A0A5K4F356_SCHMA Loading...

RBR-type E3 ubiquitin transferase AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F356, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 562 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	34.4	Very low	36.1	Very low	244 Å²	244	154.5 Å²	154.5	100%	1.202	86%	0.857	S	S	*	*				0	133.1	0	-75.4	-180	118.1	0	0	108.7
2	S	34.1	Very low	36.2	Very low	113 Å²	113	151.8 Å²	151.8	79%	0.79	86%	0.856	S	S	*	*			trans	21.8	109.8	168.7	-70.6	0	0	0	0	119.5
3	S	35.7	Very low	36.3	Very low	95 Å²	95	157.8 Å²	157.8	66%	0.664	86%	0.857	S	S	*	*				83.5	114.6	71.6	84.6	0	0	0	0	115.6
4	K	37.5	Very low	36.2	Very low	195 Å²	195	156.7 Å²	156.7	85%	0.848	86%	0.858	S	S	*	*				60.1	106.5	124.9	-66.2	178.2	177.6	176.5	0	118.6
5	Y	37.7	Very low	36.3	Very low	238 Å²	238	150.7 Å²	150.7	93%	0.933	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-88.6	136.1	143.2	-95.8	-89.9	0	0	0	110.8
6	P	37.2	Very low	36.3	Very low	116 Å²	116	151.6 Å²	151.6	75%	0.753	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-96.3	160.5	-173.9	36.8	-33.4	0	0	0	114.5
7	S	33.5	Very low	36.3	Very low	126 Å²	126	157.2 Å²	157.2	88%	0.881	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-49.6	133.9	170.5	176.7	0	0	0	0	115.4
8	G	38.2	Very low	36.3	Very low	74 Å²	74	159.8 Å²	159.8	76%	0.763	86%	0.855	S	S	*	*			trans	-128.4	94.4	170.6	0	0	0	0	0	112.3
9	K	36.4	Very low	36.3	Very low	205 Å²	205	162.2 Å²	162.2	89%	0.891	86%	0.857	S	S	*	*			trans	44.1	116.7	145.2	-67.2	177.1	-178.7	170.6	0	121
10	K	36.3	Very low	36.3	Very low	222 Å²	222	166.4 Å²	166.4	97%	0.965	86%	0.86	S	S	*	*			trans	-42.7	133.8	156.9	-65	173.5	175.2	178	0	114
11	G	36.4	Very low	36.5	Very low	71 Å²	71	165.1 Å²	165.1	73%	0.732	86%	0.86	S	S	*	*			trans	-135.3	137.1	162.2	0	0	0	0	0	111
12	S	37	Very low	36.6	Very low	122 Å²	122	161 Å²	161	85%	0.853	84%	0.842	S	S	*	*			trans	28.8	107.6	162.4	-80.9	0	0	0	0	119.9
13	R	37.7	Very low	36.6	Very low	230 Å²	230	161.1 Å²	161.1	87%	0.868	84%	0.84	S	S	*	*				55.9	111.9	81.9	-93.5	-169.6	-169.4	-170.5	3.6	116
14	V	35.3	Very low	36.5	Very low	143 Å²	143	164 Å²	164	87%	0.867	85%	0.847	S	S	*	*			trans	78	88.5	147.6	-164.7	0	0	0	0	116.2
15	G	37.4	Very low	36.6	Very low	66 Å²	66	160.1 Å²	160.1	68%	0.68	85%	0.845	S	S	*	*			trans	-116.2	110.6	169.7	0	0	0	0	0	111.5
16	L	36.7	Very low	36.3	Very low	165 Å²	165	157.9 Å²	157.9	86%	0.864	84%	0.843	S	S	*	*			trans	27	110.2	149.8	-74.1	88.7	0	0	0	118.8
17	W	35.7	Very low	36.1	Very low	247 Å²	247	157.9 Å²	157.9	94%	0.936	84%	0.843	S	S	*	*			trans	-135.9	55.6	164.7	-127.7	68	0	0	0	111
18	F	35.8	Very low	36.2	Very low	204 Å²	204	160.3 Å²	160.3	90%	0.895	84%	0.84	S	S	*	*			trans	-164.3	99	166.4	-99.8	-75.6	0	0	0	110.3
19	K	37.1	Very low	35.9	Very low	206 Å²	206	163.3 Å²	163.3	90%	0.896	84%	0.844	S	S	*	*			trans	175	90.2	151.9	-105.3	179.6	178.9	-174.7	0	109.2
20	R	36.3	Very low	35.7	Very low	246 Å²	246	161.5 Å²	161.5	93%	0.928	84%	0.836	S	S	*	*			trans	-164.3	71.2	157.4	-132	-178.2	-79.5	159.1	-8.1	111.3
21	V	40.1	Very low	35.5	Very low	139 Å²	139	160.3 Å²	160.3	84%	0.842	83%	0.831	S	S	*	*			trans	-149.6	105.2	154.9	-176.4	0	0	0	0	106
22	L	37.5	Very low	35.4	Very low	159 Å²	159	166.7 Å²	166.7	83%	0.832	83%	0.833	S	S	*	*			trans	158.5	109	156.9	-88.1	162.9	0	0	0	107
23	P	33	Very low	35.4	Very low	114 Å²	114	167.8 Å²	167.8	74%	0.74	83%	0.829	S	S	*	*			trans	-89.3	124.4	166.8	33.1	-23.2	0	0	0	108
24	D	34.3	Very low	35.5	Very low	155 Å²	155	163.5 Å²	163.5	83%	0.829	82%	0.819	S	S	*	*			trans	-163.2	148.1	158.1	-95.2	-32.4	0	0	0	111.2
25	S	38.1	Very low	36	Very low	115 Å²	115	162.2 Å²	162.2	80%	0.804	81%	0.807	S	S	*	*			trans	86.6	101.9	175.3	72.5	0	0	0	0	117.8
26	H	32.5	Very low	36.3	Very low	190 Å²	190	164.2 Å²	164.2	88%	0.88	81%	0.806	S	S	*	*			trans	-18.6	138.8	152.2	-89.3	-91.3	0	0	0	115.5
27	P	33.1	Very low	36.7	Very low	117 Å²	117	161.7 Å²	161.7	76%	0.76	80%	0.802	S	S	*	*			trans	-129.5	120.6	133.4	31.5	-17.6	0	0	0	111.5
28	Q	36.1	Very low	37.2	Very low	176 Å²	176	155.5 Å²	155.5	82%	0.822	78%	0.782	S	S	*	*			trans	19.9	113.7	142.1	-70.3	-75.9	-3.3	0	0	117.1	K30	Q28-K30 PolarHBondContact O-N 3.2Å; Q28-K30 VanDerWaalsContact O-N 3.16Å
29	V	32	Very low	37.7	Very low	137 Å²	137	150.7 Å²	150.7	83%	0.83	77%	0.773	S	S	*	*			trans	-39.6	112.4	164.1	176.7	0	0	0	0	111.2
30	K	31.5	Very low	37.9	Very low	168 Å²	168	149.7 Å²	149.7	73%	0.73	77%	0.771	S	S	*	*			trans	-126.2	93.4	157.3	-154.2	170.7	-169.3	171.5	0	107.6	Q28 R32	Q28-K30 PolarHBondContact O-N 3.2Å; Q28-K30 VanDerWaalsContact O-N 3.16Å; K30-R32 PolarHBondContact O-N 3.13Å
31	K	31.9	Very low	38.4	Very low	196 Å²	196	144.6 Å²	144.6	85%	0.852	76%	0.763	S	S	*	*			trans	-52.6	101.1	168.5	-128.1	176.2	-177.4	178.2	0	107.3
32	R	34.8	Very low	39.1	Very low	205 Å²	205	147.7 Å²	147.7	77%	0.774	77%	0.768	S	S	*	*			trans	-124	104.4	173.6	-140.7	175.2	-166	154	1	106	K30 E34	K30-R32 PolarHBondContact O-N 3.13Å; R32-E34 PolarHBondContact O-N 3.14Å
33	N	36.3	Very low	40.7	Very low	145 Å²	145	142.1 Å²	142.1	78%	0.775	74%	0.742	S	S	*	*			trans	-53.8	118.1	-179.6	-64.9	-14.9	0	0	0	109.6	L35	N33-L35 PolarHBondContact O-N 2.84Å; N33-L35 VanDerWaalsContact O-N 3.08Å
34	E	40.5	Very low	43.2	Very low	140 Å²	140	142.9 Å²	142.9	65%	0.654	74%	0.736	S	S	*	*	S	Bend	trans	-80.7	73.3	170.7	-75.2	-173.6	121	0	0	109.5	R32 S59	R32-E34 PolarHBondContact O-N 3.14Å; E34-S59 PolarHBondContact OE1-OG 2.65Å
35	L	46.1	Very low	45.7	Very low	117 Å²	117	135.5 Å²	135.5	61%	0.613	70%	0.697	S	S	*	*			trans	-153.9	101.4	159.9	-93.6	121.8	0	0	0	105.8	N33 S37 L56	N33-L35 PolarHBondContact O-N 2.84Å; N33-L35 VanDerWaalsContact O-N 3.08Å; L35-S37 PolarHBondContact O-N 3.14Å; L35-L56 HydrophobicContact CD2-CD1 3.76Å; L35-L56 HydrophobicContact CG-CD1 4.43Å
36	T	43.6	Very low	48.1	Very low	108 Å²	108	133.8 Å²	133.8	66%	0.663	68%	0.683	S	S	*	*			trans	-89	102.8	168.7	30.6	0	0	0	0	107.6	F38	T36-F38 PolarHBondContact O-N 3.22Å
37	S	43.6	Very low	50.7	Low	111 Å²	111	128.4 Å²	128.4	78%	0.776	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-59.9	123.1	166.1	53.5	0	0	0	0	108.7	L35	L35-S37 PolarHBondContact O-N 3.14Å
38	F	47.2	Very low	53.4	Low	118 Å²	118	125.5 Å²	125.5	52%	0.518	65%	0.645	S	S	.	*	P	Polyproline II helix	trans	-76.3	140.5	171.8	-102.1	-78.3	0	0	0	110.2	T36 P55 R57	T36-F38 PolarHBondContact O-N 3.22Å; F38-P55 HydrophobicContact CB-CG 4.16Å; F38-P55 HydrophobicContact CD2-CG 4.46Å; F38-R57 VanDerWaalsContact CZ-NH2 3.35Å
39	S	45.3	Very low	55.8	Low	102 Å²	102	122.9 Å²	122.9	71%	0.713	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-58.2	134.1	164.6	178.5	0	0	0	0	110	N41	S39-N41 PolarHBondContact O-N 2.69Å; S39-N41 VanDerWaalsContact O-N 3.08Å
40	E	42.3	Very low	58.4	Low	185 Å²	185	122.1 Å²	122.1	86%	0.864	63%	0.625	S	S	*	*	S	Bend	trans	-35.9	104.3	174.1	-64	165.3	171.7	0	0	112.5
41	N	47.2	Very low	60.8	Low	139 Å²	139	118.9 Å²	118.9	74%	0.743	62%	0.621	S	S	*	*			trans	-147.3	119.2	158.1	-83.8	-34.7	0	0	0	104.9	S39 S43	S39-N41 PolarHBondContact O-N 2.69Å; S39-N41 VanDerWaalsContact O-N 3.08Å; N41-S43 VanDerWaalsContact C-N 3.3Å; N41-S43 PolarHBondContact O-N 3.26Å; N41-S43 PolarHBondContact O-OG 3.2Å
42	E	54.4	Low	62.8	Low	205 Å²	205	110.7 Å²	110.7	96%	0.958	59%	0.586	S	S	*	*			trans	-49	86.6	-175.6	-62.9	176.5	158.3	0	0	111.7
43	S	71	Confident	64.3	Low	41 Å²	41	110 Å²	110	29%	0.287	59%	0.592	S	S	.	*			trans	-102.8	115.1	178.5	42.7	0	0	0	0	107.9	N41 I52	N41-S43 VanDerWaalsContact C-N 3.3Å; N41-S43 PolarHBondContact O-N 3.26Å; N41-S43 PolarHBondContact O-OG 3.2Å; S43-I52 WeakPolarHBondContact O-CB 3.32Å; S43-I52 PolarHBondContact O-N 3.26Å
44	E	85	Confident	65.9	Low	130 Å²	130	107.5 Å²	107.5	61%	0.607	58%	0.578	S	S	*	*	B	Isolated β-bridge	trans	-70.2	146.4	171	-64.7	177.5	169.2	0	0	110
45	C	88	Confident	67.6	Low	1 Å²	1	101.9 Å²	101.9	1%	0.007	55%	0.554	C	S	.	*			trans	-70.5	128.7	175.4	-176.3	0	0	0	0	110.8	V47 C48 L49 M50 I52 C66 C69	C45-V47 PolarHBondContact O-N 2.97Å; C45-V47 PolarHBondContact SG-N 3.17Å; C45-C48 WeakPolarHBondContact CB-SG 3.25Å; C45-L49 WeakPolarHBondContact O-CA 3.38Å; C45-L49 PolarHBondContact O-N 3.4Å; C45-M50 PolarHBondContact N-O 2.93Å; C45-I52 HydrophobicContact CB-CD1 3.53Å; C45-I52 HydrophobicContact CB-CG1 3.55Å; C45-C66 HydrophobicContact CB-CB 4.09Å; C45-C66 PolarHBondContact SG-N 3.36Å; C45-C69 PolarHBondContact SG-SG 3.31Å
46	P	87.4	Confident	69.3	Low	79 Å²	79	98.2 Å²	98.2	51%	0.513	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-11	178.5	26.8	-34.7	0	0	0	113.7	F64	P46-F64 HydrophobicContact CG-CE2 4.32Å; P46-F64 WeakPolarHBondContact CG-O 3.35Å
47	V	88	Confident	71.3	Confident	77 Å²	77	98 Å²	98	47%	0.467	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-52.9	-176.7	-175.4	0	0	0	0	111.9	C45 A65 C69 I89	C45-V47 PolarHBondContact O-N 2.97Å; C45-V47 PolarHBondContact SG-N 3.17Å; V47-A65 HydrophobicContact CG2-CB 4.07Å; V47-C69 HydrophobicContact CB-CB 4.16Å; V47-C69 HydrophobicContact CG1-CB 4.23Å; V47-I89 HydrophobicContact CG1-CD1 4.17Å; V47-I89 HydrophobicContact CG2-CD1 3.7Å; V47-I89 HydrophobicContact CG2-CG1 4.32Å
48	C	89.5	Confident	73.2	Confident	55 Å²	55	93.5 Å²	93.5	37%	0.372	49%	0.489	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-7.8	-177.8	65.1	0	0	0	0	114	C45 M50 C69	C45-C48 WeakPolarHBondContact CB-SG 3.25Å; C48-M50 HydrophobicContact CB-CG 4.26Å; C48-M50 PolarHBondContact O-N 3.15Å; C48-M50 VanDerWaalsContact O-N 3.09Å; C48-C69 PolarHBondContact SG-SG 3.31Å
49	L	87.1	Confident	74.8	Confident	121 Å²	121	92 Å²	92	63%	0.634	49%	0.493	S	S	*	.			trans	58	17.5	-176.8	-51	174.9	0	0	0	114	C45	C45-L49 WeakPolarHBondContact O-CA 3.38Å; C45-L49 PolarHBondContact O-N 3.4Å
50	M	86.3	Confident	76.5	Confident	122 Å²	122	89.7 Å²	89.7	60%	0.601	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-88.3	147.8	173.9	-62.4	-66.8	-68.2	0	0	110.1	C45 C48 I52	C45-M50 PolarHBondContact N-O 2.93Å; C48-M50 HydrophobicContact CB-CG 4.26Å; C48-M50 PolarHBondContact O-N 3.15Å; C48-M50 VanDerWaalsContact O-N 3.09Å; M50-I52 PolarHBondContact O-N 3.14Å
51	P	80.9	Confident	78.7	Confident	100 Å²	100	82.5 Å²	82.5	65%	0.649	45%	0.447	S	S	*	.	B	Isolated β-bridge	trans	-59.1	131.7	172.9	25.6	-33.8	0	0	0	109.7
52	I	74	Confident	80.6	Confident	24 Å²	24	77.8 Å²	77.8	12%	0.123	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-99.7	121.3	-178.7	-52.9	167.1	0	0	0	110.1	S43 C45 M50 D54 P55 F64 C66	S43-I52 WeakPolarHBondContact O-CB 3.32Å; S43-I52 PolarHBondContact O-N 3.26Å; C45-I52 HydrophobicContact CB-CD1 3.53Å; C45-I52 HydrophobicContact CB-CG1 3.55Å; M50-I52 PolarHBondContact O-N 3.14Å; I52-D54 WeakPolarHBondContact CG2-O 3.15Å; I52-P55 HydrophobicContact CD1-CB 4.34Å; I52-P55 HydrophobicContact CG2-CB 4.05Å; I52-P55 VanDerWaalsContact CG2-N 3.29Å; I52-F64 HydrophobicContact CD1-CD2 4.38Å; I52-C66 HydrophobicContact CD1-CB 4.47Å; I52-C66 HydrophobicContact CG1-CB 4.13Å; I52-C66 HydrophobicContact CG2-CB 4.48Å
53	E	65.7	Low	82.3	Confident	190 Å²	190	71.3 Å²	71.3	89%	0.888	40%	0.4	S	S	*	.	S	Bend	trans	-75	-42.4	169.1	-63.7	-179.1	178.6	0	0	111.3
54	D	70.3	Confident	83.1	Confident	92 Å²	92	73.5 Å²	73.5	49%	0.492	41%	0.405	S	S	.	.	S	Bend	trans	-123.9	85.9	-179.7	-82	-25.9	0	0	0	112	I52 L56 R110	I52-D54 WeakPolarHBondContact CG2-O 3.15Å; D54-L56 PolarHBondContact O-N 2.84Å; D54-L56 VanDerWaalsContact O-N 3.16Å; D54-R110 IonicContact OD2-NH1 2.93Å; D54-R110 PolarHBondContact OD2-NH1 2.91Å
55	P	77.5	Confident	83.2	Confident	22 Å²	22	67.3 Å²	67.3	14%	0.143	38%	0.376	C	S	.	.			trans	-69.9	112.9	178.7	26.6	-32.8	0	0	0	110.4	F38 I52 R57	F38-P55 HydrophobicContact CB-CG 4.16Å; F38-P55 HydrophobicContact CD2-CG 4.46Å; I52-P55 HydrophobicContact CD1-CB 4.34Å; I52-P55 HydrophobicContact CG2-CB 4.05Å; I52-P55 VanDerWaalsContact CG2-N 3.29Å; P55-R57 PolarHBondContact O-N 3.49Å
56	L	81.4	Confident	83.2	Confident	41 Å²	41	68 Å²	68	22%	0.215	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	110.2	175.5	-167.7	77.1	0	0	0	109.7	L35 D54 F64 A65 W70 L103	L35-L56 HydrophobicContact CD2-CD1 3.76Å; L35-L56 HydrophobicContact CG-CD1 4.43Å; D54-L56 PolarHBondContact O-N 2.84Å; D54-L56 VanDerWaalsContact O-N 3.16Å; L56-F64 VanDerWaalsContact O-CA 3.29Å; L56-F64 WeakPolarHBondContact O-CA 3.17Å; L56-A65 PolarHBondContact N-O 2.08Å; L56-A65 VanDerWaalsContact N-O 3.15Å; L56-A65 PolarHBondContact O-N 2.88Å; L56-W70 HydrophobicContact CD2-CG 4.49Å; L56-W70 PolarHBondContact O-NE1 3.35Å; L56-L103 HydrophobicContact CD2-CD1 4.13Å; L56-L103 HydrophobicContact CD2-CD2 3.19Å; L56-L103 HydrophobicContact CD2-CG 3.93Å
57	R	84.5	Confident	83.2	Confident	104 Å²	104	66.1 Å²	66.1	39%	0.392	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127.9	176	177.4	175.4	47.8	-179.3	-9.2	110.5	F38 P55 H63 F64	F38-R57 VanDerWaalsContact CZ-NH2 3.35Å; P55-R57 PolarHBondContact O-N 3.49Å; R57-H63 WeakPolarHBondContact CA-O 3.42Å; R57-F64 HydrophobicContact CB-CB 4.04Å
58	L	84.3	Confident	83.1	Confident	15 Å²	15	64.6 Å²	64.6	8%	0.079	36%	0.36	C	S	.	.			trans	-76.9	133.9	176.7	-167.2	64.5	0	0	0	110.6	S60 G62 H63 C88 L95 T99	L58-S60 VanDerWaalsContact C-N 3.28Å; L58-S60 WeakPolarHBondContact CD2-OG 3.19Å; L58-S60 WeakPolarHBondContact CG-OG 3.13Å; L58-S60 PolarHBondContact O-N 3.03Å; L58-G62 VanDerWaalsContact O-CA 3.26Å; L58-G62 WeakPolarHBondContact O-CA 3.37Å; L58-G62 PolarHBondContact O-N 3.09Å; L58-H63 PolarHBondContact N-O 3.05Å; L58-C88 HydrophobicContact CD2-CB 4.44Å; L58-L95 HydrophobicContact CD1-CD2 4.19Å; L58-L95 HydrophobicContact CD2-CD2 3.38Å; L58-L95 HydrophobicContact CG-CD2 4.45Å; L58-T99 HydrophobicContact CD1-CG2 3.71Å
59	S	80.6	Confident	83.1	Confident	87 Å²	87	62.6 Å²	62.6	61%	0.608	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-24.3	-179.6	53.7	0	0	0	0	113.4	E34	E34-S59 PolarHBondContact OE1-OG 2.65Å
60	S	80.8	Confident	83.3	Confident	53 Å²	53	56.9 Å²	56.9	37%	0.371	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-51.8	-175.9	71.2	0	0	0	0	112.9	L58 E93	L58-S60 VanDerWaalsContact C-N 3.28Å; L58-S60 WeakPolarHBondContact CD2-OG 3.19Å; L58-S60 WeakPolarHBondContact CG-OG 3.13Å; L58-S60 PolarHBondContact O-N 3.03Å; S60-E93 VanDerWaalsContact CB-CD 3.43Å; S60-E93 WeakPolarHBondContact CB-OE1 3.27Å; S60-E93 WeakPolarHBondContact CB-OE2 3.32Å; S60-E93 VanDerWaalsContact OG-CD 3.23Å; S60-E93 PolarHBondContact OG-OE2 3.27Å
61	C	88.9	Confident	83.4	Confident	35 Å²	35	52 Å²	52	24%	0.236	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-15.8	-177.9	57.2	0	0	0	0	114.5	H63 C88 C91 E93	C61-H63 VanDerWaalsContact C-N 3.26Å; C61-H63 WeakPolarHBondContact CB-ND1 3.48Å; C61-H63 PolarHBondContact O-N 3.42Å; C61-H63 PolarHBondContact SG-ND1 2.73Å; C61-C88 PolarHBondContact SG-SG 3.11Å; C61-C91 WeakPolarHBondContact CB-SG 3.38Å; C61-E93 WeakPolarHBondContact CA-OE2 3.28Å; C61-E93 WeakPolarHBondContact CB-OE2 3.37Å; C61-E93 PolarHBondContact N-OE2 3.22Å
62	G	86.5	Confident	83.8	Confident	40 Å²	40	50.4 Å²	50.4	41%	0.412	28%	0.278	S	S	.	.			trans	77	1.2	-175.5	0	0	0	0	0	115.5	L58	L58-G62 VanDerWaalsContact O-CA 3.26Å; L58-G62 WeakPolarHBondContact O-CA 3.37Å; L58-G62 PolarHBondContact O-N 3.09Å
63	H	89.7	Confident	84.6	Confident	68 Å²	68	51.5 Å²	51.5	32%	0.315	28%	0.282	S	S	.	.			trans	-72.4	146.9	175	-61.3	119.9	0	0	0	111.6	R57 L58 C61 A90 C91	R57-H63 WeakPolarHBondContact CA-O 3.42Å; L58-H63 PolarHBondContact N-O 3.05Å; C61-H63 VanDerWaalsContact C-N 3.26Å; C61-H63 WeakPolarHBondContact CB-ND1 3.48Å; C61-H63 PolarHBondContact O-N 3.42Å; C61-H63 PolarHBondContact SG-ND1 2.73Å; H63-A90 HydrophobicContact CB-CB 4.06Å; H63-C91 VanDerWaalsContact CE1-SG 3.55Å; H63-C91 PolarHBondContact ND1-SG 3.38Å; H63-C91 VanDerWaalsContact ND1-SG 3.38Å
64	F	88.2	Confident	85.7	Confident	88 Å²	88	42.5 Å²	42.5	39%	0.386	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	148.3	-178.9	69.8	-85.2	0	0	0	111.7	P46 I52 L56 R57	P46-F64 HydrophobicContact CG-CE2 4.32Å; P46-F64 WeakPolarHBondContact CG-O 3.35Å; I52-F64 HydrophobicContact CD1-CD2 4.38Å; L56-F64 VanDerWaalsContact O-CA 3.29Å; L56-F64 WeakPolarHBondContact O-CA 3.17Å; R57-F64 HydrophobicContact CB-CB 4.04Å
65	A	88.2	Confident	86.7	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	169.1	170.3	0	0	0	0	0	109.9	V47 L56 C69 W70	V47-A65 HydrophobicContact CG2-CB 4.07Å; L56-A65 PolarHBondContact N-O 2.08Å; L56-A65 VanDerWaalsContact N-O 3.15Å; L56-A65 PolarHBondContact O-N 2.88Å; A65-C69 HydrophobicContact CB-CB 4.26Å; A65-W70 HydrophobicContact CB-CG 4.48Å
66	C	87.9	Confident	87.1	Confident	16 Å²	16	39.7 Å²	39.7	11%	0.108	23%	0.227	C	C	.	.			trans	-63.7	148.7	175.2	89.4	0	0	0	0	111.4	C45 I52 V68 C69 W70	C45-C66 HydrophobicContact CB-CB 4.09Å; C45-C66 PolarHBondContact SG-N 3.36Å; I52-C66 HydrophobicContact CD1-CB 4.47Å; I52-C66 HydrophobicContact CG1-CB 4.13Å; I52-C66 HydrophobicContact CG2-CB 4.48Å; C66-V68 VanDerWaalsContact C-N 3.28Å; C66-V68 PolarHBondContact O-N 3.06Å; C66-C69 HydrophobicContact CB-CB 4.22Å; C66-C69 WeakPolarHBondContact CB-SG 3.32Å; C66-C69 WeakPolarHBondContact O-CB 3.2Å; C66-C69 PolarHBondContact O-N 3.25Å; C66-C69 VanDerWaalsContact O-N 3.09Å; C66-C69 WeakPolarHBondContact SG-CB 3.44Å; C66-C69 PolarHBondContact SG-N 3.09Å; C66-C69 CovalentContact SG-SG 2.08Å; C66-C69 PolarHBondContact SG-SG 3.36Å; C66-W70 PolarHBondContact O-N 3.42Å
67	S	86	Confident	87.5	Confident	38 Å²	38	40 Å²	40	27%	0.266	23%	0.228	S	C	.	.	H	α-helix	trans	-55.5	-42.8	178.8	58.4	0	0	0	0	112	C69 W70 R71	S67-C69 VanDerWaalsContact C-N 3.32Å; S67-C69 PolarHBondContact O-N 3.16Å; S67-W70 PolarHBondContact O-N 2.94Å; S67-R71 VanDerWaalsContact O-CG 3.31Å; S67-R71 WeakPolarHBondContact O-CG 3.43Å; S67-R71 PolarHBondContact O-N 3.33Å
68	V	87	Confident	87.7	Confident	46 Å²	46	35 Å²	35	28%	0.279	21%	0.209	S	C	.	.	H	α-helix	trans	-61.2	-40.6	177.4	-178	0	0	0	0	111.8	C66 R71 N72	C66-V68 VanDerWaalsContact C-N 3.28Å; C66-V68 PolarHBondContact O-N 3.06Å; V68-R71 PolarHBondContact O-N 2.65Å; V68-N72 WeakPolarHBondContact O-CB 3.31Å; V68-N72 VanDerWaalsContact O-CG 3.24Å; V68-N72 PolarHBondContact O-N 2.88Å; V68-N72 PolarHBondContact O-ND2 3.08Å
69	C	89.9	Confident	87.8	Confident	12 Å²	12	38.5 Å²	38.5	8%	0.081	23%	0.225	C	C	.	.	H	α-helix	trans	-65.6	-44.8	-179.3	-54	0	0	0	0	110.5	C45 V47 C48 A65 C66 S67 F73	C45-C69 PolarHBondContact SG-SG 3.31Å; V47-C69 HydrophobicContact CB-CB 4.16Å; V47-C69 HydrophobicContact CG1-CB 4.23Å; C48-C69 PolarHBondContact SG-SG 3.31Å; A65-C69 HydrophobicContact CB-CB 4.26Å; C66-C69 HydrophobicContact CB-CB 4.22Å; C66-C69 WeakPolarHBondContact CB-SG 3.32Å; C66-C69 WeakPolarHBondContact O-CB 3.2Å; C66-C69 PolarHBondContact O-N 3.25Å; C66-C69 VanDerWaalsContact O-N 3.09Å; C66-C69 WeakPolarHBondContact SG-CB 3.44Å; C66-C69 PolarHBondContact SG-N 3.09Å; C66-C69 CovalentContact SG-SG 2.08Å; C66-C69 PolarHBondContact SG-SG 3.36Å; S67-C69 VanDerWaalsContact C-N 3.32Å; S67-C69 PolarHBondContact O-N 3.16Å; C69-F73 VanDerWaalsContact O-CB 3.27Å; C69-F73 WeakPolarHBondContact O-CB 3.45Å; C69-F73 PolarHBondContact O-N 3.06Å
70	W	89.8	Confident	87.9	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.008	23%	0.225	C	C	.	.	H	α-helix	trans	-61.3	-47.2	173.8	-82.7	118.2	0	0	0	112.2	L56 A65 C66 S67 F73 I74 C88 I89 L95 L103	L56-W70 HydrophobicContact CD2-CG 4.49Å; L56-W70 PolarHBondContact O-NE1 3.35Å; A65-W70 HydrophobicContact CB-CG 4.48Å; C66-W70 PolarHBondContact O-N 3.42Å; S67-W70 PolarHBondContact O-N 2.94Å; W70-F73 PolarHBondContact O-N 2.97Å; W70-I74 WeakPolarHBondContact O-CB 3.45Å; W70-I74 VanDerWaalsContact O-CG1 3.3Å; W70-I74 WeakPolarHBondContact O-CG1 3.46Å; W70-I74 PolarHBondContact O-N 2.96Å; W70-C88 HydrophobicContact CH2-CB 4.28Å; W70-I89 HydrophobicContact CE3-CB 4.43Å; W70-I89 HydrophobicContact CH2-CB 4.24Å; W70-I89 HydrophobicContact CH2-CG2 3.81Å; W70-I89 HydrophobicContact CZ2-CG2 3.95Å; W70-I89 HydrophobicContact CZ3-CB 4.03Å; W70-I89 HydrophobicContact CZ3-CG2 4.08Å; W70-L95 HydrophobicContact CH2-CD2 4.43Å; W70-L95 HydrophobicContact CZ3-CD1 4.29Å; W70-L95 HydrophobicContact CZ3-CD2 4.22Å; W70-L103 HydrophobicContact CB-CD1 4.19Å; W70-L103 HydrophobicContact CB-CD2 3.91Å; W70-L103 HydrophobicContact CG-CD1 4.44Å; W70-L103 HydrophobicContact CG-CD2 4.48Å
71	R	89.1	Confident	87.5	Confident	18 Å²	18	44.8 Å²	44.8	7%	0.068	24%	0.24	C	C	.	.	H	α-helix	trans	-61.2	-47.4	179.4	-72.2	-177.8	-151.4	-109.8	23.1	112.3	S67 V68 F73 I74 S75 L103 A106 Y123	S67-R71 VanDerWaalsContact O-CG 3.31Å; S67-R71 WeakPolarHBondContact O-CG 3.43Å; S67-R71 PolarHBondContact O-N 3.33Å; V68-R71 PolarHBondContact O-N 2.65Å; R71-F73 PolarHBondContact O-N 3.47Å; R71-I74 PolarHBondContact O-N 3.25Å; R71-S75 VanDerWaalsContact O-CB 3.24Å; R71-S75 WeakPolarHBondContact O-CB 3.48Å; R71-S75 PolarHBondContact O-N 3.36Å; R71-L103 WeakPolarHBondContact CG-O 3.42Å; R71-L103 VanDerWaalsContact CZ-O 3.3Å; R71-L103 PolarHBondContact NH1-O 2.83Å; R71-A106 VanDerWaalsContact NH1-C 3.33Å; R71-A106 VanDerWaalsContact NH2-C 3.27Å; R71-A106 PolarHBondContact NH2-O 2.85Å; R71-A106 VanDerWaalsContact NH2-O 3.14Å; R71-Y123 HydrophobicContact CB-CD1 4.12Å; R71-Y123 HydrophobicContact CB-CE1 3.69Å
72	N	88.9	Confident	86.6	Confident	67 Å²	67	44.4 Å²	44.4	36%	0.358	24%	0.24	S	C	.	.	H	α-helix	trans	-64.3	-41.2	178.5	-69.2	-19.3	0	0	0	111.8	V68 S76 Y123	V68-N72 WeakPolarHBondContact O-CB 3.31Å; V68-N72 VanDerWaalsContact O-CG 3.24Å; V68-N72 PolarHBondContact O-N 2.88Å; V68-N72 PolarHBondContact O-ND2 3.08Å; N72-S76 VanDerWaalsContact O-CB 3.28Å; N72-S76 WeakPolarHBondContact O-CB 3.49Å; N72-S76 PolarHBondContact O-N 2.88Å; N72-Y123 PolarHBondContact OD1-OH 3.02Å
73	F	90.6	Very high	86.3	Confident	48 Å²	48	43.6 Å²	43.6	21%	0.211	23%	0.226	C	C	.	.	H	α-helix	trans	-62.9	-48.5	176.7	178.5	-96.6	0	0	0	111.5	C69 W70 R71 S76 Q77 T87 I89	C69-F73 VanDerWaalsContact O-CB 3.27Å; C69-F73 WeakPolarHBondContact O-CB 3.45Å; C69-F73 PolarHBondContact O-N 3.06Å; W70-F73 PolarHBondContact O-N 2.97Å; R71-F73 PolarHBondContact O-N 3.47Å; F73-S76 PolarHBondContact O-N 3.46Å; F73-Q77 HydrophobicContact CD1-CG 4.28Å; F73-Q77 HydrophobicContact CE1-CG 3.89Å; F73-Q77 HydrophobicContact CE2-CG 4.37Å; F73-Q77 HydrophobicContact CZ-CG 3.95Å; F73-Q77 VanDerWaalsContact O-CG 3.26Å; F73-Q77 WeakPolarHBondContact O-CG 3.44Å; F73-Q77 PolarHBondContact O-N 3.45Å; F73-T87 VanDerWaalsContact CE1-O 3.29Å; F73-T87 WeakPolarHBondContact CE1-O 3.27Å; F73-I89 HydrophobicContact CB-CD1 3.85Å; F73-I89 HydrophobicContact CD1-CB 4.32Å; F73-I89 HydrophobicContact CD2-CD1 4.05Å; F73-I89 HydrophobicContact CD2-CG1 3.9Å; F73-I89 HydrophobicContact CE1-CB 4.46Å; F73-I89 HydrophobicContact CE2-CG1 4.22Å; F73-I89 HydrophobicContact CG-CB 4.36Å; F73-I89 HydrophobicContact CG-CD1 3.92Å; F73-I89 HydrophobicContact CG-CG1 4.05Å
74	I	90.3	Very high	85.5	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-63.1	-46.4	178.5	-71.7	171.7	0	0	0	111.2	W70 R71 S76 Q77 I78 L86 L95 V100 L103 L104	W70-I74 WeakPolarHBondContact O-CB 3.45Å; W70-I74 VanDerWaalsContact O-CG1 3.3Å; W70-I74 WeakPolarHBondContact O-CG1 3.46Å; W70-I74 PolarHBondContact O-N 2.96Å; R71-I74 PolarHBondContact O-N 3.25Å; I74-S76 VanDerWaalsContact C-N 3.33Å; I74-S76 PolarHBondContact O-N 3.28Å; I74-Q77 PolarHBondContact O-N 3.14Å; I74-Q77 VanDerWaalsContact O-N 3.16Å; I74-I78 HydrophobicContact CG2-CD1 3.67Å; I74-I78 HydrophobicContact CG2-CG1 4.41Å; I74-I78 VanDerWaalsContact O-CG1 3.3Å; I74-I78 WeakPolarHBondContact O-CG1 3.46Å; I74-I78 PolarHBondContact O-N 3.36Å; I74-L86 HydrophobicContact CG2-CD1 4.49Å; I74-L95 HydrophobicContact CD1-CD1 4.03Å; I74-L95 HydrophobicContact CG1-CD1 4.08Å; I74-V100 HydrophobicContact CG2-CG1 3.85Å; I74-L103 HydrophobicContact CD1-CB 3.93Å; I74-L103 HydrophobicContact CD1-CD1 3.38Å; I74-L103 HydrophobicContact CD1-CG 4.27Å; I74-L104 HydrophobicContact CG2-CD1 3.94Å; I74-L104 HydrophobicContact CG2-CD2 4.06Å; I74-L104 HydrophobicContact CG2-CG 4.08Å
75	S	89.6	Confident	85.1	Confident	2 Å²	2	42.1 Å²	42.1	1%	0.014	22%	0.224	C	C	.	.	H	α-helix	trans	-59	-44.4	177.5	-179.6	0	0	0	0	111.1	R71 Q77 I78 E79 S126	R71-S75 VanDerWaalsContact O-CB 3.24Å; R71-S75 WeakPolarHBondContact O-CB 3.48Å; R71-S75 PolarHBondContact O-N 3.36Å; S75-Q77 PolarHBondContact O-N 2.8Å; S75-I78 PolarHBondContact O-N 2.98Å; S75-E79 WeakPolarHBondContact O-CG 3.41Å; S75-E79 PolarHBondContact O-N 3.31Å; S75-S126 PolarHBondContact OG-OG 3.16Å
76	S	88	Confident	85.1	Confident	52 Å²	52	42.4 Å²	42.4	36%	0.364	23%	0.226	S	C	.	.	H	α-helix	trans	-62.8	-39	174.9	-177	0	0	0	0	113	N72 F73 I74 E79 N80	N72-S76 VanDerWaalsContact O-CB 3.28Å; N72-S76 WeakPolarHBondContact O-CB 3.49Å; N72-S76 PolarHBondContact O-N 2.88Å; F73-S76 PolarHBondContact O-N 3.46Å; I74-S76 VanDerWaalsContact C-N 3.33Å; I74-S76 PolarHBondContact O-N 3.28Å; S76-E79 PolarHBondContact O-N 3.44Å; S76-N80 WeakPolarHBondContact O-CB 3.39Å; S76-N80 VanDerWaalsContact O-CG 3.29Å; S76-N80 PolarHBondContact O-N 2.87Å; S76-N80 PolarHBondContact O-ND2 3.28Å; S76-N80 PolarHBondContact OG-ND2 2.82Å
77	Q	88.6	Confident	85.2	Confident	47 Å²	47	43.5 Å²	43.5	22%	0.22	23%	0.232	C	C	.	.	H	α-helix	trans	-66.9	-37.5	176	-69.3	-68.4	-17.1	0	0	112.1	F73 I74 S75 N80 A82 L86	F73-Q77 HydrophobicContact CD1-CG 4.28Å; F73-Q77 HydrophobicContact CE1-CG 3.89Å; F73-Q77 HydrophobicContact CE2-CG 4.37Å; F73-Q77 HydrophobicContact CZ-CG 3.95Å; F73-Q77 VanDerWaalsContact O-CG 3.26Å; F73-Q77 WeakPolarHBondContact O-CG 3.44Å; F73-Q77 PolarHBondContact O-N 3.45Å; I74-Q77 PolarHBondContact O-N 3.14Å; I74-Q77 VanDerWaalsContact O-N 3.16Å; S75-Q77 PolarHBondContact O-N 2.8Å; Q77-N80 PolarHBondContact O-N 2.97Å; Q77-A82 HydrophobicContact CB-CB 4.46Å; Q77-A82 WeakPolarHBondContact O-CB 3.48Å; Q77-A82 PolarHBondContact O-N 2.82Å; Q77-L86 HydrophobicContact CB-CD2 3.41Å; Q77-L86 VanDerWaalsContact CB-CD2 3.41Å; Q77-L86 HydrophobicContact CG-CD2 4.4Å
78	I	89	Confident	85.4	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-65.8	-45	175.6	-71.4	167.3	0	0	0	110.9	I74 S75 N80 F81 L83 L86 L104 R129 Y130	I74-I78 HydrophobicContact CG2-CD1 3.67Å; I74-I78 HydrophobicContact CG2-CG1 4.41Å; I74-I78 VanDerWaalsContact O-CG1 3.3Å; I74-I78 WeakPolarHBondContact O-CG1 3.46Å; I74-I78 PolarHBondContact O-N 3.36Å; S75-I78 PolarHBondContact O-N 2.98Å; I78-N80 VanDerWaalsContact C-N 3.32Å; I78-N80 PolarHBondContact O-N 2.89Å; I78-F81 PolarHBondContact O-N 3.07Å; I78-L83 HydrophobicContact CB-CD2 4.3Å; I78-L83 HydrophobicContact CG1-CD2 4.11Å; I78-L83 HydrophobicContact CG2-CD2 3.81Å; I78-L86 HydrophobicContact CG1-CD1 4.35Å; I78-L86 HydrophobicContact CG1-CD2 4.23Å; I78-L104 HydrophobicContact CD1-CD1 3.68Å; I78-R129 HydrophobicContact CG2-CB 4.34Å; I78-R129 HydrophobicContact CG2-CG 4.34Å; I78-Y130 HydrophobicContact CD1-CG 4.41Å
79	E	85.7	Confident	85.5	Confident	87 Å²	87	41.9 Å²	41.9	41%	0.407	22%	0.219	S	C	.	.	H	α-helix	trans	-63.3	-37.7	176.5	-73.1	175.2	-179.3	0	0	111.8	S75 S76 F81 Q122	S75-E79 WeakPolarHBondContact O-CG 3.41Å; S75-E79 PolarHBondContact O-N 3.31Å; S76-E79 PolarHBondContact O-N 3.44Å; E79-F81 WeakPolarHBondContact O-CD2 3.46Å; E79-F81 PolarHBondContact O-N 3.32Å; E79-F81 VanDerWaalsContact O-N 3.12Å; E79-Q122 PolarHBondContact OE1-NE2 3.16Å
80	N	83.4	Confident	85.4	Confident	115 Å²	115	44.5 Å²	44.5	62%	0.615	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.9	19.5	175.5	-70.2	-41.9	0	0	0	114.1	S76 Q77 I78 A82	S76-N80 WeakPolarHBondContact O-CB 3.39Å; S76-N80 VanDerWaalsContact O-CG 3.29Å; S76-N80 PolarHBondContact O-N 2.87Å; S76-N80 PolarHBondContact O-ND2 3.28Å; S76-N80 PolarHBondContact OG-ND2 2.82Å; Q77-N80 PolarHBondContact O-N 2.97Å; I78-N80 VanDerWaalsContact C-N 3.32Å; I78-N80 PolarHBondContact O-N 2.89Å; N80-A82 PolarHBondContact O-N 3.01Å; N80-A82 VanDerWaalsContact O-N 3.11Å
81	F	71.2	Confident	85.4	Confident	158 Å²	158	46.1 Å²	46.1	69%	0.693	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	20.1	177.3	-61.7	-96.2	0	0	0	115.1	I78 E79 L83 R129	I78-F81 PolarHBondContact O-N 3.07Å; E79-F81 WeakPolarHBondContact O-CD2 3.46Å; E79-F81 PolarHBondContact O-N 3.32Å; E79-F81 VanDerWaalsContact O-N 3.12Å; F81-L83 PolarHBondContact O-N 3.49Å; F81-R129 VanDerWaalsContact CD1-NH2 3.31Å
82	A	71.8	Confident	85.2	Confident	27 Å²	27	50.7 Å²	50.7	22%	0.223	29%	0.287	C	S	.	.			trans	-86	27.4	176.2	0	0	0	0	0	113	Q77 N80 A84 H85 L86	Q77-A82 HydrophobicContact CB-CB 4.46Å; Q77-A82 WeakPolarHBondContact O-CB 3.48Å; Q77-A82 PolarHBondContact O-N 2.82Å; N80-A82 PolarHBondContact O-N 3.01Å; N80-A82 VanDerWaalsContact O-N 3.11Å; A82-A84 PolarHBondContact O-N 3.44Å; A82-A84 VanDerWaalsContact O-N 3.08Å; A82-H85 CarbonylContact O-C 3.52Å; A82-H85 PolarHBondContact O-N 2.66Å; A82-L86 PolarHBondContact O-N 2.87Å
83	L	78.9	Confident	85.2	Confident	22 Å²	22	51 Å²	51	12%	0.115	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-36.5	-175.3	-72.3	158.1	0	0	0	113.8	I78 F81 R129 Y130 F133	I78-L83 HydrophobicContact CB-CD2 4.3Å; I78-L83 HydrophobicContact CG1-CD2 4.11Å; I78-L83 HydrophobicContact CG2-CD2 3.81Å; F81-L83 PolarHBondContact O-N 3.49Å; L83-R129 HydrophobicContact CD2-CG 4.42Å; L83-Y130 HydrophobicContact CD2-CD2 4.04Å; L83-F133 HydrophobicContact CB-CB 4.27Å; L83-F133 HydrophobicContact CB-CD1 3.88Å; L83-F133 HydrophobicContact CB-CD2 3.79Å; L83-F133 HydrophobicContact CB-CE1 4.19Å; L83-F133 HydrophobicContact CB-CE2 4.09Å; L83-F133 HydrophobicContact CB-CG 3.68Å; L83-F133 HydrophobicContact CB-CZ 4.3Å; L83-F133 HydrophobicContact CD1-CB 4.15Å; L83-F133 HydrophobicContact CD1-CD2 4.21Å; L83-F133 HydrophobicContact CD1-CG 4.27Å; L83-F133 HydrophobicContact CD2-CB 4.13Å; L83-F133 HydrophobicContact CD2-CG 4.41Å; L83-F133 HydrophobicContact CG-CB 4.43Å; L83-F133 HydrophobicContact CG-CG 4.35Å; L83-F133 WeakPolarHBondContact O-CE1 3.46Å
84	A	73.1	Confident	85.1	Confident	25 Å²	25	53.4 Å²	53.4	21%	0.207	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-24.6	-177.6	0	0	0	0	0	114.5	A82 F133 S366	A82-A84 PolarHBondContact O-N 3.44Å; A82-A84 VanDerWaalsContact O-N 3.08Å; A84-F133 VanDerWaalsContact CA-CZ 3.47Å; A84-F133 HydrophobicContact CB-CE1 4.39Å; A84-F133 HydrophobicContact CB-CE2 4.27Å; A84-F133 HydrophobicContact CB-CZ 3.61Å; A84-S366 WeakPolarHBondContact CB-O 3.37Å
85	H	80.6	Confident	85	Confident	100 Å²	100	54 Å²	54	46%	0.463	30%	0.304	S	S	.	.			trans	-133.3	52.2	-168.7	-64.5	-57.4	0	0	0	111.1	A82 T87 L94	A82-H85 CarbonylContact O-C 3.52Å; A82-H85 PolarHBondContact O-N 2.66Å; H85-T87 PolarHBondContact O-N 3.42Å; H85-L94 HydrophobicContact CB-CD2 4.15Å
86	L	86.7	Confident	84.9	Confident	7 Å²	7	58.9 Å²	58.9	4%	0.037	33%	0.327	C	S	.	.			trans	-66.3	116.6	171.5	-62.5	179.6	0	0	0	109.3	I74 Q77 I78 A82 L94 L95 V100 Y130	I74-L86 HydrophobicContact CG2-CD1 4.49Å; Q77-L86 HydrophobicContact CB-CD2 3.41Å; Q77-L86 VanDerWaalsContact CB-CD2 3.41Å; Q77-L86 HydrophobicContact CG-CD2 4.4Å; I78-L86 HydrophobicContact CG1-CD1 4.35Å; I78-L86 HydrophobicContact CG1-CD2 4.23Å; A82-L86 PolarHBondContact O-N 2.87Å; L86-L94 WeakPolarHBondContact O-CA 3.29Å; L86-L95 HydrophobicContact CB-CB 4.48Å; L86-L95 HydrophobicContact CB-CD1 4.4Å; L86-L95 PolarHBondContact O-N 3.08Å; L86-V100 HydrophobicContact CD1-CB 4.37Å; L86-V100 HydrophobicContact CD1-CG1 3.69Å; L86-V100 HydrophobicContact CD1-CG2 3.79Å; L86-Y130 HydrophobicContact CD1-CD2 3.89Å; L86-Y130 HydrophobicContact CD1-CE2 3.43Å; L86-Y130 VanDerWaalsContact CD1-CE2 3.43Å; L86-Y130 HydrophobicContact CG-CE2 4.39Å
87	T	90.3	Very high	84.9	Confident	39 Å²	39	59.3 Å²	59.3	24%	0.239	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-105.1	167.4	-177.2	48.9	0	0	0	0	111.8	F73 H85 E93 L95	F73-T87 VanDerWaalsContact CE1-O 3.29Å; F73-T87 WeakPolarHBondContact CE1-O 3.27Å; H85-T87 PolarHBondContact O-N 3.42Å; T87-E93 CarbonylContact C-O 3.4Å; T87-E93 WeakPolarHBondContact CA-O 3.17Å; T87-L95 WeakPolarHBondContact O-CD1 3.38Å
88	C	90.9	Very high	84.9	Confident	4 Å²	4	59.6 Å²	59.6	3%	0.027	34%	0.335	C	S	.	.			trans	-67.5	146.6	169.8	166.6	0	0	0	0	110.7	L58 C61 W70 A90 C91 E93	L58-C88 HydrophobicContact CD2-CB 4.44Å; C61-C88 PolarHBondContact SG-SG 3.11Å; W70-C88 HydrophobicContact CH2-CB 4.28Å; C88-A90 PolarHBondContact O-N 3.42Å; C88-A90 VanDerWaalsContact O-N 3.14Å; C88-A90 PolarHBondContact SG-N 3.31Å; C88-A90 VanDerWaalsContact SG-N 3.43Å; C88-C91 CarbonylContact C-O 3.55Å; C88-C91 WeakPolarHBondContact CB-O 3.5Å; C88-C91 VanDerWaalsContact CB-SG 3.56Å; C88-C91 PolarHBondContact N-O 3.48Å; C88-C91 PolarHBondContact O-N 3.31Å; C88-E93 PolarHBondContact N-O 2.96Å
89	I	89.6	Confident	84.9	Confident	46 Å²	46	60.9 Å²	60.9	24%	0.236	34%	0.343	C	S	.	.	S	Bend	trans	-59.7	-25.1	179.4	-162.8	157.4	0	0	0	114.3	V47 W70 F73	V47-I89 HydrophobicContact CG1-CD1 4.17Å; V47-I89 HydrophobicContact CG2-CD1 3.7Å; V47-I89 HydrophobicContact CG2-CG1 4.32Å; W70-I89 HydrophobicContact CE3-CB 4.43Å; W70-I89 HydrophobicContact CH2-CB 4.24Å; W70-I89 HydrophobicContact CH2-CG2 3.81Å; W70-I89 HydrophobicContact CZ2-CG2 3.95Å; W70-I89 HydrophobicContact CZ3-CB 4.03Å; W70-I89 HydrophobicContact CZ3-CG2 4.08Å; F73-I89 HydrophobicContact CB-CD1 3.85Å; F73-I89 HydrophobicContact CD1-CB 4.32Å; F73-I89 HydrophobicContact CD2-CD1 4.05Å; F73-I89 HydrophobicContact CD2-CG1 3.9Å; F73-I89 HydrophobicContact CE1-CB 4.46Å; F73-I89 HydrophobicContact CE2-CG1 4.22Å; F73-I89 HydrophobicContact CG-CB 4.36Å; F73-I89 HydrophobicContact CG-CD1 3.92Å; F73-I89 HydrophobicContact CG-CG1 4.05Å
90	A	88	Confident	85.1	Confident	66 Å²	66	56.7 Å²	56.7	55%	0.545	32%	0.324	S	S	.	.	S	Bend	trans	-112.2	-16.8	-176.9	0	0	0	0	0	113.9	H63 C88	H63-A90 HydrophobicContact CB-CB 4.06Å; C88-A90 PolarHBondContact O-N 3.42Å; C88-A90 VanDerWaalsContact O-N 3.14Å; C88-A90 PolarHBondContact SG-N 3.31Å; C88-A90 VanDerWaalsContact SG-N 3.43Å
91	C	89.7	Confident	85.4	Confident	37 Å²	37	53.7 Å²	53.7	25%	0.25	31%	0.307	C	S	.	.	S	Bend	trans	-145.6	161.2	-178.4	68.6	0	0	0	0	112.8	C61 H63 C88 E93	C61-C91 WeakPolarHBondContact CB-SG 3.38Å; H63-C91 VanDerWaalsContact CE1-SG 3.55Å; H63-C91 PolarHBondContact ND1-SG 3.38Å; H63-C91 VanDerWaalsContact ND1-SG 3.38Å; C88-C91 CarbonylContact C-O 3.55Å; C88-C91 WeakPolarHBondContact CB-O 3.5Å; C88-C91 VanDerWaalsContact CB-SG 3.56Å; C88-C91 PolarHBondContact N-O 3.48Å; C88-C91 PolarHBondContact O-N 3.31Å; C91-E93 PolarHBondContact O-N 2.99Å
92	S	85.2	Confident	86.1	Confident	114 Å²	114	52.4 Å²	52.4	80%	0.797	30%	0.303	S	S	*	.	S	Bend	trans	-76.5	24.9	-179.7	62.8	0	0	0	0	114.4
93	E	88.1	Confident	86.9	Confident	74 Å²	74	51.7 Å²	51.7	35%	0.346	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-85	136.7	177.3	-170.1	174	-148.5	0	0	110.1	S60 C61 T87 C88 C91	S60-E93 VanDerWaalsContact CB-CD 3.43Å; S60-E93 WeakPolarHBondContact CB-OE1 3.27Å; S60-E93 WeakPolarHBondContact CB-OE2 3.32Å; S60-E93 VanDerWaalsContact OG-CD 3.23Å; S60-E93 PolarHBondContact OG-OE2 3.27Å; C61-E93 WeakPolarHBondContact CA-OE2 3.28Å; C61-E93 WeakPolarHBondContact CB-OE2 3.37Å; C61-E93 PolarHBondContact N-OE2 3.22Å; T87-E93 CarbonylContact C-O 3.4Å; T87-E93 WeakPolarHBondContact CA-O 3.17Å; C88-E93 PolarHBondContact N-O 2.96Å; C91-E93 PolarHBondContact O-N 2.99Å
94	L	87.4	Confident	87.3	Confident	98 Å²	98	50.9 Å²	50.9	51%	0.513	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-74.3	131.3	-178.7	-72.5	151.9	0	0	0	111	H85 L86	H85-L94 HydrophobicContact CB-CD2 4.15Å; L86-L94 WeakPolarHBondContact O-CA 3.29Å
95	L	88.5	Confident	87.9	Confident	12 Å²	12	51.9 Å²	51.9	6%	0.063	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-72.5	138.1	173.5	-64.2	176.1	0	0	0	110.2	L58 W70 I74 L86 T87 V100	L58-L95 HydrophobicContact CD1-CD2 4.19Å; L58-L95 HydrophobicContact CD2-CD2 3.38Å; L58-L95 HydrophobicContact CG-CD2 4.45Å; W70-L95 HydrophobicContact CH2-CD2 4.43Å; W70-L95 HydrophobicContact CZ3-CD1 4.29Å; W70-L95 HydrophobicContact CZ3-CD2 4.22Å; I74-L95 HydrophobicContact CD1-CD1 4.03Å; I74-L95 HydrophobicContact CG1-CD1 4.08Å; L86-L95 HydrophobicContact CB-CB 4.48Å; L86-L95 HydrophobicContact CB-CD1 4.4Å; L86-L95 PolarHBondContact O-N 3.08Å; T87-L95 WeakPolarHBondContact O-CD1 3.38Å; L95-V100 HydrophobicContact CB-CG2 3.78Å; L95-V100 HydrophobicContact CD1-CG2 4.21Å
96	Q	87.5	Confident	87.5	Confident	106 Å²	106	48.9 Å²	48.9	50%	0.495	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-69.7	142.6	172.4	-68.2	-174.2	-13.9	0	0	110.4	S98 T99 V100	Q96-S98 PolarHBondContact O-N 3.19Å; Q96-T99 WeakPolarHBondContact O-CB 3.24Å; Q96-T99 PolarHBondContact O-N 3.11Å; Q96-V100 PolarHBondContact O-N 2.96Å; Q96-V100 VanDerWaalsContact O-N 3.16Å
97	P	88.8	Confident	86.2	Confident	61 Å²	61	50 Å²	50	40%	0.396	30%	0.296	S	S	.	.	H	α-helix	trans	-56.4	-36.3	179.5	-27	34.8	0	0	0	113.7	T99 V100 I101 Y130 L134	P97-T99 PolarHBondContact O-N 3.17Å; P97-V100 PolarHBondContact O-N 2.92Å; P97-I101 VanDerWaalsContact O-CG1 3.27Å; P97-I101 WeakPolarHBondContact O-CG1 3.41Å; P97-I101 PolarHBondContact O-N 2.83Å; P97-Y130 WeakPolarHBondContact CA-OH 3.3Å; P97-Y130 HydrophobicContact CB-CE1 4.47Å; P97-L134 HydrophobicContact CB-CD1 4.12Å; P97-L134 HydrophobicContact CB-CD2 4.25Å; P97-L134 HydrophobicContact CG-CD2 4.34Å
98	S	88.3	Confident	84.4	Confident	52 Å²	52	53.4 Å²	53.4	36%	0.364	32%	0.322	S	S	.	.	H	α-helix	trans	-58.2	-46.3	174.6	49.2	0	0	0	0	111.7	Q96 V100 I101 H102	Q96-S98 PolarHBondContact O-N 3.19Å; S98-V100 VanDerWaalsContact C-N 3.34Å; S98-V100 PolarHBondContact O-N 3.46Å; S98-I101 PolarHBondContact O-N 2.98Å; S98-H102 WeakPolarHBondContact O-CB 3.3Å; S98-H102 PolarHBondContact O-CD2 3.36Å; S98-H102 PolarHBondContact O-N 3.3Å
99	T	88.7	Confident	82.6	Confident	28 Å²	28	58.5 Å²	58.5	17%	0.172	35%	0.353	C	S	.	.	H	α-helix	trans	-62.5	-42.5	178.1	-48.1	0	0	0	0	111.3	L58 Q96 P97 H102 L103	L58-T99 HydrophobicContact CD1-CG2 3.71Å; Q96-T99 WeakPolarHBondContact O-CB 3.24Å; Q96-T99 PolarHBondContact O-N 3.11Å; P97-T99 PolarHBondContact O-N 3.17Å; T99-H102 PolarHBondContact O-N 3.47Å; T99-L103 HydrophobicContact CG2-CD1 3.95Å; T99-L103 HydrophobicContact CG2-CG 4.49Å; T99-L103 VanDerWaalsContact O-CB 3.25Å; T99-L103 WeakPolarHBondContact O-CB 3.38Å; T99-L103 VanDerWaalsContact O-CG 3.31Å; T99-L103 WeakPolarHBondContact O-CG 3.31Å; T99-L103 PolarHBondContact O-N 3.01Å
100	V	89.5	Confident	80.8	Confident	0 Å²	0	64 Å²	64	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-63.8	-47	178.5	177.8	0	0	0	0	110.8	I74 L86 L95 Q96 P97 S98 L103 L104 Y130	I74-V100 HydrophobicContact CG2-CG1 3.85Å; L86-V100 HydrophobicContact CD1-CB 4.37Å; L86-V100 HydrophobicContact CD1-CG1 3.69Å; L86-V100 HydrophobicContact CD1-CG2 3.79Å; L95-V100 HydrophobicContact CB-CG2 3.78Å; L95-V100 HydrophobicContact CD1-CG2 4.21Å; Q96-V100 PolarHBondContact O-N 2.96Å; Q96-V100 VanDerWaalsContact O-N 3.16Å; P97-V100 PolarHBondContact O-N 2.92Å; S98-V100 VanDerWaalsContact C-N 3.34Å; S98-V100 PolarHBondContact O-N 3.46Å; V100-L103 PolarHBondContact O-N 3.49Å; V100-L104 HydrophobicContact CG1-CD1 4.06Å; V100-L104 WeakPolarHBondContact O-CG 3.25Å; V100-L104 PolarHBondContact O-N 2.93Å; V100-Y130 HydrophobicContact CB-CD1 4.34Å; V100-Y130 HydrophobicContact CB-CE1 3.65Å; V100-Y130 HydrophobicContact CG1-CD1 3.63Å; V100-Y130 HydrophobicContact CG1-CD2 4.41Å; V100-Y130 HydrophobicContact CG1-CE1 3.4Å; V100-Y130 HydrophobicContact CG1-CE2 4.25Å; V100-Y130 HydrophobicContact CG1-CG 4.14Å; V100-Y130 HydrophobicContact CG2-CE1 4.46Å
101	I	90.3	Very high	78.6	Confident	52 Å²	52	70 Å²	70	27%	0.267	39%	0.387	S	S	.	.	H	α-helix	trans	-61.9	-45.7	177	-67.3	165.4	0	0	0	110.3	P97 S98 L103 L104 S105 L127 Y130 L134	P97-I101 VanDerWaalsContact O-CG1 3.27Å; P97-I101 WeakPolarHBondContact O-CG1 3.41Å; P97-I101 PolarHBondContact O-N 2.83Å; S98-I101 PolarHBondContact O-N 2.98Å; I101-L103 VanDerWaalsContact C-N 3.33Å; I101-L103 PolarHBondContact O-N 3.37Å; I101-L104 PolarHBondContact O-N 3.43Å; I101-S105 WeakPolarHBondContact O-CB 3.4Å; I101-S105 PolarHBondContact O-N 3.19Å; I101-S105 PolarHBondContact O-OG 3.15Å; I101-L127 HydrophobicContact CG2-CD1 4.37Å; I101-Y130 HydrophobicContact CG1-CD1 4.24Å; I101-Y130 HydrophobicContact CG1-CE1 4.17Å; I101-L134 HydrophobicContact CD1-CD1 4Å
102	H	87.1	Confident	76.7	Confident	131 Å²	131	73.4 Å²	73.4	61%	0.606	40%	0.399	S	S	*	.	H	α-helix	trans	-61.7	-41.6	176.6	-79.2	-58.1	0	0	0	112.4	S98 T99 L104 S105 A106	S98-H102 WeakPolarHBondContact O-CB 3.3Å; S98-H102 PolarHBondContact O-CD2 3.36Å; S98-H102 PolarHBondContact O-N 3.3Å; T99-H102 PolarHBondContact O-N 3.47Å; H102-L104 VanDerWaalsContact C-N 3.34Å; H102-L104 PolarHBondContact O-N 3.37Å; H102-S105 WeakPolarHBondContact CA-OG 3.48Å; H102-S105 PolarHBondContact O-OG 3.29Å; H102-A106 WeakPolarHBondContact O-CB 3.47Å; H102-A106 PolarHBondContact O-N 3.17Å
103	L	86.7	Confident	74.8	Confident	12 Å²	12	72.6 Å²	72.6	6%	0.063	39%	0.393	C	S	.	.	H	α-helix	trans	-65.5	-34.1	178.3	-85.1	171.8	0	0	0	113.1	L56 W70 R71 I74 T99 V100 I101	L56-L103 HydrophobicContact CD2-CD1 4.13Å; L56-L103 HydrophobicContact CD2-CD2 3.19Å; L56-L103 HydrophobicContact CD2-CG 3.93Å; W70-L103 HydrophobicContact CB-CD1 4.19Å; W70-L103 HydrophobicContact CB-CD2 3.91Å; W70-L103 HydrophobicContact CG-CD1 4.44Å; W70-L103 HydrophobicContact CG-CD2 4.48Å; R71-L103 WeakPolarHBondContact CG-O 3.42Å; R71-L103 VanDerWaalsContact CZ-O 3.3Å; R71-L103 PolarHBondContact NH1-O 2.83Å; I74-L103 HydrophobicContact CD1-CB 3.93Å; I74-L103 HydrophobicContact CD1-CD1 3.38Å; I74-L103 HydrophobicContact CD1-CG 4.27Å; T99-L103 HydrophobicContact CG2-CD1 3.95Å; T99-L103 HydrophobicContact CG2-CG 4.49Å; T99-L103 VanDerWaalsContact O-CB 3.25Å; T99-L103 WeakPolarHBondContact O-CB 3.38Å; T99-L103 VanDerWaalsContact O-CG 3.31Å; T99-L103 WeakPolarHBondContact O-CG 3.31Å; T99-L103 PolarHBondContact O-N 3.01Å; V100-L103 PolarHBondContact O-N 3.49Å; I101-L103 VanDerWaalsContact C-N 3.33Å; I101-L103 PolarHBondContact O-N 3.37Å
104	L	87.7	Confident	72.7	Confident	4 Å²	4	74.9 Å²	74.9	2%	0.021	42%	0.418	C	S	.	.	H	α-helix	trans	-86.7	-38.8	178.1	-67.4	173.2	0	0	0	112	I74 I78 V100 I101 H102 A106 Y123 L127	I74-L104 HydrophobicContact CG2-CD1 3.94Å; I74-L104 HydrophobicContact CG2-CD2 4.06Å; I74-L104 HydrophobicContact CG2-CG 4.08Å; I78-L104 HydrophobicContact CD1-CD1 3.68Å; V100-L104 HydrophobicContact CG1-CD1 4.06Å; V100-L104 WeakPolarHBondContact O-CG 3.25Å; V100-L104 PolarHBondContact O-N 2.93Å; I101-L104 PolarHBondContact O-N 3.43Å; H102-L104 VanDerWaalsContact C-N 3.34Å; H102-L104 PolarHBondContact O-N 3.37Å; L104-A106 PolarHBondContact O-N 2.91Å; L104-Y123 HydrophobicContact CD2-CD1 4.43Å; L104-L127 HydrophobicContact CB-CB 4.14Å; L104-L127 HydrophobicContact CB-CD1 3.55Å; L104-L127 HydrophobicContact CB-CG 4.49Å; L104-L127 HydrophobicContact CD1-CB 4.39Å; L104-L127 HydrophobicContact CD1-CD1 4.45Å
105	S	85.2	Confident	71.1	Confident	46 Å²	46	76.9 Å²	76.9	32%	0.322	42%	0.424	S	S	.	.	H	α-helix	trans	-73.8	-24.1	-179.3	60.8	0	0	0	0	114.3	I101 H102 V107 S108	I101-S105 WeakPolarHBondContact O-CB 3.4Å; I101-S105 PolarHBondContact O-N 3.19Å; I101-S105 PolarHBondContact O-OG 3.15Å; H102-S105 WeakPolarHBondContact CA-OG 3.48Å; H102-S105 PolarHBondContact O-OG 3.29Å; S105-V107 PolarHBondContact O-N 3.41Å; S105-S108 PolarHBondContact O-N 3.22Å
106	A	72.8	Confident	69.3	Low	38 Å²	38	78.8 Å²	78.8	31%	0.314	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-65.3	2.9	-176.4	0	0	0	0	0	114.6	R71 H102 L104 S108	R71-A106 VanDerWaalsContact NH1-C 3.33Å; R71-A106 VanDerWaalsContact NH2-C 3.27Å; R71-A106 PolarHBondContact NH2-O 2.85Å; R71-A106 VanDerWaalsContact NH2-O 3.14Å; H102-A106 WeakPolarHBondContact O-CB 3.47Å; H102-A106 PolarHBondContact O-N 3.17Å; L104-A106 PolarHBondContact O-N 2.91Å; A106-S108 VanDerWaalsContact C-N 3.25Å
107	V	59.8	Low	68.1	Low	30 Å²	30	78.5 Å²	78.5	18%	0.182	45%	0.446	C	S	.	.	G	3₁₀ helix	trans	-68.6	-28.3	173.9	-177.8	0	0	0	0	110.5	S105 T109 D120 Y123	S105-V107 PolarHBondContact O-N 3.41Å; V107-T109 VanDerWaalsContact C-N 3.34Å; V107-T109 PolarHBondContact O-N 3.42Å; V107-D120 HydrophobicContact CG1-CB 4.34Å; V107-D120 VanDerWaalsContact CG1-OD1 3.32Å; V107-D120 WeakPolarHBondContact CG1-OD1 3.37Å; V107-Y123 HydrophobicContact CG2-CD2 3.75Å; V107-Y123 HydrophobicContact CG2-CG 4.26Å
108	S	53.4	Low	67	Low	111 Å²	111	80.8 Å²	80.8	78%	0.776	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-81.1	-4.3	-170.4	-47.9	0	0	0	0	115.6	S105 A106	S105-S108 PolarHBondContact O-N 3.22Å; A106-S108 VanDerWaalsContact C-N 3.25Å
109	T	52.1	Low	65.9	Low	111 Å²	111	81.9 Å²	81.9	68%	0.681	46%	0.457	S	S	*	.	S	Bend	trans	-129.1	-3.3	-164.6	58.7	0	0	0	0	117	V107	V107-T109 VanDerWaalsContact C-N 3.34Å; V107-T109 PolarHBondContact O-N 3.42Å
110	R	51.4	Low	64.9	Low	160 Å²	160	84 Å²	84	60%	0.604	47%	0.467	S	S	*	.	S	Bend	trans	-128.4	135.1	175.4	-64.9	-171.7	-163.3	-177.2	4.2	109.7	D54 E112	D54-R110 IonicContact OD2-NH1 2.93Å; D54-R110 PolarHBondContact OD2-NH1 2.91Å; R110-E112 PolarHBondContact O-N 2.92Å
111	H	43.1	Very low	64.4	Low	193 Å²	193	88.3 Å²	88.3	89%	0.894	49%	0.49	S	S	*	.			trans	-51.2	75.4	173.5	-77.1	-98.7	0	0	0	111.9	S113	H111-S113 PolarHBondContact O-N 3.16Å; H111-S113 VanDerWaalsContact O-N 3.13Å
112	E	49.9	Very low	64.1	Low	108 Å²	108	89.1 Å²	89.1	51%	0.505	49%	0.493	S	S	.	.			trans	-81.7	78.1	155	-84.9	-176.6	157.3	0	0	106.5	R110 S114	R110-E112 PolarHBondContact O-N 2.92Å; E112-S114 PolarHBondContact O-N 2.94Å
113	S	44.3	Very low	64.1	Low	97 Å²	97	83.4 Å²	83.4	68%	0.678	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	122.4	166	44.2	0	0	0	0	109.8	H111	H111-S113 PolarHBondContact O-N 3.16Å; H111-S113 VanDerWaalsContact O-N 3.13Å
114	S	44.8	Very low	64.1	Low	122 Å²	122	87.3 Å²	87.3	85%	0.853	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	10.7	152	69	0	0	0	0	121.4	E112	E112-S114 PolarHBondContact O-N 2.94Å
115	Q	53.4	Low	64.1	Low	140 Å²	140	96.1 Å²	96.1	65%	0.654	52%	0.52	S	S	*	.	S	Bend	trans	-106.8	75.9	178	-150.1	152	65.1	0	0	115.3
116	S	50.4	Low	64.3	Low	53 Å²	53	94.1 Å²	94.1	37%	0.371	51%	0.506	S	S	.	.			trans	51.9	122.4	163.5	80.8	0	0	0	0	117.9	V118 K119	S116-V118 PolarHBondContact O-N 3.12Å; S116-K119 PolarHBondContact O-N 3.27Å
117	P	61.9	Low	65.1	Low	100 Å²	100	93.3 Å²	93.3	65%	0.649	50%	0.496	S	S	*	.	H	α-helix	trans	-62	-7	177.1	27.8	-36.2	0	0	0	114.1	N121	P117-N121 PolarHBondContact O-ND2 3Å; P117-N121 VanDerWaalsContact O-ND2 3.14Å
118	V	66.4	Low	66.5	Low	108 Å²	108	94.8 Å²	94.8	66%	0.655	51%	0.508	S	S	*	.	H	α-helix	trans	-73.2	-38	179.6	-176.2	0	0	0	0	111.7	S116	S116-V118 PolarHBondContact O-N 3.12Å
119	K	64.2	Low	68.2	Low	75 Å²	75	93.3 Å²	93.3	33%	0.326	49%	0.485	S	S	.	.	H	α-helix	trans	-76.2	-35.1	-177.2	-73.9	-172.7	178.9	179.8	0	112.7	S116 N121 Q122 Y123	S116-K119 PolarHBondContact O-N 3.27Å; K119-N121 VanDerWaalsContact C-N 3.28Å; K119-N121 PolarHBondContact O-N 2.93Å; K119-Q122 WeakPolarHBondContact O-CB 3.41Å; K119-Q122 PolarHBondContact O-N 3.41Å; K119-Y123 HydrophobicContact CB-CE2 4.16Å; K119-Y123 VanDerWaalsContact O-CD2 3.25Å; K119-Y123 WeakPolarHBondContact O-CD2 3.27Å; K119-Y123 PolarHBondContact O-N 3.01Å
120	D	67.8	Low	70	Confident	72 Å²	72	88.5 Å²	88.5	39%	0.385	46%	0.455	S	S	.	.	H	α-helix	trans	-59.2	-43.2	177.6	-60.6	-24.4	0	0	0	111	V107 Q122 Y123 D124	V107-D120 HydrophobicContact CG1-CB 4.34Å; V107-D120 VanDerWaalsContact CG1-OD1 3.32Å; V107-D120 WeakPolarHBondContact CG1-OD1 3.37Å; D120-Q122 VanDerWaalsContact C-N 3.26Å; D120-Q122 PolarHBondContact O-N 2.91Å; D120-Y123 PolarHBondContact O-N 3.47Å; D120-D124 PolarHBondContact O-N 3.23Å; D120-D124 VanDerWaalsContact O-N 3.17Å
121	N	79.1	Confident	71.9	Confident	91 Å²	91	85 Å²	85	49%	0.487	45%	0.445	S	S	.	.	H	α-helix	trans	-63.8	-28.5	174.9	-69.7	-29.9	0	0	0	113.1	P117 K119 R125	P117-N121 PolarHBondContact O-ND2 3Å; P117-N121 VanDerWaalsContact O-ND2 3.14Å; K119-N121 VanDerWaalsContact C-N 3.28Å; K119-N121 PolarHBondContact O-N 2.93Å; N121-R125 WeakPolarHBondContact O-CB 3.44Å; N121-R125 WeakPolarHBondContact O-CD 3.42Å; N121-R125 WeakPolarHBondContact O-CG 3.35Å; N121-R125 PolarHBondContact O-N 3.41Å; N121-R125 VanDerWaalsContact O-N 3.15Å
122	Q	85.4	Confident	73.9	Confident	70 Å²	70	80.6 Å²	80.6	33%	0.327	43%	0.425	S	S	.	.	H	α-helix	trans	-72.7	-44.4	179.2	-174.4	178.7	14.1	0	0	111.5	E79 K119 D120 D124 R125 S126	E79-Q122 PolarHBondContact OE1-NE2 3.16Å; K119-Q122 WeakPolarHBondContact O-CB 3.41Å; K119-Q122 PolarHBondContact O-N 3.41Å; D120-Q122 VanDerWaalsContact C-N 3.26Å; D120-Q122 PolarHBondContact O-N 2.91Å; Q122-D124 VanDerWaalsContact C-N 3.34Å; Q122-R125 PolarHBondContact O-N 3.47Å; Q122-S126 WeakPolarHBondContact O-CB 3.41Å; Q122-S126 PolarHBondContact O-N 3.27Å; Q122-S126 PolarHBondContact O-OG 3.47Å
123	Y	85.8	Confident	75.7	Confident	11 Å²	11	76.2 Å²	76.2	4%	0.043	41%	0.405	C	S	.	.	H	α-helix	trans	-67.2	-37.6	178.6	-57.3	-50.4	0	0	0	111.7	R71 N72 L104 V107 K119 D120 S126 L127	R71-Y123 HydrophobicContact CB-CD1 4.12Å; R71-Y123 HydrophobicContact CB-CE1 3.69Å; N72-Y123 PolarHBondContact OD1-OH 3.02Å; L104-Y123 HydrophobicContact CD2-CD1 4.43Å; V107-Y123 HydrophobicContact CG2-CD2 3.75Å; V107-Y123 HydrophobicContact CG2-CG 4.26Å; K119-Y123 HydrophobicContact CB-CE2 4.16Å; K119-Y123 VanDerWaalsContact O-CD2 3.25Å; K119-Y123 WeakPolarHBondContact O-CD2 3.27Å; K119-Y123 PolarHBondContact O-N 3.01Å; D120-Y123 PolarHBondContact O-N 3.47Å; Y123-S126 WeakPolarHBondContact O-CB 3.46Å; Y123-S126 PolarHBondContact O-N 2.85Å; Y123-L127 WeakPolarHBondContact O-CB 3.07Å; Y123-L127 PolarHBondContact O-N 3.44Å
124	D	87.1	Confident	77.8	Confident	94 Å²	94	73.5 Å²	73.5	50%	0.503	38%	0.382	S	S	.	.	H	α-helix	trans	-66.6	-41.3	176.9	-167.6	31.7	0	0	0	112.5	D120 Q122 S126 L127 S128	D120-D124 PolarHBondContact O-N 3.23Å; D120-D124 VanDerWaalsContact O-N 3.17Å; Q122-D124 VanDerWaalsContact C-N 3.34Å; D124-S126 VanDerWaalsContact C-N 3.33Å; D124-S126 PolarHBondContact O-N 2.92Å; D124-L127 WeakPolarHBondContact O-CB 3.43Å; D124-L127 PolarHBondContact O-N 3.49Å; D124-S128 WeakPolarHBondContact O-CB 3.36Å; D124-S128 PolarHBondContact O-N 2.82Å; D124-S128 PolarHBondContact O-OG 2.99Å
125	R	88	Confident	79.8	Confident	189 Å²	189	72 Å²	72	71%	0.713	36%	0.364	S	S	*	.	H	α-helix	trans	-61.5	-41.3	170.7	-73.9	170.8	-174.7	-173.4	1.2	112.2	N121 Q122 R129	N121-R125 WeakPolarHBondContact O-CB 3.44Å; N121-R125 WeakPolarHBondContact O-CD 3.42Å; N121-R125 WeakPolarHBondContact O-CG 3.35Å; N121-R125 PolarHBondContact O-N 3.41Å; N121-R125 VanDerWaalsContact O-N 3.15Å; Q122-R125 PolarHBondContact O-N 3.47Å; R125-R129 WeakPolarHBondContact O-CB 3.37Å; R125-R129 PolarHBondContact O-N 3.41Å
126	S	88.5	Confident	81.2	Confident	4 Å²	4	67.8 Å²	67.8	3%	0.028	35%	0.345	C	S	.	.	H	α-helix	trans	-65.5	-41.5	177.6	-58	0	0	0	0	111.3	S75 Q122 Y123 D124 Y130	S75-S126 PolarHBondContact OG-OG 3.16Å; Q122-S126 WeakPolarHBondContact O-CB 3.41Å; Q122-S126 PolarHBondContact O-N 3.27Å; Q122-S126 PolarHBondContact O-OG 3.47Å; Y123-S126 WeakPolarHBondContact O-CB 3.46Å; Y123-S126 PolarHBondContact O-N 2.85Å; D124-S126 VanDerWaalsContact C-N 3.33Å; D124-S126 PolarHBondContact O-N 2.92Å; S126-Y130 WeakPolarHBondContact O-CB 3.37Å; S126-Y130 PolarHBondContact O-N 3.29Å
127	L	90.6	Very high	82.8	Confident	20 Å²	20	66.6 Å²	66.6	11%	0.105	33%	0.333	C	S	.	.	H	α-helix	trans	-60.6	-53.3	174.7	-176.1	96.5	0	0	0	110.6	I101 L104 Y123 D124 R129 Y130 E131	I101-L127 HydrophobicContact CG2-CD1 4.37Å; L104-L127 HydrophobicContact CB-CB 4.14Å; L104-L127 HydrophobicContact CB-CD1 3.55Å; L104-L127 HydrophobicContact CB-CG 4.49Å; L104-L127 HydrophobicContact CD1-CB 4.39Å; L104-L127 HydrophobicContact CD1-CD1 4.45Å; Y123-L127 WeakPolarHBondContact O-CB 3.07Å; Y123-L127 PolarHBondContact O-N 3.44Å; D124-L127 WeakPolarHBondContact O-CB 3.43Å; D124-L127 PolarHBondContact O-N 3.49Å; L127-R129 VanDerWaalsContact C-N 3.28Å; L127-R129 PolarHBondContact O-N 2.91Å; L127-Y130 CarbonylContact O-C 3.59Å; L127-Y130 WeakPolarHBondContact O-CA 3.35Å; L127-Y130 WeakPolarHBondContact O-CB 3.33Å; L127-Y130 PolarHBondContact O-N 2.97Å; L127-E131 HydrophobicContact CG-CG 4.38Å; L127-E131 WeakPolarHBondContact O-CG 3.41Å; L127-E131 PolarHBondContact O-N 2.91Å
128	S	89.6	Confident	84	Confident	62 Å²	62	64.3 Å²	64.3	43%	0.434	32%	0.323	S	S	.	.	H	α-helix	trans	-55	-44.4	-179.8	-62.8	0	0	0	0	111.7	D124 E131 E132	D124-S128 WeakPolarHBondContact O-CB 3.36Å; D124-S128 PolarHBondContact O-N 2.82Å; D124-S128 PolarHBondContact O-OG 2.99Å; S128-E131 PolarHBondContact O-N 2.89Å; S128-E132 WeakPolarHBondContact O-CB 3.29Å; S128-E132 PolarHBondContact O-N 3.3Å
129	R	87.4	Confident	84.9	Confident	80 Å²	80	60.1 Å²	60.1	30%	0.302	30%	0.296	S	S	.	.	H	α-helix	trans	-66.5	-36.9	177.3	-171.5	174.2	-179.8	156.2	-4.5	112.7	I78 F81 L83 R125 L127 F133	I78-R129 HydrophobicContact CG2-CB 4.34Å; I78-R129 HydrophobicContact CG2-CG 4.34Å; F81-R129 VanDerWaalsContact CD1-NH2 3.31Å; L83-R129 HydrophobicContact CD2-CG 4.42Å; R125-R129 WeakPolarHBondContact O-CB 3.37Å; R125-R129 PolarHBondContact O-N 3.41Å; L127-R129 VanDerWaalsContact C-N 3.28Å; L127-R129 PolarHBondContact O-N 2.91Å; R129-F133 WeakPolarHBondContact O-CB 3.26Å; R129-F133 PolarHBondContact O-N 3.45Å; R129-F133 VanDerWaalsContact O-N 3.12Å
130	Y	90.5	Very high	85.7	Confident	9 Å²	9	57.4 Å²	57.4	4%	0.035	29%	0.287	C	S	.	.	H	α-helix	trans	-69.5	-41.5	176	-174.1	-114.4	0	0	0	111.8	I78 L83 L86 P97 V100 I101 S126 L127 F133 L134	I78-Y130 HydrophobicContact CD1-CG 4.41Å; L83-Y130 HydrophobicContact CD2-CD2 4.04Å; L86-Y130 HydrophobicContact CD1-CD2 3.89Å; L86-Y130 HydrophobicContact CD1-CE2 3.43Å; L86-Y130 VanDerWaalsContact CD1-CE2 3.43Å; L86-Y130 HydrophobicContact CG-CE2 4.39Å; P97-Y130 WeakPolarHBondContact CA-OH 3.3Å; P97-Y130 HydrophobicContact CB-CE1 4.47Å; V100-Y130 HydrophobicContact CB-CD1 4.34Å; V100-Y130 HydrophobicContact CB-CE1 3.65Å; V100-Y130 HydrophobicContact CG1-CD1 3.63Å; V100-Y130 HydrophobicContact CG1-CD2 4.41Å; V100-Y130 HydrophobicContact CG1-CE1 3.4Å; V100-Y130 HydrophobicContact CG1-CE2 4.25Å; V100-Y130 HydrophobicContact CG1-CG 4.14Å; V100-Y130 HydrophobicContact CG2-CE1 4.46Å; I101-Y130 HydrophobicContact CG1-CD1 4.24Å; I101-Y130 HydrophobicContact CG1-CE1 4.17Å; S126-Y130 WeakPolarHBondContact O-CB 3.37Å; S126-Y130 PolarHBondContact O-N 3.29Å; L127-Y130 CarbonylContact O-C 3.59Å; L127-Y130 WeakPolarHBondContact O-CA 3.35Å; L127-Y130 WeakPolarHBondContact O-CB 3.33Å; L127-Y130 PolarHBondContact O-N 2.97Å; Y130-F133 HydrophobicContact CE2-CD1 4.48Å; Y130-F133 WeakPolarHBondContact O-CB 3.26Å; Y130-F133 PolarHBondContact O-N 3.16Å; Y130-L134 HydrophobicContact CD1-CD1 3.9Å; Y130-L134 HydrophobicContact CD1-CG 4.36Å; Y130-L134 HydrophobicContact CE1-CD1 3.52Å; Y130-L134 HydrophobicContact CE1-CD2 4.42Å; Y130-L134 HydrophobicContact CE1-CG 4.06Å; Y130-L134 HydrophobicContact CE2-CD2 4.46Å; Y130-L134 HydrophobicContact CE2-CG 4.48Å; Y130-L134 WeakPolarHBondContact O-CG 3.13Å; Y130-L134 PolarHBondContact O-N 3.07Å
131	E	90.6	Very high	86.4	Confident	87 Å²	87	61 Å²	61	41%	0.407	30%	0.295	S	S	.	.	H	α-helix	trans	-64.3	-43.1	175.6	-71.4	-176.8	160.2	0	0	111.9	L127 S128 F133 L134 L135	L127-E131 HydrophobicContact CG-CG 4.38Å; L127-E131 WeakPolarHBondContact O-CG 3.41Å; L127-E131 PolarHBondContact O-N 2.91Å; S128-E131 PolarHBondContact O-N 2.89Å; E131-F133 VanDerWaalsContact C-N 3.3Å; E131-F133 PolarHBondContact O-N 2.87Å; E131-L134 PolarHBondContact O-N 3.42Å; E131-L135 WeakPolarHBondContact O-CB 3.4Å; E131-L135 PolarHBondContact O-N 2.98Å
132	E	85.9	Confident	86.6	Confident	101 Å²	101	61.5 Å²	61.5	47%	0.472	29%	0.294	S	S	.	.	H	α-helix	trans	-58.9	-43.2	173.7	-172.1	-175.4	173.2	0	0	111.1	S128 L135 Q136	S128-E132 WeakPolarHBondContact O-CB 3.29Å; S128-E132 PolarHBondContact O-N 3.3Å; E132-L135 PolarHBondContact O-N 3.47Å; E132-Q136 WeakPolarHBondContact O-CB 3.4Å; E132-Q136 PolarHBondContact O-N 2.96Å
133	F	86.8	Confident	86.4	Confident	16 Å²	16	62.5 Å²	62.5	7%	0.07	31%	0.307	C	S	.	.	H	α-helix	trans	-61.5	-46.7	175.4	169.7	-97.8	0	0	0	112.3	L83 A84 R129 Y130 E131 L135 Q136 Q137 I367	L83-F133 HydrophobicContact CB-CB 4.27Å; L83-F133 HydrophobicContact CB-CD1 3.88Å; L83-F133 HydrophobicContact CB-CD2 3.79Å; L83-F133 HydrophobicContact CB-CE1 4.19Å; L83-F133 HydrophobicContact CB-CE2 4.09Å; L83-F133 HydrophobicContact CB-CG 3.68Å; L83-F133 HydrophobicContact CB-CZ 4.3Å; L83-F133 HydrophobicContact CD1-CB 4.15Å; L83-F133 HydrophobicContact CD1-CD2 4.21Å; L83-F133 HydrophobicContact CD1-CG 4.27Å; L83-F133 HydrophobicContact CD2-CB 4.13Å; L83-F133 HydrophobicContact CD2-CG 4.41Å; L83-F133 HydrophobicContact CG-CB 4.43Å; L83-F133 HydrophobicContact CG-CG 4.35Å; L83-F133 WeakPolarHBondContact O-CE1 3.46Å; A84-F133 VanDerWaalsContact CA-CZ 3.47Å; A84-F133 HydrophobicContact CB-CE1 4.39Å; A84-F133 HydrophobicContact CB-CE2 4.27Å; A84-F133 HydrophobicContact CB-CZ 3.61Å; R129-F133 WeakPolarHBondContact O-CB 3.26Å; R129-F133 PolarHBondContact O-N 3.45Å; R129-F133 VanDerWaalsContact O-N 3.12Å; Y130-F133 HydrophobicContact CE2-CD1 4.48Å; Y130-F133 WeakPolarHBondContact O-CB 3.26Å; Y130-F133 PolarHBondContact O-N 3.16Å; E131-F133 VanDerWaalsContact C-N 3.3Å; E131-F133 PolarHBondContact O-N 2.87Å; F133-L135 VanDerWaalsContact C-N 3.32Å; F133-L135 PolarHBondContact O-N 3.48Å; F133-Q136 PolarHBondContact O-N 3.45Å; F133-Q137 WeakPolarHBondContact O-CB 3.44Å; F133-Q137 PolarHBondContact O-N 3.12Å; F133-I367 HydrophobicContact CE2-CG1 4.45Å
134	L	88.4	Confident	86.3	Confident	39 Å²	39	64.9 Å²	64.9	20%	0.204	32%	0.319	C	S	.	.	H	α-helix	trans	-61.8	-40.9	177.3	-70.7	178.8	0	0	0	111.6	P97 I101 Y130 E131 Q137 A138	P97-L134 HydrophobicContact CB-CD1 4.12Å; P97-L134 HydrophobicContact CB-CD2 4.25Å; P97-L134 HydrophobicContact CG-CD2 4.34Å; I101-L134 HydrophobicContact CD1-CD1 4Å; Y130-L134 HydrophobicContact CD1-CD1 3.9Å; Y130-L134 HydrophobicContact CD1-CG 4.36Å; Y130-L134 HydrophobicContact CE1-CD1 3.52Å; Y130-L134 HydrophobicContact CE1-CD2 4.42Å; Y130-L134 HydrophobicContact CE1-CG 4.06Å; Y130-L134 HydrophobicContact CE2-CD2 4.46Å; Y130-L134 HydrophobicContact CE2-CG 4.48Å; Y130-L134 WeakPolarHBondContact O-CG 3.13Å; Y130-L134 PolarHBondContact O-N 3.07Å; E131-L134 PolarHBondContact O-N 3.42Å; L134-Q137 PolarHBondContact O-N 3.19Å; L134-A138 WeakPolarHBondContact O-CB 3.41Å; L134-A138 PolarHBondContact O-N 2.97Å
135	L	87.8	Confident	86.2	Confident	92 Å²	92	60.7 Å²	60.7	48%	0.482	30%	0.297	S	S	.	.	H	α-helix	trans	-63.9	-44.9	176	-179.7	61.5	0	0	0	111.1	E131 E132 F133 Q137 A138 M139 W147	E131-L135 WeakPolarHBondContact O-CB 3.4Å; E131-L135 PolarHBondContact O-N 2.98Å; E132-L135 PolarHBondContact O-N 3.47Å; F133-L135 VanDerWaalsContact C-N 3.32Å; F133-L135 PolarHBondContact O-N 3.48Å; L135-Q137 VanDerWaalsContact C-N 3.31Å; L135-Q137 PolarHBondContact O-N 2.93Å; L135-A138 PolarHBondContact O-N 2.99Å; L135-M139 HydrophobicContact CD1-CG 4.16Å; L135-M139 HydrophobicContact CD1-SD 4.36Å; L135-M139 HydrophobicContact CG-SD 4.47Å; L135-M139 WeakPolarHBondContact O-CB 3.18Å; L135-M139 WeakPolarHBondContact O-CG 3.45Å; L135-M139 PolarHBondContact O-N 3.27Å; L135-W147 HydrophobicContact CD2-CH2 3.84Å; L135-W147 HydrophobicContact CG-CH2 3.91Å; L135-W147 HydrophobicContact CG-CZ2 4.16Å
136	Q	83.5	Confident	86.1	Confident	51 Å²	51	53.8 Å²	53.8	24%	0.238	27%	0.271	C	S	.	.	H	α-helix	trans	-61.1	-41.9	175.6	-170.8	178.5	-1.4	0	0	111.5	E132 F133 S140 W147 I367	E132-Q136 WeakPolarHBondContact O-CB 3.4Å; E132-Q136 PolarHBondContact O-N 2.96Å; F133-Q136 PolarHBondContact O-N 3.45Å; Q136-S140 VanDerWaalsContact O-CB 3.23Å; Q136-S140 WeakPolarHBondContact O-CB 3.46Å; Q136-S140 PolarHBondContact O-N 2.96Å; Q136-S140 PolarHBondContact O-OG 2.96Å; Q136-W147 HydrophobicContact CB-CZ2 4.34Å; Q136-I367 HydrophobicContact CG-CG2 4.16Å
137	Q	83.5	Confident	85.9	Confident	28 Å²	28	56.8 Å²	56.8	13%	0.131	28%	0.281	C	S	.	.	H	α-helix	trans	-61.8	-46.5	175.2	178.1	173.3	-11.3	0	0	111.2	F133 L134 L135 S140 R141 I367 N369	F133-Q137 WeakPolarHBondContact O-CB 3.44Å; F133-Q137 PolarHBondContact O-N 3.12Å; L134-Q137 PolarHBondContact O-N 3.19Å; L135-Q137 VanDerWaalsContact C-N 3.31Å; L135-Q137 PolarHBondContact O-N 2.93Å; Q137-S140 PolarHBondContact O-N 3.15Å; Q137-S140 PolarHBondContact O-OG 3.08Å; Q137-R141 VanDerWaalsContact NE2-NH2 3.18Å; Q137-R141 PolarHBondContact O-N 3.38Å; Q137-I367 WeakPolarHBondContact CB-O 3.36Å; Q137-I367 VanDerWaalsContact CG-O 3.25Å; Q137-I367 WeakPolarHBondContact CG-O 3.48Å; Q137-N369 PolarHBondContact NE2-ND2 2.84Å
138	A	86.4	Confident	85.8	Confident	52 Å²	52	56.1 Å²	56.1	43%	0.43	28%	0.279	S	S	.	.	H	α-helix	trans	-61.8	-50.8	177.7	0	0	0	0	0	111.9	L134 L135 S140 R141 E142	L134-A138 WeakPolarHBondContact O-CB 3.41Å; L134-A138 PolarHBondContact O-N 2.97Å; L135-A138 PolarHBondContact O-N 2.99Å; A138-S140 VanDerWaalsContact C-N 3.27Å; A138-S140 PolarHBondContact O-N 2.95Å; A138-R141 WeakPolarHBondContact O-CB 3.42Å; A138-R141 PolarHBondContact O-N 3.41Å; A138-R141 VanDerWaalsContact O-N 3.11Å; A138-E142 PolarHBondContact O-N 3.2Å
139	M	86.4	Confident	85.5	Confident	19 Å²	19	56.7 Å²	56.7	9%	0.094	28%	0.28	C	S	.	.	H	α-helix	trans	-65	-28.7	178.8	-70.3	-163.2	68.9	0	0	113.1	L135 R141 E142 A145 W147	L135-M139 HydrophobicContact CD1-CG 4.16Å; L135-M139 HydrophobicContact CD1-SD 4.36Å; L135-M139 HydrophobicContact CG-SD 4.47Å; L135-M139 WeakPolarHBondContact O-CB 3.18Å; L135-M139 WeakPolarHBondContact O-CG 3.45Å; L135-M139 PolarHBondContact O-N 3.27Å; M139-R141 PolarHBondContact O-N 3.45Å; M139-E142 PolarHBondContact O-N 2.88Å; M139-A145 HydrophobicContact CB-CB 4.14Å; M139-A145 HydrophobicContact CE-CB 3.75Å; M139-A145 HydrophobicContact CG-CB 4.5Å; M139-A145 WeakPolarHBondContact O-CB 3.31Å; M139-W147 HydrophobicContact CB-CZ2 3.93Å; M139-W147 HydrophobicContact CE-CZ2 4.45Å; M139-W147 HydrophobicContact CG-CZ2 3.86Å; M139-W147 HydrophobicContact SD-CD2 4.17Å; M139-W147 VanDerWaalsContact SD-CE2 3.51Å; M139-W147 HydrophobicContact SD-CE3 4.45Å; M139-W147 HydrophobicContact SD-CH2 3.56Å; M139-W147 VanDerWaalsContact SD-CH2 3.56Å; M139-W147 HydrophobicContact SD-CZ2 3.18Å; M139-W147 WeakPolarHBondContact SD-CZ2 3.33Å; M139-W147 HydrophobicContact SD-CZ3 4.17Å
140	S	81	Confident	85.1	Confident	19 Å²	19	59.2 Å²	59.2	13%	0.133	29%	0.29	C	S	.	.	H	α-helix	trans	-71.9	-18.7	176.7	74.8	0	0	0	0	113.9	Q136 Q137 A138 N347 C368	Q136-S140 VanDerWaalsContact O-CB 3.23Å; Q136-S140 WeakPolarHBondContact O-CB 3.46Å; Q136-S140 PolarHBondContact O-N 2.96Å; Q136-S140 PolarHBondContact O-OG 2.96Å; Q137-S140 PolarHBondContact O-N 3.15Å; Q137-S140 PolarHBondContact O-OG 3.08Å; A138-S140 VanDerWaalsContact C-N 3.27Å; A138-S140 PolarHBondContact O-N 2.95Å; S140-N347 PolarHBondContact O-ND2 3.12Å; S140-C368 WeakPolarHBondContact OG-CA 3.46Å; S140-C368 WeakPolarHBondContact OG-CB 3.23Å
141	R	81.4	Confident	84.6	Confident	146 Å²	146	60.2 Å²	60.2	55%	0.551	30%	0.303	S	S	*	.	H	α-helix	trans	-83.7	-30	175.6	-69.9	174.7	174.1	-179.3	-2.9	111.8	Q137 A138 M139 P143	Q137-R141 VanDerWaalsContact NE2-NH2 3.18Å; Q137-R141 PolarHBondContact O-N 3.38Å; A138-R141 WeakPolarHBondContact O-CB 3.42Å; A138-R141 PolarHBondContact O-N 3.41Å; A138-R141 VanDerWaalsContact O-N 3.11Å; M139-R141 PolarHBondContact O-N 3.45Å; R141-P143 WeakPolarHBondContact O-CD 3.23Å
142	E	84.5	Confident	84.4	Confident	102 Å²	102	57.2 Å²	57.2	48%	0.477	29%	0.292	S	S	.	.			trans	-79	117.4	-179.4	-71.9	-56.3	149.2	0	0	111.7	A138 M139 E144 A145	A138-E142 PolarHBondContact O-N 3.2Å; M139-E142 PolarHBondContact O-N 2.88Å; E142-E144 PolarHBondContact O-N 3.45Å; E142-A145 HydrophobicContact CB-CB 3.62Å; E142-A145 PolarHBondContact O-N 3.28Å; E142-A145 VanDerWaalsContact O-N 3.16Å
143	P	80.1	Confident	84.2	Confident	92 Å²	92	54.8 Å²	54.8	60%	0.597	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-25.6	-179.2	27.1	-33.9	0	0	0	112.4	R141 R146	R141-P143 WeakPolarHBondContact O-CD 3.23Å; P143-R146 PolarHBondContact O-NH1 2.86Å; P143-R146 PolarHBondContact O-NH2 3.36Å
144	E	84.1	Confident	84.2	Confident	61 Å²	61	57.2 Å²	57.2	29%	0.285	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-8.9	179.8	-66	-166.1	149.9	0	0	113.4	E142 I157 A158 H159 S160 F181	E142-E144 PolarHBondContact O-N 3.45Å; E144-I157 HydrophobicContact CB-CG2 4.08Å; E144-I157 WeakPolarHBondContact O-CA 3.08Å; E144-A158 WeakPolarHBondContact CB-O 3.24Å; E144-A158 PolarHBondContact O-N 2.81Å; E144-H159 WeakPolarHBondContact OE2-CA 3.45Å; E144-H159 IonicContact OE2-CD2 2.92Å; E144-H159 PolarHBondContact OE2-CD2 2.82Å; E144-H159 IonicContact OE2-CG 3.5Å; E144-H159 IonicContact OE2-NE2 3.71Å; E144-S160 PolarHBondContact OE1-N 2.87Å; E144-F181 VanDerWaalsContact O-CE2 3.32Å; E144-F181 WeakPolarHBondContact O-CE2 3.43Å
145	A	85.8	Confident	84.1	Confident	5 Å²	5	56.7 Å²	56.7	4%	0.041	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	136.7	-178.9	0	0	0	0	0	112.4	M139 E142 L156 I157	M139-A145 HydrophobicContact CB-CB 4.14Å; M139-A145 HydrophobicContact CE-CB 3.75Å; M139-A145 HydrophobicContact CG-CB 4.5Å; M139-A145 WeakPolarHBondContact O-CB 3.31Å; E142-A145 HydrophobicContact CB-CB 3.62Å; E142-A145 PolarHBondContact O-N 3.28Å; E142-A145 VanDerWaalsContact O-N 3.16Å; A145-L156 CarbonylContact C-O 3.51Å; A145-L156 VanDerWaalsContact CA-O 3.31Å; A145-L156 WeakPolarHBondContact CA-O 3.5Å; A145-I157 HydrophobicContact CB-CG1 4.13Å
146	R	84.6	Confident	84	Confident	45 Å²	45	53.4 Å²	53.4	17%	0.17	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	138.5	175.3	-64.2	-66.1	176.8	-94.7	-12.1	111.3	P143 G155 L156 F181	P143-R146 PolarHBondContact O-NH1 2.86Å; P143-R146 PolarHBondContact O-NH2 3.36Å; R146-G155 WeakPolarHBondContact O-CA 3.32Å; R146-L156 HydrophobicContact CB-CD1 4.46Å; R146-L156 HydrophobicContact CB-CG 4.46Å; R146-L156 PolarHBondContact N-O 2.92Å; R146-L156 PolarHBondContact O-N 3.34Å; R146-F181 HydrophobicContact CB-CD2 4.47Å; R146-F181 HydrophobicContact CB-CE2 4.35Å; R146-F181 WeakPolarHBondContact CD-O 3.46Å; R146-F181 HydrophobicContact CG-CD2 3.58Å; R146-F181 HydrophobicContact CG-CE1 4.47Å; R146-F181 HydrophobicContact CG-CE2 3.35Å; R146-F181 HydrophobicContact CG-CG 4.18Å; R146-F181 HydrophobicContact CG-CZ 3.83Å; R146-F181 PolarHBondContact NE-O 2.82Å; R146-F181 VanDerWaalsContact NH2-CE1 3.3Å
147	W	85.4	Confident	84.2	Confident	66 Å²	66	55.5 Å²	55.5	25%	0.25	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	147.1	170.2	-68.6	99.7	0	0	0	110.5	L135 Q136 M139 G153	L135-W147 HydrophobicContact CD2-CH2 3.84Å; L135-W147 HydrophobicContact CG-CH2 3.91Å; L135-W147 HydrophobicContact CG-CZ2 4.16Å; Q136-W147 HydrophobicContact CB-CZ2 4.34Å; M139-W147 HydrophobicContact CB-CZ2 3.93Å; M139-W147 HydrophobicContact CE-CZ2 4.45Å; M139-W147 HydrophobicContact CG-CZ2 3.86Å; M139-W147 HydrophobicContact SD-CD2 4.17Å; M139-W147 VanDerWaalsContact SD-CE2 3.51Å; M139-W147 HydrophobicContact SD-CE3 4.45Å; M139-W147 HydrophobicContact SD-CH2 3.56Å; M139-W147 VanDerWaalsContact SD-CH2 3.56Å; M139-W147 HydrophobicContact SD-CZ2 3.18Å; M139-W147 WeakPolarHBondContact SD-CZ2 3.33Å; M139-W147 HydrophobicContact SD-CZ3 4.17Å; W147-G153 WeakPolarHBondContact CZ3-O 3.49Å
148	C	87.3	Confident	84.2	Confident	7 Å²	7	54.9 Å²	54.9	5%	0.047	30%	0.3	C	S	.	.			trans	-57.9	129.1	167.3	179.8	0	0	0	0	109.9	R150 G151 C152 Y154 C169 C174 F179	C148-R150 PolarHBondContact O-N 3.32Å; C148-R150 VanDerWaalsContact O-N 3.14Å; C148-G151 PolarHBondContact O-N 3.05Å; C148-C152 WeakPolarHBondContact CB-SG 3.4Å; C148-C152 VanDerWaalsContact SG-SG 3.6Å; C148-Y154 PolarHBondContact N-O 2.86Å; C148-C169 PolarHBondContact SG-SG 2.92Å; C148-C174 VanDerWaalsContact SG-SG 3.68Å; C148-F179 HydrophobicContact CB-CE1 4.4Å
149	P	83.6	Confident	83.8	Confident	73 Å²	73	58.1 Å²	58.1	47%	0.474	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-21.6	-177.5	24.4	-33.8	0	0	0	113.5	G151 F179	P149-G151 PolarHBondContact O-N 3.14Å; P149-F179 HydrophobicContact CG-CB 4.17Å; P149-F179 HydrophobicContact CG-CD1 4.19Å; P149-F179 HydrophobicContact CG-CD2 4.4Å; P149-F179 HydrophobicContact CG-CG 4.01Å
150	R	80	Confident	82.9	Confident	134 Å²	134	62 Å²	62	51%	0.506	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-8.1	176.1	-56.9	-161.9	97.2	-175.9	5.5	114	C148 C152 R177	C148-R150 PolarHBondContact O-N 3.32Å; C148-R150 VanDerWaalsContact O-N 3.14Å; R150-C152 VanDerWaalsContact C-N 3.3Å; R150-C152 PolarHBondContact O-N 2.89Å; R150-R177 VanDerWaalsContact CZ-CZ 3.45Å
151	G	79.9	Confident	82.3	Confident	30 Å²	30	67.1 Å²	67.1	31%	0.309	36%	0.355	S	S	.	.			trans	69.8	26.3	-178.7	0	0	0	0	0	113.7	C148 P149 G153	C148-G151 PolarHBondContact O-N 3.05Å; P149-G151 PolarHBondContact O-N 3.14Å; G151-G153 PolarHBondContact O-N 3.43Å; G151-G153 VanDerWaalsContact O-N 3.16Å
152	C	86.5	Confident	81.4	Confident	24 Å²	24	69.6 Å²	69.6	16%	0.162	37%	0.373	C	S	.	.	S	Bend	trans	-71.9	1.1	179.8	65.1	0	0	0	0	115	C148 R150 Y154 C169 H171 C174	C148-C152 WeakPolarHBondContact CB-SG 3.4Å; C148-C152 VanDerWaalsContact SG-SG 3.6Å; R150-C152 VanDerWaalsContact C-N 3.3Å; R150-C152 PolarHBondContact O-N 2.89Å; C152-Y154 VanDerWaalsContact C-N 3.31Å; C152-Y154 PolarHBondContact O-N 3.25Å; C152-C169 VanDerWaalsContact SG-SG 3.61Å; C152-H171 HydrophobicContact CB-CB 4.11Å; C152-H171 PolarHBondContact O-CD2 3.22Å; C152-H171 VanDerWaalsContact O-CD2 3.31Å; C152-H171 PolarHBondContact O-CE1 3.45Å; C152-H171 PolarHBondContact O-NE2 3.43Å; C152-H171 VanDerWaalsContact O-NE2 3.11Å; C152-H171 VanDerWaalsContact SG-CB 3.53Å; C152-C174 VanDerWaalsContact CB-SG 3.5Å; C152-C174 PolarHBondContact SG-SG 3.34Å
153	G	82	Confident	80.6	Confident	49 Å²	49	68.4 Å²	68.4	51%	0.505	38%	0.38	S	S	.	.	S	Bend	trans	81.3	1.8	-175.2	0	0	0	0	0	114.9	W147 G151	W147-G153 WeakPolarHBondContact CZ3-O 3.49Å; G151-G153 PolarHBondContact O-N 3.43Å; G151-G153 VanDerWaalsContact O-N 3.16Å
154	Y	86	Confident	80.3	Confident	68 Å²	68	64.9 Å²	64.9	27%	0.267	36%	0.358	S	S	.	.			trans	-88.5	123.8	173.9	-171.6	-97.1	0	0	0	111.7	C148 C152 L156 L170 H171	C148-Y154 PolarHBondContact N-O 2.86Å; C152-Y154 VanDerWaalsContact C-N 3.31Å; C152-Y154 PolarHBondContact O-N 3.25Å; Y154-L156 HydrophobicContact CE1-CB 4.34Å; Y154-L156 HydrophobicContact CE1-CD2 4.14Å; Y154-L170 HydrophobicContact CE2-CB 4.04Å; Y154-L170 WeakPolarHBondContact OH-CD1 3.28Å; Y154-H171 HydrophobicContact CG-CB 4.4Å
155	G	86.7	Confident	80.2	Confident	27 Å²	27	63.4 Å²	63.4	28%	0.278	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	149.3	174.5	0	0	0	0	0	110.9	R146	R146-G155 WeakPolarHBondContact O-CA 3.32Å
156	L	86.5	Confident	80.1	Confident	23 Å²	23	67.6 Å²	67.6	12%	0.12	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	150.8	177.7	61.4	105.7	0	0	0	110.7	A145 R146 Y154 A158 I167 F179	A145-L156 CarbonylContact C-O 3.51Å; A145-L156 VanDerWaalsContact CA-O 3.31Å; A145-L156 WeakPolarHBondContact CA-O 3.5Å; R146-L156 HydrophobicContact CB-CD1 4.46Å; R146-L156 HydrophobicContact CB-CG 4.46Å; R146-L156 PolarHBondContact N-O 2.92Å; R146-L156 PolarHBondContact O-N 3.34Å; Y154-L156 HydrophobicContact CE1-CB 4.34Å; Y154-L156 HydrophobicContact CE1-CD2 4.14Å; L156-A158 HydrophobicContact CD1-CB 4Å; L156-I167 HydrophobicContact CD1-CD1 3.88Å; L156-I167 HydrophobicContact CD1-CG1 4.3Å; L156-I167 HydrophobicContact CD1-CG2 3.9Å; L156-I167 HydrophobicContact CD2-CB 4.37Å; L156-I167 HydrophobicContact CD2-CD1 4.27Å; L156-I167 HydrophobicContact CD2-CG2 3.16Å; L156-I167 HydrophobicContact CG-CG2 4.1Å; L156-F179 HydrophobicContact CD2-CZ 3.95Å
157	I	87.6	Confident	80.1	Confident	96 Å²	96	66.4 Å²	66.4	49%	0.492	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	116.7	174.8	-56.9	174.6	0	0	0	106.9	E144 A145	E144-I157 HydrophobicContact CB-CG2 4.08Å; E144-I157 WeakPolarHBondContact O-CA 3.08Å; A145-I157 HydrophobicContact CB-CG1 4.13Å
158	A	81.7	Confident	80.2	Confident	14 Å²	14	66.3 Å²	66.3	12%	0.116	38%	0.376	C	S	.	.			trans	-113.2	106.6	-173.7	0	0	0	0	0	109.3	E144 L156 F161 F181	E144-A158 WeakPolarHBondContact CB-O 3.24Å; E144-A158 PolarHBondContact O-N 2.81Å; L156-A158 HydrophobicContact CD1-CB 4Å; A158-F161 HydrophobicContact CB-CD2 3.83Å; A158-F161 HydrophobicContact CB-CE2 3.54Å; A158-F181 HydrophobicContact CB-CD2 3.79Å; A158-F181 HydrophobicContact CB-CE2 3.54Å; A158-F181 HydrophobicContact CB-CZ 4.47Å
159	H	79.4	Confident	80.2	Confident	121 Å²	121	66 Å²	66	56%	0.56	37%	0.373	S	S	*	.			trans	-80.2	136.2	-178.7	-61.4	90.3	0	0	0	111.8	E144 F161	E144-H159 WeakPolarHBondContact OE2-CA 3.45Å; E144-H159 IonicContact OE2-CD2 2.92Å; E144-H159 PolarHBondContact OE2-CD2 2.82Å; E144-H159 IonicContact OE2-CG 3.5Å; E144-H159 IonicContact OE2-NE2 3.71Å; H159-F161 VanDerWaalsContact O-CD2 3.24Å; H159-F161 WeakPolarHBondContact O-CD2 3.4Å; H159-F161 WeakPolarHBondContact O-CE2 3.1Å; H159-F161 PolarHBondContact O-N 3.45Å
160	S	66.9	Low	80.3	Confident	100 Å²	100	68.5 Å²	68.5	70%	0.699	38%	0.382	S	S	*	.			trans	55.1	54	159.1	55.7	0	0	0	0	117.6	E144	E144-S160 PolarHBondContact OE1-N 2.87Å
161	F	68.1	Low	80.5	Confident	127 Å²	127	64.6 Å²	64.6	56%	0.557	37%	0.37	S	S	*	.			trans	-105.3	125.4	170.4	-58.7	-78.4	0	0	0	112.1	A158 H159 P165	A158-F161 HydrophobicContact CB-CD2 3.83Å; A158-F161 HydrophobicContact CB-CE2 3.54Å; H159-F161 VanDerWaalsContact O-CD2 3.24Å; H159-F161 WeakPolarHBondContact O-CD2 3.4Å; H159-F161 WeakPolarHBondContact O-CE2 3.1Å; H159-F161 PolarHBondContact O-N 3.45Å; F161-P165 HydrophobicContact CB-CG 4.02Å; F161-P165 HydrophobicContact CD1-CB 4.49Å; F161-P165 HydrophobicContact CD1-CG 4.43Å; F161-P165 HydrophobicContact CD2-CG 4.24Å; F161-P165 HydrophobicContact CG-CB 4.5Å; F161-P165 HydrophobicContact CG-CG 3.96Å
162	H	61.9	Low	80.7	Confident	197 Å²	197	65 Å²	65	91%	0.912	37%	0.366	S	S	*	.	S	Bend	trans	-80.7	-28.4	174.7	-80.4	-75.6	0	0	0	113.4
163	A	68	Low	80.5	Confident	77 Å²	77	69.3 Å²	69.3	64%	0.636	39%	0.386	S	S	*	.	S	Bend	trans	-94.2	178.7	179.2	0	0	0	0	0	111.6	P165	A163-P165 VanDerWaalsContact C-CD 3.48Å; A163-P165 WeakPolarHBondContact O-CD 3.16Å
164	C	74.8	Confident	80.6	Confident	19 Å²	19	67 Å²	67	13%	0.128	36%	0.362	C	S	.	.			trans	-85.9	88	166.7	-80.1	0	0	0	0	109.6	K182 C206 E209	C164-K182 VanDerWaalsContact SG-CD 3.59Å; C164-C206 HydrophobicContact CB-CB 4.29Å; C164-C206 WeakPolarHBondContact SG-CB 3.34Å; C164-C206 PolarHBondContact SG-SG 3.04Å; C164-E209 PolarHBondContact SG-OE2 3.47Å
165	P	81.6	Confident	80.3	Confident	29 Å²	29	70.8 Å²	70.8	19%	0.188	38%	0.382	C	S	.	.			trans	-66.2	146.9	-179.3	29.3	-37.4	0	0	0	111	F161 A163 F181	F161-P165 HydrophobicContact CB-CG 4.02Å; F161-P165 HydrophobicContact CD1-CB 4.49Å; F161-P165 HydrophobicContact CD1-CG 4.43Å; F161-P165 HydrophobicContact CD2-CG 4.24Å; F161-P165 HydrophobicContact CG-CB 4.5Å; F161-P165 HydrophobicContact CG-CG 3.96Å; A163-P165 VanDerWaalsContact C-CD 3.48Å; A163-P165 WeakPolarHBondContact O-CD 3.16Å; P165-F181 HydrophobicContact CG-CB 3.84Å; P165-F181 HydrophobicContact CG-CG 4.4Å; P165-F181 PolarHBondContact O-N 2.84Å
166	Q	83.6	Confident	80	Confident	94 Å²	94	71.3 Å²	71.3	44%	0.439	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	127	163.3	-175.8	-179.8	9.2	0	0	107.9	S178 W187	Q166-S178 VanDerWaalsContact CG-CB 3.48Å; Q166-S178 VanDerWaalsContact NE2-CB 3.28Å; Q166-S178 PolarHBondContact NE2-OG 3.38Å; Q166-W187 HydrophobicContact CB-CD2 3.75Å; Q166-W187 HydrophobicContact CB-CE3 3.75Å; Q166-W187 HydrophobicContact CB-CG 4.43Å; Q166-W187 HydrophobicContact CB-CH2 3.84Å; Q166-W187 HydrophobicContact CB-CZ2 3.87Å; Q166-W187 HydrophobicContact CB-CZ3 3.79Å; Q166-W187 HydrophobicContact CG-CB 4.29Å; Q166-W187 HydrophobicContact CG-CD2 3.56Å; Q166-W187 HydrophobicContact CG-CE3 3.96Å; Q166-W187 HydrophobicContact CG-CG 3.7Å; Q166-W187 HydrophobicContact CG-CZ2 4.37Å; Q166-W187 HydrophobicContact CG-CZ3 4.49Å; Q166-W187 VanDerWaalsContact NE2-CD1 3.32Å
167	I	84	Confident	79.8	Confident	20 Å²	20	76.2 Å²	76.2	10%	0.103	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128.5	173.8	-50	159.5	0	0	0	109	L156 S178 F179 F181	L156-I167 HydrophobicContact CD1-CD1 3.88Å; L156-I167 HydrophobicContact CD1-CG1 4.3Å; L156-I167 HydrophobicContact CD1-CG2 3.9Å; L156-I167 HydrophobicContact CD2-CB 4.37Å; L156-I167 HydrophobicContact CD2-CD1 4.27Å; L156-I167 HydrophobicContact CD2-CG2 3.16Å; L156-I167 HydrophobicContact CG-CG2 4.1Å; I167-S178 CarbonylContact O-C 3.42Å; I167-S178 WeakPolarHBondContact O-CA 3.45Å; I167-S178 WeakPolarHBondContact O-CB 3.43Å; I167-F179 HydrophobicContact CB-CE1 4.42Å; I167-F179 HydrophobicContact CB-CE2 4.34Å; I167-F179 HydrophobicContact CB-CZ 4.23Å; I167-F179 HydrophobicContact CD1-CD2 4.09Å; I167-F179 HydrophobicContact CD1-CE2 3.53Å; I167-F179 HydrophobicContact CD1-CZ 4Å; I167-F179 HydrophobicContact CG2-CE1 4.37Å; I167-F179 HydrophobicContact CG2-CZ 4.17Å; I167-F179 PolarHBondContact N-O 2.98Å; I167-F179 PolarHBondContact O-N 2.91Å; I167-F181 VanDerWaalsContact CD1-CA 3.41Å; I167-F181 HydrophobicContact CD1-CB 3.57Å; I167-F181 HydrophobicContact CD1-CD2 3.72Å; I167-F181 HydrophobicContact CD1-CG 4.1Å; I167-F181 HydrophobicContact CG1-CB 4.05Å; I167-F181 HydrophobicContact CG1-CD2 4.46Å
168	V	87.3	Confident	79.7	Confident	64 Å²	64	72.5 Å²	72.5	39%	0.388	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	129.5	174.4	173.2	0	0	0	0	109.6	L170 G176	V168-L170 HydrophobicContact CG1-CD2 4.33Å; V168-L170 PolarHBondContact O-N 3.45Å; V168-G176 WeakPolarHBondContact CG1-O 3.2Å
169	C	88.6	Confident	80	Confident	0 Å²	0	72 Å²	72	0%	0	38%	0.382	C	S	.	.			trans	-78.6	116.9	171.9	-174.1	0	0	0	0	110.2	C148 C152 H171 C174 G176 R177 F179	C148-C169 PolarHBondContact SG-SG 2.92Å; C152-C169 VanDerWaalsContact SG-SG 3.61Å; C169-H171 PolarHBondContact O-N 3.11Å; C169-H171 VanDerWaalsContact SG-CB 3.53Å; C169-C174 HydrophobicContact CB-CB 3.87Å; C169-C174 VanDerWaalsContact SG-CB 3.57Å; C169-G176 WeakPolarHBondContact O-CA 3.01Å; C169-R177 PolarHBondContact N-O 3.19Å; C169-F179 HydrophobicContact CB-CE1 4.3Å
170	L	85.5	Confident	80.3	Confident	125 Å²	125	66.3 Å²	66.3	65%	0.654	36%	0.356	S	S	*	.			trans	-83.4	7.9	177.8	-60.1	179.2	0	0	0	113.4	Y154 V168	Y154-L170 HydrophobicContact CE2-CB 4.04Å; Y154-L170 WeakPolarHBondContact OH-CD1 3.28Å; V168-L170 HydrophobicContact CG1-CD2 4.33Å; V168-L170 PolarHBondContact O-N 3.45Å
171	H	84.4	Confident	81	Confident	53 Å²	53	63 Å²	63	25%	0.245	33%	0.329	C	S	.	.			trans	-75.3	137	177.4	-160.8	-88.1	0	0	0	110.5	C152 Y154 C169 M173 C174	C152-H171 HydrophobicContact CB-CB 4.11Å; C152-H171 PolarHBondContact O-CD2 3.22Å; C152-H171 VanDerWaalsContact O-CD2 3.31Å; C152-H171 PolarHBondContact O-CE1 3.45Å; C152-H171 PolarHBondContact O-NE2 3.43Å; C152-H171 VanDerWaalsContact O-NE2 3.11Å; C152-H171 VanDerWaalsContact SG-CB 3.53Å; Y154-H171 HydrophobicContact CG-CB 4.4Å; C169-H171 PolarHBondContact O-N 3.11Å; C169-H171 VanDerWaalsContact SG-CB 3.53Å; H171-M173 VanDerWaalsContact C-N 3.31Å; H171-M173 WeakPolarHBondContact ND1-CB 3.39Å; H171-M173 PolarHBondContact ND1-N 3.11Å; H171-M173 PolarHBondContact O-N 3.45Å; H171-C174 HydrophobicContact CB-CB 4.33Å; H171-C174 PolarHBondContact O-N 3.38Å
172	P	83.7	Confident	81.5	Confident	37 Å²	37	59.7 Å²	59.7	24%	0.24	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-52	-48.7	179.4	17.3	-31.9	0	0	0	113.1	C174 E175 P545	P172-C174 PolarHBondContact O-N 3.26Å; P172-E175 PolarHBondContact O-N 3.14Å; P172-P545 HydrophobicContact CB-CG 3.35Å; P172-P545 HydrophobicContact CG-CG 3.19Å
173	M	83.4	Confident	82.3	Confident	116 Å²	116	51.7 Å²	51.7	57%	0.571	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-64.7	-7.9	-177.7	-57.6	-66.2	-152.2	0	0	113.4	H171 L542	H171-M173 VanDerWaalsContact C-N 3.31Å; H171-M173 WeakPolarHBondContact ND1-CB 3.39Å; H171-M173 PolarHBondContact ND1-N 3.11Å; H171-M173 PolarHBondContact O-N 3.45Å; M173-L542 HydrophobicContact SD-CD1 4.42Å; M173-L542 HydrophobicContact SD-CD2 3.85Å
174	C	82.1	Confident	82.8	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.007	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-110.2	-2.8	-177.8	-70.2	0	0	0	0	114	C148 C152 C169 H171 P172 G176 R177	C148-C174 VanDerWaalsContact SG-SG 3.68Å; C152-C174 VanDerWaalsContact CB-SG 3.5Å; C152-C174 PolarHBondContact SG-SG 3.34Å; C169-C174 HydrophobicContact CB-CB 3.87Å; C169-C174 VanDerWaalsContact SG-CB 3.57Å; H171-C174 HydrophobicContact CB-CB 4.33Å; H171-C174 PolarHBondContact O-N 3.38Å; P172-C174 PolarHBondContact O-N 3.26Å; C174-G176 PolarHBondContact O-N 3.2Å; C174-G176 VanDerWaalsContact O-N 3.11Å; C174-R177 WeakPolarHBondContact O-CB 3.25Å; C174-R177 VanDerWaalsContact O-CG 3.27Å; C174-R177 WeakPolarHBondContact O-CG 3.37Å; C174-R177 PolarHBondContact O-N 2.94Å
175	E	81.6	Confident	83	Confident	146 Å²	146	57.5 Å²	57.5	68%	0.682	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	38.6	172.6	-60.5	171.9	164.1	0	0	113.9	P172 R177	P172-E175 PolarHBondContact O-N 3.14Å; E175-R177 PolarHBondContact O-N 3.35Å
176	G	80.1	Confident	83	Confident	39 Å²	39	60.5 Å²	60.5	40%	0.402	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	17.7	179.2	0	0	0	0	0	114.7	V168 C169 C174 S178	V168-G176 WeakPolarHBondContact CG1-O 3.2Å; C169-G176 WeakPolarHBondContact O-CA 3.01Å; C174-G176 PolarHBondContact O-N 3.2Å; C174-G176 VanDerWaalsContact O-N 3.11Å; G176-S178 PolarHBondContact O-N 2.94Å
177	R	82.1	Confident	82.9	Confident	126 Å²	126	58.5 Å²	58.5	48%	0.475	29%	0.291	S	S	.	.			trans	-58.6	132.9	176.7	-76.2	-179.3	-155.6	-155	1.6	111	R150 C169 C174 E175	R150-R177 VanDerWaalsContact CZ-CZ 3.45Å; C169-R177 PolarHBondContact N-O 3.19Å; C174-R177 WeakPolarHBondContact O-CB 3.25Å; C174-R177 VanDerWaalsContact O-CG 3.27Å; C174-R177 WeakPolarHBondContact O-CG 3.37Å; C174-R177 PolarHBondContact O-N 2.94Å; E175-R177 PolarHBondContact O-N 3.35Å
178	S	85.6	Confident	82	Confident	17 Å²	17	62 Å²	62	12%	0.119	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	148.8	175	41.1	0	0	0	0	113.1	Q166 I167 G176 W187	Q166-S178 VanDerWaalsContact CG-CB 3.48Å; Q166-S178 VanDerWaalsContact NE2-CB 3.28Å; Q166-S178 PolarHBondContact NE2-OG 3.38Å; I167-S178 CarbonylContact O-C 3.42Å; I167-S178 WeakPolarHBondContact O-CA 3.45Å; I167-S178 WeakPolarHBondContact O-CB 3.43Å; G176-S178 PolarHBondContact O-N 2.94Å; S178-W187 WeakPolarHBondContact O-CB 3.11Å; S178-W187 PolarHBondContact O-N 2.95Å; S178-W187 WeakPolarHBondContact OG-CB 3.47Å
179	F	86.8	Confident	80.5	Confident	5 Å²	5	63.1 Å²	63.1	2%	0.022	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	159.4	173	62.1	-86.4	0	0	0	110.3	C148 P149 L156 I167 C169 R185	C148-F179 HydrophobicContact CB-CE1 4.4Å; P149-F179 HydrophobicContact CG-CB 4.17Å; P149-F179 HydrophobicContact CG-CD1 4.19Å; P149-F179 HydrophobicContact CG-CD2 4.4Å; P149-F179 HydrophobicContact CG-CG 4.01Å; L156-F179 HydrophobicContact CD2-CZ 3.95Å; I167-F179 HydrophobicContact CB-CE1 4.42Å; I167-F179 HydrophobicContact CB-CE2 4.34Å; I167-F179 HydrophobicContact CB-CZ 4.23Å; I167-F179 HydrophobicContact CD1-CD2 4.09Å; I167-F179 HydrophobicContact CD1-CE2 3.53Å; I167-F179 HydrophobicContact CD1-CZ 4Å; I167-F179 HydrophobicContact CG2-CE1 4.37Å; I167-F179 HydrophobicContact CG2-CZ 4.17Å; I167-F179 PolarHBondContact N-O 2.98Å; I167-F179 PolarHBondContact O-N 2.91Å; C169-F179 HydrophobicContact CB-CE1 4.3Å; F179-R185 CarbonylContact C-O 3.47Å; F179-R185 WeakPolarHBondContact CA-O 3.48Å; F179-R185 VanDerWaalsContact CB-O 3.23Å; F179-R185 WeakPolarHBondContact CB-O 3.21Å
180	C	85.2	Confident	78.6	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	133.6	177.8	170.7	0	0	0	0	111.8	K182 C183 R184 R185 W187 H204	C180-K182 PolarHBondContact O-N 3.21Å; C180-K182 VanDerWaalsContact O-N 3.14Å; C180-K182 PolarHBondContact SG-N 3.49Å; C180-C183 WeakPolarHBondContact CB-SG 3.16Å; C180-R184 WeakPolarHBondContact O-CA 3.38Å; C180-R184 PolarHBondContact O-N 3.08Å; C180-R185 PolarHBondContact N-O 3.27Å; C180-W187 HydrophobicContact CB-CE3 4.19Å; C180-W187 HydrophobicContact CB-CZ3 4.38Å; C180-H204 VanDerWaalsContact CB-CE1 3.48Å; C180-H204 WeakPolarHBondContact CB-CE1 3.47Å; C180-H204 WeakPolarHBondContact CB-NE2 3.47Å; C180-H204 PolarHBondContact SG-CE1 2.67Å
181	F	82.9	Confident	76.4	Confident	31 Å²	31	68 Å²	68	14%	0.136	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-35.2	178.2	-178.6	-89.6	0	0	0	114.9	E144 R146 A158 P165 I167	E144-F181 VanDerWaalsContact O-CE2 3.32Å; E144-F181 WeakPolarHBondContact O-CE2 3.43Å; R146-F181 HydrophobicContact CB-CD2 4.47Å; R146-F181 HydrophobicContact CB-CE2 4.35Å; R146-F181 WeakPolarHBondContact CD-O 3.46Å; R146-F181 HydrophobicContact CG-CD2 3.58Å; R146-F181 HydrophobicContact CG-CE1 4.47Å; R146-F181 HydrophobicContact CG-CE2 3.35Å; R146-F181 HydrophobicContact CG-CG 4.18Å; R146-F181 HydrophobicContact CG-CZ 3.83Å; R146-F181 PolarHBondContact NE-O 2.82Å; R146-F181 VanDerWaalsContact NH2-CE1 3.3Å; A158-F181 HydrophobicContact CB-CD2 3.79Å; A158-F181 HydrophobicContact CB-CE2 3.54Å; A158-F181 HydrophobicContact CB-CZ 4.47Å; P165-F181 HydrophobicContact CG-CB 3.84Å; P165-F181 HydrophobicContact CG-CG 4.4Å; P165-F181 PolarHBondContact O-N 2.84Å; I167-F181 VanDerWaalsContact CD1-CA 3.41Å; I167-F181 HydrophobicContact CD1-CB 3.57Å; I167-F181 HydrophobicContact CD1-CD2 3.72Å; I167-F181 HydrophobicContact CD1-CG 4.1Å; I167-F181 HydrophobicContact CG1-CB 4.05Å; I167-F181 HydrophobicContact CG1-CD2 4.46Å
182	K	78.9	Confident	74.1	Confident	58 Å²	58	71.1 Å²	71.1	25%	0.252	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-50.2	-170.1	-161.3	172.3	179.2	177.8	0	112.6	C164 C180 A208 E209	C164-K182 VanDerWaalsContact SG-CD 3.59Å; C180-K182 PolarHBondContact O-N 3.21Å; C180-K182 VanDerWaalsContact O-N 3.14Å; C180-K182 PolarHBondContact SG-N 3.49Å; K182-A208 HydrophobicContact CD-CB 4.09Å; K182-A208 HydrophobicContact CG-CB 3.91Å; K182-E209 IonicContact NZ-OE1 2.8Å; K182-E209 PolarHBondContact NZ-OE1 3.02Å; K182-E209 IonicContact NZ-OE2 3.59Å; K182-E209 PolarHBondContact NZ-OE2 3.38Å
183	C	77.7	Confident	71.8	Confident	28 Å²	28	76.5 Å²	76.5	19%	0.189	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-17.5	-179.7	68.9	0	0	0	0	113.9	C180 R185 H204	C180-C183 WeakPolarHBondContact CB-SG 3.16Å; C183-R185 HydrophobicContact CB-CG 4.31Å; C183-R185 PolarHBondContact O-N 3.09Å; C183-H204 PolarHBondContact SG-CE1 3.42Å; C183-H204 PolarHBondContact SG-NE2 3.46Å
184	R	77.9	Confident	69.5	Low	81 Å²	81	78.8 Å²	78.8	31%	0.306	42%	0.417	S	S	.	.			trans	63.5	13.1	-178	-50.9	169.2	-143.8	-130.1	-1	114.5	C180	C180-R184 WeakPolarHBondContact O-CA 3.38Å; C180-R184 PolarHBondContact O-N 3.08Å
185	R	80.3	Confident	67.1	Low	137 Å²	137	84.6 Å²	84.6	52%	0.517	46%	0.458	S	S	.	.			trans	-73.7	149.8	174.2	-67.5	-177.1	-179.3	169.1	-3.6	110.2	F179 C180 C183 W187 P207	F179-R185 CarbonylContact C-O 3.47Å; F179-R185 WeakPolarHBondContact CA-O 3.48Å; F179-R185 VanDerWaalsContact CB-O 3.23Å; F179-R185 WeakPolarHBondContact CB-O 3.21Å; C180-R185 PolarHBondContact N-O 3.27Å; C183-R185 HydrophobicContact CB-CG 4.31Å; C183-R185 PolarHBondContact O-N 3.09Å; R185-W187 PolarHBondContact O-N 3.28Å; R185-P207 VanDerWaalsContact CZ-CG 3.42Å
186	P	82	Confident	65	Low	93 Å²	93	81.5 Å²	81.5	60%	0.604	45%	0.452	S	S	*	.	B	Isolated β-bridge	trans	-50.8	138.5	165.8	-21.1	31.8	0	0	0	109.7	S188	P186-S188 PolarHBondContact O-N 3.03Å
187	W	80.1	Confident	62.9	Low	51 Å²	51	85.5 Å²	85.5	19%	0.193	47%	0.474	C	S	.	.			trans	-88.1	103.5	174	-170.8	-76.7	0	0	0	107.6	Q166 S178 C180 R185 H204	Q166-W187 HydrophobicContact CB-CD2 3.75Å; Q166-W187 HydrophobicContact CB-CE3 3.75Å; Q166-W187 HydrophobicContact CB-CG 4.43Å; Q166-W187 HydrophobicContact CB-CH2 3.84Å; Q166-W187 HydrophobicContact CB-CZ2 3.87Å; Q166-W187 HydrophobicContact CB-CZ3 3.79Å; Q166-W187 HydrophobicContact CG-CB 4.29Å; Q166-W187 HydrophobicContact CG-CD2 3.56Å; Q166-W187 HydrophobicContact CG-CE3 3.96Å; Q166-W187 HydrophobicContact CG-CG 3.7Å; Q166-W187 HydrophobicContact CG-CZ2 4.37Å; Q166-W187 HydrophobicContact CG-CZ3 4.49Å; Q166-W187 VanDerWaalsContact NE2-CD1 3.32Å; S178-W187 WeakPolarHBondContact O-CB 3.11Å; S178-W187 PolarHBondContact O-N 2.95Å; S178-W187 WeakPolarHBondContact OG-CB 3.47Å; C180-W187 HydrophobicContact CB-CE3 4.19Å; C180-W187 HydrophobicContact CB-CZ3 4.38Å; R185-W187 PolarHBondContact O-N 3.28Å; W187-H204 HydrophobicContact CD2-CB 4.28Å; W187-H204 HydrophobicContact CE3-CB 3.85Å; W187-H204 AromaticContact CE3-CD2 3.86Å; W187-H204 AromaticContact CE3-CG 3.88Å; W187-H204 HydrophobicContact CH2-CB 3.26Å; W187-H204 HydrophobicContact CZ2-CB 3.72Å; W187-H204 HydrophobicContact CZ3-CB 3.33Å; W187-H204 AromaticContact CZ3-CG 3.58Å
188	S	65.4	Low	60.9	Low	93 Å²	93	87 Å²	87	65%	0.65	49%	0.491	S	S	*	.			trans	-73.3	127.5	176.4	-55.7	0	0	0	0	110	P186	P186-S188 PolarHBondContact O-N 3.03Å
189	S	56.6	Low	58.5	Low	88 Å²	88	90.8 Å²	90.8	62%	0.615	51%	0.507	S	S	*	.			trans	-119.4	21.8	175.7	56.5	0	0	0	0	112.5	T191	S189-T191 PolarHBondContact O-N 3.43Å
190	D	47.5	Very low	56.1	Low	137 Å²	137	98.3 Å²	98.3	73%	0.733	55%	0.547	S	S	*	.			trans	-82.7	85.8	-170.4	-56.6	-35.7	0	0	0	111.3
191	T	41	Very low	54.1	Low	92 Å²	92	105.6 Å²	105.6	56%	0.564	59%	0.586	S	S	*	*			trans	-115.3	67.2	152.3	9.6	0	0	0	0	108.7	S189 N193	S189-T191 PolarHBondContact O-N 3.43Å; T191-N193 PolarHBondContact O-N 2.76Å
192	T	34.7	Very low	52.6	Low	117 Å²	117	109.4 Å²	109.4	72%	0.718	61%	0.612	S	S	*	*			trans	-78.6	113.5	162	42.8	0	0	0	0	108.6
193	N	35.9	Very low	51.7	Low	150 Å²	150	113.9 Å²	113.9	80%	0.802	64%	0.636	S	S	*	*	S	Bend	trans	79.7	82	168.5	-45.9	-32	0	0	0	116.1	T191	T191-N193 PolarHBondContact O-N 2.76Å
194	E	35	Very low	51.1	Low	165 Å²	165	114.4 Å²	114.4	77%	0.771	64%	0.635	S	S	*	*				-164.7	118.6	123.7	-106	177.2	-161	0	0	110.8	S196	E194-S196 PolarHBondContact O-N 3.38Å
195	S	31.7	Very low	50.5	Low	123 Å²	123	116.3 Å²	116.3	86%	0.86	65%	0.65	S	S	*	*			trans	-45.4	102.3	168.4	45	0	0	0	0	112.7
196	S	36.5	Very low	49.9	Very low	80 Å²	80	110 Å²	110	56%	0.559	63%	0.627	S	S	*	*			trans	-164.5	120.7	152.5	44.5	0	0	0	0	109.9	E194 D198	E194-S196 PolarHBondContact O-N 3.38Å; S196-D198 PolarHBondContact O-N 3.29Å
197	S	36.6	Very low	49.1	Very low	124 Å²	124	107.2 Å²	107.2	87%	0.867	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	52.4	-172.6	49.7	0	0	0	0	114
198	D	39.7	Very low	48.1	Very low	157 Å²	157	106.4 Å²	106.4	84%	0.84	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.4	13.6	178.4	-92.4	-29.4	0	0	0	114.5	S196 N200	S196-D198 PolarHBondContact O-N 3.29Å; D198-N200 PolarHBondContact O-N 3.23Å
199	Q	36.8	Very low	47.6	Very low	97 Å²	97	105.3 Å²	105.3	45%	0.453	60%	0.598	S	S	.	*			trans	-90.3	36.6	-173.3	-61.8	-173.6	16.9	0	0	115.8	N201	Q199-N201 PolarHBondContact O-N 2.89Å; Q199-N201 VanDerWaalsContact O-N 3.11Å
200	N	35.7	Very low	47.4	Very low	162 Å²	162	106.6 Å²	106.6	87%	0.866	59%	0.594	S	S	*	*			trans	-83.2	70.4	172.6	-79.8	-18.9	0	0	0	111.9	D198	D198-N200 PolarHBondContact O-N 3.23Å
201	N	43.7	Very low	47.6	Very low	153 Å²	153	104.6 Å²	104.6	82%	0.818	58%	0.583	S	S	*	*			trans	158.1	73.2	153.6	-100.2	-35.4	0	0	0	112.7	Q199 M203	Q199-N201 PolarHBondContact O-N 2.89Å; Q199-N201 VanDerWaalsContact O-N 3.11Å; N201-M203 VanDerWaalsContact C-N 3.32Å; N201-M203 PolarHBondContact O-N 3.45Å
202	V	51.4	Low	48	Very low	111 Å²	111	107 Å²	107	67%	0.673	59%	0.586	S	S	*	*			trans	-78.7	90	160.8	-176	0	0	0	0	107.9	H204	V202-H204 PolarHBondContact O-N 3.24Å
203	M	58.5	Low	48.7	Very low	152 Å²	152	110.9 Å²	110.9	75%	0.749	59%	0.587	S	S	*	*			trans	-73.4	115.6	178.8	-177.4	146.5	84.6	0	0	110.3	N201 I205	N201-M203 VanDerWaalsContact C-N 3.32Å; N201-M203 PolarHBondContact O-N 3.45Å; M203-I205 PolarHBondContact O-N 3Å
204	H	65.2	Low	49.3	Very low	39 Å²	39	105.6 Å²	105.6	18%	0.181	56%	0.562	C	S	.	*			trans	-52.4	122.1	171.9	164.5	-81.8	0	0	0	111.2	C180 C183 W187 V202 C206	C180-H204 VanDerWaalsContact CB-CE1 3.48Å; C180-H204 WeakPolarHBondContact CB-CE1 3.47Å; C180-H204 WeakPolarHBondContact CB-NE2 3.47Å; C180-H204 PolarHBondContact SG-CE1 2.67Å; C183-H204 PolarHBondContact SG-CE1 3.42Å; C183-H204 PolarHBondContact SG-NE2 3.46Å; W187-H204 HydrophobicContact CD2-CB 4.28Å; W187-H204 HydrophobicContact CE3-CB 3.85Å; W187-H204 AromaticContact CE3-CD2 3.86Å; W187-H204 AromaticContact CE3-CG 3.88Å; W187-H204 HydrophobicContact CH2-CB 3.26Å; W187-H204 HydrophobicContact CZ2-CB 3.72Å; W187-H204 HydrophobicContact CZ3-CB 3.33Å; W187-H204 AromaticContact CZ3-CG 3.58Å; V202-H204 PolarHBondContact O-N 3.24Å; H204-C206 VanDerWaalsContact CE1-CA 3.45Å; H204-C206 WeakPolarHBondContact CE1-CA 3.36Å; H204-C206 VanDerWaalsContact CE1-CB 3.43Å; H204-C206 WeakPolarHBondContact CE1-CB 3.45Å; H204-C206 PolarHBondContact ND1-N 3.16Å; H204-C206 PolarHBondContact O-N 3.4Å
205	I	66.5	Low	50.1	Low	121 Å²	121	102.7 Å²	102.7	62%	0.621	55%	0.552	S	S	*	*			trans	-85.6	97.8	177.5	-56.8	173.8	0	0	0	108.7	M203 P207	M203-I205 PolarHBondContact O-N 3Å; I205-P207 WeakPolarHBondContact O-CD 3.1Å
206	C	66.4	Low	51.1	Low	4 Å²	4	99.8 Å²	99.8	3%	0.027	54%	0.536	C	S	.	.			trans	-83.5	119.7	175.8	-168.6	0	0	0	0	110.7	C164 H204 A208 E209 Q210	C164-C206 HydrophobicContact CB-CB 4.29Å; C164-C206 WeakPolarHBondContact SG-CB 3.34Å; C164-C206 PolarHBondContact SG-SG 3.04Å; H204-C206 VanDerWaalsContact CE1-CA 3.45Å; H204-C206 WeakPolarHBondContact CE1-CA 3.36Å; H204-C206 VanDerWaalsContact CE1-CB 3.43Å; H204-C206 WeakPolarHBondContact CE1-CB 3.45Å; H204-C206 PolarHBondContact ND1-N 3.16Å; H204-C206 PolarHBondContact O-N 3.4Å; C206-A208 PolarHBondContact O-N 3.29Å; C206-E209 HydrophobicContact CB-CB 4.17Å; C206-E209 WeakPolarHBondContact O-CB 3.43Å; C206-E209 PolarHBondContact O-N 3.11Å; C206-Q210 PolarHBondContact O-N 2.87Å
207	P	65.5	Low	52	Low	36 Å²	36	100.2 Å²	100.2	23%	0.234	53%	0.531	C	S	.	.	H	α-helix	trans	-58.1	-33.2	174.8	-19.3	27.9	0	0	0	112.2	R185 I205 E209 Q210 D211	R185-P207 VanDerWaalsContact CZ-CG 3.42Å; I205-P207 WeakPolarHBondContact O-CD 3.1Å; P207-E209 PolarHBondContact O-N 2.83Å; P207-Q210 WeakPolarHBondContact O-CB 2.88Å; P207-Q210 PolarHBondContact O-N 3.45Å; P207-Q210 VanDerWaalsContact O-N 3.16Å; P207-D211 PolarHBondContact O-N 3.14Å; P207-D211 VanDerWaalsContact O-N 3.11Å
208	A	59.1	Low	52.7	Low	33 Å²	33	98 Å²	98	27%	0.273	51%	0.51	S	S	.	.	H	α-helix	trans	-69.4	-15.6	179	0	0	0	0	0	113.7	K182 C206	K182-A208 HydrophobicContact CD-CB 4.09Å; K182-A208 HydrophobicContact CG-CB 3.91Å; C206-A208 PolarHBondContact O-N 3.29Å
209	E	55	Low	53.2	Low	70 Å²	70	92.1 Å²	92.1	33%	0.327	49%	0.486	S	S	.	.	H	α-helix	trans	-87.8	-39.2	170.5	-143.5	77.8	-124	0	0	110.8	C164 K182 C206 P207 D211 K212 R213	C164-E209 PolarHBondContact SG-OE2 3.47Å; K182-E209 IonicContact NZ-OE1 2.8Å; K182-E209 PolarHBondContact NZ-OE1 3.02Å; K182-E209 IonicContact NZ-OE2 3.59Å; K182-E209 PolarHBondContact NZ-OE2 3.38Å; C206-E209 HydrophobicContact CB-CB 4.17Å; C206-E209 WeakPolarHBondContact O-CB 3.43Å; C206-E209 PolarHBondContact O-N 3.11Å; P207-E209 PolarHBondContact O-N 2.83Å; E209-D211 VanDerWaalsContact C-N 3.26Å; E209-D211 PolarHBondContact O-N 3.33Å; E209-K212 PolarHBondContact O-N 3.31Å; E209-K212 VanDerWaalsContact O-N 3.13Å; E209-R213 PolarHBondContact O-N 3.42Å; E209-R213 VanDerWaalsContact O-N 3.14Å
210	Q	52.9	Low	54.2	Low	116 Å²	116	92.5 Å²	92.5	54%	0.542	49%	0.49	S	S	.	.	H	α-helix	trans	-57.6	-40	176.1	-90.4	177	-21.2	0	0	111.4	C206 P207 K212 R213 S214	C206-Q210 PolarHBondContact O-N 2.87Å; P207-Q210 WeakPolarHBondContact O-CB 2.88Å; P207-Q210 PolarHBondContact O-N 3.45Å; P207-Q210 VanDerWaalsContact O-N 3.16Å; Q210-K212 VanDerWaalsContact C-N 3.34Å; Q210-K212 PolarHBondContact O-N 3.44Å; Q210-R213 PolarHBondContact O-N 3.19Å; Q210-S214 WeakPolarHBondContact O-CB 3.42Å; Q210-S214 PolarHBondContact O-N 3.25Å; Q210-S214 PolarHBondContact O-OG 3.43Å
211	D	51.4	Low	55.1	Low	94 Å²	94	91.5 Å²	91.5	50%	0.503	47%	0.474	S	S	.	.	H	α-helix	trans	-64.6	-31.6	177.2	-76.2	-22.7	0	0	0	113.8	P207 E209 S214 N215	P207-D211 PolarHBondContact O-N 3.14Å; P207-D211 VanDerWaalsContact O-N 3.11Å; E209-D211 VanDerWaalsContact C-N 3.26Å; E209-D211 PolarHBondContact O-N 3.33Å; D211-S214 PolarHBondContact O-OG 3.05Å; D211-N215 VanDerWaalsContact O-CB 3.29Å; D211-N215 WeakPolarHBondContact O-CB 3.5Å; D211-N215 PolarHBondContact O-N 3.19Å; D211-N215 PolarHBondContact O-ND2 2.82Å
212	K	49.9	Very low	55.8	Low	143 Å²	143	88.8 Å²	88.8	62%	0.622	47%	0.467	S	S	*	.	H	α-helix	trans	-78.4	-39.3	177.6	-71.8	-172	179.6	-173	0	111.8	E209 Q210 A216	E209-K212 PolarHBondContact O-N 3.31Å; E209-K212 VanDerWaalsContact O-N 3.13Å; Q210-K212 VanDerWaalsContact C-N 3.34Å; Q210-K212 PolarHBondContact O-N 3.44Å; K212-A216 PolarHBondContact O-N 3.48Å
213	R	49.5	Very low	55.8	Low	198 Å²	198	91.8 Å²	91.8	75%	0.747	47%	0.472	S	S	*	.	H	α-helix	trans	-76.6	-34.9	-177.4	-147.1	174	-175.1	169.8	0.7	112.1	E209 Q210 L217	E209-R213 PolarHBondContact O-N 3.42Å; E209-R213 VanDerWaalsContact O-N 3.14Å; Q210-R213 PolarHBondContact O-N 3.19Å; R213-L217 PolarHBondContact O-N 3Å
214	S	49.4	Very low	55.4	Low	40 Å²	40	91.2 Å²	91.2	28%	0.28	47%	0.466	S	S	.	.	H	α-helix	trans	-66.3	-43.8	173.6	66.7	0	0	0	0	111	Q210 D211 A216 N218	Q210-S214 WeakPolarHBondContact O-CB 3.42Å; Q210-S214 PolarHBondContact O-N 3.25Å; Q210-S214 PolarHBondContact O-OG 3.43Å; D211-S214 PolarHBondContact O-OG 3.05Å; S214-A216 PolarHBondContact O-N 3.37Å; S214-N218 WeakPolarHBondContact O-CA 3.09Å; S214-N218 WeakPolarHBondContact O-CB 3.41Å; S214-N218 PolarHBondContact O-N 3.39Å; S214-N218 PolarHBondContact O-ND2 3.41Å; S214-N218 VanDerWaalsContact O-ND2 3.17Å
215	N	51.1	Low	54.3	Low	104 Å²	104	92.3 Å²	92.3	56%	0.556	49%	0.487	S	S	*	.	H	α-helix	trans	-70.9	-33.3	-175.8	-74.4	-32.8	0	0	0	114.2	D211 G219	D211-N215 VanDerWaalsContact O-CB 3.29Å; D211-N215 WeakPolarHBondContact O-CB 3.5Å; D211-N215 PolarHBondContact O-N 3.19Å; D211-N215 PolarHBondContact O-ND2 2.82Å; N215-G219 VanDerWaalsContact O-CA 3.3Å; N215-G219 WeakPolarHBondContact O-CA 3.46Å; N215-G219 PolarHBondContact O-N 3.36Å
216	A	52.6	Low	53.6	Low	62 Å²	62	92.4 Å²	92.4	51%	0.512	49%	0.487	S	S	.	.	H	α-helix	trans	-72.6	-45.1	177.8	0	0	0	0	0	112.2	K212 S214 L220	K212-A216 PolarHBondContact O-N 3.48Å; S214-A216 PolarHBondContact O-N 3.37Å; A216-L220 WeakPolarHBondContact O-CG 3.41Å; A216-L220 PolarHBondContact O-N 3.16Å; A216-L220 VanDerWaalsContact O-N 3.08Å
217	L	54.3	Low	52.2	Low	89 Å²	89	103.2 Å²	103.2	47%	0.466	53%	0.528	S	S	.	.	H	α-helix	trans	-81	-34.6	-176.9	-131.8	163	0	0	0	111.9	R213 R221	R213-L217 PolarHBondContact O-N 3Å; L217-R221 HydrophobicContact CD2-CG 4.42Å; L217-R221 WeakPolarHBondContact O-CB 3.42Å; L217-R221 WeakPolarHBondContact O-CG 3.44Å; L217-R221 PolarHBondContact O-N 3.48Å
218	N	52.8	Low	50.8	Low	78 Å²	78	111.8 Å²	111.8	42%	0.417	56%	0.555	S	S	.	*	H	α-helix	trans	-74.6	-34	171.9	-63	-24.9	0	0	0	111.6	S214 R221 S222	S214-N218 WeakPolarHBondContact O-CA 3.09Å; S214-N218 WeakPolarHBondContact O-CB 3.41Å; S214-N218 PolarHBondContact O-N 3.39Å; S214-N218 PolarHBondContact O-ND2 3.41Å; S214-N218 VanDerWaalsContact O-ND2 3.17Å; N218-R221 PolarHBondContact O-N 2.93Å; N218-S222 VanDerWaalsContact O-CB 3.24Å; N218-S222 WeakPolarHBondContact O-CB 3.31Å; N218-S222 PolarHBondContact O-N 3.45Å; N218-S222 PolarHBondContact O-OG 3.24Å
219	G	50.7	Low	49.5	Very low	33 Å²	33	119.3 Å²	119.3	34%	0.34	58%	0.582	S	S	.	*	H	α-helix	trans	-58.8	-48.2	170.7	0	0	0	0	0	111.6	N215 S222 F223	N215-G219 VanDerWaalsContact O-CA 3.3Å; N215-G219 WeakPolarHBondContact O-CA 3.46Å; N215-G219 PolarHBondContact O-N 3.36Å; G219-S222 PolarHBondContact O-N 3.48Å; G219-S222 PolarHBondContact O-OG 3.34Å; G219-F223 WeakPolarHBondContact O-CB 3.2Å; G219-F223 PolarHBondContact O-N 2.78Å
220	L	55.7	Low	48.6	Very low	104 Å²	104	121.2 Å²	121.2	55%	0.545	60%	0.603	S	S	.	*	H	α-helix	trans	-66.7	-42	175	-75.8	163.8	0	0	0	112.9	A216 S222 F223 F224	A216-L220 WeakPolarHBondContact O-CG 3.41Å; A216-L220 PolarHBondContact O-N 3.16Å; A216-L220 VanDerWaalsContact O-N 3.08Å; L220-S222 VanDerWaalsContact C-N 3.32Å; L220-S222 PolarHBondContact O-N 3.28Å; L220-F223 WeakPolarHBondContact O-CB 3.32Å; L220-F223 PolarHBondContact O-N 3.47Å; L220-F224 HydrophobicContact CD2-CE2 4.11Å; L220-F224 VanDerWaalsContact O-CD2 3.28Å; L220-F224 WeakPolarHBondContact O-CD2 3.48Å; L220-F224 PolarHBondContact O-N 3.19Å
221	R	55.6	Low	47.5	Very low	141 Å²	141	126.4 Å²	126.4	53%	0.532	62%	0.618	S	S	.	*	H	α-helix	trans	-63.7	-35.7	175.6	-82.3	-178.9	179.3	133.6	0.7	113.2	L217 N218 F223 G225	L217-R221 HydrophobicContact CD2-CG 4.42Å; L217-R221 WeakPolarHBondContact O-CB 3.42Å; L217-R221 WeakPolarHBondContact O-CG 3.44Å; L217-R221 PolarHBondContact O-N 3.48Å; N218-R221 PolarHBondContact O-N 2.93Å; R221-F223 VanDerWaalsContact C-N 3.35Å; R221-G225 PolarHBondContact O-N 2.8Å
222	S	58.1	Low	46.5	Very low	96 Å²	96	130.1 Å²	130.1	67%	0.671	63%	0.632	S	S	*	*	H	α-helix	trans	-72	-29	175.2	67.2	0	0	0	0	112.6	N218 G219 L220	N218-S222 VanDerWaalsContact O-CB 3.24Å; N218-S222 WeakPolarHBondContact O-CB 3.31Å; N218-S222 PolarHBondContact O-N 3.45Å; N218-S222 PolarHBondContact O-OG 3.24Å; G219-S222 PolarHBondContact O-N 3.48Å; G219-S222 PolarHBondContact O-OG 3.34Å; L220-S222 VanDerWaalsContact C-N 3.32Å; L220-S222 PolarHBondContact O-N 3.28Å
223	F	52	Low	45.8	Very low	175 Å²	175	131 Å²	131	77%	0.768	64%	0.642	S	S	*	*	H	α-helix	trans	-73.3	-36.6	173.9	-155.6	-95.5	0	0	0	112.7	G219 L220 R221	G219-F223 WeakPolarHBondContact O-CB 3.2Å; G219-F223 PolarHBondContact O-N 2.78Å; L220-F223 WeakPolarHBondContact O-CB 3.32Å; L220-F223 PolarHBondContact O-N 3.47Å; R221-F223 VanDerWaalsContact C-N 3.35Å
224	F	49.4	Very low	44.8	Very low	140 Å²	140	127 Å²	127	61%	0.614	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	4.3	-177	-72.6	-71.5	0	0	0	115.4	L220 I226	L220-F224 HydrophobicContact CD2-CE2 4.11Å; L220-F224 VanDerWaalsContact O-CD2 3.28Å; L220-F224 WeakPolarHBondContact O-CD2 3.48Å; L220-F224 PolarHBondContact O-N 3.19Å; F224-I226 HydrophobicContact CB-CD1 4.04Å; F224-I226 HydrophobicContact CB-CG1 3.92Å; F224-I226 WeakPolarHBondContact O-CG1 3.46Å; F224-I226 PolarHBondContact O-N 3.05Å
225	G	41.7	Very low	43.9	Very low	61 Å²	61	128.2 Å²	128.2	63%	0.629	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	60.4	20.6	172.9	0	0	0	0	0	115.3	R221 R227	R221-G225 PolarHBondContact O-N 2.8Å; G225-R227 VanDerWaalsContact C-N 3.29Å; G225-R227 PolarHBondContact O-N 2.86Å
226	I	52.2	Low	43.2	Very low	123 Å²	123	132.7 Å²	132.7	63%	0.631	68%	0.681	S	S	*	*			trans	-78.1	80.8	-174.7	-50.1	176.4	0	0	0	109.3	F224	F224-I226 HydrophobicContact CB-CD1 4.04Å; F224-I226 HydrophobicContact CB-CG1 3.92Å; F224-I226 WeakPolarHBondContact O-CG1 3.46Å; F224-I226 PolarHBondContact O-N 3.05Å
227	R	38.5	Very low	42	Very low	232 Å²	232	137.7 Å²	137.7	88%	0.875	70%	0.699	S	S	*	*			trans	-86.4	106.6	159.7	-72.1	-175.5	-174.8	-175.3	2.3	107.3	G225	G225-R227 VanDerWaalsContact C-N 3.29Å; G225-R227 PolarHBondContact O-N 2.86Å
228	R	36	Very low	41	Very low	215 Å²	215	139.3 Å²	139.3	81%	0.811	72%	0.718	S	S	*	*			trans	164.8	145.7	136.9	-94.5	163.2	-173.1	175.1	3.4	114.6
229	F	30.4	Very low	39.9	Very low	191 Å²	191	142.8 Å²	142.8	84%	0.838	73%	0.734	S	S	*	*			trans	65.3	102.5	159.3	-67.8	-70	0	0	0	118.9
230	S	35.8	Very low	39.2	Very low	110 Å²	110	148.3 Å²	148.3	77%	0.769	76%	0.761	S	S	*	*				-163.4	95.2	122.7	-177.8	0	0	0	0	110
231	R	31	Very low	37.9	Very low	225 Å²	225	150.6 Å²	150.6	85%	0.849	77%	0.774	S	S	*	*			trans	-81.8	142.3	146.3	-85.6	-177	-171.8	178.5	1.9	106.1
232	Q	31	Very low	36.7	Very low	173 Å²	173	147.3 Å²	147.3	81%	0.808	78%	0.783	S	S	*	*			trans	58.2	100	156	-65.4	176	-67.3	0	0	116.9
233	I	33.4	Very low	35.6	Very low	160 Å²	160	149.1 Å²	149.1	82%	0.821	79%	0.793	S	S	*	*			trans	-139	94.4	137.4	-56.5	-177.2	0	0	0	107.7
234	S	30.3	Very low	34.4	Very low	116 Å²	116	148.9 Å²	148.9	81%	0.811	79%	0.794	S	S	*	*			trans	-61.9	142.3	152.6	-72.8	0	0	0	0	109.1
235	G	29.1	Very low	33.6	Very low	65 Å²	65	148.2 Å²	148.2	67%	0.67	80%	0.804	S	S	*	*			trans	37.4	114.8	153.3	0	0	0	0	0	118.9
236	Q	37.4	Very low	32.9	Very low	197 Å²	197	154.4 Å²	154.4	92%	0.921	81%	0.813	S	S	*	*				-176.2	118.3	128.3	-99.2	160.6	44	0	0	110.1
237	N	27.8	Very low	31.9	Very low	167 Å²	167	155.6 Å²	155.6	89%	0.893	83%	0.826	S	S	*	*			trans	-58.6	140	161.3	-66.7	-28.3	0	0	0	109.7
238	S	32.5	Very low	31.7	Very low	123 Å²	123	149.5 Å²	149.5	86%	0.86	82%	0.819	S	S	*	*			trans	-165.7	142.7	139.4	-161.9	0	0	0	0	112.5
239	M	29.7	Very low	31.2	Very low	152 Å²	152	145.8 Å²	145.8	75%	0.749	82%	0.815	S	S	*	*			trans	-63.6	152.8	-170.7	-60.2	173.4	124.2	0	0	114.9
240	T	36.1	Very low	31.3	Very low	149 Å²	149	143.8 Å²	143.8	91%	0.914	81%	0.813	S	S	*	*				-156.6	141.5	128.7	42.3	0	0	0	0	110.7
241	N	28.8	Very low	31.2	Very low	152 Å²	152	146 Å²	146	81%	0.813	82%	0.815	S	S	*	*			trans	-93	152.6	-165.3	-66.3	-49	0	0	0	113.9
242	G	30	Very low	31.1	Very low	71 Å²	71	142.8 Å²	142.8	73%	0.732	81%	0.814	S	S	*	*			trans	-174.2	143.8	162	0	0	0	0	0	111.3
243	P	34.6	Very low	30.9	Very low	135 Å²	135	139.9 Å²	139.9	88%	0.877	81%	0.81	S	S	*	*				-95.3	147.8	-125.3	34.4	-35.1	0	0	0	117.6
244	Q	27.1	Very low	30.9	Very low	170 Å²	170	139.7 Å²	139.7	79%	0.794	81%	0.809	S	S	*	*			trans	-84	162.9	173.2	-75.3	-121.3	-16.8	0	0	113.9
245	P	33	Very low	30.9	Very low	125 Å²	125	142.2 Å²	142.2	81%	0.812	81%	0.808	S	S	*	*			trans	-113	131.8	135.3	33.3	-22.5	0	0	0	111.7
246	K	26.1	Very low	31	Very low	191 Å²	191	146.3 Å²	146.3	83%	0.83	81%	0.813	S	S	*	*			trans	-72.7	143.1	-179.3	-62.8	166.9	173.4	177.6	0	112.3
247	V	31.9	Very low	30.7	Very low	148 Å²	148	144 Å²	144	90%	0.897	81%	0.807	S	S	*	*			trans	-144.7	140.4	135.9	-177.6	0	0	0	0	108.4
248	S	33	Very low	30.8	Very low	104 Å²	104	142.5 Å²	142.5	73%	0.727	80%	0.804	S	S	*	*			trans	-88.7	159.9	-158.7	46.6	0	0	0	0	116.5
249	D	27.3	Very low	30.7	Very low	138 Å²	138	141.9 Å²	141.9	74%	0.738	80%	0.797	S	S	*	*			trans	-38.9	148.1	168.9	-50.4	-56.7	0	0	0	116.4
250	N	31.5	Very low	30.8	Very low	149 Å²	149	141.3 Å²	141.3	80%	0.797	80%	0.802	S	S	*	*				171.9	146.2	122	-83.9	-22.9	0	0	0	114.4
251	I	32.8	Very low	30.5	Very low	157 Å²	157	139 Å²	139	81%	0.805	79%	0.792	S	S	*	*			trans	90.8	95.7	159	-52	132.7	0	0	0	116
252	L	30	Very low	30.7	Very low	157 Å²	157	138.5 Å²	138.5	82%	0.822	80%	0.795	S	S	*	*				77.2	130.6	59.8	-122.7	120.1	0	0	0	115.8
253	P	27.3	Very low	30.6	Very low	111 Å²	111	144.6 Å²	144.6	72%	0.721	80%	0.801	S	S	*	*			trans	-91	146	-175.1	36.2	-31.6	0	0	0	112.8
254	I	33.1	Very low	30.4	Very low	156 Å²	156	147.1 Å²	147.1	80%	0.8	80%	0.802	S	S	*	*			trans	-97.7	110.3	-179	-60.4	173.7	0	0	0	110.4	L256	I254-L256 HydrophobicContact CG2-CD1 4.05Å
255	H	29.5	Very low	30.5	Very low	170 Å²	170	147.6 Å²	147.6	79%	0.787	80%	0.801	S	S	*	*			trans	-92.1	130.5	158.9	-106.5	-90.4	0	0	0	108.4
256	L	31.2	Very low	30.1	Very low	150 Å²	150	152.1 Å²	152.1	79%	0.785	80%	0.802	S	S	*	*			trans	-123.7	97.9	168.2	-128.3	79.8	0	0	0	109.8	I254	I254-L256 HydrophobicContact CG2-CD1 4.05Å
257	N	31.2	Very low	30.3	Very low	148 Å²	148	147.8 Å²	147.8	79%	0.791	80%	0.796	S	S	*	*			trans	-110.8	121.5	161.5	-79.5	-11.8	0	0	0	107.8
258	T	29.9	Very low	30	Very low	136 Å²	136	151 Å²	151	83%	0.834	79%	0.791	S	S	*	*			trans	-96.2	128	171	12.6	0	0	0	0	110
259	P	30.1	Very low	29.8	Very low	110 Å²	110	152.1 Å²	152.1	71%	0.714	79%	0.794	S	S	*	*			trans	-106	145.9	166.3	35.8	-26.4	0	0	0	111.1
260	T	31.9	Very low	29.9	Very low	140 Å²	140	150.7 Å²	150.7	86%	0.859	79%	0.792	S	S	*	*			trans	-179.1	109.4	146.4	20.7	0	0	0	0	108.9
261	S	30.7	Very low	29.7	Very low	101 Å²	101	153.1 Å²	153.1	71%	0.706	79%	0.79	S	S	*	*				75.9	103	105.3	168.2	0	0	0	0	115.6
262	T	33	Very low	29.6	Very low	141 Å²	141	151.5 Å²	151.5	87%	0.865	79%	0.792	S	S	*	*				169.7	148.5	111.7	37.6	0	0	0	0	112.2
263	K	27.4	Very low	29.5	Very low	199 Å²	199	152.6 Å²	152.6	87%	0.865	79%	0.787	S	S	*	*			trans	-68.7	143.9	-178	-65.5	165.2	172.9	170.7	0	111.8
264	E	31.2	Very low	29.5	Very low	189 Å²	189	152.8 Å²	152.8	88%	0.883	79%	0.788	S	S	*	*				-177.8	165.9	115.6	-103.9	-170.9	155.9	0	0	115.9
265	K	28.6	Very low	29.4	Very low	180 Å²	180	150.7 Å²	150.7	78%	0.783	79%	0.788	S	S	*	*			trans	-78.7	142.6	-155.9	-81.2	160	171.8	168.7	0	116.8
266	R	25.3	Very low	29.6	Very low	220 Å²	220	147.6 Å²	147.6	83%	0.83	79%	0.785	S	S	*	*				67	118.7	123.6	-162.1	-178	-159.8	168.8	6.3	119.3
267	S	29.1	Very low	29.7	Very low	100 Å²	100	147.2 Å²	147.2	70%	0.699	79%	0.789	S	S	*	*				166.7	132.2	99.5	-129.6	0	0	0	0	115.1
268	R	26.6	Very low	29.6	Very low	214 Å²	214	147.1 Å²	147.1	81%	0.808	79%	0.788	S	S	*	*			trans	29	118.4	139.1	-80.3	-178.3	-169.4	172	2.2	121.7
269	V	29.1	Very low	29.6	Very low	129 Å²	129	152 Å²	152	78%	0.782	79%	0.794	S	S	*	*				84.2	148	88.8	163.2	0	0	0	0	113.2
270	P	29.7	Very low	29.6	Very low	107 Å²	107	151.4 Å²	151.4	70%	0.695	79%	0.791	S	S	*	*			cis	-140.9	166.6	-30.1	37.9	-17.6	0	0	0	116.7
271	R	25.6	Very low	29.6	Very low	201 Å²	201	151.3 Å²	151.3	76%	0.758	79%	0.786	S	S	*	*			trans	40.9	114.1	132.6	-145.3	175.3	-159.4	166.5	1.8	120.4	Y273	R271-Y273 HydrophobicContact CG-CD2 4.43Å; R271-Y273 HydrophobicContact CG-CE2 4.15Å; R271-Y273 PolarHBondContact NH2-OH 3.26Å; R271-Y273 VanDerWaalsContact NH2-OH 3.14Å
272	S	32.3	Very low	29.6	Very low	122 Å²	122	154.1 Å²	154.1	85%	0.853	79%	0.793	S	S	*	*			trans	-144.7	140.6	143.1	53.7	0	0	0	0	110.7
273	Y	26.6	Very low	29.7	Very low	180 Å²	180	152.9 Å²	152.9	71%	0.706	79%	0.785	S	S	*	*			trans	-86.7	163.9	-171.8	-87	-91.9	0	0	0	113	R271	R271-Y273 HydrophobicContact CG-CD2 4.43Å; R271-Y273 HydrophobicContact CG-CE2 4.15Å; R271-Y273 PolarHBondContact NH2-OH 3.26Å; R271-Y273 VanDerWaalsContact NH2-OH 3.14Å
274	P	27.9	Very low	30.1	Very low	115 Å²	115	151.5 Å²	151.5	75%	0.747	78%	0.775	S	S	*	*			trans	-102.3	169.6	-158.3	39.1	-32.6	0	0	0	114.7
275	S	30.7	Very low	30.1	Very low	113 Å²	113	147.8 Å²	147.8	79%	0.79	76%	0.76	S	S	*	*			trans	-125.3	115.6	172.4	-52.8	0	0	0	0	111.8
276	S	33	Very low	30.3	Very low	104 Å²	104	142.2 Å²	142.2	73%	0.727	74%	0.744	S	S	*	*			trans	41.2	114.4	141.9	61.1	0	0	0	0	120.7
277	T	34	Very low	31	Very low	142 Å²	142	139.1 Å²	139.1	87%	0.871	74%	0.741	S	S	*	*				-176.5	104.3	101.7	36.5	0	0	0	0	109.7
278	N	30.1	Very low	31.5	Very low	146 Å²	146	141.5 Å²	141.5	78%	0.781	74%	0.741	S	S	*	*			trans	-98.9	133	172.9	-92.7	-15.5	0	0	0	109.9
279	Y	28.3	Very low	32.1	Very low	240 Å²	240	137.9 Å²	137.9	94%	0.941	73%	0.733	S	S	*	*			trans	-155.9	76.6	148.5	-130.7	-84.1	0	0	0	108.9
280	S	29.9	Very low	32.5	Very low	96 Å²	96	137.7 Å²	137.7	67%	0.671	73%	0.727	S	S	*	*			trans	-157	78.8	174.3	48.1	0	0	0	0	109
281	N	32.8	Very low	32.6	Very low	139 Å²	139	141.4 Å²	141.4	74%	0.743	73%	0.733	S	S	*	*			trans	-138.6	76.2	168.1	-77.8	-15.7	0	0	0	108.1
282	D	30.6	Very low	33	Very low	159 Å²	159	135.1 Å²	135.1	85%	0.85	72%	0.724	S	S	*	*			trans	-95.8	86.5	150.9	-86.8	-24	0	0	0	105.9	R284	D282-R284 VanDerWaalsContact C-N 3.35Å; D282-R284 PolarHBondContact O-N 2.99Å
283	T	34.7	Very low	32.8	Very low	115 Å²	115	136 Å²	136	71%	0.706	72%	0.719	S	S	*	*			trans	-66.3	95.4	172.9	33.2	0	0	0	0	108.8	L285	T283-L285 VanDerWaalsContact C-N 3.29Å; T283-L285 PolarHBondContact O-N 3.49Å
284	R	35.8	Very low	33.1	Very low	170 Å²	170	134.6 Å²	134.6	64%	0.642	73%	0.729	S	S	*	*			trans	-63.8	93	161.5	-175.7	-179.8	171.4	126.1	-2.2	107.7	D282 S286	D282-R284 VanDerWaalsContact C-N 3.35Å; D282-R284 PolarHBondContact O-N 2.99Å; R284-S286 PolarHBondContact O-N 3.24Å; R284-S286 VanDerWaalsContact O-N 3.15Å
285	L	31.9	Very low	33.3	Very low	111 Å²	111	135.7 Å²	135.7	58%	0.581	73%	0.728	S	S	*	*			trans	-49.6	117.6	175	-88.2	126.9	0	0	0	110.5	T283 E289	T283-L285 VanDerWaalsContact C-N 3.29Å; T283-L285 PolarHBondContact O-N 3.49Å; L285-E289 HydrophobicContact CD2-CB 4.05Å
286	S	33	Very low	33.3	Very low	64 Å²	64	138.6 Å²	138.6	45%	0.448	73%	0.734	S	S	.	*			trans	-60.5	141	165.8	36.6	0	0	0	0	109.9	R284 E288 E289	R284-S286 PolarHBondContact O-N 3.24Å; R284-S286 VanDerWaalsContact O-N 3.15Å; S286-E288 PolarHBondContact O-N 3.13Å; S286-E289 PolarHBondContact O-N 3.13Å
287	M	38.8	Very low	33.3	Very low	154 Å²	154	141.9 Å²	141.9	76%	0.759	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.1	-11.6	-178.8	-95	-116.6	-59.9	0	0	114.8
288	E	40.3	Very low	33.2	Very low	150 Å²	150	140.7 Å²	140.7	70%	0.701	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	-16.9	176.7	-85.2	91.3	-176	0	0	115.2	S286	S286-E288 PolarHBondContact O-N 3.13Å
289	E	39.3	Very low	33.3	Very low	138 Å²	138	138.4 Å²	138.4	65%	0.645	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	-1.9	-174.8	-71.7	-172.3	152.2	0	0	115.4	L285 S286	L285-E289 HydrophobicContact CD2-CB 4.05Å; S286-E289 PolarHBondContact O-N 3.13Å
290	L	36.7	Very low	33.3	Very low	125 Å²	125	135 Å²	135	65%	0.654	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	7.5	179.6	-89.2	164.3	0	0	0	114.4
291	F	32.4	Very low	33.4	Very low	185 Å²	185	136.3 Å²	136.3	81%	0.811	74%	0.739	S	S	*	*	S	Bend	trans	-144.6	59.6	-180	-60.1	-79.7	0	0	0	111.2
292	A	33.3	Very low	33.4	Very low	69 Å²	69	135.9 Å²	135.9	57%	0.57	74%	0.742	S	S	*	*	S	Bend	trans	-136.4	110.4	164.9	0	0	0	0	0	108.9
293	D	27.9	Very low	33.4	Very low	142 Å²	142	132.9 Å²	132.9	76%	0.759	74%	0.739	S	S	*	*			trans	55.5	97	144	-44.8	-32.2	0	0	0	118.5
294	V	34.2	Very low	33.4	Very low	149 Å²	149	133.2 Å²	133.2	90%	0.903	74%	0.743	S	S	*	*			trans	-121.7	102.9	148.7	-179.3	0	0	0	0	107.8
295	D	32	Very low	33.3	Very low	138 Å²	138	131.4 Å²	131.4	74%	0.738	75%	0.751	S	S	*	*			trans	-57.6	135.1	178.4	-64.7	-56.5	0	0	0	112.7	E297	D295-E297 PolarHBondContact O-N 2.84Å
296	L	30.9	Very low	33.5	Very low	175 Å²	175	130.4 Å²	130.4	92%	0.916	75%	0.753	S	S	*	*			trans	-90.3	88	168.9	-177.1	77.8	0	0	0	108.2
297	E	33.3	Very low	33.7	Very low	172 Å²	172	136.6 Å²	136.6	80%	0.804	77%	0.772	S	S	*	*			trans	-137.9	118.5	165.4	-80.7	-163.8	120.4	0	0	113.7	D295	D295-E297 PolarHBondContact O-N 2.84Å
298	S	30.1	Very low	33.5	Very low	117 Å²	117	138.4 Å²	138.4	82%	0.818	78%	0.776	S	S	*	*			trans	67.8	110.5	144	82.2	0	0	0	0	119.3
299	A	33.2	Very low	33.2	Very low	99 Å²	99	139.8 Å²	139.8	82%	0.818	78%	0.779	S	S	*	*				173.6	79.7	124.9	0	0	0	0	0	110.9
300	N	27.4	Very low	33	Very low	169 Å²	169	141.2 Å²	141.2	90%	0.904	79%	0.785	S	S	*	*			trans	-79.7	106.2	151.2	-97	-16.9	0	0	0	107.3
301	T	33.4	Very low	33	Very low	123 Å²	123	140.2 Å²	140.2	76%	0.755	79%	0.787	S	S	*	*			trans	-156.3	105.5	154.9	-44.3	0	0	0	0	111.3
302	T	31.3	Very low	33.3	Very low	129 Å²	129	138.1 Å²	138.1	79%	0.791	79%	0.789	S	S	*	*			trans	4.9	131.6	144.2	49.3	0	0	0	0	119.7
303	A	31.8	Very low	33.5	Very low	97 Å²	97	139 Å²	139	80%	0.802	80%	0.796	S	S	*	*				173.3	151.3	107.2	0	0	0	0	0	112.7
304	P	33.6	Very low	33.9	Very low	121 Å²	121	140.7 Å²	140.7	79%	0.786	80%	0.799	S	S	*	*			trans	-99.2	175.7	-165	39.5	-32.6	0	0	0	113.2
305	V	33.8	Very low	34	Very low	133 Å²	133	138 Å²	138	81%	0.806	79%	0.787	S	S	*	*			trans	176.4	119	138.9	149.3	0	0	0	0	114.3
306	S	37.4	Very low	34.4	Very low	90 Å²	90	138.3 Å²	138.3	63%	0.629	79%	0.788	S	S	*	*			trans	69.1	112.5	134.2	-61.5	0	0	0	0	126.5
307	K	35.8	Very low	34.6	Very low	193 Å²	193	138.3 Å²	138.3	84%	0.839	79%	0.789	S	S	*	*				71.3	115.8	115.5	-66.2	176.6	-179.7	172.8	0	122
308	K	36.1	Very low	34.7	Very low	193 Å²	193	134 Å²	134	84%	0.839	79%	0.79	S	S	*	*				172.6	115.3	102.2	-94.7	176.1	178.1	176.2	0	109.6
309	K	33.8	Very low	34.7	Very low	179 Å²	179	136 Å²	136	78%	0.778	79%	0.791	S	S	*	*				61.5	121.2	99.3	-93.5	-174	175.2	-171.2	0	113.3
310	H	35.4	Very low	34.9	Very low	167 Å²	167	136.2 Å²	136.2	77%	0.773	79%	0.787	S	S	*	*				-159.2	162.8	54.1	-104.4	-87	0	0	0	114.4
311	P	36.4	Very low	35.4	Very low	105 Å²	105	133 Å²	133	68%	0.682	78%	0.778	S	S	*	*			trans	-124.3	170.7	-167	41.7	-26.5	0	0	0	116.2
312	V	37.7	Very low	35.3	Very low	141 Å²	141	135.8 Å²	135.8	86%	0.855	78%	0.782	S	S	*	*			trans	-157.2	104.7	152.5	-177.8	0	0	0	0	107.6
313	A	37.2	Very low	35.6	Very low	86 Å²	86	135.5 Å²	135.5	71%	0.711	79%	0.785	S	S	*	*				66.7	127.4	95.6	0	0	0	0	0	113.5
314	E	37.2	Very low	35.9	Very low	178 Å²	178	136.4 Å²	136.4	83%	0.832	79%	0.786	S	S	*	*			cis	-159.3	131.5	43	-78.6	171.9	142.2	0	0	110.2
315	S	35.7	Very low	36	Very low	93 Å²	93	136.2 Å²	136.2	65%	0.65	79%	0.785	S	S	*	*				57.1	125.1	101.2	75.4	0	0	0	0	115.8
316	D	40.1	Very low	36.1	Very low	144 Å²	144	140 Å²	140	77%	0.77	79%	0.79	S	S	*	*				-156	128.4	66.9	-65.4	-34.3	0	0	0	111.5
317	L	34.9	Very low	35.8	Very low	176 Å²	176	142 Å²	142	92%	0.921	80%	0.798	S	S	*	*				76.8	117.4	78.6	-114	108.7	0	0	0	116.8
318	G	37.3	Very low	35.7	Very low	80 Å²	80	139 Å²	139	83%	0.825	79%	0.792	S	S	*	*			trans	169.7	63	171.5	0	0	0	0	0	114.9
319	N	29.5	Very low	35.5	Very low	159 Å²	159	139.8 Å²	139.8	85%	0.85	79%	0.789	S	S	*	*			trans	-67.5	150.5	173	-84.2	-21.4	0	0	0	113.1
320	S	37.2	Very low	35.3	Very low	105 Å²	105	142.8 Å²	142.8	73%	0.734	80%	0.796	S	S	*	*				169.3	122.2	112.6	58.6	0	0	0	0	113.5
321	S	37.1	Very low	35.1	Very low	101 Å²	101	140.6 Å²	140.6	71%	0.706	80%	0.799	S	S	*	*			trans	38.2	147.3	132.8	60.7	0	0	0	0	120.5
322	E	31.4	Very low	35	Very low	182 Å²	182	140 Å²	140	85%	0.85	80%	0.798	S	S	*	*			cis	-177.6	145	-3.3	-114.7	173.3	122.7	0	0	104.1
323	S	38.7	Very low	34.8	Very low	122 Å²	122	140.8 Å²	140.8	85%	0.853	80%	0.796	S	S	*	*			trans	152.2	124.7	140.7	56.3	0	0	0	0	112.8
324	S	38.4	Very low	34.5	Very low	116 Å²	116	143.4 Å²	143.4	81%	0.811	80%	0.798	S	S	*	*			trans	-80	-166.1	-172.8	-51.6	0	0	0	0	113.2
325	P	35.4	Very low	34.3	Very low	117 Å²	117	140.2 Å²	140.2	76%	0.76	80%	0.796	S	S	*	*				-122.6	156.1	-86.9	35	-18	0	0	0	112.5
326	K	35.1	Very low	34.2	Very low	212 Å²	212	142.9 Å²	142.9	92%	0.922	80%	0.803	S	S	*	*			trans	-136.4	98.3	163.4	-99.6	177.4	-178	171.6	0	111.4	N328	K326-N328 PolarHBondContact O-N 2.8Å
327	V	31.9	Very low	34.3	Very low	133 Å²	133	138.8 Å²	138.8	81%	0.806	80%	0.795	S	S	*	*			trans	-58.7	115.7	157.9	173.5	0	0	0	0	107.9
328	N	33.2	Very low	34.5	Very low	131 Å²	131	139 Å²	139	70%	0.701	79%	0.791	S	S	*	*			trans	-175	131.3	142.4	-106.3	-32.1	0	0	0	114.3	K326	K326-N328 PolarHBondContact O-N 2.8Å
329	R	30.9	Very low	35	Very low	209 Å²	209	142.6 Å²	142.6	79%	0.789	79%	0.791	S	S	*	*			trans	92.7	100.3	147.9	-62.9	169.4	-161.8	-173.3	6	119.2
330	R	29.6	Very low	36.3	Very low	241 Å²	241	138.1 Å²	138.1	91%	0.909	77%	0.773	S	S	*	*				57.1	82.5	126.5	-63.1	178.4	-171.3	-179.2	1.2	116	S332	R330-S332 PolarHBondContact O-N 3.45Å
331	S	33	Very low	38.1	Very low	121 Å²	121	137.1 Å²	137.1	85%	0.846	76%	0.759	S	S	*	*			trans	-75.7	100.2	148.4	53.7	0	0	0	0	108.4
332	S	33.9	Very low	40.4	Very low	93 Å²	93	135.4 Å²	135.4	65%	0.65	74%	0.744	S	S	*	*			trans	-51.9	133.7	167.4	41.9	0	0	0	0	111.2	R330 D334	R330-S332 PolarHBondContact O-N 3.45Å; S332-D334 PolarHBondContact O-N 3.49Å
333	L	32.3	Very low	43.1	Very low	158 Å²	158	128.6 Å²	128.6	83%	0.827	71%	0.711	S	S	*	*			trans	-54.6	95.5	163.8	-115.6	89.2	0	0	0	109.4	S335	L333-S335 PolarHBondContact O-N 3.48Å
334	D	32.4	Very low	45.5	Very low	140 Å²	140	125.7 Å²	125.7	75%	0.749	69%	0.69	S	S	*	*			trans	-91	87.6	161.5	-92	-21.5	0	0	0	108	S332 N336	S332-D334 PolarHBondContact O-N 3.49Å; D334-N336 PolarHBondContact O-N 3.1Å
335	S	32.3	Very low	48	Very low	112 Å²	112	120.3 Å²	120.3	78%	0.783	65%	0.652	S	S	*	*			trans	-71.4	63	169.7	-56.6	0	0	0	0	110.6	L333	L333-S335 PolarHBondContact O-N 3.48Å
336	N	33.5	Very low	50.5	Low	148 Å²	148	117.2 Å²	117.2	79%	0.791	63%	0.632	S	S	*	*			trans	-135.6	91.8	-175.7	-149.7	11.1	0	0	0	110.3	D334	D334-N336 PolarHBondContact O-N 3.1Å
337	G	42.2	Very low	52.8	Low	59 Å²	59	110.3 Å²	110.3	61%	0.608	61%	0.605	S	S	*	*	S	Bend	trans	129.8	5.8	146	0	0	0	0	0	120.6
338	Q	39.3	Very low	55.2	Low	179 Å²	179	105.2 Å²	105.2	84%	0.836	58%	0.575	S	S	*	*	S	Bend	trans	-129.2	-20.6	-176.3	-74.2	-173.7	-5.6	0	0	119.6
339	N	46.9	Very low	57.7	Low	156 Å²	156	104.4 Å²	104.4	83%	0.834	57%	0.565	S	S	*	*			trans	-130.8	66.2	-172.6	-78.7	-10.4	0	0	0	115.6
340	S	57.4	Low	60.2	Low	66 Å²	66	96.5 Å²	96.5	46%	0.462	54%	0.54	S	S	.	.			trans	-137.3	82.8	145	63.2	0	0	0	0	108.9	V342 K343	S340-V342 WeakPolarHBondContact CB-O 3.46Å; S340-V342 PolarHBondContact O-N 3.35Å; S340-V342 VanDerWaalsContact O-N 3.13Å; S340-K343 WeakPolarHBondContact OG-CE 3.32Å
341	L	74.5	Confident	63	Low	84 Å²	84	90.2 Å²	90.2	44%	0.44	52%	0.524	S	S	.	.	S	Bend	trans	-53.2	-28.7	168.5	-90.6	92.5	0	0	0	110.2	Q353 K354	L341-Q353 HydrophobicContact CB-CG 4.25Å; L341-Q353 VanDerWaalsContact CD2-NE2 3.25Å; L341-Q353 WeakPolarHBondContact O-CA 3.02Å; L341-Q353 WeakPolarHBondContact O-CG 3.49Å; L341-K354 PolarHBondContact O-N 3.24Å; L341-K354 VanDerWaalsContact O-N 3.13Å
342	V	85.6	Confident	65.5	Low	65 Å²	65	85.7 Å²	85.7	39%	0.394	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132.2	-176.6	-174.1	0	0	0	0	111.5	S340 L351 I352 Q353	S340-V342 WeakPolarHBondContact CB-O 3.46Å; S340-V342 PolarHBondContact O-N 3.35Å; S340-V342 VanDerWaalsContact O-N 3.13Å; V342-L351 HydrophobicContact CG1-CB 3.62Å; V342-L351 HydrophobicContact CG1-CD1 4.41Å; V342-L351 HydrophobicContact CG1-CD2 4.08Å; V342-L351 HydrophobicContact CG1-CG 4.24Å; V342-I352 CarbonylContact C-O 3.52Å; V342-I352 VanDerWaalsContact CA-O 3.31Å; V342-I352 WeakPolarHBondContact CA-O 3.32Å; V342-Q353 HydrophobicContact CG2-CB 4.29Å; V342-Q353 HydrophobicContact CG2-CG 4.49Å
343	K	88.8	Confident	68.1	Low	39 Å²	39	86.8 Å²	86.8	17%	0.17	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	145.7	172.4	-65.8	179.1	-178.3	164.5	0	110.7	S340 I352 W374 L377	S340-K343 WeakPolarHBondContact OG-CE 3.32Å; K343-I352 PolarHBondContact N-O 3.16Å; K343-I352 PolarHBondContact O-N 3.19Å; K343-W374 HydrophobicContact CB-CE3 4.41Å; K343-W374 HydrophobicContact CB-CH2 3.8Å; K343-W374 HydrophobicContact CB-CZ2 4.44Å; K343-W374 HydrophobicContact CB-CZ3 3.79Å; K343-W374 HydrophobicContact CD-CD2 3.96Å; K343-W374 HydrophobicContact CD-CE3 4.03Å; K343-W374 HydrophobicContact CD-CH2 3.92Å; K343-W374 HydrophobicContact CD-CZ2 3.75Å; K343-W374 HydrophobicContact CD-CZ3 4.06Å; K343-W374 HydrophobicContact CG-CH2 3.77Å; K343-W374 HydrophobicContact CG-CZ2 3.91Å; K343-W374 HydrophobicContact CG-CZ3 4.14Å; K343-W374 PolarHBondContact NZ-O 3.42Å; K343-L377 HydrophobicContact CB-CD2 4.24Å; K343-L377 HydrophobicContact CD-CD2 4.14Å
344	P	89	Confident	70.5	Confident	61 Å²	61	80.1 Å²	80.1	40%	0.396	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	143.6	176.2	30.3	-34.1	0	0	0	111.7	T350 L351	P344-T350 CarbonylContact C-O 3.57Å; P344-T350 WeakPolarHBondContact CA-O 3.49Å; P344-L351 HydrophobicContact CB-CD2 4.25Å
345	C	90	Very high	72.8	Confident	2 Å²	2	79.2 Å²	79.2	1%	0.014	44%	0.444	C	S	.	.			trans	-59.9	132.4	169.1	179.5	0	0	0	0	110.1	N347 C348 K349 T350 I352 C365	C345-N347 PolarHBondContact O-N 3.34Å; C345-N347 PolarHBondContact SG-N 3.11Å; C345-C348 WeakPolarHBondContact CB-SG 3.32Å; C345-C348 VanDerWaalsContact SG-SG 3.62Å; C345-K349 WeakPolarHBondContact O-CA 3.11Å; C345-K349 PolarHBondContact O-N 3Å; C345-T350 PolarHBondContact N-O 3.2Å; C345-I352 HydrophobicContact CB-CD1 3.78Å; C345-C365 HydrophobicContact CB-CB 4.37Å
346	P	88.8	Confident	74.8	Confident	53 Å²	53	79.4 Å²	79.4	34%	0.344	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-22.4	179.5	26.1	-36	0	0	0	114.1	Y370 F372 L377	P346-Y370 HydrophobicContact CB-CE1 4.35Å; P346-Y370 HydrophobicContact CG-CD1 3.65Å; P346-Y370 HydrophobicContact CG-CE1 3.49Å; P346-Y370 VanDerWaalsContact CG-CE1 3.49Å; P346-F372 HydrophobicContact CG-CB 3.83Å; P346-F372 HydrophobicContact CG-CD1 4.37Å; P346-F372 HydrophobicContact CG-CD2 4.32Å; P346-F372 HydrophobicContact CG-CG 3.92Å; P346-L377 HydrophobicContact CB-CB 4.44Å; P346-L377 WeakPolarHBondContact CB-O 3.18Å
347	N	84.2	Confident	77.1	Confident	66 Å²	66	78.2 Å²	78.2	35%	0.353	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-67.6	178	-171.5	26.5	0	0	0	112	S140 C345 Y370	S140-N347 PolarHBondContact O-ND2 3.12Å; C345-N347 PolarHBondContact O-N 3.34Å; C345-N347 PolarHBondContact SG-N 3.11Å; N347-Y370 HydrophobicContact CB-CD1 4.13Å; N347-Y370 HydrophobicContact CB-CD2 4.17Å; N347-Y370 HydrophobicContact CB-CG 3.8Å
348	C	82.5	Confident	78.8	Confident	26 Å²	26	78.3 Å²	78.3	18%	0.176	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-8.1	-174.2	66.2	0	0	0	0	114.7	C345 T350 C368	C345-C348 WeakPolarHBondContact CB-SG 3.32Å; C345-C348 VanDerWaalsContact SG-SG 3.62Å; C348-T350 PolarHBondContact O-N 2.79Å; C348-T350 PolarHBondContact SG-OG1 3.23Å; C348-C368 HydrophobicContact CB-CB 3.9Å
349	K	84.1	Confident	80.8	Confident	114 Å²	114	71.7 Å²	71.7	50%	0.496	40%	0.404	S	S	.	.			trans	64.3	6.5	-176.5	-52.7	-176.3	179.4	-171.4	0	116.2	C345 L351	C345-K349 WeakPolarHBondContact O-CA 3.11Å; C345-K349 PolarHBondContact O-N 3Å; K349-L351 PolarHBondContact O-N 2.93Å
350	T	83.3	Confident	82.8	Confident	43 Å²	43	66.6 Å²	66.6	26%	0.264	38%	0.38	S	S	.	.			trans	-61.6	136.9	172.6	-48.4	0	0	0	0	110.7	P344 C345 C348 I352 I367	P344-T350 CarbonylContact C-O 3.57Å; P344-T350 WeakPolarHBondContact CA-O 3.49Å; C345-T350 PolarHBondContact N-O 3.2Å; C348-T350 PolarHBondContact O-N 2.79Å; C348-T350 PolarHBondContact SG-OG1 3.23Å; T350-I352 PolarHBondContact O-N 3.11Å; T350-I367 HydrophobicContact CG2-CD1 3.21Å; T350-I367 VanDerWaalsContact OG1-CD1 3.28Å; T350-I367 WeakPolarHBondContact OG1-CD1 3.4Å
351	L	88.4	Confident	84.3	Confident	109 Å²	109	63.5 Å²	63.5	57%	0.571	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	124.9	175.7	-63.1	179.4	0	0	0	110.6	V342 P344 K349	V342-L351 HydrophobicContact CG1-CB 3.62Å; V342-L351 HydrophobicContact CG1-CD1 4.41Å; V342-L351 HydrophobicContact CG1-CD2 4.08Å; V342-L351 HydrophobicContact CG1-CG 4.24Å; P344-L351 HydrophobicContact CB-CD2 4.25Å; K349-L351 PolarHBondContact O-N 2.93Å
352	I	86.8	Confident	85	Confident	27 Å²	27	61.9 Å²	61.9	14%	0.138	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132.5	-179	-62.6	168.6	0	0	0	108.1	V342 K343 C345 T350 C365 F372 W374	V342-I352 CarbonylContact C-O 3.52Å; V342-I352 VanDerWaalsContact CA-O 3.31Å; V342-I352 WeakPolarHBondContact CA-O 3.32Å; K343-I352 PolarHBondContact N-O 3.16Å; K343-I352 PolarHBondContact O-N 3.19Å; C345-I352 HydrophobicContact CB-CD1 3.78Å; T350-I352 PolarHBondContact O-N 3.11Å; I352-C365 HydrophobicContact CD1-CB 3.91Å; I352-F372 HydrophobicContact CD1-CE1 3.72Å; I352-F372 HydrophobicContact CD1-CZ 3.62Å; I352-W374 HydrophobicContact CB-CZ3 4.42Å; I352-W374 HydrophobicContact CG2-CZ3 4.16Å; I352-W374 VanDerWaalsContact O-CH2 3.32Å; I352-W374 WeakPolarHBondContact O-CH2 3.21Å
353	Q	87	Confident	85.1	Confident	115 Å²	115	59.9 Å²	59.9	54%	0.537	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	132.5	173.1	-176.4	172.5	0.5	0	0	111.1	L341 V342	L341-Q353 HydrophobicContact CB-CG 4.25Å; L341-Q353 VanDerWaalsContact CD2-NE2 3.25Å; L341-Q353 WeakPolarHBondContact O-CA 3.02Å; L341-Q353 WeakPolarHBondContact O-CG 3.49Å; V342-Q353 HydrophobicContact CG2-CB 4.29Å; V342-Q353 HydrophobicContact CG2-CG 4.49Å
354	K	83.7	Confident	85.1	Confident	19 Å²	19	61.5 Å²	61.5	8%	0.083	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-87.6	126.4	171.1	-173.5	173.6	-162.6	-167.1	0	110.6	L341 S359 C360 N361 M363 W374	L341-K354 PolarHBondContact O-N 3.24Å; L341-K354 VanDerWaalsContact O-N 3.13Å; K354-S359 WeakPolarHBondContact CE-OG 3.41Å; K354-S359 PolarHBondContact NZ-O 3.03Å; K354-C360 PolarHBondContact NZ-O 3.35Å; K354-N361 PolarHBondContact NZ-OD1 3.13Å; K354-M363 HydrophobicContact CB-CE 3.57Å; K354-M363 HydrophobicContact CD-CE 3.2Å; K354-M363 VanDerWaalsContact CE-CE 3.41Å; K354-M363 HydrophobicContact CG-CE 3.21Å; K354-W374 HydrophobicContact CB-CD2 3.98Å; K354-W374 VanDerWaalsContact CB-CE2 3.48Å; K354-W374 HydrophobicContact CB-CE3 4.33Å; K354-W374 HydrophobicContact CB-CH2 3.71Å; K354-W374 HydrophobicContact CB-CZ2 3.36Å; K354-W374 HydrophobicContact CB-CZ3 4.19Å; K354-W374 HydrophobicContact CD-CD2 4.15Å; K354-W374 HydrophobicContact CD-CG 3.9Å
355	L	81.4	Confident	85.1	Confident	120 Å²	120	58.7 Å²	58.7	63%	0.628	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-74.6	130.1	164.7	-60.2	177.5	0	0	0	109.4	D357 S359	L355-D357 PolarHBondContact O-N 3.14Å; L355-D357 VanDerWaalsContact O-OD1 3.04Å; L355-S359 PolarHBondContact O-OG 2.98Å
356	N	73.8	Confident	84.8	Confident	117 Å²	117	61.4 Å²	61.4	63%	0.626	36%	0.355	S	S	*	.			trans	-87.2	30.6	-175	-71	-47.6	0	0	0	113.5	G358	N356-G358 PolarHBondContact O-N 2.79Å; N356-G358 VanDerWaalsContact O-N 3.15Å
357	D	80.9	Confident	84.5	Confident	122 Å²	122	60.1 Å²	60.1	65%	0.652	35%	0.345	S	S	*	.	S	Bend	trans	-73.5	5.1	-177.3	62.7	-18.4	0	0	0	114.7	L355 S359	L355-D357 PolarHBondContact O-N 3.14Å; L355-D357 VanDerWaalsContact O-OD1 3.04Å; D357-S359 WeakPolarHBondContact OD1-CB 3.47Å; D357-S359 PolarHBondContact OD1-N 3.19Å; D357-S359 PolarHBondContact OD1-OG 3.48Å
358	G	78.4	Confident	84.5	Confident	61 Å²	61	57.1 Å²	57.1	63%	0.629	33%	0.329	S	S	*	.	S	Bend	trans	89.1	11	-170.7	0	0	0	0	0	113.5	N356	N356-G358 PolarHBondContact O-N 2.79Å; N356-G358 VanDerWaalsContact O-N 3.15Å
359	S	81.4	Confident	84.6	Confident	41 Å²	41	58.3 Å²	58.3	29%	0.287	33%	0.334	S	S	.	.			trans	-56.9	148.2	174.4	52	0	0	0	0	113.9	K354 L355 D357	K354-S359 WeakPolarHBondContact CE-OG 3.41Å; K354-S359 PolarHBondContact NZ-O 3.03Å; L355-S359 PolarHBondContact O-OG 2.98Å; D357-S359 WeakPolarHBondContact OD1-CB 3.47Å; D357-S359 PolarHBondContact OD1-N 3.19Å; D357-S359 PolarHBondContact OD1-OG 3.48Å
360	C	88.3	Confident	84.8	Confident	49 Å²	49	55.5 Å²	55.5	33%	0.331	32%	0.32	S	S	.	.			trans	-55	153.6	176.2	-172.2	0	0	0	0	111.7	K354 S362 V393	K354-C360 PolarHBondContact NZ-O 3.35Å; C360-S362 PolarHBondContact O-N 2.79Å; C360-S362 PolarHBondContact SG-N 3.08Å; C360-S362 VanDerWaalsContact SG-N 3.37Å; C360-V393 VanDerWaalsContact SG-CG1 3.54Å
361	N	88.5	Confident	85.1	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	33%	0.331	C	S	.	.	S	Bend	trans	-78.5	-6.1	172.3	-71.1	-35.7	0	0	0	113.6	K354 M363 C373 W374 L375 Y385 T392 V393 G395	K354-N361 PolarHBondContact NZ-OD1 3.13Å; N361-M363 PolarHBondContact O-N 2.84Å; N361-C373 CarbonylContact O-C 3.51Å; N361-C373 WeakPolarHBondContact O-CA 3.25Å; N361-W374 PolarHBondContact O-N 3.22Å; N361-L375 HydrophobicContact CB-CG 4.32Å; N361-L375 WeakPolarHBondContact ND2-CD1 3.33Å; N361-Y385 VanDerWaalsContact C-OH 3.31Å; N361-Y385 HydrophobicContact CB-CE1 4.5Å; N361-T392 PolarHBondContact ND2-O 3.33Å; N361-V393 PolarHBondContact N-O 3.22Å; N361-G395 PolarHBondContact ND2-O 3.47Å; N361-G395 PolarHBondContact OD1-O 2.77Å
362	S	89.5	Confident	85.3	Confident	50 Å²	50	53.2 Å²	53.2	35%	0.35	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	110.5	172.7	-161.3	0	0	0	0	108.4	C360 Y385	C360-S362 PolarHBondContact O-N 2.79Å; C360-S362 PolarHBondContact SG-N 3.08Å; C360-S362 VanDerWaalsContact SG-N 3.37Å; S362-Y385 WeakPolarHBondContact CA-OH 3.22Å; S362-Y385 WeakPolarHBondContact CB-OH 3.34Å; S362-Y385 PolarHBondContact N-OH 2.83Å
363	M	88.5	Confident	85.5	Confident	23 Å²	23	51.9 Å²	51.9	11%	0.113	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	148.8	-177	-68.7	-168.4	176.1	0	0	111.2	K354 N361 E371 F372 W374	K354-M363 HydrophobicContact CB-CE 3.57Å; K354-M363 HydrophobicContact CD-CE 3.2Å; K354-M363 VanDerWaalsContact CE-CE 3.41Å; K354-M363 HydrophobicContact CG-CE 3.21Å; N361-M363 PolarHBondContact O-N 2.84Å; M363-E371 CarbonylContact O-C 3.54Å; M363-E371 WeakPolarHBondContact O-CA 3.46Å; M363-F372 HydrophobicContact CB-CD1 4.4Å; M363-F372 HydrophobicContact CB-CE1 3.94Å; M363-F372 HydrophobicContact CB-CE2 4.18Å; M363-F372 HydrophobicContact CB-CZ 3.81Å; M363-F372 PolarHBondContact N-O 3.26Å; M363-F372 PolarHBondContact O-N 3.49Å; M363-F372 HydrophobicContact SD-CE2 4.36Å; M363-F372 HydrophobicContact SD-CZ 4.2Å; M363-W374 HydrophobicContact CE-CB 3.6Å; M363-W374 HydrophobicContact CE-CD2 3.51Å; M363-W374 HydrophobicContact CE-CE3 3.56Å; M363-W374 HydrophobicContact CE-CG 3.56Å; M363-W374 HydrophobicContact CE-CZ3 4.3Å; M363-W374 HydrophobicContact CG-CB 4.24Å; M363-W374 HydrophobicContact SD-CB 3.8Å; M363-W374 HydrophobicContact SD-CD2 3.7Å; M363-W374 HydrophobicContact SD-CE3 3.14Å; M363-W374 HydrophobicContact SD-CG 4.02Å; M363-W374 HydrophobicContact SD-CZ3 3.85Å
364	V	89.2	Confident	85.6	Confident	74 Å²	74	47.3 Å²	47.3	45%	0.448	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.7	171.9	-173	0	0	0	0	107.5	S366 N369 Y370 E371	V364-S366 PolarHBondContact O-N 2.82Å; V364-N369 HydrophobicContact CG1-CB 4.39Å; V364-Y370 WeakPolarHBondContact CA-O 3.18Å; V364-E371 HydrophobicContact CG2-CG 4.02Å
365	C	88.1	Confident	85.7	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.007	28%	0.275	C	S	.	.			trans	-69.4	125.4	174.6	177.6	0	0	0	0	110	C345 I352 I367 C368 N369 Y370 F372	C345-C365 HydrophobicContact CB-CB 4.37Å; I352-C365 HydrophobicContact CD1-CB 3.91Å; C365-I367 PolarHBondContact O-N 3.02Å; C365-I367 VanDerWaalsContact O-N 3.16Å; C365-I367 PolarHBondContact SG-N 3.12Å; C365-C368 VanDerWaalsContact CB-SG 3.57Å; C365-C368 VanDerWaalsContact SG-SG 3.62Å; C365-N369 WeakPolarHBondContact O-CA 3.21Å; C365-N369 PolarHBondContact O-N 2.72Å; C365-N369 PolarHBondContact O-OD1 3.41Å; C365-Y370 PolarHBondContact N-O 3.29Å; C365-F372 HydrophobicContact CB-CE1 4.29Å
366	S	84.4	Confident	86	Confident	60 Å²	60	42 Å²	42	42%	0.42	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-19	178.8	52.5	0	0	0	0	114.5	A84 V364	A84-S366 WeakPolarHBondContact CB-O 3.37Å; V364-S366 PolarHBondContact O-N 2.82Å
367	I	82.3	Confident	86.7	Confident	25 Å²	25	39.2 Å²	39.2	13%	0.128	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-54.1	-178.4	-66.9	163	0	0	0	111.4	F133 Q136 Q137 T350 C365	F133-I367 HydrophobicContact CE2-CG1 4.45Å; Q136-I367 HydrophobicContact CG-CG2 4.16Å; Q137-I367 WeakPolarHBondContact CB-O 3.36Å; Q137-I367 VanDerWaalsContact CG-O 3.25Å; Q137-I367 WeakPolarHBondContact CG-O 3.48Å; T350-I367 HydrophobicContact CG2-CD1 3.21Å; T350-I367 VanDerWaalsContact OG1-CD1 3.28Å; T350-I367 WeakPolarHBondContact OG1-CD1 3.4Å; C365-I367 PolarHBondContact O-N 3.02Å; C365-I367 VanDerWaalsContact O-N 3.16Å; C365-I367 PolarHBondContact SG-N 3.12Å
368	C	83.8	Confident	86.9	Confident	4 Å²	4	36.8 Å²	36.8	3%	0.027	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-7.1	-175.9	66.9	0	0	0	0	114.1	S140 C348 C365 Y370	S140-C368 WeakPolarHBondContact OG-CA 3.46Å; S140-C368 WeakPolarHBondContact OG-CB 3.23Å; C348-C368 HydrophobicContact CB-CB 3.9Å; C365-C368 VanDerWaalsContact CB-SG 3.57Å; C365-C368 VanDerWaalsContact SG-SG 3.62Å; C368-Y370 PolarHBondContact O-N 3.01Å; C368-Y370 WeakPolarHBondContact SG-CB 3.29Å
369	N	84.9	Confident	87.4	Confident	51 Å²	51	39 Å²	39	27%	0.273	21%	0.209	S	C	.	.			trans	56.9	26.7	-174.2	-68.3	-45.9	0	0	0	114.1	Q137 V364 C365	Q137-N369 PolarHBondContact NE2-ND2 2.84Å; V364-N369 HydrophobicContact CG1-CB 4.39Å; C365-N369 WeakPolarHBondContact O-CA 3.21Å; C365-N369 PolarHBondContact O-N 2.72Å; C365-N369 PolarHBondContact O-OD1 3.41Å
370	Y	87.3	Confident	87.6	Confident	54 Å²	54	37.5 Å²	37.5	21%	0.212	20%	0.198	C	C	.	.			trans	-75.7	126.9	173.3	-171.7	-107.3	0	0	0	110.3	P346 N347 V364 C365 C368 F372 E379	P346-Y370 HydrophobicContact CB-CE1 4.35Å; P346-Y370 HydrophobicContact CG-CD1 3.65Å; P346-Y370 HydrophobicContact CG-CE1 3.49Å; P346-Y370 VanDerWaalsContact CG-CE1 3.49Å; N347-Y370 HydrophobicContact CB-CD1 4.13Å; N347-Y370 HydrophobicContact CB-CD2 4.17Å; N347-Y370 HydrophobicContact CB-CG 3.8Å; V364-Y370 WeakPolarHBondContact CA-O 3.18Å; C365-Y370 PolarHBondContact N-O 3.29Å; C368-Y370 PolarHBondContact O-N 3.01Å; C368-Y370 WeakPolarHBondContact SG-CB 3.29Å; Y370-F372 HydrophobicContact CD1-CB 3.87Å; Y370-F372 HydrophobicContact CD1-CD1 4.24Å; Y370-F372 HydrophobicContact CD1-CG 4.45Å; Y370-F372 HydrophobicContact CE1-CB 3.83Å; Y370-F372 WeakPolarHBondContact O-CD1 3.41Å; Y370-E379 HydrophobicContact CE1-CG 4.48Å; Y370-E379 HydrophobicContact CE2-CG 3.88Å; Y370-E379 WeakPolarHBondContact OH-CA 3.42Å; Y370-E379 WeakPolarHBondContact OH-CB 3.48Å; Y370-E379 VanDerWaalsContact OH-CG 3.32Å; Y370-E379 WeakPolarHBondContact OH-CG 3.37Å; Y370-E379 PolarHBondContact OH-N 3.39Å; Y370-E379 PolarHBondContact OH-OE2 3.11Å
371	E	91	Very high	87.4	Confident	104 Å²	104	38.4 Å²	38.4	49%	0.486	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	121.2	175.9	-50.6	-166.1	163.7	0	0	110.3	M363 V364 E379 T380	M363-E371 CarbonylContact O-C 3.54Å; M363-E371 WeakPolarHBondContact O-CA 3.46Å; V364-E371 HydrophobicContact CG2-CG 4.02Å; E371-E379 WeakPolarHBondContact O-CA 3.36Å; E371-T380 WeakPolarHBondContact CB-OG1 3.46Å; E371-T380 PolarHBondContact O-N 2.9Å; E371-T380 VanDerWaalsContact O-N 3.16Å; E371-T380 PolarHBondContact O-OG1 3.39Å
372	F	91.4	Very high	87	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	160.5	-177.2	70.7	-83	0	0	0	113.2	P346 I352 M363 C365 Y370 W374 L377 R378 T380	P346-F372 HydrophobicContact CG-CB 3.83Å; P346-F372 HydrophobicContact CG-CD1 4.37Å; P346-F372 HydrophobicContact CG-CD2 4.32Å; P346-F372 HydrophobicContact CG-CG 3.92Å; I352-F372 HydrophobicContact CD1-CE1 3.72Å; I352-F372 HydrophobicContact CD1-CZ 3.62Å; M363-F372 HydrophobicContact CB-CD1 4.4Å; M363-F372 HydrophobicContact CB-CE1 3.94Å; M363-F372 HydrophobicContact CB-CE2 4.18Å; M363-F372 HydrophobicContact CB-CZ 3.81Å; M363-F372 PolarHBondContact N-O 3.26Å; M363-F372 PolarHBondContact O-N 3.49Å; M363-F372 HydrophobicContact SD-CE2 4.36Å; M363-F372 HydrophobicContact SD-CZ 4.2Å; C365-F372 HydrophobicContact CB-CE1 4.29Å; Y370-F372 HydrophobicContact CD1-CB 3.87Å; Y370-F372 HydrophobicContact CD1-CD1 4.24Å; Y370-F372 HydrophobicContact CD1-CG 4.45Å; Y370-F372 HydrophobicContact CE1-CB 3.83Å; Y370-F372 WeakPolarHBondContact O-CD1 3.41Å; F372-W374 HydrophobicContact CE2-CE3 4.26Å; F372-L377 HydrophobicContact CD2-CD2 3.98Å; F372-L377 HydrophobicContact CE2-CD2 3.79Å; F372-R378 CarbonylContact C-O 3.59Å; F372-R378 WeakPolarHBondContact CA-O 3.16Å; F372-R378 WeakPolarHBondContact CB-O 3.44Å; F372-T380 PolarHBondContact N-OG1 3.34Å
373	C	90.8	Very high	86.6	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	120	178.6	174.7	0	0	0	0	109.5	N361 L375 C376 L377 R378 T380 H384	N361-C373 CarbonylContact O-C 3.51Å; N361-C373 WeakPolarHBondContact O-CA 3.25Å; C373-L375 PolarHBondContact O-N 3.16Å; C373-L375 VanDerWaalsContact O-N 3.12Å; C373-C376 VanDerWaalsContact CB-SG 3.6Å; C373-C376 PolarHBondContact O-N 3.41Å; C373-L377 WeakPolarHBondContact O-CA 3.45Å; C373-L377 PolarHBondContact O-N 3.04Å; C373-R378 PolarHBondContact N-O 3.36Å; C373-T380 HydrophobicContact CB-CG2 3.63Å; C373-T380 VanDerWaalsContact N-CG2 3.29Å; C373-H384 WeakPolarHBondContact CB-NE2 3.4Å; C373-H384 PolarHBondContact SG-NE2 3.35Å
374	W	89.1	Confident	86.5	Confident	18 Å²	18	43.4 Å²	43.4	7%	0.068	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-33.5	179.2	-179.6	-109.8	0	0	0	113.8	K343 I352 K354 N361 M363 F372	K343-W374 HydrophobicContact CB-CE3 4.41Å; K343-W374 HydrophobicContact CB-CH2 3.8Å; K343-W374 HydrophobicContact CB-CZ2 4.44Å; K343-W374 HydrophobicContact CB-CZ3 3.79Å; K343-W374 HydrophobicContact CD-CD2 3.96Å; K343-W374 HydrophobicContact CD-CE3 4.03Å; K343-W374 HydrophobicContact CD-CH2 3.92Å; K343-W374 HydrophobicContact CD-CZ2 3.75Å; K343-W374 HydrophobicContact CD-CZ3 4.06Å; K343-W374 HydrophobicContact CG-CH2 3.77Å; K343-W374 HydrophobicContact CG-CZ2 3.91Å; K343-W374 HydrophobicContact CG-CZ3 4.14Å; K343-W374 PolarHBondContact NZ-O 3.42Å; I352-W374 HydrophobicContact CB-CZ3 4.42Å; I352-W374 HydrophobicContact CG2-CZ3 4.16Å; I352-W374 VanDerWaalsContact O-CH2 3.32Å; I352-W374 WeakPolarHBondContact O-CH2 3.21Å; K354-W374 HydrophobicContact CB-CD2 3.98Å; K354-W374 VanDerWaalsContact CB-CE2 3.48Å; K354-W374 HydrophobicContact CB-CE3 4.33Å; K354-W374 HydrophobicContact CB-CH2 3.71Å; K354-W374 HydrophobicContact CB-CZ2 3.36Å; K354-W374 HydrophobicContact CB-CZ3 4.19Å; K354-W374 HydrophobicContact CD-CD2 4.15Å; K354-W374 HydrophobicContact CD-CG 3.9Å; N361-W374 PolarHBondContact O-N 3.22Å; M363-W374 HydrophobicContact CE-CB 3.6Å; M363-W374 HydrophobicContact CE-CD2 3.51Å; M363-W374 HydrophobicContact CE-CE3 3.56Å; M363-W374 HydrophobicContact CE-CG 3.56Å; M363-W374 HydrophobicContact CE-CZ3 4.3Å; M363-W374 HydrophobicContact CG-CB 4.24Å; M363-W374 HydrophobicContact SD-CB 3.8Å; M363-W374 HydrophobicContact SD-CD2 3.7Å; M363-W374 HydrophobicContact SD-CE3 3.14Å; M363-W374 HydrophobicContact SD-CG 4.02Å; M363-W374 HydrophobicContact SD-CZ3 3.85Å; F372-W374 HydrophobicContact CE2-CE3 4.26Å
375	L	87.6	Confident	86.2	Confident	17 Å²	17	42.4 Å²	42.4	9%	0.089	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-30.9	-179.2	-60.8	-179.1	0	0	0	112	N361 C373 C391 R396 R398	N361-L375 HydrophobicContact CB-CG 4.32Å; N361-L375 WeakPolarHBondContact ND2-CD1 3.33Å; C373-L375 PolarHBondContact O-N 3.16Å; C373-L375 VanDerWaalsContact O-N 3.12Å; L375-C391 HydrophobicContact CD1-CB 4.3Å; L375-R396 WeakPolarHBondContact CD2-O 2.99Å; L375-R398 HydrophobicContact CB-CG 3.74Å; L375-R398 HydrophobicContact CD1-CG 4.19Å; L375-R398 HydrophobicContact CG-CG 4.5Å; L375-R398 VanDerWaalsContact O-CZ 3.3Å; L375-R398 PolarHBondContact O-NE 3.18Å; L375-R398 PolarHBondContact O-NH2 3.26Å
376	C	86.5	Confident	85.7	Confident	10 Å²	10	47 Å²	47	7%	0.068	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.6	-3.9	-173.8	78.6	0	0	0	0	119.1	C373 R378 H384	C373-C376 VanDerWaalsContact CB-SG 3.6Å; C373-C376 PolarHBondContact O-N 3.41Å; C376-R378 PolarHBondContact O-N 2.72Å; C376-H384 PolarHBondContact SG-CE1 3.37Å; C376-H384 PolarHBondContact SG-NE2 2.96Å
377	L	88	Confident	85.1	Confident	59 Å²	59	45.9 Å²	45.9	31%	0.309	24%	0.243	S	C	.	.			trans	52.7	34.5	179.7	-54.2	177.1	0	0	0	112	K343 P346 F372 C373	K343-L377 HydrophobicContact CB-CD2 4.24Å; K343-L377 HydrophobicContact CD-CD2 4.14Å; P346-L377 HydrophobicContact CB-CB 4.44Å; P346-L377 WeakPolarHBondContact CB-O 3.18Å; F372-L377 HydrophobicContact CD2-CD2 3.98Å; F372-L377 HydrophobicContact CE2-CD2 3.79Å; C373-L377 WeakPolarHBondContact O-CA 3.45Å; C373-L377 PolarHBondContact O-N 3.04Å
378	R	86	Confident	84.6	Confident	71 Å²	71	46.8 Å²	46.8	27%	0.268	25%	0.246	S	C	.	.	S	Bend	trans	-118.3	159.7	172.4	-60.1	-178.1	-168.3	135.4	9.1	109.7	F372 C373 C376 T380	F372-R378 CarbonylContact C-O 3.59Å; F372-R378 WeakPolarHBondContact CA-O 3.16Å; F372-R378 WeakPolarHBondContact CB-O 3.44Å; C373-R378 PolarHBondContact N-O 3.36Å; C376-R378 PolarHBondContact O-N 2.72Å; R378-T380 PolarHBondContact O-N 2.87Å
379	E	88.5	Confident	84	Confident	107 Å²	107	47.3 Å²	47.3	50%	0.5	25%	0.25	S	C	.	.	B	Isolated β-bridge	trans	-50	132.7	175.4	-144.6	161.4	145	0	0	112.8	Y370 E371 T381 H384	Y370-E379 HydrophobicContact CE1-CG 4.48Å; Y370-E379 HydrophobicContact CE2-CG 3.88Å; Y370-E379 WeakPolarHBondContact OH-CA 3.42Å; Y370-E379 WeakPolarHBondContact OH-CB 3.48Å; Y370-E379 VanDerWaalsContact OH-CG 3.32Å; Y370-E379 WeakPolarHBondContact OH-CG 3.37Å; Y370-E379 PolarHBondContact OH-N 3.39Å; Y370-E379 PolarHBondContact OH-OE2 3.11Å; E371-E379 WeakPolarHBondContact O-CA 3.36Å; E379-T381 PolarHBondContact O-N 3.39Å; E379-H384 PolarHBondContact O-ND1 3.29Å
380	T	86.6	Confident	83.6	Confident	11 Å²	11	45.1 Å²	45.1	7%	0.067	24%	0.24	C	C	.	.			trans	-88.5	89.8	171.6	38.5	0	0	0	0	109.8	E371 F372 C373 R378 Y385	E371-T380 WeakPolarHBondContact CB-OG1 3.46Å; E371-T380 PolarHBondContact O-N 2.9Å; E371-T380 VanDerWaalsContact O-N 3.16Å; E371-T380 PolarHBondContact O-OG1 3.39Å; F372-T380 PolarHBondContact N-OG1 3.34Å; C373-T380 HydrophobicContact CB-CG2 3.63Å; C373-T380 VanDerWaalsContact N-CG2 3.29Å; R378-T380 PolarHBondContact O-N 2.87Å; T380-Y385 HydrophobicContact CG2-CE2 4.23Å; T380-Y385 WeakPolarHBondContact CG2-OH 3.38Å
381	T	83.7	Confident	83.5	Confident	68 Å²	68	42.9 Å²	42.9	42%	0.417	23%	0.231	S	C	.	.			trans	-78.9	160.6	162.8	61.2	0	0	0	0	110.1	E379 T383 H384	E379-T381 PolarHBondContact O-N 3.39Å; T381-T383 PolarHBondContact O-N 3.46Å; T381-T383 PolarHBondContact OG1-OG1 2.88Å; T381-H384 WeakPolarHBondContact O-CB 3.3Å; T381-H384 PolarHBondContact O-N 3.15Å; T381-H384 PolarHBondContact OG1-N 2.86Å
382	A	80.5	Confident	83.3	Confident	99 Å²	99	39.5 Å²	39.5	82%	0.818	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-24.7	174.6	0	0	0	0	0	113.3
383	T	80.8	Confident	82.9	Confident	62 Å²	62	42.7 Å²	42.7	38%	0.38	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-3.6	178	55.3	0	0	0	0	114.1	T381 Y385 L386 N387	T381-T383 PolarHBondContact O-N 3.46Å; T381-T383 PolarHBondContact OG1-OG1 2.88Å; T383-Y385 VanDerWaalsContact C-N 3.32Å; T383-Y385 PolarHBondContact O-N 3.27Å; T383-L386 PolarHBondContact O-N 2.85Å; T383-L386 VanDerWaalsContact O-N 3.16Å; T383-N387 WeakPolarHBondContact O-CB 3.4Å; T383-N387 PolarHBondContact O-N 2.82Å; T383-N387 PolarHBondContact O-ND2 2.89Å; T383-N387 PolarHBondContact O-OD1 3.39Å
384	H	85.2	Confident	82.5	Confident	16 Å²	16	48.5 Å²	48.5	7%	0.074	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-42.7	-175.5	-173.2	91.9	0	0	0	113.2	C373 C376 E379 T381 S389	C373-H384 WeakPolarHBondContact CB-NE2 3.4Å; C373-H384 PolarHBondContact SG-NE2 3.35Å; C376-H384 PolarHBondContact SG-CE1 3.37Å; C376-H384 PolarHBondContact SG-NE2 2.96Å; E379-H384 PolarHBondContact O-ND1 3.29Å; T381-H384 WeakPolarHBondContact O-CB 3.3Å; T381-H384 PolarHBondContact O-N 3.15Å; T381-H384 PolarHBondContact OG1-N 2.86Å; H384-S389 PolarHBondContact O-OG 3.42Å
385	Y	84.1	Confident	82	Confident	53 Å²	53	49.3 Å²	49.3	21%	0.208	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-17.5	-179.8	-57.1	-73.3	0	0	0	113.4	N361 S362 T380 T383 C391 V393	N361-Y385 VanDerWaalsContact C-OH 3.31Å; N361-Y385 HydrophobicContact CB-CE1 4.5Å; S362-Y385 WeakPolarHBondContact CA-OH 3.22Å; S362-Y385 WeakPolarHBondContact CB-OH 3.34Å; S362-Y385 PolarHBondContact N-OH 2.83Å; T380-Y385 HydrophobicContact CG2-CE2 4.23Å; T380-Y385 WeakPolarHBondContact CG2-OH 3.38Å; T383-Y385 VanDerWaalsContact C-N 3.32Å; T383-Y385 PolarHBondContact O-N 3.27Å; Y385-C391 HydrophobicContact CD1-CB 4.43Å; Y385-C391 HydrophobicContact CE1-CB 4.47Å; Y385-V393 HydrophobicContact CD1-CB 4.45Å; Y385-V393 HydrophobicContact CD1-CG2 3.77Å; Y385-V393 HydrophobicContact CD2-CG2 3.85Å; Y385-V393 HydrophobicContact CE1-CG2 4.32Å; Y385-V393 HydrophobicContact CE2-CG2 4.39Å; Y385-V393 HydrophobicContact CG-CG2 3.5Å
386	L	77.3	Confident	81.4	Confident	99 Å²	99	59.3 Å²	59.3	52%	0.518	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-33	173.7	-64.7	175.2	0	0	0	110.9	T383 F388	T383-L386 PolarHBondContact O-N 2.85Å; T383-L386 VanDerWaalsContact O-N 3.16Å; L386-F388 PolarHBondContact O-N 2.76Å
387	N	71.1	Confident	81.2	Confident	36 Å²	36	62.2 Å²	62.2	19%	0.193	34%	0.339	C	S	.	.	S	Bend	trans	-69.7	124.7	170.9	-64	-8	0	0	0	107	T383 S389 Y491	T383-N387 WeakPolarHBondContact O-CB 3.4Å; T383-N387 PolarHBondContact O-N 2.82Å; T383-N387 PolarHBondContact O-ND2 2.89Å; T383-N387 PolarHBondContact O-OD1 3.39Å; N387-S389 PolarHBondContact O-N 3.03Å; N387-S389 PolarHBondContact O-OG 3.49Å; N387-Y491 PolarHBondContact ND2-OH 2.87Å; N387-Y491 VanDerWaalsContact OD1-CE1 3.25Å; N387-Y491 WeakPolarHBondContact OD1-CE1 3.18Å; N387-Y491 VanDerWaalsContact OD1-CZ 3.32Å; N387-Y491 PolarHBondContact OD1-OH 2.83Å
388	F	72.7	Confident	80.9	Confident	43 Å²	43	62.3 Å²	62.3	19%	0.189	34%	0.335	C	S	.	.			trans	-66.1	42.5	174.2	-82.1	-98.4	0	0	0	112.5	L386 G390 W399 A407 V408 I411 L492	L386-F388 PolarHBondContact O-N 2.76Å; F388-G390 PolarHBondContact O-N 2.98Å; F388-G390 VanDerWaalsContact O-N 3.11Å; F388-W399 HydrophobicContact CE1-CZ3 4.41Å; F388-A407 HydrophobicContact CE1-CB 3.89Å; F388-V408 HydrophobicContact CB-CG2 4.18Å; F388-V408 HydrophobicContact CD1-CG2 3.88Å; F388-V408 HydrophobicContact CD2-CG2 4.18Å; F388-V408 HydrophobicContact CE1-CG2 4.28Å; F388-V408 HydrophobicContact CG-CG2 3.82Å; F388-I411 HydrophobicContact CE1-CD1 4.34Å; F388-I411 HydrophobicContact CE2-CD1 3.97Å; F388-I411 HydrophobicContact CZ-CD1 3.42Å; F388-I411 VanDerWaalsContact CZ-CD1 3.42Å; F388-L492 HydrophobicContact CD2-CD2 3.61Å; F388-L492 HydrophobicContact CE2-CD1 4.4Å; F388-L492 HydrophobicContact CE2-CD2 3.74Å
389	S	71.5	Confident	80.8	Confident	15 Å²	15	63.7 Å²	63.7	11%	0.105	34%	0.34	C	S	.	.	S	Bend	trans	-58.8	-10.3	165	68.3	0	0	0	0	112.7	H384 N387 C391 R404	H384-S389 PolarHBondContact O-OG 3.42Å; N387-S389 PolarHBondContact O-N 3.03Å; N387-S389 PolarHBondContact O-OG 3.49Å; S389-C391 VanDerWaalsContact C-N 3.28Å; S389-C391 PolarHBondContact O-N 3.43Å; S389-C391 PolarHBondContact OG-N 3.33Å; S389-R404 PolarHBondContact O-NH1 3.15Å; S389-R404 VanDerWaalsContact O-NH1 3.11Å; S389-R404 PolarHBondContact O-NH2 3.49Å
390	G	76.4	Confident	80.6	Confident	6 Å²	6	61.5 Å²	61.5	6%	0.062	34%	0.337	C	S	.	.	S	Bend	trans	81.3	2.2	-177.4	0	0	0	0	0	114.5	F388 R398 W399 R404	F388-G390 PolarHBondContact O-N 2.98Å; F388-G390 VanDerWaalsContact O-N 3.11Å; G390-R398 CarbonylContact O-C 3.54Å; G390-R398 VanDerWaalsContact O-CA 3.22Å; G390-R398 WeakPolarHBondContact O-CA 3.27Å; G390-R398 WeakPolarHBondContact O-CB 3.22Å; G390-W399 PolarHBondContact O-N 2.87Å; G390-R404 VanDerWaalsContact CA-NE 3.26Å
391	C	85.8	Confident	80.6	Confident	6 Å²	6	65 Å²	65	4%	0.041	35%	0.351	C	S	.	.			trans	-83.4	125.5	173.5	-58.2	0	0	0	0	109.2	L375 Y385 S389	L375-C391 HydrophobicContact CD1-CB 4.3Å; Y385-C391 HydrophobicContact CD1-CB 4.43Å; Y385-C391 HydrophobicContact CE1-CB 4.47Å; S389-C391 VanDerWaalsContact C-N 3.28Å; S389-C391 PolarHBondContact O-N 3.43Å; S389-C391 PolarHBondContact OG-N 3.33Å
392	T	85.3	Confident	80.8	Confident	33 Å²	33	67.7 Å²	67.7	20%	0.202	36%	0.362	C	S	.	.			trans	-99.5	149.3	173.9	56.9	0	0	0	0	110.2	N361 L394 W399	N361-T392 PolarHBondContact ND2-O 3.33Å; T392-L394 VanDerWaalsContact C-N 3.29Å; T392-L394 WeakPolarHBondContact CB-O 3.49Å; T392-L394 PolarHBondContact O-N 3.26Å; T392-L394 PolarHBondContact OG1-O 2.81Å; T392-W399 HydrophobicContact CG2-CZ2 4.46Å; T392-W399 VanDerWaalsContact CG2-NE1 3.34Å
393	V	84.3	Confident	81.2	Confident	68 Å²	68	70.9 Å²	70.9	41%	0.412	35%	0.353	S	S	.	.	S	Bend	trans	-59.8	-45.1	175.2	179.2	0	0	0	0	110	C360 N361 Y385	C360-V393 VanDerWaalsContact SG-CG1 3.54Å; N361-V393 PolarHBondContact N-O 3.22Å; Y385-V393 HydrophobicContact CD1-CB 4.45Å; Y385-V393 HydrophobicContact CD1-CG2 3.77Å; Y385-V393 HydrophobicContact CD2-CG2 3.85Å; Y385-V393 HydrophobicContact CE1-CG2 4.32Å; Y385-V393 HydrophobicContact CE2-CG2 4.39Å; Y385-V393 HydrophobicContact CG-CG2 3.5Å
394	L	81.7	Confident	81.6	Confident	121 Å²	121	68.4 Å²	68.4	63%	0.634	34%	0.337	S	S	*	.	S	Bend	trans	-114	130.6	174	-66	165.3	0	0	0	108.9	T392	T392-L394 VanDerWaalsContact C-N 3.29Å; T392-L394 WeakPolarHBondContact CB-O 3.49Å; T392-L394 PolarHBondContact O-N 3.26Å; T392-L394 PolarHBondContact OG1-O 2.81Å
395	G	78.1	Confident	81.8	Confident	36 Å²	36	70 Å²	70	37%	0.371	35%	0.348	S	S	.	.			trans	149.1	154.6	177.7	0	0	0	0	0	113	N361	N361-G395 PolarHBondContact ND2-O 3.47Å; N361-G395 PolarHBondContact OD1-O 2.77Å
396	R	76.4	Confident	82.1	Confident	227 Å²	227	71.9 Å²	71.9	86%	0.857	37%	0.365	S	S	*	.	S	Bend	trans	-88.4	-23.4	-176.9	-64.7	-177.7	-178.8	152.8	-0.2	113.6	L375	L375-R396 WeakPolarHBondContact CD2-O 2.99Å
397	S	80.6	Confident	82.7	Confident	70 Å²	70	68.4 Å²	68.4	49%	0.49	35%	0.35	S	S	.	.	S	Bend	trans	-141.5	158.5	-175.3	59.9	0	0	0	0	111.8
398	R	83.3	Confident	83.6	Confident	62 Å²	62	67.1 Å²	67.1	23%	0.234	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-70.2	149.4	171.8	-61.2	-166.5	-154.9	157.4	18.8	110.3	L375 G390	L375-R398 HydrophobicContact CB-CG 3.74Å; L375-R398 HydrophobicContact CD1-CG 4.19Å; L375-R398 HydrophobicContact CG-CG 4.5Å; L375-R398 VanDerWaalsContact O-CZ 3.3Å; L375-R398 PolarHBondContact O-NE 3.18Å; L375-R398 PolarHBondContact O-NH2 3.26Å; G390-R398 CarbonylContact O-C 3.54Å; G390-R398 VanDerWaalsContact O-CA 3.22Å; G390-R398 WeakPolarHBondContact O-CA 3.27Å; G390-R398 WeakPolarHBondContact O-CB 3.22Å
399	W	82.9	Confident	84.5	Confident	100 Å²	100	68 Å²	68	38%	0.379	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-60.8	139	171	-75	16	0	0	0	111	F388 G390 T392 R403 R404 A407	F388-W399 HydrophobicContact CE1-CZ3 4.41Å; G390-W399 PolarHBondContact O-N 2.87Å; T392-W399 HydrophobicContact CG2-CZ2 4.46Å; T392-W399 VanDerWaalsContact CG2-NE1 3.34Å; W399-R403 HydrophobicContact CB-CB 4.34Å; W399-R403 HydrophobicContact CE3-CB 4.38Å; W399-R404 HydrophobicContact CB-CG 3.91Å; W399-R404 PolarHBondContact O-NE 3.35Å; W399-R404 PolarHBondContact O-NH2 3.41Å; W399-A407 HydrophobicContact CZ3-CB 3.77Å
400	S	85.1	Confident	85.5	Confident	60 Å²	60	69.4 Å²	69.4	42%	0.42	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-61.3	153.6	172.3	65.2	0	0	0	0	110.7	L402 R403 R404	S400-L402 VanDerWaalsContact C-N 3.25Å; S400-L402 PolarHBondContact O-N 3.18Å; S400-R403 PolarHBondContact O-N 2.83Å; S400-R403 WeakPolarHBondContact OG-CG 3.48Å; S400-R403 PolarHBondContact OG-N 3.49Å; S400-R404 PolarHBondContact O-N 2.93Å; S400-R404 VanDerWaalsContact O-N 3.11Å
401	K	86.1	Confident	86.2	Confident	84 Å²	84	72 Å²	72	37%	0.365	38%	0.382	S	S	.	.	H	α-helix	trans	-52.2	-46.1	-179.3	-63.9	-176.7	-179.8	-174.1	0	111.3	R403 R404 V405 L500	K401-R403 PolarHBondContact O-N 3.08Å; K401-R404 PolarHBondContact O-N 2.82Å; K401-V405 WeakPolarHBondContact O-CG2 3.38Å; K401-V405 PolarHBondContact O-N 3.5Å; K401-L500 HydrophobicContact CB-CD2 4.01Å; K401-L500 HydrophobicContact CD-CD2 4.21Å; K401-L500 HydrophobicContact CG-CD2 4.03Å
402	L	88	Confident	86.5	Confident	125 Å²	125	73.1 Å²	73.1	65%	0.654	39%	0.388	S	S	*	.	H	α-helix	trans	-60	-45.5	178.1	-176.2	64.4	0	0	0	112.3	S400 R404 V405 V406	S400-L402 VanDerWaalsContact C-N 3.25Å; S400-L402 PolarHBondContact O-N 3.18Å; L402-R404 VanDerWaalsContact C-N 3.29Å; L402-R404 PolarHBondContact O-N 3.49Å; L402-V405 PolarHBondContact O-N 3.15Å; L402-V406 HydrophobicContact CD1-CG2 4.07Å; L402-V406 HydrophobicContact CG-CG2 4.2Å; L402-V406 WeakPolarHBondContact O-CB 3.25Å; L402-V406 VanDerWaalsContact O-CG2 3.27Å; L402-V406 WeakPolarHBondContact O-CG2 3.25Å; L402-V406 PolarHBondContact O-N 3.17Å
403	R	88.1	Confident	87	Confident	167 Å²	167	77.7 Å²	77.7	63%	0.63	41%	0.41	S	S	*	.	H	α-helix	trans	-61.4	-38.6	178.4	-75.9	-179.3	-173.8	174.4	3.5	112	W399 S400 K401 A407	W399-R403 HydrophobicContact CB-CB 4.34Å; W399-R403 HydrophobicContact CE3-CB 4.38Å; S400-R403 PolarHBondContact O-N 2.83Å; S400-R403 WeakPolarHBondContact OG-CG 3.48Å; S400-R403 PolarHBondContact OG-N 3.49Å; K401-R403 PolarHBondContact O-N 3.08Å; R403-A407 VanDerWaalsContact O-CB 3.28Å; R403-A407 WeakPolarHBondContact O-CB 3.38Å; R403-A407 PolarHBondContact O-N 2.9Å
404	R	88.7	Confident	87.4	Confident	9 Å²	9	75.9 Å²	75.9	3%	0.034	41%	0.405	C	S	.	.	H	α-helix	trans	-63.8	-47.4	175.7	-60.6	178.7	-157.7	172.9	3	111.3	S389 G390 W399 S400 K401 L402 A407 V408 L496 D503	S389-R404 PolarHBondContact O-NH1 3.15Å; S389-R404 VanDerWaalsContact O-NH1 3.11Å; S389-R404 PolarHBondContact O-NH2 3.49Å; G390-R404 VanDerWaalsContact CA-NE 3.26Å; W399-R404 HydrophobicContact CB-CG 3.91Å; W399-R404 PolarHBondContact O-NE 3.35Å; W399-R404 PolarHBondContact O-NH2 3.41Å; S400-R404 PolarHBondContact O-N 2.93Å; S400-R404 VanDerWaalsContact O-N 3.11Å; K401-R404 PolarHBondContact O-N 2.82Å; L402-R404 VanDerWaalsContact C-N 3.29Å; L402-R404 PolarHBondContact O-N 3.49Å; R404-A407 PolarHBondContact O-N 2.67Å; R404-V408 WeakPolarHBondContact O-CG2 3.31Å; R404-V408 PolarHBondContact O-N 3.22Å; R404-L496 HydrophobicContact CB-CD1 4.13Å; R404-L496 WeakPolarHBondContact O-CD1 3.37Å; R404-D503 IonicContact CZ-OD2 3.54Å; R404-D503 IonicContact NH1-OD2 2.78Å; R404-D503 PolarHBondContact NH1-OD2 3.24Å; R404-D503 IonicContact NH2-OD2 2.82Å
405	V	89.6	Confident	87.9	Confident	51 Å²	51	71 Å²	71	31%	0.309	38%	0.38	S	S	.	.	H	α-helix	trans	-61.4	-50	179.2	174.8	0	0	0	0	110.7	K401 L402 A407 V408 C409 L496 L500	K401-V405 WeakPolarHBondContact O-CG2 3.38Å; K401-V405 PolarHBondContact O-N 3.5Å; L402-V405 PolarHBondContact O-N 3.15Å; V405-A407 VanDerWaalsContact C-N 3.3Å; V405-A407 PolarHBondContact O-N 2.65Å; V405-V408 PolarHBondContact O-N 3.16Å; V405-C409 WeakPolarHBondContact O-CB 3.43Å; V405-C409 PolarHBondContact O-N 3.3Å; V405-C409 PolarHBondContact O-SG 2.9Å; V405-L496 HydrophobicContact CG2-CD1 4.19Å; V405-L496 HydrophobicContact CG2-CD2 4.24Å; V405-L500 HydrophobicContact CG2-CD1 4.19Å
406	V	91.7	Very high	88.6	Confident	92 Å²	92	72.7 Å²	72.7	56%	0.558	39%	0.385	S	S	*	.	H	α-helix	trans	-59	-42.2	178.9	171.9	0	0	0	0	111.2	L402 G410	L402-V406 HydrophobicContact CD1-CG2 4.07Å; L402-V406 HydrophobicContact CG-CG2 4.2Å; L402-V406 WeakPolarHBondContact O-CB 3.25Å; L402-V406 VanDerWaalsContact O-CG2 3.27Å; L402-V406 WeakPolarHBondContact O-CG2 3.25Å; L402-V406 PolarHBondContact O-N 3.17Å; V406-G410 PolarHBondContact O-N 3.06Å
407	A	89.8	Confident	89.4	Confident	25 Å²	25	67.6 Å²	67.6	21%	0.207	37%	0.373	C	S	.	.	H	α-helix	trans	-64.6	-45.6	178.2	0	0	0	0	0	112.5	F388 W399 R403 R404 V405 G410 I411	F388-A407 HydrophobicContact CE1-CB 3.89Å; W399-A407 HydrophobicContact CZ3-CB 3.77Å; R403-A407 VanDerWaalsContact O-CB 3.28Å; R403-A407 WeakPolarHBondContact O-CB 3.38Å; R403-A407 PolarHBondContact O-N 2.9Å; R404-A407 PolarHBondContact O-N 2.67Å; V405-A407 VanDerWaalsContact C-N 3.3Å; V405-A407 PolarHBondContact O-N 2.65Å; A407-G410 PolarHBondContact O-N 3.49Å; A407-I411 WeakPolarHBondContact O-CG1 3.48Å; A407-I411 PolarHBondContact O-N 3.4Å
408	V	89.7	Confident	90	Very high	9 Å²	9	69.4 Å²	69.4	6%	0.055	38%	0.377	C	S	.	.	H	α-helix	trans	-65.7	-43.7	178.1	173.1	0	0	0	0	111	F388 R404 V405 G410 I411 M412 L492 L496	F388-V408 HydrophobicContact CB-CG2 4.18Å; F388-V408 HydrophobicContact CD1-CG2 3.88Å; F388-V408 HydrophobicContact CD2-CG2 4.18Å; F388-V408 HydrophobicContact CE1-CG2 4.28Å; F388-V408 HydrophobicContact CG-CG2 3.82Å; R404-V408 WeakPolarHBondContact O-CG2 3.31Å; R404-V408 PolarHBondContact O-N 3.22Å; V405-V408 PolarHBondContact O-N 3.16Å; V408-G410 VanDerWaalsContact C-N 3.31Å; V408-G410 PolarHBondContact O-N 3.11Å; V408-I411 PolarHBondContact O-N 3.12Å; V408-M412 HydrophobicContact CG1-CE 4.29Å; V408-M412 HydrophobicContact CG1-CG 4.48Å; V408-M412 WeakPolarHBondContact O-CG 3.28Å; V408-M412 PolarHBondContact O-N 3.44Å; V408-L492 HydrophobicContact CG1-CB 4.38Å; V408-L496 HydrophobicContact CB-CD1 3.83Å; V408-L496 HydrophobicContact CG1-CD1 4.43Å; V408-L496 HydrophobicContact CG2-CB 4.35Å; V408-L496 HydrophobicContact CG2-CD1 3.49Å; V408-L496 VanDerWaalsContact CG2-CD1 3.49Å
409	C	91.8	Very high	90.4	Very high	63 Å²	63	68.4 Å²	68.4	43%	0.426	38%	0.376	S	S	.	.	H	α-helix	trans	-60	-42	173.9	-68.7	0	0	0	0	111.7	V405 I411 M412 L413	V405-C409 WeakPolarHBondContact O-CB 3.43Å; V405-C409 PolarHBondContact O-N 3.3Å; V405-C409 PolarHBondContact O-SG 2.9Å; C409-I411 VanDerWaalsContact C-N 3.32Å; C409-I411 PolarHBondContact O-N 3.3Å; C409-M412 PolarHBondContact O-N 3.31Å; C409-L413 WeakPolarHBondContact O-CB 3.41Å; C409-L413 VanDerWaalsContact O-CG 3.29Å; C409-L413 WeakPolarHBondContact O-CG 3.24Å; C409-L413 PolarHBondContact O-N 3.11Å
410	G	92.6	Very high	90.8	Very high	44 Å²	44	66.6 Å²	66.6	45%	0.454	38%	0.377	S	S	.	.	H	α-helix	trans	-59.2	-41.1	175	0	0	0	0	0	112.6	V406 A407 V408 G414	V406-G410 PolarHBondContact O-N 3.06Å; A407-G410 PolarHBondContact O-N 3.49Å; V408-G410 VanDerWaalsContact C-N 3.31Å; V408-G410 PolarHBondContact O-N 3.11Å; G410-G414 WeakPolarHBondContact O-CA 3.44Å; G410-G414 PolarHBondContact O-N 3.01Å
411	I	91.5	Very high	91.2	Very high	59 Å²	59	68.2 Å²	68.2	30%	0.303	38%	0.38	S	S	.	.	H	α-helix	trans	-68.5	-42.7	175.5	-65.7	165.6	0	0	0	111	F388 A407 V408 C409 L413 G414 T415 V488 L492	F388-I411 HydrophobicContact CE1-CD1 4.34Å; F388-I411 HydrophobicContact CE2-CD1 3.97Å; F388-I411 HydrophobicContact CZ-CD1 3.42Å; F388-I411 VanDerWaalsContact CZ-CD1 3.42Å; A407-I411 WeakPolarHBondContact O-CG1 3.48Å; A407-I411 PolarHBondContact O-N 3.4Å; V408-I411 PolarHBondContact O-N 3.12Å; C409-I411 VanDerWaalsContact C-N 3.32Å; C409-I411 PolarHBondContact O-N 3.3Å; I411-L413 VanDerWaalsContact C-N 3.33Å; I411-L413 PolarHBondContact O-N 2.69Å; I411-G414 PolarHBondContact O-N 3.41Å; I411-T415 WeakPolarHBondContact O-CB 3.49Å; I411-T415 PolarHBondContact O-N 3.41Å; I411-T415 PolarHBondContact O-OG1 3.4Å; I411-V488 HydrophobicContact CG2-CG1 4.31Å; I411-V488 HydrophobicContact CG2-CG2 4.39Å; I411-L492 HydrophobicContact CG2-CD1 4Å
412	M	92	Very high	91.4	Very high	31 Å²	31	67.7 Å²	67.7	15%	0.153	39%	0.385	C	S	.	.	H	α-helix	trans	-61.7	-41.5	178.5	-70.2	-49.3	104.1	0	0	112.2	V408 C409 P416 V488 Y489 L492 P493	V408-M412 HydrophobicContact CG1-CE 4.29Å; V408-M412 HydrophobicContact CG1-CG 4.48Å; V408-M412 WeakPolarHBondContact O-CG 3.28Å; V408-M412 PolarHBondContact O-N 3.44Å; C409-M412 PolarHBondContact O-N 3.31Å; M412-P416 WeakPolarHBondContact O-CD 3.3Å; M412-V488 VanDerWaalsContact CE-C 3.47Å; M412-V488 HydrophobicContact CE-CB 4.12Å; M412-V488 HydrophobicContact CE-CG1 3.28Å; M412-V488 WeakPolarHBondContact CE-O 3.24Å; M412-V488 HydrophobicContact SD-CG1 3.64Å; M412-Y489 HydrophobicContact CB-CE1 4.29Å; M412-Y489 PolarHBondContact O-OH 2.92Å; M412-Y489 HydrophobicContact SD-CD1 3.47Å; M412-Y489 WeakPolarHBondContact SD-CD1 3.46Å; M412-Y489 HydrophobicContact SD-CE1 3.8Å; M412-Y489 HydrophobicContact SD-CG 4.13Å; M412-L492 HydrophobicContact CE-CB 4.12Å; M412-L492 HydrophobicContact CE-CD1 3.94Å; M412-P493 HydrophobicContact SD-CG 4.2Å
413	L	94.1	Very high	91.6	Very high	129 Å²	129	63.2 Å²	63.2	68%	0.675	36%	0.361	S	S	*	.	H	α-helix	trans	-79.1	-31.3	-179.6	-67.7	170.4	0	0	0	112.5	C409 I411 P416	C409-L413 WeakPolarHBondContact O-CB 3.41Å; C409-L413 VanDerWaalsContact O-CG 3.29Å; C409-L413 WeakPolarHBondContact O-CG 3.24Å; C409-L413 PolarHBondContact O-N 3.11Å; I411-L413 VanDerWaalsContact C-N 3.33Å; I411-L413 PolarHBondContact O-N 2.69Å; L413-P416 VanDerWaalsContact O-CD 3.3Å; L413-P416 WeakPolarHBondContact O-CD 3.37Å; L413-P416 WeakPolarHBondContact O-CG 3.42Å
414	G	93.7	Very high	91.8	Very high	29 Å²	29	60 Å²	60	30%	0.299	36%	0.36	S	S	.	.	H	α-helix	trans	-80.2	-36.3	-179.5	0	0	0	0	0	113.8	G410 I411 I417 L418	G410-G414 WeakPolarHBondContact O-CA 3.44Å; G410-G414 PolarHBondContact O-N 3.01Å; I411-G414 PolarHBondContact O-N 3.41Å; G414-I417 PolarHBondContact O-N 3.17Å; G414-I417 VanDerWaalsContact O-N 3.11Å; G414-L418 VanDerWaalsContact O-CB 3.32Å; G414-L418 WeakPolarHBondContact O-CB 3.46Å; G414-L418 PolarHBondContact O-N 2.98Å
415	T	93	Very high	91.9	Very high	18 Å²	18	64.9 Å²	64.9	11%	0.11	39%	0.385	C	S	.	.	H	α-helix	trans	-52.5	-46.2	-179.3	-59.4	0	0	0	0	114.6	I411 I417 L418 L419 V488 Y489	I411-T415 WeakPolarHBondContact O-CB 3.49Å; I411-T415 PolarHBondContact O-N 3.41Å; I411-T415 PolarHBondContact O-OG1 3.4Å; T415-I417 PolarHBondContact O-N 3.09Å; T415-L418 PolarHBondContact O-N 3.04Å; T415-L419 HydrophobicContact CG2-CB 4.39Å; T415-L419 WeakPolarHBondContact O-CB 3.35Å; T415-L419 PolarHBondContact O-N 3.27Å; T415-V488 HydrophobicContact CG2-CG1 4.11Å; T415-V488 HydrophobicContact CG2-CG2 4.34Å; T415-V488 WeakPolarHBondContact OG1-CG1 3.09Å; T415-Y489 HydrophobicContact CG2-CE2 4.43Å
416	P	92	Very high	91.9	Very high	72 Å²	72	63.9 Å²	63.9	47%	0.468	38%	0.383	S	S	.	.	H	α-helix	trans	-70.4	-16	-177.1	29.1	-33	0	0	0	112.9	M412 L413 P420 Y489	M412-P416 WeakPolarHBondContact O-CD 3.3Å; L413-P416 VanDerWaalsContact O-CD 3.3Å; L413-P416 WeakPolarHBondContact O-CD 3.37Å; L413-P416 WeakPolarHBondContact O-CG 3.42Å; P416-P420 WeakPolarHBondContact O-CD 3.47Å; P416-P420 WeakPolarHBondContact O-CG 3.27Å; P416-Y489 VanDerWaalsContact CD-OH 3.31Å; P416-Y489 WeakPolarHBondContact CD-OH 3.49Å
417	I	93	Very high	91.8	Very high	121 Å²	121	62.4 Å²	62.4	62%	0.621	37%	0.371	S	S	*	.	H	α-helix	trans	-95.3	-47.3	176.1	-58.7	172.2	0	0	0	110	G414 T415 P420 L421	G414-I417 PolarHBondContact O-N 3.17Å; G414-I417 VanDerWaalsContact O-N 3.11Å; T415-I417 PolarHBondContact O-N 3.09Å; I417-P420 WeakPolarHBondContact O-CD 3.46Å; I417-P420 WeakPolarHBondContact O-CG 3.44Å; I417-L421 VanDerWaalsContact O-CB 3.3Å; I417-L421 WeakPolarHBondContact O-CB 3.48Å; I417-L421 PolarHBondContact O-N 3.41Å
418	L	92.6	Very high	91.7	Very high	108 Å²	108	64.4 Å²	64.4	57%	0.565	38%	0.382	S	S	*	.	H	α-helix	trans	-75.2	-36.6	-172.6	-154	74.4	0	0	0	112.2	G414 T415 T422	G414-L418 VanDerWaalsContact O-CB 3.32Å; G414-L418 WeakPolarHBondContact O-CB 3.46Å; G414-L418 PolarHBondContact O-N 2.98Å; T415-L418 PolarHBondContact O-N 3.04Å; L418-T422 HydrophobicContact CG-CG2 4.47Å; L418-T422 WeakPolarHBondContact O-CB 3.49Å; L418-T422 WeakPolarHBondContact O-CG2 3.18Å; L418-T422 PolarHBondContact O-N 2.8Å; L418-T422 PolarHBondContact O-OG1 3.5Å
419	L	92.1	Very high	91.7	Very high	41 Å²	41	66.9 Å²	66.9	22%	0.215	40%	0.404	C	S	.	.	H	α-helix	trans	-62.4	-53.2	178.8	-168.5	96.8	0	0	0	112.2	T415 L421 T422 I423 I481 V484	T415-L419 HydrophobicContact CG2-CB 4.39Å; T415-L419 WeakPolarHBondContact O-CB 3.35Å; T415-L419 PolarHBondContact O-N 3.27Å; L419-L421 PolarHBondContact O-N 3.44Å; L419-T422 PolarHBondContact O-N 3.01Å; L419-T422 PolarHBondContact O-OG1 3.43Å; L419-I423 HydrophobicContact CD2-CD1 4.29Å; L419-I423 HydrophobicContact CG-CD1 4.06Å; L419-I423 WeakPolarHBondContact O-CD1 3.28Å; L419-I423 VanDerWaalsContact O-CG1 3.26Å; L419-I423 WeakPolarHBondContact O-CG1 3.3Å; L419-I423 PolarHBondContact O-N 2.82Å; L419-I423 VanDerWaalsContact O-N 3.09Å; L419-I481 HydrophobicContact CD2-CG1 4.35Å; L419-I481 HydrophobicContact CD2-CG2 4.22Å; L419-V484 HydrophobicContact CD1-CG1 4.13Å
420	P	91.7	Very high	91.6	Very high	61 Å²	61	68 Å²	68	40%	0.396	41%	0.405	S	S	.	.	H	α-helix	trans	-65.9	-38.6	177	25.3	-33.6	0	0	0	112.2	P416 I417 T422 I423 V424	P416-P420 WeakPolarHBondContact O-CD 3.47Å; P416-P420 WeakPolarHBondContact O-CG 3.27Å; I417-P420 WeakPolarHBondContact O-CD 3.46Å; I417-P420 WeakPolarHBondContact O-CG 3.44Å; P420-T422 VanDerWaalsContact C-N 3.32Å; P420-T422 PolarHBondContact O-N 3.03Å; P420-I423 PolarHBondContact O-N 3.42Å; P420-V424 WeakPolarHBondContact O-CB 3.3Å; P420-V424 VanDerWaalsContact O-CG2 3.26Å; P420-V424 WeakPolarHBondContact O-CG2 3.49Å; P420-V424 PolarHBondContact O-N 3.39Å
421	L	93.7	Very high	91.3	Very high	94 Å²	94	67 Å²	67	49%	0.492	39%	0.391	S	S	.	.	H	α-helix	trans	-58.9	-44.3	177.9	-176.5	67.7	0	0	0	111.7	I417 L419 V424 I425	I417-L421 VanDerWaalsContact O-CB 3.3Å; I417-L421 WeakPolarHBondContact O-CB 3.48Å; I417-L421 PolarHBondContact O-N 3.41Å; L419-L421 PolarHBondContact O-N 3.44Å; L421-V424 PolarHBondContact O-N 2.98Å; L421-I425 HydrophobicContact CD1-CD1 4.27Å; L421-I425 HydrophobicContact CG-CD1 4.21Å; L421-I425 WeakPolarHBondContact O-CG1 3.37Å; L421-I425 PolarHBondContact O-N 3.03Å
422	T	90.8	Very high	91.2	Very high	74 Å²	74	69.3 Å²	69.3	45%	0.454	40%	0.403	S	S	.	.	H	α-helix	trans	-67.3	-38.9	177.5	53.4	0	0	0	0	112.2	L418 L419 P420 I425 A426	L418-T422 HydrophobicContact CG-CG2 4.47Å; L418-T422 WeakPolarHBondContact O-CB 3.49Å; L418-T422 WeakPolarHBondContact O-CG2 3.18Å; L418-T422 PolarHBondContact O-N 2.8Å; L418-T422 PolarHBondContact O-OG1 3.5Å; L419-T422 PolarHBondContact O-N 3.01Å; L419-T422 PolarHBondContact O-OG1 3.43Å; P420-T422 VanDerWaalsContact C-N 3.32Å; P420-T422 PolarHBondContact O-N 3.03Å; T422-I425 PolarHBondContact O-N 2.94Å; T422-A426 WeakPolarHBondContact O-CB 3.26Å; T422-A426 PolarHBondContact O-N 3.41Å
423	I	91.3	Very high	91	Very high	30 Å²	30	69.8 Å²	69.8	15%	0.154	42%	0.416	C	S	.	.	H	α-helix	trans	-64.4	-44.8	176.4	-67.7	165.2	0	0	0	111.1	L419 P420 I425 A426 L427 F477 I481	L419-I423 HydrophobicContact CD2-CD1 4.29Å; L419-I423 HydrophobicContact CG-CD1 4.06Å; L419-I423 WeakPolarHBondContact O-CD1 3.28Å; L419-I423 VanDerWaalsContact O-CG1 3.26Å; L419-I423 WeakPolarHBondContact O-CG1 3.3Å; L419-I423 PolarHBondContact O-N 2.82Å; L419-I423 VanDerWaalsContact O-N 3.09Å; P420-I423 PolarHBondContact O-N 3.42Å; I423-I425 VanDerWaalsContact C-N 3.28Å; I423-I425 PolarHBondContact O-N 2.98Å; I423-A426 PolarHBondContact O-N 2.93Å; I423-L427 HydrophobicContact CG2-CD1 3.54Å; I423-L427 HydrophobicContact CG2-CG 3.97Å; I423-L427 WeakPolarHBondContact O-CB 3.49Å; I423-L427 VanDerWaalsContact O-CG 3.3Å; I423-L427 WeakPolarHBondContact O-CG 2.91Å; I423-L427 PolarHBondContact O-N 3.35Å; I423-F477 HydrophobicContact CD1-CD1 4.5Å; I423-F477 HydrophobicContact CG1-CD1 4.2Å; I423-F477 HydrophobicContact CG1-CE1 4.15Å; I423-I481 HydrophobicContact CD1-CD1 3.84Å; I423-I481 HydrophobicContact CD1-CG1 4.31Å
424	V	91.5	Very high	90.8	Very high	101 Å²	101	67.1 Å²	67.1	61%	0.612	40%	0.399	S	S	*	.	H	α-helix	trans	-61.2	-36.2	179.4	170.6	0	0	0	0	111.8	P420 L421 P428	P420-V424 WeakPolarHBondContact O-CB 3.3Å; P420-V424 VanDerWaalsContact O-CG2 3.26Å; P420-V424 WeakPolarHBondContact O-CG2 3.49Å; P420-V424 PolarHBondContact O-N 3.39Å; L421-V424 PolarHBondContact O-N 2.98Å; V424-P428 WeakPolarHBondContact O-CD 3.28Å; V424-P428 WeakPolarHBondContact O-CG 3.22Å
425	I	92.2	Very high	90.5	Very high	110 Å²	110	66.7 Å²	66.7	56%	0.564	39%	0.39	S	S	*	.	H	α-helix	trans	-80.6	-40.3	177.2	-63.5	168.4	0	0	0	111.4	L421 T422 I423 P428 A429	L421-I425 HydrophobicContact CD1-CD1 4.27Å; L421-I425 HydrophobicContact CG-CD1 4.21Å; L421-I425 WeakPolarHBondContact O-CG1 3.37Å; L421-I425 PolarHBondContact O-N 3.03Å; T422-I425 PolarHBondContact O-N 2.94Å; I423-I425 VanDerWaalsContact C-N 3.28Å; I423-I425 PolarHBondContact O-N 2.98Å; I425-P428 WeakPolarHBondContact O-CD 3.45Å; I425-A429 WeakPolarHBondContact O-CB 3.44Å; I425-A429 PolarHBondContact O-N 3.11Å
426	A	89.8	Confident	90.2	Very high	31 Å²	31	68.9 Å²	68.9	26%	0.256	40%	0.404	S	S	.	.	H	α-helix	trans	-71	-39	-175.3	0	0	0	0	0	112.7	T422 I423 A429 L430	T422-A426 WeakPolarHBondContact O-CB 3.26Å; T422-A426 PolarHBondContact O-N 3.41Å; I423-A426 PolarHBondContact O-N 2.93Å; A426-A429 PolarHBondContact O-N 2.78Å; A426-L430 HydrophobicContact CB-CD1 4.34Å; A426-L430 WeakPolarHBondContact O-CB 3.47Å; A426-L430 WeakPolarHBondContact O-CG 3.41Å; A426-L430 PolarHBondContact O-N 2.89Å
427	L	89	Confident	90.1	Very high	61 Å²	61	69 Å²	69	32%	0.319	41%	0.406	S	S	.	.	H	α-helix	trans	-59.8	-49.6	-176.8	-73.6	173	0	0	0	112.9	I423 S431 T473 F477	I423-L427 HydrophobicContact CG2-CD1 3.54Å; I423-L427 HydrophobicContact CG2-CG 3.97Å; I423-L427 WeakPolarHBondContact O-CB 3.49Å; I423-L427 VanDerWaalsContact O-CG 3.3Å; I423-L427 WeakPolarHBondContact O-CG 2.91Å; I423-L427 PolarHBondContact O-N 3.35Å; L427-S431 WeakPolarHBondContact O-CB 3.37Å; L427-S431 PolarHBondContact O-N 2.97Å; L427-S431 PolarHBondContact O-OG 2.91Å; L427-T473 HydrophobicContact CD2-CG2 4.36Å; L427-T473 WeakPolarHBondContact CD2-OG1 3.44Å; L427-F477 HydrophobicContact CD2-CD2 3.95Å; L427-F477 HydrophobicContact CD2-CE2 3.74Å; L427-F477 HydrophobicContact CG-CE2 4.45Å
428	P	87.6	Confident	89.8	Confident	66 Å²	66	65.8 Å²	65.8	43%	0.429	39%	0.389	S	S	.	.	H	α-helix	trans	-66.7	-40.5	174.8	-20.6	33	0	0	0	113.2	V424 I425 L430 S431 I432	V424-P428 WeakPolarHBondContact O-CD 3.28Å; V424-P428 WeakPolarHBondContact O-CG 3.22Å; I425-P428 WeakPolarHBondContact O-CD 3.45Å; P428-L430 PolarHBondContact O-N 3.31Å; P428-S431 WeakPolarHBondContact CA-OG 3.33Å; P428-S431 PolarHBondContact O-N 3.16Å; P428-S431 PolarHBondContact O-OG 2.67Å; P428-I432 VanDerWaalsContact O-CG1 3.27Å; P428-I432 WeakPolarHBondContact O-CG1 3.41Å; P428-I432 PolarHBondContact O-N 3.32Å
429	A	90.1	Very high	89.5	Confident	62 Å²	62	62.1 Å²	62.1	51%	0.512	37%	0.372	S	S	.	.	H	α-helix	trans	-63.8	-43.1	-178.8	0	0	0	0	0	111.6	I425 A426 G433	I425-A429 WeakPolarHBondContact O-CB 3.44Å; I425-A429 PolarHBondContact O-N 3.11Å; A426-A429 PolarHBondContact O-N 2.78Å; A429-G433 PolarHBondContact O-N 3.43Å
430	L	89.9	Confident	89.3	Confident	86 Å²	86	66.6 Å²	66.6	45%	0.45	39%	0.39	S	S	.	.	H	α-helix	trans	-72.5	-33.7	178.4	-62.4	169.8	0	0	0	112	A426 P428 G433 F434 F469	A426-L430 HydrophobicContact CB-CD1 4.34Å; A426-L430 WeakPolarHBondContact O-CB 3.47Å; A426-L430 WeakPolarHBondContact O-CG 3.41Å; A426-L430 PolarHBondContact O-N 2.89Å; P428-L430 PolarHBondContact O-N 3.31Å; L430-G433 PolarHBondContact O-N 3.44Å; L430-F434 VanDerWaalsContact O-CB 3.23Å; L430-F434 WeakPolarHBondContact O-CB 3.2Å; L430-F434 PolarHBondContact O-N 3.46Å; L430-F469 HydrophobicContact CB-CE1 3.71Å; L430-F469 HydrophobicContact CB-CE2 4.47Å; L430-F469 HydrophobicContact CB-CZ 3.36Å
431	S	86.6	Confident	89.1	Confident	23 Å²	23	67.1 Å²	67.1	16%	0.161	39%	0.393	C	S	.	.	H	α-helix	trans	-67.8	-42.7	177.5	71.8	0	0	0	0	112.1	L427 P428 T435	L427-S431 WeakPolarHBondContact O-CB 3.37Å; L427-S431 PolarHBondContact O-N 2.97Å; L427-S431 PolarHBondContact O-OG 2.91Å; P428-S431 WeakPolarHBondContact CA-OG 3.33Å; P428-S431 PolarHBondContact O-N 3.16Å; P428-S431 PolarHBondContact O-OG 2.67Å; S431-T435 WeakPolarHBondContact O-CB 3.43Å; S431-T435 VanDerWaalsContact O-CG2 3.29Å; S431-T435 WeakPolarHBondContact O-CG2 3.06Å; S431-T435 PolarHBondContact O-N 2.86Å; S431-T435 VanDerWaalsContact O-N 3.07Å; S431-T435 PolarHBondContact O-OG1 3.48Å
432	I	87.8	Confident	88.7	Confident	108 Å²	108	63.9 Å²	63.9	55%	0.554	38%	0.377	S	S	*	.	H	α-helix	trans	-65.7	-44.2	173	-63.1	166.6	0	0	0	110.1	P428 F434 T435 V436	P428-I432 VanDerWaalsContact O-CG1 3.27Å; P428-I432 WeakPolarHBondContact O-CG1 3.41Å; P428-I432 PolarHBondContact O-N 3.32Å; I432-F434 PolarHBondContact O-N 3.06Å; I432-T435 WeakPolarHBondContact CA-OG1 3.4Å; I432-T435 PolarHBondContact O-N 2.97Å; I432-T435 PolarHBondContact O-OG1 2.87Å; I432-V436 HydrophobicContact CG2-CG2 4.48Å; I432-V436 VanDerWaalsContact O-CG2 3.3Å; I432-V436 WeakPolarHBondContact O-CG2 3.14Å; I432-V436 PolarHBondContact O-N 2.94Å
433	G	88.9	Confident	88.4	Confident	41 Å²	41	63.3 Å²	63.3	42%	0.423	37%	0.371	S	S	.	.	H	α-helix	trans	-60.1	-44.1	178.4	0	0	0	0	0	113.1	A429 L430 S437	A429-G433 PolarHBondContact O-N 3.43Å; L430-G433 PolarHBondContact O-N 3.44Å; G433-S437 VanDerWaalsContact O-CB 3.3Å; G433-S437 WeakPolarHBondContact O-CB 3.29Å; G433-S437 PolarHBondContact O-N 2.84Å
434	F	89.3	Confident	88.2	Confident	72 Å²	72	71 Å²	71	32%	0.316	40%	0.398	S	S	.	.	H	α-helix	trans	-68.3	-45.7	-179.9	-174.7	-103.9	0	0	0	112.1	L430 I432 V436 S437 I438 F469	L430-F434 VanDerWaalsContact O-CB 3.23Å; L430-F434 WeakPolarHBondContact O-CB 3.2Å; L430-F434 PolarHBondContact O-N 3.46Å; I432-F434 PolarHBondContact O-N 3.06Å; F434-V436 VanDerWaalsContact C-N 3.35Å; F434-V436 PolarHBondContact O-N 3.19Å; F434-S437 PolarHBondContact O-N 3.03Å; F434-S437 VanDerWaalsContact O-N 3.11Å; F434-I438 HydrophobicContact CD1-CD1 3.79Å; F434-I438 HydrophobicContact CD2-CD1 4.39Å; F434-I438 HydrophobicContact CE1-CD1 3.23Å; F434-I438 HydrophobicContact CE1-CG1 4.37Å; F434-I438 HydrophobicContact CE2-CD1 3.9Å; F434-I438 HydrophobicContact CG-CD1 4.36Å; F434-I438 HydrophobicContact CZ-CD1 3.32Å; F434-I438 HydrophobicContact CZ-CG1 4.36Å; F434-I438 PolarHBondContact O-N 3.31Å; F434-F469 HydrophobicContact CB-CD2 3.53Å; F434-F469 HydrophobicContact CB-CE2 3.74Å; F434-F469 HydrophobicContact CB-CG 4.05Å; F434-F469 HydrophobicContact CB-CZ 4.41Å; F434-F469 HydrophobicContact CD1-CB 3.71Å; F434-F469 AromaticContact CD1-CD2 3.46Å; F434-F469 HydrophobicContact CD1-CD2 3.46Å; F434-F469 VanDerWaalsContact CD1-CD2 3.46Å; F434-F469 HydrophobicContact CD1-CE2 4.42Å; F434-F469 AromaticContact CD1-CG 3.82Å; F434-F469 HydrophobicContact CD1-CG 3.82Å; F434-F469 AromaticContact CD2-CD2 3.78Å; F434-F469 HydrophobicContact CD2-CD2 3.78Å; F434-F469 HydrophobicContact CD2-CE2 4.07Å; F434-F469 HydrophobicContact CE1-CB 4.03Å; F434-F469 AromaticContact CE1-CD2 3.96Å; F434-F469 HydrophobicContact CE1-CD2 3.96Å; F434-F469 HydrophobicContact CE1-CG 4.42Å; F434-F469 HydrophobicContact CE2-CD2 4.27Å; F434-F469 HydrophobicContact CG-CB 4.42Å; F434-F469 AromaticContact CG-CD2 3.32Å; F434-F469 HydrophobicContact CG-CD2 3.32Å; F434-F469 AromaticContact CG-CE2 3.85Å; F434-F469 HydrophobicContact CG-CE2 3.85Å; F434-F469 HydrophobicContact CG-CG 4.03Å; F434-F469 HydrophobicContact CZ-CD2 4.33Å
435	T	86.7	Confident	87.9	Confident	20 Å²	20	73.7 Å²	73.7	12%	0.123	41%	0.406	C	S	.	.	H	α-helix	trans	-61	-42	177	51.2	0	0	0	0	111.7	S431 I432 I438 T439 L466	S431-T435 WeakPolarHBondContact O-CB 3.43Å; S431-T435 VanDerWaalsContact O-CG2 3.29Å; S431-T435 WeakPolarHBondContact O-CG2 3.06Å; S431-T435 PolarHBondContact O-N 2.86Å; S431-T435 VanDerWaalsContact O-N 3.07Å; S431-T435 PolarHBondContact O-OG1 3.48Å; I432-T435 WeakPolarHBondContact CA-OG1 3.4Å; I432-T435 PolarHBondContact O-N 2.97Å; I432-T435 PolarHBondContact O-OG1 2.87Å; T435-I438 PolarHBondContact O-N 3.23Å; T435-T439 WeakPolarHBondContact O-CB 3.37Å; T435-T439 WeakPolarHBondContact O-CG2 3.37Å; T435-T439 PolarHBondContact O-N 3.36Å; T435-T439 PolarHBondContact O-OG1 3Å; T435-L466 HydrophobicContact CG2-CD2 3.97Å; T435-L466 HydrophobicContact CG2-CG 4.13Å
436	V	88.2	Confident	87.4	Confident	65 Å²	65	70.7 Å²	70.7	39%	0.394	39%	0.389	S	S	.	.	H	α-helix	trans	-66.1	-37.3	173.6	174.9	0	0	0	0	111.9	I432 F434 I438 T439 K440	I432-V436 HydrophobicContact CG2-CG2 4.48Å; I432-V436 VanDerWaalsContact O-CG2 3.3Å; I432-V436 WeakPolarHBondContact O-CG2 3.14Å; I432-V436 PolarHBondContact O-N 2.94Å; F434-V436 VanDerWaalsContact C-N 3.35Å; F434-V436 PolarHBondContact O-N 3.19Å; V436-I438 PolarHBondContact O-N 3.19Å; V436-T439 VanDerWaalsContact CA-OG1 3.31Å; V436-T439 WeakPolarHBondContact CA-OG1 3.49Å; V436-T439 PolarHBondContact O-OG1 3.47Å; V436-T439 VanDerWaalsContact O-OG1 3.07Å; V436-K440 HydrophobicContact CG1-CD 4.38Å; V436-K440 WeakPolarHBondContact O-CG 3.45Å; V436-K440 PolarHBondContact O-N 3.06Å
437	S	89	Confident	86.8	Confident	73 Å²	73	74.3 Å²	74.3	51%	0.51	40%	0.403	S	S	.	.	H	α-helix	trans	-68.3	-32	-179.7	-171.4	0	0	0	0	113.2	G433 F434 P441	G433-S437 VanDerWaalsContact O-CB 3.3Å; G433-S437 WeakPolarHBondContact O-CB 3.29Å; G433-S437 PolarHBondContact O-N 2.84Å; F434-S437 PolarHBondContact O-N 3.03Å; F434-S437 VanDerWaalsContact O-N 3.11Å; S437-P441 WeakPolarHBondContact O-CD 3.16Å; S437-P441 VanDerWaalsContact O-CG 3.3Å; S437-P441 WeakPolarHBondContact O-CG 3.46Å
438	I	87.8	Confident	86.4	Confident	54 Å²	54	77.1 Å²	77.1	28%	0.277	43%	0.428	S	S	.	.	H	α-helix	trans	-84.8	-38.2	177.6	-63	179.6	0	0	0	111.2	F434 T435 V436 K440 P441 V442 V461	F434-I438 HydrophobicContact CD1-CD1 3.79Å; F434-I438 HydrophobicContact CD2-CD1 4.39Å; F434-I438 HydrophobicContact CE1-CD1 3.23Å; F434-I438 HydrophobicContact CE1-CG1 4.37Å; F434-I438 HydrophobicContact CE2-CD1 3.9Å; F434-I438 HydrophobicContact CG-CD1 4.36Å; F434-I438 HydrophobicContact CZ-CD1 3.32Å; F434-I438 HydrophobicContact CZ-CG1 4.36Å; F434-I438 PolarHBondContact O-N 3.31Å; T435-I438 PolarHBondContact O-N 3.23Å; V436-I438 PolarHBondContact O-N 3.19Å; I438-K440 VanDerWaalsContact C-N 3.33Å; I438-K440 PolarHBondContact O-N 3.45Å; I438-P441 WeakPolarHBondContact O-CD 3.46Å; I438-P441 VanDerWaalsContact O-CG 3.28Å; I438-P441 WeakPolarHBondContact O-CG 3.45Å; I438-V442 HydrophobicContact CG2-CG2 4Å; I438-V442 WeakPolarHBondContact O-CB 3.31Å; I438-V442 VanDerWaalsContact O-CG2 3.22Å; I438-V442 WeakPolarHBondContact O-CG2 3.35Å; I438-V442 PolarHBondContact O-N 3.25Å; I438-V461 HydrophobicContact CB-CG1 4.44Å; I438-V461 HydrophobicContact CG2-CG1 3.45Å; I438-V461 VanDerWaalsContact CG2-CG1 3.45Å
439	T	85.7	Confident	86.1	Confident	32 Å²	32	79.5 Å²	79.5	20%	0.196	43%	0.432	C	S	.	.	H	α-helix	trans	-63.9	-35.8	-178.8	48	0	0	0	0	112.9	T435 V436 N443 V462	T435-T439 WeakPolarHBondContact O-CB 3.37Å; T435-T439 WeakPolarHBondContact O-CG2 3.37Å; T435-T439 PolarHBondContact O-N 3.36Å; T435-T439 PolarHBondContact O-OG1 3Å; V436-T439 VanDerWaalsContact CA-OG1 3.31Å; V436-T439 WeakPolarHBondContact CA-OG1 3.49Å; V436-T439 PolarHBondContact O-OG1 3.47Å; V436-T439 VanDerWaalsContact O-OG1 3.07Å; T439-N443 WeakPolarHBondContact O-CB 3.43Å; T439-N443 PolarHBondContact O-N 3.11Å; T439-V462 HydrophobicContact CG2-CG2 3.4Å; T439-V462 VanDerWaalsContact CG2-CG2 3.4Å
440	K	87.2	Confident	85.8	Confident	135 Å²	135	80 Å²	80	59%	0.587	43%	0.431	S	S	*	.	H	α-helix	trans	-59.2	-56.9	177.3	-77.7	-179.9	179.6	177.8	0	114.3	V436 I438 N443 R444	V436-K440 HydrophobicContact CG1-CD 4.38Å; V436-K440 WeakPolarHBondContact O-CG 3.45Å; V436-K440 PolarHBondContact O-N 3.06Å; I438-K440 VanDerWaalsContact C-N 3.33Å; I438-K440 PolarHBondContact O-N 3.45Å; K440-N443 PolarHBondContact O-N 3.23Å; K440-R444 WeakPolarHBondContact O-CG 3.42Å; K440-R444 PolarHBondContact O-N 3.39Å; K440-R444 VanDerWaalsContact O-N 3.13Å
441	P	88.2	Confident	85.6	Confident	71 Å²	71	83.4 Å²	83.4	46%	0.461	44%	0.442	S	S	.	.	H	α-helix	trans	-66.3	-39.5	179.3	24.7	-33.5	0	0	0	112	S437 I438 N443 R444 M445	S437-P441 WeakPolarHBondContact O-CD 3.16Å; S437-P441 VanDerWaalsContact O-CG 3.3Å; S437-P441 WeakPolarHBondContact O-CG 3.46Å; I438-P441 WeakPolarHBondContact O-CD 3.46Å; I438-P441 VanDerWaalsContact O-CG 3.28Å; I438-P441 WeakPolarHBondContact O-CG 3.45Å; P441-N443 PolarHBondContact O-N 2.86Å; P441-R444 PolarHBondContact O-N 3.23Å; P441-M445 WeakPolarHBondContact O-CB 3.41Å; P441-M445 PolarHBondContact O-N 3.31Å
442	V	86	Confident	85.6	Confident	27 Å²	27	89.8 Å²	89.8	16%	0.164	47%	0.469	C	S	.	.	H	α-helix	trans	-61.3	-46.5	176.6	173.2	0	0	0	0	110.4	I438 R444 M445 F446 I457 L458 V461	I438-V442 HydrophobicContact CG2-CG2 4Å; I438-V442 WeakPolarHBondContact O-CB 3.31Å; I438-V442 VanDerWaalsContact O-CG2 3.22Å; I438-V442 WeakPolarHBondContact O-CG2 3.35Å; I438-V442 PolarHBondContact O-N 3.25Å; V442-R444 VanDerWaalsContact C-N 3.28Å; V442-R444 PolarHBondContact O-N 3.44Å; V442-M445 PolarHBondContact O-N 3.19Å; V442-M445 VanDerWaalsContact O-N 3.15Å; V442-F446 HydrophobicContact CG1-CD2 3.73Å; V442-F446 HydrophobicContact CG1-CE2 4Å; V442-F446 VanDerWaalsContact O-CD2 3.26Å; V442-F446 WeakPolarHBondContact O-CD2 3.19Å; V442-F446 PolarHBondContact O-N 3.47Å; V442-I457 HydrophobicContact CG1-CG2 4.03Å; V442-L458 HydrophobicContact CB-CD2 4.23Å; V442-L458 HydrophobicContact CG1-CD2 3.85Å; V442-V461 HydrophobicContact CG1-CG2 4.28Å; V442-V461 HydrophobicContact CG2-CG1 4.34Å
443	N	84	Confident	85.5	Confident	61 Å²	61	88 Å²	88	33%	0.326	46%	0.46	S	S	.	.	H	α-helix	trans	-59.2	-40.4	176.9	-173	40	0	0	0	111.6	T439 K440 P441 F446 L447 R454 L458	T439-N443 WeakPolarHBondContact O-CB 3.43Å; T439-N443 PolarHBondContact O-N 3.11Å; K440-N443 PolarHBondContact O-N 3.23Å; P441-N443 PolarHBondContact O-N 2.86Å; N443-F446 PolarHBondContact O-N 3.27Å; N443-L447 WeakPolarHBondContact O-CG 3.17Å; N443-L447 PolarHBondContact O-N 3.02Å; N443-R454 WeakPolarHBondContact OD1-CD 3.47Å; N443-L458 HydrophobicContact CB-CD1 4.24Å; N443-L458 HydrophobicContact CB-CD2 4.06Å
444	R	86.2	Confident	85.3	Confident	193 Å²	193	89.2 Å²	89.2	73%	0.728	45%	0.452	S	S	*	.	H	α-helix	trans	-64.4	-42.2	175.7	-73	-175.8	-174.2	-173.5	1.3	112.7	K440 P441 V442 F446 L447	K440-R444 WeakPolarHBondContact O-CG 3.42Å; K440-R444 PolarHBondContact O-N 3.39Å; K440-R444 VanDerWaalsContact O-N 3.13Å; P441-R444 PolarHBondContact O-N 3.23Å; V442-R444 VanDerWaalsContact C-N 3.28Å; V442-R444 PolarHBondContact O-N 3.44Å; R444-F446 VanDerWaalsContact C-N 3.3Å; R444-F446 PolarHBondContact O-N 3.13Å; R444-L447 HydrophobicContact CB-CD1 4.36Å; R444-L447 HydrophobicContact CG-CD1 4.46Å; R444-L447 WeakPolarHBondContact O-CB 3.23Å; R444-L447 WeakPolarHBondContact O-CD1 3.32Å; R444-L447 PolarHBondContact O-N 3.26Å
445	M	85.5	Confident	85.1	Confident	156 Å²	156	94.4 Å²	94.4	77%	0.768	47%	0.47	S	S	*	.	H	α-helix	trans	-67.1	-32.7	-179.3	-163.7	171.5	-173.4	0	0	112.1	P441 V442	P441-M445 WeakPolarHBondContact O-CB 3.41Å; P441-M445 PolarHBondContact O-N 3.31Å; V442-M445 PolarHBondContact O-N 3.19Å; V442-M445 VanDerWaalsContact O-N 3.15Å
446	F	81	Confident	85.3	Confident	47 Å²	47	99.3 Å²	99.3	21%	0.206	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	14.7	179.9	-70.1	-77	0	0	0	114.3	V442 N443 R444 S448 K449 R454 I457	V442-F446 HydrophobicContact CG1-CD2 3.73Å; V442-F446 HydrophobicContact CG1-CE2 4Å; V442-F446 VanDerWaalsContact O-CD2 3.26Å; V442-F446 WeakPolarHBondContact O-CD2 3.19Å; V442-F446 PolarHBondContact O-N 3.47Å; N443-F446 PolarHBondContact O-N 3.27Å; R444-F446 VanDerWaalsContact C-N 3.3Å; R444-F446 PolarHBondContact O-N 3.13Å; F446-S448 PolarHBondContact O-N 3.36Å; F446-K449 HydrophobicContact CD1-CD 3.94Å; F446-K449 HydrophobicContact CD1-CG 4.19Å; F446-K449 HydrophobicContact CE1-CD 4.23Å; F446-K449 PolarHBondContact O-N 3.04Å; F446-R454 HydrophobicContact CB-CG 4.06Å; F446-R454 WeakPolarHBondContact O-CD 3.4Å; F446-I457 HydrophobicContact CD1-CD1 3.7Å; F446-I457 HydrophobicContact CD2-CD1 4.48Å; F446-I457 HydrophobicContact CD2-CG2 4.1Å; F446-I457 HydrophobicContact CE1-CD1 3.46Å; F446-I457 VanDerWaalsContact CE1-CD1 3.46Å; F446-I457 HydrophobicContact CE2-CD1 4.31Å; F446-I457 HydrophobicContact CE2-CG2 3.88Å; F446-I457 HydrophobicContact CG-CD1 4.22Å; F446-I457 HydrophobicContact CZ-CD1 3.8Å; F446-I457 HydrophobicContact CZ-CG2 4.29Å
447	L	79.1	Confident	85.4	Confident	108 Å²	108	97.9 Å²	97.9	57%	0.565	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-31.5	174.2	-85.9	161	0	0	0	112.7	N443 R444	N443-L447 WeakPolarHBondContact O-CG 3.17Å; N443-L447 PolarHBondContact O-N 3.02Å; R444-L447 HydrophobicContact CB-CD1 4.36Å; R444-L447 HydrophobicContact CG-CD1 4.46Å; R444-L447 WeakPolarHBondContact O-CB 3.23Å; R444-L447 WeakPolarHBondContact O-CD1 3.32Å; R444-L447 PolarHBondContact O-N 3.26Å
448	S	79.7	Confident	85.3	Confident	119 Å²	119	96 Å²	96	83%	0.832	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-11.6	-178.1	-176.8	0	0	0	0	114.7	F446	F446-S448 PolarHBondContact O-N 3.36Å
449	K	80.4	Confident	85.4	Confident	117 Å²	117	99.4 Å²	99.4	51%	0.509	48%	0.477	S	S	.	.	S	Bend	trans	-95.5	170.4	-176.7	-67.9	-150.8	-176.6	-171.2	0	112.2	F446 L453	F446-K449 HydrophobicContact CD1-CD 3.94Å; F446-K449 HydrophobicContact CD1-CG 4.19Å; F446-K449 HydrophobicContact CE1-CD 4.23Å; F446-K449 PolarHBondContact O-N 3.04Å; K449-L453 HydrophobicContact CB-CD2 4.42Å; K449-L453 HydrophobicContact CD-CD2 3.54Å
450	S	85.1	Confident	85.6	Confident	72 Å²	72	104.5 Å²	104.5	50%	0.503	49%	0.492	S	S	.	.			trans	-58	146.2	178.6	69.4	0	0	0	0	112.4	H452 L453 R454	S450-H452 VanDerWaalsContact C-N 3.26Å; S450-H452 PolarHBondContact O-N 3.23Å; S450-L453 PolarHBondContact O-N 3.01Å; S450-L453 WeakPolarHBondContact OG-CB 3.46Å; S450-R454 PolarHBondContact O-N 3.15Å
451	K	84.5	Confident	85.7	Confident	158 Å²	158	99.8 Å²	99.8	69%	0.687	48%	0.475	S	S	*	.	H	α-helix	trans	-56.4	-38.3	-176.5	-67.7	178.5	-177.9	173.4	0	112.6	R455	K451-R455 WeakPolarHBondContact O-CG 3.28Å; K451-R455 PolarHBondContact O-N 2.9Å
452	H	87.4	Confident	85.8	Confident	157 Å²	157	98.9 Å²	98.9	73%	0.727	47%	0.468	S	S	*	.	H	α-helix	trans	-69.7	-46.4	180	-70.7	-78.4	0	0	0	112.5	S450 R454 R455 F456	S450-H452 VanDerWaalsContact C-N 3.26Å; S450-H452 PolarHBondContact O-N 3.23Å; H452-R454 VanDerWaalsContact C-N 3.31Å; H452-R454 PolarHBondContact O-N 3.48Å; H452-R455 PolarHBondContact O-N 3.35Å; H452-F456 PolarHBondContact O-N 2.85Å
453	L	85.8	Confident	86	Confident	70 Å²	70	100.1 Å²	100.1	37%	0.366	47%	0.473	S	S	.	.	H	α-helix	trans	-64.3	-39.1	178.8	-175.6	63.9	0	0	0	111.4	K449 S450 R455 F456 I457	K449-L453 HydrophobicContact CB-CD2 4.42Å; K449-L453 HydrophobicContact CD-CD2 3.54Å; S450-L453 PolarHBondContact O-N 3.01Å; S450-L453 WeakPolarHBondContact OG-CB 3.46Å; L453-R455 PolarHBondContact O-N 2.97Å; L453-F456 PolarHBondContact O-N 3.43Å; L453-I457 HydrophobicContact CD1-CD1 4.16Å; L453-I457 HydrophobicContact CD1-CG1 4.36Å; L453-I457 HydrophobicContact CG-CD1 3.9Å; L453-I457 HydrophobicContact CG-CG1 4.47Å; L453-I457 VanDerWaalsContact O-CG1 3.31Å; L453-I457 WeakPolarHBondContact O-CG1 3.38Å; L453-I457 PolarHBondContact O-N 3.28Å
454	R	84.3	Confident	86.2	Confident	66 Å²	66	99.5 Å²	99.5	25%	0.249	48%	0.477	C	S	.	.	H	α-helix	trans	-60.1	-45.1	175	-172.6	177	73.7	-166.2	5.7	112	N443 F446 S450 H452 L458	N443-R454 WeakPolarHBondContact OD1-CD 3.47Å; F446-R454 HydrophobicContact CB-CG 4.06Å; F446-R454 WeakPolarHBondContact O-CD 3.4Å; S450-R454 PolarHBondContact O-N 3.15Å; H452-R454 VanDerWaalsContact C-N 3.31Å; H452-R454 PolarHBondContact O-N 3.48Å; R454-L458 HydrophobicContact CG-CD1 4.06Å; R454-L458 WeakPolarHBondContact O-CB 3.36Å; R454-L458 VanDerWaalsContact O-CG 3.28Å; R454-L458 WeakPolarHBondContact O-CG 2.92Å; R454-L458 PolarHBondContact O-N 3.5Å
455	R	86.2	Confident	86.3	Confident	181 Å²	181	90.6 Å²	90.6	68%	0.683	45%	0.445	S	S	*	.	H	α-helix	trans	-64.5	-41.9	177.1	-74.2	-178.9	-178.1	-176.7	1.2	111.7	K451 H452 L453 L458 F459	K451-R455 WeakPolarHBondContact O-CG 3.28Å; K451-R455 PolarHBondContact O-N 2.9Å; H452-R455 PolarHBondContact O-N 3.35Å; L453-R455 PolarHBondContact O-N 2.97Å; R455-L458 PolarHBondContact O-N 3.24Å; R455-F459 WeakPolarHBondContact O-CB 3.31Å; R455-F459 PolarHBondContact O-N 3.19Å
456	F	90.4	Very high	86.4	Confident	124 Å²	124	87.5 Å²	87.5	54%	0.544	43%	0.431	S	S	.	.	H	α-helix	trans	-62.5	-47.9	177.8	-173.2	-99	0	0	0	112	H452 L453 L458 F459 W460	H452-F456 PolarHBondContact O-N 2.85Å; L453-F456 PolarHBondContact O-N 3.43Å; F456-L458 PolarHBondContact O-N 3.08Å; F456-F459 WeakPolarHBondContact O-CB 3.22Å; F456-F459 PolarHBondContact O-N 3.02Å; F456-W460 AromaticContact CD1-CD1 3.63Å; F456-W460 AromaticContact CD1-NE1 3.88Å; F456-W460 AromaticContact CD2-NE1 3.79Å; F456-W460 AromaticContact CE1-CD1 3.41Å; F456-W460 VanDerWaalsContact CE1-CD1 3.41Å; F456-W460 AromaticContact CE1-NE1 3.31Å; F456-W460 VanDerWaalsContact CE1-NE1 3.31Å; F456-W460 AromaticContact CE2-CD1 3.91Å; F456-W460 AromaticContact CE2-NE1 3.2Å; F456-W460 AromaticContact CG-CD1 3.99Å; F456-W460 AromaticContact CZ-CD1 3.59Å; F456-W460 AromaticContact CZ-NE1 2.95Å; F456-W460 PolarHBondContact O-N 3Å; F456-W460 VanDerWaalsContact O-N 3.1Å
457	I	89.2	Confident	86.8	Confident	35 Å²	35	90.5 Å²	90.5	18%	0.179	45%	0.448	C	S	.	.	H	α-helix	trans	-62.2	-45.9	178.1	-67.5	170.2	0	0	0	110.9	V442 F446 L453 F459 W460 V461	V442-I457 HydrophobicContact CG1-CG2 4.03Å; F446-I457 HydrophobicContact CD1-CD1 3.7Å; F446-I457 HydrophobicContact CD2-CD1 4.48Å; F446-I457 HydrophobicContact CD2-CG2 4.1Å; F446-I457 HydrophobicContact CE1-CD1 3.46Å; F446-I457 VanDerWaalsContact CE1-CD1 3.46Å; F446-I457 HydrophobicContact CE2-CD1 4.31Å; F446-I457 HydrophobicContact CE2-CG2 3.88Å; F446-I457 HydrophobicContact CG-CD1 4.22Å; F446-I457 HydrophobicContact CZ-CD1 3.8Å; F446-I457 HydrophobicContact CZ-CG2 4.29Å; L453-I457 HydrophobicContact CD1-CD1 4.16Å; L453-I457 HydrophobicContact CD1-CG1 4.36Å; L453-I457 HydrophobicContact CG-CD1 3.9Å; L453-I457 HydrophobicContact CG-CG1 4.47Å; L453-I457 VanDerWaalsContact O-CG1 3.31Å; L453-I457 WeakPolarHBondContact O-CG1 3.38Å; L453-I457 PolarHBondContact O-N 3.28Å; I457-F459 VanDerWaalsContact C-N 3.3Å; I457-F459 PolarHBondContact O-N 3.43Å; I457-W460 PolarHBondContact O-N 3.29Å; I457-V461 HydrophobicContact CG2-CG2 4.2Å; I457-V461 WeakPolarHBondContact O-CB 3.16Å; I457-V461 VanDerWaalsContact O-CG2 3.22Å; I457-V461 WeakPolarHBondContact O-CG2 3.37Å; I457-V461 PolarHBondContact O-N 2.9Å
458	L	88	Confident	87.3	Confident	33 Å²	33	89.4 Å²	89.4	17%	0.173	45%	0.446	C	S	.	.	H	α-helix	trans	-60.9	-40.2	177.9	-74.1	170	0	0	0	112.1	V442 N443 R454 R455 F456 V461 V462	V442-L458 HydrophobicContact CB-CD2 4.23Å; V442-L458 HydrophobicContact CG1-CD2 3.85Å; N443-L458 HydrophobicContact CB-CD1 4.24Å; N443-L458 HydrophobicContact CB-CD2 4.06Å; R454-L458 HydrophobicContact CG-CD1 4.06Å; R454-L458 WeakPolarHBondContact O-CB 3.36Å; R454-L458 VanDerWaalsContact O-CG 3.28Å; R454-L458 WeakPolarHBondContact O-CG 2.92Å; R454-L458 PolarHBondContact O-N 3.5Å; R455-L458 PolarHBondContact O-N 3.24Å; F456-L458 PolarHBondContact O-N 3.08Å; L458-V461 PolarHBondContact O-N 3.33Å; L458-V462 VanDerWaalsContact O-CG2 3.27Å; L458-V462 WeakPolarHBondContact O-CG2 3.26Å; L458-V462 PolarHBondContact O-N 2.85Å
459	F	89.4	Confident	87.7	Confident	126 Å²	126	84.7 Å²	84.7	55%	0.553	41%	0.41	S	S	*	.	H	α-helix	trans	-59.7	-50.3	176.5	178.6	-102.3	0	0	0	111.8	R455 F456 I457 V461 V462 I463	R455-F459 WeakPolarHBondContact O-CB 3.31Å; R455-F459 PolarHBondContact O-N 3.19Å; F456-F459 WeakPolarHBondContact O-CB 3.22Å; F456-F459 PolarHBondContact O-N 3.02Å; I457-F459 VanDerWaalsContact C-N 3.3Å; I457-F459 PolarHBondContact O-N 3.43Å; F459-V461 VanDerWaalsContact C-N 3.34Å; F459-V461 PolarHBondContact O-N 2.97Å; F459-V462 PolarHBondContact O-N 3.32Å; F459-I463 HydrophobicContact CD1-CD1 3.72Å; F459-I463 HydrophobicContact CD2-CD1 4.42Å; F459-I463 HydrophobicContact CE1-CD1 3.23Å; F459-I463 HydrophobicContact CE1-CG1 4.48Å; F459-I463 HydrophobicContact CE2-CD1 4Å; F459-I463 HydrophobicContact CG-CD1 4.31Å; F459-I463 HydrophobicContact CZ-CD1 3.41Å; F459-I463 VanDerWaalsContact CZ-CD1 3.41Å; F459-I463 HydrophobicContact CZ-CG1 4.49Å; F459-I463 WeakPolarHBondContact O-CG1 3.02Å; F459-I463 PolarHBondContact O-N 3.47Å
460	W	90	Very high	88.1	Confident	138 Å²	138	81.9 Å²	81.9	52%	0.523	40%	0.404	S	S	.	.	H	α-helix	trans	-65.5	-35.5	177.6	-75.5	107.7	0	0	0	113.3	F456 I457 I463 A464	F456-W460 AromaticContact CD1-CD1 3.63Å; F456-W460 AromaticContact CD1-NE1 3.88Å; F456-W460 AromaticContact CD2-NE1 3.79Å; F456-W460 AromaticContact CE1-CD1 3.41Å; F456-W460 VanDerWaalsContact CE1-CD1 3.41Å; F456-W460 AromaticContact CE1-NE1 3.31Å; F456-W460 VanDerWaalsContact CE1-NE1 3.31Å; F456-W460 AromaticContact CE2-CD1 3.91Å; F456-W460 AromaticContact CE2-NE1 3.2Å; F456-W460 AromaticContact CG-CD1 3.99Å; F456-W460 AromaticContact CZ-CD1 3.59Å; F456-W460 AromaticContact CZ-NE1 2.95Å; F456-W460 PolarHBondContact O-N 3Å; F456-W460 VanDerWaalsContact O-N 3.1Å; I457-W460 PolarHBondContact O-N 3.29Å; W460-I463 PolarHBondContact O-N 3.37Å; W460-A464 VanDerWaalsContact O-CB 3.26Å; W460-A464 WeakPolarHBondContact O-CB 3.36Å; W460-A464 PolarHBondContact O-N 3.19Å
461	V	89.5	Confident	88.3	Confident	36 Å²	36	82.9 Å²	82.9	22%	0.218	41%	0.406	C	S	.	.	H	α-helix	trans	-66	-39.8	175.2	166.6	0	0	0	0	111.5	I438 V442 I457 L458 F459 G465	I438-V461 HydrophobicContact CB-CG1 4.44Å; I438-V461 HydrophobicContact CG2-CG1 3.45Å; I438-V461 VanDerWaalsContact CG2-CG1 3.45Å; V442-V461 HydrophobicContact CG1-CG2 4.28Å; V442-V461 HydrophobicContact CG2-CG1 4.34Å; I457-V461 HydrophobicContact CG2-CG2 4.2Å; I457-V461 WeakPolarHBondContact O-CB 3.16Å; I457-V461 VanDerWaalsContact O-CG2 3.22Å; I457-V461 WeakPolarHBondContact O-CG2 3.37Å; I457-V461 PolarHBondContact O-N 2.9Å; L458-V461 PolarHBondContact O-N 3.33Å; F459-V461 VanDerWaalsContact C-N 3.34Å; F459-V461 PolarHBondContact O-N 2.97Å; V461-G465 PolarHBondContact O-N 3.22Å
462	V	90.3	Very high	88.6	Confident	52 Å²	52	80 Å²	80	32%	0.315	40%	0.398	S	S	.	.	H	α-helix	trans	-65.3	-46	174.9	171.2	0	0	0	0	110.6	T439 L458 F459 G465 L466	T439-V462 HydrophobicContact CG2-CG2 3.4Å; T439-V462 VanDerWaalsContact CG2-CG2 3.4Å; L458-V462 VanDerWaalsContact O-CG2 3.27Å; L458-V462 WeakPolarHBondContact O-CG2 3.26Å; L458-V462 PolarHBondContact O-N 2.85Å; F459-V462 PolarHBondContact O-N 3.32Å; V462-G465 PolarHBondContact O-N 2.82Å; V462-L466 HydrophobicContact CG1-CD1 4.01Å; V462-L466 HydrophobicContact CG1-CG 4.39Å; V462-L466 WeakPolarHBondContact O-CG 3.12Å; V462-L466 PolarHBondContact O-N 3.11Å
463	I	90	Very high	88.7	Confident	53 Å²	53	73 Å²	73	27%	0.272	37%	0.367	S	S	.	.	H	α-helix	trans	-60.4	-48.7	177.1	-70.3	174.8	0	0	0	111	F459 W460 G465 L466 I467	F459-I463 HydrophobicContact CD1-CD1 3.72Å; F459-I463 HydrophobicContact CD2-CD1 4.42Å; F459-I463 HydrophobicContact CE1-CD1 3.23Å; F459-I463 HydrophobicContact CE1-CG1 4.48Å; F459-I463 HydrophobicContact CE2-CD1 4Å; F459-I463 HydrophobicContact CG-CD1 4.31Å; F459-I463 HydrophobicContact CZ-CD1 3.41Å; F459-I463 VanDerWaalsContact CZ-CD1 3.41Å; F459-I463 HydrophobicContact CZ-CG1 4.49Å; F459-I463 WeakPolarHBondContact O-CG1 3.02Å; F459-I463 PolarHBondContact O-N 3.47Å; W460-I463 PolarHBondContact O-N 3.37Å; I463-G465 VanDerWaalsContact C-N 3.29Å; I463-G465 PolarHBondContact O-N 3.07Å; I463-L466 PolarHBondContact O-N 2.93Å; I463-I467 HydrophobicContact CG2-CD1 3.8Å; I463-I467 WeakPolarHBondContact O-CG1 3.42Å; I463-I467 PolarHBondContact O-N 3.49Å; I463-I467 VanDerWaalsContact O-N 3.08Å
464	A	89.2	Confident	88.9	Confident	49 Å²	49	72.7 Å²	72.7	41%	0.405	37%	0.374	S	S	.	.	H	α-helix	trans	-59.6	-41.8	176.8	0	0	0	0	0	111.2	W460 I467 V468	W460-A464 VanDerWaalsContact O-CB 3.26Å; W460-A464 WeakPolarHBondContact O-CB 3.36Å; W460-A464 PolarHBondContact O-N 3.19Å; A464-I467 PolarHBondContact O-N 3.43Å; A464-V468 VanDerWaalsContact O-CB 3.28Å; A464-V468 WeakPolarHBondContact O-CB 3.3Å; A464-V468 VanDerWaalsContact O-CG2 3.25Å; A464-V468 WeakPolarHBondContact O-CG2 3.44Å; A464-V468 PolarHBondContact O-N 3.3Å
465	G	88.3	Confident	89.3	Confident	6 Å²	6	73.6 Å²	73.6	6%	0.062	39%	0.386	C	S	.	.	H	α-helix	trans	-61.1	-43.8	174.8	0	0	0	0	0	113	V461 V462 I463 I467 F469	V461-G465 PolarHBondContact O-N 3.22Å; V462-G465 PolarHBondContact O-N 2.82Å; I463-G465 VanDerWaalsContact C-N 3.29Å; I463-G465 PolarHBondContact O-N 3.07Å; G465-I467 VanDerWaalsContact C-N 3.28Å; G465-I467 PolarHBondContact O-N 2.86Å; G465-F469 WeakPolarHBondContact O-CB 3.44Å; G465-F469 PolarHBondContact O-N 3.42Å; G465-F469 VanDerWaalsContact O-N 3.09Å
466	L	87.1	Confident	89.6	Confident	91 Å²	91	68.3 Å²	68.3	48%	0.476	37%	0.374	S	S	.	.	H	α-helix	trans	-67.9	-24.1	178.6	-72.9	174	0	0	0	113.6	T435 V462 I463 P470	T435-L466 HydrophobicContact CG2-CD2 3.97Å; T435-L466 HydrophobicContact CG2-CG 4.13Å; V462-L466 HydrophobicContact CG1-CD1 4.01Å; V462-L466 HydrophobicContact CG1-CG 4.39Å; V462-L466 WeakPolarHBondContact O-CG 3.12Å; V462-L466 PolarHBondContact O-N 3.11Å; I463-L466 PolarHBondContact O-N 2.93Å; L466-P470 WeakPolarHBondContact O-CD 3.38Å; L466-P470 WeakPolarHBondContact O-CG 3.28Å
467	I	88.3	Confident	89.6	Confident	110 Å²	110	64.4 Å²	64.4	56%	0.564	36%	0.357	S	S	*	.	H	α-helix	trans	-91.8	-50	178.3	-63.9	168.4	0	0	0	111.2	I463 A464 G465 P470 V471	I463-I467 HydrophobicContact CG2-CD1 3.8Å; I463-I467 WeakPolarHBondContact O-CG1 3.42Å; I463-I467 PolarHBondContact O-N 3.49Å; I463-I467 VanDerWaalsContact O-N 3.08Å; A464-I467 PolarHBondContact O-N 3.43Å; G465-I467 VanDerWaalsContact C-N 3.28Å; G465-I467 PolarHBondContact O-N 2.86Å; I467-P470 WeakPolarHBondContact O-CD 3.04Å; I467-V471 WeakPolarHBondContact O-CG2 3.3Å
468	V	89.4	Confident	89.7	Confident	85 Å²	85	64.8 Å²	64.8	52%	0.515	37%	0.37	S	S	.	.	H	α-helix	trans	-70.8	-37.4	-173.8	175.6	0	0	0	0	111.3	A464 V471 L472	A464-V468 VanDerWaalsContact O-CB 3.28Å; A464-V468 WeakPolarHBondContact O-CB 3.3Å; A464-V468 VanDerWaalsContact O-CG2 3.25Å; A464-V468 WeakPolarHBondContact O-CG2 3.44Å; A464-V468 PolarHBondContact O-N 3.3Å; V468-V471 PolarHBondContact O-N 3.04Å; V468-L472 PolarHBondContact O-N 2.98Å
469	F	89.4	Confident	90	Very high	20 Å²	20	69.2 Å²	69.2	9%	0.088	39%	0.393	C	S	.	.	H	α-helix	trans	-66.2	-49.7	-175	-178.1	-91.4	0	0	0	113.1	L430 F434 G465 V471 L472 T473	L430-F469 HydrophobicContact CB-CE1 3.71Å; L430-F469 HydrophobicContact CB-CE2 4.47Å; L430-F469 HydrophobicContact CB-CZ 3.36Å; F434-F469 HydrophobicContact CB-CD2 3.53Å; F434-F469 HydrophobicContact CB-CE2 3.74Å; F434-F469 HydrophobicContact CB-CG 4.05Å; F434-F469 HydrophobicContact CB-CZ 4.41Å; F434-F469 HydrophobicContact CD1-CB 3.71Å; F434-F469 AromaticContact CD1-CD2 3.46Å; F434-F469 HydrophobicContact CD1-CD2 3.46Å; F434-F469 VanDerWaalsContact CD1-CD2 3.46Å; F434-F469 HydrophobicContact CD1-CE2 4.42Å; F434-F469 AromaticContact CD1-CG 3.82Å; F434-F469 HydrophobicContact CD1-CG 3.82Å; F434-F469 AromaticContact CD2-CD2 3.78Å; F434-F469 HydrophobicContact CD2-CD2 3.78Å; F434-F469 HydrophobicContact CD2-CE2 4.07Å; F434-F469 HydrophobicContact CE1-CB 4.03Å; F434-F469 AromaticContact CE1-CD2 3.96Å; F434-F469 HydrophobicContact CE1-CD2 3.96Å; F434-F469 HydrophobicContact CE1-CG 4.42Å; F434-F469 HydrophobicContact CE2-CD2 4.27Å; F434-F469 HydrophobicContact CG-CB 4.42Å; F434-F469 AromaticContact CG-CD2 3.32Å; F434-F469 HydrophobicContact CG-CD2 3.32Å; F434-F469 AromaticContact CG-CE2 3.85Å; F434-F469 HydrophobicContact CG-CE2 3.85Å; F434-F469 HydrophobicContact CG-CG 4.03Å; F434-F469 HydrophobicContact CZ-CD2 4.33Å; G465-F469 WeakPolarHBondContact O-CB 3.44Å; G465-F469 PolarHBondContact O-N 3.42Å; G465-F469 VanDerWaalsContact O-N 3.09Å; F469-V471 VanDerWaalsContact C-N 3.28Å; F469-V471 PolarHBondContact O-N 3.19Å; F469-L472 PolarHBondContact O-N 3.29Å; F469-T473 HydrophobicContact CD1-CG2 3.99Å; F469-T473 HydrophobicContact CD2-CG2 4.44Å; F469-T473 HydrophobicContact CE1-CG2 3.3Å; F469-T473 HydrophobicContact CE2-CG2 3.83Å; F469-T473 HydrophobicContact CG-CG2 4.49Å; F469-T473 HydrophobicContact CZ-CG2 3.16Å; F469-T473 PolarHBondContact O-N 3.31Å; F469-T473 PolarHBondContact O-OG1 3.43Å
470	P	87.9	Confident	90.2	Very high	58 Å²	58	67.7 Å²	67.7	38%	0.377	39%	0.39	S	S	.	.	H	α-helix	trans	-55.9	-41.2	175.1	-28.7	37.8	0	0	0	113.1	L466 I467 T473 A474	L466-P470 WeakPolarHBondContact O-CD 3.38Å; L466-P470 WeakPolarHBondContact O-CG 3.28Å; I467-P470 WeakPolarHBondContact O-CD 3.04Å; P470-T473 VanDerWaalsContact CA-OG1 3.29Å; P470-T473 WeakPolarHBondContact CA-OG1 3.42Å; P470-T473 PolarHBondContact O-N 3.28Å; P470-T473 PolarHBondContact O-OG1 3.07Å; P470-A474 VanDerWaalsContact O-CB 3.29Å; P470-A474 WeakPolarHBondContact O-CB 3.25Å; P470-A474 PolarHBondContact O-N 2.84Å
471	V	90	Very high	90.3	Very high	92 Å²	92	63.4 Å²	63.4	56%	0.558	38%	0.377	S	S	*	.	H	α-helix	trans	-62.1	-48	177.6	176.6	0	0	0	0	110.9	I467 V468 F469 T473 A474 V475	I467-V471 WeakPolarHBondContact O-CG2 3.3Å; V468-V471 PolarHBondContact O-N 3.04Å; F469-V471 VanDerWaalsContact C-N 3.28Å; F469-V471 PolarHBondContact O-N 3.19Å; V471-T473 PolarHBondContact O-N 3.05Å; V471-A474 PolarHBondContact O-N 2.66Å; V471-V475 WeakPolarHBondContact O-CG2 3.33Å; V471-V475 PolarHBondContact O-N 2.85Å
472	L	91.1	Very high	90.6	Very high	99 Å²	99	65.4 Å²	65.4	52%	0.518	39%	0.391	S	S	.	.	H	α-helix	trans	-61.7	-44.6	177.7	-173.2	66.2	0	0	0	111.2	V468 F469 A474 V475 T476	V468-L472 PolarHBondContact O-N 2.98Å; F469-L472 PolarHBondContact O-N 3.29Å; L472-A474 PolarHBondContact O-N 2.91Å; L472-V475 PolarHBondContact O-N 2.89Å; L472-T476 WeakPolarHBondContact O-CG2 3.49Å; L472-T476 PolarHBondContact O-N 3.35Å; L472-T476 PolarHBondContact O-OG1 3.46Å
473	T	89.7	Confident	90.7	Very high	10 Å²	10	67.8 Å²	67.8	6%	0.061	41%	0.405	C	S	.	.	H	α-helix	trans	-62.2	-44	176.8	53.1	0	0	0	0	112.1	L427 F469 P470 V471 V475 T476 F477	L427-T473 HydrophobicContact CD2-CG2 4.36Å; L427-T473 WeakPolarHBondContact CD2-OG1 3.44Å; F469-T473 HydrophobicContact CD1-CG2 3.99Å; F469-T473 HydrophobicContact CD2-CG2 4.44Å; F469-T473 HydrophobicContact CE1-CG2 3.3Å; F469-T473 HydrophobicContact CE2-CG2 3.83Å; F469-T473 HydrophobicContact CG-CG2 4.49Å; F469-T473 HydrophobicContact CZ-CG2 3.16Å; F469-T473 PolarHBondContact O-N 3.31Å; F469-T473 PolarHBondContact O-OG1 3.43Å; P470-T473 VanDerWaalsContact CA-OG1 3.29Å; P470-T473 WeakPolarHBondContact CA-OG1 3.42Å; P470-T473 PolarHBondContact O-N 3.28Å; P470-T473 PolarHBondContact O-OG1 3.07Å; V471-T473 PolarHBondContact O-N 3.05Å; T473-V475 VanDerWaalsContact C-N 3.33Å; T473-V475 PolarHBondContact O-N 3.49Å; T473-T476 WeakPolarHBondContact CA-OG1 3.27Å; T473-T476 PolarHBondContact O-N 3Å; T473-T476 VanDerWaalsContact O-N 3.15Å; T473-T476 PolarHBondContact O-OG1 3.19Å; T473-F477 WeakPolarHBondContact O-CD2 3.2Å; T473-F477 PolarHBondContact O-N 3.31Å
474	A	89	Confident	90.9	Very high	63 Å²	63	67.5 Å²	67.5	52%	0.521	41%	0.406	S	S	.	.	H	α-helix	trans	-60.5	-42.3	178.8	0	0	0	0	0	111.6	P470 V471 L472 G478	P470-A474 VanDerWaalsContact O-CB 3.29Å; P470-A474 WeakPolarHBondContact O-CB 3.25Å; P470-A474 PolarHBondContact O-N 2.84Å; V471-A474 PolarHBondContact O-N 2.66Å; L472-A474 PolarHBondContact O-N 2.91Å; A474-G478 PolarHBondContact O-N 3.44Å
475	V	92.8	Very high	91.1	Very high	84 Å²	84	68.3 Å²	68.3	51%	0.509	40%	0.403	S	S	.	.	H	α-helix	trans	-62.1	-46.2	174.2	173.7	0	0	0	0	111	V471 L472 T473 G478 L479	V471-V475 WeakPolarHBondContact O-CG2 3.33Å; V471-V475 PolarHBondContact O-N 2.85Å; L472-V475 PolarHBondContact O-N 2.89Å; T473-V475 VanDerWaalsContact C-N 3.33Å; T473-V475 PolarHBondContact O-N 3.49Å; V475-G478 PolarHBondContact O-N 2.93Å; V475-L479 WeakPolarHBondContact O-CG 3.48Å; V475-L479 PolarHBondContact O-N 3.09Å; V475-L479 VanDerWaalsContact O-N 3.11Å
476	T	91.6	Very high	91.3	Very high	70 Å²	70	69.2 Å²	69.2	43%	0.429	41%	0.413	S	S	.	.	H	α-helix	trans	-64	-44.9	179.9	57.3	0	0	0	0	112.9	L472 T473 G478 L479 L480	L472-T476 WeakPolarHBondContact O-CG2 3.49Å; L472-T476 PolarHBondContact O-N 3.35Å; L472-T476 PolarHBondContact O-OG1 3.46Å; T473-T476 WeakPolarHBondContact CA-OG1 3.27Å; T473-T476 PolarHBondContact O-N 3Å; T473-T476 VanDerWaalsContact O-N 3.15Å; T473-T476 PolarHBondContact O-OG1 3.19Å; T476-G478 VanDerWaalsContact C-N 3.34Å; T476-L479 PolarHBondContact O-N 2.89Å; T476-L480 WeakPolarHBondContact O-CB 3.4Å; T476-L480 PolarHBondContact O-N 3.35Å
477	F	92.2	Very high	91.5	Very high	43 Å²	43	69.1 Å²	69.1	19%	0.189	41%	0.406	C	S	.	.	H	α-helix	trans	-68	-35.6	176.1	-76.1	-68.7	0	0	0	111.4	I423 L427 T473 L479 L480 I481	I423-F477 HydrophobicContact CD1-CD1 4.5Å; I423-F477 HydrophobicContact CG1-CD1 4.2Å; I423-F477 HydrophobicContact CG1-CE1 4.15Å; L427-F477 HydrophobicContact CD2-CD2 3.95Å; L427-F477 HydrophobicContact CD2-CE2 3.74Å; L427-F477 HydrophobicContact CG-CE2 4.45Å; T473-F477 WeakPolarHBondContact O-CD2 3.2Å; T473-F477 PolarHBondContact O-N 3.31Å; F477-L479 VanDerWaalsContact C-N 3.26Å; F477-L479 PolarHBondContact O-N 3.19Å; F477-L480 PolarHBondContact O-N 2.87Å; F477-I481 HydrophobicContact CB-CD1 4.06Å; F477-I481 VanDerWaalsContact O-CB 3.3Å; F477-I481 WeakPolarHBondContact O-CB 3.29Å; F477-I481 WeakPolarHBondContact O-CD1 3.37Å; F477-I481 WeakPolarHBondContact O-CG1 3.42Å; F477-I481 PolarHBondContact O-N 3.32Å
478	G	91.4	Very high	91.7	Very high	43 Å²	43	64.2 Å²	64.2	44%	0.443	38%	0.382	S	S	.	.	H	α-helix	trans	-60.2	-33.4	174.4	0	0	0	0	0	113.6	A474 V475 T476 P482	A474-G478 PolarHBondContact O-N 3.44Å; V475-G478 PolarHBondContact O-N 2.93Å; T476-G478 VanDerWaalsContact C-N 3.34Å; G478-P482 WeakPolarHBondContact O-CD 3.32Å; G478-P482 WeakPolarHBondContact O-CG 3.41Å
479	L	93.9	Very high	91.9	Very high	126 Å²	126	64.5 Å²	64.5	66%	0.66	37%	0.374	S	S	*	.	H	α-helix	trans	-82	-36.4	173.4	-64.9	176.6	0	0	0	112.8	V475 T476 F477	V475-L479 WeakPolarHBondContact O-CG 3.48Å; V475-L479 PolarHBondContact O-N 3.09Å; V475-L479 VanDerWaalsContact O-N 3.11Å; T476-L479 PolarHBondContact O-N 2.89Å; F477-L479 VanDerWaalsContact C-N 3.26Å; F477-L479 PolarHBondContact O-N 3.19Å
480	L	92.7	Very high	92.1	Very high	94 Å²	94	69 Å²	69	49%	0.492	40%	0.399	S	S	.	.	H	α-helix	trans	-76.8	-40.4	-175.2	-175.1	64.5	0	0	0	113	T476 F477 V483 V484	T476-L480 WeakPolarHBondContact O-CB 3.4Å; T476-L480 PolarHBondContact O-N 3.35Å; F477-L480 PolarHBondContact O-N 2.87Å; L480-V483 PolarHBondContact O-N 2.72Å; L480-V484 HydrophobicContact CD1-CG2 4.16Å; L480-V484 HydrophobicContact CG-CG2 4.09Å; L480-V484 WeakPolarHBondContact O-CG2 3.29Å; L480-V484 PolarHBondContact O-N 2.84Å
481	I	93.5	Very high	92.2	Very high	48 Å²	48	70.4 Å²	70.4	25%	0.246	40%	0.397	C	S	.	.	H	α-helix	trans	-58.5	-48.5	-175.5	-69.8	164.3	0	0	0	111.6	L419 I423 F477 V483 V484 L485	L419-I481 HydrophobicContact CD2-CG1 4.35Å; L419-I481 HydrophobicContact CD2-CG2 4.22Å; I423-I481 HydrophobicContact CD1-CD1 3.84Å; I423-I481 HydrophobicContact CD1-CG1 4.31Å; F477-I481 HydrophobicContact CB-CD1 4.06Å; F477-I481 VanDerWaalsContact O-CB 3.3Å; F477-I481 WeakPolarHBondContact O-CB 3.29Å; F477-I481 WeakPolarHBondContact O-CD1 3.37Å; F477-I481 WeakPolarHBondContact O-CG1 3.42Å; F477-I481 PolarHBondContact O-N 3.32Å; I481-V483 VanDerWaalsContact C-N 3.3Å; I481-V483 PolarHBondContact O-N 3.15Å; I481-V484 PolarHBondContact O-N 2.79Å; I481-L485 HydrophobicContact CG2-CD1 3.64Å; I481-L485 HydrophobicContact CG2-CG 4.05Å; I481-L485 WeakPolarHBondContact O-CB 3.43Å; I481-L485 VanDerWaalsContact O-CG 3.26Å; I481-L485 WeakPolarHBondContact O-CG 3.28Å; I481-L485 PolarHBondContact O-N 3.39Å
482	P	94	Very high	92.2	Very high	78 Å²	78	66.1 Å²	66.1	51%	0.506	37%	0.371	S	S	.	.	H	α-helix	trans	-60	-37.5	177.3	-24.8	34.9	0	0	0	113.4	G478 G486	G478-P482 WeakPolarHBondContact O-CD 3.32Å; G478-P482 WeakPolarHBondContact O-CG 3.41Å; P482-G486 PolarHBondContact O-N 2.85Å
483	V	94.2	Very high	92.1	Very high	102 Å²	102	63.6 Å²	63.6	62%	0.618	36%	0.36	S	S	*	.	H	α-helix	trans	-66.5	-44.8	177.8	177.6	0	0	0	0	110.7	L480 I481 G486 Y487	L480-V483 PolarHBondContact O-N 2.72Å; I481-V483 VanDerWaalsContact C-N 3.3Å; I481-V483 PolarHBondContact O-N 3.15Å; V483-G486 PolarHBondContact O-N 3.33Å; V483-Y487 WeakPolarHBondContact O-CB 3.43Å; V483-Y487 PolarHBondContact O-N 3.29Å
484	V	92.6	Very high	92	Very high	46 Å²	46	67 Å²	67	28%	0.279	38%	0.377	S	S	.	.	H	α-helix	trans	-64.9	-44.5	177.1	174.5	0	0	0	0	110.9	L419 L480 I481 Y487 V488	L419-V484 HydrophobicContact CD1-CG1 4.13Å; L480-V484 HydrophobicContact CD1-CG2 4.16Å; L480-V484 HydrophobicContact CG-CG2 4.09Å; L480-V484 WeakPolarHBondContact O-CG2 3.29Å; L480-V484 PolarHBondContact O-N 2.84Å; I481-V484 PolarHBondContact O-N 2.79Å; V484-Y487 PolarHBondContact O-N 2.83Å; V484-V488 HydrophobicContact CG1-CG2 4.27Å; V484-V488 WeakPolarHBondContact O-CB 3.27Å; V484-V488 VanDerWaalsContact O-CG2 3.28Å; V484-V488 WeakPolarHBondContact O-CG2 3.3Å; V484-V488 PolarHBondContact O-N 3Å
485	L	94	Very high	91.9	Very high	66 Å²	66	64.7 Å²	64.7	35%	0.346	36%	0.358	S	S	.	.	H	α-helix	trans	-63.5	-41.8	176.9	-68.7	176.5	0	0	0	111.7	I481 V488 Y489	I481-L485 HydrophobicContact CG2-CD1 3.64Å; I481-L485 HydrophobicContact CG2-CG 4.05Å; I481-L485 WeakPolarHBondContact O-CB 3.43Å; I481-L485 VanDerWaalsContact O-CG 3.26Å; I481-L485 WeakPolarHBondContact O-CG 3.28Å; I481-L485 PolarHBondContact O-N 3.39Å; L485-V488 PolarHBondContact O-N 3.37Å; L485-Y489 HydrophobicContact CB-CD2 4.37Å; L485-Y489 HydrophobicContact CD2-CD2 3.93Å; L485-Y489 HydrophobicContact CD2-CE2 3.59Å; L485-Y489 WeakPolarHBondContact O-CB 3.49Å; L485-Y489 WeakPolarHBondContact O-CD2 3.26Å; L485-Y489 PolarHBondContact O-N 3.42Å
486	G	93.2	Very high	91.7	Very high	26 Å²	26	61.7 Å²	61.7	27%	0.268	34%	0.338	S	S	.	.	H	α-helix	trans	-63.1	-41.4	174.2	0	0	0	0	0	112.3	P482 V483 L490 Y491	P482-G486 PolarHBondContact O-N 2.85Å; V483-G486 PolarHBondContact O-N 3.33Å; G486-L490 WeakPolarHBondContact O-CA 3.49Å; G486-L490 WeakPolarHBondContact O-CB 3.39Å; G486-L490 PolarHBondContact O-N 3Å; G486-Y491 PolarHBondContact O-N 3.49Å; G486-Y491 VanDerWaalsContact O-N 3.08Å
487	Y	91.8	Very high	91.5	Very high	88 Å²	88	64.6 Å²	64.6	35%	0.345	35%	0.345	S	S	.	.	I	π-helix	trans	-62.8	-49.7	174.8	-179	-97.6	0	0	0	111.8	V483 V484 Y491 L492	V483-Y487 WeakPolarHBondContact O-CB 3.43Å; V483-Y487 PolarHBondContact O-N 3.29Å; V484-Y487 PolarHBondContact O-N 2.83Å; Y487-Y491 AromaticContact CD2-CD1 3.77Å; Y487-Y491 HydrophobicContact CD2-CD1 3.77Å; Y487-Y491 HydrophobicContact CD2-CE1 4.49Å; Y487-Y491 HydrophobicContact CD2-CG 4.2Å; Y487-Y491 AromaticContact CE2-CD1 3.49Å; Y487-Y491 HydrophobicContact CE2-CD1 3.49Å; Y487-Y491 VanDerWaalsContact CE2-CD1 3.49Å; Y487-Y491 AromaticContact CE2-CE1 3.86Å; Y487-Y491 HydrophobicContact CE2-CE1 3.86Å; Y487-Y491 HydrophobicContact CE2-CG 4.34Å; Y487-Y491 VanDerWaalsContact O-CB 3.3Å; Y487-Y491 WeakPolarHBondContact O-CB 3.13Å; Y487-Y491 PolarHBondContact O-N 3.11Å; Y487-L492 HydrophobicContact CD1-CD1 4.34Å; Y487-L492 HydrophobicContact CD1-CG 4.25Å; Y487-L492 HydrophobicContact CE1-CD1 4.04Å; Y487-L492 HydrophobicContact CE1-CD2 3.84Å; Y487-L492 HydrophobicContact CE1-CG 3.95Å; Y487-L492 WeakPolarHBondContact O-CG 3.31Å; Y487-L492 PolarHBondContact O-N 3.33Å
488	V	92.6	Very high	91.2	Very high	8 Å²	8	70.2 Å²	70.2	5%	0.048	37%	0.365	C	S	.	.	I	π-helix	trans	-64.9	-62.3	-179.2	169	0	0	0	0	109.7	I411 M412 T415 V484 L485 L492 P493	I411-V488 HydrophobicContact CG2-CG1 4.31Å; I411-V488 HydrophobicContact CG2-CG2 4.39Å; M412-V488 VanDerWaalsContact CE-C 3.47Å; M412-V488 HydrophobicContact CE-CB 4.12Å; M412-V488 HydrophobicContact CE-CG1 3.28Å; M412-V488 WeakPolarHBondContact CE-O 3.24Å; M412-V488 HydrophobicContact SD-CG1 3.64Å; T415-V488 HydrophobicContact CG2-CG1 4.11Å; T415-V488 HydrophobicContact CG2-CG2 4.34Å; T415-V488 WeakPolarHBondContact OG1-CG1 3.09Å; V484-V488 HydrophobicContact CG1-CG2 4.27Å; V484-V488 WeakPolarHBondContact O-CB 3.27Å; V484-V488 VanDerWaalsContact O-CG2 3.28Å; V484-V488 WeakPolarHBondContact O-CG2 3.3Å; V484-V488 PolarHBondContact O-N 3Å; L485-V488 PolarHBondContact O-N 3.37Å; V488-L492 WeakPolarHBondContact O-CB 3.05Å; V488-P493 WeakPolarHBondContact O-CD 3.44Å
489	Y	93.3	Very high	90.8	Very high	90 Å²	90	68.6 Å²	68.6	35%	0.353	35%	0.347	S	S	.	.	I	π-helix	trans	-84.9	-18.5	-167.8	-66.2	-75.5	0	0	0	115.4	M412 T415 P416 L485 P493	M412-Y489 HydrophobicContact CB-CE1 4.29Å; M412-Y489 PolarHBondContact O-OH 2.92Å; M412-Y489 HydrophobicContact SD-CD1 3.47Å; M412-Y489 WeakPolarHBondContact SD-CD1 3.46Å; M412-Y489 HydrophobicContact SD-CE1 3.8Å; M412-Y489 HydrophobicContact SD-CG 4.13Å; T415-Y489 HydrophobicContact CG2-CE2 4.43Å; P416-Y489 VanDerWaalsContact CD-OH 3.31Å; P416-Y489 WeakPolarHBondContact CD-OH 3.49Å; L485-Y489 HydrophobicContact CB-CD2 4.37Å; L485-Y489 HydrophobicContact CD2-CD2 3.93Å; L485-Y489 HydrophobicContact CD2-CE2 3.59Å; L485-Y489 WeakPolarHBondContact O-CB 3.49Å; L485-Y489 WeakPolarHBondContact O-CD2 3.26Å; L485-Y489 PolarHBondContact O-N 3.42Å; Y489-P493 WeakPolarHBondContact O-CG 3.21Å
490	L	92	Very high	90.3	Very high	115 Å²	115	64.7 Å²	64.7	60%	0.602	33%	0.327	S	S	*	.	I	π-helix	trans	-106.7	-59.5	176.5	-54.4	170.3	0	0	0	111	G486 I494	G486-L490 WeakPolarHBondContact O-CA 3.49Å; G486-L490 WeakPolarHBondContact O-CB 3.39Å; G486-L490 PolarHBondContact O-N 3Å; L490-I494 WeakPolarHBondContact O-CB 3.37Å; L490-I494 VanDerWaalsContact O-CD1 3.29Å; L490-I494 WeakPolarHBondContact O-CD1 3.41Å; L490-I494 WeakPolarHBondContact O-CG1 3.46Å; L490-I494 PolarHBondContact O-N 3.02Å
491	Y	90.7	Very high	89.9	Confident	88 Å²	88	64.1 Å²	64.1	35%	0.345	32%	0.323	S	S	.	.	I	π-helix	trans	-66.1	-47.3	-170.3	-174.6	-99.3	0	0	0	113	N387 G486 Y487 I494 S495	N387-Y491 PolarHBondContact ND2-OH 2.87Å; N387-Y491 VanDerWaalsContact OD1-CE1 3.25Å; N387-Y491 WeakPolarHBondContact OD1-CE1 3.18Å; N387-Y491 VanDerWaalsContact OD1-CZ 3.32Å; N387-Y491 PolarHBondContact OD1-OH 2.83Å; G486-Y491 PolarHBondContact O-N 3.49Å; G486-Y491 VanDerWaalsContact O-N 3.08Å; Y487-Y491 AromaticContact CD2-CD1 3.77Å; Y487-Y491 HydrophobicContact CD2-CD1 3.77Å; Y487-Y491 HydrophobicContact CD2-CE1 4.49Å; Y487-Y491 HydrophobicContact CD2-CG 4.2Å; Y487-Y491 AromaticContact CE2-CD1 3.49Å; Y487-Y491 HydrophobicContact CE2-CD1 3.49Å; Y487-Y491 VanDerWaalsContact CE2-CD1 3.49Å; Y487-Y491 AromaticContact CE2-CE1 3.86Å; Y487-Y491 HydrophobicContact CE2-CE1 3.86Å; Y487-Y491 HydrophobicContact CE2-CG 4.34Å; Y487-Y491 VanDerWaalsContact O-CB 3.3Å; Y487-Y491 WeakPolarHBondContact O-CB 3.13Å; Y487-Y491 PolarHBondContact O-N 3.11Å; Y491-I494 PolarHBondContact O-N 3.31Å; Y491-S495 VanDerWaalsContact O-CB 3.24Å; Y491-S495 WeakPolarHBondContact O-CB 3.46Å; Y491-S495 PolarHBondContact O-N 2.83Å
492	L	89.9	Confident	89.2	Confident	2 Å²	2	67.5 Å²	67.5	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-63.5	-49	-177.3	-65.9	-179.7	0	0	0	112.9	F388 V408 I411 M412 Y487 V488 I494 S495 L496	F388-L492 HydrophobicContact CD2-CD2 3.61Å; F388-L492 HydrophobicContact CE2-CD1 4.4Å; F388-L492 HydrophobicContact CE2-CD2 3.74Å; V408-L492 HydrophobicContact CG1-CB 4.38Å; I411-L492 HydrophobicContact CG2-CD1 4Å; M412-L492 HydrophobicContact CE-CB 4.12Å; M412-L492 HydrophobicContact CE-CD1 3.94Å; Y487-L492 HydrophobicContact CD1-CD1 4.34Å; Y487-L492 HydrophobicContact CD1-CG 4.25Å; Y487-L492 HydrophobicContact CE1-CD1 4.04Å; Y487-L492 HydrophobicContact CE1-CD2 3.84Å; Y487-L492 HydrophobicContact CE1-CG 3.95Å; Y487-L492 WeakPolarHBondContact O-CG 3.31Å; Y487-L492 PolarHBondContact O-N 3.33Å; V488-L492 WeakPolarHBondContact O-CB 3.05Å; L492-I494 PolarHBondContact O-N 3.39Å; L492-S495 PolarHBondContact O-N 2.92Å; L492-L496 WeakPolarHBondContact O-CB 3.42Å; L492-L496 PolarHBondContact O-N 3.34Å
493	P	88.8	Confident	88.3	Confident	46 Å²	46	64.6 Å²	64.6	30%	0.299	31%	0.313	S	S	.	.	H	α-helix	trans	-60.2	-44.4	175.3	-27.9	35.7	0	0	0	113.2	M412 V488 Y489 S495 L496 F497	M412-P493 HydrophobicContact SD-CG 4.2Å; V488-P493 WeakPolarHBondContact O-CD 3.44Å; Y489-P493 WeakPolarHBondContact O-CG 3.21Å; P493-S495 VanDerWaalsContact C-N 3.35Å; P493-S495 PolarHBondContact O-N 2.92Å; P493-L496 PolarHBondContact O-N 3.42Å; P493-F497 WeakPolarHBondContact O-CB 3.3Å; P493-F497 PolarHBondContact O-N 2.83Å
494	I	88.6	Confident	87.5	Confident	81 Å²	81	66.1 Å²	66.1	42%	0.415	31%	0.314	S	S	.	.	H	α-helix	trans	-63.1	-43.9	178.5	-67.1	168.7	0	0	0	110.4	L490 Y491 L492 F497 R498	L490-I494 WeakPolarHBondContact O-CB 3.37Å; L490-I494 VanDerWaalsContact O-CD1 3.29Å; L490-I494 WeakPolarHBondContact O-CD1 3.41Å; L490-I494 WeakPolarHBondContact O-CG1 3.46Å; L490-I494 PolarHBondContact O-N 3.02Å; Y491-I494 PolarHBondContact O-N 3.31Å; L492-I494 PolarHBondContact O-N 3.39Å; I494-F497 PolarHBondContact O-N 3.39Å; I494-R498 HydrophobicContact CG2-CG 4.5Å; I494-R498 WeakPolarHBondContact O-CB 3.49Å; I494-R498 VanDerWaalsContact O-CG 3.31Å; I494-R498 WeakPolarHBondContact O-CG 3.14Å; I494-R498 PolarHBondContact O-N 3.43Å
495	S	86.3	Confident	86.4	Confident	15 Å²	15	67 Å²	67	11%	0.105	32%	0.321	C	S	.	.	H	α-helix	trans	-62.8	-43.1	177.2	179.5	0	0	0	0	111.7	Y491 L492 P493 S499	Y491-S495 VanDerWaalsContact O-CB 3.24Å; Y491-S495 WeakPolarHBondContact O-CB 3.46Å; Y491-S495 PolarHBondContact O-N 2.83Å; L492-S495 PolarHBondContact O-N 2.92Å; P493-S495 VanDerWaalsContact C-N 3.35Å; P493-S495 PolarHBondContact O-N 2.92Å; S495-S499 WeakPolarHBondContact O-CB 3.26Å; S495-S499 PolarHBondContact O-N 3.49Å
496	L	88.4	Confident	85.1	Confident	20 Å²	20	67.7 Å²	67.7	11%	0.105	32%	0.323	C	S	.	.	H	α-helix	trans	-63.7	-47.2	177.3	178.4	135.1	0	0	0	110.7	R404 V405 V408 L492 P493 R498 S499 L500	R404-L496 HydrophobicContact CB-CD1 4.13Å; R404-L496 WeakPolarHBondContact O-CD1 3.37Å; V405-L496 HydrophobicContact CG2-CD1 4.19Å; V405-L496 HydrophobicContact CG2-CD2 4.24Å; V408-L496 HydrophobicContact CB-CD1 3.83Å; V408-L496 HydrophobicContact CG1-CD1 4.43Å; V408-L496 HydrophobicContact CG2-CB 4.35Å; V408-L496 HydrophobicContact CG2-CD1 3.49Å; V408-L496 VanDerWaalsContact CG2-CD1 3.49Å; L492-L496 WeakPolarHBondContact O-CB 3.42Å; L492-L496 PolarHBondContact O-N 3.34Å; P493-L496 PolarHBondContact O-N 3.42Å; L496-R498 PolarHBondContact O-N 3.31Å; L496-S499 WeakPolarHBondContact O-CA 3.29Å; L496-S499 WeakPolarHBondContact O-CB 3.41Å; L496-S499 PolarHBondContact O-N 2.89Å; L496-S499 PolarHBondContact O-OG 3.41Å; L496-L500 HydrophobicContact CD2-CD1 3.57Å; L496-L500 HydrophobicContact CD2-CG 4.24Å; L496-L500 HydrophobicContact CG-CD1 4.28Å; L496-L500 HydrophobicContact CG-CG 4.45Å; L496-L500 WeakPolarHBondContact O-CG 3.39Å; L496-L500 PolarHBondContact O-N 2.93Å
497	F	88	Confident	83.5	Confident	131 Å²	131	71.4 Å²	71.4	58%	0.575	34%	0.336	S	S	*	.	H	α-helix	trans	-59.2	-46.7	178.2	-174.8	-112.5	0	0	0	111.9	P493 I494 S499 L500 I501	P493-F497 WeakPolarHBondContact O-CB 3.3Å; P493-F497 PolarHBondContact O-N 2.83Å; I494-F497 PolarHBondContact O-N 3.39Å; F497-S499 VanDerWaalsContact C-N 3.26Å; F497-S499 PolarHBondContact O-N 3.11Å; F497-L500 PolarHBondContact O-N 3.24Å; F497-L500 VanDerWaalsContact O-N 3.16Å; F497-I501 HydrophobicContact CD1-CD1 3.52Å; F497-I501 HydrophobicContact CD1-CG1 4.49Å; F497-I501 HydrophobicContact CD2-CD1 4.46Å; F497-I501 HydrophobicContact CE1-CD1 3.17Å; F497-I501 HydrophobicContact CE1-CG1 4.23Å; F497-I501 HydrophobicContact CE2-CD1 4.17Å; F497-I501 HydrophobicContact CE2-CG1 4.41Å; F497-I501 HydrophobicContact CG-CD1 4.17Å; F497-I501 HydrophobicContact CZ-CD1 3.53Å; F497-I501 HydrophobicContact CZ-CG1 4.17Å; F497-I501 WeakPolarHBondContact O-CG1 3.05Å; F497-I501 PolarHBondContact O-N 3.42Å
498	R	85.6	Confident	81.9	Confident	161 Å²	161	74.3 Å²	74.3	61%	0.608	36%	0.356	S	S	*	.	H	α-helix	trans	-58.4	-38.1	173.5	-74.7	176.8	179.7	164.3	0.8	112.5	I494 L496 R502	I494-R498 HydrophobicContact CG2-CG 4.5Å; I494-R498 WeakPolarHBondContact O-CB 3.49Å; I494-R498 VanDerWaalsContact O-CG 3.31Å; I494-R498 WeakPolarHBondContact O-CG 3.14Å; I494-R498 PolarHBondContact O-N 3.43Å; L496-R498 PolarHBondContact O-N 3.31Å; R498-R502 WeakPolarHBondContact O-CB 3.29Å; R498-R502 PolarHBondContact O-N 2.93Å
499	S	81.8	Confident	80	Confident	10 Å²	10	77.8 Å²	77.8	7%	0.07	38%	0.381	C	S	.	.	H	α-helix	trans	-68.3	-39.6	177.3	81.7	0	0	0	0	112.2	S495 L496 F497 R502 D503	S495-S499 WeakPolarHBondContact O-CB 3.26Å; S495-S499 PolarHBondContact O-N 3.49Å; L496-S499 WeakPolarHBondContact O-CA 3.29Å; L496-S499 WeakPolarHBondContact O-CB 3.41Å; L496-S499 PolarHBondContact O-N 2.89Å; L496-S499 PolarHBondContact O-OG 3.41Å; F497-S499 VanDerWaalsContact C-N 3.26Å; F497-S499 PolarHBondContact O-N 3.11Å; S499-R502 PolarHBondContact O-N 2.84Å; S499-D503 PolarHBondContact O-N 2.86Å
500	L	85.2	Confident	77.8	Confident	43 Å²	43	80.3 Å²	80.3	23%	0.225	39%	0.394	C	S	.	.	H	α-helix	trans	-68.5	-44.1	179.5	-69.6	178.6	0	0	0	111.7	K401 V405 L496 F497 R502 D503 E504	K401-L500 HydrophobicContact CB-CD2 4.01Å; K401-L500 HydrophobicContact CD-CD2 4.21Å; K401-L500 HydrophobicContact CG-CD2 4.03Å; V405-L500 HydrophobicContact CG2-CD1 4.19Å; L496-L500 HydrophobicContact CD2-CD1 3.57Å; L496-L500 HydrophobicContact CD2-CG 4.24Å; L496-L500 HydrophobicContact CG-CD1 4.28Å; L496-L500 HydrophobicContact CG-CG 4.45Å; L496-L500 WeakPolarHBondContact O-CG 3.39Å; L496-L500 PolarHBondContact O-N 2.93Å; F497-L500 PolarHBondContact O-N 3.24Å; F497-L500 VanDerWaalsContact O-N 3.16Å; L500-R502 VanDerWaalsContact C-N 3.28Å; L500-R502 PolarHBondContact O-N 3.2Å; L500-D503 PolarHBondContact O-N 3.05Å; L500-E504 PolarHBondContact O-N 3.04Å
501	I	84.1	Confident	75.5	Confident	82 Å²	82	77.9 Å²	77.9	42%	0.421	39%	0.385	S	S	.	.	H	α-helix	trans	-58.7	-43.5	174.8	-68.6	164.9	0	0	0	110.6	F497 D503 E504 S505	F497-I501 HydrophobicContact CD1-CD1 3.52Å; F497-I501 HydrophobicContact CD1-CG1 4.49Å; F497-I501 HydrophobicContact CD2-CD1 4.46Å; F497-I501 HydrophobicContact CE1-CD1 3.17Å; F497-I501 HydrophobicContact CE1-CG1 4.23Å; F497-I501 HydrophobicContact CE2-CD1 4.17Å; F497-I501 HydrophobicContact CE2-CG1 4.41Å; F497-I501 HydrophobicContact CG-CD1 4.17Å; F497-I501 HydrophobicContact CZ-CD1 3.53Å; F497-I501 HydrophobicContact CZ-CG1 4.17Å; F497-I501 WeakPolarHBondContact O-CG1 3.05Å; F497-I501 PolarHBondContact O-N 3.42Å; I501-D503 PolarHBondContact O-N 3.49Å; I501-E504 WeakPolarHBondContact O-CB 3.39Å; I501-E504 PolarHBondContact O-N 3.42Å; I501-E504 VanDerWaalsContact O-N 3.09Å; I501-S505 PolarHBondContact O-N 3.23Å
502	R	78.3	Confident	73.6	Confident	119 Å²	119	78.3 Å²	78.3	45%	0.449	40%	0.397	S	S	.	.	H	α-helix	trans	-67.4	-37.7	-179.1	-165.4	-177.7	-66.4	158.4	-6.5	112.4	R498 S499 L500 E504 S505 E506	R498-R502 WeakPolarHBondContact O-CB 3.29Å; R498-R502 PolarHBondContact O-N 2.93Å; S499-R502 PolarHBondContact O-N 2.84Å; L500-R502 VanDerWaalsContact C-N 3.28Å; L500-R502 PolarHBondContact O-N 3.2Å; R502-E504 PolarHBondContact O-N 2.96Å; R502-S505 PolarHBondContact O-N 3.26Å; R502-S505 PolarHBondContact O-OG 3.47Å; R502-E506 PolarHBondContact O-N 2.9Å; R502-E506 VanDerWaalsContact O-N 3.12Å
503	D	75.1	Confident	71.7	Confident	17 Å²	17	84.3 Å²	84.3	9%	0.091	43%	0.425	C	S	.	.	H	α-helix	trans	-69.7	-19.6	174.1	-69.8	-10.3	0	0	0	111.4	R404 S499 L500 I501 I507	R404-D503 IonicContact CZ-OD2 3.54Å; R404-D503 IonicContact NH1-OD2 2.78Å; R404-D503 PolarHBondContact NH1-OD2 3.24Å; R404-D503 IonicContact NH2-OD2 2.82Å; S499-D503 PolarHBondContact O-N 2.86Å; L500-D503 PolarHBondContact O-N 3.05Å; I501-D503 PolarHBondContact O-N 3.49Å; D503-I507 VanDerWaalsContact O-CD1 3.27Å; D503-I507 WeakPolarHBondContact O-CD1 3.3Å; D503-I507 VanDerWaalsContact O-CG1 3.25Å; D503-I507 WeakPolarHBondContact O-CG1 3.36Å
504	E	76.7	Confident	69.8	Low	135 Å²	135	88.2 Å²	88.2	63%	0.631	44%	0.443	S	S	*	.	H	α-helix	trans	-80.8	-40.5	173.3	-169	172.1	174.4	0	0	111.9	L500 I501 R502 E506 I507 L508	L500-E504 PolarHBondContact O-N 3.04Å; I501-E504 WeakPolarHBondContact O-CB 3.39Å; I501-E504 PolarHBondContact O-N 3.42Å; I501-E504 VanDerWaalsContact O-N 3.09Å; R502-E504 PolarHBondContact O-N 2.96Å; E504-E506 VanDerWaalsContact C-N 3.29Å; E504-E506 PolarHBondContact O-N 3.02Å; E504-I507 PolarHBondContact O-N 2.95Å; E504-I507 VanDerWaalsContact O-N 3.11Å; E504-L508 PolarHBondContact O-N 3.35Å
505	S	70.6	Confident	68.1	Low	63 Å²	63	89.8 Å²	89.8	44%	0.441	45%	0.448	S	S	.	.	H	α-helix	trans	-66	-30.7	173.6	66.2	0	0	0	0	112.9	I501 R502 I507 L508 S509	I501-S505 PolarHBondContact O-N 3.23Å; R502-S505 PolarHBondContact O-N 3.26Å; R502-S505 PolarHBondContact O-OG 3.47Å; S505-I507 VanDerWaalsContact C-N 3.3Å; S505-L508 PolarHBondContact O-N 3.35Å; S505-S509 PolarHBondContact O-N 3.07Å; S505-S509 PolarHBondContact O-OG 2.86Å
506	E	65.5	Low	66.5	Low	81 Å²	81	93.5 Å²	93.5	38%	0.379	46%	0.463	S	S	.	.	H	α-helix	trans	-70.2	-25.3	173.1	-163.1	175.2	164.5	0	0	112.7	R502 E504 S509	R502-E506 PolarHBondContact O-N 2.9Å; R502-E506 VanDerWaalsContact O-N 3.12Å; E504-E506 VanDerWaalsContact C-N 3.29Å; E504-E506 PolarHBondContact O-N 3.02Å; E506-S509 WeakPolarHBondContact CA-OG 2.97Å; E506-S509 PolarHBondContact O-OG 2.95Å
507	I	61.1	Low	64.8	Low	105 Å²	105	97.9 Å²	97.9	54%	0.538	49%	0.485	S	S	.	.	H	α-helix	trans	-79.6	-41	174.4	-66.5	164.3	0	0	0	110.2	D503 E504 S505 S509 K510	D503-I507 VanDerWaalsContact O-CD1 3.27Å; D503-I507 WeakPolarHBondContact O-CD1 3.3Å; D503-I507 VanDerWaalsContact O-CG1 3.25Å; D503-I507 WeakPolarHBondContact O-CG1 3.36Å; E504-I507 PolarHBondContact O-N 2.95Å; E504-I507 VanDerWaalsContact O-N 3.11Å; S505-I507 VanDerWaalsContact C-N 3.3Å; I507-S509 PolarHBondContact O-N 3.47Å; I507-K510 PolarHBondContact O-N 2.9Å
508	L	57.2	Low	63.1	Low	148 Å²	148	97.6 Å²	97.6	78%	0.775	49%	0.486	S	S	*	.	H	α-helix	trans	-67.3	-25.2	179.7	-168.9	66.4	0	0	0	113.2	E504 S505	E504-L508 PolarHBondContact O-N 3.35Å; S505-L508 PolarHBondContact O-N 3.35Å
509	S	52.8	Low	61.5	Low	81 Å²	81	92.8 Å²	92.8	57%	0.566	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-8.7	177.5	47.2	0	0	0	0	114.2	S505 E506 I507 P511	S505-S509 PolarHBondContact O-N 3.07Å; S505-S509 PolarHBondContact O-OG 2.86Å; E506-S509 WeakPolarHBondContact CA-OG 2.97Å; E506-S509 PolarHBondContact O-OG 2.95Å; I507-S509 PolarHBondContact O-N 3.47Å; S509-P511 WeakPolarHBondContact O-CD 3.38Å
510	K	47	Very low	60.3	Low	144 Å²	144	97.2 Å²	97.2	63%	0.626	50%	0.498	S	S	*	.	S	Bend	trans	-78.1	119.3	171	-78.4	179.1	-178.8	-179.3	0	108.2	I507 T512	I507-K510 PolarHBondContact O-N 2.9Å; K510-T512 PolarHBondContact O-N 3.22Å; K510-T512 VanDerWaalsContact O-N 3.15Å
511	P	43.6	Very low	58.8	Low	63 Å²	63	99.1 Å²	99.1	41%	0.409	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-57.7	125.7	175.1	23.5	-30.7	0	0	0	107.5	S509 E513 E515 K516	S509-P511 WeakPolarHBondContact O-CD 3.38Å; P511-E513 PolarHBondContact O-N 3.09Å; P511-E515 HydrophobicContact CB-CB 4.22Å; P511-K516 HydrophobicContact CG-CG 4.36Å
512	T	50.2	Low	57.6	Low	97 Å²	97	100.3 Å²	100.3	60%	0.595	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-47.6	137.2	173.3	0.3	0	0	0	0	107.9	K510 L514 E515	K510-T512 PolarHBondContact O-N 3.22Å; K510-T512 VanDerWaalsContact O-N 3.15Å; T512-L514 CarbonylContact O-C 3.51Å; T512-L514 PolarHBondContact O-N 3.47Å; T512-E515 PolarHBondContact O-N 2.85Å
513	E	51.3	Low	56.5	Low	128 Å²	128	99.4 Å²	99.4	60%	0.598	53%	0.526	S	S	*	.	H	α-helix	trans	-50.3	-22.3	178.6	-70.6	-75.7	119.2	0	0	112.7	P511 K516 L517	P511-E513 PolarHBondContact O-N 3.09Å; E513-K516 IonicContact OE1-NZ 2.86Å; E513-K516 PolarHBondContact OE1-NZ 3.02Å; E513-L517 WeakPolarHBondContact O-CG 3.26Å; E513-L517 PolarHBondContact O-N 2.93Å
514	L	48.2	Very low	55.4	Low	129 Å²	129	105.1 Å²	105.1	68%	0.675	55%	0.55	S	S	*	*	H	α-helix	trans	-64.1	-39.5	170.7	-150.6	80.3	0	0	0	114.5	T512 Q518	T512-L514 CarbonylContact O-C 3.51Å; T512-L514 PolarHBondContact O-N 3.47Å; L514-Q518 PolarHBondContact O-N 3.32Å; L514-Q518 VanDerWaalsContact O-N 3.11Å
515	E	54.1	Low	54.3	Low	113 Å²	113	105.1 Å²	105.1	53%	0.528	55%	0.55	S	S	.	*	H	α-helix	trans	-71.6	-36.9	177.1	-90.6	-179.1	142.2	0	0	111.9	P511 T512 L517 Q518 S519	P511-E515 HydrophobicContact CB-CB 4.22Å; T512-E515 PolarHBondContact O-N 2.85Å; E515-L517 VanDerWaalsContact C-N 3.34Å; E515-Q518 PolarHBondContact O-N 2.97Å; E515-S519 PolarHBondContact O-N 3.35Å; E515-S519 PolarHBondContact O-OG 3.1Å
516	K	53	Low	53.4	Low	94 Å²	94	106.3 Å²	106.3	41%	0.409	55%	0.552	S	S	.	*	H	α-helix	trans	-61.8	-43.9	174.2	-70.3	-176.6	-170.5	163.5	0	111	P511 E513 Q518 S519 I520	P511-K516 HydrophobicContact CG-CG 4.36Å; E513-K516 IonicContact OE1-NZ 2.86Å; E513-K516 PolarHBondContact OE1-NZ 3.02Å; K516-Q518 VanDerWaalsContact C-N 3.33Å; K516-Q518 PolarHBondContact O-N 2.93Å; K516-S519 PolarHBondContact O-N 3.48Å; K516-S519 PolarHBondContact O-OG 3.21Å; K516-I520 WeakPolarHBondContact O-CD1 3.41Å; K516-I520 VanDerWaalsContact O-CG1 3.25Å; K516-I520 WeakPolarHBondContact O-CG1 3.5Å; K516-I520 PolarHBondContact O-N 3.4Å; K516-I520 VanDerWaalsContact O-N 3.11Å
517	L	50.9	Low	52.8	Low	111 Å²	111	108.3 Å²	108.3	58%	0.581	56%	0.561	S	S	*	*	H	α-helix	trans	-65	-36.5	176.9	-69.4	174.9	0	0	0	112.3	E513 E515 I520 S521	E513-L517 WeakPolarHBondContact O-CG 3.26Å; E513-L517 PolarHBondContact O-N 2.93Å; E515-L517 VanDerWaalsContact C-N 3.34Å; L517-I520 PolarHBondContact O-N 3.27Å; L517-S521 PolarHBondContact O-N 2.99Å; L517-S521 VanDerWaalsContact O-N 3.08Å
518	Q	53.1	Low	52.1	Low	126 Å²	126	111 Å²	111	59%	0.589	57%	0.569	S	S	*	*	H	α-helix	trans	-66.1	-39	175.5	-113.6	172.1	-28.7	0	0	113.1	L514 E515 K516 I520 L522	L514-Q518 PolarHBondContact O-N 3.32Å; L514-Q518 VanDerWaalsContact O-N 3.11Å; E515-Q518 PolarHBondContact O-N 2.97Å; K516-Q518 VanDerWaalsContact C-N 3.33Å; K516-Q518 PolarHBondContact O-N 2.93Å; Q518-I520 VanDerWaalsContact C-N 3.33Å; Q518-L522 PolarHBondContact O-N 3.26Å
519	S	52.5	Low	51.7	Low	59 Å²	59	111.3 Å²	111.3	41%	0.413	56%	0.564	S	S	.	*	H	α-helix	trans	-68.1	-31.9	174.9	61.6	0	0	0	0	113.2	E515 K516 N523	E515-S519 PolarHBondContact O-N 3.35Å; E515-S519 PolarHBondContact O-OG 3.1Å; K516-S519 PolarHBondContact O-N 3.48Å; K516-S519 PolarHBondContact O-OG 3.21Å; S519-N523 WeakPolarHBondContact O-CB 3.05Å; S519-N523 PolarHBondContact O-N 2.93Å; S519-N523 VanDerWaalsContact O-N 3.12Å; S519-N523 PolarHBondContact O-ND2 2.89Å; S519-N523 PolarHBondContact O-OD1 3.44Å
520	I	55.4	Low	51.5	Low	103 Å²	103	113.9 Å²	113.9	53%	0.528	57%	0.568	S	S	.	*	H	α-helix	trans	-71.5	-41.9	177.4	-67.2	162.5	0	0	0	110.8	K516 L517 Q518 L522 N523 F524	K516-I520 WeakPolarHBondContact O-CD1 3.41Å; K516-I520 VanDerWaalsContact O-CG1 3.25Å; K516-I520 WeakPolarHBondContact O-CG1 3.5Å; K516-I520 PolarHBondContact O-N 3.4Å; K516-I520 VanDerWaalsContact O-N 3.11Å; L517-I520 PolarHBondContact O-N 3.27Å; Q518-I520 VanDerWaalsContact C-N 3.33Å; I520-L522 PolarHBondContact O-N 3.48Å; I520-N523 PolarHBondContact O-N 2.92Å; I520-F524 PolarHBondContact O-N 3.42Å; I520-F524 VanDerWaalsContact O-N 3.1Å
521	S	55.3	Low	51.5	Low	84 Å²	84	116.2 Å²	116.2	59%	0.587	58%	0.578	S	S	*	*	H	α-helix	trans	-64.4	-37.7	176.2	-80.3	0	0	0	0	113.3	L517 E525	L517-S521 PolarHBondContact O-N 2.99Å; L517-S521 VanDerWaalsContact O-N 3.08Å; S521-E525 PolarHBondContact O-N 3.37Å
522	L	57.2	Low	51.4	Low	106 Å²	106	117.7 Å²	117.7	56%	0.555	59%	0.59	S	S	*	*	H	α-helix	trans	-70.5	-34.6	176.4	-85	162.1	0	0	0	112.7	Q518 I520 N526	Q518-L522 PolarHBondContact O-N 3.26Å; I520-L522 PolarHBondContact O-N 3.48Å; L522-N526 PolarHBondContact O-N 2.87Å; L522-N526 PolarHBondContact O-ND2 3.38Å
523	N	55.4	Low	51.1	Low	101 Å²	101	121 Å²	121	54%	0.54	60%	0.598	S	S	.	*	H	α-helix	trans	-69.9	-38.3	177.4	-73.5	-5.3	0	0	0	112.2	S519 I520 E525 N526 E527	S519-N523 WeakPolarHBondContact O-CB 3.05Å; S519-N523 PolarHBondContact O-N 2.93Å; S519-N523 VanDerWaalsContact O-N 3.12Å; S519-N523 PolarHBondContact O-ND2 2.89Å; S519-N523 PolarHBondContact O-OD1 3.44Å; I520-N523 PolarHBondContact O-N 2.92Å; N523-E525 VanDerWaalsContact C-N 3.29Å; N523-E525 PolarHBondContact O-N 2.84Å; N523-N526 PolarHBondContact O-N 3.19Å; N523-E527 PolarHBondContact O-N 2.79Å
524	F	51.5	Low	50.5	Low	136 Å²	136	121.8 Å²	121.8	60%	0.596	61%	0.607	S	S	*	*	H	α-helix	trans	-66.2	-31.3	178.7	-155.7	-94	0	0	0	112.7	I520 F528	I520-F524 PolarHBondContact O-N 3.42Å; I520-F524 VanDerWaalsContact O-N 3.1Å; F524-F528 HydrophobicContact CE1-CD2 4.34Å; F524-F528 HydrophobicContact CE1-CE2 4.4Å; F524-F528 PolarHBondContact O-N 3.08Å
525	E	55	Low	49.7	Very low	135 Å²	135	123.3 Å²	123.3	63%	0.631	62%	0.616	S	S	*	*	H	α-helix	trans	-75.9	-27.4	178	-152.4	168.8	177	0	0	112.3	S521 N523	S521-E525 PolarHBondContact O-N 3.37Å; N523-E525 VanDerWaalsContact C-N 3.29Å; N523-E525 PolarHBondContact O-N 2.84Å
526	N	51.6	Low	48.7	Very low	89 Å²	89	128.8 Å²	128.8	48%	0.476	63%	0.631	S	S	.	*	H	α-helix	trans	-81.8	-39	175.6	-67.7	-22.6	0	0	0	112.3	L522 N523 F528 K529 E530	L522-N526 PolarHBondContact O-N 2.87Å; L522-N526 PolarHBondContact O-ND2 3.38Å; N523-N526 PolarHBondContact O-N 3.19Å; N526-F528 PolarHBondContact O-N 3.39Å; N526-K529 PolarHBondContact O-N 3.23Å; N526-E530 PolarHBondContact O-N 2.85Å; N526-E530 VanDerWaalsContact O-N 3.09Å
527	E	52.1	Low	48	Very low	122 Å²	122	130 Å²	130	57%	0.57	65%	0.652	S	S	*	*	H	α-helix	trans	-61.7	-30.1	175.5	-83.1	-172.6	136.5	0	0	112.9	N523 K529 K531	N523-E527 PolarHBondContact O-N 2.79Å; E527-K529 VanDerWaalsContact C-N 3.32Å; E527-K531 PolarHBondContact O-N 3.32Å
528	F	46.8	Very low	47.1	Very low	161 Å²	161	132.1 Å²	132.1	71%	0.706	66%	0.664	S	S	*	*	H	α-helix	trans	-74.2	-21.5	175.9	-120.1	-88	0	0	0	113.5	F524 N526	F524-F528 HydrophobicContact CE1-CD2 4.34Å; F524-F528 HydrophobicContact CE1-CE2 4.4Å; F524-F528 PolarHBondContact O-N 3.08Å; N526-F528 PolarHBondContact O-N 3.39Å
529	K	48.5	Very low	46.2	Very low	155 Å²	155	133.8 Å²	133.8	67%	0.674	68%	0.677	S	S	*	*	H	α-helix	trans	-87.8	-38.2	176.6	-88.5	179.8	173.3	175.3	0	112.6	N526 E527 S532	N526-K529 PolarHBondContact O-N 3.23Å; E527-K529 VanDerWaalsContact C-N 3.32Å; K529-S532 PolarHBondContact O-OG 3.2Å
530	E	49.6	Very low	45.4	Very low	135 Å²	135	134.4 Å²	134.4	63%	0.631	69%	0.692	S	S	*	*	H	α-helix	trans	-72.3	-31	179.9	-79.6	178	153.7	0	0	112.7	N526 S532 E533	N526-E530 PolarHBondContact O-N 2.85Å; N526-E530 VanDerWaalsContact O-N 3.09Å; E530-S532 PolarHBondContact O-N 3.43Å; E530-S532 VanDerWaalsContact O-N 3.08Å; E530-E533 PolarHBondContact O-N 3.34Å
531	K	46.4	Very low	44.6	Very low	193 Å²	193	135.9 Å²	135.9	84%	0.839	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-7	179.7	-122.4	167.4	-174.6	163.6	0	115.4	E527	E527-K531 PolarHBondContact O-N 3.32Å
532	S	40.9	Very low	43.6	Very low	95 Å²	95	137.1 Å²	137.1	66%	0.664	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	-10.6	175.7	52.6	0	0	0	0	115.2	K529 E530	K529-S532 PolarHBondContact O-OG 3.2Å; E530-S532 PolarHBondContact O-N 3.43Å; E530-S532 VanDerWaalsContact O-N 3.08Å
533	E	44.8	Very low	42.7	Very low	165 Å²	165	137.3 Å²	137.3	77%	0.771	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.5	-15.8	-169.1	-67.5	-170.7	151.3	0	0	115.5	E530 N535	E530-E533 PolarHBondContact O-N 3.34Å; E533-N535 PolarHBondContact O-N 3.49Å
534	D	38.3	Very low	41.7	Very low	145 Å²	145	141.5 Å²	141.5	78%	0.775	74%	0.738	S	S	*	*			trans	-92.2	23.6	-169.4	-82	-18.5	0	0	0	117.3	R536	D534-R536 VanDerWaalsContact C-N 3.32Å; D534-R536 PolarHBondContact O-N 3.3Å; D534-R536 VanDerWaalsContact O-N 3.14Å
535	N	31.9	Very low	40.8	Very low	162 Å²	162	138.9 Å²	138.9	87%	0.866	74%	0.735	S	S	*	*			trans	-85.2	62.6	169.9	-88.1	-30.7	0	0	0	112	E533	E533-N535 PolarHBondContact O-N 3.49Å
536	R	33	Very low	39.9	Very low	227 Å²	227	141.4 Å²	141.4	86%	0.857	74%	0.743	S	S	*	*	S	Bend	trans	-166.9	111.2	157.9	-116.5	165.6	178.7	-167.1	-1.1	115.4	D534	D534-R536 VanDerWaalsContact C-N 3.32Å; D534-R536 PolarHBondContact O-N 3.3Å; D534-R536 VanDerWaalsContact O-N 3.14Å
537	S	36.7	Very low	39	Very low	119 Å²	119	144.9 Å²	144.9	83%	0.832	76%	0.76	S	S	*	*			trans	71.5	113.1	143.7	45	0	0	0	0	120
538	N	32	Very low	38.4	Very low	157 Å²	157	145.3 Å²	145.3	84%	0.84	77%	0.765	S	S	*	*			trans	-116.1	171.8	170.4	-141.8	0.5	0	0	0	110.3
539	D	35.5	Very low	37.9	Very low	160 Å²	160	143.8 Å²	143.8	86%	0.856	77%	0.769	S	S	*	*			trans	103.7	123.1	172.5	-57.8	-13.1	0	0	0	114.1
540	G	36	Very low	37.4	Very low	72 Å²	72	142.7 Å²	142.7	74%	0.742	77%	0.769	S	S	*	*			cis	136.8	128.5	6	0	0	0	0	0	110.3
541	S	38.3	Very low	36.6	Very low	135 Å²	135	143.3 Å²	143.3	94%	0.944	78%	0.777	S	S	*	*			trans	167.5	145.6	141	51.3	0	0	0	0	114.7
542	L	33.5	Very low	36.2	Very low	109 Å²	109	142.4 Å²	142.4	57%	0.571	78%	0.776	S	S	*	*			trans	-112.5	150.2	-162	-171.5	89.9	0	0	0	111.5	M173	M173-L542 HydrophobicContact SD-CD1 4.42Å; M173-L542 HydrophobicContact SD-CD2 3.85Å
543	S	38.8	Very low	36.2	Very low	110 Å²	110	144 Å²	144	77%	0.769	78%	0.782	S	S	*	*			trans	-145.2	150.5	157.9	58.7	0	0	0	0	112.7
544	E	33.5	Very low	35.9	Very low	189 Å²	189	142.6 Å²	142.6	88%	0.883	78%	0.784	S	S	*	*			trans	-67.7	157.8	-165.1	-58	167.5	141.4	0	0	115.7
545	P	34.2	Very low	35.8	Very low	82 Å²	82	141.2 Å²	141.2	53%	0.532	78%	0.782	S	S	.	*			trans	-130	161.3	172.3	42.4	-26.4	0	0	0	115.1	P172	P172-P545 HydrophobicContact CB-CG 3.35Å; P172-P545 HydrophobicContact CG-CG 3.19Å
546	K	35.7	Very low	35.9	Very low	187 Å²	187	142.2 Å²	142.2	81%	0.813	78%	0.784	S	S	*	*			trans	-106.7	138.2	-174.5	-175.6	176.1	-178.9	179.2	0	108.3
547	I	33.7	Very low	36.2	Very low	162 Å²	162	140.3 Å²	140.3	83%	0.831	79%	0.785	S	S	*	*			trans	-77	127.6	179.5	-62.2	169.2	0	0	0	109.3
548	I	39.3	Very low	36.2	Very low	132 Å²	132	139.6 Å²	139.6	68%	0.677	78%	0.78	S	S	*	*			trans	-134.7	125.9	168.9	-55	178.4	0	0	0	108.2	I550	I548-I550 HydrophobicContact CG2-CD1 4.38Å; I548-I550 HydrophobicContact CG2-CG1 4.01Å
549	V	34.7	Very low	36.5	Very low	128 Å²	128	140.2 Å²	140.2	78%	0.776	78%	0.784	S	S	*	*			trans	-91.9	127.9	174.1	177.4	0	0	0	0	107.4
550	I	39.6	Very low	36.6	Very low	133 Å²	133	141.1 Å²	141.1	68%	0.682	78%	0.783	S	S	*	*			trans	-130.2	106.1	169.5	-54.6	179.4	0	0	0	108.2	I548 E552	I548-I550 HydrophobicContact CG2-CD1 4.38Å; I548-I550 HydrophobicContact CG2-CG1 4.01Å; I550-E552 HydrophobicContact CG2-CG 4.2Å
551	D	32.5	Very low	36.8	Very low	148 Å²	148	144.6 Å²	144.6	79%	0.791	79%	0.789	S	S	*	*			trans	-75.4	130.5	155	-103.4	-26.6	0	0	0	107.1
552	E	38.5	Very low	36.7	Very low	174 Å²	174	150 Å²	150	81%	0.813	81%	0.807	S	S	*	*			trans	-126.6	102.4	157.4	-92.3	-172.4	162.1	0	0	110.3	I550	I550-E552 HydrophobicContact CG2-CG 4.2Å
553	T	39	Very low	36.8	Very low	129 Å²	129	152.1 Å²	152.1	79%	0.791	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-61.7	123.3	157.5	46.3	0	0	0	0	110
554	V	40.4	Very low	36.7	Very low	134 Å²	134	154.3 Å²	154.3	81%	0.812	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-73.5	129	174.4	178.6	0	0	0	0	110.5
555	P	36	Very low	36.9	Very low	116 Å²	116	152.3 Å²	152.3	75%	0.753	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-98.1	138.1	161.6	33.1	-23.2	0	0	0	111.1
556	M	34.3	Very low	37	Very low	184 Å²	184	156.5 Å²	156.5	91%	0.906	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-79.6	125.3	171.9	-71.2	-118.7	64.4	0	0	109.7
557	E	39.2	Very low	37.1	Very low	186 Å²	186	154.6 Å²	154.6	87%	0.869	84%	0.836	S	S	*	*			trans	-113.3	135.7	169.9	-153.2	165.6	-161.9	0	0	110
558	S	35.7	Very low	37.4	Very low	105 Å²	105	154.1 Å²	154.1	73%	0.734	84%	0.836	S	S	*	*			trans	-96.2	128.5	-175.8	50.6	0	0	0	0	110.4
559	D	39.4	Very low	37.2	Very low	170 Å²	170	155.6 Å²	155.6	91%	0.909	85%	0.847	S	S	*	*			trans	-104.7	119.4	166.3	-88.3	-26.3	0	0	0	111.2
560	Q	36	Very low	37.4	Very low	179 Å²	179	157.8 Å²	157.8	84%	0.836	85%	0.853	S	S	*	*			trans	-88.2	133.4	157.1	-76.6	176.7	-18.3	0	0	108.3
561	T	40.5	Very low	37.2	Very low	144 Å²	144	159.8 Å²	159.8	88%	0.883	87%	0.867	S	S	*	*			trans	172.5	98.3	134.1	44.9	0	0	0	0	110.4
562	L	35.5	Very low	37.7	Very low	249 Å²	249	160.9 Å²	160.9	100%	1.304	87%	0.874	S	S	*	*				-175.5	0	107.2	-154.5	115.1	0	0	0	109.3

Retrieved 562 of 562 residues in 310 ms (Link to these results)

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