.3
15	A	27.5	Very low	29.5	Very low	86 Å²	86	136.3 Å²	136.3	71%	0.711	67%	0.668	S	S	*	*			trans	-164.5	96.7	134.5	0	0	0	0	0	106.6
16	R	29	Very low	29.9	Very low	199 Å²	199	137 Å²	137	75%	0.751	66%	0.661	S	S	*	*			trans	-138.9	29.6	176.7	-125.6	-174.7	-169.4	-170.2	2.3	110.1	C20	R16-C20 WeakPolarHBondContact O-CB 3.11Å; R16-C20 PolarHBondContact O-N 3.34Å
17	L	32.4	Very low	30.6	Very low	92 Å²	92	127.5 Å²	127.5	48%	0.482	63%	0.627	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.1	-2	-162.1	-110	142.8	0	0	0	114.4	V21	L17-V21 WeakPolarHBondContact O-CG2 3.48Å
18	L	37.8	Very low	31	Very low	51 Å²	51	117.2 Å²	117.2	27%	0.267	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108.1	-23.3	167.5	-100.8	106.6	0	0	0	115.1	W383 E483 I569	L18-W383 HydrophobicContact CD1-CD2 4.38Å; L18-W383 HydrophobicContact CD1-CH2 4.29Å; L18-W383 HydrophobicContact CD1-CZ2 3.64Å; L18-W383 HydrophobicContact CD2-CE3 4.27Å; L18-W383 HydrophobicContact CD2-CH2 3.26Å; L18-W383 HydrophobicContact CD2-CZ2 3.52Å; L18-W383 HydrophobicContact CD2-CZ3 3.67Å; L18-W383 HydrophobicContact CG-CH2 4.39Å; L18-W383 HydrophobicContact CG-CZ2 4.23Å; L18-E483 HydrophobicContact CB-CG 4.49Å; L18-E483 HydrophobicContact CD1-CG 4.49Å; L18-I569 HydrophobicContact CD1-CD1 4.33Å; L18-I569 HydrophobicContact CD1-CG2 4.37Å; L18-I569 HydrophobicContact CD2-CD1 4.42Å; L18-I569 HydrophobicContact CG-CD1 4.22Å
19	F	34.8	Very low	31.6	Very low	107 Å²	107	116.7 Å²	116.7	47%	0.469	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99	-9.1	-179.8	-76	-78.6	0	0	0	115	A479 E483	F19-A479 HydrophobicContact CE2-CB 4.33Å; F19-A479 HydrophobicContact CZ-CB 3.97Å; F19-E483 WeakPolarHBondContact CD2-OE2 3.13Å
20	C	30.8	Very low	32.2	Very low	83 Å²	83	112.1 Å²	112.1	56%	0.561	56%	0.558	S	S	*	*	S	Bend	trans	-105.5	8.7	172.7	-81.1	0	0	0	0	114.3	R16 Y22	R16-C20 WeakPolarHBondContact O-CB 3.11Å; R16-C20 PolarHBondContact O-N 3.34Å; C20-Y22 VanDerWaalsContact C-N 3.31Å; C20-Y22 PolarHBondContact O-N 3.27Å
21	V	34.5	Very low	32.8	Very low	48 Å²	48	107.6 Å²	107.6	29%	0.291	53%	0.526	S	S	.	.	S	Bend	trans	-72.8	94.5	172.9	-179.2	0	0	0	0	107.4	L17	L17-V21 WeakPolarHBondContact O-CG2 3.48Å
22	Y	38.3	Very low	33.5	Very low	89 Å²	89	103.8 Å²	103.8	35%	0.349	50%	0.498	S	S	.	.			trans	75.4	96.6	175.7	-66.5	-94.9	0	0	0	116.8	C20 Q24 K26 L27 T567	C20-Y22 VanDerWaalsContact C-N 3.31Å; C20-Y22 PolarHBondContact O-N 3.27Å; Y22-Q24 PolarHBondContact O-N 3.14Å; Y22-K26 HydrophobicContact CD1-CB 4.28Å; Y22-L27 HydrophobicContact CG-CD1 4.43Å; Y22-T567 HydrophobicContact CE2-CG2 4.45Å
23	T	32.5	Very low	33.7	Very low	107 Å²	107	102.5 Å²	102.5	66%	0.656	49%	0.492	S	S	*	.			trans	-45.9	122	149.7	37.9	0	0	0	0	109.4	K25 K26	T23-K25 PolarHBondContact O-N 3.43Å; T23-K26 PolarHBondContact O-N 3.07Å; T23-K26 VanDerWaalsContact O-N 3.16Å
24	Q	37	Very low	33.9	Very low	105 Å²	105	96.1 Å²	96.1	49%	0.491	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-38.5	-28	180	-77.4	162.3	-25.9	0	0	114.9	Y22 K26 D449	Y22-Q24 PolarHBondContact O-N 3.14Å; Q24-K26 PolarHBondContact O-N 3.15Å; Q24-D449 PolarHBondContact NE2-O 3.06Å
25	K	34.9	Very low	33.8	Very low	146 Å²	146	91.7 Å²	91.7	64%	0.635	47%	0.474	S	S	*	.	H	α-helix	trans	-63.9	-38.9	-177.5	-137.5	-179.7	179.1	-173.2	0	115.3	T23 E29	T23-K25 PolarHBondContact O-N 3.43Å; K25-E29 VanDerWaalsContact CE-OE1 3.28Å; K25-E29 WeakPolarHBondContact CE-OE1 3.5Å; K25-E29 WeakPolarHBondContact O-CB 3.39Å; K25-E29 VanDerWaalsContact O-CG 3.3Å; K25-E29 WeakPolarHBondContact O-CG 3.11Å; K25-E29 PolarHBondContact O-N 3.14Å
26	K	35.1	Very low	33.8	Very low	128 Å²	128	94.1 Å²	94.1	56%	0.557	47%	0.466	S	S	*	.	H	α-helix	trans	-76.3	-37.1	-170.4	-93.8	-171.2	175.2	-174.9	0	114.3	Y22 T23 Q24 V28 Q30	Y22-K26 HydrophobicContact CD1-CB 4.28Å; T23-K26 PolarHBondContact O-N 3.07Å; T23-K26 VanDerWaalsContact O-N 3.16Å; Q24-K26 PolarHBondContact O-N 3.15Å; K26-V28 VanDerWaalsContact C-N 3.35Å; K26-Q30 PolarHBondContact O-N 2.85Å
27	L	37.7	Very low	33.5	Very low	41 Å²	41	92 Å²	92	22%	0.215	47%	0.468	C	S	.	.	H	α-helix	trans	-68.2	-38.6	-178	-117	142.3	0	0	0	111.1	Y22 C31 W407	Y22-L27 HydrophobicContact CG-CD1 4.43Å; L27-C31 WeakPolarHBondContact O-CB 3.03Å; L27-C31 PolarHBondContact O-N 3.34Å; L27-C31 PolarHBondContact O-SG 3.19Å; L27-W407 HydrophobicContact CD2-CB 3.97Å; L27-W407 HydrophobicContact CD2-CG 4.43Å
28	V	35	Very low	33.1	Very low	20 Å²	20	90.2 Å²	90.2	12%	0.121	47%	0.472	C	S	.	.	H	α-helix	trans	-71.6	-47.9	177.1	169.9	0	0	0	0	111.6	K26 Q30 C31 F32 T445 D449	K26-V28 VanDerWaalsContact C-N 3.35Å; V28-Q30 VanDerWaalsContact C-N 3.26Å; V28-Q30 PolarHBondContact O-N 3.05Å; V28-C31 PolarHBondContact O-N 2.94Å; V28-F32 HydrophobicContact CB-CD2 4.28Å; V28-F32 HydrophobicContact CB-CE2 4.37Å; V28-F32 HydrophobicContact CG1-CD2 3.49Å; V28-F32 VanDerWaalsContact CG1-CD2 3.49Å; V28-F32 HydrophobicContact CG1-CE2 3.79Å; V28-F32 HydrophobicContact CG2-CE2 4.46Å; V28-F32 VanDerWaalsContact O-CD2 3.24Å; V28-F32 WeakPolarHBondContact O-CD2 3.11Å; V28-F32 PolarHBondContact O-N 3.45Å; V28-T445 HydrophobicContact CB-CG2 4.3Å; V28-T445 HydrophobicContact CG1-CG2 3.22Å; V28-T445 HydrophobicContact CG2-CG2 4.18Å; V28-D449 WeakPolarHBondContact CG2-OD1 3.04Å
29	E	34.7	Very low	32.4	Very low	96 Å²	96	94.7 Å²	94.7	45%	0.449	50%	0.495	S	S	.	.	H	α-helix	trans	-61.9	-32.3	-177.5	-78	175.6	177	0	0	113	K25 N33	K25-E29 VanDerWaalsContact CE-OE1 3.28Å; K25-E29 WeakPolarHBondContact CE-OE1 3.5Å; K25-E29 WeakPolarHBondContact O-CB 3.39Å; K25-E29 VanDerWaalsContact O-CG 3.3Å; K25-E29 WeakPolarHBondContact O-CG 3.11Å; K25-E29 PolarHBondContact O-N 3.14Å; E29-N33 PolarHBondContact O-ND2 3.22Å
30	Q	37.5	Very low	32	Very low	142 Å²	142	98.5 Å²	98.5	66%	0.664	51%	0.512	S	S	*	.	H	α-helix	trans	-75.5	-26.6	173	-74.8	-175.2	-22.4	0	0	113	K26 V28	K26-Q30 PolarHBondContact O-N 2.85Å; V28-Q30 VanDerWaalsContact C-N 3.26Å; V28-Q30 PolarHBondContact O-N 3.05Å
31	C	36	Very low	31.5	Very low	2 Å²	2	98.5 Å²	98.5	1%	0.014	51%	0.512	C	S	.	.	H	α-helix	trans	-83.2	-39	-176.4	-70.6	0	0	0	0	113.5	L27 V28 A410 R411 E414	L27-C31 WeakPolarHBondContact O-CB 3.03Å; L27-C31 PolarHBondContact O-N 3.34Å; L27-C31 PolarHBondContact O-SG 3.19Å; V28-C31 PolarHBondContact O-N 2.94Å; C31-A410 HydrophobicContact CB-CB 4.04Å; C31-R411 PolarHBondContact O-NH2 3.22Å; C31-R411 PolarHBondContact SG-NH2 3.17Å; C31-R411 VanDerWaalsContact SG-NH2 3.41Å; C31-E414 VanDerWaalsContact O-OE1 3.05Å
32	F	41.4	Very low	31.1	Very low	38 Å²	38	102.5 Å²	102.5	17%	0.167	53%	0.532	C	S	.	.	S	Bend	trans	-95.6	5.1	-169.1	-66.4	-75.4	0	0	0	115.5	V28 V34 A410 A413 E414 I417 T441 T445 L448	V28-F32 HydrophobicContact CB-CD2 4.28Å; V28-F32 HydrophobicContact CB-CE2 4.37Å; V28-F32 HydrophobicContact CG1-CD2 3.49Å; V28-F32 VanDerWaalsContact CG1-CD2 3.49Å; V28-F32 HydrophobicContact CG1-CE2 3.79Å; V28-F32 HydrophobicContact CG2-CE2 4.46Å; V28-F32 VanDerWaalsContact O-CD2 3.24Å; V28-F32 WeakPolarHBondContact O-CD2 3.11Å; V28-F32 PolarHBondContact O-N 3.45Å; F32-V34 PolarHBondContact O-N 3.33Å; F32-A410 HydrophobicContact CE2-CB 4.43Å; F32-A410 HydrophobicContact CZ-CB 4.26Å; F32-A413 HydrophobicContact CE1-CB 4.22Å; F32-A413 HydrophobicContact CZ-CB 4.22Å; F32-E414 HydrophobicContact CD1-CG 4.39Å; F32-E414 HydrophobicContact CE1-CG 4.34Å; F32-I417 HydrophobicContact CD1-CD1 4.42Å; F32-I417 HydrophobicContact CE1-CD1 3.99Å; F32-T441 HydrophobicContact CB-CG2 3.94Å; F32-T441 HydrophobicContact CD1-CG2 3.69Å; F32-T441 HydrophobicContact CE1-CG2 4.4Å; F32-T441 HydrophobicContact CG-CG2 3.87Å; F32-T445 WeakPolarHBondContact CE2-OG1 3.45Å; F32-L448 HydrophobicContact CE2-CD1 4.34Å; F32-L448 HydrophobicContact CZ-CD1 4.17Å
33	N	30.1	Very low	30.3	Very low	135 Å²	135	103.8 Å²	103.8	72%	0.722	55%	0.55	S	S	*	.			trans	-91.9	66.8	177.4	-84.6	-35.6	0	0	0	112.4	E29	E29-N33 PolarHBondContact O-ND2 3.22Å
34	V	29.2	Very low	29.9	Very low	93 Å²	93	105.6 Å²	105.6	56%	0.564	56%	0.56	S	S	*	*			trans	-136.5	103.1	165.4	-174.5	0	0	0	0	109.4	F32 Y36	F32-V34 PolarHBondContact O-N 3.33Å; V34-Y36 HydrophobicContact CG1-CD2 3.94Å; V34-Y36 HydrophobicContact CG1-CE2 4.21Å
35	S	23.9	Very low	29.3	Very low	117 Å²	117	109.2 Å²	109.2	82%	0.818	58%	0.577	S	S	*	*			trans	-84.3	120.1	178.5	-47	0	0	0	0	110.5
36	Y	27	Very low	28.7	Very low	137 Å²	137	111.4 Å²	111.4	54%	0.537	59%	0.586	S	S	.	*			trans	-128.1	130.8	170.8	-104.7	-91.9	0	0	0	111.4	V34 P286	V34-Y36 HydrophobicContact CG1-CD2 3.94Å; V34-Y36 HydrophobicContact CG1-CE2 4.21Å; Y36-P286 PolarHBondContact OH-O 3.33Å
37	I	23	Very low	28.2	Very low	155 Å²	155	115.4 Å²	115.4	80%	0.795	60%	0.604	S	S	*	*			trans	-125.5	135	178.7	-63.8	175.9	0	0	0	110.2
38	G	24.8	Very low	27.5	Very low	55 Å²	55	118.8 Å²	118.8	57%	0.567	63%	0.626	S	S	*	*			trans	102.9	148.4	160.2	0	0	0	0	0	115.9
39	L	22.6	Very low	27.1	Very low	145 Å²	145	126 Å²	126	76%	0.759	66%	0.658	S	S	*	*			cis	-169.8	162.6	-10.9	-108.9	165.3	0	0	0	107.1
40	F	25.2	Very low	26.6	Very low	187 Å²	187	128.4 Å²	128.4	82%	0.82	67%	0.671	S	S	*	*			trans	108.4	135.7	161.4	-59.5	-71.2	0	0	0	120.8
41	S	21.6	Very low	25.8	Very low	82 Å²	82	129.3 Å²	129.3	57%	0.573	68%	0.68	S	S	*	*			trans	-99.3	153.5	-172.7	62.1	0	0	0	0	112.7
42	N	25.2	Very low	25.4	Very low	132 Å²	132	138.2 Å²	138.2	71%	0.706	72%	0.719	S	S	*	*				179	148.4	115.7	-87	-14	0	0	0	113.8
43	T	21.8	Very low	24.5	Very low	117 Å²	117	143.6 Å²	143.6	72%	0.718	75%	0.749	S	S	*	*			trans	-76	139.3	-166.5	-35.8	0	0	0	0	114.9
44	V	24.1	Very low	24.3	Very low	145 Å²	145	144 Å²	144	88%	0.879	76%	0.756	S	S	*	*			trans	-148.2	141.2	147.8	-175.1	0	0	0	0	111.9
45	H	24	Very low	23.9	Very low	180 Å²	180	145.6 Å²	145.6	83%	0.833	77%	0.771	S	S	*	*			trans	-64.1	148.6	-168.6	-79.5	-68.8	0	0	0	119
46	K	23	Very low	24.1	Very low	193 Å²	193	145.4 Å²	145.4	84%	0.839	77%	0.769	S	S	*	*			trans	-74	143.6	163	-74.9	176.7	174.1	176.1	0	112.4
47	K	25	Very low	24	Very low	212 Å²	212	147 Å²	147	92%	0.922	79%	0.787	S	S	*	*			trans	-144.9	131.1	137.2	-93.7	-172.6	-179.4	179	0	110.1
48	T	22.9	Very low	24.3	Very low	112 Å²	112	145.3 Å²	145.3	69%	0.687	79%	0.788	S	S	*	*			trans	-109.8	139.8	-179.8	-46	0	0	0	0	108.3
49	H	25.7	Very low	24.3	Very low	170 Å²	170	152.3 Å²	152.3	79%	0.787	81%	0.806	S	S	*	*			trans	-157.7	107	149.5	-86.9	-63.8	0	0	0	107.5
50	M	24.7	Very low	24.7	Very low	147 Å²	147	149 Å²	149	72%	0.724	81%	0.807	S	S	*	*				71.4	109	96.9	-80.1	-140.8	-104.4	0	0	114.7
51	L	21.6	Very low	24.8	Very low	162 Å²	162	146 Å²	146	85%	0.848	81%	0.81	S	S	*	*			trans	-71.7	140.9	167.4	-75	152	0	0	0	110.5
52	F	26.1	Very low	25.1	Very low	188 Å²	188	145.9 Å²	145.9	83%	0.825	81%	0.808	S	S	*	*			trans	-130.3	119.8	153.5	-89.8	-80.3	0	0	0	109.6
53	N	22.5	Very low	25.5	Very low	152 Å²	152	145.6 Å²	145.6	81%	0.813	82%	0.815	S	S	*	*			trans	-63.9	135.2	166.2	-77.8	-23.9	0	0	0	110
54	T	25.5	Very low	26	Very low	142 Å²	142	143.9 Å²	143.9	87%	0.871	81%	0.808	S	S	*	*			trans	-137.3	113.3	145	39.7	0	0	0	0	108.5
55	C	22	Very low	27.1	Very low	128 Å²	128	143.1 Å²	143.1	87%	0.865	80%	0.799	S	S	*	*			trans	-80.7	125	171.3	-162.9	0	0	0	0	107.1
56	S	27.5	Very low	29	Very low	113 Å²	113	140.1 Å²	140.1	79%	0.79	79%	0.785	S	S	*	*			trans	-124	113.8	166	52.4	0	0	0	0	108.4
57	L	24.4	Very low	31.6	Very low	171 Å²	171	135.4 Å²	135.4	90%	0.895	76%	0.763	S	S	*	*			trans	-68.7	127.2	167.9	-76.9	148.8	0	0	0	108
58	S	29.5	Very low	34.7	Very low	119 Å²	119	125.4 Å²	125.4	83%	0.832	72%	0.72	S	S	*	*			trans	-142.7	126.2	153.4	57.7	0	0	0	0	109.6
59	E	26.1	Very low	38.1	Very low	202 Å²	202	125.3 Å²	125.3	94%	0.944	71%	0.711	S	S	*	*			trans	-67.2	142.7	175	-63.6	170.6	146.1	0	0	110.2
60	G	29.7	Very low	41.5	Very low	76 Å²	76	118.5 Å²	118.5	78%	0.784	68%	0.68	S	S	*	*			trans	-179.6	79	178.5	0	0	0	0	0	113.2	S62	G60-S62 PolarHBondContact O-N 2.86Å
61	S	28	Very low	44.9	Very low	124 Å²	124	113.9 Å²	113.9	87%	0.867	66%	0.658	S	S	*	*			trans	-44.4	125	166.5	170.6	0	0	0	0	113.9
62	S	28.5	Very low	48.4	Very low	78 Å²	78	107 Å²	107	55%	0.545	62%	0.622	S	S	.	*				-178.6	127.7	127.4	54.6	0	0	0	0	109.9	G60 S64	G60-S62 PolarHBondContact O-N 2.86Å; S62-S64 PolarHBondContact O-N 3.44Å; S62-S64 PolarHBondContact OG-OG 2.66Å
63	C	32.3	Very low	51.7	Low	126 Å²	126	99.7 Å²	99.7	85%	0.851	59%	0.591	S	S	*	*	S	Bend	trans	-72.1	57.7	176.3	-74.7	0	0	0	0	112.2
64	S	32	Very low	55.1	Low	82 Å²	82	92.5 Å²	92.5	57%	0.573	55%	0.553	S	S	*	*	S	Bend	trans	-133.4	20.3	-177.9	62.2	0	0	0	0	115.4	S62	S62-S64 PolarHBondContact O-N 3.44Å; S62-S64 PolarHBondContact OG-OG 2.66Å
65	N	48.2	Very low	58.4	Low	129 Å²	129	86.6 Å²	86.6	69%	0.69	52%	0.516	S	S	*	.			trans	-163.6	43.2	172	-96.5	-25	0	0	0	114.6	Y67	N65-Y67 VanDerWaalsContact C-N 3.32Å; N65-Y67 WeakPolarHBondContact O-CD1 3.22Å; N65-Y67 PolarHBondContact O-N 3.29Å
66	H	63.1	Low	61.9	Low	117 Å²	117	87.8 Å²	87.8	54%	0.542	51%	0.506	S	S	.	.			trans	-83.2	72.9	177.9	-66.9	-24.2	0	0	0	111.9
67	Y	78.4	Confident	65.2	Low	93 Å²	93	85.1 Å²	85.1	37%	0.365	49%	0.488	S	S	.	.			trans	-90.7	150.4	164.1	59.8	-92.3	0	0	0	110.6	N65 Q69 P154	N65-Y67 VanDerWaalsContact C-N 3.32Å; N65-Y67 WeakPolarHBondContact O-CD1 3.22Å; N65-Y67 PolarHBondContact O-N 3.29Å; Y67-Q69 PolarHBondContact O-N 3.33Å; Y67-Q69 PolarHBondContact O-NE2 3.09Å; Y67-P154 HydrophobicContact CE2-CB 4.36Å
68	P	90.7	Very high	68.7	Low	3 Å²	3	77.4 Å²	77.4	2%	0.019	45%	0.447	C	S	.	.			trans	-57.2	135.9	-179.8	-24	33.5	0	0	0	112.5	F70 I121 W153 V186	P68-F70 HydrophobicContact CB-CD2 4.46Å; P68-F70 HydrophobicContact CB-CE2 3.9Å; P68-F70 HydrophobicContact CB-CZ 4.32Å; P68-F70 WeakPolarHBondContact O-CD2 3.44Å; P68-F70 PolarHBondContact O-N 3.25Å; P68-I121 HydrophobicContact CG-CD1 3.84Å; P68-I121 HydrophobicContact CG-CG1 3.93Å; P68-W153 HydrophobicContact CG-CD2 4.3Å; P68-W153 HydrophobicContact CG-CZ2 4.34Å; P68-V186 HydrophobicContact CB-CB 4.33Å; P68-V186 HydrophobicContact CB-CG1 3.74Å; P68-V186 HydrophobicContact CB-CG2 3.58Å
69	Q	94.4	Very high	71.9	Confident	109 Å²	109	73.4 Å²	73.4	51%	0.509	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	103.5	177.9	-63.2	-59.1	-47.9	0	0	110.2	Y67 V186 V187	Y67-Q69 PolarHBondContact O-N 3.33Å; Y67-Q69 PolarHBondContact O-NE2 3.09Å; Q69-V186 CarbonylContact O-C 3.56Å; Q69-V186 WeakPolarHBondContact O-CA 3.3Å; Q69-V187 PolarHBondContact O-N 3.36Å
70	F	96	Very high	75.3	Confident	27 Å²	27	65.6 Å²	65.6	12%	0.118	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	127.9	-179.9	-70.4	-90	0	0	0	112.2	P68 W153 G155 L183 E185 V186	P68-F70 HydrophobicContact CB-CD2 4.46Å; P68-F70 HydrophobicContact CB-CE2 3.9Å; P68-F70 HydrophobicContact CB-CZ 4.32Å; P68-F70 WeakPolarHBondContact O-CD2 3.44Å; P68-F70 PolarHBondContact O-N 3.25Å; F70-W153 HydrophobicContact CD2-CB 4.38Å; F70-W153 HydrophobicContact CE2-CB 3.68Å; F70-W153 HydrophobicContact CE2-CD2 4.44Å; F70-W153 HydrophobicContact CE2-CE3 4.19Å; F70-W153 HydrophobicContact CE2-CG 4.31Å; F70-W153 HydrophobicContact CZ-CE3 4.09Å; F70-G155 WeakPolarHBondContact CB-O 3.14Å; F70-L183 HydrophobicContact CE1-CB 4.14Å; F70-L183 HydrophobicContact CZ-CB 4.32Å; F70-E185 CarbonylContact C-O 3.47Å; F70-E185 VanDerWaalsContact CA-O 3.29Å; F70-E185 WeakPolarHBondContact CA-O 3.34Å; F70-V186 HydrophobicContact CD1-CG2 3.97Å; F70-V186 HydrophobicContact CE1-CG2 3.65Å; F70-V186 HydrophobicContact CE2-CG2 4.33Å; F70-V186 HydrophobicContact CG-CG2 4.46Å; F70-V186 HydrophobicContact CZ-CG2 3.84Å
71	D	96.1	Very high	78.6	Confident	50 Å²	50	63.6 Å²	63.6	27%	0.267	35%	0.354	S	S	.	.			trans	-134	92.3	168.8	172.4	38.5	0	0	0	109.6	I73 K76 E185 V187 R193	D71-I73 VanDerWaalsContact C-N 3.26Å; D71-I73 PolarHBondContact O-N 2.73Å; D71-K76 IonicContact OD1-NZ 2.62Å; D71-K76 PolarHBondContact OD1-NZ 2.96Å; D71-E185 PolarHBondContact N-O 2.87Å; D71-V187 HydrophobicContact CB-CG2 3.96Å; D71-R193 PolarHBondContact O-NH1 3.23Å; D71-R193 IonicContact OD2-CZ 2.76Å; D71-R193 IonicContact OD2-NH1 3.43Å; D71-R193 PolarHBondContact OD2-NH1 3.15Å; D71-R193 IonicContact OD2-NH2 3.88Å; D71-R193 PolarHBondContact OD2-NH2 2.89Å
72	N	95.2	Very high	81.8	Confident	18 Å²	18	62.9 Å²	62.9	10%	0.096	34%	0.34	C	S	.	.			trans	-80.5	65	-170.8	-53.2	-61.3	0	0	0	112.4	Q74 L75 K76 G155 G184 E185	N72-Q74 PolarHBondContact O-N 3.31Å; N72-L75 HydrophobicContact CB-CB 4.27Å; N72-L75 HydrophobicContact CB-CD1 3.82Å; N72-L75 HydrophobicContact CB-CG 3.97Å; N72-L75 PolarHBondContact O-N 3.32Å; N72-L75 VanDerWaalsContact O-N 3.1Å; N72-K76 PolarHBondContact O-N 3Å; N72-G155 PolarHBondContact ND2-O 3.36Å; N72-G155 VanDerWaalsContact ND2-O 3.1Å; N72-G184 WeakPolarHBondContact OD1-CA 3.25Å; N72-E185 WeakPolarHBondContact CA-OE2 3.41Å; N72-E185 PolarHBondContact OD1-N 2.89Å
73	I	95.5	Very high	84.9	Confident	35 Å²	35	60.7 Å²	60.7	18%	0.179	33%	0.33	C	S	.	.	H	α-helix	trans	-57.9	-35.1	-179.4	-164.9	167.9	0	0	0	112.2	D71 L75 K76 S77 E185 Y309	D71-I73 VanDerWaalsContact C-N 3.26Å; D71-I73 PolarHBondContact O-N 2.73Å; I73-L75 PolarHBondContact O-N 3.43Å; I73-K76 WeakPolarHBondContact O-CB 3.36Å; I73-K76 PolarHBondContact O-N 3.17Å; I73-S77 PolarHBondContact O-N 2.62Å; I73-S77 PolarHBondContact O-OG 3.07Å; I73-E185 PolarHBondContact N-OE2 3.23Å; I73-Y309 HydrophobicContact CG2-CE2 4.29Å
74	Q	94.8	Very high	87.8	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-57.6	-37.7	177	75.1	-179.6	3.9	0	0	111.9	N72 K76 S77 L78 F95 E185 E195 Y309	N72-Q74 PolarHBondContact O-N 3.31Å; Q74-K76 VanDerWaalsContact C-N 3.29Å; Q74-K76 PolarHBondContact O-N 2.9Å; Q74-S77 PolarHBondContact O-N 3.29Å; Q74-L78 WeakPolarHBondContact O-CB 3.41Å; Q74-L78 PolarHBondContact O-N 3.35Å; Q74-F95 HydrophobicContact CB-CE2 4.48Å; Q74-F95 HydrophobicContact CG-CE2 4.42Å; Q74-F95 HydrophobicContact CG-CZ 4.47Å; Q74-E185 WeakPolarHBondContact CB-OE2 3.4Å; Q74-E185 HydrophobicContact CG-CG 4.43Å; Q74-E185 WeakPolarHBondContact CG-OE2 3.39Å; Q74-E185 PolarHBondContact N-OE2 3.27Å; Q74-E195 PolarHBondContact NE2-OE1 3.39Å; Q74-Y309 HydrophobicContact CB-CE1 4.3Å; Q74-Y309 HydrophobicContact CB-CE2 4.37Å; Q74-Y309 VanDerWaalsContact CB-OH 3.3Å; Q74-Y309 WeakPolarHBondContact CB-OH 3.36Å
75	L	95	Very high	90.7	Very high	18 Å²	18	56.8 Å²	56.8	9%	0.094	30%	0.3	C	S	.	.	H	α-helix	trans	-79.7	-14.1	-178.8	-50.7	-175.8	0	0	0	112.8	N72 I73 I80 F95 N157 T159	N72-L75 HydrophobicContact CB-CB 4.27Å; N72-L75 HydrophobicContact CB-CD1 3.82Å; N72-L75 HydrophobicContact CB-CG 3.97Å; N72-L75 PolarHBondContact O-N 3.32Å; N72-L75 VanDerWaalsContact O-N 3.1Å; I73-L75 PolarHBondContact O-N 3.43Å; L75-I80 HydrophobicContact CB-CD1 4.31Å; L75-I80 HydrophobicContact CD1-CD1 4.32Å; L75-I80 HydrophobicContact CD2-CD1 3.82Å; L75-I80 HydrophobicContact CG-CD1 4.36Å; L75-F95 HydrophobicContact CD2-CB 4.25Å; L75-F95 HydrophobicContact CD2-CD2 4.28Å; L75-F95 HydrophobicContact CD2-CG 4.22Å; L75-N157 HydrophobicContact CD1-CB 4.05Å; L75-N157 WeakPolarHBondContact CD1-ND2 3.37Å; L75-T159 HydrophobicContact CD1-CG2 3.71Å; L75-T159 HydrophobicContact CD2-CG2 3.7Å; L75-T159 HydrophobicContact CG-CG2 4.38Å
76	K	95.2	Very high	92.8	Very high	153 Å²	153	53.5 Å²	53.5	67%	0.665	29%	0.287	S	S	*	.	H	α-helix	trans	-87.6	-30.4	171.8	-60.2	171.8	-173.9	167.4	0	111.3	D71 N72 I73 Q74	D71-K76 IonicContact OD1-NZ 2.62Å; D71-K76 PolarHBondContact OD1-NZ 2.96Å; N72-K76 PolarHBondContact O-N 3Å; I73-K76 WeakPolarHBondContact O-CB 3.36Å; I73-K76 PolarHBondContact O-N 3.17Å; Q74-K76 VanDerWaalsContact C-N 3.29Å; Q74-K76 PolarHBondContact O-N 2.9Å
77	S	96.4	Very high	94.4	Very high	58 Å²	58	52.3 Å²	52.3	41%	0.406	28%	0.284	S	S	.	.	H	α-helix	trans	-99.1	-24.8	-172.7	-62.6	0	0	0	0	114.7	I73 Q74	I73-S77 PolarHBondContact O-N 2.62Å; I73-S77 PolarHBondContact O-OG 3.07Å; Q74-S77 PolarHBondContact O-N 3.29Å
78	L	97.9	Very high	95.2	Very high	8 Å²	8	50.7 Å²	50.7	4%	0.042	28%	0.277	C	S	.	.	S	Bend	trans	-117.1	148.7	-173.3	-62.5	174.2	0	0	0	112.6	Q74 I80 C94 F95 Q305 L306 Y309	Q74-L78 WeakPolarHBondContact O-CB 3.41Å; Q74-L78 PolarHBondContact O-N 3.35Å; L78-I80 PolarHBondContact O-N 3.47Å; L78-C94 HydrophobicContact CB-CB 4.28Å; L78-F95 HydrophobicContact CB-CD2 4.48Å; L78-F95 HydrophobicContact CB-CE2 4.35Å; L78-F95 HydrophobicContact CD1-CE2 3.74Å; L78-Q305 HydrophobicContact CD2-CB 4.41Å; L78-L306 HydrophobicContact CD1-CD1 3.79Å; L78-L306 HydrophobicContact CD2-CB 4.41Å; L78-L306 HydrophobicContact CD2-CD1 4.37Å; L78-Y309 HydrophobicContact CD1-CD1 3.6Å; L78-Y309 HydrophobicContact CD1-CE1 3.97Å; L78-Y309 HydrophobicContact CD1-CG 3.91Å; L78-Y309 HydrophobicContact CD2-CG 4.12Å; L78-Y309 HydrophobicContact CG-CD1 4.24Å; L78-Y309 HydrophobicContact CG-CD2 4.4Å; L78-Y309 HydrophobicContact CG-CG 4.03Å
79	P	97.3	Very high	95.4	Very high	35 Å²	35	54 Å²	54	23%	0.227	30%	0.3	C	S	.	.			trans	-57.8	131.8	177.6	-27.9	38.1	0	0	0	112.5	N92 C94 F95 I302	P79-N92 WeakPolarHBondContact CB-O 3.19Å; P79-C94 PolarHBondContact O-N 3.08Å; P79-F95 PolarHBondContact O-N 2.88Å; P79-I302 HydrophobicContact CB-CD1 4.21Å; P79-I302 HydrophobicContact CG-CD1 4.18Å; P79-I302 HydrophobicContact CG-CG1 4.08Å
80	I	97.3	Very high	95.6	Very high	39 Å²	39	48.8 Å²	48.8	20%	0.2	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	135	-177.1	-167	173.6	0	0	0	111.1	L75 L78 F95 R97 T159	L75-I80 HydrophobicContact CB-CD1 4.31Å; L75-I80 HydrophobicContact CD1-CD1 4.32Å; L75-I80 HydrophobicContact CD2-CD1 3.82Å; L75-I80 HydrophobicContact CG-CD1 4.36Å; L78-I80 PolarHBondContact O-N 3.47Å; I80-F95 CarbonylContact C-O 3.53Å; I80-F95 WeakPolarHBondContact CA-O 3.45Å; I80-F95 HydrophobicContact CG1-CB 4.26Å; I80-R97 HydrophobicContact CD1-CG 3.58Å; I80-R97 HydrophobicContact CG1-CG 4.22Å; I80-T159 HydrophobicContact CD1-CG2 4.04Å
81	D	98	Very high	95.6	Very high	34 Å²	34	50.7 Å²	50.7	18%	0.182	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	144.2	175.5	169.1	54.8	0	0	0	111.4	G83 R88 V90 A93 F95 T96 R97	D81-G83 PolarHBondContact OD1-N 3.37Å; D81-G83 PolarHBondContact OD2-N 3.07Å; D81-R88 IonicContact OD1-NH1 2.82Å; D81-R88 IonicContact OD2-CZ 2.82Å; D81-R88 IonicContact OD2-NH1 3.59Å; D81-R88 PolarHBondContact OD2-NH1 3.43Å; D81-R88 IonicContact OD2-NH2 3.29Å; D81-R88 PolarHBondContact OD2-NH2 3.1Å; D81-V90 HydrophobicContact CB-CG1 3.68Å; D81-A93 HydrophobicContact CB-CB 3.64Å; D81-F95 PolarHBondContact N-O 3.11Å; D81-T96 WeakPolarHBondContact O-CA 3.5Å; D81-T96 PolarHBondContact OD2-OG1 3.04Å; D81-R97 PolarHBondContact O-N 3.29Å
82	N	96.1	Very high	95.7	Very high	108 Å²	108	52.4 Å²	52.4	58%	0.578	30%	0.3	S	S	*	.			trans	-120.5	15	-180	-65.5	-59.3	0	0	0	112.5	R97	N82-R97 VanDerWaalsContact OD1-CD 3.28Å; N82-R97 WeakPolarHBondContact OD1-CD 3.36Å; N82-R97 PolarHBondContact OD1-NH1 3.3Å
83	G	94	Very high	95.8	Very high	32 Å²	32	51.7 Å²	51.7	33%	0.33	30%	0.296	S	S	.	.			trans	-64.8	-178.2	176.8	0	0	0	0	0	113	D81 R88	D81-G83 PolarHBondContact OD1-N 3.37Å; D81-G83 PolarHBondContact OD2-N 3.07Å; G83-R88 PolarHBondContact O-NH2 3.05Å
84	S	93.2	Very high	95.9	Very high	67 Å²	67	50 Å²	50	47%	0.469	29%	0.288	S	S	.	.			trans	-60.3	152.6	-179.6	55.8	0	0	0	0	113	S86 R88	S84-S86 PolarHBondContact O-N 3.25Å; S84-S86 VanDerWaalsContact O-N 3.08Å; S84-S86 PolarHBondContact OG-OG 2.76Å; S84-R88 PolarHBondContact O-NE 3.19Å; S84-R88 PolarHBondContact O-NH2 3.37Å
85	N	92	Very high	96.1	Very high	59 Å²	59	50.1 Å²	50.1	32%	0.316	29%	0.289	S	S	.	.	S	Bend	trans	-75.5	19.2	171	-161.2	22.9	0	0	0	113.3	V98 S99 L203	N85-V98 WeakPolarHBondContact OD1-CB 3.37Å; N85-V98 VanDerWaalsContact OD1-CG1 3.25Å; N85-V98 WeakPolarHBondContact OD1-CG1 3.27Å; N85-S99 PolarHBondContact ND2-O 2.76Å; N85-L203 PolarHBondContact ND2-O 3.45Å; N85-L203 PolarHBondContact OD1-O 2.9Å
86	S	92.9	Very high	96.2	Very high	61 Å²	61	49.3 Å²	49.3	43%	0.427	28%	0.284	S	S	.	.	S	Bend	trans	-88.9	152.6	176.5	61.9	0	0	0	0	110.5	S84 R88 P205	S84-S86 PolarHBondContact O-N 3.25Å; S84-S86 VanDerWaalsContact O-N 3.08Å; S84-S86 PolarHBondContact OG-OG 2.76Å; S86-R88 WeakPolarHBondContact O-CG 3.43Å; S86-R88 PolarHBondContact O-N 3.14Å; S86-P205 WeakPolarHBondContact O-CA 3.46Å
87	I	95.6	Very high	96.3	Very high	92 Å²	92	46.4 Å²	46.4	47%	0.472	27%	0.269	S	S	.	.	S	Bend	trans	-55.7	122.8	175	-65	153.4	0	0	0	110.1	R208	I87-R208 VanDerWaalsContact CD1-O 3.28Å; I87-R208 WeakPolarHBondContact CD1-O 3.08Å
88	R	96	Very high	96.4	Very high	59 Å²	59	44 Å²	44	22%	0.223	25%	0.252	C	S	.	.			trans	-167.8	168.4	-179.2	63.6	-174.5	167.8	78.9	8	112.4	D81 G83 S84 S86 T96 Q174 P205	D81-R88 IonicContact OD1-NH1 2.82Å; D81-R88 IonicContact OD2-CZ 2.82Å; D81-R88 IonicContact OD2-NH1 3.59Å; D81-R88 PolarHBondContact OD2-NH1 3.43Å; D81-R88 IonicContact OD2-NH2 3.29Å; D81-R88 PolarHBondContact OD2-NH2 3.1Å; G83-R88 PolarHBondContact O-NH2 3.05Å; S84-R88 PolarHBondContact O-NE 3.19Å; S84-R88 PolarHBondContact O-NH2 3.37Å; S86-R88 WeakPolarHBondContact O-CG 3.43Å; S86-R88 PolarHBondContact O-N 3.14Å; R88-T96 PolarHBondContact NH2-OG1 3.1Å; R88-Q174 PolarHBondContact O-NE2 2.99Å; R88-Q174 VanDerWaalsContact O-NE2 3.1Å; R88-P205 HydrophobicContact CG-CB 4.1Å; R88-P205 PolarHBondContact N-O 3.1Å; R88-P205 VanDerWaalsContact N-O 3.14Å; R88-P205 VanDerWaalsContact O-O 3.13Å
89	S	95.5	Very high	96.2	Very high	72 Å²	72	47.2 Å²	47.2	50%	0.503	28%	0.275	S	S	.	.			trans	-70.3	142.8	165.2	-170.5	0	0	0	0	110.9	P91	S89-P91 WeakPolarHBondContact O-CD 3.36Å
90	V	97.4	Very high	96.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.27	C	S	.	.			trans	-122.1	81.2	179.2	-175.1	0	0	0	0	108.8	D81 A93 P205 F206	D81-V90 HydrophobicContact CB-CG1 3.68Å; V90-A93 HydrophobicContact CG1-CB 4.07Å; V90-P205 HydrophobicContact CG2-CB 3.76Å; V90-F206 HydrophobicContact CB-CE1 3.87Å; V90-F206 HydrophobicContact CB-CZ 4.11Å; V90-F206 HydrophobicContact CG1-CZ 4.44Å; V90-F206 HydrophobicContact CG2-CD1 4.49Å; V90-F206 HydrophobicContact CG2-CE1 3.51Å; V90-F206 HydrophobicContact CG2-CZ 3.74Å
91	P	96.8	Very high	96.2	Very high	66 Å²	66	47.5 Å²	47.5	43%	0.429	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	149.7	179.6	32.3	-35.9	0	0	0	111.5	S89 A93 P295	S89-P91 WeakPolarHBondContact O-CD 3.36Å; P91-A93 PolarHBondContact O-N 3.35Å; P91-P295 WeakPolarHBondContact CA-O 3.39Å; P91-P295 WeakPolarHBondContact CB-O 3.49Å
92	N	97.1	Very high	96.2	Very high	86 Å²	86	52.8 Å²	52.8	46%	0.46	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	23	171	-55.7	-54.2	0	0	0	115.8	P79 S296 N299	P79-N92 WeakPolarHBondContact CB-O 3.19Å; N92-S296 WeakPolarHBondContact CA-OG 3.31Å; N92-S296 PolarHBondContact N-OG 3.43Å; N92-N299 WeakPolarHBondContact OD1-CB 3.41Å; N92-N299 PolarHBondContact OD1-ND2 2.99Å
93	A	97.8	Very high	96.2	Very high	3 Å²	3	47.9 Å²	47.9	3%	0.025	27%	0.273	C	S	.	.			trans	-136.9	144.2	174.8	0	0	0	0	0	112.2	D81 V90 P91	D81-A93 HydrophobicContact CB-CB 3.64Å; V90-A93 HydrophobicContact CG1-CB 4.07Å; P91-A93 PolarHBondContact O-N 3.35Å
94	C	98.1	Very high	96.4	Very high	1 Å²	1	51 Å²	51	1%	0.007	28%	0.283	C	S	.	.	S	Bend	trans	-81.9	-32	171.6	-63.7	0	0	0	0	110.7	L78 P79 H161 C162	L78-C94 HydrophobicContact CB-CB 4.28Å; P79-C94 PolarHBondContact O-N 3.08Å; C94-H161 PolarHBondContact O-CD2 3.27Å; C94-C162 WeakPolarHBondContact O-CB 3.14Å; C94-C162 PolarHBondContact O-N 2.99Å
95	F	98.2	Very high	96.6	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.009	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	156	-178	-59.1	-85.2	0	0	0	110.8	Q74 L75 L78 P79 I80 D81 A160 H161	Q74-F95 HydrophobicContact CB-CE2 4.48Å; Q74-F95 HydrophobicContact CG-CE2 4.42Å; Q74-F95 HydrophobicContact CG-CZ 4.47Å; L75-F95 HydrophobicContact CD2-CB 4.25Å; L75-F95 HydrophobicContact CD2-CD2 4.28Å; L75-F95 HydrophobicContact CD2-CG 4.22Å; L78-F95 HydrophobicContact CB-CD2 4.48Å; L78-F95 HydrophobicContact CB-CE2 4.35Å; L78-F95 HydrophobicContact CD1-CE2 3.74Å; P79-F95 PolarHBondContact O-N 2.88Å; I80-F95 CarbonylContact C-O 3.53Å; I80-F95 WeakPolarHBondContact CA-O 3.45Å; I80-F95 HydrophobicContact CG1-CB 4.26Å; D81-F95 PolarHBondContact N-O 3.11Å; F95-A160 WeakPolarHBondContact CA-O 3.5Å; F95-H161 HydrophobicContact CD1-CB 3.98Å; F95-H161 HydrophobicContact CE1-CB 3.84Å; F95-H161 AromaticContact CE1-CD2 3.95Å; F95-H161 AromaticContact CE1-CG 3.66Å; F95-H161 AromaticContact CE1-ND1 3.95Å
96	T	98.1	Very high	96.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	137.1	168.8	-170.1	0	0	0	0	109.3	D81 R88 V98 T159 A160 P205 F206	D81-T96 WeakPolarHBondContact O-CA 3.5Å; D81-T96 PolarHBondContact OD2-OG1 3.04Å; R88-T96 PolarHBondContact NH2-OG1 3.1Å; T96-V98 HydrophobicContact CG2-CG1 3.82Å; T96-V98 PolarHBondContact O-N 3.22Å; T96-T159 CarbonylContact O-C 3.46Å; T96-T159 VanDerWaalsContact O-CA 3.23Å; T96-T159 WeakPolarHBondContact O-CA 3.38Å; T96-T159 WeakPolarHBondContact O-CB 3.08Å; T96-A160 HydrophobicContact CG2-CB 4.1Å; T96-A160 PolarHBondContact N-O 3.02Å; T96-A160 PolarHBondContact O-N 3.13Å; T96-P205 HydrophobicContact CG2-CB 4.34Å; T96-P205 HydrophobicContact CG2-CG 3.71Å; T96-F206 HydrophobicContact CG2-CD2 4.49Å; T96-F206 HydrophobicContact CG2-CE2 3.49Å; T96-F206 VanDerWaalsContact CG2-CE2 3.49Å; T96-F206 HydrophobicContact CG2-CZ 3.71Å
97	R	97.6	Very high	96.9	Very high	92 Å²	92	52.1 Å²	52.1	35%	0.347	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	129.6	173.7	-71.7	-168.1	172.9	86.7	-1	109.2	I80 D81 N82 N157 T159	I80-R97 HydrophobicContact CD1-CG 3.58Å; I80-R97 HydrophobicContact CG1-CG 4.22Å; D81-R97 PolarHBondContact O-N 3.29Å; N82-R97 VanDerWaalsContact OD1-CD 3.28Å; N82-R97 WeakPolarHBondContact OD1-CD 3.36Å; N82-R97 PolarHBondContact OD1-NH1 3.3Å; R97-N157 PolarHBondContact NE-OD1 3.19Å; R97-T159 HydrophobicContact CG-CG2 4.36Å
98	V	97.5	Very high	96.9	Very high	7 Å²	7	50 Å²	50	4%	0.042	26%	0.262	C	S	.	.			trans	-136.3	172.5	179.8	-60.5	0	0	0	0	109.7	N85 T96 P158 A160 I181 P205	N85-V98 WeakPolarHBondContact OD1-CB 3.37Å; N85-V98 VanDerWaalsContact OD1-CG1 3.25Å; N85-V98 WeakPolarHBondContact OD1-CG1 3.27Å; T96-V98 HydrophobicContact CG2-CG1 3.82Å; T96-V98 PolarHBondContact O-N 3.22Å; V98-P158 PolarHBondContact N-O 3.27Å; V98-P158 WeakPolarHBondContact O-CB 3.5Å; V98-P158 VanDerWaalsContact O-O 3.11Å; V98-A160 HydrophobicContact CG1-CB 4.03Å; V98-A160 HydrophobicContact CG2-CB 4.02Å; V98-I181 HydrophobicContact CG2-CB 4.31Å; V98-I181 HydrophobicContact CG2-CD1 3.93Å; V98-I181 HydrophobicContact CG2-CG1 3.81Å; V98-I181 HydrophobicContact CG2-CG2 3.68Å; V98-P205 HydrophobicContact CG1-CG 4.46Å
99	S	95	Very high	96.8	Very high	76 Å²	76	47.6 Å²	47.6	53%	0.531	25%	0.254	S	S	.	.			trans	-127.4	135.6	172.7	-64.2	0	0	0	0	109.6	N85	N85-S99 PolarHBondContact ND2-O 2.76Å
100	P	97.1	Very high	96.9	Very high	19 Å²	19	44.2 Å²	44.2	12%	0.123	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-55.9	142.3	171.3	-25.3	35.3	0	0	0	111.9	L152 I181 L183 A201	P100-L152 HydrophobicContact CG-CD2 4.17Å; P100-I181 HydrophobicContact CB-CD1 4.43Å; P100-I181 HydrophobicContact CG-CD1 4.39Å; P100-I181 HydrophobicContact CG-CG2 4.14Å; P100-L183 HydrophobicContact CG-CD2 4.16Å; P100-A201 CarbonylContact C-O 3.48Å; P100-A201 WeakPolarHBondContact CA-O 3.48Å; P100-A201 HydrophobicContact CB-CB 4.38Å
101	T	96.7	Very high	96.8	Very high	61 Å²	61	44.3 Å²	44.3	37%	0.374	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-92.8	121.6	171.5	-50.6	0	0	0	0	108.3	A201 R213	T101-A201 PolarHBondContact N-O 3.04Å; T101-R213 VanDerWaalsContact CG2-NH2 3.25Å; T101-R213 PolarHBondContact O-NH1 3.08Å; T101-R213 PolarHBondContact O-NH2 2.68Å
102	K	97.2	Very high	96.7	Very high	146 Å²	146	41.1 Å²	41.1	64%	0.635	21%	0.21	S	C	*	.	P	Polyproline II helix	trans	-56.2	154	-178.3	-61.6	-167	176	-175.5	0	112.4	N150 R213	K102-N150 VanDerWaalsContact CA-OD1 3.25Å; K102-N150 WeakPolarHBondContact CA-OD1 3.34Å; K102-N150 WeakPolarHBondContact CB-OD1 3.41Å; K102-N150 WeakPolarHBondContact CE-O 3.34Å; K102-R213 PolarHBondContact O-NH2 3.29Å
103	I	97.4	Very high	96.6	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.021	21%	0.205	C	C	.	.			trans	-120.4	153	170.8	59.5	171	0	0	0	110.1	P106 N150 I243 T247 I266	I103-P106 HydrophobicContact CD1-CB 3.98Å; I103-P106 HydrophobicContact CG1-CB 4.18Å; I103-N150 PolarHBondContact N-OD1 2.9Å; I103-N150 PolarHBondContact O-ND2 2.86Å; I103-N150 PolarHBondContact O-OD1 2.87Å; I103-I243 HydrophobicContact CD1-CG2 4.27Å; I103-T247 WeakPolarHBondContact CA-OG1 3.34Å; I103-I266 HydrophobicContact CD1-CD1 3.78Å; I103-I266 HydrophobicContact CD1-CG1 4.21Å; I103-I266 HydrophobicContact CG1-CD1 4.34Å; I103-I266 HydrophobicContact CG2-CD1 4.24Å
104	D	97.8	Very high	96.5	Very high	99 Å²	99	43 Å²	43	53%	0.529	22%	0.222	S	C	.	.	S	Bend	trans	-84.8	129.8	-175.1	-53.6	-54.7	0	0	0	110.7	S245 D246 T247	D104-S245 VanDerWaalsContact O-CB 3.26Å; D104-S245 WeakPolarHBondContact O-CB 3.33Å; D104-D246 HydrophobicContact CB-CB 4.33Å; D104-D246 PolarHBondContact O-N 3.07Å; D104-T247 PolarHBondContact N-OG1 2.61Å; D104-T247 PolarHBondContact OD2-OG1 2.88Å
105	N	96.2	Very high	96.4	Very high	105 Å²	105	42.9 Å²	42.9	56%	0.561	22%	0.222	S	C	*	.	S	Bend	trans	47	62.6	176.2	-56.1	-34.3	0	0	0	113.5	R107 D246	N105-R107 PolarHBondContact O-N 2.97Å; N105-D246 HydrophobicContact CB-CB 4.42Å; N105-D246 VanDerWaalsContact CB-OD2 3.27Å; N105-D246 WeakPolarHBondContact CB-OD2 3.35Å; N105-D246 PolarHBondContact ND2-OD2 2.67Å
106	P	96.6	Very high	96.3	Very high	14 Å²	14	42.9 Å²	42.9	9%	0.091	22%	0.222	C	C	.	.			trans	-62.4	136.9	-179.4	30.5	-37.6	0	0	0	110.8	I103 V144 E145 I243 T244	I103-P106 HydrophobicContact CD1-CB 3.98Å; I103-P106 HydrophobicContact CG1-CB 4.18Å; P106-V144 HydrophobicContact CB-CG1 3.64Å; P106-V144 HydrophobicContact CG-CG1 3.97Å; P106-E145 WeakPolarHBondContact CG-OE1 3.28Å; P106-I243 HydrophobicContact CB-CG2 3.66Å; P106-T244 CarbonylContact C-O 3.58Å; P106-T244 WeakPolarHBondContact CA-O 3.48Å
107	R	94.8	Very high	96.1	Very high	90 Å²	90	45.3 Å²	45.3	34%	0.34	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	136.8	-179.4	-68.6	178.4	-64.3	-107.7	-5.1	110.7	N105 I243 T244 D246	N105-R107 PolarHBondContact O-N 2.97Å; R107-I243 CarbonylContact O-C 3.48Å; R107-I243 WeakPolarHBondContact O-CA 3.27Å; R107-T244 HydrophobicContact CB-CG2 4.33Å; R107-T244 PolarHBondContact N-O 3.03Å; R107-T244 PolarHBondContact O-N 2.82Å; R107-D246 IonicContact CZ-OD1 2.8Å; R107-D246 VanDerWaalsContact CZ-OD1 3.3Å; R107-D246 IonicContact CZ-OD2 3.2Å; R107-D246 VanDerWaalsContact NH1-CG 3.35Å; R107-D246 IonicContact NH1-OD1 3.22Å; R107-D246 PolarHBondContact NH1-OD1 3.07Å; R107-D246 IonicContact NH1-OD2 2.73Å; R107-D246 PolarHBondContact NH1-OD2 2.93Å; R107-D246 IonicContact NH2-OD1 3.7Å; R107-D246 PolarHBondContact NH2-OD1 3.42Å; R107-D246 IonicContact NH2-OD2 3.66Å
108	L	95.1	Very high	96	Very high	48 Å²	48	42.4 Å²	42.4	25%	0.251	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	136	176.1	-179.2	63.5	0	0	0	111.3	L110 F111 T140 V144 Y657	L108-L110 WeakPolarHBondContact CD1-O 3.29Å; L108-F111 HydrophobicContact CD1-CD1 3.5Å; L108-F111 HydrophobicContact CD1-CD2 3.8Å; L108-F111 HydrophobicContact CD1-CE1 3.38Å; L108-F111 HydrophobicContact CD1-CE2 3.74Å; L108-F111 HydrophobicContact CD1-CG 3.7Å; L108-F111 HydrophobicContact CD1-CZ 3.51Å; L108-F111 HydrophobicContact CD2-CD2 3.42Å; L108-F111 VanDerWaalsContact CD2-CD2 3.42Å; L108-F111 HydrophobicContact CD2-CE2 3.39Å; L108-F111 HydrophobicContact CD2-CG 4.1Å; L108-F111 HydrophobicContact CD2-CZ 4Å; L108-F111 HydrophobicContact CG-CD2 4.25Å; L108-F111 HydrophobicContact CG-CE2 4.17Å; L108-F111 HydrophobicContact CG-CZ 4.32Å; L108-T140 HydrophobicContact CD2-CG2 3.92Å; L108-V144 HydrophobicContact CB-CG2 3.89Å; L108-Y657 WeakPolarHBondContact O-CE2 3.43Å
109	V	95.8	Very high	95.9	Very high	8 Å²	8	42.1 Å²	42.1	5%	0.048	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-58.2	165.9	-177.6	0	0	0	0	109.4	L216 I242 T244 Y657	V109-L216 HydrophobicContact CG1-CD1 4.18Å; V109-L216 HydrophobicContact CG2-CD1 3.84Å; V109-I242 HydrophobicContact CB-CB 4.05Å; V109-I242 HydrophobicContact CB-CG2 3.97Å; V109-I242 WeakPolarHBondContact CB-O 3.37Å; V109-I242 HydrophobicContact CG1-CG2 4.5Å; V109-I242 HydrophobicContact CG2-CG2 3.99Å; V109-I242 PolarHBondContact N-O 3.43Å; V109-T244 HydrophobicContact CG2-CG2 3.86Å; V109-Y657 HydrophobicContact CG1-CD1 3.71Å; V109-Y657 HydrophobicContact CG1-CD2 4.46Å; V109-Y657 HydrophobicContact CG1-CE1 4.02Å; V109-Y657 HydrophobicContact CG1-CG 3.97Å; V109-Y657 HydrophobicContact CG2-CE1 4.17Å; V109-Y657 HydrophobicContact CG2-CE2 4.36Å
110	L	95.9	Very high	95.8	Very high	1 Å²	1	40 Å²	40	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	151.4	178.9	-69.5	176.6	0	0	0	111.4	L108 L220 F223 L224 S241 I242 A660 Q661 F664	L108-L110 WeakPolarHBondContact CD1-O 3.29Å; L110-L220 HydrophobicContact CD1-CD1 3.81Å; L110-F223 HydrophobicContact CB-CE1 3.92Å; L110-F223 HydrophobicContact CB-CE2 4.49Å; L110-F223 HydrophobicContact CB-CZ 3.92Å; L110-F223 HydrophobicContact CD1-CD1 4.07Å; L110-F223 HydrophobicContact CD1-CE1 3.83Å; L110-L224 HydrophobicContact CD1-CD2 4.46Å; L110-S241 WeakPolarHBondContact O-CA 3.41Å; L110-I242 HydrophobicContact CB-CD1 4.44Å; L110-I242 HydrophobicContact CD1-CD1 4.5Å; L110-I242 PolarHBondContact N-O 2.81Å; L110-I242 PolarHBondContact O-N 3.05Å; L110-A660 HydrophobicContact CD1-CB 4.03Å; L110-Q661 HydrophobicContact CD2-CB 3.84Å; L110-Q661 HydrophobicContact CD2-CG 4.38Å; L110-F664 HydrophobicContact CD1-CB 4.37Å
111	F	95.5	Very high	95.4	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.009	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	146.3	166.2	-79.6	-38.1	0	0	0	110.1	L108 L116 H123 I125 T140 L143 V144 L147 A240 S241	L108-F111 HydrophobicContact CD1-CD1 3.5Å; L108-F111 HydrophobicContact CD1-CD2 3.8Å; L108-F111 HydrophobicContact CD1-CE1 3.38Å; L108-F111 HydrophobicContact CD1-CE2 3.74Å; L108-F111 HydrophobicContact CD1-CG 3.7Å; L108-F111 HydrophobicContact CD1-CZ 3.51Å; L108-F111 HydrophobicContact CD2-CD2 3.42Å; L108-F111 VanDerWaalsContact CD2-CD2 3.42Å; L108-F111 HydrophobicContact CD2-CE2 3.39Å; L108-F111 HydrophobicContact CD2-CG 4.1Å; L108-F111 HydrophobicContact CD2-CZ 4Å; L108-F111 HydrophobicContact CG-CD2 4.25Å; L108-F111 HydrophobicContact CG-CE2 4.17Å; L108-F111 HydrophobicContact CG-CZ 4.32Å; F111-L116 HydrophobicContact CB-CD1 3.96Å; F111-L116 HydrophobicContact CD1-CD1 3.89Å; F111-L116 HydrophobicContact CD2-CD1 4.4Å; F111-L116 HydrophobicContact CG-CD1 3.86Å; F111-H123 AromaticContact CD2-CD2 3.4Å; F111-H123 VanDerWaalsContact CD2-CD2 3.4Å; F111-H123 WeakPolarHBondContact CD2-CD2 3.46Å; F111-H123 AromaticContact CD2-NE2 3.9Å; F111-H123 AromaticContact CE2-CD2 3.56Å; F111-H123 AromaticContact CE2-NE2 3.75Å; F111-I125 HydrophobicContact CB-CD1 3.73Å; F111-I125 HydrophobicContact CD2-CD1 4.34Å; F111-T140 HydrophobicContact CE2-CG2 4.19Å; F111-L143 HydrophobicContact CE1-CD2 4.31Å; F111-L143 HydrophobicContact CE2-CD2 4.06Å; F111-L143 HydrophobicContact CZ-CD2 3.71Å; F111-L143 HydrophobicContact CZ-CG 4.05Å; F111-V144 HydrophobicContact CZ-CG2 4.31Å; F111-L147 HydrophobicContact CD1-CD1 4.49Å; F111-L147 HydrophobicContact CE1-CD1 3.64Å; F111-L147 HydrophobicContact CZ-CD1 4.3Å; F111-A240 WeakPolarHBondContact CA-O 3.37Å; F111-S241 VanDerWaalsContact CE1-CB 3.43Å
112	S	96.2	Very high	94.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.231	C	C	.	.			trans	-103.1	108.5	163.5	171.9	0	0	0	0	108.6	D114 A115 L116 E227 A239 A240	S112-D114 VanDerWaalsContact C-N 3.28Å; S112-D114 PolarHBondContact O-N 3.39Å; S112-A115 PolarHBondContact O-N 3.38Å; S112-A115 PolarHBondContact OG-N 2.89Å; S112-L116 WeakPolarHBondContact O-CG 3.31Å; S112-L116 PolarHBondContact O-N 3.42Å; S112-E227 WeakPolarHBondContact CB-OE2 3.22Å; S112-E227 PolarHBondContact OG-OE2 3.06Å; S112-A239 WeakPolarHBondContact CB-O 3.29Å; S112-A240 PolarHBondContact N-O 2.81Å
113	P	93.8	Very high	92.7	Very high	56 Å²	56	37.1 Å²	37.1	36%	0.364	21%	0.209	S	C	.	.	H	α-helix	trans	-56.8	-42.5	178.9	-26.2	35.4	0	0	0	112.4	A115 L116 A117 I125	P113-A115 PolarHBondContact O-N 3.4Å; P113-L116 PolarHBondContact O-N 2.84Å; P113-A117 WeakPolarHBondContact O-CB 3.36Å; P113-A117 PolarHBondContact O-N 3.48Å; P113-I125 HydrophobicContact CG-CD1 4.09Å
114	D	95.5	Very high	90.7	Very high	71 Å²	71	45.5 Å²	45.5	38%	0.38	25%	0.245	S	C	.	.	H	α-helix	trans	-65.6	-39.2	-179.4	-74.6	8	0	0	0	112.1	S112 A117 L118 Y231	S112-D114 VanDerWaalsContact C-N 3.28Å; S112-D114 PolarHBondContact O-N 3.39Å; D114-A117 PolarHBondContact O-N 3.31Å; D114-L118 PolarHBondContact O-N 2.63Å; D114-Y231 PolarHBondContact OD2-OH 3.36Å
115	A	96.9	Very high	88.4	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-73.2	-34.1	176.9	0	0	0	0	0	112.3	S112 P113 L118 R238 A240	S112-A115 PolarHBondContact O-N 3.38Å; S112-A115 PolarHBondContact OG-N 2.89Å; P113-A115 PolarHBondContact O-N 3.4Å; A115-L118 WeakPolarHBondContact O-CB 3.16Å; A115-L118 PolarHBondContact O-N 2.96Å; A115-R238 HydrophobicContact CB-CB 3.99Å; A115-A240 HydrophobicContact CB-CB 4.19Å
116	L	95.6	Very high	85.7	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-66.8	-36.6	172.3	-74.9	170.7	0	0	0	112	F111 S112 P113 L118 L119 I121 H123 L147 A240	F111-L116 HydrophobicContact CB-CD1 3.96Å; F111-L116 HydrophobicContact CD1-CD1 3.89Å; F111-L116 HydrophobicContact CD2-CD1 4.4Å; F111-L116 HydrophobicContact CG-CD1 3.86Å; S112-L116 WeakPolarHBondContact O-CG 3.31Å; S112-L116 PolarHBondContact O-N 3.42Å; P113-L116 PolarHBondContact O-N 2.84Å; L116-L118 PolarHBondContact O-N 3.17Å; L116-L119 WeakPolarHBondContact O-CA 3.34Å; L116-L119 WeakPolarHBondContact O-CB 3.5Å; L116-L119 PolarHBondContact O-N 3.47Å; L116-I121 HydrophobicContact CB-CB 4.18Å; L116-I121 WeakPolarHBondContact CB-O 3.43Å; L116-I121 HydrophobicContact CD2-CB 4.15Å; L116-I121 HydrophobicContact CD2-CD1 4.11Å; L116-I121 HydrophobicContact CD2-CG2 4.07Å; L116-I121 PolarHBondContact O-N 3.01Å; L116-H123 HydrophobicContact CD1-CB 4.28Å; L116-L147 HydrophobicContact CD2-CD1 4.06Å; L116-A240 HydrophobicContact CD2-CB 3.89Å; L116-A240 HydrophobicContact CG-CB 4.18Å
117	A	94	Very high	82.8	Confident	51 Å²	51	47.5 Å²	47.5	42%	0.421	25%	0.25	S	S	.	.	H	α-helix	trans	-61.3	-30.7	176.9	0	0	0	0	0	112.5	P113 D114 L119 N120	P113-A117 WeakPolarHBondContact O-CB 3.36Å; P113-A117 PolarHBondContact O-N 3.48Å; D114-A117 PolarHBondContact O-N 3.31Å; A117-L119 PolarHBondContact O-N 3.18Å; A117-L119 VanDerWaalsContact O-N 3.11Å; A117-N120 PolarHBondContact O-N 3.11Å
118	L	95.8	Very high	79.9	Confident	32 Å²	32	50.2 Å²	50.2	17%	0.168	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-21.7	173.1	-59.4	177.4	0	0	0	113.2	D114 A115 L116 N188 W194 R238 V270	D114-L118 PolarHBondContact O-N 2.63Å; A115-L118 WeakPolarHBondContact O-CB 3.16Å; A115-L118 PolarHBondContact O-N 2.96Å; L116-L118 PolarHBondContact O-N 3.17Å; L118-N188 WeakPolarHBondContact O-CB 3.39Å; L118-W194 HydrophobicContact CB-CD2 4.18Å; L118-W194 HydrophobicContact CB-CG 4.38Å; L118-W194 HydrophobicContact CD1-CD2 4.38Å; L118-W194 HydrophobicContact CD1-CE3 4.17Å; L118-W194 HydrophobicContact CD1-CH2 3.81Å; L118-W194 HydrophobicContact CD1-CZ2 4.03Å; L118-W194 HydrophobicContact CD1-CZ3 3.89Å; L118-W194 HydrophobicContact CD2-CH2 4.2Å; L118-W194 HydrophobicContact CD2-CZ2 3.67Å; L118-W194 HydrophobicContact CG-CZ2 4.28Å; L118-W194 VanDerWaalsContact O-CD1 3.26Å; L118-R238 HydrophobicContact CD1-CB 4.4Å; L118-R238 HydrophobicContact CD1-CG 3.91Å; L118-V270 HydrophobicContact CB-CG1 4.39Å; L118-V270 HydrophobicContact CD1-CG1 4.3Å
119	L	95.3	Very high	77	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	10.9	179.3	-55	175.1	0	0	0	112.6	L116 A117 I121 V186 W194 L196 V270	L116-L119 WeakPolarHBondContact O-CA 3.34Å; L116-L119 WeakPolarHBondContact O-CB 3.5Å; L116-L119 PolarHBondContact O-N 3.47Å; A117-L119 PolarHBondContact O-N 3.18Å; A117-L119 VanDerWaalsContact O-N 3.11Å; L119-I121 HydrophobicContact CB-CD1 3.99Å; L119-I121 HydrophobicContact CB-CG1 4.02Å; L119-I121 HydrophobicContact CD1-CD1 4.15Å; L119-I121 PolarHBondContact O-N 2.87Å; L119-V186 HydrophobicContact CD2-CB 3.9Å; L119-V186 HydrophobicContact CD2-CG1 4.24Å; L119-V186 HydrophobicContact CD2-CG2 4Å; L119-W194 HydrophobicContact CD2-CB 3.91Å; L119-L196 HydrophobicContact CD1-CB 4.45Å; L119-L196 HydrophobicContact CD1-CD1 4.03Å; L119-L196 HydrophobicContact CD1-CD2 4.13Å; L119-L196 HydrophobicContact CD1-CG 4.43Å; L119-V270 HydrophobicContact CD1-CG2 3.75Å; L119-V270 HydrophobicContact CD2-CG1 3.96Å; L119-V270 HydrophobicContact CD2-CG2 4.44Å; L119-V270 HydrophobicContact CG-CG1 4.3Å; L119-V270 HydrophobicContact CG-CG2 4.24Å
120	N	92.2	Very high	74.4	Confident	30 Å²	30	60.6 Å²	60.6	16%	0.16	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	28	-169.6	-60.2	-20.2	0	0	0	114.1	A117 C122 N188 E189	A117-N120 PolarHBondContact O-N 3.11Å; N120-C122 PolarHBondContact O-N 2.98Å; N120-N188 WeakPolarHBondContact ND2-CA 3.43Å; N120-E189 WeakPolarHBondContact ND2-CG 3.48Å; N120-E189 PolarHBondContact ND2-N 3.09Å; N120-E189 PolarHBondContact OD1-N 2.71Å
121	I	89.1	Confident	71.7	Confident	15 Å²	15	68.9 Å²	68.9	8%	0.077	36%	0.357	C	S	.	.			trans	-92.7	97	175.7	-57.9	173.1	0	0	0	108.2	P68 L116 L119 H123 L143 W153	P68-I121 HydrophobicContact CG-CD1 3.84Å; P68-I121 HydrophobicContact CG-CG1 3.93Å; L116-I121 HydrophobicContact CB-CB 4.18Å; L116-I121 WeakPolarHBondContact CB-O 3.43Å; L116-I121 HydrophobicContact CD2-CB 4.15Å; L116-I121 HydrophobicContact CD2-CD1 4.11Å; L116-I121 HydrophobicContact CD2-CG2 4.07Å; L116-I121 PolarHBondContact O-N 3.01Å; L119-I121 HydrophobicContact CB-CD1 3.99Å; L119-I121 HydrophobicContact CB-CG1 4.02Å; L119-I121 HydrophobicContact CD1-CD1 4.15Å; L119-I121 PolarHBondContact O-N 2.87Å; I121-H123 PolarHBondContact O-N 3.02Å; I121-L143 HydrophobicContact CD1-CD1 4.29Å; I121-L143 HydrophobicContact CG2-CD1 3.94Å; I121-L143 HydrophobicContact CG2-CD2 3.81Å; I121-W153 HydrophobicContact CD1-CH2 4.1Å; I121-W153 HydrophobicContact CD1-CZ2 4.23Å
122	C	72.1	Confident	69	Low	117 Å²	117	75.9 Å²	75.9	79%	0.791	39%	0.394	S	S	*	.			trans	-82	99.3	175.7	-73.6	0	0	0	0	110.5	N120	N120-C122 PolarHBondContact O-N 2.98Å
123	H	65.8	Low	66.3	Low	34 Å²	34	79.1 Å²	79.1	16%	0.157	42%	0.416	C	S	.	.			trans	-110.5	109.3	171.9	-167.5	57.9	0	0	0	110.9	F111 L116 I121 I125 T140 L143	F111-H123 AromaticContact CD2-CD2 3.4Å; F111-H123 VanDerWaalsContact CD2-CD2 3.4Å; F111-H123 WeakPolarHBondContact CD2-CD2 3.46Å; F111-H123 AromaticContact CD2-NE2 3.9Å; F111-H123 AromaticContact CE2-CD2 3.56Å; F111-H123 AromaticContact CE2-NE2 3.75Å; L116-H123 HydrophobicContact CD1-CB 4.28Å; I121-H123 PolarHBondContact O-N 3.02Å; H123-I125 PolarHBondContact O-N 2.94Å; H123-T140 PolarHBondContact CE1-OG1 2.97Å; H123-T140 PolarHBondContact NE2-OG1 3.3Å; H123-L143 HydrophobicContact CB-CD2 4.36Å
124	K	54.9	Low	63.8	Low	180 Å²	180	85.5 Å²	85.5	78%	0.783	44%	0.438	S	S	*	.			trans	-80.9	95.1	174.3	-73.3	-174.8	178.6	179.5	0	109.9	N126	K124-N126 PolarHBondContact O-N 3.21Å; K124-N126 VanDerWaalsContact O-N 3.13Å
125	I	48.4	Very low	61.2	Low	56 Å²	56	84.3 Å²	84.3	29%	0.287	44%	0.443	S	S	.	.			trans	-73	99.2	170.6	-55.8	171.8	0	0	0	107.9	F111 P113 H123	F111-I125 HydrophobicContact CB-CD1 3.73Å; F111-I125 HydrophobicContact CD2-CD1 4.34Å; P113-I125 HydrophobicContact CG-CD1 4.09Å; H123-I125 PolarHBondContact O-N 2.94Å
126	N	39.7	Very low	59	Low	88 Å²	88	89 Å²	89	47%	0.471	46%	0.463	S	S	.	.			trans	-87.6	112.3	160	-85.9	13.3	0	0	0	107.6	K124 L128 D129 K136	K124-N126 PolarHBondContact O-N 3.21Å; K124-N126 VanDerWaalsContact O-N 3.13Å; N126-L128 PolarHBondContact O-N 2.93Å; N126-D129 PolarHBondContact ND2-OD2 2.91Å; N126-K136 PolarHBondContact ND2-NZ 3.29Å
127	H	36.7	Very low	57.8	Low	116 Å²	116	92.4 Å²	92.4	54%	0.537	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	123.2	159.2	-65.3	-83.1	0	0	0	108.7	D129	H127-D129 PolarHBondContact O-N 3.49Å
128	L	33.5	Very low	56.9	Low	147 Å²	147	96.8 Å²	96.8	77%	0.77	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	51.6	157.8	-68.9	160.3	0	0	0	116.9	N126 K130	N126-L128 PolarHBondContact O-N 2.93Å; L128-K130 VanDerWaalsContact C-N 3.32Å; L128-K130 PolarHBondContact O-N 3.49Å; L128-K130 VanDerWaalsContact O-N 3.15Å
129	D	35.5	Very low	56.1	Low	91 Å²	91	101.7 Å²	101.7	49%	0.487	52%	0.518	S	S	.	.			trans	-86.6	78	162.8	-121.1	-24.8	0	0	0	110	N126 H127 Q131 C133	N126-D129 PolarHBondContact ND2-OD2 2.91Å; H127-D129 PolarHBondContact O-N 3.49Å; D129-Q131 PolarHBondContact O-N 3.28Å; D129-C133 PolarHBondContact O-SG 2.95Å
130	K	40.3	Very low	55.7	Low	183 Å²	183	102.9 Å²	102.9	80%	0.796	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-2	-175.7	-83.1	-176	176.5	177.7	0	115.5	L128	L128-K130 VanDerWaalsContact C-N 3.32Å; L128-K130 PolarHBondContact O-N 3.49Å; L128-K130 VanDerWaalsContact O-N 3.15Å
131	Q	38.8	Very low	55.4	Low	176 Å²	176	105.6 Å²	105.6	82%	0.822	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	-12.8	-172.7	-74.5	-173.3	-4.8	0	0	116.5	D129	D129-Q131 PolarHBondContact O-N 3.28Å
132	N	39.3	Very low	55.4	Low	149 Å²	149	107.5 Å²	107.5	80%	0.797	55%	0.553	S	S	*	*	S	Bend	trans	-140.2	25.1	-176.5	-84.2	-31.6	0	0	0	116	K134	N132-K134 VanDerWaalsContact C-N 3.35Å; N132-K134 PolarHBondContact O-N 3.16Å; N132-K134 VanDerWaalsContact O-N 3.07Å
133	C	39.8	Very low	56.4	Low	67 Å²	67	102.8 Å²	102.8	45%	0.453	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-12.3	-166.6	-69.3	0	0	0	0	119	D129 G135 K136 T137	D129-C133 PolarHBondContact O-SG 2.95Å; C133-G135 PolarHBondContact O-N 3.18Å; C133-K136 PolarHBondContact O-N 3.35Å; C133-T137 PolarHBondContact O-N 3.45Å; C133-T137 PolarHBondContact O-OG1 2.9Å; C133-T137 VanDerWaalsContact O-OG1 3.08Å
134	K	40.8	Very low	57.8	Low	190 Å²	190	101.3 Å²	101.3	83%	0.826	51%	0.514	S	S	*	.	H	α-helix	trans	-63	-39.1	-168	-80	-171.9	175.5	-177	0	114.7	N132	N132-K134 VanDerWaalsContact C-N 3.35Å; N132-K134 PolarHBondContact O-N 3.16Å; N132-K134 VanDerWaalsContact O-N 3.07Å
135	G	40.3	Very low	59.8	Low	47 Å²	47	95.1 Å²	95.1	49%	0.485	49%	0.488	S	S	.	.	H	α-helix	trans	-78.4	-34.4	-179.5	0	0	0	0	0	114.6	C133	C133-G135 PolarHBondContact O-N 3.18Å
136	K	51.3	Low	62	Low	99 Å²	99	95 Å²	95	43%	0.43	48%	0.484	S	S	.	.	H	α-helix	trans	-76.6	-31.5	-175.2	-67.7	-176.1	-179.7	178.2	0	112.8	N126 C133 E138 T140	N126-K136 PolarHBondContact ND2-NZ 3.29Å; C133-K136 PolarHBondContact O-N 3.35Å; K136-E138 VanDerWaalsContact C-N 3.32Å; K136-T140 PolarHBondContact O-N 3.29Å; K136-T140 VanDerWaalsContact O-N 3.15Å; K136-T140 PolarHBondContact O-OG1 3.5Å; K136-T140 VanDerWaalsContact O-OG1 3.14Å
137	T	69.3	Low	64.7	Low	71 Å²	71	90.8 Å²	90.8	44%	0.436	46%	0.461	S	S	.	.	H	α-helix	trans	-66.3	-34.9	175.5	-52.9	0	0	0	0	111.8	C133 N141	C133-T137 PolarHBondContact O-N 3.45Å; C133-T137 PolarHBondContact O-OG1 2.9Å; C133-T137 VanDerWaalsContact O-OG1 3.08Å; T137-N141 VanDerWaalsContact O-CB 3.31Å; T137-N141 WeakPolarHBondContact O-CB 3.35Å; T137-N141 PolarHBondContact O-N 3.45Å; T137-N141 PolarHBondContact O-ND2 3.49Å; T137-N141 PolarHBondContact O-OD1 2.8Å
138	E	75.6	Confident	67.6	Low	144 Å²	144	85.3 Å²	85.3	67%	0.673	44%	0.436	S	S	*	.	H	α-helix	trans	-67.5	-43.4	177.2	-73.3	-178.9	-179.5	0	0	112.6	K136 N141 C142	K136-E138 VanDerWaalsContact C-N 3.32Å; E138-N141 PolarHBondContact O-N 3.36Å; E138-C142 WeakPolarHBondContact O-CB 3.42Å; E138-C142 PolarHBondContact O-N 3.38Å
139	E	80.1	Confident	70.6	Confident	134 Å²	134	78.6 Å²	78.6	63%	0.626	40%	0.402	S	S	*	.	H	α-helix	trans	-61.5	-46.4	174.8	-73.1	-179.3	175.6	0	0	111.9	N141 C142 L143	E139-N141 PolarHBondContact O-N 3.23Å; E139-C142 PolarHBondContact O-N 3.18Å; E139-L143 PolarHBondContact O-N 2.96Å
140	T	85.5	Confident	73.6	Confident	27 Å²	27	75.1 Å²	75.1	17%	0.166	38%	0.384	C	S	.	.	H	α-helix	trans	-58.5	-48.4	175	-59.9	0	0	0	0	111	L108 F111 H123 K136 C142 L143 V144	L108-T140 HydrophobicContact CD2-CG2 3.92Å; F111-T140 HydrophobicContact CE2-CG2 4.19Å; H123-T140 PolarHBondContact CE1-OG1 2.97Å; H123-T140 PolarHBondContact NE2-OG1 3.3Å; K136-T140 PolarHBondContact O-N 3.29Å; K136-T140 VanDerWaalsContact O-N 3.15Å; K136-T140 PolarHBondContact O-OG1 3.5Å; K136-T140 VanDerWaalsContact O-OG1 3.14Å; T140-C142 VanDerWaalsContact C-N 3.3Å; T140-C142 PolarHBondContact O-N 2.87Å; T140-L143 PolarHBondContact O-N 2.87Å; T140-V144 HydrophobicContact CG2-CG2 4.31Å; T140-V144 WeakPolarHBondContact O-CB 3.28Å; T140-V144 VanDerWaalsContact O-CG2 3.25Å; T140-V144 WeakPolarHBondContact O-CG2 3.38Å; T140-V144 PolarHBondContact O-N 3.44Å
141	N	87.4	Confident	76.2	Confident	87 Å²	87	71 Å²	71	47%	0.465	37%	0.366	S	S	.	.	H	α-helix	trans	-61.8	-39.9	179.7	-71.3	-14.3	0	0	0	111.5	T137 E138 E139 V144 E145	T137-N141 VanDerWaalsContact O-CB 3.31Å; T137-N141 WeakPolarHBondContact O-CB 3.35Å; T137-N141 PolarHBondContact O-N 3.45Å; T137-N141 PolarHBondContact O-ND2 3.49Å; T137-N141 PolarHBondContact O-OD1 2.8Å; E138-N141 PolarHBondContact O-N 3.36Å; E139-N141 PolarHBondContact O-N 3.23Å; N141-V144 PolarHBondContact O-N 3.17Å; N141-E145 WeakPolarHBondContact O-CG 3.48Å; N141-E145 PolarHBondContact O-N 3.32Å; N141-E145 VanDerWaalsContact O-N 3.07Å
142	C	89.4	Confident	78.9	Confident	54 Å²	54	66.1 Å²	66.1	37%	0.365	35%	0.345	S	S	.	.	H	α-helix	trans	-61.9	-47.4	175.9	-168.3	0	0	0	0	111.5	E138 E139 T140 V144 E145 Y146	E138-C142 WeakPolarHBondContact O-CB 3.42Å; E138-C142 PolarHBondContact O-N 3.38Å; E139-C142 PolarHBondContact O-N 3.18Å; T140-C142 VanDerWaalsContact C-N 3.3Å; T140-C142 PolarHBondContact O-N 2.87Å; C142-V144 VanDerWaalsContact C-N 3.32Å; C142-V144 PolarHBondContact O-N 3.08Å; C142-E145 WeakPolarHBondContact O-CB 3.49Å; C142-E145 PolarHBondContact O-N 3.04Å; C142-Y146 WeakPolarHBondContact O-CD2 3.45Å; C142-Y146 PolarHBondContact O-N 3.48Å
143	L	92.4	Very high	81.6	Confident	19 Å²	19	59.8 Å²	59.8	10%	0.099	31%	0.31	C	S	.	.	H	α-helix	trans	-62.3	-39.5	177	179.8	58	0	0	0	112	F111 I121 H123 E139 T140 E145 Y146 L147 W153	F111-L143 HydrophobicContact CE1-CD2 4.31Å; F111-L143 HydrophobicContact CE2-CD2 4.06Å; F111-L143 HydrophobicContact CZ-CD2 3.71Å; F111-L143 HydrophobicContact CZ-CG 4.05Å; I121-L143 HydrophobicContact CD1-CD1 4.29Å; I121-L143 HydrophobicContact CG2-CD1 3.94Å; I121-L143 HydrophobicContact CG2-CD2 3.81Å; H123-L143 HydrophobicContact CB-CD2 4.36Å; E139-L143 PolarHBondContact O-N 2.96Å; T140-L143 PolarHBondContact O-N 2.87Å; L143-E145 VanDerWaalsContact C-N 3.32Å; L143-E145 PolarHBondContact O-N 3.32Å; L143-Y146 PolarHBondContact O-N 3.32Å; L143-Y146 VanDerWaalsContact O-N 3.17Å; L143-L147 HydrophobicContact CD1-CD1 3.75Å; L143-L147 HydrophobicContact CD1-CG 3.94Å; L143-L147 HydrophobicContact CD2-CD1 4.26Å; L143-L147 HydrophobicContact CG-CD1 3.73Å; L143-L147 HydrophobicContact CG-CG 4.3Å; L143-L147 PolarHBondContact O-N 2.84Å; L143-W153 HydrophobicContact CD1-CH2 4.16Å; L143-W153 HydrophobicContact CD1-CZ2 3.8Å
144	V	95	Very high	84.1	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.012	31%	0.312	C	S	.	.	H	α-helix	trans	-59.2	-41.6	175.1	165	0	0	0	0	111.4	P106 L108 F111 T140 N141 C142 Y146 L147 S148 I243	P106-V144 HydrophobicContact CB-CG1 3.64Å; P106-V144 HydrophobicContact CG-CG1 3.97Å; L108-V144 HydrophobicContact CB-CG2 3.89Å; F111-V144 HydrophobicContact CZ-CG2 4.31Å; T140-V144 HydrophobicContact CG2-CG2 4.31Å; T140-V144 WeakPolarHBondContact O-CB 3.28Å; T140-V144 VanDerWaalsContact O-CG2 3.25Å; T140-V144 WeakPolarHBondContact O-CG2 3.38Å; T140-V144 PolarHBondContact O-N 3.44Å; N141-V144 PolarHBondContact O-N 3.17Å; C142-V144 VanDerWaalsContact C-N 3.32Å; C142-V144 PolarHBondContact O-N 3.08Å; V144-Y146 VanDerWaalsContact C-N 3.28Å; V144-Y146 PolarHBondContact O-N 2.81Å; V144-L147 PolarHBondContact O-N 3.17Å; V144-S148 WeakPolarHBondContact O-CB 3.44Å; V144-S148 PolarHBondContact O-N 2.85Å; V144-S148 PolarHBondContact O-OG 3.3Å; V144-S148 VanDerWaalsContact O-OG 3.06Å; V144-I243 HydrophobicContact CB-CD1 4.31Å; V144-I243 HydrophobicContact CG1-CD1 4.08Å; V144-I243 HydrophobicContact CG1-CG1 4.21Å; V144-I243 HydrophobicContact CG1-CG2 3.93Å; V144-I243 HydrophobicContact CG2-CD1 4.37Å; V144-I243 HydrophobicContact CG2-CG1 4.38Å; V144-I243 WeakPolarHBondContact O-CD1 3.43Å
145	E	96.2	Very high	86.5	Confident	51 Å²	51	53.7 Å²	53.7	24%	0.238	30%	0.298	C	S	.	.	H	α-helix	trans	-61.5	-34.2	176.5	-69.8	-67.6	144	0	0	113	P106 N141 C142 L143 S148 N150 K151	P106-E145 WeakPolarHBondContact CG-OE1 3.28Å; N141-E145 WeakPolarHBondContact O-CG 3.48Å; N141-E145 PolarHBondContact O-N 3.32Å; N141-E145 VanDerWaalsContact O-N 3.07Å; C142-E145 WeakPolarHBondContact O-CB 3.49Å; C142-E145 PolarHBondContact O-N 3.04Å; L143-E145 VanDerWaalsContact C-N 3.32Å; L143-E145 PolarHBondContact O-N 3.32Å; E145-S148 PolarHBondContact O-OG 3.32Å; E145-N150 CarbonylContact O-C 3.5Å; E145-N150 WeakPolarHBondContact O-CA 3.19Å; E145-N150 WeakPolarHBondContact O-CB 3.38Å; E145-N150 PolarHBondContact O-N 3.34Å; E145-N150 WeakPolarHBondContact OE2-CB 3.41Å; E145-N150 PolarHBondContact OE2-ND2 3.47Å; E145-K151 HydrophobicContact CB-CB 4.33Å; E145-K151 HydrophobicContact CB-CD 3.78Å; E145-K151 HydrophobicContact CB-CG 3.98Å; E145-K151 HydrophobicContact CG-CD 4.44Å; E145-K151 PolarHBondContact O-N 3.45Å
146	Y	95.9	Very high	89.2	Confident	53 Å²	53	52.4 Å²	52.4	21%	0.208	28%	0.282	C	S	.	.	H	α-helix	trans	-77.3	-45.2	176.2	-71.6	-76	0	0	0	112.4	C142 L143 V144 S148 G149 K151 L152 W153	C142-Y146 WeakPolarHBondContact O-CD2 3.45Å; C142-Y146 PolarHBondContact O-N 3.48Å; L143-Y146 PolarHBondContact O-N 3.32Å; L143-Y146 VanDerWaalsContact O-N 3.17Å; V144-Y146 VanDerWaalsContact C-N 3.28Å; V144-Y146 PolarHBondContact O-N 2.81Å; Y146-S148 PolarHBondContact O-N 3.02Å; Y146-G149 PolarHBondContact O-N 2.97Å; Y146-K151 HydrophobicContact CD1-CB 3.7Å; Y146-K151 HydrophobicContact CE1-CB 3.72Å; Y146-K151 HydrophobicContact CG-CB 4.19Å; Y146-L152 WeakPolarHBondContact CE1-O 3.45Å; Y146-W153 VanDerWaalsContact CB-CH2 3.44Å; Y146-W153 HydrophobicContact CD1-CB 4.41Å; Y146-W153 AromaticContact CD1-CD1 3.68Å; Y146-W153 AromaticContact CD1-CD2 3.63Å; Y146-W153 HydrophobicContact CD1-CD2 3.63Å; Y146-W153 AromaticContact CD1-CE2 3.72Å; Y146-W153 HydrophobicContact CD1-CE3 4.24Å; Y146-W153 AromaticContact CD1-CG 3.67Å; Y146-W153 HydrophobicContact CD1-CG 3.67Å; Y146-W153 HydrophobicContact CD1-CZ2 4.41Å; Y146-W153 AromaticContact CD1-NE1 3.7Å; Y146-W153 AromaticContact CD2-CE2 3.9Å; Y146-W153 HydrophobicContact CD2-CZ2 4.15Å; Y146-W153 AromaticContact CD2-NE1 3.67Å; Y146-W153 HydrophobicContact CE1-CB 4.43Å; Y146-W153 AromaticContact CE1-CD1 3.61Å; Y146-W153 HydrophobicContact CE1-CD2 4.32Å; Y146-W153 AromaticContact CE1-CG 3.88Å; Y146-W153 HydrophobicContact CE1-CG 3.88Å; Y146-W153 AromaticContact CE1-NE1 3.93Å; Y146-W153 AromaticContact CE2-NE1 3.91Å; Y146-W153 AromaticContact CG-CD2 3.83Å; Y146-W153 HydrophobicContact CG-CD2 3.83Å; Y146-W153 AromaticContact CG-CE2 3.44Å; Y146-W153 VanDerWaalsContact CG-CE2 3.44Å; Y146-W153 HydrophobicContact CG-CE3 4.38Å; Y146-W153 HydrophobicContact CG-CG 4.24Å; Y146-W153 HydrophobicContact CG-CH2 4.32Å; Y146-W153 AromaticContact CG-CZ2 3.74Å; Y146-W153 HydrophobicContact CG-CZ2 3.74Å; Y146-W153 AromaticContact CG-NE1 3.57Å; Y146-W153 AromaticContact CZ-CD1 3.93Å
147	L	96.5	Very high	91.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-73.5	-15.3	-178.9	-69.9	177.5	0	0	0	113.2	F111 L116 L143 V144 W153 L196 L198 I243 S268	F111-L147 HydrophobicContact CD1-CD1 4.49Å; F111-L147 HydrophobicContact CE1-CD1 3.64Å; F111-L147 HydrophobicContact CZ-CD1 4.3Å; L116-L147 HydrophobicContact CD2-CD1 4.06Å; L143-L147 HydrophobicContact CD1-CD1 3.75Å; L143-L147 HydrophobicContact CD1-CG 3.94Å; L143-L147 HydrophobicContact CD2-CD1 4.26Å; L143-L147 HydrophobicContact CG-CD1 3.73Å; L143-L147 HydrophobicContact CG-CG 4.3Å; L143-L147 PolarHBondContact O-N 2.84Å; V144-L147 PolarHBondContact O-N 3.17Å; L147-W153 HydrophobicContact CD2-CH2 3.69Å; L147-W153 HydrophobicContact CD2-CZ3 4.17Å; L147-W153 HydrophobicContact CG-CH2 4Å; L147-L196 HydrophobicContact CD2-CD1 4.47Å; L147-L196 HydrophobicContact CD2-CD2 4.34Å; L147-L198 WeakPolarHBondContact O-CD1 3.22Å; L147-L198 WeakPolarHBondContact O-CD2 3.5Å; L147-I243 HydrophobicContact CB-CD1 3.46Å; L147-I243 VanDerWaalsContact CB-CD1 3.46Å; L147-S268 PolarHBondContact O-OG 3.44Å
148	S	97	Very high	92.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-10.1	167.2	72.9	0	0	0	0	113.4	V144 E145 Y146 N150 I266	V144-S148 WeakPolarHBondContact O-CB 3.44Å; V144-S148 PolarHBondContact O-N 2.85Å; V144-S148 PolarHBondContact O-OG 3.3Å; V144-S148 VanDerWaalsContact O-OG 3.06Å; E145-S148 PolarHBondContact O-OG 3.32Å; Y146-S148 PolarHBondContact O-N 3.02Å; S148-N150 PolarHBondContact O-N 3.18Å; S148-N150 WeakPolarHBondContact OG-CB 3.14Å; S148-N150 PolarHBondContact OG-N 3.45Å; S148-I266 WeakPolarHBondContact O-CD1 3.24Å
149	G	96.8	Very high	93.8	Very high	6 Å²	6	40 Å²	40	6%	0.062	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	10.1	-173.3	0	0	0	0	0	114.2	Y146 K151	Y146-G149 PolarHBondContact O-N 2.97Å; G149-K151 VanDerWaalsContact C-N 3.28Å
150	N	97.5	Very high	94.6	Very high	19 Å²	19	33.6 Å²	33.6	10%	0.102	19%	0.193	C	C	.	.	S	Bend	trans	-68.5	-30.9	171.3	-80.4	6.3	0	0	0	112.3	K102 I103 E145 S148	K102-N150 VanDerWaalsContact CA-OD1 3.25Å; K102-N150 WeakPolarHBondContact CA-OD1 3.34Å; K102-N150 WeakPolarHBondContact CB-OD1 3.41Å; K102-N150 WeakPolarHBondContact CE-O 3.34Å; I103-N150 PolarHBondContact N-OD1 2.9Å; I103-N150 PolarHBondContact O-ND2 2.86Å; I103-N150 PolarHBondContact O-OD1 2.87Å; E145-N150 CarbonylContact O-C 3.5Å; E145-N150 WeakPolarHBondContact O-CA 3.19Å; E145-N150 WeakPolarHBondContact O-CB 3.38Å; E145-N150 PolarHBondContact O-N 3.34Å; E145-N150 WeakPolarHBondContact OE2-CB 3.41Å; E145-N150 PolarHBondContact OE2-ND2 3.47Å; S148-N150 PolarHBondContact O-N 3.18Å; S148-N150 WeakPolarHBondContact OG-CB 3.14Å; S148-N150 PolarHBondContact OG-N 3.45Å
151	K	96.1	Very high	95.2	Very high	96 Å²	96	32.4 Å²	32.4	42%	0.417	19%	0.186	S	C	.	.	S	Bend	trans	-122.2	153.6	170.1	-67.4	-179.4	-174.1	173.3	0	109.9	E145 Y146 G149	E145-K151 HydrophobicContact CB-CB 4.33Å; E145-K151 HydrophobicContact CB-CD 3.78Å; E145-K151 HydrophobicContact CB-CG 3.98Å; E145-K151 HydrophobicContact CG-CD 4.44Å; E145-K151 PolarHBondContact O-N 3.45Å; Y146-K151 HydrophobicContact CD1-CB 3.7Å; Y146-K151 HydrophobicContact CE1-CB 3.72Å; Y146-K151 HydrophobicContact CG-CB 4.19Å; G149-K151 VanDerWaalsContact C-N 3.28Å
152	L	95.7	Very high	95.8	Very high	73 Å²	73	28.3 Å²	28.3	38%	0.382	16%	0.163	S	C	.	.			trans	-117.2	132.7	177	-69.8	-177.1	0	0	0	109.4	P100 Y146 S156 P158 L183	P100-L152 HydrophobicContact CG-CD2 4.17Å; Y146-L152 WeakPolarHBondContact CE1-O 3.45Å; L152-S156 WeakPolarHBondContact CB-OG 3.44Å; L152-P158 HydrophobicContact CD1-CG 3.85Å; L152-P158 HydrophobicContact CD2-CG 3.91Å; L152-L183 HydrophobicContact CD2-CD2 3.87Å
153	W	94.2	Very high	96.2	Very high	16 Å²	16	26.5 Å²	26.5	6%	0.061	15%	0.149	C	C	.	.			trans	-67.7	149.1	172.8	-76.7	-69	0	0	0	110.8	P68 F70 I121 L143 Y146 L147 G155 S156 L183 L196	P68-W153 HydrophobicContact CG-CD2 4.3Å; P68-W153 HydrophobicContact CG-CZ2 4.34Å; F70-W153 HydrophobicContact CD2-CB 4.38Å; F70-W153 HydrophobicContact CE2-CB 3.68Å; F70-W153 HydrophobicContact CE2-CD2 4.44Å; F70-W153 HydrophobicContact CE2-CE3 4.19Å; F70-W153 HydrophobicContact CE2-CG 4.31Å; F70-W153 HydrophobicContact CZ-CE3 4.09Å; I121-W153 HydrophobicContact CD1-CH2 4.1Å; I121-W153 HydrophobicContact CD1-CZ2 4.23Å; L143-W153 HydrophobicContact CD1-CH2 4.16Å; L143-W153 HydrophobicContact CD1-CZ2 3.8Å; Y146-W153 VanDerWaalsContact CB-CH2 3.44Å; Y146-W153 HydrophobicContact CD1-CB 4.41Å; Y146-W153 AromaticContact CD1-CD1 3.68Å; Y146-W153 AromaticContact CD1-CD2 3.63Å; Y146-W153 HydrophobicContact CD1-CD2 3.63Å; Y146-W153 AromaticContact CD1-CE2 3.72Å; Y146-W153 HydrophobicContact CD1-CE3 4.24Å; Y146-W153 AromaticContact CD1-CG 3.67Å; Y146-W153 HydrophobicContact CD1-CG 3.67Å; Y146-W153 HydrophobicContact CD1-CZ2 4.41Å; Y146-W153 AromaticContact CD1-NE1 3.7Å; Y146-W153 AromaticContact CD2-CE2 3.9Å; Y146-W153 HydrophobicContact CD2-CZ2 4.15Å; Y146-W153 AromaticContact CD2-NE1 3.67Å; Y146-W153 HydrophobicContact CE1-CB 4.43Å; Y146-W153 AromaticContact CE1-CD1 3.61Å; Y146-W153 HydrophobicContact CE1-CD2 4.32Å; Y146-W153 AromaticContact CE1-CG 3.88Å; Y146-W153 HydrophobicContact CE1-CG 3.88Å; Y146-W153 AromaticContact CE1-NE1 3.93Å; Y146-W153 AromaticContact CE2-NE1 3.91Å; Y146-W153 AromaticContact CG-CD2 3.83Å; Y146-W153 HydrophobicContact CG-CD2 3.83Å; Y146-W153 AromaticContact CG-CE2 3.44Å; Y146-W153 VanDerWaalsContact CG-CE2 3.44Å; Y146-W153 HydrophobicContact CG-CE3 4.38Å; Y146-W153 HydrophobicContact CG-CG 4.24Å; Y146-W153 HydrophobicContact CG-CH2 4.32Å; Y146-W153 AromaticContact CG-CZ2 3.74Å; Y146-W153 HydrophobicContact CG-CZ2 3.74Å; Y146-W153 AromaticContact CG-NE1 3.57Å; Y146-W153 AromaticContact CZ-CD1 3.93Å; L147-W153 HydrophobicContact CD2-CH2 3.69Å; L147-W153 HydrophobicContact CD2-CZ3 4.17Å; L147-W153 HydrophobicContact CG-CH2 4Å; W153-G155 PolarHBondContact O-N 2.88Å; W153-S156 WeakPolarHBondContact O-CB 3.25Å; W153-S156 PolarHBondContact O-N 3.07Å; W153-S156 VanDerWaalsContact O-N 3.13Å; W153-S156 PolarHBondContact O-OG 3.01Å; W153-L183 HydrophobicContact CE3-CD1 4.23Å; W153-L183 HydrophobicContact CZ3-CD1 4.06Å; W153-L196 HydrophobicContact CE3-CD2 4.45Å; W153-L196 HydrophobicContact CH2-CD2 4.43Å; W153-L196 HydrophobicContact CZ3-CD2 3.68Å
154	P	92.7	Very high	96.5	Very high	78 Å²	78	25.6 Å²	25.6	51%	0.506	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	134.4	168.6	-24.8	34.8	0	0	0	111.5	Y67 S156	Y67-P154 HydrophobicContact CE2-CB 4.36Å; P154-S156 VanDerWaalsContact C-N 3.28Å; P154-S156 PolarHBondContact O-N 2.76Å
155	G	92.5	Very high	96.6	Very high	51 Å²	51	25.5 Å²	25.5	53%	0.526	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	-13.5	-178.9	0	0	0	0	0	115.5	F70 N72 W153	F70-G155 WeakPolarHBondContact CB-O 3.14Å; N72-G155 PolarHBondContact ND2-O 3.36Å; N72-G155 VanDerWaalsContact ND2-O 3.1Å; W153-G155 PolarHBondContact O-N 2.88Å
156	S	95.5	Very high	96.5	Very high	21 Å²	21	23.7 Å²	23.7	15%	0.147	14%	0.135	C	C	.	.			trans	-60.9	140.5	169.1	65.6	0	0	0	0	110.3	L152 W153 P154 L183	L152-S156 WeakPolarHBondContact CB-OG 3.44Å; W153-S156 WeakPolarHBondContact O-CB 3.25Å; W153-S156 PolarHBondContact O-N 3.07Å; W153-S156 VanDerWaalsContact O-N 3.13Å; W153-S156 PolarHBondContact O-OG 3.01Å; P154-S156 VanDerWaalsContact C-N 3.28Å; P154-S156 PolarHBondContact O-N 2.76Å; S156-L183 VanDerWaalsContact CA-O 3.32Å; S156-L183 WeakPolarHBondContact CA-O 3.42Å; S156-L183 VanDerWaalsContact CB-O 3.28Å; S156-L183 WeakPolarHBondContact CB-O 3.48Å
157	N	96.4	Very high	96.3	Very high	40 Å²	40	23.7 Å²	23.7	21%	0.214	14%	0.137	C	C	.	.			trans	-138.8	85.1	179.4	-179.5	8.6	0	0	0	107.6	L75 R97 T159 L183	L75-N157 HydrophobicContact CD1-CB 4.05Å; L75-N157 WeakPolarHBondContact CD1-ND2 3.37Å; R97-N157 PolarHBondContact NE-OD1 3.19Å; N157-T159 PolarHBondContact O-N 3.43Å; N157-L183 PolarHBondContact N-O 3.03Å
158	P	98.1	Very high	96	Very high	12 Å²	12	25.3 Å²	25.3	8%	0.078	14%	0.144	C	C	.	.			trans	-67.7	135.1	-164.2	-19.7	30.7	0	0	0	113.5	V98 L152 I181 S182 L183	V98-P158 PolarHBondContact N-O 3.27Å; V98-P158 WeakPolarHBondContact O-CB 3.5Å; V98-P158 VanDerWaalsContact O-O 3.11Å; L152-P158 HydrophobicContact CD1-CG 3.85Å; L152-P158 HydrophobicContact CD2-CG 3.91Å; P158-I181 HydrophobicContact CB-CG2 3.64Å; P158-S182 CarbonylContact C-O 3.49Å; P158-S182 WeakPolarHBondContact CA-O 3.48Å; P158-L183 HydrophobicContact CB-CD2 4.49Å; P158-L183 HydrophobicContact CG-CD2 4.39Å
159	T	98.2	Very high	95.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	158.4	-178.3	58.5	0	0	0	0	112.5	L75 I80 T96 R97 N157 I181 S182	L75-T159 HydrophobicContact CD1-CG2 3.71Å; L75-T159 HydrophobicContact CD2-CG2 3.7Å; L75-T159 HydrophobicContact CG-CG2 4.38Å; I80-T159 HydrophobicContact CD1-CG2 4.04Å; T96-T159 CarbonylContact O-C 3.46Å; T96-T159 VanDerWaalsContact O-CA 3.23Å; T96-T159 WeakPolarHBondContact O-CA 3.38Å; T96-T159 WeakPolarHBondContact O-CB 3.08Å; R97-T159 HydrophobicContact CG-CG2 4.36Å; N157-T159 PolarHBondContact O-N 3.43Å; T159-I181 CarbonylContact O-C 3.45Å; T159-I181 WeakPolarHBondContact O-CA 3.49Å; T159-S182 PolarHBondContact N-O 3.38Å; T159-S182 PolarHBondContact O-N 3.14Å
160	A	98.4	Very high	95.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	138	168	0	0	0	0	0	109.2	F95 T96 V98 D177 T204 F206	F95-A160 WeakPolarHBondContact CA-O 3.5Å; T96-A160 HydrophobicContact CG2-CB 4.1Å; T96-A160 PolarHBondContact N-O 3.02Å; T96-A160 PolarHBondContact O-N 3.13Å; V98-A160 HydrophobicContact CG1-CB 4.03Å; V98-A160 HydrophobicContact CG2-CB 4.02Å; A160-D177 HydrophobicContact CB-CB 4.06Å; A160-T204 HydrophobicContact CB-CG2 3.94Å; A160-F206 HydrophobicContact CB-CD2 3.73Å; A160-F206 HydrophobicContact CB-CE2 3.66Å
161	H	98.4	Very high	94.9	Very high	3 Å²	3	26.6 Å²	26.6	1%	0.014	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	127.5	-179	-167.2	167.9	0	0	0	111.1	C94 F95 Y163 G176 D177 F206 S279	C94-H161 PolarHBondContact O-CD2 3.27Å; F95-H161 HydrophobicContact CD1-CB 3.98Å; F95-H161 HydrophobicContact CE1-CB 3.84Å; F95-H161 AromaticContact CE1-CD2 3.95Å; F95-H161 AromaticContact CE1-CG 3.66Å; F95-H161 AromaticContact CE1-ND1 3.95Å; H161-Y163 HydrophobicContact CB-CD1 4.17Å; H161-Y163 HydrophobicContact CB-CE1 4.48Å; H161-G176 CarbonylContact O-C 3.39Å; H161-G176 WeakPolarHBondContact O-CA 3.28Å; H161-D177 WeakPolarHBondContact CB-OD2 3.36Å; H161-D177 PolarHBondContact N-OD2 3.09Å; H161-D177 PolarHBondContact O-N 2.93Å; H161-F206 WeakPolarHBondContact O-CE2 3.29Å; H161-S279 PolarHBondContact CE1-OG 2.84Å; H161-S279 PolarHBondContact NE2-OG 2.95Å
162	C	98.4	Very high	94.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.141	C	C	.	.			trans	-82.4	119.4	167.2	-170.2	0	0	0	0	110.6	C94 F206	C94-C162 WeakPolarHBondContact O-CB 3.14Å; C94-C162 PolarHBondContact O-N 2.99Å; C162-F206 HydrophobicContact CB-CE1 3.73Å; C162-F206 HydrophobicContact CB-CE2 4.45Å; C162-F206 HydrophobicContact CB-CZ 3.51Å
163	Y	98.6	Very high	94.8	Very high	16 Å²	16	19.2 Å²	19.2	6%	0.063	13%	0.125	C	C	.	.			trans	-145.1	160.9	173.2	56	-100.3	0	0	0	110.6	H161 L175 G176 R276 D361	H161-Y163 HydrophobicContact CB-CD1 4.17Å; H161-Y163 HydrophobicContact CB-CE1 4.48Å; Y163-L175 HydrophobicContact CD2-CB 3.92Å; Y163-L175 HydrophobicContact CE2-CB 3.74Å; Y163-L175 HydrophobicContact CE2-CD1 4.44Å; Y163-L175 CarbonylContact O-C 2.9Å; Y163-L175 WeakPolarHBondContact O-CA 3.35Å; Y163-L175 PolarHBondContact O-N 3.42Å; Y163-G176 VanDerWaalsContact CE1-CA 3.43Å; Y163-G176 VanDerWaalsContact CZ-O 3.25Å; Y163-G176 PolarHBondContact O-N 3.34Å; Y163-G176 VanDerWaalsContact O-N 3.08Å; Y163-G176 PolarHBondContact OH-O 3.47Å; Y163-R276 VanDerWaalsContact CE1-CZ 3.41Å; Y163-R276 VanDerWaalsContact CE1-NH2 3.28Å; Y163-R276 VanDerWaalsContact CZ-NH1 3.33Å; Y163-R276 VanDerWaalsContact CZ-NH2 3.32Å; Y163-R276 VanDerWaalsContact OH-CZ 3.24Å; Y163-R276 PolarHBondContact OH-NH1 2.65Å; Y163-R276 VanDerWaalsContact OH-NH1 3.08Å; Y163-R276 PolarHBondContact OH-NH2 2.87Å; Y163-D361 HydrophobicContact CD2-CB 3.76Å; Y163-D361 HydrophobicContact CE2-CB 3.71Å
164	C	98.3	Very high	94.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-173.2	168.5	-66.7	0	0	0	0	109.6	F171 G173 G278 E281 P295 D361	C164-F171 HydrophobicContact CB-CE2 3.75Å; C164-F171 HydrophobicContact CB-CZ 3.66Å; C164-G173 VanDerWaalsContact CA-O 3.28Å; C164-G173 WeakPolarHBondContact CA-O 3.48Å; C164-G173 VanDerWaalsContact CB-O 3.28Å; C164-G173 WeakPolarHBondContact CB-O 3.4Å; C164-G173 VanDerWaalsContact SG-C 3.56Å; C164-G173 PolarHBondContact SG-O 3.06Å; C164-G173 VanDerWaalsContact SG-O 3.37Å; C164-G278 PolarHBondContact N-O 3.13Å; C164-G278 CarbonylContact O-C 3.54Å; C164-G278 WeakPolarHBondContact O-CA 3.34Å; C164-E281 HydrophobicContact CB-CB 3.85Å; C164-P295 VanDerWaalsContact SG-CD 3.55Å; C164-D361 WeakPolarHBondContact O-CB 3.37Å
165	G	97.5	Very high	95.2	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.4	153.8	173.1	0	0	0	0	0	112.6	A172 E281 T360	G165-A172 VanDerWaalsContact O-CB 3.31Å; G165-A172 WeakPolarHBondContact O-CB 3.47Å; G165-A172 PolarHBondContact O-N 3.39Å; G165-E281 WeakPolarHBondContact CA-OE2 3.33Å; G165-E281 PolarHBondContact N-OE2 2.87Å; G165-T360 WeakPolarHBondContact CA-OG1 3.47Å
166	Y	94.6	Very high	95.4	Very high	13 Å²	13	14.8 Å²	14.8	5%	0.051	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	106.9	159.2	-79.1	-91.7	0	0	0	109.4	S170 F171 E281 K284 N359 T360 W407 R411	Y166-S170 CarbonylContact C-O 3.55Å; Y166-S170 WeakPolarHBondContact CA-O 3.37Å; Y166-F171 HydrophobicContact CD1-CB 4.03Å; Y166-F171 HydrophobicContact CD1-CD2 4.46Å; Y166-F171 AromaticContact CD2-CD2 3.94Å; Y166-F171 HydrophobicContact CD2-CD2 3.94Å; Y166-F171 HydrophobicContact CE1-CB 3.76Å; Y166-F171 HydrophobicContact CE1-CD2 4.35Å; Y166-F171 AromaticContact CE2-CD2 3.8Å; Y166-F171 HydrophobicContact CE2-CD2 3.8Å; Y166-F171 HydrophobicContact CE2-CE2 4.48Å; Y166-F171 HydrophobicContact CG-CD2 4.3Å; Y166-E281 WeakPolarHBondContact CD2-OE1 3.4Å; Y166-K284 HydrophobicContact CE2-CD 4.44Å; Y166-K284 WeakPolarHBondContact OH-CE 3.43Å; Y166-K284 PolarHBondContact OH-NZ 3.43Å; Y166-N359 VanDerWaalsContact O-CA 3.32Å; Y166-N359 WeakPolarHBondContact O-CA 3.34Å; Y166-N359 VanDerWaalsContact O-CB 3.24Å; Y166-N359 WeakPolarHBondContact O-CB 3.05Å; Y166-T360 HydrophobicContact CD2-CG2 4.21Å; Y166-T360 PolarHBondContact N-OG1 3.22Å; Y166-T360 PolarHBondContact O-N 3.02Å; Y166-W407 AromaticContact CD1-CH2 3.64Å; Y166-W407 HydrophobicContact CD1-CH2 3.64Å; Y166-W407 HydrophobicContact CD1-CZ2 4.47Å; Y166-W407 HydrophobicContact CD2-CH2 4.4Å; Y166-W407 HydrophobicContact CE1-CH2 4.24Å; Y166-W407 AromaticContact CG-CH2 3.69Å; Y166-W407 HydrophobicContact CG-CH2 3.69Å; Y166-W407 HydrophobicContact CG-CZ3 4.14Å; Y166-R411 HydrophobicContact CD2-CB 4.45Å; Y166-R411 HydrophobicContact CD2-CG 4.03Å; Y166-R411 HydrophobicContact CE2-CB 4.4Å; Y166-R411 VanDerWaalsContact CE2-CD 3.4Å; Y166-R411 HydrophobicContact CE2-CG 4.02Å
167	Q	91.4	Very high	95.5	Very high	54 Å²	54	14 Å²	14	25%	0.252	8%	0.08	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	118.9	177	-61.3	-168.6	-39.1	0	0	109.3	G169 S170 A172 L175 N359	Q167-G169 PolarHBondContact O-N 2.6Å; Q167-G169 VanDerWaalsContact O-N 3.1Å; Q167-S170 PolarHBondContact N-O 3.3Å; Q167-S170 PolarHBondContact O-N 2.83Å; Q167-A172 HydrophobicContact CB-CB 4.21Å; Q167-A172 HydrophobicContact CG-CB 3.72Å; Q167-L175 HydrophobicContact CG-CD1 4.23Å; Q167-N359 WeakPolarHBondContact CA-OD1 3.27Å
168	F	88.7	Confident	95.5	Very high	33 Å²	33	13 Å²	13	15%	0.145	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	32.9	-176.6	-67.3	-96.3	0	0	0	113.8	S170 N359 D391 R395 Y396 I556	F168-S170 VanDerWaalsContact C-N 3.31Å; F168-S170 PolarHBondContact O-N 3.39Å; F168-N359 PolarHBondContact N-OD1 2.86Å; F168-N359 VanDerWaalsContact N-OD1 3.11Å; F168-D391 HydrophobicContact CE1-CB 3.78Å; F168-D391 HydrophobicContact CZ-CB 4.42Å; F168-R395 VanDerWaalsContact C-NE 3.27Å; F168-Y396 VanDerWaalsContact CA-OH 3.3Å; F168-Y396 WeakPolarHBondContact CA-OH 3.39Å; F168-Y396 HydrophobicContact CD1-CD2 4.13Å; F168-Y396 AromaticContact CD1-CE2 3.59Å; F168-Y396 HydrophobicContact CD1-CE2 3.59Å; F168-Y396 HydrophobicContact CD2-CE2 4.18Å; F168-Y396 AromaticContact CE1-CD2 3.68Å; F168-Y396 HydrophobicContact CE1-CD2 3.68Å; F168-Y396 AromaticContact CE1-CE2 3.5Å; F168-Y396 HydrophobicContact CE1-CE2 3.5Å; F168-Y396 HydrophobicContact CE2-CE2 4.1Å; F168-Y396 AromaticContact CG-CE2 3.94Å; F168-Y396 HydrophobicContact CG-CE2 3.94Å; F168-Y396 HydrophobicContact CZ-CD2 4.05Å; F168-Y396 AromaticContact CZ-CE2 3.77Å; F168-Y396 HydrophobicContact CZ-CE2 3.77Å; F168-Y396 PolarHBondContact N-OH 3.46Å; F168-Y396 VanDerWaalsContact N-OH 3.13Å; F168-I556 HydrophobicContact CB-CD1 4.31Å
169	G	86.8	Confident	95.4	Very high	22 Å²	22	13.1 Å²	13.1	23%	0.227	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	-6	179.7	0	0	0	0	0	115.2	Q167	Q167-G169 PolarHBondContact O-N 2.6Å; Q167-G169 VanDerWaalsContact O-N 3.1Å
170	S	88.1	Confident	95.4	Very high	31 Å²	31	13.4 Å²	13.4	22%	0.217	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	136.8	175.9	-63.1	0	0	0	0	110.7	Y166 Q167 F168 A172	Y166-S170 CarbonylContact C-O 3.55Å; Y166-S170 WeakPolarHBondContact CA-O 3.37Å; Q167-S170 PolarHBondContact N-O 3.3Å; Q167-S170 PolarHBondContact O-N 2.83Å; F168-S170 VanDerWaalsContact C-N 3.31Å; F168-S170 PolarHBondContact O-N 3.39Å; S170-A172 PolarHBondContact O-N 3.38Å
171	F	93.6	Very high	95.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	125.1	179.5	-171	-116.3	0	0	0	110.9	C164 Y166 E281 K284 D287 T290 R292	C164-F171 HydrophobicContact CB-CE2 3.75Å; C164-F171 HydrophobicContact CB-CZ 3.66Å; Y166-F171 HydrophobicContact CD1-CB 4.03Å; Y166-F171 HydrophobicContact CD1-CD2 4.46Å; Y166-F171 AromaticContact CD2-CD2 3.94Å; Y166-F171 HydrophobicContact CD2-CD2 3.94Å; Y166-F171 HydrophobicContact CE1-CB 3.76Å; Y166-F171 HydrophobicContact CE1-CD2 4.35Å; Y166-F171 AromaticContact CE2-CD2 3.8Å; Y166-F171 HydrophobicContact CE2-CD2 3.8Å; Y166-F171 HydrophobicContact CE2-CE2 4.48Å; Y166-F171 HydrophobicContact CG-CD2 4.3Å; F171-E281 HydrophobicContact CE2-CB 4.02Å; F171-K284 HydrophobicContact CD1-CD 3.83Å; F171-K284 HydrophobicContact CD2-CD 3.64Å; F171-K284 HydrophobicContact CE1-CB 4.16Å; F171-K284 HydrophobicContact CE1-CD 3.78Å; F171-K284 HydrophobicContact CE1-CG 4.42Å; F171-K284 HydrophobicContact CE2-CB 4.35Å; F171-K284 HydrophobicContact CE2-CD 3.6Å; F171-K284 HydrophobicContact CG-CD 3.76Å; F171-K284 HydrophobicContact CZ-CB 3.8Å; F171-K284 HydrophobicContact CZ-CD 3.66Å; F171-K284 HydrophobicContact CZ-CG 4.31Å; F171-D287 HydrophobicContact CB-CB 3.84Å; F171-D287 HydrophobicContact CD1-CB 4.08Å; F171-D287 HydrophobicContact CG-CB 4.34Å; F171-T290 PolarHBondContact O-OG1 2.89Å; F171-R292 HydrophobicContact CD1-CB 4.23Å
172	A	94.5	Very high	95.4	Very high	9 Å²	9	13.3 Å²	13.3	7%	0.074	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-10.6	-171.6	0	0	0	0	0	114.1	G165 Q167 S170 L175 R292	G165-A172 VanDerWaalsContact O-CB 3.31Å; G165-A172 WeakPolarHBondContact O-CB 3.47Å; G165-A172 PolarHBondContact O-N 3.39Å; Q167-A172 HydrophobicContact CB-CB 4.21Å; Q167-A172 HydrophobicContact CG-CB 3.72Å; S170-A172 PolarHBondContact O-N 3.38Å; A172-L175 HydrophobicContact CB-CD1 4.39Å; A172-L175 HydrophobicContact CB-CD2 4.13Å; A172-L175 HydrophobicContact CB-CG 4.39Å; A172-R292 VanDerWaalsContact C-CD 3.48Å; A172-R292 WeakPolarHBondContact O-CD 3.44Å; A172-R292 PolarHBondContact O-NH1 2.88Å; A172-R292 VanDerWaalsContact O-NH1 3.09Å
173	G	96	Very high	95.4	Very high	4 Å²	4	13.3 Å²	13.3	4%	0.041	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74.2	-155.3	-170.2	0	0	0	0	0	111.9	C164 L175 F293	C164-G173 VanDerWaalsContact CA-O 3.28Å; C164-G173 WeakPolarHBondContact CA-O 3.48Å; C164-G173 VanDerWaalsContact CB-O 3.28Å; C164-G173 WeakPolarHBondContact CB-O 3.4Å; C164-G173 VanDerWaalsContact SG-C 3.56Å; C164-G173 PolarHBondContact SG-O 3.06Å; C164-G173 VanDerWaalsContact SG-O 3.37Å; G173-L175 PolarHBondContact O-N 2.94Å; G173-F293 WeakPolarHBondContact CA-O 3.42Å
174	Q	97.3	Very high	95.3	Very high	41 Å²	41	12.5 Å²	12.5	19%	0.192	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	124.6	179.2	-168.8	-175.6	-84.7	0	0	111.4	R88 F206 P295	R88-Q174 PolarHBondContact O-NE2 2.99Å; R88-Q174 VanDerWaalsContact O-NE2 3.1Å; Q174-F206 HydrophobicContact CG-CD1 4.39Å; Q174-P295 HydrophobicContact CB-CG 4.28Å; Q174-P295 HydrophobicContact CG-CG 4.07Å
175	L	96.9	Very high	95.3	Very high	7 Å²	7	12.6 Å²	12.6	4%	0.037	8%	0.08	C	C	.	.			trans	-109.7	-99.2	168.6	-61.7	175.5	0	0	0	107.7	Y163 Q167 A172 G173 F206 D361	Y163-L175 HydrophobicContact CD2-CB 3.92Å; Y163-L175 HydrophobicContact CE2-CB 3.74Å; Y163-L175 HydrophobicContact CE2-CD1 4.44Å; Y163-L175 CarbonylContact O-C 2.9Å; Y163-L175 WeakPolarHBondContact O-CA 3.35Å; Y163-L175 PolarHBondContact O-N 3.42Å; Q167-L175 HydrophobicContact CG-CD1 4.23Å; A172-L175 HydrophobicContact CB-CD1 4.39Å; A172-L175 HydrophobicContact CB-CD2 4.13Å; A172-L175 HydrophobicContact CB-CG 4.39Å; G173-L175 PolarHBondContact O-N 2.94Å; L175-F206 VanDerWaalsContact O-CB 3.22Å; L175-F206 WeakPolarHBondContact O-CB 3.4Å; L175-F206 WeakPolarHBondContact O-CD1 3.14Å; L175-D361 HydrophobicContact CD1-CB 3.95Å; L175-D361 VanDerWaalsContact CD1-CG 3.48Å; L175-D361 WeakPolarHBondContact CD1-OD2 3.43Å
176	G	97.5	Very high	95.3	Very high	5 Å²	5	12.6 Å²	12.6	5%	0.052	8%	0.08	C	C	.	.			trans	92.5	174.8	-178.8	0	0	0	0	0	113.7	H161 Y163 G178	H161-G176 CarbonylContact O-C 3.39Å; H161-G176 WeakPolarHBondContact O-CA 3.28Å; Y163-G176 VanDerWaalsContact CE1-CA 3.43Å; Y163-G176 VanDerWaalsContact CZ-O 3.25Å; Y163-G176 PolarHBondContact O-N 3.34Å; Y163-G176 VanDerWaalsContact O-N 3.08Å; Y163-G176 PolarHBondContact OH-O 3.47Å; G176-G178 PolarHBondContact O-N 2.94Å
177	D	98.1	Very high	95.4	Very high	3 Å²	3	13.8 Å²	13.8	2%	0.016	9%	0.089	C	C	.	.			trans	-68.8	78	178.2	-78.3	-27.1	0	0	0	110.8	A160 H161 A179 A180 Q197 T204 R276	A160-D177 HydrophobicContact CB-CB 4.06Å; H161-D177 WeakPolarHBondContact CB-OD2 3.36Å; H161-D177 PolarHBondContact N-OD2 3.09Å; H161-D177 PolarHBondContact O-N 2.93Å; D177-A179 VanDerWaalsContact C-N 3.28Å; D177-A179 PolarHBondContact O-N 3.35Å; D177-A180 HydrophobicContact CB-CB 4.04Å; D177-A180 WeakPolarHBondContact CB-O 3.39Å; D177-Q197 VanDerWaalsContact CG-NE2 3.34Å; D177-Q197 PolarHBondContact OD1-NE2 3.49Å; D177-Q197 PolarHBondContact OD2-NE2 2.86Å; D177-T204 WeakPolarHBondContact O-CB 3.19Å; D177-T204 WeakPolarHBondContact O-CG2 3.37Å; D177-T204 PolarHBondContact O-OG1 2.87Å; D177-R276 IonicContact OD1-NH2 3.97Å; D177-R276 PolarHBondContact OD1-NH2 3.24Å
178	G	96.4	Very high	95.5	Very high	19 Å²	19	11.6 Å²	11.6	20%	0.196	8%	0.079	C	C	.	.	S	Bend	trans	-74.2	-12.7	-173.4	0	0	0	0	0	115.6	G176 F206 S207 G212	G176-G178 PolarHBondContact O-N 2.94Å; G178-F206 VanDerWaalsContact CA-C 3.45Å; G178-F206 WeakPolarHBondContact CA-O 3.41Å; G178-S207 WeakPolarHBondContact O-CA 3.41Å; G178-S207 VanDerWaalsContact O-CB 3.31Å; G178-S207 WeakPolarHBondContact O-CB 3.5Å; G178-S207 PolarHBondContact O-OG 3.41Å; G178-G212 WeakPolarHBondContact O-CA 3.46Å
179	A	96.1	Very high	95.7	Very high	16 Å²	16	16.7 Å²	16.7	13%	0.132	10%	0.103	C	C	.	.	S	Bend	trans	-145	16	175.3	0	0	0	0	0	111.3	D177 K199 G200	D177-A179 VanDerWaalsContact C-N 3.28Å; D177-A179 PolarHBondContact O-N 3.35Å; A179-K199 CarbonylContact O-C 3.57Å; A179-G200 PolarHBondContact O-N 3.4Å
180	A	97.6	Very high	96	Very high	5 Å²	5	21.8 Å²	21.8	4%	0.041	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	141	-176.7	0	0	0	0	0	109.7	D177 Q197 L198 K199	D177-A180 HydrophobicContact CB-CB 4.04Å; D177-A180 WeakPolarHBondContact CB-O 3.39Å; A180-Q197 HydrophobicContact CB-CG 3.98Å; A180-L198 WeakPolarHBondContact CA-O 3.31Å; A180-K199 HydrophobicContact CB-CB 4.49Å; A180-K199 HydrophobicContact CB-CG 4.32Å
181	I	98.5	Very high	96.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	117.2	178.5	-62.2	178.2	0	0	0	107.5	V98 P100 P158 T159 Q197 L198 A201 T204	V98-I181 HydrophobicContact CG2-CB 4.31Å; V98-I181 HydrophobicContact CG2-CD1 3.93Å; V98-I181 HydrophobicContact CG2-CG1 3.81Å; V98-I181 HydrophobicContact CG2-CG2 3.68Å; P100-I181 HydrophobicContact CB-CD1 4.43Å; P100-I181 HydrophobicContact CG-CD1 4.39Å; P100-I181 HydrophobicContact CG-CG2 4.14Å; P158-I181 HydrophobicContact CB-CG2 3.64Å; T159-I181 CarbonylContact O-C 3.45Å; T159-I181 WeakPolarHBondContact O-CA 3.49Å; I181-Q197 CarbonylContact O-C 3.45Å; I181-L198 PolarHBondContact N-O 3.17Å; I181-L198 PolarHBondContact O-N 3.02Å; I181-A201 HydrophobicContact CB-CB 4.04Å; I181-A201 HydrophobicContact CD1-CB 3.95Å; I181-A201 HydrophobicContact CG1-CB 4.1Å; I181-T204 HydrophobicContact CD1-CG2 4.22Å; I181-T204 HydrophobicContact CG1-CG2 3.86Å
182	S	98.3	Very high	96.3	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.007	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	127.6	169.3	-169.2	0	0	0	0	108.2	P158 T159 G184 E195 L196	P158-S182 CarbonylContact C-O 3.49Å; P158-S182 WeakPolarHBondContact CA-O 3.48Å; T159-S182 PolarHBondContact N-O 3.38Å; T159-S182 PolarHBondContact O-N 3.14Å; S182-G184 VanDerWaalsContact C-N 3.28Å; S182-G184 PolarHBondContact OG-N 3.5Å; S182-E195 VanDerWaalsContact CB-OE1 3.3Å; S182-E195 WeakPolarHBondContact CB-OE1 3.49Å; S182-E195 VanDerWaalsContact OG-CG 3.26Å; S182-E195 WeakPolarHBondContact OG-CG 3.47Å; S182-E195 PolarHBondContact OG-OE1 3.1Å; S182-L196 CarbonylContact C-O 3.56Å; S182-L196 WeakPolarHBondContact CA-O 3.27Å
183	L	98	Very high	96.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-20	169.9	-60.9	-170.7	0	0	0	111.4	F70 P100 L152 W153 S156 N157 P158 L196 L198	F70-L183 HydrophobicContact CE1-CB 4.14Å; F70-L183 HydrophobicContact CZ-CB 4.32Å; P100-L183 HydrophobicContact CG-CD2 4.16Å; L152-L183 HydrophobicContact CD2-CD2 3.87Å; W153-L183 HydrophobicContact CE3-CD1 4.23Å; W153-L183 HydrophobicContact CZ3-CD1 4.06Å; S156-L183 VanDerWaalsContact CA-O 3.32Å; S156-L183 WeakPolarHBondContact CA-O 3.42Å; S156-L183 VanDerWaalsContact CB-O 3.28Å; S156-L183 WeakPolarHBondContact CB-O 3.48Å; N157-L183 PolarHBondContact N-O 3.03Å; P158-L183 HydrophobicContact CB-CD2 4.49Å; P158-L183 HydrophobicContact CG-CD2 4.39Å; L183-L196 HydrophobicContact CB-CG 4.49Å; L183-L196 HydrophobicContact CD1-CD2 3.94Å; L183-L196 HydrophobicContact CD1-CG 4.32Å; L183-L196 PolarHBondContact N-O 2.79Å; L183-L198 HydrophobicContact CD1-CD1 3.9Å; L183-L198 HydrophobicContact CD1-CD2 4.38Å; L183-L198 HydrophobicContact CD1-CG 4Å; L183-L198 HydrophobicContact CD2-CD1 3.97Å; L183-L198 HydrophobicContact CD2-CG 4.19Å; L183-L198 HydrophobicContact CG-CD1 4.11Å; L183-L198 HydrophobicContact CG-CG 3.94Å
184	G	97.4	Very high	96.5	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	136.3	-173.7	178.9	0	0	0	0	0	113.3	N72 S182 L196	N72-G184 WeakPolarHBondContact OD1-CA 3.25Å; S182-G184 VanDerWaalsContact C-N 3.28Å; S182-G184 PolarHBondContact OG-N 3.5Å; G184-L196 PolarHBondContact O-N 3.08Å
185	E	97.9	Very high	96.6	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	114.3	-179.2	-64.5	172.6	108.6	0	0	110.1	F70 D71 N72 I73 Q74 R193 W194 Y309	F70-E185 CarbonylContact C-O 3.47Å; F70-E185 VanDerWaalsContact CA-O 3.29Å; F70-E185 WeakPolarHBondContact CA-O 3.34Å; D71-E185 PolarHBondContact N-O 2.87Å; N72-E185 WeakPolarHBondContact CA-OE2 3.41Å; N72-E185 PolarHBondContact OD1-N 2.89Å; I73-E185 PolarHBondContact N-OE2 3.23Å; Q74-E185 WeakPolarHBondContact CB-OE2 3.4Å; Q74-E185 HydrophobicContact CG-CG 4.43Å; Q74-E185 WeakPolarHBondContact CG-OE2 3.39Å; Q74-E185 PolarHBondContact N-OE2 3.27Å; E185-R193 HydrophobicContact CB-CG 3.9Å; E185-R193 HydrophobicContact CG-CG 4.42Å; E185-R193 WeakPolarHBondContact OE1-CD 3.36Å; E185-W194 CarbonylContact C-O 3.4Å; E185-Y309 PolarHBondContact OE1-OH 3.18Å
186	V	97	Very high	96.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	135.3	175.4	177.5	0	0	0	0	109.6	P68 Q69 F70 L119 R193 W194	P68-V186 HydrophobicContact CB-CB 4.33Å; P68-V186 HydrophobicContact CB-CG1 3.74Å; P68-V186 HydrophobicContact CB-CG2 3.58Å; Q69-V186 CarbonylContact O-C 3.56Å; Q69-V186 WeakPolarHBondContact O-CA 3.3Å; F70-V186 HydrophobicContact CD1-CG2 3.97Å; F70-V186 HydrophobicContact CE1-CG2 3.65Å; F70-V186 HydrophobicContact CE2-CG2 4.33Å; F70-V186 HydrophobicContact CG-CG2 4.46Å; F70-V186 HydrophobicContact CZ-CG2 3.84Å; L119-V186 HydrophobicContact CD2-CB 3.9Å; L119-V186 HydrophobicContact CD2-CG1 4.24Å; L119-V186 HydrophobicContact CD2-CG2 4Å; V186-R193 CarbonylContact O-C 3.59Å; V186-R193 WeakPolarHBondContact O-CA 3.47Å; V186-W194 PolarHBondContact N-O 2.89Å; V186-W194 PolarHBondContact O-N 3.31Å
187	V	96.7	Very high	96.7	Very high	38 Å²	38	27.6 Å²	27.6	23%	0.23	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	119.3	167.1	-177.6	0	0	0	0	108.3	Q69 D71 E192	Q69-V187 PolarHBondContact O-N 3.36Å; D71-V187 HydrophobicContact CB-CG2 3.96Å; V187-E192 CarbonylContact C-O 3.56Å; V187-E192 WeakPolarHBondContact CA-O 3.43Å
188	N	94.4	Very high	96.7	Very high	8 Å²	8	27.5 Å²	27.5	4%	0.043	15%	0.152	C	C	.	.			trans	-81.8	177.9	179.5	73.9	9.4	0	0	0	111.9	L118 N120 Q190 G191 E192 W194	L118-N188 WeakPolarHBondContact O-CB 3.39Å; N120-N188 WeakPolarHBondContact ND2-CA 3.43Å; N188-Q190 PolarHBondContact ND2-OE1 3.38Å; N188-Q190 PolarHBondContact O-N 3.1Å; N188-Q190 WeakPolarHBondContact OD1-CA 3.26Å; N188-Q190 PolarHBondContact OD1-N 3.34Å; N188-Q190 VanDerWaalsContact OD1-N 3.09Å; N188-Q190 PolarHBondContact OD1-OE1 3.05Å; N188-G191 PolarHBondContact O-N 2.66Å; N188-G191 PolarHBondContact OD1-N 3.07Å; N188-E192 PolarHBondContact N-O 2.95Å; N188-E192 PolarHBondContact ND2-OE2 3.11Å; N188-E192 WeakPolarHBondContact OD1-CA 3.44Å; N188-E192 VanDerWaalsContact OD1-CB 3.3Å; N188-E192 WeakPolarHBondContact OD1-CB 3.21Å; N188-E192 PolarHBondContact OD1-N 2.97Å; N188-E192 PolarHBondContact OD1-O 3.1Å; N188-W194 PolarHBondContact ND2-NE1 3.44Å
189	E	91.8	Very high	96.8	Very high	140 Å²	140	27.4 Å²	27.4	65%	0.654	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-21.9	-176.7	-87.9	163.8	-155.3	0	0	112.8	N120 G191	N120-E189 WeakPolarHBondContact ND2-CG 3.48Å; N120-E189 PolarHBondContact ND2-N 3.09Å; N120-E189 PolarHBondContact OD1-N 2.71Å; E189-G191 PolarHBondContact O-N 3.27Å
190	Q	93	Very high	96.9	Very high	130 Å²	130	26.7 Å²	26.7	61%	0.607	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	4.5	175.7	-59.5	76.5	27.8	0	0	112.4	N188 E192	N188-Q190 PolarHBondContact ND2-OE1 3.38Å; N188-Q190 PolarHBondContact O-N 3.1Å; N188-Q190 WeakPolarHBondContact OD1-CA 3.26Å; N188-Q190 PolarHBondContact OD1-N 3.34Å; N188-Q190 VanDerWaalsContact OD1-N 3.09Å; N188-Q190 PolarHBondContact OD1-OE1 3.05Å; Q190-E192 HydrophobicContact CB-CG 4.06Å; Q190-E192 PolarHBondContact O-N 2.88Å
191	G	93.8	Very high	96.8	Very high	58 Å²	58	26.4 Å²	26.4	60%	0.598	14%	0.139	S	C	*	.	S	Bend	trans	74.3	12.6	-177.3	0	0	0	0	0	113.4	N188 E189	N188-G191 PolarHBondContact O-N 2.66Å; N188-G191 PolarHBondContact OD1-N 3.07Å; E189-G191 PolarHBondContact O-N 3.27Å
192	E	95.3	Very high	96.7	Very high	79 Å²	79	26.4 Å²	26.4	37%	0.369	14%	0.139	S	C	.	.			trans	-86.9	145	177.7	-48.5	-175.6	116.8	0	0	112	V187 N188 Q190 W194 K272	V187-E192 CarbonylContact C-O 3.56Å; V187-E192 WeakPolarHBondContact CA-O 3.43Å; N188-E192 PolarHBondContact N-O 2.95Å; N188-E192 PolarHBondContact ND2-OE2 3.11Å; N188-E192 WeakPolarHBondContact OD1-CA 3.44Å; N188-E192 VanDerWaalsContact OD1-CB 3.3Å; N188-E192 WeakPolarHBondContact OD1-CB 3.21Å; N188-E192 PolarHBondContact OD1-N 2.97Å; N188-E192 PolarHBondContact OD1-O 3.1Å; Q190-E192 HydrophobicContact CB-CG 4.06Å; Q190-E192 PolarHBondContact O-N 2.88Å; E192-W194 PolarHBondContact OE2-NE1 3.27Å; E192-K272 VanDerWaalsContact CB-NZ 3.33Å; E192-K272 IonicContact OE1-NZ 3.86Å; E192-K272 PolarHBondContact OE1-NZ 3.09Å; E192-K272 VanDerWaalsContact OE1-NZ 3.16Å; E192-K272 IonicContact OE2-NZ 3.64Å; E192-K272 PolarHBondContact OE2-NZ 2.85Å
193	R	97	Very high	96.6	Very high	49 Å²	49	29.8 Å²	29.8	19%	0.185	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	133.7	178.7	-168.5	173.8	-56.5	-72.8	3.9	112.4	D71 E185 V186 K272	D71-R193 PolarHBondContact O-NH1 3.23Å; D71-R193 IonicContact OD2-CZ 2.76Å; D71-R193 IonicContact OD2-NH1 3.43Å; D71-R193 PolarHBondContact OD2-NH1 3.15Å; D71-R193 IonicContact OD2-NH2 3.88Å; D71-R193 PolarHBondContact OD2-NH2 2.89Å; E185-R193 HydrophobicContact CB-CG 3.9Å; E185-R193 HydrophobicContact CG-CG 4.42Å; E185-R193 WeakPolarHBondContact OE1-CD 3.36Å; V186-R193 CarbonylContact O-C 3.59Å; V186-R193 WeakPolarHBondContact O-CA 3.47Å; R193-K272 WeakPolarHBondContact O-CD 3.33Å
194	W	98.2	Very high	96.6	Very high	31 Å²	31	29.8 Å²	29.8	12%	0.117	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	123.5	178.8	-67	97.2	0	0	0	110.5	L118 L119 E185 V186 N188 E192 V270 A271 K272	L118-W194 HydrophobicContact CB-CD2 4.18Å; L118-W194 HydrophobicContact CB-CG 4.38Å; L118-W194 HydrophobicContact CD1-CD2 4.38Å; L118-W194 HydrophobicContact CD1-CE3 4.17Å; L118-W194 HydrophobicContact CD1-CH2 3.81Å; L118-W194 HydrophobicContact CD1-CZ2 4.03Å; L118-W194 HydrophobicContact CD1-CZ3 3.89Å; L118-W194 HydrophobicContact CD2-CH2 4.2Å; L118-W194 HydrophobicContact CD2-CZ2 3.67Å; L118-W194 HydrophobicContact CG-CZ2 4.28Å; L118-W194 VanDerWaalsContact O-CD1 3.26Å; L119-W194 HydrophobicContact CD2-CB 3.91Å; E185-W194 CarbonylContact C-O 3.4Å; V186-W194 PolarHBondContact N-O 2.89Å; V186-W194 PolarHBondContact O-N 3.31Å; N188-W194 PolarHBondContact ND2-NE1 3.44Å; E192-W194 PolarHBondContact OE2-NE1 3.27Å; W194-V270 HydrophobicContact CB-CG1 4.1Å; W194-V270 HydrophobicContact CD2-CG1 4.31Å; W194-V270 HydrophobicContact CE3-CG1 3.82Å; W194-V270 HydrophobicContact CG-CG1 4.47Å; W194-A271 CarbonylContact C-O 3.5Å; W194-K272 HydrophobicContact CD2-CD 3.93Å; W194-K272 HydrophobicContact CE3-CD 3.96Å; W194-K272 HydrophobicContact CE3-CG 4.31Å; W194-K272 HydrophobicContact CH2-CD 4Å; W194-K272 HydrophobicContact CH2-CG 4.26Å; W194-K272 HydrophobicContact CZ2-CD 3.95Å; W194-K272 HydrophobicContact CZ3-CD 4Å; W194-K272 HydrophobicContact CZ3-CG 4.05Å
195	E	98.2	Very high	96.7	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.009	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	128.5	172.5	-169.5	172.3	-175.3	0	0	110.2	Q74 S182 V270 A271 F274	Q74-E195 PolarHBondContact NE2-OE1 3.39Å; S182-E195 VanDerWaalsContact CB-OE1 3.3Å; S182-E195 WeakPolarHBondContact CB-OE1 3.49Å; S182-E195 VanDerWaalsContact OG-CG 3.26Å; S182-E195 WeakPolarHBondContact OG-CG 3.47Å; S182-E195 PolarHBondContact OG-OE1 3.1Å; E195-V270 WeakPolarHBondContact O-CA 3.21Å; E195-A271 PolarHBondContact N-O 3.16Å; E195-A271 PolarHBondContact O-N 3.09Å; E195-A271 VanDerWaalsContact O-N 3.17Å; E195-F274 HydrophobicContact CB-CD2 4.04Å; E195-F274 HydrophobicContact CB-CE2 4.11Å; E195-F274 HydrophobicContact CG-CD2 3.84Å; E195-F274 HydrophobicContact CG-CE2 4.14Å; E195-F274 WeakPolarHBondContact OE2-CD2 3.3Å; E195-F274 PolarHBondContact OE2-N 3.08Å; E195-F274 VanDerWaalsContact OE2-N 3.07Å
196	L	98.2	Very high	96.7	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	114.9	174.1	171.4	58.9	0	0	0	109.6	L119 L147 W153 S182 L183 G184 L198 V270	L119-L196 HydrophobicContact CD1-CB 4.45Å; L119-L196 HydrophobicContact CD1-CD1 4.03Å; L119-L196 HydrophobicContact CD1-CD2 4.13Å; L119-L196 HydrophobicContact CD1-CG 4.43Å; L147-L196 HydrophobicContact CD2-CD1 4.47Å; L147-L196 HydrophobicContact CD2-CD2 4.34Å; W153-L196 HydrophobicContact CE3-CD2 4.45Å; W153-L196 HydrophobicContact CH2-CD2 4.43Å; W153-L196 HydrophobicContact CZ3-CD2 3.68Å; S182-L196 CarbonylContact C-O 3.56Å; S182-L196 WeakPolarHBondContact CA-O 3.27Å; L183-L196 HydrophobicContact CB-CG 4.49Å; L183-L196 HydrophobicContact CD1-CD2 3.94Å; L183-L196 HydrophobicContact CD1-CG 4.32Å; L183-L196 PolarHBondContact N-O 2.79Å; G184-L196 PolarHBondContact O-N 3.08Å; L196-L198 HydrophobicContact CD1-CD2 4.42Å; L196-V270 HydrophobicContact CD1-CG2 4.11Å
197	Q	98.4	Very high	96.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.8	-179.1	-167.6	-171	64.8	0	0	111.5	D177 A180 I181 R269 F274	D177-Q197 VanDerWaalsContact CG-NE2 3.34Å; D177-Q197 PolarHBondContact OD1-NE2 3.49Å; D177-Q197 PolarHBondContact OD2-NE2 2.86Å; A180-Q197 HydrophobicContact CB-CG 3.98Å; I181-Q197 CarbonylContact O-C 3.45Å; Q197-R269 HydrophobicContact CB-CB 4.42Å; Q197-R269 PolarHBondContact N-O 3.4Å; Q197-R269 PolarHBondContact O-N 2.9Å; Q197-F274 HydrophobicContact CB-CD2 4.1Å; Q197-F274 HydrophobicContact CB-CE2 3.68Å; Q197-F274 HydrophobicContact CB-CZ 4.01Å
198	L	98.6	Very high	96.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	111.8	174.6	-58.6	-169	0	0	0	110.4	L147 A180 I181 L183 L196 A201 I266 S268	L147-L198 WeakPolarHBondContact O-CD1 3.22Å; L147-L198 WeakPolarHBondContact O-CD2 3.5Å; A180-L198 WeakPolarHBondContact CA-O 3.31Å; I181-L198 PolarHBondContact N-O 3.17Å; I181-L198 PolarHBondContact O-N 3.02Å; L183-L198 HydrophobicContact CD1-CD1 3.9Å; L183-L198 HydrophobicContact CD1-CD2 4.38Å; L183-L198 HydrophobicContact CD1-CG 4Å; L183-L198 HydrophobicContact CD2-CD1 3.97Å; L183-L198 HydrophobicContact CD2-CG 4.19Å; L183-L198 HydrophobicContact CG-CD1 4.11Å; L183-L198 HydrophobicContact CG-CG 3.94Å; L196-L198 HydrophobicContact CD1-CD2 4.42Å; L198-A201 HydrophobicContact CB-CB 3.73Å; L198-A201 WeakPolarHBondContact O-CB 3.23Å; L198-I266 HydrophobicContact CB-CG2 3.97Å; L198-I266 HydrophobicContact CD2-CG2 4.41Å; L198-S268 WeakPolarHBondContact CD2-OG 3.11Å
199	K	98.2	Very high	96.1	Very high	17 Å²	17	44.5 Å²	44.5	7%	0.074	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	120.9	176.5	-161.4	-178.4	-172.9	-179.9	0	109.4	A179 A180 K214 E222 I266 T267 D371	A179-K199 CarbonylContact O-C 3.57Å; A180-K199 HydrophobicContact CB-CB 4.49Å; A180-K199 HydrophobicContact CB-CG 4.32Å; K199-K214 HydrophobicContact CG-CG 4.21Å; K199-E222 WeakPolarHBondContact CD-OE2 3.47Å; K199-E222 WeakPolarHBondContact CE-OE2 3.49Å; K199-E222 IonicContact NZ-OE1 2.61Å; K199-E222 PolarHBondContact NZ-OE1 3.31Å; K199-E222 IonicContact NZ-OE2 2.92Å; K199-E222 PolarHBondContact NZ-OE2 3.13Å; K199-I266 CarbonylContact O-C 3.56Å; K199-I266 VanDerWaalsContact O-CA 3.27Å; K199-I266 WeakPolarHBondContact O-CA 3.42Å; K199-T267 PolarHBondContact N-O 3.43Å; K199-T267 PolarHBondContact O-N 2.94Å; K199-D371 IonicContact NZ-OD1 3.06Å; K199-D371 PolarHBondContact NZ-OD1 3.2Å
200	G	97.3	Very high	96	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.01	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.3	4	-168	0	0	0	0	0	114.1	A179 G202 G212 R213	A179-G200 PolarHBondContact O-N 3.4Å; G200-G202 PolarHBondContact O-N 2.9Å; G200-G202 VanDerWaalsContact O-N 3.15Å; G200-G212 CarbonylContact C-O 3.57Å; G200-R213 VanDerWaalsContact O-CD 3.24Å; G200-R213 WeakPolarHBondContact O-CD 3.46Å; G200-R213 PolarHBondContact O-NH1 3.28Å
201	A	97.1	Very high	96	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.191	C	C	.	.			trans	-77.3	7	-170.8	0	0	0	0	0	115.4	P100 T101 I181 L198	P100-A201 CarbonylContact C-O 3.48Å; P100-A201 WeakPolarHBondContact CA-O 3.48Å; P100-A201 HydrophobicContact CB-CB 4.38Å; T101-A201 PolarHBondContact N-O 3.04Å; I181-A201 HydrophobicContact CB-CB 4.04Å; I181-A201 HydrophobicContact CD1-CB 3.95Å; I181-A201 HydrophobicContact CG1-CB 4.1Å; L198-A201 HydrophobicContact CB-CB 3.73Å; L198-A201 WeakPolarHBondContact O-CB 3.23Å
202	G	96.3	Very high	96	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.164	C	C	.	.			trans	112.8	-174.1	173.9	0	0	0	0	0	114	G200 G212	G200-G202 PolarHBondContact O-N 2.9Å; G200-G202 VanDerWaalsContact O-N 3.15Å; G202-G212 CarbonylContact C-O 3.57Å; G202-G212 WeakPolarHBondContact CA-O 3.38Å; G202-G212 PolarHBondContact N-O 3.31Å; G202-G212 WeakPolarHBondContact O-CA 3.47Å
203	L	96.7	Very high	96.1	Very high	72 Å²	72	31 Å²	31	38%	0.377	15%	0.15	S	C	.	.			trans	-67	145.9	-177.1	-74	171.3	0	0	0	112	N85 S207 G210 D211	N85-L203 PolarHBondContact ND2-O 3.45Å; N85-L203 PolarHBondContact OD1-O 2.9Å; L203-S207 WeakPolarHBondContact CA-OG 3.35Å; L203-S207 VanDerWaalsContact CD2-CB 3.48Å; L203-S207 WeakPolarHBondContact CD2-OG 3.39Å; L203-G210 VanDerWaalsContact CD2-O 3.29Å; L203-G210 WeakPolarHBondContact CD2-O 3.33Å; L203-D211 VanDerWaalsContact CD2-C 3.42Å
204	T	97.7	Very high	96	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.154	C	C	.	.			trans	-135.2	170.7	172.9	76	0	0	0	0	108.9	A160 D177 I181 F206 S207	A160-T204 HydrophobicContact CB-CG2 3.94Å; D177-T204 WeakPolarHBondContact O-CB 3.19Å; D177-T204 WeakPolarHBondContact O-CG2 3.37Å; D177-T204 PolarHBondContact O-OG1 2.87Å; I181-T204 HydrophobicContact CD1-CG2 4.22Å; I181-T204 HydrophobicContact CG1-CG2 3.86Å; T204-F206 PolarHBondContact O-N 3.1Å; T204-F206 WeakPolarHBondContact OG1-CB 3.35Å; T204-F206 PolarHBondContact OG1-N 2.94Å; T204-F206 VanDerWaalsContact OG1-N 3.13Å; T204-S207 PolarHBondContact N-OG 2.85Å; T204-S207 PolarHBondContact O-N 3.32Å; T204-S207 VanDerWaalsContact O-N 3.16Å; T204-S207 PolarHBondContact O-OG 2.92Å
205	P	97.9	Very high	95.8	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.013	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-20.2	170.6	-31.7	40.9	0	0	0	114.6	S86 R88 V90 T96 V98	S86-P205 WeakPolarHBondContact O-CA 3.46Å; R88-P205 HydrophobicContact CG-CB 4.1Å; R88-P205 PolarHBondContact N-O 3.1Å; R88-P205 VanDerWaalsContact N-O 3.14Å; R88-P205 VanDerWaalsContact O-O 3.13Å; V90-P205 HydrophobicContact CG2-CB 3.76Å; T96-P205 HydrophobicContact CG2-CB 4.34Å; T96-P205 HydrophobicContact CG2-CG 3.71Å; V98-P205 HydrophobicContact CG1-CG 4.46Å
206	F	97.8	Very high	95.6	Very high	3 Å²	3	30.4 Å²	30.4	1%	0.013	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-0.3	-173.6	-52.4	-55	0	0	0	114.1	V90 T96 A160 H161 C162 Q174 L175 G178 T204 R208	V90-F206 HydrophobicContact CB-CE1 3.87Å; V90-F206 HydrophobicContact CB-CZ 4.11Å; V90-F206 HydrophobicContact CG1-CZ 4.44Å; V90-F206 HydrophobicContact CG2-CD1 4.49Å; V90-F206 HydrophobicContact CG2-CE1 3.51Å; V90-F206 HydrophobicContact CG2-CZ 3.74Å; T96-F206 HydrophobicContact CG2-CD2 4.49Å; T96-F206 HydrophobicContact CG2-CE2 3.49Å; T96-F206 VanDerWaalsContact CG2-CE2 3.49Å; T96-F206 HydrophobicContact CG2-CZ 3.71Å; A160-F206 HydrophobicContact CB-CD2 3.73Å; A160-F206 HydrophobicContact CB-CE2 3.66Å; H161-F206 WeakPolarHBondContact O-CE2 3.29Å; C162-F206 HydrophobicContact CB-CE1 3.73Å; C162-F206 HydrophobicContact CB-CE2 4.45Å; C162-F206 HydrophobicContact CB-CZ 3.51Å; Q174-F206 HydrophobicContact CG-CD1 4.39Å; L175-F206 VanDerWaalsContact O-CB 3.22Å; L175-F206 WeakPolarHBondContact O-CB 3.4Å; L175-F206 WeakPolarHBondContact O-CD1 3.14Å; G178-F206 VanDerWaalsContact CA-C 3.45Å; G178-F206 WeakPolarHBondContact CA-O 3.41Å; T204-F206 PolarHBondContact O-N 3.1Å; T204-F206 WeakPolarHBondContact OG1-CB 3.35Å; T204-F206 PolarHBondContact OG1-N 2.94Å; T204-F206 VanDerWaalsContact OG1-N 3.13Å; F206-R208 PolarHBondContact O-N 2.87Å; F206-R208 VanDerWaalsContact O-N 3.08Å
207	S	96.1	Very high	95.3	Very high	8 Å²	8	31 Å²	31	6%	0.056	15%	0.152	C	C	.	.			trans	-63.4	-17.4	-176	-57.7	0	0	0	0	113.7	G178 L203 T204 Q209 G210	G178-S207 WeakPolarHBondContact O-CA 3.41Å; G178-S207 VanDerWaalsContact O-CB 3.31Å; G178-S207 WeakPolarHBondContact O-CB 3.5Å; G178-S207 PolarHBondContact O-OG 3.41Å; L203-S207 WeakPolarHBondContact CA-OG 3.35Å; L203-S207 VanDerWaalsContact CD2-CB 3.48Å; L203-S207 WeakPolarHBondContact CD2-OG 3.39Å; T204-S207 PolarHBondContact N-OG 2.85Å; T204-S207 PolarHBondContact O-N 3.32Å; T204-S207 VanDerWaalsContact O-N 3.16Å; T204-S207 PolarHBondContact O-OG 2.92Å; S207-Q209 PolarHBondContact O-N 2.73Å; S207-G210 WeakPolarHBondContact CB-O 3.36Å; S207-G210 WeakPolarHBondContact O-CA 3.15Å; S207-G210 PolarHBondContact O-N 3.08Å
208	R	92.6	Very high	95	Very high	141 Å²	141	31.6 Å²	31.6	53%	0.532	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	-108.3	-176.5	-61.9	-177.2	-65.9	158	0.3	110.6	I87 F206	I87-R208 VanDerWaalsContact CD1-O 3.28Å; I87-R208 WeakPolarHBondContact CD1-O 3.08Å; F206-R208 PolarHBondContact O-N 2.87Å; F206-R208 VanDerWaalsContact O-N 3.08Å
209	Q	88.7	Confident	94.8	Very high	202 Å²	202	31.7 Å²	31.7	94%	0.944	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.8	0.3	176.1	-65.5	-178	-16.7	0	0	112.8	S207	S207-Q209 PolarHBondContact O-N 2.73Å
210	G	89	Confident	94.7	Very high	39 Å²	39	30.9 Å²	30.9	40%	0.402	15%	0.154	S	C	.	.	S	Bend	trans	-80.6	161	176.9	0	0	0	0	0	112.4	L203 S207 G212	L203-G210 VanDerWaalsContact CD2-O 3.29Å; L203-G210 WeakPolarHBondContact CD2-O 3.33Å; S207-G210 WeakPolarHBondContact CB-O 3.36Å; S207-G210 WeakPolarHBondContact O-CA 3.15Å; S207-G210 PolarHBondContact O-N 3.08Å; G210-G212 VanDerWaalsContact C-N 3.34Å
211	D	92.4	Very high	94.7	Very high	59 Å²	59	31.2 Å²	31.2	32%	0.316	16%	0.155	S	C	.	.			trans	-87.8	0.2	-179.9	65.9	-3.9	0	0	0	114.1	L203 R213 R251	L203-D211 VanDerWaalsContact CD2-C 3.42Å; D211-R213 PolarHBondContact O-N 3.41Å; D211-R213 PolarHBondContact OD1-N 3.27Å; D211-R251 VanDerWaalsContact CG-NH2 3.26Å; D211-R251 IonicContact OD1-CZ 3.91Å; D211-R251 IonicContact OD1-NH1 3.88Å; D211-R251 IonicContact OD1-NH2 3.3Å; D211-R251 PolarHBondContact OD1-NH2 3.06Å; D211-R251 IonicContact OD2-CZ 2.98Å; D211-R251 VanDerWaalsContact OD2-CZ 3.25Å; D211-R251 IonicContact OD2-NH1 2.8Å; D211-R251 PolarHBondContact OD2-NH1 3.17Å; D211-R251 IonicContact OD2-NH2 2.65Å; D211-R251 PolarHBondContact OD2-NH2 3.35Å
212	G	94.7	Very high	94.7	Very high	2 Å²	2	31.5 Å²	31.5	2%	0.021	16%	0.156	C	C	.	.	S	Bend	trans	71.9	10.1	-177.4	0	0	0	0	0	114.8	G178 G200 G202 G210	G178-G212 WeakPolarHBondContact O-CA 3.46Å; G200-G212 CarbonylContact C-O 3.57Å; G202-G212 CarbonylContact C-O 3.57Å; G202-G212 WeakPolarHBondContact CA-O 3.38Å; G202-G212 PolarHBondContact N-O 3.31Å; G202-G212 WeakPolarHBondContact O-CA 3.47Å; G210-G212 VanDerWaalsContact C-N 3.34Å
213	R	95.9	Very high	94.7	Very high	24 Å²	24	31.5 Å²	31.5	9%	0.091	16%	0.156	C	C	.	.			trans	-110.6	159.6	-178	-59.6	-57.4	-166.8	174.2	7.7	112.4	T101 K102 G200 D211 V249 R251	T101-R213 VanDerWaalsContact CG2-NH2 3.25Å; T101-R213 PolarHBondContact O-NH1 3.08Å; T101-R213 PolarHBondContact O-NH2 2.68Å; K102-R213 PolarHBondContact O-NH2 3.29Å; G200-R213 VanDerWaalsContact O-CD 3.24Å; G200-R213 WeakPolarHBondContact O-CD 3.46Å; G200-R213 PolarHBondContact O-NH1 3.28Å; D211-R213 PolarHBondContact O-N 3.41Å; D211-R213 PolarHBondContact OD1-N 3.27Å; R213-V249 HydrophobicContact CB-CG1 3.78Å; R213-V249 HydrophobicContact CG-CG1 3.84Å; R213-R251 VanDerWaalsContact C-NH2 3.3Å; R213-R251 PolarHBondContact O-NH2 3.05Å
214	K	95.4	Very high	94.8	Very high	61 Å²	61	28.1 Å²	28.1	27%	0.265	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	163.3	172.1	-67.1	-63.5	-177.9	174.3	0	109.7	K199 A264 S265	K199-K214 HydrophobicContact CG-CG 4.21Å; K214-A264 CarbonylContact O-C 3.59Å; K214-A264 WeakPolarHBondContact O-CA 3.33Å; K214-S265 PolarHBondContact O-N 2.72Å
215	V	94.6	Very high	94.8	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	159.7	-176.5	-67.4	0	0	0	0	110.8	R217 S218 S219 V249 R251 E262	V215-R217 VanDerWaalsContact C-N 3.33Å; V215-R217 HydrophobicContact CG2-CG 3.78Å; V215-R217 PolarHBondContact O-N 3.21Å; V215-S218 PolarHBondContact O-N 3.06Å; V215-S218 PolarHBondContact O-OG 2.94Å; V215-S219 WeakPolarHBondContact O-CB 3.43Å; V215-S219 PolarHBondContact O-N 3.39Å; V215-S219 PolarHBondContact O-OG 3.43Å; V215-V249 HydrophobicContact CG1-CG2 3.53Å; V215-R251 HydrophobicContact CG1-CG 3.66Å; V215-R251 HydrophobicContact CG2-CG 4.46Å; V215-E262 HydrophobicContact CB-CB 4.13Å; V215-E262 HydrophobicContact CG1-CB 3.59Å; V215-E262 HydrophobicContact CG1-CG 4.4Å
216	L	94	Very high	94.8	Very high	7 Å²	7	28 Å²	28	4%	0.037	14%	0.138	C	C	.	.	H	α-helix	trans	-54.1	-44.9	-170	-176.7	54.2	0	0	0	113.1	V109 S218 S219 L220 I242 S265 A652	V109-L216 HydrophobicContact CG1-CD1 4.18Å; V109-L216 HydrophobicContact CG2-CD1 3.84Å; L216-S218 PolarHBondContact O-N 3.29Å; L216-S219 PolarHBondContact O-N 3.38Å; L216-L220 WeakPolarHBondContact O-CB 3.21Å; L216-L220 PolarHBondContact O-N 2.95Å; L216-I242 HydrophobicContact CD1-CG2 4.15Å; L216-S265 WeakPolarHBondContact CA-OG 3.34Å; L216-S265 PolarHBondContact N-OG 2.72Å; L216-A652 HydrophobicContact CD2-CB 3.94Å; L216-A652 HydrophobicContact CG-CB 4.48Å
217	R	91.4	Very high	94.9	Very high	11 Å²	11	27.9 Å²	27.9	4%	0.042	14%	0.137	C	C	.	.	H	α-helix	trans	-54.8	-52.6	178.9	59.6	-174.1	169.7	95.8	5.8	113.6	V215 L220 R221 E262 I649 S705	V215-R217 VanDerWaalsContact C-N 3.33Å; V215-R217 HydrophobicContact CG2-CG 3.78Å; V215-R217 PolarHBondContact O-N 3.21Å; R217-L220 PolarHBondContact O-N 2.8Å; R217-R221 PolarHBondContact O-N 2.8Å; R217-E262 WeakPolarHBondContact CD-OE1 3.36Å; R217-E262 IonicContact CZ-OE2 2.91Å; R217-E262 IonicContact NE-OE1 3.2Å; R217-E262 PolarHBondContact NE-OE1 3.42Å; R217-E262 IonicContact NE-OE2 3.41Å; R217-E262 PolarHBondContact NE-OE2 3.09Å; R217-E262 VanDerWaalsContact NE-OE2 3.08Å; R217-E262 IonicContact NH2-OE2 2.75Å; R217-E262 PolarHBondContact NH2-OE2 3.36Å; R217-I649 HydrophobicContact CB-CD1 3.92Å; R217-I649 HydrophobicContact CB-CG1 4.21Å; R217-I649 HydrophobicContact CB-CG2 3.7Å; R217-S705 VanDerWaalsContact NH1-C 3.29Å; R217-S705 PolarHBondContact NH1-O 2.99Å; R217-S705 PolarHBondContact NH1-OG 2.69Å
218	S	91.7	Very high	95	Very high	14 Å²	14	27.6 Å²	27.6	10%	0.098	14%	0.136	C	C	.	.	H	α-helix	trans	-67.8	-40.3	-179.2	64.1	0	0	0	0	112	V215 L216 L220 E222 S706	V215-S218 PolarHBondContact O-N 3.06Å; V215-S218 PolarHBondContact O-OG 2.94Å; L216-S218 PolarHBondContact O-N 3.29Å; S218-L220 VanDerWaalsContact C-N 3.33Å; S218-L220 PolarHBondContact O-N 3.23Å; S218-E222 WeakPolarHBondContact O-CB 3.26Å; S218-E222 PolarHBondContact O-N 3.49Å; S218-S706 WeakPolarHBondContact CA-OXT 3.2Å; S218-S706 WeakPolarHBondContact CB-OXT 3.28Å; S218-S706 PolarHBondContact N-OXT 2.8Å
219	S	95.8	Very high	95.3	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.014	11%	0.11	C	C	.	.	H	α-helix	trans	-63.5	-40.2	176	-74.5	0	0	0	0	112	V215 L216 F223 T267	V215-S219 WeakPolarHBondContact O-CB 3.43Å; V215-S219 PolarHBondContact O-N 3.39Å; V215-S219 PolarHBondContact O-OG 3.43Å; L216-S219 PolarHBondContact O-N 3.38Å; S219-F223 WeakPolarHBondContact O-CB 3.24Å; S219-F223 PolarHBondContact O-N 3.35Å; S219-F223 VanDerWaalsContact O-N 3.08Å; S219-T267 VanDerWaalsContact CA-OG1 3.29Å; S219-T267 WeakPolarHBondContact CA-OG1 3.44Å; S219-T267 WeakPolarHBondContact CB-OG1 3.14Å; S219-T267 PolarHBondContact O-OG1 3.04Å; S219-T267 PolarHBondContact OG-OG1 2.93Å; S219-T267 VanDerWaalsContact OG-OG1 3.13Å
220	L	95.8	Very high	95.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-69.5	-44.6	179.9	-171.7	57.5	0	0	0	112	L110 L216 R217 S218 F223 L224 I242 A648 I649 A652 A660	L110-L220 HydrophobicContact CD1-CD1 3.81Å; L216-L220 WeakPolarHBondContact O-CB 3.21Å; L216-L220 PolarHBondContact O-N 2.95Å; R217-L220 PolarHBondContact O-N 2.8Å; S218-L220 VanDerWaalsContact C-N 3.33Å; S218-L220 PolarHBondContact O-N 3.23Å; L220-F223 PolarHBondContact O-N 2.8Å; L220-L224 HydrophobicContact CD1-CD1 4.03Å; L220-L224 HydrophobicContact CD1-CG 4.14Å; L220-L224 HydrophobicContact CG-CD1 3.91Å; L220-L224 HydrophobicContact CG-CG 4.46Å; L220-L224 WeakPolarHBondContact O-CB 3.44Å; L220-L224 VanDerWaalsContact O-CG 3.28Å; L220-L224 WeakPolarHBondContact O-CG 3.48Å; L220-L224 PolarHBondContact O-N 3.26Å; L220-I242 HydrophobicContact CB-CD1 4.33Å; L220-I242 HydrophobicContact CD1-CD1 3.52Å; L220-A648 HydrophobicContact CD2-CB 4.18Å; L220-I649 HydrophobicContact CB-CG1 4.45Å; L220-I649 HydrophobicContact CD2-CG1 3.97Å; L220-A652 HydrophobicContact CD2-CB 4.1Å; L220-A660 HydrophobicContact CD1-CB 4.11Å; L220-A660 HydrophobicContact CD2-CB 4.11Å
221	R	96	Very high	96.2	Very high	8 Å²	8	16.4 Å²	16.4	3%	0.03	7%	0.074	C	C	.	.	H	α-helix	trans	-60.3	-45.9	174.7	-78.5	176	60	78.4	13	112.3	R217 C225 F375 N642 A645 I649 S706	R217-R221 PolarHBondContact O-N 2.8Å; R221-C225 VanDerWaalsContact O-CB 3.27Å; R221-C225 WeakPolarHBondContact O-CB 3.28Å; R221-C225 PolarHBondContact O-N 2.92Å; R221-F375 HydrophobicContact CB-CE1 4.05Å; R221-F375 HydrophobicContact CB-CZ 4.16Å; R221-F375 PolarHBondContact NH2-O 3.45Å; R221-N642 PolarHBondContact NH1-OD1 3.19Å; R221-N642 PolarHBondContact NH2-OD1 3.19Å; R221-A645 HydrophobicContact CG-CB 4.15Å; R221-I649 HydrophobicContact CG-CD1 3.83Å; R221-S706 WeakPolarHBondContact CD-OXT 3.39Å
222	E	97	Very high	96.5	Very high	6 Å²	6	14.3 Å²	14.3	3%	0.028	6%	0.062	C	C	.	.	H	α-helix	trans	-63	-45.2	179.3	175.8	161	-162	0	0	112.2	K199 S218 S226 R269 Y372	K199-E222 WeakPolarHBondContact CD-OE2 3.47Å; K199-E222 WeakPolarHBondContact CE-OE2 3.49Å; K199-E222 IonicContact NZ-OE1 2.61Å; K199-E222 PolarHBondContact NZ-OE1 3.31Å; K199-E222 IonicContact NZ-OE2 2.92Å; K199-E222 PolarHBondContact NZ-OE2 3.13Å; S218-E222 WeakPolarHBondContact O-CB 3.26Å; S218-E222 PolarHBondContact O-N 3.49Å; E222-S226 VanDerWaalsContact O-CB 3.23Å; E222-S226 WeakPolarHBondContact O-CB 3.5Å; E222-S226 PolarHBondContact O-N 2.61Å; E222-S226 PolarHBondContact O-OG 3Å; E222-R269 WeakPolarHBondContact OE1-CD 3.4Å; E222-R269 IonicContact OE1-CZ 2.88Å; E222-R269 IonicContact OE1-NE 3.18Å; E222-R269 PolarHBondContact OE1-NE 3.23Å; E222-R269 IonicContact OE1-NH2 2.98Å; E222-Y372 HydrophobicContact CG-CD2 4.07Å
223	F	98	Very high	96.6	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60.8	-53.4	176.6	177.9	-85.2	0	0	0	111.9	L110 S219 L220 C225 S226 E227 A239 I242 F664	L110-F223 HydrophobicContact CB-CE1 3.92Å; L110-F223 HydrophobicContact CB-CE2 4.49Å; L110-F223 HydrophobicContact CB-CZ 3.92Å; L110-F223 HydrophobicContact CD1-CD1 4.07Å; L110-F223 HydrophobicContact CD1-CE1 3.83Å; S219-F223 WeakPolarHBondContact O-CB 3.24Å; S219-F223 PolarHBondContact O-N 3.35Å; S219-F223 VanDerWaalsContact O-N 3.08Å; L220-F223 PolarHBondContact O-N 2.8Å; F223-C225 VanDerWaalsContact C-N 3.27Å; F223-C225 PolarHBondContact O-N 3.04Å; F223-S226 PolarHBondContact O-N 3.46Å; F223-E227 HydrophobicContact CE1-CG 4.5Å; F223-E227 WeakPolarHBondContact O-CG 3.39Å; F223-E227 PolarHBondContact O-N 3.18Å; F223-A239 HydrophobicContact CB-CB 4.02Å; F223-A239 HydrophobicContact CD2-CB 3.47Å; F223-A239 VanDerWaalsContact CD2-CB 3.47Å; F223-A239 HydrophobicContact CE2-CB 4.19Å; F223-A239 WeakPolarHBondContact CE2-O 3.43Å; F223-A239 HydrophobicContact CG-CB 3.95Å; F223-I242 HydrophobicContact CB-CD1 3.31Å; F223-I242 HydrophobicContact CB-CG1 3.57Å; F223-I242 HydrophobicContact CD1-CD1 3.89Å; F223-I242 HydrophobicContact CD2-CD1 3.93Å; F223-I242 HydrophobicContact CD2-CG1 3.73Å; F223-I242 HydrophobicContact CG-CD1 3.45Å; F223-I242 VanDerWaalsContact CG-CD1 3.45Å; F223-I242 HydrophobicContact CG-CG1 3.74Å; F223-F664 AromaticContact CE1-CD2 3.62Å; F223-F664 HydrophobicContact CE1-CD2 3.62Å; F223-F664 AromaticContact CE1-CE2 3.84Å; F223-F664 HydrophobicContact CE1-CE2 3.84Å; F223-F664 HydrophobicContact CE1-CG 4.1Å; F223-F664 HydrophobicContact CE1-CZ 4.48Å; F223-F664 HydrophobicContact CZ-CD2 4.32Å; F223-F664 HydrophobicContact CZ-CE2 4.12Å; F223-F664 HydrophobicContact CZ-CZ 4.4Å
224	L	97.8	Very high	96.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-60.5	-40	-177.4	-71	170.9	0	0	0	111	L110 L220 A228 L640 L663 F664 L667	L110-L224 HydrophobicContact CD1-CD2 4.46Å; L220-L224 HydrophobicContact CD1-CD1 4.03Å; L220-L224 HydrophobicContact CD1-CG 4.14Å; L220-L224 HydrophobicContact CG-CD1 3.91Å; L220-L224 HydrophobicContact CG-CG 4.46Å; L220-L224 WeakPolarHBondContact O-CB 3.44Å; L220-L224 VanDerWaalsContact O-CG 3.28Å; L220-L224 WeakPolarHBondContact O-CG 3.48Å; L220-L224 PolarHBondContact O-N 3.26Å; L224-A228 WeakPolarHBondContact O-CB 3.47Å; L224-A228 PolarHBondContact O-N 2.74Å; L224-L640 HydrophobicContact CB-CD1 3.98Å; L224-L640 HydrophobicContact CB-CD2 3.67Å; L224-L640 HydrophobicContact CD1-CD1 4.21Å; L224-L663 HydrophobicContact CD1-CD2 3.83Å; L224-L663 HydrophobicContact CD2-CG 4.42Å; L224-F664 HydrophobicContact CD2-CB 3.9Å; L224-L667 HydrophobicContact CB-CD1 4.42Å; L224-L667 HydrophobicContact CD2-CD1 4.21Å
225	C	98.3	Very high	96.9	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-74.9	-38	-178.8	-161	0	0	0	0	112.7	R221 F223 E227 A228 M229 Y372 F375 L640	R221-C225 VanDerWaalsContact O-CB 3.27Å; R221-C225 WeakPolarHBondContact O-CB 3.28Å; R221-C225 PolarHBondContact O-N 2.92Å; F223-C225 VanDerWaalsContact C-N 3.27Å; F223-C225 PolarHBondContact O-N 3.04Å; C225-E227 VanDerWaalsContact C-N 3.29Å; C225-E227 PolarHBondContact O-N 3Å; C225-A228 PolarHBondContact O-N 3.38Å; C225-M229 WeakPolarHBondContact O-CB 3.44Å; C225-M229 WeakPolarHBondContact O-CG 3.45Å; C225-M229 PolarHBondContact O-N 3.14Å; C225-Y372 HydrophobicContact CB-CD1 3.62Å; C225-Y372 HydrophobicContact CB-CE1 3.85Å; C225-Y372 HydrophobicContact CB-CG 4.04Å; C225-Y372 WeakPolarHBondContact SG-CD1 3.46Å; C225-Y372 WeakPolarHBondContact SG-CE1 3.49Å; C225-F375 HydrophobicContact CB-CD1 4.38Å; C225-F375 HydrophobicContact CB-CD2 4.34Å; C225-F375 HydrophobicContact CB-CE1 3.71Å; C225-F375 HydrophobicContact CB-CE2 3.69Å; C225-F375 HydrophobicContact CB-CZ 3.34Å; C225-F375 VanDerWaalsContact SG-CD2 3.58Å; C225-F375 WeakPolarHBondContact SG-CE2 3.45Å; C225-L640 VanDerWaalsContact CA-CD2 3.47Å; C225-L640 HydrophobicContact CB-CD2 3.62Å; C225-L640 VanDerWaalsContact N-CD2 3.33Å
226	S	98.5	Very high	97.1	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-55.2	-49.9	173.9	-64.4	0	0	0	0	110.1	E222 F223 M229 Y230 T236 T237 Y372	E222-S226 VanDerWaalsContact O-CB 3.23Å; E222-S226 WeakPolarHBondContact O-CB 3.5Å; E222-S226 PolarHBondContact O-N 2.61Å; E222-S226 PolarHBondContact O-OG 3Å; F223-S226 PolarHBondContact O-N 3.46Å; S226-M229 PolarHBondContact O-N 3.28Å; S226-Y230 PolarHBondContact O-N 3.04Å; S226-T236 VanDerWaalsContact O-CG2 3.25Å; S226-T236 WeakPolarHBondContact O-CG2 3.41Å; S226-T237 VanDerWaalsContact CB-O 3.24Å; S226-T237 WeakPolarHBondContact CB-O 3.32Å; S226-Y372 WeakPolarHBondContact OG-CD2 3.12Å; S226-Y372 WeakPolarHBondContact OG-CE2 3.28Å
227	E	98.5	Very high	97.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-75.3	-38.5	-177.2	-60.4	-60.8	103.8	0	0	112	S112 F223 C225 M229 Y230 Y231 R238 A239 F664	S112-E227 WeakPolarHBondContact CB-OE2 3.22Å; S112-E227 PolarHBondContact OG-OE2 3.06Å; F223-E227 HydrophobicContact CE1-CG 4.5Å; F223-E227 WeakPolarHBondContact O-CG 3.39Å; F223-E227 PolarHBondContact O-N 3.18Å; C225-E227 VanDerWaalsContact C-N 3.29Å; C225-E227 PolarHBondContact O-N 3Å; E227-M229 VanDerWaalsContact C-N 3.29Å; E227-M229 PolarHBondContact O-N 3.29Å; E227-Y230 WeakPolarHBondContact O-CB 3.27Å; E227-Y230 PolarHBondContact O-N 3.45Å; E227-Y230 VanDerWaalsContact O-N 3.12Å; E227-Y231 HydrophobicContact CB-CE2 4.39Å; E227-Y231 WeakPolarHBondContact O-CD2 3.21Å; E227-Y231 PolarHBondContact O-N 3.49Å; E227-R238 WeakPolarHBondContact OE1-CA 3.44Å; E227-R238 IonicContact OE1-CZ 3.06Å; E227-R238 IonicContact OE1-NE 3.72Å; E227-R238 PolarHBondContact OE1-NE 2.84Å; E227-R238 IonicContact OE1-NH2 3.31Å; E227-R238 IonicContact OE2-CZ 3.62Å; E227-R238 IonicContact OE2-NE 2.7Å; E227-R238 PolarHBondContact OE2-NE 3.3Å; E227-R238 IonicContact OE2-NH2 2.72Å; E227-R238 PolarHBondContact OE2-NH2 3.38Å; E227-A239 HydrophobicContact CG-CB 4.45Å; E227-A239 PolarHBondContact OE1-N 2.8Å; E227-F664 HydrophobicContact CB-CD2 4.26Å; E227-F664 HydrophobicContact CB-CE2 3.71Å; E227-F664 HydrophobicContact CG-CE2 3.83Å
228	A	98.2	Very high	97.7	Very high	3 Å²	3	15 Å²	15	3%	0.025	9%	0.085	C	C	.	.	H	α-helix	trans	-56.1	-44.1	173.1	0	0	0	0	0	112	L224 C225 Y230 Y231 L232 L640 L667	L224-A228 WeakPolarHBondContact O-CB 3.47Å; L224-A228 PolarHBondContact O-N 2.74Å; C225-A228 PolarHBondContact O-N 3.38Å; A228-Y230 VanDerWaalsContact C-N 3.33Å; A228-Y230 PolarHBondContact O-N 3.2Å; A228-Y231 PolarHBondContact O-N 2.82Å; A228-L232 WeakPolarHBondContact O-CB 3.4Å; A228-L232 WeakPolarHBondContact O-CG 3.37Å; A228-L232 PolarHBondContact O-N 3.11Å; A228-L640 HydrophobicContact CB-CB 4.34Å; A228-L667 HydrophobicContact CB-CB 4.36Å; A228-L667 HydrophobicContact CB-CD1 4.27Å; A228-L667 HydrophobicContact CB-CD2 3.97Å; A228-L667 HydrophobicContact CB-CG 4.42Å
229	M	98.7	Very high	98	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-64.8	-38.2	178.3	-69.4	-67.4	-84.5	0	0	111.9	C225 S226 E227 L232 G233 I234 T236 W348 F353 T369 Y372 F377	C225-M229 WeakPolarHBondContact O-CB 3.44Å; C225-M229 WeakPolarHBondContact O-CG 3.45Å; C225-M229 PolarHBondContact O-N 3.14Å; S226-M229 PolarHBondContact O-N 3.28Å; E227-M229 VanDerWaalsContact C-N 3.29Å; E227-M229 PolarHBondContact O-N 3.29Å; M229-L232 PolarHBondContact O-N 3.28Å; M229-L232 HydrophobicContact SD-CD1 4.39Å; M229-G233 PolarHBondContact O-N 3.15Å; M229-I234 CarbonylContact C-O 3.59Å; M229-I234 HydrophobicContact CB-CB 4.49Å; M229-I234 HydrophobicContact CE-CB 3.94Å; M229-I234 HydrophobicContact CE-CD1 3.88Å; M229-I234 HydrophobicContact CE-CG1 4.5Å; M229-I234 HydrophobicContact CE-CG2 3.52Å; M229-I234 PolarHBondContact O-N 2.67Å; M229-I234 VanDerWaalsContact O-O 3.12Å; M229-I234 HydrophobicContact SD-CB 4.41Å; M229-I234 HydrophobicContact SD-CD1 3.98Å; M229-T236 HydrophobicContact CB-CG2 3.92Å; M229-W348 VanDerWaalsContact CE-CD1 3.43Å; M229-F353 HydrophobicContact CE-CD1 4.05Å; M229-F353 HydrophobicContact CE-CD2 4.43Å; M229-F353 HydrophobicContact CE-CE1 4.22Å; M229-F353 HydrophobicContact CE-CG 4.15Å; M229-F353 HydrophobicContact CE-CZ 4.49Å; M229-F353 HydrophobicContact SD-CD2 4.25Å; M229-F353 HydrophobicContact SD-CG 4.39Å; M229-T369 HydrophobicContact CE-CG2 4.15Å; M229-Y372 HydrophobicContact CG-CE1 4.22Å; M229-Y372 WeakPolarHBondContact CG-OH 3.43Å; M229-F377 HydrophobicContact SD-CE1 4.42Å; M229-F377 HydrophobicContact SD-CZ 3.72Å
230	Y	98.7	Very high	98.1	Very high	101 Å²	101	14.2 Å²	14.2	40%	0.396	8%	0.079	S	C	.	.	H	α-helix	trans	-61.1	-50.9	175.5	171	-105.1	0	0	0	111.8	S226 E227 A228 L232 G233 R238	S226-Y230 PolarHBondContact O-N 3.04Å; E227-Y230 WeakPolarHBondContact O-CB 3.27Å; E227-Y230 PolarHBondContact O-N 3.45Å; E227-Y230 VanDerWaalsContact O-N 3.12Å; A228-Y230 VanDerWaalsContact C-N 3.33Å; A228-Y230 PolarHBondContact O-N 3.2Å; Y230-L232 VanDerWaalsContact C-N 3.27Å; Y230-L232 PolarHBondContact O-N 3.27Å; Y230-G233 WeakPolarHBondContact O-CA 3.18Å; Y230-G233 PolarHBondContact O-N 3.2Å; Y230-R238 VanDerWaalsContact CD1-NH2 3.3Å; Y230-R238 VanDerWaalsContact CZ-NH1 3.25Å
231	Y	98.5	Very high	98.2	Very high	46 Å²	46	14.2 Å²	14.2	18%	0.18	8%	0.079	C	C	.	.	H	α-helix	trans	-72	-19.9	-179.2	-68.4	-72.4	0	0	0	113.5	D114 E227 A228 G233 L667 T668 P670 F671	D114-Y231 PolarHBondContact OD2-OH 3.36Å; E227-Y231 HydrophobicContact CB-CE2 4.39Å; E227-Y231 WeakPolarHBondContact O-CD2 3.21Å; E227-Y231 PolarHBondContact O-N 3.49Å; A228-Y231 PolarHBondContact O-N 2.82Å; Y231-G233 PolarHBondContact O-N 3.24Å; Y231-L667 VanDerWaalsContact CB-O 3.29Å; Y231-L667 WeakPolarHBondContact CB-O 3.48Å; Y231-T668 WeakPolarHBondContact CD1-O 3.43Å; Y231-T668 VanDerWaalsContact CD2-CA 3.49Å; Y231-T668 HydrophobicContact CD2-CG2 4.14Å; Y231-T668 HydrophobicContact CE1-CG2 4.45Å; Y231-T668 HydrophobicContact CE2-CG2 3.47Å; Y231-T668 VanDerWaalsContact CE2-CG2 3.47Å; Y231-P670 WeakPolarHBondContact O-CG 3.3Å; Y231-F671 WeakPolarHBondContact O-CE2 3.33Å
232	L	98.5	Very high	98.3	Very high	15 Å²	15	13.9 Å²	13.9	8%	0.079	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-7.2	165.7	-72.7	170.9	0	0	0	113.2	A228 M229 Y230 I234 F377 P636 P670 F671	A228-L232 WeakPolarHBondContact O-CB 3.4Å; A228-L232 WeakPolarHBondContact O-CG 3.37Å; A228-L232 PolarHBondContact O-N 3.11Å; M229-L232 PolarHBondContact O-N 3.28Å; M229-L232 HydrophobicContact SD-CD1 4.39Å; Y230-L232 VanDerWaalsContact C-N 3.27Å; Y230-L232 PolarHBondContact O-N 3.27Å; L232-I234 HydrophobicContact CB-CD1 4.3Å; L232-I234 HydrophobicContact CB-CG1 4.14Å; L232-F377 HydrophobicContact CD1-CE1 3.87Å; L232-F377 HydrophobicContact CD1-CZ 3.92Å; L232-P636 HydrophobicContact CD2-CB 3.66Å; L232-P636 HydrophobicContact CD2-CG 3.96Å; L232-P670 HydrophobicContact CD2-CB 4.04Å; L232-P670 HydrophobicContact CD2-CG 4.1Å; L232-P670 HydrophobicContact CG-CG 4.46Å; L232-F671 HydrophobicContact CD2-CE1 4.24Å; L232-F671 HydrophobicContact CD2-CZ 3.92Å
233	G	98.2	Very high	98.3	Very high	48 Å²	48	13.6 Å²	13.6	50%	0.495	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	24.6	-176.3	0	0	0	0	0	113.5	M229 Y230 Y231	M229-G233 PolarHBondContact O-N 3.15Å; Y230-G233 WeakPolarHBondContact O-CA 3.18Å; Y230-G233 PolarHBondContact O-N 3.2Å; Y231-G233 PolarHBondContact O-N 3.24Å
234	I	98.8	Very high	98.2	Very high	7 Å²	7	13.6 Å²	13.6	4%	0.036	8%	0.077	C	C	.	.			trans	-101.1	128.5	178.3	-54.4	-177.4	0	0	0	109.3	M229 L232 T236 L344 L347 V351	M229-I234 CarbonylContact C-O 3.59Å; M229-I234 HydrophobicContact CB-CB 4.49Å; M229-I234 HydrophobicContact CE-CB 3.94Å; M229-I234 HydrophobicContact CE-CD1 3.88Å; M229-I234 HydrophobicContact CE-CG1 4.5Å; M229-I234 HydrophobicContact CE-CG2 3.52Å; M229-I234 PolarHBondContact O-N 2.67Å; M229-I234 VanDerWaalsContact O-O 3.12Å; M229-I234 HydrophobicContact SD-CB 4.41Å; M229-I234 HydrophobicContact SD-CD1 3.98Å; L232-I234 HydrophobicContact CB-CD1 4.3Å; L232-I234 HydrophobicContact CB-CG1 4.14Å; I234-T236 PolarHBondContact O-N 3.06Å; I234-L344 HydrophobicContact CG2-CD1 3.89Å; I234-L347 HydrophobicContact CD1-CB 4.21Å; I234-L347 HydrophobicContact CG1-CB 4.09Å; I234-L347 HydrophobicContact CG2-CB 4.11Å; I234-L347 HydrophobicContact CG2-CD1 4.37Å; I234-V351 HydrophobicContact CD1-CB 4.48Å; I234-V351 HydrophobicContact CD1-CG1 4.07Å; I234-V351 HydrophobicContact CD1-CG2 3.59Å
235	P	98.8	Very high	98.2	Very high	45 Å²	45	13.6 Å²	13.6	29%	0.292	8%	0.077	S	C	.	.			trans	-56.2	130.4	179.3	-25	33.7	0	0	0	112.4	L344 G367 L368 T369	P235-L344 HydrophobicContact CB-CD1 4.21Å; P235-L344 HydrophobicContact CG-CD1 4.45Å; P235-L344 WeakPolarHBondContact O-CD1 3.19Å; P235-G367 WeakPolarHBondContact CB-O 3.21Å; P235-L368 HydrophobicContact CB-CD2 3.87Å; P235-T369 WeakPolarHBondContact O-CB 3.3Å; P235-T369 PolarHBondContact O-N 3.18Å; P235-T369 PolarHBondContact O-OG1 2.94Å
236	T	98.9	Very high	98.1	Very high	12 Å²	12	16.5 Å²	16.5	7%	0.074	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-157.2	157.1	-173.6	-177	0	0	0	0	112.7	S226 M229 I234 T369 Y372	S226-T236 VanDerWaalsContact O-CG2 3.25Å; S226-T236 WeakPolarHBondContact O-CG2 3.41Å; M229-T236 HydrophobicContact CB-CG2 3.92Å; I234-T236 PolarHBondContact O-N 3.06Å; T236-T369 WeakPolarHBondContact CA-O 3.36Å; T236-T369 PolarHBondContact OG1-O 3.36Å; T236-Y372 WeakPolarHBondContact CB-OH 3.35Å; T236-Y372 PolarHBondContact OG1-OH 2.95Å
237	T	98.8	Very high	98	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.098	C	C	.	.			trans	-64.7	139.5	158	62.3	0	0	0	0	110.3	S226 A271 F274 L368 T369 I370	S226-T237 VanDerWaalsContact CB-O 3.24Å; S226-T237 WeakPolarHBondContact CB-O 3.32Å; T237-A271 HydrophobicContact CG2-CB 4.02Å; T237-F274 HydrophobicContact CG2-CD1 4.31Å; T237-F274 HydrophobicContact CG2-CE1 3.81Å; T237-L368 HydrophobicContact CG2-CD1 4.37Å; T237-T369 PolarHBondContact N-O 3.4Å; T237-I370 HydrophobicContact CG2-CB 3.98Å; T237-I370 HydrophobicContact CG2-CD1 4.08Å; T237-I370 HydrophobicContact CG2-CG1 3.75Å
238	R	98.7	Very high	97.9	Very high	8 Å²	8	22.9 Å²	22.9	3%	0.03	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	156.9	178.4	-58.3	-60.4	-59	-80.2	1.7	111.1	A115 L118 E227 Y230 R269 V270	A115-R238 HydrophobicContact CB-CB 3.99Å; L118-R238 HydrophobicContact CD1-CB 4.4Å; L118-R238 HydrophobicContact CD1-CG 3.91Å; E227-R238 WeakPolarHBondContact OE1-CA 3.44Å; E227-R238 IonicContact OE1-CZ 3.06Å; E227-R238 IonicContact OE1-NE 3.72Å; E227-R238 PolarHBondContact OE1-NE 2.84Å; E227-R238 IonicContact OE1-NH2 3.31Å; E227-R238 IonicContact OE2-CZ 3.62Å; E227-R238 IonicContact OE2-NE 2.7Å; E227-R238 PolarHBondContact OE2-NE 3.3Å; E227-R238 IonicContact OE2-NH2 2.72Å; E227-R238 PolarHBondContact OE2-NH2 3.38Å; Y230-R238 VanDerWaalsContact CD1-NH2 3.3Å; Y230-R238 VanDerWaalsContact CZ-NH1 3.25Å; R238-R269 CarbonylContact O-C 3.54Å; R238-R269 WeakPolarHBondContact O-CA 3.42Å; R238-V270 HydrophobicContact CB-CB 4.21Å; R238-V270 PolarHBondContact N-O 3.13Å; R238-V270 PolarHBondContact O-N 2.67Å
239	A	98.4	Very high	97.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	109.9	175.3	0	0	0	0	0	110.1	S112 F223 E227 T267 S268	S112-A239 WeakPolarHBondContact CB-O 3.29Å; F223-A239 HydrophobicContact CB-CB 4.02Å; F223-A239 HydrophobicContact CD2-CB 3.47Å; F223-A239 VanDerWaalsContact CD2-CB 3.47Å; F223-A239 HydrophobicContact CE2-CB 4.19Å; F223-A239 WeakPolarHBondContact CE2-O 3.43Å; F223-A239 HydrophobicContact CG-CB 3.95Å; E227-A239 HydrophobicContact CG-CB 4.45Å; E227-A239 PolarHBondContact OE1-N 2.8Å; A239-T267 HydrophobicContact CB-CG2 4.33Å; A239-S268 CarbonylContact C-O 3.53Å; A239-S268 WeakPolarHBondContact CA-O 3.35Å
240	A	97.5	Very high	97.3	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-36	-176.2	0	0	0	0	0	112.9	F111 S112 A115 L116 S268 V270	F111-A240 WeakPolarHBondContact CA-O 3.37Å; S112-A240 PolarHBondContact N-O 2.81Å; A115-A240 HydrophobicContact CB-CB 4.19Å; L116-A240 HydrophobicContact CD2-CB 3.89Å; L116-A240 HydrophobicContact CG-CB 4.18Å; A240-S268 PolarHBondContact N-O 3.36Å; A240-V270 HydrophobicContact CB-CG2 3.85Å
241	S	97.1	Very high	96.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	159.8	-180	85.9	0	0	0	0	113.9	L110 F111 T267 S268	L110-S241 WeakPolarHBondContact O-CA 3.41Å; F111-S241 VanDerWaalsContact CE1-CB 3.43Å; S241-T267 WeakPolarHBondContact O-CA 3.5Å; S241-S268 PolarHBondContact O-N 3.34Å; S241-S268 PolarHBondContact OG-OG 2.83Å
242	I	97.8	Very high	95.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.2	157.7	-57.7	153	0	0	0	108.6	V109 L110 L216 L220 F223 I266	V109-I242 HydrophobicContact CB-CB 4.05Å; V109-I242 HydrophobicContact CB-CG2 3.97Å; V109-I242 WeakPolarHBondContact CB-O 3.37Å; V109-I242 HydrophobicContact CG1-CG2 4.5Å; V109-I242 HydrophobicContact CG2-CG2 3.99Å; V109-I242 PolarHBondContact N-O 3.43Å; L110-I242 HydrophobicContact CB-CD1 4.44Å; L110-I242 HydrophobicContact CD1-CD1 4.5Å; L110-I242 PolarHBondContact N-O 2.81Å; L110-I242 PolarHBondContact O-N 3.05Å; L216-I242 HydrophobicContact CD1-CG2 4.15Å; L220-I242 HydrophobicContact CB-CD1 4.33Å; L220-I242 HydrophobicContact CD1-CD1 3.52Å; F223-I242 HydrophobicContact CB-CD1 3.31Å; F223-I242 HydrophobicContact CB-CG1 3.57Å; F223-I242 HydrophobicContact CD1-CD1 3.89Å; F223-I242 HydrophobicContact CD2-CD1 3.93Å; F223-I242 HydrophobicContact CD2-CG1 3.73Å; F223-I242 HydrophobicContact CG-CD1 3.45Å; F223-I242 VanDerWaalsContact CG-CD1 3.45Å; F223-I242 HydrophobicContact CG-CG1 3.74Å; I242-I266 WeakPolarHBondContact CA-O 3.41Å
243	I	97.5	Very high	94.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	127.8	176.4	-68.4	161.5	0	0	0	108.1	I103 P106 R107 V144 L147 S265 I266	I103-I243 HydrophobicContact CD1-CG2 4.27Å; P106-I243 HydrophobicContact CB-CG2 3.66Å; R107-I243 CarbonylContact O-C 3.48Å; R107-I243 WeakPolarHBondContact O-CA 3.27Å; V144-I243 HydrophobicContact CB-CD1 4.31Å; V144-I243 HydrophobicContact CG1-CD1 4.08Å; V144-I243 HydrophobicContact CG1-CG1 4.21Å; V144-I243 HydrophobicContact CG1-CG2 3.93Å; V144-I243 HydrophobicContact CG2-CD1 4.37Å; V144-I243 HydrophobicContact CG2-CG1 4.38Å; V144-I243 WeakPolarHBondContact O-CD1 3.43Å; L147-I243 HydrophobicContact CB-CD1 3.46Å; L147-I243 VanDerWaalsContact CB-CD1 3.46Å; I243-S265 CarbonylContact O-C 3.44Å; I243-S265 WeakPolarHBondContact O-CA 3.46Å; I243-S265 WeakPolarHBondContact O-CB 3.16Å; I243-I266 PolarHBondContact N-O 3.46Å; I243-I266 PolarHBondContact O-N 3.33Å
244	T	96.9	Very high	93.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	174.4	171.2	-162.3	0	0	0	0	110.5	P106 R107 V109 S265 Y657	P106-T244 CarbonylContact C-O 3.58Å; P106-T244 WeakPolarHBondContact CA-O 3.48Å; R107-T244 HydrophobicContact CB-CG2 4.33Å; R107-T244 PolarHBondContact N-O 3.03Å; R107-T244 PolarHBondContact O-N 2.82Å; V109-T244 HydrophobicContact CG2-CG2 3.86Å; T244-S265 PolarHBondContact OG1-OG 3.46Å; T244-Y657 WeakPolarHBondContact CG2-OH 3.2Å
245	S	97	Very high	91.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	177.6	-175.1	68.6	0	0	0	0	112.4	D104 T247 K263 A264	D104-S245 VanDerWaalsContact O-CB 3.26Å; D104-S245 WeakPolarHBondContact O-CB 3.33Å; S245-T247 PolarHBondContact OG-N 3.32Å; S245-K263 WeakPolarHBondContact O-CD 3.41Å; S245-K263 WeakPolarHBondContact O-CG 3.28Å; S245-A264 PolarHBondContact N-O 3Å; S245-A264 PolarHBondContact OG-O 3.19Å
246	D	96.4	Very high	90.5	Very high	61 Å²	61	39.1 Å²	39.1	33%	0.326	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-7.2	167.6	-69.8	-30.3	0	0	0	112.7	D104 N105 R107 L248	D104-D246 HydrophobicContact CB-CB 4.33Å; D104-D246 PolarHBondContact O-N 3.07Å; N105-D246 HydrophobicContact CB-CB 4.42Å; N105-D246 VanDerWaalsContact CB-OD2 3.27Å; N105-D246 WeakPolarHBondContact CB-OD2 3.35Å; N105-D246 PolarHBondContact ND2-OD2 2.67Å; R107-D246 IonicContact CZ-OD1 2.8Å; R107-D246 VanDerWaalsContact CZ-OD1 3.3Å; R107-D246 IonicContact CZ-OD2 3.2Å; R107-D246 VanDerWaalsContact NH1-CG 3.35Å; R107-D246 IonicContact NH1-OD1 3.22Å; R107-D246 PolarHBondContact NH1-OD1 3.07Å; R107-D246 IonicContact NH1-OD2 2.73Å; R107-D246 PolarHBondContact NH1-OD2 2.93Å; R107-D246 IonicContact NH2-OD1 3.7Å; R107-D246 PolarHBondContact NH2-OD1 3.42Å; R107-D246 IonicContact NH2-OD2 3.66Å; D246-L248 PolarHBondContact O-N 2.86Å
247	T	97.2	Very high	89.4	Confident	22 Å²	22	41.4 Å²	41.4	14%	0.135	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	128	173.4	-60	0	0	0	0	109.7	I103 D104 S245 A264	I103-T247 WeakPolarHBondContact CA-OG1 3.34Å; D104-T247 PolarHBondContact N-OG1 2.61Å; D104-T247 PolarHBondContact OD2-OG1 2.88Å; S245-T247 PolarHBondContact OG-N 3.32Å; T247-A264 HydrophobicContact CG2-CB 4.12Å; T247-A264 WeakPolarHBondContact O-CB 3.19Å; T247-A264 PolarHBondContact O-N 2.64Å
248	L	95.5	Very high	88.6	Confident	113 Å²	113	47.2 Å²	47.2	59%	0.592	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101	141.9	-176.1	-65.4	-176.5	0	0	0	111.6	D246 T261 E262 K263	D246-L248 PolarHBondContact O-N 2.86Å; L248-T261 HydrophobicContact CB-CG2 3.56Å; L248-T261 HydrophobicContact CD1-CG2 3.94Å; L248-T261 HydrophobicContact CD2-CG2 4.13Å; L248-T261 HydrophobicContact CG-CG2 4.07Å; L248-E262 WeakPolarHBondContact CA-O 3.39Å; L248-K263 HydrophobicContact CD2-CG 4.27Å
249	V	93.4	Very high	87.9	Confident	12 Å²	12	50.2 Å²	50.2	7%	0.073	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	142.6	178	-66	0	0	0	0	110.8	R213 V215 E262 A264	R213-V249 HydrophobicContact CB-CG1 3.78Å; R213-V249 HydrophobicContact CG-CG1 3.84Å; V215-V249 HydrophobicContact CG1-CG2 3.53Å; V249-E262 WeakPolarHBondContact CG2-O 3.4Å; V249-E262 PolarHBondContact N-O 3.25Å; V249-E262 PolarHBondContact O-N 3.45Å; V249-A264 HydrophobicContact CG1-CB 4.08Å
250	E	90.9	Very high	87.4	Confident	141 Å²	141	54.6 Å²	54.6	66%	0.659	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	133.6	177.3	-68.8	-172.2	167.7	0	0	111.3	I260	E250-I260 CarbonylContact C-O 3.54Å; E250-I260 WeakPolarHBondContact CA-O 3.25Å
251	R	85.6	Confident	87.1	Confident	40 Å²	40	58.7 Å²	58.7	15%	0.151	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	135.7	177.4	-71.2	-63.3	176.8	-91.4	5.2	111.1	D211 R213 V215 S259 I260 E262	D211-R251 VanDerWaalsContact CG-NH2 3.26Å; D211-R251 IonicContact OD1-CZ 3.91Å; D211-R251 IonicContact OD1-NH1 3.88Å; D211-R251 IonicContact OD1-NH2 3.3Å; D211-R251 PolarHBondContact OD1-NH2 3.06Å; D211-R251 IonicContact OD2-CZ 2.98Å; D211-R251 VanDerWaalsContact OD2-CZ 3.25Å; D211-R251 IonicContact OD2-NH1 2.8Å; D211-R251 PolarHBondContact OD2-NH1 3.17Å; D211-R251 IonicContact OD2-NH2 2.65Å; D211-R251 PolarHBondContact OD2-NH2 3.35Å; R213-R251 VanDerWaalsContact C-NH2 3.3Å; R213-R251 PolarHBondContact O-NH2 3.05Å; V215-R251 HydrophobicContact CG1-CG 3.66Å; V215-R251 HydrophobicContact CG2-CG 4.46Å; R251-S259 CarbonylContact O-C 3.58Å; R251-S259 WeakPolarHBondContact O-CA 3.36Å; R251-I260 PolarHBondContact N-O 3.01Å; R251-I260 WeakPolarHBondContact O-CG1 3.45Å; R251-I260 PolarHBondContact O-N 3.34Å; R251-E262 HydrophobicContact CB-CG 4.42Å; R251-E262 WeakPolarHBondContact CB-OE2 3.47Å; R251-E262 VanDerWaalsContact CG-OE2 3.31Å; R251-E262 WeakPolarHBondContact CG-OE2 3.17Å
252	D	80.3	Confident	86.9	Confident	31 Å²	31	59.7 Å²	59.7	17%	0.166	32%	0.322	C	S	.	.			trans	-102.2	107.8	161.6	-178.1	-11.5	0	0	0	107.9	F254 Y255 T256 G257	D252-F254 VanDerWaalsContact C-N 3.3Å; D252-F254 PolarHBondContact O-N 3.45Å; D252-F254 PolarHBondContact OD1-N 3.48Å; D252-Y255 VanDerWaalsContact CG-CA 3.4Å; D252-Y255 VanDerWaalsContact CG-N 3.32Å; D252-Y255 WeakPolarHBondContact OD1-CA 3.46Å; D252-Y255 PolarHBondContact OD1-N 3.38Å; D252-Y255 WeakPolarHBondContact OD2-CA 3.32Å; D252-T256 PolarHBondContact OD1-N 2.94Å; D252-T256 VanDerWaalsContact OD1-N 3.13Å; D252-T256 PolarHBondContact OD2-N 2.8Å; D252-G257 WeakPolarHBondContact OD2-CA 3.43Å; D252-G257 PolarHBondContact OD2-N 3.17Å
253	M	70	Confident	86.7	Confident	64 Å²	64	63.6 Å²	63.6	32%	0.315	34%	0.339	S	S	.	.	S	Bend	trans	-65.5	-34	-174	176.9	159.4	67.6	0	0	112.6	S703 S705	M253-S703 PolarHBondContact O-OG 3.26Å; M253-S703 VanDerWaalsContact O-OG 3.05Å; M253-S705 PolarHBondContact O-OG 3.17Å
254	F	69	Low	86.6	Confident	94 Å²	94	63.7 Å²	63.7	41%	0.412	34%	0.34	S	S	.	.	S	Bend	trans	-120.7	6.7	-171.8	-61.8	-56.6	0	0	0	113.9	D252 T256 R701	D252-F254 VanDerWaalsContact C-N 3.3Å; D252-F254 PolarHBondContact O-N 3.45Å; D252-F254 PolarHBondContact OD1-N 3.48Å; F254-T256 VanDerWaalsContact C-N 3.28Å; F254-T256 HydrophobicContact CB-CG2 3.9Å; F254-T256 PolarHBondContact O-N 2.98Å; F254-R701 HydrophobicContact CE1-CB 3.96Å
255	Y	69.3	Low	86.7	Confident	136 Å²	136	63.7 Å²	63.7	53%	0.533	34%	0.34	S	S	.	.	S	Bend	trans	60	37.4	-177.6	-49.7	-79.4	0	0	0	112.4	D252	D252-Y255 VanDerWaalsContact CG-CA 3.4Å; D252-Y255 VanDerWaalsContact CG-N 3.32Å; D252-Y255 WeakPolarHBondContact OD1-CA 3.46Å; D252-Y255 PolarHBondContact OD1-N 3.38Å; D252-Y255 WeakPolarHBondContact OD2-CA 3.32Å
256	T	73.4	Confident	86.7	Confident	88 Å²	88	63.7 Å²	63.7	54%	0.54	34%	0.34	S	S	.	.	S	Bend	trans	-89.9	-12	179.6	62	0	0	0	0	113.7	D252 F254 D258	D252-T256 PolarHBondContact OD1-N 2.94Å; D252-T256 VanDerWaalsContact OD1-N 3.13Å; D252-T256 PolarHBondContact OD2-N 2.8Å; F254-T256 VanDerWaalsContact C-N 3.28Å; F254-T256 HydrophobicContact CB-CG2 3.9Å; F254-T256 PolarHBondContact O-N 2.98Å; T256-D258 PolarHBondContact OG1-N 3.22Å; T256-D258 PolarHBondContact OG1-OD2 2.87Å
257	G	77.2	Confident	86.8	Confident	60 Å²	60	60.8 Å²	60.8	62%	0.619	32%	0.324	S	S	*	.	S	Bend	trans	94.4	-6.8	-168.1	0	0	0	0	0	113.7	D252 S259	D252-G257 WeakPolarHBondContact OD2-CA 3.43Å; D252-G257 PolarHBondContact OD2-N 3.17Å; G257-S259 PolarHBondContact O-N 2.95Å
258	D	81.5	Confident	86.9	Confident	122 Å²	122	59.8 Å²	59.8	65%	0.652	32%	0.318	S	S	*	.			trans	-93.9	77.5	-177.1	-57.7	-52.8	0	0	0	111.2	T256	T256-D258 PolarHBondContact OG1-N 3.22Å; T256-D258 PolarHBondContact OG1-OD2 2.87Å
259	S	83.7	Confident	87	Confident	71 Å²	71	54.5 Å²	54.5	50%	0.497	29%	0.29	S	S	.	.			trans	-69.5	135.2	178.4	-67.2	0	0	0	0	112.4	R251 G257	R251-S259 CarbonylContact O-C 3.58Å; R251-S259 WeakPolarHBondContact O-CA 3.36Å; G257-S259 PolarHBondContact O-N 2.95Å
260	I	87.9	Confident	87.3	Confident	91 Å²	91	53.9 Å²	53.9	47%	0.467	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	159.8	168.6	59.8	166.7	0	0	0	110.2	E250 R251 E262	E250-I260 CarbonylContact C-O 3.54Å; E250-I260 WeakPolarHBondContact CA-O 3.25Å; R251-I260 PolarHBondContact N-O 3.01Å; R251-I260 WeakPolarHBondContact O-CG1 3.45Å; R251-I260 PolarHBondContact O-N 3.34Å; I260-E262 HydrophobicContact CD1-CG 3.89Å; I260-E262 HydrophobicContact CG1-CG 4.07Å
261	T	91	Very high	87.6	Confident	87 Å²	87	47.2 Å²	47.2	53%	0.534	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	126.2	172.8	-47.1	0	0	0	0	110.1	L248	L248-T261 HydrophobicContact CB-CG2 3.56Å; L248-T261 HydrophobicContact CD1-CG2 3.94Å; L248-T261 HydrophobicContact CD2-CG2 4.13Å; L248-T261 HydrophobicContact CG-CG2 4.07Å
262	E	92.5	Very high	88.2	Confident	20 Å²	20	47.9 Å²	47.9	9%	0.093	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	160.8	-179.9	-65.3	-171	78.8	0	0	110.6	V215 R217 L248 V249 R251 I260	V215-E262 HydrophobicContact CB-CB 4.13Å; V215-E262 HydrophobicContact CG1-CB 3.59Å; V215-E262 HydrophobicContact CG1-CG 4.4Å; R217-E262 WeakPolarHBondContact CD-OE1 3.36Å; R217-E262 IonicContact CZ-OE2 2.91Å; R217-E262 IonicContact NE-OE1 3.2Å; R217-E262 PolarHBondContact NE-OE1 3.42Å; R217-E262 IonicContact NE-OE2 3.41Å; R217-E262 PolarHBondContact NE-OE2 3.09Å; R217-E262 VanDerWaalsContact NE-OE2 3.08Å; R217-E262 IonicContact NH2-OE2 2.75Å; R217-E262 PolarHBondContact NH2-OE2 3.36Å; L248-E262 WeakPolarHBondContact CA-O 3.39Å; V249-E262 WeakPolarHBondContact CG2-O 3.4Å; V249-E262 PolarHBondContact N-O 3.25Å; V249-E262 PolarHBondContact O-N 3.45Å; R251-E262 HydrophobicContact CB-CG 4.42Å; R251-E262 WeakPolarHBondContact CB-OE2 3.47Å; R251-E262 VanDerWaalsContact CG-OE2 3.31Å; R251-E262 WeakPolarHBondContact CG-OE2 3.17Å; I260-E262 HydrophobicContact CD1-CG 3.89Å; I260-E262 HydrophobicContact CG1-CG 4.07Å
263	K	94.2	Very high	89.1	Confident	83 Å²	83	46.4 Å²	46.4	36%	0.361	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	129	175.8	-70.8	175.5	175.8	175.8	0	111.1	S245 L248 S265	S245-K263 WeakPolarHBondContact O-CD 3.41Å; S245-K263 WeakPolarHBondContact O-CG 3.28Å; L248-K263 HydrophobicContact CD2-CG 4.27Å; K263-S265 PolarHBondContact O-N 2.87Å; K263-S265 PolarHBondContact O-OG 2.98Å
264	A	96.7	Very high	90.4	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	132	171.1	0	0	0	0	0	109.8	K214 S245 T247 V249	K214-A264 CarbonylContact O-C 3.59Å; K214-A264 WeakPolarHBondContact O-CA 3.33Å; S245-A264 PolarHBondContact N-O 3Å; S245-A264 PolarHBondContact OG-O 3.19Å; T247-A264 HydrophobicContact CG2-CB 4.12Å; T247-A264 WeakPolarHBondContact O-CB 3.19Å; T247-A264 PolarHBondContact O-N 2.64Å; V249-A264 HydrophobicContact CG1-CB 4.08Å
265	S	97.1	Very high	91.8	Very high	1 Å²	1	39 Å²	39	1%	0.007	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	151.9	180	-57.2	0	0	0	0	110.3	K214 L216 I243 T244 K263	K214-S265 PolarHBondContact O-N 2.72Å; L216-S265 WeakPolarHBondContact CA-OG 3.34Å; L216-S265 PolarHBondContact N-OG 2.72Å; I243-S265 CarbonylContact O-C 3.44Å; I243-S265 WeakPolarHBondContact O-CA 3.46Å; I243-S265 WeakPolarHBondContact O-CB 3.16Å; T244-S265 PolarHBondContact OG1-OG 3.46Å; K263-S265 PolarHBondContact O-N 2.87Å; K263-S265 PolarHBondContact O-OG 2.98Å
266	I	98.2	Very high	93.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	127.4	-176.5	-60.4	-177.2	0	0	0	108.8	I103 S148 L198 K199 I242 I243	I103-I266 HydrophobicContact CD1-CD1 3.78Å; I103-I266 HydrophobicContact CD1-CG1 4.21Å; I103-I266 HydrophobicContact CG1-CD1 4.34Å; I103-I266 HydrophobicContact CG2-CD1 4.24Å; S148-I266 WeakPolarHBondContact O-CD1 3.24Å; L198-I266 HydrophobicContact CB-CG2 3.97Å; L198-I266 HydrophobicContact CD2-CG2 4.41Å; K199-I266 CarbonylContact O-C 3.56Å; K199-I266 VanDerWaalsContact O-CA 3.27Å; K199-I266 WeakPolarHBondContact O-CA 3.42Å; I242-I266 WeakPolarHBondContact CA-O 3.41Å; I243-I266 PolarHBondContact N-O 3.46Å; I243-I266 PolarHBondContact O-N 3.33Å
267	T	98.3	Very high	94.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	123.3	171.4	-54.7	0	0	0	0	108.9	K199 S219 A239 S241 R269	K199-T267 PolarHBondContact N-O 3.43Å; K199-T267 PolarHBondContact O-N 2.94Å; S219-T267 VanDerWaalsContact CA-OG1 3.29Å; S219-T267 WeakPolarHBondContact CA-OG1 3.44Å; S219-T267 WeakPolarHBondContact CB-OG1 3.14Å; S219-T267 PolarHBondContact O-OG1 3.04Å; S219-T267 PolarHBondContact OG-OG1 2.93Å; S219-T267 VanDerWaalsContact OG-OG1 3.13Å; A239-T267 HydrophobicContact CB-CG2 4.33Å; S241-T267 WeakPolarHBondContact O-CA 3.5Å; T267-R269 HydrophobicContact CG2-CG 4.26Å; T267-R269 PolarHBondContact O-N 3.13Å
268	S	98.4	Very high	95.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	110.8	171.2	-49.8	0	0	0	0	109.4	L147 L198 A239 A240 S241	L147-S268 PolarHBondContact O-OG 3.44Å; L198-S268 WeakPolarHBondContact CD2-OG 3.11Å; A239-S268 CarbonylContact C-O 3.53Å; A239-S268 WeakPolarHBondContact CA-O 3.35Å; A240-S268 PolarHBondContact N-O 3.36Å; S241-S268 PolarHBondContact O-N 3.34Å; S241-S268 PolarHBondContact OG-OG 2.83Å
269	R	98.7	Very high	96.3	Very high	2 Å²	2	20 Å²	20	1%	0.008	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	142.3	179.5	-57.4	170.9	65.9	-161.5	9.6	109.9	Q197 E222 R238 T267 F274	Q197-R269 HydrophobicContact CB-CB 4.42Å; Q197-R269 PolarHBondContact N-O 3.4Å; Q197-R269 PolarHBondContact O-N 2.9Å; E222-R269 WeakPolarHBondContact OE1-CD 3.4Å; E222-R269 IonicContact OE1-CZ 2.88Å; E222-R269 IonicContact OE1-NE 3.18Å; E222-R269 PolarHBondContact OE1-NE 3.23Å; E222-R269 IonicContact OE1-NH2 2.98Å; R238-R269 CarbonylContact O-C 3.54Å; R238-R269 WeakPolarHBondContact O-CA 3.42Å; T267-R269 HydrophobicContact CG2-CG 4.26Å; T267-R269 PolarHBondContact O-N 3.13Å; R269-F274 HydrophobicContact CB-CE1 3.96Å; R269-F274 HydrophobicContact CB-CZ 3.59Å
270	V	98.7	Very high	97	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	129.1	-179.2	-177.2	0	0	0	0	109.4	L118 L119 W194 E195 L196 R238 A240	L118-V270 HydrophobicContact CB-CG1 4.39Å; L118-V270 HydrophobicContact CD1-CG1 4.3Å; L119-V270 HydrophobicContact CD1-CG2 3.75Å; L119-V270 HydrophobicContact CD2-CG1 3.96Å; L119-V270 HydrophobicContact CD2-CG2 4.44Å; L119-V270 HydrophobicContact CG-CG1 4.3Å; L119-V270 HydrophobicContact CG-CG2 4.24Å; W194-V270 HydrophobicContact CB-CG1 4.1Å; W194-V270 HydrophobicContact CD2-CG1 4.31Å; W194-V270 HydrophobicContact CE3-CG1 3.82Å; W194-V270 HydrophobicContact CG-CG1 4.47Å; E195-V270 WeakPolarHBondContact O-CA 3.21Å; L196-V270 HydrophobicContact CD1-CG2 4.11Å; R238-V270 HydrophobicContact CB-CB 4.21Å; R238-V270 PolarHBondContact N-O 3.13Å; R238-V270 PolarHBondContact O-N 2.67Å; A240-V270 HydrophobicContact CB-CG2 3.85Å
271	A	98.6	Very high	97.5	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.008	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	161.1	176.6	0	0	0	0	0	110.5	W194 E195 T237 T273 F274 L368	W194-A271 CarbonylContact C-O 3.5Å; E195-A271 PolarHBondContact N-O 3.16Å; E195-A271 PolarHBondContact O-N 3.09Å; E195-A271 VanDerWaalsContact O-N 3.17Å; T237-A271 HydrophobicContact CG2-CB 4.02Å; A271-T273 PolarHBondContact O-N 3.31Å; A271-F274 HydrophobicContact CB-CD1 4.45Å; A271-F274 HydrophobicContact CB-CD2 4.26Å; A271-F274 HydrophobicContact CB-CE1 4.01Å; A271-F274 HydrophobicContact CB-CE2 3.8Å; A271-F274 HydrophobicContact CB-CZ 3.65Å; A271-L368 HydrophobicContact CB-CD1 4.14Å
272	K	98	Very high	97.8	Very high	53 Å²	53	8.3 Å²	8.3	23%	0.23	4%	0.037	C	C	.	.	S	Bend	trans	-61	-33.6	170.7	-64.1	-63.7	-169.4	-174.5	0	111.5	E192 R193 W194 F314 I366	E192-K272 VanDerWaalsContact CB-NZ 3.33Å; E192-K272 IonicContact OE1-NZ 3.86Å; E192-K272 PolarHBondContact OE1-NZ 3.09Å; E192-K272 VanDerWaalsContact OE1-NZ 3.16Å; E192-K272 IonicContact OE2-NZ 3.64Å; E192-K272 PolarHBondContact OE2-NZ 2.85Å; R193-K272 WeakPolarHBondContact O-CD 3.33Å; W194-K272 HydrophobicContact CD2-CD 3.93Å; W194-K272 HydrophobicContact CE3-CD 3.96Å; W194-K272 HydrophobicContact CE3-CG 4.31Å; W194-K272 HydrophobicContact CH2-CD 4Å; W194-K272 HydrophobicContact CH2-CG 4.26Å; W194-K272 HydrophobicContact CZ2-CD 3.95Å; W194-K272 HydrophobicContact CZ3-CD 4Å; W194-K272 HydrophobicContact CZ3-CG 4.05Å; K272-F314 HydrophobicContact CB-CE1 4.43Å; K272-F314 WeakPolarHBondContact O-CE1 3.41Å; K272-I366 HydrophobicContact CB-CD1 3.85Å
273	T	98.3	Very high	98	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.006	4%	0.035	C	C	.	.			trans	-162.8	149.2	171.3	-178.6	0	0	0	0	110.5	A271 I275 F314 I365 I366	A271-T273 PolarHBondContact O-N 3.31Å; T273-I275 HydrophobicContact CG2-CB 4.43Å; T273-I275 WeakPolarHBondContact OG1-CD1 3.42Å; T273-I275 VanDerWaalsContact OG1-CG1 3.26Å; T273-I275 WeakPolarHBondContact OG1-CG1 3.43Å; T273-I275 PolarHBondContact OG1-N 2.98Å; T273-I275 VanDerWaalsContact OG1-N 3.07Å; T273-F314 VanDerWaalsContact CB-CZ 3.46Å; T273-F314 HydrophobicContact CG2-CD1 4.36Å; T273-F314 HydrophobicContact CG2-CD2 4.13Å; T273-F314 HydrophobicContact CG2-CE1 4.05Å; T273-F314 HydrophobicContact CG2-CE2 3.81Å; T273-F314 HydrophobicContact CG2-CG 4.41Å; T273-F314 HydrophobicContact CG2-CZ 3.78Å; T273-I365 HydrophobicContact CG2-CG2 4.26Å; T273-I366 HydrophobicContact CG2-CD1 3.88Å; T273-I366 HydrophobicContact CG2-CG1 3.96Å; T273-I366 HydrophobicContact CG2-CG2 4.05Å
274	F	98.4	Very high	98.1	Very high	1 Å²	1	6.1 Å²	6.1	0%	0.004	3%	0.028	C	C	.	.			trans	-96.8	18.6	167.7	-66.7	-86.3	0	0	0	113.4	E195 Q197 T237 R269 A271 R276 I370	E195-F274 HydrophobicContact CB-CD2 4.04Å; E195-F274 HydrophobicContact CB-CE2 4.11Å; E195-F274 HydrophobicContact CG-CD2 3.84Å; E195-F274 HydrophobicContact CG-CE2 4.14Å; E195-F274 WeakPolarHBondContact OE2-CD2 3.3Å; E195-F274 PolarHBondContact OE2-N 3.08Å; E195-F274 VanDerWaalsContact OE2-N 3.07Å; Q197-F274 HydrophobicContact CB-CD2 4.1Å; Q197-F274 HydrophobicContact CB-CE2 3.68Å; Q197-F274 HydrophobicContact CB-CZ 4.01Å; T237-F274 HydrophobicContact CG2-CD1 4.31Å; T237-F274 HydrophobicContact CG2-CE1 3.81Å; R269-F274 HydrophobicContact CB-CE1 3.96Å; R269-F274 HydrophobicContact CB-CZ 3.59Å; A271-F274 HydrophobicContact CB-CD1 4.45Å; A271-F274 HydrophobicContact CB-CD2 4.26Å; A271-F274 HydrophobicContact CB-CE1 4.01Å; A271-F274 HydrophobicContact CB-CE2 3.8Å; A271-F274 HydrophobicContact CB-CZ 3.65Å; F274-R276 WeakPolarHBondContact O-CG 3.42Å; F274-I370 HydrophobicContact CD1-CD1 3.9Å
275	I	98.7	Very high	97.9	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.005	4%	0.043	C	C	.	.			trans	-68.5	137.1	173.1	-64.4	163.7	0	0	0	111.4	T273 F280 L306 Y309 V310 F314 I365	T273-I275 HydrophobicContact CG2-CB 4.43Å; T273-I275 WeakPolarHBondContact OG1-CD1 3.42Å; T273-I275 VanDerWaalsContact OG1-CG1 3.26Å; T273-I275 WeakPolarHBondContact OG1-CG1 3.43Å; T273-I275 PolarHBondContact OG1-N 2.98Å; T273-I275 VanDerWaalsContact OG1-N 3.07Å; I275-F280 HydrophobicContact CG2-CE2 3.87Å; I275-F280 HydrophobicContact CG2-CZ 4.26Å; I275-L306 HydrophobicContact CD1-CD1 3.9Å; I275-L306 HydrophobicContact CG1-CD1 4.41Å; I275-L306 HydrophobicContact CG2-CD1 4.33Å; I275-Y309 HydrophobicContact CD1-CD1 4.08Å; I275-Y309 HydrophobicContact CD1-CE1 3.87Å; I275-V310 HydrophobicContact CD1-CG2 3.7Å; I275-V310 HydrophobicContact CG2-CG2 4.05Å; I275-F314 HydrophobicContact CD1-CE2 4.36Å; I275-I365 HydrophobicContact CB-CG2 3.84Å; I275-I365 HydrophobicContact CG2-CB 4.11Å; I275-I365 HydrophobicContact CG2-CG2 3.76Å; I275-I365 WeakPolarHBondContact O-CG2 3.49Å; I275-I365 PolarHBondContact O-N 3.26Å
276	R	98.7	Very high	97.8	Very high	5 Å²	5	10.9 Å²	10.9	2%	0.019	6%	0.06	C	C	.	.	B	Isolated β-bridge	trans	-128.5	167.8	-167.9	-33.7	-170.1	-166.8	-180	4.8	110.4	Y163 D177 F274 G278 S279 F280 D361 M363	Y163-R276 VanDerWaalsContact CE1-CZ 3.41Å; Y163-R276 VanDerWaalsContact CE1-NH2 3.28Å; Y163-R276 VanDerWaalsContact CZ-NH1 3.33Å; Y163-R276 VanDerWaalsContact CZ-NH2 3.32Å; Y163-R276 VanDerWaalsContact OH-CZ 3.24Å; Y163-R276 PolarHBondContact OH-NH1 2.65Å; Y163-R276 VanDerWaalsContact OH-NH1 3.08Å; Y163-R276 PolarHBondContact OH-NH2 2.87Å; D177-R276 IonicContact OD1-NH2 3.97Å; D177-R276 PolarHBondContact OD1-NH2 3.24Å; F274-R276 WeakPolarHBondContact O-CG 3.42Å; R276-G278 VanDerWaalsContact C-N 3.25Å; R276-G278 PolarHBondContact O-N 3.1Å; R276-S279 PolarHBondContact N-OG 3.19Å; R276-S279 VanDerWaalsContact N-OG 3.13Å; R276-S279 VanDerWaalsContact O-CB 3.23Å; R276-S279 WeakPolarHBondContact O-CB 3.44Å; R276-S279 PolarHBondContact O-N 3.46Å; R276-S279 VanDerWaalsContact O-N 3.11Å; R276-S279 PolarHBondContact O-OG 3.33Å; R276-F280 VanDerWaalsContact O-CD2 3.26Å; R276-F280 WeakPolarHBondContact O-CD2 3.33Å; R276-F280 WeakPolarHBondContact O-CE2 3.5Å; R276-D361 WeakPolarHBondContact CD-O 3.27Å; R276-D361 PolarHBondContact NH1-O 3.06Å; R276-M363 CarbonylContact C-O 3.5Å; R276-M363 WeakPolarHBondContact CA-O 3.48Å; R276-M363 WeakPolarHBondContact CB-O 3.49Å
277	F	98.8	Very high	97.3	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	-61.4	-41.3	172.9	-64.2	4.4	0	0	0	110.3	S279 F280 V337 T360 M363 S364 I365 N408 L412	F277-S279 PolarHBondContact O-N 3.14Å; F277-S279 VanDerWaalsContact O-N 3.09Å; F277-F280 PolarHBondContact O-N 3.38Å; F277-V337 HydrophobicContact CE1-CG1 3.69Å; F277-V337 HydrophobicContact CZ-CG1 3.78Å; F277-T360 WeakPolarHBondContact CB-O 3.47Å; F277-M363 HydrophobicContact CB-CB 4.11Å; F277-M363 HydrophobicContact CD1-CB 3.9Å; F277-M363 WeakPolarHBondContact CD1-O 3.43Å; F277-M363 HydrophobicContact CD2-CB 3.45Å; F277-M363 VanDerWaalsContact CD2-CB 3.45Å; F277-M363 HydrophobicContact CD2-CG 3.95Å; F277-M363 HydrophobicContact CE1-CB 4.12Å; F277-M363 HydrophobicContact CE2-CB 3.7Å; F277-M363 HydrophobicContact CE2-CE 4.25Å; F277-M363 HydrophobicContact CE2-CG 4.14Å; F277-M363 HydrophobicContact CG-CB 3.55Å; F277-M363 HydrophobicContact CG-CG 4.47Å; F277-M363 HydrophobicContact CZ-CB 4.03Å; F277-M363 PolarHBondContact N-O 3.35Å; F277-S364 WeakPolarHBondContact CE1-O 3.4Å; F277-I365 HydrophobicContact CD1-CD1 3.87Å; F277-I365 HydrophobicContact CE1-CD1 4.03Å; F277-N408 HydrophobicContact CD2-CB 4.01Å; F277-N408 WeakPolarHBondContact CD2-O 3.43Å; F277-N408 HydrophobicContact CE2-CB 4.09Å; F277-L412 HydrophobicContact CB-CB 4.47Å; F277-L412 HydrophobicContact CD1-CD2 3.89Å; F277-L412 HydrophobicContact CD2-CB 4.14Å; F277-L412 HydrophobicContact CE1-CD2 3.89Å; F277-L412 HydrophobicContact CG-CB 4.18Å; F277-L412 HydrophobicContact CG-CD2 4.26Å; F277-L412 HydrophobicContact CZ-CD2 4.25Å
278	G	98.5	Very high	96.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-56.6	-22.3	173.8	0	0	0	0	0	115.5	C164 R276 F280 E281 T360	C164-G278 PolarHBondContact N-O 3.13Å; C164-G278 CarbonylContact O-C 3.54Å; C164-G278 WeakPolarHBondContact O-CA 3.34Å; R276-G278 VanDerWaalsContact C-N 3.25Å; R276-G278 PolarHBondContact O-N 3.1Å; G278-F280 PolarHBondContact O-N 3.18Å; G278-E281 PolarHBondContact O-N 2.82Å; G278-T360 PolarHBondContact N-O 2.82Å
279	S	98.7	Very high	95.9	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.007	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-65.7	-27.6	174.8	-55.9	0	0	0	0	112.5	H161 R276 F277 E281	H161-S279 PolarHBondContact CE1-OG 2.84Å; H161-S279 PolarHBondContact NE2-OG 2.95Å; R276-S279 PolarHBondContact N-OG 3.19Å; R276-S279 VanDerWaalsContact N-OG 3.13Å; R276-S279 VanDerWaalsContact O-CB 3.23Å; R276-S279 WeakPolarHBondContact O-CB 3.44Å; R276-S279 PolarHBondContact O-N 3.46Å; R276-S279 VanDerWaalsContact O-N 3.11Å; R276-S279 PolarHBondContact O-OG 3.33Å; F277-S279 PolarHBondContact O-N 3.14Å; F277-S279 VanDerWaalsContact O-N 3.09Å; S279-E281 VanDerWaalsContact C-N 3.33Å
280	F	98.6	Very high	95.4	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.009	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-85.2	-10.7	178.8	-60.6	-95.2	0	0	0	112.5	I275 R276 F277 G278 I282 V303 L306 T307 V310 I365 L412 C415	I275-F280 HydrophobicContact CG2-CE2 3.87Å; I275-F280 HydrophobicContact CG2-CZ 4.26Å; R276-F280 VanDerWaalsContact O-CD2 3.26Å; R276-F280 WeakPolarHBondContact O-CD2 3.33Å; R276-F280 WeakPolarHBondContact O-CE2 3.5Å; F277-F280 PolarHBondContact O-N 3.38Å; G278-F280 PolarHBondContact O-N 3.18Å; F280-I282 VanDerWaalsContact C-N 3.34Å; F280-V303 HydrophobicContact CB-CG1 4.34Å; F280-V303 HydrophobicContact CD1-CG1 4.08Å; F280-L306 HydrophobicContact CD1-CD2 3.93Å; F280-L306 HydrophobicContact CD1-CG 4.27Å; F280-L306 HydrophobicContact CD2-CD2 4.29Å; F280-L306 HydrophobicContact CE1-CB 4.38Å; F280-L306 HydrophobicContact CE1-CD2 3.89Å; F280-L306 HydrophobicContact CE1-CG 3.79Å; F280-L306 HydrophobicContact CE2-CD2 4.24Å; F280-L306 HydrophobicContact CG-CD2 4.13Å; F280-L306 HydrophobicContact CZ-CD2 4.05Å; F280-L306 HydrophobicContact CZ-CG 3.99Å; F280-T307 WeakPolarHBondContact CE1-OG1 3.47Å; F280-V310 HydrophobicContact CZ-CG2 4.16Å; F280-I365 HydrophobicContact CD2-CD1 4.36Å; F280-I365 HydrophobicContact CE2-CB 4.38Å; F280-I365 HydrophobicContact CE2-CD1 3.54Å; F280-I365 HydrophobicContact CE2-CG1 3.77Å; F280-I365 HydrophobicContact CZ-CD1 3.97Å; F280-I365 HydrophobicContact CZ-CG1 3.98Å; F280-L412 HydrophobicContact CB-CD1 4.1Å; F280-L412 HydrophobicContact CD1-CD1 4.43Å; F280-L412 HydrophobicContact CD2-CD1 3.68Å; F280-L412 HydrophobicContact CE2-CD1 4.22Å; F280-L412 HydrophobicContact CG-CD1 3.81Å; F280-C415 HydrophobicContact CB-CB 3.83Å
281	E	98.1	Very high	95.1	Very high	1 Å²	1	26 Å²	26	1%	0.005	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-89.2	2.2	-176	-62.6	172.4	175.2	0	0	112.9	C164 G165 Y166 F171 G278 S279 S283 K284 T360	C164-E281 HydrophobicContact CB-CB 3.85Å; G165-E281 WeakPolarHBondContact CA-OE2 3.33Å; G165-E281 PolarHBondContact N-OE2 2.87Å; Y166-E281 WeakPolarHBondContact CD2-OE1 3.4Å; F171-E281 HydrophobicContact CE2-CB 4.02Å; G278-E281 PolarHBondContact O-N 2.82Å; S279-E281 VanDerWaalsContact C-N 3.33Å; E281-S283 PolarHBondContact O-N 3.49Å; E281-K284 VanDerWaalsContact O-CB 3.25Å; E281-K284 WeakPolarHBondContact O-CB 3.46Å; E281-K284 PolarHBondContact O-N 2.77Å; E281-K284 VanDerWaalsContact O-N 3.13Å; E281-T360 VanDerWaalsContact CD-OG1 3.25Å; E281-T360 WeakPolarHBondContact OE1-CB 3.35Å; E281-T360 WeakPolarHBondContact OE1-CG2 3.19Å; E281-T360 PolarHBondContact OE1-OG1 3.02Å; E281-T360 PolarHBondContact OE2-OG1 3.28Å
282	I	97.9	Very high	94.9	Very high	2 Å²	2	32 Å²	32	1%	0.01	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-65.8	-20.4	-176.6	62.7	174.3	0	0	0	114.3	F280 G294 P295 S296 I302	F280-I282 VanDerWaalsContact C-N 3.34Å; I282-G294 CarbonylContact O-C 3.16Å; I282-G294 WeakPolarHBondContact O-CA 3.38Å; I282-P295 HydrophobicContact CB-CG 4.38Å; I282-P295 WeakPolarHBondContact O-CD 3.27Å; I282-S296 WeakPolarHBondContact O-CA 3.43Å; I282-S296 WeakPolarHBondContact O-CB 3.46Å; I282-S296 PolarHBondContact O-N 3.46Å; I282-I302 HydrophobicContact CD1-CD1 3.76Å; I282-I302 HydrophobicContact CD1-CG1 4.11Å; I282-I302 HydrophobicContact CD1-CG2 3.95Å; I282-I302 HydrophobicContact CG1-CG2 4.27Å
283	S	97.2	Very high	94.8	Very high	8 Å²	8	35.1 Å²	35.1	6%	0.056	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-101.6	10.3	177.9	-53.7	0	0	0	0	113.1	E281 S285 S296 N299 I302	E281-S283 PolarHBondContact O-N 3.49Å; S283-S285 PolarHBondContact O-N 3.47Å; S283-S296 WeakPolarHBondContact CB-O 3.5Å; S283-S296 PolarHBondContact OG-O 2.85Å; S283-N299 WeakPolarHBondContact CB-O 3.45Å; S283-N299 PolarHBondContact OG-O 2.99Å; S283-I302 VanDerWaalsContact OG-CG2 3.31Å; S283-I302 WeakPolarHBondContact OG-CG2 2.97Å
284	K	95.1	Very high	94.8	Very high	49 Å²	49	35 Å²	35	21%	0.213	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-65.4	124.7	-177.9	-166.2	-170.1	176.1	72.1	0	111.2	Y166 F171 E281 G294 V297	Y166-K284 HydrophobicContact CE2-CD 4.44Å; Y166-K284 WeakPolarHBondContact OH-CE 3.43Å; Y166-K284 PolarHBondContact OH-NZ 3.43Å; F171-K284 HydrophobicContact CD1-CD 3.83Å; F171-K284 HydrophobicContact CD2-CD 3.64Å; F171-K284 HydrophobicContact CE1-CB 4.16Å; F171-K284 HydrophobicContact CE1-CD 3.78Å; F171-K284 HydrophobicContact CE1-CG 4.42Å; F171-K284 HydrophobicContact CE2-CB 4.35Å; F171-K284 HydrophobicContact CE2-CD 3.6Å; F171-K284 HydrophobicContact CG-CD 3.76Å; F171-K284 HydrophobicContact CZ-CB 3.8Å; F171-K284 HydrophobicContact CZ-CD 3.66Å; F171-K284 HydrophobicContact CZ-CG 4.31Å; E281-K284 VanDerWaalsContact O-CB 3.25Å; E281-K284 WeakPolarHBondContact O-CB 3.46Å; E281-K284 PolarHBondContact O-N 2.77Å; E281-K284 VanDerWaalsContact O-N 3.13Å; K284-G294 PolarHBondContact O-N 3.46Å; K284-V297 WeakPolarHBondContact O-CG2 3.48Å
285	S	93.6	Very high	94.7	Very high	44 Å²	44	35.9 Å²	35.9	31%	0.308	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-55.2	163.1	170.1	-59.1	0	0	0	0	112.5	S283 D287	S283-S285 PolarHBondContact O-N 3.47Å; S285-D287 PolarHBondContact O-N 2.95Å; S285-D287 VanDerWaalsContact O-N 3.12Å
286	P	93.7	Very high	94.7	Very high	58 Å²	58	35.9 Å²	35.9	38%	0.377	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-48.4	120.4	175.8	-28.5	35.6	0	0	0	112.6	Y36 R292 F293	Y36-P286 PolarHBondContact OH-O 3.33Å; P286-R292 WeakPolarHBondContact CA-O 3.49Å; P286-F293 HydrophobicContact CB-CB 4.49Å; P286-F293 HydrophobicContact CG-CB 4.1Å; P286-F293 HydrophobicContact CG-CD1 4.42Å
287	D	89.3	Confident	94.5	Very high	19 Å²	19	38.7 Å²	38.7	10%	0.102	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-67.7	132.6	177.8	175.3	78.6	0	0	0	109.9	F171 S285 I289 T290 G291 R292	F171-D287 HydrophobicContact CB-CB 3.84Å; F171-D287 HydrophobicContact CD1-CB 4.08Å; F171-D287 HydrophobicContact CG-CB 4.34Å; S285-D287 PolarHBondContact O-N 2.95Å; S285-D287 VanDerWaalsContact O-N 3.12Å; D287-I289 PolarHBondContact O-N 2.82Å; D287-I289 VanDerWaalsContact O-N 3.17Å; D287-I289 PolarHBondContact OD2-N 3.22Å; D287-T290 WeakPolarHBondContact CB-OG1 3.45Å; D287-T290 WeakPolarHBondContact OD2-CB 3.47Å; D287-T290 PolarHBondContact OD2-N 3.32Å; D287-T290 PolarHBondContact OD2-OG1 3.06Å; D287-G291 WeakPolarHBondContact O-CA 3.46Å; D287-G291 PolarHBondContact O-N 3.38Å; D287-R292 WeakPolarHBondContact CB-O 3.46Å; D287-R292 PolarHBondContact N-O 2.88Å
288	S	86.9	Confident	94.1	Very high	105 Å²	105	42 Å²	42	73%	0.734	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-20.2	-172.4	56.3	0	0	0	0	113.8
289	I	80.2	Confident	93.9	Very high	102 Å²	102	44.1 Å²	44.1	52%	0.523	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-50.2	-177.6	-59.5	175.7	0	0	0	110.3	D287	D287-I289 PolarHBondContact O-N 2.82Å; D287-I289 VanDerWaalsContact O-N 3.17Å; D287-I289 PolarHBondContact OD2-N 3.22Å
290	T	88.5	Confident	93.7	Very high	46 Å²	46	45.2 Å²	45.2	28%	0.282	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-17.1	-171.7	62.6	0	0	0	0	113.5	F171 D287 R292	F171-T290 PolarHBondContact O-OG1 2.89Å; D287-T290 WeakPolarHBondContact CB-OG1 3.45Å; D287-T290 WeakPolarHBondContact OD2-CB 3.47Å; D287-T290 PolarHBondContact OD2-N 3.32Å; D287-T290 PolarHBondContact OD2-OG1 3.06Å; T290-R292 PolarHBondContact O-N 3.23Å; T290-R292 VanDerWaalsContact O-N 3.12Å; T290-R292 PolarHBondContact OG1-N 3.45Å
291	G	92.3	Very high	93.5	Very high	47 Å²	47	47.8 Å²	47.8	49%	0.485	29%	0.287	S	S	.	.			trans	68.1	-2.4	-171	0	0	0	0	0	114.2	D287	D287-G291 WeakPolarHBondContact O-CA 3.46Å; D287-G291 PolarHBondContact O-N 3.38Å
292	R	94.2	Very high	93.5	Very high	127 Å²	127	47.8 Å²	47.8	48%	0.479	29%	0.287	S	S	.	.			trans	-77.6	151.5	-178.2	-61.7	-170.1	-174.5	171	6.6	110.6	F171 A172 P286 D287 T290	F171-R292 HydrophobicContact CD1-CB 4.23Å; A172-R292 VanDerWaalsContact C-CD 3.48Å; A172-R292 WeakPolarHBondContact O-CD 3.44Å; A172-R292 PolarHBondContact O-NH1 2.88Å; A172-R292 VanDerWaalsContact O-NH1 3.09Å; P286-R292 WeakPolarHBondContact CA-O 3.49Å; D287-R292 WeakPolarHBondContact CB-O 3.46Å; D287-R292 PolarHBondContact N-O 2.88Å; T290-R292 PolarHBondContact O-N 3.23Å; T290-R292 VanDerWaalsContact O-N 3.12Å; T290-R292 PolarHBondContact OG1-N 3.45Å
293	F	96.1	Very high	93.5	Very high	118 Å²	118	47.8 Å²	47.8	52%	0.518	29%	0.287	S	S	.	.			trans	-139.4	160.5	-177.5	54	-86.9	0	0	0	110.8	G173 P286 V297	G173-F293 WeakPolarHBondContact CA-O 3.42Å; P286-F293 HydrophobicContact CB-CB 4.49Å; P286-F293 HydrophobicContact CG-CB 4.1Å; P286-F293 HydrophobicContact CG-CD1 4.42Å; F293-V297 HydrophobicContact CB-CG2 3.77Å; F293-V297 HydrophobicContact CD2-CG2 3.99Å; F293-V297 HydrophobicContact CG-CG2 4.3Å
294	G	97.2	Very high	93.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	29%	0.286	C	S	.	.			trans	-75.1	156.4	174.7	0	0	0	0	0	111.9	I282 K284 S296 V297	I282-G294 CarbonylContact O-C 3.16Å; I282-G294 WeakPolarHBondContact O-CA 3.38Å; K284-G294 PolarHBondContact O-N 3.46Å; G294-S296 PolarHBondContact O-N 2.99Å; G294-V297 VanDerWaalsContact O-CG2 3.3Å; G294-V297 WeakPolarHBondContact O-CG2 3.48Å
295	P	97.7	Very high	93.6	Very high	18 Å²	18	49.2 Å²	49.2	12%	0.117	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-15.6	-176.9	30	-36.7	0	0	0	113.9	P91 C164 Q174 I282	P91-P295 WeakPolarHBondContact CA-O 3.39Å; P91-P295 WeakPolarHBondContact CB-O 3.49Å; C164-P295 VanDerWaalsContact SG-CD 3.55Å; Q174-P295 HydrophobicContact CB-CG 4.28Å; Q174-P295 HydrophobicContact CG-CG 4.07Å; I282-P295 HydrophobicContact CB-CG 4.38Å; I282-P295 WeakPolarHBondContact O-CD 3.27Å
296	S	97.4	Very high	93.8	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.007	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	30.3	-175.1	-55.2	0	0	0	0	112.8	N92 I282 S283 G294 G298 N299	N92-S296 WeakPolarHBondContact CA-OG 3.31Å; N92-S296 PolarHBondContact N-OG 3.43Å; I282-S296 WeakPolarHBondContact O-CA 3.43Å; I282-S296 WeakPolarHBondContact O-CB 3.46Å; I282-S296 PolarHBondContact O-N 3.46Å; S283-S296 WeakPolarHBondContact CB-O 3.5Å; S283-S296 PolarHBondContact OG-O 2.85Å; G294-S296 PolarHBondContact O-N 2.99Å; S296-G298 PolarHBondContact O-N 2.7Å; S296-N299 PolarHBondContact O-N 3.17Å
297	V	95.1	Very high	94	Very high	65 Å²	65	44.4 Å²	44.4	39%	0.394	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	133.1	176.8	169.8	0	0	0	0	111	K284 F293 G294 N299	K284-V297 WeakPolarHBondContact O-CG2 3.48Å; F293-V297 HydrophobicContact CB-CG2 3.77Å; F293-V297 HydrophobicContact CD2-CG2 3.99Å; F293-V297 HydrophobicContact CG-CG2 4.3Å; G294-V297 VanDerWaalsContact O-CG2 3.3Å; G294-V297 WeakPolarHBondContact O-CG2 3.48Å; V297-N299 VanDerWaalsContact C-N 3.27Å; V297-N299 PolarHBondContact O-N 3.02Å
298	G	89.1	Confident	94.5	Very high	68 Å²	68	45.3 Å²	45.3	70%	0.701	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.4	-17.2	179.7	0	0	0	0	0	114.6	S296	S296-G298 PolarHBondContact O-N 2.7Å
299	N	94.5	Very high	95	Very high	46 Å²	46	40.6 Å²	40.6	25%	0.246	23%	0.233	C	C	.	.			trans	-99.1	85.5	174.5	-177.4	-1.2	0	0	0	110.1	N92 S283 S296 V297 T301 I302	N92-N299 WeakPolarHBondContact OD1-CB 3.41Å; N92-N299 PolarHBondContact OD1-ND2 2.99Å; S283-N299 WeakPolarHBondContact CB-O 3.45Å; S283-N299 PolarHBondContact OG-O 2.99Å; S296-N299 PolarHBondContact O-N 3.17Å; V297-N299 VanDerWaalsContact C-N 3.27Å; V297-N299 PolarHBondContact O-N 3.02Å; N299-T301 VanDerWaalsContact C-N 3.34Å; N299-T301 PolarHBondContact OD1-N 3.29Å; N299-I302 WeakPolarHBondContact O-CG2 3.46Å; N299-I302 PolarHBondContact OD1-N 2.97Å
300	L	95	Very high	95.9	Very high	24 Å²	24	35.7 Å²	35.7	13%	0.126	21%	0.208	C	C	.	.			trans	-82.3	-13.6	176.1	-71.6	163.9	0	0	0	112.9	I302 V303 S304 Q418 D422	L300-I302 VanDerWaalsContact C-N 3.26Å; L300-I302 PolarHBondContact O-N 2.87Å; L300-V303 WeakPolarHBondContact O-CB 3.48Å; L300-V303 PolarHBondContact O-N 3.4Å; L300-V303 VanDerWaalsContact O-N 3.14Å; L300-S304 PolarHBondContact O-N 3.36Å; L300-S304 VanDerWaalsContact O-N 3.17Å; L300-Q418 HydrophobicContact CD1-CG 3.72Å; L300-Q418 HydrophobicContact CD2-CB 4.24Å; L300-Q418 HydrophobicContact CD2-CG 3.75Å; L300-Q418 HydrophobicContact CG-CG 4.41Å; L300-D422 HydrophobicContact CB-CB 3.65Å; L300-D422 HydrophobicContact CD1-CB 3.83Å; L300-D422 HydrophobicContact CG-CB 4.4Å
301	T	95.3	Very high	96.4	Very high	56 Å²	56	33.5 Å²	33.5	34%	0.344	19%	0.194	S	C	.	.	H	α-helix	trans	-61.4	-35.1	175.1	-61.4	0	0	0	0	111.6	N299 V303 S304 Q305	N299-T301 VanDerWaalsContact C-N 3.34Å; N299-T301 PolarHBondContact OD1-N 3.29Å; T301-V303 VanDerWaalsContact C-N 3.32Å; T301-V303 PolarHBondContact O-N 3.07Å; T301-S304 WeakPolarHBondContact O-CB 3.06Å; T301-S304 PolarHBondContact O-N 3.49Å; T301-Q305 HydrophobicContact CG2-CG 4.42Å; T301-Q305 WeakPolarHBondContact O-CG 3.5Å; T301-Q305 PolarHBondContact O-N 3.25Å
302	I	96.6	Very high	96.6	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-62.3	-37.6	175.2	-164.7	166	0	0	0	112.6	P79 I282 S283 N299 L300 S304 Q305 L306	P79-I302 HydrophobicContact CB-CD1 4.21Å; P79-I302 HydrophobicContact CG-CD1 4.18Å; P79-I302 HydrophobicContact CG-CG1 4.08Å; I282-I302 HydrophobicContact CD1-CD1 3.76Å; I282-I302 HydrophobicContact CD1-CG1 4.11Å; I282-I302 HydrophobicContact CD1-CG2 3.95Å; I282-I302 HydrophobicContact CG1-CG2 4.27Å; S283-I302 VanDerWaalsContact OG-CG2 3.31Å; S283-I302 WeakPolarHBondContact OG-CG2 2.97Å; N299-I302 WeakPolarHBondContact O-CG2 3.46Å; N299-I302 PolarHBondContact OD1-N 2.97Å; L300-I302 VanDerWaalsContact C-N 3.26Å; L300-I302 PolarHBondContact O-N 2.87Å; I302-S304 VanDerWaalsContact C-N 3.34Å; I302-Q305 PolarHBondContact O-N 3.29Å; I302-L306 WeakPolarHBondContact O-CB 3.44Å; I302-L306 PolarHBondContact O-N 2.87Å
303	V	97.6	Very high	96.8	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.012	18%	0.18	C	C	.	.	H	α-helix	trans	-67.2	-40	176.7	-176.1	0	0	0	0	109.9	F280 L300 T301 L306 T307 A419	F280-V303 HydrophobicContact CB-CG1 4.34Å; F280-V303 HydrophobicContact CD1-CG1 4.08Å; L300-V303 WeakPolarHBondContact O-CB 3.48Å; L300-V303 PolarHBondContact O-N 3.4Å; L300-V303 VanDerWaalsContact O-N 3.14Å; T301-V303 VanDerWaalsContact C-N 3.32Å; T301-V303 PolarHBondContact O-N 3.07Å; V303-L306 PolarHBondContact O-N 3.47Å; V303-T307 WeakPolarHBondContact O-CB 3.27Å; V303-T307 PolarHBondContact O-N 3.36Å; V303-T307 PolarHBondContact O-OG1 3.05Å; V303-A419 HydrophobicContact CB-CB 4.29Å; V303-A419 HydrophobicContact CG1-CB 4.01Å
304	S	97.4	Very high	96.9	Very high	6 Å²	6	28 Å²	28	4%	0.042	16%	0.162	C	C	.	.	H	α-helix	trans	-62.5	-44.8	173.3	-68.5	0	0	0	0	112.7	L300 T301 I302 T307 N308 Y330 Q423	L300-S304 PolarHBondContact O-N 3.36Å; L300-S304 VanDerWaalsContact O-N 3.17Å; T301-S304 WeakPolarHBondContact O-CB 3.06Å; T301-S304 PolarHBondContact O-N 3.49Å; I302-S304 VanDerWaalsContact C-N 3.34Å; S304-T307 PolarHBondContact O-N 3.02Å; S304-N308 WeakPolarHBondContact O-CB 3.46Å; S304-N308 PolarHBondContact O-N 2.98Å; S304-N308 PolarHBondContact O-OD1 2.88Å; S304-Y330 PolarHBondContact O-OH 3.44Å; S304-Q423 PolarHBondContact OG-NE2 2.98Å
305	Q	97.4	Very high	96.9	Very high	80 Å²	80	28 Å²	28	37%	0.374	16%	0.162	S	C	.	.	H	α-helix	trans	-62.3	-46.3	177.3	-73.9	175.5	-11.3	0	0	111.2	L78 T301 I302 T307 N308 Y309	L78-Q305 HydrophobicContact CD2-CB 4.41Å; T301-Q305 HydrophobicContact CG2-CG 4.42Å; T301-Q305 WeakPolarHBondContact O-CG 3.5Å; T301-Q305 PolarHBondContact O-N 3.25Å; I302-Q305 PolarHBondContact O-N 3.29Å; Q305-T307 PolarHBondContact O-N 2.85Å; Q305-N308 PolarHBondContact O-N 3.28Å; Q305-Y309 WeakPolarHBondContact O-CB 3.07Å; Q305-Y309 PolarHBondContact O-N 3.37Å
306	L	98.5	Very high	96.9	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-59.6	-45.4	175	-179.2	61.8	0	0	0	111.6	L78 I275 F280 I302 V303 Y309 V310	L78-L306 HydrophobicContact CD1-CD1 3.79Å; L78-L306 HydrophobicContact CD2-CB 4.41Å; L78-L306 HydrophobicContact CD2-CD1 4.37Å; I275-L306 HydrophobicContact CD1-CD1 3.9Å; I275-L306 HydrophobicContact CG1-CD1 4.41Å; I275-L306 HydrophobicContact CG2-CD1 4.33Å; F280-L306 HydrophobicContact CD1-CD2 3.93Å; F280-L306 HydrophobicContact CD1-CG 4.27Å; F280-L306 HydrophobicContact CD2-CD2 4.29Å; F280-L306 HydrophobicContact CE1-CB 4.38Å; F280-L306 HydrophobicContact CE1-CD2 3.89Å; F280-L306 HydrophobicContact CE1-CG 3.79Å; F280-L306 HydrophobicContact CE2-CD2 4.24Å; F280-L306 HydrophobicContact CG-CD2 4.13Å; F280-L306 HydrophobicContact CZ-CD2 4.05Å; F280-L306 HydrophobicContact CZ-CG 3.99Å; I302-L306 WeakPolarHBondContact O-CB 3.44Å; I302-L306 PolarHBondContact O-N 2.87Å; V303-L306 PolarHBondContact O-N 3.47Å; L306-Y309 PolarHBondContact O-N 3.02Å; L306-V310 HydrophobicContact CD1-CG2 4.28Å; L306-V310 WeakPolarHBondContact O-CB 3.06Å; L306-V310 WeakPolarHBondContact O-CG2 3.45Å; L306-V310 PolarHBondContact O-N 2.71Å
307	T	98.6	Very high	97	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.1	-48.9	179	-53.7	0	0	0	0	110.9	F280 V303 S304 Q305 Y309 V310 I311 Y330 F333 L416	F280-T307 WeakPolarHBondContact CE1-OG1 3.47Å; V303-T307 WeakPolarHBondContact O-CB 3.27Å; V303-T307 PolarHBondContact O-N 3.36Å; V303-T307 PolarHBondContact O-OG1 3.05Å; S304-T307 PolarHBondContact O-N 3.02Å; Q305-T307 PolarHBondContact O-N 2.85Å; T307-Y309 VanDerWaalsContact C-N 3.33Å; T307-Y309 PolarHBondContact O-N 2.58Å; T307-V310 PolarHBondContact O-N 3.49Å; T307-I311 HydrophobicContact CG2-CD1 3.85Å; T307-I311 HydrophobicContact CG2-CG1 4.4Å; T307-I311 VanDerWaalsContact O-CG1 3.28Å; T307-I311 WeakPolarHBondContact O-CG1 3.33Å; T307-I311 PolarHBondContact O-N 3.03Å; T307-Y330 HydrophobicContact CG2-CD1 3.75Å; T307-Y330 HydrophobicContact CG2-CD2 3.97Å; T307-Y330 HydrophobicContact CG2-CE1 3.41Å; T307-Y330 VanDerWaalsContact CG2-CE1 3.41Å; T307-Y330 HydrophobicContact CG2-CE2 3.69Å; T307-Y330 HydrophobicContact CG2-CG 4.03Å; T307-Y330 VanDerWaalsContact CG2-CZ 3.4Å; T307-F333 HydrophobicContact CG2-CD1 4.16Å; T307-F333 HydrophobicContact CG2-CE1 4.06Å; T307-L416 HydrophobicContact CG2-CD2 3.72Å
308	N	98.2	Very high	97.2	Very high	38 Å²	38	32.6 Å²	32.6	20%	0.203	19%	0.185	C	C	.	.	H	α-helix	trans	-60.8	-43.5	179	-68.3	-4.7	0	0	0	111.8	S304 Q305 I311 Q312 W319 Y330	S304-N308 WeakPolarHBondContact O-CB 3.46Å; S304-N308 PolarHBondContact O-N 2.98Å; S304-N308 PolarHBondContact O-OD1 2.88Å; Q305-N308 PolarHBondContact O-N 3.28Å; N308-I311 PolarHBondContact O-N 3.42Å; N308-Q312 WeakPolarHBondContact O-CB 3.26Å; N308-Q312 VanDerWaalsContact O-CG 3.22Å; N308-Q312 WeakPolarHBondContact O-CG 3.42Å; N308-Q312 PolarHBondContact O-N 2.97Å; N308-W319 HydrophobicContact CB-CH2 3.88Å; N308-W319 HydrophobicContact CB-CZ3 3.78Å; N308-Y330 WeakPolarHBondContact OD1-CE1 3.27Å; N308-Y330 PolarHBondContact OD1-OH 2.82Å
309	Y	98.4	Very high	97.6	Very high	5 Å²	5	32.4 Å²	32.4	2%	0.02	16%	0.163	C	C	.	.	H	α-helix	trans	-58	-50	175	171.5	-99.1	0	0	0	111.6	I73 Q74 L78 E185 I275 Q305 L306 T307 I311 Q312 Q313 F314	I73-Y309 HydrophobicContact CG2-CE2 4.29Å; Q74-Y309 HydrophobicContact CB-CE1 4.3Å; Q74-Y309 HydrophobicContact CB-CE2 4.37Å; Q74-Y309 VanDerWaalsContact CB-OH 3.3Å; Q74-Y309 WeakPolarHBondContact CB-OH 3.36Å; L78-Y309 HydrophobicContact CD1-CD1 3.6Å; L78-Y309 HydrophobicContact CD1-CE1 3.97Å; L78-Y309 HydrophobicContact CD1-CG 3.91Å; L78-Y309 HydrophobicContact CD2-CG 4.12Å; L78-Y309 HydrophobicContact CG-CD1 4.24Å; L78-Y309 HydrophobicContact CG-CD2 4.4Å; L78-Y309 HydrophobicContact CG-CG 4.03Å; E185-Y309 PolarHBondContact OE1-OH 3.18Å; I275-Y309 HydrophobicContact CD1-CD1 4.08Å; I275-Y309 HydrophobicContact CD1-CE1 3.87Å; Q305-Y309 WeakPolarHBondContact O-CB 3.07Å; Q305-Y309 PolarHBondContact O-N 3.37Å; L306-Y309 PolarHBondContact O-N 3.02Å; T307-Y309 VanDerWaalsContact C-N 3.33Å; T307-Y309 PolarHBondContact O-N 2.58Å; Y309-I311 VanDerWaalsContact C-N 3.35Å; Y309-I311 PolarHBondContact O-N 3.12Å; Y309-Q312 PolarHBondContact O-N 3.39Å; Y309-Q313 HydrophobicContact CD2-CG 3.85Å; Y309-Q313 HydrophobicContact CE1-CG 4.36Å; Y309-Q313 HydrophobicContact CE2-CG 3.46Å; Y309-Q313 VanDerWaalsContact CE2-CG 3.46Å; Y309-Q313 HydrophobicContact CG-CG 4.45Å; Y309-Q313 WeakPolarHBondContact O-CG 3.45Å; Y309-Q313 PolarHBondContact O-N 3.37Å; Y309-F314 AromaticContact CE1-CE2 3.94Å; Y309-F314 HydrophobicContact CE1-CE2 3.94Å; Y309-F314 HydrophobicContact CE1-CZ 4.37Å
310	V	98.7	Very high	97.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60	-45.4	-179.3	165.2	0	0	0	0	111.3	I275 F280 L306 T307 F314 Y315 F333 I365	I275-V310 HydrophobicContact CD1-CG2 3.7Å; I275-V310 HydrophobicContact CG2-CG2 4.05Å; F280-V310 HydrophobicContact CZ-CG2 4.16Å; L306-V310 HydrophobicContact CD1-CG2 4.28Å; L306-V310 WeakPolarHBondContact O-CB 3.06Å; L306-V310 WeakPolarHBondContact O-CG2 3.45Å; L306-V310 PolarHBondContact O-N 2.71Å; T307-V310 PolarHBondContact O-N 3.49Å; V310-F314 HydrophobicContact CB-CD2 4.35Å; V310-F314 HydrophobicContact CG1-CD2 4.17Å; V310-F314 HydrophobicContact CG2-CD2 4.41Å; V310-F314 WeakPolarHBondContact O-CB 3.16Å; V310-F314 WeakPolarHBondContact O-CD2 3.49Å; V310-F314 PolarHBondContact O-N 3.31Å; V310-Y315 HydrophobicContact CG1-CD2 4.16Å; V310-Y315 HydrophobicContact CG1-CE2 3.91Å; V310-F333 HydrophobicContact CG1-CE2 3.76Å; V310-F333 HydrophobicContact CG1-CZ 3.81Å; V310-I365 HydrophobicContact CG1-CG1 3.92Å; V310-I365 HydrophobicContact CG1-CG2 4.13Å
311	I	98.7	Very high	97.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.4	-45.1	179.7	-57.6	170.7	0	0	0	110.1	T307 N308 Y309 Q313 Y315 I318 W319 Y330 F333	T307-I311 HydrophobicContact CG2-CD1 3.85Å; T307-I311 HydrophobicContact CG2-CG1 4.4Å; T307-I311 VanDerWaalsContact O-CG1 3.28Å; T307-I311 WeakPolarHBondContact O-CG1 3.33Å; T307-I311 PolarHBondContact O-N 3.03Å; N308-I311 PolarHBondContact O-N 3.42Å; Y309-I311 VanDerWaalsContact C-N 3.35Å; Y309-I311 PolarHBondContact O-N 3.12Å; I311-Q313 PolarHBondContact O-N 3.42Å; I311-Y315 CarbonylContact O-C 3.57Å; I311-Y315 VanDerWaalsContact O-CA 3.23Å; I311-Y315 WeakPolarHBondContact O-CA 3.13Å; I311-Y315 PolarHBondContact O-N 3.46Å; I311-Y315 VanDerWaalsContact O-O 3.05Å; I311-I318 HydrophobicContact CG2-CB 4.01Å; I311-I318 HydrophobicContact CG2-CG2 4.03Å; I311-W319 HydrophobicContact CB-CE3 4.02Å; I311-W319 HydrophobicContact CG2-CB 3.91Å; I311-W319 HydrophobicContact CG2-CE3 3.99Å; I311-Y330 HydrophobicContact CD1-CD1 3.7Å; I311-Y330 HydrophobicContact CD1-CE1 3.96Å; I311-F333 HydrophobicContact CD1-CB 3.65Å; I311-F333 HydrophobicContact CD1-CD1 3.93Å; I311-F333 HydrophobicContact CD1-CD2 4.46Å; I311-F333 HydrophobicContact CD1-CG 3.76Å; I311-F333 HydrophobicContact CG1-CB 3.81Å; I311-F333 HydrophobicContact CG1-CD1 3.98Å; I311-F333 HydrophobicContact CG1-CD2 3.76Å; I311-F333 HydrophobicContact CG1-CE1 4.5Å; I311-F333 HydrophobicContact CG1-CE2 4.31Å; I311-F333 HydrophobicContact CG1-CG 3.56Å
312	Q	97.8	Very high	98.1	Very high	75 Å²	75	39.8 Å²	39.8	35%	0.35	20%	0.201	S	C	.	.	H	α-helix	trans	-58.7	-46.5	178.1	-76.2	172.6	42.3	0	0	113	N308 Y309 W319	N308-Q312 WeakPolarHBondContact O-CB 3.26Å; N308-Q312 VanDerWaalsContact O-CG 3.22Å; N308-Q312 WeakPolarHBondContact O-CG 3.42Å; N308-Q312 PolarHBondContact O-N 2.97Å; Y309-Q312 PolarHBondContact O-N 3.39Å; Q312-W319 HydrophobicContact CB-CD2 4.38Å; Q312-W319 HydrophobicContact CB-CG 4.39Å; Q312-W319 HydrophobicContact CG-CB 4.38Å; Q312-W319 HydrophobicContact CG-CD2 3.19Å; Q312-W319 HydrophobicContact CG-CE3 3.63Å; Q312-W319 HydrophobicContact CG-CG 3.52Å; Q312-W319 HydrophobicContact CG-CH2 4.17Å; Q312-W319 HydrophobicContact CG-CZ2 3.8Å; Q312-W319 HydrophobicContact CG-CZ3 4.08Å
313	Q	97.4	Very high	98	Very high	65 Å²	65	41.7 Å²	41.7	30%	0.304	21%	0.214	S	C	.	.	H	α-helix	trans	-84.4	-37.5	-171.9	-62.8	-52.6	-50.6	0	0	113.1	Y309 I311	Y309-Q313 HydrophobicContact CD2-CG 3.85Å; Y309-Q313 HydrophobicContact CE1-CG 4.36Å; Y309-Q313 HydrophobicContact CE2-CG 3.46Å; Y309-Q313 VanDerWaalsContact CE2-CG 3.46Å; Y309-Q313 HydrophobicContact CG-CG 4.45Å; Y309-Q313 WeakPolarHBondContact O-CG 3.45Å; Y309-Q313 PolarHBondContact O-N 3.37Å; I311-Q313 PolarHBondContact O-N 3.42Å
314	F	98.1	Very high	98	Very high	35 Å²	35	49.3 Å²	49.3	15%	0.154	26%	0.255	C	S	.	.	H	α-helix	trans	-113.9	-12.8	-169.7	-49.4	-64.2	0	0	0	113.8	K272 T273 I275 Y309 V310 P316 I366	K272-F314 HydrophobicContact CB-CE1 4.43Å; K272-F314 WeakPolarHBondContact O-CE1 3.41Å; T273-F314 VanDerWaalsContact CB-CZ 3.46Å; T273-F314 HydrophobicContact CG2-CD1 4.36Å; T273-F314 HydrophobicContact CG2-CD2 4.13Å; T273-F314 HydrophobicContact CG2-CE1 4.05Å; T273-F314 HydrophobicContact CG2-CE2 3.81Å; T273-F314 HydrophobicContact CG2-CG 4.41Å; T273-F314 HydrophobicContact CG2-CZ 3.78Å; I275-F314 HydrophobicContact CD1-CE2 4.36Å; Y309-F314 AromaticContact CE1-CE2 3.94Å; Y309-F314 HydrophobicContact CE1-CE2 3.94Å; Y309-F314 HydrophobicContact CE1-CZ 4.37Å; V310-F314 HydrophobicContact CB-CD2 4.35Å; V310-F314 HydrophobicContact CG1-CD2 4.17Å; V310-F314 HydrophobicContact CG2-CD2 4.41Å; V310-F314 WeakPolarHBondContact O-CB 3.16Å; V310-F314 WeakPolarHBondContact O-CD2 3.49Å; V310-F314 PolarHBondContact O-N 3.31Å; F314-P316 VanDerWaalsContact C-CD 3.43Å; F314-I366 HydrophobicContact CB-CG2 3.73Å; F314-I366 HydrophobicContact CD2-CG2 4.47Å; F314-I366 HydrophobicContact CG-CG2 4.01Å
315	Y	98.4	Very high	97.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.271	C	S	.	.			trans	-133.4	51	176	-54.5	-90.9	0	0	0	111.5	V310 I311 H317 I318 W319 F333 E336 I365 I366	V310-Y315 HydrophobicContact CG1-CD2 4.16Å; V310-Y315 HydrophobicContact CG1-CE2 3.91Å; I311-Y315 CarbonylContact O-C 3.57Å; I311-Y315 VanDerWaalsContact O-CA 3.23Å; I311-Y315 WeakPolarHBondContact O-CA 3.13Å; I311-Y315 PolarHBondContact O-N 3.46Å; I311-Y315 VanDerWaalsContact O-O 3.05Å; Y315-H317 PolarHBondContact O-N 2.86Å; Y315-I318 HydrophobicContact CD1-CD1 4.08Å; Y315-I318 HydrophobicContact CG-CD1 4.34Å; Y315-I318 WeakPolarHBondContact O-CB 3.29Å; Y315-I318 PolarHBondContact O-N 2.94Å; Y315-W319 PolarHBondContact O-N 3.38Å; Y315-W319 VanDerWaalsContact O-N 3.08Å; Y315-F333 AromaticContact CD2-CD2 3.76Å; Y315-F333 HydrophobicContact CD2-CD2 3.76Å; Y315-F333 AromaticContact CD2-CE2 3.72Å; Y315-F333 HydrophobicContact CD2-CE2 3.72Å; Y315-F333 AromaticContact CE2-CD2 3.88Å; Y315-F333 HydrophobicContact CE2-CD2 3.88Å; Y315-F333 AromaticContact CE2-CE2 3.44Å; Y315-F333 HydrophobicContact CE2-CE2 3.44Å; Y315-F333 VanDerWaalsContact CE2-CE2 3.44Å; Y315-F333 HydrophobicContact CG-CD2 4.11Å; Y315-F333 HydrophobicContact CG-CE2 4.48Å; Y315-F333 AromaticContact CZ-CE2 3.95Å; Y315-E336 HydrophobicContact CD1-CB 4.44Å; Y315-E336 HydrophobicContact CD1-CG 3.8Å; Y315-E336 HydrophobicContact CE1-CB 4.34Å; Y315-E336 HydrophobicContact CE1-CG 3.61Å; Y315-I365 PolarHBondContact OH-O 3.31Å; Y315-I366 HydrophobicContact CE2-CG2 4.12Å; Y315-I366 WeakPolarHBondContact OH-CA 3.34Å
316	P	97.9	Very high	97.7	Very high	76 Å²	76	50.5 Å²	50.5	49%	0.494	26%	0.263	S	S	.	.	H	α-helix	trans	-60	-28.5	-168.5	23.5	-35.2	0	0	0	113.4	F314 W319 S320	F314-P316 VanDerWaalsContact C-CD 3.43Å; P316-W319 PolarHBondContact O-N 2.96Å; P316-S320 VanDerWaalsContact O-CB 3.3Å; P316-S320 WeakPolarHBondContact O-CB 3.41Å; P316-S320 PolarHBondContact O-N 3.31Å
317	H	98.2	Very high	97.6	Very high	99 Å²	99	52.5 Å²	52.5	46%	0.458	27%	0.273	S	S	.	.	H	α-helix	trans	-63	-45.5	173.1	63.9	-79.8	0	0	0	111.8	Y315 W319 S320 D321	Y315-H317 PolarHBondContact O-N 2.86Å; H317-W319 VanDerWaalsContact C-N 3.33Å; H317-W319 PolarHBondContact O-N 3.23Å; H317-S320 PolarHBondContact O-N 3.25Å; H317-D321 WeakPolarHBondContact O-CB 3.36Å; H317-D321 VanDerWaalsContact O-CG 3.23Å; H317-D321 PolarHBondContact O-N 3.44Å
318	I	98.7	Very high	97.5	Very high	7 Å²	7	55.2 Å²	55.2	4%	0.036	29%	0.287	C	S	.	.	H	α-helix	trans	-64.7	-40	176.1	-54.3	-175.2	0	0	0	110.5	I311 Y315 Y322 E332 F333 E336	I311-I318 HydrophobicContact CG2-CB 4.01Å; I311-I318 HydrophobicContact CG2-CG2 4.03Å; Y315-I318 HydrophobicContact CD1-CD1 4.08Å; Y315-I318 HydrophobicContact CG-CD1 4.34Å; Y315-I318 WeakPolarHBondContact O-CB 3.29Å; Y315-I318 PolarHBondContact O-N 2.94Å; I318-Y322 HydrophobicContact CG2-CD2 3.98Å; I318-Y322 WeakPolarHBondContact O-CB 3.4Å; I318-Y322 WeakPolarHBondContact O-CD2 3.21Å; I318-Y322 PolarHBondContact O-N 2.93Å; I318-E332 HydrophobicContact CG2-CB 4.09Å; I318-F333 HydrophobicContact CG2-CB 4.33Å; I318-E336 HydrophobicContact CD1-CB 3.84Å; I318-E336 HydrophobicContact CD1-CG 4.3Å
319	W	98.4	Very high	97.5	Very high	64 Å²	64	53.4 Å²	53.4	24%	0.242	28%	0.278	C	S	.	.	H	α-helix	trans	-61.4	-52	175.3	-172.3	-99.1	0	0	0	111.1	N308 I311 Q312 Y315 P316 H317 D321 Y322 S323 I326	N308-W319 HydrophobicContact CB-CH2 3.88Å; N308-W319 HydrophobicContact CB-CZ3 3.78Å; I311-W319 HydrophobicContact CB-CE3 4.02Å; I311-W319 HydrophobicContact CG2-CB 3.91Å; I311-W319 HydrophobicContact CG2-CE3 3.99Å; Q312-W319 HydrophobicContact CB-CD2 4.38Å; Q312-W319 HydrophobicContact CB-CG 4.39Å; Q312-W319 HydrophobicContact CG-CB 4.38Å; Q312-W319 HydrophobicContact CG-CD2 3.19Å; Q312-W319 HydrophobicContact CG-CE3 3.63Å; Q312-W319 HydrophobicContact CG-CG 3.52Å; Q312-W319 HydrophobicContact CG-CH2 4.17Å; Q312-W319 HydrophobicContact CG-CZ2 3.8Å; Q312-W319 HydrophobicContact CG-CZ3 4.08Å; Y315-W319 PolarHBondContact O-N 3.38Å; Y315-W319 VanDerWaalsContact O-N 3.08Å; P316-W319 PolarHBondContact O-N 2.96Å; H317-W319 VanDerWaalsContact C-N 3.33Å; H317-W319 PolarHBondContact O-N 3.23Å; W319-D321 VanDerWaalsContact C-N 3.33Å; W319-D321 PolarHBondContact O-N 3.27Å; W319-Y322 PolarHBondContact O-N 3.41Å; W319-S323 WeakPolarHBondContact O-CA 3.39Å; W319-S323 WeakPolarHBondContact O-CB 3.41Å; W319-S323 PolarHBondContact O-N 2.88Å; W319-S323 PolarHBondContact O-OG 2.95Å; W319-I326 HydrophobicContact CZ3-CD1 4.47Å
320	S	98.2	Very high	97.5	Very high	86 Å²	86	53.1 Å²	53.1	60%	0.601	28%	0.277	S	S	*	.	H	α-helix	trans	-56.7	-45.4	-179	-179	0	0	0	0	112.4	P316 H317	P316-S320 VanDerWaalsContact O-CB 3.3Å; P316-S320 WeakPolarHBondContact O-CB 3.41Å; P316-S320 PolarHBondContact O-N 3.31Å; H317-S320 PolarHBondContact O-N 3.25Å
321	D	98.4	Very high	97.5	Very high	108 Å²	108	54.2 Å²	54.2	58%	0.578	28%	0.282	S	S	*	.	H	α-helix	trans	-78.9	-30.3	-173	-65.5	-15.2	0	0	0	112.6	H317 W319	H317-D321 WeakPolarHBondContact O-CB 3.36Å; H317-D321 VanDerWaalsContact O-CG 3.23Å; H317-D321 PolarHBondContact O-N 3.44Å; W319-D321 VanDerWaalsContact C-N 3.33Å; W319-D321 PolarHBondContact O-N 3.27Å
322	Y	98.2	Very high	97.5	Very high	86 Å²	86	56.7 Å²	56.7	34%	0.337	29%	0.294	S	S	.	.	H	α-helix	trans	-124.7	-1.4	-167.9	-56.7	-76.7	0	0	0	115.4	I318 W319 N324 D325 N328 C329 E332	I318-Y322 HydrophobicContact CG2-CD2 3.98Å; I318-Y322 WeakPolarHBondContact O-CB 3.4Å; I318-Y322 WeakPolarHBondContact O-CD2 3.21Å; I318-Y322 PolarHBondContact O-N 2.93Å; W319-Y322 PolarHBondContact O-N 3.41Å; Y322-N324 PolarHBondContact O-N 2.98Å; Y322-D325 CarbonylContact O-C 3.21Å; Y322-D325 PolarHBondContact O-N 3.15Å; Y322-N328 HydrophobicContact CD1-CB 4.33Å; Y322-C329 WeakPolarHBondContact O-CB 3.01Å; Y322-E332 HydrophobicContact CD2-CB 4.25Å; Y322-E332 HydrophobicContact CD2-CG 4.34Å; Y322-E332 HydrophobicContact CE1-CG 4.3Å; Y322-E332 HydrophobicContact CE2-CB 4.11Å; Y322-E332 HydrophobicContact CE2-CG 3.9Å
323	S	96	Very high	97.5	Very high	41 Å²	41	53.1 Å²	53.1	29%	0.287	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-20.3	-175.7	62.3	0	0	0	0	114.8	W319 D325	W319-S323 WeakPolarHBondContact O-CA 3.39Å; W319-S323 WeakPolarHBondContact O-CB 3.41Å; W319-S323 PolarHBondContact O-N 2.88Å; W319-S323 PolarHBondContact O-OG 2.95Å; S323-D325 VanDerWaalsContact C-N 3.3Å
324	N	95.8	Very high	97.6	Very high	162 Å²	162	50 Å²	50	87%	0.866	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-17.9	175.2	-64.1	-32.8	0	0	0	113	Y322	Y322-N324 PolarHBondContact O-N 2.98Å
325	D	95.6	Very high	97.6	Very high	69 Å²	69	51 Å²	51	37%	0.369	27%	0.267	S	S	.	.	S	Bend	trans	-128.8	88.5	174.2	179.4	-8.2	0	0	0	109.2	Y322 S323 M327 N328 C329	Y322-D325 CarbonylContact O-C 3.21Å; Y322-D325 PolarHBondContact O-N 3.15Å; S323-D325 VanDerWaalsContact C-N 3.3Å; D325-M327 PolarHBondContact O-N 3.22Å; D325-M327 VanDerWaalsContact O-N 3.16Å; D325-M327 PolarHBondContact OD1-N 2.78Å; D325-N328 HydrophobicContact CB-CB 4.36Å; D325-N328 PolarHBondContact O-N 3.32Å; D325-N328 VanDerWaalsContact O-N 3.14Å; D325-N328 PolarHBondContact OD1-N 3.44Å; D325-N328 PolarHBondContact OD2-ND2 2.82Å; D325-C329 WeakPolarHBondContact O-CB 3.12Å; D325-C329 PolarHBondContact O-N 2.83Å
326	I	94.8	Very high	97.6	Very high	43 Å²	43	53 Å²	53	22%	0.221	28%	0.277	C	S	.	.	H	α-helix	trans	-60.1	-31.2	-172.2	-159.5	61.1	0	0	0	113.2	W319 C329 Y330 L420 Q423	W319-I326 HydrophobicContact CZ3-CD1 4.47Å; I326-C329 HydrophobicContact CD1-CB 4.42Å; I326-C329 WeakPolarHBondContact O-CB 3.44Å; I326-C329 PolarHBondContact O-N 3.46Å; I326-Y330 HydrophobicContact CD1-CD1 4.07Å; I326-Y330 HydrophobicContact CD1-CE1 3.51Å; I326-Y330 HydrophobicContact CG1-CD1 4.18Å; I326-Y330 HydrophobicContact CG1-CE1 3.75Å; I326-Y330 WeakPolarHBondContact O-CD1 3.4Å; I326-Y330 PolarHBondContact O-N 3.47Å; I326-L420 HydrophobicContact CG2-CD2 4.15Å; I326-Q423 VanDerWaalsContact CG2-OE1 3.32Å
327	M	95	Very high	97.7	Very high	43 Å²	43	49.4 Å²	49.4	21%	0.212	25%	0.253	C	S	.	.	H	α-helix	trans	-66	-48.6	177.6	-80.2	178.4	41.1	0	0	111.1	D325 C329 Y330 L331 L420 F436 L440	D325-M327 PolarHBondContact O-N 3.22Å; D325-M327 VanDerWaalsContact O-N 3.16Å; D325-M327 PolarHBondContact OD1-N 2.78Å; M327-C329 VanDerWaalsContact C-N 3.33Å; M327-Y330 PolarHBondContact O-N 2.99Å; M327-L331 PolarHBondContact O-N 2.84Å; M327-L331 VanDerWaalsContact O-N 3.11Å; M327-L420 HydrophobicContact CG-CD1 4.46Å; M327-L420 HydrophobicContact CG-CD2 4Å; M327-F436 HydrophobicContact CE-CE2 4.16Å; M327-F436 HydrophobicContact SD-CE2 3.79Å; M327-F436 HydrophobicContact SD-CZ 3.9Å; M327-L440 HydrophobicContact CE-CD1 4.44Å
328	N	96.8	Very high	97.7	Very high	57 Å²	57	44.7 Å²	44.7	31%	0.305	23%	0.231	S	C	.	.	H	α-helix	trans	-69.6	-33.3	176.3	-80.9	-29.6	0	0	0	111.7	Y322 D325 Y330 L331 E332	Y322-N328 HydrophobicContact CD1-CB 4.33Å; D325-N328 HydrophobicContact CB-CB 4.36Å; D325-N328 PolarHBondContact O-N 3.32Å; D325-N328 VanDerWaalsContact O-N 3.14Å; D325-N328 PolarHBondContact OD1-N 3.44Å; D325-N328 PolarHBondContact OD2-ND2 2.82Å; N328-Y330 PolarHBondContact O-N 2.81Å; N328-L331 PolarHBondContact O-N 3.03Å; N328-E332 PolarHBondContact O-N 3.33Å
329	C	98.4	Very high	97.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-57	-48.2	173.3	-167.3	0	0	0	0	111.5	Y322 D325 I326 M327 L331 F333	Y322-C329 WeakPolarHBondContact O-CB 3.01Å; D325-C329 WeakPolarHBondContact O-CB 3.12Å; D325-C329 PolarHBondContact O-N 2.83Å; I326-C329 HydrophobicContact CD1-CB 4.42Å; I326-C329 WeakPolarHBondContact O-CB 3.44Å; I326-C329 PolarHBondContact O-N 3.46Å; M327-C329 VanDerWaalsContact C-N 3.33Å; C329-L331 VanDerWaalsContact C-N 3.34Å; C329-L331 PolarHBondContact O-N 2.76Å; C329-F333 VanDerWaalsContact O-CB 3.24Å; C329-F333 WeakPolarHBondContact O-CB 3.38Å; C329-F333 PolarHBondContact O-N 3.36Å
330	Y	98.4	Very high	97.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-69.2	-33.8	179.1	-77.6	22.3	0	0	0	111.9	S304 T307 N308 I311 I326 M327 N328 F334 L416 A419 L420 Q423	S304-Y330 PolarHBondContact O-OH 3.44Å; T307-Y330 HydrophobicContact CG2-CD1 3.75Å; T307-Y330 HydrophobicContact CG2-CD2 3.97Å; T307-Y330 HydrophobicContact CG2-CE1 3.41Å; T307-Y330 VanDerWaalsContact CG2-CE1 3.41Å; T307-Y330 HydrophobicContact CG2-CE2 3.69Å; T307-Y330 HydrophobicContact CG2-CG 4.03Å; T307-Y330 VanDerWaalsContact CG2-CZ 3.4Å; N308-Y330 WeakPolarHBondContact OD1-CE1 3.27Å; N308-Y330 PolarHBondContact OD1-OH 2.82Å; I311-Y330 HydrophobicContact CD1-CD1 3.7Å; I311-Y330 HydrophobicContact CD1-CE1 3.96Å; I326-Y330 HydrophobicContact CD1-CD1 4.07Å; I326-Y330 HydrophobicContact CD1-CE1 3.51Å; I326-Y330 HydrophobicContact CG1-CD1 4.18Å; I326-Y330 HydrophobicContact CG1-CE1 3.75Å; I326-Y330 WeakPolarHBondContact O-CD1 3.4Å; I326-Y330 PolarHBondContact O-N 3.47Å; M327-Y330 PolarHBondContact O-N 2.99Å; N328-Y330 PolarHBondContact O-N 2.81Å; Y330-F334 VanDerWaalsContact O-CB 3.23Å; Y330-F334 WeakPolarHBondContact O-CB 3.21Å; Y330-F334 PolarHBondContact O-N 2.9Å; Y330-L416 HydrophobicContact CD2-CD2 4.37Å; Y330-A419 HydrophobicContact CE2-CB 4.31Å; Y330-L420 HydrophobicContact CD2-CD1 4.01Å; Y330-L420 HydrophobicContact CD2-CD2 3.57Å; Y330-L420 HydrophobicContact CD2-CG 3.58Å; Y330-L420 HydrophobicContact CE2-CD2 3.95Å; Y330-L420 HydrophobicContact CE2-CG 4.14Å; Y330-L420 HydrophobicContact CG-CD1 4.41Å; Y330-L420 HydrophobicContact CG-CD2 4.01Å; Y330-L420 HydrophobicContact CG-CG 4.31Å; Y330-Q423 PolarHBondContact OH-NE2 3.21Å
331	L	98.3	Very high	97.8	Very high	22 Å²	22	44.2 Å²	44.2	12%	0.115	22%	0.218	C	C	.	.	H	α-helix	trans	-68	-46.3	177.7	-171.7	66.2	0	0	0	112.1	M327 N328 C329 F334 K335 K443 F444 V447	M327-L331 PolarHBondContact O-N 2.84Å; M327-L331 VanDerWaalsContact O-N 3.11Å; N328-L331 PolarHBondContact O-N 3.03Å; C329-L331 VanDerWaalsContact C-N 3.34Å; C329-L331 PolarHBondContact O-N 2.76Å; L331-F334 PolarHBondContact O-N 3.01Å; L331-K335 WeakPolarHBondContact O-CB 3.44Å; L331-K335 PolarHBondContact O-N 3.33Å; L331-K443 HydrophobicContact CD1-CB 4.1Å; L331-K443 HydrophobicContact CD2-CB 4.23Å; L331-K443 HydrophobicContact CD2-CD 4.38Å; L331-F444 HydrophobicContact CD1-CD2 4.05Å; L331-F444 HydrophobicContact CD1-CE2 4.16Å; L331-F444 HydrophobicContact CD1-CG 4.25Å; L331-F444 HydrophobicContact CD1-CZ 4.47Å; L331-V447 HydrophobicContact CD1-CG2 3.69Å; L331-V447 HydrophobicContact CG-CG2 4.29Å
332	E	98.6	Very high	97.8	Very high	52 Å²	52	39.1 Å²	39.1	24%	0.243	19%	0.19	C	C	.	.	H	α-helix	trans	-69.8	-36.8	177	-72	-60.6	132.4	0	0	111.6	I318 Y322 N328 K335 E336	I318-E332 HydrophobicContact CG2-CB 4.09Å; Y322-E332 HydrophobicContact CD2-CB 4.25Å; Y322-E332 HydrophobicContact CD2-CG 4.34Å; Y322-E332 HydrophobicContact CE1-CG 4.3Å; Y322-E332 HydrophobicContact CE2-CB 4.11Å; Y322-E332 HydrophobicContact CE2-CG 3.9Å; N328-E332 PolarHBondContact O-N 3.33Å; E332-K335 PolarHBondContact O-N 3.41Å; E332-K335 IonicContact OE1-NZ 3.6Å; E332-K335 PolarHBondContact OE1-NZ 3.05Å; E332-K335 WeakPolarHBondContact OE2-CD 3.46Å; E332-K335 IonicContact OE2-NZ 3.38Å; E332-K335 PolarHBondContact OE2-NZ 3.4Å; E332-E336 PolarHBondContact O-N 3.36Å
333	F	98.8	Very high	97.8	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-56.3	-51.8	168.6	163.3	-118.3	0	0	0	111.6	T307 V310 I311 Y315 I318 C329 K335 E336 V337 I365 L416	T307-F333 HydrophobicContact CG2-CD1 4.16Å; T307-F333 HydrophobicContact CG2-CE1 4.06Å; V310-F333 HydrophobicContact CG1-CE2 3.76Å; V310-F333 HydrophobicContact CG1-CZ 3.81Å; I311-F333 HydrophobicContact CD1-CB 3.65Å; I311-F333 HydrophobicContact CD1-CD1 3.93Å; I311-F333 HydrophobicContact CD1-CD2 4.46Å; I311-F333 HydrophobicContact CD1-CG 3.76Å; I311-F333 HydrophobicContact CG1-CB 3.81Å; I311-F333 HydrophobicContact CG1-CD1 3.98Å; I311-F333 HydrophobicContact CG1-CD2 3.76Å; I311-F333 HydrophobicContact CG1-CE1 4.5Å; I311-F333 HydrophobicContact CG1-CE2 4.31Å; I311-F333 HydrophobicContact CG1-CG 3.56Å; Y315-F333 AromaticContact CD2-CD2 3.76Å; Y315-F333 HydrophobicContact CD2-CD2 3.76Å; Y315-F333 AromaticContact CD2-CE2 3.72Å; Y315-F333 HydrophobicContact CD2-CE2 3.72Å; Y315-F333 AromaticContact CE2-CD2 3.88Å; Y315-F333 HydrophobicContact CE2-CD2 3.88Å; Y315-F333 AromaticContact CE2-CE2 3.44Å; Y315-F333 HydrophobicContact CE2-CE2 3.44Å; Y315-F333 VanDerWaalsContact CE2-CE2 3.44Å; Y315-F333 HydrophobicContact CG-CD2 4.11Å; Y315-F333 HydrophobicContact CG-CE2 4.48Å; Y315-F333 AromaticContact CZ-CE2 3.95Å; I318-F333 HydrophobicContact CG2-CB 4.33Å; C329-F333 VanDerWaalsContact O-CB 3.24Å; C329-F333 WeakPolarHBondContact O-CB 3.38Å; C329-F333 PolarHBondContact O-N 3.36Å; F333-K335 VanDerWaalsContact C-N 3.31Å; F333-K335 PolarHBondContact O-N 2.86Å; F333-E336 PolarHBondContact O-N 2.84Å; F333-E336 VanDerWaalsContact O-N 3.13Å; F333-V337 HydrophobicContact CD2-CG2 3.86Å; F333-V337 HydrophobicContact CE1-CG2 4.41Å; F333-V337 HydrophobicContact CE2-CG2 3.36Å; F333-V337 HydrophobicContact CZ-CG2 3.69Å; F333-V337 WeakPolarHBondContact O-CG2 3.23Å; F333-V337 PolarHBondContact O-N 3.08Å; F333-I365 HydrophobicContact CE2-CG1 4.36Å; F333-I365 HydrophobicContact CZ-CD1 3.83Å; F333-I365 HydrophobicContact CZ-CG1 3.84Å; F333-L416 HydrophobicContact CD1-CD1 4.2Å; F333-L416 HydrophobicContact CE1-CD1 4.12Å; F333-L416 HydrophobicContact CE1-CD2 4.21Å
334	F	98.8	Very high	97.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.7	-42.5	-179.9	177.7	-113.7	0	0	0	112	Y330 L331 E336 V337 V338 C409 L412 A413 L416 F444 V447 L448	Y330-F334 VanDerWaalsContact O-CB 3.23Å; Y330-F334 WeakPolarHBondContact O-CB 3.21Å; Y330-F334 PolarHBondContact O-N 2.9Å; L331-F334 PolarHBondContact O-N 3.01Å; F334-E336 VanDerWaalsContact C-N 3.32Å; F334-E336 PolarHBondContact O-N 2.95Å; F334-V337 PolarHBondContact O-N 3.47Å; F334-V338 HydrophobicContact CD1-CG2 4.26Å; F334-V338 HydrophobicContact CD2-CG2 4.28Å; F334-V338 HydrophobicContact CE1-CG2 3.82Å; F334-V338 HydrophobicContact CE2-CG2 3.83Å; F334-V338 HydrophobicContact CG-CG2 4.48Å; F334-V338 HydrophobicContact CZ-CG2 3.57Å; F334-V338 WeakPolarHBondContact O-CB 3.27Å; F334-V338 VanDerWaalsContact O-CG2 3.28Å; F334-V338 WeakPolarHBondContact O-CG2 3.42Å; F334-V338 PolarHBondContact O-N 2.8Å; F334-C409 HydrophobicContact CE2-CB 4.37Å; F334-C409 VanDerWaalsContact CE2-O 3.26Å; F334-C409 WeakPolarHBondContact CE2-O 3.4Å; F334-C409 HydrophobicContact CZ-CB 4.43Å; F334-L412 HydrophobicContact CD2-CD2 4.41Å; F334-A413 HydrophobicContact CE1-CB 4.18Å; F334-A413 HydrophobicContact CE2-CB 3.82Å; F334-A413 HydrophobicContact CZ-CB 3.62Å; F334-L416 HydrophobicContact CB-CD1 3.97Å; F334-L416 HydrophobicContact CD2-CD1 3.94Å; F334-L416 HydrophobicContact CG-CD1 4.27Å; F334-F444 HydrophobicContact CB-CD1 4.13Å; F334-F444 HydrophobicContact CB-CE1 3.73Å; F334-F444 AromaticContact CD1-CD1 3.46Å; F334-F444 HydrophobicContact CD1-CD1 3.46Å; F334-F444 VanDerWaalsContact CD1-CD1 3.46Å; F334-F444 AromaticContact CD1-CE1 3.98Å; F334-F444 HydrophobicContact CD1-CE1 3.98Å; F334-F444 HydrophobicContact CD1-CG 4.37Å; F334-F444 HydrophobicContact CD2-CD1 4.36Å; F334-F444 HydrophobicContact CD2-CE1 4.47Å; F334-F444 HydrophobicContact CE1-CB 4.48Å; F334-F444 AromaticContact CE1-CD1 3.92Å; F334-F444 HydrophobicContact CE1-CD1 3.92Å; F334-F444 AromaticContact CG-CD1 3.71Å; F334-F444 HydrophobicContact CG-CD1 3.71Å; F334-F444 AromaticContact CG-CE1 3.8Å; F334-F444 HydrophobicContact CG-CE1 3.8Å; F334-V447 HydrophobicContact CD1-CB 4.05Å; F334-V447 HydrophobicContact CD1-CG1 3.78Å; F334-V447 HydrophobicContact CE1-CB 4.05Å; F334-V447 HydrophobicContact CE1-CG1 3.89Å; F334-L448 HydrophobicContact CE1-CD2 4.33Å; F334-L448 HydrophobicContact CE1-CG 4.02Å; F334-L448 HydrophobicContact CZ-CD1 4.2Å; F334-L448 HydrophobicContact CZ-CD2 3.84Å; F334-L448 HydrophobicContact CZ-CG 3.86Å
335	K	98.6	Very high	98	Very high	57 Å²	57	27.7 Å²	27.7	25%	0.248	13%	0.132	C	C	.	.	H	α-helix	trans	-60.5	-39	175.6	-178.1	-176.1	174.4	-165	0	112.7	L331 E332 F333 V338 K339 V447 T451	L331-K335 WeakPolarHBondContact O-CB 3.44Å; L331-K335 PolarHBondContact O-N 3.33Å; E332-K335 PolarHBondContact O-N 3.41Å; E332-K335 IonicContact OE1-NZ 3.6Å; E332-K335 PolarHBondContact OE1-NZ 3.05Å; E332-K335 WeakPolarHBondContact OE2-CD 3.46Å; E332-K335 IonicContact OE2-NZ 3.38Å; E332-K335 PolarHBondContact OE2-NZ 3.4Å; F333-K335 VanDerWaalsContact C-N 3.31Å; F333-K335 PolarHBondContact O-N 2.86Å; K335-V338 PolarHBondContact O-N 2.86Å; K335-K339 WeakPolarHBondContact O-CG 3.31Å; K335-K339 PolarHBondContact O-N 2.81Å; K335-V447 HydrophobicContact CB-CG1 3.78Å; K335-V447 HydrophobicContact CB-CG2 4.42Å; K335-V447 HydrophobicContact CG-CG1 4.11Å; K335-T451 HydrophobicContact CG-CG2 4.5Å
336	E	98.7	Very high	98.2	Very high	42 Å²	42	24.4 Å²	24.4	20%	0.196	11%	0.114	C	C	.	.	H	α-helix	trans	-70	-40.9	175	-177.9	59	-160.8	0	0	112.1	Y315 I318 E332 F333 F334 V338 K339 R340	Y315-E336 HydrophobicContact CD1-CB 4.44Å; Y315-E336 HydrophobicContact CD1-CG 3.8Å; Y315-E336 HydrophobicContact CE1-CB 4.34Å; Y315-E336 HydrophobicContact CE1-CG 3.61Å; I318-E336 HydrophobicContact CD1-CB 3.84Å; I318-E336 HydrophobicContact CD1-CG 4.3Å; E332-E336 PolarHBondContact O-N 3.36Å; F333-E336 PolarHBondContact O-N 2.84Å; F333-E336 VanDerWaalsContact O-N 3.13Å; F334-E336 VanDerWaalsContact C-N 3.32Å; F334-E336 PolarHBondContact O-N 2.95Å; E336-V338 VanDerWaalsContact C-N 3.31Å; E336-V338 PolarHBondContact O-N 3.23Å; E336-K339 PolarHBondContact O-N 3.32Å; E336-R340 WeakPolarHBondContact O-CG 3.49Å; E336-R340 PolarHBondContact O-N 3.39Å; E336-R340 IonicContact OE1-CZ 3.08Å; E336-R340 IonicContact OE1-NE 3.74Å; E336-R340 PolarHBondContact OE1-NE 3.4Å; E336-R340 IonicContact OE1-NH2 2.9Å
337	V	98.8	Very high	98.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-59.6	-42.9	172.7	174.9	0	0	0	0	111.3	F277 F333 F334 R340 T341 I365 L412	F277-V337 HydrophobicContact CE1-CG1 3.69Å; F277-V337 HydrophobicContact CZ-CG1 3.78Å; F333-V337 HydrophobicContact CD2-CG2 3.86Å; F333-V337 HydrophobicContact CE1-CG2 4.41Å; F333-V337 HydrophobicContact CE2-CG2 3.36Å; F333-V337 HydrophobicContact CZ-CG2 3.69Å; F333-V337 WeakPolarHBondContact O-CG2 3.23Å; F333-V337 PolarHBondContact O-N 3.08Å; F334-V337 PolarHBondContact O-N 3.47Å; V337-R340 PolarHBondContact O-N 3.01Å; V337-T341 WeakPolarHBondContact O-CB 3.32Å; V337-T341 PolarHBondContact O-N 3.34Å; V337-T341 PolarHBondContact O-OG1 3.25Å; V337-I365 HydrophobicContact CG1-CD1 4.39Å; V337-I365 HydrophobicContact CG2-CD1 4.27Å; V337-L412 HydrophobicContact CG1-CD2 3.8Å
338	V	98.7	Very high	98.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-59.7	-46.6	176	160.9	0	0	0	0	111.2	F334 K335 E336 T341 A342 C409 V447 L448 T451 Y452	F334-V338 HydrophobicContact CD1-CG2 4.26Å; F334-V338 HydrophobicContact CD2-CG2 4.28Å; F334-V338 HydrophobicContact CE1-CG2 3.82Å; F334-V338 HydrophobicContact CE2-CG2 3.83Å; F334-V338 HydrophobicContact CG-CG2 4.48Å; F334-V338 HydrophobicContact CZ-CG2 3.57Å; F334-V338 WeakPolarHBondContact O-CB 3.27Å; F334-V338 VanDerWaalsContact O-CG2 3.28Å; F334-V338 WeakPolarHBondContact O-CG2 3.42Å; F334-V338 PolarHBondContact O-N 2.8Å; K335-V338 PolarHBondContact O-N 2.86Å; E336-V338 VanDerWaalsContact C-N 3.31Å; E336-V338 PolarHBondContact O-N 3.23Å; V338-T341 PolarHBondContact O-N 3.25Å; V338-A342 VanDerWaalsContact O-CB 3.3Å; V338-A342 WeakPolarHBondContact O-CB 3.41Å; V338-A342 PolarHBondContact O-N 2.79Å; V338-C409 HydrophobicContact CG2-CB 4.16Å; V338-V447 HydrophobicContact CB-CG1 4.42Å; V338-V447 HydrophobicContact CG1-CG1 4.42Å; V338-V447 HydrophobicContact CG2-CG1 4.27Å; V338-L448 HydrophobicContact CG2-CD2 3.82Å; V338-T451 HydrophobicContact CG1-CG2 4.13Å; V338-Y452 HydrophobicContact CG1-CD2 4Å; V338-Y452 HydrophobicContact CG1-CG 4.42Å
339	K	98.7	Very high	98.6	Very high	58 Å²	58	18.4 Å²	18.4	25%	0.252	8%	0.083	S	C	.	.	H	α-helix	trans	-62.1	-46.9	176	-73.9	174	-177.1	174.1	0	112.2	K335 E336 T341 A342 N343 T451 Y455	K335-K339 WeakPolarHBondContact O-CG 3.31Å; K335-K339 PolarHBondContact O-N 2.81Å; E336-K339 PolarHBondContact O-N 3.32Å; K339-T341 VanDerWaalsContact C-N 3.34Å; K339-T341 PolarHBondContact O-N 2.97Å; K339-A342 PolarHBondContact O-N 2.77Å; K339-N343 WeakPolarHBondContact O-CB 3.19Å; K339-N343 PolarHBondContact O-N 3.38Å; K339-T451 HydrophobicContact CG-CG2 3.69Å; K339-Y455 HydrophobicContact CB-CD1 3.91Å; K339-Y455 HydrophobicContact CB-CE1 3.79Å; K339-Y455 HydrophobicContact CB-CG 4.33Å; K339-Y455 HydrophobicContact CD-CE2 4.35Å; K339-Y455 HydrophobicContact CG-CD1 4.19Å; K339-Y455 HydrophobicContact CG-CD2 4.13Å; K339-Y455 HydrophobicContact CG-CE1 4.3Å; K339-Y455 HydrophobicContact CG-CE2 4.29Å; K339-Y455 HydrophobicContact CG-CG 4.09Å; K339-Y455 VanDerWaalsContact O-CD1 3.28Å; K339-Y455 WeakPolarHBondContact O-CD1 3.48Å; K339-Y455 VanDerWaalsContact O-CE1 3.3Å; K339-Y455 WeakPolarHBondContact O-CE1 3.49Å
340	R	98.8	Very high	98.5	Very high	87 Å²	87	18.8 Å²	18.8	33%	0.328	9%	0.085	S	C	.	.	H	α-helix	trans	-61.7	-42.6	179.7	-73.7	175.9	174.2	-121.2	1.1	112.1	E336 V337 N343 L344 I366	E336-R340 WeakPolarHBondContact O-CG 3.49Å; E336-R340 PolarHBondContact O-N 3.39Å; E336-R340 IonicContact OE1-CZ 3.08Å; E336-R340 IonicContact OE1-NE 3.74Å; E336-R340 PolarHBondContact OE1-NE 3.4Å; E336-R340 IonicContact OE1-NH2 2.9Å; V337-R340 PolarHBondContact O-N 3.01Å; R340-N343 PolarHBondContact O-N 2.93Å; R340-L344 WeakPolarHBondContact O-CB 3.47Å; R340-L344 PolarHBondContact O-N 2.81Å; R340-I366 PolarHBondContact NH1-O 3.42Å
341	T	98.8	Very high	98.5	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.012	9%	0.089	C	C	.	.	H	α-helix	trans	-64.8	-45.3	176.2	-55.4	0	0	0	0	111.2	V337 V338 K339 N343 L344 V345 M363 C405 Y452	V337-T341 WeakPolarHBondContact O-CB 3.32Å; V337-T341 PolarHBondContact O-N 3.34Å; V337-T341 PolarHBondContact O-OG1 3.25Å; V338-T341 PolarHBondContact O-N 3.25Å; K339-T341 VanDerWaalsContact C-N 3.34Å; K339-T341 PolarHBondContact O-N 2.97Å; T341-N343 PolarHBondContact O-N 2.71Å; T341-L344 PolarHBondContact O-N 3.34Å; T341-V345 WeakPolarHBondContact O-CG1 3.47Å; T341-V345 PolarHBondContact O-N 3.03Å; T341-M363 HydrophobicContact CG2-CE 3.66Å; T341-C405 HydrophobicContact CG2-CB 3.83Å; T341-Y452 HydrophobicContact CG2-CE2 4.24Å
342	A	98.6	Very high	98.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.7	-40.9	176.3	0	0	0	0	0	112.5	V338 K339 A346 Y452 Y455 F456	V338-A342 VanDerWaalsContact O-CB 3.3Å; V338-A342 WeakPolarHBondContact O-CB 3.41Å; V338-A342 PolarHBondContact O-N 2.79Å; K339-A342 PolarHBondContact O-N 2.77Å; A342-A346 VanDerWaalsContact O-CB 3.3Å; A342-A346 WeakPolarHBondContact O-CB 3.41Å; A342-A346 PolarHBondContact O-N 3Å; A342-Y452 HydrophobicContact CB-CD2 3.9Å; A342-Y452 HydrophobicContact CB-CE2 3.92Å; A342-Y452 HydrophobicContact CB-CG 4.42Å; A342-Y455 HydrophobicContact CB-CD1 4.14Å; A342-F456 HydrophobicContact CB-CB 4.1Å
343	N	98.6	Very high	98.4	Very high	43 Å²	43	15.9 Å²	15.9	23%	0.23	7%	0.072	C	C	.	.	H	α-helix	trans	-62.7	-48	172.9	171.6	79.6	0	0	0	111.5	K339 R340 T341 V345 A346 L347 Y455 V459	K339-N343 WeakPolarHBondContact O-CB 3.19Å; K339-N343 PolarHBondContact O-N 3.38Å; R340-N343 PolarHBondContact O-N 2.93Å; T341-N343 PolarHBondContact O-N 2.71Å; N343-V345 PolarHBondContact O-N 2.77Å; N343-A346 WeakPolarHBondContact O-CB 3.45Å; N343-A346 PolarHBondContact O-N 3.38Å; N343-L347 WeakPolarHBondContact O-CG 3.13Å; N343-L347 PolarHBondContact O-N 3.13Å; N343-Y455 HydrophobicContact CB-CD1 4.49Å; N343-Y455 HydrophobicContact CB-CE1 3.97Å; N343-V459 HydrophobicContact CB-CG2 4.35Å; N343-V459 WeakPolarHBondContact OD1-CG1 3.43Å
344	L	98.8	Very high	98.4	Very high	5 Å²	5	15.9 Å²	15.9	3%	0.026	7%	0.072	C	C	.	.	H	α-helix	trans	-57	-51.3	-178.5	-178.8	64.4	0	0	0	111.6	I234 P235 R340 T341 A346 L347 W348	I234-L344 HydrophobicContact CG2-CD1 3.89Å; P235-L344 HydrophobicContact CB-CD1 4.21Å; P235-L344 HydrophobicContact CG-CD1 4.45Å; P235-L344 WeakPolarHBondContact O-CD1 3.19Å; R340-L344 WeakPolarHBondContact O-CB 3.47Å; R340-L344 PolarHBondContact O-N 2.81Å; T341-L344 PolarHBondContact O-N 3.34Å; L344-A346 VanDerWaalsContact C-N 3.35Å; L344-A346 PolarHBondContact O-N 3.45Å; L344-L347 WeakPolarHBondContact O-CB 3.18Å; L344-L347 PolarHBondContact O-N 2.9Å; L344-L347 VanDerWaalsContact O-N 3.17Å; L344-W348 HydrophobicContact CD1-CZ2 4.1Å; L344-W348 HydrophobicContact CD2-CH2 3.93Å; L344-W348 HydrophobicContact CD2-CZ2 3.46Å; L344-W348 VanDerWaalsContact CD2-CZ2 3.46Å; L344-W348 HydrophobicContact CG-CD2 4.4Å; L344-W348 HydrophobicContact CG-CH2 4.24Å; L344-W348 HydrophobicContact CG-CZ2 3.55Å; L344-W348 PolarHBondContact O-N 3.32Å
345	V	98.5	Very high	98.3	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.006	7%	0.072	C	C	.	.	H	α-helix	trans	-68.9	-33.2	179.8	69.9	0	0	0	0	111.9	T341 N343 L347 W348 Q349 Q401 P402 F456	T341-V345 WeakPolarHBondContact O-CG1 3.47Å; T341-V345 PolarHBondContact O-N 3.03Å; N343-V345 PolarHBondContact O-N 2.77Å; V345-L347 VanDerWaalsContact C-N 3.28Å; V345-L347 PolarHBondContact O-N 3.23Å; V345-W348 HydrophobicContact CB-CE3 4.13Å; V345-W348 HydrophobicContact CG2-CE3 3.96Å; V345-W348 HydrophobicContact CG2-CZ3 4.47Å; V345-W348 WeakPolarHBondContact O-CB 3.24Å; V345-W348 PolarHBondContact O-N 3.03Å; V345-Q349 WeakPolarHBondContact O-CG 3.25Å; V345-Q349 PolarHBondContact O-N 2.92Å; V345-Q401 HydrophobicContact CG2-CB 3.73Å; V345-P402 HydrophobicContact CG2-CB 4.47Å; V345-P402 HydrophobicContact CG2-CG 4.12Å; V345-F456 HydrophobicContact CG1-CD2 3.64Å; V345-F456 HydrophobicContact CG1-CE2 3.87Å
346	A	98.5	Very high	98.1	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-60.1	-39.5	171.5	0	0	0	0	0	112.1	A342 N343 L344 Q349 T350 F456 V459	A342-A346 VanDerWaalsContact O-CB 3.3Å; A342-A346 WeakPolarHBondContact O-CB 3.41Å; A342-A346 PolarHBondContact O-N 3Å; N343-A346 WeakPolarHBondContact O-CB 3.45Å; N343-A346 PolarHBondContact O-N 3.38Å; L344-A346 VanDerWaalsContact C-N 3.35Å; L344-A346 PolarHBondContact O-N 3.45Å; A346-Q349 PolarHBondContact O-N 3.39Å; A346-T350 WeakPolarHBondContact O-CG2 3.37Å; A346-T350 PolarHBondContact O-N 2.94Å; A346-F456 VanDerWaalsContact CA-CE2 3.49Å; A346-F456 HydrophobicContact CB-CD2 3.68Å; A346-F456 HydrophobicContact CB-CE2 3.87Å; A346-F456 HydrophobicContact CB-CG 4.46Å; A346-V459 HydrophobicContact CB-CB 3.91Å; A346-V459 HydrophobicContact CB-CG1 3.72Å
347	L	98.7	Very high	97.9	Very high	7 Å²	7	11.8 Å²	11.8	4%	0.037	5%	0.054	C	C	.	.	H	α-helix	trans	-66.1	-43.8	175.5	-65.7	173.9	0	0	0	111.6	I234 N343 L344 V345 Q349 T350 V351 R463	I234-L347 HydrophobicContact CD1-CB 4.21Å; I234-L347 HydrophobicContact CG1-CB 4.09Å; I234-L347 HydrophobicContact CG2-CB 4.11Å; I234-L347 HydrophobicContact CG2-CD1 4.37Å; N343-L347 WeakPolarHBondContact O-CG 3.13Å; N343-L347 PolarHBondContact O-N 3.13Å; L344-L347 WeakPolarHBondContact O-CB 3.18Å; L344-L347 PolarHBondContact O-N 2.9Å; L344-L347 VanDerWaalsContact O-N 3.17Å; V345-L347 VanDerWaalsContact C-N 3.28Å; V345-L347 PolarHBondContact O-N 3.23Å; L347-Q349 VanDerWaalsContact C-N 3.29Å; L347-Q349 PolarHBondContact O-N 2.88Å; L347-T350 PolarHBondContact O-N 3Å; L347-T350 PolarHBondContact O-OG1 3.48Å; L347-V351 PolarHBondContact O-N 3.18Å; L347-R463 HydrophobicContact CD2-CG 3.93Å
348	W	98.7	Very high	97.8	Very high	3 Å²	3	11.8 Å²	11.8	1%	0.011	5%	0.054	C	C	.	.	H	α-helix	trans	-55.5	-44.6	174.9	-64.4	-12.7	0	0	0	112.3	M229 L344 V345 T350 V351 G352 F353 H355 L358 T369	M229-W348 VanDerWaalsContact CE-CD1 3.43Å; L344-W348 HydrophobicContact CD1-CZ2 4.1Å; L344-W348 HydrophobicContact CD2-CH2 3.93Å; L344-W348 HydrophobicContact CD2-CZ2 3.46Å; L344-W348 VanDerWaalsContact CD2-CZ2 3.46Å; L344-W348 HydrophobicContact CG-CD2 4.4Å; L344-W348 HydrophobicContact CG-CH2 4.24Å; L344-W348 HydrophobicContact CG-CZ2 3.55Å; L344-W348 PolarHBondContact O-N 3.32Å; V345-W348 HydrophobicContact CB-CE3 4.13Å; V345-W348 HydrophobicContact CG2-CE3 3.96Å; V345-W348 HydrophobicContact CG2-CZ3 4.47Å; V345-W348 WeakPolarHBondContact O-CB 3.24Å; V345-W348 PolarHBondContact O-N 3.03Å; W348-T350 VanDerWaalsContact C-N 3.29Å; W348-T350 PolarHBondContact O-N 3.41Å; W348-V351 PolarHBondContact O-N 3.22Å; W348-G352 PolarHBondContact O-N 3.3Å; W348-G352 VanDerWaalsContact O-N 3.15Å; W348-F353 HydrophobicContact CB-CB 4.28Å; W348-F353 HydrophobicContact CB-CD1 3.99Å; W348-F353 AromaticContact CD1-CD1 3.74Å; W348-F353 AromaticContact CD2-CD1 3.91Å; W348-F353 HydrophobicContact CD2-CD1 3.91Å; W348-F353 HydrophobicContact CD2-CE1 4.16Å; W348-F353 AromaticContact CG-CD1 3.62Å; W348-F353 HydrophobicContact CG-CD1 3.62Å; W348-F353 HydrophobicContact CG-CE1 4.29Å; W348-F353 PolarHBondContact O-N 2.89Å; W348-H355 AromaticContact CH2-CD2 3.73Å; W348-H355 HydrophobicContact CZ3-CB 4.5Å; W348-L358 HydrophobicContact CH2-CD2 3.71Å; W348-L358 HydrophobicContact CZ3-CD1 4.25Å; W348-L358 HydrophobicContact CZ3-CD2 3.54Å; W348-T369 HydrophobicContact CZ2-CG2 3.82Å; W348-T369 PolarHBondContact NE1-OG1 3.34Å
349	Q	97.5	Very high	97.6	Very high	8 Å²	8	12 Å²	12	4%	0.037	6%	0.056	C	C	.	.	H	α-helix	trans	-62.7	-36.3	177.9	-61.2	-70.8	-49.1	0	0	111.4	V345 A346 L347 V351 G352 Y398 P402 F456 Y460	V345-Q349 WeakPolarHBondContact O-CG 3.25Å; V345-Q349 PolarHBondContact O-N 2.92Å; A346-Q349 PolarHBondContact O-N 3.39Å; L347-Q349 VanDerWaalsContact C-N 3.29Å; L347-Q349 PolarHBondContact O-N 2.88Å; Q349-V351 VanDerWaalsContact C-N 3.26Å; Q349-V351 PolarHBondContact O-N 3.06Å; Q349-G352 PolarHBondContact O-N 3.14Å; Q349-Y398 WeakPolarHBondContact CA-OH 3.45Å; Q349-Y398 PolarHBondContact NE2-O 3.43Å; Q349-Y398 PolarHBondContact O-OH 3.47Å; Q349-Y398 VanDerWaalsContact OE1-CE1 3.28Å; Q349-Y398 PolarHBondContact OE1-OH 3.48Å; Q349-P402 HydrophobicContact CG-CG 4.3Å; Q349-F456 HydrophobicContact CG-CE2 4.11Å; Q349-F456 HydrophobicContact CG-CZ 4.1Å; Q349-Y460 HydrophobicContact CB-CD2 3.99Å; Q349-Y460 HydrophobicContact CB-CE2 3.82Å
350	T	97.6	Very high	97.6	Very high	7 Å²	7	9.2 Å²	9.2	4%	0.043	4%	0.044	C	C	.	.	H	α-helix	trans	-74.2	-16.3	-176.8	66.5	0	0	0	0	113.9	A346 L347 W348 Y460 R463 M464 K467	A346-T350 WeakPolarHBondContact O-CG2 3.37Å; A346-T350 PolarHBondContact O-N 2.94Å; L347-T350 PolarHBondContact O-N 3Å; L347-T350 PolarHBondContact O-OG1 3.48Å; W348-T350 VanDerWaalsContact C-N 3.29Å; W348-T350 PolarHBondContact O-N 3.41Å; T350-Y460 HydrophobicContact CG2-CD2 3.79Å; T350-Y460 HydrophobicContact CG2-CE2 4.15Å; T350-R463 HydrophobicContact CG2-CB 3.5Å; T350-R463 HydrophobicContact CG2-CG 4.42Å; T350-M464 HydrophobicContact CG2-CG 4.11Å; T350-M464 HydrophobicContact CG2-SD 4Å; T350-K467 VanDerWaalsContact O-CD 3.29Å; T350-K467 WeakPolarHBondContact O-CD 3.15Å; T350-K467 WeakPolarHBondContact O-CE 3.39Å; T350-K467 PolarHBondContact O-NZ 3.39Å
351	V	97.7	Very high	97.6	Very high	13 Å²	13	5.5 Å²	5.5	8%	0.079	3%	0.03	C	C	.	.	H	α-helix	trans	-112.2	3.8	177.9	-57.4	0	0	0	0	113.8	I234 L347 W348 Q349 F353 F377	I234-V351 HydrophobicContact CD1-CB 4.48Å; I234-V351 HydrophobicContact CD1-CG1 4.07Å; I234-V351 HydrophobicContact CD1-CG2 3.59Å; L347-V351 PolarHBondContact O-N 3.18Å; W348-V351 PolarHBondContact O-N 3.22Å; Q349-V351 VanDerWaalsContact C-N 3.26Å; Q349-V351 PolarHBondContact O-N 3.06Å; V351-F353 VanDerWaalsContact C-N 3.32Å; V351-F353 HydrophobicContact CG2-CB 3.91Å; V351-F353 PolarHBondContact O-N 3.46Å; V351-F377 HydrophobicContact CB-CE1 4.42Å; V351-F377 HydrophobicContact CG2-CE1 3.95Å
352	G	97.2	Very high	97.6	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	27.2	178.8	0	0	0	0	0	113.6	W348 Q349 F377 M378 F496	W348-G352 PolarHBondContact O-N 3.3Å; W348-G352 VanDerWaalsContact O-N 3.15Å; Q349-G352 PolarHBondContact O-N 3.14Å; G352-F377 WeakPolarHBondContact O-CA 3.25Å; G352-M378 PolarHBondContact O-N 3.33Å; G352-F496 VanDerWaalsContact N-CE1 3.27Å; G352-F496 VanDerWaalsContact N-CZ 3.28Å
353	F	98.1	Very high	97.6	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	128.4	177.4	176.1	-100	0	0	0	110.9	M229 W348 V351 H355 T369 Y372 F375 F377 Q401	M229-F353 HydrophobicContact CE-CD1 4.05Å; M229-F353 HydrophobicContact CE-CD2 4.43Å; M229-F353 HydrophobicContact CE-CE1 4.22Å; M229-F353 HydrophobicContact CE-CG 4.15Å; M229-F353 HydrophobicContact CE-CZ 4.49Å; M229-F353 HydrophobicContact SD-CD2 4.25Å; M229-F353 HydrophobicContact SD-CG 4.39Å; W348-F353 HydrophobicContact CB-CB 4.28Å; W348-F353 HydrophobicContact CB-CD1 3.99Å; W348-F353 AromaticContact CD1-CD1 3.74Å; W348-F353 AromaticContact CD2-CD1 3.91Å; W348-F353 HydrophobicContact CD2-CD1 3.91Å; W348-F353 HydrophobicContact CD2-CE1 4.16Å; W348-F353 AromaticContact CG-CD1 3.62Å; W348-F353 HydrophobicContact CG-CD1 3.62Å; W348-F353 HydrophobicContact CG-CE1 4.29Å; W348-F353 PolarHBondContact O-N 2.89Å; V351-F353 VanDerWaalsContact C-N 3.32Å; V351-F353 HydrophobicContact CG2-CB 3.91Å; V351-F353 PolarHBondContact O-N 3.46Å; F353-H355 HydrophobicContact CE1-CB 3.84Å; F353-H355 HydrophobicContact CZ-CB 4.34Å; F353-T369 HydrophobicContact CE1-CG2 4.09Å; F353-T369 HydrophobicContact CZ-CG2 4.14Å; F353-Y372 HydrophobicContact CE2-CE1 4.37Å; F353-Y372 HydrophobicContact CZ-CD1 4.38Å; F353-Y372 HydrophobicContact CZ-CE1 4.07Å; F353-F375 HydrophobicContact CE2-CB 3.7Å; F353-F375 AromaticContact CE2-CD2 3.88Å; F353-F375 HydrophobicContact CE2-CD2 3.88Å; F353-F375 HydrophobicContact CE2-CG 4.01Å; F353-F375 HydrophobicContact CZ-CB 3.87Å; F353-F375 HydrophobicContact CZ-CG 4.49Å; F353-F377 HydrophobicContact CB-CD1 4.3Å; F353-F377 HydrophobicContact CB-CE1 4.06Å; F353-F377 HydrophobicContact CB-CZ 4.44Å; F353-F377 HydrophobicContact CD2-CD2 4.17Å; F353-F377 HydrophobicContact CD2-CE1 4.24Å; F353-F377 AromaticContact CD2-CE2 3.79Å; F353-F377 HydrophobicContact CD2-CE2 3.79Å; F353-F377 AromaticContact CD2-CZ 3.83Å; F353-F377 HydrophobicContact CD2-CZ 3.83Å; F353-F377 HydrophobicContact CE2-CE2 4.34Å; F353-Q401 PolarHBondContact O-NE2 2.95Å
354	C	97.2	Very high	97.6	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	119.3	170.6	-174.3	0	0	0	0	109.3	F375 G376 S387 Y396	C354-F375 CarbonylContact O-C 3.56Å; C354-F375 WeakPolarHBondContact O-CA 3.23Å; C354-F375 WeakPolarHBondContact O-CB 3.44Å; C354-G376 PolarHBondContact N-O 3.49Å; C354-G376 PolarHBondContact O-N 3.21Å; C354-S387 PolarHBondContact O-OG 2.97Å; C354-S387 PolarHBondContact SG-OG 2.99Å; C354-Y396 PolarHBondContact SG-O 3.08Å; C354-Y396 VanDerWaalsContact SG-O 3.37Å
355	H	97.3	Very high	97.6	Very high	1 Å²	1	3.9 Å²	3.9	1%	0.005	2%	0.022	C	C	.	.			trans	-73.7	-34.1	-176.1	-168.4	-54.2	0	0	0	113	W348 F353 V357 L358 I370 D371	W348-H355 AromaticContact CH2-CD2 3.73Å; W348-H355 HydrophobicContact CZ3-CB 4.5Å; F353-H355 HydrophobicContact CE1-CB 3.84Å; F353-H355 HydrophobicContact CZ-CB 4.34Å; H355-V357 VanDerWaalsContact C-N 3.26Å; H355-V357 PolarHBondContact O-N 2.67Å; H355-V357 VanDerWaalsContact O-N 3.15Å; H355-L358 HydrophobicContact CB-CD2 3.72Å; H355-L358 HydrophobicContact CB-CG 3.98Å; H355-I370 PolarHBondContact CE1-O 3.17Å; H355-I370 PolarHBondContact NE2-O 3.44Å; H355-D371 PolarHBondContact CE1-O 2.78Å
356	G	93.8	Very high	97.6	Very high	1 Å²	1	4.4 Å²	4.4	1%	0.01	3%	0.025	C	C	.	.	S	Bend	trans	76.9	-16.4	177.6	0	0	0	0	0	117.3	S387 N388 Y396	G356-S387 WeakPolarHBondContact CA-OG 2.98Å; G356-N388 WeakPolarHBondContact O-CB 3.16Å; G356-N388 PolarHBondContact O-ND2 3.31Å; G356-Y396 VanDerWaalsContact O-CD2 3.32Å; G356-Y396 WeakPolarHBondContact O-CD2 3.05Å
357	V	94.8	Very high	97.6	Very high	11 Å²	11	4.7 Å²	4.7	7%	0.067	3%	0.027	C	C	.	.			trans	-147.3	71.7	179.5	-167.7	0	0	0	0	111.3	H355 N359 N362 P374	H355-V357 VanDerWaalsContact C-N 3.26Å; H355-V357 PolarHBondContact O-N 2.67Å; H355-V357 VanDerWaalsContact O-N 3.15Å; V357-N359 VanDerWaalsContact CG1-ND2 3.27Å; V357-N359 WeakPolarHBondContact CG1-ND2 3.29Å; V357-N359 PolarHBondContact O-N 2.92Å; V357-N359 VanDerWaalsContact O-N 3.09Å; V357-N362 PolarHBondContact O-ND2 3.18Å; V357-P374 VanDerWaalsContact CG2-CD 3.49Å; V357-P374 HydrophobicContact CG2-CG 3.41Å; V357-P374 VanDerWaalsContact CG2-CG 3.41Å
358	L	96.3	Very high	97.6	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.032	C	C	.	.			trans	-87.8	52.6	178.5	-64.8	171.9	0	0	0	111.5	W348 H355 M363 Y396 Q401 I404 N408	W348-L358 HydrophobicContact CH2-CD2 3.71Å; W348-L358 HydrophobicContact CZ3-CD1 4.25Å; W348-L358 HydrophobicContact CZ3-CD2 3.54Å; H355-L358 HydrophobicContact CB-CD2 3.72Å; H355-L358 HydrophobicContact CB-CG 3.98Å; L358-M363 HydrophobicContact CD2-SD 4.08Å; L358-Y396 HydrophobicContact CB-CD1 3.68Å; L358-Y396 HydrophobicContact CB-CE1 3.79Å; L358-Y396 HydrophobicContact CB-CG 4.42Å; L358-Y396 HydrophobicContact CG-CD1 4.44Å; L358-Y396 WeakPolarHBondContact O-CE1 3.46Å; L358-Q401 HydrophobicContact CD1-CB 3.8Å; L358-Q401 HydrophobicContact CD1-CG 3.83Å; L358-I404 HydrophobicContact CB-CG2 3.59Å; L358-I404 HydrophobicContact CD1-CG2 4.23Å; L358-N408 PolarHBondContact O-ND2 2.95Å
359	N	96.3	Very high	97.6	Very high	5 Å²	5	5.4 Å²	5.4	3%	0.027	3%	0.031	C	C	.	.			trans	-68.5	158.4	167.8	-59.3	-24.2	0	0	0	110.1	Y166 Q167 F168 V357 D361 N362 Y396	Y166-N359 VanDerWaalsContact O-CA 3.32Å; Y166-N359 WeakPolarHBondContact O-CA 3.34Å; Y166-N359 VanDerWaalsContact O-CB 3.24Å; Y166-N359 WeakPolarHBondContact O-CB 3.05Å; Q167-N359 WeakPolarHBondContact CA-OD1 3.27Å; F168-N359 PolarHBondContact N-OD1 2.86Å; F168-N359 VanDerWaalsContact N-OD1 3.11Å; V357-N359 VanDerWaalsContact CG1-ND2 3.27Å; V357-N359 WeakPolarHBondContact CG1-ND2 3.29Å; V357-N359 PolarHBondContact O-N 2.92Å; V357-N359 VanDerWaalsContact O-N 3.09Å; N359-D361 WeakPolarHBondContact CB-OD1 3.18Å; N359-D361 PolarHBondContact O-N 3.31Å; N359-N362 WeakPolarHBondContact O-CA 3.25Å; N359-N362 PolarHBondContact O-N 2.69Å; N359-Y396 PolarHBondContact OD1-OH 3Å
360	T	98.3	Very high	97.6	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.03	C	C	.	.	G	3₁₀ helix	trans	-67	-24.5	178.5	57	0	0	0	0	112.9	G165 Y166 F277 G278 E281 N362 M363 W407 N408 R411	G165-T360 WeakPolarHBondContact CA-OG1 3.47Å; Y166-T360 HydrophobicContact CD2-CG2 4.21Å; Y166-T360 PolarHBondContact N-OG1 3.22Å; Y166-T360 PolarHBondContact O-N 3.02Å; F277-T360 WeakPolarHBondContact CB-O 3.47Å; G278-T360 PolarHBondContact N-O 2.82Å; E281-T360 VanDerWaalsContact CD-OG1 3.25Å; E281-T360 WeakPolarHBondContact OE1-CB 3.35Å; E281-T360 WeakPolarHBondContact OE1-CG2 3.19Å; E281-T360 PolarHBondContact OE1-OG1 3.02Å; E281-T360 PolarHBondContact OE2-OG1 3.28Å; T360-N362 PolarHBondContact O-N 2.96Å; T360-M363 PolarHBondContact O-N 3.48Å; T360-W407 HydrophobicContact CG2-CZ3 4.15Å; T360-N408 HydrophobicContact CG2-CB 4.09Å; T360-N408 VanDerWaalsContact CG2-OD1 3.27Å; T360-N408 WeakPolarHBondContact CG2-OD1 3.26Å; T360-R411 HydrophobicContact CG2-CB 4.01Å; T360-R411 HydrophobicContact CG2-CG 4.16Å
361	D	98	Very high	97.5	Very high	9 Å²	9	6.7 Å²	6.7	5%	0.048	4%	0.038	C	C	.	.	G	3₁₀ helix	trans	-71.8	-4.4	168.7	59.4	-59.2	0	0	0	113.6	Y163 C164 L175 R276 N359	Y163-D361 HydrophobicContact CD2-CB 3.76Å; Y163-D361 HydrophobicContact CE2-CB 3.71Å; C164-D361 WeakPolarHBondContact O-CB 3.37Å; L175-D361 HydrophobicContact CD1-CB 3.95Å; L175-D361 VanDerWaalsContact CD1-CG 3.48Å; L175-D361 WeakPolarHBondContact CD1-OD2 3.43Å; R276-D361 WeakPolarHBondContact CD-O 3.27Å; R276-D361 PolarHBondContact NH1-O 3.06Å; N359-D361 WeakPolarHBondContact CB-OD1 3.18Å; N359-D361 PolarHBondContact O-N 3.31Å
362	N	98	Very high	97.3	Very high	6 Å²	6	6.4 Å²	6.4	3%	0.032	4%	0.035	C	C	.	.	G	3₁₀ helix	trans	-116.6	17.8	174.2	-70.8	-12.3	0	0	0	112.5	V357 N359 T360 I370 D371	V357-N362 PolarHBondContact O-ND2 3.18Å; N359-N362 WeakPolarHBondContact O-CA 3.25Å; N359-N362 PolarHBondContact O-N 2.69Å; T360-N362 PolarHBondContact O-N 2.96Å; N362-I370 WeakPolarHBondContact O-CG2 3.39Å; N362-D371 HydrophobicContact CB-CB 4.45Å; N362-D371 PolarHBondContact ND2-OD2 3.42Å; N362-D371 VanDerWaalsContact ND2-OD2 3.1Å; N362-D371 WeakPolarHBondContact OD1-CB 3.37Å; N362-D371 PolarHBondContact OD1-OD2 2.78Å
363	M	98.8	Very high	96.9	Very high	5 Å²	5	7 Å²	7	3%	0.025	4%	0.042	C	C	.	.			trans	-104.5	110.6	173.6	-61.7	-58.4	-63	0	0	109.8	R276 F277 T341 L358 T360 C405 N408	R276-M363 CarbonylContact C-O 3.5Å; R276-M363 WeakPolarHBondContact CA-O 3.48Å; R276-M363 WeakPolarHBondContact CB-O 3.49Å; F277-M363 HydrophobicContact CB-CB 4.11Å; F277-M363 HydrophobicContact CD1-CB 3.9Å; F277-M363 WeakPolarHBondContact CD1-O 3.43Å; F277-M363 HydrophobicContact CD2-CB 3.45Å; F277-M363 VanDerWaalsContact CD2-CB 3.45Å; F277-M363 HydrophobicContact CD2-CG 3.95Å; F277-M363 HydrophobicContact CE1-CB 4.12Å; F277-M363 HydrophobicContact CE2-CB 3.7Å; F277-M363 HydrophobicContact CE2-CE 4.25Å; F277-M363 HydrophobicContact CE2-CG 4.14Å; F277-M363 HydrophobicContact CG-CB 3.55Å; F277-M363 HydrophobicContact CG-CG 4.47Å; F277-M363 HydrophobicContact CZ-CB 4.03Å; F277-M363 PolarHBondContact N-O 3.35Å; T341-M363 HydrophobicContact CG2-CE 3.66Å; L358-M363 HydrophobicContact CD2-SD 4.08Å; T360-M363 PolarHBondContact O-N 3.48Å; M363-C405 HydrophobicContact CE-CB 4.19Å; M363-N408 HydrophobicContact CG-CB 3.86Å; M363-N408 VanDerWaalsContact CG-ND2 3.25Å; M363-N408 WeakPolarHBondContact CG-ND2 3.39Å; M363-N408 PolarHBondContact SD-ND2 3.45Å; M363-N408 VanDerWaalsContact SD-ND2 3.4Å
364	S	98.8	Very high	96.6	Very high	4 Å²	4	7.1 Å²	7.1	3%	0.028	4%	0.042	C	C	.	.	B	Isolated β-bridge	trans	-66.5	134.9	177.1	174.8	0	0	0	0	111.4	F277 I366 G367 L368	F277-S364 WeakPolarHBondContact CE1-O 3.4Å; S364-I366 PolarHBondContact O-N 3.4Å; S364-I366 WeakPolarHBondContact OG-CG1 3.41Å; S364-I366 PolarHBondContact OG-N 2.85Å; S364-G367 PolarHBondContact O-N 3.22Å; S364-L368 VanDerWaalsContact CB-O 3.23Å; S364-L368 WeakPolarHBondContact CB-O 3.37Å; S364-L368 PolarHBondContact OG-N 2.87Å
365	I	98.8	Very high	96.5	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-27.6	178.1	-160.3	58.3	0	0	0	112.5	T273 I275 F277 F280 V310 Y315 F333 V337 L412	T273-I365 HydrophobicContact CG2-CG2 4.26Å; I275-I365 HydrophobicContact CB-CG2 3.84Å; I275-I365 HydrophobicContact CG2-CB 4.11Å; I275-I365 HydrophobicContact CG2-CG2 3.76Å; I275-I365 WeakPolarHBondContact O-CG2 3.49Å; I275-I365 PolarHBondContact O-N 3.26Å; F277-I365 HydrophobicContact CD1-CD1 3.87Å; F277-I365 HydrophobicContact CE1-CD1 4.03Å; F280-I365 HydrophobicContact CD2-CD1 4.36Å; F280-I365 HydrophobicContact CE2-CB 4.38Å; F280-I365 HydrophobicContact CE2-CD1 3.54Å; F280-I365 HydrophobicContact CE2-CG1 3.77Å; F280-I365 HydrophobicContact CZ-CD1 3.97Å; F280-I365 HydrophobicContact CZ-CG1 3.98Å; V310-I365 HydrophobicContact CG1-CG1 3.92Å; V310-I365 HydrophobicContact CG1-CG2 4.13Å; Y315-I365 PolarHBondContact OH-O 3.31Å; F333-I365 HydrophobicContact CE2-CG1 4.36Å; F333-I365 HydrophobicContact CZ-CD1 3.83Å; F333-I365 HydrophobicContact CZ-CG1 3.84Å; V337-I365 HydrophobicContact CG1-CD1 4.39Å; V337-I365 HydrophobicContact CG2-CD1 4.27Å; I365-L412 HydrophobicContact CD1-CD1 4.18Å; I365-L412 HydrophobicContact CD1-CD2 3.65Å
366	I	98.6	Very high	96.4	Very high	13 Å²	13	7 Å²	7	7%	0.067	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	6	180	55.2	160	0	0	0	114.4	K272 T273 F314 Y315 R340 S364 L368	K272-I366 HydrophobicContact CB-CD1 3.85Å; T273-I366 HydrophobicContact CG2-CD1 3.88Å; T273-I366 HydrophobicContact CG2-CG1 3.96Å; T273-I366 HydrophobicContact CG2-CG2 4.05Å; F314-I366 HydrophobicContact CB-CG2 3.73Å; F314-I366 HydrophobicContact CD2-CG2 4.47Å; F314-I366 HydrophobicContact CG-CG2 4.01Å; Y315-I366 HydrophobicContact CE2-CG2 4.12Å; Y315-I366 WeakPolarHBondContact OH-CA 3.34Å; R340-I366 PolarHBondContact NH1-O 3.42Å; S364-I366 PolarHBondContact O-N 3.4Å; S364-I366 WeakPolarHBondContact OG-CG1 3.41Å; S364-I366 PolarHBondContact OG-N 2.85Å; I366-L368 HydrophobicContact CD1-CD1 3.56Å; I366-L368 HydrophobicContact CD1-CD2 4.43Å; I366-L368 HydrophobicContact CD1-CG 3.83Å; I366-L368 HydrophobicContact CG1-CD1 4.08Å; I366-L368 HydrophobicContact CG1-CG 3.93Å
367	G	98.6	Very high	96.5	Very high	5 Å²	5	7.2 Å²	7.2	5%	0.052	4%	0.042	C	C	.	.	S	Bend	trans	77.8	38.4	176	0	0	0	0	0	114.7	P235 S364	P235-G367 WeakPolarHBondContact CB-O 3.21Å; S364-G367 PolarHBondContact O-N 3.22Å
368	L	98.8	Very high	96.4	Very high	26 Å²	26	6.7 Å²	6.7	14%	0.136	4%	0.04	C	C	.	.			trans	-94.8	146.4	170	-55.9	179.3	0	0	0	111.9	P235 T237 A271 S364 I366	P235-L368 HydrophobicContact CB-CD2 3.87Å; T237-L368 HydrophobicContact CG2-CD1 4.37Å; A271-L368 HydrophobicContact CB-CD1 4.14Å; S364-L368 VanDerWaalsContact CB-O 3.23Å; S364-L368 WeakPolarHBondContact CB-O 3.37Å; S364-L368 PolarHBondContact OG-N 2.87Å; I366-L368 HydrophobicContact CD1-CD1 3.56Å; I366-L368 HydrophobicContact CD1-CD2 4.43Å; I366-L368 HydrophobicContact CD1-CG 3.83Å; I366-L368 HydrophobicContact CG1-CD1 4.08Å; I366-L368 HydrophobicContact CG1-CG 3.93Å
369	T	98.9	Very high	96.2	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.048	C	C	.	.	B	Isolated β-bridge	trans	-63.5	130.3	158.5	-43.7	0	0	0	0	108.7	M229 P235 T236 T237 W348 F353 Y372	M229-T369 HydrophobicContact CE-CG2 4.15Å; P235-T369 WeakPolarHBondContact O-CB 3.3Å; P235-T369 PolarHBondContact O-N 3.18Å; P235-T369 PolarHBondContact O-OG1 2.94Å; T236-T369 WeakPolarHBondContact CA-O 3.36Å; T236-T369 PolarHBondContact OG1-O 3.36Å; T237-T369 PolarHBondContact N-O 3.4Å; W348-T369 HydrophobicContact CZ2-CG2 3.82Å; W348-T369 PolarHBondContact NE1-OG1 3.34Å; F353-T369 HydrophobicContact CE1-CG2 4.09Å; F353-T369 HydrophobicContact CZ-CG2 4.14Å; T369-Y372 WeakPolarHBondContact CB-OH 3.5Å; T369-Y372 HydrophobicContact CG2-CE1 3.58Å; T369-Y372 WeakPolarHBondContact CG2-OH 3.48Å
370	I	98.1	Very high	96.1	Very high	1 Å²	1	10 Å²	10	1%	0.005	6%	0.056	C	C	.	.			trans	-149	146.7	-172.1	-173.3	172	0	0	0	110.7	T237 F274 H355 N362	T237-I370 HydrophobicContact CG2-CB 3.98Å; T237-I370 HydrophobicContact CG2-CD1 4.08Å; T237-I370 HydrophobicContact CG2-CG1 3.75Å; F274-I370 HydrophobicContact CD1-CD1 3.9Å; H355-I370 PolarHBondContact CE1-O 3.17Å; H355-I370 PolarHBondContact NE2-O 3.44Å; N362-I370 WeakPolarHBondContact O-CG2 3.39Å
371	D	94.5	Very high	95.9	Very high	40 Å²	40	10 Å²	10	21%	0.214	6%	0.056	C	C	.	.			trans	64.3	71.8	176.4	-159.1	29.3	0	0	0	114.2	K199 H355 N362 G373	K199-D371 IonicContact NZ-OD1 3.06Å; K199-D371 PolarHBondContact NZ-OD1 3.2Å; H355-D371 PolarHBondContact CE1-O 2.78Å; N362-D371 HydrophobicContact CB-CB 4.45Å; N362-D371 PolarHBondContact ND2-OD2 3.42Å; N362-D371 VanDerWaalsContact ND2-OD2 3.1Å; N362-D371 WeakPolarHBondContact OD1-CB 3.37Å; N362-D371 PolarHBondContact OD1-OD2 2.78Å; D371-G373 PolarHBondContact O-N 2.95Å; D371-G373 VanDerWaalsContact O-N 3.14Å
372	Y	94.8	Very high	95.5	Very high	7 Å²	7	10.6 Å²	10.6	3%	0.027	6%	0.06	C	C	.	.			trans	-74.3	96.9	176.9	-63.6	-79.1	0	0	0	111.3	E222 C225 S226 M229 T236 F353 T369 F375	E222-Y372 HydrophobicContact CG-CD2 4.07Å; C225-Y372 HydrophobicContact CB-CD1 3.62Å; C225-Y372 HydrophobicContact CB-CE1 3.85Å; C225-Y372 HydrophobicContact CB-CG 4.04Å; C225-Y372 WeakPolarHBondContact SG-CD1 3.46Å; C225-Y372 WeakPolarHBondContact SG-CE1 3.49Å; S226-Y372 WeakPolarHBondContact OG-CD2 3.12Å; S226-Y372 WeakPolarHBondContact OG-CE2 3.28Å; M229-Y372 HydrophobicContact CG-CE1 4.22Å; M229-Y372 WeakPolarHBondContact CG-OH 3.43Å; T236-Y372 WeakPolarHBondContact CB-OH 3.35Å; T236-Y372 PolarHBondContact OG1-OH 2.95Å; F353-Y372 HydrophobicContact CE2-CE1 4.37Å; F353-Y372 HydrophobicContact CZ-CD1 4.38Å; F353-Y372 HydrophobicContact CZ-CE1 4.07Å; T369-Y372 WeakPolarHBondContact CB-OH 3.5Å; T369-Y372 HydrophobicContact CG2-CE1 3.58Å; T369-Y372 WeakPolarHBondContact CG2-OH 3.48Å; Y372-F375 AromaticContact CD1-CD1 3.93Å; Y372-F375 HydrophobicContact CD1-CD1 3.93Å; Y372-F375 HydrophobicContact CD1-CE1 4.31Å; Y372-F375 HydrophobicContact CD1-CG 4.29Å; Y372-F375 HydrophobicContact CG-CD1 4.37Å
373	G	87.7	Confident	95.1	Very high	13 Å²	13	10.8 Å²	10.8	13%	0.134	6%	0.06	C	C	.	.	S	Bend	trans	-107.9	-105.9	168.2	0	0	0	0	0	111	D371 F375	D371-G373 PolarHBondContact O-N 2.95Å; D371-G373 VanDerWaalsContact O-N 3.14Å; G373-F375 VanDerWaalsContact O-CD1 3.25Å; G373-F375 WeakPolarHBondContact O-CD1 3.45Å; G373-F375 PolarHBondContact O-N 3.07Å
374	P	92.3	Very high	94.5	Very high	2 Å²	2	12.1 Å²	12.1	1%	0.013	7%	0.067	C	C	.	.	S	Bend	trans	-85.1	52.1	-177.8	37.7	-35.3	0	0	0	113	V357 S387 N388 V702	V357-P374 VanDerWaalsContact CG2-CD 3.49Å; V357-P374 HydrophobicContact CG2-CG 3.41Å; V357-P374 VanDerWaalsContact CG2-CG 3.41Å; P374-S387 CarbonylContact O-C 3.57Å; P374-S387 VanDerWaalsContact O-CB 3.29Å; P374-S387 WeakPolarHBondContact O-CB 3.35Å; P374-S387 PolarHBondContact O-OG 3.29Å; P374-N388 HydrophobicContact CB-CB 3.79Å; P374-N388 HydrophobicContact CG-CB 3.62Å; P374-V702 HydrophobicContact CB-CB 4.34Å; P374-V702 HydrophobicContact CB-CG1 4.06Å; P374-V702 WeakPolarHBondContact CB-O 3.04Å
375	F	95.4	Very high	94.2	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.076	C	C	.	.			trans	-76.6	162.4	172	72	-91.4	0	0	0	111.2	R221 C225 F353 C354 Y372 G373 L640	R221-F375 HydrophobicContact CB-CE1 4.05Å; R221-F375 HydrophobicContact CB-CZ 4.16Å; R221-F375 PolarHBondContact NH2-O 3.45Å; C225-F375 HydrophobicContact CB-CD1 4.38Å; C225-F375 HydrophobicContact CB-CD2 4.34Å; C225-F375 HydrophobicContact CB-CE1 3.71Å; C225-F375 HydrophobicContact CB-CE2 3.69Å; C225-F375 HydrophobicContact CB-CZ 3.34Å; C225-F375 VanDerWaalsContact SG-CD2 3.58Å; C225-F375 WeakPolarHBondContact SG-CE2 3.45Å; F353-F375 HydrophobicContact CE2-CB 3.7Å; F353-F375 AromaticContact CE2-CD2 3.88Å; F353-F375 HydrophobicContact CE2-CD2 3.88Å; F353-F375 HydrophobicContact CE2-CG 4.01Å; F353-F375 HydrophobicContact CZ-CB 3.87Å; F353-F375 HydrophobicContact CZ-CG 4.49Å; C354-F375 CarbonylContact O-C 3.56Å; C354-F375 WeakPolarHBondContact O-CA 3.23Å; C354-F375 WeakPolarHBondContact O-CB 3.44Å; Y372-F375 AromaticContact CD1-CD1 3.93Å; Y372-F375 HydrophobicContact CD1-CD1 3.93Å; Y372-F375 HydrophobicContact CD1-CE1 4.31Å; Y372-F375 HydrophobicContact CD1-CG 4.29Å; Y372-F375 HydrophobicContact CG-CD1 4.37Å; G373-F375 VanDerWaalsContact O-CD1 3.25Å; G373-F375 WeakPolarHBondContact O-CD1 3.45Å; G373-F375 PolarHBondContact O-N 3.07Å; F375-L640 HydrophobicContact CE2-CD2 3.88Å; F375-L640 HydrophobicContact CE2-CG 4.46Å; F375-L640 HydrophobicContact CZ-CD2 3.87Å
376	G	94.7	Very high	93.8	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	139.8	169.4	0	0	0	0	0	111.9	C354	C354-G376 PolarHBondContact N-O 3.49Å; C354-G376 PolarHBondContact O-N 3.21Å
377	F	95.5	Very high	93.4	Very high	4 Å²	4	16.9 Å²	16.9	2%	0.018	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	128.9	158.3	-73.7	-94.8	0	0	0	107.8	M229 L232 V351 G352 F353 D379 V639 L640	M229-F377 HydrophobicContact SD-CE1 4.42Å; M229-F377 HydrophobicContact SD-CZ 3.72Å; L232-F377 HydrophobicContact CD1-CE1 3.87Å; L232-F377 HydrophobicContact CD1-CZ 3.92Å; V351-F377 HydrophobicContact CB-CE1 4.42Å; V351-F377 HydrophobicContact CG2-CE1 3.95Å; G352-F377 WeakPolarHBondContact O-CA 3.25Å; F353-F377 HydrophobicContact CB-CD1 4.3Å; F353-F377 HydrophobicContact CB-CE1 4.06Å; F353-F377 HydrophobicContact CB-CZ 4.44Å; F353-F377 HydrophobicContact CD2-CD2 4.17Å; F353-F377 HydrophobicContact CD2-CE1 4.24Å; F353-F377 AromaticContact CD2-CE2 3.79Å; F353-F377 HydrophobicContact CD2-CE2 3.79Å; F353-F377 AromaticContact CD2-CZ 3.83Å; F353-F377 HydrophobicContact CD2-CZ 3.83Å; F353-F377 HydrophobicContact CE2-CE2 4.34Å; F377-D379 PolarHBondContact O-N 2.97Å; F377-V639 HydrophobicContact CB-CB 4.27Å; F377-V639 HydrophobicContact CB-CG2 3.98Å; F377-V639 HydrophobicContact CD1-CB 3.78Å; F377-V639 HydrophobicContact CD1-CG1 4.11Å; F377-V639 HydrophobicContact CD1-CG2 4.31Å; F377-V639 HydrophobicContact CE1-CB 4.25Å; F377-V639 HydrophobicContact CE1-CG1 4.38Å; F377-V639 HydrophobicContact CG-CB 3.98Å; F377-V639 HydrophobicContact CG-CG2 4.26Å; F377-L640 HydrophobicContact CD2-CB 4.07Å; F377-L640 WeakPolarHBondContact CD2-O 3.38Å; F377-L640 HydrophobicContact CE2-CB 4.02Å
378	M	92.5	Very high	92.9	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	9%	0.089	C	C	.	.			trans	-61.3	128.8	179.4	-81.3	-175.6	-67.9	0	0	110.7	G352 F381 H385 Y398 F496	G352-M378 PolarHBondContact O-N 3.33Å; M378-F381 HydrophobicContact CE-CD2 3.95Å; M378-F381 HydrophobicContact CE-CE2 4.22Å; M378-F381 HydrophobicContact SD-CD2 4.01Å; M378-H385 HydrophobicContact CG-CB 3.94Å; M378-H385 HydrophobicContact SD-CB 3.59Å; M378-H385 VanDerWaalsContact SD-CB 3.59Å; M378-Y398 HydrophobicContact CE-CD1 3.63Å; M378-Y398 HydrophobicContact CE-CD2 3.3Å; M378-Y398 HydrophobicContact CE-CE1 3.64Å; M378-Y398 HydrophobicContact CE-CE2 3.29Å; M378-Y398 HydrophobicContact CE-CG 3.45Å; M378-Y398 VanDerWaalsContact CE-CG 3.45Å; M378-Y398 VanDerWaalsContact CE-CZ 3.46Å; M378-Y398 HydrophobicContact SD-CD1 4.15Å; M378-Y398 HydrophobicContact SD-CD2 4.26Å; M378-Y398 HydrophobicContact SD-CG 3.94Å; M378-F496 HydrophobicContact CB-CB 4.24Å; M378-F496 HydrophobicContact CE-CD2 3.85Å; M378-F496 HydrophobicContact CE-CE2 3.92Å
379	D	92.5	Very high	92.1	Very high	33 Å²	33	18.7 Å²	18.7	18%	0.176	10%	0.102	C	C	.	.	S	Bend	trans	-80.6	-85.3	164.9	-69.1	-39.5	0	0	0	108.6	F377 D495 F496 R641 P693	F377-D379 PolarHBondContact O-N 2.97Å; D379-D495 CarbonylContact O-C 3.58Å; D379-D495 VanDerWaalsContact O-CA 3.25Å; D379-D495 WeakPolarHBondContact O-CA 3.5Å; D379-F496 PolarHBondContact O-N 3.45Å; D379-R641 VanDerWaalsContact OD1-CD 3.29Å; D379-R641 WeakPolarHBondContact OD1-CD 3.25Å; D379-R641 WeakPolarHBondContact OD1-CG 3.24Å; D379-R641 IonicContact OD1-CZ 3.16Å; D379-R641 IonicContact OD1-NE 3.58Å; D379-R641 IonicContact OD1-NH1 3.01Å; D379-R641 PolarHBondContact OD1-NH1 2.81Å; D379-P693 HydrophobicContact CB-CB 4.37Å; D379-P693 HydrophobicContact CB-CG 3.98Å
380	Q	93.8	Very high	91	Very high	41 Å²	41	20.3 Å²	20.3	19%	0.192	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-74.6	132.3	170.1	178.7	-178.3	-11.3	0	0	110.4	T382 T537	Q380-T382 PolarHBondContact O-N 3.15Å; Q380-T537 PolarHBondContact NE2-OG1 3.27Å; Q380-T537 VanDerWaalsContact NE2-OG1 3.1Å; Q380-T537 PolarHBondContact OE1-OG1 2.7Å
381	F	93.6	Very high	90.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.114	C	C	.	.			trans	-74.4	128.7	177.1	178.9	-101.5	0	0	0	112.4	M378 W383 Y398 F486 M489 E490 A494 F496	M378-F381 HydrophobicContact CE-CD2 3.95Å; M378-F381 HydrophobicContact CE-CE2 4.22Å; M378-F381 HydrophobicContact SD-CD2 4.01Å; F381-W383 HydrophobicContact CE1-CD2 4.19Å; F381-W383 HydrophobicContact CE1-CG 4.29Å; F381-W383 HydrophobicContact CE2-CE3 4.48Å; F381-W383 AromaticContact CZ-CD2 3.6Å; F381-W383 HydrophobicContact CZ-CD2 3.6Å; F381-W383 AromaticContact CZ-CE2 3.69Å; F381-W383 AromaticContact CZ-CE3 3.83Å; F381-W383 HydrophobicContact CZ-CE3 3.83Å; F381-W383 HydrophobicContact CZ-CG 4.05Å; F381-W383 HydrophobicContact CZ-CH2 4.19Å; F381-W383 HydrophobicContact CZ-CZ2 4.02Å; F381-W383 HydrophobicContact CZ-CZ3 4.11Å; F381-Y398 HydrophobicContact CE2-CD1 4.38Å; F381-Y398 AromaticContact CE2-CE1 3.91Å; F381-Y398 HydrophobicContact CE2-CE1 3.91Å; F381-F486 HydrophobicContact CD1-CD1 4.25Å; F381-F486 WeakPolarHBondContact CD1-O 3.19Å; F381-F486 AromaticContact CD2-CD1 3.95Å; F381-F486 HydrophobicContact CD2-CD1 3.95Å; F381-F486 HydrophobicContact CD2-CE1 4.34Å; F381-F486 HydrophobicContact CE1-CB 3.67Å; F381-F486 AromaticContact CE1-CD1 3.85Å; F381-F486 HydrophobicContact CE1-CD1 3.85Å; F381-F486 HydrophobicContact CE1-CG 4.2Å; F381-F486 WeakPolarHBondContact CE1-O 3.29Å; F381-F486 AromaticContact CE2-CD1 3.46Å; F381-F486 HydrophobicContact CE2-CD1 3.46Å; F381-F486 VanDerWaalsContact CE2-CD1 3.46Å; F381-F486 AromaticContact CE2-CE1 3.99Å; F381-F486 HydrophobicContact CE2-CE1 3.99Å; F381-F486 HydrophobicContact CE2-CG 4.25Å; F381-F486 HydrophobicContact CG-CD1 4.29Å; F381-F486 HydrophobicContact CZ-CB 3.64Å; F381-F486 AromaticContact CZ-CD1 3.4Å; F381-F486 HydrophobicContact CZ-CD1 3.4Å; F381-F486 VanDerWaalsContact CZ-CD1 3.4Å; F381-F486 HydrophobicContact CZ-CE1 4.35Å; F381-F486 AromaticContact CZ-CG 3.79Å; F381-F486 HydrophobicContact CZ-CG 3.79Å; F381-M489 HydrophobicContact CB-CB 4.01Å; F381-M489 HydrophobicContact CB-CE 3.91Å; F381-M489 HydrophobicContact CD1-CB 3.71Å; F381-M489 HydrophobicContact CG-CB 4.11Å; F381-M489 HydrophobicContact CG-CE 4.27Å; F381-E490 HydrophobicContact CD1-CB 3.92Å; F381-E490 HydrophobicContact CE1-CB 3.99Å; F381-A494 PolarHBondContact N-O 3.42Å; F381-F496 HydrophobicContact CB-CD2 4.41Å; F381-F496 AromaticContact CD2-CD2 3.67Å; F381-F496 HydrophobicContact CD2-CD2 3.67Å; F381-F496 HydrophobicContact CD2-CE2 4.05Å; F381-F496 HydrophobicContact CE2-CD2 4.42Å; F381-F496 HydrophobicContact CE2-CE2 4.37Å; F381-F496 HydrophobicContact CG-CD2 4.41Å
382	T	90.5	Very high	89.1	Confident	22 Å²	22	19.6 Å²	19.6	14%	0.135	11%	0.111	C	C	.	.			trans	-143.7	137.4	165.6	56.5	0	0	0	0	108.3	Q380 D384 H385 T537	Q380-T382 PolarHBondContact O-N 3.15Å; T382-D384 VanDerWaalsContact C-N 3.33Å; T382-D384 PolarHBondContact O-N 3.27Å; T382-H385 WeakPolarHBondContact O-CB 3.2Å; T382-H385 PolarHBondContact O-N 3.32Å; T382-H385 WeakPolarHBondContact OG1-CA 3.33Å; T382-H385 WeakPolarHBondContact OG1-CB 3.21Å; T382-H385 PolarHBondContact OG1-N 3.41Å; T382-T537 HydrophobicContact CG2-CG2 3.55Å
383	W	89	Confident	88.1	Confident	9 Å²	9	19.5 Å²	19.5	3%	0.034	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-46.8	-179.5	-82.7	117.8	0	0	0	112.4	L18 F381 H385 Y398 A399 F486 N487 E490 I569	L18-W383 HydrophobicContact CD1-CD2 4.38Å; L18-W383 HydrophobicContact CD1-CH2 4.29Å; L18-W383 HydrophobicContact CD1-CZ2 3.64Å; L18-W383 HydrophobicContact CD2-CE3 4.27Å; L18-W383 HydrophobicContact CD2-CH2 3.26Å; L18-W383 HydrophobicContact CD2-CZ2 3.52Å; L18-W383 HydrophobicContact CD2-CZ3 3.67Å; L18-W383 HydrophobicContact CG-CH2 4.39Å; L18-W383 HydrophobicContact CG-CZ2 4.23Å; F381-W383 HydrophobicContact CE1-CD2 4.19Å; F381-W383 HydrophobicContact CE1-CG 4.29Å; F381-W383 HydrophobicContact CE2-CE3 4.48Å; F381-W383 AromaticContact CZ-CD2 3.6Å; F381-W383 HydrophobicContact CZ-CD2 3.6Å; F381-W383 AromaticContact CZ-CE2 3.69Å; F381-W383 AromaticContact CZ-CE3 3.83Å; F381-W383 HydrophobicContact CZ-CE3 3.83Å; F381-W383 HydrophobicContact CZ-CG 4.05Å; F381-W383 HydrophobicContact CZ-CH2 4.19Å; F381-W383 HydrophobicContact CZ-CZ2 4.02Å; F381-W383 HydrophobicContact CZ-CZ3 4.11Å; W383-H385 PolarHBondContact O-N 3.18Å; W383-Y398 HydrophobicContact CE3-CD1 4.49Å; W383-Y398 HydrophobicContact CE3-CE1 4.31Å; W383-Y398 HydrophobicContact CZ3-CE1 4.22Å; W383-A399 HydrophobicContact CE3-CB 4.41Å; W383-A399 WeakPolarHBondContact O-CB 3.37Å; W383-A399 PolarHBondContact O-N 3.39Å; W383-A399 VanDerWaalsContact O-N 3.11Å; W383-F486 HydrophobicContact CH2-CB 3.86Å; W383-F486 HydrophobicContact CH2-CD2 4.07Å; W383-F486 HydrophobicContact CH2-CG 4Å; W383-F486 HydrophobicContact CZ2-CB 3.33Å; W383-F486 HydrophobicContact CZ2-CD2 4.35Å; W383-F486 HydrophobicContact CZ2-CG 4.01Å; W383-N487 PolarHBondContact NE1-OD1 3.36Å; W383-E490 PolarHBondContact N-OE1 3.5Å; W383-I569 HydrophobicContact CB-CB 3.89Å; W383-I569 HydrophobicContact CB-CD1 3.94Å; W383-I569 HydrophobicContact CB-CG1 4.34Å; W383-I569 HydrophobicContact CB-CG2 3.96Å; W383-I569 HydrophobicContact CD2-CD1 3.82Å; W383-I569 HydrophobicContact CE3-CD1 3.78Å; W383-I569 HydrophobicContact CG-CB 4.31Å; W383-I569 HydrophobicContact CG-CD1 3.91Å; W383-I569 HydrophobicContact CG-CG2 3.87Å
384	D	88	Confident	87.9	Confident	33 Å²	33	19.1 Å²	19.1	18%	0.176	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	33.5	-179.6	-61.6	-52.6	0	0	0	112.2	T382 I386 I569 L570	T382-D384 VanDerWaalsContact C-N 3.33Å; T382-D384 PolarHBondContact O-N 3.27Å; D384-I386 PolarHBondContact O-N 3.43Å; D384-I569 PolarHBondContact OD1-N 3.18Å; D384-I569 VanDerWaalsContact OD1-N 3.08Å; D384-I569 PolarHBondContact OD2-N 3.06Å; D384-L570 PolarHBondContact OD2-N 2.91Å
385	H	90.7	Very high	87.7	Confident	44 Å²	44	20.3 Å²	20.3	20%	0.204	11%	0.112	C	C	.	.			trans	-58.5	129.4	174.3	-178.5	79.7	0	0	0	110.9	M378 T382 W383 S397 Y398	M378-H385 HydrophobicContact CG-CB 3.94Å; M378-H385 HydrophobicContact SD-CB 3.59Å; M378-H385 VanDerWaalsContact SD-CB 3.59Å; T382-H385 WeakPolarHBondContact O-CB 3.2Å; T382-H385 PolarHBondContact O-N 3.32Å; T382-H385 WeakPolarHBondContact OG1-CA 3.33Å; T382-H385 WeakPolarHBondContact OG1-CB 3.21Å; T382-H385 PolarHBondContact OG1-N 3.41Å; W383-H385 PolarHBondContact O-N 3.18Å; H385-S397 CarbonylContact O-C 3.46Å; H385-S397 WeakPolarHBondContact O-CA 3.33Å; H385-S397 WeakPolarHBondContact O-CB 3.47Å; H385-Y398 PolarHBondContact O-N 3.11Å
386	I	90.1	Very high	87.5	Confident	64 Å²	64	20.4 Å²	20.4	33%	0.328	11%	0.112	S	C	.	.			trans	-116.9	113.8	177.6	-58.4	170.3	0	0	0	108.1	D384 N388 D391 G394	D384-I386 PolarHBondContact O-N 3.43Å; I386-N388 VanDerWaalsContact CG2-O 3.23Å; I386-N388 WeakPolarHBondContact CG2-O 3.37Å; I386-D391 HydrophobicContact CG2-CB 4.25Å; I386-D391 WeakPolarHBondContact CG2-O 3.49Å; I386-G394 VanDerWaalsContact CD1-CA 3.44Å
387	S	91.4	Very high	87.4	Confident	9 Å²	9	20.6 Å²	20.6	6%	0.063	11%	0.113	C	C	.	.			trans	-80.8	-29.2	176	65.5	0	0	0	0	112.8	C354 G356 P374	C354-S387 PolarHBondContact O-OG 2.97Å; C354-S387 PolarHBondContact SG-OG 2.99Å; G356-S387 WeakPolarHBondContact CA-OG 2.98Å; P374-S387 CarbonylContact O-C 3.57Å; P374-S387 VanDerWaalsContact O-CB 3.29Å; P374-S387 WeakPolarHBondContact O-CB 3.35Å; P374-S387 PolarHBondContact O-OG 3.29Å
388	N	87.8	Confident	87.3	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-94.3	112.9	-176	-177	3.3	0	0	0	111.8	G356 P374 I386 S390 D391	G356-N388 WeakPolarHBondContact O-CB 3.16Å; G356-N388 PolarHBondContact O-ND2 3.31Å; P374-N388 HydrophobicContact CB-CB 3.79Å; P374-N388 HydrophobicContact CG-CB 3.62Å; I386-N388 VanDerWaalsContact CG2-O 3.23Å; I386-N388 WeakPolarHBondContact CG2-O 3.37Å; N388-S390 PolarHBondContact O-N 2.82Å; N388-S390 VanDerWaalsContact O-N 3.1Å; N388-S390 WeakPolarHBondContact OD1-CA 3.49Å; N388-S390 VanDerWaalsContact OD1-CB 3.28Å; N388-S390 WeakPolarHBondContact OD1-CB 3.32Å; N388-S390 PolarHBondContact OD1-N 2.89Å; N388-S390 PolarHBondContact OD1-OG 3.35Å; N388-D391 HydrophobicContact CB-CB 4.04Å; N388-D391 PolarHBondContact O-N 2.82Å
389	T	81.2	Confident	87.4	Confident	69 Å²	69	21 Å²	21	42%	0.423	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-11.8	178.7	59.5	0	0	0	0	114	D391 R701 V702	T389-D391 VanDerWaalsContact C-N 3.35Å; T389-R701 HydrophobicContact CG2-CB 3.69Å; T389-R701 HydrophobicContact CG2-CG 3.86Å; T389-V702 PolarHBondContact N-O 2.8Å; T389-V702 PolarHBondContact OG1-O 3.48Å
390	S	77.3	Confident	87.4	Confident	34 Å²	34	19.9 Å²	19.9	24%	0.238	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	1.3	174.1	-32.9	0	0	0	0	112.6	N388 P392	N388-S390 PolarHBondContact O-N 2.82Å; N388-S390 VanDerWaalsContact O-N 3.1Å; N388-S390 WeakPolarHBondContact OD1-CA 3.49Å; N388-S390 VanDerWaalsContact OD1-CB 3.28Å; N388-S390 WeakPolarHBondContact OD1-CB 3.32Å; N388-S390 PolarHBondContact OD1-N 2.89Å; N388-S390 PolarHBondContact OD1-OG 3.35Å; S390-P392 WeakPolarHBondContact O-CD 3.47Å
391	D	81.7	Confident	87.4	Confident	2 Å²	2	17.9 Å²	17.9	1%	0.011	10%	0.102	C	C	.	.			trans	-110.1	66.1	174.2	-176.8	22.4	0	0	0	110.4	F168 I386 N388 T389 D393 G394 R395 Y396	F168-D391 HydrophobicContact CE1-CB 3.78Å; F168-D391 HydrophobicContact CZ-CB 4.42Å; I386-D391 HydrophobicContact CG2-CB 4.25Å; I386-D391 WeakPolarHBondContact CG2-O 3.49Å; N388-D391 HydrophobicContact CB-CB 4.04Å; N388-D391 PolarHBondContact O-N 2.82Å; T389-D391 VanDerWaalsContact C-N 3.35Å; D391-D393 PolarHBondContact O-N 3.33Å; D391-G394 PolarHBondContact O-N 2.88Å; D391-G394 VanDerWaalsContact O-N 3.11Å; D391-G394 PolarHBondContact OD1-N 2.88Å; D391-G394 WeakPolarHBondContact OD2-CA 3.46Å; D391-R395 PolarHBondContact OD1-N 2.86Å; D391-R395 PolarHBondContact OD2-N 3.47Å; D391-Y396 WeakPolarHBondContact OD2-CA 3.18Å; D391-Y396 PolarHBondContact OD2-N 2.94Å
392	P	71.5	Confident	87.5	Confident	24 Å²	24	18.4 Å²	18.4	16%	0.156	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-40.4	-176.2	22.9	-33.8	0	0	0	111.4	S390 G394 H546 S550	S390-P392 WeakPolarHBondContact O-CD 3.47Å; P392-G394 PolarHBondContact O-N 3.29Å; P392-H546 VanDerWaalsContact CA-CE1 3.49Å; P392-H546 WeakPolarHBondContact CA-CE1 3.46Å; P392-H546 WeakPolarHBondContact CB-CE1 3.35Å; P392-H546 WeakPolarHBondContact CB-NE2 3.46Å; P392-H546 PolarHBondContact O-CE1 3.36Å; P392-H546 PolarHBondContact O-NE2 3.43Å; P392-S550 WeakPolarHBondContact CB-OG 3.36Å; P392-S550 WeakPolarHBondContact CG-OG 3.44Å
393	D	73.6	Confident	87.6	Confident	6 Å²	6	18.7 Å²	18.7	3%	0.032	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-8.9	-175.1	-57.7	-38.6	0	0	0	113.8	D391 H546 S550 L564	D391-D393 PolarHBondContact O-N 3.33Å; D393-H546 IonicContact OD1-CD2 2.71Å; D393-H546 IonicContact OD1-NE2 3.52Å; D393-S550 WeakPolarHBondContact OD1-CB 3.28Å; D393-S550 PolarHBondContact OD1-OG 3.27Å; D393-S550 VanDerWaalsContact OD2-CB 3.26Å; D393-S550 WeakPolarHBondContact OD2-CB 3.3Å; D393-S550 PolarHBondContact OD2-OG 3.04Å; D393-L564 HydrophobicContact CB-CB 4.3Å; D393-L564 HydrophobicContact CB-CD1 3.55Å
394	G	83.7	Confident	87.8	Confident	5 Å²	5	18.9 Å²	18.9	5%	0.052	11%	0.107	C	C	.	.			trans	70.8	33.9	178.5	0	0	0	0	0	113.5	I386 D391 P392 Y396 S397	I386-G394 VanDerWaalsContact CD1-CA 3.44Å; D391-G394 PolarHBondContact O-N 2.88Å; D391-G394 VanDerWaalsContact O-N 3.11Å; D391-G394 PolarHBondContact OD1-N 2.88Å; D391-G394 WeakPolarHBondContact OD2-CA 3.46Å; P392-G394 PolarHBondContact O-N 3.29Å; G394-Y396 PolarHBondContact O-N 2.98Å; G394-S397 VanDerWaalsContact O-CB 3.32Å; G394-S397 WeakPolarHBondContact O-CB 3.5Å; G394-S397 PolarHBondContact O-N 3.28Å; G394-S397 VanDerWaalsContact O-N 3.08Å; G394-S397 PolarHBondContact O-OG 3.3Å
395	R	86.9	Confident	88.3	Confident	27 Å²	27	17.4 Å²	17.4	10%	0.102	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-38.6	174.8	179.8	-178.4	176.6	76.2	5	111.2	F168 D391 Q400 I404 L564	F168-R395 VanDerWaalsContact C-NE 3.27Å; D391-R395 PolarHBondContact OD1-N 2.86Å; D391-R395 PolarHBondContact OD2-N 3.47Å; R395-Q400 VanDerWaalsContact O-CB 3.28Å; R395-Q400 WeakPolarHBondContact O-CB 3.38Å; R395-I404 HydrophobicContact CG-CD1 3.88Å; R395-I404 VanDerWaalsContact O-CG1 3.29Å; R395-I404 WeakPolarHBondContact O-CG1 3.45Å; R395-L564 HydrophobicContact CB-CD2 4.33Å
396	Y	91.7	Very high	88.5	Confident	2 Å²	2	16 Å²	16	1%	0.008	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	24	-179.6	-56.5	-46.7	0	0	0	112.3	F168 C354 G356 L358 N359 D391 G394 I404	F168-Y396 VanDerWaalsContact CA-OH 3.3Å; F168-Y396 WeakPolarHBondContact CA-OH 3.39Å; F168-Y396 HydrophobicContact CD1-CD2 4.13Å; F168-Y396 AromaticContact CD1-CE2 3.59Å; F168-Y396 HydrophobicContact CD1-CE2 3.59Å; F168-Y396 HydrophobicContact CD2-CE2 4.18Å; F168-Y396 AromaticContact CE1-CD2 3.68Å; F168-Y396 HydrophobicContact CE1-CD2 3.68Å; F168-Y396 AromaticContact CE1-CE2 3.5Å; F168-Y396 HydrophobicContact CE1-CE2 3.5Å; F168-Y396 HydrophobicContact CE2-CE2 4.1Å; F168-Y396 AromaticContact CG-CE2 3.94Å; F168-Y396 HydrophobicContact CG-CE2 3.94Å; F168-Y396 HydrophobicContact CZ-CD2 4.05Å; F168-Y396 AromaticContact CZ-CE2 3.77Å; F168-Y396 HydrophobicContact CZ-CE2 3.77Å; F168-Y396 PolarHBondContact N-OH 3.46Å; F168-Y396 VanDerWaalsContact N-OH 3.13Å; C354-Y396 PolarHBondContact SG-O 3.08Å; C354-Y396 VanDerWaalsContact SG-O 3.37Å; G356-Y396 VanDerWaalsContact O-CD2 3.32Å; G356-Y396 WeakPolarHBondContact O-CD2 3.05Å; L358-Y396 HydrophobicContact CB-CD1 3.68Å; L358-Y396 HydrophobicContact CB-CE1 3.79Å; L358-Y396 HydrophobicContact CB-CG 4.42Å; L358-Y396 HydrophobicContact CG-CD1 4.44Å; L358-Y396 WeakPolarHBondContact O-CE1 3.46Å; N359-Y396 PolarHBondContact OD1-OH 3Å; D391-Y396 WeakPolarHBondContact OD2-CA 3.18Å; D391-Y396 PolarHBondContact OD2-N 2.94Å; G394-Y396 PolarHBondContact O-N 2.98Å; Y396-I404 HydrophobicContact CD1-CG1 4.21Å; Y396-I404 HydrophobicContact CD1-CG2 3.88Å; Y396-I404 HydrophobicContact CE1-CD1 4.45Å; Y396-I404 HydrophobicContact CE1-CG1 4.46Å; Y396-I404 HydrophobicContact CE1-CG2 3.66Å
397	S	92.4	Very high	88.8	Confident	3 Å²	3	14.8 Å²	14.8	2%	0.021	9%	0.087	C	C	.	.			trans	-57.2	158.2	173.7	79.3	0	0	0	0	111.2	H385 G394 A399 Q400 Q401	H385-S397 CarbonylContact O-C 3.46Å; H385-S397 WeakPolarHBondContact O-CA 3.33Å; H385-S397 WeakPolarHBondContact O-CB 3.47Å; G394-S397 VanDerWaalsContact O-CB 3.32Å; G394-S397 WeakPolarHBondContact O-CB 3.5Å; G394-S397 PolarHBondContact O-N 3.28Å; G394-S397 VanDerWaalsContact O-N 3.08Å; G394-S397 PolarHBondContact O-OG 3.3Å; S397-A399 VanDerWaalsContact C-N 3.27Å; S397-A399 PolarHBondContact O-N 3.06Å; S397-Q400 PolarHBondContact O-N 3.01Å; S397-Q400 WeakPolarHBondContact OG-CG 3.44Å; S397-Q401 WeakPolarHBondContact O-CG 3.18Å; S397-Q401 PolarHBondContact O-N 2.97Å
398	Y	94.4	Very high	89.1	Confident	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-50.2	-46.7	-178.7	172.5	-99.5	0	0	0	112.6	Q349 M378 F381 W383 H385 Q400 Q401	Q349-Y398 WeakPolarHBondContact CA-OH 3.45Å; Q349-Y398 PolarHBondContact NE2-O 3.43Å; Q349-Y398 PolarHBondContact O-OH 3.47Å; Q349-Y398 VanDerWaalsContact OE1-CE1 3.28Å; Q349-Y398 PolarHBondContact OE1-OH 3.48Å; M378-Y398 HydrophobicContact CE-CD1 3.63Å; M378-Y398 HydrophobicContact CE-CD2 3.3Å; M378-Y398 HydrophobicContact CE-CE1 3.64Å; M378-Y398 HydrophobicContact CE-CE2 3.29Å; M378-Y398 HydrophobicContact CE-CG 3.45Å; M378-Y398 VanDerWaalsContact CE-CG 3.45Å; M378-Y398 VanDerWaalsContact CE-CZ 3.46Å; M378-Y398 HydrophobicContact SD-CD1 4.15Å; M378-Y398 HydrophobicContact SD-CD2 4.26Å; M378-Y398 HydrophobicContact SD-CG 3.94Å; F381-Y398 HydrophobicContact CE2-CD1 4.38Å; F381-Y398 AromaticContact CE2-CE1 3.91Å; F381-Y398 HydrophobicContact CE2-CE1 3.91Å; W383-Y398 HydrophobicContact CE3-CD1 4.49Å; W383-Y398 HydrophobicContact CE3-CE1 4.31Å; W383-Y398 HydrophobicContact CZ3-CE1 4.22Å; H385-Y398 PolarHBondContact O-N 3.11Å; Y398-Q400 VanDerWaalsContact C-N 3.34Å; Y398-Q400 PolarHBondContact O-N 3.47Å; Y398-Q401 WeakPolarHBondContact O-CG 3.45Å; Y398-Q401 PolarHBondContact O-N 3.48Å
399	A	93	Very high	89.6	Confident	13 Å²	13	14.4 Å²	14.4	11%	0.107	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-64.5	-30.5	176.6	0	0	0	0	0	114.4	W383 S397 P402 I569	W383-A399 HydrophobicContact CE3-CB 4.41Å; W383-A399 WeakPolarHBondContact O-CB 3.37Å; W383-A399 PolarHBondContact O-N 3.39Å; W383-A399 VanDerWaalsContact O-N 3.11Å; S397-A399 VanDerWaalsContact C-N 3.27Å; S397-A399 PolarHBondContact O-N 3.06Å; A399-P402 WeakPolarHBondContact O-CD 3.34Å; A399-I569 HydrophobicContact CB-CD1 3.43Å; A399-I569 VanDerWaalsContact CB-CD1 3.43Å; A399-I569 HydrophobicContact CB-CG1 3.86Å
400	Q	92.1	Very high	90.3	Very high	10 Å²	10	11.3 Å²	11.3	5%	0.047	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-81.1	-18.7	-177.1	-67.7	-51.1	-39.8	0	0	114	R395 S397 Y398 P402 N403 I404 T567	R395-Q400 VanDerWaalsContact O-CB 3.28Å; R395-Q400 WeakPolarHBondContact O-CB 3.38Å; S397-Q400 PolarHBondContact O-N 3.01Å; S397-Q400 WeakPolarHBondContact OG-CG 3.44Å; Y398-Q400 VanDerWaalsContact C-N 3.34Å; Y398-Q400 PolarHBondContact O-N 3.47Å; Q400-P402 VanDerWaalsContact C-CD 3.46Å; Q400-P402 VanDerWaalsContact C-N 3.34Å; Q400-P402 VanDerWaalsContact O-N 3.16Å; Q400-N403 PolarHBondContact O-N 2.81Å; Q400-I404 HydrophobicContact CB-CG1 4.11Å; Q400-I404 WeakPolarHBondContact O-CG1 3.15Å; Q400-I404 PolarHBondContact O-N 2.8Å; Q400-T567 PolarHBondContact NE2-O 2.89Å
401	Q	95.8	Very high	91.2	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-50.9	-43.9	-173.7	-54.6	-175.1	111.9	0	0	113.8	V345 F353 L358 S397 Y398 N403 I404 C405	V345-Q401 HydrophobicContact CG2-CB 3.73Å; F353-Q401 PolarHBondContact O-NE2 2.95Å; L358-Q401 HydrophobicContact CD1-CB 3.8Å; L358-Q401 HydrophobicContact CD1-CG 3.83Å; S397-Q401 WeakPolarHBondContact O-CG 3.18Å; S397-Q401 PolarHBondContact O-N 2.97Å; Y398-Q401 WeakPolarHBondContact O-CG 3.45Å; Y398-Q401 PolarHBondContact O-N 3.48Å; Q401-N403 PolarHBondContact O-N 3.48Å; Q401-I404 PolarHBondContact O-N 2.99Å; Q401-C405 VanDerWaalsContact O-CB 3.31Å; Q401-C405 WeakPolarHBondContact O-CB 3.38Å; Q401-C405 PolarHBondContact O-N 3.42Å; Q401-C405 PolarHBondContact O-SG 3.29Å
402	P	95.8	Very high	92	Very high	11 Å²	11	10.6 Å²	10.6	7%	0.071	6%	0.057	C	C	.	.	H	α-helix	trans	-62	-41.9	177.4	-22.9	35.3	0	0	0	113	V345 Q349 A399 Q400 A406 Y452 F456	V345-P402 HydrophobicContact CG2-CB 4.47Å; V345-P402 HydrophobicContact CG2-CG 4.12Å; Q349-P402 HydrophobicContact CG-CG 4.3Å; A399-P402 WeakPolarHBondContact O-CD 3.34Å; Q400-P402 VanDerWaalsContact C-CD 3.46Å; Q400-P402 VanDerWaalsContact C-N 3.34Å; Q400-P402 VanDerWaalsContact O-N 3.16Å; P402-A406 PolarHBondContact O-N 2.72Å; P402-A406 VanDerWaalsContact O-N 3.12Å; P402-Y452 VanDerWaalsContact O-CE1 3.3Å; P402-Y452 WeakPolarHBondContact O-CE1 3.09Å; P402-Y452 PolarHBondContact O-OH 2.98Å; P402-F456 HydrophobicContact CB-CD2 4.44Å; P402-F456 HydrophobicContact CB-CE2 4.02Å; P402-F456 HydrophobicContact CB-CZ 4.07Å; P402-F456 HydrophobicContact CG-CE1 4.45Å; P402-F456 HydrophobicContact CG-CE2 3.79Å; P402-F456 HydrophobicContact CG-CZ 3.67Å
403	N	91.2	Very high	93.2	Very high	28 Å²	28	9.4 Å²	9.4	15%	0.15	5%	0.05	C	C	.	.	H	α-helix	trans	-70.8	-42.3	-179.6	-69.2	-25.8	0	0	0	111.7	Q400 Q401 C405 A406 W407	Q400-N403 PolarHBondContact O-N 2.81Å; Q401-N403 PolarHBondContact O-N 3.48Å; N403-C405 VanDerWaalsContact C-N 3.34Å; N403-A406 WeakPolarHBondContact O-CB 3.45Å; N403-A406 PolarHBondContact O-N 2.7Å; N403-W407 WeakPolarHBondContact O-CB 3.49Å; N403-W407 PolarHBondContact O-N 2.98Å
404	I	94	Very high	94.2	Very high	13 Å²	13	11 Å²	11	7%	0.067	6%	0.057	C	C	.	.	H	α-helix	trans	-64.3	-41.3	177.4	-67.5	-63.6	0	0	0	111.1	L358 R395 Y396 Q400 Q401 A406 W407 N408	L358-I404 HydrophobicContact CB-CG2 3.59Å; L358-I404 HydrophobicContact CD1-CG2 4.23Å; R395-I404 HydrophobicContact CG-CD1 3.88Å; R395-I404 VanDerWaalsContact O-CG1 3.29Å; R395-I404 WeakPolarHBondContact O-CG1 3.45Å; Y396-I404 HydrophobicContact CD1-CG1 4.21Å; Y396-I404 HydrophobicContact CD1-CG2 3.88Å; Y396-I404 HydrophobicContact CE1-CD1 4.45Å; Y396-I404 HydrophobicContact CE1-CG1 4.46Å; Y396-I404 HydrophobicContact CE1-CG2 3.66Å; Q400-I404 HydrophobicContact CB-CG1 4.11Å; Q400-I404 WeakPolarHBondContact O-CG1 3.15Å; Q400-I404 PolarHBondContact O-N 2.8Å; Q401-I404 PolarHBondContact O-N 2.99Å; I404-A406 VanDerWaalsContact C-N 3.33Å; I404-A406 PolarHBondContact O-N 3.34Å; I404-W407 WeakPolarHBondContact O-CB 3.3Å; I404-W407 PolarHBondContact O-N 2.68Å; I404-N408 WeakPolarHBondContact O-CB 3.18Å; I404-N408 VanDerWaalsContact O-CG 3.3Å; I404-N408 PolarHBondContact O-N 2.68Å
405	C	97.5	Very high	94.9	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.007	6%	0.061	C	C	.	.	H	α-helix	trans	-64	-38.3	175.8	-72.9	0	0	0	0	111.6	T341 M363 Q401 N403 N408 C409 Y452	T341-C405 HydrophobicContact CG2-CB 3.83Å; M363-C405 HydrophobicContact CE-CB 4.19Å; Q401-C405 VanDerWaalsContact O-CB 3.31Å; Q401-C405 WeakPolarHBondContact O-CB 3.38Å; Q401-C405 PolarHBondContact O-N 3.42Å; Q401-C405 PolarHBondContact O-SG 3.29Å; N403-C405 VanDerWaalsContact C-N 3.34Å; C405-N408 PolarHBondContact O-N 3.45Å; C405-C409 PolarHBondContact O-N 3.41Å; C405-C409 PolarHBondContact O-SG 3.29Å; C405-C409 VanDerWaalsContact O-SG 3.37Å; C405-Y452 WeakPolarHBondContact CB-OH 3.49Å
406	A	96.1	Very high	95.4	Very high	16 Å²	16	10.3 Å²	10.3	13%	0.132	6%	0.056	C	C	.	.	H	α-helix	trans	-62.5	-43.9	172.5	0	0	0	0	0	112	P402 N403 I404 N408 C409 A410 Y452	P402-A406 PolarHBondContact O-N 2.72Å; P402-A406 VanDerWaalsContact O-N 3.12Å; N403-A406 WeakPolarHBondContact O-CB 3.45Å; N403-A406 PolarHBondContact O-N 2.7Å; I404-A406 VanDerWaalsContact C-N 3.33Å; I404-A406 PolarHBondContact O-N 3.34Å; A406-N408 VanDerWaalsContact C-N 3.33Å; A406-N408 PolarHBondContact O-N 3.21Å; A406-C409 WeakPolarHBondContact O-CB 3.4Å; A406-C409 PolarHBondContact O-N 2.9Å; A406-A410 PolarHBondContact O-N 3.27Å; A406-Y452 HydrophobicContact CB-CD1 3.75Å; A406-Y452 HydrophobicContact CB-CE1 3.53Å; A406-Y452 HydrophobicContact CB-CE2 4.35Å; A406-Y452 HydrophobicContact CB-CG 4.27Å; A406-Y452 PolarHBondContact N-OH 3.31Å
407	W	95.2	Very high	95.6	Very high	38 Å²	38	10.7 Å²	10.7	14%	0.144	6%	0.058	C	C	.	.	H	α-helix	trans	-61.2	-42	175.9	-175	98.4	0	0	0	111.4	L27 Y166 T360 N403 I404 C409 A410 R411	L27-W407 HydrophobicContact CD2-CB 3.97Å; L27-W407 HydrophobicContact CD2-CG 4.43Å; Y166-W407 AromaticContact CD1-CH2 3.64Å; Y166-W407 HydrophobicContact CD1-CH2 3.64Å; Y166-W407 HydrophobicContact CD1-CZ2 4.47Å; Y166-W407 HydrophobicContact CD2-CH2 4.4Å; Y166-W407 HydrophobicContact CE1-CH2 4.24Å; Y166-W407 AromaticContact CG-CH2 3.69Å; Y166-W407 HydrophobicContact CG-CH2 3.69Å; Y166-W407 HydrophobicContact CG-CZ3 4.14Å; T360-W407 HydrophobicContact CG2-CZ3 4.15Å; N403-W407 WeakPolarHBondContact O-CB 3.49Å; N403-W407 PolarHBondContact O-N 2.98Å; I404-W407 WeakPolarHBondContact O-CB 3.3Å; I404-W407 PolarHBondContact O-N 2.68Å; W407-C409 PolarHBondContact O-N 2.68Å; W407-A410 WeakPolarHBondContact O-CB 3.46Å; W407-A410 PolarHBondContact O-N 3.03Å; W407-A410 VanDerWaalsContact O-N 3.12Å; W407-R411 HydrophobicContact CD2-CG 4.33Å; W407-R411 HydrophobicContact CE3-CG 3.82Å; W407-R411 HydrophobicContact CH2-CG 3.76Å; W407-R411 HydrophobicContact CZ2-CG 4.31Å; W407-R411 HydrophobicContact CZ3-CG 3.5Å; W407-R411 VanDerWaalsContact CZ3-CG 3.5Å; W407-R411 PolarHBondContact O-N 2.9Å; W407-R411 VanDerWaalsContact O-N 3.1Å
408	N	97.6	Very high	95.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-64	-39.2	175.5	-73.1	-17.4	0	0	0	111.6	F277 L358 T360 M363 I404 C405 A406 A410 R411 L412	F277-N408 HydrophobicContact CD2-CB 4.01Å; F277-N408 WeakPolarHBondContact CD2-O 3.43Å; F277-N408 HydrophobicContact CE2-CB 4.09Å; L358-N408 PolarHBondContact O-ND2 2.95Å; T360-N408 HydrophobicContact CG2-CB 4.09Å; T360-N408 VanDerWaalsContact CG2-OD1 3.27Å; T360-N408 WeakPolarHBondContact CG2-OD1 3.26Å; M363-N408 HydrophobicContact CG-CB 3.86Å; M363-N408 VanDerWaalsContact CG-ND2 3.25Å; M363-N408 WeakPolarHBondContact CG-ND2 3.39Å; M363-N408 PolarHBondContact SD-ND2 3.45Å; M363-N408 VanDerWaalsContact SD-ND2 3.4Å; I404-N408 WeakPolarHBondContact O-CB 3.18Å; I404-N408 VanDerWaalsContact O-CG 3.3Å; I404-N408 PolarHBondContact O-N 2.68Å; C405-N408 PolarHBondContact O-N 3.45Å; A406-N408 VanDerWaalsContact C-N 3.33Å; A406-N408 PolarHBondContact O-N 3.21Å; N408-A410 VanDerWaalsContact C-N 3.3Å; N408-A410 PolarHBondContact O-N 2.87Å; N408-R411 WeakPolarHBondContact O-CB 3.31Å; N408-R411 PolarHBondContact O-N 3.13Å; N408-L412 PolarHBondContact O-N 2.79Å; N408-L412 VanDerWaalsContact O-N 3.1Å
409	C	98.4	Very high	95.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-62.4	-36.4	172.1	-67.9	0	0	0	0	112.1	F334 V338 C405 A406 W407 L412 A413 L448	F334-C409 HydrophobicContact CE2-CB 4.37Å; F334-C409 VanDerWaalsContact CE2-O 3.26Å; F334-C409 WeakPolarHBondContact CE2-O 3.4Å; F334-C409 HydrophobicContact CZ-CB 4.43Å; V338-C409 HydrophobicContact CG2-CB 4.16Å; C405-C409 PolarHBondContact O-N 3.41Å; C405-C409 PolarHBondContact O-SG 3.29Å; C405-C409 VanDerWaalsContact O-SG 3.37Å; A406-C409 WeakPolarHBondContact O-CB 3.4Å; A406-C409 PolarHBondContact O-N 2.9Å; W407-C409 PolarHBondContact O-N 2.68Å; C409-L412 PolarHBondContact O-N 2.81Å; C409-A413 PolarHBondContact O-N 2.66Å; C409-L448 HydrophobicContact CB-CD2 3.67Å
410	A	96.7	Very high	95.8	Very high	4 Å²	4	13.2 Å²	13.2	3%	0.033	7%	0.067	C	C	.	.	H	α-helix	trans	-63.8	-39	174.7	0	0	0	0	0	112.4	C31 F32 A406 W407 N408 L412 A413 E414 L448	C31-A410 HydrophobicContact CB-CB 4.04Å; F32-A410 HydrophobicContact CE2-CB 4.43Å; F32-A410 HydrophobicContact CZ-CB 4.26Å; A406-A410 PolarHBondContact O-N 3.27Å; W407-A410 WeakPolarHBondContact O-CB 3.46Å; W407-A410 PolarHBondContact O-N 3.03Å; W407-A410 VanDerWaalsContact O-N 3.12Å; N408-A410 VanDerWaalsContact C-N 3.3Å; N408-A410 PolarHBondContact O-N 2.87Å; A410-L412 VanDerWaalsContact C-N 3.35Å; A410-L412 PolarHBondContact O-N 2.89Å; A410-A413 WeakPolarHBondContact O-CB 3.32Å; A410-A413 PolarHBondContact O-N 3.42Å; A410-E414 PolarHBondContact O-N 3.05Å; A410-E414 VanDerWaalsContact O-N 3.1Å; A410-L448 HydrophobicContact CB-CD1 3.83Å
411	R	95.3	Very high	95.8	Very high	21 Å²	21	13.1 Å²	13.1	8%	0.079	7%	0.067	C	C	.	.	H	α-helix	trans	-62	-40	172.9	-65.3	-63.3	93.6	107.3	-17.1	112.7	C31 Y166 T360 W407 N408 E414 C415	C31-R411 PolarHBondContact O-NH2 3.22Å; C31-R411 PolarHBondContact SG-NH2 3.17Å; C31-R411 VanDerWaalsContact SG-NH2 3.41Å; Y166-R411 HydrophobicContact CD2-CB 4.45Å; Y166-R411 HydrophobicContact CD2-CG 4.03Å; Y166-R411 HydrophobicContact CE2-CB 4.4Å; Y166-R411 VanDerWaalsContact CE2-CD 3.4Å; Y166-R411 HydrophobicContact CE2-CG 4.02Å; T360-R411 HydrophobicContact CG2-CB 4.01Å; T360-R411 HydrophobicContact CG2-CG 4.16Å; W407-R411 HydrophobicContact CD2-CG 4.33Å; W407-R411 HydrophobicContact CE3-CG 3.82Å; W407-R411 HydrophobicContact CH2-CG 3.76Å; W407-R411 HydrophobicContact CZ2-CG 4.31Å; W407-R411 HydrophobicContact CZ3-CG 3.5Å; W407-R411 VanDerWaalsContact CZ3-CG 3.5Å; W407-R411 PolarHBondContact O-N 2.9Å; W407-R411 VanDerWaalsContact O-N 3.1Å; N408-R411 WeakPolarHBondContact O-CB 3.31Å; N408-R411 PolarHBondContact O-N 3.13Å; R411-E414 IonicContact CZ-OE1 2.7Å; R411-E414 IonicContact NE-OE1 2.66Å; R411-E414 PolarHBondContact NE-OE1 3.04Å; R411-E414 IonicContact NE-OE2 2.68Å; R411-E414 PolarHBondContact NE-OE2 3.01Å; R411-E414 IonicContact NH2-OE1 2.68Å; R411-E414 PolarHBondContact NH2-OE1 2.84Å; R411-E414 IonicContact NH2-OE2 2.98Å; R411-E414 PolarHBondContact O-N 3.23Å; R411-C415 PolarHBondContact O-N 3.17Å; R411-C415 PolarHBondContact O-SG 2.82Å; R411-C415 VanDerWaalsContact O-SG 3.37Å
412	L	98.3	Very high	95.5	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-63.3	-43.3	172.4	178.4	63.8	0	0	0	111.4	F277 F280 F334 V337 I365 N408 C409 A410 E414 C415 L416	F277-L412 HydrophobicContact CB-CB 4.47Å; F277-L412 HydrophobicContact CD1-CD2 3.89Å; F277-L412 HydrophobicContact CD2-CB 4.14Å; F277-L412 HydrophobicContact CE1-CD2 3.89Å; F277-L412 HydrophobicContact CG-CB 4.18Å; F277-L412 HydrophobicContact CG-CD2 4.26Å; F277-L412 HydrophobicContact CZ-CD2 4.25Å; F280-L412 HydrophobicContact CB-CD1 4.1Å; F280-L412 HydrophobicContact CD1-CD1 4.43Å; F280-L412 HydrophobicContact CD2-CD1 3.68Å; F280-L412 HydrophobicContact CE2-CD1 4.22Å; F280-L412 HydrophobicContact CG-CD1 3.81Å; F334-L412 HydrophobicContact CD2-CD2 4.41Å; V337-L412 HydrophobicContact CG1-CD2 3.8Å; I365-L412 HydrophobicContact CD1-CD1 4.18Å; I365-L412 HydrophobicContact CD1-CD2 3.65Å; N408-L412 PolarHBondContact O-N 2.79Å; N408-L412 VanDerWaalsContact O-N 3.1Å; C409-L412 PolarHBondContact O-N 2.81Å; A410-L412 VanDerWaalsContact C-N 3.35Å; A410-L412 PolarHBondContact O-N 2.89Å; L412-E414 VanDerWaalsContact C-N 3.29Å; L412-E414 PolarHBondContact O-N 2.8Å; L412-C415 WeakPolarHBondContact O-CB 3.4Å; L412-C415 PolarHBondContact O-N 3.12Å; L412-C415 VanDerWaalsContact O-N 3.08Å; L412-L416 HydrophobicContact CD1-CG 4.43Å; L412-L416 HydrophobicContact CG-CD1 4.2Å; L412-L416 HydrophobicContact CG-CG 4.44Å; L412-L416 WeakPolarHBondContact O-CG 3.45Å; L412-L416 PolarHBondContact O-N 2.81Å; L412-L416 VanDerWaalsContact O-N 3.11Å
413	A	97.9	Very high	95.2	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-56.7	-42.3	178.5	0	0	0	0	0	112.2	F32 F334 C409 A410 C415 L416 I417 F444	F32-A413 HydrophobicContact CE1-CB 4.22Å; F32-A413 HydrophobicContact CZ-CB 4.22Å; F334-A413 HydrophobicContact CE1-CB 4.18Å; F334-A413 HydrophobicContact CE2-CB 3.82Å; F334-A413 HydrophobicContact CZ-CB 3.62Å; C409-A413 PolarHBondContact O-N 2.66Å; A410-A413 WeakPolarHBondContact O-CB 3.32Å; A410-A413 PolarHBondContact O-N 3.42Å; A413-C415 VanDerWaalsContact C-N 3.3Å; A413-C415 PolarHBondContact O-N 3.18Å; A413-L416 PolarHBondContact O-N 3.19Å; A413-I417 WeakPolarHBondContact O-CB 3.5Å; A413-I417 WeakPolarHBondContact O-CD1 3.14Å; A413-I417 WeakPolarHBondContact O-CG1 3.32Å; A413-I417 PolarHBondContact O-N 2.85Å; A413-F444 HydrophobicContact CB-CB 4.26Å; A413-F444 HydrophobicContact CB-CD1 3.9Å; A413-F444 HydrophobicContact CB-CG 4.46Å
414	E	95.1	Very high	94.9	Very high	38 Å²	38	17.2 Å²	17.2	18%	0.178	9%	0.085	C	C	.	.	H	α-helix	trans	-56.4	-43.7	175.1	-74.5	162.8	-146.3	0	0	112.5	C31 F32 A410 R411 L412 Q418	C31-E414 VanDerWaalsContact O-OE1 3.05Å; F32-E414 HydrophobicContact CD1-CG 4.39Å; F32-E414 HydrophobicContact CE1-CG 4.34Å; A410-E414 PolarHBondContact O-N 3.05Å; A410-E414 VanDerWaalsContact O-N 3.1Å; R411-E414 IonicContact CZ-OE1 2.7Å; R411-E414 IonicContact NE-OE1 2.66Å; R411-E414 PolarHBondContact NE-OE1 3.04Å; R411-E414 IonicContact NE-OE2 2.68Å; R411-E414 PolarHBondContact NE-OE2 3.01Å; R411-E414 IonicContact NH2-OE1 2.68Å; R411-E414 PolarHBondContact NH2-OE1 2.84Å; R411-E414 IonicContact NH2-OE2 2.98Å; R411-E414 PolarHBondContact O-N 3.23Å; L412-E414 VanDerWaalsContact C-N 3.29Å; L412-E414 PolarHBondContact O-N 2.8Å; E414-Q418 WeakPolarHBondContact O-CB 3.42Å; E414-Q418 PolarHBondContact O-N 3.08Å
415	C	96.8	Very high	94.3	Very high	19 Å²	19	20.6 Å²	20.6	13%	0.128	10%	0.099	C	C	.	.	H	α-helix	trans	-64.1	-42.3	179	-58.6	0	0	0	0	111.3	F280 R411 L412 A413 Q418 A419	F280-C415 HydrophobicContact CB-CB 3.83Å; R411-C415 PolarHBondContact O-N 3.17Å; R411-C415 PolarHBondContact O-SG 2.82Å; R411-C415 VanDerWaalsContact O-SG 3.37Å; L412-C415 WeakPolarHBondContact O-CB 3.4Å; L412-C415 PolarHBondContact O-N 3.12Å; L412-C415 VanDerWaalsContact O-N 3.08Å; A413-C415 VanDerWaalsContact C-N 3.3Å; A413-C415 PolarHBondContact O-N 3.18Å; C415-Q418 PolarHBondContact O-N 2.97Å; C415-A419 PolarHBondContact O-N 3.34Å
416	L	97.8	Very high	93.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-68.5	-43.9	178.9	-62	178.1	0	0	0	112.4	T307 Y330 F333 F334 L412 A413 Q418 A419 L420 F444	T307-L416 HydrophobicContact CG2-CD2 3.72Å; Y330-L416 HydrophobicContact CD2-CD2 4.37Å; F333-L416 HydrophobicContact CD1-CD1 4.2Å; F333-L416 HydrophobicContact CE1-CD1 4.12Å; F333-L416 HydrophobicContact CE1-CD2 4.21Å; F334-L416 HydrophobicContact CB-CD1 3.97Å; F334-L416 HydrophobicContact CD2-CD1 3.94Å; F334-L416 HydrophobicContact CG-CD1 4.27Å; L412-L416 HydrophobicContact CD1-CG 4.43Å; L412-L416 HydrophobicContact CG-CD1 4.2Å; L412-L416 HydrophobicContact CG-CG 4.44Å; L412-L416 WeakPolarHBondContact O-CG 3.45Å; L412-L416 PolarHBondContact O-N 2.81Å; L412-L416 VanDerWaalsContact O-N 3.11Å; A413-L416 PolarHBondContact O-N 3.19Å; L416-Q418 VanDerWaalsContact C-N 3.26Å; L416-Q418 PolarHBondContact O-N 2.88Å; L416-A419 PolarHBondContact O-N 2.87Å; L416-L420 WeakPolarHBondContact O-CG 3.3Å; L416-L420 PolarHBondContact O-N 3Å; L416-F444 HydrophobicContact CB-CE1 3.81Å; L416-F444 HydrophobicContact CB-CZ 4.07Å; L416-F444 HydrophobicContact CD1-CE1 3.9Å
417	I	96.2	Very high	92.1	Very high	9 Å²	9	30.1 Å²	30.1	5%	0.046	15%	0.147	C	C	.	.	H	α-helix	trans	-56.6	-45.8	174.4	-70.9	162.4	0	0	0	109.4	F32 A413 A419 L420 I421 L440 F444	F32-I417 HydrophobicContact CD1-CD1 4.42Å; F32-I417 HydrophobicContact CE1-CD1 3.99Å; A413-I417 WeakPolarHBondContact O-CB 3.5Å; A413-I417 WeakPolarHBondContact O-CD1 3.14Å; A413-I417 WeakPolarHBondContact O-CG1 3.32Å; A413-I417 PolarHBondContact O-N 2.85Å; I417-A419 PolarHBondContact O-N 3.07Å; I417-L420 PolarHBondContact O-N 2.72Å; I417-I421 HydrophobicContact CG2-CD1 3.7Å; I417-I421 HydrophobicContact CG2-CG1 4.42Å; I417-I421 VanDerWaalsContact O-CG1 3.3Å; I417-I421 WeakPolarHBondContact O-CG1 3.1Å; I417-I421 PolarHBondContact O-N 3.14Å; I417-L440 HydrophobicContact CB-CD2 4.48Å; I417-L440 HydrophobicContact CG1-CG 4.36Å; I417-L440 HydrophobicContact CG2-CD2 4Å; I417-L440 HydrophobicContact CG2-CG 4.32Å; I417-F444 HydrophobicContact CD1-CB 3.95Å; I417-F444 HydrophobicContact CD1-CD2 4.3Å; I417-F444 HydrophobicContact CD1-CG 4.09Å; I417-F444 HydrophobicContact CG1-CB 4.28Å; I417-F444 HydrophobicContact CG1-CD1 4.39Å; I417-F444 HydrophobicContact CG1-CD2 3.7Å; I417-F444 HydrophobicContact CG1-CE2 4.11Å; I417-F444 HydrophobicContact CG1-CG 3.86Å
418	Q	93.9	Very high	90.8	Very high	66 Å²	66	30.2 Å²	30.2	31%	0.308	15%	0.154	S	C	.	.	H	α-helix	trans	-70.1	-34.9	-176.6	-161.3	58.2	9.5	0	0	112.9	L300 E414 C415 L416 I421 D422	L300-Q418 HydrophobicContact CD1-CG 3.72Å; L300-Q418 HydrophobicContact CD2-CB 4.24Å; L300-Q418 HydrophobicContact CD2-CG 3.75Å; L300-Q418 HydrophobicContact CG-CG 4.41Å; E414-Q418 WeakPolarHBondContact O-CB 3.42Å; E414-Q418 PolarHBondContact O-N 3.08Å; C415-Q418 PolarHBondContact O-N 2.97Å; L416-Q418 VanDerWaalsContact C-N 3.26Å; L416-Q418 PolarHBondContact O-N 2.88Å; Q418-I421 PolarHBondContact O-N 2.66Å; Q418-D422 PolarHBondContact O-N 3.48Å
419	A	94.7	Very high	89.1	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.8	-41.7	170.8	0	0	0	0	0	112.3	V303 Y330 C415 L416 I417 D422 Q423	V303-A419 HydrophobicContact CB-CB 4.29Å; V303-A419 HydrophobicContact CG1-CB 4.01Å; Y330-A419 HydrophobicContact CE2-CB 4.31Å; C415-A419 PolarHBondContact O-N 3.34Å; L416-A419 PolarHBondContact O-N 2.87Å; I417-A419 PolarHBondContact O-N 3.07Å; A419-D422 WeakPolarHBondContact O-CB 3.28Å; A419-D422 PolarHBondContact O-N 3.37Å; A419-Q423 WeakPolarHBondContact O-CG 3.46Å; A419-Q423 PolarHBondContact O-N 3.15Å
420	L	94.7	Very high	87.3	Confident	3 Å²	3	46.1 Å²	46.1	2%	0.016	23%	0.231	C	C	.	.	H	α-helix	trans	-67.6	-39.8	176.9	-71.6	171.7	0	0	0	112.6	I326 M327 Y330 L416 I417 D422 Q423 Q424 L440 F444	I326-L420 HydrophobicContact CG2-CD2 4.15Å; M327-L420 HydrophobicContact CG-CD1 4.46Å; M327-L420 HydrophobicContact CG-CD2 4Å; Y330-L420 HydrophobicContact CD2-CD1 4.01Å; Y330-L420 HydrophobicContact CD2-CD2 3.57Å; Y330-L420 HydrophobicContact CD2-CG 3.58Å; Y330-L420 HydrophobicContact CE2-CD2 3.95Å; Y330-L420 HydrophobicContact CE2-CG 4.14Å; Y330-L420 HydrophobicContact CG-CD1 4.41Å; Y330-L420 HydrophobicContact CG-CD2 4.01Å; Y330-L420 HydrophobicContact CG-CG 4.31Å; L416-L420 WeakPolarHBondContact O-CG 3.3Å; L416-L420 PolarHBondContact O-N 3Å; I417-L420 PolarHBondContact O-N 2.72Å; L420-D422 VanDerWaalsContact C-N 3.29Å; L420-D422 PolarHBondContact O-N 2.86Å; L420-Q423 PolarHBondContact O-N 3.21Å; L420-Q424 WeakPolarHBondContact O-CB 3.43Å; L420-Q424 PolarHBondContact O-N 2.93Å; L420-L440 HydrophobicContact CB-CD2 3.79Å; L420-L440 HydrophobicContact CD1-CD1 3.89Å; L420-L440 HydrophobicContact CD1-CD2 4.13Å; L420-F444 HydrophobicContact CD1-CE2 3.89Å; L420-F444 HydrophobicContact CD1-CZ 3.99Å
421	I	92.5	Very high	85.9	Confident	9 Å²	9	52.6 Å²	52.6	5%	0.046	27%	0.271	C	S	.	.	H	α-helix	trans	-58.9	-44.2	172.8	-72	168.2	0	0	0	109.7	I417 Q418 Q424 K425 I432 F436 V437 L440	I417-I421 HydrophobicContact CG2-CD1 3.7Å; I417-I421 HydrophobicContact CG2-CG1 4.42Å; I417-I421 VanDerWaalsContact O-CG1 3.3Å; I417-I421 WeakPolarHBondContact O-CG1 3.1Å; I417-I421 PolarHBondContact O-N 3.14Å; Q418-I421 PolarHBondContact O-N 2.66Å; I421-Q424 PolarHBondContact O-N 3.15Å; I421-K425 WeakPolarHBondContact O-CG 3.14Å; I421-K425 PolarHBondContact O-N 3.44Å; I421-I432 HydrophobicContact CB-CD1 4.31Å; I421-I432 HydrophobicContact CG2-CD1 3.58Å; I421-I432 WeakPolarHBondContact O-CD1 3.25Å; I421-F436 HydrophobicContact CG1-CE1 4.28Å; I421-V437 HydrophobicContact CD1-CB 4.4Å; I421-V437 HydrophobicContact CD1-CG1 3.95Å; I421-V437 HydrophobicContact CD1-CG2 3.85Å; I421-V437 HydrophobicContact CG1-CG2 4.26Å; I421-L440 HydrophobicContact CG1-CD2 4.19Å
422	D	90.8	Very high	84.9	Confident	17 Å²	17	53.7 Å²	53.7	9%	0.091	28%	0.277	C	S	.	.	H	α-helix	trans	-59.5	-51.4	176.3	-166.3	58.7	0	0	0	111.9	L300 Q418 A419 L420 Q424 K425 Y426	L300-D422 HydrophobicContact CB-CB 3.65Å; L300-D422 HydrophobicContact CD1-CB 3.83Å; L300-D422 HydrophobicContact CG-CB 4.4Å; Q418-D422 PolarHBondContact O-N 3.48Å; A419-D422 WeakPolarHBondContact O-CB 3.28Å; A419-D422 PolarHBondContact O-N 3.37Å; L420-D422 VanDerWaalsContact C-N 3.29Å; L420-D422 PolarHBondContact O-N 2.86Å; D422-Q424 VanDerWaalsContact C-N 3.28Å; D422-Q424 PolarHBondContact O-N 2.99Å; D422-K425 WeakPolarHBondContact O-CB 3.47Å; D422-K425 PolarHBondContact O-N 2.9Å; D422-K425 VanDerWaalsContact O-N 3.13Å; D422-Y426 WeakPolarHBondContact O-CD2 3.46Å; D422-Y426 PolarHBondContact O-N 3.48Å
423	Q	87.6	Confident	84	Confident	42 Å²	42	58 Å²	58	20%	0.196	30%	0.301	C	S	.	.	H	α-helix	trans	-58.7	-36.8	178.6	-70.8	-177.4	-0.5	0	0	113.4	S304 I326 Y330 A419 L420 Y426 S427	S304-Q423 PolarHBondContact OG-NE2 2.98Å; I326-Q423 VanDerWaalsContact CG2-OE1 3.32Å; Y330-Q423 PolarHBondContact OH-NE2 3.21Å; A419-Q423 WeakPolarHBondContact O-CG 3.46Å; A419-Q423 PolarHBondContact O-N 3.15Å; L420-Q423 PolarHBondContact O-N 3.21Å; Q423-Y426 PolarHBondContact O-N 2.93Å; Q423-S427 PolarHBondContact O-N 2.94Å; Q423-S427 PolarHBondContact O-OG 3.11Å
424	Q	85.2	Confident	83.4	Confident	65 Å²	65	65.8 Å²	65.8	30%	0.304	33%	0.334	S	S	.	.	H	α-helix	trans	-68.7	-35.3	178.7	-173.8	62.5	25.6	0	0	112.3	L420 I421 D422 Y426 S427 S428 I432 F436	L420-Q424 WeakPolarHBondContact O-CB 3.43Å; L420-Q424 PolarHBondContact O-N 2.93Å; I421-Q424 PolarHBondContact O-N 3.15Å; D422-Q424 VanDerWaalsContact C-N 3.28Å; D422-Q424 PolarHBondContact O-N 2.99Å; Q424-Y426 VanDerWaalsContact C-N 3.31Å; Q424-Y426 PolarHBondContact O-N 2.66Å; Q424-S427 PolarHBondContact O-N 3.2Å; Q424-S428 PolarHBondContact O-N 3.42Å; Q424-S428 PolarHBondContact O-OG 3Å; Q424-I432 HydrophobicContact CB-CD1 4.11Å; Q424-I432 HydrophobicContact CG-CD1 4.38Å; Q424-F436 HydrophobicContact CB-CE1 4.07Å; Q424-F436 HydrophobicContact CB-CZ 4.03Å; Q424-F436 HydrophobicContact CG-CE1 4.02Å; Q424-F436 HydrophobicContact CG-CE2 4.28Å; Q424-F436 HydrophobicContact CG-CZ 3.85Å
425	K	81.9	Confident	83.1	Confident	85 Å²	85	70.2 Å²	70.2	37%	0.37	36%	0.355	S	S	.	.	H	α-helix	trans	-58.2	-45.9	174.5	-68.7	175.1	-176.3	164.3	0	110.7	I421 D422 S427 I432	I421-K425 WeakPolarHBondContact O-CG 3.14Å; I421-K425 PolarHBondContact O-N 3.44Å; D422-K425 WeakPolarHBondContact O-CB 3.47Å; D422-K425 PolarHBondContact O-N 2.9Å; D422-K425 VanDerWaalsContact O-N 3.13Å; K425-S427 VanDerWaalsContact C-N 3.3Å; K425-S427 PolarHBondContact O-N 2.73Å; K425-I432 HydrophobicContact CB-CD1 4.4Å; K425-I432 HydrophobicContact CD-CD1 4.25Å; K425-I432 HydrophobicContact CG-CD1 3.33Å; K425-I432 HydrophobicContact CG-CG1 3.8Å
426	Y	73	Confident	82.7	Confident	117 Å²	117	71.3 Å²	71.3	46%	0.459	36%	0.358	S	S	.	.	H	α-helix	trans	-66.4	-30.4	-179.8	-74.9	-75.5	0	0	0	113.4	D422 Q423 Q424	D422-Y426 WeakPolarHBondContact O-CD2 3.46Å; D422-Y426 PolarHBondContact O-N 3.48Å; Q423-Y426 PolarHBondContact O-N 2.93Å; Q424-Y426 VanDerWaalsContact C-N 3.31Å; Q424-Y426 PolarHBondContact O-N 2.66Å
427	S	75	Confident	82.4	Confident	99 Å²	99	73.3 Å²	73.3	69%	0.692	37%	0.37	S	S	*	.	H	α-helix	trans	-85.7	-26.5	-173.4	-56.8	0	0	0	0	114.2	Q423 Q424 K425	Q423-S427 PolarHBondContact O-N 2.94Å; Q423-S427 PolarHBondContact O-OG 3.11Å; Q424-S427 PolarHBondContact O-N 3.2Å; K425-S427 VanDerWaalsContact C-N 3.3Å; K425-S427 PolarHBondContact O-N 2.73Å
428	S	67.4	Low	82.2	Confident	41 Å²	41	77.2 Å²	77.2	29%	0.287	39%	0.391	S	S	.	.	H	α-helix	trans	-114.9	-5.5	-165	57.3	0	0	0	0	116.1	Q424 K430	Q424-S428 PolarHBondContact O-N 3.42Å; Q424-S428 PolarHBondContact O-OG 3Å; S428-K430 WeakPolarHBondContact O-CG 3.44Å; S428-K430 PolarHBondContact O-N 2.83Å
429	D	62	Low	82.1	Confident	170 Å²	170	77.4 Å²	77.4	91%	0.909	39%	0.394	S	S	*	.			trans	47.5	16.2	-177.4	-134.8	10.5	0	0	0	114.5
430	K	60	Low	82	Confident	164 Å²	164	77.6 Å²	77.6	71%	0.713	40%	0.395	S	S	*	.	S	Bend	trans	-114.6	146	-176	-78.7	179.2	-178.9	-178.3	0	109.1	S428 I432	S428-K430 WeakPolarHBondContact O-CG 3.44Å; S428-K430 PolarHBondContact O-N 2.83Å; K430-I432 PolarHBondContact O-N 2.83Å
431	T	68.6	Low	82	Confident	140 Å²	140	78.8 Å²	78.8	86%	0.859	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-53.3	121.4	165	22.2	0	0	0	0	108.9	D433	T431-D433 PolarHBondContact O-N 3.5Å; T431-D433 VanDerWaalsContact O-N 3.08Å
432	I	74.3	Confident	82.1	Confident	43 Å²	43	84.8 Å²	84.8	22%	0.221	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-59.1	117.1	171.4	-73.1	-171.9	0	0	0	108	I421 Q424 K425 K430 F436 V437	I421-I432 HydrophobicContact CB-CD1 4.31Å; I421-I432 HydrophobicContact CG2-CD1 3.58Å; I421-I432 WeakPolarHBondContact O-CD1 3.25Å; Q424-I432 HydrophobicContact CB-CD1 4.11Å; Q424-I432 HydrophobicContact CG-CD1 4.38Å; K425-I432 HydrophobicContact CB-CD1 4.4Å; K425-I432 HydrophobicContact CD-CD1 4.25Å; K425-I432 HydrophobicContact CG-CD1 3.33Å; K425-I432 HydrophobicContact CG-CG1 3.8Å; K430-I432 PolarHBondContact O-N 2.83Å; I432-F436 HydrophobicContact CG2-CD1 4Å; I432-V437 HydrophobicContact CG2-CG2 3.57Å
433	D	78.5	Confident	82.4	Confident	92 Å²	92	88.2 Å²	88.2	49%	0.492	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-72.6	154.9	174.8	73.7	40.4	0	0	0	110.3	T431 E435 F436	T431-D433 PolarHBondContact O-N 3.5Å; T431-D433 VanDerWaalsContact O-N 3.08Å; D433-E435 PolarHBondContact O-N 3.42Å; D433-E435 VanDerWaalsContact OD1-CA 3.32Å; D433-E435 WeakPolarHBondContact OD1-CA 3.49Å; D433-E435 VanDerWaalsContact OD1-CB 3.28Å; D433-E435 WeakPolarHBondContact OD1-CB 3.29Å; D433-E435 PolarHBondContact OD1-N 2.74Å; D433-F436 PolarHBondContact O-N 3.37Å; D433-F436 PolarHBondContact OD1-N 2.82Å
434	K	86.1	Confident	82.8	Confident	162 Å²	162	86.3 Å²	86.3	70%	0.704	43%	0.433	S	S	*	.	H	α-helix	trans	-64.7	-22.5	178.1	-70.3	-179.7	178.7	177.4	0	112.1	N438	K434-N438 WeakPolarHBondContact O-CB 3.33Å; K434-N438 PolarHBondContact O-N 3.37Å; K434-N438 PolarHBondContact O-ND2 2.84Å; K434-N438 VanDerWaalsContact O-ND2 3.14Å
435	E	88.7	Confident	83.2	Confident	131 Å²	131	84.1 Å²	84.1	61%	0.612	42%	0.424	S	S	*	.	H	α-helix	trans	-71.8	-41.6	-177.6	-172.9	177.3	171	0	0	111.3	D433 N438 N439	D433-E435 PolarHBondContact O-N 3.42Å; D433-E435 VanDerWaalsContact OD1-CA 3.32Å; D433-E435 WeakPolarHBondContact OD1-CA 3.49Å; D433-E435 VanDerWaalsContact OD1-CB 3.28Å; D433-E435 WeakPolarHBondContact OD1-CB 3.29Å; D433-E435 PolarHBondContact OD1-N 2.74Å; E435-N438 PolarHBondContact O-N 2.98Å; E435-N439 VanDerWaalsContact O-CB 3.29Å; E435-N439 WeakPolarHBondContact O-CB 3.43Å; E435-N439 PolarHBondContact O-N 3.03Å; E435-N439 PolarHBondContact O-ND2 3.44Å
436	F	88.5	Confident	83.8	Confident	42 Å²	42	84.3 Å²	84.3	18%	0.184	43%	0.43	C	S	.	.	H	α-helix	trans	-57.7	-50.6	173.4	176	-98.1	0	0	0	111	M327 I421 Q424 I432 D433 N438 N439 L440	M327-F436 HydrophobicContact CE-CE2 4.16Å; M327-F436 HydrophobicContact SD-CE2 3.79Å; M327-F436 HydrophobicContact SD-CZ 3.9Å; I421-F436 HydrophobicContact CG1-CE1 4.28Å; Q424-F436 HydrophobicContact CB-CE1 4.07Å; Q424-F436 HydrophobicContact CB-CZ 4.03Å; Q424-F436 HydrophobicContact CG-CE1 4.02Å; Q424-F436 HydrophobicContact CG-CE2 4.28Å; Q424-F436 HydrophobicContact CG-CZ 3.85Å; I432-F436 HydrophobicContact CG2-CD1 4Å; D433-F436 PolarHBondContact O-N 3.37Å; D433-F436 PolarHBondContact OD1-N 2.82Å; F436-N438 PolarHBondContact O-N 2.97Å; F436-N439 PolarHBondContact O-N 3.27Å; F436-L440 HydrophobicContact CE1-CD2 4.18Å; F436-L440 HydrophobicContact CZ-CD2 4.37Å; F436-L440 WeakPolarHBondContact O-CB 3.4Å; F436-L440 PolarHBondContact O-N 3.35Å
437	V	90.6	Very high	84.9	Confident	42 Å²	42	79.2 Å²	79.2	26%	0.255	41%	0.411	S	S	.	.	H	α-helix	trans	-59.4	-48.3	177.9	178.2	0	0	0	0	110.3	I421 I432 N439 L440 T441	I421-V437 HydrophobicContact CD1-CB 4.4Å; I421-V437 HydrophobicContact CD1-CG1 3.95Å; I421-V437 HydrophobicContact CD1-CG2 3.85Å; I421-V437 HydrophobicContact CG1-CG2 4.26Å; I432-V437 HydrophobicContact CG2-CG2 3.57Å; V437-N439 VanDerWaalsContact C-N 3.35Å; V437-N439 PolarHBondContact O-N 3.04Å; V437-L440 PolarHBondContact O-N 2.58Å; V437-T441 WeakPolarHBondContact O-CB 3.33Å; V437-T441 PolarHBondContact O-N 3.4Å; V437-T441 PolarHBondContact O-OG1 3.31Å; V437-T441 VanDerWaalsContact O-OG1 3.05Å
438	N	91.3	Very high	85.7	Confident	91 Å²	91	75.3 Å²	75.3	49%	0.487	38%	0.382	S	S	.	.	H	α-helix	trans	-61.5	-41.8	178.8	-74	-23	0	0	0	112.5	K434 E435 F436 K442	K434-N438 WeakPolarHBondContact O-CB 3.33Å; K434-N438 PolarHBondContact O-N 3.37Å; K434-N438 PolarHBondContact O-ND2 2.84Å; K434-N438 VanDerWaalsContact O-ND2 3.14Å; E435-N438 PolarHBondContact O-N 2.98Å; F436-N438 PolarHBondContact O-N 2.97Å; N438-K442 WeakPolarHBondContact O-CB 3.32Å; N438-K442 WeakPolarHBondContact O-CG 3.49Å; N438-K442 PolarHBondContact O-N 2.86Å
439	N	93.3	Very high	86.7	Confident	71 Å²	71	75.3 Å²	75.3	38%	0.38	38%	0.378	S	S	.	.	H	α-helix	trans	-67.9	-39.8	178.4	-74.4	-22	0	0	0	111.5	E435 F436 V437 K442 K443	E435-N439 VanDerWaalsContact O-CB 3.29Å; E435-N439 WeakPolarHBondContact O-CB 3.43Å; E435-N439 PolarHBondContact O-N 3.03Å; E435-N439 PolarHBondContact O-ND2 3.44Å; F436-N439 PolarHBondContact O-N 3.27Å; V437-N439 VanDerWaalsContact C-N 3.35Å; V437-N439 PolarHBondContact O-N 3.04Å; N439-K442 PolarHBondContact O-N 3.47Å; N439-K443 WeakPolarHBondContact O-CG 3.49Å; N439-K443 PolarHBondContact O-N 3.45Å; N439-K443 VanDerWaalsContact O-N 3.08Å
440	L	92.7	Very high	88.2	Confident	4 Å²	4	70.8 Å²	70.8	2%	0.021	36%	0.357	C	S	.	.	H	α-helix	trans	-64.7	-49	175.9	-173.8	60.7	0	0	0	111.2	M327 I417 L420 I421 F436 V437 K442 K443 F444	M327-L440 HydrophobicContact CE-CD1 4.44Å; I417-L440 HydrophobicContact CB-CD2 4.48Å; I417-L440 HydrophobicContact CG1-CG 4.36Å; I417-L440 HydrophobicContact CG2-CD2 4Å; I417-L440 HydrophobicContact CG2-CG 4.32Å; L420-L440 HydrophobicContact CB-CD2 3.79Å; L420-L440 HydrophobicContact CD1-CD1 3.89Å; L420-L440 HydrophobicContact CD1-CD2 4.13Å; I421-L440 HydrophobicContact CG1-CD2 4.19Å; F436-L440 HydrophobicContact CE1-CD2 4.18Å; F436-L440 HydrophobicContact CZ-CD2 4.37Å; F436-L440 WeakPolarHBondContact O-CB 3.4Å; F436-L440 PolarHBondContact O-N 3.35Å; V437-L440 PolarHBondContact O-N 2.58Å; L440-K442 VanDerWaalsContact C-N 3.32Å; L440-K442 PolarHBondContact O-N 3.17Å; L440-K443 WeakPolarHBondContact O-CB 3.36Å; L440-K443 PolarHBondContact O-N 3.22Å; L440-K443 VanDerWaalsContact O-N 3.08Å; L440-F444 HydrophobicContact CD1-CD2 4.13Å; L440-F444 HydrophobicContact CD1-CE2 3.79Å; L440-F444 HydrophobicContact CG-CD2 4.41Å; L440-F444 HydrophobicContact CG-CE2 4.35Å; L440-F444 WeakPolarHBondContact O-CD2 3.32Å; L440-F444 PolarHBondContact O-N 2.97Å
441	T	94	Very high	89.8	Confident	28 Å²	28	64 Å²	64	17%	0.172	33%	0.329	C	S	.	.	H	α-helix	trans	-55.8	-47.2	174.8	-60.9	0	0	0	0	111	F32 V437 K443 F444 T445	F32-T441 HydrophobicContact CB-CG2 3.94Å; F32-T441 HydrophobicContact CD1-CG2 3.69Å; F32-T441 HydrophobicContact CE1-CG2 4.4Å; F32-T441 HydrophobicContact CG-CG2 3.87Å; V437-T441 WeakPolarHBondContact O-CB 3.33Å; V437-T441 PolarHBondContact O-N 3.4Å; V437-T441 PolarHBondContact O-OG1 3.31Å; V437-T441 VanDerWaalsContact O-OG1 3.05Å; T441-K443 VanDerWaalsContact C-N 3.29Å; T441-K443 PolarHBondContact O-N 3.17Å; T441-F444 PolarHBondContact O-N 2.79Å; T441-T445 VanDerWaalsContact O-CB 3.32Å; T441-T445 WeakPolarHBondContact O-CB 3.44Å; T441-T445 PolarHBondContact O-N 3.29Å; T441-T445 PolarHBondContact O-OG1 3.48Å; T441-T445 VanDerWaalsContact O-OG1 3.04Å
442	K	95.2	Very high	91.1	Very high	135 Å²	135	57.5 Å²	57.5	59%	0.587	29%	0.289	S	S	*	.	H	α-helix	trans	-56.7	-39.3	176.2	-77.5	171.1	-175.1	174.8	0	112.9	N438 N439 L440 N446	N438-K442 WeakPolarHBondContact O-CB 3.32Å; N438-K442 WeakPolarHBondContact O-CG 3.49Å; N438-K442 PolarHBondContact O-N 2.86Å; N439-K442 PolarHBondContact O-N 3.47Å; L440-K442 VanDerWaalsContact C-N 3.32Å; L440-K442 PolarHBondContact O-N 3.17Å; K442-N446 WeakPolarHBondContact O-CB 3.28Å; K442-N446 PolarHBondContact O-N 3.09Å
443	K	96.3	Very high	91.9	Very high	89 Å²	89	58 Å²	58	39%	0.387	29%	0.291	S	S	.	.	H	α-helix	trans	-62.6	-48.6	177.8	-74.1	179.1	176.4	-170	0	111.7	L331 N439 L440 T441 N446 V447	L331-K443 HydrophobicContact CD1-CB 4.1Å; L331-K443 HydrophobicContact CD2-CB 4.23Å; L331-K443 HydrophobicContact CD2-CD 4.38Å; N439-K443 WeakPolarHBondContact O-CG 3.49Å; N439-K443 PolarHBondContact O-N 3.45Å; N439-K443 VanDerWaalsContact O-N 3.08Å; L440-K443 WeakPolarHBondContact O-CB 3.36Å; L440-K443 PolarHBondContact O-N 3.22Å; L440-K443 VanDerWaalsContact O-N 3.08Å; T441-K443 VanDerWaalsContact C-N 3.29Å; T441-K443 PolarHBondContact O-N 3.17Å; K443-N446 PolarHBondContact O-N 3.43Å; K443-V447 PolarHBondContact O-N 3.44Å
444	F	96.4	Very high	92.6	Very high	1 Å²	1	57.3 Å²	57.3	0%	0.004	29%	0.294	C	S	.	.	H	α-helix	trans	-67.6	-42.9	179	-83.1	-99.2	0	0	0	112.2	L331 F334 A413 L416 I417 L420 L440 T441 N446 V447 L448	L331-F444 HydrophobicContact CD1-CD2 4.05Å; L331-F444 HydrophobicContact CD1-CE2 4.16Å; L331-F444 HydrophobicContact CD1-CG 4.25Å; L331-F444 HydrophobicContact CD1-CZ 4.47Å; F334-F444 HydrophobicContact CB-CD1 4.13Å; F334-F444 HydrophobicContact CB-CE1 3.73Å; F334-F444 AromaticContact CD1-CD1 3.46Å; F334-F444 HydrophobicContact CD1-CD1 3.46Å; F334-F444 VanDerWaalsContact CD1-CD1 3.46Å; F334-F444 AromaticContact CD1-CE1 3.98Å; F334-F444 HydrophobicContact CD1-CE1 3.98Å; F334-F444 HydrophobicContact CD1-CG 4.37Å; F334-F444 HydrophobicContact CD2-CD1 4.36Å; F334-F444 HydrophobicContact CD2-CE1 4.47Å; F334-F444 HydrophobicContact CE1-CB 4.48Å; F334-F444 AromaticContact CE1-CD1 3.92Å; F334-F444 HydrophobicContact CE1-CD1 3.92Å; F334-F444 AromaticContact CG-CD1 3.71Å; F334-F444 HydrophobicContact CG-CD1 3.71Å; F334-F444 AromaticContact CG-CE1 3.8Å; F334-F444 HydrophobicContact CG-CE1 3.8Å; A413-F444 HydrophobicContact CB-CB 4.26Å; A413-F444 HydrophobicContact CB-CD1 3.9Å; A413-F444 HydrophobicContact CB-CG 4.46Å; L416-F444 HydrophobicContact CB-CE1 3.81Å; L416-F444 HydrophobicContact CB-CZ 4.07Å; L416-F444 HydrophobicContact CD1-CE1 3.9Å; I417-F444 HydrophobicContact CD1-CB 3.95Å; I417-F444 HydrophobicContact CD1-CD2 4.3Å; I417-F444 HydrophobicContact CD1-CG 4.09Å; I417-F444 HydrophobicContact CG1-CB 4.28Å; I417-F444 HydrophobicContact CG1-CD1 4.39Å; I417-F444 HydrophobicContact CG1-CD2 3.7Å; I417-F444 HydrophobicContact CG1-CE2 4.11Å; I417-F444 HydrophobicContact CG1-CG 3.86Å; L420-F444 HydrophobicContact CD1-CE2 3.89Å; L420-F444 HydrophobicContact CD1-CZ 3.99Å; L440-F444 HydrophobicContact CD1-CD2 4.13Å; L440-F444 HydrophobicContact CD1-CE2 3.79Å; L440-F444 HydrophobicContact CG-CD2 4.41Å; L440-F444 HydrophobicContact CG-CE2 4.35Å; L440-F444 WeakPolarHBondContact O-CD2 3.32Å; L440-F444 PolarHBondContact O-N 2.97Å; T441-F444 PolarHBondContact O-N 2.79Å; F444-N446 VanDerWaalsContact C-N 3.32Å; F444-N446 PolarHBondContact O-N 2.92Å; F444-V447 WeakPolarHBondContact O-CB 3.27Å; F444-V447 PolarHBondContact O-N 3.46Å; F444-L448 PolarHBondContact O-N 2.97Å
445	T	94.1	Very high	93.1	Very high	19 Å²	19	54 Å²	54	12%	0.117	28%	0.277	C	S	.	.	H	α-helix	trans	-55.2	-47.3	171.7	-68.3	0	0	0	0	111.6	V28 F32 T441 V447 L448 D449	V28-T445 HydrophobicContact CB-CG2 4.3Å; V28-T445 HydrophobicContact CG1-CG2 3.22Å; V28-T445 HydrophobicContact CG2-CG2 4.18Å; F32-T445 WeakPolarHBondContact CE2-OG1 3.45Å; T441-T445 VanDerWaalsContact O-CB 3.32Å; T441-T445 WeakPolarHBondContact O-CB 3.44Å; T441-T445 PolarHBondContact O-N 3.29Å; T441-T445 PolarHBondContact O-OG1 3.48Å; T441-T445 VanDerWaalsContact O-OG1 3.04Å; T445-V447 PolarHBondContact O-N 2.88Å; T445-L448 WeakPolarHBondContact O-CB 3.32Å; T445-L448 PolarHBondContact O-N 3.47Å; T445-D449 WeakPolarHBondContact CG2-OD2 3.42Å; T445-D449 PolarHBondContact O-N 3.48Å
446	N	94.9	Very high	93.5	Very high	90 Å²	90	48.7 Å²	48.7	48%	0.481	25%	0.252	S	S	.	.	H	α-helix	trans	-61.4	-32.8	-179.9	-177.6	69.5	0	0	0	112.4	K442 K443 F444 T450	K442-N446 WeakPolarHBondContact O-CB 3.28Å; K442-N446 PolarHBondContact O-N 3.09Å; K443-N446 PolarHBondContact O-N 3.43Å; F444-N446 VanDerWaalsContact C-N 3.32Å; F444-N446 PolarHBondContact O-N 2.92Å; N446-T450 WeakPolarHBondContact O-CB 3.34Å; N446-T450 WeakPolarHBondContact O-CG2 3.48Å; N446-T450 PolarHBondContact O-N 2.8Å; N446-T450 PolarHBondContact O-OG1 3.04Å; N446-T450 WeakPolarHBondContact OD1-CG2 3.42Å
447	V	94.4	Very high	93.8	Very high	10 Å²	10	50.7 Å²	50.7	6%	0.061	26%	0.261	C	S	.	.	H	α-helix	trans	-61.9	-47.6	172.6	170.7	0	0	0	0	110.7	L331 F334 K335 V338 K443 F444 T445 T451	L331-V447 HydrophobicContact CD1-CG2 3.69Å; L331-V447 HydrophobicContact CG-CG2 4.29Å; F334-V447 HydrophobicContact CD1-CB 4.05Å; F334-V447 HydrophobicContact CD1-CG1 3.78Å; F334-V447 HydrophobicContact CE1-CB 4.05Å; F334-V447 HydrophobicContact CE1-CG1 3.89Å; K335-V447 HydrophobicContact CB-CG1 3.78Å; K335-V447 HydrophobicContact CB-CG2 4.42Å; K335-V447 HydrophobicContact CG-CG1 4.11Å; V338-V447 HydrophobicContact CB-CG1 4.42Å; V338-V447 HydrophobicContact CG1-CG1 4.42Å; V338-V447 HydrophobicContact CG2-CG1 4.27Å; K443-V447 PolarHBondContact O-N 3.44Å; F444-V447 WeakPolarHBondContact O-CB 3.27Å; F444-V447 PolarHBondContact O-N 3.46Å; T445-V447 PolarHBondContact O-N 2.88Å; V447-T451 WeakPolarHBondContact O-CA 3.46Å; V447-T451 WeakPolarHBondContact O-CB 3.42Å; V447-T451 PolarHBondContact O-N 3.4Å; V447-T451 PolarHBondContact O-OG1 3.12Å; V447-T451 VanDerWaalsContact O-OG1 3.12Å
448	L	92.9	Very high	94	Very high	16 Å²	16	51.9 Å²	51.9	8%	0.084	27%	0.272	C	S	.	.	I	π-helix	trans	-61.1	-48.2	177	-71	170.4	0	0	0	111.7	F32 F334 V338 C409 A410 F444 T445 T450 Y452	F32-L448 HydrophobicContact CE2-CD1 4.34Å; F32-L448 HydrophobicContact CZ-CD1 4.17Å; F334-L448 HydrophobicContact CE1-CD2 4.33Å; F334-L448 HydrophobicContact CE1-CG 4.02Å; F334-L448 HydrophobicContact CZ-CD1 4.2Å; F334-L448 HydrophobicContact CZ-CD2 3.84Å; F334-L448 HydrophobicContact CZ-CG 3.86Å; V338-L448 HydrophobicContact CG2-CD2 3.82Å; C409-L448 HydrophobicContact CB-CD2 3.67Å; A410-L448 HydrophobicContact CB-CD1 3.83Å; F444-L448 PolarHBondContact O-N 2.97Å; T445-L448 WeakPolarHBondContact O-CB 3.32Å; T445-L448 PolarHBondContact O-N 3.47Å; L448-T450 PolarHBondContact O-N 2.89Å; L448-Y452 WeakPolarHBondContact O-CB 3.31Å; L448-Y452 PolarHBondContact O-N 3.33Å
449	D	88	Confident	94.3	Very high	41 Å²	41	48.1 Å²	48.1	22%	0.219	25%	0.252	C	S	.	.	I	π-helix	trans	-61.9	-46.4	-178	-71.1	-22.8	0	0	0	111.5	Q24 V28 T445	Q24-D449 PolarHBondContact NE2-O 3.06Å; V28-D449 WeakPolarHBondContact CG2-OD1 3.04Å; T445-D449 WeakPolarHBondContact CG2-OD2 3.42Å; T445-D449 PolarHBondContact O-N 3.48Å
450	T	93	Very high	94.5	Very high	76 Å²	76	46.2 Å²	46.2	47%	0.466	24%	0.239	S	C	.	.	I	π-helix	trans	-87.5	-28	-173	60.4	0	0	0	0	113.7	N446 L448	N446-T450 WeakPolarHBondContact O-CB 3.34Å; N446-T450 WeakPolarHBondContact O-CG2 3.48Å; N446-T450 PolarHBondContact O-N 2.8Å; N446-T450 PolarHBondContact O-OG1 3.04Å; N446-T450 WeakPolarHBondContact OD1-CG2 3.42Å; L448-T450 PolarHBondContact O-N 2.89Å
451	T	94.5	Very high	94.8	Very high	20 Å²	20	47 Å²	47	12%	0.123	24%	0.243	C	C	.	.	I	π-helix	trans	-103.8	-49.4	-168.1	-51.6	0	0	0	0	112.7	K335 V338 K339 V447 S454 Y455	K335-T451 HydrophobicContact CG-CG2 4.5Å; V338-T451 HydrophobicContact CG1-CG2 4.13Å; K339-T451 HydrophobicContact CG-CG2 3.69Å; V447-T451 WeakPolarHBondContact O-CA 3.46Å; V447-T451 WeakPolarHBondContact O-CB 3.42Å; V447-T451 PolarHBondContact O-N 3.4Å; V447-T451 PolarHBondContact O-OG1 3.12Å; V447-T451 VanDerWaalsContact O-OG1 3.12Å; T451-S454 PolarHBondContact O-N 3.05Å; T451-Y455 VanDerWaalsContact O-CB 3.24Å; T451-Y455 WeakPolarHBondContact O-CB 3.39Å; T451-Y455 PolarHBondContact O-N 3.38Å
452	Y	95.3	Very high	94.9	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.016	25%	0.253	C	S	.	.	I	π-helix	trans	-59.9	-61.4	-163.5	-176.4	-91.4	0	0	0	113	V338 T341 A342 P402 C405 A406 L448 S454 Y455 F456	V338-Y452 HydrophobicContact CG1-CD2 4Å; V338-Y452 HydrophobicContact CG1-CG 4.42Å; T341-Y452 HydrophobicContact CG2-CE2 4.24Å; A342-Y452 HydrophobicContact CB-CD2 3.9Å; A342-Y452 HydrophobicContact CB-CE2 3.92Å; A342-Y452 HydrophobicContact CB-CG 4.42Å; P402-Y452 VanDerWaalsContact O-CE1 3.3Å; P402-Y452 WeakPolarHBondContact O-CE1 3.09Å; P402-Y452 PolarHBondContact O-OH 2.98Å; C405-Y452 WeakPolarHBondContact CB-OH 3.49Å; A406-Y452 HydrophobicContact CB-CD1 3.75Å; A406-Y452 HydrophobicContact CB-CE1 3.53Å; A406-Y452 HydrophobicContact CB-CE2 4.35Å; A406-Y452 HydrophobicContact CB-CG 4.27Å; A406-Y452 PolarHBondContact N-OH 3.31Å; L448-Y452 WeakPolarHBondContact O-CB 3.31Å; L448-Y452 PolarHBondContact O-N 3.33Å; Y452-S454 VanDerWaalsContact C-N 3.33Å; Y452-S454 PolarHBondContact O-N 3.46Å; Y452-Y455 PolarHBondContact O-N 2.89Å; Y452-F456 WeakPolarHBondContact O-CB 3.09Å; Y452-F456 PolarHBondContact O-N 3.3Å
453	M	91	Very high	95.1	Very high	53 Å²	53	47 Å²	47	26%	0.261	24%	0.24	S	C	.	.	H	α-helix	trans	-70.4	-30.5	-176.4	-75.3	-52.6	-59.4	0	0	113	F456 K457	M453-F456 HydrophobicContact CE-CD1 3.85Å; M453-F456 HydrophobicContact CE-CE1 4.39Å; M453-K457 WeakPolarHBondContact O-CB 3.23Å; M453-K457 WeakPolarHBondContact O-CG 3.28Å; M453-K457 PolarHBondContact O-N 3.19Å
454	S	93.3	Very high	95.2	Very high	79 Å²	79	42.8 Å²	42.8	55%	0.552	22%	0.222	S	C	*	.	H	α-helix	trans	-63.9	-48	175.2	-176.7	0	0	0	0	110.6	T451 Y452 K457 S458	T451-S454 PolarHBondContact O-N 3.05Å; Y452-S454 VanDerWaalsContact C-N 3.33Å; Y452-S454 PolarHBondContact O-N 3.46Å; S454-K457 PolarHBondContact O-N 2.97Å; S454-S458 PolarHBondContact O-N 3.16Å
455	Y	96.2	Very high	95.3	Very high	91 Å²	91	43.8 Å²	43.8	36%	0.357	23%	0.226	S	C	.	.	H	α-helix	trans	-68	-43.9	179.8	-159	-102.4	0	0	0	112.1	K339 A342 N343 T451 Y452 K457 S458 V459	K339-Y455 HydrophobicContact CB-CD1 3.91Å; K339-Y455 HydrophobicContact CB-CE1 3.79Å; K339-Y455 HydrophobicContact CB-CG 4.33Å; K339-Y455 HydrophobicContact CD-CE2 4.35Å; K339-Y455 HydrophobicContact CG-CD1 4.19Å; K339-Y455 HydrophobicContact CG-CD2 4.13Å; K339-Y455 HydrophobicContact CG-CE1 4.3Å; K339-Y455 HydrophobicContact CG-CE2 4.29Å; K339-Y455 HydrophobicContact CG-CG 4.09Å; K339-Y455 VanDerWaalsContact O-CD1 3.28Å; K339-Y455 WeakPolarHBondContact O-CD1 3.48Å; K339-Y455 VanDerWaalsContact O-CE1 3.3Å; K339-Y455 WeakPolarHBondContact O-CE1 3.49Å; A342-Y455 HydrophobicContact CB-CD1 4.14Å; N343-Y455 HydrophobicContact CB-CD1 4.49Å; N343-Y455 HydrophobicContact CB-CE1 3.97Å; T451-Y455 VanDerWaalsContact O-CB 3.24Å; T451-Y455 WeakPolarHBondContact O-CB 3.39Å; T451-Y455 PolarHBondContact O-N 3.38Å; Y452-Y455 PolarHBondContact O-N 2.89Å; Y455-K457 PolarHBondContact O-N 3.22Å; Y455-S458 PolarHBondContact O-N 2.85Å; Y455-V459 HydrophobicContact CD1-CG2 4.2Å; Y455-V459 HydrophobicContact CE1-CG2 4.02Å; Y455-V459 WeakPolarHBondContact O-CG2 3.32Å; Y455-V459 PolarHBondContact O-N 3.45Å
456	F	97	Very high	95.5	Very high	20 Å²	20	45.9 Å²	45.9	9%	0.088	23%	0.233	C	C	.	.	H	α-helix	trans	-53.1	-52	173	170.3	-94	0	0	0	111.4	A342 V345 A346 Q349 P402 Y452 M453 S458 V459 Y460	A342-F456 HydrophobicContact CB-CB 4.1Å; V345-F456 HydrophobicContact CG1-CD2 3.64Å; V345-F456 HydrophobicContact CG1-CE2 3.87Å; A346-F456 VanDerWaalsContact CA-CE2 3.49Å; A346-F456 HydrophobicContact CB-CD2 3.68Å; A346-F456 HydrophobicContact CB-CE2 3.87Å; A346-F456 HydrophobicContact CB-CG 4.46Å; Q349-F456 HydrophobicContact CG-CE2 4.11Å; Q349-F456 HydrophobicContact CG-CZ 4.1Å; P402-F456 HydrophobicContact CB-CD2 4.44Å; P402-F456 HydrophobicContact CB-CE2 4.02Å; P402-F456 HydrophobicContact CB-CZ 4.07Å; P402-F456 HydrophobicContact CG-CE1 4.45Å; P402-F456 HydrophobicContact CG-CE2 3.79Å; P402-F456 HydrophobicContact CG-CZ 3.67Å; Y452-F456 WeakPolarHBondContact O-CB 3.09Å; Y452-F456 PolarHBondContact O-N 3.3Å; M453-F456 HydrophobicContact CE-CD1 3.85Å; M453-F456 HydrophobicContact CE-CE1 4.39Å; F456-S458 VanDerWaalsContact C-N 3.34Å; F456-S458 PolarHBondContact O-N 3.09Å; F456-V459 PolarHBondContact O-N 3.29Å; F456-Y460 WeakPolarHBondContact O-CB 3.03Å; F456-Y460 PolarHBondContact O-N 3.22Å
457	K	95	Very high	95.7	Very high	84 Å²	84	41.9 Å²	41.9	37%	0.365	21%	0.212	S	C	.	.	H	α-helix	trans	-60.8	-43.1	-178.9	-76.4	174.5	-178.1	-176.6	0	111.9	M453 S454 Y455 Y460 L461	M453-K457 WeakPolarHBondContact O-CB 3.23Å; M453-K457 WeakPolarHBondContact O-CG 3.28Å; M453-K457 PolarHBondContact O-N 3.19Å; S454-K457 PolarHBondContact O-N 2.97Å; Y455-K457 PolarHBondContact O-N 3.22Å; K457-Y460 PolarHBondContact O-N 3.41Å; K457-L461 VanDerWaalsContact O-CB 3.31Å; K457-L461 WeakPolarHBondContact O-CB 3.44Å; K457-L461 VanDerWaalsContact O-CG 3.32Å; K457-L461 WeakPolarHBondContact O-CG 3.34Å; K457-L461 PolarHBondContact O-N 3.32Å
458	S	96.3	Very high	95.8	Very high	68 Å²	68	41.4 Å²	41.4	48%	0.476	21%	0.209	S	C	.	.	H	α-helix	trans	-58.8	-53.5	178.7	-176.8	0	0	0	0	111.5	S454 Y455 F456 Y460 L461 E462	S454-S458 PolarHBondContact O-N 3.16Å; Y455-S458 PolarHBondContact O-N 2.85Å; F456-S458 VanDerWaalsContact C-N 3.34Å; F456-S458 PolarHBondContact O-N 3.09Å; S458-Y460 PolarHBondContact O-N 3.31Å; S458-L461 PolarHBondContact O-N 3.25Å; S458-E462 WeakPolarHBondContact O-CB 3.37Å; S458-E462 PolarHBondContact O-N 3.4Å
459	V	97.5	Very high	96.1	Very high	12 Å²	12	40.7 Å²	40.7	7%	0.073	21%	0.205	C	C	.	.	H	α-helix	trans	-62.9	-44.8	179.6	175.2	0	0	0	0	111.2	N343 A346 Y455 F456 E462 R463	N343-V459 HydrophobicContact CB-CG2 4.35Å; N343-V459 WeakPolarHBondContact OD1-CG1 3.43Å; A346-V459 HydrophobicContact CB-CB 3.91Å; A346-V459 HydrophobicContact CB-CG1 3.72Å; Y455-V459 HydrophobicContact CD1-CG2 4.2Å; Y455-V459 HydrophobicContact CE1-CG2 4.02Å; Y455-V459 WeakPolarHBondContact O-CG2 3.32Å; Y455-V459 PolarHBondContact O-N 3.45Å; F456-V459 PolarHBondContact O-N 3.29Å; V459-E462 PolarHBondContact O-N 2.99Å; V459-R463 WeakPolarHBondContact O-CB 3.42Å; V459-R463 WeakPolarHBondContact O-CG 3.34Å; V459-R463 PolarHBondContact O-N 3.01Å
460	Y	97.7	Very high	96.5	Very high	30 Å²	30	39.1 Å²	39.1	12%	0.118	20%	0.196	C	C	.	.	H	α-helix	trans	-60.6	-50.7	179.8	177.3	-100.8	0	0	0	111.5	Q349 T350 F456 K457 S458 E462 R463 M464 I482 F486	Q349-Y460 HydrophobicContact CB-CD2 3.99Å; Q349-Y460 HydrophobicContact CB-CE2 3.82Å; T350-Y460 HydrophobicContact CG2-CD2 3.79Å; T350-Y460 HydrophobicContact CG2-CE2 4.15Å; F456-Y460 WeakPolarHBondContact O-CB 3.03Å; F456-Y460 PolarHBondContact O-N 3.22Å; K457-Y460 PolarHBondContact O-N 3.41Å; S458-Y460 PolarHBondContact O-N 3.31Å; Y460-E462 PolarHBondContact O-N 3.04Å; Y460-R463 PolarHBondContact O-N 3.3Å; Y460-M464 HydrophobicContact CD1-CG 4.21Å; Y460-M464 HydrophobicContact CD2-CG 4.15Å; Y460-M464 HydrophobicContact CE1-CG 3.88Å; Y460-M464 HydrophobicContact CE2-CG 3.8Å; Y460-M464 HydrophobicContact CE2-SD 4.22Å; Y460-M464 HydrophobicContact CG-CG 4.36Å; Y460-M464 WeakPolarHBondContact O-CB 3.19Å; Y460-M464 VanDerWaalsContact O-CG 3.26Å; Y460-M464 WeakPolarHBondContact O-CG 3.36Å; Y460-M464 PolarHBondContact O-N 2.87Å; Y460-I482 HydrophobicContact CE1-CG2 3.96Å; Y460-F486 WeakPolarHBondContact OH-CE2 3.29Å
461	L	97.4	Very high	96.6	Very high	20 Å²	20	39.3 Å²	39.3	11%	0.105	19%	0.191	C	C	.	.	H	α-helix	trans	-63.5	-40.7	178.8	-74.3	175.8	0	0	0	111.9	K457 S458 R463 M464 R465 D475 A479 I482	K457-L461 VanDerWaalsContact O-CB 3.31Å; K457-L461 WeakPolarHBondContact O-CB 3.44Å; K457-L461 VanDerWaalsContact O-CG 3.32Å; K457-L461 WeakPolarHBondContact O-CG 3.34Å; K457-L461 PolarHBondContact O-N 3.32Å; S458-L461 PolarHBondContact O-N 3.25Å; L461-R463 PolarHBondContact O-N 3.17Å; L461-M464 PolarHBondContact O-N 3.1Å; L461-R465 WeakPolarHBondContact O-CB 3.4Å; L461-R465 WeakPolarHBondContact O-CG 3.26Å; L461-R465 PolarHBondContact O-N 3.21Å; L461-R465 PolarHBondContact O-NE 3.24Å; L461-D475 HydrophobicContact CD1-CB 4.45Å; L461-A479 HydrophobicContact CD2-CB 4.05Å; L461-I482 HydrophobicContact CD2-CD1 3.68Å
462	E	97.9	Very high	96.5	Very high	82 Å²	82	41.8 Å²	41.8	38%	0.383	20%	0.198	S	C	.	.	H	α-helix	trans	-58.1	-48.6	175.3	-169.4	-157.2	137.4	0	0	111.5	S458 V459 Y460 R465 K466	S458-E462 WeakPolarHBondContact O-CB 3.37Å; S458-E462 PolarHBondContact O-N 3.4Å; V459-E462 PolarHBondContact O-N 2.99Å; Y460-E462 PolarHBondContact O-N 3.04Å; E462-R465 PolarHBondContact O-N 3.3Å; E462-K466 WeakPolarHBondContact O-CG 3.06Å; E462-K466 PolarHBondContact O-N 3.12Å; E462-K466 IonicContact OE1-NZ 3.72Å; E462-K466 PolarHBondContact OE1-NZ 2.88Å
463	R	97.9	Very high	96.6	Very high	82 Å²	82	45.4 Å²	45.4	31%	0.309	22%	0.223	S	C	.	.	H	α-helix	trans	-67.6	-43	-179.9	-73	-71.8	-177.9	164.3	3.5	112.1	L347 T350 V459 Y460 L461 R465 K466 K467	L347-R463 HydrophobicContact CD2-CG 3.93Å; T350-R463 HydrophobicContact CG2-CB 3.5Å; T350-R463 HydrophobicContact CG2-CG 4.42Å; V459-R463 WeakPolarHBondContact O-CB 3.42Å; V459-R463 WeakPolarHBondContact O-CG 3.34Å; V459-R463 PolarHBondContact O-N 3.01Å; Y460-R463 PolarHBondContact O-N 3.3Å; L461-R463 PolarHBondContact O-N 3.17Å; R463-R465 PolarHBondContact O-N 2.72Å; R463-K466 WeakPolarHBondContact O-CB 3.33Å; R463-K466 PolarHBondContact O-N 2.99Å; R463-K466 VanDerWaalsContact O-N 3.15Å; R463-K467 WeakPolarHBondContact O-CG 3.41Å; R463-K467 PolarHBondContact O-N 3.32Å
464	M	98.3	Very high	96.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.9	-37.7	177.8	-71.5	-56	-57.8	0	0	112.4	T350 Y460 L461 K466 K467 L468 I482 F486 F500	T350-M464 HydrophobicContact CG2-CG 4.11Å; T350-M464 HydrophobicContact CG2-SD 4Å; Y460-M464 HydrophobicContact CD1-CG 4.21Å; Y460-M464 HydrophobicContact CD2-CG 4.15Å; Y460-M464 HydrophobicContact CE1-CG 3.88Å; Y460-M464 HydrophobicContact CE2-CG 3.8Å; Y460-M464 HydrophobicContact CE2-SD 4.22Å; Y460-M464 HydrophobicContact CG-CG 4.36Å; Y460-M464 WeakPolarHBondContact O-CB 3.19Å; Y460-M464 VanDerWaalsContact O-CG 3.26Å; Y460-M464 WeakPolarHBondContact O-CG 3.36Å; Y460-M464 PolarHBondContact O-N 2.87Å; L461-M464 PolarHBondContact O-N 3.1Å; M464-K466 VanDerWaalsContact C-N 3.32Å; M464-K466 PolarHBondContact O-N 2.7Å; M464-K467 PolarHBondContact O-N 2.92Å; M464-K467 HydrophobicContact SD-CD 3.92Å; M464-L468 WeakPolarHBondContact O-CB 3.34Å; M464-L468 WeakPolarHBondContact O-CG 3.29Å; M464-L468 PolarHBondContact O-N 2.98Å; M464-I482 HydrophobicContact CB-CD1 3.39Å; M464-I482 HydrophobicContact CB-CG1 4.01Å; M464-I482 HydrophobicContact CE-CG1 4.44Å; M464-I482 HydrophobicContact CE-CG2 4Å; M464-I482 HydrophobicContact CG-CD1 4.19Å; M464-I482 HydrophobicContact CG-CG2 4.29Å; M464-F486 HydrophobicContact CE-CE2 3.76Å; M464-F486 HydrophobicContact CE-CZ 3.81Å; M464-F486 HydrophobicContact SD-CE2 4.44Å; M464-F486 HydrophobicContact SD-CZ 4.33Å; M464-F500 HydrophobicContact CE-CE1 3.93Å; M464-F500 HydrophobicContact CE-CZ 3.82Å
465	R	98.5	Very high	96.7	Very high	22 Å²	22	46.8 Å²	46.8	8%	0.083	22%	0.221	C	C	.	.	H	α-helix	trans	-57.1	-45.5	170.5	-82.5	-175.9	-77.2	-99.1	3.9	111.7	L461 E462 R463 L468 G469 L470 D475 D478	L461-R465 WeakPolarHBondContact O-CB 3.4Å; L461-R465 WeakPolarHBondContact O-CG 3.26Å; L461-R465 PolarHBondContact O-N 3.21Å; L461-R465 PolarHBondContact O-NE 3.24Å; E462-R465 PolarHBondContact O-N 3.3Å; R463-R465 PolarHBondContact O-N 2.72Å; R465-L468 CarbonylContact O-C 3.46Å; R465-L468 PolarHBondContact O-N 2.75Å; R465-G469 CarbonylContact O-C 3.56Å; R465-G469 WeakPolarHBondContact O-CA 3.42Å; R465-G469 PolarHBondContact O-N 2.97Å; R465-L470 HydrophobicContact CB-CB 4.08Å; R465-L470 HydrophobicContact CG-CB 4.1Å; R465-L470 HydrophobicContact CG-CD1 4.21Å; R465-L470 PolarHBondContact O-N 2.6Å; R465-D475 IonicContact CZ-OD1 2.65Å; R465-D475 IonicContact NH1-OD1 2.83Å; R465-D475 PolarHBondContact NH1-OD1 3.02Å; R465-D475 IonicContact NH2-OD1 3.74Å; R465-D478 VanDerWaalsContact CD-OD2 3.3Å; R465-D478 WeakPolarHBondContact CD-OD2 3.34Å; R465-D478 HydrophobicContact CG-CB 4.49Å; R465-D478 IonicContact NH1-OD2 3.77Å; R465-D478 PolarHBondContact NH1-OD2 3.23Å
466	K	98.3	Very high	96.6	Very high	64 Å²	64	50.4 Å²	50.4	28%	0.278	24%	0.242	S	C	.	.	H	α-helix	trans	-62.6	-43.2	177.1	-65.9	173.6	172.3	167.7	0	111.7	E462 R463 M464 L468 G469 L630 V634	E462-K466 WeakPolarHBondContact O-CG 3.06Å; E462-K466 PolarHBondContact O-N 3.12Å; E462-K466 IonicContact OE1-NZ 3.72Å; E462-K466 PolarHBondContact OE1-NZ 2.88Å; R463-K466 WeakPolarHBondContact O-CB 3.33Å; R463-K466 PolarHBondContact O-N 2.99Å; R463-K466 VanDerWaalsContact O-N 3.15Å; M464-K466 VanDerWaalsContact C-N 3.32Å; M464-K466 PolarHBondContact O-N 2.7Å; K466-L468 VanDerWaalsContact C-N 3.29Å; K466-L468 PolarHBondContact O-N 3Å; K466-G469 WeakPolarHBondContact O-CA 3.45Å; K466-G469 PolarHBondContact O-N 3.27Å; K466-L630 HydrophobicContact CB-CD1 4.18Å; K466-L630 HydrophobicContact CB-CG 4.42Å; K466-L630 HydrophobicContact CG-CD1 4.1Å; K466-V634 HydrophobicContact CB-CG1 4.18Å; K466-V634 HydrophobicContact CB-CG2 3.96Å
467	K	98.4	Very high	96.5	Very high	6 Å²	6	53.6 Å²	53.6	3%	0.026	26%	0.259	C	S	.	.	H	α-helix	trans	-62.4	-34.9	177.2	-69	-179.5	57.2	63	0	113.3	T350 R463 M464 G469 F500 M631 V634 N635	T350-K467 VanDerWaalsContact O-CD 3.29Å; T350-K467 WeakPolarHBondContact O-CD 3.15Å; T350-K467 WeakPolarHBondContact O-CE 3.39Å; T350-K467 PolarHBondContact O-NZ 3.39Å; R463-K467 WeakPolarHBondContact O-CG 3.41Å; R463-K467 PolarHBondContact O-N 3.32Å; M464-K467 PolarHBondContact O-N 2.92Å; M464-K467 HydrophobicContact SD-CD 3.92Å; K467-G469 VanDerWaalsContact C-N 3.28Å; K467-F500 HydrophobicContact CB-CD1 4.03Å; K467-F500 HydrophobicContact CB-CE1 4.06Å; K467-F500 VanDerWaalsContact CE-CE1 3.45Å; K467-F500 VanDerWaalsContact CE-CE2 3.46Å; K467-M631 WeakPolarHBondContact O-CE 3.47Å; K467-V634 HydrophobicContact CG-CG2 4.07Å; K467-N635 WeakPolarHBondContact CA-OD1 3.3Å; K467-N635 WeakPolarHBondContact CB-OD1 3.44Å; K467-N635 VanDerWaalsContact CG-OD1 3.3Å; K467-N635 WeakPolarHBondContact CG-OD1 3.46Å; K467-N635 PolarHBondContact NZ-OD1 3.44Å; K467-N635 PolarHBondContact O-ND2 2.86Å
468	L	98.4	Very high	96.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-2	173.9	-65.8	178.5	0	0	0	113.1	M464 R465 K466 L470 L481 I482 L485 F500 L503 W601 Y605	M464-L468 WeakPolarHBondContact O-CB 3.34Å; M464-L468 WeakPolarHBondContact O-CG 3.29Å; M464-L468 PolarHBondContact O-N 2.98Å; R465-L468 CarbonylContact O-C 3.46Å; R465-L468 PolarHBondContact O-N 2.75Å; K466-L468 VanDerWaalsContact C-N 3.29Å; K466-L468 PolarHBondContact O-N 3Å; L468-L470 HydrophobicContact CB-CD1 4.12Å; L468-L470 HydrophobicContact CB-CG 3.97Å; L468-L470 HydrophobicContact CD1-CD1 4.26Å; L468-L481 HydrophobicContact CD1-CD2 4.32Å; L468-I482 HydrophobicContact CD1-CG1 3.79Å; L468-L485 HydrophobicContact CD2-CD2 4.02Å; L468-F500 HydrophobicContact CD2-CE1 4.36Å; L468-L503 HydrophobicContact CD2-CD2 3.67Å; L468-W601 HydrophobicContact CD2-CH2 4.07Å; L468-W601 HydrophobicContact CD2-CZ2 4.14Å; L468-Y605 HydrophobicContact CB-CE2 4.26Å; L468-Y605 WeakPolarHBondContact O-CE2 3.49Å; L468-Y605 PolarHBondContact O-OH 3.09Å
469	G	97.4	Very high	96.6	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	72.2	-169.9	0	0	0	0	0	111.1	R465 K466 K467 R627	R465-G469 CarbonylContact O-C 3.56Å; R465-G469 WeakPolarHBondContact O-CA 3.42Å; R465-G469 PolarHBondContact O-N 2.97Å; K466-G469 WeakPolarHBondContact O-CA 3.45Å; K466-G469 PolarHBondContact O-N 3.27Å; K467-G469 VanDerWaalsContact C-N 3.28Å; G469-R627 WeakPolarHBondContact O-CD 3.34Å; G469-R627 WeakPolarHBondContact O-CG 3.42Å; G469-R627 PolarHBondContact O-NH1 3.11Å
470	L	97.3	Very high	96.5	Very high	8 Å²	8	50.8 Å²	50.8	4%	0.042	24%	0.244	C	C	.	.			trans	-122.3	125.8	175.8	-60.2	177.4	0	0	0	109	R465 L468 L481 Y605 R608 L609 D612	R465-L470 HydrophobicContact CB-CB 4.08Å; R465-L470 HydrophobicContact CG-CB 4.1Å; R465-L470 HydrophobicContact CG-CD1 4.21Å; R465-L470 PolarHBondContact O-N 2.6Å; L468-L470 HydrophobicContact CB-CD1 4.12Å; L468-L470 HydrophobicContact CB-CG 3.97Å; L468-L470 HydrophobicContact CD1-CD1 4.26Å; L470-L481 HydrophobicContact CD1-CD2 4.32Å; L470-Y605 HydrophobicContact CD2-CE2 4.08Å; L470-R608 HydrophobicContact CD1-CG 4.32Å; L470-R608 HydrophobicContact CD2-CG 4.08Å; L470-L609 HydrophobicContact CD2-CD2 3.75Å; L470-D612 WeakPolarHBondContact CA-OD2 3.3Å
471	F	94.2	Very high	96.5	Very high	81 Å²	81	49.8 Å²	49.8	36%	0.355	24%	0.24	S	C	.	.			trans	-96.3	-32.7	-169.9	-77.3	-83.2	0	0	0	114.4	D612 E626 R627 L630	F471-D612 PolarHBondContact N-OD2 3.09Å; F471-E626 HydrophobicContact CZ-CB 4.14Å; F471-R627 HydrophobicContact CE2-CB 4.09Å; F471-R627 HydrophobicContact CE2-CG 4.35Å; F471-L630 HydrophobicContact CD1-CD2 4.42Å; F471-L630 HydrophobicContact CE1-CD2 3.92Å; F471-L630 HydrophobicContact CE2-CD2 4.31Å; F471-L630 HydrophobicContact CZ-CB 4.18Å; F471-L630 HydrophobicContact CZ-CD2 3.86Å
472	Y	94.3	Very high	96.6	Very high	71 Å²	71	49 Å²	49	28%	0.278	24%	0.236	S	C	.	.	S	Bend	trans	-113.6	107.2	-177.1	-55.2	-75.1	0	0	0	110.9	K474 R608 D612 R615	Y472-K474 PolarHBondContact O-N 2.8Å; Y472-R608 PolarHBondContact O-NH2 3.49Å; Y472-D612 HydrophobicContact CD2-CB 3.99Å; Y472-D612 WeakPolarHBondContact CD2-OD1 3.38Å; Y472-D612 HydrophobicContact CE2-CB 4.27Å; Y472-D612 PolarHBondContact N-OD1 3.43Å; Y472-R615 HydrophobicContact CD2-CB 3.91Å; Y472-R615 HydrophobicContact CE1-CB 4.46Å; Y472-R615 HydrophobicContact CE2-CB 3.54Å; Y472-R615 HydrophobicContact CG-CB 4.49Å
473	P	95.6	Very high	96.4	Very high	81 Å²	81	46.2 Å²	46.2	53%	0.526	22%	0.223	S	C	.	.			trans	-54.9	135.4	-174.6	-28.5	35.7	0	0	0	114.3
474	K	96	Very high	96.3	Very high	70 Å²	70	46.5 Å²	46.5	30%	0.304	23%	0.231	S	C	.	.			trans	-139.1	74.1	173.8	-67.3	-63.6	178.6	-178.1	0	108.6	Y472 E476 I477 D478	Y472-K474 PolarHBondContact O-N 2.8Å; K474-E476 PolarHBondContact O-N 3.25Å; K474-E476 VanDerWaalsContact O-N 3.12Å; K474-I477 HydrophobicContact CB-CB 4.23Å; K474-I477 HydrophobicContact CB-CD1 4.39Å; K474-I477 PolarHBondContact O-N 3.37Å; K474-D478 PolarHBondContact N-OD2 3.08Å; K474-D478 WeakPolarHBondContact O-CB 3.28Å; K474-D478 PolarHBondContact O-N 3.3Å
475	D	91.9	Very high	96.3	Very high	90 Å²	90	46.6 Å²	46.6	48%	0.481	23%	0.231	S	C	.	.	H	α-helix	trans	-49	-46.3	-163.1	-68.8	-20.3	0	0	0	115.2	L461 R465 A479	L461-D475 HydrophobicContact CD1-CB 4.45Å; R465-D475 IonicContact CZ-OD1 2.65Å; R465-D475 IonicContact NH1-OD1 2.83Å; R465-D475 PolarHBondContact NH1-OD1 3.02Å; R465-D475 IonicContact NH2-OD1 3.74Å; D475-A479 WeakPolarHBondContact O-CB 3.44Å; D475-A479 PolarHBondContact O-N 2.76Å
476	E	92.9	Very high	96.2	Very high	168 Å²	168	45.5 Å²	45.5	79%	0.785	23%	0.227	S	C	*	.	H	α-helix	trans	-65.5	-48.6	178.9	-65.3	-175.1	170	0	0	112.3	K474 A479 D480	K474-E476 PolarHBondContact O-N 3.25Å; K474-E476 VanDerWaalsContact O-N 3.12Å; E476-A479 PolarHBondContact O-N 3.08Å; E476-D480 PolarHBondContact O-N 2.93Å; E476-D480 VanDerWaalsContact O-N 3.09Å
477	I	95.9	Very high	96	Very high	86 Å²	86	44 Å²	44	44%	0.441	22%	0.222	S	C	.	.	H	α-helix	trans	-66.9	-40.8	-179.1	-56.1	174.2	0	0	0	110.6	K474 L481 I611	K474-I477 HydrophobicContact CB-CB 4.23Å; K474-I477 HydrophobicContact CB-CD1 4.39Å; K474-I477 PolarHBondContact O-N 3.37Å; I477-L481 VanDerWaalsContact O-CB 3.25Å; I477-L481 WeakPolarHBondContact O-CB 3.4Å; I477-L481 PolarHBondContact O-N 2.98Å; I477-I611 HydrophobicContact CD1-CD1 4.38Å
478	D	97.5	Very high	95.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-66	-44.2	179.4	-63.4	-21.4	0	0	0	110.3	R465 K474 L481 I482 R608	R465-D478 VanDerWaalsContact CD-OD2 3.3Å; R465-D478 WeakPolarHBondContact CD-OD2 3.34Å; R465-D478 HydrophobicContact CG-CB 4.49Å; R465-D478 IonicContact NH1-OD2 3.77Å; R465-D478 PolarHBondContact NH1-OD2 3.23Å; K474-D478 PolarHBondContact N-OD2 3.08Å; K474-D478 WeakPolarHBondContact O-CB 3.28Å; K474-D478 PolarHBondContact O-N 3.3Å; D478-L481 PolarHBondContact O-N 3.41Å; D478-I482 WeakPolarHBondContact O-CB 3.38Å; D478-I482 VanDerWaalsContact O-CD1 3.27Å; D478-I482 WeakPolarHBondContact O-CD1 3.43Å; D478-I482 WeakPolarHBondContact O-CG1 3.49Å; D478-I482 PolarHBondContact O-N 3.32Å; D478-R608 IonicContact OD1-CZ 3.67Å; D478-R608 VanDerWaalsContact OD1-CZ 3.31Å; D478-R608 IonicContact OD1-NE 2.8Å; D478-R608 PolarHBondContact OD1-NE 3.05Å; D478-R608 IonicContact OD1-NH2 3.77Å; D478-R608 PolarHBondContact OD1-NH2 2.93Å; D478-R608 IonicContact OD2-NH2 3.72Å
479	A	95.4	Very high	95.8	Very high	13 Å²	13	44.3 Å²	44.3	11%	0.107	23%	0.225	C	C	.	.	H	α-helix	trans	-60.5	-47.8	177.5	0	0	0	0	0	111.8	F19 L461 D475 E476 L481 I482 E483	F19-A479 HydrophobicContact CE2-CB 4.33Å; F19-A479 HydrophobicContact CZ-CB 3.97Å; L461-A479 HydrophobicContact CD2-CB 4.05Å; D475-A479 WeakPolarHBondContact O-CB 3.44Å; D475-A479 PolarHBondContact O-N 2.76Å; E476-A479 PolarHBondContact O-N 3.08Å; A479-L481 VanDerWaalsContact C-N 3.33Å; A479-L481 PolarHBondContact O-N 2.96Å; A479-I482 PolarHBondContact O-N 3.34Å; A479-E483 PolarHBondContact O-N 3.47Å
480	D	96.1	Very high	95.6	Very high	93 Å²	93	45.1 Å²	45.1	50%	0.497	23%	0.228	S	C	.	.	H	α-helix	trans	-63	-40.3	177.6	-75.5	-10.9	0	0	0	111.6	E476 N484	E476-D480 PolarHBondContact O-N 2.93Å; E476-D480 VanDerWaalsContact O-N 3.09Å; D480-N484 WeakPolarHBondContact O-CB 3.23Å; D480-N484 VanDerWaalsContact O-CG 3.3Å; D480-N484 PolarHBondContact O-N 2.96Å; D480-N484 PolarHBondContact O-ND2 3.1Å
481	L	98	Very high	95.4	Very high	9 Å²	9	49 Å²	49	5%	0.047	25%	0.245	C	C	.	.	H	α-helix	trans	-63.5	-41.5	177.4	178.2	68.2	0	0	0	111.8	L468 L470 I477 D478 A479 L485 W601 A604 Y605 R608	L468-L481 HydrophobicContact CD1-CD2 4.32Å; L470-L481 HydrophobicContact CD1-CD2 4.32Å; I477-L481 VanDerWaalsContact O-CB 3.25Å; I477-L481 WeakPolarHBondContact O-CB 3.4Å; I477-L481 PolarHBondContact O-N 2.98Å; D478-L481 PolarHBondContact O-N 3.41Å; A479-L481 VanDerWaalsContact C-N 3.33Å; A479-L481 PolarHBondContact O-N 2.96Å; L481-L485 PolarHBondContact O-N 3.45Å; L481-W601 HydrophobicContact CD1-CZ2 4.16Å; L481-W601 HydrophobicContact CG-CZ2 4.39Å; L481-W601 PolarHBondContact O-NE1 3.06Å; L481-A604 HydrophobicContact CD1-CB 4.17Å; L481-Y605 HydrophobicContact CD2-CD2 4.03Å; L481-R608 HydrophobicContact CD2-CB 4.15Å; L481-R608 HydrophobicContact CD2-CG 4.02Å
482	I	97.9	Very high	95.5	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.015	23%	0.228	C	C	.	.	H	α-helix	trans	-68.9	-44.1	178	-69.4	159.1	0	0	0	111	Y460 L461 M464 L468 D478 A479 N484 L485 F486	Y460-I482 HydrophobicContact CE1-CG2 3.96Å; L461-I482 HydrophobicContact CD2-CD1 3.68Å; M464-I482 HydrophobicContact CB-CD1 3.39Å; M464-I482 HydrophobicContact CB-CG1 4.01Å; M464-I482 HydrophobicContact CE-CG1 4.44Å; M464-I482 HydrophobicContact CE-CG2 4Å; M464-I482 HydrophobicContact CG-CD1 4.19Å; M464-I482 HydrophobicContact CG-CG2 4.29Å; L468-I482 HydrophobicContact CD1-CG1 3.79Å; D478-I482 WeakPolarHBondContact O-CB 3.38Å; D478-I482 VanDerWaalsContact O-CD1 3.27Å; D478-I482 WeakPolarHBondContact O-CD1 3.43Å; D478-I482 WeakPolarHBondContact O-CG1 3.49Å; D478-I482 PolarHBondContact O-N 3.32Å; A479-I482 PolarHBondContact O-N 3.34Å; I482-N484 VanDerWaalsContact C-N 3.31Å; I482-N484 PolarHBondContact O-N 3.09Å; I482-L485 WeakPolarHBondContact O-CB 3.27Å; I482-L485 PolarHBondContact O-N 3.5Å; I482-F486 HydrophobicContact CG2-CD2 3.88Å; I482-F486 HydrophobicContact CG2-CE2 3.67Å; I482-F486 VanDerWaalsContact O-CD2 3.27Å; I482-F486 WeakPolarHBondContact O-CD2 3.49Å; I482-F486 PolarHBondContact O-N 2.78Å
483	E	93.6	Very high	95.5	Very high	23 Å²	23	41.9 Å²	41.9	11%	0.107	22%	0.216	C	C	.	.	H	α-helix	trans	-59.5	-45.1	175.6	-178.8	175.5	171.7	0	0	110.6	L18 F19 A479 L485 F486 N487	L18-E483 HydrophobicContact CB-CG 4.49Å; L18-E483 HydrophobicContact CD1-CG 4.49Å; F19-E483 WeakPolarHBondContact CD2-OE2 3.13Å; A479-E483 PolarHBondContact O-N 3.47Å; E483-L485 VanDerWaalsContact C-N 3.3Å; E483-L485 PolarHBondContact O-N 3.21Å; E483-F486 PolarHBondContact O-N 2.8Å; E483-N487 WeakPolarHBondContact O-CB 3.31Å; E483-N487 PolarHBondContact O-N 3.01Å; E483-N487 PolarHBondContact O-ND2 2.86Å
484	N	96.8	Very high	95.5	Very high	88 Å²	88	38 Å²	38	47%	0.471	19%	0.19	S	C	.	.	H	α-helix	trans	-66.7	-29.7	177.4	-74	-50.3	0	0	0	113.3	D480 I482 T488	D480-N484 WeakPolarHBondContact O-CB 3.23Å; D480-N484 VanDerWaalsContact O-CG 3.3Å; D480-N484 PolarHBondContact O-N 2.96Å; D480-N484 PolarHBondContact O-ND2 3.1Å; I482-N484 VanDerWaalsContact C-N 3.31Å; I482-N484 PolarHBondContact O-N 3.09Å; N484-T488 WeakPolarHBondContact O-CB 3.44Å; N484-T488 PolarHBondContact O-N 2.68Å; N484-T488 PolarHBondContact O-OG1 3.13Å
485	L	98	Very high	95.6	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-60.3	-56.6	172.5	172.6	61.9	0	0	0	109.8	L468 L481 I482 E483 N487 T488 M489 T499 F500 W598 W601	L468-L485 HydrophobicContact CD2-CD2 4.02Å; L481-L485 PolarHBondContact O-N 3.45Å; I482-L485 WeakPolarHBondContact O-CB 3.27Å; I482-L485 PolarHBondContact O-N 3.5Å; E483-L485 VanDerWaalsContact C-N 3.3Å; E483-L485 PolarHBondContact O-N 3.21Å; L485-N487 PolarHBondContact O-N 3.44Å; L485-T488 CarbonylContact O-C 3.59Å; L485-T488 WeakPolarHBondContact O-CA 3.26Å; L485-T488 WeakPolarHBondContact O-CB 3.41Å; L485-T488 PolarHBondContact O-N 2.78Å; L485-M489 HydrophobicContact CD1-CG 4.18Å; L485-M489 HydrophobicContact CD1-SD 3.98Å; L485-M489 HydrophobicContact CD2-SD 4.44Å; L485-M489 HydrophobicContact CG-CG 4.45Å; L485-M489 HydrophobicContact CG-SD 3.81Å; L485-M489 WeakPolarHBondContact O-CG 3.46Å; L485-M489 PolarHBondContact O-N 3.03Å; L485-T499 HydrophobicContact CD1-CG2 4.28Å; L485-F500 HydrophobicContact CD2-CE1 3.93Å; L485-F500 HydrophobicContact CD2-CZ 4.08Å; L485-W598 HydrophobicContact CD1-CH2 3.65Å; L485-W598 HydrophobicContact CD1-CZ3 3.67Å; L485-W601 VanDerWaalsContact CA-NE1 3.32Å; L485-W601 HydrophobicContact CB-CZ2 3.9Å; L485-W601 HydrophobicContact CD1-CD2 4.25Å; L485-W601 HydrophobicContact CD1-CH2 4.09Å; L485-W601 HydrophobicContact CD1-CZ2 3.74Å; L485-W601 HydrophobicContact CD1-CZ3 4.49Å; L485-W601 HydrophobicContact CD2-CZ2 4.2Å; L485-W601 HydrophobicContact CG-CZ2 4.15Å
486	F	96.3	Very high	95.8	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.9	-40.3	-177.8	-74.5	-60.6	0	0	0	112.4	F381 W383 Y460 M464 I482 E483 T488 M489 E490 F496 F500	F381-F486 HydrophobicContact CD1-CD1 4.25Å; F381-F486 WeakPolarHBondContact CD1-O 3.19Å; F381-F486 AromaticContact CD2-CD1 3.95Å; F381-F486 HydrophobicContact CD2-CD1 3.95Å; F381-F486 HydrophobicContact CD2-CE1 4.34Å; F381-F486 HydrophobicContact CE1-CB 3.67Å; F381-F486 AromaticContact CE1-CD1 3.85Å; F381-F486 HydrophobicContact CE1-CD1 3.85Å; F381-F486 HydrophobicContact CE1-CG 4.2Å; F381-F486 WeakPolarHBondContact CE1-O 3.29Å; F381-F486 AromaticContact CE2-CD1 3.46Å; F381-F486 HydrophobicContact CE2-CD1 3.46Å; F381-F486 VanDerWaalsContact CE2-CD1 3.46Å; F381-F486 AromaticContact CE2-CE1 3.99Å; F381-F486 HydrophobicContact CE2-CE1 3.99Å; F381-F486 HydrophobicContact CE2-CG 4.25Å; F381-F486 HydrophobicContact CG-CD1 4.29Å; F381-F486 HydrophobicContact CZ-CB 3.64Å; F381-F486 AromaticContact CZ-CD1 3.4Å; F381-F486 HydrophobicContact CZ-CD1 3.4Å; F381-F486 VanDerWaalsContact CZ-CD1 3.4Å; F381-F486 HydrophobicContact CZ-CE1 4.35Å; F381-F486 AromaticContact CZ-CG 3.79Å; F381-F486 HydrophobicContact CZ-CG 3.79Å; W383-F486 HydrophobicContact CH2-CB 3.86Å; W383-F486 HydrophobicContact CH2-CD2 4.07Å; W383-F486 HydrophobicContact CH2-CG 4Å; W383-F486 HydrophobicContact CZ2-CB 3.33Å; W383-F486 HydrophobicContact CZ2-CD2 4.35Å; W383-F486 HydrophobicContact CZ2-CG 4.01Å; Y460-F486 WeakPolarHBondContact OH-CE2 3.29Å; M464-F486 HydrophobicContact CE-CE2 3.76Å; M464-F486 HydrophobicContact CE-CZ 3.81Å; M464-F486 HydrophobicContact SD-CE2 4.44Å; M464-F486 HydrophobicContact SD-CZ 4.33Å; I482-F486 HydrophobicContact CG2-CD2 3.88Å; I482-F486 HydrophobicContact CG2-CE2 3.67Å; I482-F486 VanDerWaalsContact O-CD2 3.27Å; I482-F486 WeakPolarHBondContact O-CD2 3.49Å; I482-F486 PolarHBondContact O-N 2.78Å; E483-F486 PolarHBondContact O-N 2.8Å; F486-T488 PolarHBondContact O-N 3.39Å; F486-M489 HydrophobicContact CD1-SD 3.8Å; F486-M489 HydrophobicContact CE1-CE 4.48Å; F486-M489 HydrophobicContact CE1-SD 4.03Å; F486-M489 PolarHBondContact O-N 3.4Å; F486-E490 PolarHBondContact O-N 3.01Å; F486-F496 HydrophobicContact CD1-CE2 4.44Å; F486-F496 HydrophobicContact CE1-CD2 4.2Å; F486-F496 AromaticContact CE1-CE2 3.47Å; F486-F496 HydrophobicContact CE1-CE2 3.47Å; F486-F496 VanDerWaalsContact CE1-CE2 3.47Å; F486-F496 HydrophobicContact CE1-CZ 4.09Å; F486-F496 HydrophobicContact CZ-CE2 4.13Å; F486-F496 HydrophobicContact CZ-CZ 4.34Å; F486-F500 HydrophobicContact CZ-CZ 4.4Å
487	N	93.6	Very high	96	Very high	31 Å²	31	23.3 Å²	23.3	17%	0.166	12%	0.121	C	C	.	.	H	α-helix	trans	-61.6	-32.5	173.3	-69.8	-20.4	0	0	0	112.5	W383 E483 L485 K491	W383-N487 PolarHBondContact NE1-OD1 3.36Å; E483-N487 WeakPolarHBondContact O-CB 3.31Å; E483-N487 PolarHBondContact O-N 3.01Å; E483-N487 PolarHBondContact O-ND2 2.86Å; L485-N487 PolarHBondContact O-N 3.44Å; N487-K491 WeakPolarHBondContact O-CB 3.36Å; N487-K491 WeakPolarHBondContact O-CD 3.48Å; N487-K491 WeakPolarHBondContact O-CG 3.39Å; N487-K491 PolarHBondContact O-N 2.74Å
488	T	96.8	Very high	96	Very high	14 Å²	14	19.3 Å²	19.3	9%	0.086	10%	0.1	C	C	.	.	H	α-helix	trans	-73.8	-42.4	174.7	-57.7	0	0	0	0	110.7	N484 L485 F486 E490 K491 T492 L597 W598	N484-T488 WeakPolarHBondContact O-CB 3.44Å; N484-T488 PolarHBondContact O-N 2.68Å; N484-T488 PolarHBondContact O-OG1 3.13Å; L485-T488 CarbonylContact O-C 3.59Å; L485-T488 WeakPolarHBondContact O-CA 3.26Å; L485-T488 WeakPolarHBondContact O-CB 3.41Å; L485-T488 PolarHBondContact O-N 2.78Å; F486-T488 PolarHBondContact O-N 3.39Å; T488-E490 PolarHBondContact O-N 3.48Å; T488-K491 PolarHBondContact O-N 3.34Å; T488-T492 HydrophobicContact CG2-CG2 4.36Å; T488-T492 WeakPolarHBondContact O-CB 3.25Å; T488-T492 VanDerWaalsContact O-CG2 3.3Å; T488-T492 WeakPolarHBondContact O-CG2 3.47Å; T488-T492 PolarHBondContact O-N 3.39Å; T488-T492 PolarHBondContact O-OG1 3.47Å; T488-L597 HydrophobicContact CG2-CB 4.15Å; T488-W598 HydrophobicContact CG2-CD2 3.73Å; T488-W598 HydrophobicContact CG2-CE3 4.03Å; T488-W598 HydrophobicContact CG2-CG 4.18Å; T488-W598 HydrophobicContact CG2-CH2 4.31Å; T488-W598 HydrophobicContact CG2-CZ2 4.04Å; T488-W598 HydrophobicContact CG2-CZ3 4.3Å
489	M	97	Very high	96	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.8	-44.9	175.3	-66.8	169.3	70.7	0	0	111.5	F381 L485 F486 T492 G493 A494 F496 T499 W598	F381-M489 HydrophobicContact CB-CB 4.01Å; F381-M489 HydrophobicContact CB-CE 3.91Å; F381-M489 HydrophobicContact CD1-CB 3.71Å; F381-M489 HydrophobicContact CG-CB 4.11Å; F381-M489 HydrophobicContact CG-CE 4.27Å; L485-M489 HydrophobicContact CD1-CG 4.18Å; L485-M489 HydrophobicContact CD1-SD 3.98Å; L485-M489 HydrophobicContact CD2-SD 4.44Å; L485-M489 HydrophobicContact CG-CG 4.45Å; L485-M489 HydrophobicContact CG-SD 3.81Å; L485-M489 WeakPolarHBondContact O-CG 3.46Å; L485-M489 PolarHBondContact O-N 3.03Å; F486-M489 HydrophobicContact CD1-SD 3.8Å; F486-M489 HydrophobicContact CE1-CE 4.48Å; F486-M489 HydrophobicContact CE1-SD 4.03Å; F486-M489 PolarHBondContact O-N 3.4Å; M489-T492 CarbonylContact O-C 3.55Å; M489-T492 PolarHBondContact O-N 3.04Å; M489-T492 PolarHBondContact O-OG1 3.42Å; M489-G493 WeakPolarHBondContact O-CA 3.48Å; M489-G493 PolarHBondContact O-N 2.93Å; M489-A494 HydrophobicContact CB-CB 4.07Å; M489-A494 HydrophobicContact CG-CB 4.09Å; M489-A494 PolarHBondContact O-N 3.03Å; M489-F496 HydrophobicContact CE-CB 4.36Å; M489-F496 HydrophobicContact CE-CD2 4.1Å; M489-F496 HydrophobicContact CE-CG 4.37Å; M489-T499 HydrophobicContact CE-CG2 4.22Å; M489-T499 HydrophobicContact CG-CG2 4.18Å; M489-T499 HydrophobicContact SD-CG2 4.09Å; M489-W598 HydrophobicContact CG-CH2 3.77Å; M489-W598 HydrophobicContact CG-CZ2 3.97Å
490	E	93.4	Very high	96.1	Very high	16 Å²	16	19 Å²	19	8%	0.075	10%	0.097	C	C	.	.	H	α-helix	trans	-65.8	-45.1	179.1	-178	174.1	-110.4	0	0	111.7	F381 W383 F486 T488 T492 G493 F538	F381-E490 HydrophobicContact CD1-CB 3.92Å; F381-E490 HydrophobicContact CE1-CB 3.99Å; W383-E490 PolarHBondContact N-OE1 3.5Å; F486-E490 PolarHBondContact O-N 3.01Å; T488-E490 PolarHBondContact O-N 3.48Å; E490-T492 PolarHBondContact O-N 3.26Å; E490-G493 PolarHBondContact O-N 3.05Å; E490-F538 HydrophobicContact CG-CE1 4.4Å; E490-F538 HydrophobicContact CG-CZ 3.98Å
491	K	93	Very high	96	Very high	91 Å²	91	15 Å²	15	40%	0.396	8%	0.076	S	C	.	.	H	α-helix	trans	-64	-24.4	178.2	-75.4	172	-173.9	171.5	0	113.9	N487 T488 L534 L597	N487-K491 WeakPolarHBondContact O-CB 3.36Å; N487-K491 WeakPolarHBondContact O-CD 3.48Å; N487-K491 WeakPolarHBondContact O-CG 3.39Å; N487-K491 PolarHBondContact O-N 2.74Å; T488-K491 PolarHBondContact O-N 3.34Å; K491-L534 WeakPolarHBondContact O-CD2 3.3Å; K491-L597 HydrophobicContact CB-CD1 4.15Å
492	T	95.4	Very high	95.9	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-108.5	-3.5	-177.1	61.1	0	0	0	0	112.6	T488 M489 E490 A494 C528 Y590 N594 L597 W598	T488-T492 HydrophobicContact CG2-CG2 4.36Å; T488-T492 WeakPolarHBondContact O-CB 3.25Å; T488-T492 VanDerWaalsContact O-CG2 3.3Å; T488-T492 WeakPolarHBondContact O-CG2 3.47Å; T488-T492 PolarHBondContact O-N 3.39Å; T488-T492 PolarHBondContact O-OG1 3.47Å; M489-T492 CarbonylContact O-C 3.55Å; M489-T492 PolarHBondContact O-N 3.04Å; M489-T492 PolarHBondContact O-OG1 3.42Å; E490-T492 PolarHBondContact O-N 3.26Å; T492-A494 VanDerWaalsContact C-N 3.25Å; T492-A494 PolarHBondContact O-N 2.91Å; T492-C528 WeakPolarHBondContact O-CB 3.3Å; T492-Y590 PolarHBondContact O-OH 2.99Å; T492-N594 HydrophobicContact CG2-CB 4.09Å; T492-N594 WeakPolarHBondContact CG2-OD1 3.44Å; T492-L597 HydrophobicContact CG2-CB 4.33Å; T492-L597 HydrophobicContact CG2-CD1 3.83Å; T492-W598 PolarHBondContact OG1-NE1 2.85Å
493	G	94.2	Very high	95.8	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.01	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	40.6	-173.4	0	0	0	0	0	113.2	M489 E490 C529	M489-G493 WeakPolarHBondContact O-CA 3.48Å; M489-G493 PolarHBondContact O-N 2.93Å; E490-G493 PolarHBondContact O-N 3.05Å; G493-C529 WeakPolarHBondContact O-CB 3.44Å; G493-C529 PolarHBondContact O-N 3.3Å
494	A	96.7	Very high	95.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.07	C	C	.	.	B	Isolated β-bridge	trans	-70.5	141.4	-180	0	0	0	0	0	111.9	F381 M489 T492 F496 T499 W598	F381-A494 PolarHBondContact N-O 3.42Å; M489-A494 HydrophobicContact CB-CB 4.07Å; M489-A494 HydrophobicContact CG-CB 4.09Å; M489-A494 PolarHBondContact O-N 3.03Å; T492-A494 VanDerWaalsContact C-N 3.25Å; T492-A494 PolarHBondContact O-N 2.91Å; A494-F496 PolarHBondContact O-N 3.42Å; A494-T499 WeakPolarHBondContact CB-OG1 2.96Å; A494-W598 HydrophobicContact CB-CZ2 3.89Å
495	D	96.5	Very high	95.5	Very high	12 Å²	12	10.8 Å²	10.8	6%	0.064	5%	0.054	C	C	.	.	B	Isolated β-bridge	trans	-65.1	129.9	172.5	-179.1	-79.2	0	0	0	110.6	D379 T497 N498 T499 E527 R641	D379-D495 CarbonylContact O-C 3.58Å; D379-D495 VanDerWaalsContact O-CA 3.25Å; D379-D495 WeakPolarHBondContact O-CA 3.5Å; D495-T497 PolarHBondContact OD1-N 3.42Å; D495-N498 HydrophobicContact CB-CB 4Å; D495-N498 VanDerWaalsContact OD1-CB 3.26Å; D495-N498 WeakPolarHBondContact OD1-CB 3.37Å; D495-N498 PolarHBondContact OD1-N 2.78Å; D495-T499 WeakPolarHBondContact O-CB 3.37Å; D495-T499 PolarHBondContact O-N 3.31Å; D495-T499 PolarHBondContact O-OG1 3.04Å; D495-E527 PolarHBondContact N-O 2.95Å; D495-R641 VanDerWaalsContact CG-NH2 3.32Å; D495-R641 IonicContact OD1-CZ 3.06Å; D495-R641 IonicContact OD1-NH1 2.87Å; D495-R641 IonicContact OD1-NH2 3.65Å; D495-R641 PolarHBondContact OD1-NH2 3.19Å; D495-R641 IonicContact OD2-CZ 3.92Å; D495-R641 VanDerWaalsContact OD2-CZ 3.31Å; D495-R641 IonicContact OD2-NH1 3.18Å; D495-R641 PolarHBondContact OD2-NH1 2.83Å; D495-R641 IonicContact OD2-NH2 3.62Å; D495-R641 PolarHBondContact OD2-NH2 3.4Å
496	F	96.9	Very high	95.2	Very high	1 Å²	1	10.9 Å²	10.9	0%	0.004	5%	0.054	C	C	.	.	H	α-helix	trans	-59.4	-58.2	-172.4	-173.4	-81.1	0	0	0	112	G352 M378 D379 F381 F486 M489 A494 F500	G352-F496 VanDerWaalsContact N-CE1 3.27Å; G352-F496 VanDerWaalsContact N-CZ 3.28Å; M378-F496 HydrophobicContact CB-CB 4.24Å; M378-F496 HydrophobicContact CE-CD2 3.85Å; M378-F496 HydrophobicContact CE-CE2 3.92Å; D379-F496 PolarHBondContact O-N 3.45Å; F381-F496 HydrophobicContact CB-CD2 4.41Å; F381-F496 AromaticContact CD2-CD2 3.67Å; F381-F496 HydrophobicContact CD2-CD2 3.67Å; F381-F496 HydrophobicContact CD2-CE2 4.05Å; F381-F496 HydrophobicContact CE2-CD2 4.42Å; F381-F496 HydrophobicContact CE2-CE2 4.37Å; F381-F496 HydrophobicContact CG-CD2 4.41Å; F486-F496 HydrophobicContact CD1-CE2 4.44Å; F486-F496 HydrophobicContact CE1-CD2 4.2Å; F486-F496 AromaticContact CE1-CE2 3.47Å; F486-F496 HydrophobicContact CE1-CE2 3.47Å; F486-F496 VanDerWaalsContact CE1-CE2 3.47Å; F486-F496 HydrophobicContact CE1-CZ 4.09Å; F486-F496 HydrophobicContact CZ-CE2 4.13Å; F486-F496 HydrophobicContact CZ-CZ 4.34Å; M489-F496 HydrophobicContact CE-CB 4.36Å; M489-F496 HydrophobicContact CE-CD2 4.1Å; M489-F496 HydrophobicContact CE-CG 4.37Å; A494-F496 PolarHBondContact O-N 3.42Å; F496-F500 HydrophobicContact CD1-CE2 4.2Å; F496-F500 HydrophobicContact CE1-CD2 4.43Å; F496-F500 AromaticContact CE1-CE2 3.81Å; F496-F500 HydrophobicContact CE1-CE2 3.81Å; F496-F500 HydrophobicContact CZ-CE2 4.12Å; F496-F500 WeakPolarHBondContact O-CD2 3.5Å
497	T	96.7	Very high	94.9	Very high	7 Å²	7	10.9 Å²	10.9	4%	0.043	5%	0.054	C	C	.	.	H	α-helix	trans	-70.7	-46	-174.9	-64	0	0	0	0	110.7	D495 T499 F500 L501 P636 V639	D495-T497 PolarHBondContact OD1-N 3.42Å; T497-T499 VanDerWaalsContact C-N 3.27Å; T497-T499 PolarHBondContact O-N 3.28Å; T497-F500 PolarHBondContact O-N 2.81Å; T497-L501 HydrophobicContact CG2-CD1 4.43Å; T497-L501 PolarHBondContact O-N 2.74Å; T497-P636 WeakPolarHBondContact CG2-O 3.49Å; T497-V639 HydrophobicContact CG2-CG1 4.36Å
498	N	96	Very high	94.6	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.005	6%	0.061	C	C	.	.	H	α-helix	trans	-69.5	-24.7	-175.2	-62.7	-12.3	0	0	0	112.3	D495 F500 L501 A502 E527 R641 K690 Y691	D495-N498 HydrophobicContact CB-CB 4Å; D495-N498 VanDerWaalsContact OD1-CB 3.26Å; D495-N498 WeakPolarHBondContact OD1-CB 3.37Å; D495-N498 PolarHBondContact OD1-N 2.78Å; N498-F500 VanDerWaalsContact C-N 3.35Å; N498-F500 PolarHBondContact O-N 2.86Å; N498-L501 PolarHBondContact O-N 3.1Å; N498-A502 VanDerWaalsContact O-CB 3.28Å; N498-A502 WeakPolarHBondContact O-CB 3.37Å; N498-A502 PolarHBondContact O-N 3.19Å; N498-E527 HydrophobicContact CB-CB 4.23Å; N498-E527 HydrophobicContact CB-CG 3.91Å; N498-E527 WeakPolarHBondContact CB-OE2 3.01Å; N498-E527 PolarHBondContact ND2-OE2 2.96Å; N498-R641 PolarHBondContact OD1-NH2 3.17Å; N498-K690 HydrophobicContact CB-CD 4.23Å; N498-Y691 PolarHBondContact ND2-O 2.81Å
499	T	97.5	Very high	94	Very high	3 Å²	3	15 Å²	15	2%	0.018	7%	0.07	C	C	.	.	H	α-helix	trans	-59	-44.9	172.2	-67.3	0	0	0	0	111.5	L485 M489 A494 D495 T497 A502 L503 I524 W598	L485-T499 HydrophobicContact CD1-CG2 4.28Å; M489-T499 HydrophobicContact CE-CG2 4.22Å; M489-T499 HydrophobicContact CG-CG2 4.18Å; M489-T499 HydrophobicContact SD-CG2 4.09Å; A494-T499 WeakPolarHBondContact CB-OG1 2.96Å; D495-T499 WeakPolarHBondContact O-CB 3.37Å; D495-T499 PolarHBondContact O-N 3.31Å; D495-T499 PolarHBondContact O-OG1 3.04Å; T497-T499 VanDerWaalsContact C-N 3.27Å; T497-T499 PolarHBondContact O-N 3.28Å; T499-A502 PolarHBondContact O-N 2.97Å; T499-L503 PolarHBondContact O-N 2.97Å; T499-I524 HydrophobicContact CG2-CG2 4.27Å; T499-W598 HydrophobicContact CG2-CH2 3.6Å; T499-W598 HydrophobicContact CG2-CZ2 4.25Å; T499-W598 HydrophobicContact CG2-CZ3 4.37Å
500	F	97.2	Very high	93.1	Very high	3 Å²	3	16.6 Å²	16.6	1%	0.013	8%	0.079	C	C	.	.	H	α-helix	trans	-67	-38	177.6	-67.1	-76.3	0	0	0	111.9	M464 K467 L468 L485 F486 F496 T497 N498 L503 E504 N635	M464-F500 HydrophobicContact CE-CE1 3.93Å; M464-F500 HydrophobicContact CE-CZ 3.82Å; K467-F500 HydrophobicContact CB-CD1 4.03Å; K467-F500 HydrophobicContact CB-CE1 4.06Å; K467-F500 VanDerWaalsContact CE-CE1 3.45Å; K467-F500 VanDerWaalsContact CE-CE2 3.46Å; L468-F500 HydrophobicContact CD2-CE1 4.36Å; L485-F500 HydrophobicContact CD2-CE1 3.93Å; L485-F500 HydrophobicContact CD2-CZ 4.08Å; F486-F500 HydrophobicContact CZ-CZ 4.4Å; F496-F500 HydrophobicContact CD1-CE2 4.2Å; F496-F500 HydrophobicContact CE1-CD2 4.43Å; F496-F500 AromaticContact CE1-CE2 3.81Å; F496-F500 HydrophobicContact CE1-CE2 3.81Å; F496-F500 HydrophobicContact CZ-CE2 4.12Å; F496-F500 WeakPolarHBondContact O-CD2 3.5Å; T497-F500 PolarHBondContact O-N 2.81Å; N498-F500 VanDerWaalsContact C-N 3.35Å; N498-F500 PolarHBondContact O-N 2.86Å; F500-L503 WeakPolarHBondContact O-CB 3.37Å; F500-L503 PolarHBondContact O-N 3.37Å; F500-E504 PolarHBondContact O-N 3.5Å; F500-N635 HydrophobicContact CB-CB 4.41Å
501	L	95.4	Very high	92.2	Very high	11 Å²	11	17.9 Å²	17.9	6%	0.058	8%	0.084	C	C	.	.	H	α-helix	trans	-66.8	-40.1	174.9	-58	177.7	0	0	0	111.8	T497 N498 L503 E504 D505 N635 R637 K690	T497-L501 HydrophobicContact CG2-CD1 4.43Å; T497-L501 PolarHBondContact O-N 2.74Å; N498-L501 PolarHBondContact O-N 3.1Å; L501-L503 VanDerWaalsContact C-N 3.29Å; L501-L503 PolarHBondContact O-N 2.87Å; L501-E504 WeakPolarHBondContact O-CB 3.24Å; L501-E504 PolarHBondContact O-N 3.31Å; L501-D505 PolarHBondContact O-N 3.44Å; L501-N635 HydrophobicContact CD2-CB 4.42Å; L501-R637 HydrophobicContact CD2-CG 4.14Å; L501-K690 HydrophobicContact CD1-CG 4.2Å
502	A	94.7	Very high	91.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-64.1	-35.9	175.4	0	0	0	0	0	111.7	N498 T499 E504 D505 T506 I524 E527	N498-A502 VanDerWaalsContact O-CB 3.28Å; N498-A502 WeakPolarHBondContact O-CB 3.37Å; N498-A502 PolarHBondContact O-N 3.19Å; T499-A502 PolarHBondContact O-N 2.97Å; A502-E504 VanDerWaalsContact C-N 3.31Å; A502-E504 PolarHBondContact O-N 3.08Å; A502-D505 WeakPolarHBondContact O-CB 3.34Å; A502-D505 PolarHBondContact O-N 3.32Å; A502-T506 PolarHBondContact O-N 3.14Å; A502-T506 PolarHBondContact O-OG1 3.45Å; A502-T506 VanDerWaalsContact O-OG1 3.07Å; A502-I524 HydrophobicContact CB-CB 4.4Å; A502-I524 HydrophobicContact CB-CG1 3.92Å; A502-E527 HydrophobicContact CB-CG 3.87Å
503	L	95.9	Very high	89.9	Confident	5 Å²	5	22.7 Å²	22.7	3%	0.026	11%	0.111	C	C	.	.	H	α-helix	trans	-62.5	-38.9	173.4	-173.4	62.6	0	0	0	111.9	L468 T499 F500 L501 T506 L507 I524 W601 L602 Y605 M631	L468-L503 HydrophobicContact CD2-CD2 3.67Å; T499-L503 PolarHBondContact O-N 2.97Å; F500-L503 WeakPolarHBondContact O-CB 3.37Å; F500-L503 PolarHBondContact O-N 3.37Å; L501-L503 VanDerWaalsContact C-N 3.29Å; L501-L503 PolarHBondContact O-N 2.87Å; L503-T506 PolarHBondContact O-N 2.82Å; L503-L507 WeakPolarHBondContact O-CG 3.45Å; L503-L507 PolarHBondContact O-N 3.34Å; L503-I524 HydrophobicContact CD1-CD1 4.21Å; L503-W601 HydrophobicContact CD1-CH2 4.2Å; L503-W601 HydrophobicContact CD1-CZ3 3.89Å; L503-W601 HydrophobicContact CD2-CH2 3.99Å; L503-W601 HydrophobicContact CD2-CZ3 4.49Å; L503-L602 HydrophobicContact CD1-CD2 4.08Å; L503-Y605 HydrophobicContact CD1-CD1 4.08Å; L503-Y605 HydrophobicContact CD1-CE1 3.74Å; L503-Y605 HydrophobicContact CD2-CE1 4.39Å; L503-Y605 HydrophobicContact CG-CE1 4.34Å; L503-M631 HydrophobicContact CB-CE 4.27Å; L503-M631 HydrophobicContact CD2-CE 3.92Å; L503-M631 HydrophobicContact CG-CE 3.93Å
504	E	93.9	Very high	88.1	Confident	3 Å²	3	30 Å²	30	1%	0.014	15%	0.15	C	C	.	.	H	α-helix	trans	-63.8	-41.1	172.1	-65.7	175.3	-160.7	0	0	112	F500 L501 A502 L507 F508 L628 M631 Q632 N635	F500-E504 PolarHBondContact O-N 3.5Å; L501-E504 WeakPolarHBondContact O-CB 3.24Å; L501-E504 PolarHBondContact O-N 3.31Å; A502-E504 VanDerWaalsContact C-N 3.31Å; A502-E504 PolarHBondContact O-N 3.08Å; E504-L507 PolarHBondContact O-N 3.2Å; E504-F508 WeakPolarHBondContact O-CB 3.49Å; E504-F508 PolarHBondContact O-N 3.25Å; E504-L628 HydrophobicContact CB-CD2 4.14Å; E504-L628 WeakPolarHBondContact O-CD2 3.29Å; E504-M631 HydrophobicContact CG-CB 3.83Å; E504-M631 HydrophobicContact CG-CE 3.58Å; E504-M631 HydrophobicContact CG-SD 4.25Å; E504-Q632 VanDerWaalsContact OE2-CG 3.28Å; E504-Q632 WeakPolarHBondContact OE2-CG 3.34Å; E504-N635 WeakPolarHBondContact OE1-CB 3.22Å; E504-N635 PolarHBondContact OE1-ND2 3.38Å
505	D	90.8	Very high	85.9	Confident	26 Å²	26	37.5 Å²	37.5	14%	0.139	19%	0.19	C	C	.	.	H	α-helix	trans	-62.3	-44.2	176.1	-60.3	-29.4	0	0	0	111.1	L501 A502 L507 F508 Q509 L523 R688 K690	L501-D505 PolarHBondContact O-N 3.44Å; A502-D505 WeakPolarHBondContact O-CB 3.34Å; A502-D505 PolarHBondContact O-N 3.32Å; D505-L507 PolarHBondContact O-N 2.88Å; D505-F508 PolarHBondContact O-N 2.65Å; D505-F508 VanDerWaalsContact O-N 3.17Å; D505-Q509 PolarHBondContact O-N 3.12Å; D505-L523 HydrophobicContact CB-CD1 3.69Å; D505-R688 WeakPolarHBondContact OD1-CD 3.48Å; D505-R688 IonicContact OD1-CZ 3.66Å; D505-R688 IonicContact OD1-NE 2.89Å; D505-R688 IonicContact OD1-NH1 3.25Å; D505-R688 PolarHBondContact OD1-NH1 3.05Å; D505-K690 WeakPolarHBondContact OD2-CE 2.75Å; D505-K690 IonicContact OD2-NZ 3.69Å; D505-K690 PolarHBondContact OD2-NZ 2.97Å
506	T	91.5	Very high	84.1	Confident	3 Å²	3	38.7 Å²	38.7	2%	0.018	20%	0.199	C	C	.	.	H	α-helix	trans	-61.4	-42	176.5	-58.8	0	0	0	0	111.6	A502 L503 F508 Q509 L510 L519 E520	A502-T506 PolarHBondContact O-N 3.14Å; A502-T506 PolarHBondContact O-OG1 3.45Å; A502-T506 VanDerWaalsContact O-OG1 3.07Å; L503-T506 PolarHBondContact O-N 2.82Å; T506-F508 VanDerWaalsContact C-N 3.35Å; T506-Q509 PolarHBondContact O-N 3.36Å; T506-L510 PolarHBondContact O-N 3.46Å; T506-L519 HydrophobicContact CG2-CB 4.08Å; T506-L519 HydrophobicContact CG2-CD2 3.96Å; T506-E520 WeakPolarHBondContact CG2-O 3.25Å
507	L	89.9	Confident	82.7	Confident	1 Å²	1	44 Å²	44	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-68.2	-33.6	174.6	-73.5	173.2	0	0	0	112.7	L503 E504 D505 Q509 L510 F511 L519 Y605 L609 L628 M631	L503-L507 WeakPolarHBondContact O-CG 3.45Å; L503-L507 PolarHBondContact O-N 3.34Å; E504-L507 PolarHBondContact O-N 3.2Å; D505-L507 PolarHBondContact O-N 2.88Å; L507-Q509 VanDerWaalsContact C-N 3.35Å; L507-L510 WeakPolarHBondContact O-CB 3.47Å; L507-L510 PolarHBondContact O-N 3.31Å; L507-F511 PolarHBondContact O-N 2.93Å; L507-F511 VanDerWaalsContact O-N 3.14Å; L507-L519 HydrophobicContact CD2-CD2 4.2Å; L507-Y605 HydrophobicContact CD2-CE1 4.21Å; L507-L609 HydrophobicContact CD2-CD1 4Å; L507-L628 HydrophobicContact CB-CD2 3.95Å; L507-M631 HydrophobicContact CD1-CE 3.97Å; L507-M631 HydrophobicContact CD1-SD 3.44Å; L507-M631 WeakPolarHBondContact CD1-SD 3.46Å
508	F	87.3	Confident	81.7	Confident	69 Å²	69	49 Å²	49	30%	0.303	25%	0.253	S	S	.	.	H	α-helix	trans	-69.4	-31.8	176.8	-174.9	-102.8	0	0	0	112.4	E504 D505 T506 F511 N512 L628	E504-F508 WeakPolarHBondContact O-CB 3.49Å; E504-F508 PolarHBondContact O-N 3.25Å; D505-F508 PolarHBondContact O-N 2.65Å; D505-F508 VanDerWaalsContact O-N 3.17Å; T506-F508 VanDerWaalsContact C-N 3.35Å; F508-F511 HydrophobicContact CE2-CD1 4.38Å; F508-F511 WeakPolarHBondContact O-CB 3.08Å; F508-F511 PolarHBondContact O-N 3.39Å; F508-N512 WeakPolarHBondContact CD1-ND2 3.43Å; F508-N512 WeakPolarHBondContact CE1-ND2 3.47Å; F508-N512 WeakPolarHBondContact CZ-ND2 3.3Å; F508-N512 PolarHBondContact O-N 3.28Å; F508-N512 PolarHBondContact O-ND2 3.3Å; F508-L628 HydrophobicContact CB-CD1 4.24Å; F508-L628 HydrophobicContact CD2-CD1 3.91Å
509	Q	83.5	Confident	81.3	Confident	61 Å²	61	49.7 Å²	49.7	29%	0.285	26%	0.257	S	S	.	.	H	α-helix	trans	-62.1	-45	170.1	-74.4	-177.3	-28.8	0	0	111.3	D505 T506 L507 F511 N512 E513 L523	D505-Q509 PolarHBondContact O-N 3.12Å; T506-Q509 PolarHBondContact O-N 3.36Å; L507-Q509 VanDerWaalsContact C-N 3.35Å; Q509-F511 PolarHBondContact O-N 3.04Å; Q509-N512 PolarHBondContact O-N 2.8Å; Q509-E513 PolarHBondContact O-N 3.05Å; Q509-L523 HydrophobicContact CG-CD1 4.26Å
510	L	78	Confident	81	Confident	35 Å²	35	53.1 Å²	53.1	18%	0.183	27%	0.273	C	S	.	.	H	α-helix	trans	-58.4	-31.3	174.6	-161.7	96.8	0	0	0	112.7	T506 L507 S516 L519 I624	T506-L510 PolarHBondContact O-N 3.46Å; L507-L510 WeakPolarHBondContact O-CB 3.47Å; L507-L510 PolarHBondContact O-N 3.31Å; L510-S516 WeakPolarHBondContact CD1-O 3.44Å; L510-L519 HydrophobicContact CB-CD2 4.48Å; L510-L519 HydrophobicContact CD1-CD2 3.99Å; L510-I624 HydrophobicContact CD2-CD1 3.68Å; L510-I624 HydrophobicContact CD2-CG1 4.34Å; L510-I624 HydrophobicContact CG-CD1 4.38Å
511	F	75.4	Confident	80.8	Confident	43 Å²	43	53.2 Å²	53.2	19%	0.189	27%	0.274	C	S	.	.	H	α-helix	trans	-70.5	-31.9	176.4	178.8	-92.7	0	0	0	113.4	L507 F508 Q509 K621 I624	L507-F511 PolarHBondContact O-N 2.93Å; L507-F511 VanDerWaalsContact O-N 3.14Å; F508-F511 HydrophobicContact CE2-CD1 4.38Å; F508-F511 WeakPolarHBondContact O-CB 3.08Å; F508-F511 PolarHBondContact O-N 3.39Å; Q509-F511 PolarHBondContact O-N 3.04Å; F511-K621 HydrophobicContact CD2-CG 3.62Å; F511-K621 HydrophobicContact CE2-CB 4.33Å; F511-K621 HydrophobicContact CE2-CD 4.03Å; F511-K621 HydrophobicContact CE2-CG 3.14Å; F511-K621 WeakPolarHBondContact CE2-O 3.46Å; F511-K621 HydrophobicContact CZ-CD 4.07Å; F511-K621 HydrophobicContact CZ-CG 3.68Å; F511-I624 HydrophobicContact CB-CG2 3.84Å; F511-I624 HydrophobicContact CD2-CB 4.15Å; F511-I624 HydrophobicContact CD2-CG2 4.03Å; F511-I624 HydrophobicContact CG-CG2 4.41Å
512	N	73.9	Confident	80.8	Confident	85 Å²	85	55.8 Å²	55.8	46%	0.455	29%	0.287	S	S	.	.	H	α-helix	trans	-93.4	-33.6	-175.9	-68.8	-43.2	0	0	0	112.9	F508 Q509 N514	F508-N512 WeakPolarHBondContact CD1-ND2 3.43Å; F508-N512 WeakPolarHBondContact CE1-ND2 3.47Å; F508-N512 WeakPolarHBondContact CZ-ND2 3.3Å; F508-N512 PolarHBondContact O-N 3.28Å; F508-N512 PolarHBondContact O-ND2 3.3Å; Q509-N512 PolarHBondContact O-N 2.8Å; N512-N514 PolarHBondContact O-N 2.62Å
513	E	66.4	Low	80.7	Confident	107 Å²	107	57.7 Å²	57.7	50%	0.5	30%	0.297	S	S	.	.			trans	-90.2	100.8	179.8	-66	-178.7	-175.4	0	0	109.4	Q509 D515	Q509-E513 PolarHBondContact O-N 3.05Å; E513-D515 PolarHBondContact O-N 2.7Å
514	N	55.2	Low	80.7	Confident	153 Å²	153	57.5 Å²	57.5	82%	0.818	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-0.6	-176.4	-80.1	-22.5	0	0	0	115.5	N512	N512-N514 PolarHBondContact O-N 2.62Å
515	D	51.8	Low	80.8	Confident	159 Å²	159	58 Å²	58	85%	0.85	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.8	-2.7	-168	-120.1	-19.3	0	0	0	115.9	E513 D517	E513-D515 PolarHBondContact O-N 2.7Å; D515-D517 PolarHBondContact O-N 3.38Å
516	S	57.7	Low	81	Confident	36 Å²	36	61 Å²	61	25%	0.252	32%	0.316	S	S	.	.			trans	-86.7	95.6	173.8	-174.6	0	0	0	0	109.5	L510 L518	L510-S516 WeakPolarHBondContact CD1-O 3.44Å; S516-L518 PolarHBondContact O-N 3.33Å; S516-L518 VanDerWaalsContact O-N 3.07Å; S516-L518 PolarHBondContact OG-N 3.4Å; S516-L518 PolarHBondContact OG-O 3.48Å
517	D	67.7	Low	81.2	Confident	113 Å²	113	61.5 Å²	61.5	60%	0.604	32%	0.318	S	S	*	.			trans	-69.9	5.7	170.4	-140.4	12.9	0	0	0	111.1	D515 K606	D515-D517 PolarHBondContact O-N 3.38Å; D517-K606 VanDerWaalsContact O-CE 3.24Å; D517-K606 WeakPolarHBondContact O-CE 3.23Å; D517-K606 PolarHBondContact O-NZ 3.36Å; D517-K606 IonicContact OD1-NZ 2.66Å; D517-K606 PolarHBondContact OD1-NZ 3.32Å; D517-K606 IonicContact OD2-NZ 2.76Å; D517-K606 PolarHBondContact OD2-NZ 3.37Å
518	L	75.8	Confident	81.4	Confident	112 Å²	112	62.3 Å²	62.3	59%	0.586	32%	0.324	S	S	*	.			trans	-106.7	129.9	-179.3	-127.4	81.3	0	0	0	111.9	S516 E520	S516-L518 PolarHBondContact O-N 3.33Å; S516-L518 VanDerWaalsContact O-N 3.07Å; S516-L518 PolarHBondContact OG-N 3.4Å; S516-L518 PolarHBondContact OG-O 3.48Å; L518-E520 WeakPolarHBondContact CD2-OE1 3.13Å; L518-E520 PolarHBondContact O-N 2.92Å
519	L	88	Confident	81.7	Confident	15 Å²	15	60 Å²	60	8%	0.079	32%	0.315	C	S	.	.			trans	-82.8	107.6	164.3	-64.5	174.2	0	0	0	108.1	T506 L507 L510 L602 Y605 K606	T506-L519 HydrophobicContact CG2-CB 4.08Å; T506-L519 HydrophobicContact CG2-CD2 3.96Å; L507-L519 HydrophobicContact CD2-CD2 4.2Å; L510-L519 HydrophobicContact CB-CD2 4.48Å; L510-L519 HydrophobicContact CD1-CD2 3.99Å; L519-L602 HydrophobicContact CB-CB 4.21Å; L519-L602 HydrophobicContact CB-CD1 4.33Å; L519-L602 HydrophobicContact CB-CD2 4.12Å; L519-L602 HydrophobicContact CB-CG 4.47Å; L519-L602 HydrophobicContact CD1-CD2 4.21Å; L519-Y605 HydrophobicContact CD1-CD1 3.77Å; L519-Y605 HydrophobicContact CD1-CE1 4.24Å; L519-K606 HydrophobicContact CD1-CB 4.02Å
520	E	90.4	Very high	82.2	Confident	76 Å²	76	58.7 Å²	58.7	36%	0.355	31%	0.313	S	S	.	.			trans	-77.6	137.8	-179.8	-68.7	-59.3	152.8	0	0	112	T506 L518 D522	T506-E520 WeakPolarHBondContact CG2-O 3.25Å; L518-E520 WeakPolarHBondContact CD2-OE1 3.13Å; L518-E520 PolarHBondContact O-N 2.92Å; E520-D522 VanDerWaalsContact C-N 3.34Å; E520-D522 PolarHBondContact O-N 3.15Å
521	P	94.7	Very high	83	Confident	4 Å²	4	57.5 Å²	57.5	3%	0.026	31%	0.307	C	S	.	.	S	Bend	trans	-80	-12.4	-175.7	34.8	-37.9	0	0	0	113.7	L523 I524 V525 K595 W598 L602	P521-L523 VanDerWaalsContact C-N 3.34Å; P521-L523 PolarHBondContact O-N 2.67Å; P521-I524 PolarHBondContact O-N 3.32Å; P521-V525 HydrophobicContact CB-CG2 4.15Å; P521-V525 WeakPolarHBondContact O-CG2 3.06Å; P521-V525 PolarHBondContact O-N 2.79Å; P521-K595 HydrophobicContact CG-CB 4.36Å; P521-K595 HydrophobicContact CG-CG 4.45Å; P521-W598 HydrophobicContact CB-CB 3.73Å; P521-L602 HydrophobicContact CB-CD1 4Å
522	D	94.3	Very high	83.8	Confident	65 Å²	65	58.6 Å²	58.6	35%	0.348	32%	0.32	S	S	.	.	H	α-helix	trans	-57.4	-43.1	-165.7	-70.8	-39.7	0	0	0	113.2	E520 I524 V525 N526 K595	E520-D522 VanDerWaalsContact C-N 3.34Å; E520-D522 PolarHBondContact O-N 3.15Å; D522-I524 VanDerWaalsContact C-N 3.29Å; D522-I524 PolarHBondContact O-N 2.64Å; D522-V525 PolarHBondContact O-N 3.13Å; D522-N526 WeakPolarHBondContact O-CB 3.11Å; D522-N526 PolarHBondContact O-N 2.74Å; D522-N526 PolarHBondContact O-ND2 3.11Å; D522-N526 PolarHBondContact O-OD1 3.28Å; D522-K595 WeakPolarHBondContact OD1-CE 3.4Å; D522-K595 IonicContact OD1-NZ 2.66Å; D522-K595 PolarHBondContact OD1-NZ 3.5Å
523	L	93.4	Very high	84.6	Confident	40 Å²	40	56 Å²	56	21%	0.209	31%	0.305	C	S	.	.	H	α-helix	trans	-64.2	-33.7	179.5	-66.8	175.2	0	0	0	113	D505 Q509 P521	D505-L523 HydrophobicContact CB-CD1 3.69Å; Q509-L523 HydrophobicContact CG-CD1 4.26Å; P521-L523 VanDerWaalsContact C-N 3.34Å; P521-L523 PolarHBondContact O-N 2.67Å
524	I	95.2	Very high	85.8	Confident	1 Å²	1	51 Å²	51	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-80	-40.4	177.5	-55.4	177.6	0	0	0	110.3	T499 A502 L503 P521 D522 N526 E527 W598 L602	T499-I524 HydrophobicContact CG2-CG2 4.27Å; A502-I524 HydrophobicContact CB-CB 4.4Å; A502-I524 HydrophobicContact CB-CG1 3.92Å; L503-I524 HydrophobicContact CD1-CD1 4.21Å; P521-I524 PolarHBondContact O-N 3.32Å; D522-I524 VanDerWaalsContact C-N 3.29Å; D522-I524 PolarHBondContact O-N 2.64Å; I524-N526 PolarHBondContact O-N 3.13Å; I524-E527 WeakPolarHBondContact O-CB 3.49Å; I524-E527 PolarHBondContact O-N 3.03Å; I524-W598 HydrophobicContact CB-CD2 4.27Å; I524-W598 HydrophobicContact CB-CE3 4.41Å; I524-W598 HydrophobicContact CD1-CE3 4.12Å; I524-W598 HydrophobicContact CD1-CZ3 4.3Å; I524-W598 HydrophobicContact CG2-CD2 3.51Å; I524-W598 VanDerWaalsContact CG2-CE2 3.41Å; I524-W598 HydrophobicContact CG2-CE3 3.64Å; I524-W598 HydrophobicContact CG2-CG 4.22Å; I524-W598 HydrophobicContact CG2-CH2 3.63Å; I524-W598 HydrophobicContact CG2-CZ2 3.49Å; I524-W598 VanDerWaalsContact CG2-CZ2 3.49Å; I524-W598 HydrophobicContact CG2-CZ3 3.71Å; I524-L602 HydrophobicContact CD1-CD1 4.27Å; I524-L602 HydrophobicContact CD1-CD2 3.96Å; I524-L602 HydrophobicContact CD1-CG 4.38Å
525	V	96.5	Very high	87.6	Confident	14 Å²	14	45.7 Å²	45.7	9%	0.085	25%	0.252	C	S	.	.	H	α-helix	trans	-60.7	-33.4	176.3	171.9	0	0	0	0	111.2	P521 D522 E527 C528 N594 K595 W598	P521-V525 HydrophobicContact CB-CG2 4.15Å; P521-V525 WeakPolarHBondContact O-CG2 3.06Å; P521-V525 PolarHBondContact O-N 2.79Å; D522-V525 PolarHBondContact O-N 3.13Å; V525-E527 PolarHBondContact O-N 2.87Å; V525-C528 WeakPolarHBondContact O-CB 3.44Å; V525-C528 PolarHBondContact O-N 2.78Å; V525-C528 PolarHBondContact O-SG 2.95Å; V525-N594 HydrophobicContact CG1-CB 4.2Å; V525-N594 HydrophobicContact CG2-CB 4.36Å; V525-K595 HydrophobicContact CB-CG 4.5Å; V525-K595 HydrophobicContact CG1-CG 4.22Å; V525-K595 HydrophobicContact CG2-CB 4.5Å; V525-K595 HydrophobicContact CG2-CG 3.96Å; V525-W598 HydrophobicContact CG2-CB 4.24Å; V525-W598 HydrophobicContact CG2-CG 4.22Å
526	N	94.4	Very high	89.3	Confident	89 Å²	89	42.7 Å²	42.7	48%	0.476	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-22.9	173.9	-72.2	-20.4	0	0	0	113.4	D522 I524 R692	D522-N526 WeakPolarHBondContact O-CB 3.11Å; D522-N526 PolarHBondContact O-N 2.74Å; D522-N526 PolarHBondContact O-ND2 3.11Å; D522-N526 PolarHBondContact O-OD1 3.28Å; I524-N526 PolarHBondContact O-N 3.13Å; N526-R692 PolarHBondContact O-NH1 2.85Å; N526-R692 PolarHBondContact O-NH2 3.19Å
527	E	95	Very high	90.7	Very high	13 Å²	13	42.9 Å²	42.9	6%	0.061	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	4.8	175.8	-52.5	-52.5	145.1	0	0	113.2	D495 N498 A502 I524 V525 K690 R692	D495-E527 PolarHBondContact N-O 2.95Å; N498-E527 HydrophobicContact CB-CB 4.23Å; N498-E527 HydrophobicContact CB-CG 3.91Å; N498-E527 WeakPolarHBondContact CB-OE2 3.01Å; N498-E527 PolarHBondContact ND2-OE2 2.96Å; A502-E527 HydrophobicContact CB-CG 3.87Å; I524-E527 WeakPolarHBondContact O-CB 3.49Å; I524-E527 PolarHBondContact O-N 3.03Å; V525-E527 PolarHBondContact O-N 2.87Å; E527-K690 HydrophobicContact CG-CD 4.48Å; E527-K690 WeakPolarHBondContact OE1-CD 3.44Å; E527-K690 IonicContact OE1-NZ 2.94Å; E527-K690 PolarHBondContact OE1-NZ 3.08Å; E527-R692 IonicContact OE1-CZ 3.39Å; E527-R692 IonicContact OE1-NH2 2.76Å; E527-R692 PolarHBondContact OE1-NH2 3.39Å; E527-R692 IonicContact OE2-CZ 2.62Å; E527-R692 IonicContact OE2-NE 2.73Å; E527-R692 PolarHBondContact OE2-NE 2.97Å; E527-R692 VanDerWaalsContact OE2-NE 3.09Å; E527-R692 IonicContact OE2-NH2 3.57Å; E527-R692 PolarHBondContact OE2-NH2 3.14Å
528	C	95.8	Very high	91.6	Very high	19 Å²	19	37.7 Å²	37.7	13%	0.128	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-77.7	145.1	170.2	-60.5	0	0	0	0	110.8	T492 V525	T492-C528 WeakPolarHBondContact O-CB 3.3Å; V525-C528 WeakPolarHBondContact O-CB 3.44Å; V525-C528 PolarHBondContact O-N 2.78Å; V525-C528 PolarHBondContact O-SG 2.95Å
529	C	93.2	Very high	92	Very high	19 Å²	19	37.5 Å²	37.5	13%	0.128	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-66.3	165.4	171.7	74.5	0	0	0	0	111.2	G493 Q533 Y590	G493-C529 WeakPolarHBondContact O-CB 3.44Å; G493-C529 PolarHBondContact O-N 3.3Å; C529-Q533 HydrophobicContact CB-CB 3.84Å; C529-Y590 VanDerWaalsContact O-CE1 3.28Å; C529-Y590 WeakPolarHBondContact O-CE1 3.48Å; C529-Y590 PolarHBondContact O-OH 3.44Å; C529-Y590 VanDerWaalsContact O-OH 3.1Å
530	S	93.5	Very high	91.4	Very high	35 Å²	35	39.9 Å²	39.9	25%	0.245	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-66.4	160	171.2	62.9	0	0	0	0	112.1	S532 Q533 L534	S530-S532 PolarHBondContact O-N 2.88Å; S530-S532 PolarHBondContact OG-OG 3.46Å; S530-S532 VanDerWaalsContact OG-OG 3.05Å; S530-Q533 WeakPolarHBondContact O-CB 3.47Å; S530-Q533 PolarHBondContact O-N 2.91Å; S530-Q533 VanDerWaalsContact O-N 3.11Å; S530-Q533 VanDerWaalsContact OG-CD 3.3Å; S530-Q533 WeakPolarHBondContact OG-CG 3.34Å; S530-Q533 PolarHBondContact OG-N 2.92Å; S530-Q533 PolarHBondContact OG-OE1 2.87Å; S530-L534 PolarHBondContact O-N 3.29Å; S530-L534 VanDerWaalsContact O-N 3.1Å
531	L	94.6	Very high	90.4	Very high	9 Å²	9	40.4 Å²	40.4	5%	0.047	23%	0.226	C	C	.	.	H	α-helix	trans	-54.5	-43.7	175	177.2	59.1	0	0	0	111.8	Q533 L534 Q535 L582 M585 E587 Y590	L531-Q533 VanDerWaalsContact C-N 3.29Å; L531-Q533 PolarHBondContact O-N 3.26Å; L531-L534 PolarHBondContact O-N 3.4Å; L531-L534 VanDerWaalsContact O-N 3.15Å; L531-Q535 HydrophobicContact CD1-CG 4.14Å; L531-Q535 HydrophobicContact CG-CG 4.33Å; L531-Q535 WeakPolarHBondContact O-CG 3.26Å; L531-Q535 PolarHBondContact O-N 2.83Å; L531-L582 HydrophobicContact CD1-CB 4.14Å; L531-L582 HydrophobicContact CD1-CD2 3.67Å; L531-L582 HydrophobicContact CD1-CG 4.49Å; L531-M585 HydrophobicContact CD2-CB 4.16Å; L531-M585 WeakPolarHBondContact CD2-O 3.47Å; L531-E587 WeakPolarHBondContact CB-OE2 3.36Å; L531-E587 PolarHBondContact N-OE1 3.1Å; L531-E587 PolarHBondContact N-OE2 3.49Å; L531-E587 VanDerWaalsContact N-OE2 3.1Å; L531-Y590 HydrophobicContact CB-CD1 3.92Å; L531-Y590 HydrophobicContact CB-CE1 4.44Å; L531-Y590 HydrophobicContact CB-CG 4.02Å; L531-Y590 HydrophobicContact CD1-CD2 3.94Å; L531-Y590 HydrophobicContact CD1-CG 4.02Å
532	S	92.4	Very high	89.2	Confident	66 Å²	66	45.3 Å²	45.3	46%	0.462	25%	0.252	S	S	.	.	H	α-helix	trans	-59.8	-38.1	179.8	70.3	0	0	0	0	113	S530 E536	S530-S532 PolarHBondContact O-N 2.88Å; S530-S532 PolarHBondContact OG-OG 3.46Å; S530-S532 VanDerWaalsContact OG-OG 3.05Å; S532-E536 PolarHBondContact O-N 3.23Å; S532-E536 VanDerWaalsContact O-N 3.07Å
533	Q	91	Very high	87.8	Confident	32 Å²	32	46.3 Å²	46.3	15%	0.15	26%	0.256	C	S	.	.	H	α-helix	trans	-69.2	-40.5	176.8	-77.5	164.6	-32.3	0	0	111.2	C529 S530 L531 E536 T537 N695 R698	C529-Q533 HydrophobicContact CB-CB 3.84Å; S530-Q533 WeakPolarHBondContact O-CB 3.47Å; S530-Q533 PolarHBondContact O-N 2.91Å; S530-Q533 VanDerWaalsContact O-N 3.11Å; S530-Q533 VanDerWaalsContact OG-CD 3.3Å; S530-Q533 WeakPolarHBondContact OG-CG 3.34Å; S530-Q533 PolarHBondContact OG-N 2.92Å; S530-Q533 PolarHBondContact OG-OE1 2.87Å; L531-Q533 VanDerWaalsContact C-N 3.29Å; L531-Q533 PolarHBondContact O-N 3.26Å; Q533-E536 PolarHBondContact O-N 2.93Å; Q533-T537 PolarHBondContact O-N 2.86Å; Q533-T537 PolarHBondContact O-OG1 2.99Å; Q533-N695 PolarHBondContact NE2-OD1 3.32Å; Q533-R698 VanDerWaalsContact CG-NH1 3.32Å
534	L	92	Very high	86.4	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-67.7	-37.8	177.7	-164.2	61.8	0	0	0	111.9	K491 S530 L531 T537 F538 L582 Y590	K491-L534 WeakPolarHBondContact O-CD2 3.3Å; S530-L534 PolarHBondContact O-N 3.29Å; S530-L534 VanDerWaalsContact O-N 3.1Å; L531-L534 PolarHBondContact O-N 3.4Å; L531-L534 VanDerWaalsContact O-N 3.15Å; L534-T537 WeakPolarHBondContact O-CB 3.49Å; L534-T537 PolarHBondContact O-N 2.96Å; L534-F538 HydrophobicContact CD1-CD2 3.94Å; L534-F538 HydrophobicContact CD1-CE2 3.37Å; L534-F538 HydrophobicContact CD1-CZ 4.16Å; L534-F538 HydrophobicContact CD2-CE2 4.29Å; L534-F538 HydrophobicContact CG-CD2 3.86Å; L534-F538 HydrophobicContact CG-CE2 3.68Å; L534-F538 VanDerWaalsContact O-CD2 3.32Å; L534-F538 WeakPolarHBondContact O-CD2 3.37Å; L534-F538 PolarHBondContact O-N 2.89Å; L534-F538 VanDerWaalsContact O-N 3.09Å; L534-L582 HydrophobicContact CB-CD1 4.43Å; L534-L582 HydrophobicContact CD2-CD1 3.87Å; L534-L582 HydrophobicContact CD2-CD2 3.88Å; L534-L582 HydrophobicContact CG-CD1 3.81Å; L534-Y590 HydrophobicContact CD2-CE2 3.51Å
535	Q	91.9	Very high	85	Confident	43 Å²	43	54.2 Å²	54.2	20%	0.201	29%	0.294	C	S	.	.	H	α-helix	trans	-61.5	-48.6	173.8	-74.1	171.1	-23.7	0	0	111.3	L531 T537 F538 E539 Y579 L582	L531-Q535 HydrophobicContact CD1-CG 4.14Å; L531-Q535 HydrophobicContact CG-CG 4.33Å; L531-Q535 WeakPolarHBondContact O-CG 3.26Å; L531-Q535 PolarHBondContact O-N 2.83Å; Q535-T537 VanDerWaalsContact C-N 3.27Å; Q535-T537 PolarHBondContact O-N 3.32Å; Q535-F538 CarbonylContact O-C 3.5Å; Q535-F538 PolarHBondContact O-N 2.9Å; Q535-F538 VanDerWaalsContact O-N 3.13Å; Q535-E539 PolarHBondContact O-N 2.91Å; Q535-Y579 HydrophobicContact CB-CE2 4.25Å; Q535-Y579 WeakPolarHBondContact O-CD2 3.37Å; Q535-Y579 WeakPolarHBondContact O-CE2 3.42Å; Q535-L582 HydrophobicContact CG-CB 3.88Å; Q535-L582 PolarHBondContact NE2-O 3.46Å
536	E	88.5	Confident	83.4	Confident	96 Å²	96	55.7 Å²	55.7	45%	0.449	30%	0.301	S	S	.	.	H	α-helix	trans	-57.1	-41.7	175.6	-177	-178.8	-166.5	0	0	111.5	S532 Q533 F538 E539 R698	S532-E536 PolarHBondContact O-N 3.23Å; S532-E536 VanDerWaalsContact O-N 3.07Å; Q533-E536 PolarHBondContact O-N 2.93Å; E536-F538 VanDerWaalsContact C-N 3.32Å; E536-F538 PolarHBondContact O-N 3.12Å; E536-E539 WeakPolarHBondContact O-CB 3.22Å; E536-E539 PolarHBondContact O-N 2.71Å; E536-R698 IonicContact OE2-CZ 3.37Å; E536-R698 IonicContact OE2-NH1 3.9Å; E536-R698 PolarHBondContact OE2-NH1 3.4Å
537	T	86.7	Confident	82	Confident	39 Å²	39	54 Å²	54	24%	0.239	29%	0.288	C	S	.	.	H	α-helix	trans	-59.6	-44.1	177.3	-56.7	0	0	0	0	111.7	Q380 T382 Q533 L534 Q535 K575	Q380-T537 PolarHBondContact NE2-OG1 3.27Å; Q380-T537 VanDerWaalsContact NE2-OG1 3.1Å; Q380-T537 PolarHBondContact OE1-OG1 2.7Å; T382-T537 HydrophobicContact CG2-CG2 3.55Å; Q533-T537 PolarHBondContact O-N 2.86Å; Q533-T537 PolarHBondContact O-OG1 2.99Å; L534-T537 WeakPolarHBondContact O-CB 3.49Å; L534-T537 PolarHBondContact O-N 2.96Å; Q535-T537 VanDerWaalsContact C-N 3.27Å; Q535-T537 PolarHBondContact O-N 3.32Å; T537-K575 WeakPolarHBondContact O-CE 3.35Å; T537-K575 PolarHBondContact O-NZ 3.37Å
538	F	87	Confident	80.6	Confident	4 Å²	4	59.2 Å²	59.2	2%	0.018	31%	0.312	C	S	.	.	H	α-helix	trans	-91.5	3.4	-177.1	-64.1	-51	0	0	0	114.6	E490 L534 Q535 E536 L570 K575 L578 Y579 L582	E490-F538 HydrophobicContact CG-CE1 4.4Å; E490-F538 HydrophobicContact CG-CZ 3.98Å; L534-F538 HydrophobicContact CD1-CD2 3.94Å; L534-F538 HydrophobicContact CD1-CE2 3.37Å; L534-F538 HydrophobicContact CD1-CZ 4.16Å; L534-F538 HydrophobicContact CD2-CE2 4.29Å; L534-F538 HydrophobicContact CG-CD2 3.86Å; L534-F538 HydrophobicContact CG-CE2 3.68Å; L534-F538 VanDerWaalsContact O-CD2 3.32Å; L534-F538 WeakPolarHBondContact O-CD2 3.37Å; L534-F538 PolarHBondContact O-N 2.89Å; L534-F538 VanDerWaalsContact O-N 3.09Å; Q535-F538 CarbonylContact O-C 3.5Å; Q535-F538 PolarHBondContact O-N 2.9Å; Q535-F538 VanDerWaalsContact O-N 3.13Å; E536-F538 VanDerWaalsContact C-N 3.32Å; E536-F538 PolarHBondContact O-N 3.12Å; F538-L570 HydrophobicContact CD1-CD2 3.89Å; F538-L570 HydrophobicContact CE1-CD2 3.59Å; F538-K575 VanDerWaalsContact C-CE 3.41Å; F538-K575 HydrophobicContact CB-CG 4.28Å; F538-K575 HydrophobicContact CD1-CG 3.97Å; F538-K575 WeakPolarHBondContact O-CE 3.47Å; F538-L578 HydrophobicContact CD2-CB 4.38Å; F538-L578 HydrophobicContact CE1-CD1 4.46Å; F538-L578 HydrophobicContact CG-CB 4.36Å; F538-Y579 WeakPolarHBondContact O-CB 3.27Å; F538-L582 HydrophobicContact CD2-CD1 3.67Å; F538-L582 HydrophobicContact CE2-CD1 4.34Å
539	E	84.5	Confident	79	Confident	108 Å²	108	61.8 Å²	61.8	51%	0.505	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-56.8	130	178.3	-165.6	173.6	-171.6	0	0	110.4	Q535 E536 T541 K575 Y579	Q535-E539 PolarHBondContact O-N 2.91Å; E536-E539 WeakPolarHBondContact O-CB 3.22Å; E536-E539 PolarHBondContact O-N 2.71Å; E539-T541 PolarHBondContact O-N 3.44Å; E539-K575 WeakPolarHBondContact O-CE 3.43Å; E539-K575 PolarHBondContact O-NZ 3.07Å; E539-Y579 HydrophobicContact CB-CD2 4.42Å; E539-Y579 HydrophobicContact CB-CE2 4.16Å; E539-Y579 HydrophobicContact CG-CE2 4.25Å
540	P	74.2	Confident	77.4	Confident	65 Å²	65	60.9 Å²	60.9	42%	0.422	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-61.5	120.5	178.7	-22.8	33.1	0	0	0	111	E576	P540-E576 HydrophobicContact CG-CB 4.38Å; P540-E576 HydrophobicContact CG-CG 4.07Å
541	T	70	Confident	75.8	Confident	88 Å²	88	61.2 Å²	61.2	54%	0.54	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-75	140.7	175.7	-34.7	0	0	0	0	109.8	E539 I543	E539-T541 PolarHBondContact O-N 3.44Å; T541-I543 PolarHBondContact O-N 3.07Å
542	N	69.3	Low	74.4	Confident	107 Å²	107	71 Å²	71	57%	0.572	36%	0.359	S	S	*	.			trans	-68.3	96	171.7	-173	-30.8	0	0	0	109.8	E544 L545 H546	N542-E544 PolarHBondContact O-N 3.36Å; N542-E544 PolarHBondContact OD1-N 3.25Å; N542-L545 HydrophobicContact CB-CB 4.21Å; N542-L545 PolarHBondContact O-N 2.94Å; N542-L545 PolarHBondContact OD1-N 3.3Å; N542-H546 WeakPolarHBondContact O-CB 3.36Å; N542-H546 PolarHBondContact O-N 2.91Å
543	I	64	Low	72.6	Confident	85 Å²	85	74.4 Å²	74.4	44%	0.436	37%	0.366	S	S	.	.	H	α-helix	trans	-56.1	-37.1	-175	-68.6	166.4	0	0	0	111.8	T541 H546 R547	T541-I543 PolarHBondContact O-N 3.07Å; I543-H546 WeakPolarHBondContact O-CB 3.24Å; I543-H546 PolarHBondContact O-N 3.45Å; I543-R547 WeakPolarHBondContact O-CB 3.38Å; I543-R547 PolarHBondContact O-N 3.1Å
544	E	64.4	Low	70.8	Confident	113 Å²	113	74.2 Å²	74.2	53%	0.528	37%	0.367	S	S	.	.	H	α-helix	trans	-68.5	-47	-176.9	-162.6	67.3	-160.5	0	0	111.4	N542 H546 R547 Q548	N542-E544 PolarHBondContact O-N 3.36Å; N542-E544 PolarHBondContact OD1-N 3.25Å; E544-H546 VanDerWaalsContact C-N 3.28Å; E544-H546 PolarHBondContact O-N 2.98Å; E544-R547 WeakPolarHBondContact O-CB 3.4Å; E544-R547 PolarHBondContact O-N 3.2Å; E544-Q548 WeakPolarHBondContact O-CG 3.49Å; E544-Q548 PolarHBondContact O-N 2.83Å; E544-Q548 VanDerWaalsContact O-N 3.1Å
545	L	66.3	Low	69.2	Low	94 Å²	94	77.1 Å²	77.1	49%	0.492	40%	0.396	S	S	.	.	H	α-helix	trans	-61.6	-42.2	175.1	-179.5	64.4	0	0	0	110.8	N542 Q548 L549	N542-L545 HydrophobicContact CB-CB 4.21Å; N542-L545 PolarHBondContact O-N 2.94Å; N542-L545 PolarHBondContact OD1-N 3.3Å; L545-Q548 PolarHBondContact O-N 2.81Å; L545-L549 HydrophobicContact CD1-CD1 4.49Å; L545-L549 HydrophobicContact CG-CD1 4.13Å; L545-L549 WeakPolarHBondContact O-CG 3.44Å; L545-L549 PolarHBondContact O-N 3.49Å
546	H	63.5	Low	67.5	Low	46 Å²	46	75.3 Å²	75.3	21%	0.213	39%	0.388	C	S	.	.	H	α-helix	trans	-59.8	-46.9	177.6	-165.1	82.1	0	0	0	111.6	P392 D393 N542 I543 E544 Q548 L549 S550	P392-H546 VanDerWaalsContact CA-CE1 3.49Å; P392-H546 WeakPolarHBondContact CA-CE1 3.46Å; P392-H546 WeakPolarHBondContact CB-CE1 3.35Å; P392-H546 WeakPolarHBondContact CB-NE2 3.46Å; P392-H546 PolarHBondContact O-CE1 3.36Å; P392-H546 PolarHBondContact O-NE2 3.43Å; D393-H546 IonicContact OD1-CD2 2.71Å; D393-H546 IonicContact OD1-NE2 3.52Å; N542-H546 WeakPolarHBondContact O-CB 3.36Å; N542-H546 PolarHBondContact O-N 2.91Å; I543-H546 WeakPolarHBondContact O-CB 3.24Å; I543-H546 PolarHBondContact O-N 3.45Å; E544-H546 VanDerWaalsContact C-N 3.28Å; E544-H546 PolarHBondContact O-N 2.98Å; H546-Q548 VanDerWaalsContact C-N 3.34Å; H546-Q548 PolarHBondContact O-N 2.86Å; H546-L549 PolarHBondContact O-N 2.65Å; H546-S550 PolarHBondContact O-N 2.91Å; H546-S550 PolarHBondContact O-OG 3.37Å; H546-S550 VanDerWaalsContact O-OG 3.05Å
547	R	63.3	Low	66	Low	54 Å²	54	78.7 Å²	78.7	20%	0.204	40%	0.397	C	S	.	.	H	α-helix	trans	-54.7	-47.7	175.2	-124.5	-171.2	-173.3	114.6	2.3	112.5	I543 E544 L549 S550 A551 I561 D562	I543-R547 WeakPolarHBondContact O-CB 3.38Å; I543-R547 PolarHBondContact O-N 3.1Å; E544-R547 WeakPolarHBondContact O-CB 3.4Å; E544-R547 PolarHBondContact O-N 3.2Å; R547-L549 VanDerWaalsContact C-N 3.34Å; R547-L549 PolarHBondContact O-N 3.22Å; R547-S550 PolarHBondContact O-N 2.94Å; R547-A551 WeakPolarHBondContact O-CB 3.38Å; R547-A551 PolarHBondContact O-N 3.43Å; R547-I561 HydrophobicContact CG-CB 4.49Å; R547-I561 HydrophobicContact CG-CD1 3.85Å; R547-I561 HydrophobicContact CG-CG2 3.89Å; R547-D562 IonicContact CZ-OD1 3.01Å; R547-D562 IonicContact NH2-OD1 3.63Å; R547-D562 PolarHBondContact NH2-OD1 2.89Å; R547-D562 IonicContact NH2-OD2 3.74Å; R547-D562 PolarHBondContact NH2-OD2 2.84Å
548	Q	65.4	Low	64.6	Low	122 Å²	122	83.3 Å²	83.3	57%	0.57	42%	0.416	S	S	*	.	H	α-helix	trans	-63.8	-40.6	-179.4	-71.5	178.5	7.3	0	0	111.6	E544 L545 H546 R552	E544-Q548 WeakPolarHBondContact O-CG 3.49Å; E544-Q548 PolarHBondContact O-N 2.83Å; E544-Q548 VanDerWaalsContact O-N 3.1Å; L545-Q548 PolarHBondContact O-N 2.81Å; H546-Q548 VanDerWaalsContact C-N 3.34Å; H546-Q548 PolarHBondContact O-N 2.86Å; Q548-R552 PolarHBondContact O-N 3.44Å
549	L	62.5	Low	63.4	Low	72 Å²	72	87.6 Å²	87.6	38%	0.377	44%	0.439	S	S	.	.	H	α-helix	trans	-66.1	-47.5	175.5	-66.8	168.2	0	0	0	110.8	L545 H546 R547 A551 R552 F553	L545-L549 HydrophobicContact CD1-CD1 4.49Å; L545-L549 HydrophobicContact CG-CD1 4.13Å; L545-L549 WeakPolarHBondContact O-CG 3.44Å; L545-L549 PolarHBondContact O-N 3.49Å; H546-L549 PolarHBondContact O-N 2.65Å; R547-L549 VanDerWaalsContact C-N 3.34Å; R547-L549 PolarHBondContact O-N 3.22Å; L549-A551 PolarHBondContact O-N 2.91Å; L549-R552 WeakPolarHBondContact O-CB 3.43Å; L549-R552 PolarHBondContact O-N 2.75Å; L549-R552 VanDerWaalsContact O-N 3.08Å; L549-F553 HydrophobicContact CB-CD2 4.27Å; L549-F553 HydrophobicContact CB-CE2 4.35Å; L549-F553 HydrophobicContact CD2-CE2 3.93Å; L549-F553 WeakPolarHBondContact O-CD2 3.49Å; L549-F553 PolarHBondContact O-N 2.68Å
550	S	59.3	Low	62.3	Low	0 Å²	0	84.5 Å²	84.5	0%	0	43%	0.425	C	S	.	.	H	α-helix	trans	-55.6	-51.7	177.8	-61.9	0	0	0	0	112.1	P392 D393 H546 R547 R552 F553 T554	P392-S550 WeakPolarHBondContact CB-OG 3.36Å; P392-S550 WeakPolarHBondContact CG-OG 3.44Å; D393-S550 WeakPolarHBondContact OD1-CB 3.28Å; D393-S550 PolarHBondContact OD1-OG 3.27Å; D393-S550 VanDerWaalsContact OD2-CB 3.26Å; D393-S550 WeakPolarHBondContact OD2-CB 3.3Å; D393-S550 PolarHBondContact OD2-OG 3.04Å; H546-S550 PolarHBondContact O-N 2.91Å; H546-S550 PolarHBondContact O-OG 3.37Å; H546-S550 VanDerWaalsContact O-OG 3.05Å; R547-S550 PolarHBondContact O-N 2.94Å; S550-R552 PolarHBondContact O-N 3.2Å; S550-R552 VanDerWaalsContact O-N 3.14Å; S550-F553 PolarHBondContact O-N 2.92Å; S550-T554 PolarHBondContact O-N 2.61Å; S550-T554 PolarHBondContact O-OG1 3.1Å
551	A	61.5	Low	61.7	Low	43 Å²	43	82.1 Å²	82.1	36%	0.355	41%	0.409	S	S	.	.	H	α-helix	trans	-56.8	-33.4	178.4	0	0	0	0	0	112.5	R547 L549	R547-A551 WeakPolarHBondContact O-CB 3.38Å; R547-A551 PolarHBondContact O-N 3.43Å; L549-A551 PolarHBondContact O-N 2.91Å
552	R	63.6	Low	61.5	Low	214 Å²	214	82.1 Å²	82.1	81%	0.808	41%	0.405	S	S	*	.	H	α-helix	trans	-74.8	-43.7	178.3	-130.1	-176.4	-154.3	-172.3	6.8	113.3	Q548 L549 S550	Q548-R552 PolarHBondContact O-N 3.44Å; L549-R552 WeakPolarHBondContact O-CB 3.43Å; L549-R552 PolarHBondContact O-N 2.75Å; L549-R552 VanDerWaalsContact O-N 3.08Å; S550-R552 PolarHBondContact O-N 3.2Å; S550-R552 VanDerWaalsContact O-N 3.14Å
553	F	55.3	Low	61.5	Low	138 Å²	138	82 Å²	82	61%	0.605	40%	0.401	S	S	*	.	H	α-helix	trans	-88.7	-35.2	-170.2	-75.2	-67.8	0	0	0	113.8	L549 S550	L549-F553 HydrophobicContact CB-CD2 4.27Å; L549-F553 HydrophobicContact CB-CE2 4.35Å; L549-F553 HydrophobicContact CD2-CE2 3.93Å; L549-F553 WeakPolarHBondContact O-CD2 3.49Å; L549-F553 PolarHBondContact O-N 2.68Å; S550-F553 PolarHBondContact O-N 2.92Å
554	T	54.5	Low	61.6	Low	28 Å²	28	78.6 Å²	78.6	17%	0.172	38%	0.384	C	S	.	.	H	α-helix	trans	-102	-13.3	-174.4	64.8	0	0	0	0	112.5	S550 I556	S550-T554 PolarHBondContact O-N 2.61Å; S550-T554 PolarHBondContact O-OG1 3.1Å; T554-I556 HydrophobicContact CG2-CD1 4.23Å; T554-I556 PolarHBondContact O-N 3.21Å; T554-I556 VanDerWaalsContact OG1-CB 3.23Å; T554-I556 WeakPolarHBondContact OG1-CB 3.39Å; T554-I556 VanDerWaalsContact OG1-CD1 3.27Å; T554-I556 WeakPolarHBondContact OG1-CD1 3.37Å; T554-I556 WeakPolarHBondContact OG1-CG1 3.42Å; T554-I556 PolarHBondContact OG1-N 3.32Å
555	G	56.7	Low	61.9	Low	60 Å²	60	75.7 Å²	75.7	62%	0.619	37%	0.371	S	S	*	.			trans	64.3	13.8	-172.2	0	0	0	0	0	113.1
556	I	56.3	Low	62.3	Low	6 Å²	6	77 Å²	77	3%	0.031	37%	0.374	C	S	.	.			trans	-74.6	127.8	-180	-67.4	174.6	0	0	0	108.8	F168 T554 I560 I561	F168-I556 HydrophobicContact CB-CD1 4.31Å; T554-I556 HydrophobicContact CG2-CD1 4.23Å; T554-I556 PolarHBondContact O-N 3.21Å; T554-I556 VanDerWaalsContact OG1-CB 3.23Å; T554-I556 WeakPolarHBondContact OG1-CB 3.39Å; T554-I556 VanDerWaalsContact OG1-CD1 3.27Å; T554-I556 WeakPolarHBondContact OG1-CD1 3.37Å; T554-I556 WeakPolarHBondContact OG1-CG1 3.42Å; T554-I556 PolarHBondContact OG1-N 3.32Å; I556-I560 HydrophobicContact CG2-CB 3.4Å; I556-I560 VanDerWaalsContact CG2-CB 3.4Å; I556-I560 HydrophobicContact CG2-CD1 4.05Å; I556-I560 HydrophobicContact CG2-CG1 4.3Å; I556-I560 HydrophobicContact CG2-CG2 3.43Å; I556-I560 VanDerWaalsContact CG2-CG2 3.43Å; I556-I561 HydrophobicContact CG2-CG1 4.17Å
557	R	57.4	Low	62.6	Low	167 Å²	167	76 Å²	76	63%	0.63	37%	0.371	S	S	*	.			trans	-65.5	147.2	175.2	-70.3	-175.8	-179.8	179.5	2.3	110.5	N559 I560	R557-N559 WeakPolarHBondContact CB-OD1 3.22Å; R557-N559 PolarHBondContact O-N 3.38Å; R557-I560 WeakPolarHBondContact O-CB 3.39Å; R557-I560 PolarHBondContact O-N 2.94Å
558	E	58.4	Low	63.1	Low	135 Å²	135	75.7 Å²	75.7	63%	0.631	37%	0.371	S	S	*	.	H	α-helix	trans	-51.1	-35.3	-176.3	-70.8	179.2	163.4	0	0	114.4	I560 I561 D562	E558-I560 VanDerWaalsContact C-N 3.26Å; E558-I560 PolarHBondContact O-N 3.04Å; E558-I561 WeakPolarHBondContact O-CB 3.34Å; E558-I561 PolarHBondContact O-N 3.1Å; E558-I561 VanDerWaalsContact O-N 3.1Å; E558-D562 PolarHBondContact O-N 3.44Å
559	N	61.1	Low	63.5	Low	94 Å²	94	71.1 Å²	71.1	50%	0.503	35%	0.35	S	S	.	.	H	α-helix	trans	-66.1	-25	179.9	66.7	-30.9	0	0	0	114	R557	R557-N559 WeakPolarHBondContact CB-OD1 3.22Å; R557-N559 PolarHBondContact O-N 3.38Å
560	I	62.1	Low	64.2	Low	44 Å²	44	68.9 Å²	68.9	23%	0.226	34%	0.339	C	S	.	.	H	α-helix	trans	-78.5	-31.6	174.6	-63.1	168.2	0	0	0	109.8	I556 R557 E558 D562 Q563 L564	I556-I560 HydrophobicContact CG2-CB 3.4Å; I556-I560 VanDerWaalsContact CG2-CB 3.4Å; I556-I560 HydrophobicContact CG2-CD1 4.05Å; I556-I560 HydrophobicContact CG2-CG1 4.3Å; I556-I560 HydrophobicContact CG2-CG2 3.43Å; I556-I560 VanDerWaalsContact CG2-CG2 3.43Å; R557-I560 WeakPolarHBondContact O-CB 3.39Å; R557-I560 PolarHBondContact O-N 2.94Å; E558-I560 VanDerWaalsContact C-N 3.26Å; E558-I560 PolarHBondContact O-N 3.04Å; I560-D562 VanDerWaalsContact C-N 3.33Å; I560-D562 PolarHBondContact O-N 3.23Å; I560-Q563 WeakPolarHBondContact O-CB 3.31Å; I560-Q563 PolarHBondContact O-N 3.08Å; I560-Q563 VanDerWaalsContact O-N 3.09Å; I560-L564 HydrophobicContact CG2-CD1 4.15Å; I560-L564 HydrophobicContact CG2-CG 4.33Å; I560-L564 WeakPolarHBondContact O-CG 3.08Å; I560-L564 PolarHBondContact O-N 2.99Å
561	I	61.3	Low	65.1	Low	15 Å²	15	72.2 Å²	72.2	8%	0.077	35%	0.353	C	S	.	.	H	α-helix	trans	-62.1	-42.4	177.5	-56.8	176.1	0	0	0	110.4	R547 I556 E558 Q563 L564 E565	R547-I561 HydrophobicContact CG-CB 4.49Å; R547-I561 HydrophobicContact CG-CD1 3.85Å; R547-I561 HydrophobicContact CG-CG2 3.89Å; I556-I561 HydrophobicContact CG2-CG1 4.17Å; E558-I561 WeakPolarHBondContact O-CB 3.34Å; E558-I561 PolarHBondContact O-N 3.1Å; E558-I561 VanDerWaalsContact O-N 3.1Å; I561-Q563 VanDerWaalsContact C-N 3.28Å; I561-Q563 PolarHBondContact O-N 3.49Å; I561-L564 PolarHBondContact O-N 2.93Å; I561-L564 VanDerWaalsContact O-N 3.12Å; I561-E565 PolarHBondContact O-N 3.09Å
562	D	65.9	Low	65.8	Low	87 Å²	87	71.8 Å²	71.8	47%	0.465	35%	0.348	S	S	.	.	H	α-helix	trans	-59.9	-38.3	173.5	-76.7	-52.8	0	0	0	112.7	R547 E558 I560 L564 E566	R547-D562 IonicContact CZ-OD1 3.01Å; R547-D562 IonicContact NH2-OD1 3.63Å; R547-D562 PolarHBondContact NH2-OD1 2.89Å; R547-D562 IonicContact NH2-OD2 3.74Å; R547-D562 PolarHBondContact NH2-OD2 2.84Å; E558-D562 PolarHBondContact O-N 3.44Å; I560-D562 VanDerWaalsContact C-N 3.33Å; I560-D562 PolarHBondContact O-N 3.23Å; D562-L564 VanDerWaalsContact C-N 3.33Å; D562-E566 PolarHBondContact O-N 2.93Å
563	Q	67.9	Low	66.5	Low	105 Å²	105	70 Å²	70	49%	0.491	35%	0.346	S	S	.	.	H	α-helix	trans	-68.5	-34.7	176.4	-67.4	-179.8	-4.1	0	0	111.8	I560 I561 E566 T567	I560-Q563 WeakPolarHBondContact O-CB 3.31Å; I560-Q563 PolarHBondContact O-N 3.08Å; I560-Q563 VanDerWaalsContact O-N 3.09Å; I561-Q563 VanDerWaalsContact C-N 3.28Å; I561-Q563 PolarHBondContact O-N 3.49Å; Q563-E566 PolarHBondContact O-N 2.96Å; Q563-T567 WeakPolarHBondContact O-CG2 3.32Å; Q563-T567 PolarHBondContact O-N 3.16Å
564	L	66.9	Low	67.8	Low	13 Å²	13	67.4 Å²	67.4	7%	0.068	34%	0.336	C	S	.	.	H	α-helix	trans	-68.4	-40.2	177.3	-69.8	169.4	0	0	0	111.5	D393 R395 I560 I561 D562 E566 T567 K568	D393-L564 HydrophobicContact CB-CB 4.3Å; D393-L564 HydrophobicContact CB-CD1 3.55Å; R395-L564 HydrophobicContact CB-CD2 4.33Å; I560-L564 HydrophobicContact CG2-CD1 4.15Å; I560-L564 HydrophobicContact CG2-CG 4.33Å; I560-L564 WeakPolarHBondContact O-CG 3.08Å; I560-L564 PolarHBondContact O-N 2.99Å; I561-L564 PolarHBondContact O-N 2.93Å; I561-L564 VanDerWaalsContact O-N 3.12Å; D562-L564 VanDerWaalsContact C-N 3.33Å; L564-E566 PolarHBondContact O-N 3.08Å; L564-T567 WeakPolarHBondContact O-CB 3.41Å; L564-T567 PolarHBondContact O-N 3.3Å; L564-T567 PolarHBondContact O-OG1 2.97Å; L564-K568 PolarHBondContact O-N 2.81Å
565	E	71.7	Confident	69.1	Low	53 Å²	53	68.2 Å²	68.2	25%	0.248	34%	0.337	C	S	.	.	H	α-helix	trans	-60.3	-36.3	174.6	-175.4	64.3	-165.8	0	0	112.1	I561 T567 K568 S572	I561-E565 PolarHBondContact O-N 3.09Å; E565-T567 PolarHBondContact O-N 2.82Å; E565-K568 PolarHBondContact O-N 2.84Å; E565-K568 WeakPolarHBondContact OE2-CD 3.44Å; E565-K568 VanDerWaalsContact OE2-CE 3.29Å; E565-K568 WeakPolarHBondContact OE2-CE 3.48Å; E565-K568 IonicContact OE2-NZ 3.49Å; E565-K568 PolarHBondContact OE2-NZ 3.32Å; E565-S572 WeakPolarHBondContact OE1-CB 3.12Å; E565-S572 PolarHBondContact OE1-N 3.5Å; E565-S572 VanDerWaalsContact OE1-N 3.12Å; E565-S572 PolarHBondContact OE1-OG 3.41Å
566	E	73.6	Confident	70.4	Confident	120 Å²	120	69 Å²	69	56%	0.561	32%	0.324	S	S	*	.	H	α-helix	trans	-67.1	-18.1	174.2	-77.4	-66.5	148.8	0	0	113.6	D562 Q563 L564 K571	D562-E566 PolarHBondContact O-N 2.93Å; Q563-E566 PolarHBondContact O-N 2.96Å; L564-E566 PolarHBondContact O-N 3.08Å; E566-K571 VanDerWaalsContact CD-NZ 3.31Å; E566-K571 IonicContact OE1-NZ 3.31Å; E566-K571 PolarHBondContact OE1-NZ 3.04Å; E566-K571 IonicContact OE2-NZ 3.11Å; E566-K571 PolarHBondContact OE2-NZ 3.14Å
567	T	70.8	Confident	71.8	Confident	25 Å²	25	75 Å²	75	15%	0.153	35%	0.351	C	S	.	.	H	α-helix	trans	-85.3	-19.8	176.3	63.1	0	0	0	0	114.1	Y22 Q400 Q563 L564 E565	Y22-T567 HydrophobicContact CE2-CG2 4.45Å; Q400-T567 PolarHBondContact NE2-O 2.89Å; Q563-T567 WeakPolarHBondContact O-CG2 3.32Å; Q563-T567 PolarHBondContact O-N 3.16Å; L564-T567 WeakPolarHBondContact O-CB 3.41Å; L564-T567 PolarHBondContact O-N 3.3Å; L564-T567 PolarHBondContact O-OG1 2.97Å; E565-T567 PolarHBondContact O-N 2.82Å
568	K	72.5	Confident	73.2	Confident	49 Å²	49	68.3 Å²	68.3	21%	0.213	33%	0.327	C	S	.	.			trans	-62.4	140.4	-178.5	-68.3	-176.4	-176.3	163.8	0	111.6	L564 E565	L564-K568 PolarHBondContact O-N 2.81Å; E565-K568 PolarHBondContact O-N 2.84Å; E565-K568 WeakPolarHBondContact OE2-CD 3.44Å; E565-K568 VanDerWaalsContact OE2-CE 3.29Å; E565-K568 WeakPolarHBondContact OE2-CE 3.48Å; E565-K568 IonicContact OE2-NZ 3.49Å; E565-K568 PolarHBondContact OE2-NZ 3.32Å
569	I	74.4	Confident	74.7	Confident	25 Å²	25	64.2 Å²	64.2	13%	0.128	31%	0.306	C	S	.	.	S	Bend	trans	-70.8	-48.1	176.7	-66.4	-167.4	0	0	0	109.6	L18 W383 D384 A399	L18-I569 HydrophobicContact CD1-CD1 4.33Å; L18-I569 HydrophobicContact CD1-CG2 4.37Å; L18-I569 HydrophobicContact CD2-CD1 4.42Å; L18-I569 HydrophobicContact CG-CD1 4.22Å; W383-I569 HydrophobicContact CB-CB 3.89Å; W383-I569 HydrophobicContact CB-CD1 3.94Å; W383-I569 HydrophobicContact CB-CG1 4.34Å; W383-I569 HydrophobicContact CB-CG2 3.96Å; W383-I569 HydrophobicContact CD2-CD1 3.82Å; W383-I569 HydrophobicContact CE3-CD1 3.78Å; W383-I569 HydrophobicContact CG-CB 4.31Å; W383-I569 HydrophobicContact CG-CD1 3.91Å; W383-I569 HydrophobicContact CG-CG2 3.87Å; D384-I569 PolarHBondContact OD1-N 3.18Å; D384-I569 VanDerWaalsContact OD1-N 3.08Å; D384-I569 PolarHBondContact OD2-N 3.06Å; A399-I569 HydrophobicContact CB-CD1 3.43Å; A399-I569 VanDerWaalsContact CB-CD1 3.43Å; A399-I569 HydrophobicContact CB-CG1 3.86Å
570	L	76.4	Confident	76.1	Confident	26 Å²	26	65.2 Å²	65.2	14%	0.136	31%	0.306	C	S	.	.	S	Bend	trans	-99.9	94.8	176.6	-164	73.6	0	0	0	109.3	D384 F538 E574 K575 L578	D384-L570 PolarHBondContact OD2-N 2.91Å; F538-L570 HydrophobicContact CD1-CD2 3.89Å; F538-L570 HydrophobicContact CE1-CD2 3.59Å; L570-E574 HydrophobicContact CD1-CB 3.84Å; L570-E574 HydrophobicContact CG-CB 4.33Å; L570-K575 HydrophobicContact CD2-CB 3.95Å; L570-K575 HydrophobicContact CD2-CG 4.07Å; L570-K575 HydrophobicContact CG-CB 4.25Å; L570-L578 HydrophobicContact CD1-CD1 3.74Å; L570-L578 HydrophobicContact CD2-CD1 3.94Å; L570-L578 HydrophobicContact CG-CD1 4.43Å
571	K	78.5	Confident	77.3	Confident	69 Å²	69	67.3 Å²	67.3	30%	0.3	32%	0.315	S	S	.	.			trans	-60.7	150.8	179.1	-65.4	-169.5	172	-159.2	0	110.3	E566 K573 E574 K575	E566-K571 VanDerWaalsContact CD-NZ 3.31Å; E566-K571 IonicContact OE1-NZ 3.31Å; E566-K571 PolarHBondContact OE1-NZ 3.04Å; E566-K571 IonicContact OE2-NZ 3.11Å; E566-K571 PolarHBondContact OE2-NZ 3.14Å; K571-K573 PolarHBondContact O-N 2.81Å; K571-E574 PolarHBondContact N-OE2 3.4Å; K571-E574 PolarHBondContact O-N 2.83Å; K571-K575 PolarHBondContact O-N 3.08Å
572	S	77.6	Confident	78.8	Confident	35 Å²	35	66.7 Å²	66.7	25%	0.245	31%	0.311	C	S	.	.	H	α-helix	trans	-50.1	-36.4	-178	-64.6	0	0	0	0	114	E565 K575 E576	E565-S572 WeakPolarHBondContact OE1-CB 3.12Å; E565-S572 PolarHBondContact OE1-N 3.5Å; E565-S572 VanDerWaalsContact OE1-N 3.12Å; E565-S572 PolarHBondContact OE1-OG 3.41Å; S572-K575 WeakPolarHBondContact O-CB 3.14Å; S572-E576 PolarHBondContact O-N 2.74Å
573	K	77.5	Confident	80	Confident	176 Å²	176	66.9 Å²	66.9	77%	0.765	31%	0.31	S	S	*	.	H	α-helix	trans	-67.9	-35.7	176.4	-66.6	-175.4	179.6	179.4	0	114	K571 K577	K571-K573 PolarHBondContact O-N 2.81Å; K573-K577 PolarHBondContact O-N 3Å
574	E	81.4	Confident	81	Confident	83 Å²	83	69.4 Å²	69.4	39%	0.388	32%	0.321	S	S	.	.	H	α-helix	trans	-74.9	-39	178.7	-66.5	175.2	149.9	0	0	110.4	L570 K571 K577 L578	L570-E574 HydrophobicContact CD1-CB 3.84Å; L570-E574 HydrophobicContact CG-CB 4.33Å; K571-E574 PolarHBondContact N-OE2 3.4Å; K571-E574 PolarHBondContact O-N 2.83Å; E574-K577 WeakPolarHBondContact O-CB 3.43Å; E574-K577 PolarHBondContact O-N 2.96Å; E574-L578 PolarHBondContact O-N 2.95Å
575	K	82.4	Confident	82.3	Confident	45 Å²	45	71 Å²	71	20%	0.196	33%	0.329	C	S	.	.	H	α-helix	trans	-55.7	-49.8	170.5	-164.7	-172.7	-179.8	-166.5	0	111.4	T537 F538 E539 L570 K571 S572 K577 L578 Y579	T537-K575 WeakPolarHBondContact O-CE 3.35Å; T537-K575 PolarHBondContact O-NZ 3.37Å; F538-K575 VanDerWaalsContact C-CE 3.41Å; F538-K575 HydrophobicContact CB-CG 4.28Å; F538-K575 HydrophobicContact CD1-CG 3.97Å; F538-K575 WeakPolarHBondContact O-CE 3.47Å; E539-K575 WeakPolarHBondContact O-CE 3.43Å; E539-K575 PolarHBondContact O-NZ 3.07Å; L570-K575 HydrophobicContact CD2-CB 3.95Å; L570-K575 HydrophobicContact CD2-CG 4.07Å; L570-K575 HydrophobicContact CG-CB 4.25Å; K571-K575 PolarHBondContact O-N 3.08Å; S572-K575 WeakPolarHBondContact O-CB 3.14Å; K575-K577 VanDerWaalsContact C-N 3.3Å; K575-K577 PolarHBondContact O-N 3Å; K575-L578 PolarHBondContact O-N 3.37Å; K575-Y579 PolarHBondContact O-N 3.37Å
576	E	84.5	Confident	83.4	Confident	76 Å²	76	71.8 Å²	71.8	36%	0.355	34%	0.337	S	S	.	.	H	α-helix	trans	-61	-37.9	177.4	-170.2	-171	163.3	0	0	112.4	P540 S572 Y579 K580	P540-E576 HydrophobicContact CG-CB 4.38Å; P540-E576 HydrophobicContact CG-CG 4.07Å; S572-E576 PolarHBondContact O-N 2.74Å; E576-Y579 PolarHBondContact O-N 2.77Å; E576-K580 WeakPolarHBondContact O-CG 3.23Å; E576-K580 PolarHBondContact O-N 3.33Å; E576-K580 VanDerWaalsContact OE1-CE 3.27Å; E576-K580 WeakPolarHBondContact OE1-CE 3.26Å; E576-K580 IonicContact OE1-NZ 3.69Å; E576-K580 PolarHBondContact OE1-NZ 3.11Å
577	K	86.5	Confident	84.5	Confident	134 Å²	134	69.7 Å²	69.7	58%	0.583	33%	0.328	S	S	*	.	H	α-helix	trans	-64.6	-46.1	176.2	-172.2	-171	174.3	-159.4	0	111.6	K573 E574 K575 Y579 K580 E581	K573-K577 PolarHBondContact O-N 3Å; E574-K577 WeakPolarHBondContact O-CB 3.43Å; E574-K577 PolarHBondContact O-N 2.96Å; K575-K577 VanDerWaalsContact C-N 3.3Å; K575-K577 PolarHBondContact O-N 3Å; K577-Y579 VanDerWaalsContact C-N 3.3Å; K577-Y579 PolarHBondContact O-N 3.22Å; K577-K580 PolarHBondContact O-N 3.13Å; K577-E581 VanDerWaalsContact CE-OE1 3.27Å; K577-E581 WeakPolarHBondContact CE-OE1 3.43Å; K577-E581 IonicContact NZ-OE1 2.68Å; K577-E581 WeakPolarHBondContact O-CG 3.44Å; K577-E581 PolarHBondContact O-N 3.41Å; K577-E581 VanDerWaalsContact O-N 3.09Å
578	L	85.1	Confident	85.7	Confident	26 Å²	26	76.1 Å²	76.1	14%	0.136	36%	0.356	C	S	.	.	H	α-helix	trans	-59.8	-42	175.7	-83	153.4	0	0	0	111.3	F538 L570 E574 K575 E581 L582	F538-L578 HydrophobicContact CD2-CB 4.38Å; F538-L578 HydrophobicContact CE1-CD1 4.46Å; F538-L578 HydrophobicContact CG-CB 4.36Å; L570-L578 HydrophobicContact CD1-CD1 3.74Å; L570-L578 HydrophobicContact CD2-CD1 3.94Å; L570-L578 HydrophobicContact CG-CD1 4.43Å; E574-L578 PolarHBondContact O-N 2.95Å; K575-L578 PolarHBondContact O-N 3.37Å; L578-E581 PolarHBondContact O-N 3Å; L578-L582 VanDerWaalsContact O-CG 3.28Å; L578-L582 WeakPolarHBondContact O-CG 3.37Å; L578-L582 PolarHBondContact O-N 3.44Å; L578-L582 VanDerWaalsContact O-N 3.16Å
579	Y	89.9	Confident	86.8	Confident	49 Å²	49	78.7 Å²	78.7	19%	0.192	37%	0.369	C	S	.	.	H	α-helix	trans	-58.8	-49.3	175.9	-177.1	-94.7	0	0	0	112	Q535 F538 E539 K575 E576 K577 E581 L582 E583	Q535-Y579 HydrophobicContact CB-CE2 4.25Å; Q535-Y579 WeakPolarHBondContact O-CD2 3.37Å; Q535-Y579 WeakPolarHBondContact O-CE2 3.42Å; F538-Y579 WeakPolarHBondContact O-CB 3.27Å; E539-Y579 HydrophobicContact CB-CD2 4.42Å; E539-Y579 HydrophobicContact CB-CE2 4.16Å; E539-Y579 HydrophobicContact CG-CE2 4.25Å; K575-Y579 PolarHBondContact O-N 3.37Å; E576-Y579 PolarHBondContact O-N 2.77Å; K577-Y579 VanDerWaalsContact C-N 3.3Å; K577-Y579 PolarHBondContact O-N 3.22Å; Y579-E581 VanDerWaalsContact C-N 3.3Å; Y579-E581 PolarHBondContact O-N 3.03Å; Y579-L582 CarbonylContact O-C 3.6Å; Y579-L582 WeakPolarHBondContact O-CA 3.18Å; Y579-L582 WeakPolarHBondContact O-CB 3.28Å; Y579-L582 PolarHBondContact O-N 2.95Å; Y579-E583 HydrophobicContact CE1-CB 4.47Å; Y579-E583 HydrophobicContact CE1-CG 4.5Å; Y579-E583 PolarHBondContact O-N 3.12Å
580	K	90.3	Very high	87.8	Confident	114 Å²	114	77.6 Å²	77.6	50%	0.496	36%	0.363	S	S	.	.	H	α-helix	trans	-61.5	-35	178.1	-72.1	176.8	-176	169.5	0	113.3	E576 K577 L582	E576-K580 WeakPolarHBondContact O-CG 3.23Å; E576-K580 PolarHBondContact O-N 3.33Å; E576-K580 VanDerWaalsContact OE1-CE 3.27Å; E576-K580 WeakPolarHBondContact OE1-CE 3.26Å; E576-K580 IonicContact OE1-NZ 3.69Å; E576-K580 PolarHBondContact OE1-NZ 3.11Å; K577-K580 PolarHBondContact O-N 3.13Å; K580-L582 VanDerWaalsContact C-N 3.26Å; K580-L582 PolarHBondContact O-N 3.09Å
581	E	89.2	Confident	88.8	Confident	89 Å²	89	81 Å²	81	42%	0.416	38%	0.378	S	S	.	.	H	α-helix	trans	-66.1	-30.2	174	-72.5	176.1	-168.1	0	0	112.2	K577 L578 Y579	K577-E581 VanDerWaalsContact CE-OE1 3.27Å; K577-E581 WeakPolarHBondContact CE-OE1 3.43Å; K577-E581 IonicContact NZ-OE1 2.68Å; K577-E581 WeakPolarHBondContact O-CG 3.44Å; K577-E581 PolarHBondContact O-N 3.41Å; K577-E581 VanDerWaalsContact O-N 3.09Å; L578-E581 PolarHBondContact O-N 3Å; Y579-E581 VanDerWaalsContact C-N 3.3Å; Y579-E581 PolarHBondContact O-N 3.03Å
582	L	92.2	Very high	89.6	Confident	1 Å²	1	83.6 Å²	83.6	1%	0.005	39%	0.389	C	S	.	.	H	α-helix	trans	-87.7	-29.3	-179.3	-68.1	167.3	0	0	0	113.2	L531 L534 Q535 F538 L578 Y579 K580 H584 M585 Y590	L531-L582 HydrophobicContact CD1-CB 4.14Å; L531-L582 HydrophobicContact CD1-CD2 3.67Å; L531-L582 HydrophobicContact CD1-CG 4.49Å; L534-L582 HydrophobicContact CB-CD1 4.43Å; L534-L582 HydrophobicContact CD2-CD1 3.87Å; L534-L582 HydrophobicContact CD2-CD2 3.88Å; L534-L582 HydrophobicContact CG-CD1 3.81Å; Q535-L582 HydrophobicContact CG-CB 3.88Å; Q535-L582 PolarHBondContact NE2-O 3.46Å; F538-L582 HydrophobicContact CD2-CD1 3.67Å; F538-L582 HydrophobicContact CE2-CD1 4.34Å; L578-L582 VanDerWaalsContact O-CG 3.28Å; L578-L582 WeakPolarHBondContact O-CG 3.37Å; L578-L582 PolarHBondContact O-N 3.44Å; L578-L582 VanDerWaalsContact O-N 3.16Å; Y579-L582 CarbonylContact O-C 3.6Å; Y579-L582 WeakPolarHBondContact O-CA 3.18Å; Y579-L582 WeakPolarHBondContact O-CB 3.28Å; Y579-L582 PolarHBondContact O-N 2.95Å; K580-L582 VanDerWaalsContact C-N 3.26Å; K580-L582 PolarHBondContact O-N 3.09Å; L582-H584 VanDerWaalsContact C-N 3.26Å; L582-H584 PolarHBondContact O-N 3.02Å; L582-M585 WeakPolarHBondContact O-CB 3.4Å; L582-M585 PolarHBondContact O-N 3.49Å; L582-Y590 HydrophobicContact CD2-CD2 4.27Å; L582-Y590 HydrophobicContact CD2-CE2 4.43Å
583	E	90.5	Very high	90.6	Very high	92 Å²	92	84 Å²	84	43%	0.43	39%	0.386	S	S	.	.	H	α-helix	trans	-57.6	-34.9	-172.4	-175.1	173.3	-150.9	0	0	113.5	Y579	Y579-E583 HydrophobicContact CE1-CB 4.47Å; Y579-E583 HydrophobicContact CE1-CG 4.5Å; Y579-E583 PolarHBondContact O-N 3.12Å
584	H	88.6	Confident	91.5	Very high	158 Å²	158	75.8 Å²	75.8	73%	0.731	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	6.5	-177.4	-57.2	-45.6	0	0	0	114.2	L582	L582-H584 VanDerWaalsContact C-N 3.26Å; L582-H584 PolarHBondContact O-N 3.02Å
585	M	94.5	Very high	92.3	Very high	45 Å²	45	76 Å²	76	22%	0.222	35%	0.349	C	S	.	.			trans	-86.5	145.9	-177	-160.5	167.6	-68.5	0	0	110.7	L531 L582 E589 Y590	L531-M585 HydrophobicContact CD2-CB 4.16Å; L531-M585 WeakPolarHBondContact CD2-O 3.47Å; L582-M585 WeakPolarHBondContact O-CB 3.4Å; L582-M585 PolarHBondContact O-N 3.49Å; M585-E589 HydrophobicContact CG-CB 3.58Å; M585-E589 HydrophobicContact SD-CB 4.4Å; M585-Y590 VanDerWaalsContact SD-CA 3.52Å; M585-Y590 HydrophobicContact SD-CD2 4.36Å
586	T	95.9	Very high	93	Very high	71 Å²	71	81.4 Å²	81.4	44%	0.436	37%	0.369	S	S	.	.			trans	-86.7	159.5	166.4	60.4	0	0	0	0	111.1	E588 E589 Y590	T586-E588 PolarHBondContact O-N 3.1Å; T586-E589 PolarHBondContact N-OE2 3.23Å; T586-E589 PolarHBondContact O-N 3.2Å; T586-E589 WeakPolarHBondContact OG1-CB 3.42Å; T586-E589 VanDerWaalsContact OG1-CD 3.26Å; T586-E589 WeakPolarHBondContact OG1-CG 3.3Å; T586-E589 PolarHBondContact OG1-N 2.78Å; T586-E589 PolarHBondContact OG1-OE2 3.39Å; T586-Y590 WeakPolarHBondContact O-CB 3.22Å; T586-Y590 PolarHBondContact O-N 3.25Å
587	E	95.5	Very high	93.6	Very high	76 Å²	76	79.6 Å²	79.6	36%	0.355	36%	0.361	S	S	.	.	H	α-helix	trans	-59	-35.9	176.6	-167.2	68.6	-142.8	0	0	111.7	L531 Y590 Q591	L531-E587 WeakPolarHBondContact CB-OE2 3.36Å; L531-E587 PolarHBondContact N-OE1 3.1Å; L531-E587 PolarHBondContact N-OE2 3.49Å; L531-E587 VanDerWaalsContact N-OE2 3.1Å; E587-Y590 PolarHBondContact O-N 3.26Å; E587-Q591 WeakPolarHBondContact O-CG 3.38Å; E587-Q591 PolarHBondContact O-N 3.1Å
588	E	95.8	Very high	94.2	Very high	160 Å²	160	73.2 Å²	73.2	75%	0.748	33%	0.334	S	S	*	.	H	α-helix	trans	-66.3	-44.4	176.1	-68.7	-177.2	174.8	0	0	112.5	T586 Y590 Q591 K592	T586-E588 PolarHBondContact O-N 3.1Å; E588-Y590 VanDerWaalsContact C-N 3.3Å; E588-Y590 PolarHBondContact O-N 2.67Å; E588-Q591 PolarHBondContact O-N 3.37Å; E588-K592 WeakPolarHBondContact O-CB 3.28Å; E588-K592 PolarHBondContact O-N 3.31Å
589	E	96.4	Very high	94.7	Very high	103 Å²	103	73.9 Å²	73.9	48%	0.481	34%	0.34	S	S	.	.	H	α-helix	trans	-63.9	-38.7	175.2	-73.7	167.8	144.4	0	0	111.5	M585 T586 K592 R593	M585-E589 HydrophobicContact CG-CB 3.58Å; M585-E589 HydrophobicContact SD-CB 4.4Å; T586-E589 PolarHBondContact N-OE2 3.23Å; T586-E589 PolarHBondContact O-N 3.2Å; T586-E589 WeakPolarHBondContact OG1-CB 3.42Å; T586-E589 VanDerWaalsContact OG1-CD 3.26Å; T586-E589 WeakPolarHBondContact OG1-CG 3.3Å; T586-E589 PolarHBondContact OG1-N 2.78Å; T586-E589 PolarHBondContact OG1-OE2 3.39Å; E589-K592 PolarHBondContact O-N 2.98Å; E589-R593 WeakPolarHBondContact O-CB 3.44Å; E589-R593 PolarHBondContact O-N 2.93Å
590	Y	96.1	Very high	95.1	Very high	2 Å²	2	76.6 Å²	76.6	1%	0.008	36%	0.357	C	S	.	.	H	α-helix	trans	-62.9	-48.5	175.5	172.3	-109.7	0	0	0	111.7	T492 C529 L531 L534 L582 M585 T586 E587 E588 K592 R593 N594	T492-Y590 PolarHBondContact O-OH 2.99Å; C529-Y590 VanDerWaalsContact O-CE1 3.28Å; C529-Y590 WeakPolarHBondContact O-CE1 3.48Å; C529-Y590 PolarHBondContact O-OH 3.44Å; C529-Y590 VanDerWaalsContact O-OH 3.1Å; L531-Y590 HydrophobicContact CB-CD1 3.92Å; L531-Y590 HydrophobicContact CB-CE1 4.44Å; L531-Y590 HydrophobicContact CB-CG 4.02Å; L531-Y590 HydrophobicContact CD1-CD2 3.94Å; L531-Y590 HydrophobicContact CD1-CG 4.02Å; L534-Y590 HydrophobicContact CD2-CE2 3.51Å; L582-Y590 HydrophobicContact CD2-CD2 4.27Å; L582-Y590 HydrophobicContact CD2-CE2 4.43Å; M585-Y590 VanDerWaalsContact SD-CA 3.52Å; M585-Y590 HydrophobicContact SD-CD2 4.36Å; T586-Y590 WeakPolarHBondContact O-CB 3.22Å; T586-Y590 PolarHBondContact O-N 3.25Å; E587-Y590 PolarHBondContact O-N 3.26Å; E588-Y590 VanDerWaalsContact C-N 3.3Å; E588-Y590 PolarHBondContact O-N 2.67Å; Y590-K592 VanDerWaalsContact C-N 3.33Å; Y590-K592 PolarHBondContact O-N 3.29Å; Y590-R593 WeakPolarHBondContact O-CB 3.33Å; Y590-R593 PolarHBondContact O-N 3.22Å; Y590-N594 WeakPolarHBondContact CE1-ND2 3.43Å; Y590-N594 WeakPolarHBondContact CE2-OD1 3.4Å; Y590-N594 PolarHBondContact O-N 3.49Å; Y590-N594 PolarHBondContact O-OD1 3.46Å; Y590-N594 PolarHBondContact OH-ND2 3.22Å; Y590-N594 VanDerWaalsContact OH-ND2 3.1Å
591	Q	95.8	Very high	95.5	Very high	96 Å²	96	71.5 Å²	71.5	45%	0.449	34%	0.335	S	S	.	.	H	α-helix	trans	-59.8	-42.9	174.6	-73.4	-180	6.8	0	0	111.9	E587 E588 R593 N594 K595	E587-Q591 WeakPolarHBondContact O-CG 3.38Å; E587-Q591 PolarHBondContact O-N 3.1Å; E588-Q591 PolarHBondContact O-N 3.37Å; Q591-R593 VanDerWaalsContact C-N 3.34Å; Q591-R593 PolarHBondContact O-N 2.97Å; Q591-N594 PolarHBondContact O-N 2.92Å; Q591-K595 WeakPolarHBondContact O-CG 3.34Å; Q591-K595 PolarHBondContact O-N 2.91Å
592	K	96.8	Very high	95.9	Very high	124 Å²	124	67.4 Å²	67.4	54%	0.539	32%	0.316	S	S	.	.	H	α-helix	trans	-64.1	-38.2	176.4	-170.8	176.2	-174.8	174.2	0	112.1	E588 E589 Y590 R596	E588-K592 WeakPolarHBondContact O-CB 3.28Å; E588-K592 PolarHBondContact O-N 3.31Å; E589-K592 PolarHBondContact O-N 2.98Å; Y590-K592 VanDerWaalsContact C-N 3.33Å; Y590-K592 PolarHBondContact O-N 3.29Å; K592-R596 WeakPolarHBondContact O-CG 3.46Å; K592-R596 PolarHBondContact O-N 2.87Å; K592-R596 VanDerWaalsContact O-N 3.16Å
593	R	96.7	Very high	96	Very high	45 Å²	45	74.8 Å²	74.8	17%	0.17	34%	0.343	C	S	.	.	H	α-helix	trans	-63.2	-47.8	172.9	174.1	-178.2	172.8	-145.8	2.2	110.8	E589 Y590 Q591 K595 R596 L597	E589-R593 WeakPolarHBondContact O-CB 3.44Å; E589-R593 PolarHBondContact O-N 2.93Å; Y590-R593 WeakPolarHBondContact O-CB 3.33Å; Y590-R593 PolarHBondContact O-N 3.22Å; Q591-R593 VanDerWaalsContact C-N 3.34Å; Q591-R593 PolarHBondContact O-N 2.97Å; R593-K595 PolarHBondContact O-N 2.95Å; R593-R596 WeakPolarHBondContact O-CB 3.38Å; R593-R596 PolarHBondContact O-N 3.26Å; R593-L597 HydrophobicContact CG-CD1 4.1Å; R593-L597 WeakPolarHBondContact O-CG 3.05Å; R593-L597 PolarHBondContact O-N 3.01Å
594	N	97.4	Very high	96.3	Very high	2 Å²	2	72.8 Å²	72.8	1%	0.011	34%	0.343	C	S	.	.	H	α-helix	trans	-60.7	-45.9	178.9	-72.9	4.1	0	0	0	111.4	T492 V525 Y590 Q591 R596 L597 W598	T492-N594 HydrophobicContact CG2-CB 4.09Å; T492-N594 WeakPolarHBondContact CG2-OD1 3.44Å; V525-N594 HydrophobicContact CG1-CB 4.2Å; V525-N594 HydrophobicContact CG2-CB 4.36Å; Y590-N594 WeakPolarHBondContact CE1-ND2 3.43Å; Y590-N594 WeakPolarHBondContact CE2-OD1 3.4Å; Y590-N594 PolarHBondContact O-N 3.49Å; Y590-N594 PolarHBondContact O-OD1 3.46Å; Y590-N594 PolarHBondContact OH-ND2 3.22Å; Y590-N594 VanDerWaalsContact OH-ND2 3.1Å; Q591-N594 PolarHBondContact O-N 2.92Å; N594-R596 VanDerWaalsContact C-N 3.31Å; N594-R596 PolarHBondContact O-N 3.42Å; N594-L597 PolarHBondContact O-N 3.44Å; N594-W598 PolarHBondContact O-N 3.42Å
595	K	97.6	Very high	96.7	Very high	87 Å²	87	65.2 Å²	65.2	38%	0.378	31%	0.308	S	S	.	.	H	α-helix	trans	-53.7	-47.6	173.5	-73.5	-171.7	-172.4	-149.4	0	111.6	P521 D522 V525 Q591 R593 L597 W598 S599	P521-K595 HydrophobicContact CG-CB 4.36Å; P521-K595 HydrophobicContact CG-CG 4.45Å; D522-K595 WeakPolarHBondContact OD1-CE 3.4Å; D522-K595 IonicContact OD1-NZ 2.66Å; D522-K595 PolarHBondContact OD1-NZ 3.5Å; V525-K595 HydrophobicContact CB-CG 4.5Å; V525-K595 HydrophobicContact CG1-CG 4.22Å; V525-K595 HydrophobicContact CG2-CB 4.5Å; V525-K595 HydrophobicContact CG2-CG 3.96Å; Q591-K595 WeakPolarHBondContact O-CG 3.34Å; Q591-K595 PolarHBondContact O-N 2.91Å; R593-K595 PolarHBondContact O-N 2.95Å; K595-L597 PolarHBondContact O-N 2.96Å; K595-W598 PolarHBondContact O-N 3.13Å; K595-S599 WeakPolarHBondContact O-CB 3.43Å; K595-S599 PolarHBondContact O-N 3.36Å; K595-S599 PolarHBondContact O-OG 2.64Å
596	R	97.7	Very high	96.7	Very high	159 Å²	159	65.1 Å²	65.1	60%	0.6	31%	0.306	S	S	*	.	H	α-helix	trans	-61	-45.7	178.4	-72.7	169.9	175	179.8	-3.5	112.7	K592 R593 N594 S599 I600	K592-R596 WeakPolarHBondContact O-CG 3.46Å; K592-R596 PolarHBondContact O-N 2.87Å; K592-R596 VanDerWaalsContact O-N 3.16Å; R593-R596 WeakPolarHBondContact O-CB 3.38Å; R593-R596 PolarHBondContact O-N 3.26Å; N594-R596 VanDerWaalsContact C-N 3.31Å; N594-R596 PolarHBondContact O-N 3.42Å; R596-S599 PolarHBondContact O-N 2.89Å; R596-I600 WeakPolarHBondContact O-CG1 3.3Å; R596-I600 PolarHBondContact O-N 2.91Å; R596-I600 VanDerWaalsContact O-N 3.13Å
597	L	97.6	Very high	96.6	Very high	39 Å²	39	65.9 Å²	65.9	20%	0.204	31%	0.311	C	S	.	.	H	α-helix	trans	-62.2	-47.5	179.7	-69.3	173.2	0	0	0	111.1	T488 K491 T492 R593 N594 K595 I600 W601	T488-L597 HydrophobicContact CG2-CB 4.15Å; K491-L597 HydrophobicContact CB-CD1 4.15Å; T492-L597 HydrophobicContact CG2-CB 4.33Å; T492-L597 HydrophobicContact CG2-CD1 3.83Å; R593-L597 HydrophobicContact CG-CD1 4.1Å; R593-L597 WeakPolarHBondContact O-CG 3.05Å; R593-L597 PolarHBondContact O-N 3.01Å; N594-L597 PolarHBondContact O-N 3.44Å; K595-L597 PolarHBondContact O-N 2.96Å; L597-I600 WeakPolarHBondContact O-CB 3.23Å; L597-I600 PolarHBondContact O-N 2.95Å; L597-W601 PolarHBondContact O-N 3.38Å
598	W	98.2	Very high	96.6	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-66.4	-38.3	177.8	-79.9	110.7	0	0	0	113	L485 T488 M489 T492 A494 T499 P521 I524 V525 N594 K595 I600 W601 L602	L485-W598 HydrophobicContact CD1-CH2 3.65Å; L485-W598 HydrophobicContact CD1-CZ3 3.67Å; T488-W598 HydrophobicContact CG2-CD2 3.73Å; T488-W598 HydrophobicContact CG2-CE3 4.03Å; T488-W598 HydrophobicContact CG2-CG 4.18Å; T488-W598 HydrophobicContact CG2-CH2 4.31Å; T488-W598 HydrophobicContact CG2-CZ2 4.04Å; T488-W598 HydrophobicContact CG2-CZ3 4.3Å; M489-W598 HydrophobicContact CG-CH2 3.77Å; M489-W598 HydrophobicContact CG-CZ2 3.97Å; T492-W598 PolarHBondContact OG1-NE1 2.85Å; A494-W598 HydrophobicContact CB-CZ2 3.89Å; T499-W598 HydrophobicContact CG2-CH2 3.6Å; T499-W598 HydrophobicContact CG2-CZ2 4.25Å; T499-W598 HydrophobicContact CG2-CZ3 4.37Å; P521-W598 HydrophobicContact CB-CB 3.73Å; I524-W598 HydrophobicContact CB-CD2 4.27Å; I524-W598 HydrophobicContact CB-CE3 4.41Å; I524-W598 HydrophobicContact CD1-CE3 4.12Å; I524-W598 HydrophobicContact CD1-CZ3 4.3Å; I524-W598 HydrophobicContact CG2-CD2 3.51Å; I524-W598 VanDerWaalsContact CG2-CE2 3.41Å; I524-W598 HydrophobicContact CG2-CE3 3.64Å; I524-W598 HydrophobicContact CG2-CG 4.22Å; I524-W598 HydrophobicContact CG2-CH2 3.63Å; I524-W598 HydrophobicContact CG2-CZ2 3.49Å; I524-W598 VanDerWaalsContact CG2-CZ2 3.49Å; I524-W598 HydrophobicContact CG2-CZ3 3.71Å; V525-W598 HydrophobicContact CG2-CB 4.24Å; V525-W598 HydrophobicContact CG2-CG 4.22Å; N594-W598 PolarHBondContact O-N 3.42Å; K595-W598 PolarHBondContact O-N 3.13Å; W598-I600 VanDerWaalsContact C-N 3.28Å; W598-I600 PolarHBondContact O-N 3.43Å; W598-W601 HydrophobicContact CE3-CE3 4.05Å; W598-W601 HydrophobicContact CZ3-CD2 4.24Å; W598-W601 AromaticContact CZ3-CE3 3.89Å; W598-W601 HydrophobicContact CZ3-CE3 3.89Å; W598-W601 HydrophobicContact CZ3-CZ3 4.37Å; W598-W601 PolarHBondContact O-N 3.12Å; W598-L602 WeakPolarHBondContact O-CB 3.17Å; W598-L602 WeakPolarHBondContact O-CG 3.18Å; W598-L602 PolarHBondContact O-N 2.9Å
599	S	97.1	Very high	96.5	Very high	39 Å²	39	55 Å²	55	27%	0.273	26%	0.259	S	S	.	.	H	α-helix	trans	-61.4	-34.4	173.1	-63.3	0	0	0	0	112.9	K595 R596 R603	K595-S599 WeakPolarHBondContact O-CB 3.43Å; K595-S599 PolarHBondContact O-N 3.36Å; K595-S599 PolarHBondContact O-OG 2.64Å; R596-S599 PolarHBondContact O-N 2.89Å; S599-R603 WeakPolarHBondContact O-CB 3.48Å; S599-R603 PolarHBondContact O-N 2.88Å; S599-R603 VanDerWaalsContact O-N 3.11Å
600	I	97.5	Very high	96.3	Very high	107 Å²	107	54.6 Å²	54.6	55%	0.549	26%	0.256	S	S	.	.	H	α-helix	trans	-65.3	-49.5	175.3	-69.4	163.7	0	0	0	109.8	R596 L597 W598 R603 A604	R596-I600 WeakPolarHBondContact O-CG1 3.3Å; R596-I600 PolarHBondContact O-N 2.91Å; R596-I600 VanDerWaalsContact O-N 3.13Å; L597-I600 WeakPolarHBondContact O-CB 3.23Å; L597-I600 PolarHBondContact O-N 2.95Å; W598-I600 VanDerWaalsContact C-N 3.28Å; W598-I600 PolarHBondContact O-N 3.43Å; I600-R603 PolarHBondContact O-N 2.98Å; I600-A604 PolarHBondContact O-N 3.29Å
601	W	97.9	Very high	96.2	Very high	7 Å²	7	56.6 Å²	56.6	3%	0.027	27%	0.267	C	S	.	.	H	α-helix	trans	-63.5	-45.7	179.3	-176.1	85.8	0	0	0	112	L468 L481 L485 L503 L597 W598 R603 A604 Y605	L468-W601 HydrophobicContact CD2-CH2 4.07Å; L468-W601 HydrophobicContact CD2-CZ2 4.14Å; L481-W601 HydrophobicContact CD1-CZ2 4.16Å; L481-W601 HydrophobicContact CG-CZ2 4.39Å; L481-W601 PolarHBondContact O-NE1 3.06Å; L485-W601 VanDerWaalsContact CA-NE1 3.32Å; L485-W601 HydrophobicContact CB-CZ2 3.9Å; L485-W601 HydrophobicContact CD1-CD2 4.25Å; L485-W601 HydrophobicContact CD1-CH2 4.09Å; L485-W601 HydrophobicContact CD1-CZ2 3.74Å; L485-W601 HydrophobicContact CD1-CZ3 4.49Å; L485-W601 HydrophobicContact CD2-CZ2 4.2Å; L485-W601 HydrophobicContact CG-CZ2 4.15Å; L503-W601 HydrophobicContact CD1-CH2 4.2Å; L503-W601 HydrophobicContact CD1-CZ3 3.89Å; L503-W601 HydrophobicContact CD2-CH2 3.99Å; L503-W601 HydrophobicContact CD2-CZ3 4.49Å; L597-W601 PolarHBondContact O-N 3.38Å; W598-W601 HydrophobicContact CE3-CE3 4.05Å; W598-W601 HydrophobicContact CZ3-CD2 4.24Å; W598-W601 AromaticContact CZ3-CE3 3.89Å; W598-W601 HydrophobicContact CZ3-CE3 3.89Å; W598-W601 HydrophobicContact CZ3-CZ3 4.37Å; W598-W601 PolarHBondContact O-N 3.12Å; W601-R603 VanDerWaalsContact C-N 3.26Å; W601-R603 PolarHBondContact O-N 3.39Å; W601-A604 WeakPolarHBondContact O-CB 3.41Å; W601-A604 PolarHBondContact O-N 2.95Å; W601-Y605 HydrophobicContact CH2-CD1 4.37Å; W601-Y605 HydrophobicContact CH2-CD2 4.13Å; W601-Y605 AromaticContact CH2-CG 3.92Å; W601-Y605 HydrophobicContact CH2-CG 3.92Å; W601-Y605 HydrophobicContact CZ3-CD1 4.3Å; W601-Y605 HydrophobicContact CZ3-CG 4.12Å; W601-Y605 PolarHBondContact O-N 3.08Å
602	L	97.2	Very high	96	Very high	3 Å²	3	52 Å²	52	2%	0.016	25%	0.245	C	C	.	.	H	α-helix	trans	-61.2	-32.8	178.3	-76.9	172	0	0	0	112.8	L503 L519 P521 I524 W598 Y605 K606	L503-L602 HydrophobicContact CD1-CD2 4.08Å; L519-L602 HydrophobicContact CB-CB 4.21Å; L519-L602 HydrophobicContact CB-CD1 4.33Å; L519-L602 HydrophobicContact CB-CD2 4.12Å; L519-L602 HydrophobicContact CB-CG 4.47Å; L519-L602 HydrophobicContact CD1-CD2 4.21Å; P521-L602 HydrophobicContact CB-CD1 4Å; I524-L602 HydrophobicContact CD1-CD1 4.27Å; I524-L602 HydrophobicContact CD1-CD2 3.96Å; I524-L602 HydrophobicContact CD1-CG 4.38Å; W598-L602 WeakPolarHBondContact O-CB 3.17Å; W598-L602 WeakPolarHBondContact O-CG 3.18Å; W598-L602 PolarHBondContact O-N 2.9Å; L602-Y605 HydrophobicContact CD2-CD1 4.38Å; L602-Y605 PolarHBondContact O-N 2.95Å; L602-K606 WeakPolarHBondContact O-CB 3.48Å; L602-K606 PolarHBondContact O-N 3.28Å
603	R	95.7	Very high	95.7	Very high	155 Å²	155	48.4 Å²	48.4	59%	0.585	23%	0.23	S	C	*	.	H	α-helix	trans	-66.9	-41.3	173.6	-169.5	-177.6	-61.2	104	1.5	111.9	S599 I600 W601 T607	S599-R603 WeakPolarHBondContact O-CB 3.48Å; S599-R603 PolarHBondContact O-N 2.88Å; S599-R603 VanDerWaalsContact O-N 3.11Å; I600-R603 PolarHBondContact O-N 2.98Å; W601-R603 VanDerWaalsContact C-N 3.26Å; W601-R603 PolarHBondContact O-N 3.39Å; R603-T607 PolarHBondContact O-N 3.46Å; R603-T607 PolarHBondContact O-OG1 3.38Å
604	A	96.5	Very high	95.3	Very high	50 Å²	50	53.8 Å²	53.8	41%	0.413	26%	0.257	S	S	.	.	H	α-helix	trans	-65.2	-44.2	174.3	0	0	0	0	0	111.1	L481 I600 W601 T607 R608	L481-A604 HydrophobicContact CD1-CB 4.17Å; I600-A604 PolarHBondContact O-N 3.29Å; W601-A604 WeakPolarHBondContact O-CB 3.41Å; W601-A604 PolarHBondContact O-N 2.95Å; A604-T607 WeakPolarHBondContact O-CB 3.44Å; A604-T607 PolarHBondContact O-N 2.86Å; A604-R608 PolarHBondContact O-N 3.33Å
605	Y	97.4	Very high	94.9	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-58.5	-48.4	174.2	178.9	-120.4	0	0	0	111.9	L468 L470 L481 L503 L507 L519 W601 L602 T607 R608 L609	L468-Y605 HydrophobicContact CB-CE2 4.26Å; L468-Y605 WeakPolarHBondContact O-CE2 3.49Å; L468-Y605 PolarHBondContact O-OH 3.09Å; L470-Y605 HydrophobicContact CD2-CE2 4.08Å; L481-Y605 HydrophobicContact CD2-CD2 4.03Å; L503-Y605 HydrophobicContact CD1-CD1 4.08Å; L503-Y605 HydrophobicContact CD1-CE1 3.74Å; L503-Y605 HydrophobicContact CD2-CE1 4.39Å; L503-Y605 HydrophobicContact CG-CE1 4.34Å; L507-Y605 HydrophobicContact CD2-CE1 4.21Å; L519-Y605 HydrophobicContact CD1-CD1 3.77Å; L519-Y605 HydrophobicContact CD1-CE1 4.24Å; W601-Y605 HydrophobicContact CH2-CD1 4.37Å; W601-Y605 HydrophobicContact CH2-CD2 4.13Å; W601-Y605 AromaticContact CH2-CG 3.92Å; W601-Y605 HydrophobicContact CH2-CG 3.92Å; W601-Y605 HydrophobicContact CZ3-CD1 4.3Å; W601-Y605 HydrophobicContact CZ3-CG 4.12Å; W601-Y605 PolarHBondContact O-N 3.08Å; L602-Y605 HydrophobicContact CD2-CD1 4.38Å; L602-Y605 PolarHBondContact O-N 2.95Å; Y605-T607 VanDerWaalsContact C-N 3.31Å; Y605-T607 PolarHBondContact O-N 2.97Å; Y605-R608 CarbonylContact O-C 3.57Å; Y605-R608 WeakPolarHBondContact O-CA 3.28Å; Y605-R608 WeakPolarHBondContact O-CB 3.28Å; Y605-R608 PolarHBondContact O-N 2.73Å; Y605-L609 HydrophobicContact CD1-CD1 4Å; Y605-L609 HydrophobicContact CD1-CG 4.43Å; Y605-L609 HydrophobicContact CD2-CG 4.37Å; Y605-L609 HydrophobicContact CE1-CD1 3.51Å; Y605-L609 HydrophobicContact CE1-CD2 4.47Å; Y605-L609 HydrophobicContact CE1-CG 4.09Å; Y605-L609 HydrophobicContact CE2-CD1 4.35Å; Y605-L609 HydrophobicContact CE2-CD2 3.93Å; Y605-L609 HydrophobicContact CE2-CG 4.04Å; Y605-L609 WeakPolarHBondContact O-CG 3.49Å; Y605-L609 PolarHBondContact O-N 2.83Å
606	K	93.7	Very high	94.2	Very high	42 Å²	42	57.8 Å²	57.8	18%	0.183	27%	0.272	C	S	.	.	H	α-helix	trans	-57.7	-44.1	175.5	-169.2	-172.9	-177.7	-165	0	111.7	D517 L519 L602 R608 L609 K610	D517-K606 VanDerWaalsContact O-CE 3.24Å; D517-K606 WeakPolarHBondContact O-CE 3.23Å; D517-K606 PolarHBondContact O-NZ 3.36Å; D517-K606 IonicContact OD1-NZ 2.66Å; D517-K606 PolarHBondContact OD1-NZ 3.32Å; D517-K606 IonicContact OD2-NZ 2.76Å; D517-K606 PolarHBondContact OD2-NZ 3.37Å; L519-K606 HydrophobicContact CD1-CB 4.02Å; L602-K606 WeakPolarHBondContact O-CB 3.48Å; L602-K606 PolarHBondContact O-N 3.28Å; K606-R608 PolarHBondContact O-N 3.1Å; K606-L609 WeakPolarHBondContact O-CB 3.48Å; K606-L609 PolarHBondContact O-N 2.95Å; K606-K610 WeakPolarHBondContact O-CG 3.35Å; K606-K610 PolarHBondContact O-N 3.22Å
607	T	94.5	Very high	93.4	Very high	87 Å²	87	56.1 Å²	56.1	53%	0.534	29%	0.285	S	S	.	.	H	α-helix	trans	-60.3	-40.1	177.9	-57.1	0	0	0	0	110.6	R603 A604 Y605 K610	R603-T607 PolarHBondContact O-N 3.46Å; R603-T607 PolarHBondContact O-OG1 3.38Å; A604-T607 WeakPolarHBondContact O-CB 3.44Å; A604-T607 PolarHBondContact O-N 2.86Å; Y605-T607 VanDerWaalsContact C-N 3.31Å; Y605-T607 PolarHBondContact O-N 2.97Å; T607-K610 PolarHBondContact O-N 3.37Å
608	R	95.6	Very high	92.8	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.015	29%	0.292	C	S	.	.	H	α-helix	trans	-67.7	-38.4	175.1	178.2	55.6	-175	86.6	6.5	113.1	L470 Y472 D478 L481 A604 Y605 K606 K610 I611 D612	L470-R608 HydrophobicContact CD1-CG 4.32Å; L470-R608 HydrophobicContact CD2-CG 4.08Å; Y472-R608 PolarHBondContact O-NH2 3.49Å; D478-R608 IonicContact OD1-CZ 3.67Å; D478-R608 VanDerWaalsContact OD1-CZ 3.31Å; D478-R608 IonicContact OD1-NE 2.8Å; D478-R608 PolarHBondContact OD1-NE 3.05Å; D478-R608 IonicContact OD1-NH2 3.77Å; D478-R608 PolarHBondContact OD1-NH2 2.93Å; D478-R608 IonicContact OD2-NH2 3.72Å; L481-R608 HydrophobicContact CD2-CB 4.15Å; L481-R608 HydrophobicContact CD2-CG 4.02Å; A604-R608 PolarHBondContact O-N 3.33Å; Y605-R608 CarbonylContact O-C 3.57Å; Y605-R608 WeakPolarHBondContact O-CA 3.28Å; Y605-R608 WeakPolarHBondContact O-CB 3.28Å; Y605-R608 PolarHBondContact O-N 2.73Å; K606-R608 PolarHBondContact O-N 3.1Å; R608-K610 VanDerWaalsContact C-N 3.32Å; R608-K610 PolarHBondContact O-N 2.69Å; R608-I611 WeakPolarHBondContact O-CB 3.25Å; R608-I611 PolarHBondContact O-N 2.65Å; R608-D612 IonicContact CZ-OD1 2.72Å; R608-D612 IonicContact NH1-OD1 3.32Å; R608-D612 PolarHBondContact NH1-OD1 2.82Å; R608-D612 IonicContact NH2-OD1 3.03Å
609	L	93.6	Very high	92.2	Very high	3 Å²	3	62.1 Å²	62.1	2%	0.016	32%	0.317	C	S	.	.	H	α-helix	trans	-63.3	-35.6	175.8	-71.2	-178.7	0	0	0	112.7	L470 L507 Y605 K606 I611 D612 F613	L470-L609 HydrophobicContact CD2-CD2 3.75Å; L507-L609 HydrophobicContact CD2-CD1 4Å; Y605-L609 HydrophobicContact CD1-CD1 4Å; Y605-L609 HydrophobicContact CD1-CG 4.43Å; Y605-L609 HydrophobicContact CD2-CG 4.37Å; Y605-L609 HydrophobicContact CE1-CD1 3.51Å; Y605-L609 HydrophobicContact CE1-CD2 4.47Å; Y605-L609 HydrophobicContact CE1-CG 4.09Å; Y605-L609 HydrophobicContact CE2-CD1 4.35Å; Y605-L609 HydrophobicContact CE2-CD2 3.93Å; Y605-L609 HydrophobicContact CE2-CG 4.04Å; Y605-L609 WeakPolarHBondContact O-CG 3.49Å; Y605-L609 PolarHBondContact O-N 2.83Å; K606-L609 WeakPolarHBondContact O-CB 3.48Å; K606-L609 PolarHBondContact O-N 2.95Å; L609-I611 PolarHBondContact O-N 3.13Å; L609-D612 WeakPolarHBondContact O-CA 3.4Å; L609-D612 WeakPolarHBondContact O-CB 3.01Å; L609-D612 PolarHBondContact O-N 3.21Å; L609-F613 HydrophobicContact CB-CD2 4.17Å; L609-F613 HydrophobicContact CB-CE2 3.81Å; L609-F613 VanDerWaalsContact O-CD2 3.24Å; L609-F613 WeakPolarHBondContact O-CD2 3.42Å; L609-F613 PolarHBondContact O-N 3.36Å
610	K	91.4	Very high	91.5	Very high	96 Å²	96	64.3 Å²	64.3	42%	0.417	33%	0.329	S	S	.	.	H	α-helix	trans	-55.4	-36.6	176.2	-72.3	-178.7	176.9	-169	0	112.9	K606 T607 R608 D612 F613 E614	K606-K610 WeakPolarHBondContact O-CG 3.35Å; K606-K610 PolarHBondContact O-N 3.22Å; T607-K610 PolarHBondContact O-N 3.37Å; R608-K610 VanDerWaalsContact C-N 3.32Å; R608-K610 PolarHBondContact O-N 2.69Å; K610-D612 VanDerWaalsContact C-N 3.25Å; K610-D612 PolarHBondContact O-N 2.62Å; K610-F613 PolarHBondContact O-N 3.3Å; K610-F613 VanDerWaalsContact O-N 3.17Å; K610-E614 WeakPolarHBondContact O-CB 3.36Å; K610-E614 VanDerWaalsContact O-CG 3.28Å; K610-E614 WeakPolarHBondContact O-CG 3.43Å; K610-E614 PolarHBondContact O-N 2.97Å
611	I	93.6	Very high	90.9	Very high	43 Å²	43	64.4 Å²	64.4	22%	0.221	33%	0.325	C	S	.	.	H	α-helix	trans	-61.5	-36.3	176.3	-60.3	166.8	0	0	0	111.4	I477 R608 L609 R615	I477-I611 HydrophobicContact CD1-CD1 4.38Å; R608-I611 WeakPolarHBondContact O-CB 3.25Å; R608-I611 PolarHBondContact O-N 2.65Å; L609-I611 PolarHBondContact O-N 3.13Å; I611-R615 WeakPolarHBondContact O-CG 3.26Å
612	D	93	Very high	90.5	Very high	1 Å²	1	66.5 Å²	66.5	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-72.6	-44.7	174.7	-71.1	3.9	0	0	0	110.8	L470 F471 Y472 R608 L609 K610 E614 R615 N616 R627	L470-D612 WeakPolarHBondContact CA-OD2 3.3Å; F471-D612 PolarHBondContact N-OD2 3.09Å; Y472-D612 HydrophobicContact CD2-CB 3.99Å; Y472-D612 WeakPolarHBondContact CD2-OD1 3.38Å; Y472-D612 HydrophobicContact CE2-CB 4.27Å; Y472-D612 PolarHBondContact N-OD1 3.43Å; R608-D612 IonicContact CZ-OD1 2.72Å; R608-D612 IonicContact NH1-OD1 3.32Å; R608-D612 PolarHBondContact NH1-OD1 2.82Å; R608-D612 IonicContact NH2-OD1 3.03Å; L609-D612 WeakPolarHBondContact O-CA 3.4Å; L609-D612 WeakPolarHBondContact O-CB 3.01Å; L609-D612 PolarHBondContact O-N 3.21Å; K610-D612 VanDerWaalsContact C-N 3.25Å; K610-D612 PolarHBondContact O-N 2.62Å; D612-E614 VanDerWaalsContact C-N 3.3Å; D612-E614 PolarHBondContact O-N 3.41Å; D612-R615 PolarHBondContact O-N 3.38Å; D612-R615 VanDerWaalsContact O-N 3.09Å; D612-N616 PolarHBondContact O-N 3.47Å; D612-R627 IonicContact OD2-CZ 3.62Å; D612-R627 IonicContact OD2-NH1 2.68Å; D612-R627 PolarHBondContact OD2-NH1 2.93Å; D612-R627 IonicContact OD2-NH2 2.66Å
613	F	89.9	Confident	90.1	Very high	47 Å²	47	66.9 Å²	66.9	21%	0.206	34%	0.34	C	S	.	.	H	α-helix	trans	-59.2	-38.4	178.9	-68.9	-55.8	0	0	0	113.1	L609 K610 R615 N616 T620 Q623 I624	L609-F613 HydrophobicContact CB-CD2 4.17Å; L609-F613 HydrophobicContact CB-CE2 3.81Å; L609-F613 VanDerWaalsContact O-CD2 3.24Å; L609-F613 WeakPolarHBondContact O-CD2 3.42Å; L609-F613 PolarHBondContact O-N 3.36Å; K610-F613 PolarHBondContact O-N 3.3Å; K610-F613 VanDerWaalsContact O-N 3.17Å; F613-R615 VanDerWaalsContact C-N 3.27Å; F613-R615 PolarHBondContact O-N 3.16Å; F613-N616 VanDerWaalsContact O-O 3.04Å; F613-T620 HydrophobicContact CE1-CG2 4.41Å; F613-Q623 HydrophobicContact CD1-CB 3.94Å; F613-Q623 HydrophobicContact CD1-CG 4.44Å; F613-Q623 HydrophobicContact CE1-CB 3.77Å; F613-Q623 PolarHBondContact O-NE2 2.69Å; F613-I624 HydrophobicContact CE1-CG1 4.26Å; F613-I624 HydrophobicContact CZ-CG1 4.14Å
614	E	89.4	Confident	89.8	Confident	159 Å²	159	59.7 Å²	59.7	74%	0.743	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-19.5	178.5	-72.6	167.9	-174.1	0	0	113.3	K610 D612	K610-E614 WeakPolarHBondContact O-CB 3.36Å; K610-E614 VanDerWaalsContact O-CG 3.28Å; K610-E614 WeakPolarHBondContact O-CG 3.43Å; K610-E614 PolarHBondContact O-N 2.97Å; D612-E614 VanDerWaalsContact C-N 3.3Å; D612-E614 PolarHBondContact O-N 3.41Å
615	R	88.8	Confident	89.5	Confident	140 Å²	140	59.4 Å²	59.4	53%	0.528	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-23	-178.8	-81.8	-174.2	168.6	-154.9	-6.5	114	Y472 I611 D612 F613	Y472-R615 HydrophobicContact CD2-CB 3.91Å; Y472-R615 HydrophobicContact CE1-CB 4.46Å; Y472-R615 HydrophobicContact CE2-CB 3.54Å; Y472-R615 HydrophobicContact CG-CB 4.49Å; I611-R615 WeakPolarHBondContact O-CG 3.26Å; D612-R615 PolarHBondContact O-N 3.38Å; D612-R615 VanDerWaalsContact O-N 3.09Å; F613-R615 VanDerWaalsContact C-N 3.27Å; F613-R615 PolarHBondContact O-N 3.16Å
616	N	82	Confident	89.3	Confident	33 Å²	33	63 Å²	63	18%	0.176	33%	0.325	C	S	.	.			trans	-102.8	128.1	176.4	-173.8	-9.3	0	0	0	109.8	D612 F613 D618 Q623	D612-N616 PolarHBondContact O-N 3.47Å; F613-N616 VanDerWaalsContact O-O 3.04Å; N616-D618 VanDerWaalsContact C-N 3.26Å; N616-D618 PolarHBondContact ND2-OD2 2.82Å; N616-D618 PolarHBondContact O-N 2.66Å; N616-D618 WeakPolarHBondContact OD1-CB 3.33Å; N616-D618 PolarHBondContact OD1-N 3.43Å; N616-D618 PolarHBondContact OD1-OD2 2.88Å; N616-D618 VanDerWaalsContact OD1-OD2 3.08Å; N616-Q623 HydrophobicContact CB-CG 4.36Å; N616-Q623 PolarHBondContact O-NE2 3.11Å
617	S	81.2	Confident	89.3	Confident	124 Å²	124	61 Å²	61	87%	0.867	32%	0.317	S	S	*	.			trans	-75.1	-10	177.6	51.7	0	0	0	0	114.3
618	D	85.4	Confident	89.3	Confident	68 Å²	68	57.3 Å²	57.3	36%	0.364	29%	0.293	S	S	.	.	S	Bend	trans	-63.8	154.9	178	-67.2	-33.9	0	0	0	111.7	N616 T622 Q623	N616-D618 VanDerWaalsContact C-N 3.26Å; N616-D618 PolarHBondContact ND2-OD2 2.82Å; N616-D618 PolarHBondContact O-N 2.66Å; N616-D618 WeakPolarHBondContact OD1-CB 3.33Å; N616-D618 PolarHBondContact OD1-N 3.43Å; N616-D618 PolarHBondContact OD1-OD2 2.88Å; N616-D618 VanDerWaalsContact OD1-OD2 3.08Å; D618-T622 HydrophobicContact CB-CG2 4.15Å; D618-Q623 HydrophobicContact CB-CG 3.91Å; D618-Q623 PolarHBondContact O-NE2 3.04Å
619	N	85.2	Confident	89.2	Confident	96 Å²	96	61.7 Å²	61.7	51%	0.513	32%	0.317	S	S	.	.			trans	-64.2	153.1	175	71.6	70	0	0	0	111.2	K621 T622 Q623	N619-K621 PolarHBondContact O-N 3.48Å; N619-K621 VanDerWaalsContact O-N 3.1Å; N619-K621 WeakPolarHBondContact OD1-CA 3.4Å; N619-K621 VanDerWaalsContact OD1-CB 3.27Å; N619-K621 WeakPolarHBondContact OD1-CB 3.4Å; N619-K621 PolarHBondContact OD1-N 3.28Å; N619-T622 PolarHBondContact ND2-OG1 2.94Å; N619-T622 VanDerWaalsContact ND2-OG1 3.08Å; N619-T622 PolarHBondContact O-N 3.1Å; N619-T622 VanDerWaalsContact O-N 3.11Å; N619-T622 PolarHBondContact OD1-N 3.18Å; N619-T622 PolarHBondContact OD1-OG1 3.39Å; N619-Q623 WeakPolarHBondContact O-CG 3.43Å; N619-Q623 PolarHBondContact O-N 2.91Å; N619-Q623 VanDerWaalsContact O-N 3.1Å
620	T	83	Confident	89.4	Confident	86 Å²	86	63.2 Å²	63.2	53%	0.528	33%	0.325	S	S	.	.	H	α-helix	trans	-52.5	-37.1	-177.5	-53.5	0	0	0	0	113.1	F613 Q623 I624	F613-T620 HydrophobicContact CE1-CG2 4.41Å; T620-Q623 PolarHBondContact O-N 3.37Å; T620-I624 HydrophobicContact CG2-CD1 3.76Å; T620-I624 HydrophobicContact CG2-CG1 4.39Å; T620-I624 WeakPolarHBondContact O-CD1 3.28Å; T620-I624 VanDerWaalsContact O-CG1 3.25Å; T620-I624 WeakPolarHBondContact O-CG1 3.35Å; T620-I624 PolarHBondContact O-N 3.3Å
621	K	84.5	Confident	89.6	Confident	108 Å²	108	58.6 Å²	58.6	47%	0.47	31%	0.305	S	S	.	.	H	α-helix	trans	-67	-45.2	-178.7	-167.5	171.4	-175.3	167.1	0	111.7	F511 N619 I624 S625	F511-K621 HydrophobicContact CD2-CG 3.62Å; F511-K621 HydrophobicContact CE2-CB 4.33Å; F511-K621 HydrophobicContact CE2-CD 4.03Å; F511-K621 HydrophobicContact CE2-CG 3.14Å; F511-K621 WeakPolarHBondContact CE2-O 3.46Å; F511-K621 HydrophobicContact CZ-CD 4.07Å; F511-K621 HydrophobicContact CZ-CG 3.68Å; N619-K621 PolarHBondContact O-N 3.48Å; N619-K621 VanDerWaalsContact O-N 3.1Å; N619-K621 WeakPolarHBondContact OD1-CA 3.4Å; N619-K621 VanDerWaalsContact OD1-CB 3.27Å; N619-K621 WeakPolarHBondContact OD1-CB 3.4Å; N619-K621 PolarHBondContact OD1-N 3.28Å; K621-I624 PolarHBondContact O-N 3.47Å; K621-S625 PolarHBondContact O-N 3.46Å
622	T	88.4	Confident	89.7	Confident	52 Å²	52	58.7 Å²	58.7	32%	0.319	31%	0.305	S	S	.	.	H	α-helix	trans	-59.1	-48.5	173.2	-61.1	0	0	0	0	110.6	D618 N619 I624 S625 E626	D618-T622 HydrophobicContact CB-CG2 4.15Å; N619-T622 PolarHBondContact ND2-OG1 2.94Å; N619-T622 VanDerWaalsContact ND2-OG1 3.08Å; N619-T622 PolarHBondContact O-N 3.1Å; N619-T622 VanDerWaalsContact O-N 3.11Å; N619-T622 PolarHBondContact OD1-N 3.18Å; N619-T622 PolarHBondContact OD1-OG1 3.39Å; T622-I624 VanDerWaalsContact C-N 3.34Å; T622-I624 PolarHBondContact O-N 3.43Å; T622-S625 WeakPolarHBondContact O-CB 3.24Å; T622-S625 PolarHBondContact O-N 2.87Å; T622-S625 VanDerWaalsContact O-N 3.09Å; T622-E626 HydrophobicContact CG2-CG 4.48Å; T622-E626 WeakPolarHBondContact O-CG 3.23Å; T622-E626 PolarHBondContact O-N 2.93Å
623	Q	89.2	Confident	89.8	Confident	10 Å²	10	61.8 Å²	61.8	5%	0.047	33%	0.327	C	S	.	.	H	α-helix	trans	-62.3	-38	-178.9	-64.1	-164.6	48.3	0	0	113.2	F613 N616 D618 N619 T620 R627	F613-Q623 HydrophobicContact CD1-CB 3.94Å; F613-Q623 HydrophobicContact CD1-CG 4.44Å; F613-Q623 HydrophobicContact CE1-CB 3.77Å; F613-Q623 PolarHBondContact O-NE2 2.69Å; N616-Q623 HydrophobicContact CB-CG 4.36Å; N616-Q623 PolarHBondContact O-NE2 3.11Å; D618-Q623 HydrophobicContact CB-CG 3.91Å; D618-Q623 PolarHBondContact O-NE2 3.04Å; N619-Q623 WeakPolarHBondContact O-CG 3.43Å; N619-Q623 PolarHBondContact O-N 2.91Å; N619-Q623 VanDerWaalsContact O-N 3.1Å; T620-Q623 PolarHBondContact O-N 3.37Å; Q623-R627 WeakPolarHBondContact O-CB 3.45Å; Q623-R627 PolarHBondContact O-N 3.49Å; Q623-R627 VanDerWaalsContact O-N 3.14Å
624	I	89.2	Confident	90.2	Very high	4 Å²	4	60.6 Å²	60.6	2%	0.021	32%	0.323	C	S	.	.	H	α-helix	trans	-68.1	-41.7	174	-65.2	160.3	0	0	0	110.5	L510 F511 F613 T620 K621 T622 E626 R627 L628	L510-I624 HydrophobicContact CD2-CD1 3.68Å; L510-I624 HydrophobicContact CD2-CG1 4.34Å; L510-I624 HydrophobicContact CG-CD1 4.38Å; F511-I624 HydrophobicContact CB-CG2 3.84Å; F511-I624 HydrophobicContact CD2-CB 4.15Å; F511-I624 HydrophobicContact CD2-CG2 4.03Å; F511-I624 HydrophobicContact CG-CG2 4.41Å; F613-I624 HydrophobicContact CE1-CG1 4.26Å; F613-I624 HydrophobicContact CZ-CG1 4.14Å; T620-I624 HydrophobicContact CG2-CD1 3.76Å; T620-I624 HydrophobicContact CG2-CG1 4.39Å; T620-I624 WeakPolarHBondContact O-CD1 3.28Å; T620-I624 VanDerWaalsContact O-CG1 3.25Å; T620-I624 WeakPolarHBondContact O-CG1 3.35Å; T620-I624 PolarHBondContact O-N 3.3Å; K621-I624 PolarHBondContact O-N 3.47Å; T622-I624 VanDerWaalsContact C-N 3.34Å; T622-I624 PolarHBondContact O-N 3.43Å; I624-E626 PolarHBondContact O-N 3.19Å; I624-R627 WeakPolarHBondContact O-CB 3.37Å; I624-R627 PolarHBondContact O-N 3.36Å; I624-L628 HydrophobicContact CG2-CD1 3.97Å; I624-L628 HydrophobicContact CG2-CG 4.28Å; I624-L628 WeakPolarHBondContact O-CG 3.2Å; I624-L628 PolarHBondContact O-N 3.4Å
625	S	90.2	Very high	90.5	Very high	44 Å²	44	53 Å²	53	31%	0.308	29%	0.288	S	S	.	.	H	α-helix	trans	-60.4	-44.7	177.8	-169.8	0	0	0	0	112.1	K621 T622 R627 L628 N629	K621-S625 PolarHBondContact O-N 3.46Å; T622-S625 WeakPolarHBondContact O-CB 3.24Å; T622-S625 PolarHBondContact O-N 2.87Å; T622-S625 VanDerWaalsContact O-N 3.09Å; S625-R627 VanDerWaalsContact C-N 3.32Å; S625-R627 PolarHBondContact O-N 3.26Å; S625-L628 PolarHBondContact O-N 3.41Å; S625-N629 VanDerWaalsContact O-CG 3.26Å; S625-N629 PolarHBondContact O-N 2.87Å; S625-N629 PolarHBondContact O-ND2 3.22Å
626	E	93.1	Very high	90.9	Very high	75 Å²	75	46.6 Å²	46.6	35%	0.35	26%	0.264	S	S	.	.	H	α-helix	trans	-63.1	-40.3	176.5	-70.4	179.6	165.1	0	0	111.8	F471 T622 I624 N629 L630	F471-E626 HydrophobicContact CZ-CB 4.14Å; T622-E626 HydrophobicContact CG2-CG 4.48Å; T622-E626 WeakPolarHBondContact O-CG 3.23Å; T622-E626 PolarHBondContact O-N 2.93Å; I624-E626 PolarHBondContact O-N 3.19Å; E626-N629 PolarHBondContact O-N 3.36Å; E626-L630 PolarHBondContact O-N 2.95Å
627	R	94.6	Very high	91.4	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.008	26%	0.259	C	S	.	.	H	α-helix	trans	-62.6	-44.9	176.2	-163	174.1	-52	-78.4	-3.9	112	G469 F471 D612 Q623 I624 S625 L630 M631	G469-R627 WeakPolarHBondContact O-CD 3.34Å; G469-R627 WeakPolarHBondContact O-CG 3.42Å; G469-R627 PolarHBondContact O-NH1 3.11Å; F471-R627 HydrophobicContact CE2-CB 4.09Å; F471-R627 HydrophobicContact CE2-CG 4.35Å; D612-R627 IonicContact OD2-CZ 3.62Å; D612-R627 IonicContact OD2-NH1 2.68Å; D612-R627 PolarHBondContact OD2-NH1 2.93Å; D612-R627 IonicContact OD2-NH2 2.66Å; Q623-R627 WeakPolarHBondContact O-CB 3.45Å; Q623-R627 PolarHBondContact O-N 3.49Å; Q623-R627 VanDerWaalsContact O-N 3.14Å; I624-R627 WeakPolarHBondContact O-CB 3.37Å; I624-R627 PolarHBondContact O-N 3.36Å; S625-R627 VanDerWaalsContact C-N 3.32Å; S625-R627 PolarHBondContact O-N 3.26Å; R627-L630 PolarHBondContact O-N 3.4Å; R627-M631 HydrophobicContact CG-SD 4.21Å; R627-M631 VanDerWaalsContact O-CG 3.26Å; R627-M631 WeakPolarHBondContact O-CG 3.07Å; R627-M631 PolarHBondContact O-N 2.98Å
628	L	93.9	Very high	92	Very high	8 Å²	8	40.5 Å²	40.5	4%	0.042	22%	0.221	C	C	.	.	H	α-helix	trans	-62.8	-44.6	175.4	-72.8	172	0	0	0	111.1	E504 L507 F508 I624 S625 L630 M631 Q632	E504-L628 HydrophobicContact CB-CD2 4.14Å; E504-L628 WeakPolarHBondContact O-CD2 3.29Å; L507-L628 HydrophobicContact CB-CD2 3.95Å; F508-L628 HydrophobicContact CB-CD1 4.24Å; F508-L628 HydrophobicContact CD2-CD1 3.91Å; I624-L628 HydrophobicContact CG2-CD1 3.97Å; I624-L628 HydrophobicContact CG2-CG 4.28Å; I624-L628 WeakPolarHBondContact O-CG 3.2Å; I624-L628 PolarHBondContact O-N 3.4Å; S625-L628 PolarHBondContact O-N 3.41Å; L628-L630 VanDerWaalsContact C-N 3.31Å; L628-L630 PolarHBondContact O-N 2.89Å; L628-M631 PolarHBondContact O-N 3.49Å; L628-Q632 WeakPolarHBondContact O-CB 3.41Å; L628-Q632 WeakPolarHBondContact O-CG 3.41Å; L628-Q632 PolarHBondContact O-N 3.35Å
629	N	94.5	Very high	92.4	Very high	96 Å²	96	37.3 Å²	37.3	51%	0.513	20%	0.204	S	C	.	.	H	α-helix	trans	-59	-42.6	176	-71.9	-19.6	0	0	0	111.8	S625 E626 S633	S625-N629 VanDerWaalsContact O-CG 3.26Å; S625-N629 PolarHBondContact O-N 2.87Å; S625-N629 PolarHBondContact O-ND2 3.22Å; E626-N629 PolarHBondContact O-N 3.36Å; N629-S633 PolarHBondContact O-N 3.49Å; N629-S633 VanDerWaalsContact O-N 3.07Å
630	L	96.3	Very high	92.9	Very high	35 Å²	35	32.8 Å²	32.8	18%	0.183	18%	0.179	C	C	.	.	H	α-helix	trans	-61.5	-53	175.6	176.1	60.2	0	0	0	111.3	K466 F471 E626 R627 L628 Q632 S633	K466-L630 HydrophobicContact CB-CD1 4.18Å; K466-L630 HydrophobicContact CB-CG 4.42Å; K466-L630 HydrophobicContact CG-CD1 4.1Å; F471-L630 HydrophobicContact CD1-CD2 4.42Å; F471-L630 HydrophobicContact CE1-CD2 3.92Å; F471-L630 HydrophobicContact CE2-CD2 4.31Å; F471-L630 HydrophobicContact CZ-CB 4.18Å; F471-L630 HydrophobicContact CZ-CD2 3.86Å; E626-L630 PolarHBondContact O-N 2.95Å; R627-L630 PolarHBondContact O-N 3.4Å; L628-L630 VanDerWaalsContact C-N 3.31Å; L628-L630 PolarHBondContact O-N 2.89Å; L630-Q632 VanDerWaalsContact C-N 3.33Å; L630-Q632 PolarHBondContact O-N 3.45Å; L630-S633 PolarHBondContact O-N 2.91Å; L630-S633 PolarHBondContact O-OG 3.46Å
631	M	97.1	Very high	93.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-58.6	-46.3	-179.8	-70.2	172.7	76.4	0	0	111.2	K467 L503 E504 L507 R627 L628 S633 V634 N635	K467-M631 WeakPolarHBondContact O-CE 3.47Å; L503-M631 HydrophobicContact CB-CE 4.27Å; L503-M631 HydrophobicContact CD2-CE 3.92Å; L503-M631 HydrophobicContact CG-CE 3.93Å; E504-M631 HydrophobicContact CG-CB 3.83Å; E504-M631 HydrophobicContact CG-CE 3.58Å; E504-M631 HydrophobicContact CG-SD 4.25Å; L507-M631 HydrophobicContact CD1-CE 3.97Å; L507-M631 HydrophobicContact CD1-SD 3.44Å; L507-M631 WeakPolarHBondContact CD1-SD 3.46Å; R627-M631 HydrophobicContact CG-SD 4.21Å; R627-M631 VanDerWaalsContact O-CG 3.26Å; R627-M631 WeakPolarHBondContact O-CG 3.07Å; R627-M631 PolarHBondContact O-N 2.98Å; L628-M631 PolarHBondContact O-N 3.49Å; M631-S633 PolarHBondContact O-N 3.24Å; M631-V634 WeakPolarHBondContact O-CG2 3.22Å; M631-V634 PolarHBondContact O-N 3.11Å; M631-N635 WeakPolarHBondContact O-CB 3.35Å; M631-N635 PolarHBondContact O-N 3.2Å; M631-N635 PolarHBondContact O-ND2 3.37Å
632	Q	94.6	Very high	93.8	Very high	45 Å²	45	25 Å²	25	21%	0.21	14%	0.139	C	C	.	.	H	α-helix	trans	-63.2	-22.2	177	-73.4	179.1	3	0	0	113.6	E504 L628 L630 V634 R637	E504-Q632 VanDerWaalsContact OE2-CG 3.28Å; E504-Q632 WeakPolarHBondContact OE2-CG 3.34Å; L628-Q632 WeakPolarHBondContact O-CB 3.41Å; L628-Q632 WeakPolarHBondContact O-CG 3.41Å; L628-Q632 PolarHBondContact O-N 3.35Å; L630-Q632 VanDerWaalsContact C-N 3.33Å; L630-Q632 PolarHBondContact O-N 3.45Å; Q632-V634 VanDerWaalsContact C-N 3.34Å; Q632-R637 VanDerWaalsContact CB-NH2 3.27Å; Q632-R637 VanDerWaalsContact CG-NH2 3.29Å; Q632-R637 PolarHBondContact O-NH1 3.12Å
633	S	95.6	Very high	94.1	Very high	66 Å²	66	23.2 Å²	23.2	46%	0.462	13%	0.127	S	C	.	.	H	α-helix	trans	-81.1	-13.7	174.9	74.3	0	0	0	0	113.7	N629 L630 M631	N629-S633 PolarHBondContact O-N 3.49Å; N629-S633 VanDerWaalsContact O-N 3.07Å; L630-S633 PolarHBondContact O-N 2.91Å; L630-S633 PolarHBondContact O-OG 3.46Å; M631-S633 PolarHBondContact O-N 3.24Å
634	V	97.1	Very high	94.3	Very high	21 Å²	21	23.6 Å²	23.6	13%	0.127	13%	0.129	C	C	.	.	H	α-helix	trans	-129.5	-15.2	-172.8	-57.7	0	0	0	0	115.1	K466 K467 M631 Q632 P636 F671	K466-V634 HydrophobicContact CB-CG1 4.18Å; K466-V634 HydrophobicContact CB-CG2 3.96Å; K467-V634 HydrophobicContact CG-CG2 4.07Å; M631-V634 WeakPolarHBondContact O-CG2 3.22Å; M631-V634 PolarHBondContact O-N 3.11Å; Q632-V634 VanDerWaalsContact C-N 3.34Å; V634-P636 WeakPolarHBondContact O-CD 3.2Å; V634-F671 VanDerWaalsContact C-CE1 3.47Å; V634-F671 WeakPolarHBondContact O-CE1 3.46Å
635	N	97.2	Very high	94.4	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	13%	0.128	C	C	.	.	S	Bend	trans	-95.6	110.3	176.6	-70.4	-33.4	0	0	0	109.6	K467 F500 L501 E504 M631 R637	K467-N635 WeakPolarHBondContact CA-OD1 3.3Å; K467-N635 WeakPolarHBondContact CB-OD1 3.44Å; K467-N635 VanDerWaalsContact CG-OD1 3.3Å; K467-N635 WeakPolarHBondContact CG-OD1 3.46Å; K467-N635 PolarHBondContact NZ-OD1 3.44Å; K467-N635 PolarHBondContact O-ND2 2.86Å; F500-N635 HydrophobicContact CB-CB 4.41Å; L501-N635 HydrophobicContact CD2-CB 4.42Å; E504-N635 WeakPolarHBondContact OE1-CB 3.22Å; E504-N635 PolarHBondContact OE1-ND2 3.38Å; M631-N635 WeakPolarHBondContact O-CB 3.35Å; M631-N635 PolarHBondContact O-N 3.2Å; M631-N635 PolarHBondContact O-ND2 3.37Å; N635-R637 PolarHBondContact O-NH1 3.31Å
636	P	95.9	Very high	94.5	Very high	4 Å²	4	23.9 Å²	23.9	3%	0.026	13%	0.126	C	C	.	.			trans	-70.2	138.8	-179	29.2	-33.6	0	0	0	110.8	L232 T497 V634 V639 P670 F671	L232-P636 HydrophobicContact CD2-CB 3.66Å; L232-P636 HydrophobicContact CD2-CG 3.96Å; T497-P636 WeakPolarHBondContact CG2-O 3.49Å; V634-P636 WeakPolarHBondContact O-CD 3.2Å; P636-V639 HydrophobicContact CB-CG1 4Å; P636-V639 HydrophobicContact CG-CG1 3.65Å; P636-P670 CarbonylContact C-O 3.51Å; P636-P670 WeakPolarHBondContact CA-O 3.46Å; P636-P670 HydrophobicContact CB-CB 4.27Å; P636-F671 HydrophobicContact CB-CD1 4.31Å; P636-F671 HydrophobicContact CB-CE1 4.07Å
637	R	93.6	Very high	94.4	Very high	18 Å²	18	23.9 Å²	23.9	7%	0.068	13%	0.125	C	C	.	.	S	Bend	trans	-81.7	-28.8	170.7	-78.3	59.3	161.3	-158.7	-17.4	111	L501 Q632 N635 P670 F671 N673	L501-R637 HydrophobicContact CD2-CG 4.14Å; Q632-R637 VanDerWaalsContact CB-NH2 3.27Å; Q632-R637 VanDerWaalsContact CG-NH2 3.29Å; Q632-R637 PolarHBondContact O-NH1 3.12Å; N635-R637 PolarHBondContact O-NH1 3.31Å; R637-P670 PolarHBondContact N-O 3.07Å; R637-F671 PolarHBondContact NH1-O 3.34Å; R637-F671 PolarHBondContact NH2-O 3.4Å; R637-F671 VanDerWaalsContact NH2-O 3.13Å; R637-N673 PolarHBondContact NE-OD1 3.3Å; R637-N673 PolarHBondContact NH2-OD1 3.34Å
638	V	92.8	Very high	94.3	Very high	12 Å²	12	23.8 Å²	23.8	7%	0.073	13%	0.125	C	C	.	.			trans	-129	133.9	175.6	61.6	0	0	0	0	110.1	L644 S666 L667 P670 Y691	V638-L644 HydrophobicContact CG2-CD1 4.44Å; V638-S666 WeakPolarHBondContact CG1-O 3.46Å; V638-L667 HydrophobicContact CG2-CD2 4.09Å; V638-P670 HydrophobicContact CG1-CB 4.24Å; V638-Y691 HydrophobicContact CB-CD2 4.45Å; V638-Y691 HydrophobicContact CB-CE2 4.33Å; V638-Y691 HydrophobicContact CG2-CE2 4.47Å
639	V	95.3	Very high	94.2	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	13%	0.125	C	C	.	.			trans	-126	158.8	167	-63.2	0	0	0	0	107.5	F377 T497 P636 R641	F377-V639 HydrophobicContact CB-CB 4.27Å; F377-V639 HydrophobicContact CB-CG2 3.98Å; F377-V639 HydrophobicContact CD1-CB 3.78Å; F377-V639 HydrophobicContact CD1-CG1 4.11Å; F377-V639 HydrophobicContact CD1-CG2 4.31Å; F377-V639 HydrophobicContact CE1-CB 4.25Å; F377-V639 HydrophobicContact CE1-CG1 4.38Å; F377-V639 HydrophobicContact CG-CB 3.98Å; F377-V639 HydrophobicContact CG-CG2 4.26Å; T497-V639 HydrophobicContact CG2-CG1 4.36Å; P636-V639 HydrophobicContact CB-CG1 4Å; P636-V639 HydrophobicContact CG-CG1 3.65Å; V639-R641 HydrophobicContact CG2-CG 3.86Å; V639-R641 PolarHBondContact O-N 2.83Å
640	L	95.5	Very high	94.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.12	C	C	.	.			trans	-75	75.3	179.8	-177.5	64.6	0	0	0	110.7	L224 C225 A228 F375 F377 A645 L663 L667	L224-L640 HydrophobicContact CB-CD1 3.98Å; L224-L640 HydrophobicContact CB-CD2 3.67Å; L224-L640 HydrophobicContact CD1-CD1 4.21Å; C225-L640 VanDerWaalsContact CA-CD2 3.47Å; C225-L640 HydrophobicContact CB-CD2 3.62Å; C225-L640 VanDerWaalsContact N-CD2 3.33Å; A228-L640 HydrophobicContact CB-CB 4.34Å; F375-L640 HydrophobicContact CE2-CD2 3.88Å; F375-L640 HydrophobicContact CE2-CG 4.46Å; F375-L640 HydrophobicContact CZ-CD2 3.87Å; F377-L640 HydrophobicContact CD2-CB 4.07Å; F377-L640 WeakPolarHBondContact CD2-O 3.38Å; F377-L640 HydrophobicContact CE2-CB 4.02Å; L640-A645 HydrophobicContact CD1-CB 4.1Å; L640-L663 HydrophobicContact CD1-CD2 3.93Å; L640-L663 HydrophobicContact CD1-CG 4.45Å; L640-L667 HydrophobicContact CB-CD1 4.39Å; L640-L667 HydrophobicContact CB-CD2 4.25Å; L640-L667 HydrophobicContact CD1-CD1 3.9Å
641	R	93.8	Very high	94	Very high	3 Å²	3	23.2 Å²	23.2	1%	0.011	12%	0.12	C	C	.	.			trans	-63.3	145.3	173.7	-61.2	179.5	-178.7	-95.1	9	109.5	D379 D495 N498 V639 Y643 L644 A645 Y691	D379-R641 VanDerWaalsContact OD1-CD 3.29Å; D379-R641 WeakPolarHBondContact OD1-CD 3.25Å; D379-R641 WeakPolarHBondContact OD1-CG 3.24Å; D379-R641 IonicContact OD1-CZ 3.16Å; D379-R641 IonicContact OD1-NE 3.58Å; D379-R641 IonicContact OD1-NH1 3.01Å; D379-R641 PolarHBondContact OD1-NH1 2.81Å; D495-R641 VanDerWaalsContact CG-NH2 3.32Å; D495-R641 IonicContact OD1-CZ 3.06Å; D495-R641 IonicContact OD1-NH1 2.87Å; D495-R641 IonicContact OD1-NH2 3.65Å; D495-R641 PolarHBondContact OD1-NH2 3.19Å; D495-R641 IonicContact OD2-CZ 3.92Å; D495-R641 VanDerWaalsContact OD2-CZ 3.31Å; D495-R641 IonicContact OD2-NH1 3.18Å; D495-R641 PolarHBondContact OD2-NH1 2.83Å; D495-R641 IonicContact OD2-NH2 3.62Å; D495-R641 PolarHBondContact OD2-NH2 3.4Å; N498-R641 PolarHBondContact OD1-NH2 3.17Å; V639-R641 HydrophobicContact CG2-CG 3.86Å; V639-R641 PolarHBondContact O-N 2.83Å; R641-Y643 HydrophobicContact CB-CD1 3.76Å; R641-Y643 HydrophobicContact CB-CE1 3.83Å; R641-Y643 HydrophobicContact CG-CE1 4.35Å; R641-Y643 PolarHBondContact O-N 2.91Å; R641-L644 HydrophobicContact CB-CD1 4.14Å; R641-L644 HydrophobicContact CB-CG 4.32Å; R641-L644 HydrophobicContact CG-CD1 4.49Å; R641-L644 WeakPolarHBondContact O-CB 3.48Å; R641-L644 PolarHBondContact O-N 3.12Å; R641-L644 VanDerWaalsContact O-N 3.08Å; R641-A645 PolarHBondContact O-N 3.17Å; R641-Y691 VanDerWaalsContact CZ-O 3.31Å; R641-Y691 PolarHBondContact NE-O 3.29Å; R641-Y691 PolarHBondContact NH2-O 3.29Å
642	N	92.6	Very high	93.7	Very high	27 Å²	27	23.3 Å²	23.3	14%	0.144	12%	0.121	C	C	.	.	H	α-helix	trans	-58.7	-35.1	-176	-83	-24.2	0	0	0	112.9	R221 A645 E646 L700	R221-N642 PolarHBondContact NH1-OD1 3.19Å; R221-N642 PolarHBondContact NH2-OD1 3.19Å; N642-A645 PolarHBondContact O-N 2.86Å; N642-E646 WeakPolarHBondContact O-CB 3.34Å; N642-E646 PolarHBondContact O-N 2.87Å; N642-L700 HydrophobicContact CB-CD1 4.37Å
643	Y	93.1	Very high	93.5	Very high	15 Å²	15	25.2 Å²	25.2	6%	0.059	13%	0.132	C	C	.	.	H	α-helix	trans	-68.2	-35.1	178.9	86.5	-94.1	0	0	0	113	R641 E646 E647 P693 P694 S697	R641-Y643 HydrophobicContact CB-CD1 3.76Å; R641-Y643 HydrophobicContact CB-CE1 3.83Å; R641-Y643 HydrophobicContact CG-CE1 4.35Å; R641-Y643 PolarHBondContact O-N 2.91Å; Y643-E646 PolarHBondContact O-N 2.82Å; Y643-E647 WeakPolarHBondContact O-CG 3.21Å; Y643-E647 PolarHBondContact O-N 2.94Å; Y643-P693 HydrophobicContact CD1-CB 4.27Å; Y643-P693 HydrophobicContact CE1-CB 4.46Å; Y643-P694 HydrophobicContact CD2-CG 4.06Å; Y643-P694 HydrophobicContact CG-CG 4.23Å; Y643-S697 VanDerWaalsContact CB-CB 3.48Å
644	L	93.6	Very high	93.3	Very high	18 Å²	18	30.7 Å²	30.7	9%	0.094	15%	0.148	C	C	.	.	H	α-helix	trans	-65.4	-43.7	176.7	-67	171.7	0	0	0	110.2	V638 R641 E646 E647 A648 L663	V638-L644 HydrophobicContact CG2-CD1 4.44Å; R641-L644 HydrophobicContact CB-CD1 4.14Å; R641-L644 HydrophobicContact CB-CG 4.32Å; R641-L644 HydrophobicContact CG-CD1 4.49Å; R641-L644 WeakPolarHBondContact O-CB 3.48Å; R641-L644 PolarHBondContact O-N 3.12Å; R641-L644 VanDerWaalsContact O-N 3.08Å; L644-E646 VanDerWaalsContact C-N 3.34Å; L644-E647 PolarHBondContact O-N 3.25Å; L644-A648 WeakPolarHBondContact O-CB 3.19Å; L644-A648 PolarHBondContact O-N 3.01Å; L644-A648 VanDerWaalsContact O-N 3.08Å; L644-L663 HydrophobicContact CB-CD1 3.96Å; L644-L663 HydrophobicContact CB-CD2 3.94Å; L644-L663 HydrophobicContact CD1-CD1 4.14Å; L644-L663 HydrophobicContact CG-CD1 4.5Å; L644-L663 WeakPolarHBondContact O-CD2 3.47Å
645	A	92.4	Very high	93	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61	-44.2	173.8	0	0	0	0	0	111.3	R221 L640 R641 N642 A648 I649	R221-A645 HydrophobicContact CG-CB 4.15Å; L640-A645 HydrophobicContact CD1-CB 4.1Å; R641-A645 PolarHBondContact O-N 3.17Å; N642-A645 PolarHBondContact O-N 2.86Å; A645-A648 PolarHBondContact O-N 3.17Å; A645-I649 WeakPolarHBondContact O-CD1 3.42Å; A645-I649 WeakPolarHBondContact O-CG1 3.3Å; A645-I649 PolarHBondContact O-N 2.67Å
646	E	91.3	Very high	92.8	Very high	55 Å²	55	35.2 Å²	35.2	26%	0.257	18%	0.182	S	C	.	.	H	α-helix	trans	-62.9	-41.7	179	-175.7	68.7	-170.1	0	0	112.8	N642 Y643 L644 A648 I649 K650 W696 L700	N642-E646 WeakPolarHBondContact O-CB 3.34Å; N642-E646 PolarHBondContact O-N 2.87Å; Y643-E646 PolarHBondContact O-N 2.82Å; L644-E646 VanDerWaalsContact C-N 3.34Å; E646-A648 VanDerWaalsContact C-N 3.35Å; E646-I649 PolarHBondContact O-N 3.05Å; E646-K650 HydrophobicContact CG-CD 4.25Å; E646-K650 WeakPolarHBondContact O-CB 3.42Å; E646-K650 WeakPolarHBondContact O-CG 3.31Å; E646-K650 PolarHBondContact O-N 3.38Å; E646-K650 WeakPolarHBondContact OE1-CE 3.19Å; E646-K650 IonicContact OE1-NZ 3.09Å; E646-W696 HydrophobicContact CB-CH2 4.45Å; E646-W696 HydrophobicContact CG-CH2 4.31Å; E646-W696 HydrophobicContact CG-CZ3 4.25Å; E646-L700 HydrophobicContact CB-CD1 4.13Å; E646-L700 HydrophobicContact CB-CD2 4.34Å; E646-L700 HydrophobicContact CG-CD1 4.42Å; E646-L700 HydrophobicContact CG-CD2 3.81Å
647	E	92.4	Very high	92.7	Very high	74 Å²	74	37.5 Å²	37.5	35%	0.346	19%	0.191	S	C	.	.	H	α-helix	trans	-63.9	-41.1	176.1	-74.8	176.9	164.3	0	0	111.7	Y643 L644 S651 W696	Y643-E647 WeakPolarHBondContact O-CG 3.21Å; Y643-E647 PolarHBondContact O-N 2.94Å; L644-E647 PolarHBondContact O-N 3.25Å; E647-S651 PolarHBondContact O-N 3Å; E647-S651 PolarHBondContact O-OG 3.41Å; E647-W696 HydrophobicContact CG-CH2 4.31Å; E647-W696 HydrophobicContact CG-CZ2 4.17Å
648	A	92.7	Very high	92.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63	-43.9	173.3	0	0	0	0	0	111.7	L220 L644 A645 E646 S651 A652 V659 A660 L663	L220-A648 HydrophobicContact CD2-CB 4.18Å; L644-A648 WeakPolarHBondContact O-CB 3.19Å; L644-A648 PolarHBondContact O-N 3.01Å; L644-A648 VanDerWaalsContact O-N 3.08Å; A645-A648 PolarHBondContact O-N 3.17Å; E646-A648 VanDerWaalsContact C-N 3.35Å; A648-S651 PolarHBondContact O-N 3.33Å; A648-A652 VanDerWaalsContact O-CB 3.27Å; A648-A652 WeakPolarHBondContact O-CB 3.33Å; A648-A652 PolarHBondContact O-N 3.14Å; A648-V659 HydrophobicContact CB-CG1 4.3Å; A648-A660 HydrophobicContact CB-CB 4.05Å; A648-L663 HydrophobicContact CB-CD2 4.04Å
649	I	91.9	Very high	92.4	Very high	6 Å²	6	41.7 Å²	41.7	3%	0.031	22%	0.218	C	C	.	.	H	α-helix	trans	-60.7	-52.2	177	-70.1	163.5	0	0	0	110.9	R217 L220 R221 A645 E646 S651 A652 D653	R217-I649 HydrophobicContact CB-CD1 3.92Å; R217-I649 HydrophobicContact CB-CG1 4.21Å; R217-I649 HydrophobicContact CB-CG2 3.7Å; L220-I649 HydrophobicContact CB-CG1 4.45Å; L220-I649 HydrophobicContact CD2-CG1 3.97Å; R221-I649 HydrophobicContact CG-CD1 3.83Å; A645-I649 WeakPolarHBondContact O-CD1 3.42Å; A645-I649 WeakPolarHBondContact O-CG1 3.3Å; A645-I649 PolarHBondContact O-N 2.67Å; E646-I649 PolarHBondContact O-N 3.05Å; I649-S651 PolarHBondContact O-N 3.21Å; I649-A652 PolarHBondContact O-N 3.08Å; I649-D653 PolarHBondContact O-N 3.34Å
650	K	92.6	Very high	92.3	Very high	94 Å²	94	41.6 Å²	41.6	41%	0.409	22%	0.218	S	C	.	.	H	α-helix	trans	-58.3	-33	-178.8	-77.4	174.4	178	161.8	0	113.2	E646	E646-K650 HydrophobicContact CG-CD 4.25Å; E646-K650 WeakPolarHBondContact O-CB 3.42Å; E646-K650 WeakPolarHBondContact O-CG 3.31Å; E646-K650 PolarHBondContact O-N 3.38Å; E646-K650 WeakPolarHBondContact OE1-CE 3.19Å; E646-K650 IonicContact OE1-NZ 3.09Å
651	S	92.6	Very high	92.1	Very high	28 Å²	28	43.2 Å²	43.2	20%	0.196	23%	0.225	C	C	.	.	H	α-helix	trans	-76.2	-44.1	176.2	-53.2	0	0	0	0	110.5	E647 A648 I649 D653 K654 G655 D656 V659	E647-S651 PolarHBondContact O-N 3Å; E647-S651 PolarHBondContact O-OG 3.41Å; A648-S651 PolarHBondContact O-N 3.33Å; I649-S651 PolarHBondContact O-N 3.21Å; S651-D653 PolarHBondContact O-N 3.36Å; S651-K654 WeakPolarHBondContact O-CB 3.28Å; S651-K654 PolarHBondContact O-N 2.88Å; S651-K654 VanDerWaalsContact O-N 3.08Å; S651-G655 PolarHBondContact O-N 2.84Å; S651-D656 CarbonylContact C-O 3.5Å; S651-D656 WeakPolarHBondContact CB-O 3.4Å; S651-D656 PolarHBondContact O-N 3.17Å; S651-V659 WeakPolarHBondContact OG-CG2 3.39Å
652	A	92	Very high	92	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.008	25%	0.252	C	S	.	.	H	α-helix	trans	-63.8	-36.5	179.6	0	0	0	0	0	113	L216 L220 A648 I649 K654 G655 D656 Y657	L216-A652 HydrophobicContact CD2-CB 3.94Å; L216-A652 HydrophobicContact CG-CB 4.48Å; L220-A652 HydrophobicContact CD2-CB 4.1Å; A648-A652 VanDerWaalsContact O-CB 3.27Å; A648-A652 WeakPolarHBondContact O-CB 3.33Å; A648-A652 PolarHBondContact O-N 3.14Å; I649-A652 PolarHBondContact O-N 3.08Å; A652-K654 PolarHBondContact O-N 2.88Å; A652-G655 WeakPolarHBondContact O-CA 3.35Å; A652-G655 PolarHBondContact O-N 3.02Å; A652-D656 WeakPolarHBondContact CA-O 3.36Å; A652-D656 PolarHBondContact N-O 3.39Å; A652-Y657 HydrophobicContact CB-CD1 3.77Å; A652-Y657 HydrophobicContact CB-CE1 4.01Å; A652-Y657 WeakPolarHBondContact O-CE1 3.24Å
653	D	89.8	Confident	92	Very high	85 Å²	85	48.3 Å²	48.3	46%	0.455	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-28.1	175.4	-75	-21.6	0	0	0	112.5	I649 S651 G655	I649-D653 PolarHBondContact O-N 3.34Å; S651-D653 PolarHBondContact O-N 3.36Å; D653-G655 VanDerWaalsContact C-N 3.26Å
654	K	91.6	Very high	92.1	Very high	181 Å²	181	47.8 Å²	47.8	79%	0.787	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	1.7	173.7	-61.1	173.1	-173.8	173.9	0	113	S651 A652	S651-K654 WeakPolarHBondContact O-CB 3.28Å; S651-K654 PolarHBondContact O-N 2.88Å; S651-K654 VanDerWaalsContact O-N 3.08Å; A652-K654 PolarHBondContact O-N 2.88Å
655	G	90.2	Very high	92	Very high	46 Å²	46	50 Å²	50	47%	0.474	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	8	-177	0	0	0	0	0	114.7	S651 A652 D653	S651-G655 PolarHBondContact O-N 2.84Å; A652-G655 WeakPolarHBondContact O-CA 3.35Å; A652-G655 PolarHBondContact O-N 3.02Å; D653-G655 VanDerWaalsContact C-N 3.26Å
656	D	92.8	Very high	92	Very high	71 Å²	71	52 Å²	52	38%	0.38	27%	0.273	S	S	.	.			trans	-98.6	103.7	175	-179.3	9.2	0	0	0	111	S651 A652 T658	S651-D656 CarbonylContact C-O 3.5Å; S651-D656 WeakPolarHBondContact CB-O 3.4Å; S651-D656 PolarHBondContact O-N 3.17Å; A652-D656 WeakPolarHBondContact CA-O 3.36Å; A652-D656 PolarHBondContact N-O 3.39Å; D656-T658 VanDerWaalsContact OD1-CB 3.29Å; D656-T658 WeakPolarHBondContact OD1-CB 3.48Å; D656-T658 VanDerWaalsContact OD1-CG2 3.27Å; D656-T658 WeakPolarHBondContact OD1-CG2 3.41Å; D656-T658 PolarHBondContact OD1-N 3.32Å; D656-T658 PolarHBondContact OD1-OG1 2.87Å; D656-T658 PolarHBondContact OD2-OG1 2.95Å
657	Y	93.9	Very high	92.1	Very high	52 Å²	52	49.5 Å²	49.5	20%	0.204	26%	0.261	C	S	.	.			trans	-90.9	1.5	-180	-49.6	-41.1	0	0	0	113.6	L108 V109 T244 A652 V659 A660 Q661	L108-Y657 WeakPolarHBondContact O-CE2 3.43Å; V109-Y657 HydrophobicContact CG1-CD1 3.71Å; V109-Y657 HydrophobicContact CG1-CD2 4.46Å; V109-Y657 HydrophobicContact CG1-CE1 4.02Å; V109-Y657 HydrophobicContact CG1-CG 3.97Å; V109-Y657 HydrophobicContact CG2-CE1 4.17Å; V109-Y657 HydrophobicContact CG2-CE2 4.36Å; T244-Y657 WeakPolarHBondContact CG2-OH 3.2Å; A652-Y657 HydrophobicContact CB-CD1 3.77Å; A652-Y657 HydrophobicContact CB-CE1 4.01Å; A652-Y657 WeakPolarHBondContact O-CE1 3.24Å; Y657-V659 PolarHBondContact O-N 3.22Å; Y657-A660 PolarHBondContact O-N 3.41Å; Y657-Q661 WeakPolarHBondContact O-CB 3.42Å; Y657-Q661 PolarHBondContact O-N 3.02Å
658	T	90	Very high	92.3	Very high	77 Å²	77	47.8 Å²	47.8	47%	0.472	26%	0.256	S	S	.	.	H	α-helix	trans	-64.4	-40.7	-175.5	60.5	0	0	0	0	112.6	D656 Q661 Q662	D656-T658 VanDerWaalsContact OD1-CB 3.29Å; D656-T658 WeakPolarHBondContact OD1-CB 3.48Å; D656-T658 VanDerWaalsContact OD1-CG2 3.27Å; D656-T658 WeakPolarHBondContact OD1-CG2 3.41Å; D656-T658 PolarHBondContact OD1-N 3.32Å; D656-T658 PolarHBondContact OD1-OG1 2.87Å; D656-T658 PolarHBondContact OD2-OG1 2.95Å; T658-Q661 PolarHBondContact O-N 3.04Å; T658-Q662 VanDerWaalsContact O-CG 3.31Å; T658-Q662 WeakPolarHBondContact O-CG 3.42Å; T658-Q662 PolarHBondContact O-N 3.21Å
659	V	91.5	Very high	92.3	Very high	41 Å²	41	51.1 Å²	51.1	25%	0.248	28%	0.276	C	S	.	.	H	α-helix	trans	-63.8	-42.6	177	-178.3	0	0	0	0	111	A648 S651 Y657 Q662 L663	A648-V659 HydrophobicContact CB-CG1 4.3Å; S651-V659 WeakPolarHBondContact OG-CG2 3.39Å; Y657-V659 PolarHBondContact O-N 3.22Å; V659-Q662 PolarHBondContact O-N 3.34Å; V659-L663 WeakPolarHBondContact O-CB 3.42Å; V659-L663 PolarHBondContact O-N 3.44Å
660	A	91.6	Very high	92.5	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64.3	-40.4	177	0	0	0	0	0	111.9	L110 L220 A648 Y657 L663 F664	L110-A660 HydrophobicContact CD1-CB 4.03Å; L220-A660 HydrophobicContact CD1-CB 4.11Å; L220-A660 HydrophobicContact CD2-CB 4.11Å; A648-A660 HydrophobicContact CB-CB 4.05Å; Y657-A660 PolarHBondContact O-N 3.41Å; A660-L663 PolarHBondContact O-N 2.7Å; A660-F664 WeakPolarHBondContact O-CB 3.32Å; A660-F664 PolarHBondContact O-N 3.38Å
661	Q	92.2	Very high	92.6	Very high	33 Å²	33	49.1 Å²	49.1	15%	0.154	27%	0.268	C	S	.	.	H	α-helix	trans	-65	-47.8	175.7	-175.5	66.2	64.2	0	0	111.6	L110 Y657 T658 L663 F664 D665	L110-Q661 HydrophobicContact CD2-CB 3.84Å; L110-Q661 HydrophobicContact CD2-CG 4.38Å; Y657-Q661 WeakPolarHBondContact O-CB 3.42Å; Y657-Q661 PolarHBondContact O-N 3.02Å; T658-Q661 PolarHBondContact O-N 3.04Å; Q661-L663 VanDerWaalsContact C-N 3.29Å; Q661-L663 PolarHBondContact O-N 3.36Å; Q661-F664 WeakPolarHBondContact O-CB 3.21Å; Q661-F664 PolarHBondContact O-N 3.23Å; Q661-D665 PolarHBondContact NE2-OD1 3.23Å; Q661-D665 PolarHBondContact O-N 3.28Å
662	Q	91.3	Very high	92.3	Very high	123 Å²	123	53.3 Å²	53.3	58%	0.575	28%	0.283	S	S	*	.	H	α-helix	trans	-60.7	-39	177.4	-72.9	172.2	-2.7	0	0	112.4	T658 V659 S666	T658-Q662 VanDerWaalsContact O-CG 3.31Å; T658-Q662 WeakPolarHBondContact O-CG 3.42Å; T658-Q662 PolarHBondContact O-N 3.21Å; V659-Q662 PolarHBondContact O-N 3.34Å; Q662-S666 WeakPolarHBondContact O-CB 3.44Å; Q662-S666 PolarHBondContact O-N 3.08Å; Q662-S666 PolarHBondContact O-OG 3.14Å
663	L	92.3	Very high	91.5	Very high	14 Å²	14	56.1 Å²	56.1	7%	0.073	30%	0.297	C	S	.	.	H	α-helix	trans	-65.5	-46.1	174.7	178.6	57	0	0	0	111.1	L224 L640 L644 A648 V659 A660 Q661 S666 L667	L224-L663 HydrophobicContact CD1-CD2 3.83Å; L224-L663 HydrophobicContact CD2-CG 4.42Å; L640-L663 HydrophobicContact CD1-CD2 3.93Å; L640-L663 HydrophobicContact CD1-CG 4.45Å; L644-L663 HydrophobicContact CB-CD1 3.96Å; L644-L663 HydrophobicContact CB-CD2 3.94Å; L644-L663 HydrophobicContact CD1-CD1 4.14Å; L644-L663 HydrophobicContact CG-CD1 4.5Å; L644-L663 WeakPolarHBondContact O-CD2 3.47Å; A648-L663 HydrophobicContact CB-CD2 4.04Å; V659-L663 WeakPolarHBondContact O-CB 3.42Å; V659-L663 PolarHBondContact O-N 3.44Å; A660-L663 PolarHBondContact O-N 2.7Å; Q661-L663 VanDerWaalsContact C-N 3.29Å; Q661-L663 PolarHBondContact O-N 3.36Å; L663-S666 PolarHBondContact O-N 3.08Å; L663-L667 HydrophobicContact CD1-CD1 3.98Å; L663-L667 HydrophobicContact CD1-CG 4.2Å; L663-L667 HydrophobicContact CG-CD1 3.91Å; L663-L667 WeakPolarHBondContact O-CD1 3.47Å; L663-L667 VanDerWaalsContact O-CG 3.22Å; L663-L667 WeakPolarHBondContact O-CG 3.39Å; L663-L667 PolarHBondContact O-N 3.31Å
664	F	94.7	Very high	90.2	Very high	5 Å²	5	54.6 Å²	54.6	2%	0.022	29%	0.292	C	S	.	.	H	α-helix	trans	-57.5	-49.8	174.6	173.4	-111.8	0	0	0	111.5	L110 F223 L224 E227 A660 Q661 S666 L667 T668	L110-F664 HydrophobicContact CD1-CB 4.37Å; F223-F664 AromaticContact CE1-CD2 3.62Å; F223-F664 HydrophobicContact CE1-CD2 3.62Å; F223-F664 AromaticContact CE1-CE2 3.84Å; F223-F664 HydrophobicContact CE1-CE2 3.84Å; F223-F664 HydrophobicContact CE1-CG 4.1Å; F223-F664 HydrophobicContact CE1-CZ 4.48Å; F223-F664 HydrophobicContact CZ-CD2 4.32Å; F223-F664 HydrophobicContact CZ-CE2 4.12Å; F223-F664 HydrophobicContact CZ-CZ 4.4Å; L224-F664 HydrophobicContact CD2-CB 3.9Å; E227-F664 HydrophobicContact CB-CD2 4.26Å; E227-F664 HydrophobicContact CB-CE2 3.71Å; E227-F664 HydrophobicContact CG-CE2 3.83Å; A660-F664 WeakPolarHBondContact O-CB 3.32Å; A660-F664 PolarHBondContact O-N 3.38Å; Q661-F664 WeakPolarHBondContact O-CB 3.21Å; Q661-F664 PolarHBondContact O-N 3.23Å; F664-S666 VanDerWaalsContact C-N 3.28Å; F664-S666 PolarHBondContact O-N 3.42Å; F664-L667 CarbonylContact O-C 3.04Å; F664-L667 WeakPolarHBondContact O-CB 3.45Å; F664-L667 PolarHBondContact O-N 3.16Å; F664-T668 HydrophobicContact CD1-CG2 4.45Å; F664-T668 HydrophobicContact CD2-CG2 4.45Å; F664-T668 HydrophobicContact CE1-CG2 4.14Å; F664-T668 HydrophobicContact CE2-CG2 4.12Å; F664-T668 HydrophobicContact CZ-CG2 3.97Å; F664-T668 VanDerWaalsContact O-CG2 3.23Å; F664-T668 WeakPolarHBondContact O-CG2 3.43Å; F664-T668 PolarHBondContact O-N 2.93Å
665	D	92.1	Very high	88.3	Confident	63 Å²	63	51.4 Å²	51.4	34%	0.337	28%	0.284	S	S	.	.	H	α-helix	trans	-56.4	-43.9	178.9	-62.9	-18.6	0	0	0	110.9	Q661 L667 T668	Q661-D665 PolarHBondContact NE2-OD1 3.23Å; Q661-D665 PolarHBondContact O-N 3.28Å; D665-L667 PolarHBondContact O-N 2.99Å; D665-T668 PolarHBondContact O-N 2.86Å; D665-T668 PolarHBondContact O-OG1 2.68Å
666	S	92	Very high	86	Confident	44 Å²	44	54.4 Å²	54.4	31%	0.308	29%	0.293	S	S	.	.	H	α-helix	trans	-62.9	-40.4	176.9	-59.9	0	0	0	0	112.5	V638 Q662 L663 F664 T668 T669	V638-S666 WeakPolarHBondContact CG1-O 3.46Å; Q662-S666 WeakPolarHBondContact O-CB 3.44Å; Q662-S666 PolarHBondContact O-N 3.08Å; Q662-S666 PolarHBondContact O-OG 3.14Å; L663-S666 PolarHBondContact O-N 3.08Å; F664-S666 VanDerWaalsContact C-N 3.28Å; F664-S666 PolarHBondContact O-N 3.42Å; S666-T668 PolarHBondContact O-N 2.87Å; S666-T669 CarbonylContact O-C 3.6Å; S666-T669 PolarHBondContact O-N 3.25Å
667	L	93.9	Very high	83.2	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-71.1	-16.7	178.2	-67.1	165	0	0	0	112.9	L224 A228 Y231 V638 L640 L663 F664 D665 T669 P670	L224-L667 HydrophobicContact CB-CD1 4.42Å; L224-L667 HydrophobicContact CD2-CD1 4.21Å; A228-L667 HydrophobicContact CB-CB 4.36Å; A228-L667 HydrophobicContact CB-CD1 4.27Å; A228-L667 HydrophobicContact CB-CD2 3.97Å; A228-L667 HydrophobicContact CB-CG 4.42Å; Y231-L667 VanDerWaalsContact CB-O 3.29Å; Y231-L667 WeakPolarHBondContact CB-O 3.48Å; V638-L667 HydrophobicContact CG2-CD2 4.09Å; L640-L667 HydrophobicContact CB-CD1 4.39Å; L640-L667 HydrophobicContact CB-CD2 4.25Å; L640-L667 HydrophobicContact CD1-CD1 3.9Å; L663-L667 HydrophobicContact CD1-CD1 3.98Å; L663-L667 HydrophobicContact CD1-CG 4.2Å; L663-L667 HydrophobicContact CG-CD1 3.91Å; L663-L667 WeakPolarHBondContact O-CD1 3.47Å; L663-L667 VanDerWaalsContact O-CG 3.22Å; L663-L667 WeakPolarHBondContact O-CG 3.39Å; L663-L667 PolarHBondContact O-N 3.31Å; F664-L667 CarbonylContact O-C 3.04Å; F664-L667 WeakPolarHBondContact O-CB 3.45Å; F664-L667 PolarHBondContact O-N 3.16Å; D665-L667 PolarHBondContact O-N 2.99Å; L667-T669 VanDerWaalsContact C-N 3.29Å; L667-P670 WeakPolarHBondContact O-CD 3.45Å
668	T	95.6	Very high	80.4	Confident	37 Å²	37	61 Å²	61	23%	0.227	34%	0.338	C	S	.	.	H	α-helix	trans	-73.7	-20.5	173.7	73.9	0	0	0	0	113.6	Y231 F664 D665 S666 P670	Y231-T668 WeakPolarHBondContact CD1-O 3.43Å; Y231-T668 VanDerWaalsContact CD2-CA 3.49Å; Y231-T668 HydrophobicContact CD2-CG2 4.14Å; Y231-T668 HydrophobicContact CE1-CG2 4.45Å; Y231-T668 HydrophobicContact CE2-CG2 3.47Å; Y231-T668 VanDerWaalsContact CE2-CG2 3.47Å; F664-T668 HydrophobicContact CD1-CG2 4.45Å; F664-T668 HydrophobicContact CD2-CG2 4.45Å; F664-T668 HydrophobicContact CE1-CG2 4.14Å; F664-T668 HydrophobicContact CE2-CG2 4.12Å; F664-T668 HydrophobicContact CZ-CG2 3.97Å; F664-T668 VanDerWaalsContact O-CG2 3.23Å; F664-T668 WeakPolarHBondContact O-CG2 3.43Å; F664-T668 PolarHBondContact O-N 2.93Å; D665-T668 PolarHBondContact O-N 2.86Å; D665-T668 PolarHBondContact O-OG1 2.68Å; S666-T668 PolarHBondContact O-N 2.87Å; T668-P670 VanDerWaalsContact C-CD 3.5Å
669	T	94.6	Very high	77.3	Confident	71 Å²	71	64.1 Å²	64.1	44%	0.436	35%	0.352	S	S	.	.	S	Bend	trans	-128.1	59.8	177.4	59.7	0	0	0	0	111.7	S666 L667 F671 K672	S666-T669 CarbonylContact O-C 3.6Å; S666-T669 PolarHBondContact O-N 3.25Å; L667-T669 VanDerWaalsContact C-N 3.29Å; T669-F671 PolarHBondContact O-N 3.35Å; T669-K672 PolarHBondContact O-N 3.04Å
670	P	94.7	Very high	74.3	Confident	4 Å²	4	68.2 Å²	68.2	3%	0.026	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-20.2	-166.8	27.7	-33.8	0	0	0	113.2	Y231 L232 P636 R637 V638 L667 T668	Y231-P670 WeakPolarHBondContact O-CG 3.3Å; L232-P670 HydrophobicContact CD2-CB 4.04Å; L232-P670 HydrophobicContact CD2-CG 4.1Å; L232-P670 HydrophobicContact CG-CG 4.46Å; P636-P670 CarbonylContact C-O 3.51Å; P636-P670 WeakPolarHBondContact CA-O 3.46Å; P636-P670 HydrophobicContact CB-CB 4.27Å; R637-P670 PolarHBondContact N-O 3.07Å; V638-P670 HydrophobicContact CG1-CB 4.24Å; L667-P670 WeakPolarHBondContact O-CD 3.45Å; T668-P670 VanDerWaalsContact C-CD 3.5Å
671	F	94.7	Very high	71.3	Confident	53 Å²	53	77.5 Å²	77.5	23%	0.232	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-4.9	179	-51	-68.9	0	0	0	113.7	Y231 L232 V634 P636 R637 T669	Y231-F671 WeakPolarHBondContact O-CE2 3.33Å; L232-F671 HydrophobicContact CD2-CE1 4.24Å; L232-F671 HydrophobicContact CD2-CZ 3.92Å; V634-F671 VanDerWaalsContact C-CE1 3.47Å; V634-F671 WeakPolarHBondContact O-CE1 3.46Å; P636-F671 HydrophobicContact CB-CD1 4.31Å; P636-F671 HydrophobicContact CB-CE1 4.07Å; R637-F671 PolarHBondContact NH1-O 3.34Å; R637-F671 PolarHBondContact NH2-O 3.4Å; R637-F671 VanDerWaalsContact NH2-O 3.13Å; T669-F671 PolarHBondContact O-N 3.35Å
672	K	87.8	Confident	68.4	Low	117 Å²	117	81 Å²	81	51%	0.509	44%	0.444	S	S	.	.	S	Bend	trans	-80.2	138.5	178.8	-164	-172.5	167.2	-170.5	0	109.1	T669 D675	T669-K672 PolarHBondContact O-N 3.04Å; K672-D675 IonicContact NZ-OD2 2.81Å; K672-D675 PolarHBondContact NZ-OD2 3.39Å
673	N	73.5	Confident	65.4	Low	59 Å²	59	78.6 Å²	78.6	32%	0.316	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-68.3	137.3	166.2	-67.4	-28.4	0	0	0	108.5	R637 D675	R637-N673 PolarHBondContact NE-OD1 3.3Å; R637-N673 PolarHBondContact NH2-OD1 3.34Å; N673-D675 PolarHBondContact O-N 3.27Å
674	P	63.4	Low	62.4	Low	54 Å²	54	88.6 Å²	88.6	35%	0.351	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-53.5	134.1	173.8	-21.5	30.7	0	0	0	110.2	T676	P674-T676 PolarHBondContact O-N 3.3Å; P674-T676 VanDerWaalsContact O-N 3.14Å
675	D	50.5	Low	59.4	Low	113 Å²	113	95.6 Å²	95.6	60%	0.604	51%	0.513	S	S	*	.			trans	-62.4	115.9	179.8	-102	-48.7	0	0	0	110	K672 N673 S677	K672-D675 IonicContact NZ-OD2 2.81Å; K672-D675 PolarHBondContact NZ-OD2 3.39Å; N673-D675 PolarHBondContact O-N 3.27Å; D675-S677 PolarHBondContact O-N 2.87Å
676	T	42.7	Very low	56.4	Low	110 Å²	110	97 Å²	97	68%	0.675	52%	0.524	S	S	*	.			trans	-83.6	15.4	177	48.4	0	0	0	0	112.9	P674 L678	P674-T676 PolarHBondContact O-N 3.3Å; P674-T676 VanDerWaalsContact O-N 3.14Å; T676-L678 PolarHBondContact O-N 3.46Å
677	S	33.3	Very low	53.8	Low	91 Å²	91	98.1 Å²	98.1	64%	0.636	53%	0.532	S	S	*	.			trans	-72.9	6.5	-176	53.9	0	0	0	0	114.9	D675 N679	D675-S677 PolarHBondContact O-N 2.87Å; S677-N679 VanDerWaalsContact C-N 3.28Å; S677-N679 PolarHBondContact O-N 3.3Å; S677-N679 VanDerWaalsContact O-N 3.14Å
678	L	35.1	Very low	51.7	Low	169 Å²	169	101.9 Å²	101.9	89%	0.885	55%	0.546	S	S	*	.	S	Bend	trans	-80	82.2	155.9	-75.5	164.7	0	0	0	109.3	T676 N680	T676-L678 PolarHBondContact O-N 3.46Å; L678-N680 PolarHBondContact O-N 3.03Å
679	N	25.2	Very low	50	Low	143 Å²	143	104.4 Å²	104.4	77%	0.765	56%	0.557	S	S	*	*	S	Bend	trans	1.3	106.4	162.3	-66.9	-24.7	0	0	0	117.5	S677	S677-N679 VanDerWaalsContact C-N 3.28Å; S677-N679 PolarHBondContact O-N 3.3Å; S677-N679 VanDerWaalsContact O-N 3.14Å
680	N	28.2	Very low	49.1	Very low	128 Å²	128	102.7 Å²	102.7	68%	0.684	54%	0.543	S	S	*	.				-168.4	127.9	124.5	-93.2	-22.9	0	0	0	110.7	L678 S682 C683	L678-N680 PolarHBondContact O-N 3.03Å; N680-S682 PolarHBondContact O-N 3.04Å; N680-C683 PolarHBondContact O-N 3.48Å
681	E	28.7	Very low	48.2	Very low	195 Å²	195	105.7 Å²	105.7	91%	0.911	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	4.9	-177.9	-74.2	-175	132.1	0	0	115	C683	E681-C683 VanDerWaalsContact C-N 3.34Å
682	S	32	Very low	47.7	Very low	106 Å²	106	109.1 Å²	109.1	74%	0.741	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-7.8	173.1	-24.1	0	0	0	0	113.6	N680 R684	N680-S682 PolarHBondContact O-N 3.04Å; S682-R684 PolarHBondContact O-N 3.49Å
683	C	28.8	Very low	47.5	Very low	72 Å²	72	105.4 Å²	105.4	49%	0.486	55%	0.554	S	S	.	*			trans	-97.6	37.8	-169.7	-83.1	0	0	0	0	114.8	N680 E681 L685 V686	N680-C683 PolarHBondContact O-N 3.48Å; E681-C683 VanDerWaalsContact C-N 3.34Å; C683-L685 PolarHBondContact O-N 3.24Å; C683-V686 WeakPolarHBondContact CB-O 3.2Å; C683-V686 PolarHBondContact SG-O 2.92Å
684	R	28.6	Very low	48.3	Very low	224 Å²	224	104.4 Å²	104.4	85%	0.845	55%	0.551	S	S	*	*	S	Bend	trans	-75.2	-5.1	172.7	-73.1	-169.9	-179.3	-172	2.3	114.1	S682	S682-R684 PolarHBondContact O-N 3.49Å
685	L	31.2	Very low	49.3	Very low	152 Å²	152	106.9 Å²	106.9	80%	0.796	56%	0.561	S	S	*	*	S	Bend	trans	-137.7	8.9	174.6	-116.9	96.4	0	0	0	115	C683	C683-L685 PolarHBondContact O-N 3.24Å
686	V	29	Very low	51.1	Low	93 Å²	93	106.5 Å²	106.5	56%	0.564	55%	0.551	S	S	*	*	S	Bend	trans	-142.4	121.6	-176.5	-173.9	0	0	0	0	106.7	C683	C683-V686 WeakPolarHBondContact CB-O 3.2Å; C683-V686 PolarHBondContact SG-O 2.92Å
687	S	37.4	Very low	53.2	Low	67 Å²	67	101.7 Å²	101.7	47%	0.469	52%	0.522	S	S	.	.			cis	-147.4	120	3	49.6	0	0	0	0	107	I689	S687-I689 PolarHBondContact O-N 3.05Å; S687-I689 WeakPolarHBondContact OG-CG1 3.39Å
688	R	51.2	Low	55.4	Low	82 Å²	82	102.7 Å²	102.7	31%	0.309	51%	0.512	S	S	.	.			trans	-64.9	91.6	151.6	-68.3	170.7	-178.3	-174.8	0.7	104	D505 K690	D505-R688 WeakPolarHBondContact OD1-CD 3.48Å; D505-R688 IonicContact OD1-CZ 3.66Å; D505-R688 IonicContact OD1-NE 2.89Å; D505-R688 IonicContact OD1-NH1 3.25Å; D505-R688 PolarHBondContact OD1-NH1 3.05Å; R688-K690 PolarHBondContact O-N 2.88Å
689	I	60.1	Low	57.5	Low	89 Å²	89	102.9 Å²	102.9	46%	0.456	51%	0.506	S	S	.	.			trans	-58.8	101.2	-175.4	-63.4	175.3	0	0	0	107.6	S687 Y691	S687-I689 PolarHBondContact O-N 3.05Å; S687-I689 WeakPolarHBondContact OG-CG1 3.39Å; I689-Y691 HydrophobicContact CG2-CE1 4.46Å; I689-Y691 PolarHBondContact O-N 3.42Å
690	K	75.6	Confident	60.3	Low	35 Å²	35	98.3 Å²	98.3	15%	0.152	48%	0.481	C	S	.	.			trans	-82.1	112.2	171.1	-69.7	176.6	-171.4	171.8	0	106.7	N498 L501 D505 E527 R688 R692	N498-K690 HydrophobicContact CB-CD 4.23Å; L501-K690 HydrophobicContact CD1-CG 4.2Å; D505-K690 WeakPolarHBondContact OD2-CE 2.75Å; D505-K690 IonicContact OD2-NZ 3.69Å; D505-K690 PolarHBondContact OD2-NZ 2.97Å; E527-K690 HydrophobicContact CG-CD 4.48Å; E527-K690 WeakPolarHBondContact OE1-CD 3.44Å; E527-K690 IonicContact OE1-NZ 2.94Å; E527-K690 PolarHBondContact OE1-NZ 3.08Å; R688-K690 PolarHBondContact O-N 2.88Å; K690-R692 PolarHBondContact O-N 3.36Å; K690-R692 VanDerWaalsContact O-N 3.11Å
691	Y	76	Confident	62.5	Low	68 Å²	68	100.5 Å²	100.5	27%	0.267	48%	0.48	S	S	.	.			trans	-65.9	110.9	176.5	-68.1	-82	0	0	0	109.2	N498 V638 R641 I689	N498-Y691 PolarHBondContact ND2-O 2.81Å; V638-Y691 HydrophobicContact CB-CD2 4.45Å; V638-Y691 HydrophobicContact CB-CE2 4.33Å; V638-Y691 HydrophobicContact CG2-CE2 4.47Å; R641-Y691 VanDerWaalsContact CZ-O 3.31Å; R641-Y691 PolarHBondContact NE-O 3.29Å; R641-Y691 PolarHBondContact NH2-O 3.29Å; I689-Y691 HydrophobicContact CG2-CE1 4.46Å; I689-Y691 PolarHBondContact O-N 3.42Å
692	R	82.7	Confident	64.8	Low	124 Å²	124	91.7 Å²	91.7	47%	0.468	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-100.1	138.6	174	-68.8	-172.4	-178.7	-169.9	4.4	110.2	N526 E527 K690	N526-R692 PolarHBondContact O-NH1 2.85Å; N526-R692 PolarHBondContact O-NH2 3.19Å; E527-R692 IonicContact OE1-CZ 3.39Å; E527-R692 IonicContact OE1-NH2 2.76Å; E527-R692 PolarHBondContact OE1-NH2 3.39Å; E527-R692 IonicContact OE2-CZ 2.62Å; E527-R692 IonicContact OE2-NE 2.73Å; E527-R692 PolarHBondContact OE2-NE 2.97Å; E527-R692 VanDerWaalsContact OE2-NE 3.09Å; E527-R692 IonicContact OE2-NH2 3.57Å; E527-R692 PolarHBondContact OE2-NH2 3.14Å; K690-R692 PolarHBondContact O-N 3.36Å; K690-R692 VanDerWaalsContact O-N 3.11Å
693	P	85.2	Confident	66.6	Low	40 Å²	40	86.7 Å²	86.7	26%	0.26	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-62.7	130.7	173.4	29.3	-37.2	0	0	0	110	D379 Y643 S697	D379-P693 HydrophobicContact CB-CB 4.37Å; D379-P693 HydrophobicContact CB-CG 3.98Å; Y643-P693 HydrophobicContact CD1-CB 4.27Å; Y643-P693 HydrophobicContact CE1-CB 4.46Å; P693-S697 WeakPolarHBondContact CB-OG 3.29Å
694	P	88.7	Confident	68	Low	38 Å²	38	85.9 Å²	85.9	25%	0.247	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-70.6	152.4	173.7	30.3	-35	0	0	0	110.6	Y643 W696 S697	Y643-P694 HydrophobicContact CD2-CG 4.06Å; Y643-P694 HydrophobicContact CG-CG 4.23Å; P694-W696 HydrophobicContact CB-CG 4.41Å; P694-W696 HydrophobicContact CG-CD2 4.13Å; P694-W696 HydrophobicContact CG-CG 4.32Å; P694-W696 HydrophobicContact CG-CZ2 3.71Å; P694-W696 PolarHBondContact O-N 3.47Å; P694-S697 WeakPolarHBondContact O-CB 3.33Å; P694-S697 PolarHBondContact O-N 3.25Å; P694-S697 PolarHBondContact O-OG 3.4Å
695	N	84.4	Confident	69.4	Low	106 Å²	106	76.1 Å²	76.1	57%	0.567	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-54.3	-29.3	-174.5	-80.9	-23.7	0	0	0	115.1	Q533 S697 R698	Q533-N695 PolarHBondContact NE2-OD1 3.32Å; N695-S697 VanDerWaalsContact C-N 3.34Å; N695-R698 PolarHBondContact O-NE 3.02Å; N695-R698 VanDerWaalsContact O-NE 3.1Å
696	W	88.1	Confident	70.1	Confident	104 Å²	104	69.4 Å²	69.4	39%	0.394	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-71.6	-26.4	178.7	65.9	-102.2	0	0	0	113	E646 E647 P694 R698 K699 L700	E646-W696 HydrophobicContact CB-CH2 4.45Å; E646-W696 HydrophobicContact CG-CH2 4.31Å; E646-W696 HydrophobicContact CG-CZ3 4.25Å; E647-W696 HydrophobicContact CG-CH2 4.31Å; E647-W696 HydrophobicContact CG-CZ2 4.17Å; P694-W696 HydrophobicContact CB-CG 4.41Å; P694-W696 HydrophobicContact CG-CD2 4.13Å; P694-W696 HydrophobicContact CG-CG 4.32Å; P694-W696 HydrophobicContact CG-CZ2 3.71Å; P694-W696 PolarHBondContact O-N 3.47Å; W696-R698 PolarHBondContact O-N 3.45Å; W696-K699 PolarHBondContact O-N 3.25Å; W696-L700 HydrophobicContact CH2-CD1 4.35Å; W696-L700 HydrophobicContact CZ3-CD1 3.77Å; W696-L700 HydrophobicContact CZ3-CD2 4.02Å; W696-L700 HydrophobicContact CZ3-CG 4.01Å
697	S	87.2	Confident	72.2	Confident	9 Å²	9	68.3 Å²	68.3	6%	0.063	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-69.8	-20.2	-174.7	70.3	0	0	0	0	113.2	Y643 P693 P694 N695 K699 L700	Y643-S697 VanDerWaalsContact CB-CB 3.48Å; P693-S697 WeakPolarHBondContact CB-OG 3.29Å; P694-S697 WeakPolarHBondContact O-CB 3.33Å; P694-S697 PolarHBondContact O-N 3.25Å; P694-S697 PolarHBondContact O-OG 3.4Å; N695-S697 VanDerWaalsContact C-N 3.34Å; S697-K699 PolarHBondContact O-N 3.41Å; S697-K699 VanDerWaalsContact O-N 3.13Å; S697-L700 WeakPolarHBondContact O-CB 3.45Å; S697-L700 WeakPolarHBondContact O-CG 3.42Å; S697-L700 PolarHBondContact O-N 3.24Å
698	R	81.1	Confident	74	Confident	112 Å²	112	68.3 Å²	68.3	42%	0.423	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-57.5	-25.8	175.4	-66.3	-176.5	-67.9	162.7	-8.5	113.6	Q533 E536 N695 W696 L700	Q533-R698 VanDerWaalsContact CG-NH1 3.32Å; E536-R698 IonicContact OE2-CZ 3.37Å; E536-R698 IonicContact OE2-NH1 3.9Å; E536-R698 PolarHBondContact OE2-NH1 3.4Å; N695-R698 PolarHBondContact O-NE 3.02Å; N695-R698 VanDerWaalsContact O-NE 3.1Å; W696-R698 PolarHBondContact O-N 3.45Å; R698-L700 VanDerWaalsContact C-N 3.33Å
699	K	78.4	Confident	75.3	Confident	173 Å²	173	67.6 Å²	67.6	75%	0.752	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-87.6	-2.5	178.6	-61.7	-174.5	-179.7	-176.4	0	113	W696 S697 R701	W696-K699 PolarHBondContact O-N 3.25Å; S697-K699 PolarHBondContact O-N 3.41Å; S697-K699 VanDerWaalsContact O-N 3.13Å; K699-R701 PolarHBondContact O-N 3.13Å
700	L	82.8	Confident	76.2	Confident	47 Å²	47	66.3 Å²	66.3	25%	0.246	30%	0.303	C	S	.	.			trans	-65	132.7	178.9	-71.8	172.7	0	0	0	110.3	N642 E646 W696 S697 R698	N642-L700 HydrophobicContact CB-CD1 4.37Å; E646-L700 HydrophobicContact CB-CD1 4.13Å; E646-L700 HydrophobicContact CB-CD2 4.34Å; E646-L700 HydrophobicContact CG-CD1 4.42Å; E646-L700 HydrophobicContact CG-CD2 3.81Å; W696-L700 HydrophobicContact CH2-CD1 4.35Å; W696-L700 HydrophobicContact CZ3-CD1 3.77Å; W696-L700 HydrophobicContact CZ3-CD2 4.02Å; W696-L700 HydrophobicContact CZ3-CG 4.01Å; S697-L700 WeakPolarHBondContact O-CB 3.45Å; S697-L700 WeakPolarHBondContact O-CG 3.42Å; S697-L700 PolarHBondContact O-N 3.24Å; R698-L700 VanDerWaalsContact C-N 3.33Å
701	R	76	Confident	76.2	Confident	175 Å²	175	68.3 Å²	68.3	66%	0.66	31%	0.312	S	S	*	.			trans	-120	130.9	177.6	-67.6	-168.6	179.5	-173.7	-0.7	108	F254 T389 K699	F254-R701 HydrophobicContact CE1-CB 3.96Å; T389-R701 HydrophobicContact CG2-CB 3.69Å; T389-R701 HydrophobicContact CG2-CG 3.86Å; K699-R701 PolarHBondContact O-N 3.13Å
702	V	76.8	Confident	76.2	Confident	9 Å²	9	68.3 Å²	68.3	6%	0.055	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-118.4	124.9	176.5	-165.1	0	0	0	0	107.9	P374 T389 S706	P374-V702 HydrophobicContact CB-CB 4.34Å; P374-V702 HydrophobicContact CB-CG1 4.06Å; P374-V702 WeakPolarHBondContact CB-O 3.04Å; T389-V702 PolarHBondContact N-O 2.8Å; T389-V702 PolarHBondContact OG1-O 3.48Å; V702-S706 WeakPolarHBondContact CA-OG 3.34Å; V702-S706 WeakPolarHBondContact CG1-OG 3.32Å
703	S	69.3	Low	75.8	Confident	2 Å²	2	64.3 Å²	64.3	1%	0.014	30%	0.304	C	S	.	.			trans	-113.7	173.9	178.6	80.4	0	0	0	0	111.1	M253 S705 S706	M253-S703 PolarHBondContact O-OG 3.26Å; M253-S703 VanDerWaalsContact O-OG 3.05Å; S703-S705 PolarHBondContact O-N 3.32Å; S703-S705 VanDerWaalsContact O-N 3.12Å; S703-S705 PolarHBondContact OG-N 3.01Å; S703-S705 PolarHBondContact OG-OG 3.49Å; S703-S706 PolarHBondContact N-OG 3.08Å; S703-S706 PolarHBondContact O-N 3.26Å; S703-S706 VanDerWaalsContact O-N 3.08Å; S703-S706 PolarHBondContact O-OG 2.9Å
704	C	58.4	Low	75.1	Confident	54 Å²	54	66.2 Å²	66.2	37%	0.365	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-15	175	-62.5	0	0	0	0	113.8
705	S	57.3	Low	73.9	Confident	19 Å²	19	68.5 Å²	68.5	13%	0.133	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-16.7	175.8	83.3	0	0	0	0	113	R217 M253 S703	R217-S705 VanDerWaalsContact NH1-C 3.29Å; R217-S705 PolarHBondContact NH1-O 2.99Å; R217-S705 PolarHBondContact NH1-OG 2.69Å; M253-S705 PolarHBondContact O-OG 3.17Å; S703-S705 PolarHBondContact O-N 3.32Å; S703-S705 VanDerWaalsContact O-N 3.12Å; S703-S705 PolarHBondContact OG-N 3.01Å; S703-S705 PolarHBondContact OG-OG 3.49Å
706	S	47.3	Very low	73	Confident	12 Å²	12	65.1 Å²	65.1	8%	0.084	29%	0.29	C	S	.	.			trans	-100.2	0	-168.8	61.3	0	0	0	0	115.9	S218 R221 V702 S703	S218-S706 WeakPolarHBondContact CA-OXT 3.2Å; S218-S706 WeakPolarHBondContact CB-OXT 3.28Å; S218-S706 PolarHBondContact N-OXT 2.8Å; R221-S706 WeakPolarHBondContact CD-OXT 3.39Å; V702-S706 WeakPolarHBondContact CA-OG 3.34Å; V702-S706 WeakPolarHBondContact CG1-OG 3.32Å; S703-S706 PolarHBondContact N-OG 3.08Å; S703-S706 PolarHBondContact O-N 3.26Å; S703-S706 VanDerWaalsContact O-N 3.08Å; S703-S706 PolarHBondContact O-OG 2.9Å

Retrieved 706 of 706 residues in 219.8 ms (Link to these results)

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