A0A077YY16_TRITR Loading...

Lymphoid specific helicase

AlphaFold DB , UniProt , Accession A0A077YY16, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 568 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30	Very low	28.5	Very low	247 Å²	247	166.8 Å²	166.8	100%	1.217	85%	0.847	S	S	*	*				0	119.2	0	-77.9	178.2	-152.9	0	0	107.1
2	E	27.8	Very low	28.6	Very low	197 Å²	197	163.6 Å²	163.6	92%	0.921	84%	0.842	S	S	*	*			trans	62	126.6	170.8	-67.6	179.9	170.2	0	0	121.3
3	A	28.9	Very low	28.5	Very low	88 Å²	88	161.3 Å²	161.3	73%	0.727	84%	0.84	S	S	*	*			trans	69.1	85.2	167.8	0	0	0	0	0	117.8
4	Y	30	Very low	28.3	Very low	245 Å²	245	163.1 Å²	163.1	96%	0.961	84%	0.842	S	S	*	*				-159.9	87.9	129	-104.6	-78.3	0	0	0	108.4
5	S	28.5	Very low	28.3	Very low	106 Å²	106	161.2 Å²	161.2	74%	0.741	84%	0.841	S	S	*	*			trans	-109.2	123.8	165.2	162	0	0	0	0	106.4
6	K	31	Very low	28.1	Very low	179 Å²	179	157.3 Å²	157.3	78%	0.778	83%	0.832	S	S	*	*			trans	135.5	129.2	156.9	-74.8	175.3	179.5	-176.6	0	112.3
7	D	28	Very low	28	Very low	145 Å²	145	155.3 Å²	155.3	78%	0.775	83%	0.832	S	S	*	*			trans	81	83.4	159.7	-50.5	-21.5	0	0	0	118
8	N	28.9	Very low	27.9	Very low	149 Å²	149	155.4 Å²	155.4	80%	0.797	83%	0.833	S	S	*	*			trans	-157.4	80.6	141.5	-97.8	-27.5	0	0	0	110.2	W10	N8-W10 PolarHBondContact O-N 3.37Å
9	S	26.5	Very low	28	Very low	108 Å²	108	150.4 Å²	150.4	76%	0.755	82%	0.821	S	S	*	*			trans	-76.6	101.5	164.3	56.3	0	0	0	0	109.3
10	W	28.2	Very low	27.9	Very low	219 Å²	219	152.7 Å²	152.7	83%	0.83	83%	0.826	S	S	*	*			trans	-93.8	89.3	159	-74.5	88.2	0	0	0	107.5	N8 T12	N8-W10 PolarHBondContact O-N 3.37Å; W10-T12 PolarHBondContact O-N 3Å
11	N	26	Very low	28.1	Very low	152 Å²	152	151.9 Å²	151.9	81%	0.813	82%	0.82	S	S	*	*			trans	-67	108.1	165.9	-83.2	-5	0	0	0	108	T13	N11-T13 PolarHBondContact O-N 3.33Å
12	T	30.1	Very low	28.3	Very low	128 Å²	128	146 Å²	146	79%	0.785	80%	0.798	S	S	*	*			trans	-69	112.7	156.3	39.2	0	0	0	0	107.5	W10 E14	W10-T12 PolarHBondContact O-N 3Å; T12-E14 PolarHBondContact O-N 3.23Å
13	T	26.7	Very low	28.4	Very low	134 Å²	134	140.1 Å²	140.1	82%	0.822	79%	0.791	S	S	*	*			trans	-51	108.1	165.1	34.1	0	0	0	0	109.8	N11 T15	N11-T13 PolarHBondContact O-N 3.33Å; T13-T15 PolarHBondContact O-N 3.26Å
14	E	26.2	Very low	28.7	Very low	186 Å²	186	143.4 Å²	143.4	87%	0.869	80%	0.796	S	S	*	*			trans	-64	111.3	157.9	-73.2	178.2	158.7	0	0	107.7	T12 S16	T12-E14 PolarHBondContact O-N 3.23Å; E14-S16 PolarHBondContact O-N 3.48Å; E14-S16 VanDerWaalsContact O-N 3.1Å
15	T	27.4	Very low	29	Very low	135 Å²	135	136.7 Å²	136.7	83%	0.828	78%	0.777	S	S	*	*			trans	-70.4	100.1	164.4	-1.2	0	0	0	0	107.3	T13 C17	T13-T15 PolarHBondContact O-N 3.26Å; T15-C17 PolarHBondContact O-N 3.44Å
16	S	25.6	Very low	29.4	Very low	99 Å²	99	136 Å²	136	69%	0.692	77%	0.771	S	S	*	*			trans	-63.6	106.8	168	59.5	0	0	0	0	109.6	E14 N18	E14-S16 PolarHBondContact O-N 3.48Å; E14-S16 VanDerWaalsContact O-N 3.1Å; S16-N18 PolarHBondContact O-N 3.39Å
17	C	25.8	Very low	29.6	Very low	123 Å²	123	133.9 Å²	133.9	83%	0.831	77%	0.769	S	S	*	*			trans	-91	78.7	158.1	-74.5	0	0	0	0	108	T15 G19	T15-C17 PolarHBondContact O-N 3.44Å; C17-G19 VanDerWaalsContact C-N 3.29Å; C17-G19 PolarHBondContact O-N 3.42Å
18	N	26.8	Very low	30	Very low	158 Å²	158	129.7 Å²	129.7	85%	0.845	75%	0.754	S	S	*	*			trans	-79.5	86	159.6	-81.1	-9.2	0	0	0	107.3	S16	S16-N18 PolarHBondContact O-N 3.39Å
19	G	29.5	Very low	30.5	Very low	60 Å²	60	127.1 Å²	127.1	62%	0.619	74%	0.744	S	S	*	*			trans	-91.7	110.8	159.8	0	0	0	0	0	107.7	C17 I21	C17-G19 VanDerWaalsContact C-N 3.29Å; C17-G19 PolarHBondContact O-N 3.42Å; G19-I21 PolarHBondContact O-N 3.24Å
20	E	27	Very low	31	Very low	195 Å²	195	127.7 Å²	127.7	91%	0.911	74%	0.738	S	S	*	*			trans	-57.7	105.8	167.1	-70.6	174.5	151.6	0	0	108.5
21	I	31.3	Very low	31.4	Very low	136 Å²	136	119.8 Å²	119.8	70%	0.697	72%	0.717	S	S	*	*			trans	-105.7	103.3	164.2	-60.5	178	0	0	0	106	G19	G19-I21 PolarHBondContact O-N 3.24Å
22	T	33.3	Very low	32.4	Very low	124 Å²	124	117.1 Å²	117.1	76%	0.761	70%	0.702	S	S	*	*			trans	-50.4	135.9	167.6	46.5	0	0	0	0	110.4	D24	T22-D24 PolarHBondContact O-N 3.3Å
23	G	30.8	Very low	33	Very low	74 Å²	74	114.2 Å²	114.2	76%	0.763	69%	0.687	S	S	*	*	S	Bend	trans	-60.5	121.8	-174.1	0	0	0	0	0	113.8
24	D	36	Very low	33.8	Very low	156 Å²	156	110.6 Å²	110.6	83%	0.834	67%	0.671	S	S	*	*			trans	-174.4	2.6	148.1	-106.7	-12.1	0	0	0	113.3	T22	T22-D24 PolarHBondContact O-N 3.3Å
25	D	35.7	Very low	35	Very low	105 Å²	105	107.3 Å²	107.3	56%	0.561	65%	0.654	S	S	*	*			trans	-94.8	4.3	-172.4	-78.5	-31.3	0	0	0	116.9	D27 A28	D25-D27 VanDerWaalsContact C-N 3.29Å; D25-D27 PolarHBondContact O-N 3.01Å; D25-A28 PolarHBondContact O-N 3.36Å
26	S	35.8	Very low	36.3	Very low	90 Å²	90	103.1 Å²	103.1	63%	0.629	63%	0.628	S	S	*	*	H	α-helix	trans	-65.7	-25.6	-172.7	54.4	0	0	0	0	114.9
27	D	37	Very low	37.5	Very low	135 Å²	135	104 Å²	104	72%	0.722	62%	0.624	S	S	*	*	H	α-helix	trans	-86.1	-22.5	-177.7	-70.9	-19.6	0	0	0	113.3	D25	D25-D27 VanDerWaalsContact C-N 3.29Å; D25-D27 PolarHBondContact O-N 3.01Å
28	A	35.9	Very low	39.1	Very low	57 Å²	57	104.8 Å²	104.8	47%	0.471	61%	0.614	S	S	.	*	H	α-helix	trans	-74.3	-39.5	177.4	0	0	0	0	0	111.9	D25 N30 S31	D25-A28 PolarHBondContact O-N 3.36Å; A28-N30 PolarHBondContact O-N 2.88Å; A28-S31 PolarHBondContact O-N 3.39Å; A28-S31 PolarHBondContact O-OG 3.38Å
29	V	38.5	Very low	40.5	Very low	96 Å²	96	103.9 Å²	103.9	58%	0.582	60%	0.602	S	S	*	*	H	α-helix	trans	-66.4	-36.8	-176.8	-179.6	0	0	0	0	112.1	S31 S33	V29-S31 VanDerWaalsContact C-N 3.33Å; V29-S31 PolarHBondContact O-N 3.04Å; V29-S33 PolarHBondContact O-N 3.08Å
30	N	37	Very low	41.8	Very low	119 Å²	119	101.3 Å²	101.3	64%	0.636	58%	0.575	S	S	*	*	H	α-helix	trans	-69.1	-28.6	177.1	-95	-22.3	0	0	0	113.4	A28 A34	A28-N30 PolarHBondContact O-N 2.88Å; N30-A34 PolarHBondContact O-N 2.96Å
31	S	37.1	Very low	43.4	Very low	54 Å²	54	98.4 Å²	98.4	38%	0.378	56%	0.562	S	S	.	*	H	α-helix	trans	-72.6	-31.2	-179.5	88.1	0	0	0	0	112.9	A28 V29 K35	A28-S31 PolarHBondContact O-N 3.39Å; A28-S31 PolarHBondContact O-OG 3.38Å; V29-S31 VanDerWaalsContact C-N 3.33Å; V29-S31 PolarHBondContact O-N 3.04Å; S31-K35 VanDerWaalsContact O-CG 3.32Å; S31-K35 WeakPolarHBondContact O-CG 3.47Å; S31-K35 PolarHBondContact O-N 3.45Å
32	D	47	Very low	45	Very low	96 Å²	96	96.5 Å²	96.5	51%	0.513	55%	0.553	S	S	.	*	H	α-helix	trans	-80	-39.7	179.6	-85.9	-13.6	0	0	0	111.7	A34 K35 T36	D32-A34 VanDerWaalsContact C-N 3.33Å; D32-A34 PolarHBondContact O-N 3.06Å; D32-K35 PolarHBondContact O-N 3.16Å; D32-K35 IonicContact OD1-NZ 3.78Å; D32-T36 WeakPolarHBondContact O-CB 3.32Å; D32-T36 PolarHBondContact O-N 3.06Å; D32-T36 PolarHBondContact O-OG1 3.43Å
33	S	42.4	Very low	46.4	Very low	66 Å²	66	92.3 Å²	92.3	46%	0.462	52%	0.523	S	S	.	.	H	α-helix	trans	-60.2	-39.6	173.9	-65.9	0	0	0	0	112.9	V29 T36 L37	V29-S33 PolarHBondContact O-N 3.08Å; S33-T36 PolarHBondContact O-N 3.46Å; S33-L37 WeakPolarHBondContact O-CG 3.27Å; S33-L37 PolarHBondContact O-N 3.06Å
34	A	43.6	Very low	47.9	Very low	59 Å²	59	91.1 Å²	91.1	49%	0.488	50%	0.499	S	S	.	.	H	α-helix	trans	-69.1	-38	177	0	0	0	0	0	113	N30 D32 T36 K38	N30-A34 PolarHBondContact O-N 2.96Å; D32-A34 VanDerWaalsContact C-N 3.33Å; D32-A34 PolarHBondContact O-N 3.06Å; A34-T36 VanDerWaalsContact C-N 3.35Å; A34-K38 PolarHBondContact O-N 3.37Å
35	K	51.8	Low	49.4	Very low	117 Å²	117	86 Å²	86	51%	0.509	48%	0.476	S	S	.	.	H	α-helix	trans	-65.4	-39.6	173.1	-75.6	170.6	-171.1	159.4	0	111.5	S31 D32 K39	S31-K35 VanDerWaalsContact O-CG 3.32Å; S31-K35 WeakPolarHBondContact O-CG 3.47Å; S31-K35 PolarHBondContact O-N 3.45Å; D32-K35 PolarHBondContact O-N 3.16Å; D32-K35 IonicContact OD1-NZ 3.78Å; K35-K39 WeakPolarHBondContact O-CG 3.37Å; K35-K39 PolarHBondContact O-N 3.37Å; K35-K39 VanDerWaalsContact O-N 3.08Å
36	T	53.5	Low	50.9	Low	46 Å²	46	87.7 Å²	87.7	28%	0.282	48%	0.478	S	S	.	.	H	α-helix	trans	-62.6	-49.8	176.3	-60.8	0	0	0	0	110.1	D32 S33 A34 K38 K39 A40 E290 Y291	D32-T36 WeakPolarHBondContact O-CB 3.32Å; D32-T36 PolarHBondContact O-N 3.06Å; D32-T36 PolarHBondContact O-OG1 3.43Å; S33-T36 PolarHBondContact O-N 3.46Å; A34-T36 VanDerWaalsContact C-N 3.35Å; T36-K38 PolarHBondContact O-N 2.92Å; T36-K39 WeakPolarHBondContact O-CB 3.49Å; T36-K39 PolarHBondContact O-N 3.17Å; T36-K39 VanDerWaalsContact O-N 3.16Å; T36-A40 PolarHBondContact O-N 3.47Å; T36-E290 WeakPolarHBondContact CG2-OE1 3.42Å; T36-Y291 WeakPolarHBondContact CG2-OH 3.01Å; T36-Y291 PolarHBondContact O-OH 3.17Å
37	L	52.4	Low	52.2	Low	117 Å²	117	83.6 Å²	83.6	61%	0.613	45%	0.449	S	S	*	.	H	α-helix	trans	-58	-43.9	176.8	-77.1	165.2	0	0	0	113.2	S33 K39 A40 E41	S33-L37 WeakPolarHBondContact O-CG 3.27Å; S33-L37 PolarHBondContact O-N 3.06Å; L37-K39 VanDerWaalsContact C-N 3.33Å; L37-K39 PolarHBondContact O-N 2.8Å; L37-A40 WeakPolarHBondContact O-CA 3.42Å; L37-A40 WeakPolarHBondContact O-CB 3.21Å; L37-A40 PolarHBondContact O-N 3.03Å; L37-E41 PolarHBondContact O-N 2.73Å
38	K	57.7	Low	53.6	Low	140 Å²	140	79.3 Å²	79.3	61%	0.609	43%	0.433	S	S	*	.	H	α-helix	trans	-65.1	-37.4	178	-165.4	174.5	-175.2	176	0	112.5	A34 T36 A40 E41 D42	A34-K38 PolarHBondContact O-N 3.37Å; T36-K38 PolarHBondContact O-N 2.92Å; K38-A40 VanDerWaalsContact C-N 3.3Å; K38-E41 PolarHBondContact O-N 2.8Å; K38-D42 PolarHBondContact O-N 3.38Å
39	K	58.2	Low	55.2	Low	139 Å²	139	85.2 Å²	85.2	60%	0.604	44%	0.443	S	S	*	.	H	α-helix	trans	-66.7	-32.4	172.1	-73.5	178.3	-179.7	178.4	0	111.9	K35 T36 L37 Y43	K35-K39 WeakPolarHBondContact O-CG 3.37Å; K35-K39 PolarHBondContact O-N 3.37Å; K35-K39 VanDerWaalsContact O-N 3.08Å; T36-K39 WeakPolarHBondContact O-CB 3.49Å; T36-K39 PolarHBondContact O-N 3.17Å; T36-K39 VanDerWaalsContact O-N 3.16Å; L37-K39 VanDerWaalsContact C-N 3.33Å; L37-K39 PolarHBondContact O-N 2.8Å; K39-Y43 WeakPolarHBondContact O-CB 3.44Å; K39-Y43 PolarHBondContact O-N 3.04Å
40	A	55.6	Low	56.6	Low	7 Å²	7	83 Å²	83	6%	0.058	43%	0.426	C	S	.	.	H	α-helix	trans	-56.3	-54	170.9	0	0	0	0	0	110.7	T36 L37 K38 D42 Y43 L44 Y291	T36-A40 PolarHBondContact O-N 3.47Å; L37-A40 WeakPolarHBondContact O-CA 3.42Å; L37-A40 WeakPolarHBondContact O-CB 3.21Å; L37-A40 PolarHBondContact O-N 3.03Å; K38-A40 VanDerWaalsContact C-N 3.3Å; A40-D42 VanDerWaalsContact C-N 3.32Å; A40-D42 PolarHBondContact O-N 2.93Å; A40-Y43 PolarHBondContact O-N 3.09Å; A40-Y43 VanDerWaalsContact O-N 3.17Å; A40-L44 WeakPolarHBondContact O-CB 3.49Å; A40-L44 WeakPolarHBondContact O-CG 2.96Å; A40-L44 PolarHBondContact O-N 2.93Å; A40-Y291 WeakPolarHBondContact CA-OH 3.4Å; A40-Y291 HydrophobicContact CB-CD1 4.45Å; A40-Y291 HydrophobicContact CB-CE1 3.3Å; A40-Y291 WeakPolarHBondContact CB-OH 3.4Å; A40-Y291 PolarHBondContact N-OH 3.04Å
41	E	60.9	Low	58.1	Low	134 Å²	134	79.4 Å²	79.4	63%	0.626	40%	0.404	S	S	*	.	H	α-helix	trans	-63.8	-41.4	-174.9	-70.4	-179.5	160.4	0	0	110.6	L37 K38 Y43 L44 S45	L37-E41 PolarHBondContact O-N 2.73Å; K38-E41 PolarHBondContact O-N 2.8Å; E41-Y43 PolarHBondContact O-N 3.36Å; E41-L44 PolarHBondContact O-N 2.83Å; E41-S45 WeakPolarHBondContact O-CB 3.35Å; E41-S45 PolarHBondContact O-N 3.48Å
42	D	64.1	Low	59.6	Low	95 Å²	95	81.9 Å²	81.9	51%	0.508	41%	0.413	S	S	.	.	H	α-helix	trans	-61.7	-42.1	174.5	-83.3	-12.1	0	0	0	112.1	K38 A40 S45 K46	K38-D42 PolarHBondContact O-N 3.38Å; A40-D42 VanDerWaalsContact C-N 3.32Å; A40-D42 PolarHBondContact O-N 2.93Å; D42-S45 PolarHBondContact O-N 3.45Å; D42-K46 WeakPolarHBondContact O-CG 3.33Å; D42-K46 PolarHBondContact O-N 3.17Å
43	Y	62.5	Low	60.8	Low	36 Å²	36	82.8 Å²	82.8	14%	0.141	41%	0.413	C	S	.	.	H	α-helix	trans	-71	-44	178.3	-170.7	-81.9	0	0	0	111.9	K39 A40 E41 S45 K46 C47 L281 W287	K39-Y43 WeakPolarHBondContact O-CB 3.44Å; K39-Y43 PolarHBondContact O-N 3.04Å; A40-Y43 PolarHBondContact O-N 3.09Å; A40-Y43 VanDerWaalsContact O-N 3.17Å; E41-Y43 PolarHBondContact O-N 3.36Å; Y43-S45 PolarHBondContact O-N 2.83Å; Y43-K46 WeakPolarHBondContact O-CB 3.39Å; Y43-K46 PolarHBondContact O-N 2.87Å; Y43-K46 VanDerWaalsContact O-N 3.09Å; Y43-C47 VanDerWaalsContact CD1-SG 3.57Å; Y43-C47 WeakPolarHBondContact CE1-SG 3.32Å; Y43-C47 PolarHBondContact O-N 3.34Å; Y43-L281 PolarHBondContact OH-O 3.31Å; Y43-W287 HydrophobicContact CD1-CD2 4.5Å; Y43-W287 HydrophobicContact CD1-CE3 4.08Å; Y43-W287 AromaticContact CD1-CH2 2.9Å; Y43-W287 HydrophobicContact CD1-CH2 2.9Å; Y43-W287 AromaticContact CD1-CZ2 3.37Å; Y43-W287 HydrophobicContact CD1-CZ2 3.37Å; Y43-W287 AromaticContact CD1-CZ3 3.3Å; Y43-W287 HydrophobicContact CD1-CZ3 3.3Å; Y43-W287 AromaticContact CD2-CD2 3.91Å; Y43-W287 HydrophobicContact CD2-CD2 3.91Å; Y43-W287 AromaticContact CD2-CE2 3.81Å; Y43-W287 AromaticContact CD2-CE3 3.96Å; Y43-W287 HydrophobicContact CD2-CE3 3.96Å; Y43-W287 HydrophobicContact CD2-CH2 4.02Å; Y43-W287 AromaticContact CD2-CZ2 3.89Å; Y43-W287 HydrophobicContact CD2-CZ2 3.89Å; Y43-W287 HydrophobicContact CD2-CZ3 4.03Å; Y43-W287 AromaticContact CE1-CE3 3.8Å; Y43-W287 HydrophobicContact CE1-CE3 3.8Å; Y43-W287 AromaticContact CE1-CH2 3.24Å; Y43-W287 HydrophobicContact CE1-CH2 3.24Å; Y43-W287 HydrophobicContact CE1-CZ2 4.07Å; Y43-W287 AromaticContact CE1-CZ3 3.05Å; Y43-W287 HydrophobicContact CE1-CZ3 3.05Å; Y43-W287 HydrophobicContact CE2-CD2 4.05Å; Y43-W287 AromaticContact CE2-CE3 3.7Å; Y43-W287 HydrophobicContact CE2-CE3 3.7Å; Y43-W287 HydrophobicContact CE2-CH2 4.3Å; Y43-W287 AromaticContact CE2-CZ3 3.85Å; Y43-W287 HydrophobicContact CE2-CZ3 3.85Å; Y43-W287 HydrophobicContact CG-CD2 4.13Å; Y43-W287 AromaticContact CG-CE2 3.64Å; Y43-W287 HydrophobicContact CG-CE3 4.12Å; Y43-W287 AromaticContact CG-CH2 3.32Å; Y43-W287 HydrophobicContact CG-CH2 3.32Å; Y43-W287 AromaticContact CG-CZ2 3.23Å; Y43-W287 HydrophobicContact CG-CZ2 3.23Å; Y43-W287 AromaticContact CG-CZ3 3.76Å; Y43-W287 HydrophobicContact CG-CZ3 3.76Å; Y43-W287 AromaticContact CZ-CE3 3.6Å; Y43-W287 AromaticContact CZ-CH2 3.94Å; Y43-W287 AromaticContact CZ-CZ3 3.35Å
44	L	62.8	Low	62	Low	50 Å²	50	79.7 Å²	79.7	26%	0.262	39%	0.391	S	S	.	.	H	α-helix	trans	-59.8	-38.4	174.2	-73.1	170.3	0	0	0	110.8	A40 E41 C47 A48	A40-L44 WeakPolarHBondContact O-CB 3.49Å; A40-L44 WeakPolarHBondContact O-CG 2.96Å; A40-L44 PolarHBondContact O-N 2.93Å; E41-L44 PolarHBondContact O-N 2.83Å; L44-C47 PolarHBondContact O-N 3.37Å; L44-A48 VanDerWaalsContact O-CB 3.32Å; L44-A48 WeakPolarHBondContact O-CB 3.48Å; L44-A48 PolarHBondContact O-N 2.9Å
45	S	67.1	Low	63.3	Low	49 Å²	49	81 Å²	81	34%	0.343	39%	0.388	S	S	.	.	H	α-helix	trans	-65.5	-41.3	173.2	-167.8	0	0	0	0	112.1	E41 D42 Y43 A48 R49	E41-S45 WeakPolarHBondContact O-CB 3.35Å; E41-S45 PolarHBondContact O-N 3.48Å; D42-S45 PolarHBondContact O-N 3.45Å; Y43-S45 PolarHBondContact O-N 2.83Å; S45-A48 PolarHBondContact O-N 3.31Å; S45-R49 WeakPolarHBondContact O-CB 3.32Å; S45-R49 VanDerWaalsContact O-CG 3.27Å; S45-R49 WeakPolarHBondContact O-CG 3.43Å; S45-R49 PolarHBondContact O-N 3.5Å
46	K	67.3	Low	64.4	Low	140 Å²	140	82 Å²	82	61%	0.609	39%	0.392	S	S	*	.	H	α-helix	trans	-61.4	-45	172.9	-75.2	172.4	-176.3	176.1	0	111.7	D42 Y43 R49 F50	D42-K46 WeakPolarHBondContact O-CG 3.33Å; D42-K46 PolarHBondContact O-N 3.17Å; Y43-K46 WeakPolarHBondContact O-CB 3.39Å; Y43-K46 PolarHBondContact O-N 2.87Å; Y43-K46 VanDerWaalsContact O-N 3.09Å; K46-R49 PolarHBondContact O-N 3.4Å; K46-F50 WeakPolarHBondContact O-CB 3.4Å; K46-F50 PolarHBondContact O-N 3.02Å
47	C	64	Low	65.1	Low	3 Å²	3	83.2 Å²	83.2	2%	0.02	39%	0.394	C	S	.	.	H	α-helix	trans	-63.5	-42.6	176.4	-74.5	0	0	0	0	112.2	Y43 L44 F50 K51 I319	Y43-C47 VanDerWaalsContact CD1-SG 3.57Å; Y43-C47 WeakPolarHBondContact CE1-SG 3.32Å; Y43-C47 PolarHBondContact O-N 3.34Å; L44-C47 PolarHBondContact O-N 3.37Å; C47-F50 PolarHBondContact O-N 3.19Å; C47-K51 WeakPolarHBondContact O-CB 3.41Å; C47-K51 PolarHBondContact O-N 3.09Å; C47-I319 HydrophobicContact CB-CD1 3.52Å; C47-I319 HydrophobicContact CB-CG1 4.12Å; C47-I319 HydrophobicContact CB-CG2 4.4Å
48	A	67.3	Low	65.6	Low	45 Å²	45	78.7 Å²	78.7	37%	0.372	37%	0.37	S	S	.	.	H	α-helix	trans	-62.9	-46.9	176.3	0	0	0	0	0	111.5	L44 S45 F50 K51 D52	L44-A48 VanDerWaalsContact O-CB 3.32Å; L44-A48 WeakPolarHBondContact O-CB 3.48Å; L44-A48 PolarHBondContact O-N 2.9Å; S45-A48 PolarHBondContact O-N 3.31Å; A48-F50 VanDerWaalsContact C-N 3.28Å; A48-F50 PolarHBondContact O-N 2.88Å; A48-K51 WeakPolarHBondContact O-CB 3.36Å; A48-K51 PolarHBondContact O-N 2.91Å; A48-D52 PolarHBondContact O-N 3.48Å
49	R	68.5	Low	66.2	Low	181 Å²	181	75 Å²	75	68%	0.683	37%	0.365	S	S	*	.	H	α-helix	trans	-59.9	-39.5	175.1	-72.8	176.3	-175.3	-171.6	2.7	112.4	S45 K46 D52 F53	S45-R49 WeakPolarHBondContact O-CB 3.32Å; S45-R49 VanDerWaalsContact O-CG 3.27Å; S45-R49 WeakPolarHBondContact O-CG 3.43Å; S45-R49 PolarHBondContact O-N 3.5Å; K46-R49 PolarHBondContact O-N 3.4Å; R49-D52 PolarHBondContact O-N 3.44Å; R49-F53 WeakPolarHBondContact O-CB 3.41Å; R49-F53 PolarHBondContact O-N 2.83Å
50	F	67.9	Low	66.7	Low	51 Å²	51	73.6 Å²	73.6	22%	0.224	36%	0.361	C	S	.	.	H	α-helix	trans	-68.3	-41.5	176.9	-173	-103.9	0	0	0	111.5	K46 C47 A48 D52 F53 V54 M278 L281 F323	K46-F50 WeakPolarHBondContact O-CB 3.4Å; K46-F50 PolarHBondContact O-N 3.02Å; C47-F50 PolarHBondContact O-N 3.19Å; A48-F50 VanDerWaalsContact C-N 3.28Å; A48-F50 PolarHBondContact O-N 2.88Å; F50-D52 PolarHBondContact O-N 3.25Å; F50-F53 WeakPolarHBondContact O-CB 3.19Å; F50-F53 PolarHBondContact O-N 2.77Å; F50-V54 HydrophobicContact CD1-CG2 4Å; F50-V54 HydrophobicContact CE1-CG2 3.74Å; F50-V54 HydrophobicContact CE2-CG2 4.41Å; F50-V54 HydrophobicContact CG-CG2 4.47Å; F50-V54 HydrophobicContact CZ-CG2 3.95Å; F50-V54 WeakPolarHBondContact O-CB 3.29Å; F50-V54 WeakPolarHBondContact O-CG2 3.43Å; F50-V54 PolarHBondContact O-N 2.9Å; F50-M278 HydrophobicContact CE1-SD 3.85Å; F50-M278 HydrophobicContact CZ-SD 4.4Å; F50-L281 HydrophobicContact CB-CD1 4.08Å; F50-L281 HydrophobicContact CD1-CD1 4.06Å; F50-L281 HydrophobicContact CD1-CD2 3.59Å; F50-L281 HydrophobicContact CD1-CG 4.35Å; F50-L281 HydrophobicContact CE1-CD2 3.88Å; F50-L281 HydrophobicContact CG-CD1 4.01Å; F50-L281 HydrophobicContact CG-CD2 4.37Å; F50-F323 HydrophobicContact CD1-CZ 4.24Å; F50-F323 HydrophobicContact CE1-CE1 4.4Å; F50-F323 HydrophobicContact CE1-CE2 4.19Å; F50-F323 AromaticContact CE1-CZ 3.54Å; F50-F323 HydrophobicContact CE1-CZ 3.54Å; F50-F323 HydrophobicContact CZ-CZ 4.41Å
51	K	67.7	Low	67.1	Low	42 Å²	42	74.3 Å²	74.3	18%	0.183	36%	0.364	C	S	.	.	H	α-helix	trans	-57.1	-49	172	178.8	-176.5	174	167.6	0	110.6	C47 A48 F53 V54 M55 D318	C47-K51 WeakPolarHBondContact O-CB 3.41Å; C47-K51 PolarHBondContact O-N 3.09Å; A48-K51 WeakPolarHBondContact O-CB 3.36Å; A48-K51 PolarHBondContact O-N 2.91Å; K51-F53 VanDerWaalsContact C-N 3.31Å; K51-F53 PolarHBondContact O-N 3.15Å; K51-V54 PolarHBondContact O-N 3.22Å; K51-V54 VanDerWaalsContact O-N 3.15Å; K51-M55 HydrophobicContact CG-CG 4.06Å; K51-M55 WeakPolarHBondContact O-CB 3.46Å; K51-M55 VanDerWaalsContact O-CG 3.29Å; K51-M55 WeakPolarHBondContact O-CG 3.49Å; K51-M55 PolarHBondContact O-N 3.42Å; K51-D318 VanDerWaalsContact CD-O 3.27Å; K51-D318 WeakPolarHBondContact CD-O 3.23Å; K51-D318 WeakPolarHBondContact CE-O 3.19Å; K51-D318 VanDerWaalsContact NZ-CB 3.34Å; K51-D318 PolarHBondContact NZ-O 3.4Å
52	D	70.3	Confident	67.3	Low	107 Å²	107	74.1 Å²	74.1	57%	0.572	36%	0.361	S	S	*	.	H	α-helix	trans	-60.9	-41.3	179.6	-68.9	-21.2	0	0	0	111.9	A48 R49 F50 K56	A48-D52 PolarHBondContact O-N 3.48Å; R49-D52 PolarHBondContact O-N 3.44Å; F50-D52 PolarHBondContact O-N 3.25Å; D52-K56 VanDerWaalsContact O-CB 3.23Å; D52-K56 WeakPolarHBondContact O-CB 3.43Å; D52-K56 PolarHBondContact O-N 3.19Å
53	F	71.5	Confident	67.1	Low	115 Å²	115	71.4 Å²	71.4	50%	0.504	35%	0.352	S	S	.	.	H	α-helix	trans	-61.3	-45.3	174.4	177	-99.5	0	0	0	112.1	R49 F50 K51 K57	R49-F53 WeakPolarHBondContact O-CB 3.41Å; R49-F53 PolarHBondContact O-N 2.83Å; F50-F53 WeakPolarHBondContact O-CB 3.19Å; F50-F53 PolarHBondContact O-N 2.77Å; K51-F53 VanDerWaalsContact C-N 3.31Å; K51-F53 PolarHBondContact O-N 3.15Å; F53-K57 HydrophobicContact CE1-CD 4.17Å; F53-K57 HydrophobicContact CZ-CD 4.17Å; F53-K57 HydrophobicContact CZ-CG 4.47Å; F53-K57 PolarHBondContact O-N 3.01Å
54	V	67.8	Low	67	Low	0 Å²	0	74.3 Å²	74.3	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-65.4	-48.3	178.9	165.4	0	0	0	0	110.8	F50 K51 K56 K57 L58 L117 P322 F323	F50-V54 HydrophobicContact CD1-CG2 4Å; F50-V54 HydrophobicContact CE1-CG2 3.74Å; F50-V54 HydrophobicContact CE2-CG2 4.41Å; F50-V54 HydrophobicContact CG-CG2 4.47Å; F50-V54 HydrophobicContact CZ-CG2 3.95Å; F50-V54 WeakPolarHBondContact O-CB 3.29Å; F50-V54 WeakPolarHBondContact O-CG2 3.43Å; F50-V54 PolarHBondContact O-N 2.9Å; K51-V54 PolarHBondContact O-N 3.22Å; K51-V54 VanDerWaalsContact O-N 3.15Å; V54-K56 VanDerWaalsContact C-N 3.32Å; V54-K56 PolarHBondContact O-N 3.05Å; V54-K57 PolarHBondContact O-N 3.46Å; V54-L58 HydrophobicContact CG1-CD1 3.75Å; V54-L58 HydrophobicContact CG1-CG 4.28Å; V54-L58 WeakPolarHBondContact O-CB 3.27Å; V54-L58 VanDerWaalsContact O-CG 3.29Å; V54-L58 WeakPolarHBondContact O-CG 3.23Å; V54-L58 PolarHBondContact O-N 2.82Å; V54-L117 HydrophobicContact CB-CD1 4.36Å; V54-L117 HydrophobicContact CG1-CD1 3.62Å; V54-L117 HydrophobicContact CG2-CD1 4.24Å; V54-L117 HydrophobicContact CG2-CD2 4.29Å; V54-P322 HydrophobicContact CG1-CB 3.8Å; V54-P322 HydrophobicContact CG1-CG 4.09Å; V54-F323 HydrophobicContact CB-CZ 4.3Å; V54-F323 HydrophobicContact CG1-CE1 4.24Å; V54-F323 HydrophobicContact CG1-CZ 3.88Å; V54-F323 HydrophobicContact CG2-CE1 4.34Å; V54-F323 HydrophobicContact CG2-CZ 3.7Å
55	M	70.7	Confident	66.9	Low	86 Å²	86	72.4 Å²	72.4	42%	0.424	36%	0.358	S	S	.	.	H	α-helix	trans	-62.6	-39.8	179.1	-71.8	-60.2	-70.4	0	0	111.6	K51 L58 A59 P322	K51-M55 HydrophobicContact CG-CG 4.06Å; K51-M55 WeakPolarHBondContact O-CB 3.46Å; K51-M55 VanDerWaalsContact O-CG 3.29Å; K51-M55 WeakPolarHBondContact O-CG 3.49Å; K51-M55 PolarHBondContact O-N 3.42Å; M55-L58 PolarHBondContact O-N 3.48Å; M55-L58 HydrophobicContact SD-CD1 4.46Å; M55-A59 VanDerWaalsContact O-CB 3.28Å; M55-A59 WeakPolarHBondContact O-CB 3.29Å; M55-A59 PolarHBondContact O-N 3.04Å; M55-P322 HydrophobicContact SD-CB 4.18Å
56	K	73.8	Confident	66.7	Low	138 Å²	138	75.4 Å²	75.4	60%	0.6	37%	0.366	S	S	*	.	H	α-helix	trans	-61.7	-48.3	173.9	-175	178.7	177	-178.1	0	111.5	D52 V54 L58 A59 E60	D52-K56 VanDerWaalsContact O-CB 3.23Å; D52-K56 WeakPolarHBondContact O-CB 3.43Å; D52-K56 PolarHBondContact O-N 3.19Å; V54-K56 VanDerWaalsContact C-N 3.32Å; V54-K56 PolarHBondContact O-N 3.05Å; K56-L58 PolarHBondContact O-N 3.46Å; K56-A59 PolarHBondContact O-N 3.34Å; K56-E60 WeakPolarHBondContact CE-OE1 3.37Å; K56-E60 WeakPolarHBondContact O-CG 3.44Å; K56-E60 PolarHBondContact O-N 3.43Å
57	K	68.2	Low	66.4	Low	73 Å²	73	77.4 Å²	77.4	32%	0.317	37%	0.37	S	S	.	.	H	α-helix	trans	-60.4	-43.3	175.5	-85.7	-152.9	173	-171.5	0	112.6	F53 V54 E60 N61 A115	F53-K57 HydrophobicContact CE1-CD 4.17Å; F53-K57 HydrophobicContact CZ-CD 4.17Å; F53-K57 HydrophobicContact CZ-CG 4.47Å; F53-K57 PolarHBondContact O-N 3.01Å; V54-K57 PolarHBondContact O-N 3.46Å; K57-E60 PolarHBondContact O-N 2.83Å; K57-N61 WeakPolarHBondContact O-CB 3.17Å; K57-N61 VanDerWaalsContact O-CG 3.25Å; K57-N61 PolarHBondContact O-N 3.49Å; K57-N61 PolarHBondContact O-ND2 3.47Å; K57-A115 HydrophobicContact CB-CB 4.36Å
58	L	64.5	Low	66.2	Low	21 Å²	21	79.5 Å²	79.5	11%	0.11	38%	0.381	C	S	.	.	H	α-helix	trans	-65	-39.8	178.2	-72.1	174.3	0	0	0	111.4	V54 M55 K56 N61 K62 A115 L117 P322	V54-L58 HydrophobicContact CG1-CD1 3.75Å; V54-L58 HydrophobicContact CG1-CG 4.28Å; V54-L58 WeakPolarHBondContact O-CB 3.27Å; V54-L58 VanDerWaalsContact O-CG 3.29Å; V54-L58 WeakPolarHBondContact O-CG 3.23Å; V54-L58 PolarHBondContact O-N 2.82Å; M55-L58 PolarHBondContact O-N 3.48Å; M55-L58 HydrophobicContact SD-CD1 4.46Å; K56-L58 PolarHBondContact O-N 3.46Å; L58-N61 PolarHBondContact O-N 3.43Å; L58-K62 WeakPolarHBondContact O-CB 3.41Å; L58-K62 PolarHBondContact O-N 3.29Å; L58-A115 HydrophobicContact CD2-CB 4.27Å; L58-L117 HydrophobicContact CD2-CD1 4.29Å; L58-L117 HydrophobicContact CG-CD1 4.33Å; L58-P322 HydrophobicContact CD1-CB 3.77Å
59	A	69.3	Low	65.9	Low	62 Å²	62	79.2 Å²	79.2	51%	0.512	37%	0.373	S	S	.	.	H	α-helix	trans	-65.6	-44.1	176.4	0	0	0	0	0	112.3	M55 K56 N61 K62 A63	M55-A59 VanDerWaalsContact O-CB 3.28Å; M55-A59 WeakPolarHBondContact O-CB 3.29Å; M55-A59 PolarHBondContact O-N 3.04Å; K56-A59 PolarHBondContact O-N 3.34Å; A59-N61 VanDerWaalsContact C-N 3.29Å; A59-N61 PolarHBondContact O-N 3.08Å; A59-K62 PolarHBondContact O-N 3.07Å; A59-A63 PolarHBondContact O-N 3.39Å
60	E	68.7	Low	65.3	Low	110 Å²	110	73.3 Å²	73.3	51%	0.514	36%	0.36	S	S	.	.	H	α-helix	trans	-57.5	-43.2	173.5	-73.2	171.2	-174.8	0	0	111.1	K56 K57 M64	K56-E60 WeakPolarHBondContact CE-OE1 3.37Å; K56-E60 WeakPolarHBondContact O-CG 3.44Å; K56-E60 PolarHBondContact O-N 3.43Å; K57-E60 PolarHBondContact O-N 2.83Å; E60-M64 PolarHBondContact O-N 3.41Å
61	N	63.4	Low	64.7	Low	23 Å²	23	74 Å²	74	12%	0.123	37%	0.374	C	S	.	.	H	α-helix	trans	-73.4	-36.1	179.2	-71.9	-15.4	0	0	0	113.5	K57 L58 A59 A63 M64 I65 S111 L114 A115	K57-N61 WeakPolarHBondContact O-CB 3.17Å; K57-N61 VanDerWaalsContact O-CG 3.25Å; K57-N61 PolarHBondContact O-N 3.49Å; K57-N61 PolarHBondContact O-ND2 3.47Å; L58-N61 PolarHBondContact O-N 3.43Å; A59-N61 VanDerWaalsContact C-N 3.29Å; A59-N61 PolarHBondContact O-N 3.08Å; N61-A63 VanDerWaalsContact C-N 3.31Å; N61-A63 PolarHBondContact O-N 3.02Å; N61-M64 CarbonylContact O-C 3.55Å; N61-M64 WeakPolarHBondContact O-CA 3.42Å; N61-M64 WeakPolarHBondContact O-CB 3.37Å; N61-M64 PolarHBondContact O-N 3.03Å; N61-I65 WeakPolarHBondContact O-CG1 3.29Å; N61-I65 PolarHBondContact O-N 2.79Å; N61-S111 PolarHBondContact ND2-O 3.15Å; N61-L114 HydrophobicContact CB-CB 4.34Å; N61-L114 WeakPolarHBondContact ND2-CB 3.45Å; N61-A115 VanDerWaalsContact ND2-CA 3.34Å; N61-A115 WeakPolarHBondContact ND2-CA 3.34Å; N61-A115 WeakPolarHBondContact ND2-CB 3.41Å; N61-A115 PolarHBondContact ND2-N 3.38Å
62	K	65.3	Low	64	Low	130 Å²	130	77.6 Å²	77.6	57%	0.565	39%	0.392	S	S	*	.	H	α-helix	trans	-59.9	-44.4	176.2	-172.6	178.3	177.7	-178	0	110.6	L58 A59 M64 I65 E66	L58-K62 WeakPolarHBondContact O-CB 3.41Å; L58-K62 PolarHBondContact O-N 3.29Å; A59-K62 PolarHBondContact O-N 3.07Å; K62-M64 VanDerWaalsContact C-N 3.28Å; K62-M64 PolarHBondContact O-N 3.44Å; K62-I65 PolarHBondContact O-N 3.3Å; K62-E66 VanDerWaalsContact CE-OE1 3.32Å; K62-E66 WeakPolarHBondContact CE-OE1 3.42Å; K62-E66 WeakPolarHBondContact O-CG 3.28Å; K62-E66 PolarHBondContact O-N 3.39Å
63	A	61.6	Low	62.9	Low	38 Å²	38	75.4 Å²	75.4	31%	0.314	39%	0.385	S	S	.	.	H	α-helix	trans	-62.1	-34.9	173.9	0	0	0	0	0	112.4	A59 N61 R67	A59-A63 PolarHBondContact O-N 3.39Å; N61-A63 VanDerWaalsContact C-N 3.31Å; N61-A63 PolarHBondContact O-N 3.02Å; A63-R67 WeakPolarHBondContact O-CG 3.41Å; A63-R67 PolarHBondContact O-N 3.36Å; A63-R67 VanDerWaalsContact O-N 3.15Å
64	M	60.4	Low	61.5	Low	97 Å²	97	74.7 Å²	74.7	48%	0.478	39%	0.386	S	S	.	.	H	α-helix	trans	-67.8	-44	174.6	-172	175.5	-178.2	0	0	112.2	E60 N61 K62 R67 I68	E60-M64 PolarHBondContact O-N 3.41Å; N61-M64 CarbonylContact O-C 3.55Å; N61-M64 WeakPolarHBondContact O-CA 3.42Å; N61-M64 WeakPolarHBondContact O-CB 3.37Å; N61-M64 PolarHBondContact O-N 3.03Å; K62-M64 VanDerWaalsContact C-N 3.28Å; K62-M64 PolarHBondContact O-N 3.44Å; M64-R67 WeakPolarHBondContact O-CB 3.44Å; M64-R67 PolarHBondContact O-N 3.49Å; M64-I68 HydrophobicContact CE-CD1 4.42Å; M64-I68 HydrophobicContact CG-CD1 4.14Å; M64-I68 WeakPolarHBondContact O-CG1 3.06Å; M64-I68 PolarHBondContact O-N 3.14Å
65	I	59.3	Low	60.3	Low	10 Å²	10	78 Å²	78	5%	0.051	42%	0.42	C	S	.	.	H	α-helix	trans	-62.9	-46.6	177.9	-67	166.8	0	0	0	110.4	N61 K62 R67 I68 D69 K110 L114	N61-I65 WeakPolarHBondContact O-CG1 3.29Å; N61-I65 PolarHBondContact O-N 2.79Å; K62-I65 PolarHBondContact O-N 3.3Å; I65-R67 VanDerWaalsContact C-N 3.28Å; I65-R67 PolarHBondContact O-N 3.35Å; I65-I68 PolarHBondContact O-N 2.85Å; I65-I68 VanDerWaalsContact O-N 3.15Å; I65-D69 PolarHBondContact O-N 3.47Å; I65-K110 HydrophobicContact CD1-CD 4.38Å; I65-K110 HydrophobicContact CD1-CG 4.33Å; I65-K110 HydrophobicContact CG1-CD 4.37Å; I65-L114 HydrophobicContact CD1-CD1 4.11Å; I65-L114 HydrophobicContact CG1-CD1 3.88Å
66	E	64.4	Low	58.9	Low	111 Å²	111	81.1 Å²	81.1	52%	0.519	43%	0.432	S	S	.	.	H	α-helix	trans	-60.9	-37.4	177.7	-72.7	173.3	-174.5	0	0	112	K62 S70	K62-E66 VanDerWaalsContact CE-OE1 3.32Å; K62-E66 WeakPolarHBondContact CE-OE1 3.42Å; K62-E66 WeakPolarHBondContact O-CG 3.28Å; K62-E66 PolarHBondContact O-N 3.39Å; E66-S70 WeakPolarHBondContact O-CB 3.27Å; E66-S70 PolarHBondContact O-N 2.96Å; E66-S70 PolarHBondContact O-OG 3.41Å
67	R	60.1	Low	57	Low	182 Å²	182	82.3 Å²	82.3	69%	0.687	44%	0.437	S	S	*	.	H	α-helix	trans	-64.5	-45.7	173.5	-74.9	171.5	-170.7	174	4.6	111.9	A63 M64 I65 S70 A71	A63-R67 WeakPolarHBondContact O-CG 3.41Å; A63-R67 PolarHBondContact O-N 3.36Å; A63-R67 VanDerWaalsContact O-N 3.15Å; M64-R67 WeakPolarHBondContact O-CB 3.44Å; M64-R67 PolarHBondContact O-N 3.49Å; I65-R67 VanDerWaalsContact C-N 3.28Å; I65-R67 PolarHBondContact O-N 3.35Å; R67-S70 PolarHBondContact O-N 3.2Å; R67-S70 PolarHBondContact O-OG 3.25Å; R67-A71 PolarHBondContact O-N 3.46Å
68	I	60.1	Low	55.3	Low	47 Å²	47	90 Å²	90	24%	0.241	46%	0.464	C	S	.	.	H	α-helix	trans	-62	-46.3	178.4	-67.7	167.4	0	0	0	110.2	M64 I65 S70 A71 H72	M64-I68 HydrophobicContact CE-CD1 4.42Å; M64-I68 HydrophobicContact CG-CD1 4.14Å; M64-I68 WeakPolarHBondContact O-CG1 3.06Å; M64-I68 PolarHBondContact O-N 3.14Å; I65-I68 PolarHBondContact O-N 2.85Å; I65-I68 VanDerWaalsContact O-N 3.15Å; I68-S70 VanDerWaalsContact C-N 3.33Å; I68-S70 PolarHBondContact O-N 3.25Å; I68-A71 PolarHBondContact O-N 3.16Å; I68-H72 PolarHBondContact O-N 3.18Å; I68-H72 VanDerWaalsContact O-N 3.08Å; I68-H72 PolarHBondContact O-ND1 3.41Å
69	D	59.9	Low	53.7	Low	40 Å²	40	99 Å²	99	21%	0.214	50%	0.502	C	S	.	.	H	α-helix	trans	-60.4	-43	177.2	-75.8	-5.2	0	0	0	111.2	I65 A71 H72 S73 K107	I65-D69 PolarHBondContact O-N 3.47Å; D69-A71 VanDerWaalsContact C-N 3.34Å; D69-A71 PolarHBondContact O-N 2.99Å; D69-H72 PolarHBondContact O-N 2.66Å; D69-S73 PolarHBondContact O-N 2.95Å; D69-K107 WeakPolarHBondContact OD2-CE 3.34Å; D69-K107 IonicContact OD2-NZ 3.01Å; D69-K107 PolarHBondContact OD2-NZ 2.79Å
70	S	57.5	Low	52	Low	57 Å²	57	102.8 Å²	102.8	40%	0.399	52%	0.519	S	S	.	.	H	α-helix	trans	-63.9	-37.7	177.4	77	0	0	0	0	112.7	E66 R67 I68 S73 N74	E66-S70 WeakPolarHBondContact O-CB 3.27Å; E66-S70 PolarHBondContact O-N 2.96Å; E66-S70 PolarHBondContact O-OG 3.41Å; R67-S70 PolarHBondContact O-N 3.2Å; R67-S70 PolarHBondContact O-OG 3.25Å; I68-S70 VanDerWaalsContact C-N 3.33Å; I68-S70 PolarHBondContact O-N 3.25Å; S70-S73 PolarHBondContact O-N 3.34Å; S70-S73 PolarHBondContact O-OG 3.32Å; S70-N74 PolarHBondContact O-N 3.04Å; S70-N74 VanDerWaalsContact O-N 3.12Å
71	A	54.4	Low	50.2	Low	65 Å²	65	107.3 Å²	107.3	54%	0.537	54%	0.537	S	S	.	.	H	α-helix	trans	-66.9	-39.2	177.3	0	0	0	0	0	112.1	R67 I68 D69	R67-A71 PolarHBondContact O-N 3.46Å; I68-A71 PolarHBondContact O-N 3.16Å; D69-A71 VanDerWaalsContact C-N 3.34Å; D69-A71 PolarHBondContact O-N 2.99Å
72	H	52.7	Low	48.5	Very low	118 Å²	118	117.9 Å²	117.9	55%	0.546	58%	0.575	S	S	.	*	H	α-helix	trans	-70.9	-35.5	176.4	-71.6	82.9	0	0	0	112.3	I68 D69 G75	I68-H72 PolarHBondContact O-N 3.18Å; I68-H72 VanDerWaalsContact O-N 3.08Å; I68-H72 PolarHBondContact O-ND1 3.41Å; D69-H72 PolarHBondContact O-N 2.66Å; H72-G75 PolarHBondContact O-N 3.13Å
73	S	47.6	Very low	47	Very low	61 Å²	61	117.5 Å²	117.5	43%	0.427	58%	0.584	S	S	.	*	H	α-helix	trans	-70.3	-32.5	177.3	74.7	0	0	0	0	113.4	D69 S70 G75 K76	D69-S73 PolarHBondContact O-N 2.95Å; S70-S73 PolarHBondContact O-N 3.34Å; S70-S73 PolarHBondContact O-OG 3.32Å; S73-G75 VanDerWaalsContact C-N 3.29Å; S73-G75 PolarHBondContact O-N 3.29Å; S73-K76 PolarHBondContact O-N 3.28Å
74	N	41.7	Very low	45.6	Very low	99 Å²	99	123.8 Å²	123.8	53%	0.529	61%	0.612	S	S	.	*	H	α-helix	trans	-74.2	-16.4	178.7	-83.6	-25.5	0	0	0	113.6	S70 K77	S70-N74 PolarHBondContact O-N 3.04Å; S70-N74 VanDerWaalsContact O-N 3.12Å; N74-K77 WeakPolarHBondContact OD1-CE 3.42Å; N74-K77 PolarHBondContact OD1-NZ 3.36Å
75	G	43.1	Very low	44.3	Very low	70 Å²	70	127.4 Å²	127.4	72%	0.722	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-13.6	174.3	0	0	0	0	0	115.5	H72 S73	H72-G75 PolarHBondContact O-N 3.13Å; S73-G75 VanDerWaalsContact C-N 3.29Å; S73-G75 PolarHBondContact O-N 3.29Å
76	K	41.3	Very low	43.3	Very low	151 Å²	151	131.5 Å²	131.5	66%	0.657	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.9	12.1	-176.2	-76.7	-177	-177.2	170.7	0	114.8	S73 R78 D90	S73-K76 PolarHBondContact O-N 3.28Å; K76-R78 VanDerWaalsContact C-N 3.32Å; K76-R78 PolarHBondContact O-N 2.76Å; K76-D90 IonicContact NZ-OD2 3.67Å; K76-D90 PolarHBondContact NZ-OD2 2.74Å
77	K	32.8	Very low	42.2	Very low	164 Å²	164	131.2 Å²	131.2	71%	0.713	66%	0.66	S	S	*	*			trans	-73	77.3	-179.8	-77.8	-179.1	177.3	162.1	0	113.3	N74	N74-K77 WeakPolarHBondContact OD1-CE 3.42Å; N74-K77 PolarHBondContact OD1-NZ 3.36Å
78	R	33.3	Very low	41.9	Very low	233 Å²	233	130.2 Å²	130.2	88%	0.879	66%	0.664	S	S	*	*			trans	-105.3	113.5	156.2	-103.2	180	157.3	165.1	-5.3	108.9	K76 T80	K76-R78 VanDerWaalsContact C-N 3.32Å; K76-R78 PolarHBondContact O-N 2.76Å; R78-T80 PolarHBondContact O-N 3.12Å
79	K	29.9	Very low	42.2	Very low	211 Å²	211	129.4 Å²	129.4	92%	0.917	66%	0.658	S	S	*	*			trans	-14.3	107.7	173.6	-65.8	175.2	175.3	177.3	0	116.7
80	T	33.4	Very low	42.7	Very low	142 Å²	142	132.1 Å²	132.1	87%	0.871	67%	0.672	S	S	*	*			trans	-142.7	141.9	151.6	25.5	0	0	0	0	110.9	R78	R78-T80 PolarHBondContact O-N 3.12Å
81	K	31.6	Very low	43.6	Very low	204 Å²	204	129.8 Å²	129.8	89%	0.887	66%	0.655	S	S	*	*			trans	-78.6	140	-170.5	-77.1	170	168.2	175.9	0	112.1
82	R	27.8	Very low	44.4	Very low	246 Å²	246	128.7 Å²	128.7	93%	0.928	64%	0.643	S	S	*	*			trans	19.2	100.3	148.7	-70.9	-177.4	173	177	-3.3	117.6
83	V	33	Very low	45.7	Very low	122 Å²	122	125 Å²	125	74%	0.739	62%	0.624	S	S	*	*			trans	-153.2	145.8	135	-176.1	0	0	0	0	106.2	E85	V83-E85 VanDerWaalsContact C-N 3.29Å; V83-E85 PolarHBondContact O-N 2.88Å
84	D	32.4	Very low	47.6	Very low	169 Å²	169	123.3 Å²	123.3	90%	0.904	61%	0.609	S	S	*	*			trans	-60.3	74.5	-178.8	-59.8	-58.9	0	0	0	113.9
85	E	33.1	Very low	49.7	Very low	174 Å²	174	121.9 Å²	121.9	81%	0.813	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-99.4	116	175.6	-73.8	-176.4	160.3	0	0	110.9	V83	V83-E85 VanDerWaalsContact C-N 3.29Å; V83-E85 PolarHBondContact O-N 2.88Å
86	V	38.4	Very low	51.6	Low	95 Å²	95	120.7 Å²	120.7	58%	0.576	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-54.1	134	171	179.7	0	0	0	0	109.1	E88	V86-E88 PolarHBondContact O-N 3.48Å; V86-E88 VanDerWaalsContact O-N 3.13Å
87	P	42.3	Very low	53.7	Low	105 Å²	105	122.7 Å²	122.7	68%	0.682	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-55.5	121.7	-177.2	15.4	-26	0	0	0	111.3	Y89	P87-Y89 PolarHBondContact O-N 2.95Å
88	E	54.1	Low	56.2	Low	162 Å²	162	116.2 Å²	116.2	76%	0.757	57%	0.574	S	S	*	*			trans	-62.6	104.4	-179.7	-148.1	170.6	-154.6	0	0	108.6	V86 D90	V86-E88 PolarHBondContact O-N 3.48Å; V86-E88 VanDerWaalsContact O-N 3.13Å; E88-D90 PolarHBondContact O-N 3.08Å
89	Y	66	Low	58.8	Low	30 Å²	30	109.3 Å²	109.3	12%	0.118	55%	0.548	C	S	.	.			trans	-70.7	87.6	171.3	-169.6	-106	0	0	0	107.5	P87 I91 I103 V106 K107 K110 D139	P87-Y89 PolarHBondContact O-N 2.95Å; Y89-I91 HydrophobicContact CD1-CD1 3.64Å; Y89-I91 HydrophobicContact CD1-CG1 3.44Å; Y89-I91 VanDerWaalsContact CD1-CG1 3.44Å; Y89-I91 HydrophobicContact CE1-CD1 3.63Å; Y89-I91 HydrophobicContact CE1-CG1 3.49Å; Y89-I91 VanDerWaalsContact CE1-CG1 3.49Å; Y89-I91 PolarHBondContact O-N 3.37Å; Y89-I103 HydrophobicContact CD1-CG2 4.33Å; Y89-I103 HydrophobicContact CG-CG2 3.98Å; Y89-V106 HydrophobicContact CE1-CG1 4Å; Y89-K107 VanDerWaalsContact CD2-CE 3.43Å; Y89-K107 HydrophobicContact CE2-CG 4.16Å; Y89-K110 PolarHBondContact OH-NZ 2.93Å; Y89-D139 PolarHBondContact OH-OD2 2.93Å
90	D	69.5	Low	61.5	Low	96 Å²	96	103.1 Å²	103.1	51%	0.513	53%	0.528	S	S	.	.			trans	-72.7	103.1	-176.1	-168.5	3.8	0	0	0	109	K76 E88 P92	K76-D90 IonicContact NZ-OD2 3.67Å; K76-D90 PolarHBondContact NZ-OD2 2.74Å; E88-D90 PolarHBondContact O-N 3.08Å; D90-P92 VanDerWaalsContact C-CD 3.49Å; D90-P92 WeakPolarHBondContact O-CD 3.24Å
91	I	77.7	Confident	64.1	Low	9 Å²	9	97 Å²	97	5%	0.046	49%	0.489	C	S	.	.			trans	-99.9	99.2	173.7	-53.4	174.9	0	0	0	107.9	Y89 F94 L98 V106 A135 C138 D139	Y89-I91 HydrophobicContact CD1-CD1 3.64Å; Y89-I91 HydrophobicContact CD1-CG1 3.44Å; Y89-I91 VanDerWaalsContact CD1-CG1 3.44Å; Y89-I91 HydrophobicContact CE1-CD1 3.63Å; Y89-I91 HydrophobicContact CE1-CG1 3.49Å; Y89-I91 VanDerWaalsContact CE1-CG1 3.49Å; Y89-I91 PolarHBondContact O-N 3.37Å; I91-F94 HydrophobicContact CB-CB 4.05Å; I91-F94 HydrophobicContact CG2-CB 4.03Å; I91-F94 WeakPolarHBondContact O-CB 3.47Å; I91-F94 PolarHBondContact O-N 3.28Å; I91-F94 VanDerWaalsContact O-N 3.15Å; I91-L98 HydrophobicContact CD1-CD1 3.76Å; I91-V106 HydrophobicContact CD1-CG1 4.14Å; I91-A135 HydrophobicContact CD1-CB 3.75Å; I91-C138 HydrophobicContact CG2-CB 3.68Å; I91-D139 HydrophobicContact CG2-CB 4.17Å
92	P	71	Confident	66.9	Low	42 Å²	42	88 Å²	88	27%	0.273	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.3	141.4	168.1	-33.6	30.1	0	0	0	113.2	D90 F94 R142	D90-P92 VanDerWaalsContact C-CD 3.49Å; D90-P92 WeakPolarHBondContact O-CD 3.24Å; P92-F94 PolarHBondContact O-N 3.2Å; P92-F94 VanDerWaalsContact O-N 3.12Å; P92-R142 HydrophobicContact CB-CG 4.37Å; P92-R142 HydrophobicContact CG-CG 3.97Å
93	Y	80.5	Confident	69.9	Low	40 Å²	40	77.5 Å²	77.5	16%	0.157	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	-12.3	-179.1	-35.5	-63.7	0	0	0	116	I141 K171 V197	Y93-I141 HydrophobicContact CD2-CG2 4.43Å; Y93-I141 HydrophobicContact CE2-CG2 4.28Å; Y93-K171 HydrophobicContact CD1-CD 4.32Å; Y93-V197 HydrophobicContact CD1-CG1 3.82Å; Y93-V197 HydrophobicContact CD2-CG1 4.21Å; Y93-V197 HydrophobicContact CE1-CG1 4.08Å; Y93-V197 HydrophobicContact CE2-CG1 4.44Å; Y93-V197 HydrophobicContact CG-CG1 3.89Å; Y93-V197 PolarHBondContact OH-O 2.9Å
94	F	86.7	Confident	72.5	Confident	25 Å²	25	77.1 Å²	77.1	11%	0.11	40%	0.402	C	S	.	.			trans	-84.3	121.5	171.6	-172.9	-93.3	0	0	0	110.7	I91 P92 G96 L98 V131 I134 A135 C138 F168	I91-F94 HydrophobicContact CB-CB 4.05Å; I91-F94 HydrophobicContact CG2-CB 4.03Å; I91-F94 WeakPolarHBondContact O-CB 3.47Å; I91-F94 PolarHBondContact O-N 3.28Å; I91-F94 VanDerWaalsContact O-N 3.15Å; P92-F94 PolarHBondContact O-N 3.2Å; P92-F94 VanDerWaalsContact O-N 3.12Å; F94-G96 WeakPolarHBondContact CE1-O 3.29Å; F94-L98 HydrophobicContact CD1-CG 4.5Å; F94-L98 HydrophobicContact CE1-CD2 3.74Å; F94-L98 HydrophobicContact CE1-CG 3.81Å; F94-L98 HydrophobicContact CE2-CD2 4.37Å; F94-L98 HydrophobicContact CZ-CD2 3.53Å; F94-L98 HydrophobicContact CZ-CG 4.13Å; F94-V131 HydrophobicContact CE2-CG1 3.98Å; F94-V131 HydrophobicContact CZ-CG1 3.57Å; F94-I134 HydrophobicContact CD2-CG2 4.16Å; F94-I134 HydrophobicContact CE2-CG2 4.22Å; F94-A135 HydrophobicContact CD2-CB 3.97Å; F94-A135 HydrophobicContact CE2-CB 3.94Å; F94-C138 HydrophobicContact CB-CB 4.42Å; F94-F168 CarbonylContact C-O 3.57Å; F94-F168 VanDerWaalsContact CA-O 3.24Å; F94-F168 WeakPolarHBondContact CA-O 3.46Å; F94-F168 HydrophobicContact CD2-CB 4.16Å; F94-F168 HydrophobicContact CE1-CD1 4.09Å; F94-F168 HydrophobicContact CE2-CB 3.67Å; F94-F168 AromaticContact CE2-CD1 3.9Å; F94-F168 HydrophobicContact CE2-CD1 3.9Å; F94-F168 HydrophobicContact CE2-CG 4.01Å; F94-F168 HydrophobicContact CZ-CB 4.14Å; F94-F168 AromaticContact CZ-CD1 3.45Å; F94-F168 HydrophobicContact CZ-CD1 3.45Å; F94-F168 VanDerWaalsContact CZ-CD1 3.45Å; F94-F168 HydrophobicContact CZ-CE1 4.13Å; F94-F168 HydrophobicContact CZ-CG 4.04Å
95	T	84.9	Confident	75.3	Confident	69 Å²	69	69.1 Å²	69.1	42%	0.423	36%	0.359	S	S	.	.			trans	-103.2	96.1	177.9	48.2	0	0	0	0	110.2	R167 F168 P170	T95-R167 PolarHBondContact OG1-O 3.34Å; T95-F168 PolarHBondContact N-O 3.08Å; T95-F168 VanDerWaalsContact O-CD1 3.24Å; T95-F168 WeakPolarHBondContact O-CD1 3.33Å; T95-F168 WeakPolarHBondContact OG1-CA 3.1Å; T95-F168 PolarHBondContact OG1-O 2.88Å; T95-P170 HydrophobicContact CG2-CG 4.23Å; T95-P170 VanDerWaalsContact OG1-CD 3.25Å; T95-P170 WeakPolarHBondContact OG1-CD 3.5Å
96	G	82.9	Confident	78.1	Confident	46 Å²	46	60.8 Å²	60.8	47%	0.474	32%	0.32	S	S	.	.	S	Bend	trans	157.8	168.1	176.7	0	0	0	0	0	111.8	F94	F94-G96 WeakPolarHBondContact CE1-O 3.29Å
97	K	85.5	Confident	80.6	Confident	193 Å²	193	59.3 Å²	59.3	84%	0.839	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-99.4	122.2	172.3	-66.5	-168.7	176.3	-167.4	0	109.5
98	L	86.9	Confident	82.9	Confident	28 Å²	28	56.3 Å²	56.3	15%	0.147	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-79.7	145.4	170.9	-65.5	176.8	0	0	0	109.9	I91 F94 Q102 I103 V106 V131 A135	I91-L98 HydrophobicContact CD1-CD1 3.76Å; F94-L98 HydrophobicContact CD1-CG 4.5Å; F94-L98 HydrophobicContact CE1-CD2 3.74Å; F94-L98 HydrophobicContact CE1-CG 3.81Å; F94-L98 HydrophobicContact CE2-CD2 4.37Å; F94-L98 HydrophobicContact CZ-CD2 3.53Å; F94-L98 HydrophobicContact CZ-CG 4.13Å; L98-Q102 HydrophobicContact CB-CB 4.22Å; L98-Q102 HydrophobicContact CD2-CB 4.26Å; L98-I103 HydrophobicContact CB-CD1 4.39Å; L98-I103 HydrophobicContact CB-CG1 3.71Å; L98-I103 HydrophobicContact CD1-CG1 4.33Å; L98-V106 HydrophobicContact CD1-CG2 4.36Å; L98-V131 HydrophobicContact CD2-CG1 3.64Å; L98-A135 HydrophobicContact CD1-CB 3.83Å; L98-A135 HydrophobicContact CD2-CB 4.29Å
99	R	86.5	Confident	84.7	Confident	87 Å²	87	48.9 Å²	48.9	33%	0.328	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-77.2	159.3	170.7	-62.8	-178.7	176.4	-150.9	-10.9	110.4	Y101 Q102 I103 E333 I522	R99-Y101 HydrophobicContact CB-CD1 3.62Å; R99-Y101 HydrophobicContact CB-CE1 3.39Å; R99-Y101 VanDerWaalsContact CD-CE1 3.47Å; R99-Y101 HydrophobicContact CG-CE1 4.04Å; R99-Y101 PolarHBondContact O-N 3.27Å; R99-Q102 HydrophobicContact CB-CG 4.15Å; R99-Q102 WeakPolarHBondContact O-CA 3.47Å; R99-Q102 WeakPolarHBondContact O-CB 3.24Å; R99-Q102 PolarHBondContact O-N 2.95Å; R99-I103 PolarHBondContact O-N 2.84Å; R99-E333 IonicContact CZ-OE1 3.65Å; R99-E333 IonicContact CZ-OE2 2.83Å; R99-E333 IonicContact NH1-OE1 3.91Å; R99-E333 PolarHBondContact NH1-OE1 2.89Å; R99-E333 IonicContact NH1-OE2 2.9Å; R99-E333 PolarHBondContact NH1-OE2 3.05Å; R99-E333 IonicContact NH2-OE1 3.5Å; R99-I522 VanDerWaalsContact CZ-CG2 3.42Å
100	T	87.2	Confident	85.8	Confident	81 Å²	81	47.7 Å²	47.7	50%	0.497	24%	0.242	S	C	.	.	H	α-helix	trans	-52.4	-50.2	-176.3	-46.8	0	0	0	0	112.8	Q102 I103 E104	T100-Q102 VanDerWaalsContact C-N 3.29Å; T100-Q102 PolarHBondContact O-N 3.37Å; T100-I103 WeakPolarHBondContact O-CB 3.29Å; T100-I103 PolarHBondContact O-N 3.2Å; T100-I103 VanDerWaalsContact O-N 3.16Å; T100-E104 PolarHBondContact O-N 3.38Å
101	Y	88.8	Confident	86.6	Confident	15 Å²	15	43.7 Å²	43.7	6%	0.059	22%	0.222	C	C	.	.	H	α-helix	trans	-61.8	-37.3	175.6	75.2	-83.7	0	0	0	111.8	R99 I103 E104 G105 L127 R327 V332 I522	R99-Y101 HydrophobicContact CB-CD1 3.62Å; R99-Y101 HydrophobicContact CB-CE1 3.39Å; R99-Y101 VanDerWaalsContact CD-CE1 3.47Å; R99-Y101 HydrophobicContact CG-CE1 4.04Å; R99-Y101 PolarHBondContact O-N 3.27Å; Y101-I103 VanDerWaalsContact C-N 3.28Å; Y101-I103 PolarHBondContact O-N 3Å; Y101-E104 WeakPolarHBondContact O-CB 3.42Å; Y101-E104 PolarHBondContact O-N 3.15Å; Y101-G105 PolarHBondContact O-N 3.12Å; Y101-L127 HydrophobicContact CE2-CB 3.94Å; Y101-L127 HydrophobicContact CE2-CD2 4.21Å; Y101-L127 VanDerWaalsContact CE2-O 3.27Å; Y101-L127 WeakPolarHBondContact CE2-O 3.36Å; Y101-L127 PolarHBondContact OH-O 3.1Å; Y101-R327 PolarHBondContact O-NH1 3.38Å; Y101-V332 HydrophobicContact CD1-CB 4.37Å; Y101-V332 HydrophobicContact CD1-CG1 2.97Å; Y101-V332 HydrophobicContact CD2-CG1 3.89Å; Y101-V332 HydrophobicContact CD2-CG2 4.38Å; Y101-V332 HydrophobicContact CE1-CG1 3.17Å; Y101-V332 HydrophobicContact CE2-CG1 4.11Å; Y101-V332 HydrophobicContact CG-CB 4.41Å; Y101-V332 HydrophobicContact CG-CG1 3.32Å; Y101-V332 HydrophobicContact CG-CG2 4.17Å; Y101-I522 WeakPolarHBondContact OH-CD1 3.06Å
102	Q	90.7	Very high	87	Confident	14 Å²	14	43.5 Å²	43.5	7%	0.065	22%	0.221	C	C	.	.	H	α-helix	trans	-64.5	-38	178.7	-62.7	176.7	-29.4	0	0	110.9	L98 R99 T100 G105 V106 L127 Q132	L98-Q102 HydrophobicContact CB-CB 4.22Å; L98-Q102 HydrophobicContact CD2-CB 4.26Å; R99-Q102 HydrophobicContact CB-CG 4.15Å; R99-Q102 WeakPolarHBondContact O-CA 3.47Å; R99-Q102 WeakPolarHBondContact O-CB 3.24Å; R99-Q102 PolarHBondContact O-N 2.95Å; T100-Q102 VanDerWaalsContact C-N 3.29Å; T100-Q102 PolarHBondContact O-N 3.37Å; Q102-G105 PolarHBondContact O-N 3.04Å; Q102-V106 WeakPolarHBondContact O-CG2 3.3Å; Q102-V106 PolarHBondContact O-N 3.17Å; Q102-L127 PolarHBondContact NE2-O 3.31Å; Q102-Q132 HydrophobicContact CB-CG 3.89Å; Q102-Q132 HydrophobicContact CG-CG 4.04Å
103	I	89.6	Confident	87.8	Confident	26 Å²	26	42 Å²	42	13%	0.133	21%	0.21	C	C	.	.	H	α-helix	trans	-61.6	-47.6	173.6	-62.7	169.1	0	0	0	110.2	Y89 L98 R99 T100 Y101 G105 V106 K107	Y89-I103 HydrophobicContact CD1-CG2 4.33Å; Y89-I103 HydrophobicContact CG-CG2 3.98Å; L98-I103 HydrophobicContact CB-CD1 4.39Å; L98-I103 HydrophobicContact CB-CG1 3.71Å; L98-I103 HydrophobicContact CD1-CG1 4.33Å; R99-I103 PolarHBondContact O-N 2.84Å; T100-I103 WeakPolarHBondContact O-CB 3.29Å; T100-I103 PolarHBondContact O-N 3.2Å; T100-I103 VanDerWaalsContact O-N 3.16Å; Y101-I103 VanDerWaalsContact C-N 3.28Å; Y101-I103 PolarHBondContact O-N 3Å; I103-G105 VanDerWaalsContact C-N 3.26Å; I103-G105 PolarHBondContact O-N 3.43Å; I103-V106 PolarHBondContact O-N 3.38Å; I103-K107 HydrophobicContact CG2-CD 4.33Å; I103-K107 HydrophobicContact CG2-CG 4.47Å; I103-K107 WeakPolarHBondContact O-CG 3.32Å; I103-K107 PolarHBondContact O-N 3.44Å
104	E	88.8	Confident	88.1	Confident	114 Å²	114	42.8 Å²	42.8	53%	0.533	22%	0.217	S	C	.	.	H	α-helix	trans	-58.3	-39.5	175.3	-67.9	171.6	174.9	0	0	112.2	T100 Y101 K107 W108	T100-E104 PolarHBondContact O-N 3.38Å; Y101-E104 WeakPolarHBondContact O-CB 3.42Å; Y101-E104 PolarHBondContact O-N 3.15Å; E104-K107 PolarHBondContact O-N 2.9Å; E104-W108 WeakPolarHBondContact O-CB 3.31Å; E104-W108 PolarHBondContact O-N 3.42Å
105	G	91.2	Very high	87.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.8	-42.1	176.7	0	0	0	0	0	112.7	Y101 Q102 I103 W108 L109	Y101-G105 PolarHBondContact O-N 3.12Å; Q102-G105 PolarHBondContact O-N 3.04Å; I103-G105 VanDerWaalsContact C-N 3.26Å; I103-G105 PolarHBondContact O-N 3.43Å; G105-W108 WeakPolarHBondContact O-CB 3.33Å; G105-W108 PolarHBondContact O-N 3.03Å; G105-L109 WeakPolarHBondContact O-CG 3.27Å; G105-L109 PolarHBondContact O-N 2.93Å
106	V	91.4	Very high	87.9	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66	-42.8	175.4	175	0	0	0	0	111	Y89 I91 L98 Q102 I103 W108 L109 K110 Q132 A135	Y89-V106 HydrophobicContact CE1-CG1 4Å; I91-V106 HydrophobicContact CD1-CG1 4.14Å; L98-V106 HydrophobicContact CD1-CG2 4.36Å; Q102-V106 WeakPolarHBondContact O-CG2 3.3Å; Q102-V106 PolarHBondContact O-N 3.17Å; I103-V106 PolarHBondContact O-N 3.38Å; V106-W108 VanDerWaalsContact C-N 3.31Å; V106-W108 PolarHBondContact O-N 3.09Å; V106-L109 PolarHBondContact O-N 3.05Å; V106-K110 WeakPolarHBondContact O-CB 3.47Å; V106-K110 PolarHBondContact O-N 2.96Å; V106-Q132 HydrophobicContact CG2-CB 4.28Å; V106-A135 HydrophobicContact CG2-CB 3.73Å
107	K	89.8	Confident	88.1	Confident	64 Å²	64	42 Å²	42	28%	0.278	21%	0.209	S	C	.	.	H	α-helix	trans	-62.3	-39.3	175	-70.4	-173.5	-175.8	-157	0	111.9	D69 Y89 I103 E104 K110 S111	D69-K107 WeakPolarHBondContact OD2-CE 3.34Å; D69-K107 IonicContact OD2-NZ 3.01Å; D69-K107 PolarHBondContact OD2-NZ 2.79Å; Y89-K107 VanDerWaalsContact CD2-CE 3.43Å; Y89-K107 HydrophobicContact CE2-CG 4.16Å; I103-K107 HydrophobicContact CG2-CD 4.33Å; I103-K107 HydrophobicContact CG2-CG 4.47Å; I103-K107 WeakPolarHBondContact O-CG 3.32Å; I103-K107 PolarHBondContact O-N 3.44Å; E104-K107 PolarHBondContact O-N 2.9Å; K107-K110 WeakPolarHBondContact O-CB 3.44Å; K107-K110 PolarHBondContact O-N 3.14Å; K107-S111 PolarHBondContact O-N 2.77Å
108	W	90.4	Very high	88.3	Confident	42 Å²	42	34.2 Å²	34.2	16%	0.159	18%	0.176	C	C	.	.	H	α-helix	trans	-61.4	-47.7	174.2	179.3	89.9	0	0	0	111.3	E104 G105 V106 K110 S111 H112 P322 F323 L325	E104-W108 WeakPolarHBondContact O-CB 3.31Å; E104-W108 PolarHBondContact O-N 3.42Å; G105-W108 WeakPolarHBondContact O-CB 3.33Å; G105-W108 PolarHBondContact O-N 3.03Å; V106-W108 VanDerWaalsContact C-N 3.31Å; V106-W108 PolarHBondContact O-N 3.09Å; W108-K110 VanDerWaalsContact C-N 3.31Å; W108-K110 PolarHBondContact O-N 3.07Å; W108-S111 PolarHBondContact O-N 3.3Å; W108-S111 PolarHBondContact O-OG 2.86Å; W108-H112 AromaticContact CD2-CE1 3.88Å; W108-H112 AromaticContact CD2-ND1 3.83Å; W108-H112 AromaticContact CE2-CE1 3.18Å; W108-H112 AromaticContact CE2-ND1 3.63Å; W108-H112 AromaticContact CE2-NE2 3.83Å; W108-H112 AromaticContact CZ2-CE1 3.32Å; W108-H112 WeakPolarHBondContact CZ2-CE1 3.33Å; W108-H112 AromaticContact CZ2-ND1 3.95Å; W108-H112 AromaticContact CZ2-NE2 3.46Å; W108-H112 WeakPolarHBondContact CZ2-NE2 3.42Å; W108-H112 AromaticContact NE1-CE1 3.29Å; W108-H112 PolarHBondContact NE1-CE1 3Å; W108-H112 VanDerWaalsContact NE1-CE1 3.29Å; W108-H112 AromaticContact NE1-ND1 3.88Å; W108-H112 PolarHBondContact O-N 3.2Å; W108-H112 VanDerWaalsContact O-N 3.1Å; W108-H112 PolarHBondContact O-ND1 3.3Å; W108-P322 VanDerWaalsContact CZ2-O 3.26Å; W108-P322 WeakPolarHBondContact CZ2-O 3.4Å; W108-P322 PolarHBondContact NE1-O 3.19Å; W108-F323 WeakPolarHBondContact CH2-O 3.48Å; W108-L325 HydrophobicContact CB-CD2 4.12Å; W108-L325 HydrophobicContact CD2-CB 3.88Å; W108-L325 HydrophobicContact CD2-CD2 3.98Å; W108-L325 HydrophobicContact CD2-CG 4.46Å; W108-L325 HydrophobicContact CE3-CB 3.95Å; W108-L325 HydrophobicContact CE3-CD2 4.02Å; W108-L325 HydrophobicContact CG-CD2 4.04Å; W108-L325 HydrophobicContact CH2-CB 4.01Å; W108-L325 HydrophobicContact CZ2-CB 3.92Å; W108-L325 HydrophobicContact CZ3-CB 4.01Å
109	L	91.7	Very high	88.3	Confident	5 Å²	5	33 Å²	33	3%	0.026	17%	0.171	C	C	.	.	H	α-helix	trans	-59.7	-40.2	175.2	-70.9	171.8	0	0	0	112.3	G105 V106 H112 D113 F136 L256	G105-L109 WeakPolarHBondContact O-CG 3.27Å; G105-L109 PolarHBondContact O-N 2.93Å; V106-L109 PolarHBondContact O-N 3.05Å; L109-H112 WeakPolarHBondContact O-CB 3.47Å; L109-H112 PolarHBondContact O-N 3.47Å; L109-D113 PolarHBondContact O-N 3.06Å; L109-F136 HydrophobicContact CB-CB 4.5Å; L109-F136 HydrophobicContact CB-CD2 3.57Å; L109-F136 HydrophobicContact CB-CE2 3.82Å; L109-F136 HydrophobicContact CB-CG 3.95Å; L109-F136 HydrophobicContact CB-CZ 4.38Å; L109-F136 HydrophobicContact CD1-CB 3.89Å; L109-F136 HydrophobicContact CD1-CD1 4.38Å; L109-F136 HydrophobicContact CD1-CD2 4.45Å; L109-F136 HydrophobicContact CD1-CG 4Å; L109-L256 HydrophobicContact CD1-CD2 4.39Å; L109-L256 HydrophobicContact CD2-CD1 3.45Å; L109-L256 VanDerWaalsContact CD2-CD1 3.45Å; L109-L256 HydrophobicContact CD2-CD2 4Å; L109-L256 HydrophobicContact CD2-CG 4.37Å
110	K	89.1	Confident	88.5	Confident	5 Å²	5	29.1 Å²	29.1	2%	0.022	16%	0.156	C	C	.	.	H	α-helix	trans	-63.9	-44.4	175.5	-174.2	-179.1	-166.4	144	0	112.6	I65 Y89 V106 K107 W108 H112 D113 L114 D139 E143	I65-K110 HydrophobicContact CD1-CD 4.38Å; I65-K110 HydrophobicContact CD1-CG 4.33Å; I65-K110 HydrophobicContact CG1-CD 4.37Å; Y89-K110 PolarHBondContact OH-NZ 2.93Å; V106-K110 WeakPolarHBondContact O-CB 3.47Å; V106-K110 PolarHBondContact O-N 2.96Å; K107-K110 WeakPolarHBondContact O-CB 3.44Å; K107-K110 PolarHBondContact O-N 3.14Å; W108-K110 VanDerWaalsContact C-N 3.31Å; W108-K110 PolarHBondContact O-N 3.07Å; K110-H112 PolarHBondContact O-N 2.81Å; K110-D113 WeakPolarHBondContact O-CB 3.45Å; K110-D113 PolarHBondContact O-N 3.37Å; K110-D113 VanDerWaalsContact O-N 3.16Å; K110-L114 HydrophobicContact CG-CD1 4.41Å; K110-L114 WeakPolarHBondContact O-CG 3.38Å; K110-L114 PolarHBondContact O-N 3.44Å; K110-D139 WeakPolarHBondContact CD-OD2 3.43Å; K110-D139 IonicContact NZ-OD1 2.88Å; K110-D139 PolarHBondContact NZ-OD1 3.28Å; K110-D139 IonicContact NZ-OD2 3.95Å; K110-D139 PolarHBondContact NZ-OD2 3.28Å; K110-E143 WeakPolarHBondContact CE-OE1 3.19Å; K110-E143 IonicContact NZ-OE1 2.9Å; K110-E143 PolarHBondContact NZ-OE1 3.48Å
111	S	86.6	Confident	88.7	Confident	13 Å²	13	25.2 Å²	25.2	9%	0.091	13%	0.132	C	C	.	.	H	α-helix	trans	-60.7	-34.4	177.6	72.1	0	0	0	0	112.3	N61 K107 W108 A115	N61-S111 PolarHBondContact ND2-O 3.15Å; K107-S111 PolarHBondContact O-N 2.77Å; W108-S111 PolarHBondContact O-N 3.3Å; W108-S111 PolarHBondContact O-OG 2.86Å; S111-A115 WeakPolarHBondContact O-CB 3.46Å; S111-A115 PolarHBondContact O-N 3.15Å; S111-A115 VanDerWaalsContact O-N 3.12Å
112	H	87.3	Confident	88.6	Confident	4 Å²	4	24.5 Å²	24.5	2%	0.019	13%	0.13	C	C	.	.	H	α-helix	trans	-66.9	-46.1	173.4	-83.1	61.8	0	0	0	112.1	W108 L109 K110 L114 A115 S116 L117 P322	W108-H112 AromaticContact CD2-CE1 3.88Å; W108-H112 AromaticContact CD2-ND1 3.83Å; W108-H112 AromaticContact CE2-CE1 3.18Å; W108-H112 AromaticContact CE2-ND1 3.63Å; W108-H112 AromaticContact CE2-NE2 3.83Å; W108-H112 AromaticContact CZ2-CE1 3.32Å; W108-H112 WeakPolarHBondContact CZ2-CE1 3.33Å; W108-H112 AromaticContact CZ2-ND1 3.95Å; W108-H112 AromaticContact CZ2-NE2 3.46Å; W108-H112 WeakPolarHBondContact CZ2-NE2 3.42Å; W108-H112 AromaticContact NE1-CE1 3.29Å; W108-H112 PolarHBondContact NE1-CE1 3Å; W108-H112 VanDerWaalsContact NE1-CE1 3.29Å; W108-H112 AromaticContact NE1-ND1 3.88Å; W108-H112 PolarHBondContact O-N 3.2Å; W108-H112 VanDerWaalsContact O-N 3.1Å; W108-H112 PolarHBondContact O-ND1 3.3Å; L109-H112 WeakPolarHBondContact O-CB 3.47Å; L109-H112 PolarHBondContact O-N 3.47Å; K110-H112 PolarHBondContact O-N 2.81Å; H112-L114 PolarHBondContact O-N 2.86Å; H112-A115 CarbonylContact O-C 3.58Å; H112-A115 PolarHBondContact O-N 3.25Å; H112-A115 VanDerWaalsContact O-N 3.1Å; H112-S116 PolarHBondContact O-N 3.34Å; H112-S116 VanDerWaalsContact O-N 3.08Å; H112-L117 PolarHBondContact O-N 3.32Å; H112-P322 PolarHBondContact CE1-O 2.93Å; H112-P322 PolarHBondContact NE2-O 2.64Å
113	D	87.5	Confident	88.4	Confident	11 Å²	11	23.9 Å²	23.9	6%	0.059	13%	0.126	C	C	.	.	H	α-helix	trans	-57.6	-49	177.1	-171	58.2	0	0	0	112.1	L109 K110 A115 S116 F136 L140 R226 Y227	L109-D113 PolarHBondContact O-N 3.06Å; K110-D113 WeakPolarHBondContact O-CB 3.45Å; K110-D113 PolarHBondContact O-N 3.37Å; K110-D113 VanDerWaalsContact O-N 3.16Å; D113-A115 PolarHBondContact O-N 3.44Å; D113-S116 PolarHBondContact O-N 2.96Å; D113-F136 HydrophobicContact CB-CE2 4.33Å; D113-F136 HydrophobicContact CB-CZ 4.26Å; D113-L140 HydrophobicContact CB-CD2 4.45Å; D113-L140 WeakPolarHBondContact OD2-CD2 3.37Å; D113-R226 IonicContact OD1-CZ 3.97Å; D113-R226 IonicContact OD1-NH1 3.99Å; D113-R226 PolarHBondContact OD1-NH1 2.76Å; D113-R226 IonicContact OD1-NH2 3.11Å; D113-R226 PolarHBondContact OD1-NH2 3.09Å; D113-R226 IonicContact OD2-CZ 3.18Å; D113-R226 IonicContact OD2-NH2 2.85Å; D113-R226 PolarHBondContact OD2-NH2 3.42Å; D113-Y227 WeakPolarHBondContact CA-OH 3.48Å; D113-Y227 WeakPolarHBondContact CB-OH 3.45Å; D113-Y227 WeakPolarHBondContact OD1-CE2 3.49Å; D113-Y227 PolarHBondContact OD1-OH 2.85Å
114	L	85.9	Confident	88	Confident	56 Å²	56	23.9 Å²	23.9	29%	0.293	13%	0.127	S	C	.	.	H	α-helix	trans	-61.2	-32.2	177.3	-67.6	174.2	0	0	0	112.2	N61 I65 K110 H112 S116	N61-L114 HydrophobicContact CB-CB 4.34Å; N61-L114 WeakPolarHBondContact ND2-CB 3.45Å; I65-L114 HydrophobicContact CD1-CD1 4.11Å; I65-L114 HydrophobicContact CG1-CD1 3.88Å; K110-L114 HydrophobicContact CG-CD1 4.41Å; K110-L114 WeakPolarHBondContact O-CG 3.38Å; K110-L114 PolarHBondContact O-N 3.44Å; H112-L114 PolarHBondContact O-N 2.86Å; L114-S116 PolarHBondContact O-N 2.98Å
115	A	84.2	Confident	87.5	Confident	2 Å²	2	18.7 Å²	18.7	2%	0.017	10%	0.103	C	C	.	.	H	α-helix	trans	-80.2	-7.5	177.2	0	0	0	0	0	112.9	K57 L58 N61 S111 H112 D113 L117	K57-A115 HydrophobicContact CB-CB 4.36Å; L58-A115 HydrophobicContact CD2-CB 4.27Å; N61-A115 VanDerWaalsContact ND2-CA 3.34Å; N61-A115 WeakPolarHBondContact ND2-CA 3.34Å; N61-A115 WeakPolarHBondContact ND2-CB 3.41Å; N61-A115 PolarHBondContact ND2-N 3.38Å; S111-A115 WeakPolarHBondContact O-CB 3.46Å; S111-A115 PolarHBondContact O-N 3.15Å; S111-A115 VanDerWaalsContact O-N 3.12Å; H112-A115 CarbonylContact O-C 3.58Å; H112-A115 PolarHBondContact O-N 3.25Å; H112-A115 VanDerWaalsContact O-N 3.1Å; D113-A115 PolarHBondContact O-N 3.44Å; A115-L117 HydrophobicContact CB-CB 4.29Å; A115-L117 HydrophobicContact CB-CD1 3.65Å; A115-L117 HydrophobicContact CB-CG 3.67Å
116	S	85.1	Confident	86.9	Confident	100 Å²	100	19.3 Å²	19.3	70%	0.699	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	39.1	-167.5	-53.5	0	0	0	0	112.3	H112 D113 L114	H112-S116 PolarHBondContact O-N 3.34Å; H112-S116 VanDerWaalsContact O-N 3.08Å; D113-S116 PolarHBondContact O-N 2.96Å; L114-S116 PolarHBondContact O-N 2.98Å
117	L	85.5	Confident	86.5	Confident	22 Å²	22	19.3 Å²	19.3	12%	0.115	11%	0.109	C	C	.	.			trans	-106.6	145.7	178.1	-63.1	176.3	0	0	0	110.5	V54 L58 H112 A115 F323	V54-L117 HydrophobicContact CB-CD1 4.36Å; V54-L117 HydrophobicContact CG1-CD1 3.62Å; V54-L117 HydrophobicContact CG2-CD1 4.24Å; V54-L117 HydrophobicContact CG2-CD2 4.29Å; L58-L117 HydrophobicContact CD2-CD1 4.29Å; L58-L117 HydrophobicContact CG-CD1 4.33Å; H112-L117 PolarHBondContact O-N 3.32Å; A115-L117 HydrophobicContact CB-CB 4.29Å; A115-L117 HydrophobicContact CB-CD1 3.65Å; A115-L117 HydrophobicContact CB-CG 3.67Å; L117-F323 HydrophobicContact CD1-CE1 4.44Å; L117-F323 HydrophobicContact CD2-CE1 4.34Å
118	N	89.6	Confident	86.3	Confident	30 Å²	30	16.5 Å²	16.5	16%	0.16	10%	0.098	C	C	.	.			trans	-90	153.3	172.8	-62.1	-37.2	0	0	0	109.4	G254 R255 V277	N118-G254 WeakPolarHBondContact OD1-CA 3.34Å; N118-R255 WeakPolarHBondContact CA-O 3.5Å; N118-R255 HydrophobicContact CB-CB 4.17Å; N118-R255 WeakPolarHBondContact CB-O 3.5Å; N118-R255 PolarHBondContact OD1-N 2.73Å; N118-V277 HydrophobicContact CB-CB 4.35Å; N118-V277 HydrophobicContact CB-CG1 3.43Å; N118-V277 VanDerWaalsContact CB-CG1 3.43Å; N118-V277 WeakPolarHBondContact CB-O 3.48Å; N118-V277 PolarHBondContact ND2-O 3.22Å
119	G	87.9	Confident	86.3	Confident	3 Å²	3	15.6 Å²	15.6	3%	0.031	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	158.6	-175	0	0	0	0	0	113.7	R255 L257	G119-R255 PolarHBondContact N-O 3.07Å; G119-L257 PolarHBondContact O-N 3.28Å
120	I	89.8	Confident	86.3	Confident	4 Å²	4	16 Å²	16	2%	0.021	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	112.9	170.9	-49.4	-176.7	0	0	0	108.4	A122 L257 T259 L274 V277 F323 I324 L325	I120-A122 HydrophobicContact CG2-CB 4.19Å; I120-A122 PolarHBondContact O-N 2.91Å; I120-L257 CarbonylContact C-O 3.5Å; I120-L257 WeakPolarHBondContact CA-O 3.18Å; I120-L257 HydrophobicContact CB-CB 4.42Å; I120-L257 HydrophobicContact CD1-CD1 4.28Å; I120-L257 HydrophobicContact CG1-CB 4.2Å; I120-L257 HydrophobicContact CG1-CD1 4.26Å; I120-L257 HydrophobicContact CG2-CB 4.09Å; I120-T259 HydrophobicContact CG2-CG2 3.94Å; I120-L274 HydrophobicContact CD1-CD2 4.38Å; I120-V277 HydrophobicContact CD1-CG2 3.96Å; I120-V277 HydrophobicContact CG1-CG2 3.72Å; I120-F323 PolarHBondContact N-O 2.8Å; I120-I324 HydrophobicContact CB-CG1 4.2Å; I120-I324 HydrophobicContact CD1-CD1 4.27Å; I120-I324 HydrophobicContact CD1-CG1 4.12Å; I120-I324 HydrophobicContact CG1-CG1 4.42Å; I120-I324 WeakPolarHBondContact O-CA 3.42Å; I120-L325 PolarHBondContact O-N 2.65Å
121	L	91.4	Very high	86.5	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	96.2	168.9	-172.1	63.7	0	0	0	108.4	K129 Q132 L256 L257 L258 T259 L325	L121-K129 HydrophobicContact CD2-CB 4.07Å; L121-K129 HydrophobicContact CD2-CG 3.98Å; L121-K129 HydrophobicContact CG-CD 4.29Å; L121-K129 HydrophobicContact CG-CG 4.14Å; L121-K129 WeakPolarHBondContact O-CD 3.47Å; L121-Q132 HydrophobicContact CD2-CB 4.22Å; L121-L256 HydrophobicContact CB-CD1 4.38Å; L121-L257 PolarHBondContact N-O 3.09Å; L121-L258 HydrophobicContact CB-CD2 3.74Å; L121-L258 HydrophobicContact CD2-CD2 3.89Å; L121-L258 HydrophobicContact CG-CD2 4.35Å; L121-T259 PolarHBondContact O-N 3.32Å; L121-L325 HydrophobicContact CD1-CB 4.15Å; L121-L325 HydrophobicContact CD1-CD2 3.8Å; L121-L325 HydrophobicContact CD1-CG 4.19Å
122	A	86.9	Confident	86.8	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.097	C	C	.	.			trans	-103	22.3	-175.4	0	0	0	0	0	113.1	I120 T259 P262 I324 L325 R326	I120-A122 HydrophobicContact CG2-CB 4.19Å; I120-A122 PolarHBondContact O-N 2.91Å; A122-T259 CarbonylContact C-O 3.49Å; A122-T259 WeakPolarHBondContact CA-O 2.97Å; A122-T259 HydrophobicContact CB-CG2 3.96Å; A122-P262 HydrophobicContact CB-CB 4.04Å; A122-P262 HydrophobicContact CB-CG 3.95Å; A122-I324 HydrophobicContact CB-CG2 3.75Å; A122-L325 CarbonylContact C-O 3.55Å; A122-L325 WeakPolarHBondContact CA-O 3.21Å; A122-L325 PolarHBondContact N-O 2.83Å; A122-R326 HydrophobicContact CB-CB 4.23Å; A122-R326 WeakPolarHBondContact O-CG 3.32Å
123	D	87.6	Confident	87.1	Confident	0 Å²	0	15.7 Å²	15.7	0%	0	10%	0.096	C	C	.	.	P	Polyproline II helix	trans	-50.5	144.5	173.3	-82.4	-13.4	0	0	0	112	L127 K129 Q132 L325 R327	D123-L127 HydrophobicContact CB-CB 4.24Å; D123-L127 HydrophobicContact CB-CD1 4.09Å; D123-K129 HydrophobicContact CB-CD 4.15Å; D123-K129 HydrophobicContact CB-CG 3.85Å; D123-K129 PolarHBondContact O-NZ 2.96Å; D123-Q132 PolarHBondContact OD2-NE2 2.69Å; D123-L325 PolarHBondContact N-O 2.74Å; D123-R327 WeakPolarHBondContact OD1-CB 3.37Å; D123-R327 IonicContact OD1-CZ 3.9Å; D123-R327 PolarHBondContact OD1-N 3.41Å; D123-R327 IonicContact OD1-NE 2.83Å; D123-R327 PolarHBondContact OD1-NE 2.98Å; D123-R327 IonicContact OD1-NH2 2.84Å; D123-R327 PolarHBondContact OD1-NH2 3.1Å; D123-R327 IonicContact OD2-CZ 2.8Å; D123-R327 IonicContact OD2-NE 3.9Å; D123-R327 PolarHBondContact OD2-NE 2.89Å; D123-R327 IonicContact OD2-NH2 3.84Å; D123-R327 PolarHBondContact OD2-NH2 3.43Å
124	D	79.8	Confident	87.5	Confident	27 Å²	27	15.1 Å²	15.1	14%	0.144	9%	0.093	C	C	.	.	P	Polyproline II helix	trans	-54	151.6	175.5	-167.9	12.6	0	0	0	112	G126 L127 R327 K329	D124-G126 PolarHBondContact O-N 2.92Å; D124-L127 HydrophobicContact CB-CD1 3.96Å; D124-L127 HydrophobicContact CB-CG 4.39Å; D124-L127 PolarHBondContact O-N 2.9Å; D124-R327 VanDerWaalsContact CB-O 3.31Å; D124-R327 WeakPolarHBondContact CB-O 3.39Å; D124-R327 PolarHBondContact N-O 2.98Å; D124-K329 WeakPolarHBondContact OD2-CG 3.38Å
125	M	79.2	Confident	87.8	Confident	5 Å²	5	12.5 Å²	12.5	3%	0.025	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	121.8	-174.8	-68.2	-174.4	63	0	0	111.2	K329 Q514 D517 R518	M125-K329 WeakPolarHBondContact O-CE 3.33Å; M125-K329 PolarHBondContact O-NZ 3.16Å; M125-Q514 HydrophobicContact CE-CB 4.35Å; M125-Q514 HydrophobicContact CE-CG 3.42Å; M125-Q514 VanDerWaalsContact CE-CG 3.42Å; M125-Q514 WeakPolarHBondContact CE-O 3.2Å; M125-Q514 HydrophobicContact SD-CB 4.26Å; M125-Q514 HydrophobicContact SD-CG 3.7Å; M125-D517 HydrophobicContact CB-CB 4.01Å; M125-D517 HydrophobicContact SD-CB 4.34Å; M125-R518 VanDerWaalsContact CE-NE 3.29Å; M125-R518 VanDerWaalsContact CE-NH2 3.32Å
126	G	77.4	Confident	88.3	Confident	12 Å²	12	12.4 Å²	12.4	12%	0.124	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.7	-7	177.6	0	0	0	0	0	115.4	D124 G128 I522	D124-G126 PolarHBondContact O-N 2.92Å; G126-G128 PolarHBondContact O-N 2.65Å; G126-G128 VanDerWaalsContact O-N 3.13Å; G126-I522 WeakPolarHBondContact O-CD1 3.49Å
127	L	83.5	Confident	88.7	Confident	1 Å²	1	7.7 Å²	7.7	1%	0.005	5%	0.046	C	C	.	.	S	Bend	trans	-71.7	6.3	171.6	-68.8	-177.3	0	0	0	114.5	Y101 Q102 D123 D124 R327 K329 V332 I522	Y101-L127 HydrophobicContact CE2-CB 3.94Å; Y101-L127 HydrophobicContact CE2-CD2 4.21Å; Y101-L127 VanDerWaalsContact CE2-O 3.27Å; Y101-L127 WeakPolarHBondContact CE2-O 3.36Å; Y101-L127 PolarHBondContact OH-O 3.1Å; Q102-L127 PolarHBondContact NE2-O 3.31Å; D123-L127 HydrophobicContact CB-CB 4.24Å; D123-L127 HydrophobicContact CB-CD1 4.09Å; D124-L127 HydrophobicContact CB-CD1 3.96Å; D124-L127 HydrophobicContact CB-CG 4.39Å; D124-L127 PolarHBondContact O-N 2.9Å; L127-R327 HydrophobicContact CD1-CB 4.11Å; L127-R327 VanDerWaalsContact CD1-O 3.24Å; L127-R327 WeakPolarHBondContact CD1-O 3.22Å; L127-K329 HydrophobicContact CD2-CG 4.09Å; L127-K329 HydrophobicContact CG-CG 4.38Å; L127-V332 HydrophobicContact CD2-CB 4.35Å; L127-V332 HydrophobicContact CD2-CG1 4.34Å; L127-I522 HydrophobicContact CD2-CD1 4.5Å
128	G	86.4	Confident	89	Confident	5 Å²	5	6.7 Å²	6.7	5%	0.052	4%	0.04	C	C	.	.			trans	77.8	39.5	174.2	0	0	0	0	0	114.8	G126 T130 V131 Q132	G126-G128 PolarHBondContact O-N 2.65Å; G126-G128 VanDerWaalsContact O-N 3.13Å; G128-T130 PolarHBondContact O-N 3.3Å; G128-V131 WeakPolarHBondContact O-CB 3.39Å; G128-V131 PolarHBondContact O-N 3.16Å; G128-Q132 PolarHBondContact O-N 3.35Å
129	K	90.7	Very high	89	Confident	22 Å²	22	5.5 Å²	5.5	10%	0.096	3%	0.034	C	C	.	.	H	α-helix	trans	-49.6	-42.2	172.5	-69.4	-170.4	-73.9	-80.1	0	113.3	L121 D123 V131 Q132 C133 T259	L121-K129 HydrophobicContact CD2-CB 4.07Å; L121-K129 HydrophobicContact CD2-CG 3.98Å; L121-K129 HydrophobicContact CG-CD 4.29Å; L121-K129 HydrophobicContact CG-CG 4.14Å; L121-K129 WeakPolarHBondContact O-CD 3.47Å; D123-K129 HydrophobicContact CB-CD 4.15Å; D123-K129 HydrophobicContact CB-CG 3.85Å; D123-K129 PolarHBondContact O-NZ 2.96Å; K129-V131 VanDerWaalsContact C-N 3.34Å; K129-V131 PolarHBondContact O-N 3.29Å; K129-Q132 PolarHBondContact O-N 2.79Å; K129-C133 WeakPolarHBondContact O-CB 3.4Å; K129-C133 PolarHBondContact O-N 2.89Å; K129-T259 WeakPolarHBondContact CD-O 3.42Å; K129-T259 VanDerWaalsContact CE-O 3.31Å; K129-T259 WeakPolarHBondContact CE-O 3.34Å; K129-T259 PolarHBondContact NZ-O 3.17Å
130	T	91.9	Very high	89.1	Confident	15 Å²	15	5.5 Å²	5.5	9%	0.092	3%	0.033	C	C	.	.	H	α-helix	trans	-57.5	-46.4	175	-51.5	0	0	0	0	111.6	G128 C133 I134 W161 E164	G128-T130 PolarHBondContact O-N 3.3Å; T130-C133 WeakPolarHBondContact O-CB 3.21Å; T130-C133 PolarHBondContact O-N 3.19Å; T130-I134 HydrophobicContact CG2-CD1 4.08Å; T130-I134 WeakPolarHBondContact O-CG1 3.37Å; T130-I134 PolarHBondContact O-N 2.92Å; T130-W161 HydrophobicContact CG2-CD2 3.89Å; T130-W161 HydrophobicContact CG2-CE3 3.62Å; T130-W161 HydrophobicContact CG2-CH2 3.86Å; T130-W161 HydrophobicContact CG2-CZ2 4.09Å; T130-W161 HydrophobicContact CG2-CZ3 3.61Å; T130-E164 HydrophobicContact CG2-CB 4.21Å; T130-E164 HydrophobicContact CG2-CG 4.27Å
131	V	92	Very high	89.1	Confident	14 Å²	14	5.3 Å²	5.3	9%	0.085	3%	0.032	C	C	.	.	H	α-helix	trans	-65.8	-43.2	-179.7	-175.7	0	0	0	0	110.8	F94 L98 G128 K129 C133 I134 A135 F168	F94-V131 HydrophobicContact CE2-CG1 3.98Å; F94-V131 HydrophobicContact CZ-CG1 3.57Å; L98-V131 HydrophobicContact CD2-CG1 3.64Å; G128-V131 WeakPolarHBondContact O-CB 3.39Å; G128-V131 PolarHBondContact O-N 3.16Å; K129-V131 VanDerWaalsContact C-N 3.34Å; K129-V131 PolarHBondContact O-N 3.29Å; V131-C133 VanDerWaalsContact C-N 3.31Å; V131-C133 PolarHBondContact O-N 3.16Å; V131-I134 PolarHBondContact O-N 3.26Å; V131-A135 VanDerWaalsContact O-CB 3.31Å; V131-A135 WeakPolarHBondContact O-CB 3.32Å; V131-A135 PolarHBondContact O-N 3.39Å; V131-F168 HydrophobicContact CG1-CD1 4.45Å; V131-F168 HydrophobicContact CG1-CE1 4.33Å; V131-F168 HydrophobicContact CG1-CZ 4.41Å; V131-F168 HydrophobicContact CG2-CD2 4.34Å; V131-F168 HydrophobicContact CG2-CE2 3.88Å; V131-F168 HydrophobicContact CG2-CZ 4.16Å
132	Q	93.1	Very high	88.9	Confident	0 Å²	0	8 Å²	8	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-60.3	-41.4	174	-65.8	178.6	42.4	0	0	111.5	Q102 V106 L121 D123 G128 K129 A135 F136	Q102-Q132 HydrophobicContact CB-CG 3.89Å; Q102-Q132 HydrophobicContact CG-CG 4.04Å; V106-Q132 HydrophobicContact CG2-CB 4.28Å; L121-Q132 HydrophobicContact CD2-CB 4.22Å; D123-Q132 PolarHBondContact OD2-NE2 2.69Å; G128-Q132 PolarHBondContact O-N 3.35Å; K129-Q132 PolarHBondContact O-N 2.79Å; Q132-A135 PolarHBondContact O-N 3.27Å; Q132-F136 VanDerWaalsContact O-CB 3.31Å; Q132-F136 WeakPolarHBondContact O-CB 3.43Å; Q132-F136 PolarHBondContact O-N 2.75Å
133	C	94.4	Very high	88.8	Confident	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-64.8	-43.6	176.6	-176.3	0	0	0	0	112.5	K129 T130 V131 F136 L137 W161 I229 L258	K129-C133 WeakPolarHBondContact O-CB 3.4Å; K129-C133 PolarHBondContact O-N 2.89Å; T130-C133 WeakPolarHBondContact O-CB 3.21Å; T130-C133 PolarHBondContact O-N 3.19Å; V131-C133 VanDerWaalsContact C-N 3.31Å; V131-C133 PolarHBondContact O-N 3.16Å; C133-F136 PolarHBondContact O-N 2.89Å; C133-L137 WeakPolarHBondContact O-CG 3.34Å; C133-L137 PolarHBondContact O-N 2.77Å; C133-W161 HydrophobicContact CB-CH2 4.02Å; C133-W161 HydrophobicContact CB-CZ3 4.4Å; C133-I229 WeakPolarHBondContact SG-CD1 3.41Å; C133-L258 HydrophobicContact CB-CD1 4.29Å
134	I	94.4	Very high	88.7	Confident	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-63.4	-46.5	176.6	-67.4	168.5	0	0	0	109.8	F94 T130 V131 F136 L137 C138 W161 E164 F165 F168 A169	F94-I134 HydrophobicContact CD2-CG2 4.16Å; F94-I134 HydrophobicContact CE2-CG2 4.22Å; T130-I134 HydrophobicContact CG2-CD1 4.08Å; T130-I134 WeakPolarHBondContact O-CG1 3.37Å; T130-I134 PolarHBondContact O-N 2.92Å; V131-I134 PolarHBondContact O-N 3.26Å; I134-F136 VanDerWaalsContact C-N 3.32Å; I134-F136 PolarHBondContact O-N 2.77Å; I134-L137 PolarHBondContact O-N 2.97Å; I134-C138 PolarHBondContact O-N 2.75Å; I134-C138 PolarHBondContact O-SG 3.09Å; I134-C138 VanDerWaalsContact O-SG 3.37Å; I134-W161 HydrophobicContact CG1-CZ3 4.29Å; I134-E164 HydrophobicContact CD1-CB 3.81Å; I134-F165 HydrophobicContact CB-CE1 4.43Å; I134-F165 HydrophobicContact CD1-CD1 4.4Å; I134-F165 HydrophobicContact CD1-CD2 4.39Å; I134-F165 HydrophobicContact CD1-CG 4.3Å; I134-F165 HydrophobicContact CG1-CD1 4.16Å; I134-F165 HydrophobicContact CG1-CD2 4.46Å; I134-F165 HydrophobicContact CG1-CE1 3.86Å; I134-F165 HydrophobicContact CG1-CE2 4.18Å; I134-F165 HydrophobicContact CG1-CG 4.44Å; I134-F165 HydrophobicContact CG1-CZ 3.87Å; I134-F165 HydrophobicContact CG2-CD1 4.17Å; I134-F165 HydrophobicContact CG2-CE1 4.09Å; I134-F168 HydrophobicContact CG2-CB 4.2Å; I134-A169 HydrophobicContact CG2-CB 3.8Å
135	A	93.3	Very high	89.1	Confident	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-58.5	-42.9	176.4	0	0	0	0	0	112.2	I91 F94 L98 V106 V131 Q132 C138 D139	I91-A135 HydrophobicContact CD1-CB 3.75Å; F94-A135 HydrophobicContact CD2-CB 3.97Å; F94-A135 HydrophobicContact CE2-CB 3.94Å; L98-A135 HydrophobicContact CD1-CB 3.83Å; L98-A135 HydrophobicContact CD2-CB 4.29Å; V106-A135 HydrophobicContact CG2-CB 3.73Å; V131-A135 VanDerWaalsContact O-CB 3.31Å; V131-A135 WeakPolarHBondContact O-CB 3.32Å; V131-A135 PolarHBondContact O-N 3.39Å; Q132-A135 PolarHBondContact O-N 3.27Å; A135-C138 PolarHBondContact O-N 3.23Å; A135-D139 PolarHBondContact O-N 3.22Å
136	F	93.9	Very high	89.5	Confident	1 Å²	1	16 Å²	16	0%	0.004	9%	0.092	C	C	.	.	H	α-helix	trans	-60.4	-47	174.6	172.1	-115	0	0	0	112.3	L109 D113 Q132 C133 I134 C138 D139 L140 Y227	L109-F136 HydrophobicContact CB-CB 4.5Å; L109-F136 HydrophobicContact CB-CD2 3.57Å; L109-F136 HydrophobicContact CB-CE2 3.82Å; L109-F136 HydrophobicContact CB-CG 3.95Å; L109-F136 HydrophobicContact CB-CZ 4.38Å; L109-F136 HydrophobicContact CD1-CB 3.89Å; L109-F136 HydrophobicContact CD1-CD1 4.38Å; L109-F136 HydrophobicContact CD1-CD2 4.45Å; L109-F136 HydrophobicContact CD1-CG 4Å; D113-F136 HydrophobicContact CB-CE2 4.33Å; D113-F136 HydrophobicContact CB-CZ 4.26Å; Q132-F136 VanDerWaalsContact O-CB 3.31Å; Q132-F136 WeakPolarHBondContact O-CB 3.43Å; Q132-F136 PolarHBondContact O-N 2.75Å; C133-F136 PolarHBondContact O-N 2.89Å; I134-F136 VanDerWaalsContact C-N 3.32Å; I134-F136 PolarHBondContact O-N 2.77Å; F136-C138 PolarHBondContact O-N 3.31Å; F136-D139 PolarHBondContact O-N 3.28Å; F136-D139 VanDerWaalsContact O-N 3.17Å; F136-L140 HydrophobicContact CD1-CD1 4.34Å; F136-L140 HydrophobicContact CE1-CD1 3.73Å; F136-L140 HydrophobicContact CE1-CG 4.41Å; F136-L140 HydrophobicContact CE2-CD1 4.24Å; F136-L140 HydrophobicContact CE2-CD2 3.98Å; F136-L140 HydrophobicContact CE2-CG 4.08Å; F136-L140 HydrophobicContact CZ-CD1 3.68Å; F136-L140 HydrophobicContact CZ-CD2 4.05Å; F136-L140 HydrophobicContact CZ-CG 4.04Å; F136-L140 WeakPolarHBondContact O-CG 3.39Å; F136-L140 PolarHBondContact O-N 3.17Å; F136-Y227 HydrophobicContact CE1-CD1 4.29Å; F136-Y227 HydrophobicContact CE1-CD2 4.37Å; F136-Y227 AromaticContact CE1-CE1 3.93Å; F136-Y227 HydrophobicContact CE1-CE1 3.93Å; F136-Y227 HydrophobicContact CE1-CE2 4.02Å; F136-Y227 AromaticContact CE1-CZ 3.81Å; F136-Y227 HydrophobicContact CZ-CE1 4.07Å; F136-Y227 AromaticContact CZ-CE2 3.82Å; F136-Y227 HydrophobicContact CZ-CE2 3.82Å; F136-Y227 AromaticContact CZ-CZ 3.54Å
137	L	93.5	Very high	89.9	Confident	1 Å²	1	16 Å²	16	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-63.4	-39.4	177.3	-69.9	174.7	0	0	0	112.4	C133 I134 D139 L140 I141 F149 I151 F165 I205 I229	C133-L137 WeakPolarHBondContact O-CG 3.34Å; C133-L137 PolarHBondContact O-N 2.77Å; I134-L137 PolarHBondContact O-N 2.97Å; L137-D139 VanDerWaalsContact C-N 3.3Å; L137-D139 PolarHBondContact O-N 2.85Å; L137-L140 HydrophobicContact CD2-CD1 4.29Å; L137-L140 PolarHBondContact O-N 3.01Å; L137-I141 WeakPolarHBondContact O-CG1 3.27Å; L137-I141 PolarHBondContact O-N 3Å; L137-F149 HydrophobicContact CD2-CB 4.27Å; L137-F149 HydrophobicContact CD2-CD1 3.9Å; L137-F149 HydrophobicContact CD2-CD2 4.33Å; L137-F149 HydrophobicContact CD2-CE1 4.25Å; L137-F149 HydrophobicContact CD2-CG 3.92Å; L137-I151 HydrophobicContact CD1-CD1 4.03Å; L137-F165 HydrophobicContact CD1-CZ 4.14Å; L137-I205 HydrophobicContact CB-CD1 4.48Å; L137-I205 HydrophobicContact CD1-CD1 4Å; L137-I229 HydrophobicContact CD1-CD1 4.09Å; L137-I229 HydrophobicContact CD2-CD1 4.05Å; L137-I229 HydrophobicContact CG-CD1 4.26Å
138	C	91.6	Very high	90.3	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.007	10%	0.101	C	C	.	.	H	α-helix	trans	-61.4	-39.6	173.6	-70.2	0	0	0	0	111.9	I91 F94 I134 A135 F136 I141 R142	I91-C138 HydrophobicContact CG2-CB 3.68Å; F94-C138 HydrophobicContact CB-CB 4.42Å; I134-C138 PolarHBondContact O-N 2.75Å; I134-C138 PolarHBondContact O-SG 3.09Å; I134-C138 VanDerWaalsContact O-SG 3.37Å; A135-C138 PolarHBondContact O-N 3.23Å; F136-C138 PolarHBondContact O-N 3.31Å; C138-I141 PolarHBondContact O-N 2.86Å; C138-R142 PolarHBondContact O-N 3.31Å
139	D	90.2	Very high	90.7	Very high	4 Å²	4	17.1 Å²	17.1	2%	0.021	10%	0.099	C	C	.	.	H	α-helix	trans	-67.4	-37.1	177.7	-163.8	30.4	0	0	0	112.3	Y89 I91 K110 A135 F136 L137 R142 E143	Y89-D139 PolarHBondContact OH-OD2 2.93Å; I91-D139 HydrophobicContact CG2-CB 4.17Å; K110-D139 WeakPolarHBondContact CD-OD2 3.43Å; K110-D139 IonicContact NZ-OD1 2.88Å; K110-D139 PolarHBondContact NZ-OD1 3.28Å; K110-D139 IonicContact NZ-OD2 3.95Å; K110-D139 PolarHBondContact NZ-OD2 3.28Å; A135-D139 PolarHBondContact O-N 3.22Å; F136-D139 PolarHBondContact O-N 3.28Å; F136-D139 VanDerWaalsContact O-N 3.17Å; L137-D139 VanDerWaalsContact C-N 3.3Å; L137-D139 PolarHBondContact O-N 2.85Å; D139-R142 WeakPolarHBondContact O-CB 3.28Å; D139-R142 PolarHBondContact O-N 2.52Å; D139-R142 IonicContact OD1-CZ 3.75Å; D139-R142 IonicContact OD1-NE 3.64Å; D139-R142 PolarHBondContact OD1-NE 3.44Å; D139-R142 IonicContact OD1-NH2 2.64Å; D139-R142 PolarHBondContact OD1-NH2 3.1Å; D139-E143 PolarHBondContact O-N 2.68Å
140	L	91.1	Very high	90.9	Very high	3 Å²	3	16.1 Å²	16.1	2%	0.016	9%	0.094	C	C	.	.	H	α-helix	trans	-64.1	-42.7	172.2	-64.9	178.6	0	0	0	112.1	D113 F136 L137 R142 E143 I145 F149 Y227	D113-L140 HydrophobicContact CB-CD2 4.45Å; D113-L140 WeakPolarHBondContact OD2-CD2 3.37Å; F136-L140 HydrophobicContact CD1-CD1 4.34Å; F136-L140 HydrophobicContact CE1-CD1 3.73Å; F136-L140 HydrophobicContact CE1-CG 4.41Å; F136-L140 HydrophobicContact CE2-CD1 4.24Å; F136-L140 HydrophobicContact CE2-CD2 3.98Å; F136-L140 HydrophobicContact CE2-CG 4.08Å; F136-L140 HydrophobicContact CZ-CD1 3.68Å; F136-L140 HydrophobicContact CZ-CD2 4.05Å; F136-L140 HydrophobicContact CZ-CG 4.04Å; F136-L140 WeakPolarHBondContact O-CG 3.39Å; F136-L140 PolarHBondContact O-N 3.17Å; L137-L140 HydrophobicContact CD2-CD1 4.29Å; L137-L140 PolarHBondContact O-N 3.01Å; L140-R142 VanDerWaalsContact C-N 3.28Å; L140-R142 PolarHBondContact O-N 3.46Å; L140-E143 PolarHBondContact O-N 3.01Å; L140-E143 VanDerWaalsContact O-N 3.1Å; L140-I145 HydrophobicContact CB-CB 4.32Å; L140-I145 HydrophobicContact CB-CD1 4.11Å; L140-I145 HydrophobicContact CD2-CD1 3.71Å; L140-I145 HydrophobicContact CG-CD1 4.44Å; L140-I145 WeakPolarHBondContact O-CB 3.38Å; L140-I145 PolarHBondContact O-N 3.29Å; L140-F149 HydrophobicContact CB-CZ 4.22Å; L140-F149 HydrophobicContact CD1-CE1 3.93Å; L140-F149 HydrophobicContact CD1-CZ 4.26Å; L140-Y227 HydrophobicContact CD1-CD2 3.63Å; L140-Y227 HydrophobicContact CD1-CE2 3.57Å
141	I	89.9	Confident	91.1	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-62.4	-39.3	178	-68.2	165.6	0	0	0	110.3	Y93 L137 C138 E143 G144 F149 V172 V197 E200 C202	Y93-I141 HydrophobicContact CD2-CG2 4.43Å; Y93-I141 HydrophobicContact CE2-CG2 4.28Å; L137-I141 WeakPolarHBondContact O-CG1 3.27Å; L137-I141 PolarHBondContact O-N 3Å; C138-I141 PolarHBondContact O-N 2.86Å; I141-E143 PolarHBondContact O-N 2.84Å; I141-G144 PolarHBondContact O-N 2.82Å; I141-F149 HydrophobicContact CD1-CE2 4.46Å; I141-F149 HydrophobicContact CG1-CE2 4Å; I141-V172 HydrophobicContact CD1-CG1 3.88Å; I141-V172 HydrophobicContact CD1-CG2 4.2Å; I141-V197 HydrophobicContact CG2-CB 4.48Å; I141-V197 HydrophobicContact CG2-CG1 4.45Å; I141-E200 HydrophobicContact CG2-CB 4.38Å; I141-C202 HydrophobicContact CD1-CB 4.47Å; I141-C202 HydrophobicContact CG1-CB 4.3Å
142	R	86.1	Confident	91.2	Very high	57 Å²	57	14.7 Å²	14.7	22%	0.215	9%	0.086	C	C	.	.	H	α-helix	trans	-58.4	-32.8	174.6	179.3	-169.5	68.1	65.8	12	112.7	P92 C138 D139 L140 G144	P92-R142 HydrophobicContact CB-CG 4.37Å; P92-R142 HydrophobicContact CG-CG 3.97Å; C138-R142 PolarHBondContact O-N 3.31Å; D139-R142 WeakPolarHBondContact O-CB 3.28Å; D139-R142 PolarHBondContact O-N 2.52Å; D139-R142 IonicContact OD1-CZ 3.75Å; D139-R142 IonicContact OD1-NE 3.64Å; D139-R142 PolarHBondContact OD1-NE 3.44Å; D139-R142 IonicContact OD1-NH2 2.64Å; D139-R142 PolarHBondContact OD1-NH2 3.1Å; L140-R142 VanDerWaalsContact C-N 3.28Å; L140-R142 PolarHBondContact O-N 3.46Å; R142-G144 PolarHBondContact O-N 2.96Å
143	E	85.3	Confident	91.1	Very high	70 Å²	70	14.7 Å²	14.7	33%	0.327	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	5.5	177.4	-66.4	-177.7	176	0	0	113.3	K110 D139 L140 I141	K110-E143 WeakPolarHBondContact CE-OE1 3.19Å; K110-E143 IonicContact NZ-OE1 2.9Å; K110-E143 PolarHBondContact NZ-OE1 3.48Å; D139-E143 PolarHBondContact O-N 2.68Å; L140-E143 PolarHBondContact O-N 3.01Å; L140-E143 VanDerWaalsContact O-N 3.1Å; I141-E143 PolarHBondContact O-N 2.84Å
144	G	84.6	Confident	90.7	Very high	32 Å²	32	14.7 Å²	14.7	33%	0.33	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.1	12.1	179.7	0	0	0	0	0	113.5	I141 R142 V146	I141-G144 PolarHBondContact O-N 2.82Å; R142-G144 PolarHBondContact O-N 2.96Å; G144-V146 PolarHBondContact O-N 3.01Å
145	I	87.9	Confident	90.1	Very high	35 Å²	35	20.6 Å²	20.6	18%	0.179	11%	0.109	C	C	.	.			trans	-77.1	107	177.2	-58.3	171.6	0	0	0	108.9	L140 G147 F149 R226	L140-I145 HydrophobicContact CB-CB 4.32Å; L140-I145 HydrophobicContact CB-CD1 4.11Å; L140-I145 HydrophobicContact CD2-CD1 3.71Å; L140-I145 HydrophobicContact CG-CD1 4.44Å; L140-I145 WeakPolarHBondContact O-CB 3.38Å; L140-I145 PolarHBondContact O-N 3.29Å; I145-G147 PolarHBondContact O-N 2.66Å; I145-F149 HydrophobicContact CG2-CE1 4.2Å; I145-F149 HydrophobicContact CG2-CZ 3.87Å; I145-R226 HydrophobicContact CG2-CG 3.8Å
146	V	88.1	Confident	89.4	Confident	61 Å²	61	21.4 Å²	21.4	37%	0.37	12%	0.116	S	C	.	.			trans	-70.8	-14.1	-174	-58.5	0	0	0	0	114.7	G144 K201 C202 Y203	G144-V146 PolarHBondContact O-N 3.01Å; V146-K201 WeakPolarHBondContact CG1-O 3.33Å; V146-C202 CarbonylContact O-C 3.48Å; V146-C202 WeakPolarHBondContact O-CA 3.21Å; V146-C202 WeakPolarHBondContact O-CB 3.31Å; V146-Y203 HydrophobicContact CG2-CD2 4.42Å; V146-Y203 HydrophobicContact CG2-CE2 4.28Å; V146-Y203 PolarHBondContact O-N 3.07Å
147	G	85.3	Confident	88.9	Confident	13 Å²	13	21.6 Å²	21.6	13%	0.134	12%	0.117	C	C	.	.			trans	93.5	-157.5	-168.7	0	0	0	0	0	112.3	I145	I145-G147 PolarHBondContact O-N 2.66Å
148	P	92.5	Very high	88.7	Confident	29 Å²	29	21.7 Å²	21.7	19%	0.188	12%	0.118	C	C	.	.			cis	-81.4	146.1	8.2	31.3	-32.6	0	0	0	112.9	I223 E224 W225 R226	P148-I223 HydrophobicContact CB-CG2 4.36Å; P148-I223 HydrophobicContact CG-CG2 3.62Å; P148-E224 WeakPolarHBondContact CD-O 3.33Å; P148-E224 VanDerWaalsContact CG-O 3.3Å; P148-E224 WeakPolarHBondContact CG-O 3.2Å; P148-W225 HydrophobicContact CB-CE3 3.79Å; P148-W225 HydrophobicContact CB-CZ3 3.83Å; P148-W225 HydrophobicContact CG-CE3 3.99Å; P148-W225 HydrophobicContact CG-CZ3 4.4Å; P148-R226 PolarHBondContact O-N 2.96Å
149	F	94.8	Very high	88.3	Confident	1 Å²	1	24.5 Å²	24.5	0%	0.004	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	132.5	-180	-54.1	-61	0	0	0	110.4	L137 L140 I141 I145 I205 I206 R226 Y227	L137-F149 HydrophobicContact CD2-CB 4.27Å; L137-F149 HydrophobicContact CD2-CD1 3.9Å; L137-F149 HydrophobicContact CD2-CD2 4.33Å; L137-F149 HydrophobicContact CD2-CE1 4.25Å; L137-F149 HydrophobicContact CD2-CG 3.92Å; L140-F149 HydrophobicContact CB-CZ 4.22Å; L140-F149 HydrophobicContact CD1-CE1 3.93Å; L140-F149 HydrophobicContact CD1-CZ 4.26Å; I141-F149 HydrophobicContact CD1-CE2 4.46Å; I141-F149 HydrophobicContact CG1-CE2 4Å; I145-F149 HydrophobicContact CG2-CE1 4.2Å; I145-F149 HydrophobicContact CG2-CZ 3.87Å; F149-I205 HydrophobicContact CB-CG1 4.27Å; F149-I205 HydrophobicContact CB-CG2 4.38Å; F149-I205 HydrophobicContact CD2-CG1 4.13Å; F149-I206 PolarHBondContact O-N 3.37Å; F149-R226 HydrophobicContact CD1-CB 4.32Å; F149-R226 HydrophobicContact CE1-CB 4.11Å; F149-R226 HydrophobicContact CE1-CG 3.99Å; F149-Y227 HydrophobicContact CD1-CD2 4.45Å; F149-Y227 HydrophobicContact CE1-CD2 4.25Å
150	C	94.9	Very high	88.2	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126.8	177.2	-176.6	0	0	0	0	111.3	I206 W225 Y227 L228 I229	C150-I206 WeakPolarHBondContact CA-O 3.42Å; C150-W225 HydrophobicContact CB-CD2 3.79Å; C150-W225 HydrophobicContact CB-CE3 3.47Å; C150-W225 VanDerWaalsContact CB-CE3 3.47Å; C150-W225 HydrophobicContact CB-CG 4.49Å; C150-W225 HydrophobicContact CB-CH2 4.08Å; C150-W225 HydrophobicContact CB-CZ2 4.37Å; C150-W225 HydrophobicContact CB-CZ3 3.62Å; C150-Y227 PolarHBondContact N-O 3.36Å; C150-L228 HydrophobicContact CB-CD1 4.11Å; C150-I229 PolarHBondContact O-N 2.95Å
151	I	95.6	Very high	88.2	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	122.8	170.7	-60.5	166.9	0	0	0	107.9	L137 W161 F165 I205 I206 I207 C208 I229	L137-I151 HydrophobicContact CD1-CD1 4.03Å; I151-W161 HydrophobicContact CD1-CE3 4.05Å; I151-W161 HydrophobicContact CD1-CH2 4.47Å; I151-W161 HydrophobicContact CD1-CZ3 3.83Å; I151-W161 HydrophobicContact CG2-CD2 4.26Å; I151-W161 HydrophobicContact CG2-CE3 4.42Å; I151-W161 HydrophobicContact CG2-CH2 4.28Å; I151-W161 HydrophobicContact CG2-CZ2 4.13Å; I151-W161 HydrophobicContact CG2-CZ3 4.43Å; I151-F165 HydrophobicContact CD1-CE2 3.67Å; I151-F165 HydrophobicContact CD1-CZ 3.71Å; I151-I205 HydrophobicContact CD1-CG2 3.79Å; I151-I205 HydrophobicContact CG1-CG2 4.27Å; I151-I206 PolarHBondContact N-O 3.25Å; I151-I207 HydrophobicContact CB-CG1 4.37Å; I151-I207 HydrophobicContact CB-CG2 4.44Å; I151-I207 HydrophobicContact CD1-CG1 4.38Å; I151-I207 HydrophobicContact CG2-CG2 4.4Å; I151-I207 WeakPolarHBondContact O-CA 3.48Å; I151-C208 PolarHBondContact O-N 3.24Å; I151-I229 CarbonylContact C-O 3.51Å; I151-I229 WeakPolarHBondContact CA-O 3.36Å; I151-I229 HydrophobicContact CG1-CB 4.14Å; I151-I229 HydrophobicContact CG1-CD1 4.27Å
152	V	94.4	Very high	88.3	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	114.8	174.9	-171.6	0	0	0	0	108.4	C208 Y210 V213 L228 I229 L230 D231 M247	V152-C208 CarbonylContact C-O 3.58Å; V152-C208 VanDerWaalsContact CA-O 3.31Å; V152-C208 WeakPolarHBondContact CA-O 3.42Å; V152-Y210 HydrophobicContact CG1-CD1 3.71Å; V152-Y210 HydrophobicContact CG1-CD2 3.88Å; V152-Y210 HydrophobicContact CG1-CE1 3.86Å; V152-Y210 HydrophobicContact CG1-CE2 4.02Å; V152-Y210 HydrophobicContact CG1-CG 3.73Å; V152-V213 HydrophobicContact CG1-CG2 4.25Å; V152-V213 HydrophobicContact CG2-CG2 4.15Å; V152-L228 HydrophobicContact CG2-CD1 3.91Å; V152-I229 PolarHBondContact N-O 3.2Å; V152-L230 HydrophobicContact CB-CD2 3.6Å; V152-L230 HydrophobicContact CG1-CD2 4.37Å; V152-L230 HydrophobicContact CG2-CD2 3.71Å; V152-D231 PolarHBondContact O-N 2.86Å; V152-M247 HydrophobicContact CG1-CE 3.93Å; V152-M247 HydrophobicContact CG2-CE 4.45Å
153	A	91.5	Very high	88.4	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	161.5	-176.1	0	0	0	0	0	111.8	T157 L158 C208 N209 D231	A153-T157 WeakPolarHBondContact CB-OG1 3.3Å; A153-L158 HydrophobicContact CB-CD2 4.31Å; A153-C208 PolarHBondContact N-O 3.33Å; A153-N209 WeakPolarHBondContact O-CA 3.3Å; A153-D231 HydrophobicContact CB-CB 3.79Å
154	P	85.3	Confident	88.7	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.153	C	C	.	.			trans	-56.1	147.5	170.2	-24.8	34.6	0	0	0	111.9	A156 T157 E232	P154-A156 PolarHBondContact O-N 3.1Å; P154-A156 VanDerWaalsContact O-N 3.1Å; P154-T157 WeakPolarHBondContact CD-OG1 3.38Å; P154-T157 PolarHBondContact O-N 3.21Å; P154-T157 PolarHBondContact O-OG1 3.02Å; P154-E232 HydrophobicContact CG-CB 3.8Å; P154-E232 HydrophobicContact CG-CG 3.89Å
155	Y	83.3	Confident	89.2	Confident	123 Å²	123	25.4 Å²	25.4	48%	0.482	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-52.3	-38.5	179.7	-178.6	-95.4	0	0	0	113.3	T157 L158	Y155-T157 PolarHBondContact O-N 3.03Å; Y155-L158 HydrophobicContact CD2-CD1 4.06Å; Y155-L158 PolarHBondContact O-N 3.31Å
156	A	77.8	Confident	89.4	Confident	18 Å²	18	29.7 Å²	29.7	15%	0.149	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-65.9	-19.2	-179.2	0	0	0	0	0	114.6	P154 L498	P154-A156 PolarHBondContact O-N 3.1Å; P154-A156 VanDerWaalsContact O-N 3.1Å; A156-L498 HydrophobicContact CB-CB 4.13Å; A156-L498 WeakPolarHBondContact CB-O 3.35Å
157	T	84.3	Confident	89.5	Confident	5 Å²	5	34.7 Å²	34.7	3%	0.031	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-102.1	-6.7	-177.5	57.8	0	0	0	0	114.1	A153 P154 Y155 D159 N160 W161 G499	A153-T157 WeakPolarHBondContact CB-OG1 3.3Å; P154-T157 WeakPolarHBondContact CD-OG1 3.38Å; P154-T157 PolarHBondContact O-N 3.21Å; P154-T157 PolarHBondContact O-OG1 3.02Å; Y155-T157 PolarHBondContact O-N 3.03Å; T157-D159 PolarHBondContact O-N 2.83Å; T157-N160 WeakPolarHBondContact O-CB 3.44Å; T157-N160 PolarHBondContact O-N 3.16Å; T157-N160 VanDerWaalsContact O-N 3.08Å; T157-W161 VanDerWaalsContact O-CD1 3.28Å; T157-W161 PolarHBondContact O-N 2.77Å; T157-G499 VanDerWaalsContact CG2-CA 3.46Å
158	L	87.9	Confident	89.8	Confident	3 Å²	3	35.1 Å²	35.1	2%	0.016	17%	0.166	C	C	.	.	H	α-helix	trans	-57.6	-46.8	-176.5	-63.2	178.7	0	0	0	112.2	A153 Y155 N160 W161 E162 I176 H178 I207 N209	A153-L158 HydrophobicContact CB-CD2 4.31Å; Y155-L158 HydrophobicContact CD2-CD1 4.06Å; Y155-L158 PolarHBondContact O-N 3.31Å; L158-N160 VanDerWaalsContact C-N 3.27Å; L158-N160 PolarHBondContact O-N 3.35Å; L158-W161 WeakPolarHBondContact O-CB 3.49Å; L158-W161 PolarHBondContact O-N 2.9Å; L158-E162 PolarHBondContact O-N 2.77Å; L158-I176 HydrophobicContact CB-CG2 4.31Å; L158-I176 HydrophobicContact CD1-CG2 4.4Å; L158-H178 HydrophobicContact CD1-CB 4.34Å; L158-I207 HydrophobicContact CD2-CG2 3.74Å; L158-N209 HydrophobicContact CD1-CB 4.19Å
159	D	84.6	Confident	89.8	Confident	60 Å²	60	33.8 Å²	33.8	32%	0.321	16%	0.158	S	C	.	.	H	α-helix	trans	-65.2	-34.1	178.7	-59	-24.1	0	0	0	111.6	T157 E162 S163 Q474	T157-D159 PolarHBondContact O-N 2.83Å; D159-E162 PolarHBondContact O-N 3.32Å; D159-S163 WeakPolarHBondContact O-CB 2.87Å; D159-S163 PolarHBondContact O-N 3.4Å; D159-S163 PolarHBondContact O-OG 3.2Å; D159-Q474 PolarHBondContact OD2-NE2 2.99Å
160	N	87.1	Confident	89.6	Confident	32 Å²	32	37.5 Å²	37.5	17%	0.171	18%	0.182	C	C	.	.	H	α-helix	trans	-67.2	-45.2	175.8	-179.6	82.8	0	0	0	110.4	T157 L158 E162 S163 E164	T157-N160 WeakPolarHBondContact O-CB 3.44Å; T157-N160 PolarHBondContact O-N 3.16Å; T157-N160 VanDerWaalsContact O-N 3.08Å; L158-N160 VanDerWaalsContact C-N 3.27Å; L158-N160 PolarHBondContact O-N 3.35Å; N160-E162 VanDerWaalsContact C-N 3.33Å; N160-E162 PolarHBondContact O-N 3.22Å; N160-S163 PolarHBondContact O-N 3.05Å; N160-E164 WeakPolarHBondContact O-CB 3.2Å; N160-E164 WeakPolarHBondContact O-CG 3.4Å; N160-E164 PolarHBondContact O-N 3.44Å
161	W	91.9	Very high	89.3	Confident	1 Å²	1	44.4 Å²	44.4	0%	0.004	21%	0.212	C	C	.	.	H	α-helix	trans	-57.5	-45.5	173.9	-84.6	99.4	0	0	0	111.7	T130 C133 I134 I151 T157 L158 S163 E164 F165 I207 D231 L258	T130-W161 HydrophobicContact CG2-CD2 3.89Å; T130-W161 HydrophobicContact CG2-CE3 3.62Å; T130-W161 HydrophobicContact CG2-CH2 3.86Å; T130-W161 HydrophobicContact CG2-CZ2 4.09Å; T130-W161 HydrophobicContact CG2-CZ3 3.61Å; C133-W161 HydrophobicContact CB-CH2 4.02Å; C133-W161 HydrophobicContact CB-CZ3 4.4Å; I134-W161 HydrophobicContact CG1-CZ3 4.29Å; I151-W161 HydrophobicContact CD1-CE3 4.05Å; I151-W161 HydrophobicContact CD1-CH2 4.47Å; I151-W161 HydrophobicContact CD1-CZ3 3.83Å; I151-W161 HydrophobicContact CG2-CD2 4.26Å; I151-W161 HydrophobicContact CG2-CE3 4.42Å; I151-W161 HydrophobicContact CG2-CH2 4.28Å; I151-W161 HydrophobicContact CG2-CZ2 4.13Å; I151-W161 HydrophobicContact CG2-CZ3 4.43Å; T157-W161 VanDerWaalsContact O-CD1 3.28Å; T157-W161 PolarHBondContact O-N 2.77Å; L158-W161 WeakPolarHBondContact O-CB 3.49Å; L158-W161 PolarHBondContact O-N 2.9Å; W161-S163 PolarHBondContact O-N 3.35Å; W161-E164 PolarHBondContact O-N 3.36Å; W161-F165 HydrophobicContact CE3-CD2 4.32Å; W161-F165 AromaticContact CE3-CE2 3.75Å; W161-F165 HydrophobicContact CE3-CE2 3.75Å; W161-F165 HydrophobicContact CZ3-CE2 4.21Å; W161-F165 VanDerWaalsContact O-CD2 3.25Å; W161-F165 WeakPolarHBondContact O-CD2 3.19Å; W161-F165 PolarHBondContact O-N 2.94Å; W161-I207 HydrophobicContact CB-CD1 4.07Å; W161-I207 HydrophobicContact CB-CG2 4.32Å; W161-D231 HydrophobicContact CZ2-CB 4.1Å; W161-D231 PolarHBondContact NE1-OD2 3.39Å; W161-L258 HydrophobicContact CH2-CD1 3.91Å; W161-L258 HydrophobicContact CZ2-CD1 3.9Å
162	E	90.5	Very high	89	Confident	61 Å²	61	44.9 Å²	44.9	29%	0.285	22%	0.215	S	C	.	.	H	α-helix	trans	-60.4	-45.9	176.5	-162.2	-158.5	-166.2	0	0	112.4	L158 D159 N160 E164 F165 K166 I176	L158-E162 PolarHBondContact O-N 2.77Å; D159-E162 PolarHBondContact O-N 3.32Å; N160-E162 VanDerWaalsContact C-N 3.33Å; N160-E162 PolarHBondContact O-N 3.22Å; E162-E164 VanDerWaalsContact C-N 3.31Å; E162-E164 PolarHBondContact O-N 3.35Å; E162-F165 PolarHBondContact O-N 2.89Å; E162-K166 VanDerWaalsContact CD-CE 3.49Å; E162-K166 HydrophobicContact CG-CD 4.42Å; E162-K166 WeakPolarHBondContact O-CG 3.29Å; E162-K166 PolarHBondContact O-N 2.92Å; E162-K166 VanDerWaalsContact OE1-CE 3.25Å; E162-K166 WeakPolarHBondContact OE1-CE 3.49Å; E162-K166 IonicContact OE1-NZ 2.75Å; E162-K166 PolarHBondContact OE1-NZ 3.43Å; E162-K166 IonicContact OE2-NZ 2.92Å; E162-K166 PolarHBondContact OE2-NZ 3Å; E162-I176 HydrophobicContact CB-CD1 3.59Å; E162-I176 HydrophobicContact CB-CG1 4.2Å; E162-I176 HydrophobicContact CG-CD1 3.68Å; E162-I176 HydrophobicContact CG-CG1 4.06Å
163	S	89.2	Confident	88.8	Confident	65 Å²	65	45.5 Å²	45.5	46%	0.455	22%	0.219	S	C	.	.	H	α-helix	trans	-62.2	-40.7	178.9	-56.8	0	0	0	0	111.6	D159 N160 W161 K166 R167	D159-S163 WeakPolarHBondContact O-CB 2.87Å; D159-S163 PolarHBondContact O-N 3.4Å; D159-S163 PolarHBondContact O-OG 3.2Å; N160-S163 PolarHBondContact O-N 3.05Å; W161-S163 PolarHBondContact O-N 3.35Å; S163-K166 PolarHBondContact O-N 3.22Å; S163-R167 WeakPolarHBondContact O-CB 3.45Å; S163-R167 PolarHBondContact O-N 3.21Å
164	E	92.2	Very high	88.9	Confident	22 Å²	22	47.6 Å²	47.6	10%	0.103	23%	0.232	C	C	.	.	H	α-helix	trans	-68.2	-40.1	177.6	-68.3	-76.4	125.1	0	0	111.6	T130 I134 N160 W161 E162 R167 F168	T130-E164 HydrophobicContact CG2-CB 4.21Å; T130-E164 HydrophobicContact CG2-CG 4.27Å; I134-E164 HydrophobicContact CD1-CB 3.81Å; N160-E164 WeakPolarHBondContact O-CB 3.2Å; N160-E164 WeakPolarHBondContact O-CG 3.4Å; N160-E164 PolarHBondContact O-N 3.44Å; W161-E164 PolarHBondContact O-N 3.36Å; E162-E164 VanDerWaalsContact C-N 3.31Å; E162-E164 PolarHBondContact O-N 3.35Å; E164-R167 PolarHBondContact O-N 2.72Å; E164-F168 HydrophobicContact CB-CD2 4.45Å; E164-F168 WeakPolarHBondContact O-CB 3.49Å; E164-F168 WeakPolarHBondContact O-CD2 3.48Å; E164-F168 PolarHBondContact O-N 3.41Å; E164-F168 WeakPolarHBondContact OE2-CE2 3.33Å
165	F	93.4	Very high	89.2	Confident	5 Å²	5	48.6 Å²	48.6	2%	0.022	24%	0.237	C	C	.	.	H	α-helix	trans	-63.5	-42.7	172.2	-88.9	-72.8	0	0	0	112.2	I134 L137 I151 W161 E162 R167 A169 V174 I205 I207	I134-F165 HydrophobicContact CB-CE1 4.43Å; I134-F165 HydrophobicContact CD1-CD1 4.4Å; I134-F165 HydrophobicContact CD1-CD2 4.39Å; I134-F165 HydrophobicContact CD1-CG 4.3Å; I134-F165 HydrophobicContact CG1-CD1 4.16Å; I134-F165 HydrophobicContact CG1-CD2 4.46Å; I134-F165 HydrophobicContact CG1-CE1 3.86Å; I134-F165 HydrophobicContact CG1-CE2 4.18Å; I134-F165 HydrophobicContact CG1-CG 4.44Å; I134-F165 HydrophobicContact CG1-CZ 3.87Å; I134-F165 HydrophobicContact CG2-CD1 4.17Å; I134-F165 HydrophobicContact CG2-CE1 4.09Å; L137-F165 HydrophobicContact CD1-CZ 4.14Å; I151-F165 HydrophobicContact CD1-CE2 3.67Å; I151-F165 HydrophobicContact CD1-CZ 3.71Å; W161-F165 HydrophobicContact CE3-CD2 4.32Å; W161-F165 AromaticContact CE3-CE2 3.75Å; W161-F165 HydrophobicContact CE3-CE2 3.75Å; W161-F165 HydrophobicContact CZ3-CE2 4.21Å; W161-F165 VanDerWaalsContact O-CD2 3.25Å; W161-F165 WeakPolarHBondContact O-CD2 3.19Å; W161-F165 PolarHBondContact O-N 2.94Å; E162-F165 PolarHBondContact O-N 2.89Å; F165-R167 PolarHBondContact O-N 3.15Å; F165-A169 HydrophobicContact CD1-CB 4.23Å; F165-A169 CarbonylContact O-C 3.59Å; F165-A169 VanDerWaalsContact O-CA 3.31Å; F165-A169 WeakPolarHBondContact O-CA 3.44Å; F165-A169 PolarHBondContact O-N 3.44Å; F165-V174 HydrophobicContact CB-CG2 3.87Å; F165-V174 HydrophobicContact CD1-CG2 3.65Å; F165-V174 HydrophobicContact CD2-CG1 4.26Å; F165-V174 HydrophobicContact CD2-CG2 4.11Å; F165-V174 HydrophobicContact CE1-CG2 4.17Å; F165-V174 HydrophobicContact CG-CG1 4.49Å; F165-V174 HydrophobicContact CG-CG2 3.63Å; F165-I205 HydrophobicContact CE1-CD1 3.62Å; F165-I205 HydrophobicContact CZ-CD1 3.89Å; F165-I205 HydrophobicContact CZ-CG2 4.18Å; F165-I207 HydrophobicContact CD2-CD1 3.66Å; F165-I207 HydrophobicContact CE2-CD1 3.6Å
166	K	92.2	Very high	89.7	Confident	124 Å²	124	43.6 Å²	43.6	54%	0.539	22%	0.218	S	C	.	.	H	α-helix	trans	-60.2	-35.4	174.5	-74.5	171	-178.6	164.7	0	112	E162 S163	E162-K166 VanDerWaalsContact CD-CE 3.49Å; E162-K166 HydrophobicContact CG-CD 4.42Å; E162-K166 WeakPolarHBondContact O-CG 3.29Å; E162-K166 PolarHBondContact O-N 2.92Å; E162-K166 VanDerWaalsContact OE1-CE 3.25Å; E162-K166 WeakPolarHBondContact OE1-CE 3.49Å; E162-K166 IonicContact OE1-NZ 2.75Å; E162-K166 PolarHBondContact OE1-NZ 3.43Å; E162-K166 IonicContact OE2-NZ 2.92Å; E162-K166 PolarHBondContact OE2-NZ 3Å; S163-K166 PolarHBondContact O-N 3.22Å
167	R	91.1	Very high	90.3	Very high	167 Å²	167	42.8 Å²	42.8	63%	0.63	21%	0.211	S	C	*	.	H	α-helix	trans	-78.5	-47.3	-179.8	-178	179.8	179.5	-174.9	3.1	113.4	T95 S163 E164 F165	T95-R167 PolarHBondContact OG1-O 3.34Å; S163-R167 WeakPolarHBondContact O-CB 3.45Å; S163-R167 PolarHBondContact O-N 3.21Å; E164-R167 PolarHBondContact O-N 2.72Å; F165-R167 PolarHBondContact O-N 3.15Å
168	F	91.8	Very high	90.4	Very high	22 Å²	22	45.2 Å²	45.2	10%	0.096	22%	0.222	C	C	.	.	H	α-helix	trans	-102.2	-16.5	-169.6	-71	-71.5	0	0	0	114.2	F94 T95 V131 I134 E164	F94-F168 CarbonylContact C-O 3.57Å; F94-F168 VanDerWaalsContact CA-O 3.24Å; F94-F168 WeakPolarHBondContact CA-O 3.46Å; F94-F168 HydrophobicContact CD2-CB 4.16Å; F94-F168 HydrophobicContact CE1-CD1 4.09Å; F94-F168 HydrophobicContact CE2-CB 3.67Å; F94-F168 AromaticContact CE2-CD1 3.9Å; F94-F168 HydrophobicContact CE2-CD1 3.9Å; F94-F168 HydrophobicContact CE2-CG 4.01Å; F94-F168 HydrophobicContact CZ-CB 4.14Å; F94-F168 AromaticContact CZ-CD1 3.45Å; F94-F168 HydrophobicContact CZ-CD1 3.45Å; F94-F168 VanDerWaalsContact CZ-CD1 3.45Å; F94-F168 HydrophobicContact CZ-CE1 4.13Å; F94-F168 HydrophobicContact CZ-CG 4.04Å; T95-F168 PolarHBondContact N-O 3.08Å; T95-F168 VanDerWaalsContact O-CD1 3.24Å; T95-F168 WeakPolarHBondContact O-CD1 3.33Å; T95-F168 WeakPolarHBondContact OG1-CA 3.1Å; T95-F168 PolarHBondContact OG1-O 2.88Å; V131-F168 HydrophobicContact CG1-CD1 4.45Å; V131-F168 HydrophobicContact CG1-CE1 4.33Å; V131-F168 HydrophobicContact CG1-CZ 4.41Å; V131-F168 HydrophobicContact CG2-CD2 4.34Å; V131-F168 HydrophobicContact CG2-CE2 3.88Å; V131-F168 HydrophobicContact CG2-CZ 4.16Å; I134-F168 HydrophobicContact CG2-CB 4.2Å; E164-F168 HydrophobicContact CB-CD2 4.45Å; E164-F168 WeakPolarHBondContact O-CB 3.49Å; E164-F168 WeakPolarHBondContact O-CD2 3.48Å; E164-F168 PolarHBondContact O-N 3.41Å; E164-F168 WeakPolarHBondContact OE2-CE2 3.33Å
169	A	91.2	Very high	90.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.237	C	C	.	.			trans	-149.7	57.8	-180	0	0	0	0	0	111.8	I134 F165 K171 V172	I134-A169 HydrophobicContact CG2-CB 3.8Å; F165-A169 HydrophobicContact CD1-CB 4.23Å; F165-A169 CarbonylContact O-C 3.59Å; F165-A169 VanDerWaalsContact O-CA 3.31Å; F165-A169 WeakPolarHBondContact O-CA 3.44Å; F165-A169 PolarHBondContact O-N 3.44Å; A169-K171 PolarHBondContact O-N 2.84Å; A169-V172 HydrophobicContact CB-CB 4.14Å; A169-V172 HydrophobicContact CB-CG2 3.86Å; A169-V172 PolarHBondContact O-N 3.12Å
170	P	90.6	Very high	90.3	Very high	80 Å²	80	47.6 Å²	47.6	52%	0.519	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-20.8	-172.6	24.4	-34.8	0	0	0	114.3	T95	T95-P170 HydrophobicContact CG2-CG 4.23Å; T95-P170 VanDerWaalsContact OG1-CD 3.25Å; T95-P170 WeakPolarHBondContact OG1-CD 3.5Å
171	K	88.9	Confident	90.3	Very high	145 Å²	145	52.9 Å²	52.9	63%	0.63	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-16.5	178.4	-64.7	-177.6	-179.6	177.7	0	113	Y93 A169 V197	Y93-K171 HydrophobicContact CD1-CD 4.32Å; A169-K171 PolarHBondContact O-N 2.84Å; K171-V197 HydrophobicContact CB-CG1 4.29Å
172	V	90.1	Very high	90.2	Very high	10 Å²	10	57.3 Å²	57.3	6%	0.061	29%	0.291	C	S	.	.	S	Bend	trans	-84.1	129.7	-175.9	178.6	0	0	0	0	109	I141 A169 V174 V197 I205	I141-V172 HydrophobicContact CD1-CG1 3.88Å; I141-V172 HydrophobicContact CD1-CG2 4.2Å; A169-V172 HydrophobicContact CB-CB 4.14Å; A169-V172 HydrophobicContact CB-CG2 3.86Å; A169-V172 PolarHBondContact O-N 3.12Å; V172-V174 PolarHBondContact O-N 3.42Å; V172-V197 HydrophobicContact CG2-CG1 4.34Å; V172-I205 HydrophobicContact CG1-CD1 3.43Å; V172-I205 VanDerWaalsContact CG1-CD1 3.43Å; V172-I205 HydrophobicContact CG1-CG1 4.16Å
173	P	91	Very high	90.1	Very high	12 Å²	12	58.8 Å²	58.8	8%	0.078	30%	0.297	C	S	.	.			trans	-71.9	125.7	179.3	30.7	-36.9	0	0	0	110.6	Q195 V197 C202 P204 I205	P173-Q195 HydrophobicContact CB-CB 4.31Å; P173-Q195 HydrophobicContact CG-CB 4.23Å; P173-V197 HydrophobicContact CG-CG2 4.25Å; P173-C202 VanDerWaalsContact CD-SG 3.52Å; P173-C202 VanDerWaalsContact CG-SG 3.52Å; P173-P204 HydrophobicContact CB-CB 4.26Å; P173-P204 CarbonylContact O-C 3.6Å; P173-P204 WeakPolarHBondContact O-CA 3.47Å; P173-I205 PolarHBondContact O-N 3.19Å
174	V	92.4	Very high	90.1	Very high	45 Å²	45	57.2 Å²	57.2	27%	0.273	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	135.7	-179.8	179.7	0	0	0	0	109.3	F165 V172 I205 I207	F165-V174 HydrophobicContact CB-CG2 3.87Å; F165-V174 HydrophobicContact CD1-CG2 3.65Å; F165-V174 HydrophobicContact CD2-CG1 4.26Å; F165-V174 HydrophobicContact CD2-CG2 4.11Å; F165-V174 HydrophobicContact CE1-CG2 4.17Å; F165-V174 HydrophobicContact CG-CG1 4.49Å; F165-V174 HydrophobicContact CG-CG2 3.63Å; V172-V174 PolarHBondContact O-N 3.42Å; V174-I205 HydrophobicContact CG2-CB 4.4Å; V174-I207 HydrophobicContact CG1-CD1 3.38Å; V174-I207 HydrophobicContact CG1-CG1 3.91Å
175	L	92.4	Very high	89.9	Confident	20 Å²	20	61.8 Å²	61.8	11%	0.105	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	112.6	176.3	-177.9	67.8	0	0	0	109.5	Y177 M187 K190 F191 P204 I205 I206 I207	L175-Y177 PolarHBondContact O-N 3.09Å; L175-M187 HydrophobicContact CD1-CG 4.46Å; L175-M187 HydrophobicContact CD2-CB 4.46Å; L175-K190 HydrophobicContact CD1-CD 4.18Å; L175-K190 HydrophobicContact CD2-CB 3.98Å; L175-F191 HydrophobicContact CD2-CD2 3.72Å; L175-F191 HydrophobicContact CD2-CE2 3.66Å; L175-P204 HydrophobicContact CB-CB 4.18Å; L175-I205 PolarHBondContact N-O 3.02Å; L175-I206 HydrophobicContact CB-CD1 4.03Å; L175-I206 HydrophobicContact CD2-CD1 3.92Å; L175-I206 HydrophobicContact CG-CD1 4.47Å; L175-I207 PolarHBondContact O-N 3.18Å
176	I	92.4	Very high	89.7	Confident	19 Å²	19	68.9 Å²	68.9	10%	0.097	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	115	167.9	-42.4	-177.7	0	0	0	108.4	L158 E162 H178 I207	L158-I176 HydrophobicContact CB-CG2 4.31Å; L158-I176 HydrophobicContact CD1-CG2 4.4Å; E162-I176 HydrophobicContact CB-CD1 3.59Å; E162-I176 HydrophobicContact CB-CG1 4.2Å; E162-I176 HydrophobicContact CG-CD1 3.68Å; E162-I176 HydrophobicContact CG-CG1 4.06Å; I176-H178 HydrophobicContact CG2-CB 4.46Å; I176-H178 WeakPolarHBondContact CG2-CD2 3.48Å; I176-H178 PolarHBondContact O-N 3.23Å; I176-I207 CarbonylContact C-O 3.59Å; I176-I207 WeakPolarHBondContact CA-O 3.42Å
177	Y	91.6	Very high	89.5	Confident	1 Å²	1	64.6 Å²	64.6	0%	0.004	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	87.5	177.9	-167.9	-111.6	0	0	0	110.7	L175 R184 M187 F191 I207 V212 E216 L219 F220	L175-Y177 PolarHBondContact O-N 3.09Å; Y177-R184 HydrophobicContact CE1-CG 4.38Å; Y177-R184 HydrophobicContact CE2-CB 3.96Å; Y177-R184 HydrophobicContact CE2-CG 4.14Å; Y177-R184 WeakPolarHBondContact CE2-O 3.49Å; Y177-R184 PolarHBondContact OH-O 2.98Å; Y177-M187 HydrophobicContact CD2-CB 3.8Å; Y177-M187 HydrophobicContact CD2-SD 4.23Å; Y177-M187 HydrophobicContact CE2-CB 3.86Å; Y177-F191 HydrophobicContact CD1-CZ 4.07Å; Y177-F191 AromaticContact CD2-CE2 3.46Å; Y177-F191 HydrophobicContact CD2-CE2 3.46Å; Y177-F191 VanDerWaalsContact CD2-CE2 3.46Å; Y177-F191 AromaticContact CD2-CZ 3.61Å; Y177-F191 HydrophobicContact CD2-CZ 3.61Å; Y177-F191 HydrophobicContact CE1-CZ 4.35Å; Y177-F191 AromaticContact CE2-CE2 3.74Å; Y177-F191 HydrophobicContact CE2-CE2 3.74Å; Y177-F191 AromaticContact CE2-CZ 3.9Å; Y177-F191 HydrophobicContact CE2-CZ 3.9Å; Y177-F191 AromaticContact CG-CE2 3.98Å; Y177-F191 HydrophobicContact CG-CE2 3.98Å; Y177-F191 AromaticContact CG-CZ 3.67Å; Y177-F191 HydrophobicContact CG-CZ 3.67Å; Y177-I207 PolarHBondContact N-O 3.36Å; Y177-V212 HydrophobicContact CD1-CG1 3.49Å; Y177-V212 VanDerWaalsContact CD1-CG1 3.49Å; Y177-V212 HydrophobicContact CE1-CG1 3.62Å; Y177-E216 PolarHBondContact OH-OE1 3.02Å; Y177-E216 PolarHBondContact OH-OE2 2.75Å; Y177-L219 HydrophobicContact CE1-CD2 4.47Å; Y177-F220 HydrophobicContact CD1-CE2 4.28Å; Y177-F220 HydrophobicContact CD1-CZ 4.12Å; Y177-F220 HydrophobicContact CE1-CE2 4.22Å; Y177-F220 HydrophobicContact CE1-CZ 4.49Å
178	H	86.3	Confident	89.3	Confident	56 Å²	56	61.5 Å²	61.5	26%	0.259	31%	0.305	S	S	.	.			trans	-145	-172.4	177.2	74.3	113.8	0	0	0	110.4	L158 I176 R184 M187	L158-H178 HydrophobicContact CD1-CB 4.34Å; I176-H178 HydrophobicContact CG2-CB 4.46Å; I176-H178 WeakPolarHBondContact CG2-CD2 3.48Å; I176-H178 PolarHBondContact O-N 3.23Å; H178-R184 WeakPolarHBondContact O-CG 2.98Å; H178-M187 WeakPolarHBondContact O-CE 3.26Å
179	G	84.6	Confident	88.9	Confident	32 Å²	32	67.7 Å²	67.7	33%	0.33	34%	0.335	S	S	.	.	S	Bend	trans	95.3	-167.2	176.3	0	0	0	0	0	114.2	E183 R184	G179-E183 WeakPolarHBondContact CA-OE2 3.46Å; G179-R184 PolarHBondContact O-NH1 3.44Å
180	T	86.7	Confident	88.6	Confident	80 Å²	80	72.7 Å²	72.7	49%	0.491	36%	0.356	S	S	.	.			trans	-70.1	163.2	-176.8	65.4	0	0	0	0	111.7	D182 E183 R184	T180-D182 PolarHBondContact O-N 3.19Å; T180-E183 PolarHBondContact N-OE2 3.47Å; T180-E183 PolarHBondContact O-N 3.43Å; T180-E183 VanDerWaalsContact OG1-CD 3.27Å; T180-E183 VanDerWaalsContact OG1-CG 3.31Å; T180-E183 WeakPolarHBondContact OG1-CG 3.32Å; T180-E183 PolarHBondContact OG1-N 3.43Å; T180-E183 PolarHBondContact OG1-OE2 3.16Å; T180-E183 VanDerWaalsContact OG1-OE2 3.13Å; T180-R184 WeakPolarHBondContact O-CB 3.48Å; T180-R184 WeakPolarHBondContact O-CG 3.28Å; T180-R184 PolarHBondContact O-N 3.29Å
181	K	86.6	Confident	88.3	Confident	144 Å²	144	69.5 Å²	69.5	63%	0.626	33%	0.334	S	S	*	.	H	α-helix	trans	-56.7	-35.7	-178.9	-170.4	177.6	-178.6	179.3	0	112.5	K185	K181-K185 WeakPolarHBondContact O-CG 3.5Å; K181-K185 PolarHBondContact O-N 3.24Å; K181-K185 VanDerWaalsContact O-N 3.1Å
182	D	88.4	Confident	87.9	Confident	93 Å²	93	68.7 Å²	68.7	50%	0.497	34%	0.337	S	S	.	.	H	α-helix	trans	-79.5	-35.2	-178.3	-63.4	-40	0	0	0	112.8	T180 R184 K185 K186	T180-D182 PolarHBondContact O-N 3.19Å; D182-R184 VanDerWaalsContact C-N 3.32Å; D182-K185 PolarHBondContact O-N 3.09Å; D182-K185 IonicContact OD1-NZ 2.69Å; D182-K185 PolarHBondContact OD1-NZ 2.91Å; D182-K186 PolarHBondContact O-N 2.94Å
183	E	89.3	Confident	87.6	Confident	92 Å²	92	72.5 Å²	72.5	43%	0.43	35%	0.354	S	S	.	.	H	α-helix	trans	-61	-44.7	169.2	-70.7	166.5	166.8	0	0	110.7	G179 T180 K185 K186 M187	G179-E183 WeakPolarHBondContact CA-OE2 3.46Å; T180-E183 PolarHBondContact N-OE2 3.47Å; T180-E183 PolarHBondContact O-N 3.43Å; T180-E183 VanDerWaalsContact OG1-CD 3.27Å; T180-E183 VanDerWaalsContact OG1-CG 3.31Å; T180-E183 WeakPolarHBondContact OG1-CG 3.32Å; T180-E183 PolarHBondContact OG1-N 3.43Å; T180-E183 PolarHBondContact OG1-OE2 3.16Å; T180-E183 VanDerWaalsContact OG1-OE2 3.13Å; E183-K185 VanDerWaalsContact C-N 3.35Å; E183-K185 PolarHBondContact O-N 3.34Å; E183-K186 WeakPolarHBondContact O-CB 3.39Å; E183-K186 PolarHBondContact O-N 3.28Å; E183-K186 VanDerWaalsContact O-N 3.13Å; E183-M187 HydrophobicContact CB-CE 3.7Å; E183-M187 WeakPolarHBondContact O-CG 3.44Å; E183-M187 PolarHBondContact O-N 3.29Å
184	R	89.4	Confident	87.3	Confident	33 Å²	33	75.7 Å²	75.7	13%	0.125	37%	0.37	C	S	.	.	H	α-helix	trans	-62.6	-36.8	177.5	-73.1	-162.1	-51.7	-112.4	10.2	113.2	Y177 H178 G179 T180 D182 K186 M187 K188 E216	Y177-R184 HydrophobicContact CE1-CG 4.38Å; Y177-R184 HydrophobicContact CE2-CB 3.96Å; Y177-R184 HydrophobicContact CE2-CG 4.14Å; Y177-R184 WeakPolarHBondContact CE2-O 3.49Å; Y177-R184 PolarHBondContact OH-O 2.98Å; H178-R184 WeakPolarHBondContact O-CG 2.98Å; G179-R184 PolarHBondContact O-NH1 3.44Å; T180-R184 WeakPolarHBondContact O-CB 3.48Å; T180-R184 WeakPolarHBondContact O-CG 3.28Å; T180-R184 PolarHBondContact O-N 3.29Å; D182-R184 VanDerWaalsContact C-N 3.32Å; R184-K186 PolarHBondContact O-N 3.38Å; R184-M187 PolarHBondContact O-N 3.36Å; R184-K188 WeakPolarHBondContact O-CB 3.26Å; R184-K188 PolarHBondContact O-N 3.42Å; R184-E216 IonicContact CZ-OE1 2.76Å; R184-E216 IonicContact NE-OE1 2.65Å; R184-E216 PolarHBondContact NE-OE1 2.84Å; R184-E216 IonicContact NH2-OE1 3.92Å
185	K	88	Confident	86.9	Confident	117 Å²	117	77.8 Å²	77.8	51%	0.509	38%	0.377	S	S	.	.	H	α-helix	trans	-60.9	-42.6	172.3	-74.7	172.3	-168.8	158.7	0	112.1	K181 D182 E183	K181-K185 WeakPolarHBondContact O-CG 3.5Å; K181-K185 PolarHBondContact O-N 3.24Å; K181-K185 VanDerWaalsContact O-N 3.1Å; D182-K185 PolarHBondContact O-N 3.09Å; D182-K185 IonicContact OD1-NZ 2.69Å; D182-K185 PolarHBondContact OD1-NZ 2.91Å; E183-K185 VanDerWaalsContact C-N 3.35Å; E183-K185 PolarHBondContact O-N 3.34Å
186	K	88.7	Confident	86.5	Confident	155 Å²	155	86.4 Å²	86.4	67%	0.674	41%	0.408	S	S	*	.	H	α-helix	trans	-66.4	-43.1	177.2	-65.8	177.4	-176.1	178	0	111.1	D182 E183 R184 K188 Q189	D182-K186 PolarHBondContact O-N 2.94Å; E183-K186 WeakPolarHBondContact O-CB 3.39Å; E183-K186 PolarHBondContact O-N 3.28Å; E183-K186 VanDerWaalsContact O-N 3.13Å; R184-K186 PolarHBondContact O-N 3.38Å; K186-K188 VanDerWaalsContact C-N 3.34Å; K186-K188 PolarHBondContact O-N 3.37Å; K186-Q189 PolarHBondContact O-N 3.01Å
187	M	89.4	Confident	85.8	Confident	34 Å²	34	85.5 Å²	85.5	17%	0.167	40%	0.404	C	S	.	.	H	α-helix	trans	-65.5	-34.7	178.5	-69.5	-175.9	-123.6	0	0	113.1	L175 Y177 H178 E183 R184 Q189 K190	L175-M187 HydrophobicContact CD1-CG 4.46Å; L175-M187 HydrophobicContact CD2-CB 4.46Å; Y177-M187 HydrophobicContact CD2-CB 3.8Å; Y177-M187 HydrophobicContact CD2-SD 4.23Å; Y177-M187 HydrophobicContact CE2-CB 3.86Å; H178-M187 WeakPolarHBondContact O-CE 3.26Å; E183-M187 HydrophobicContact CB-CE 3.7Å; E183-M187 WeakPolarHBondContact O-CG 3.44Å; E183-M187 PolarHBondContact O-N 3.29Å; R184-M187 PolarHBondContact O-N 3.36Å; M187-Q189 PolarHBondContact O-N 3.25Å; M187-Q189 VanDerWaalsContact O-N 3.16Å; M187-K190 WeakPolarHBondContact O-CB 3.36Å; M187-K190 PolarHBondContact O-N 3.18Å
188	K	86.3	Confident	85.3	Confident	102 Å²	102	88.2 Å²	88.2	44%	0.443	43%	0.432	S	S	.	.	H	α-helix	trans	-55.3	-33.7	178.7	-178.9	175.6	172.1	169.4	0	112.9	R184 K186 K190 F191 L219	R184-K188 WeakPolarHBondContact O-CB 3.26Å; R184-K188 PolarHBondContact O-N 3.42Å; K186-K188 VanDerWaalsContact C-N 3.34Å; K186-K188 PolarHBondContact O-N 3.37Å; K188-K190 PolarHBondContact O-N 3.27Å; K188-F191 PolarHBondContact O-N 3.45Å; K188-L219 HydrophobicContact CD-CD1 4.07Å; K188-L219 HydrophobicContact CD-CD2 4.04Å; K188-L219 VanDerWaalsContact CE-CD1 3.46Å; K188-L219 HydrophobicContact CG-CD1 4.29Å; K188-L219 HydrophobicContact CG-CD2 4.16Å
189	Q	83	Confident	84.9	Confident	152 Å²	152	90.1 Å²	90.1	71%	0.71	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.2	177	-63.3	178.8	-9.2	0	0	112.9	K186 M187 Q193	K186-Q189 PolarHBondContact O-N 3.01Å; M187-Q189 PolarHBondContact O-N 3.25Å; M187-Q189 VanDerWaalsContact O-N 3.16Å; Q189-Q193 PolarHBondContact O-NE2 3.44Å
190	K	85.6	Confident	84.9	Confident	105 Å²	105	91.6 Å²	91.6	46%	0.457	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-15.5	-179.8	-59.7	-176.2	178	-177.5	0	113.8	L175 M187 K188 N192 Q193 P204	L175-K190 HydrophobicContact CD1-CD 4.18Å; L175-K190 HydrophobicContact CD2-CB 3.98Å; M187-K190 WeakPolarHBondContact O-CB 3.36Å; M187-K190 PolarHBondContact O-N 3.18Å; K188-K190 PolarHBondContact O-N 3.27Å; K190-N192 VanDerWaalsContact C-N 3.27Å; K190-N192 PolarHBondContact O-N 3.38Å; K190-Q193 WeakPolarHBondContact O-CB 3.48Å; K190-Q193 PolarHBondContact O-N 3.38Å; K190-Q193 VanDerWaalsContact O-N 3.15Å; K190-P204 WeakPolarHBondContact O-CG 3.49Å
191	F	84.1	Confident	84.9	Confident	12 Å²	12	92.6 Å²	92.6	5%	0.053	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-39.6	-175.7	-83.4	-133.3	0	0	0	112.1	L175 Y177 K188 Q193 I206 L219 I223 W225	L175-F191 HydrophobicContact CD2-CD2 3.72Å; L175-F191 HydrophobicContact CD2-CE2 3.66Å; Y177-F191 HydrophobicContact CD1-CZ 4.07Å; Y177-F191 AromaticContact CD2-CE2 3.46Å; Y177-F191 HydrophobicContact CD2-CE2 3.46Å; Y177-F191 VanDerWaalsContact CD2-CE2 3.46Å; Y177-F191 AromaticContact CD2-CZ 3.61Å; Y177-F191 HydrophobicContact CD2-CZ 3.61Å; Y177-F191 HydrophobicContact CE1-CZ 4.35Å; Y177-F191 AromaticContact CE2-CE2 3.74Å; Y177-F191 HydrophobicContact CE2-CE2 3.74Å; Y177-F191 AromaticContact CE2-CZ 3.9Å; Y177-F191 HydrophobicContact CE2-CZ 3.9Å; Y177-F191 AromaticContact CG-CE2 3.98Å; Y177-F191 HydrophobicContact CG-CE2 3.98Å; Y177-F191 AromaticContact CG-CZ 3.67Å; Y177-F191 HydrophobicContact CG-CZ 3.67Å; K188-F191 PolarHBondContact O-N 3.45Å; F191-Q193 VanDerWaalsContact C-N 3.33Å; F191-Q193 PolarHBondContact O-N 3.23Å; F191-I206 HydrophobicContact CD1-CD1 4.12Å; F191-I206 HydrophobicContact CD1-CG1 4.12Å; F191-I206 HydrophobicContact CD2-CD1 3.95Å; F191-I206 HydrophobicContact CE1-CD1 4.11Å; F191-I206 HydrophobicContact CE1-CG1 3.95Å; F191-I206 HydrophobicContact CE1-CG2 3.92Å; F191-I206 HydrophobicContact CE2-CD1 3.93Å; F191-I206 HydrophobicContact CE2-CG2 4.46Å; F191-I206 HydrophobicContact CG-CD1 4.05Å; F191-I206 HydrophobicContact CZ-CD1 4.02Å; F191-I206 HydrophobicContact CZ-CG1 4.2Å; F191-I206 HydrophobicContact CZ-CG2 3.67Å; F191-L219 HydrophobicContact CE1-CD2 4.33Å; F191-I223 HydrophobicContact CD1-CD1 3.81Å; F191-I223 HydrophobicContact CE1-CD1 4.34Å; F191-W225 HydrophobicContact CE1-CH2 4.34Å
192	N	80.2	Confident	85	Confident	129 Å²	129	85.7 Å²	85.7	69%	0.69	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	9.6	-176	-60.9	-13.1	0	0	0	113	K190 L194	K190-N192 VanDerWaalsContact C-N 3.27Å; K190-N192 PolarHBondContact O-N 3.38Å; N192-L194 PolarHBondContact O-N 3.05Å
193	Q	82.9	Confident	85.1	Confident	89 Å²	89	84.8 Å²	84.8	42%	0.416	41%	0.407	S	S	.	.			trans	-85.5	102.4	-179.5	-66.8	179.9	2	0	0	109.7	Q189 K190 F191 Q195 P204	Q189-Q193 PolarHBondContact O-NE2 3.44Å; K190-Q193 WeakPolarHBondContact O-CB 3.48Å; K190-Q193 PolarHBondContact O-N 3.38Å; K190-Q193 VanDerWaalsContact O-N 3.15Å; F191-Q193 VanDerWaalsContact C-N 3.33Å; F191-Q193 PolarHBondContact O-N 3.23Å; Q193-Q195 PolarHBondContact O-N 2.93Å; Q193-P204 VanDerWaalsContact O-CD 3.3Å; Q193-P204 WeakPolarHBondContact O-CD 3.38Å
194	L	85	Confident	85.2	Confident	80 Å²	80	80.7 Å²	80.7	42%	0.419	39%	0.389	S	S	.	.			trans	-70.3	122.6	174.3	-168.3	72.6	0	0	0	109.9	N192 K201 Y203	N192-L194 PolarHBondContact O-N 3.05Å; L194-K201 HydrophobicContact CD1-CB 4.02Å; L194-K201 HydrophobicContact CD2-CB 3.86Å; L194-K201 HydrophobicContact CD2-CD 3.51Å; L194-K201 HydrophobicContact CD2-CG 4.3Å; L194-K201 HydrophobicContact CG-CB 3.84Å; L194-K201 HydrophobicContact CG-CD 4.2Å; L194-Y203 HydrophobicContact CB-CE1 4.25Å; L194-Y203 HydrophobicContact CD1-CD1 4.28Å; L194-Y203 HydrophobicContact CD1-CD2 4.29Å; L194-Y203 HydrophobicContact CD1-CE1 4.2Å; L194-Y203 HydrophobicContact CD1-CE2 4.24Å; L194-Y203 HydrophobicContact CD1-CG 4.32Å
195	Q	83.8	Confident	85.4	Confident	88 Å²	88	79.1 Å²	79.1	41%	0.411	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	150.2	-179.3	-60.2	-171.7	4.3	0	0	110.7	P173 Q193 K201 C202	P173-Q195 HydrophobicContact CB-CB 4.31Å; P173-Q195 HydrophobicContact CG-CB 4.23Å; Q193-Q195 PolarHBondContact O-N 2.93Å; Q195-K201 CarbonylContact O-C 3.48Å; Q195-K201 VanDerWaalsContact O-CA 3.3Å; Q195-K201 WeakPolarHBondContact O-CA 3.48Å; Q195-C202 PolarHBondContact N-O 2.96Å; Q195-C202 PolarHBondContact O-N 3.17Å
196	R	83.5	Confident	85.7	Confident	201 Å²	201	73.7 Å²	73.7	76%	0.758	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	130.5	177.3	-79.6	-177.9	168.9	169	-1.5	110.4	E200 K201	R196-E200 CarbonylContact C-O 3.6Å; R196-E200 WeakPolarHBondContact CA-O 3.33Å; R196-K201 HydrophobicContact CG-CG 4.08Å
197	V	79.6	Confident	86	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.006	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	89.2	173.3	-176.8	0	0	0	0	107.9	Y93 I141 K171 V172 P173 S199 E200 C202	Y93-V197 HydrophobicContact CD1-CG1 3.82Å; Y93-V197 HydrophobicContact CD2-CG1 4.21Å; Y93-V197 HydrophobicContact CE1-CG1 4.08Å; Y93-V197 HydrophobicContact CE2-CG1 4.44Å; Y93-V197 HydrophobicContact CG-CG1 3.89Å; Y93-V197 PolarHBondContact OH-O 2.9Å; I141-V197 HydrophobicContact CG2-CB 4.48Å; I141-V197 HydrophobicContact CG2-CG1 4.45Å; K171-V197 HydrophobicContact CB-CG1 4.29Å; V172-V197 HydrophobicContact CG2-CG1 4.34Å; P173-V197 HydrophobicContact CG-CG2 4.25Å; V197-S199 PolarHBondContact O-N 3.05Å; V197-E200 PolarHBondContact N-O 3.37Å; V197-E200 PolarHBondContact O-N 2.9Å; V197-C202 WeakPolarHBondContact CG2-SG 3.49Å
198	G	79.6	Confident	86.2	Confident	58 Å²	58	64.7 Å²	64.7	60%	0.598	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	-122.2	-171.8	0	0	0	0	0	112.1
199	S	79.5	Confident	86.5	Confident	96 Å²	96	60.5 Å²	60.5	67%	0.671	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-27.5	174.7	53.5	0	0	0	0	112.9	V197	V197-S199 PolarHBondContact O-N 3.05Å
200	E	84.6	Confident	86.8	Confident	62 Å²	62	53.4 Å²	53.4	29%	0.29	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	170.1	-172.2	-57	-47.7	127.5	0	0	112.2	I141 R196 V197	I141-E200 HydrophobicContact CG2-CB 4.38Å; R196-E200 CarbonylContact C-O 3.6Å; R196-E200 WeakPolarHBondContact CA-O 3.33Å; V197-E200 PolarHBondContact N-O 3.37Å; V197-E200 PolarHBondContact O-N 2.9Å
201	K	85.5	Confident	86.9	Confident	101 Å²	101	52.2 Å²	52.2	44%	0.439	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	140.7	172.5	-63.1	-175.9	-171.9	173	0	109.1	V146 L194 Q195 R196	V146-K201 WeakPolarHBondContact CG1-O 3.33Å; L194-K201 HydrophobicContact CD1-CB 4.02Å; L194-K201 HydrophobicContact CD2-CB 3.86Å; L194-K201 HydrophobicContact CD2-CD 3.51Å; L194-K201 HydrophobicContact CD2-CG 4.3Å; L194-K201 HydrophobicContact CG-CB 3.84Å; L194-K201 HydrophobicContact CG-CD 4.2Å; Q195-K201 CarbonylContact O-C 3.48Å; Q195-K201 VanDerWaalsContact O-CA 3.3Å; Q195-K201 WeakPolarHBondContact O-CA 3.48Å; R196-K201 HydrophobicContact CG-CG 4.08Å
202	C	88.6	Confident	87.2	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	155.4	171.3	67.8	0	0	0	0	111.9	I141 V146 P173 Q195 V197	I141-C202 HydrophobicContact CD1-CB 4.47Å; I141-C202 HydrophobicContact CG1-CB 4.3Å; V146-C202 CarbonylContact O-C 3.48Å; V146-C202 WeakPolarHBondContact O-CA 3.21Å; V146-C202 WeakPolarHBondContact O-CB 3.31Å; P173-C202 VanDerWaalsContact CD-SG 3.52Å; P173-C202 VanDerWaalsContact CG-SG 3.52Å; Q195-C202 PolarHBondContact N-O 2.96Å; Q195-C202 PolarHBondContact O-N 3.17Å; V197-C202 WeakPolarHBondContact CG2-SG 3.49Å
203	Y	90.5	Very high	87.7	Confident	74 Å²	74	45.8 Å²	45.8	29%	0.29	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-72.2	153.3	167.5	-70	-69.4	0	0	0	110	V146 L194 I205	V146-Y203 HydrophobicContact CG2-CD2 4.42Å; V146-Y203 HydrophobicContact CG2-CE2 4.28Å; V146-Y203 PolarHBondContact O-N 3.07Å; L194-Y203 HydrophobicContact CB-CE1 4.25Å; L194-Y203 HydrophobicContact CD1-CD1 4.28Å; L194-Y203 HydrophobicContact CD1-CD2 4.29Å; L194-Y203 HydrophobicContact CD1-CE1 4.2Å; L194-Y203 HydrophobicContact CD1-CE2 4.24Å; L194-Y203 HydrophobicContact CD1-CG 4.32Å; Y203-I205 PolarHBondContact O-N 2.93Å
204	P	91	Very high	88	Confident	6 Å²	6	44.6 Å²	44.6	4%	0.039	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-59.2	133.5	174.3	24.8	-33.8	0	0	0	110.6	P173 L175 K190 Q193 I206	P173-P204 HydrophobicContact CB-CB 4.26Å; P173-P204 CarbonylContact O-C 3.6Å; P173-P204 WeakPolarHBondContact O-CA 3.47Å; L175-P204 HydrophobicContact CB-CB 4.18Å; K190-P204 WeakPolarHBondContact O-CG 3.49Å; Q193-P204 VanDerWaalsContact O-CD 3.3Å; Q193-P204 WeakPolarHBondContact O-CD 3.38Å; P204-I206 HydrophobicContact CB-CD1 4.42Å; P204-I206 HydrophobicContact CG-CD1 4.22Å; P204-I206 WeakPolarHBondContact O-CD1 3.32Å; P204-I206 PolarHBondContact O-N 2.99Å
205	I	94	Very high	88.2	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	121.1	170.6	-60.8	172.9	0	0	0	107.5	L137 F149 I151 F165 V172 P173 V174 L175 Y203 I207	L137-I205 HydrophobicContact CB-CD1 4.48Å; L137-I205 HydrophobicContact CD1-CD1 4Å; F149-I205 HydrophobicContact CB-CG1 4.27Å; F149-I205 HydrophobicContact CB-CG2 4.38Å; F149-I205 HydrophobicContact CD2-CG1 4.13Å; I151-I205 HydrophobicContact CD1-CG2 3.79Å; I151-I205 HydrophobicContact CG1-CG2 4.27Å; F165-I205 HydrophobicContact CE1-CD1 3.62Å; F165-I205 HydrophobicContact CZ-CD1 3.89Å; F165-I205 HydrophobicContact CZ-CG2 4.18Å; V172-I205 HydrophobicContact CG1-CD1 3.43Å; V172-I205 VanDerWaalsContact CG1-CD1 3.43Å; V172-I205 HydrophobicContact CG1-CG1 4.16Å; P173-I205 PolarHBondContact O-N 3.19Å; V174-I205 HydrophobicContact CG2-CB 4.4Å; L175-I205 PolarHBondContact N-O 3.02Å; Y203-I205 PolarHBondContact O-N 2.93Å; I205-I207 HydrophobicContact CG2-CG1 4.38Å
206	I	94.7	Very high	88.5	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.015	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	118.7	-177.8	-53.4	-53.9	0	0	0	109	F149 C150 I151 L175 F191 P204 W225	F149-I206 PolarHBondContact O-N 3.37Å; C150-I206 WeakPolarHBondContact CA-O 3.42Å; I151-I206 PolarHBondContact N-O 3.25Å; L175-I206 HydrophobicContact CB-CD1 4.03Å; L175-I206 HydrophobicContact CD2-CD1 3.92Å; L175-I206 HydrophobicContact CG-CD1 4.47Å; F191-I206 HydrophobicContact CD1-CD1 4.12Å; F191-I206 HydrophobicContact CD1-CG1 4.12Å; F191-I206 HydrophobicContact CD2-CD1 3.95Å; F191-I206 HydrophobicContact CE1-CD1 4.11Å; F191-I206 HydrophobicContact CE1-CG1 3.95Å; F191-I206 HydrophobicContact CE1-CG2 3.92Å; F191-I206 HydrophobicContact CE2-CD1 3.93Å; F191-I206 HydrophobicContact CE2-CG2 4.46Å; F191-I206 HydrophobicContact CG-CD1 4.05Å; F191-I206 HydrophobicContact CZ-CD1 4.02Å; F191-I206 HydrophobicContact CZ-CG1 4.2Å; F191-I206 HydrophobicContact CZ-CG2 3.67Å; P204-I206 HydrophobicContact CB-CD1 4.42Å; P204-I206 HydrophobicContact CG-CD1 4.22Å; P204-I206 WeakPolarHBondContact O-CD1 3.32Å; P204-I206 PolarHBondContact O-N 2.99Å; I206-W225 HydrophobicContact CB-CH2 4.23Å; I206-W225 HydrophobicContact CB-CZ3 4.3Å; I206-W225 HydrophobicContact CG1-CH2 3.96Å; I206-W225 HydrophobicContact CG1-CZ3 4.01Å
207	I	94.9	Very high	88.8	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	123.3	175.9	-49	-177.9	0	0	0	108.5	I151 L158 W161 F165 V174 L175 I176 Y177 I205	I151-I207 HydrophobicContact CB-CG1 4.37Å; I151-I207 HydrophobicContact CB-CG2 4.44Å; I151-I207 HydrophobicContact CD1-CG1 4.38Å; I151-I207 HydrophobicContact CG2-CG2 4.4Å; I151-I207 WeakPolarHBondContact O-CA 3.48Å; L158-I207 HydrophobicContact CD2-CG2 3.74Å; W161-I207 HydrophobicContact CB-CD1 4.07Å; W161-I207 HydrophobicContact CB-CG2 4.32Å; F165-I207 HydrophobicContact CD2-CD1 3.66Å; F165-I207 HydrophobicContact CE2-CD1 3.6Å; V174-I207 HydrophobicContact CG1-CD1 3.38Å; V174-I207 HydrophobicContact CG1-CG1 3.91Å; L175-I207 PolarHBondContact O-N 3.18Å; I176-I207 CarbonylContact C-O 3.59Å; I176-I207 WeakPolarHBondContact CA-O 3.42Å; Y177-I207 PolarHBondContact N-O 3.36Å; I205-I207 HydrophobicContact CG2-CG1 4.38Å
208	C	93.7	Very high	89.3	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	165.5	-177.7	63.9	0	0	0	0	111.8	I151 V152 A153 V213 F220	I151-C208 PolarHBondContact O-N 3.24Å; V152-C208 CarbonylContact C-O 3.58Å; V152-C208 VanDerWaalsContact CA-O 3.31Å; V152-C208 WeakPolarHBondContact CA-O 3.42Å; A153-C208 PolarHBondContact N-O 3.33Å; C208-V213 WeakPolarHBondContact SG-CG2 3.26Å; C208-F220 HydrophobicContact CB-CZ 4.34Å
209	N	91.6	Very high	89.8	Confident	14 Å²	14	41.4 Å²	41.4	8%	0.075	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	155.9	170.7	63.9	-47.8	0	0	0	112.8	A153 L158 E211 V212 V213	A153-N209 WeakPolarHBondContact O-CA 3.3Å; L158-N209 HydrophobicContact CD1-CB 4.19Å; N209-E211 PolarHBondContact ND2-OE2 3.17Å; N209-E211 PolarHBondContact O-N 3.04Å; N209-E211 VanDerWaalsContact O-N 3.11Å; N209-V212 PolarHBondContact O-N 2.99Å; N209-V212 WeakPolarHBondContact OD1-CB 3.26Å; N209-V212 WeakPolarHBondContact OD1-CG2 3.46Å; N209-V213 PolarHBondContact O-N 3.34Å
210	Y	89.7	Confident	90.4	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.008	19%	0.186	C	C	.	.	H	α-helix	trans	-49.8	-39.4	-179.4	-72.4	-89.4	0	0	0	113.3	V152 V213 M214 D231 R235 I236 T243 M247	V152-Y210 HydrophobicContact CG1-CD1 3.71Å; V152-Y210 HydrophobicContact CG1-CD2 3.88Å; V152-Y210 HydrophobicContact CG1-CE1 3.86Å; V152-Y210 HydrophobicContact CG1-CE2 4.02Å; V152-Y210 HydrophobicContact CG1-CG 3.73Å; Y210-V213 PolarHBondContact O-N 3.42Å; Y210-M214 WeakPolarHBondContact O-CG 3.39Å; Y210-M214 PolarHBondContact O-N 3.1Å; Y210-D231 PolarHBondContact OH-O 3.34Å; Y210-R235 HydrophobicContact CE1-CB 4.21Å; Y210-R235 HydrophobicContact CE2-CB 4.39Å; Y210-R235 HydrophobicContact CE2-CG 4.45Å; Y210-I236 HydrophobicContact CE1-CG2 4.42Å; Y210-T243 HydrophobicContact CD1-CG2 3.57Å; Y210-T243 HydrophobicContact CE1-CG2 4.26Å; Y210-T243 HydrophobicContact CG-CG2 4.46Å; Y210-M247 HydrophobicContact CD1-CE 3.81Å; Y210-M247 HydrophobicContact CE1-CE 4.35Å
211	E	88.6	Confident	90.8	Very high	80 Å²	80	37.9 Å²	37.9	37%	0.374	19%	0.189	S	C	.	.	H	α-helix	trans	-71.9	-32	-177.1	-57.6	76.7	-168.4	0	0	112.6	N209 M214 T215 R235	N209-E211 PolarHBondContact ND2-OE2 3.17Å; N209-E211 PolarHBondContact O-N 3.04Å; N209-E211 VanDerWaalsContact O-N 3.11Å; E211-M214 PolarHBondContact O-N 2.99Å; E211-T215 PolarHBondContact O-N 2.98Å; E211-T215 PolarHBondContact O-OG1 2.92Å; E211-R235 IonicContact OE1-CZ 2.73Å; E211-R235 IonicContact OE1-NH1 3.24Å; E211-R235 PolarHBondContact OE1-NH1 2.92Å; E211-R235 IonicContact OE2-NH1 2.78Å
212	V	90.5	Very high	91	Very high	7 Å²	7	37.5 Å²	37.5	4%	0.042	20%	0.199	C	C	.	.	H	α-helix	trans	-69.3	-41.4	174.9	166.6	0	0	0	0	110.6	Y177 N209 M214 T215 E216	Y177-V212 HydrophobicContact CD1-CG1 3.49Å; Y177-V212 VanDerWaalsContact CD1-CG1 3.49Å; Y177-V212 HydrophobicContact CE1-CG1 3.62Å; N209-V212 PolarHBondContact O-N 2.99Å; N209-V212 WeakPolarHBondContact OD1-CB 3.26Å; N209-V212 WeakPolarHBondContact OD1-CG2 3.46Å; V212-M214 VanDerWaalsContact C-N 3.26Å; V212-M214 PolarHBondContact O-N 3.32Å; V212-T215 PolarHBondContact O-N 3.27Å; V212-E216 PolarHBondContact O-N 3.33Å
213	V	90.9	Very high	91.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.9	-39.5	174.9	-176.1	0	0	0	0	111	V152 C208 N209 Y210 E216 K217 F220 L246 M247 L250	V152-V213 HydrophobicContact CG1-CG2 4.25Å; V152-V213 HydrophobicContact CG2-CG2 4.15Å; C208-V213 WeakPolarHBondContact SG-CG2 3.26Å; N209-V213 PolarHBondContact O-N 3.34Å; Y210-V213 PolarHBondContact O-N 3.42Å; V213-E216 CarbonylContact O-C 3.54Å; V213-K217 WeakPolarHBondContact O-CA 3.49Å; V213-K217 PolarHBondContact O-N 3.48Å; V213-K217 VanDerWaalsContact O-N 3.15Å; V213-F220 HydrophobicContact CG1-CB 4.41Å; V213-F220 HydrophobicContact CG1-CD2 4.33Å; V213-F220 HydrophobicContact CG1-CG 4.18Å; V213-F220 HydrophobicContact CG2-CE1 4.25Å; V213-F220 HydrophobicContact CG2-CE2 4.29Å; V213-F220 HydrophobicContact CG2-CZ 4.13Å; V213-L246 HydrophobicContact CG1-CD2 4.07Å; V213-M247 HydrophobicContact CB-CE 3.79Å; V213-M247 HydrophobicContact CG1-CE 3.67Å; V213-M247 HydrophobicContact CG1-SD 4.09Å; V213-M247 HydrophobicContact CG2-CE 4.11Å; V213-L250 HydrophobicContact CG1-CD1 4.02Å
214	M	88.2	Confident	91.2	Very high	64 Å²	64	42 Å²	42	32%	0.315	22%	0.223	S	C	.	.	H	α-helix	trans	-62.4	-45.7	174.3	-68.2	-180	-165.6	0	0	113.4	Y210 E211 V212 E216 T243 L246	Y210-M214 WeakPolarHBondContact O-CG 3.39Å; Y210-M214 PolarHBondContact O-N 3.1Å; E211-M214 PolarHBondContact O-N 2.99Å; V212-M214 VanDerWaalsContact C-N 3.26Å; V212-M214 PolarHBondContact O-N 3.32Å; M214-E216 VanDerWaalsContact C-N 3.33Å; M214-T243 HydrophobicContact CE-CG2 3.58Å; M214-T243 WeakPolarHBondContact CE-OG1 3.47Å; M214-L246 HydrophobicContact CB-CD2 4.12Å; M214-L246 HydrophobicContact CG-CD2 3.77Å
215	T	89.5	Confident	91.3	Very high	97 Å²	97	41.8 Å²	41.8	60%	0.595	22%	0.222	S	C	*	.	H	α-helix	trans	-66.5	-39.6	-178.7	-54.4	0	0	0	0	110.9	E211 V212	E211-T215 PolarHBondContact O-N 2.98Å; E211-T215 PolarHBondContact O-OG1 2.92Å; V212-T215 PolarHBondContact O-N 3.27Å
216	E	90.2	Very high	91.3	Very high	32 Å²	32	44.5 Å²	44.5	15%	0.15	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	36.1	-173.5	-58.4	-144.4	-171.7	0	0	113.6	Y177 R184 V212 V213 M214 S218 L219 F220	Y177-E216 PolarHBondContact OH-OE1 3.02Å; Y177-E216 PolarHBondContact OH-OE2 2.75Å; R184-E216 IonicContact CZ-OE1 2.76Å; R184-E216 IonicContact NE-OE1 2.65Å; R184-E216 PolarHBondContact NE-OE1 2.84Å; R184-E216 IonicContact NH2-OE1 3.92Å; V212-E216 PolarHBondContact O-N 3.33Å; V213-E216 CarbonylContact O-C 3.54Å; M214-E216 VanDerWaalsContact C-N 3.33Å; E216-S218 PolarHBondContact O-N 2.73Å; E216-L219 HydrophobicContact CB-CB 4.42Å; E216-L219 WeakPolarHBondContact O-CB 3.42Å; E216-L219 PolarHBondContact O-N 3.38Å; E216-F220 HydrophobicContact CB-CD2 4.31Å; E216-F220 HydrophobicContact CB-CE2 4.35Å; E216-F220 PolarHBondContact O-N 3.32Å
217	K	90.3	Very high	91.2	Very high	125 Å²	125	44.8 Å²	44.8	54%	0.543	23%	0.233	S	C	.	.	H	α-helix	trans	-48.4	-37.9	-177.8	64.8	-175.9	-178.6	-177.2	0	114.7	V213 K221 L246	V213-K217 WeakPolarHBondContact O-CA 3.49Å; V213-K217 PolarHBondContact O-N 3.48Å; V213-K217 VanDerWaalsContact O-N 3.15Å; K217-K221 VanDerWaalsContact O-CB 3.31Å; K217-K221 WeakPolarHBondContact O-CB 3.41Å; K217-K221 WeakPolarHBondContact O-CG 3.37Å; K217-K221 PolarHBondContact O-N 3.46Å; K217-L246 HydrophobicContact CB-CD1 3.65Å
218	S	89.8	Confident	91.2	Very high	94 Å²	94	44.8 Å²	44.8	66%	0.657	23%	0.233	S	C	*	.	H	α-helix	trans	-68.7	-35.8	-177.6	52.7	0	0	0	0	112.3	E216 S222	E216-S218 PolarHBondContact O-N 2.73Å; S218-S222 PolarHBondContact O-N 2.9Å; S218-S222 PolarHBondContact O-OG 2.78Å
219	L	90.4	Very high	91.3	Very high	12 Å²	12	44.8 Å²	44.8	6%	0.063	23%	0.233	C	C	.	.	H	α-helix	trans	-67.8	-52.7	177.5	176.9	58.9	0	0	0	110.3	Y177 K188 F191 E216 K221 S222 I223	Y177-L219 HydrophobicContact CE1-CD2 4.47Å; K188-L219 HydrophobicContact CD-CD1 4.07Å; K188-L219 HydrophobicContact CD-CD2 4.04Å; K188-L219 VanDerWaalsContact CE-CD1 3.46Å; K188-L219 HydrophobicContact CG-CD1 4.29Å; K188-L219 HydrophobicContact CG-CD2 4.16Å; F191-L219 HydrophobicContact CE1-CD2 4.33Å; E216-L219 HydrophobicContact CB-CB 4.42Å; E216-L219 WeakPolarHBondContact O-CB 3.42Å; E216-L219 PolarHBondContact O-N 3.38Å; L219-K221 VanDerWaalsContact C-N 3.26Å; L219-K221 PolarHBondContact O-N 3.34Å; L219-S222 PolarHBondContact O-N 3.43Å; L219-S222 VanDerWaalsContact O-N 3.09Å; L219-S222 PolarHBondContact O-OG 3.39Å; L219-I223 HydrophobicContact CD1-CD1 4.24Å
220	F	91.4	Very high	91.4	Very high	1 Å²	1	44.1 Å²	44.1	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-65.5	-29.3	-177.6	-77	-89.5	0	0	0	113	Y177 C208 V213 E216 W225 L250	Y177-F220 HydrophobicContact CD1-CE2 4.28Å; Y177-F220 HydrophobicContact CD1-CZ 4.12Å; Y177-F220 HydrophobicContact CE1-CE2 4.22Å; Y177-F220 HydrophobicContact CE1-CZ 4.49Å; C208-F220 HydrophobicContact CB-CZ 4.34Å; V213-F220 HydrophobicContact CG1-CB 4.41Å; V213-F220 HydrophobicContact CG1-CD2 4.33Å; V213-F220 HydrophobicContact CG1-CG 4.18Å; V213-F220 HydrophobicContact CG2-CE1 4.25Å; V213-F220 HydrophobicContact CG2-CE2 4.29Å; V213-F220 HydrophobicContact CG2-CZ 4.13Å; E216-F220 HydrophobicContact CB-CD2 4.31Å; E216-F220 HydrophobicContact CB-CE2 4.35Å; E216-F220 PolarHBondContact O-N 3.32Å; F220-W225 HydrophobicContact CD1-CH2 4.37Å; F220-W225 AromaticContact CD1-CZ2 3.52Å; F220-W225 HydrophobicContact CD1-CZ2 3.52Å; F220-W225 HydrophobicContact CE1-CH2 4.32Å; F220-W225 AromaticContact CE1-CZ2 3.9Å; F220-W225 HydrophobicContact CE1-CZ2 3.9Å; F220-W225 HydrophobicContact CG-CZ2 4.45Å; F220-W225 PolarHBondContact O-NE1 3.11Å; F220-L250 HydrophobicContact CB-CD2 3.69Å
221	K	91.9	Very high	91.5	Very high	84 Å²	84	44.7 Å²	44.7	37%	0.365	23%	0.232	S	C	.	.	H	α-helix	trans	-73.7	-27.1	173.1	-76.6	-178.8	177.9	-165.2	0	114.2	K217 L219 I223 L250 P251	K217-K221 VanDerWaalsContact O-CB 3.31Å; K217-K221 WeakPolarHBondContact O-CB 3.41Å; K217-K221 WeakPolarHBondContact O-CG 3.37Å; K217-K221 PolarHBondContact O-N 3.46Å; L219-K221 VanDerWaalsContact C-N 3.26Å; L219-K221 PolarHBondContact O-N 3.34Å; K221-I223 VanDerWaalsContact C-N 3.25Å; K221-I223 PolarHBondContact O-N 3.41Å; K221-L250 HydrophobicContact CG-CD2 3.95Å; K221-P251 WeakPolarHBondContact O-CG 3.36Å
222	S	90.7	Very high	91.2	Very high	92 Å²	92	41.4 Å²	41.4	64%	0.643	22%	0.217	S	C	*	.	H	α-helix	trans	-75.9	-13.3	179.3	64.7	0	0	0	0	113.9	S218 L219	S218-S222 PolarHBondContact O-N 2.9Å; S218-S222 PolarHBondContact O-OG 2.78Å; L219-S222 PolarHBondContact O-N 3.43Å; L219-S222 VanDerWaalsContact O-N 3.09Å; L219-S222 PolarHBondContact O-OG 3.39Å
223	I	90.4	Very high	90.6	Very high	27 Å²	27	41.1 Å²	41.1	14%	0.138	22%	0.215	C	C	.	.	S	Bend	trans	-106.7	125.2	-177	-60.3	168.5	0	0	0	108	P148 F191 L219 K221 W225 P251	P148-I223 HydrophobicContact CB-CG2 4.36Å; P148-I223 HydrophobicContact CG-CG2 3.62Å; F191-I223 HydrophobicContact CD1-CD1 3.81Å; F191-I223 HydrophobicContact CE1-CD1 4.34Å; L219-I223 HydrophobicContact CD1-CD1 4.24Å; K221-I223 VanDerWaalsContact C-N 3.25Å; K221-I223 PolarHBondContact O-N 3.41Å; I223-W225 HydrophobicContact CB-CZ2 3.91Å; I223-W225 HydrophobicContact CD1-CH2 4.06Å; I223-W225 HydrophobicContact CD1-CZ2 3.77Å; I223-W225 HydrophobicContact CG1-CZ2 4.44Å; I223-W225 HydrophobicContact CG2-CD2 3.9Å; I223-W225 HydrophobicContact CG2-CE3 4.16Å; I223-W225 HydrophobicContact CG2-CG 4.47Å; I223-W225 HydrophobicContact CG2-CH2 4.13Å; I223-W225 HydrophobicContact CG2-CZ2 3.82Å; I223-W225 HydrophobicContact CG2-CZ3 4.28Å; I223-W225 PolarHBondContact O-N 3.48Å; I223-W225 PolarHBondContact O-NE1 3.2Å; I223-P251 WeakPolarHBondContact O-CG 3.27Å
224	E	92.1	Very high	89.8	Confident	141 Å²	141	42.6 Å²	42.6	66%	0.659	22%	0.222	S	C	*	.			trans	-81.7	108.9	170.8	-171.8	175.6	-175.9	0	0	109.5	P148	P148-E224 WeakPolarHBondContact CD-O 3.33Å; P148-E224 VanDerWaalsContact CG-O 3.3Å; P148-E224 WeakPolarHBondContact CG-O 3.2Å
225	W	93.4	Very high	89.2	Confident	2 Å²	2	43 Å²	43	1%	0.008	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	131.8	-174.7	-60.2	94.1	0	0	0	111.2	P148 C150 F191 I206 F220 I223 P251 S252 S253	P148-W225 HydrophobicContact CB-CE3 3.79Å; P148-W225 HydrophobicContact CB-CZ3 3.83Å; P148-W225 HydrophobicContact CG-CE3 3.99Å; P148-W225 HydrophobicContact CG-CZ3 4.4Å; C150-W225 HydrophobicContact CB-CD2 3.79Å; C150-W225 HydrophobicContact CB-CE3 3.47Å; C150-W225 VanDerWaalsContact CB-CE3 3.47Å; C150-W225 HydrophobicContact CB-CG 4.49Å; C150-W225 HydrophobicContact CB-CH2 4.08Å; C150-W225 HydrophobicContact CB-CZ2 4.37Å; C150-W225 HydrophobicContact CB-CZ3 3.62Å; F191-W225 HydrophobicContact CE1-CH2 4.34Å; I206-W225 HydrophobicContact CB-CH2 4.23Å; I206-W225 HydrophobicContact CB-CZ3 4.3Å; I206-W225 HydrophobicContact CG1-CH2 3.96Å; I206-W225 HydrophobicContact CG1-CZ3 4.01Å; F220-W225 HydrophobicContact CD1-CH2 4.37Å; F220-W225 AromaticContact CD1-CZ2 3.52Å; F220-W225 HydrophobicContact CD1-CZ2 3.52Å; F220-W225 HydrophobicContact CE1-CH2 4.32Å; F220-W225 AromaticContact CE1-CZ2 3.9Å; F220-W225 HydrophobicContact CE1-CZ2 3.9Å; F220-W225 HydrophobicContact CG-CZ2 4.45Å; F220-W225 PolarHBondContact O-NE1 3.11Å; I223-W225 HydrophobicContact CB-CZ2 3.91Å; I223-W225 HydrophobicContact CD1-CH2 4.06Å; I223-W225 HydrophobicContact CD1-CZ2 3.77Å; I223-W225 HydrophobicContact CG1-CZ2 4.44Å; I223-W225 HydrophobicContact CG2-CD2 3.9Å; I223-W225 HydrophobicContact CG2-CE3 4.16Å; I223-W225 HydrophobicContact CG2-CG 4.47Å; I223-W225 HydrophobicContact CG2-CH2 4.13Å; I223-W225 HydrophobicContact CG2-CZ2 3.82Å; I223-W225 HydrophobicContact CG2-CZ3 4.28Å; I223-W225 PolarHBondContact O-N 3.48Å; I223-W225 PolarHBondContact O-NE1 3.2Å; W225-P251 PolarHBondContact N-O 3.34Å; W225-S252 CarbonylContact O-C 3.54Å; W225-S252 WeakPolarHBondContact O-CA 3.41Å; W225-S253 PolarHBondContact O-N 3.47Å
226	R	93.6	Very high	88.7	Confident	58 Å²	58	38.5 Å²	38.5	22%	0.219	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	-40.5	172.6	-179.5	55.9	178.6	87.4	1.3	111.4	D113 I145 P148 F149 G254	D113-R226 IonicContact OD1-CZ 3.97Å; D113-R226 IonicContact OD1-NH1 3.99Å; D113-R226 PolarHBondContact OD1-NH1 2.76Å; D113-R226 IonicContact OD1-NH2 3.11Å; D113-R226 PolarHBondContact OD1-NH2 3.09Å; D113-R226 IonicContact OD2-CZ 3.18Å; D113-R226 IonicContact OD2-NH2 2.85Å; D113-R226 PolarHBondContact OD2-NH2 3.42Å; I145-R226 HydrophobicContact CG2-CG 3.8Å; P148-R226 PolarHBondContact O-N 2.96Å; F149-R226 HydrophobicContact CD1-CB 4.32Å; F149-R226 HydrophobicContact CE1-CB 4.11Å; F149-R226 HydrophobicContact CE1-CG 3.99Å; R226-G254 PolarHBondContact O-N 3.35Å
227	Y	94.4	Very high	88	Confident	9 Å²	9	39.8 Å²	39.8	4%	0.035	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	134.4	169.7	-90.4	-85.4	0	0	0	112.1	D113 F136 L140 F149 C150 G254	D113-Y227 WeakPolarHBondContact CA-OH 3.48Å; D113-Y227 WeakPolarHBondContact CB-OH 3.45Å; D113-Y227 WeakPolarHBondContact OD1-CE2 3.49Å; D113-Y227 PolarHBondContact OD1-OH 2.85Å; F136-Y227 HydrophobicContact CE1-CD1 4.29Å; F136-Y227 HydrophobicContact CE1-CD2 4.37Å; F136-Y227 AromaticContact CE1-CE1 3.93Å; F136-Y227 HydrophobicContact CE1-CE1 3.93Å; F136-Y227 HydrophobicContact CE1-CE2 4.02Å; F136-Y227 AromaticContact CE1-CZ 3.81Å; F136-Y227 HydrophobicContact CZ-CE1 4.07Å; F136-Y227 AromaticContact CZ-CE2 3.82Å; F136-Y227 HydrophobicContact CZ-CE2 3.82Å; F136-Y227 AromaticContact CZ-CZ 3.54Å; L140-Y227 HydrophobicContact CD1-CD2 3.63Å; L140-Y227 HydrophobicContact CD1-CE2 3.57Å; F149-Y227 HydrophobicContact CD1-CD2 4.45Å; F149-Y227 HydrophobicContact CE1-CD2 4.25Å; C150-Y227 PolarHBondContact N-O 3.36Å; Y227-G254 WeakPolarHBondContact CA-O 3.24Å
228	L	94.5	Very high	87.3	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	113.2	164.9	179.5	65.4	0	0	0	108.9	C150 V152 L230 L250 G254 R255 L256 F276	C150-L228 HydrophobicContact CB-CD1 4.11Å; V152-L228 HydrophobicContact CG2-CD1 3.91Å; L228-L230 HydrophobicContact CD1-CD2 4.08Å; L228-L230 HydrophobicContact CD2-CD2 4.39Å; L228-L230 HydrophobicContact CG-CD2 4Å; L228-L250 HydrophobicContact CD1-CD1 4.31Å; L228-L250 HydrophobicContact CD2-CB 4.31Å; L228-L250 HydrophobicContact CD2-CD1 4.09Å; L228-G254 PolarHBondContact N-O 3.29Å; L228-R255 WeakPolarHBondContact O-CA 3.12Å; L228-L256 PolarHBondContact O-N 3.45Å; L228-F276 HydrophobicContact CD2-CZ 4.16Å
229	I	95.2	Very high	86.2	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	119.1	-177.3	-50.5	-173.9	0	0	0	108.3	C133 L137 C150 I151 V152 L256 L258	C133-I229 WeakPolarHBondContact SG-CD1 3.41Å; L137-I229 HydrophobicContact CD1-CD1 4.09Å; L137-I229 HydrophobicContact CD2-CD1 4.05Å; L137-I229 HydrophobicContact CG-CD1 4.26Å; C150-I229 PolarHBondContact O-N 2.95Å; I151-I229 CarbonylContact C-O 3.51Å; I151-I229 WeakPolarHBondContact CA-O 3.36Å; I151-I229 HydrophobicContact CG1-CB 4.14Å; I151-I229 HydrophobicContact CG1-CD1 4.27Å; V152-I229 PolarHBondContact N-O 3.2Å; I229-L256 CarbonylContact C-O 2.77Å; I229-L256 WeakPolarHBondContact CA-O 3.37Å; I229-L256 HydrophobicContact CD1-CD2 4.33Å; I229-L256 HydrophobicContact CG1-CB 4.21Å; I229-L256 HydrophobicContact CG2-CB 4.31Å; I229-L256 HydrophobicContact CG2-CD2 4.17Å; I229-L256 HydrophobicContact CG2-CG 4.29Å; I229-L258 HydrophobicContact CG2-CD1 3.88Å; I229-L258 HydrophobicContact CG2-CG 4.05Å
230	L	93.5	Very high	85.4	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	113.3	177.6	-52.7	-172.5	0	0	0	109.6	V152 L228 I236 M247 L256 L257 L258 F276	V152-L230 HydrophobicContact CB-CD2 3.6Å; V152-L230 HydrophobicContact CG1-CD2 4.37Å; V152-L230 HydrophobicContact CG2-CD2 3.71Å; L228-L230 HydrophobicContact CD1-CD2 4.08Å; L228-L230 HydrophobicContact CD2-CD2 4.39Å; L228-L230 HydrophobicContact CG-CD2 4Å; L230-I236 HydrophobicContact CD1-CD1 4.07Å; L230-I236 HydrophobicContact CD1-CG2 4.23Å; L230-M247 HydrophobicContact CD1-CB 4.42Å; L230-M247 HydrophobicContact CD1-CG 4.3Å; L230-M247 HydrophobicContact CD2-SD 4.13Å; L230-L256 PolarHBondContact N-O 3.25Å; L230-L257 HydrophobicContact CB-CD2 3.69Å; L230-L257 HydrophobicContact CD1-CD2 3.72Å; L230-L257 HydrophobicContact CG-CD2 3.94Å; L230-L258 PolarHBondContact O-N 3.49Å; L230-F276 HydrophobicContact CD1-CD1 4.48Å; L230-F276 HydrophobicContact CD1-CE1 3.64Å; L230-F276 HydrophobicContact CD1-CE2 4.22Å; L230-F276 HydrophobicContact CD1-CZ 3.49Å; L230-F276 VanDerWaalsContact CD1-CZ 3.49Å; L230-F276 HydrophobicContact CG-CE1 4.32Å; L230-F276 HydrophobicContact CG-CZ 4.29Å
231	D	91	Very high	84.9	Confident	13 Å²	13	41 Å²	41	7%	0.07	21%	0.209	C	C	.	.	S	Bend	trans	-84.3	144	172.4	-170.4	24.6	0	0	0	111.1	V152 A153 W161 Y210 L258	V152-D231 PolarHBondContact O-N 2.86Å; A153-D231 HydrophobicContact CB-CB 3.79Å; W161-D231 HydrophobicContact CZ2-CB 4.1Å; W161-D231 PolarHBondContact NE1-OD2 3.39Å; Y210-D231 PolarHBondContact OH-O 3.34Å; D231-L258 HydrophobicContact CB-CD1 4.47Å
232	E	83.1	Confident	84.5	Confident	12 Å²	12	41.6 Å²	41.6	6%	0.056	22%	0.219	C	C	.	.	S	Bend	trans	51.4	56.1	-171.7	-66.5	-69.9	-176.8	0	0	111.5	P154 H234 R235 L258 R518	P154-E232 HydrophobicContact CG-CB 3.8Å; P154-E232 HydrophobicContact CG-CG 3.89Å; E232-H234 PolarHBondContact O-N 2.9Å; E232-H234 IonicContact OE2-CE1 3.48Å; E232-H234 PolarHBondContact OE2-CE1 3.05Å; E232-H234 IonicContact OE2-ND1 3.2Å; E232-H234 PolarHBondContact OE2-ND1 3.19Å; E232-R235 PolarHBondContact O-N 3.47Å; E232-L258 PolarHBondContact N-O 2.89Å; E232-L258 VanDerWaalsContact N-O 3.11Å; E232-R518 IonicContact OE1-CZ 3.87Å; E232-R518 IonicContact OE1-NH2 2.78Å; E232-R518 PolarHBondContact OE1-NH2 3.4Å
233	G	77.5	Confident	84.3	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-54.7	-14.1	-175.2	0	0	0	0	0	115.2	R235 I236 L258 L273	G233-R235 PolarHBondContact O-N 2.69Å; G233-I236 WeakPolarHBondContact O-CG1 3.32Å; G233-I236 PolarHBondContact O-N 3.45Å; G233-L258 PolarHBondContact N-O 3.39Å; G233-L273 WeakPolarHBondContact O-CD2 3.32Å
234	H	74.5	Confident	84.1	Confident	32 Å²	32	38 Å²	38	15%	0.148	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-57.6	-18.8	169.7	69.8	-96.8	0	0	0	113	E232 I236 K237	E232-H234 PolarHBondContact O-N 2.9Å; E232-H234 IonicContact OE2-CE1 3.48Å; E232-H234 PolarHBondContact OE2-CE1 3.05Å; E232-H234 IonicContact OE2-ND1 3.2Å; E232-H234 PolarHBondContact OE2-ND1 3.19Å; H234-I236 PolarHBondContact O-N 3.41Å; H234-K237 WeakPolarHBondContact O-CB 3.13Å; H234-K237 VanDerWaalsContact O-CD 3.24Å; H234-K237 WeakPolarHBondContact O-CD 3.3Å; H234-K237 WeakPolarHBondContact O-CG 3.39Å; H234-K237 PolarHBondContact O-N 3.06Å
235	R	75.8	Confident	83.8	Confident	73 Å²	73	38 Å²	38	28%	0.275	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-63.2	-22.1	172.2	-77.8	-165.9	170.2	-151.9	-0.8	114.5	Y210 E211 E232 G233	Y210-R235 HydrophobicContact CE1-CB 4.21Å; Y210-R235 HydrophobicContact CE2-CB 4.39Å; Y210-R235 HydrophobicContact CE2-CG 4.45Å; E211-R235 IonicContact OE1-CZ 2.73Å; E211-R235 IonicContact OE1-NH1 3.24Å; E211-R235 PolarHBondContact OE1-NH1 2.92Å; E211-R235 IonicContact OE2-NH1 2.78Å; E232-R235 PolarHBondContact O-N 3.47Å; G233-R235 PolarHBondContact O-N 2.69Å
236	I	79.1	Confident	83.6	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-97.6	13.3	176.8	59.2	156.9	0	0	0	113.3	Y210 L230 G233 H234 N238 T243 R244 L257 L273 F276	Y210-I236 HydrophobicContact CE1-CG2 4.42Å; L230-I236 HydrophobicContact CD1-CD1 4.07Å; L230-I236 HydrophobicContact CD1-CG2 4.23Å; G233-I236 WeakPolarHBondContact O-CG1 3.32Å; G233-I236 PolarHBondContact O-N 3.45Å; H234-I236 PolarHBondContact O-N 3.41Å; I236-N238 VanDerWaalsContact C-N 3.35Å; I236-N238 PolarHBondContact O-N 3.15Å; I236-T243 HydrophobicContact CG2-CG2 4.24Å; I236-R244 HydrophobicContact CB-CB 4.26Å; I236-R244 HydrophobicContact CB-CG 4.42Å; I236-R244 WeakPolarHBondContact O-CD 3.4Å; I236-L257 HydrophobicContact CD1-CD1 4.17Å; I236-L257 HydrophobicContact CD1-CD2 3.89Å; I236-L273 HydrophobicContact CD1-CD2 3.94Å; I236-L273 HydrophobicContact CG1-CD2 3.81Å; I236-F276 HydrophobicContact CD1-CB 4Å; I236-F276 HydrophobicContact CD1-CD1 3.86Å; I236-F276 HydrophobicContact CD1-CD2 4.18Å; I236-F276 HydrophobicContact CD1-CE1 4.41Å; I236-F276 HydrophobicContact CD1-CG 3.71Å
237	K	75.3	Confident	83.4	Confident	60 Å²	60	35.8 Å²	35.8	26%	0.261	18%	0.179	S	C	.	.			trans	-64.2	-32.3	-175.6	73.9	-171.6	-160.2	140.5	0	114.9	H234 S239 E269 S272	H234-K237 WeakPolarHBondContact O-CB 3.13Å; H234-K237 VanDerWaalsContact O-CD 3.24Å; H234-K237 WeakPolarHBondContact O-CD 3.3Å; H234-K237 WeakPolarHBondContact O-CG 3.39Å; H234-K237 PolarHBondContact O-N 3.06Å; K237-S239 PolarHBondContact O-N 3.33Å; K237-E269 HydrophobicContact CB-CB 4.06Å; K237-E269 HydrophobicContact CB-CG 3.83Å; K237-E269 HydrophobicContact CD-CG 4.42Å; K237-E269 WeakPolarHBondContact CD-OE1 3.4Å; K237-E269 VanDerWaalsContact CE-OE1 3.26Å; K237-E269 WeakPolarHBondContact CE-OE1 3.33Å; K237-E269 HydrophobicContact CG-CG 4.22Å; K237-E269 IonicContact NZ-OE1 3.64Å; K237-E269 PolarHBondContact NZ-OE1 3.46Å; K237-E269 IonicContact NZ-OE2 2.72Å; K237-S272 VanDerWaalsContact O-CB 3.26Å; K237-S272 WeakPolarHBondContact O-CB 3.4Å; K237-S272 PolarHBondContact O-OG 3.3Å
238	N	75.1	Confident	83.2	Confident	108 Å²	108	39.2 Å²	39.2	58%	0.578	19%	0.194	S	C	*	.			trans	-75.5	111.9	176.7	-94.2	5.2	0	0	0	109.6	I236 D240 G241	I236-N238 VanDerWaalsContact C-N 3.35Å; I236-N238 PolarHBondContact O-N 3.15Å; N238-D240 PolarHBondContact O-N 3.49Å; N238-G241 PolarHBondContact O-N 2.67Å
239	S	68.4	Low	82.9	Confident	14 Å²	14	44.5 Å²	44.5	10%	0.098	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-40.5	175.8	49.4	0	0	0	0	113.1	K237 G241 S272 K285	K237-S239 PolarHBondContact O-N 3.33Å; S239-G241 VanDerWaalsContact C-N 3.34Å; S239-S272 WeakPolarHBondContact CA-OG 3.49Å; S239-S272 VanDerWaalsContact CB-OG 3.32Å; S239-S272 WeakPolarHBondContact CB-OG 3.49Å; S239-S272 PolarHBondContact N-OG 2.99Å; S239-K285 PolarHBondContact OG-NZ 3.34Å
240	D	73.2	Confident	82.7	Confident	116 Å²	116	44.6 Å²	44.6	62%	0.62	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-3.5	-177.8	-54.9	-37.7	0	0	0	113.7	N238 V242 R245 K285	N238-D240 PolarHBondContact O-N 3.49Å; D240-V242 PolarHBondContact O-N 3.04Å; D240-R245 PolarHBondContact O-NE 2.8Å; D240-R245 PolarHBondContact O-NH2 2.82Å; D240-K285 IonicContact OD1-NZ 3.07Å
241	G	79.9	Confident	82.6	Confident	20 Å²	20	47 Å²	47	21%	0.206	24%	0.235	C	C	.	.			trans	-58.5	132.7	-177.9	0	0	0	0	0	112.2	N238 S239 T243 R244 R245	N238-G241 PolarHBondContact O-N 2.67Å; S239-G241 VanDerWaalsContact C-N 3.34Å; G241-T243 PolarHBondContact O-N 3.45Å; G241-R244 PolarHBondContact O-N 2.98Å; G241-R244 VanDerWaalsContact O-N 3.16Å; G241-R245 PolarHBondContact O-N 2.88Å
242	V	84.7	Confident	82.6	Confident	96 Å²	96	47.6 Å²	47.6	58%	0.582	24%	0.24	S	C	*	.	H	α-helix	trans	-57.1	-38.9	176.2	-180	0	0	0	0	110.8	D240 R244 R245 L246	D240-V242 PolarHBondContact O-N 3.04Å; V242-R244 PolarHBondContact O-N 2.75Å; V242-R245 PolarHBondContact O-N 3.05Å; V242-L246 WeakPolarHBondContact O-CB 3.47Å; V242-L246 PolarHBondContact O-N 2.97Å
243	T	85.5	Confident	83	Confident	28 Å²	28	50.2 Å²	50.2	17%	0.172	26%	0.26	C	S	.	.	H	α-helix	trans	-53.5	-52	175	-37.9	0	0	0	0	112.1	Y210 M214 I236 G241 L246 M247	Y210-T243 HydrophobicContact CD1-CG2 3.57Å; Y210-T243 HydrophobicContact CE1-CG2 4.26Å; Y210-T243 HydrophobicContact CG-CG2 4.46Å; M214-T243 HydrophobicContact CE-CG2 3.58Å; M214-T243 WeakPolarHBondContact CE-OG1 3.47Å; I236-T243 HydrophobicContact CG2-CG2 4.24Å; G241-T243 PolarHBondContact O-N 3.45Å; T243-L246 PolarHBondContact O-N 2.91Å; T243-M247 HydrophobicContact CG2-CE 4.39Å; T243-M247 HydrophobicContact CG2-CG 4.5Å; T243-M247 VanDerWaalsContact O-CG 3.27Å; T243-M247 WeakPolarHBondContact O-CG 3.33Å; T243-M247 PolarHBondContact O-N 3.26Å
244	R	86.2	Confident	83.6	Confident	15 Å²	15	50.3 Å²	50.3	6%	0.057	26%	0.261	C	S	.	.	H	α-helix	trans	-64.3	-46.5	-176.4	-177	-176	-179	-87.3	-8.7	111.2	I236 G241 V242 L246 M247 K248 S272 N275	I236-R244 HydrophobicContact CB-CB 4.26Å; I236-R244 HydrophobicContact CB-CG 4.42Å; I236-R244 WeakPolarHBondContact O-CD 3.4Å; G241-R244 PolarHBondContact O-N 2.98Å; G241-R244 VanDerWaalsContact O-N 3.16Å; V242-R244 PolarHBondContact O-N 2.75Å; R244-L246 VanDerWaalsContact C-N 3.28Å; R244-L246 PolarHBondContact O-N 2.84Å; R244-M247 PolarHBondContact O-N 3.22Å; R244-K248 WeakPolarHBondContact O-CB 3.46Å; R244-K248 PolarHBondContact O-N 3.19Å; R244-S272 PolarHBondContact NE-O 3.26Å; R244-S272 PolarHBondContact NH2-O 3.03Å; R244-N275 VanDerWaalsContact NH2-CB 3.31Å; R244-N275 VanDerWaalsContact NH2-CG 3.33Å; R244-N275 PolarHBondContact NH2-OD1 3.01Å
245	R	86.8	Confident	84.5	Confident	140 Å²	140	50 Å²	50	53%	0.528	26%	0.258	S	S	.	.	H	α-helix	trans	-57.4	-42.9	176.4	-77	-173.1	-81.8	166.4	-9.7	111.5	D240 G241 V242 Q249	D240-R245 PolarHBondContact O-NE 2.8Å; D240-R245 PolarHBondContact O-NH2 2.82Å; G241-R245 PolarHBondContact O-N 2.88Å; V242-R245 PolarHBondContact O-N 3.05Å; R245-Q249 VanDerWaalsContact O-CG 3.27Å; R245-Q249 WeakPolarHBondContact O-CG 2.89Å; R245-Q249 PolarHBondContact O-N 2.9Å
246	L	88.5	Confident	85.3	Confident	14 Å²	14	46.6 Å²	46.6	7%	0.073	25%	0.246	C	C	.	.	H	α-helix	trans	-65.9	-48.6	177.2	179.8	67.4	0	0	0	112.2	V213 M214 K217 V242 T243 R244 K248 Q249 L250	V213-L246 HydrophobicContact CG1-CD2 4.07Å; M214-L246 HydrophobicContact CB-CD2 4.12Å; M214-L246 HydrophobicContact CG-CD2 3.77Å; K217-L246 HydrophobicContact CB-CD1 3.65Å; V242-L246 WeakPolarHBondContact O-CB 3.47Å; V242-L246 PolarHBondContact O-N 2.97Å; T243-L246 PolarHBondContact O-N 2.91Å; R244-L246 VanDerWaalsContact C-N 3.28Å; R244-L246 PolarHBondContact O-N 2.84Å; L246-K248 VanDerWaalsContact C-N 3.28Å; L246-K248 PolarHBondContact O-N 3.17Å; L246-Q249 WeakPolarHBondContact O-CB 3.42Å; L246-Q249 PolarHBondContact O-N 3.05Å; L246-Q249 VanDerWaalsContact O-N 3.09Å; L246-L250 PolarHBondContact O-N 3.11Å
247	M	90.2	Very high	85.9	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62	-37.4	-179.4	-65.8	-58.2	167.2	0	0	111.6	V152 Y210 V213 L230 T243 R244 Q249 L250 F276	V152-M247 HydrophobicContact CG1-CE 3.93Å; V152-M247 HydrophobicContact CG2-CE 4.45Å; Y210-M247 HydrophobicContact CD1-CE 3.81Å; Y210-M247 HydrophobicContact CE1-CE 4.35Å; V213-M247 HydrophobicContact CB-CE 3.79Å; V213-M247 HydrophobicContact CG1-CE 3.67Å; V213-M247 HydrophobicContact CG1-SD 4.09Å; V213-M247 HydrophobicContact CG2-CE 4.11Å; L230-M247 HydrophobicContact CD1-CB 4.42Å; L230-M247 HydrophobicContact CD1-CG 4.3Å; L230-M247 HydrophobicContact CD2-SD 4.13Å; T243-M247 HydrophobicContact CG2-CE 4.39Å; T243-M247 HydrophobicContact CG2-CG 4.5Å; T243-M247 VanDerWaalsContact O-CG 3.27Å; T243-M247 WeakPolarHBondContact O-CG 3.33Å; T243-M247 PolarHBondContact O-N 3.26Å; R244-M247 PolarHBondContact O-N 3.22Å; M247-Q249 PolarHBondContact O-N 2.92Å; M247-L250 PolarHBondContact O-N 2.85Å; M247-L250 HydrophobicContact SD-CD1 3.82Å; M247-F276 HydrophobicContact CB-CE2 3.61Å; M247-F276 HydrophobicContact CB-CZ 4.16Å
248	K	88.2	Confident	86.7	Confident	81 Å²	81	43.8 Å²	43.8	35%	0.352	23%	0.234	S	C	.	.	H	α-helix	trans	-63.8	-30.2	176.6	-172.2	172	-179.4	171.4	0	112.7	R244 L246 L250 R255 N275	R244-K248 WeakPolarHBondContact O-CB 3.46Å; R244-K248 PolarHBondContact O-N 3.19Å; L246-K248 VanDerWaalsContact C-N 3.28Å; L246-K248 PolarHBondContact O-N 3.17Å; K248-L250 VanDerWaalsContact C-N 3.34Å; K248-R255 PolarHBondContact O-NH2 3.22Å; K248-R255 VanDerWaalsContact O-NH2 3.07Å; K248-N275 PolarHBondContact NZ-OD1 2.68Å
249	Q	89.5	Confident	87.2	Confident	112 Å²	112	38.8 Å²	38.8	52%	0.523	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-6.9	179.5	-70.5	173.4	-0.8	0	0	114	R245 L246 M247	R245-Q249 VanDerWaalsContact O-CG 3.27Å; R245-Q249 WeakPolarHBondContact O-CG 2.89Å; R245-Q249 PolarHBondContact O-N 2.9Å; L246-Q249 WeakPolarHBondContact O-CB 3.42Å; L246-Q249 PolarHBondContact O-N 3.05Å; L246-Q249 VanDerWaalsContact O-N 3.09Å; M247-Q249 PolarHBondContact O-N 2.92Å
250	L	91.4	Very high	87.5	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.01	21%	0.205	C	C	.	.	S	Bend	trans	-75.5	127.3	175.5	-61.3	-177.7	0	0	0	109.3	V213 F220 K221 L228 L246 M247 K248 S252 R255	V213-L250 HydrophobicContact CG1-CD1 4.02Å; F220-L250 HydrophobicContact CB-CD2 3.69Å; K221-L250 HydrophobicContact CG-CD2 3.95Å; L228-L250 HydrophobicContact CD1-CD1 4.31Å; L228-L250 HydrophobicContact CD2-CB 4.31Å; L228-L250 HydrophobicContact CD2-CD1 4.09Å; L246-L250 PolarHBondContact O-N 3.11Å; M247-L250 PolarHBondContact O-N 2.85Å; M247-L250 HydrophobicContact SD-CD1 3.82Å; K248-L250 VanDerWaalsContact C-N 3.34Å; L250-S252 PolarHBondContact O-N 2.82Å; L250-R255 PolarHBondContact O-NH2 3.05Å
251	P	91.2	Very high	87.3	Confident	49 Å²	49	34.3 Å²	34.3	32%	0.318	19%	0.185	S	C	.	.			trans	-70.2	119.2	176.9	28.1	-30.6	0	0	0	108.7	K221 I223 W225	K221-P251 WeakPolarHBondContact O-CG 3.36Å; I223-P251 WeakPolarHBondContact O-CG 3.27Å; W225-P251 PolarHBondContact N-O 3.34Å
252	S	91.1	Very high	86.3	Confident	26 Å²	26	33.9 Å²	33.9	18%	0.182	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	130	-176.1	62.7	0	0	0	0	110.8	W225 L250 R255	W225-S252 CarbonylContact O-C 3.54Å; W225-S252 WeakPolarHBondContact O-CA 3.41Å; L250-S252 PolarHBondContact O-N 2.82Å; S252-R255 WeakPolarHBondContact OG-CG 3.26Å; S252-R255 PolarHBondContact OG-NE 3.21Å
253	S	90	Very high	85.2	Confident	68 Å²	68	30 Å²	30	48%	0.476	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	-38.7	174.4	-40.9	0	0	0	0	112	W225	W225-S253 PolarHBondContact O-N 3.47Å
254	G	91	Very high	83.7	Confident	2 Å²	2	31.5 Å²	31.5	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	143.5	177.6	0	0	0	0	0	112.4	N118 R226 Y227 L228	N118-G254 WeakPolarHBondContact OD1-CA 3.34Å; R226-G254 PolarHBondContact O-N 3.35Å; Y227-G254 WeakPolarHBondContact CA-O 3.24Å; L228-G254 PolarHBondContact N-O 3.29Å
255	R	92.7	Very high	82.3	Confident	24 Å²	24	33.7 Å²	33.7	9%	0.091	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	129.4	176.5	-63.9	178.9	176.8	172.8	1.1	110	N118 G119 L228 K248 L250 S252 F276	N118-R255 WeakPolarHBondContact CA-O 3.5Å; N118-R255 HydrophobicContact CB-CB 4.17Å; N118-R255 WeakPolarHBondContact CB-O 3.5Å; N118-R255 PolarHBondContact OD1-N 2.73Å; G119-R255 PolarHBondContact N-O 3.07Å; L228-R255 WeakPolarHBondContact O-CA 3.12Å; K248-R255 PolarHBondContact O-NH2 3.22Å; K248-R255 VanDerWaalsContact O-NH2 3.07Å; L250-R255 PolarHBondContact O-NH2 3.05Å; S252-R255 WeakPolarHBondContact OG-CG 3.26Å; S252-R255 PolarHBondContact OG-NE 3.21Å; R255-F276 HydrophobicContact CB-CE1 4.28Å; R255-F276 HydrophobicContact CG-CE1 4.43Å; R255-F276 PolarHBondContact NH1-O 3.34Å
256	L	93.5	Very high	81.2	Confident	3 Å²	3	30.1 Å²	30.1	2%	0.016	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	124.5	175.2	178	59.1	0	0	0	109.4	L109 L121 L228 I229 L230 L258	L109-L256 HydrophobicContact CD1-CD2 4.39Å; L109-L256 HydrophobicContact CD2-CD1 3.45Å; L109-L256 VanDerWaalsContact CD2-CD1 3.45Å; L109-L256 HydrophobicContact CD2-CD2 4Å; L109-L256 HydrophobicContact CD2-CG 4.37Å; L121-L256 HydrophobicContact CB-CD1 4.38Å; L228-L256 PolarHBondContact O-N 3.45Å; I229-L256 CarbonylContact C-O 2.77Å; I229-L256 WeakPolarHBondContact CA-O 3.37Å; I229-L256 HydrophobicContact CD1-CD2 4.33Å; I229-L256 HydrophobicContact CG1-CB 4.21Å; I229-L256 HydrophobicContact CG2-CB 4.31Å; I229-L256 HydrophobicContact CG2-CD2 4.17Å; I229-L256 HydrophobicContact CG2-CG 4.29Å; L230-L256 PolarHBondContact N-O 3.25Å; L256-L258 HydrophobicContact CD1-CD2 4.35Å; L256-L258 HydrophobicContact CD2-CD2 3.97Å; L256-L258 HydrophobicContact CG-CD2 3.96Å
257	L	92.4	Very high	80.3	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	125.9	171.5	-66.5	-175	0	0	0	109.9	G119 I120 L121 L230 I236 L273 F276 V277	G119-L257 PolarHBondContact O-N 3.28Å; I120-L257 CarbonylContact C-O 3.5Å; I120-L257 WeakPolarHBondContact CA-O 3.18Å; I120-L257 HydrophobicContact CB-CB 4.42Å; I120-L257 HydrophobicContact CD1-CD1 4.28Å; I120-L257 HydrophobicContact CG1-CB 4.2Å; I120-L257 HydrophobicContact CG1-CD1 4.26Å; I120-L257 HydrophobicContact CG2-CB 4.09Å; L121-L257 PolarHBondContact N-O 3.09Å; L230-L257 HydrophobicContact CB-CD2 3.69Å; L230-L257 HydrophobicContact CD1-CD2 3.72Å; L230-L257 HydrophobicContact CG-CD2 3.94Å; I236-L257 HydrophobicContact CD1-CD1 4.17Å; I236-L257 HydrophobicContact CD1-CD2 3.89Å; L257-L273 HydrophobicContact CD1-CB 4.37Å; L257-L273 HydrophobicContact CD1-CD2 4Å; L257-F276 HydrophobicContact CD1-CD1 3.95Å; L257-F276 HydrophobicContact CD2-CD1 3.67Å; L257-F276 HydrophobicContact CD2-CE1 3.6Å; L257-F276 HydrophobicContact CG-CD1 3.99Å; L257-F276 HydrophobicContact CG-CE1 4.25Å; L257-V277 HydrophobicContact CD1-CG2 3.43Å; L257-V277 VanDerWaalsContact CD1-CG2 3.43Å; L257-V277 HydrophobicContact CG-CG2 3.85Å
258	L	91.5	Very high	79.5	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	123.6	170.7	-50.9	177.6	0	0	0	108.5	L121 C133 W161 I229 L230 D231 E232 G233 L256	L121-L258 HydrophobicContact CB-CD2 3.74Å; L121-L258 HydrophobicContact CD2-CD2 3.89Å; L121-L258 HydrophobicContact CG-CD2 4.35Å; C133-L258 HydrophobicContact CB-CD1 4.29Å; W161-L258 HydrophobicContact CH2-CD1 3.91Å; W161-L258 HydrophobicContact CZ2-CD1 3.9Å; I229-L258 HydrophobicContact CG2-CD1 3.88Å; I229-L258 HydrophobicContact CG2-CG 4.05Å; L230-L258 PolarHBondContact O-N 3.49Å; D231-L258 HydrophobicContact CB-CD1 4.47Å; E232-L258 PolarHBondContact N-O 2.89Å; E232-L258 VanDerWaalsContact N-O 3.11Å; G233-L258 PolarHBondContact N-O 3.39Å; L256-L258 HydrophobicContact CD1-CD2 4.35Å; L256-L258 HydrophobicContact CD2-CD2 3.97Å; L256-L258 HydrophobicContact CG-CD2 3.96Å
259	T	85.2	Confident	78.8	Confident	3 Å²	3	31.4 Å²	31.4	2%	0.018	17%	0.171	C	C	.	.			trans	-144	148.2	175.9	-174.5	0	0	0	0	111	I120 L121 A122 K129 T261 P262	I120-T259 HydrophobicContact CG2-CG2 3.94Å; L121-T259 PolarHBondContact O-N 3.32Å; A122-T259 CarbonylContact C-O 3.49Å; A122-T259 WeakPolarHBondContact CA-O 2.97Å; A122-T259 HydrophobicContact CB-CG2 3.96Å; K129-T259 WeakPolarHBondContact CD-O 3.42Å; K129-T259 VanDerWaalsContact CE-O 3.31Å; K129-T259 WeakPolarHBondContact CE-O 3.34Å; K129-T259 PolarHBondContact NZ-O 3.17Å; T259-T261 PolarHBondContact OG1-N 3.39Å; T259-T261 PolarHBondContact OG1-O 2.96Å; T259-P262 HydrophobicContact CG2-CB 3.93Å
260	G	75.1	Confident	78.1	Confident	5 Å²	5	27 Å²	27	5%	0.052	15%	0.152	C	C	.	.	S	Bend	trans	-94.3	-18.2	168.7	0	0	0	0	0	113.4
261	T	69.2	Low	77.6	Confident	32 Å²	32	27.7 Å²	27.7	20%	0.196	15%	0.154	C	C	.	.			trans	-138.6	86.5	-176.9	46.7	0	0	0	0	107.9	T259 V263 Q264	T259-T261 PolarHBondContact OG1-N 3.39Å; T259-T261 PolarHBondContact OG1-O 2.96Å; T261-V263 PolarHBondContact O-N 3.38Å; T261-Q264 PolarHBondContact OG1-NE2 2.8Å
262	P	59.5	Low	77.1	Confident	10 Å²	10	25.4 Å²	25.4	7%	0.065	14%	0.139	C	C	.	.	S	Bend	trans	-64.5	-24.7	-173.4	24.5	-33.9	0	0	0	113.5	A122 T259 L273	A122-P262 HydrophobicContact CB-CB 4.04Å; A122-P262 HydrophobicContact CB-CG 3.95Å; T259-P262 HydrophobicContact CG2-CB 3.93Å; P262-L273 WeakPolarHBondContact O-CD1 3.44Å
263	V	60.3	Low	76.7	Confident	15 Å²	15	24.5 Å²	24.5	9%	0.091	13%	0.132	C	C	.	.			trans	-134.6	111.7	-177.3	-177.7	0	0	0	0	109.8	T261 L270 E554	T261-V263 PolarHBondContact O-N 3.38Å; V263-L270 HydrophobicContact CG2-CB 4.39Å; V263-L270 HydrophobicContact CG2-CD1 4.04Å; V263-E554 WeakPolarHBondContact O-CG 3.47Å
264	Q	54.2	Low	76.2	Confident	60 Å²	60	21.2 Å²	21.2	28%	0.28	11%	0.109	S	C	.	.	S	Bend	trans	-107.5	73.6	170.2	-67.4	-173.2	-1.4	0	0	109.8	T261 N266	T261-Q264 PolarHBondContact OG1-NE2 2.8Å; Q264-N266 PolarHBondContact O-N 3.24Å
265	N	56.6	Low	76	Confident	60 Å²	60	21.3 Å²	21.3	32%	0.321	11%	0.109	S	C	.	.	S	Bend	trans	74.8	-3.7	162.7	-49.1	-69.9	0	0	0	119.1	K550	N265-K550 VanDerWaalsContact OD1-CB 3.24Å; N265-K550 WeakPolarHBondContact OD1-CB 3.41Å; N265-K550 PolarHBondContact OD1-O 2.98Å
266	N	64	Low	75.6	Confident	66 Å²	66	20.1 Å²	20.1	35%	0.353	11%	0.105	S	C	.	.			trans	-131.6	128	175.8	-168.6	-9.4	0	0	0	111.1	Q264 E268 E269 L270	Q264-N266 PolarHBondContact O-N 3.24Å; N266-E268 PolarHBondContact O-N 3.44Å; N266-E268 WeakPolarHBondContact OD1-CB 3.49Å; N266-E268 WeakPolarHBondContact OD1-CG 3.3Å; N266-E268 PolarHBondContact OD1-N 3Å; N266-E269 HydrophobicContact CB-CG 4.09Å; N266-E269 WeakPolarHBondContact O-CA 3.43Å; N266-E269 VanDerWaalsContact O-CB 3.26Å; N266-E269 WeakPolarHBondContact O-CB 3.42Å; N266-E269 PolarHBondContact O-N 2.88Å; N266-L270 PolarHBondContact O-N 3.17Å
267	I	69	Low	75.1	Confident	39 Å²	39	20 Å²	20	20%	0.2	10%	0.104	C	C	.	.	H	α-helix	trans	-61.2	-29	175.4	-77.3	165	0	0	0	111	E269 L270 W271 F288 F292 F294	I267-E269 VanDerWaalsContact C-N 3.26Å; I267-E269 PolarHBondContact O-N 3.42Å; I267-L270 PolarHBondContact O-N 2.9Å; I267-W271 PolarHBondContact O-N 3Å; I267-F288 HydrophobicContact CG2-CD1 3.83Å; I267-F288 HydrophobicContact CG2-CE1 3.37Å; I267-F288 HydrophobicContact CG2-CZ 4.41Å; I267-F288 WeakPolarHBondContact O-CE1 3.06Å; I267-F292 HydrophobicContact CB-CB 4.44Å; I267-F292 HydrophobicContact CD1-CB 4.14Å; I267-F292 WeakPolarHBondContact CD1-O 3.43Å; I267-F292 HydrophobicContact CG2-CB 3.24Å; I267-F292 HydrophobicContact CG2-CG 4.17Å; I267-F294 HydrophobicContact CD1-CD2 3.49Å; I267-F294 VanDerWaalsContact CD1-CD2 3.49Å; I267-F294 HydrophobicContact CD1-CE2 4.04Å
268	E	73.1	Confident	74.5	Confident	59 Å²	59	20.7 Å²	20.7	28%	0.276	11%	0.108	S	C	.	.	H	α-helix	trans	-61.6	-33.3	169.3	-61.7	-171.6	-149.2	0	0	113.1	N266 S272 K285 K289	N266-E268 PolarHBondContact O-N 3.44Å; N266-E268 WeakPolarHBondContact OD1-CB 3.49Å; N266-E268 WeakPolarHBondContact OD1-CG 3.3Å; N266-E268 PolarHBondContact OD1-N 3Å; E268-S272 WeakPolarHBondContact O-CB 3.33Å; E268-S272 PolarHBondContact O-N 3.23Å; E268-S272 PolarHBondContact O-OG 3.39Å; E268-K285 IonicContact OE2-NZ 3.52Å; E268-K289 HydrophobicContact CG-CD 4.34Å; E268-K289 HydrophobicContact CG-CG 4.28Å; E268-K289 VanDerWaalsContact OE1-CE 3.28Å; E268-K289 WeakPolarHBondContact OE1-CE 3.24Å; E268-K289 IonicContact OE1-NZ 2.65Å; E268-K289 PolarHBondContact OE1-NZ 3.4Å; E268-K289 WeakPolarHBondContact OE2-CE 3.33Å; E268-K289 IonicContact OE2-NZ 2.91Å; E268-K289 PolarHBondContact OE2-NZ 2.79Å
269	E	74.7	Confident	74	Confident	23 Å²	23	22.9 Å²	22.9	11%	0.107	12%	0.122	C	C	.	.	H	α-helix	trans	-70.2	-41.9	175.6	-65.1	-176.2	173.9	0	0	110.2	K237 N266 I267 S272 L273	K237-E269 HydrophobicContact CB-CB 4.06Å; K237-E269 HydrophobicContact CB-CG 3.83Å; K237-E269 HydrophobicContact CD-CG 4.42Å; K237-E269 WeakPolarHBondContact CD-OE1 3.4Å; K237-E269 VanDerWaalsContact CE-OE1 3.26Å; K237-E269 WeakPolarHBondContact CE-OE1 3.33Å; K237-E269 HydrophobicContact CG-CG 4.22Å; K237-E269 IonicContact NZ-OE1 3.64Å; K237-E269 PolarHBondContact NZ-OE1 3.46Å; K237-E269 IonicContact NZ-OE2 2.72Å; N266-E269 HydrophobicContact CB-CG 4.09Å; N266-E269 WeakPolarHBondContact O-CA 3.43Å; N266-E269 VanDerWaalsContact O-CB 3.26Å; N266-E269 WeakPolarHBondContact O-CB 3.42Å; N266-E269 PolarHBondContact O-N 2.88Å; I267-E269 VanDerWaalsContact C-N 3.26Å; I267-E269 PolarHBondContact O-N 3.42Å; E269-S272 WeakPolarHBondContact O-CB 3.39Å; E269-S272 PolarHBondContact O-N 3.02Å; E269-S272 VanDerWaalsContact O-N 3.16Å; E269-L273 WeakPolarHBondContact O-CG 3.43Å; E269-L273 PolarHBondContact O-N 3.5Å
270	L	75.2	Confident	73.5	Confident	20 Å²	20	31 Å²	31	11%	0.105	16%	0.16	C	C	.	.	H	α-helix	trans	-60.1	-49.2	174.6	179.1	60.3	0	0	0	110.9	V263 N266 I267 S272 L273 L274 L320	V263-L270 HydrophobicContact CG2-CB 4.39Å; V263-L270 HydrophobicContact CG2-CD1 4.04Å; N266-L270 PolarHBondContact O-N 3.17Å; I267-L270 PolarHBondContact O-N 2.9Å; L270-S272 PolarHBondContact O-N 3.23Å; L270-L273 PolarHBondContact O-N 2.98Å; L270-L274 HydrophobicContact CD1-CD1 3.95Å; L270-L274 HydrophobicContact CD1-CG 4.04Å; L270-L274 HydrophobicContact CD2-CD1 4.46Å; L270-L274 HydrophobicContact CG-CD1 3.79Å; L270-L274 HydrophobicContact CG-CG 4.3Å; L270-L274 WeakPolarHBondContact O-CB 3.31Å; L270-L274 VanDerWaalsContact O-CG 3.29Å; L270-L274 WeakPolarHBondContact O-CG 3.49Å; L270-L274 PolarHBondContact O-N 2.87Å; L270-L320 HydrophobicContact CD1-CD1 4.44Å; L270-L320 HydrophobicContact CD2-CD1 4.34Å
271	W	79.9	Confident	73.3	Confident	17 Å²	17	31.9 Å²	31.9	6%	0.064	16%	0.163	C	C	.	.	H	α-helix	trans	-55.4	-42.4	173.5	179.7	83.1	0	0	0	112.1	I267 L273 L274 N275 F282 D284 K285 F288	I267-W271 PolarHBondContact O-N 3Å; W271-L273 VanDerWaalsContact C-N 3.28Å; W271-L273 PolarHBondContact O-N 3.45Å; W271-L274 PolarHBondContact O-N 3.38Å; W271-N275 HydrophobicContact CD2-CB 4.38Å; W271-N275 HydrophobicContact CH2-CB 4.45Å; W271-N275 HydrophobicContact CZ2-CB 4.15Å; W271-N275 VanDerWaalsContact O-CB 3.3Å; W271-N275 WeakPolarHBondContact O-CB 3.42Å; W271-N275 PolarHBondContact O-N 2.95Å; W271-F282 PolarHBondContact NE1-O 3.45Å; W271-D284 PolarHBondContact NE1-O 3.07Å; W271-K285 HydrophobicContact CD2-CB 4.38Å; W271-K285 HydrophobicContact CD2-CG 4.18Å; W271-K285 HydrophobicContact CE3-CB 4.48Å; W271-K285 HydrophobicContact CE3-CD 4.31Å; W271-K285 HydrophobicContact CE3-CG 4.01Å; W271-K285 HydrophobicContact CH2-CB 3.65Å; W271-K285 HydrophobicContact CH2-CD 4.1Å; W271-K285 HydrophobicContact CH2-CG 3.95Å; W271-K285 HydrophobicContact CZ2-CB 3.52Å; W271-K285 HydrophobicContact CZ2-CG 4.12Å; W271-K285 HydrophobicContact CZ3-CB 4.14Å; W271-K285 HydrophobicContact CZ3-CD 3.86Å; W271-K285 HydrophobicContact CZ3-CG 3.9Å; W271-F288 HydrophobicContact CB-CD1 3.53Å; W271-F288 HydrophobicContact CB-CE1 3.61Å; W271-F288 HydrophobicContact CB-CG 4.04Å; W271-F288 HydrophobicContact CB-CZ 4.21Å; W271-F288 VanDerWaalsContact CD1-CB 3.45Å; W271-F288 AromaticContact CD1-CD1 3.8Å; W271-F288 AromaticContact CD1-CD2 3.67Å; W271-F288 AromaticContact CD1-CG 3.36Å; W271-F288 HydrophobicContact CG-CB 4.22Å; W271-F288 AromaticContact CG-CD1 3.95Å; W271-F288 HydrophobicContact CG-CD1 3.95Å; W271-F288 HydrophobicContact CG-CE1 4.42Å; W271-F288 AromaticContact CG-CG 3.98Å; W271-F288 HydrophobicContact CG-CG 3.98Å
272	S	81.8	Confident	73.6	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.8	-39	-178	-63.4	0	0	0	0	112	K237 S239 R244 E268 E269 L270 F276	K237-S272 VanDerWaalsContact O-CB 3.26Å; K237-S272 WeakPolarHBondContact O-CB 3.4Å; K237-S272 PolarHBondContact O-OG 3.3Å; S239-S272 WeakPolarHBondContact CA-OG 3.49Å; S239-S272 VanDerWaalsContact CB-OG 3.32Å; S239-S272 WeakPolarHBondContact CB-OG 3.49Å; S239-S272 PolarHBondContact N-OG 2.99Å; R244-S272 PolarHBondContact NE-O 3.26Å; R244-S272 PolarHBondContact NH2-O 3.03Å; E268-S272 WeakPolarHBondContact O-CB 3.33Å; E268-S272 PolarHBondContact O-N 3.23Å; E268-S272 PolarHBondContact O-OG 3.39Å; E269-S272 WeakPolarHBondContact O-CB 3.39Å; E269-S272 PolarHBondContact O-N 3.02Å; E269-S272 VanDerWaalsContact O-N 3.16Å; L270-S272 PolarHBondContact O-N 3.23Å; S272-F276 PolarHBondContact O-N 3.44Å
273	L	81.4	Confident	74.2	Confident	7 Å²	7	34.5 Å²	34.5	4%	0.037	18%	0.181	C	C	.	.	H	α-helix	trans	-70.8	-47.6	174.3	-65	172.4	0	0	0	111.3	G233 I236 L257 P262 E269 L270 W271 F276 V277	G233-L273 WeakPolarHBondContact O-CD2 3.32Å; I236-L273 HydrophobicContact CD1-CD2 3.94Å; I236-L273 HydrophobicContact CG1-CD2 3.81Å; L257-L273 HydrophobicContact CD1-CB 4.37Å; L257-L273 HydrophobicContact CD1-CD2 4Å; P262-L273 WeakPolarHBondContact O-CD1 3.44Å; E269-L273 WeakPolarHBondContact O-CG 3.43Å; E269-L273 PolarHBondContact O-N 3.5Å; L270-L273 PolarHBondContact O-N 2.98Å; W271-L273 VanDerWaalsContact C-N 3.28Å; W271-L273 PolarHBondContact O-N 3.45Å; L273-F276 WeakPolarHBondContact O-CB 3.24Å; L273-F276 PolarHBondContact O-N 3.45Å; L273-F276 VanDerWaalsContact O-N 3.09Å; L273-V277 WeakPolarHBondContact O-CG2 3.43Å; L273-V277 PolarHBondContact O-N 2.82Å; L273-V277 VanDerWaalsContact O-N 3.16Å
274	L	80.6	Confident	74.8	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.4	-44.4	-179.5	-68	174.6	0	0	0	112.5	I120 L270 W271 F276 V277 M278 F282 F288 L320 I324	I120-L274 HydrophobicContact CD1-CD2 4.38Å; L270-L274 HydrophobicContact CD1-CD1 3.95Å; L270-L274 HydrophobicContact CD1-CG 4.04Å; L270-L274 HydrophobicContact CD2-CD1 4.46Å; L270-L274 HydrophobicContact CG-CD1 3.79Å; L270-L274 HydrophobicContact CG-CG 4.3Å; L270-L274 WeakPolarHBondContact O-CB 3.31Å; L270-L274 VanDerWaalsContact O-CG 3.29Å; L270-L274 WeakPolarHBondContact O-CG 3.49Å; L270-L274 PolarHBondContact O-N 2.87Å; W271-L274 PolarHBondContact O-N 3.38Å; L274-F276 PolarHBondContact O-N 2.9Å; L274-V277 PolarHBondContact O-N 3.17Å; L274-M278 PolarHBondContact O-N 3.19Å; L274-F282 HydrophobicContact CB-CD2 3.76Å; L274-F282 HydrophobicContact CB-CE2 3.91Å; L274-F282 HydrophobicContact CB-CG 4.07Å; L274-F282 HydrophobicContact CB-CZ 4.36Å; L274-F282 HydrophobicContact CD1-CE1 4.13Å; L274-F282 HydrophobicContact CD1-CE2 4.27Å; L274-F282 HydrophobicContact CD1-CZ 3.95Å; L274-F282 HydrophobicContact CD2-CE2 4.47Å; L274-F282 HydrophobicContact CG-CE2 4.45Å; L274-F288 HydrophobicContact CD1-CZ 4.47Å; L274-L320 HydrophobicContact CD1-CD1 4.15Å; L274-L320 HydrophobicContact CD1-CD2 3.68Å; L274-L320 HydrophobicContact CD2-CD2 3.45Å; L274-L320 VanDerWaalsContact CD2-CD2 3.45Å; L274-L320 HydrophobicContact CG-CD2 4.21Å; L274-I324 HydrophobicContact CD2-CD1 4.41Å
275	N	85.6	Confident	75.9	Confident	3 Å²	3	36 Å²	36	2%	0.016	19%	0.189	C	C	.	.	H	α-helix	trans	-65.2	-22.8	174.5	175.6	-99	0	0	0	112.8	R244 K248 W271 P279 F282	R244-N275 VanDerWaalsContact NH2-CB 3.31Å; R244-N275 VanDerWaalsContact NH2-CG 3.33Å; R244-N275 PolarHBondContact NH2-OD1 3.01Å; K248-N275 PolarHBondContact NZ-OD1 2.68Å; W271-N275 HydrophobicContact CD2-CB 4.38Å; W271-N275 HydrophobicContact CH2-CB 4.45Å; W271-N275 HydrophobicContact CZ2-CB 4.15Å; W271-N275 VanDerWaalsContact O-CB 3.3Å; W271-N275 WeakPolarHBondContact O-CB 3.42Å; W271-N275 PolarHBondContact O-N 2.95Å; N275-P279 VanDerWaalsContact O-CA 3.24Å; N275-P279 WeakPolarHBondContact O-CA 3.36Å; N275-P279 WeakPolarHBondContact O-CB 3.31Å; N275-F282 HydrophobicContact CB-CB 4.09Å; N275-F282 WeakPolarHBondContact CB-O 3.33Å; N275-F282 PolarHBondContact ND2-O 2.92Å
276	F	84.9	Confident	76.7	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-73.9	-41.4	174.1	179.1	-95.1	0	0	0	111.8	L228 L230 I236 M247 R255 L257 S272 L273 L274	L228-F276 HydrophobicContact CD2-CZ 4.16Å; L230-F276 HydrophobicContact CD1-CD1 4.48Å; L230-F276 HydrophobicContact CD1-CE1 3.64Å; L230-F276 HydrophobicContact CD1-CE2 4.22Å; L230-F276 HydrophobicContact CD1-CZ 3.49Å; L230-F276 VanDerWaalsContact CD1-CZ 3.49Å; L230-F276 HydrophobicContact CG-CE1 4.32Å; L230-F276 HydrophobicContact CG-CZ 4.29Å; I236-F276 HydrophobicContact CD1-CB 4Å; I236-F276 HydrophobicContact CD1-CD1 3.86Å; I236-F276 HydrophobicContact CD1-CD2 4.18Å; I236-F276 HydrophobicContact CD1-CE1 4.41Å; I236-F276 HydrophobicContact CD1-CG 3.71Å; M247-F276 HydrophobicContact CB-CE2 3.61Å; M247-F276 HydrophobicContact CB-CZ 4.16Å; R255-F276 HydrophobicContact CB-CE1 4.28Å; R255-F276 HydrophobicContact CG-CE1 4.43Å; R255-F276 PolarHBondContact NH1-O 3.34Å; L257-F276 HydrophobicContact CD1-CD1 3.95Å; L257-F276 HydrophobicContact CD2-CD1 3.67Å; L257-F276 HydrophobicContact CD2-CE1 3.6Å; L257-F276 HydrophobicContact CG-CD1 3.99Å; L257-F276 HydrophobicContact CG-CE1 4.25Å; S272-F276 PolarHBondContact O-N 3.44Å; L273-F276 WeakPolarHBondContact O-CB 3.24Å; L273-F276 PolarHBondContact O-N 3.45Å; L273-F276 VanDerWaalsContact O-N 3.09Å; L274-F276 PolarHBondContact O-N 2.9Å
277	V	83.7	Confident	76.9	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.006	19%	0.194	C	C	.	.	H	α-helix	trans	-75.8	-42.6	179.7	178.5	0	0	0	0	110.6	N118 I120 L257 L273 L274	N118-V277 HydrophobicContact CB-CB 4.35Å; N118-V277 HydrophobicContact CB-CG1 3.43Å; N118-V277 VanDerWaalsContact CB-CG1 3.43Å; N118-V277 WeakPolarHBondContact CB-O 3.48Å; N118-V277 PolarHBondContact ND2-O 3.22Å; I120-V277 HydrophobicContact CD1-CG2 3.96Å; I120-V277 HydrophobicContact CG1-CG2 3.72Å; L257-V277 HydrophobicContact CD1-CG2 3.43Å; L257-V277 VanDerWaalsContact CD1-CG2 3.43Å; L257-V277 HydrophobicContact CG-CG2 3.85Å; L273-V277 WeakPolarHBondContact O-CG2 3.43Å; L273-V277 PolarHBondContact O-N 2.82Å; L273-V277 VanDerWaalsContact O-N 3.16Å; L274-V277 PolarHBondContact O-N 3.17Å
278	M	79.5	Confident	76.9	Confident	15 Å²	15	36.6 Å²	36.6	7%	0.074	19%	0.186	C	C	.	.			trans	-134.4	78.2	-177.1	-68.1	180	-80.2	0	0	110.6	F50 L274 E280 L281 F282 F323	F50-M278 HydrophobicContact CE1-SD 3.85Å; F50-M278 HydrophobicContact CZ-SD 4.4Å; L274-M278 PolarHBondContact O-N 3.19Å; M278-E280 PolarHBondContact O-N 3.11Å; M278-L281 HydrophobicContact CB-CB 4.41Å; M278-F282 HydrophobicContact CB-CD2 4.2Å; M278-F282 HydrophobicContact CE-CD2 4.44Å; M278-F282 HydrophobicContact CE-CE2 3.8Å; M278-F282 PolarHBondContact O-N 3.26Å; M278-F323 HydrophobicContact CE-CB 3.95Å; M278-F323 HydrophobicContact CE-CD1 3.6Å; M278-F323 HydrophobicContact CE-CD2 3.4Å; M278-F323 HydrophobicContact CE-CE1 3.92Å; M278-F323 HydrophobicContact CE-CE2 3.72Å; M278-F323 HydrophobicContact CE-CG 3.33Å; M278-F323 HydrophobicContact CE-CZ 3.97Å; M278-F323 HydrophobicContact CG-CE1 4.39Å; M278-F323 HydrophobicContact SD-CD1 3.54Å; M278-F323 VanDerWaalsContact SD-CD1 3.54Å; M278-F323 HydrophobicContact SD-CD2 3.93Å; M278-F323 HydrophobicContact SD-CE1 3.24Å; M278-F323 WeakPolarHBondContact SD-CE1 2.98Å; M278-F323 HydrophobicContact SD-CE2 3.64Å; M278-F323 HydrophobicContact SD-CG 3.87Å; M278-F323 HydrophobicContact SD-CZ 3.3Å; M278-F323 WeakPolarHBondContact SD-CZ 3.41Å
279	P	79.9	Confident	76.8	Confident	45 Å²	45	37.3 Å²	37.3	29%	0.292	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-26	179.2	25.3	-33.7	0	0	0	113.2	N275	N275-P279 VanDerWaalsContact O-CA 3.24Å; N275-P279 WeakPolarHBondContact O-CA 3.36Å; N275-P279 WeakPolarHBondContact O-CB 3.31Å
280	E	74.7	Confident	76.3	Confident	175 Å²	175	42.2 Å²	42.2	82%	0.818	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-44.5	-178.4	-62.7	-175.6	174.9	0	0	112.4	M278	M278-E280 PolarHBondContact O-N 3.11Å
281	L	71.7	Confident	75.6	Confident	22 Å²	22	43.2 Å²	43.2	12%	0.115	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-41.1	-178.9	-168	67.5	0	0	0	111.8	Y43 F50 M278	Y43-L281 PolarHBondContact OH-O 3.31Å; F50-L281 HydrophobicContact CB-CD1 4.08Å; F50-L281 HydrophobicContact CD1-CD1 4.06Å; F50-L281 HydrophobicContact CD1-CD2 3.59Å; F50-L281 HydrophobicContact CD1-CG 4.35Å; F50-L281 HydrophobicContact CE1-CD2 3.88Å; F50-L281 HydrophobicContact CG-CD1 4.01Å; F50-L281 HydrophobicContact CG-CD2 4.37Å; M278-L281 HydrophobicContact CB-CB 4.41Å
282	F	74.2	Confident	74.7	Confident	10 Å²	10	43.2 Å²	43.2	4%	0.044	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	46.2	-172.1	-64.4	-77.6	0	0	0	112.9	W271 L274 N275 M278 F288 L320	W271-F282 PolarHBondContact NE1-O 3.45Å; L274-F282 HydrophobicContact CB-CD2 3.76Å; L274-F282 HydrophobicContact CB-CE2 3.91Å; L274-F282 HydrophobicContact CB-CG 4.07Å; L274-F282 HydrophobicContact CB-CZ 4.36Å; L274-F282 HydrophobicContact CD1-CE1 4.13Å; L274-F282 HydrophobicContact CD1-CE2 4.27Å; L274-F282 HydrophobicContact CD1-CZ 3.95Å; L274-F282 HydrophobicContact CD2-CE2 4.47Å; L274-F282 HydrophobicContact CG-CE2 4.45Å; N275-F282 HydrophobicContact CB-CB 4.09Å; N275-F282 WeakPolarHBondContact CB-O 3.33Å; N275-F282 PolarHBondContact ND2-O 2.92Å; M278-F282 HydrophobicContact CB-CD2 4.2Å; M278-F282 HydrophobicContact CE-CD2 4.44Å; M278-F282 HydrophobicContact CE-CE2 3.8Å; M278-F282 PolarHBondContact O-N 3.26Å; F282-F288 HydrophobicContact CD1-CD2 4.11Å; F282-F288 HydrophobicContact CD1-CE2 4.1Å; F282-F288 HydrophobicContact CE1-CD2 4.33Å; F282-F288 AromaticContact CE1-CE2 3.96Å; F282-F288 HydrophobicContact CE1-CE2 3.96Å; F282-L320 HydrophobicContact CZ-CD2 4.27Å
283	S	73.4	Confident	73.6	Confident	87 Å²	87	48.9 Å²	48.9	61%	0.608	24%	0.244	S	C	*	.			trans	-70.8	-35.1	-175.8	51.2	0	0	0	0	113.7
284	D	73.3	Confident	72.3	Confident	68 Å²	68	50 Å²	50	36%	0.364	25%	0.249	S	C	.	.			trans	-93	121.3	-173.4	-164.9	-33.8	0	0	0	111.4	W271 E286 W287	W271-D284 PolarHBondContact NE1-O 3.07Å; D284-E286 PolarHBondContact OD1-N 2.6Å; D284-E286 VanDerWaalsContact OD1-N 3.09Å; D284-W287 HydrophobicContact CB-CB 3.86Å; D284-W287 WeakPolarHBondContact OD1-CB 3.42Å; D284-W287 PolarHBondContact OD1-N 3.37Å
285	K	76.3	Confident	70.9	Confident	39 Å²	39	51.2 Å²	51.2	17%	0.17	26%	0.261	C	S	.	.	H	α-helix	trans	-86.5	-43.6	179.9	-173.5	179.9	172.6	-175.5	0	110.4	S239 D240 E268 W271 W287 F288 K289	S239-K285 PolarHBondContact OG-NZ 3.34Å; D240-K285 IonicContact OD1-NZ 3.07Å; E268-K285 IonicContact OE2-NZ 3.52Å; W271-K285 HydrophobicContact CD2-CB 4.38Å; W271-K285 HydrophobicContact CD2-CG 4.18Å; W271-K285 HydrophobicContact CE3-CB 4.48Å; W271-K285 HydrophobicContact CE3-CD 4.31Å; W271-K285 HydrophobicContact CE3-CG 4.01Å; W271-K285 HydrophobicContact CH2-CB 3.65Å; W271-K285 HydrophobicContact CH2-CD 4.1Å; W271-K285 HydrophobicContact CH2-CG 3.95Å; W271-K285 HydrophobicContact CZ2-CB 3.52Å; W271-K285 HydrophobicContact CZ2-CG 4.12Å; W271-K285 HydrophobicContact CZ3-CB 4.14Å; W271-K285 HydrophobicContact CZ3-CD 3.86Å; W271-K285 HydrophobicContact CZ3-CG 3.9Å; K285-W287 VanDerWaalsContact C-N 3.33Å; K285-F288 PolarHBondContact O-N 3.01Å; K285-K289 VanDerWaalsContact CE-CE 3.44Å; K285-K289 WeakPolarHBondContact O-CG 3.31Å; K285-K289 PolarHBondContact O-N 2.88Å
286	E	73	Confident	68.9	Low	143 Å²	143	55.4 Å²	55.4	67%	0.668	29%	0.29	S	S	*	.	H	α-helix	trans	-60.4	-46	-179.6	-69.6	80.2	-165.5	0	0	110.5	D284 F288 K289 E290	D284-E286 PolarHBondContact OD1-N 2.6Å; D284-E286 VanDerWaalsContact OD1-N 3.09Å; E286-F288 VanDerWaalsContact C-N 3.34Å; E286-F288 PolarHBondContact O-N 2.87Å; E286-K289 PolarHBondContact O-N 3.35Å; E286-K289 VanDerWaalsContact O-N 3.16Å; E286-E290 PolarHBondContact O-N 2.89Å
287	W	68.4	Low	67.2	Low	31 Å²	31	56.9 Å²	56.9	12%	0.117	30%	0.299	C	S	.	.	H	α-helix	trans	-60.3	-44	177.6	-174	89	0	0	0	111.8	Y43 D284 K285 K289 E290 Y291 F292	Y43-W287 HydrophobicContact CD1-CD2 4.5Å; Y43-W287 HydrophobicContact CD1-CE3 4.08Å; Y43-W287 AromaticContact CD1-CH2 2.9Å; Y43-W287 HydrophobicContact CD1-CH2 2.9Å; Y43-W287 AromaticContact CD1-CZ2 3.37Å; Y43-W287 HydrophobicContact CD1-CZ2 3.37Å; Y43-W287 AromaticContact CD1-CZ3 3.3Å; Y43-W287 HydrophobicContact CD1-CZ3 3.3Å; Y43-W287 AromaticContact CD2-CD2 3.91Å; Y43-W287 HydrophobicContact CD2-CD2 3.91Å; Y43-W287 AromaticContact CD2-CE2 3.81Å; Y43-W287 AromaticContact CD2-CE3 3.96Å; Y43-W287 HydrophobicContact CD2-CE3 3.96Å; Y43-W287 HydrophobicContact CD2-CH2 4.02Å; Y43-W287 AromaticContact CD2-CZ2 3.89Å; Y43-W287 HydrophobicContact CD2-CZ2 3.89Å; Y43-W287 HydrophobicContact CD2-CZ3 4.03Å; Y43-W287 AromaticContact CE1-CE3 3.8Å; Y43-W287 HydrophobicContact CE1-CE3 3.8Å; Y43-W287 AromaticContact CE1-CH2 3.24Å; Y43-W287 HydrophobicContact CE1-CH2 3.24Å; Y43-W287 HydrophobicContact CE1-CZ2 4.07Å; Y43-W287 AromaticContact CE1-CZ3 3.05Å; Y43-W287 HydrophobicContact CE1-CZ3 3.05Å; Y43-W287 HydrophobicContact CE2-CD2 4.05Å; Y43-W287 AromaticContact CE2-CE3 3.7Å; Y43-W287 HydrophobicContact CE2-CE3 3.7Å; Y43-W287 HydrophobicContact CE2-CH2 4.3Å; Y43-W287 AromaticContact CE2-CZ3 3.85Å; Y43-W287 HydrophobicContact CE2-CZ3 3.85Å; Y43-W287 HydrophobicContact CG-CD2 4.13Å; Y43-W287 AromaticContact CG-CE2 3.64Å; Y43-W287 HydrophobicContact CG-CE3 4.12Å; Y43-W287 AromaticContact CG-CH2 3.32Å; Y43-W287 HydrophobicContact CG-CH2 3.32Å; Y43-W287 AromaticContact CG-CZ2 3.23Å; Y43-W287 HydrophobicContact CG-CZ2 3.23Å; Y43-W287 AromaticContact CG-CZ3 3.76Å; Y43-W287 HydrophobicContact CG-CZ3 3.76Å; Y43-W287 AromaticContact CZ-CE3 3.6Å; Y43-W287 AromaticContact CZ-CH2 3.94Å; Y43-W287 AromaticContact CZ-CZ3 3.35Å; D284-W287 HydrophobicContact CB-CB 3.86Å; D284-W287 WeakPolarHBondContact OD1-CB 3.42Å; D284-W287 PolarHBondContact OD1-N 3.37Å; K285-W287 VanDerWaalsContact C-N 3.33Å; W287-K289 VanDerWaalsContact C-N 3.34Å; W287-K289 PolarHBondContact O-N 3.29Å; W287-E290 PolarHBondContact O-N 3.16Å; W287-Y291 HydrophobicContact CD2-CD2 4Å; W287-Y291 HydrophobicContact CD2-CE2 4.49Å; W287-Y291 AromaticContact CE2-CD2 3.47Å; W287-Y291 VanDerWaalsContact CE2-CD2 3.47Å; W287-Y291 AromaticContact CE2-CE2 3.64Å; W287-Y291 HydrophobicContact CG-CD2 4.42Å; W287-Y291 AromaticContact CH2-CD2 3.99Å; W287-Y291 HydrophobicContact CH2-CD2 3.99Å; W287-Y291 AromaticContact CH2-CG 3.98Å; W287-Y291 HydrophobicContact CH2-CG 3.98Å; W287-Y291 HydrophobicContact CZ2-CD1 4.38Å; W287-Y291 AromaticContact CZ2-CD2 3.47Å; W287-Y291 HydrophobicContact CZ2-CD2 3.47Å; W287-Y291 VanDerWaalsContact CZ2-CD2 3.47Å; W287-Y291 AromaticContact CZ2-CE2 3.72Å; W287-Y291 HydrophobicContact CZ2-CE2 3.72Å; W287-Y291 AromaticContact CZ2-CG 3.84Å; W287-Y291 HydrophobicContact CZ2-CG 3.84Å; W287-Y291 AromaticContact NE1-CD2 3.73Å; W287-Y291 AromaticContact NE1-CE2 3.46Å; W287-Y291 WeakPolarHBondContact O-CD2 3.32Å; W287-Y291 PolarHBondContact O-N 2.98Å; W287-F292 HydrophobicContact CZ3-CE2 4.32Å
288	F	69.1	Low	65.5	Low	4 Å²	4	62 Å²	62	2%	0.018	32%	0.324	C	S	.	.	H	α-helix	trans	-64.3	-39.3	177.5	-164.9	-89.5	0	0	0	111.5	I267 W271 L274 F282 K285 E286 F292	I267-F288 HydrophobicContact CG2-CD1 3.83Å; I267-F288 HydrophobicContact CG2-CE1 3.37Å; I267-F288 HydrophobicContact CG2-CZ 4.41Å; I267-F288 WeakPolarHBondContact O-CE1 3.06Å; W271-F288 HydrophobicContact CB-CD1 3.53Å; W271-F288 HydrophobicContact CB-CE1 3.61Å; W271-F288 HydrophobicContact CB-CG 4.04Å; W271-F288 HydrophobicContact CB-CZ 4.21Å; W271-F288 VanDerWaalsContact CD1-CB 3.45Å; W271-F288 AromaticContact CD1-CD1 3.8Å; W271-F288 AromaticContact CD1-CD2 3.67Å; W271-F288 AromaticContact CD1-CG 3.36Å; W271-F288 HydrophobicContact CG-CB 4.22Å; W271-F288 AromaticContact CG-CD1 3.95Å; W271-F288 HydrophobicContact CG-CD1 3.95Å; W271-F288 HydrophobicContact CG-CE1 4.42Å; W271-F288 AromaticContact CG-CG 3.98Å; W271-F288 HydrophobicContact CG-CG 3.98Å; L274-F288 HydrophobicContact CD1-CZ 4.47Å; F282-F288 HydrophobicContact CD1-CD2 4.11Å; F282-F288 HydrophobicContact CD1-CE2 4.1Å; F282-F288 HydrophobicContact CE1-CD2 4.33Å; F282-F288 AromaticContact CE1-CE2 3.96Å; F282-F288 HydrophobicContact CE1-CE2 3.96Å; K285-F288 PolarHBondContact O-N 3.01Å; E286-F288 VanDerWaalsContact C-N 3.34Å; E286-F288 PolarHBondContact O-N 2.87Å; F288-F292 HydrophobicContact CB-CD2 4.39Å; F288-F292 AromaticContact CD1-CD2 3.55Å; F288-F292 HydrophobicContact CD1-CD2 3.55Å; F288-F292 HydrophobicContact CD1-CE2 4.28Å; F288-F292 HydrophobicContact CD1-CG 4.43Å; F288-F292 AromaticContact CD2-CD2 3.49Å; F288-F292 HydrophobicContact CD2-CD2 3.49Å; F288-F292 VanDerWaalsContact CD2-CD2 3.49Å; F288-F292 AromaticContact CD2-CE2 3.34Å; F288-F292 HydrophobicContact CD2-CE2 3.34Å; F288-F292 HydrophobicContact CE1-CB 4.43Å; F288-F292 AromaticContact CE1-CD2 3.56Å; F288-F292 HydrophobicContact CE1-CD2 3.56Å; F288-F292 HydrophobicContact CE1-CE2 4.23Å; F288-F292 HydrophobicContact CE1-CG 4.26Å; F288-F292 AromaticContact CE2-CD2 3.49Å; F288-F292 HydrophobicContact CE2-CD2 3.49Å; F288-F292 VanDerWaalsContact CE2-CD2 3.49Å; F288-F292 AromaticContact CE2-CE2 3.25Å; F288-F292 HydrophobicContact CE2-CE2 3.25Å; F288-F292 HydrophobicContact CE2-CZ 4.28Å; F288-F292 AromaticContact CG-CD2 3.53Å; F288-F292 HydrophobicContact CG-CD2 3.53Å; F288-F292 AromaticContact CG-CE2 3.89Å; F288-F292 HydrophobicContact CG-CE2 3.89Å; F288-F292 AromaticContact CZ-CD2 3.52Å; F288-F292 HydrophobicContact CZ-CD2 3.52Å; F288-F292 AromaticContact CZ-CE2 3.74Å; F288-F292 HydrophobicContact CZ-CE2 3.74Å; F288-F292 HydrophobicContact CZ-CG 4.35Å; F288-F292 VanDerWaalsContact O-CB 3.29Å; F288-F292 WeakPolarHBondContact O-CB 3.42Å; F288-F292 WeakPolarHBondContact O-CD2 3.34Å; F288-F292 PolarHBondContact O-N 2.9Å; F288-F292 VanDerWaalsContact O-N 3.13Å
289	K	71	Confident	64.1	Low	74 Å²	74	71.3 Å²	71.3	32%	0.322	36%	0.358	S	S	.	.	H	α-helix	trans	-65.5	-45.1	176.6	-72.4	-169	-169.5	-151.9	0	112.4	E268 K285 E286 W287 Y291 F292 D293	E268-K289 HydrophobicContact CG-CD 4.34Å; E268-K289 HydrophobicContact CG-CG 4.28Å; E268-K289 VanDerWaalsContact OE1-CE 3.28Å; E268-K289 WeakPolarHBondContact OE1-CE 3.24Å; E268-K289 IonicContact OE1-NZ 2.65Å; E268-K289 PolarHBondContact OE1-NZ 3.4Å; E268-K289 WeakPolarHBondContact OE2-CE 3.33Å; E268-K289 IonicContact OE2-NZ 2.91Å; E268-K289 PolarHBondContact OE2-NZ 2.79Å; K285-K289 VanDerWaalsContact CE-CE 3.44Å; K285-K289 WeakPolarHBondContact O-CG 3.31Å; K285-K289 PolarHBondContact O-N 2.88Å; E286-K289 PolarHBondContact O-N 3.35Å; E286-K289 VanDerWaalsContact O-N 3.16Å; W287-K289 VanDerWaalsContact C-N 3.34Å; W287-K289 PolarHBondContact O-N 3.29Å; K289-Y291 VanDerWaalsContact C-N 3.27Å; K289-Y291 PolarHBondContact O-N 3.3Å; K289-F292 PolarHBondContact O-N 3.13Å; K289-D293 VanDerWaalsContact O-CB 3.29Å; K289-D293 WeakPolarHBondContact O-CB 3.46Å; K289-D293 PolarHBondContact O-N 2.81Å
290	E	65	Low	62.6	Low	126 Å²	126	71.4 Å²	71.4	59%	0.589	36%	0.36	S	S	*	.	H	α-helix	trans	-60.1	-39.3	-177.6	-168.8	179.3	176.6	0	0	111.7	T36 E286 W287	T36-E290 WeakPolarHBondContact CG2-OE1 3.42Å; E286-E290 PolarHBondContact O-N 2.89Å; W287-E290 PolarHBondContact O-N 3.16Å
291	Y	60.8	Low	61.4	Low	41 Å²	41	68.2 Å²	68.2	16%	0.161	36%	0.363	C	S	.	.	H	α-helix	trans	-79.9	-23.2	179.6	-86.7	-83.7	0	0	0	115	T36 A40 W287 K289	T36-Y291 WeakPolarHBondContact CG2-OH 3.01Å; T36-Y291 PolarHBondContact O-OH 3.17Å; A40-Y291 WeakPolarHBondContact CA-OH 3.4Å; A40-Y291 HydrophobicContact CB-CD1 4.45Å; A40-Y291 HydrophobicContact CB-CE1 3.3Å; A40-Y291 WeakPolarHBondContact CB-OH 3.4Å; A40-Y291 PolarHBondContact N-OH 3.04Å; W287-Y291 HydrophobicContact CD2-CD2 4Å; W287-Y291 HydrophobicContact CD2-CE2 4.49Å; W287-Y291 AromaticContact CE2-CD2 3.47Å; W287-Y291 VanDerWaalsContact CE2-CD2 3.47Å; W287-Y291 AromaticContact CE2-CE2 3.64Å; W287-Y291 HydrophobicContact CG-CD2 4.42Å; W287-Y291 AromaticContact CH2-CD2 3.99Å; W287-Y291 HydrophobicContact CH2-CD2 3.99Å; W287-Y291 AromaticContact CH2-CG 3.98Å; W287-Y291 HydrophobicContact CH2-CG 3.98Å; W287-Y291 HydrophobicContact CZ2-CD1 4.38Å; W287-Y291 AromaticContact CZ2-CD2 3.47Å; W287-Y291 HydrophobicContact CZ2-CD2 3.47Å; W287-Y291 VanDerWaalsContact CZ2-CD2 3.47Å; W287-Y291 AromaticContact CZ2-CE2 3.72Å; W287-Y291 HydrophobicContact CZ2-CE2 3.72Å; W287-Y291 AromaticContact CZ2-CG 3.84Å; W287-Y291 HydrophobicContact CZ2-CG 3.84Å; W287-Y291 AromaticContact NE1-CD2 3.73Å; W287-Y291 AromaticContact NE1-CE2 3.46Å; W287-Y291 WeakPolarHBondContact O-CD2 3.32Å; W287-Y291 PolarHBondContact O-N 2.98Å; K289-Y291 VanDerWaalsContact C-N 3.27Å; K289-Y291 PolarHBondContact O-N 3.3Å
292	F	61.1	Low	60.7	Low	17 Å²	17	71.5 Å²	71.5	8%	0.075	38%	0.381	C	S	.	.	H	α-helix	trans	-121.5	4.7	-171.4	-59.5	-58	0	0	0	113.8	I267 W287 F288 K289 F294 I312 I316	I267-F292 HydrophobicContact CB-CB 4.44Å; I267-F292 HydrophobicContact CD1-CB 4.14Å; I267-F292 WeakPolarHBondContact CD1-O 3.43Å; I267-F292 HydrophobicContact CG2-CB 3.24Å; I267-F292 HydrophobicContact CG2-CG 4.17Å; W287-F292 HydrophobicContact CZ3-CE2 4.32Å; F288-F292 HydrophobicContact CB-CD2 4.39Å; F288-F292 AromaticContact CD1-CD2 3.55Å; F288-F292 HydrophobicContact CD1-CD2 3.55Å; F288-F292 HydrophobicContact CD1-CE2 4.28Å; F288-F292 HydrophobicContact CD1-CG 4.43Å; F288-F292 AromaticContact CD2-CD2 3.49Å; F288-F292 HydrophobicContact CD2-CD2 3.49Å; F288-F292 VanDerWaalsContact CD2-CD2 3.49Å; F288-F292 AromaticContact CD2-CE2 3.34Å; F288-F292 HydrophobicContact CD2-CE2 3.34Å; F288-F292 HydrophobicContact CE1-CB 4.43Å; F288-F292 AromaticContact CE1-CD2 3.56Å; F288-F292 HydrophobicContact CE1-CD2 3.56Å; F288-F292 HydrophobicContact CE1-CE2 4.23Å; F288-F292 HydrophobicContact CE1-CG 4.26Å; F288-F292 AromaticContact CE2-CD2 3.49Å; F288-F292 HydrophobicContact CE2-CD2 3.49Å; F288-F292 VanDerWaalsContact CE2-CD2 3.49Å; F288-F292 AromaticContact CE2-CE2 3.25Å; F288-F292 HydrophobicContact CE2-CE2 3.25Å; F288-F292 HydrophobicContact CE2-CZ 4.28Å; F288-F292 AromaticContact CG-CD2 3.53Å; F288-F292 HydrophobicContact CG-CD2 3.53Å; F288-F292 AromaticContact CG-CE2 3.89Å; F288-F292 HydrophobicContact CG-CE2 3.89Å; F288-F292 AromaticContact CZ-CD2 3.52Å; F288-F292 HydrophobicContact CZ-CD2 3.52Å; F288-F292 AromaticContact CZ-CE2 3.74Å; F288-F292 HydrophobicContact CZ-CE2 3.74Å; F288-F292 HydrophobicContact CZ-CG 4.35Å; F288-F292 VanDerWaalsContact O-CB 3.29Å; F288-F292 WeakPolarHBondContact O-CB 3.42Å; F288-F292 WeakPolarHBondContact O-CD2 3.34Å; F288-F292 PolarHBondContact O-N 2.9Å; F288-F292 VanDerWaalsContact O-N 3.13Å; K289-F292 PolarHBondContact O-N 3.13Å; F292-F294 HydrophobicContact CB-CE2 4.02Å; F292-F294 HydrophobicContact CB-CZ 4.47Å; F292-F294 AromaticContact CD1-CE2 3.66Å; F292-F294 HydrophobicContact CD1-CE2 3.66Å; F292-F294 AromaticContact CD1-CZ 3.61Å; F292-F294 HydrophobicContact CD1-CZ 3.61Å; F292-F294 HydrophobicContact CE1-CZ 4.4Å; F292-F294 HydrophobicContact CG-CE2 4.33Å; F292-F294 WeakPolarHBondContact O-CD2 3.41Å; F292-F294 PolarHBondContact O-N 3.19Å; F292-I312 HydrophobicContact CD1-CG2 4.2Å; F292-I312 HydrophobicContact CE1-CG2 3.64Å; F292-I316 HydrophobicContact CD1-CD1 3.42Å; F292-I316 VanDerWaalsContact CD1-CD1 3.42Å; F292-I316 HydrophobicContact CD1-CG1 4.33Å; F292-I316 HydrophobicContact CE1-CD1 2.91Å; F292-I316 HydrophobicContact CE1-CG1 3.35Å; F292-I316 HydrophobicContact CE2-CD1 4.49Å; F292-I316 HydrophobicContact CG-CD1 4.43Å; F292-I316 HydrophobicContact CZ-CD1 3.53Å; F292-I316 HydrophobicContact CZ-CG1 3.54Å
293	D	57.6	Low	60.1	Low	119 Å²	119	75.6 Å²	75.6	64%	0.636	41%	0.407	S	S	*	.			trans	-74.4	70.2	170.6	-162.6	-3.1	0	0	0	110.9	K289 G295	K289-D293 VanDerWaalsContact O-CB 3.29Å; K289-D293 WeakPolarHBondContact O-CB 3.46Å; K289-D293 PolarHBondContact O-N 2.81Å; D293-G295 PolarHBondContact O-N 2.76Å; D293-G295 VanDerWaalsContact O-N 3.12Å; D293-G295 PolarHBondContact OD1-N 3.23Å
294	F	54.1	Low	59.4	Low	30 Å²	30	74.7 Å²	74.7	13%	0.132	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	0.6	175.9	-57.2	-58.6	0	0	0	112.9	I267 F292 C296 V297 M298 C309 I312 V313	I267-F294 HydrophobicContact CD1-CD2 3.49Å; I267-F294 VanDerWaalsContact CD1-CD2 3.49Å; I267-F294 HydrophobicContact CD1-CE2 4.04Å; F292-F294 HydrophobicContact CB-CE2 4.02Å; F292-F294 HydrophobicContact CB-CZ 4.47Å; F292-F294 AromaticContact CD1-CE2 3.66Å; F292-F294 HydrophobicContact CD1-CE2 3.66Å; F292-F294 AromaticContact CD1-CZ 3.61Å; F292-F294 HydrophobicContact CD1-CZ 3.61Å; F292-F294 HydrophobicContact CE1-CZ 4.4Å; F292-F294 HydrophobicContact CG-CE2 4.33Å; F292-F294 WeakPolarHBondContact O-CD2 3.41Å; F292-F294 PolarHBondContact O-N 3.19Å; F294-C296 PolarHBondContact O-N 3.35Å; F294-V297 PolarHBondContact O-N 3.4Å; F294-M298 HydrophobicContact CB-CG 4.4Å; F294-M298 PolarHBondContact O-N 3.31Å; F294-C309 HydrophobicContact CD1-CB 4.11Å; F294-C309 WeakPolarHBondContact CD1-SG 3.3Å; F294-C309 HydrophobicContact CE1-CB 4.11Å; F294-I312 HydrophobicContact CE1-CG2 4.47Å; F294-I312 HydrophobicContact CZ-CB 4.48Å; F294-I312 HydrophobicContact CZ-CG2 3.93Å; F294-V313 HydrophobicContact CE2-CG2 3.91Å; F294-V313 HydrophobicContact CZ-CG2 4.03Å
295	G	52.1	Low	58.5	Low	25 Å²	25	72.7 Å²	72.7	26%	0.258	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-29.3	179.5	0	0	0	0	0	112.5	D293 R299	D293-G295 PolarHBondContact O-N 2.76Å; D293-G295 VanDerWaalsContact O-N 3.12Å; D293-G295 PolarHBondContact OD1-N 3.23Å; G295-R299 VanDerWaalsContact O-CZ 3.29Å; G295-R299 PolarHBondContact O-NE 3.15Å; G295-R299 PolarHBondContact O-NH2 3.31Å
296	C	43.6	Very low	57.6	Low	92 Å²	92	72.9 Å²	72.9	62%	0.622	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-51.8	173	161	0	0	0	0	111.2	F294 M298 R299 S300	F294-C296 PolarHBondContact O-N 3.35Å; C296-M298 PolarHBondContact O-N 3.11Å; C296-R299 PolarHBondContact O-N 3.5Å; C296-R299 VanDerWaalsContact O-N 3.17Å; C296-S300 PolarHBondContact O-N 3.28Å
297	V	48.6	Very low	57	Low	31 Å²	31	71.6 Å²	71.6	19%	0.188	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-35.2	-169.2	-178.4	0	0	0	0	113.3	F294 R299 S300 A305 C309	F294-V297 PolarHBondContact O-N 3.4Å; V297-R299 PolarHBondContact O-N 3.19Å; V297-S300 WeakPolarHBondContact CA-OG 3.44Å; V297-S300 PolarHBondContact O-N 3.44Å; V297-S300 PolarHBondContact O-OG 3.43Å; V297-A305 HydrophobicContact CG1-CB 3.38Å; V297-A305 WeakPolarHBondContact CG1-O 3.39Å; V297-C309 WeakPolarHBondContact CG1-SG 3.43Å
298	M	48.7	Very low	56.6	Low	107 Å²	107	72.4 Å²	72.4	53%	0.527	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-12.7	177.2	-68.5	-66.7	-72.4	0	0	113.4	F294 C296	F294-M298 HydrophobicContact CB-CG 4.4Å; F294-M298 PolarHBondContact O-N 3.31Å; C296-M298 PolarHBondContact O-N 3.11Å
299	R	49.9	Very low	55.9	Low	212 Å²	212	72.9 Å²	72.9	80%	0.8	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-19.7	175.7	-78.2	-175.4	-81.3	-157.8	-4.4	112.9	G295 C296 V297	G295-R299 VanDerWaalsContact O-CZ 3.29Å; G295-R299 PolarHBondContact O-NE 3.15Å; G295-R299 PolarHBondContact O-NH2 3.31Å; C296-R299 PolarHBondContact O-N 3.5Å; C296-R299 VanDerWaalsContact O-N 3.17Å; V297-R299 PolarHBondContact O-N 3.19Å
300	S	47.5	Very low	55.5	Low	46 Å²	46	75.4 Å²	75.4	32%	0.322	42%	0.42	S	S	.	.	S	Bend	trans	-74.7	139	171.9	45.9	0	0	0	0	110.9	C296 V297 D302	C296-S300 PolarHBondContact O-N 3.28Å; V297-S300 WeakPolarHBondContact CA-OG 3.44Å; V297-S300 PolarHBondContact O-N 3.44Å; V297-S300 PolarHBondContact O-OG 3.43Å; S300-D302 PolarHBondContact O-N 2.92Å; S300-D302 VanDerWaalsContact O-N 3.17Å
301	A	49.7	Very low	55.6	Low	108 Å²	108	74.9 Å²	74.9	89%	0.893	42%	0.418	S	S	*	.			trans	-72.8	5.1	172.6	0	0	0	0	0	113.3	T303	A301-T303 PolarHBondContact O-N 2.93Å
302	D	56.5	Low	55.6	Low	91 Å²	91	75.6 Å²	75.6	49%	0.487	42%	0.424	S	S	.	.			trans	-79.6	113.8	-174.5	-158.4	-21.5	0	0	0	110.6	S300 S304 A305 V306	S300-D302 PolarHBondContact O-N 2.92Å; S300-D302 VanDerWaalsContact O-N 3.17Å; D302-S304 VanDerWaalsContact C-N 3.32Å; D302-S304 PolarHBondContact O-N 3.41Å; D302-S304 PolarHBondContact OD1-N 2.83Å; D302-S304 PolarHBondContact OD1-OG 3.27Å; D302-A305 HydrophobicContact CB-CB 4.32Å; D302-A305 PolarHBondContact O-N 2.87Å; D302-V306 PolarHBondContact O-N 2.96Å
303	T	63.3	Low	55.7	Low	97 Å²	97	75.8 Å²	75.8	60%	0.595	43%	0.426	S	S	*	.	H	α-helix	trans	-69.8	-33.8	-171.3	-28.3	0	0	0	0	111.4	A301 A305 V306 E307	A301-T303 PolarHBondContact O-N 2.93Å; T303-A305 PolarHBondContact O-N 2.64Å; T303-V306 PolarHBondContact O-N 2.83Å; T303-E307 PolarHBondContact O-N 2.85Å; T303-E307 VanDerWaalsContact O-N 3.09Å
304	S	58.4	Low	56.2	Low	68 Å²	68	74.5 Å²	74.5	48%	0.476	42%	0.416	S	S	.	.	H	α-helix	trans	-64.5	-39.9	179.8	63.3	0	0	0	0	112.4	D302 E307 A308	D302-S304 VanDerWaalsContact C-N 3.32Å; D302-S304 PolarHBondContact O-N 3.41Å; D302-S304 PolarHBondContact OD1-N 2.83Å; D302-S304 PolarHBondContact OD1-OG 3.27Å; S304-E307 PolarHBondContact O-N 2.94Å; S304-A308 PolarHBondContact O-N 3.07Å
305	A	54.5	Low	56.8	Low	26 Å²	26	79.2 Å²	79.2	22%	0.215	43%	0.433	C	S	.	.	H	α-helix	trans	-68.4	-37.6	178.4	0	0	0	0	0	111.2	V297 D302 T303 C309	V297-A305 HydrophobicContact CG1-CB 3.38Å; V297-A305 WeakPolarHBondContact CG1-O 3.39Å; D302-A305 HydrophobicContact CB-CB 4.32Å; D302-A305 PolarHBondContact O-N 2.87Å; T303-A305 PolarHBondContact O-N 2.64Å; A305-C309 WeakPolarHBondContact O-CB 3.39Å; A305-C309 PolarHBondContact O-N 2.88Å; A305-C309 PolarHBondContact O-SG 3.34Å
306	V	56.3	Low	57.4	Low	43 Å²	43	79.1 Å²	79.1	26%	0.261	43%	0.426	S	S	.	.	H	α-helix	trans	-64.8	-38.8	174.6	177.1	0	0	0	0	111.7	D302 T303 C309 K310	D302-V306 PolarHBondContact O-N 2.96Å; T303-V306 PolarHBondContact O-N 2.83Å; V306-C309 WeakPolarHBondContact O-CB 3.44Å; V306-C309 PolarHBondContact O-N 2.91Å; V306-K310 WeakPolarHBondContact O-CG 3.4Å; V306-K310 PolarHBondContact O-N 3.36Å
307	E	61.5	Low	58.6	Low	115 Å²	115	76.2 Å²	76.2	54%	0.537	40%	0.403	S	S	.	.	H	α-helix	trans	-67.2	-46.7	176.9	-77.5	163.5	-174.7	0	0	112.3	T303 S304 C309 K310 E311	T303-E307 PolarHBondContact O-N 2.85Å; T303-E307 VanDerWaalsContact O-N 3.09Å; S304-E307 PolarHBondContact O-N 2.94Å; E307-C309 PolarHBondContact O-N 3.04Å; E307-K310 WeakPolarHBondContact O-CB 3.31Å; E307-K310 PolarHBondContact O-N 3.01Å; E307-E311 PolarHBondContact O-N 3.41Å; E307-E311 VanDerWaalsContact O-N 3.08Å
308	A	58.5	Low	59.6	Low	49 Å²	49	77.4 Å²	77.4	41%	0.405	41%	0.409	S	S	.	.	H	α-helix	trans	-58.2	-38.3	173.7	0	0	0	0	0	111.9	S304 E311 I312	S304-A308 PolarHBondContact O-N 3.07Å; A308-E311 PolarHBondContact O-N 2.93Å; A308-I312 VanDerWaalsContact O-CG1 3.29Å; A308-I312 WeakPolarHBondContact O-CG1 3.29Å; A308-I312 PolarHBondContact O-N 3.5Å; A308-I312 VanDerWaalsContact O-N 3.07Å
309	C	55.8	Low	60.5	Low	13 Å²	13	73.2 Å²	73.2	9%	0.088	39%	0.389	C	S	.	.	H	α-helix	trans	-62.7	-40.9	173.6	-73.3	0	0	0	0	112.9	F294 V297 A305 V306 E307 I312 V313	F294-C309 HydrophobicContact CD1-CB 4.11Å; F294-C309 WeakPolarHBondContact CD1-SG 3.3Å; F294-C309 HydrophobicContact CE1-CB 4.11Å; V297-C309 WeakPolarHBondContact CG1-SG 3.43Å; A305-C309 WeakPolarHBondContact O-CB 3.39Å; A305-C309 PolarHBondContact O-N 2.88Å; A305-C309 PolarHBondContact O-SG 3.34Å; V306-C309 WeakPolarHBondContact O-CB 3.44Å; V306-C309 PolarHBondContact O-N 2.91Å; E307-C309 PolarHBondContact O-N 3.04Å; C309-I312 PolarHBondContact O-N 2.9Å; C309-V313 WeakPolarHBondContact O-CB 3.35Å; C309-V313 WeakPolarHBondContact O-CG2 3.4Å; C309-V313 PolarHBondContact O-N 3.34Å
310	K	63	Low	61.6	Low	127 Å²	127	63.5 Å²	63.5	55%	0.552	35%	0.352	S	S	*	.	H	α-helix	trans	-61.5	-46.9	176.4	-74.3	177.7	-179.8	177.7	0	111.3	V306 E307 I312 V313 E314	V306-K310 WeakPolarHBondContact O-CG 3.4Å; V306-K310 PolarHBondContact O-N 3.36Å; E307-K310 WeakPolarHBondContact O-CB 3.31Å; E307-K310 PolarHBondContact O-N 3.01Å; K310-I312 VanDerWaalsContact C-N 3.33Å; K310-I312 PolarHBondContact O-N 3.19Å; K310-V313 PolarHBondContact O-N 2.98Å; K310-E314 WeakPolarHBondContact O-CG 3.35Å; K310-E314 PolarHBondContact O-N 3.47Å
311	E	65.5	Low	62.9	Low	116 Å²	116	63.3 Å²	63.3	54%	0.542	35%	0.348	S	S	.	.	H	α-helix	trans	-60.4	-42.1	178.2	-68.9	-169.7	171.6	0	0	112.4	E307 A308 E314 R315	E307-E311 PolarHBondContact O-N 3.41Å; E307-E311 VanDerWaalsContact O-N 3.08Å; A308-E311 PolarHBondContact O-N 2.93Å; E311-E314 PolarHBondContact O-N 3.43Å; E311-R315 WeakPolarHBondContact O-CG 3.49Å; E311-R315 PolarHBondContact O-N 3.47Å
312	I	61.3	Low	64.3	Low	56 Å²	56	58.6 Å²	58.6	29%	0.287	31%	0.308	S	S	.	.	H	α-helix	trans	-64	-45.7	177.1	-68.5	167.4	0	0	0	110.2	F292 F294 A308 C309 K310 R315 I316	F292-I312 HydrophobicContact CD1-CG2 4.2Å; F292-I312 HydrophobicContact CE1-CG2 3.64Å; F294-I312 HydrophobicContact CE1-CG2 4.47Å; F294-I312 HydrophobicContact CZ-CB 4.48Å; F294-I312 HydrophobicContact CZ-CG2 3.93Å; A308-I312 VanDerWaalsContact O-CG1 3.29Å; A308-I312 WeakPolarHBondContact O-CG1 3.29Å; A308-I312 PolarHBondContact O-N 3.5Å; A308-I312 VanDerWaalsContact O-N 3.07Å; C309-I312 PolarHBondContact O-N 2.9Å; K310-I312 VanDerWaalsContact C-N 3.33Å; K310-I312 PolarHBondContact O-N 3.19Å; I312-R315 PolarHBondContact O-N 3.5Å; I312-I316 HydrophobicContact CG2-CD1 4.48Å; I312-I316 WeakPolarHBondContact O-CG1 3.31Å; I312-I316 PolarHBondContact O-N 2.68Å
313	V	63.2	Low	65.4	Low	20 Å²	20	54.3 Å²	54.3	12%	0.121	29%	0.285	C	S	.	.	H	α-helix	trans	-61.7	-44.6	178.8	168.9	0	0	0	0	110.9	F294 C309 K310 R315 I316 H317 A560	F294-V313 HydrophobicContact CE2-CG2 3.91Å; F294-V313 HydrophobicContact CZ-CG2 4.03Å; C309-V313 WeakPolarHBondContact O-CB 3.35Å; C309-V313 WeakPolarHBondContact O-CG2 3.4Å; C309-V313 PolarHBondContact O-N 3.34Å; K310-V313 PolarHBondContact O-N 2.98Å; V313-R315 PolarHBondContact O-N 2.98Å; V313-I316 WeakPolarHBondContact O-CB 3.48Å; V313-I316 PolarHBondContact O-N 3.24Å; V313-I316 VanDerWaalsContact O-N 3.15Å; V313-H317 PolarHBondContact O-CD2 3.01Å; V313-H317 PolarHBondContact O-N 3.36Å; V313-A560 HydrophobicContact CG1-CB 3.93Å
314	E	67.8	Low	66.4	Low	92 Å²	92	51.1 Å²	51.1	43%	0.43	26%	0.264	S	S	.	.	H	α-helix	trans	-57.4	-45.8	174.5	-74.7	173.6	-176	0	0	111.8	K310 E311 I316 H317 D318	K310-E314 WeakPolarHBondContact O-CG 3.35Å; K310-E314 PolarHBondContact O-N 3.47Å; E311-E314 PolarHBondContact O-N 3.43Å; E314-I316 VanDerWaalsContact C-N 3.32Å; E314-I316 PolarHBondContact O-N 2.9Å; E314-H317 PolarHBondContact O-N 3.15Å; E314-H317 VanDerWaalsContact O-N 3.15Å; E314-D318 PolarHBondContact O-N 3.22Å
315	R	66.2	Low	67.8	Low	130 Å²	130	49.3 Å²	49.3	49%	0.491	25%	0.249	S	C	.	.	H	α-helix	trans	-62.3	-36.8	175.8	-72.2	-178.6	-172.6	-176.1	6.2	113.1	E311 I312 V313 D318 I319	E311-R315 WeakPolarHBondContact O-CG 3.49Å; E311-R315 PolarHBondContact O-N 3.47Å; I312-R315 PolarHBondContact O-N 3.5Å; V313-R315 PolarHBondContact O-N 2.98Å; R315-D318 WeakPolarHBondContact O-CB 3.27Å; R315-I319 VanDerWaalsContact O-CD1 3.27Å; R315-I319 WeakPolarHBondContact O-CD1 3.1Å; R315-I319 VanDerWaalsContact O-CG1 3.23Å; R315-I319 WeakPolarHBondContact O-CG1 3.38Å; R315-I319 PolarHBondContact O-N 2.9Å; R315-I319 VanDerWaalsContact O-N 3.14Å
316	I	66.3	Low	69.2	Low	23 Å²	23	50.7 Å²	50.7	12%	0.118	25%	0.248	C	C	.	.	H	α-helix	trans	-63.2	-49	173.6	-61.5	161.9	0	0	0	109.4	F292 I312 V313 E314 D318 I319 L320	F292-I316 HydrophobicContact CD1-CD1 3.42Å; F292-I316 VanDerWaalsContact CD1-CD1 3.42Å; F292-I316 HydrophobicContact CD1-CG1 4.33Å; F292-I316 HydrophobicContact CE1-CD1 2.91Å; F292-I316 HydrophobicContact CE1-CG1 3.35Å; F292-I316 HydrophobicContact CE2-CD1 4.49Å; F292-I316 HydrophobicContact CG-CD1 4.43Å; F292-I316 HydrophobicContact CZ-CD1 3.53Å; F292-I316 HydrophobicContact CZ-CG1 3.54Å; I312-I316 HydrophobicContact CG2-CD1 4.48Å; I312-I316 WeakPolarHBondContact O-CG1 3.31Å; I312-I316 PolarHBondContact O-N 2.68Å; V313-I316 WeakPolarHBondContact O-CB 3.48Å; V313-I316 PolarHBondContact O-N 3.24Å; V313-I316 VanDerWaalsContact O-N 3.15Å; E314-I316 VanDerWaalsContact C-N 3.32Å; E314-I316 PolarHBondContact O-N 2.9Å; I316-D318 VanDerWaalsContact C-N 3.27Å; I316-D318 PolarHBondContact O-N 3.37Å; I316-I319 CarbonylContact O-C 3.55Å; I316-I319 WeakPolarHBondContact O-CA 3.29Å; I316-I319 WeakPolarHBondContact O-CB 3.44Å; I316-I319 PolarHBondContact O-N 3.32Å; I316-L320 HydrophobicContact CG2-CD1 3.48Å; I316-L320 VanDerWaalsContact CG2-CD1 3.48Å; I316-L320 HydrophobicContact CG2-CG 3.73Å; I316-L320 WeakPolarHBondContact O-CB 3.32Å; I316-L320 VanDerWaalsContact O-CG 3.27Å; I316-L320 WeakPolarHBondContact O-CG 3.49Å; I316-L320 PolarHBondContact O-N 3.12Å
317	H	68.2	Low	70.6	Confident	30 Å²	30	49.8 Å²	49.8	14%	0.139	24%	0.24	C	C	.	.	H	α-helix	trans	-56.4	-47.5	-179.3	-78.6	-68.3	0	0	0	110.8	V313 E314 I319 L320 D321 I557 G561	V313-H317 PolarHBondContact O-CD2 3.01Å; V313-H317 PolarHBondContact O-N 3.36Å; E314-H317 PolarHBondContact O-N 3.15Å; E314-H317 VanDerWaalsContact O-N 3.15Å; H317-I319 PolarHBondContact O-N 3.32Å; H317-I319 VanDerWaalsContact O-N 3.14Å; H317-L320 CarbonylContact O-C 3.53Å; H317-L320 WeakPolarHBondContact O-CA 3.39Å; H317-L320 PolarHBondContact O-N 3.13Å; H317-D321 PolarHBondContact O-N 3.15Å; H317-I557 PolarHBondContact CE1-O 2.74Å; H317-I557 PolarHBondContact NE2-O 3.37Å; H317-G561 VanDerWaalsContact CD2-CA 3.5Å; H317-G561 WeakPolarHBondContact CD2-CA 3.31Å; H317-G561 PolarHBondContact CD2-N 2.85Å; H317-G561 VanDerWaalsContact ND1-CA 3.26Å; H317-G561 WeakPolarHBondContact ND1-CA 3.19Å
318	D	69.1	Low	71.5	Confident	57 Å²	57	46.8 Å²	46.8	31%	0.305	23%	0.227	S	C	.	.	H	α-helix	trans	-52	-38.5	172.6	-85.4	1.3	0	0	0	113.8	K51 E314 R315 I316 S564	K51-D318 VanDerWaalsContact CD-O 3.27Å; K51-D318 WeakPolarHBondContact CD-O 3.23Å; K51-D318 WeakPolarHBondContact CE-O 3.19Å; K51-D318 VanDerWaalsContact NZ-CB 3.34Å; K51-D318 PolarHBondContact NZ-O 3.4Å; E314-D318 PolarHBondContact O-N 3.22Å; R315-D318 WeakPolarHBondContact O-CB 3.27Å; I316-D318 VanDerWaalsContact C-N 3.27Å; I316-D318 PolarHBondContact O-N 3.37Å; D318-S564 WeakPolarHBondContact OD1-CB 3.45Å
319	I	69.2	Low	72.4	Confident	19 Å²	19	45 Å²	45	10%	0.097	21%	0.21	C	C	.	.	H	α-helix	trans	-75.4	-33.9	176.9	-65.8	157.2	0	0	0	111.3	C47 R315 I316 H317 P322 F323	C47-I319 HydrophobicContact CB-CD1 3.52Å; C47-I319 HydrophobicContact CB-CG1 4.12Å; C47-I319 HydrophobicContact CB-CG2 4.4Å; R315-I319 VanDerWaalsContact O-CD1 3.27Å; R315-I319 WeakPolarHBondContact O-CD1 3.1Å; R315-I319 VanDerWaalsContact O-CG1 3.23Å; R315-I319 WeakPolarHBondContact O-CG1 3.38Å; R315-I319 PolarHBondContact O-N 2.9Å; R315-I319 VanDerWaalsContact O-N 3.14Å; I316-I319 CarbonylContact O-C 3.55Å; I316-I319 WeakPolarHBondContact O-CA 3.29Å; I316-I319 WeakPolarHBondContact O-CB 3.44Å; I316-I319 PolarHBondContact O-N 3.32Å; H317-I319 PolarHBondContact O-N 3.32Å; H317-I319 VanDerWaalsContact O-N 3.14Å; I319-P322 WeakPolarHBondContact O-CD 3.48Å; I319-F323 WeakPolarHBondContact O-CD2 3.42Å; I319-F323 WeakPolarHBondContact O-CE2 3.39Å
320	L	72.8	Confident	73.5	Confident	8 Å²	8	49.2 Å²	49.2	4%	0.042	24%	0.236	C	C	.	.	H	α-helix	trans	-84.5	-24.6	-176.1	-66.6	-171.5	0	0	0	113.9	L270 L274 F282 I316 H317 P322 F323 I324	L270-L320 HydrophobicContact CD1-CD1 4.44Å; L270-L320 HydrophobicContact CD2-CD1 4.34Å; L274-L320 HydrophobicContact CD1-CD1 4.15Å; L274-L320 HydrophobicContact CD1-CD2 3.68Å; L274-L320 HydrophobicContact CD2-CD2 3.45Å; L274-L320 VanDerWaalsContact CD2-CD2 3.45Å; L274-L320 HydrophobicContact CG-CD2 4.21Å; F282-L320 HydrophobicContact CZ-CD2 4.27Å; I316-L320 HydrophobicContact CG2-CD1 3.48Å; I316-L320 VanDerWaalsContact CG2-CD1 3.48Å; I316-L320 HydrophobicContact CG2-CG 3.73Å; I316-L320 WeakPolarHBondContact O-CB 3.32Å; I316-L320 VanDerWaalsContact O-CG 3.27Å; I316-L320 WeakPolarHBondContact O-CG 3.49Å; I316-L320 PolarHBondContact O-N 3.12Å; H317-L320 CarbonylContact O-C 3.53Å; H317-L320 WeakPolarHBondContact O-CA 3.39Å; H317-L320 PolarHBondContact O-N 3.13Å; L320-P322 VanDerWaalsContact C-CD 3.49Å; L320-F323 WeakPolarHBondContact O-CA 3.37Å; L320-F323 PolarHBondContact O-N 2.96Å; L320-I324 HydrophobicContact CB-CD1 4.14Å; L320-I324 HydrophobicContact CB-CG1 4.48Å; L320-I324 HydrophobicContact CD1-CD1 4.09Å; L320-I324 PolarHBondContact O-N 3.33Å
321	D	74.7	Confident	74.2	Confident	41 Å²	41	46.7 Å²	46.7	22%	0.219	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.2	-46.4	-179.1	-75.5	-12.4	0	0	0	113.9	H317 F323 S564	H317-D321 PolarHBondContact O-N 3.15Å; D321-F323 VanDerWaalsContact C-N 3.26Å; D321-F323 PolarHBondContact O-N 2.87Å; D321-S564 PolarHBondContact OD2-OG 3.2Å
322	P	78.6	Confident	74.7	Confident	9 Å²	9	43 Å²	43	6%	0.058	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-30.2	177.3	21.7	-31.5	0	0	0	112.8	V54 M55 L58 W108 H112 I319 L320	V54-P322 HydrophobicContact CG1-CB 3.8Å; V54-P322 HydrophobicContact CG1-CG 4.09Å; M55-P322 HydrophobicContact SD-CB 4.18Å; L58-P322 HydrophobicContact CD1-CB 3.77Å; W108-P322 VanDerWaalsContact CZ2-O 3.26Å; W108-P322 WeakPolarHBondContact CZ2-O 3.4Å; W108-P322 PolarHBondContact NE1-O 3.19Å; H112-P322 PolarHBondContact CE1-O 2.93Å; H112-P322 PolarHBondContact NE2-O 2.64Å; I319-P322 WeakPolarHBondContact O-CD 3.48Å; L320-P322 VanDerWaalsContact C-CD 3.49Å
323	F	80.1	Confident	75	Confident	1 Å²	1	41.9 Å²	41.9	0%	0.004	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-19.8	-171.2	-58.8	-71.6	0	0	0	114.7	F50 V54 W108 L117 I120 M278 I319 L320 D321	F50-F323 HydrophobicContact CD1-CZ 4.24Å; F50-F323 HydrophobicContact CE1-CE1 4.4Å; F50-F323 HydrophobicContact CE1-CE2 4.19Å; F50-F323 AromaticContact CE1-CZ 3.54Å; F50-F323 HydrophobicContact CE1-CZ 3.54Å; F50-F323 HydrophobicContact CZ-CZ 4.41Å; V54-F323 HydrophobicContact CB-CZ 4.3Å; V54-F323 HydrophobicContact CG1-CE1 4.24Å; V54-F323 HydrophobicContact CG1-CZ 3.88Å; V54-F323 HydrophobicContact CG2-CE1 4.34Å; V54-F323 HydrophobicContact CG2-CZ 3.7Å; W108-F323 WeakPolarHBondContact CH2-O 3.48Å; L117-F323 HydrophobicContact CD1-CE1 4.44Å; L117-F323 HydrophobicContact CD2-CE1 4.34Å; I120-F323 PolarHBondContact N-O 2.8Å; M278-F323 HydrophobicContact CE-CB 3.95Å; M278-F323 HydrophobicContact CE-CD1 3.6Å; M278-F323 HydrophobicContact CE-CD2 3.4Å; M278-F323 HydrophobicContact CE-CE1 3.92Å; M278-F323 HydrophobicContact CE-CE2 3.72Å; M278-F323 HydrophobicContact CE-CG 3.33Å; M278-F323 HydrophobicContact CE-CZ 3.97Å; M278-F323 HydrophobicContact CG-CE1 4.39Å; M278-F323 HydrophobicContact SD-CD1 3.54Å; M278-F323 VanDerWaalsContact SD-CD1 3.54Å; M278-F323 HydrophobicContact SD-CD2 3.93Å; M278-F323 HydrophobicContact SD-CE1 3.24Å; M278-F323 WeakPolarHBondContact SD-CE1 2.98Å; M278-F323 HydrophobicContact SD-CE2 3.64Å; M278-F323 HydrophobicContact SD-CG 3.87Å; M278-F323 HydrophobicContact SD-CZ 3.3Å; M278-F323 WeakPolarHBondContact SD-CZ 3.41Å; I319-F323 WeakPolarHBondContact O-CD2 3.42Å; I319-F323 WeakPolarHBondContact O-CE2 3.39Å; L320-F323 WeakPolarHBondContact O-CA 3.37Å; L320-F323 PolarHBondContact O-N 2.96Å; D321-F323 VanDerWaalsContact C-N 3.26Å; D321-F323 PolarHBondContact O-N 2.87Å
324	I	83.7	Confident	75	Confident	31 Å²	31	49.8 Å²	49.8	16%	0.159	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	111.4	-176.1	-54.5	-174.8	0	0	0	108.9	I120 A122 L274 L320	I120-I324 HydrophobicContact CB-CG1 4.2Å; I120-I324 HydrophobicContact CD1-CD1 4.27Å; I120-I324 HydrophobicContact CD1-CG1 4.12Å; I120-I324 HydrophobicContact CG1-CG1 4.42Å; I120-I324 WeakPolarHBondContact O-CA 3.42Å; A122-I324 HydrophobicContact CB-CG2 3.75Å; L274-I324 HydrophobicContact CD2-CD1 4.41Å; L320-I324 HydrophobicContact CB-CD1 4.14Å; L320-I324 HydrophobicContact CB-CG1 4.48Å; L320-I324 HydrophobicContact CD1-CD1 4.09Å; L320-I324 PolarHBondContact O-N 3.33Å
325	L	87.1	Confident	75	Confident	30 Å²	30	53.5 Å²	53.5	16%	0.157	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	114.5	168.2	-176.5	63	0	0	0	109.4	W108 I120 L121 A122 D123	W108-L325 HydrophobicContact CB-CD2 4.12Å; W108-L325 HydrophobicContact CD2-CB 3.88Å; W108-L325 HydrophobicContact CD2-CD2 3.98Å; W108-L325 HydrophobicContact CD2-CG 4.46Å; W108-L325 HydrophobicContact CE3-CB 3.95Å; W108-L325 HydrophobicContact CE3-CD2 4.02Å; W108-L325 HydrophobicContact CG-CD2 4.04Å; W108-L325 HydrophobicContact CH2-CB 4.01Å; W108-L325 HydrophobicContact CZ2-CB 3.92Å; W108-L325 HydrophobicContact CZ3-CB 4.01Å; I120-L325 PolarHBondContact O-N 2.65Å; L121-L325 HydrophobicContact CD1-CB 4.15Å; L121-L325 HydrophobicContact CD1-CD2 3.8Å; L121-L325 HydrophobicContact CD1-CG 4.19Å; A122-L325 CarbonylContact C-O 3.55Å; A122-L325 WeakPolarHBondContact CA-O 3.21Å; A122-L325 PolarHBondContact N-O 2.83Å; D123-L325 PolarHBondContact N-O 2.74Å
326	R	85	Confident	75.2	Confident	54 Å²	54	48.6 Å²	48.6	20%	0.204	24%	0.243	C	C	.	.			trans	-128.8	123.5	176.7	179.5	170.9	-174.2	162.7	1.8	111.4	A122	A122-R326 HydrophobicContact CB-CB 4.23Å; A122-R326 WeakPolarHBondContact O-CG 3.32Å
327	R	85.9	Confident	75.7	Confident	24 Å²	24	48.7 Å²	48.7	9%	0.091	25%	0.246	C	C	.	.			trans	-125.8	144.3	171.6	-64.8	167.6	-71.3	-158.6	4.6	111	Y101 D123 D124 L127 V332	Y101-R327 PolarHBondContact O-NH1 3.38Å; D123-R327 WeakPolarHBondContact OD1-CB 3.37Å; D123-R327 IonicContact OD1-CZ 3.9Å; D123-R327 PolarHBondContact OD1-N 3.41Å; D123-R327 IonicContact OD1-NE 2.83Å; D123-R327 PolarHBondContact OD1-NE 2.98Å; D123-R327 IonicContact OD1-NH2 2.84Å; D123-R327 PolarHBondContact OD1-NH2 3.1Å; D123-R327 IonicContact OD2-CZ 2.8Å; D123-R327 IonicContact OD2-NE 3.9Å; D123-R327 PolarHBondContact OD2-NE 2.89Å; D123-R327 IonicContact OD2-NH2 3.84Å; D123-R327 PolarHBondContact OD2-NH2 3.43Å; D124-R327 VanDerWaalsContact CB-O 3.31Å; D124-R327 WeakPolarHBondContact CB-O 3.39Å; D124-R327 PolarHBondContact N-O 2.98Å; L127-R327 HydrophobicContact CD1-CB 4.11Å; L127-R327 VanDerWaalsContact CD1-O 3.24Å; L127-R327 WeakPolarHBondContact CD1-O 3.22Å; R327-V332 HydrophobicContact CB-CG2 4Å
328	M	79.8	Confident	76.2	Confident	53 Å²	53	57 Å²	57	26%	0.261	28%	0.275	S	S	.	.			trans	-96.3	154.1	175.4	-58.6	-72.9	-70.1	0	0	110.9	T330 D331 V332	M328-T330 WeakPolarHBondContact CB-OG1 3.45Å; M328-T330 PolarHBondContact O-N 3.49Å; M328-D331 VanDerWaalsContact CB-OD2 3.31Å; M328-D331 WeakPolarHBondContact CB-OD2 3.24Å; M328-D331 PolarHBondContact N-OD2 2.7Å; M328-D331 PolarHBondContact O-N 2.93Å; M328-D331 VanDerWaalsContact O-N 3.07Å; M328-V332 PolarHBondContact O-N 3.37Å
329	K	78	Confident	76.7	Confident	11 Å²	11	57 Å²	57	5%	0.048	27%	0.273	C	S	.	.	H	α-helix	trans	-54.9	-38.4	172.9	-74.6	170.9	-169.2	168.7	0	113.1	D124 M125 L127 D331 V332 E333 L336 D517 Y520	D124-K329 WeakPolarHBondContact OD2-CG 3.38Å; M125-K329 WeakPolarHBondContact O-CE 3.33Å; M125-K329 PolarHBondContact O-NZ 3.16Å; L127-K329 HydrophobicContact CD2-CG 4.09Å; L127-K329 HydrophobicContact CG-CG 4.38Å; K329-D331 PolarHBondContact O-N 2.94Å; K329-V332 PolarHBondContact O-N 3.04Å; K329-E333 PolarHBondContact O-N 3.41Å; K329-L336 HydrophobicContact CB-CD1 3.9Å; K329-L336 HydrophobicContact CD-CD1 4.05Å; K329-L336 HydrophobicContact CG-CD1 4.07Å; K329-D517 IonicContact NZ-OD1 3.8Å; K329-Y520 HydrophobicContact CD-CD1 3.84Å; K329-Y520 HydrophobicContact CD-CE1 3.83Å; K329-Y520 PolarHBondContact NZ-O 3.45Å
330	T	77.1	Confident	77.5	Confident	102 Å²	102	59 Å²	59	63%	0.626	28%	0.284	S	S	*	.	H	α-helix	trans	-61.1	-29.4	178.6	50	0	0	0	0	113.2	M328	M328-T330 WeakPolarHBondContact CB-OG1 3.45Å; M328-T330 PolarHBondContact O-N 3.49Å
331	D	78.1	Confident	78	Confident	74 Å²	74	63.3 Å²	63.3	40%	0.396	30%	0.304	S	S	.	.	H	α-helix	trans	-84.3	-28.2	-174.1	-51.1	-19.9	0	0	0	111.1	M328 K329 R562	M328-D331 VanDerWaalsContact CB-OD2 3.31Å; M328-D331 WeakPolarHBondContact CB-OD2 3.24Å; M328-D331 PolarHBondContact N-OD2 2.7Å; M328-D331 PolarHBondContact O-N 2.93Å; M328-D331 VanDerWaalsContact O-N 3.07Å; K329-D331 PolarHBondContact O-N 2.94Å; D331-R562 VanDerWaalsContact CG-NH2 3.26Å; D331-R562 IonicContact OD1-CZ 2.68Å; D331-R562 VanDerWaalsContact OD1-CZ 3.24Å; D331-R562 IonicContact OD1-NH1 2.77Å; D331-R562 PolarHBondContact OD1-NH1 2.84Å; D331-R562 IonicContact OD1-NH2 2.93Å; D331-R562 PolarHBondContact OD1-NH2 3.27Å; D331-R562 IonicContact OD2-CZ 2.89Å; D331-R562 IonicContact OD2-NH1 3.12Å; D331-R562 PolarHBondContact OD2-NH1 2.6Å; D331-R562 VanDerWaalsContact OD2-NH1 3.11Å; D331-R562 IonicContact OD2-NH2 3.91Å
332	V	76.7	Confident	78.6	Confident	37 Å²	37	65.6 Å²	65.6	22%	0.224	31%	0.312	C	S	.	.	H	α-helix	trans	-105	-38.6	-167.5	174.5	0	0	0	0	111.9	Y101 L127 R327 M328 K329	Y101-V332 HydrophobicContact CD1-CB 4.37Å; Y101-V332 HydrophobicContact CD1-CG1 2.97Å; Y101-V332 HydrophobicContact CD2-CG1 3.89Å; Y101-V332 HydrophobicContact CD2-CG2 4.38Å; Y101-V332 HydrophobicContact CE1-CG1 3.17Å; Y101-V332 HydrophobicContact CE2-CG1 4.11Å; Y101-V332 HydrophobicContact CG-CB 4.41Å; Y101-V332 HydrophobicContact CG-CG1 3.32Å; Y101-V332 HydrophobicContact CG-CG2 4.17Å; L127-V332 HydrophobicContact CD2-CB 4.35Å; L127-V332 HydrophobicContact CD2-CG1 4.34Å; R327-V332 HydrophobicContact CB-CG2 4Å; M328-V332 PolarHBondContact O-N 3.37Å; K329-V332 PolarHBondContact O-N 3.04Å
333	E	66.7	Low	79.1	Confident	33 Å²	33	68.4 Å²	68.4	15%	0.154	33%	0.329	C	S	.	.			trans	-131.1	89	-167.4	-160.9	75.5	-176.4	0	0	111.3	R99 K329 Q335 L336	R99-E333 IonicContact CZ-OE1 3.65Å; R99-E333 IonicContact CZ-OE2 2.83Å; R99-E333 IonicContact NH1-OE1 3.91Å; R99-E333 PolarHBondContact NH1-OE1 2.89Å; R99-E333 IonicContact NH1-OE2 2.9Å; R99-E333 PolarHBondContact NH1-OE2 3.05Å; R99-E333 IonicContact NH2-OE1 3.5Å; K329-E333 PolarHBondContact O-N 3.41Å; E333-Q335 PolarHBondContact O-N 3.47Å; E333-L336 HydrophobicContact CB-CD1 4.11Å; E333-L336 HydrophobicContact CB-CG 4.08Å; E333-L336 HydrophobicContact CG-CD1 4.32Å; E333-L336 HydrophobicContact CG-CD2 4.4Å; E333-L336 HydrophobicContact CG-CG 3.78Å
334	Q	64.5	Low	79.6	Confident	186 Å²	186	70.3 Å²	70.3	87%	0.869	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-10	175.4	-62.8	-172.7	-3.4	0	0	113.4
335	Q	67.4	Low	80.1	Confident	171 Å²	171	73.9 Å²	73.9	80%	0.799	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-4.1	-175.4	-64.9	-174.6	-3.1	0	0	114.6	E333	E333-Q335 PolarHBondContact O-N 3.47Å
336	L	70.3	Confident	80.3	Confident	26 Å²	26	72.5 Å²	72.5	14%	0.136	35%	0.345	C	S	.	.	S	Bend	trans	-66.9	141.4	178.2	-70.1	170.1	0	0	0	110.6	K329 E333 Y520	K329-L336 HydrophobicContact CB-CD1 3.9Å; K329-L336 HydrophobicContact CD-CD1 4.05Å; K329-L336 HydrophobicContact CG-CD1 4.07Å; E333-L336 HydrophobicContact CB-CD1 4.11Å; E333-L336 HydrophobicContact CB-CG 4.08Å; E333-L336 HydrophobicContact CG-CD1 4.32Å; E333-L336 HydrophobicContact CG-CD2 4.4Å; E333-L336 HydrophobicContact CG-CG 3.78Å; L336-Y520 HydrophobicContact CB-CE2 4.15Å; L336-Y520 WeakPolarHBondContact CB-OH 3.33Å; L336-Y520 HydrophobicContact CD1-CE1 4.06Å
337	P	76.7	Confident	80.6	Confident	26 Å²	26	73.6 Å²	73.6	17%	0.169	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-63.2	167.8	176.7	27.1	-33.7	0	0	0	110.8	Y520 Q524 K526	P337-Y520 HydrophobicContact CG-CE2 4.35Å; P337-Y520 WeakPolarHBondContact O-CE2 3.13Å; P337-Y520 VanDerWaalsContact O-CZ 3.32Å; P337-Y520 PolarHBondContact O-OH 3.36Å; P337-Q524 WeakPolarHBondContact CD-O 3.4Å; P337-Q524 HydrophobicContact CG-CG 4.14Å; P337-Q524 WeakPolarHBondContact CG-O 3.37Å; P337-K526 WeakPolarHBondContact CG-O 3.39Å
338	R	79.2	Confident	80.8	Confident	203 Å²	203	73.9 Å²	73.9	77%	0.766	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-69.1	138.9	178.9	-65.8	-176.5	179.2	-176.4	-0.1	110.7	P527 V528	R338-P527 WeakPolarHBondContact O-CA 3.47Å; R338-V528 PolarHBondContact O-N 3.26Å; R338-V528 VanDerWaalsContact O-N 3.14Å
339	K	80.1	Confident	81.2	Confident	58 Å²	58	71.9 Å²	71.9	25%	0.252	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	115.6	168.7	177.2	-177.5	168.4	-174.1	0	107.9	E341 T516 D517 Y520 V528	K339-E341 WeakPolarHBondContact CE-OE1 3.49Å; K339-E341 IonicContact NZ-OE1 2.88Å; K339-E341 PolarHBondContact NZ-OE1 3.01Å; K339-E341 VanDerWaalsContact NZ-OE1 3.12Å; K339-T516 HydrophobicContact CD-CG2 4.43Å; K339-T516 VanDerWaalsContact CE-CG2 3.47Å; K339-D517 IonicContact NZ-OD1 3.11Å; K339-D517 PolarHBondContact NZ-OD1 3.4Å; K339-Y520 HydrophobicContact CB-CD1 4.43Å; K339-Y520 HydrophobicContact CB-CD2 4.1Å; K339-Y520 HydrophobicContact CB-CE1 4.36Å; K339-Y520 HydrophobicContact CB-CE2 4.04Å; K339-Y520 HydrophobicContact CB-CG 4.29Å; K339-Y520 HydrophobicContact CD-CD1 4.01Å; K339-Y520 HydrophobicContact CD-CG 4.11Å; K339-V528 WeakPolarHBondContact CA-O 3.45Å
340	N	84.4	Confident	81.5	Confident	61 Å²	61	79.7 Å²	79.7	33%	0.326	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	130.4	177.3	-58.1	-46	0	0	0	109.7	F342 V528 N529 A530	N340-F342 HydrophobicContact CB-CD2 4.3Å; N340-F342 HydrophobicContact CB-CE2 3.45Å; N340-F342 VanDerWaalsContact CB-CE2 3.45Å; N340-F342 HydrophobicContact CB-CZ 3.6Å; N340-V528 PolarHBondContact N-O 2.88Å; N340-N529 PolarHBondContact ND2-OD1 3.14Å; N340-A530 PolarHBondContact O-N 2.72Å
341	E	83.1	Confident	81.9	Confident	98 Å²	98	78.7 Å²	78.7	46%	0.458	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	120.4	175.7	-61.1	-169.5	176.3	0	0	110.1	K339 A530	K339-E341 WeakPolarHBondContact CE-OE1 3.49Å; K339-E341 IonicContact NZ-OE1 2.88Å; K339-E341 PolarHBondContact NZ-OE1 3.01Å; K339-E341 VanDerWaalsContact NZ-OE1 3.12Å; E341-A530 CarbonylContact C-O 3.6Å; E341-A530 WeakPolarHBondContact CA-O 3.36Å; E341-A530 HydrophobicContact CG-CB 4.31Å
342	F	88.7	Confident	82.3	Confident	90 Å²	90	75.2 Å²	75.2	40%	0.395	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	126.8	-177.9	-58.3	-75.9	0	0	0	110.6	N340 V344 N529 A530 Y531 R532	N340-F342 HydrophobicContact CB-CD2 4.3Å; N340-F342 HydrophobicContact CB-CE2 3.45Å; N340-F342 VanDerWaalsContact CB-CE2 3.45Å; N340-F342 HydrophobicContact CB-CZ 3.6Å; F342-V344 HydrophobicContact CB-CG2 4.42Å; F342-N529 HydrophobicContact CE2-CB 4.33Å; F342-A530 PolarHBondContact N-O 2.97Å; F342-Y531 HydrophobicContact CB-CD1 3.71Å; F342-Y531 HydrophobicContact CB-CE1 4.09Å; F342-Y531 AromaticContact CD2-CD1 3.84Å; F342-Y531 HydrophobicContact CD2-CD1 3.84Å; F342-Y531 AromaticContact CD2-CE1 3.49Å; F342-Y531 HydrophobicContact CD2-CE1 3.49Å; F342-Y531 VanDerWaalsContact CD2-CE1 3.49Å; F342-Y531 AromaticContact CD2-CZ 3.99Å; F342-Y531 HydrophobicContact CE2-CE1 4.15Å; F342-Y531 HydrophobicContact CG-CD1 4.11Å; F342-Y531 AromaticContact CG-CE1 3.98Å; F342-Y531 HydrophobicContact CG-CE1 3.98Å; F342-Y531 CarbonylContact O-C 3.53Å; F342-Y531 WeakPolarHBondContact O-CA 3.3Å; F342-R532 PolarHBondContact O-N 3.43Å
343	V	88.6	Confident	82.8	Confident	68 Å²	68	75.7 Å²	75.7	41%	0.412	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	110.7	169	-176.6	0	0	0	0	108.4	Y345 V534	V343-Y345 HydrophobicContact CB-CE2 4.47Å; V343-Y345 HydrophobicContact CG1-CD2 4.36Å; V343-Y345 HydrophobicContact CG1-CE1 4.5Å; V343-Y345 HydrophobicContact CG1-CE2 3.83Å; V343-V534 HydrophobicContact CG1-CB 4.41Å; V343-V534 HydrophobicContact CG1-CG2 3.73Å
344	V	91.4	Very high	83.6	Confident	40 Å²	40	81 Å²	81	24%	0.242	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	110	-177.2	-175.1	0	0	0	0	108.9	F342 I421 Y531 R532 L533 V534	F342-V344 HydrophobicContact CB-CG2 4.42Å; V344-I421 HydrophobicContact CG1-CG2 3.77Å; V344-Y531 HydrophobicContact CG2-CD1 3.94Å; V344-R532 PolarHBondContact N-O 3.48Å; V344-L533 HydrophobicContact CB-CD2 3.95Å; V344-L533 HydrophobicContact CG1-CD2 4.23Å; V344-L533 WeakPolarHBondContact O-CA 3.41Å; V344-V534 PolarHBondContact O-N 2.87Å
345	Y	92.6	Very high	84.4	Confident	107 Å²	107	74.2 Å²	74.2	42%	0.42	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	131	178	-70.4	-83.4	0	0	0	111	V343 V534 R536 E541	V343-Y345 HydrophobicContact CB-CE2 4.47Å; V343-Y345 HydrophobicContact CG1-CD2 4.36Å; V343-Y345 HydrophobicContact CG1-CE1 4.5Å; V343-Y345 HydrophobicContact CG1-CE2 3.83Å; Y345-V534 CarbonylContact C-O 3.51Å; Y345-V534 WeakPolarHBondContact CA-O 3.11Å; Y345-V534 HydrophobicContact CD1-CB 4.19Å; Y345-V534 HydrophobicContact CD1-CG1 4.07Å; Y345-V534 HydrophobicContact CE1-CB 4.35Å; Y345-V534 HydrophobicContact CE1-CG1 3.98Å; Y345-R536 HydrophobicContact CD1-CG 3.84Å; Y345-R536 HydrophobicContact CG-CG 4.24Å; Y345-E541 HydrophobicContact CE1-CG 4.19Å
346	T	91.9	Very high	85.1	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.006	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	136.7	-176.9	63.2	0	0	0	0	109.9	K418 I421 V534 A535 R536	T346-K418 HydrophobicContact CG2-CG 4.4Å; T346-K418 WeakPolarHBondContact OG1-CG 3.32Å; T346-I421 HydrophobicContact CG2-CB 4.08Å; T346-I421 HydrophobicContact CG2-CG1 3.85Å; T346-I421 HydrophobicContact CG2-CG2 4.41Å; T346-V534 PolarHBondContact N-O 2.78Å; T346-V534 PolarHBondContact OG1-O 3.45Å; T346-A535 WeakPolarHBondContact O-CA 3.43Å; T346-A535 WeakPolarHBondContact OG1-CA 3.18Å; T346-R536 PolarHBondContact O-N 3.41Å
347	P	91.7	Very high	85.7	Confident	76 Å²	76	72.1 Å²	72.1	49%	0.494	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-71.1	160.5	170	31.4	-33.6	0	0	0	110.1	G417	P347-G417 WeakPolarHBondContact O-CA 3.32Å
348	L	89	Confident	85.9	Confident	30 Å²	30	75.2 Å²	75.2	16%	0.157	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-79.9	144.1	167.6	-69.6	178.7	0	0	0	110	Q352 I353 A535 T538	L348-Q352 HydrophobicContact CB-CB 4.06Å; L348-Q352 HydrophobicContact CD2-CB 4.02Å; L348-Q352 HydrophobicContact CG-CB 4.49Å; L348-I353 HydrophobicContact CB-CG1 3.82Å; L348-A535 HydrophobicContact CD2-CB 3.97Å; L348-T538 HydrophobicContact CD1-CG2 3.78Å; L348-T538 HydrophobicContact CD2-CG2 3.88Å; L348-T538 HydrophobicContact CG-CG2 4.01Å
349	S	88.6	Confident	85.8	Confident	12 Å²	12	65.7 Å²	65.7	8%	0.084	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-70.6	164.5	170	72.1	0	0	0	0	111.3	L351 Q352 I353 N415	S349-L351 VanDerWaalsContact C-N 3.3Å; S349-L351 PolarHBondContact O-N 3.39Å; S349-Q352 PolarHBondContact O-N 2.83Å; S349-Q352 VanDerWaalsContact OG-CG 3.24Å; S349-Q352 WeakPolarHBondContact OG-CG 3.48Å; S349-Q352 PolarHBondContact OG-N 2.74Å; S349-Q352 PolarHBondContact OG-OE1 2.89Å; S349-I353 VanDerWaalsContact O-CG1 3.26Å; S349-I353 WeakPolarHBondContact O-CG1 3.32Å; S349-I353 PolarHBondContact O-N 3.07Å; S349-N415 VanDerWaalsContact CB-O 3.27Å; S349-N415 WeakPolarHBondContact CB-O 3.29Å; S349-N415 PolarHBondContact OG-O 2.9Å
350	E	85.7	Confident	85.7	Confident	174 Å²	174	67.1 Å²	67.1	81%	0.813	32%	0.322	S	S	*	.	H	α-helix	trans	-57.2	-43.4	176.9	-64.2	-173.9	171.3	0	0	112.1	Q352 I353	E350-Q352 VanDerWaalsContact C-N 3.26Å; E350-Q352 PolarHBondContact O-N 2.75Å; E350-I353 PolarHBondContact O-N 3.45Å
351	L	84.3	Confident	85.3	Confident	81 Å²	81	73.3 Å²	73.3	42%	0.424	34%	0.341	S	S	.	.	H	α-helix	trans	-65.9	-24	175.4	-68.2	-172.1	0	0	0	113.7	S349 P355 P396 N415	S349-L351 VanDerWaalsContact C-N 3.3Å; S349-L351 PolarHBondContact O-N 3.39Å; L351-P355 WeakPolarHBondContact O-CD 3.25Å; L351-P355 VanDerWaalsContact O-CG 3.3Å; L351-P355 WeakPolarHBondContact O-CG 3.4Å; L351-P396 HydrophobicContact CB-CB 4.43Å; L351-P396 HydrophobicContact CB-CG 4.39Å; L351-N415 HydrophobicContact CD1-CB 3.89Å; L351-N415 VanDerWaalsContact CD1-OD1 3.29Å; L351-N415 WeakPolarHBondContact CD1-OD1 3.42Å
352	Q	87.8	Confident	84.8	Confident	1 Å²	1	71.5 Å²	71.5	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-83.7	-29.9	175	-71.2	173	-51.6	0	0	112.5	L348 S349 E350 S356 I392 P396 S416	L348-Q352 HydrophobicContact CB-CB 4.06Å; L348-Q352 HydrophobicContact CD2-CB 4.02Å; L348-Q352 HydrophobicContact CG-CB 4.49Å; S349-Q352 PolarHBondContact O-N 2.83Å; S349-Q352 VanDerWaalsContact OG-CG 3.24Å; S349-Q352 WeakPolarHBondContact OG-CG 3.48Å; S349-Q352 PolarHBondContact OG-N 2.74Å; S349-Q352 PolarHBondContact OG-OE1 2.89Å; E350-Q352 VanDerWaalsContact C-N 3.26Å; E350-Q352 PolarHBondContact O-N 2.75Å; Q352-S356 WeakPolarHBondContact O-CB 3.31Å; Q352-S356 PolarHBondContact O-N 2.99Å; Q352-I392 HydrophobicContact CB-CG2 4.21Å; Q352-I392 PolarHBondContact NE2-O 2.83Å; Q352-I392 WeakPolarHBondContact O-CG2 3.48Å; Q352-P396 HydrophobicContact CG-CB 4.36Å; Q352-P396 HydrophobicContact CG-CG 4.25Å; Q352-S416 PolarHBondContact NE2-OG 3.32Å
353	I	86.4	Confident	83.9	Confident	47 Å²	47	71.2 Å²	71.2	24%	0.241	34%	0.337	C	S	.	.	H	α-helix	trans	-65.8	-47.4	-174	-74.3	165.5	0	0	0	111.5	L348 S349 E350 S356 R357	L348-I353 HydrophobicContact CB-CG1 3.82Å; S349-I353 VanDerWaalsContact O-CG1 3.26Å; S349-I353 WeakPolarHBondContact O-CG1 3.32Å; S349-I353 PolarHBondContact O-N 3.07Å; E350-I353 PolarHBondContact O-N 3.45Å; I353-S356 PolarHBondContact O-N 3.1Å; I353-R357 HydrophobicContact CG2-CG 4.32Å; I353-R357 WeakPolarHBondContact O-CB 3.33Å; I353-R357 WeakPolarHBondContact O-CG 3.37Å; I353-R357 PolarHBondContact O-N 3.41Å
354	E	83.1	Confident	82.8	Confident	146 Å²	146	76.4 Å²	76.4	68%	0.682	35%	0.354	S	S	*	.	H	α-helix	trans	-64.7	-51.9	-176	-179.9	-178	-175.7	0	0	112.8	S356 R357 K358	E354-S356 VanDerWaalsContact C-N 3.27Å; E354-S356 PolarHBondContact O-N 3.41Å; E354-R357 PolarHBondContact O-N 3Å; E354-K358 WeakPolarHBondContact O-CB 3.34Å; E354-K358 PolarHBondContact O-N 2.93Å
355	P	81.2	Confident	81.3	Confident	42 Å²	42	76.7 Å²	76.7	27%	0.273	36%	0.357	S	S	.	.	H	α-helix	trans	-57.9	-39.8	175	-25.1	35	0	0	0	112.4	L351 K358 L359 I392 L399	L351-P355 WeakPolarHBondContact O-CD 3.25Å; L351-P355 VanDerWaalsContact O-CG 3.3Å; L351-P355 WeakPolarHBondContact O-CG 3.4Å; P355-K358 PolarHBondContact O-N 3.3Å; P355-L359 WeakPolarHBondContact O-CB 3.46Å; P355-L359 PolarHBondContact O-N 3.5Å; P355-I392 HydrophobicContact CB-CD1 4.15Å; P355-I392 HydrophobicContact CB-CG1 4.35Å; P355-L399 HydrophobicContact CB-CD1 4.13Å
356	S	81.9	Confident	79.3	Confident	4 Å²	4	76.8 Å²	76.8	3%	0.028	37%	0.374	C	S	.	.	H	α-helix	trans	-65.9	-39.8	178.6	-169	0	0	0	0	112.7	Q352 I353 E354 R360	Q352-S356 WeakPolarHBondContact O-CB 3.31Å; Q352-S356 PolarHBondContact O-N 2.99Å; I353-S356 PolarHBondContact O-N 3.1Å; E354-S356 VanDerWaalsContact C-N 3.27Å; E354-S356 PolarHBondContact O-N 3.41Å; S356-R360 WeakPolarHBondContact O-CB 3.33Å; S356-R360 WeakPolarHBondContact O-CG 3.39Å; S356-R360 PolarHBondContact O-N 3.46Å; S356-R360 VanDerWaalsContact O-N 3.1Å; S356-R360 PolarHBondContact O-NE 2.9Å; S356-R360 VanDerWaalsContact OG-CZ 3.3Å; S356-R360 PolarHBondContact OG-NH2 2.93Å
357	R	83.8	Confident	76.9	Confident	149 Å²	149	82 Å²	82	56%	0.562	41%	0.405	S	S	*	.	H	α-helix	trans	-67.6	-43.9	174.7	-76.5	177	-177.9	158.6	2.9	111.4	I353 E354 R360 R361	I353-R357 HydrophobicContact CG2-CG 4.32Å; I353-R357 WeakPolarHBondContact O-CB 3.33Å; I353-R357 WeakPolarHBondContact O-CG 3.37Å; I353-R357 PolarHBondContact O-N 3.41Å; E354-R357 PolarHBondContact O-N 3Å; R357-R360 PolarHBondContact O-N 3.29Å; R357-R361 WeakPolarHBondContact O-CG 3.14Å; R357-R361 PolarHBondContact O-N 3.31Å
358	K	79.8	Confident	74.4	Confident	91 Å²	91	83.3 Å²	83.3	40%	0.396	42%	0.423	S	S	.	.	H	α-helix	trans	-60.3	-46.7	177.7	-171.6	173.6	-175.1	169.5	0	111.3	E354 P355 R360 R361 L362	E354-K358 WeakPolarHBondContact O-CB 3.34Å; E354-K358 PolarHBondContact O-N 2.93Å; P355-K358 PolarHBondContact O-N 3.3Å; K358-R360 PolarHBondContact O-N 3.14Å; K358-R361 PolarHBondContact O-N 3.43Å; K358-L362 HydrophobicContact CG-CD1 4.48Å; K358-L362 WeakPolarHBondContact O-CG 3.42Å; K358-L362 PolarHBondContact O-N 3.48Å; K358-L362 VanDerWaalsContact O-N 3.07Å
359	L	77.4	Confident	72.2	Confident	3 Å²	3	86.6 Å²	86.6	2%	0.016	44%	0.444	C	S	.	.	H	α-helix	trans	-63.4	-40.5	177.9	-170.4	62.6	0	0	0	112.1	P355 R361 L362 D363 F379 I384 T388 F389 I392	P355-L359 WeakPolarHBondContact O-CB 3.46Å; P355-L359 PolarHBondContact O-N 3.5Å; L359-R361 VanDerWaalsContact C-N 3.34Å; L359-R361 PolarHBondContact O-N 3.43Å; L359-L362 PolarHBondContact O-N 2.99Å; L359-D363 WeakPolarHBondContact O-CB 3.4Å; L359-D363 PolarHBondContact O-N 3.06Å; L359-F379 HydrophobicContact CD1-CE1 4.26Å; L359-I384 HydrophobicContact CD1-CG1 4.48Å; L359-I384 HydrophobicContact CD1-CG2 4.18Å; L359-T388 HydrophobicContact CD2-CG2 3.84Å; L359-F389 HydrophobicContact CB-CE1 3.91Å; L359-F389 HydrophobicContact CB-CZ 4.03Å; L359-F389 HydrophobicContact CD2-CD1 3.64Å; L359-F389 HydrophobicContact CD2-CD2 3.79Å; L359-F389 HydrophobicContact CD2-CE1 3.55Å; L359-F389 HydrophobicContact CD2-CE2 3.74Å; L359-F389 HydrophobicContact CD2-CG 3.75Å; L359-F389 HydrophobicContact CD2-CZ 3.62Å; L359-F389 HydrophobicContact CG-CD1 4.32Å; L359-F389 HydrophobicContact CG-CD2 4.42Å; L359-F389 HydrophobicContact CG-CE1 3.71Å; L359-F389 HydrophobicContact CG-CE2 3.85Å; L359-F389 HydrophobicContact CG-CZ 3.47Å; L359-F389 VanDerWaalsContact CG-CZ 3.47Å; L359-I392 HydrophobicContact CD2-CD1 3.91Å
360	R	78	Confident	69.8	Low	89 Å²	89	91.4 Å²	91.4	34%	0.336	48%	0.475	S	S	.	.	H	α-helix	trans	-62.2	-36.8	173.9	-83.1	-177.6	-89.1	-130.8	6.8	113.7	S356 R357 K358 K364 F389 G537	S356-R360 WeakPolarHBondContact O-CB 3.33Å; S356-R360 WeakPolarHBondContact O-CG 3.39Å; S356-R360 PolarHBondContact O-N 3.46Å; S356-R360 VanDerWaalsContact O-N 3.1Å; S356-R360 PolarHBondContact O-NE 2.9Å; S356-R360 VanDerWaalsContact OG-CZ 3.3Å; S356-R360 PolarHBondContact OG-NH2 2.93Å; R357-R360 PolarHBondContact O-N 3.29Å; K358-R360 PolarHBondContact O-N 3.14Å; R360-K364 WeakPolarHBondContact O-CG 3.25Å; R360-K364 PolarHBondContact O-N 3.33Å; R360-K364 VanDerWaalsContact O-N 3.07Å; R360-F389 HydrophobicContact CG-CE1 3.81Å; R360-F389 HydrophobicContact CG-CZ 4.02Å; R360-G537 PolarHBondContact NH1-O 3.08Å
361	R	77.6	Confident	67.5	Low	191 Å²	191	89.2 Å²	89.2	72%	0.721	47%	0.468	S	S	*	.	H	α-helix	trans	-67.1	-43	175.8	-72.9	178.1	180	169.7	-0.5	111.2	R357 K358 L359 K364 S365	R357-R361 WeakPolarHBondContact O-CG 3.14Å; R357-R361 PolarHBondContact O-N 3.31Å; K358-R361 PolarHBondContact O-N 3.43Å; L359-R361 VanDerWaalsContact C-N 3.34Å; L359-R361 PolarHBondContact O-N 3.43Å; R361-K364 PolarHBondContact O-N 3.33Å; R361-S365 WeakPolarHBondContact O-CB 3.24Å; R361-S365 PolarHBondContact O-N 2.81Å
362	L	71.5	Confident	65.1	Low	59 Å²	59	92.3 Å²	92.3	31%	0.309	49%	0.485	S	S	.	.	H	α-helix	trans	-62.2	-45.2	176.5	-69	169.4	0	0	0	111.5	K358 L359 S365 I384	K358-L362 HydrophobicContact CG-CD1 4.48Å; K358-L362 WeakPolarHBondContact O-CG 3.42Å; K358-L362 PolarHBondContact O-N 3.48Å; K358-L362 VanDerWaalsContact O-N 3.07Å; L359-L362 PolarHBondContact O-N 2.99Å; L362-S365 PolarHBondContact O-N 2.9Å; L362-S365 VanDerWaalsContact O-N 3.14Å; L362-S365 PolarHBondContact O-OG 3.23Å; L362-I384 HydrophobicContact CB-CD1 4.12Å
363	D	69.2	Low	62.7	Low	84 Å²	84	99 Å²	99	45%	0.449	52%	0.52	S	S	.	.	H	α-helix	trans	-60.2	-45.7	178.2	-164.6	38	0	0	0	111.9	L359 S365 S366 I384	L359-D363 WeakPolarHBondContact O-CB 3.4Å; L359-D363 PolarHBondContact O-N 3.06Å; D363-S365 VanDerWaalsContact C-N 3.3Å; D363-S365 PolarHBondContact O-N 3.42Å; D363-S366 PolarHBondContact O-OG 3.5Å; D363-S366 VanDerWaalsContact O-OG 3.05Å; D363-I384 HydrophobicContact CB-CG2 4.24Å
364	K	66.2	Low	60.3	Low	178 Å²	178	106 Å²	106	77%	0.774	55%	0.549	S	S	*	.	H	α-helix	trans	-67	-27.6	175	-73.7	-175.1	177.4	-169	0	113.8	R360 R361	R360-K364 WeakPolarHBondContact O-CG 3.25Å; R360-K364 PolarHBondContact O-N 3.33Å; R360-K364 VanDerWaalsContact O-N 3.07Å; R361-K364 PolarHBondContact O-N 3.33Å
365	S	59.2	Low	58.4	Low	45 Å²	45	103.3 Å²	103.3	32%	0.315	54%	0.538	S	S	.	.	H	α-helix	trans	-74.4	-25.8	-173.8	77.2	0	0	0	0	113.5	R361 L362 D363 T367	R361-S365 WeakPolarHBondContact O-CB 3.24Å; R361-S365 PolarHBondContact O-N 2.81Å; L362-S365 PolarHBondContact O-N 2.9Å; L362-S365 VanDerWaalsContact O-N 3.14Å; L362-S365 PolarHBondContact O-OG 3.23Å; D363-S365 VanDerWaalsContact C-N 3.3Å; D363-S365 PolarHBondContact O-N 3.42Å; S365-T367 WeakPolarHBondContact O-CB 3.38Å; S365-T367 PolarHBondContact O-N 3.27Å; S365-T367 PolarHBondContact O-OG1 2.89Å
366	S	51.6	Low	56.3	Low	110 Å²	110	107 Å²	107	77%	0.769	55%	0.551	S	S	*	*			trans	37.9	16.7	170.1	-71.9	0	0	0	0	117.8	D363	D363-S366 PolarHBondContact O-OG 3.5Å; D363-S366 VanDerWaalsContact O-OG 3.05Å
367	T	41.4	Very low	54.4	Low	109 Å²	109	114.2 Å²	114.2	67%	0.669	59%	0.59	S	S	*	*	S	Bend	trans	-143.2	132.3	-175.2	51.4	0	0	0	0	106.1	S365 V369	S365-T367 WeakPolarHBondContact O-CB 3.38Å; S365-T367 PolarHBondContact O-N 3.27Å; S365-T367 PolarHBondContact O-OG1 2.89Å; T367-V369 PolarHBondContact O-N 3.34Å
368	A	38.6	Very low	52.4	Low	105 Å²	105	110.8 Å²	110.8	87%	0.868	58%	0.579	S	S	*	*			trans	-49.9	108.2	-171.7	0	0	0	0	0	112.1
369	V	42.2	Very low	50.8	Low	99 Å²	99	110.5 Å²	110.5	60%	0.6	58%	0.578	S	S	*	*			trans	-85.5	121.5	163.3	-174.9	0	0	0	0	106.9	T367 I371	T367-V369 PolarHBondContact O-N 3.34Å; V369-I371 PolarHBondContact O-N 3.34Å
370	P	39	Very low	49.2	Very low	113 Å²	113	114.3 Å²	114.3	73%	0.734	61%	0.605	S	S	*	*			trans	-58.9	134.3	174.5	-19.2	31.7	0	0	0	110.1	D372	P370-D372 PolarHBondContact O-N 3Å
371	I	37.4	Very low	47.7	Very low	128 Å²	128	119.4 Å²	119.4	66%	0.656	63%	0.629	S	S	*	*			trans	-72.5	110.1	-178.7	-62.5	153.9	0	0	0	107.2	V369 E376	V369-I371 PolarHBondContact O-N 3.34Å; I371-E376 HydrophobicContact CG2-CG 4.04Å; I371-E376 WeakPolarHBondContact CG2-OE1 3.42Å
372	D	34.5	Very low	46.1	Very low	145 Å²	145	116 Å²	116	78%	0.775	62%	0.62	S	S	*	*			trans	-138.3	128.3	163.6	-107.5	-30.4	0	0	0	110.4	P370	P370-D372 PolarHBondContact O-N 3Å
373	L	36.7	Very low	44.8	Very low	141 Å²	141	123.9 Å²	123.9	74%	0.738	65%	0.645	S	S	*	*	S	Bend	trans	85.5	89.6	163.9	-54.7	158.9	0	0	0	118.1
374	K	36.5	Very low	44.2	Very low	196 Å²	196	124.1 Å²	124.1	85%	0.852	65%	0.646	S	S	*	*	S	Bend	trans	79.1	9.6	143.1	-64.2	-175.6	177.2	178.4	0	121.2
375	I	41.7	Very low	44	Very low	89 Å²	89	117.7 Å²	117.7	46%	0.456	62%	0.623	S	S	.	*			trans	-121	44.4	173.5	-44.5	174.4	0	0	0	110.5	F379	I375-F379 HydrophobicContact CG2-CD2 3.71Å; I375-F379 HydrophobicContact CG2-CE2 3.99Å
376	E	38.7	Very low	44.6	Very low	119 Å²	119	119.3 Å²	119.3	56%	0.556	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-16.2	-166.2	-76.7	-171.8	137.3	0	0	115.6	I371 S380	I371-E376 HydrophobicContact CG2-CG 4.04Å; I371-E376 WeakPolarHBondContact CG2-OE1 3.42Å; E376-S380 WeakPolarHBondContact O-CB 3.45Å; E376-S380 PolarHBondContact O-OG 2.91Å
377	N	41	Very low	45.8	Very low	156 Å²	156	117.7 Å²	117.7	83%	0.834	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	-16.4	-172.1	-74.9	-14.5	0	0	0	116
378	F	42.6	Very low	47.7	Very low	77 Å²	77	113.6 Å²	113.6	34%	0.338	59%	0.588	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.2	-30.2	-177.7	-124.8	-89	0	0	0	114.3	L399	F378-L399 VanDerWaalsContact CD1-O 3.26Å; F378-L399 WeakPolarHBondContact CD1-O 3.4Å; F378-L399 WeakPolarHBondContact CE1-O 3.47Å; F378-L399 WeakPolarHBondContact CE2-O 2.71Å; F378-L399 WeakPolarHBondContact CZ-O 3.25Å
379	F	45.5	Very low	49.8	Very low	85 Å²	85	110 Å²	110	37%	0.373	55%	0.553	S	S	.	*	S	Bend	trans	-98.2	-17.5	-174.3	-76.2	-85.7	0	0	0	114.4	L359 I375	L359-F379 HydrophobicContact CD1-CE1 4.26Å; I375-F379 HydrophobicContact CG2-CD2 3.71Å; I375-F379 HydrophobicContact CG2-CE2 3.99Å
380	S	44.2	Very low	52	Low	82 Å²	82	107.7 Å²	107.7	57%	0.573	53%	0.534	S	S	*	.	S	Bend	trans	-81.4	-16.6	-172.9	62.5	0	0	0	0	115	E376	E376-S380 WeakPolarHBondContact O-CB 3.45Å; E376-S380 PolarHBondContact O-OG 2.91Å
381	K	45.9	Very low	54.3	Low	197 Å²	197	103.2 Å²	103.2	86%	0.857	50%	0.503	S	S	*	.	S	Bend	trans	-120	-13.9	-177.1	-77.2	-177.8	179.2	174.3	0	116.2
382	K	44.9	Very low	56.6	Low	120 Å²	120	97.3 Å²	97.3	52%	0.522	47%	0.473	S	S	.	.	S	Bend	trans	-105.8	103.9	171.3	-76.7	178.6	178.9	173.4	0	107.6	I384	K382-I384 PolarHBondContact O-N 3.18Å
383	R	44.5	Very low	59.2	Low	223 Å²	223	90.5 Å²	90.5	84%	0.842	44%	0.437	S	S	*	.			trans	-32.2	134.4	169	-76	177.2	166.9	168.3	-4.6	109.4	C385	R383-C385 VanDerWaalsContact C-N 3.25Å; R383-C385 HydrophobicContact CB-CB 4.28Å; R383-C385 WeakPolarHBondContact O-CA 3.24Å; R383-C385 WeakPolarHBondContact O-CB 2.98Å; R383-C385 PolarHBondContact O-N 3.26Å
384	I	55.1	Low	61.7	Low	89 Å²	89	84.3 Å²	84.3	46%	0.456	40%	0.404	S	S	.	.	S	Bend	trans	-50.5	101	163	-64.3	167.1	0	0	0	105.3	L359 L362 D363 K382	L359-I384 HydrophobicContact CD1-CG1 4.48Å; L359-I384 HydrophobicContact CD1-CG2 4.18Å; L362-I384 HydrophobicContact CB-CD1 4.12Å; D363-I384 HydrophobicContact CB-CG2 4.24Å; K382-I384 PolarHBondContact O-N 3.18Å
385	C	62.4	Low	64.2	Low	44 Å²	44	75 Å²	75	30%	0.297	36%	0.364	S	S	.	.			trans	-137.9	141.5	-162.7	-180	0	0	0	0	106.7	R383 M387 T388	R383-C385 VanDerWaalsContact C-N 3.25Å; R383-C385 HydrophobicContact CB-CB 4.28Å; R383-C385 WeakPolarHBondContact O-CA 3.24Å; R383-C385 WeakPolarHBondContact O-CB 2.98Å; R383-C385 PolarHBondContact O-N 3.26Å; C385-M387 HydrophobicContact CB-CB 4.46Å; C385-M387 PolarHBondContact O-N 3.24Å; C385-T388 PolarHBondContact O-N 2.81Å
386	P	71.6	Confident	66.4	Low	79 Å²	79	71.2 Å²	71.2	51%	0.513	35%	0.345	S	S	.	.	H	α-helix	trans	-38.1	-29.8	168.4	-36.7	38	0	0	0	115	F389 R390 I539	P386-F389 PolarHBondContact O-N 2.75Å; P386-R390 WeakPolarHBondContact O-CG 3.18Å; P386-R390 PolarHBondContact O-N 2.97Å; P386-I539 HydrophobicContact CB-CD1 3.62Å
387	M	77.9	Confident	68.6	Low	75 Å²	75	66 Å²	66	37%	0.369	32%	0.32	S	S	.	.	H	α-helix	trans	-60.8	-43.9	176.9	-64.5	-56.4	-66.3	0	0	114.2	C385 F389 R390 H391 F443	C385-M387 HydrophobicContact CB-CB 4.46Å; C385-M387 PolarHBondContact O-N 3.24Å; M387-F389 VanDerWaalsContact C-N 3.33Å; M387-F389 PolarHBondContact O-N 2.89Å; M387-R390 WeakPolarHBondContact O-CB 3.06Å; M387-R390 PolarHBondContact O-N 3.31Å; M387-R390 VanDerWaalsContact O-N 3.11Å; M387-H391 PolarHBondContact O-CD2 3.24Å; M387-H391 PolarHBondContact O-N 3.12Å; M387-F443 HydrophobicContact CE-CD1 4.47Å; M387-F443 HydrophobicContact CE-CE1 3.24Å; M387-F443 HydrophobicContact CE-CZ 3.49Å; M387-F443 VanDerWaalsContact CE-CZ 3.49Å
388	T	80.1	Confident	70.7	Confident	23 Å²	23	59.4 Å²	59.4	14%	0.141	29%	0.285	C	S	.	.	H	α-helix	trans	-66.9	-37.6	-179.8	-48.6	0	0	0	0	111	L359 C385 R390 H391 I392 L399	L359-T388 HydrophobicContact CD2-CG2 3.84Å; C385-T388 PolarHBondContact O-N 2.81Å; T388-R390 VanDerWaalsContact C-N 3.28Å; T388-R390 PolarHBondContact O-N 2.83Å; T388-H391 PolarHBondContact O-N 2.75Å; T388-I392 HydrophobicContact CG2-CD1 4.32Å; T388-I392 WeakPolarHBondContact O-CG1 3.41Å; T388-I392 PolarHBondContact O-N 3.19Å; T388-L399 HydrophobicContact CG2-CD2 3.89Å
389	F	83.7	Confident	72.4	Confident	29 Å²	29	56.7 Å²	56.7	13%	0.127	27%	0.274	C	S	.	.	H	α-helix	trans	-59.9	-38.7	171.9	-76.9	-67.5	0	0	0	112.3	L359 R360 P386 M387 A393 I539	L359-F389 HydrophobicContact CB-CE1 3.91Å; L359-F389 HydrophobicContact CB-CZ 4.03Å; L359-F389 HydrophobicContact CD2-CD1 3.64Å; L359-F389 HydrophobicContact CD2-CD2 3.79Å; L359-F389 HydrophobicContact CD2-CE1 3.55Å; L359-F389 HydrophobicContact CD2-CE2 3.74Å; L359-F389 HydrophobicContact CD2-CG 3.75Å; L359-F389 HydrophobicContact CD2-CZ 3.62Å; L359-F389 HydrophobicContact CG-CD1 4.32Å; L359-F389 HydrophobicContact CG-CD2 4.42Å; L359-F389 HydrophobicContact CG-CE1 3.71Å; L359-F389 HydrophobicContact CG-CE2 3.85Å; L359-F389 HydrophobicContact CG-CZ 3.47Å; L359-F389 VanDerWaalsContact CG-CZ 3.47Å; R360-F389 HydrophobicContact CG-CE1 3.81Å; R360-F389 HydrophobicContact CG-CZ 4.02Å; P386-F389 PolarHBondContact O-N 2.75Å; M387-F389 VanDerWaalsContact C-N 3.33Å; M387-F389 PolarHBondContact O-N 2.89Å; F389-A393 WeakPolarHBondContact O-CB 3.32Å; F389-A393 PolarHBondContact O-N 3.42Å; F389-I539 HydrophobicContact CB-CB 4.22Å; F389-I539 HydrophobicContact CB-CD1 4.43Å; F389-I539 HydrophobicContact CB-CG2 3.86Å
390	R	87.7	Confident	73.4	Confident	52 Å²	52	56 Å²	56	20%	0.196	27%	0.274	C	S	.	.	H	α-helix	trans	-69.6	-37.9	176.7	-67.2	173.9	70.8	-163.9	1	112.4	P386 M387 T388 A393 N394 F443 I539 M543	P386-R390 WeakPolarHBondContact O-CG 3.18Å; P386-R390 PolarHBondContact O-N 2.97Å; M387-R390 WeakPolarHBondContact O-CB 3.06Å; M387-R390 PolarHBondContact O-N 3.31Å; M387-R390 VanDerWaalsContact O-N 3.11Å; T388-R390 VanDerWaalsContact C-N 3.28Å; T388-R390 PolarHBondContact O-N 2.83Å; R390-A393 PolarHBondContact O-N 2.95Å; R390-N394 PolarHBondContact O-N 2.78Å; R390-N394 PolarHBondContact O-ND2 2.72Å; R390-F443 HydrophobicContact CB-CE2 4.18Å; R390-F443 HydrophobicContact CB-CZ 4.12Å; R390-I539 HydrophobicContact CG-CD1 4.43Å; R390-I539 HydrophobicContact CG-CG2 3.6Å; R390-M543 HydrophobicContact CG-SD 4.21Å
391	H	87.2	Confident	74.1	Confident	19 Å²	19	57.7 Å²	57.7	9%	0.088	28%	0.277	C	S	.	.	H	α-helix	trans	-60.2	-52	173.9	-76.6	-146.4	0	0	0	110.2	M387 T388 A393 N394 H395 L398 L399 F443	M387-H391 PolarHBondContact O-CD2 3.24Å; M387-H391 PolarHBondContact O-N 3.12Å; T388-H391 PolarHBondContact O-N 2.75Å; H391-A393 VanDerWaalsContact C-N 3.31Å; H391-A393 PolarHBondContact O-N 3.25Å; H391-N394 PolarHBondContact O-N 3.13Å; H391-H395 PolarHBondContact O-N 3.38Å; H391-H395 VanDerWaalsContact O-O 3.05Å; H391-L398 HydrophobicContact CB-CB 4.06Å; H391-L398 HydrophobicContact CB-CD1 4.49Å; H391-L398 PolarHBondContact ND1-O 2.78Å; H391-L399 HydrophobicContact CB-CD2 4.08Å; H391-F443 AromaticContact CD2-CE1 3.48Å; H391-F443 VanDerWaalsContact CD2-CE1 3.48Å; H391-F443 WeakPolarHBondContact CD2-CE1 3.28Å; H391-F443 AromaticContact CD2-CZ 3.58Å; H391-F443 AromaticContact NE2-CD1 3.47Å; H391-F443 WeakPolarHBondContact NE2-CD1 3.36Å; H391-F443 AromaticContact NE2-CE1 3.09Å; H391-F443 WeakPolarHBondContact NE2-CE1 3.27Å; H391-F443 AromaticContact NE2-CZ 3.72Å
392	I	86.2	Confident	74.3	Confident	4 Å²	4	53.8 Å²	53.8	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-56.7	-45.5	178.1	-64	160.5	0	0	0	111	Q352 P355 L359 T388 N394 L399	Q352-I392 HydrophobicContact CB-CG2 4.21Å; Q352-I392 PolarHBondContact NE2-O 2.83Å; Q352-I392 WeakPolarHBondContact O-CG2 3.48Å; P355-I392 HydrophobicContact CB-CD1 4.15Å; P355-I392 HydrophobicContact CB-CG1 4.35Å; L359-I392 HydrophobicContact CD2-CD1 3.91Å; T388-I392 HydrophobicContact CG2-CD1 4.32Å; T388-I392 WeakPolarHBondContact O-CG1 3.41Å; T388-I392 PolarHBondContact O-N 3.19Å; I392-N394 VanDerWaalsContact C-N 3.26Å; I392-N394 PolarHBondContact O-N 3.5Å; I392-L399 HydrophobicContact CD1-CD1 4.21Å; I392-L399 HydrophobicContact CG1-CD1 3.41Å; I392-L399 VanDerWaalsContact CG1-CD1 3.41Å; I392-L399 HydrophobicContact CG1-CD2 4.16Å; I392-L399 HydrophobicContact CG1-CG 4.18Å
393	A	88.5	Confident	74.8	Confident	2 Å²	2	53 Å²	53	2%	0.017	27%	0.268	C	S	.	.	H	α-helix	trans	-64.1	-29	180	0	0	0	0	0	113.3	F389 R390 H391 K418 A535 T538	F389-A393 WeakPolarHBondContact O-CB 3.32Å; F389-A393 PolarHBondContact O-N 3.42Å; R390-A393 PolarHBondContact O-N 2.95Å; H391-A393 VanDerWaalsContact C-N 3.31Å; H391-A393 PolarHBondContact O-N 3.25Å; A393-K418 WeakPolarHBondContact O-CD 2.98Å; A393-K418 WeakPolarHBondContact O-CE 3.45Å; A393-A535 HydrophobicContact CB-CB 4.21Å; A393-T538 HydrophobicContact CB-CG2 4.42Å
394	N	89.6	Confident	75.5	Confident	11 Å²	11	43.9 Å²	43.9	6%	0.059	24%	0.237	C	C	.	.	H	α-helix	trans	-80.6	-60.9	176.4	-72	-20.1	0	0	0	111.9	R390 H391 I392 L398 S416 K418 F443 M446	R390-N394 PolarHBondContact O-N 2.78Å; R390-N394 PolarHBondContact O-ND2 2.72Å; H391-N394 PolarHBondContact O-N 3.13Å; I392-N394 VanDerWaalsContact C-N 3.26Å; I392-N394 PolarHBondContact O-N 3.5Å; N394-L398 HydrophobicContact CB-CD1 3.85Å; N394-S416 PolarHBondContact O-OG 3.26Å; N394-K418 PolarHBondContact OD1-NZ 3.01Å; N394-F443 WeakPolarHBondContact ND2-CD2 3.45Å; N394-F443 WeakPolarHBondContact ND2-CE2 3.43Å; N394-M446 HydrophobicContact CB-SD 4.23Å
395	H	90.1	Very high	75.6	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.254	C	S	.	.			trans	-159.9	136.9	-178.7	-162	-81.2	0	0	0	111.4	H391 F397 L398 L412 S416 M446 L449	H391-H395 PolarHBondContact O-N 3.38Å; H391-H395 VanDerWaalsContact O-O 3.05Å; H395-F397 VanDerWaalsContact C-N 3.34Å; H395-F397 AromaticContact CE1-CD1 3.93Å; H395-F397 AromaticContact CE1-CD2 3.24Å; H395-F397 WeakPolarHBondContact CE1-CD2 3.43Å; H395-F397 AromaticContact CE1-CE2 3.71Å; H395-F397 AromaticContact CE1-CG 3.34Å; H395-F397 WeakPolarHBondContact CE1-CG 3.48Å; H395-F397 WeakPolarHBondContact ND1-CB 3.39Å; H395-F397 AromaticContact ND1-CD2 3.74Å; H395-F397 AromaticContact ND1-CG 3.51Å; H395-F397 PolarHBondContact ND1-N 3.31Å; H395-F397 PolarHBondContact O-N 2.94Å; H395-L398 HydrophobicContact CB-CD1 4.23Å; H395-L398 HydrophobicContact CB-CG 4.17Å; H395-L398 WeakPolarHBondContact O-CB 2.95Å; H395-L398 PolarHBondContact O-N 3.46Å; H395-L412 PolarHBondContact NE2-O 3.07Å; H395-S416 WeakPolarHBondContact CD2-CB 3.42Å; H395-M446 HydrophobicContact CB-SD 4Å; H395-L449 HydrophobicContact CB-CD1 4.01Å
396	P	86.8	Confident	75.6	Confident	10 Å²	10	54.9 Å²	54.9	7%	0.065	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-62.2	-35.8	179.2	24.1	-34.1	0	0	0	113.6	L351 Q352 L398 L399 N415	L351-P396 HydrophobicContact CB-CB 4.43Å; L351-P396 HydrophobicContact CB-CG 4.39Å; Q352-P396 HydrophobicContact CG-CB 4.36Å; Q352-P396 HydrophobicContact CG-CG 4.25Å; P396-L398 PolarHBondContact O-N 2.94Å; P396-L399 WeakPolarHBondContact O-CB 3.33Å; P396-L399 PolarHBondContact O-N 2.74Å; P396-N415 VanDerWaalsContact CD-O 3.29Å; P396-N415 WeakPolarHBondContact CD-O 3.43Å; P396-N415 HydrophobicContact CG-CB 4.06Å; P396-N415 VanDerWaalsContact CG-O 3.24Å; P396-N415 WeakPolarHBondContact CG-O 3.38Å
397	F	86	Confident	75.4	Confident	9 Å²	9	52 Å²	52	4%	0.039	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-62.3	-15.3	178.9	-58.9	-17.6	0	0	0	114.4	H395 L399 N400 E403 A407 L412 L449 W452	H395-F397 VanDerWaalsContact C-N 3.34Å; H395-F397 AromaticContact CE1-CD1 3.93Å; H395-F397 AromaticContact CE1-CD2 3.24Å; H395-F397 WeakPolarHBondContact CE1-CD2 3.43Å; H395-F397 AromaticContact CE1-CE2 3.71Å; H395-F397 AromaticContact CE1-CG 3.34Å; H395-F397 WeakPolarHBondContact CE1-CG 3.48Å; H395-F397 WeakPolarHBondContact ND1-CB 3.39Å; H395-F397 AromaticContact ND1-CD2 3.74Å; H395-F397 AromaticContact ND1-CG 3.51Å; H395-F397 PolarHBondContact ND1-N 3.31Å; H395-F397 PolarHBondContact O-N 2.94Å; F397-L399 PolarHBondContact O-N 2.92Å; F397-L399 VanDerWaalsContact O-N 3.12Å; F397-N400 PolarHBondContact O-N 2.81Å; F397-E403 HydrophobicContact CD1-CB 4.35Å; F397-E403 HydrophobicContact CE1-CB 4.38Å; F397-A407 HydrophobicContact CE2-CB 3.69Å; F397-A407 HydrophobicContact CZ-CB 3.55Å; F397-L412 HydrophobicContact CD2-CD1 3.82Å; F397-L412 HydrophobicContact CE2-CB 4.43Å; F397-L412 HydrophobicContact CE2-CD1 4.05Å; F397-L449 HydrophobicContact CB-CD1 4.32Å; F397-L449 HydrophobicContact CB-CD2 4.39Å; F397-W452 HydrophobicContact CD2-CZ3 4.21Å; F397-W452 HydrophobicContact CE2-CZ3 4.21Å
398	L	85.3	Confident	75.6	Confident	17 Å²	17	51.1 Å²	51.1	9%	0.089	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-68.9	-5	171.5	-63.8	174.2	0	0	0	113.6	H391 N394 H395 P396 E445 M446 L449	H391-L398 HydrophobicContact CB-CB 4.06Å; H391-L398 HydrophobicContact CB-CD1 4.49Å; H391-L398 PolarHBondContact ND1-O 2.78Å; N394-L398 HydrophobicContact CB-CD1 3.85Å; H395-L398 HydrophobicContact CB-CD1 4.23Å; H395-L398 HydrophobicContact CB-CG 4.17Å; H395-L398 WeakPolarHBondContact O-CB 2.95Å; H395-L398 PolarHBondContact O-N 3.46Å; P396-L398 PolarHBondContact O-N 2.94Å; L398-E445 HydrophobicContact CD2-CB 3.72Å; L398-M446 HydrophobicContact CD1-CB 4.36Å; L398-M446 HydrophobicContact CD1-SD 4.07Å; L398-M446 HydrophobicContact CD2-CB 4.38Å; L398-L449 HydrophobicContact CD2-CD1 3.66Å; L398-L449 HydrophobicContact CD2-CG 4.49Å; L398-L449 HydrophobicContact CG-CD1 3.92Å
399	L	77.4	Confident	75.6	Confident	21 Å²	21	50.3 Å²	50.3	11%	0.11	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-102.7	-17.5	177.9	-61.7	175.7	0	0	0	113.9	P355 F378 T388 H391 I392 P396 F397	P355-L399 HydrophobicContact CB-CD1 4.13Å; F378-L399 VanDerWaalsContact CD1-O 3.26Å; F378-L399 WeakPolarHBondContact CD1-O 3.4Å; F378-L399 WeakPolarHBondContact CE1-O 3.47Å; F378-L399 WeakPolarHBondContact CE2-O 2.71Å; F378-L399 WeakPolarHBondContact CZ-O 3.25Å; T388-L399 HydrophobicContact CG2-CD2 3.89Å; H391-L399 HydrophobicContact CB-CD2 4.08Å; I392-L399 HydrophobicContact CD1-CD1 4.21Å; I392-L399 HydrophobicContact CG1-CD1 3.41Å; I392-L399 VanDerWaalsContact CG1-CD1 3.41Å; I392-L399 HydrophobicContact CG1-CD2 4.16Å; I392-L399 HydrophobicContact CG1-CG 4.18Å; P396-L399 WeakPolarHBondContact O-CB 3.33Å; P396-L399 PolarHBondContact O-N 2.74Å; F397-L399 PolarHBondContact O-N 2.92Å; F397-L399 VanDerWaalsContact O-N 3.12Å
400	N	66.3	Low	75.8	Confident	69 Å²	69	50.4 Å²	50.4	37%	0.369	27%	0.266	S	S	.	.			trans	-153.4	107.3	-174.4	-79.3	-27.6	0	0	0	109.9	F397 V402 E403	F397-N400 PolarHBondContact O-N 2.81Å; N400-V402 PolarHBondContact O-N 3.03Å; N400-E403 PolarHBondContact O-N 3.21Å
401	D	59	Low	75.7	Confident	118 Å²	118	51 Å²	51	63%	0.631	27%	0.273	S	S	*	.	H	α-helix	trans	-63.2	-23.7	179.7	-58.1	-30.1	0	0	0	112.9	E403 S404	D401-E403 PolarHBondContact O-N 3.46Å; D401-S404 PolarHBondContact O-N 3.44Å; D401-S404 PolarHBondContact O-OG 3.39Å
402	V	49.5	Very low	75.7	Confident	116 Å²	116	50 Å²	50	70%	0.703	27%	0.269	S	S	*	.	H	α-helix	trans	-74.5	-27.6	-173.6	-171.2	0	0	0	0	112.5	N400	N400-V402 PolarHBondContact O-N 3.03Å
403	E	56	Low	75.9	Confident	104 Å²	104	50 Å²	50	49%	0.486	27%	0.269	S	S	.	.	H	α-helix	trans	-80.3	-25.6	179.2	-72.9	179.8	179	0	0	112.2	F397 N400 D401 A407	F397-E403 HydrophobicContact CD1-CB 4.35Å; F397-E403 HydrophobicContact CE1-CB 4.38Å; N400-E403 PolarHBondContact O-N 3.21Å; D401-E403 PolarHBondContact O-N 3.46Å; E403-A407 WeakPolarHBondContact O-CB 3.43Å; E403-A407 PolarHBondContact O-N 3.1Å
404	S	58.9	Low	75.9	Confident	30 Å²	30	54.5 Å²	54.5	21%	0.21	29%	0.293	C	S	.	.	H	α-helix	trans	-67.9	-33.5	179	33.4	0	0	0	0	113.7	D401 K406 A407 W452	D401-S404 PolarHBondContact O-N 3.44Å; D401-S404 PolarHBondContact O-OG 3.39Å; S404-K406 VanDerWaalsContact C-N 3.28Å; S404-K406 PolarHBondContact O-N 3.32Å; S404-A407 PolarHBondContact O-N 3.17Å; S404-W452 VanDerWaalsContact O-CH2 3.3Å; S404-W452 WeakPolarHBondContact O-CH2 3.49Å
405	E	58.1	Low	75.9	Confident	172 Å²	172	55.6 Å²	55.6	80%	0.804	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-23.1	-175.2	-67.2	-174.5	168.4	0	0	114
406	K	61	Low	75.9	Confident	193 Å²	193	55.6 Å²	55.6	84%	0.839	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-11.8	-179.3	-65.2	-176	-177.3	178	0	113.8	S404	S404-K406 VanDerWaalsContact C-N 3.28Å; S404-K406 PolarHBondContact O-N 3.32Å
407	A	68.9	Low	76.1	Confident	19 Å²	19	55.1 Å²	55.1	16%	0.157	30%	0.295	C	S	.	.			trans	-75.6	142.9	-175.7	0	0	0	0	0	110.7	F397 E403 S404 D411 W452	F397-A407 HydrophobicContact CE2-CB 3.69Å; F397-A407 HydrophobicContact CZ-CB 3.55Å; E403-A407 WeakPolarHBondContact O-CB 3.43Å; E403-A407 PolarHBondContact O-N 3.1Å; S404-A407 PolarHBondContact O-N 3.17Å; A407-D411 HydrophobicContact CB-CB 4.07Å; A407-W452 HydrophobicContact CB-CH2 3.93Å; A407-W452 VanDerWaalsContact O-CH2 3.31Å; A407-W452 WeakPolarHBondContact O-CH2 3.37Å; A407-W452 WeakPolarHBondContact O-CZ2 3.5Å
408	S	80.7	Confident	76.4	Confident	55 Å²	55	55.4 Å²	55.4	39%	0.385	30%	0.297	S	S	.	.			trans	-79.4	160.7	170.9	71.6	0	0	0	0	110.6	A410 D411 L412	S408-A410 PolarHBondContact O-N 3.11Å; S408-A410 VanDerWaalsContact O-N 3.13Å; S408-A410 PolarHBondContact OG-N 3.45Å; S408-D411 WeakPolarHBondContact CB-OD2 3.38Å; S408-D411 PolarHBondContact N-OD2 3.23Å; S408-D411 WeakPolarHBondContact O-CB 3.41Å; S408-D411 PolarHBondContact O-N 3.45Å; S408-D411 PolarHBondContact OG-N 3.11Å; S408-D411 PolarHBondContact OG-OD2 2.99Å; S408-L412 PolarHBondContact O-N 2.9Å; S408-L412 VanDerWaalsContact O-N 3.15Å
409	G	81.7	Confident	76.7	Confident	7 Å²	7	54.7 Å²	54.7	7%	0.072	29%	0.293	C	S	.	.	H	α-helix	trans	-60.1	-22.8	172.9	0	0	0	0	0	113.6	V413 Y456	G409-V413 PolarHBondContact O-N 2.77Å; G409-Y456 VanDerWaalsContact C-CE1 3.44Å; G409-Y456 WeakPolarHBondContact O-CD1 3.15Å; G409-Y456 WeakPolarHBondContact O-CE1 3.39Å
410	A	86	Confident	77.4	Confident	31 Å²	31	56.8 Å²	56.8	26%	0.256	30%	0.303	S	S	.	.	H	α-helix	trans	-71.2	-38.2	171.6	0	0	0	0	0	112	S408 L412 V413 N414	S408-A410 PolarHBondContact O-N 3.11Å; S408-A410 VanDerWaalsContact O-N 3.13Å; S408-A410 PolarHBondContact OG-N 3.45Å; A410-L412 VanDerWaalsContact C-N 3.32Å; A410-L412 PolarHBondContact O-N 2.76Å; A410-V413 PolarHBondContact O-N 2.95Å; A410-N414 WeakPolarHBondContact O-CB 3.34Å; A410-N414 VanDerWaalsContact O-CG 3.29Å; A410-N414 PolarHBondContact O-N 3.14Å; A410-N414 PolarHBondContact O-ND2 3.3Å
411	D	86.5	Confident	78.7	Confident	63 Å²	63	56.1 Å²	56.1	34%	0.337	30%	0.299	S	S	.	.	H	α-helix	trans	-64.8	-38.7	176.4	-59.6	-44.9	0	0	0	110.9	A407 S408 V413 N414 N415	A407-D411 HydrophobicContact CB-CB 4.07Å; S408-D411 WeakPolarHBondContact CB-OD2 3.38Å; S408-D411 PolarHBondContact N-OD2 3.23Å; S408-D411 WeakPolarHBondContact O-CB 3.41Å; S408-D411 PolarHBondContact O-N 3.45Å; S408-D411 PolarHBondContact OG-N 3.11Å; S408-D411 PolarHBondContact OG-OD2 2.99Å; D411-V413 VanDerWaalsContact C-N 3.26Å; D411-V413 PolarHBondContact O-N 3.25Å; D411-N414 PolarHBondContact O-N 3.38Å; D411-N415 WeakPolarHBondContact O-CB 3.37Å; D411-N415 PolarHBondContact O-N 3.39Å; D411-N415 PolarHBondContact O-ND2 3.32Å
412	L	87.9	Confident	80.3	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-56.4	-40.2	173.5	-176.7	71.6	0	0	0	112.2	H395 F397 S408 A410 L449 W452	H395-L412 PolarHBondContact NE2-O 3.07Å; F397-L412 HydrophobicContact CD2-CD1 3.82Å; F397-L412 HydrophobicContact CE2-CB 4.43Å; F397-L412 HydrophobicContact CE2-CD1 4.05Å; S408-L412 PolarHBondContact O-N 2.9Å; S408-L412 VanDerWaalsContact O-N 3.15Å; A410-L412 VanDerWaalsContact C-N 3.32Å; A410-L412 PolarHBondContact O-N 2.76Å; L412-L449 HydrophobicContact CD1-CB 4.39Å; L412-L449 HydrophobicContact CD1-CD2 4.07Å; L412-W452 HydrophobicContact CB-CZ3 4.44Å; L412-W452 HydrophobicContact CD1-CE3 3.93Å; L412-W452 HydrophobicContact CD1-CZ3 4.02Å; L412-W452 HydrophobicContact CD2-CB 4.48Å; L412-W452 HydrophobicContact CD2-CD2 4.01Å; L412-W452 HydrophobicContact CD2-CE3 3.85Å; L412-W452 HydrophobicContact CD2-CG 4.31Å; L412-W452 HydrophobicContact CD2-CZ3 4.48Å; L412-W452 HydrophobicContact CG-CE3 4.35Å
413	V	89.5	Confident	82.4	Confident	4 Å²	4	46 Å²	46	2%	0.024	24%	0.241	C	C	.	.	H	α-helix	trans	-76.6	-46.8	179.6	178.1	0	0	0	0	111.5	G409 A410 D411 N415 M420 D423 Y453 Y456	G409-V413 PolarHBondContact O-N 2.77Å; A410-V413 PolarHBondContact O-N 2.95Å; D411-V413 VanDerWaalsContact C-N 3.26Å; D411-V413 PolarHBondContact O-N 3.25Å; V413-N415 VanDerWaalsContact C-N 3.32Å; V413-N415 PolarHBondContact O-N 2.94Å; V413-M420 WeakPolarHBondContact O-CG 3.48Å; V413-M420 PolarHBondContact O-N 3.28Å; V413-D423 HydrophobicContact CG1-CB 3.68Å; V413-D423 HydrophobicContact CG2-CB 4.48Å; V413-Y453 HydrophobicContact CG2-CD2 3.69Å; V413-Y453 HydrophobicContact CG2-CE2 3.62Å; V413-Y456 HydrophobicContact CG2-CE1 4.48Å
414	N	89.5	Confident	84.1	Confident	95 Å²	95	48.4 Å²	48.4	51%	0.508	25%	0.249	S	C	.	.	H	α-helix	trans	-72	-27.1	-172.4	-68.6	-28	0	0	0	112.9	A410 D411 S416	A410-N414 WeakPolarHBondContact O-CB 3.34Å; A410-N414 VanDerWaalsContact O-CG 3.29Å; A410-N414 PolarHBondContact O-N 3.14Å; A410-N414 PolarHBondContact O-ND2 3.3Å; D411-N414 PolarHBondContact O-N 3.38Å; N414-S416 VanDerWaalsContact C-N 3.34Å; N414-S416 PolarHBondContact O-N 2.78Å
415	N	88.4	Confident	85.6	Confident	34 Å²	34	48.7 Å²	48.7	18%	0.182	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	1	-175.3	-68	-32.6	0	0	0	114.4	S349 L351 P396 D411 V413	S349-N415 VanDerWaalsContact CB-O 3.27Å; S349-N415 WeakPolarHBondContact CB-O 3.29Å; S349-N415 PolarHBondContact OG-O 2.9Å; L351-N415 HydrophobicContact CD1-CB 3.89Å; L351-N415 VanDerWaalsContact CD1-OD1 3.29Å; L351-N415 WeakPolarHBondContact CD1-OD1 3.42Å; P396-N415 VanDerWaalsContact CD-O 3.29Å; P396-N415 WeakPolarHBondContact CD-O 3.43Å; P396-N415 HydrophobicContact CG-CB 4.06Å; P396-N415 VanDerWaalsContact CG-O 3.24Å; P396-N415 WeakPolarHBondContact CG-O 3.38Å; D411-N415 WeakPolarHBondContact O-CB 3.37Å; D411-N415 PolarHBondContact O-N 3.39Å; D411-N415 PolarHBondContact O-ND2 3.32Å; V413-N415 VanDerWaalsContact C-N 3.32Å; V413-N415 PolarHBondContact O-N 2.94Å
416	S	90.8	Very high	87.3	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.21	C	C	.	.			trans	-133.7	126.9	170.6	171.6	0	0	0	0	111.5	Q352 N394 H395 N414 K418 M419 M420	Q352-S416 PolarHBondContact NE2-OG 3.32Å; N394-S416 PolarHBondContact O-OG 3.26Å; H395-S416 WeakPolarHBondContact CD2-CB 3.42Å; N414-S416 VanDerWaalsContact C-N 3.34Å; N414-S416 PolarHBondContact O-N 2.78Å; S416-K418 PolarHBondContact O-N 2.78Å; S416-K418 PolarHBondContact OG-N 2.94Å; S416-M419 PolarHBondContact O-N 3.39Å; S416-M419 VanDerWaalsContact O-N 3.07Å; S416-M419 PolarHBondContact OG-N 2.91Å; S416-M420 WeakPolarHBondContact O-CG 3.45Å; S416-M420 PolarHBondContact O-N 3.31Å
417	G	90.7	Very high	88.8	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.8	-27.6	178	0	0	0	0	0	114	P347 I421	P347-G417 WeakPolarHBondContact O-CA 3.32Å; G417-I421 WeakPolarHBondContact O-CG1 3.5Å; G417-I421 PolarHBondContact O-N 3.28Å
418	K	92.2	Very high	89.8	Confident	15 Å²	15	35 Å²	35	7%	0.065	19%	0.19	C	C	.	.	H	α-helix	trans	-68.9	-45	171	-68.6	-172.9	-173.1	178	0	111.5	T346 A393 N394 S416 M420 I421 M422 L533 D540	T346-K418 HydrophobicContact CG2-CG 4.4Å; T346-K418 WeakPolarHBondContact OG1-CG 3.32Å; A393-K418 WeakPolarHBondContact O-CD 2.98Å; A393-K418 WeakPolarHBondContact O-CE 3.45Å; N394-K418 PolarHBondContact OD1-NZ 3.01Å; S416-K418 PolarHBondContact O-N 2.78Å; S416-K418 PolarHBondContact OG-N 2.94Å; K418-M420 PolarHBondContact O-N 3.44Å; K418-I421 PolarHBondContact O-N 2.92Å; K418-M422 VanDerWaalsContact O-CB 3.25Å; K418-M422 WeakPolarHBondContact O-CB 3.34Å; K418-M422 PolarHBondContact O-N 2.93Å; K418-L533 HydrophobicContact CB-CD1 4.39Å; K418-L533 HydrophobicContact CD-CB 4.32Å; K418-L533 HydrophobicContact CG-CB 4.36Å; K418-D540 WeakPolarHBondContact CE-OD2 3.33Å; K418-D540 IonicContact NZ-OD1 3.63Å; K418-D540 IonicContact NZ-OD2 3.51Å; K418-D540 PolarHBondContact NZ-OD2 3.49Å
419	M	92.4	Very high	90.3	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-63.4	-40.7	179.2	-68.6	-60.2	-67.4	0	0	111.9	S416 I421 M422 D423 M446 L450 Y453	S416-M419 PolarHBondContact O-N 3.39Å; S416-M419 VanDerWaalsContact O-N 3.07Å; S416-M419 PolarHBondContact OG-N 2.91Å; M419-I421 PolarHBondContact O-N 3.15Å; M419-M422 HydrophobicContact CE-CE 3.45Å; M419-M422 VanDerWaalsContact CE-CE 3.45Å; M419-M422 PolarHBondContact O-N 3.49Å; M419-M422 HydrophobicContact SD-CE 3.36Å; M419-M422 WeakPolarHBondContact SD-CE 3.43Å; M419-M422 HydrophobicContact SD-SD 4.48Å; M419-D423 WeakPolarHBondContact O-CB 3.45Å; M419-D423 PolarHBondContact O-N 2.87Å; M419-M446 HydrophobicContact SD-CE 3.78Å; M419-L450 HydrophobicContact CE-CD2 4.28Å; M419-L450 HydrophobicContact SD-CD2 4.13Å; M419-Y453 HydrophobicContact CE-CD1 4.27Å; M419-Y453 HydrophobicContact CE-CD2 3.68Å; M419-Y453 HydrophobicContact CE-CE2 4.37Å; M419-Y453 HydrophobicContact CE-CG 3.62Å
420	M	91.6	Very high	90.7	Very high	66 Å²	66	37.6 Å²	37.6	33%	0.325	19%	0.193	S	C	.	.	H	α-helix	trans	-58.3	-45	176.4	-68.2	-165.3	-58.5	0	0	113.1	V413 S416 K418 K424	V413-M420 WeakPolarHBondContact O-CG 3.48Å; V413-M420 PolarHBondContact O-N 3.28Å; S416-M420 WeakPolarHBondContact O-CG 3.45Å; S416-M420 PolarHBondContact O-N 3.31Å; K418-M420 PolarHBondContact O-N 3.44Å; M420-K424 WeakPolarHBondContact O-CG 3.33Å; M420-K424 PolarHBondContact O-N 3.29Å
421	I	92.4	Very high	90.9	Very high	55 Å²	55	45.1 Å²	45.1	28%	0.282	22%	0.215	S	C	.	.	H	α-helix	trans	-72.6	-42	-179.8	-64.5	-59.8	0	0	0	110.7	V344 T346 G417 K418 M419 D423 K424 L425 L533	V344-I421 HydrophobicContact CG1-CG2 3.77Å; T346-I421 HydrophobicContact CG2-CB 4.08Å; T346-I421 HydrophobicContact CG2-CG1 3.85Å; T346-I421 HydrophobicContact CG2-CG2 4.41Å; G417-I421 WeakPolarHBondContact O-CG1 3.5Å; G417-I421 PolarHBondContact O-N 3.28Å; K418-I421 PolarHBondContact O-N 2.92Å; M419-I421 PolarHBondContact O-N 3.15Å; I421-D423 VanDerWaalsContact C-N 3.31Å; I421-D423 PolarHBondContact O-N 3.43Å; I421-K424 PolarHBondContact O-N 3.32Å; I421-L425 PolarHBondContact O-N 3.47Å; I421-L533 HydrophobicContact CG2-CD2 4.27Å
422	M	93	Very high	90.9	Very high	10 Å²	10	47.9 Å²	47.9	5%	0.049	23%	0.226	C	C	.	.	H	α-helix	trans	-61	-41	175.9	-171.4	-176.7	74.6	0	0	111.5	K418 M419 K424 L425 L426 I439 L450 Y453 L533	K418-M422 VanDerWaalsContact O-CB 3.25Å; K418-M422 WeakPolarHBondContact O-CB 3.34Å; K418-M422 PolarHBondContact O-N 2.93Å; M419-M422 HydrophobicContact CE-CE 3.45Å; M419-M422 VanDerWaalsContact CE-CE 3.45Å; M419-M422 PolarHBondContact O-N 3.49Å; M419-M422 HydrophobicContact SD-CE 3.36Å; M419-M422 WeakPolarHBondContact SD-CE 3.43Å; M419-M422 HydrophobicContact SD-SD 4.48Å; M422-K424 PolarHBondContact O-N 3.25Å; M422-L425 PolarHBondContact O-N 2.69Å; M422-L426 HydrophobicContact CE-CD1 4.21Å; M422-L426 HydrophobicContact CG-CD1 3.76Å; M422-L426 HydrophobicContact CG-CG 4.15Å; M422-L426 WeakPolarHBondContact O-CB 3.46Å; M422-L426 WeakPolarHBondContact O-CG 3.48Å; M422-L426 PolarHBondContact O-N 2.74Å; M422-L426 HydrophobicContact SD-CD1 4.32Å; M422-I439 HydrophobicContact SD-CD1 4.32Å; M422-L450 HydrophobicContact CE-CD2 3.49Å; M422-L450 VanDerWaalsContact CE-CD2 3.49Å; M422-L450 HydrophobicContact SD-CD2 4.06Å; M422-Y453 HydrophobicContact CE-CD1 4.17Å; M422-Y453 HydrophobicContact CE-CE1 4.13Å; M422-L533 HydrophobicContact CB-CD1 4.03Å; M422-L533 HydrophobicContact CG-CD1 4.46Å
423	D	93.2	Very high	90.7	Very high	12 Å²	12	49.7 Å²	49.7	6%	0.064	24%	0.244	C	C	.	.	H	α-helix	trans	-63.3	-43.1	179	-178.8	51.3	0	0	0	112.1	V413 M419 I421 L425 Q427 Y453 R457	V413-D423 HydrophobicContact CG1-CB 3.68Å; V413-D423 HydrophobicContact CG2-CB 4.48Å; M419-D423 WeakPolarHBondContact O-CB 3.45Å; M419-D423 PolarHBondContact O-N 2.87Å; I421-D423 VanDerWaalsContact C-N 3.31Å; I421-D423 PolarHBondContact O-N 3.43Å; D423-L425 PolarHBondContact O-N 3.4Å; D423-Q427 VanDerWaalsContact O-CB 3.31Å; D423-Q427 WeakPolarHBondContact O-CB 3.42Å; D423-Q427 VanDerWaalsContact O-CG 3.24Å; D423-Q427 WeakPolarHBondContact O-CG 3.31Å; D423-Q427 PolarHBondContact O-N 3.06Å; D423-Q427 PolarHBondContact OD1-NE2 3.48Å; D423-Q427 PolarHBondContact OD2-NE2 3.39Å; D423-Y453 VanDerWaalsContact CA-OH 3.31Å; D423-Y453 WeakPolarHBondContact CA-OH 3.18Å; D423-Y453 HydrophobicContact CB-CE2 4.09Å; D423-Y453 WeakPolarHBondContact OD1-CE2 3.19Å; D423-Y453 PolarHBondContact OD1-OH 3.06Å; D423-R457 IonicContact OD1-CZ 3.45Å; D423-R457 IonicContact OD1-NE 3.54Å; D423-R457 PolarHBondContact OD1-NE 2.89Å; D423-R457 IonicContact OD1-NH2 2.82Å; D423-R457 PolarHBondContact OD1-NH2 3.27Å; D423-R457 IonicContact OD2-CZ 3.47Å; D423-R457 IonicContact OD2-NE 2.8Å; D423-R457 IonicContact OD2-NH2 3.54Å; D423-R457 PolarHBondContact OD2-NH2 2.65Å
424	K	92	Very high	90.4	Very high	153 Å²	153	52.5 Å²	52.5	67%	0.665	27%	0.274	S	S	*	.	H	α-helix	trans	-62.1	-42.9	173.1	-71.9	-179.9	179.3	-178.1	0	112.1	M420 I421 M422 S428	M420-K424 WeakPolarHBondContact O-CG 3.33Å; M420-K424 PolarHBondContact O-N 3.29Å; I421-K424 PolarHBondContact O-N 3.32Å; M422-K424 PolarHBondContact O-N 3.25Å; K424-S428 PolarHBondContact O-N 2.85Å; K424-S428 VanDerWaalsContact O-N 3.13Å
425	L	92	Very high	90.2	Very high	36 Å²	36	50.6 Å²	50.6	19%	0.188	26%	0.262	C	S	.	.	H	α-helix	trans	-65.6	-50.3	-180	-177.8	66.8	0	0	0	111.6	I421 M422 D423 Q427 S428 L429 Y531	I421-L425 PolarHBondContact O-N 3.47Å; M422-L425 PolarHBondContact O-N 2.69Å; D423-L425 PolarHBondContact O-N 3.4Å; L425-Q427 PolarHBondContact O-N 2.76Å; L425-S428 WeakPolarHBondContact O-CB 3.44Å; L425-S428 PolarHBondContact O-N 2.76Å; L425-L429 HydrophobicContact CD1-CD1 4.4Å; L425-L429 HydrophobicContact CG-CD1 4.12Å; L425-L429 WeakPolarHBondContact O-CG 3.09Å; L425-L429 PolarHBondContact O-N 2.98Å; L425-Y531 HydrophobicContact CD1-CE1 4.42Å; L425-Y531 HydrophobicContact CD1-CE2 4.3Å; L425-Y531 HydrophobicContact CD2-CD1 4.37Å; L425-Y531 HydrophobicContact CD2-CD2 3.84Å; L425-Y531 HydrophobicContact CD2-CE2 4.12Å; L425-Y531 HydrophobicContact CD2-CG 3.97Å
426	L	92.8	Very high	90.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.3	-39.8	-178.8	-70.2	175.2	0	0	0	111.8	M422 S428 L429 F430 V437 I439 Y453 F459 F487 I488	M422-L426 HydrophobicContact CE-CD1 4.21Å; M422-L426 HydrophobicContact CG-CD1 3.76Å; M422-L426 HydrophobicContact CG-CG 4.15Å; M422-L426 WeakPolarHBondContact O-CB 3.46Å; M422-L426 WeakPolarHBondContact O-CG 3.48Å; M422-L426 PolarHBondContact O-N 2.74Å; M422-L426 HydrophobicContact SD-CD1 4.32Å; L426-S428 VanDerWaalsContact C-N 3.35Å; L426-S428 PolarHBondContact O-N 3.25Å; L426-L429 PolarHBondContact O-N 3.27Å; L426-F430 VanDerWaalsContact O-CB 3.25Å; L426-F430 WeakPolarHBondContact O-CB 3.35Å; L426-F430 PolarHBondContact O-N 3.12Å; L426-V437 HydrophobicContact CD2-CB 4.36Å; L426-V437 HydrophobicContact CD2-CG1 3.91Å; L426-V437 HydrophobicContact CD2-CG2 4.2Å; L426-I439 HydrophobicContact CD1-CD1 4.17Å; L426-Y453 HydrophobicContact CD1-CE1 3.65Å; L426-F459 HydrophobicContact CB-CE2 4.23Å; L426-F487 HydrophobicContact CD2-CE1 4.26Å; L426-I488 HydrophobicContact CD1-CD1 4.22Å; L426-I488 HydrophobicContact CD2-CD1 4.37Å
427	Q	92	Very high	90.2	Very high	46 Å²	46	50.2 Å²	50.2	22%	0.215	26%	0.259	C	S	.	.	H	α-helix	trans	-63.9	-37.8	173.9	-74.8	-178.7	54.8	0	0	112.8	D423 L425 R431 F459	D423-Q427 VanDerWaalsContact O-CB 3.31Å; D423-Q427 WeakPolarHBondContact O-CB 3.42Å; D423-Q427 VanDerWaalsContact O-CG 3.24Å; D423-Q427 WeakPolarHBondContact O-CG 3.31Å; D423-Q427 PolarHBondContact O-N 3.06Å; D423-Q427 PolarHBondContact OD1-NE2 3.48Å; D423-Q427 PolarHBondContact OD2-NE2 3.39Å; L425-Q427 PolarHBondContact O-N 2.76Å; Q427-R431 WeakPolarHBondContact O-CB 3.35Å; Q427-R431 WeakPolarHBondContact O-CG 3.5Å; Q427-R431 PolarHBondContact O-N 2.95Å; Q427-F459 HydrophobicContact CG-CZ 4.34Å
428	S	91.2	Very high	90.2	Very high	51 Å²	51	50.2 Å²	50.2	36%	0.357	26%	0.259	S	S	.	.	H	α-helix	trans	-62	-50.8	174.7	-161.4	0	0	0	0	110.7	K424 L425 L426 F430 R431 E432	K424-S428 PolarHBondContact O-N 2.85Å; K424-S428 VanDerWaalsContact O-N 3.13Å; L425-S428 WeakPolarHBondContact O-CB 3.44Å; L425-S428 PolarHBondContact O-N 2.76Å; L426-S428 VanDerWaalsContact C-N 3.35Å; L426-S428 PolarHBondContact O-N 3.25Å; S428-F430 VanDerWaalsContact C-N 3.31Å; S428-F430 PolarHBondContact O-N 2.8Å; S428-R431 PolarHBondContact O-N 3Å; S428-R431 VanDerWaalsContact O-N 3.17Å; S428-E432 WeakPolarHBondContact O-CG 3.48Å; S428-E432 PolarHBondContact O-N 3.02Å; S428-E432 PolarHBondContact OG-OE1 3.32Å
429	L	90.3	Very high	90.1	Very high	11 Å²	11	49.7 Å²	49.7	6%	0.058	26%	0.256	C	S	.	.	H	α-helix	trans	-62.8	-37.8	-179.4	-68.2	171.3	0	0	0	112.5	L425 L426 G433 V437 F487 T507	L425-L429 HydrophobicContact CD1-CD1 4.4Å; L425-L429 HydrophobicContact CG-CD1 4.12Å; L425-L429 WeakPolarHBondContact O-CG 3.09Å; L425-L429 PolarHBondContact O-N 2.98Å; L426-L429 PolarHBondContact O-N 3.27Å; L429-G433 PolarHBondContact O-N 3.02Å; L429-G433 VanDerWaalsContact O-N 3.12Å; L429-V437 HydrophobicContact CD1-CG2 4.09Å; L429-F487 HydrophobicContact CB-CE2 4.41Å; L429-F487 HydrophobicContact CB-CZ 3.96Å; L429-T507 HydrophobicContact CD1-CG2 3.92Å
430	F	89.9	Confident	89.8	Confident	105 Å²	105	49.7 Å²	49.7	46%	0.461	26%	0.256	S	S	.	.	H	α-helix	trans	-68.1	-38.3	176.8	-172.1	-100.3	0	0	0	112	L426 S428 G433 F459 F487	L426-F430 VanDerWaalsContact O-CB 3.25Å; L426-F430 WeakPolarHBondContact O-CB 3.35Å; L426-F430 PolarHBondContact O-N 3.12Å; S428-F430 VanDerWaalsContact C-N 3.31Å; S428-F430 PolarHBondContact O-N 2.8Å; F430-G433 PolarHBondContact O-N 2.83Å; F430-F459 HydrophobicContact CB-CE1 3.82Å; F430-F459 HydrophobicContact CB-CZ 4.33Å; F430-F459 HydrophobicContact CD1-CD1 4.36Å; F430-F459 AromaticContact CD1-CE1 3.75Å; F430-F459 HydrophobicContact CD1-CE1 3.75Å; F430-F459 AromaticContact CD2-CD1 3.69Å; F430-F459 HydrophobicContact CD2-CD1 3.69Å; F430-F459 AromaticContact CD2-CE1 3.72Å; F430-F459 HydrophobicContact CD2-CE1 3.72Å; F430-F459 HydrophobicContact CE1-CD1 4.49Å; F430-F459 HydrophobicContact CE1-CE1 4.21Å; F430-F459 AromaticContact CE2-CD1 3.85Å; F430-F459 HydrophobicContact CE2-CD1 3.85Å; F430-F459 HydrophobicContact CE2-CE1 4.19Å; F430-F459 AromaticContact CG-CD1 3.96Å; F430-F459 HydrophobicContact CG-CD1 3.96Å; F430-F459 AromaticContact CG-CE1 3.47Å; F430-F459 HydrophobicContact CG-CE1 3.47Å; F430-F459 VanDerWaalsContact CG-CE1 3.47Å; F430-F459 HydrophobicContact CG-CZ 4.42Å; F430-F459 HydrophobicContact CZ-CD1 4.25Å; F430-F459 HydrophobicContact CZ-CE1 4.42Å; F430-F487 HydrophobicContact CB-CE1 3.99Å; F430-F487 HydrophobicContact CB-CZ 3.96Å; F430-F487 AromaticContact CD2-CD1 3.78Å; F430-F487 HydrophobicContact CD2-CD1 3.78Å; F430-F487 HydrophobicContact CD2-CD2 4.24Å; F430-F487 HydrophobicContact CD2-CE1 4.04Å; F430-F487 HydrophobicContact CD2-CE2 4.46Å; F430-F487 AromaticContact CD2-CG 3.93Å; F430-F487 HydrophobicContact CD2-CG 3.93Å; F430-F487 HydrophobicContact CD2-CZ 4.38Å; F430-F487 HydrophobicContact CG-CE1 4.49Å
431	R	89.8	Confident	89.6	Confident	190 Å²	190	46.6 Å²	46.6	72%	0.717	24%	0.241	S	C	*	.	H	α-helix	trans	-69.9	-37.8	176.5	-72.3	172.6	-157.9	168.1	7.3	112.8	Q427 S428 G433	Q427-R431 WeakPolarHBondContact O-CB 3.35Å; Q427-R431 WeakPolarHBondContact O-CG 3.5Å; Q427-R431 PolarHBondContact O-N 2.95Å; S428-R431 PolarHBondContact O-N 3Å; S428-R431 VanDerWaalsContact O-N 3.17Å; R431-G433 PolarHBondContact O-N 3.48Å
432	E	87.8	Confident	89.2	Confident	121 Å²	121	47.6 Å²	47.6	57%	0.565	25%	0.245	S	C	*	.	H	α-helix	trans	-64.6	-33	174.3	-73.5	165.5	-142.4	0	0	111.2	S428 H435	S428-E432 WeakPolarHBondContact O-CG 3.48Å; S428-E432 PolarHBondContact O-N 3.02Å; S428-E432 PolarHBondContact OG-OE1 3.32Å; E432-H435 IonicContact OE2-NE2 3.78Å
433	G	83.4	Confident	88.9	Confident	38 Å²	38	47.8 Å²	47.8	39%	0.392	25%	0.245	S	C	.	.			trans	74.6	162.3	176.4	0	0	0	0	0	113.1	L429 F430 R431 H435	L429-G433 PolarHBondContact O-N 3.02Å; L429-G433 VanDerWaalsContact O-N 3.12Å; F430-G433 PolarHBondContact O-N 2.83Å; R431-G433 PolarHBondContact O-N 3.48Å; G433-H435 PolarHBondContact O-CD2 3.14Å; G433-H435 PolarHBondContact O-N 3.04Å; G433-H435 VanDerWaalsContact O-N 3.16Å
434	G	82.7	Confident	88.6	Confident	63 Å²	63	48.6 Å²	48.6	65%	0.649	25%	0.251	S	S	*	.	S	Bend	trans	71.7	6.4	175	0	0	0	0	0	116	K526	G434-K526 PolarHBondContact O-NZ 3.19Å
435	H	86.7	Confident	88.4	Confident	55 Å²	55	45.9 Å²	45.9	26%	0.255	24%	0.24	S	C	.	.			trans	-97.7	143	173.1	-65.7	-65.4	0	0	0	111	E432 G433 F487	E432-H435 IonicContact OE2-NE2 3.78Å; G433-H435 PolarHBondContact O-CD2 3.14Å; G433-H435 PolarHBondContact O-N 3.04Å; G433-H435 VanDerWaalsContact O-N 3.16Å; H435-F487 HydrophobicContact CB-CE2 4.43Å; H435-F487 WeakPolarHBondContact O-CD2 3.4Å; H435-F487 VanDerWaalsContact O-CE2 3.31Å; H435-F487 WeakPolarHBondContact O-CE2 3.35Å
436	K	88.3	Confident	88.3	Confident	26 Å²	26	44.9 Å²	44.9	11%	0.113	24%	0.235	C	C	.	.			trans	-116.4	136.8	166.7	-69.5	-175.6	170.5	-174.3	0	109.8	F480 D483 A504 D506 T507	K436-F480 HydrophobicContact CB-CE2 3.99Å; K436-F480 HydrophobicContact CB-CZ 3.7Å; K436-F480 HydrophobicContact CD-CE2 4.18Å; K436-F480 HydrophobicContact CD-CZ 4.13Å; K436-F480 HydrophobicContact CG-CE2 4.39Å; K436-F480 HydrophobicContact CG-CZ 4.41Å; K436-F480 PolarHBondContact NZ-O 3Å; K436-D483 WeakPolarHBondContact CE-O 3.47Å; K436-D483 PolarHBondContact NZ-O 2.74Å; K436-A504 WeakPolarHBondContact CB-O 3.38Å; K436-A504 HydrophobicContact CD-CB 3.96Å; K436-D506 PolarHBondContact O-N 3.45Å; K436-T507 PolarHBondContact O-N 3.28Å
437	V	89.9	Confident	88.2	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	134.5	-169.9	-172.8	0	0	0	0	111.1	L426 L429 I439 F487 I488 L489 T507 P509	L426-V437 HydrophobicContact CD2-CB 4.36Å; L426-V437 HydrophobicContact CD2-CG1 3.91Å; L426-V437 HydrophobicContact CD2-CG2 4.2Å; L429-V437 HydrophobicContact CD1-CG2 4.09Å; V437-I439 HydrophobicContact CG1-CG1 4.23Å; V437-F487 HydrophobicContact CG2-CE1 4.41Å; V437-F487 HydrophobicContact CG2-CE2 3.78Å; V437-F487 HydrophobicContact CG2-CZ 3.71Å; V437-F487 PolarHBondContact N-O 3.13Å; V437-I488 WeakPolarHBondContact O-CA 3.44Å; V437-L489 PolarHBondContact O-N 2.84Å; V437-T507 WeakPolarHBondContact CA-O 3.35Å; V437-T507 HydrophobicContact CG1-CG2 4.33Å; V437-P509 HydrophobicContact CG1-CG 3.86Å
438	L	89.8	Confident	88.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	128.6	169.9	-57.6	-170	0	0	0	110.5	F440 F480 L489 L491 L502 A505 T507 N508 P509 C519	L438-F440 HydrophobicContact CB-CD2 4.33Å; L438-F440 HydrophobicContact CB-CE2 3.62Å; L438-F440 HydrophobicContact CB-CZ 4.25Å; L438-F440 HydrophobicContact CD1-CE2 3.86Å; L438-F440 HydrophobicContact CD1-CZ 3.83Å; L438-F440 HydrophobicContact CG-CE2 4.43Å; L438-F480 HydrophobicContact CD2-CE1 3.75Å; L438-F480 HydrophobicContact CD2-CE2 4.38Å; L438-F480 HydrophobicContact CD2-CZ 3.58Å; L438-L489 WeakPolarHBondContact CA-O 3.43Å; L438-L489 HydrophobicContact CD2-CB 3.7Å; L438-L489 HydrophobicContact CD2-CD2 3.85Å; L438-L489 HydrophobicContact CD2-CG 4.2Å; L438-L491 HydrophobicContact CB-CD1 4.19Å; L438-L491 HydrophobicContact CD1-CD1 4.05Å; L438-L491 HydrophobicContact CD2-CD1 3.97Å; L438-L491 HydrophobicContact CG-CD1 4.31Å; L438-L502 HydrophobicContact CD1-CB 4.19Å; L438-L502 HydrophobicContact CD1-CD1 3.68Å; L438-L502 HydrophobicContact CD1-CG 4.49Å; L438-A505 HydrophobicContact CD1-CB 3.95Å; L438-A505 HydrophobicContact CD2-CB 3.68Å; L438-A505 HydrophobicContact CG-CB 3.45Å; L438-A505 VanDerWaalsContact CG-CB 3.45Å; L438-T507 PolarHBondContact N-O 3.38Å; L438-N508 WeakPolarHBondContact O-CA 3.46Å; L438-N508 PolarHBondContact O-OD1 2.81Å; L438-P509 WeakPolarHBondContact O-CD 3.44Å; L438-C519 WeakPolarHBondContact CD1-SG 3.42Å
439	I	90.2	Very high	88.1	Confident	4 Å²	4	44.9 Å²	44.9	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	118.4	174.8	-55.3	177.8	0	0	0	108.9	M422 L426 V437 L450 I488 L489 L490 L491	M422-I439 HydrophobicContact SD-CD1 4.32Å; L426-I439 HydrophobicContact CD1-CD1 4.17Å; V437-I439 HydrophobicContact CG1-CG1 4.23Å; I439-L450 HydrophobicContact CG2-CD1 3.77Å; I439-I488 HydrophobicContact CD1-CG2 3.8Å; I439-I488 HydrophobicContact CG1-CG2 4.13Å; I439-L489 PolarHBondContact N-O 3.39Å; I439-L490 HydrophobicContact CB-CD2 3.94Å; I439-L490 HydrophobicContact CD1-CD2 4.02Å; I439-L490 HydrophobicContact CG1-CD2 4.37Å; I439-L491 PolarHBondContact O-N 3.04Å
440	F	87.2	Confident	88.2	Confident	1 Å²	1	44.5 Å²	44.5	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	122.4	178.9	-66.7	-93.2	0	0	0	111.7	L438 L491 N508 Q510 A515	L438-F440 HydrophobicContact CB-CD2 4.33Å; L438-F440 HydrophobicContact CB-CE2 3.62Å; L438-F440 HydrophobicContact CB-CZ 4.25Å; L438-F440 HydrophobicContact CD1-CE2 3.86Å; L438-F440 HydrophobicContact CD1-CZ 3.83Å; L438-F440 HydrophobicContact CG-CE2 4.43Å; F440-L491 CarbonylContact C-O 3.56Å; F440-L491 VanDerWaalsContact CA-O 3.27Å; F440-L491 WeakPolarHBondContact CA-O 3.48Å; F440-L491 HydrophobicContact CD1-CB 3.56Å; F440-L491 HydrophobicContact CD1-CD1 4.32Å; F440-L491 HydrophobicContact CE1-CB 3.6Å; F440-L491 HydrophobicContact CE1-CD1 3.59Å; F440-L491 HydrophobicContact CE1-CG 4.11Å; F440-L491 HydrophobicContact CE2-CD1 4.18Å; F440-L491 HydrophobicContact CG-CB 4.26Å; F440-L491 HydrophobicContact CZ-CB 4.31Å; F440-L491 HydrophobicContact CZ-CD1 3.5Å; F440-L491 HydrophobicContact CZ-CG 4.48Å; F440-N508 WeakPolarHBondContact CD2-ND2 3.34Å; F440-N508 WeakPolarHBondContact CD2-OD1 3.45Å; F440-N508 VanDerWaalsContact CE2-ND2 3.3Å; F440-N508 WeakPolarHBondContact CE2-ND2 3.17Å; F440-Q510 HydrophobicContact CB-CB 4.37Å; F440-Q510 VanDerWaalsContact O-CB 3.23Å; F440-Q510 WeakPolarHBondContact O-CB 3.4Å; F440-Q510 WeakPolarHBondContact O-CG 2.95Å; F440-Q510 PolarHBondContact O-OE1 3.35Å; F440-A515 HydrophobicContact CD1-CB 4.01Å; F440-A515 HydrophobicContact CD2-CB 4.29Å; F440-A515 HydrophobicContact CE1-CB 3.57Å; F440-A515 HydrophobicContact CE2-CB 3.88Å; F440-A515 HydrophobicContact CG-CB 4.34Å; F440-A515 HydrophobicContact CZ-CB 3.5Å
441	S	88.2	Confident	88.3	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.007	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	144.7	170.5	179.3	0	0	0	0	111.7	F443 M446 L491 S492 T493	S441-F443 PolarHBondContact OG-N 2.76Å; S441-F443 PolarHBondContact OG-O 2.86Å; S441-M446 WeakPolarHBondContact OG-CB 3.47Å; S441-L491 PolarHBondContact N-O 3.1Å; S441-S492 CarbonylContact O-C 3.51Å; S441-S492 VanDerWaalsContact O-CA 3.28Å; S441-S492 WeakPolarHBondContact O-CA 3.26Å; S441-T493 PolarHBondContact O-N 3.01Å; S441-T493 PolarHBondContact O-OG1 3.37Å
442	Q	84.1	Confident	88.4	Confident	77 Å²	77	35.7 Å²	35.7	36%	0.36	20%	0.196	S	C	.	.	S	Bend	trans	-79.3	-24.6	170.2	-68.9	-73.2	-18.5	0	0	112.2	T493	Q442-T493 VanDerWaalsContact NE2-CG2 3.28Å; Q442-T493 PolarHBondContact NE2-OG1 3.06Å; Q442-T493 VanDerWaalsContact NE2-OG1 3.14Å
443	F	86.1	Confident	88.6	Confident	14 Å²	14	30 Å²	30	6%	0.061	17%	0.169	C	C	.	.			trans	-105.9	130.8	-176.3	-61.6	-77.1	0	0	0	109.6	M387 R390 H391 N394 S441 E445 M446 I447	M387-F443 HydrophobicContact CE-CD1 4.47Å; M387-F443 HydrophobicContact CE-CE1 3.24Å; M387-F443 HydrophobicContact CE-CZ 3.49Å; M387-F443 VanDerWaalsContact CE-CZ 3.49Å; R390-F443 HydrophobicContact CB-CE2 4.18Å; R390-F443 HydrophobicContact CB-CZ 4.12Å; H391-F443 AromaticContact CD2-CE1 3.48Å; H391-F443 VanDerWaalsContact CD2-CE1 3.48Å; H391-F443 WeakPolarHBondContact CD2-CE1 3.28Å; H391-F443 AromaticContact CD2-CZ 3.58Å; H391-F443 AromaticContact NE2-CD1 3.47Å; H391-F443 WeakPolarHBondContact NE2-CD1 3.36Å; H391-F443 AromaticContact NE2-CE1 3.09Å; H391-F443 WeakPolarHBondContact NE2-CE1 3.27Å; H391-F443 AromaticContact NE2-CZ 3.72Å; N394-F443 WeakPolarHBondContact ND2-CD2 3.45Å; N394-F443 WeakPolarHBondContact ND2-CE2 3.43Å; S441-F443 PolarHBondContact OG-N 2.76Å; S441-F443 PolarHBondContact OG-O 2.86Å; F443-E445 VanDerWaalsContact C-N 3.33Å; F443-M446 HydrophobicContact CB-CB 3.99Å; F443-M446 PolarHBondContact O-N 3.2Å; F443-I447 PolarHBondContact O-N 2.92Å
444	V	86.5	Confident	89.1	Confident	29 Å²	29	28.1 Å²	28.1	18%	0.176	15%	0.15	C	C	.	.	H	α-helix	trans	-72.6	-35.8	177.5	-179.6	0	0	0	0	109.4	M446 I447 D448	V444-M446 PolarHBondContact O-N 3.3Å; V444-M446 VanDerWaalsContact O-N 3.14Å; V444-I447 WeakPolarHBondContact O-CA 3.12Å; V444-I447 VanDerWaalsContact O-CB 3.25Å; V444-I447 WeakPolarHBondContact O-CB 3.47Å; V444-I447 PolarHBondContact O-N 3.22Å; V444-D448 PolarHBondContact O-N 3.41Å; V444-D448 VanDerWaalsContact O-N 3.12Å
445	E	87.7	Confident	89.5	Confident	95 Å²	95	30.8 Å²	30.8	44%	0.444	15%	0.146	S	C	.	.	H	α-helix	trans	-59	-30.2	176.1	-52.4	95.4	136.5	0	0	112.3	L398 F443 L449	L398-E445 HydrophobicContact CD2-CB 3.72Å; F443-E445 VanDerWaalsContact C-N 3.33Å; E445-L449 PolarHBondContact O-N 2.91Å
446	M	90	Very high	89.7	Confident	16 Å²	16	32.5 Å²	32.5	8%	0.079	15%	0.151	C	C	.	.	H	α-helix	trans	-76.6	-29.2	173.6	-176.2	69.2	-162.3	0	0	111.9	N394 H395 L398 M419 S441 F443 V444 D448 L449 L450	N394-M446 HydrophobicContact CB-SD 4.23Å; H395-M446 HydrophobicContact CB-SD 4Å; L398-M446 HydrophobicContact CD1-CB 4.36Å; L398-M446 HydrophobicContact CD1-SD 4.07Å; L398-M446 HydrophobicContact CD2-CB 4.38Å; M419-M446 HydrophobicContact SD-CE 3.78Å; S441-M446 WeakPolarHBondContact OG-CB 3.47Å; F443-M446 HydrophobicContact CB-CB 3.99Å; F443-M446 PolarHBondContact O-N 3.2Å; V444-M446 PolarHBondContact O-N 3.3Å; V444-M446 VanDerWaalsContact O-N 3.14Å; M446-D448 VanDerWaalsContact C-N 3.33Å; M446-L449 PolarHBondContact O-N 3.19Å; M446-L449 HydrophobicContact SD-CD1 4.26Å; M446-L450 HydrophobicContact CE-CD2 4.13Å; M446-L450 HydrophobicContact CE-CG 4.15Å; M446-L450 HydrophobicContact CG-CD1 4.41Å; M446-L450 VanDerWaalsContact O-CG 3.23Å; M446-L450 WeakPolarHBondContact O-CG 3.23Å; M446-L450 PolarHBondContact O-N 3.4Å
447	I	90.7	Very high	89.9	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-64.1	-44.8	173.1	-63	174.9	0	0	0	108.7	F443 V444 L449 L450 E451 H465 L490	F443-I447 PolarHBondContact O-N 2.92Å; V444-I447 WeakPolarHBondContact O-CA 3.12Å; V444-I447 VanDerWaalsContact O-CB 3.25Å; V444-I447 WeakPolarHBondContact O-CB 3.47Å; V444-I447 PolarHBondContact O-N 3.22Å; I447-L449 VanDerWaalsContact C-N 3.28Å; I447-L449 PolarHBondContact O-N 3.48Å; I447-L450 CarbonylContact O-C 3.6Å; I447-L450 WeakPolarHBondContact O-CA 3.42Å; I447-L450 WeakPolarHBondContact O-CB 3.12Å; I447-L450 PolarHBondContact O-N 2.77Å; I447-E451 HydrophobicContact CG2-CG 4.33Å; I447-E451 WeakPolarHBondContact O-CG 3.49Å; I447-E451 PolarHBondContact O-N 2.76Å; I447-H465 HydrophobicContact CD1-CB 3.98Å; I447-L490 HydrophobicContact CG2-CB 4.01Å; I447-L490 HydrophobicContact CG2-CD1 4.11Å
448	D	90	Very high	89.9	Confident	77 Å²	77	45.4 Å²	45.4	41%	0.412	20%	0.199	S	C	.	.	H	α-helix	trans	-57.6	-41	177.3	-50.8	-25.2	0	0	0	111.7	V444 M446 L450 E451 W452	V444-D448 PolarHBondContact O-N 3.41Å; V444-D448 VanDerWaalsContact O-N 3.12Å; M446-D448 VanDerWaalsContact C-N 3.33Å; D448-L450 VanDerWaalsContact C-N 3.34Å; D448-L450 PolarHBondContact O-N 3.04Å; D448-E451 PolarHBondContact O-N 3.26Å; D448-W452 PolarHBondContact O-N 2.96Å; D448-W452 VanDerWaalsContact O-N 3.13Å
449	L	90.7	Very high	90	Very high	18 Å²	18	45.9 Å²	45.9	9%	0.094	20%	0.201	C	C	.	.	H	α-helix	trans	-65.7	-34.3	172.6	-67.6	179.7	0	0	0	113	H395 F397 L398 L412 E445 M446 I447 W452 Y453	H395-L449 HydrophobicContact CB-CD1 4.01Å; F397-L449 HydrophobicContact CB-CD1 4.32Å; F397-L449 HydrophobicContact CB-CD2 4.39Å; L398-L449 HydrophobicContact CD2-CD1 3.66Å; L398-L449 HydrophobicContact CD2-CG 4.49Å; L398-L449 HydrophobicContact CG-CD1 3.92Å; L412-L449 HydrophobicContact CD1-CB 4.39Å; L412-L449 HydrophobicContact CD1-CD2 4.07Å; E445-L449 PolarHBondContact O-N 2.91Å; M446-L449 PolarHBondContact O-N 3.19Å; M446-L449 HydrophobicContact SD-CD1 4.26Å; I447-L449 VanDerWaalsContact C-N 3.28Å; I447-L449 PolarHBondContact O-N 3.48Å; L449-W452 HydrophobicContact CD2-CE3 4.19Å; L449-Y453 PolarHBondContact O-N 3.44Å
450	L	92.4	Very high	90.2	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-72.3	-35.6	176.7	-70.8	168.1	0	0	0	111.9	M419 M422 I439 M446 I447 D448 W452 Y453 C454 L490	M419-L450 HydrophobicContact CE-CD2 4.28Å; M419-L450 HydrophobicContact SD-CD2 4.13Å; M422-L450 HydrophobicContact CE-CD2 3.49Å; M422-L450 VanDerWaalsContact CE-CD2 3.49Å; M422-L450 HydrophobicContact SD-CD2 4.06Å; I439-L450 HydrophobicContact CG2-CD1 3.77Å; M446-L450 HydrophobicContact CE-CD2 4.13Å; M446-L450 HydrophobicContact CE-CG 4.15Å; M446-L450 HydrophobicContact CG-CD1 4.41Å; M446-L450 VanDerWaalsContact O-CG 3.23Å; M446-L450 WeakPolarHBondContact O-CG 3.23Å; M446-L450 PolarHBondContact O-N 3.4Å; I447-L450 CarbonylContact O-C 3.6Å; I447-L450 WeakPolarHBondContact O-CA 3.42Å; I447-L450 WeakPolarHBondContact O-CB 3.12Å; I447-L450 PolarHBondContact O-N 2.77Å; D448-L450 VanDerWaalsContact C-N 3.34Å; D448-L450 PolarHBondContact O-N 3.04Å; L450-W452 VanDerWaalsContact C-N 3.33Å; L450-Y453 WeakPolarHBondContact O-CB 3.38Å; L450-Y453 PolarHBondContact O-N 3.06Å; L450-C454 WeakPolarHBondContact O-CB 3.38Å; L450-C454 PolarHBondContact O-N 2.91Å; L450-C454 PolarHBondContact O-SG 3.02Å; L450-L490 HydrophobicContact CB-CD1 3.97Å; L450-L490 HydrophobicContact CB-CD2 3.97Å; L450-L490 HydrophobicContact CD1-CD2 4.21Å
451	E	92.7	Very high	90.5	Very high	45 Å²	45	52.8 Å²	52.8	21%	0.21	23%	0.231	C	C	.	.	H	α-helix	trans	-58.2	-49.1	171.3	-67.3	-172.5	167.6	0	0	109.8	I447 D448 Y453 C454 E455 Y461 S463 L490	I447-E451 HydrophobicContact CG2-CG 4.33Å; I447-E451 WeakPolarHBondContact O-CG 3.49Å; I447-E451 PolarHBondContact O-N 2.76Å; D448-E451 PolarHBondContact O-N 3.26Å; E451-Y453 VanDerWaalsContact C-N 3.33Å; E451-Y453 PolarHBondContact O-N 3.07Å; E451-C454 WeakPolarHBondContact O-CB 3.13Å; E451-C454 PolarHBondContact O-N 3.13Å; E451-C454 VanDerWaalsContact O-N 3.13Å; E451-E455 WeakPolarHBondContact O-CG 3.29Å; E451-E455 PolarHBondContact O-N 3Å; E451-Y461 HydrophobicContact CB-CE2 3.91Å; E451-Y461 HydrophobicContact CG-CD2 4.36Å; E451-Y461 HydrophobicContact CG-CE2 3.55Å; E451-S463 WeakPolarHBondContact OE1-CB 3.3Å; E451-S463 PolarHBondContact OE1-OG 3.47Å; E451-L490 HydrophobicContact CG-CD1 3.61Å
452	W	91.4	Very high	90.8	Very high	65 Å²	65	55.8 Å²	55.8	25%	0.246	24%	0.243	C	C	.	.	H	α-helix	trans	-59.5	-41.4	175.2	-178.4	27.5	0	0	0	112.9	F397 S404 A407 L412 D448 L449 L450 E455 Y456	F397-W452 HydrophobicContact CD2-CZ3 4.21Å; F397-W452 HydrophobicContact CE2-CZ3 4.21Å; S404-W452 VanDerWaalsContact O-CH2 3.3Å; S404-W452 WeakPolarHBondContact O-CH2 3.49Å; A407-W452 HydrophobicContact CB-CH2 3.93Å; A407-W452 VanDerWaalsContact O-CH2 3.31Å; A407-W452 WeakPolarHBondContact O-CH2 3.37Å; A407-W452 WeakPolarHBondContact O-CZ2 3.5Å; L412-W452 HydrophobicContact CB-CZ3 4.44Å; L412-W452 HydrophobicContact CD1-CE3 3.93Å; L412-W452 HydrophobicContact CD1-CZ3 4.02Å; L412-W452 HydrophobicContact CD2-CB 4.48Å; L412-W452 HydrophobicContact CD2-CD2 4.01Å; L412-W452 HydrophobicContact CD2-CE3 3.85Å; L412-W452 HydrophobicContact CD2-CG 4.31Å; L412-W452 HydrophobicContact CD2-CZ3 4.48Å; L412-W452 HydrophobicContact CG-CE3 4.35Å; D448-W452 PolarHBondContact O-N 2.96Å; D448-W452 VanDerWaalsContact O-N 3.13Å; L449-W452 HydrophobicContact CD2-CE3 4.19Å; L450-W452 VanDerWaalsContact C-N 3.33Å; W452-E455 PolarHBondContact O-N 2.88Å; W452-Y456 WeakPolarHBondContact O-CB 3.23Å; W452-Y456 PolarHBondContact O-N 2.9Å
453	Y	93	Very high	91.1	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.5	-44	174.2	167.8	-99.6	0	0	0	112.5	V413 M419 M422 D423 L426 L449 L450 E451 E455 Y456 R457 F459	V413-Y453 HydrophobicContact CG2-CD2 3.69Å; V413-Y453 HydrophobicContact CG2-CE2 3.62Å; M419-Y453 HydrophobicContact CE-CD1 4.27Å; M419-Y453 HydrophobicContact CE-CD2 3.68Å; M419-Y453 HydrophobicContact CE-CE2 4.37Å; M419-Y453 HydrophobicContact CE-CG 3.62Å; M422-Y453 HydrophobicContact CE-CD1 4.17Å; M422-Y453 HydrophobicContact CE-CE1 4.13Å; D423-Y453 VanDerWaalsContact CA-OH 3.31Å; D423-Y453 WeakPolarHBondContact CA-OH 3.18Å; D423-Y453 HydrophobicContact CB-CE2 4.09Å; D423-Y453 WeakPolarHBondContact OD1-CE2 3.19Å; D423-Y453 PolarHBondContact OD1-OH 3.06Å; L426-Y453 HydrophobicContact CD1-CE1 3.65Å; L449-Y453 PolarHBondContact O-N 3.44Å; L450-Y453 WeakPolarHBondContact O-CB 3.38Å; L450-Y453 PolarHBondContact O-N 3.06Å; E451-Y453 VanDerWaalsContact C-N 3.33Å; E451-Y453 PolarHBondContact O-N 3.07Å; Y453-E455 VanDerWaalsContact C-N 3.34Å; Y453-Y456 PolarHBondContact O-N 3.34Å; Y453-R457 HydrophobicContact CD2-CG 4.28Å; Y453-R457 HydrophobicContact CE1-CG 4.45Å; Y453-R457 HydrophobicContact CE2-CG 3.63Å; Y453-R457 PolarHBondContact O-N 3.33Å; Y453-F459 HydrophobicContact CE1-CD2 4.29Å; Y453-F459 HydrophobicContact CE1-CE2 4.15Å
454	C	92.6	Very high	91.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.1	-40.6	178	-72.8	0	0	0	0	111.5	L450 E451 R457 R458 F459 Y461	L450-C454 WeakPolarHBondContact O-CB 3.38Å; L450-C454 PolarHBondContact O-N 2.91Å; L450-C454 PolarHBondContact O-SG 3.02Å; E451-C454 WeakPolarHBondContact O-CB 3.13Å; E451-C454 PolarHBondContact O-N 3.13Å; E451-C454 VanDerWaalsContact O-N 3.13Å; C454-R457 CarbonylContact O-C 3.45Å; C454-R457 PolarHBondContact O-N 3.38Å; C454-R458 WeakPolarHBondContact O-CA 2.86Å; C454-R458 PolarHBondContact O-N 3.42Å; C454-F459 HydrophobicContact CB-CB 4.47Å; C454-F459 PolarHBondContact O-N 3.42Å; C454-Y461 HydrophobicContact CB-CD1 3.32Å; C454-Y461 HydrophobicContact CB-CE1 3.78Å; C454-Y461 HydrophobicContact CB-CG 3.82Å
455	E	91.9	Very high	91.1	Very high	118 Å²	118	51.9 Å²	51.9	55%	0.551	22%	0.224	S	C	*	.	H	α-helix	trans	-62.6	-45.3	174.1	-70.8	175.5	-176.6	0	0	112.1	E451 W452 Y453 R457 R458 Y461	E451-E455 WeakPolarHBondContact O-CG 3.29Å; E451-E455 PolarHBondContact O-N 3Å; W452-E455 PolarHBondContact O-N 2.88Å; Y453-E455 VanDerWaalsContact C-N 3.34Å; E455-R457 PolarHBondContact O-N 2.89Å; E455-R458 PolarHBondContact O-N 2.86Å; E455-R458 VanDerWaalsContact O-N 3.14Å; E455-Y461 HydrophobicContact CG-CE1 3.98Å; E455-Y461 PolarHBondContact OE1-OH 2.92Å
456	Y	91	Very high	90.7	Very high	92 Å²	92	49.7 Å²	49.7	36%	0.361	23%	0.227	S	C	.	.	H	α-helix	trans	-60.4	-42.7	177.4	168.4	-116.6	0	0	0	112.6	G409 V413 W452 Y453 R458	G409-Y456 VanDerWaalsContact C-CE1 3.44Å; G409-Y456 WeakPolarHBondContact O-CD1 3.15Å; G409-Y456 WeakPolarHBondContact O-CE1 3.39Å; V413-Y456 HydrophobicContact CG2-CE1 4.48Å; W452-Y456 WeakPolarHBondContact O-CB 3.23Å; W452-Y456 PolarHBondContact O-N 2.9Å; Y453-Y456 PolarHBondContact O-N 3.34Å; Y456-R458 VanDerWaalsContact C-N 3.32Å
457	R	91.3	Very high	90.4	Very high	74 Å²	74	56.1 Å²	56.1	28%	0.279	26%	0.256	S	S	.	.	H	α-helix	trans	-83.8	-5.1	177.1	-70.7	-64.2	-171.6	-133.9	0.4	114	D423 Y453 C454 E455 F459	D423-R457 IonicContact OD1-CZ 3.45Å; D423-R457 IonicContact OD1-NE 3.54Å; D423-R457 PolarHBondContact OD1-NE 2.89Å; D423-R457 IonicContact OD1-NH2 2.82Å; D423-R457 PolarHBondContact OD1-NH2 3.27Å; D423-R457 IonicContact OD2-CZ 3.47Å; D423-R457 IonicContact OD2-NE 2.8Å; D423-R457 IonicContact OD2-NH2 3.54Å; D423-R457 PolarHBondContact OD2-NH2 2.65Å; Y453-R457 HydrophobicContact CD2-CG 4.28Å; Y453-R457 HydrophobicContact CE1-CG 4.45Å; Y453-R457 HydrophobicContact CE2-CG 3.63Å; Y453-R457 PolarHBondContact O-N 3.33Å; C454-R457 CarbonylContact O-C 3.45Å; C454-R457 PolarHBondContact O-N 3.38Å; E455-R457 PolarHBondContact O-N 2.89Å; R457-F459 VanDerWaalsContact C-N 3.3Å; R457-F459 HydrophobicContact CB-CD2 3.63Å; R457-F459 HydrophobicContact CB-CE1 4.37Å; R457-F459 HydrophobicContact CB-CE2 3.48Å; R457-F459 VanDerWaalsContact CB-CE2 3.48Å; R457-F459 HydrophobicContact CB-CG 4.16Å; R457-F459 HydrophobicContact CB-CZ 3.88Å; R457-F459 HydrophobicContact CG-CD2 4.47Å; R457-F459 HydrophobicContact CG-CE2 3.96Å; R457-F459 HydrophobicContact CG-CZ 4.42Å; R457-F459 PolarHBondContact O-N 3.21Å
458	R	90.5	Very high	90.1	Very high	222 Å²	222	57.9 Å²	57.9	84%	0.838	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	39.6	-175.6	-54.2	179.1	179.9	177.7	-1.5	113.1	C454 E455 Y456	C454-R458 WeakPolarHBondContact O-CA 2.86Å; C454-R458 PolarHBondContact O-N 3.42Å; E455-R458 PolarHBondContact O-N 2.86Å; E455-R458 VanDerWaalsContact O-N 3.14Å; Y456-R458 VanDerWaalsContact C-N 3.32Å
459	F	92.5	Very high	89.8	Confident	11 Å²	11	57.2 Å²	57.2	5%	0.048	27%	0.266	C	S	.	.			trans	-85.1	130.4	170.6	-63	-39.4	0	0	0	109.6	L426 Q427 F430 Y453 C454 R457 Y461 F487 I488	L426-F459 HydrophobicContact CB-CE2 4.23Å; Q427-F459 HydrophobicContact CG-CZ 4.34Å; F430-F459 HydrophobicContact CB-CE1 3.82Å; F430-F459 HydrophobicContact CB-CZ 4.33Å; F430-F459 HydrophobicContact CD1-CD1 4.36Å; F430-F459 AromaticContact CD1-CE1 3.75Å; F430-F459 HydrophobicContact CD1-CE1 3.75Å; F430-F459 AromaticContact CD2-CD1 3.69Å; F430-F459 HydrophobicContact CD2-CD1 3.69Å; F430-F459 AromaticContact CD2-CE1 3.72Å; F430-F459 HydrophobicContact CD2-CE1 3.72Å; F430-F459 HydrophobicContact CE1-CD1 4.49Å; F430-F459 HydrophobicContact CE1-CE1 4.21Å; F430-F459 AromaticContact CE2-CD1 3.85Å; F430-F459 HydrophobicContact CE2-CD1 3.85Å; F430-F459 HydrophobicContact CE2-CE1 4.19Å; F430-F459 AromaticContact CG-CD1 3.96Å; F430-F459 HydrophobicContact CG-CD1 3.96Å; F430-F459 AromaticContact CG-CE1 3.47Å; F430-F459 HydrophobicContact CG-CE1 3.47Å; F430-F459 VanDerWaalsContact CG-CE1 3.47Å; F430-F459 HydrophobicContact CG-CZ 4.42Å; F430-F459 HydrophobicContact CZ-CD1 4.25Å; F430-F459 HydrophobicContact CZ-CE1 4.42Å; Y453-F459 HydrophobicContact CE1-CD2 4.29Å; Y453-F459 HydrophobicContact CE1-CE2 4.15Å; C454-F459 HydrophobicContact CB-CB 4.47Å; C454-F459 PolarHBondContact O-N 3.42Å; R457-F459 VanDerWaalsContact C-N 3.3Å; R457-F459 HydrophobicContact CB-CD2 3.63Å; R457-F459 HydrophobicContact CB-CE1 4.37Å; R457-F459 HydrophobicContact CB-CE2 3.48Å; R457-F459 VanDerWaalsContact CB-CE2 3.48Å; R457-F459 HydrophobicContact CB-CG 4.16Å; R457-F459 HydrophobicContact CB-CZ 3.88Å; R457-F459 HydrophobicContact CG-CD2 4.47Å; R457-F459 HydrophobicContact CG-CE2 3.96Å; R457-F459 HydrophobicContact CG-CZ 4.42Å; R457-F459 PolarHBondContact O-N 3.21Å; F459-Y461 WeakPolarHBondContact O-CD1 3.4Å; F459-Y461 PolarHBondContact O-N 2.79Å; F459-F487 HydrophobicContact CB-CD1 4.31Å; F459-F487 HydrophobicContact CD1-CD1 4.14Å; F459-F487 HydrophobicContact CG-CD1 4.11Å; F459-I488 HydrophobicContact CB-CD1 4.05Å; F459-I488 HydrophobicContact CD2-CD1 3.85Å; F459-I488 HydrophobicContact CG-CD1 4.21Å
460	E	93.2	Very high	89.1	Confident	106 Å²	106	58 Å²	58	50%	0.495	28%	0.279	S	S	.	.			trans	-67.9	122.4	170	-74.3	-62.7	150.4	0	0	109.8	R462 N485 F487 I488	E460-R462 IonicContact OE2-NH1 3.44Å; E460-N485 WeakPolarHBondContact CB-O 3.42Å; E460-F487 PolarHBondContact O-N 2.86Å; E460-I488 PolarHBondContact O-N 3.14Å
461	Y	93.7	Very high	88.5	Confident	44 Å²	44	61.3 Å²	61.3	17%	0.173	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	162.2	-175.8	74.8	-85.2	0	0	0	112.6	E451 C454 E455 F459 I488 L490	E451-Y461 HydrophobicContact CB-CE2 3.91Å; E451-Y461 HydrophobicContact CG-CD2 4.36Å; E451-Y461 HydrophobicContact CG-CE2 3.55Å; C454-Y461 HydrophobicContact CB-CD1 3.32Å; C454-Y461 HydrophobicContact CB-CE1 3.78Å; C454-Y461 HydrophobicContact CB-CG 3.82Å; E455-Y461 HydrophobicContact CG-CE1 3.98Å; E455-Y461 PolarHBondContact OE1-OH 2.92Å; F459-Y461 WeakPolarHBondContact O-CD1 3.4Å; F459-Y461 PolarHBondContact O-N 2.79Å; Y461-I488 CarbonylContact C-O 3.01Å; Y461-I488 WeakPolarHBondContact CA-O 3.48Å; Y461-L490 HydrophobicContact CD2-CD1 3.95Å; Y461-L490 HydrophobicContact CE2-CD1 4.38Å
462	R	93.8	Very high	88.3	Confident	64 Å²	64	61.7 Å²	61.7	24%	0.242	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	152.1	166.5	-67.4	-64.6	-177.8	-84.6	-3.1	109.4	E460 D479 V486 I488 L489 L490	E460-R462 IonicContact OE2-NH1 3.44Å; R462-D479 HydrophobicContact CG-CB 4.2Å; R462-D479 IonicContact CZ-OD2 3.37Å; R462-D479 IonicContact NE-OD2 2.68Å; R462-D479 PolarHBondContact NE-OD2 3.36Å; R462-D479 IonicContact NH2-OD2 3.7Å; R462-D479 PolarHBondContact NH2-OD2 3.22Å; R462-V486 HydrophobicContact CB-CG1 4.46Å; R462-V486 HydrophobicContact CG-CG1 3.94Å; R462-V486 HydrophobicContact CG-CG2 4.4Å; R462-I488 PolarHBondContact N-O 3.13Å; R462-L489 HydrophobicContact CB-CD1 3.88Å; R462-L489 CarbonylContact O-C 3.56Å; R462-L489 WeakPolarHBondContact O-CA 3.31Å; R462-L490 PolarHBondContact O-N 3.1Å
463	S	90.5	Very high	87.8	Confident	11 Å²	11	60.8 Å²	60.8	8%	0.077	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	148.6	179.2	-61.2	0	0	0	0	111.4	E451 M468 S476 L490	E451-S463 WeakPolarHBondContact OE1-CB 3.3Å; E451-S463 PolarHBondContact OE1-OG 3.47Å; S463-M468 VanDerWaalsContact C-SD 3.55Å; S463-M468 VanDerWaalsContact O-CE 3.3Å; S463-M468 WeakPolarHBondContact O-CE 2.85Å; S463-S476 WeakPolarHBondContact O-CB 3.45Å; S463-S476 PolarHBondContact O-OG 3.36Å; S463-L490 CarbonylContact C-O 3.57Å
464	Y	88	Confident	87.2	Confident	5 Å²	5	62.9 Å²	62.9	2%	0.02	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	94.3	178.1	-170.5	-73.2	0	0	0	109.2	R473 L477 L490 L491 S492 A495 L500	Y464-R473 HydrophobicContact CD2-CB 3.91Å; Y464-R473 HydrophobicContact CD2-CG 4.04Å; Y464-R473 HydrophobicContact CE2-CB 3.46Å; Y464-R473 VanDerWaalsContact CE2-CB 3.46Å; Y464-R473 HydrophobicContact CE2-CG 3.84Å; Y464-R473 HydrophobicContact CG-CG 4.49Å; Y464-L477 HydrophobicContact CD2-CD1 4.13Å; Y464-L477 HydrophobicContact CD2-CD2 4.11Å; Y464-L477 HydrophobicContact CD2-CG 3.84Å; Y464-L477 HydrophobicContact CE2-CD1 3.49Å; Y464-L477 VanDerWaalsContact CE2-CD1 3.49Å; Y464-L477 HydrophobicContact CE2-CD2 4.25Å; Y464-L477 HydrophobicContact CE2-CG 3.75Å; Y464-L490 PolarHBondContact N-O 3.23Å; Y464-L491 HydrophobicContact CD1-CD2 3.66Å; Y464-L491 HydrophobicContact CG-CD2 3.7Å; Y464-L491 WeakPolarHBondContact O-CA 3.2Å; Y464-S492 PolarHBondContact O-N 3.38Å; Y464-A495 HydrophobicContact CD1-CB 3.93Å; Y464-A495 HydrophobicContact CE1-CB 3.81Å; Y464-L500 HydrophobicContact CD1-CD1 4.04Å; Y464-L500 HydrophobicContact CD2-CD1 4.34Å; Y464-L500 HydrophobicContact CE1-CD1 3.62Å; Y464-L500 HydrophobicContact CE2-CD1 3.9Å; Y464-L500 HydrophobicContact CE2-CD2 4.41Å; Y464-L500 HydrophobicContact CG-CD1 4.42Å
465	H	86.1	Confident	86.9	Confident	22 Å²	22	66.9 Å²	66.9	10%	0.102	34%	0.339	C	S	.	.			trans	-139.4	166.5	-179.4	63.5	104.1	0	0	0	112.6	I447 Q467 M468 R473	I447-H465 HydrophobicContact CD1-CB 3.98Å; H465-Q467 PolarHBondContact O-N 2.87Å; H465-M468 VanDerWaalsContact CD2-SD 3.53Å; H465-M468 VanDerWaalsContact NE2-CG 3.3Å; H465-M468 WeakPolarHBondContact NE2-CG 2.83Å; H465-M468 PolarHBondContact O-N 3.37Å; H465-M468 VanDerWaalsContact O-N 3.16Å; H465-R473 VanDerWaalsContact O-CZ 3.24Å; H465-R473 PolarHBondContact O-NE 2.82Å; H465-R473 PolarHBondContact O-NH2 3.09Å
466	G	79.2	Confident	86.8	Confident	49 Å²	49	61.9 Å²	61.9	51%	0.505	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-14.3	-170.7	0	0	0	0	0	116.3	R473	G466-R473 PolarHBondContact O-NH2 3.03Å
467	Q	82.9	Confident	86.4	Confident	150 Å²	150	58.1 Å²	58.1	70%	0.701	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-17.2	179.8	-63.5	169.6	-20.5	0	0	113	H465	H465-Q467 PolarHBondContact O-N 2.87Å
468	M	83.8	Confident	86.1	Confident	39 Å²	39	59.9 Å²	59.9	19%	0.192	31%	0.31	C	S	.	.	S	Bend	trans	-71.2	151	177.5	-61.1	175.5	75.9	0	0	111.8	S463 H465 R473	S463-M468 VanDerWaalsContact C-SD 3.55Å; S463-M468 VanDerWaalsContact O-CE 3.3Å; S463-M468 WeakPolarHBondContact O-CE 2.85Å; H465-M468 VanDerWaalsContact CD2-SD 3.53Å; H465-M468 VanDerWaalsContact NE2-CG 3.3Å; H465-M468 WeakPolarHBondContact NE2-CG 2.83Å; H465-M468 PolarHBondContact O-N 3.37Å; H465-M468 VanDerWaalsContact O-N 3.16Å; M468-R473 HydrophobicContact CB-CG 3.79Å; M468-R473 PolarHBondContact O-NE 3.39Å; M468-R473 PolarHBondContact O-NH2 2.79Å; M468-R473 HydrophobicContact SD-CG 4.44Å
469	S	83.7	Confident	86.1	Confident	63 Å²	63	51.1 Å²	51.1	44%	0.441	28%	0.28	S	S	.	.			trans	-63.7	152	171.4	88	0	0	0	0	111.3	A471 S472 R473	S469-A471 VanDerWaalsContact C-N 3.28Å; S469-A471 PolarHBondContact O-N 3.17Å; S469-S472 PolarHBondContact O-N 3.01Å; S469-S472 WeakPolarHBondContact OG-CB 3.35Å; S469-S472 PolarHBondContact OG-N 3.1Å; S469-S472 VanDerWaalsContact OG-N 3.09Å; S469-S472 PolarHBondContact OG-OG 3.47Å; S469-R473 WeakPolarHBondContact O-CG 3.26Å; S469-R473 PolarHBondContact O-N 3.02Å
470	G	76.5	Confident	85.9	Confident	34 Å²	34	50.6 Å²	50.6	35%	0.351	28%	0.277	S	S	.	.	H	α-helix	trans	-58.2	-39.2	177.7	0	0	0	0	0	112.9	R473 Q474	G470-R473 PolarHBondContact O-N 3.16Å; G470-Q474 WeakPolarHBondContact O-CG 3.02Å; G470-Q474 PolarHBondContact O-N 2.99Å; G470-Q474 VanDerWaalsContact O-N 3.13Å
471	A	81.1	Confident	85.5	Confident	73 Å²	73	48.2 Å²	48.2	60%	0.603	27%	0.268	S	S	*	.	H	α-helix	trans	-66.2	-44.3	177.6	0	0	0	0	0	112.2	S469 R473 Q474 Q475	S469-A471 VanDerWaalsContact C-N 3.28Å; S469-A471 PolarHBondContact O-N 3.17Å; A471-R473 PolarHBondContact O-N 3.24Å; A471-Q474 PolarHBondContact O-N 3.19Å; A471-Q475 PolarHBondContact O-N 3.27Å
472	S	86.5	Confident	85.1	Confident	54 Å²	54	52.4 Å²	52.4	38%	0.378	29%	0.294	S	S	.	.	H	α-helix	trans	-61.6	-43.9	176.6	-54.9	0	0	0	0	111.3	S469 Q474 Q475 S476	S469-S472 PolarHBondContact O-N 3.01Å; S469-S472 WeakPolarHBondContact OG-CB 3.35Å; S469-S472 PolarHBondContact OG-N 3.1Å; S469-S472 VanDerWaalsContact OG-N 3.09Å; S469-S472 PolarHBondContact OG-OG 3.47Å; S472-Q474 VanDerWaalsContact C-N 3.32Å; S472-Q474 PolarHBondContact O-N 3.12Å; S472-Q475 WeakPolarHBondContact O-CB 3.43Å; S472-Q475 PolarHBondContact O-N 3.07Å; S472-Q475 VanDerWaalsContact O-N 3.14Å; S472-S476 PolarHBondContact O-N 3.27Å; S472-S476 PolarHBondContact O-OG 3.34Å; S472-S476 VanDerWaalsContact O-OG 3.07Å
473	R	82.6	Confident	84.8	Confident	46 Å²	46	51.9 Å²	51.9	17%	0.174	30%	0.296	C	S	.	.	H	α-helix	trans	-57.2	-43.8	175.7	-79.1	-171.8	-157.7	164.5	19.7	112.7	Y464 H465 G466 M468 S469 G470 A471 Q475 S476 L477	Y464-R473 HydrophobicContact CD2-CB 3.91Å; Y464-R473 HydrophobicContact CD2-CG 4.04Å; Y464-R473 HydrophobicContact CE2-CB 3.46Å; Y464-R473 VanDerWaalsContact CE2-CB 3.46Å; Y464-R473 HydrophobicContact CE2-CG 3.84Å; Y464-R473 HydrophobicContact CG-CG 4.49Å; H465-R473 VanDerWaalsContact O-CZ 3.24Å; H465-R473 PolarHBondContact O-NE 2.82Å; H465-R473 PolarHBondContact O-NH2 3.09Å; G466-R473 PolarHBondContact O-NH2 3.03Å; M468-R473 HydrophobicContact CB-CG 3.79Å; M468-R473 PolarHBondContact O-NE 3.39Å; M468-R473 PolarHBondContact O-NH2 2.79Å; M468-R473 HydrophobicContact SD-CG 4.44Å; S469-R473 WeakPolarHBondContact O-CG 3.26Å; S469-R473 PolarHBondContact O-N 3.02Å; G470-R473 PolarHBondContact O-N 3.16Å; A471-R473 PolarHBondContact O-N 3.24Å; R473-Q475 VanDerWaalsContact C-N 3.34Å; R473-S476 PolarHBondContact O-N 2.81Å; R473-L477 WeakPolarHBondContact O-CG 3.25Å; R473-L477 PolarHBondContact O-N 3.12Å; R473-L477 VanDerWaalsContact O-N 3.15Å
474	Q	80	Confident	84.5	Confident	43 Å²	43	55.5 Å²	55.5	20%	0.201	33%	0.326	C	S	.	.	H	α-helix	trans	-67.1	-37.4	177.3	-70.5	-63.9	-1.7	0	0	111.9	D159 G470 A471 S472 L477 R478	D159-Q474 PolarHBondContact OD2-NE2 2.99Å; G470-Q474 WeakPolarHBondContact O-CG 3.02Å; G470-Q474 PolarHBondContact O-N 2.99Å; G470-Q474 VanDerWaalsContact O-N 3.13Å; A471-Q474 PolarHBondContact O-N 3.19Å; S472-Q474 VanDerWaalsContact C-N 3.32Å; S472-Q474 PolarHBondContact O-N 3.12Å; Q474-L477 PolarHBondContact O-N 3.49Å; Q474-R478 WeakPolarHBondContact O-CG 3.4Å; Q474-R478 PolarHBondContact O-N 2.99Å
475	Q	87	Confident	84.4	Confident	85 Å²	85	60.9 Å²	60.9	40%	0.397	36%	0.355	S	S	.	.	H	α-helix	trans	-63.7	-46	174.5	-169.3	60.5	35.6	0	0	111.4	A471 S472 R473 L477 R478 D479	A471-Q475 PolarHBondContact O-N 3.27Å; S472-Q475 WeakPolarHBondContact O-CB 3.43Å; S472-Q475 PolarHBondContact O-N 3.07Å; S472-Q475 VanDerWaalsContact O-N 3.14Å; R473-Q475 VanDerWaalsContact C-N 3.34Å; Q475-L477 PolarHBondContact O-N 3.14Å; Q475-R478 PolarHBondContact O-N 3.39Å; Q475-R478 VanDerWaalsContact O-N 3.1Å; Q475-D479 PolarHBondContact NE2-OD1 3.07Å; Q475-D479 WeakPolarHBondContact O-CB 3.3Å; Q475-D479 VanDerWaalsContact O-CG 3.25Å; Q475-D479 PolarHBondContact O-N 3.4Å
476	S	88.5	Confident	84.6	Confident	12 Å²	12	59.8 Å²	59.8	8%	0.084	35%	0.35	C	S	.	.	H	α-helix	trans	-57.6	-36.5	176.7	-57.8	0	0	0	0	112.8	S463 S472 R473 F480	S463-S476 WeakPolarHBondContact O-CB 3.45Å; S463-S476 PolarHBondContact O-OG 3.36Å; S472-S476 PolarHBondContact O-N 3.27Å; S472-S476 PolarHBondContact O-OG 3.34Å; S472-S476 VanDerWaalsContact O-OG 3.07Å; R473-S476 PolarHBondContact O-N 2.81Å; S476-F480 WeakPolarHBondContact O-CB 3.35Å; S476-F480 PolarHBondContact O-N 3.14Å
477	L	83.5	Confident	85.2	Confident	13 Å²	13	58 Å²	58	7%	0.068	33%	0.328	C	S	.	.	H	α-helix	trans	-71.3	-40.9	175.3	-71.7	173.2	0	0	0	113	Y464 R473 Q474 Q475 F480 N481 L489 L500 L502	Y464-L477 HydrophobicContact CD2-CD1 4.13Å; Y464-L477 HydrophobicContact CD2-CD2 4.11Å; Y464-L477 HydrophobicContact CD2-CG 3.84Å; Y464-L477 HydrophobicContact CE2-CD1 3.49Å; Y464-L477 VanDerWaalsContact CE2-CD1 3.49Å; Y464-L477 HydrophobicContact CE2-CD2 4.25Å; Y464-L477 HydrophobicContact CE2-CG 3.75Å; R473-L477 WeakPolarHBondContact O-CG 3.25Å; R473-L477 PolarHBondContact O-N 3.12Å; R473-L477 VanDerWaalsContact O-N 3.15Å; Q474-L477 PolarHBondContact O-N 3.49Å; Q475-L477 PolarHBondContact O-N 3.14Å; L477-F480 PolarHBondContact O-N 2.99Å; L477-N481 WeakPolarHBondContact O-CB 3.49Å; L477-N481 PolarHBondContact O-N 3.31Å; L477-N481 PolarHBondContact O-ND2 3.47Å; L477-L489 HydrophobicContact CD2-CD2 4.16Å; L477-L500 HydrophobicContact CD1-CD1 4.26Å; L477-L500 HydrophobicContact CD1-CD2 3.79Å; L477-L500 HydrophobicContact CD1-CG 4.47Å; L477-L500 HydrophobicContact CD2-CD1 4.15Å; L477-L502 HydrophobicContact CD2-CD2 3.48Å; L477-L502 VanDerWaalsContact CD2-CD2 3.48Å
478	R	85.5	Confident	85.7	Confident	112 Å²	112	50.9 Å²	50.9	42%	0.423	30%	0.295	S	S	.	.	H	α-helix	trans	-63	-50.2	174.8	-75.3	-172	-67.7	-92.8	1.8	110.7	Q474 Q475 F480 N481 D482	Q474-R478 WeakPolarHBondContact O-CG 3.4Å; Q474-R478 PolarHBondContact O-N 2.99Å; Q475-R478 PolarHBondContact O-N 3.39Å; Q475-R478 VanDerWaalsContact O-N 3.1Å; R478-F480 VanDerWaalsContact C-N 3.29Å; R478-F480 PolarHBondContact O-N 3.18Å; R478-N481 PolarHBondContact O-N 2.95Å; R478-D482 WeakPolarHBondContact O-CB 3.3Å; R478-D482 PolarHBondContact O-N 3.28Å
479	D	89.7	Confident	86	Confident	37 Å²	37	49 Å²	49	20%	0.198	29%	0.286	C	S	.	.	H	α-helix	trans	-53.8	-47.7	176.1	-67.7	0.9	0	0	0	110.7	R462 Q475 N481 D483	R462-D479 HydrophobicContact CG-CB 4.2Å; R462-D479 IonicContact CZ-OD2 3.37Å; R462-D479 IonicContact NE-OD2 2.68Å; R462-D479 PolarHBondContact NE-OD2 3.36Å; R462-D479 IonicContact NH2-OD2 3.7Å; R462-D479 PolarHBondContact NH2-OD2 3.22Å; Q475-D479 PolarHBondContact NE2-OD1 3.07Å; Q475-D479 WeakPolarHBondContact O-CB 3.3Å; Q475-D479 VanDerWaalsContact O-CG 3.25Å; Q475-D479 PolarHBondContact O-N 3.4Å; D479-N481 VanDerWaalsContact C-N 3.33Å; D479-N481 PolarHBondContact O-N 2.77Å; D479-D483 WeakPolarHBondContact O-CA 3.3Å; D479-D483 WeakPolarHBondContact O-CB 3.24Å; D479-D483 PolarHBondContact O-N 2.9Å
480	F	87.8	Confident	86.4	Confident	0 Å²	0	46 Å²	46	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-65.8	-32.5	179.7	-177.9	-102.2	0	0	0	113.8	K436 L438 S476 L477 R478 V486 L489 L502 A504 A505	K436-F480 HydrophobicContact CB-CE2 3.99Å; K436-F480 HydrophobicContact CB-CZ 3.7Å; K436-F480 HydrophobicContact CD-CE2 4.18Å; K436-F480 HydrophobicContact CD-CZ 4.13Å; K436-F480 HydrophobicContact CG-CE2 4.39Å; K436-F480 HydrophobicContact CG-CZ 4.41Å; K436-F480 PolarHBondContact NZ-O 3Å; L438-F480 HydrophobicContact CD2-CE1 3.75Å; L438-F480 HydrophobicContact CD2-CE2 4.38Å; L438-F480 HydrophobicContact CD2-CZ 3.58Å; S476-F480 WeakPolarHBondContact O-CB 3.35Å; S476-F480 PolarHBondContact O-N 3.14Å; L477-F480 PolarHBondContact O-N 2.99Å; R478-F480 VanDerWaalsContact C-N 3.29Å; R478-F480 PolarHBondContact O-N 3.18Å; F480-V486 HydrophobicContact CD2-CB 4.46Å; F480-V486 HydrophobicContact CD2-CG1 3.79Å; F480-L489 HydrophobicContact CB-CD1 4.47Å; F480-L489 HydrophobicContact CB-CD2 4.27Å; F480-L489 HydrophobicContact CD1-CB 4.39Å; F480-L489 HydrophobicContact CD1-CD2 3.83Å; F480-L489 HydrophobicContact CD2-CB 3.58Å; F480-L489 HydrophobicContact CD2-CD2 4.41Å; F480-L489 HydrophobicContact CD2-CG 4.45Å; F480-L489 HydrophobicContact CE1-CB 4.44Å; F480-L489 HydrophobicContact CE1-CD2 4.24Å; F480-L489 HydrophobicContact CE2-CB 3.63Å; F480-L489 HydrophobicContact CG-CB 3.95Å; F480-L489 HydrophobicContact CG-CD2 3.9Å; F480-L489 HydrophobicContact CG-CG 4.37Å; F480-L489 HydrophobicContact CZ-CB 4.06Å; F480-L502 HydrophobicContact CD1-CD2 4.46Å; F480-A504 HydrophobicContact CE1-CB 4.24Å; F480-A505 HydrophobicContact CE1-CB 3.98Å; F480-A505 HydrophobicContact CZ-CB 3.88Å
481	N	84.1	Confident	86.9	Confident	57 Å²	57	44.4 Å²	44.4	31%	0.305	25%	0.248	S	C	.	.	H	α-helix	trans	-80.8	-42	179	-75.5	-35	0	0	0	111.9	L477 R478 D479 N501	L477-N481 WeakPolarHBondContact O-CB 3.49Å; L477-N481 PolarHBondContact O-N 3.31Å; L477-N481 PolarHBondContact O-ND2 3.47Å; R478-N481 PolarHBondContact O-N 2.95Å; D479-N481 VanDerWaalsContact C-N 3.33Å; D479-N481 PolarHBondContact O-N 2.77Å; N481-N501 PolarHBondContact ND2-O 3.07Å
482	D	86.1	Confident	87.1	Confident	132 Å²	132	41.3 Å²	41.3	71%	0.706	22%	0.222	S	C	*	.	H	α-helix	trans	-91.3	-35.8	-170.1	-60.6	-25.2	0	0	0	112.8	R478	R478-D482 WeakPolarHBondContact O-CB 3.3Å; R478-D482 PolarHBondContact O-N 3.28Å
483	D	87.2	Confident	86.6	Confident	53 Å²	53	39.2 Å²	39.2	28%	0.283	21%	0.207	S	C	.	.			trans	-86.4	121.1	-179.5	-169.1	-7.9	0	0	0	110.5	K436 D479 N485 V486	K436-D483 WeakPolarHBondContact CE-O 3.47Å; K436-D483 PolarHBondContact NZ-O 2.74Å; D479-D483 WeakPolarHBondContact O-CA 3.3Å; D479-D483 WeakPolarHBondContact O-CB 3.24Å; D479-D483 PolarHBondContact O-N 2.9Å; D483-N485 VanDerWaalsContact C-N 3.27Å; D483-N485 PolarHBondContact O-N 2.77Å; D483-N485 VanDerWaalsContact OD1-CB 3.3Å; D483-N485 WeakPolarHBondContact OD1-CB 3.23Å; D483-N485 PolarHBondContact OD1-N 3.01Å; D483-N485 PolarHBondContact OD1-ND2 2.83Å; D483-V486 HydrophobicContact CB-CG2 3.93Å
484	A	84	Confident	86	Confident	86 Å²	86	46.7 Å²	46.7	71%	0.711	24%	0.235	S	C	*	.	S	Bend	trans	-72.9	-20.6	177.1	0	0	0	0	0	112.8
485	N	87.1	Confident	85.5	Confident	118 Å²	118	45.1 Å²	45.1	63%	0.631	23%	0.23	S	C	*	.	S	Bend	trans	-76.1	-27.1	-178	-60.1	-50.2	0	0	0	112.5	E460 D483 F487	E460-N485 WeakPolarHBondContact CB-O 3.42Å; D483-N485 VanDerWaalsContact C-N 3.27Å; D483-N485 PolarHBondContact O-N 2.77Å; D483-N485 VanDerWaalsContact OD1-CB 3.3Å; D483-N485 WeakPolarHBondContact OD1-CB 3.23Å; D483-N485 PolarHBondContact OD1-N 3.01Å; D483-N485 PolarHBondContact OD1-ND2 2.83Å; N485-F487 PolarHBondContact O-N 2.75Å; N485-F487 VanDerWaalsContact O-N 3.1Å
486	V	90.1	Very high	84.1	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.211	C	C	.	.			trans	-70.2	110.1	-180	-175.5	0	0	0	0	109.4	R462 F480 D483	R462-V486 HydrophobicContact CB-CG1 4.46Å; R462-V486 HydrophobicContact CG-CG1 3.94Å; R462-V486 HydrophobicContact CG-CG2 4.4Å; F480-V486 HydrophobicContact CD2-CB 4.46Å; F480-V486 HydrophobicContact CD2-CG1 3.79Å; D483-V486 HydrophobicContact CB-CG2 3.93Å
487	F	92	Very high	82.7	Confident	11 Å²	11	40.7 Å²	40.7	5%	0.048	21%	0.208	C	C	.	.			trans	-87.1	-41.2	-176.6	179.2	-127.2	0	0	0	111.9	L426 L429 F430 H435 V437 F459 E460 N485	L426-F487 HydrophobicContact CD2-CE1 4.26Å; L429-F487 HydrophobicContact CB-CE2 4.41Å; L429-F487 HydrophobicContact CB-CZ 3.96Å; F430-F487 HydrophobicContact CB-CE1 3.99Å; F430-F487 HydrophobicContact CB-CZ 3.96Å; F430-F487 AromaticContact CD2-CD1 3.78Å; F430-F487 HydrophobicContact CD2-CD1 3.78Å; F430-F487 HydrophobicContact CD2-CD2 4.24Å; F430-F487 HydrophobicContact CD2-CE1 4.04Å; F430-F487 HydrophobicContact CD2-CE2 4.46Å; F430-F487 AromaticContact CD2-CG 3.93Å; F430-F487 HydrophobicContact CD2-CG 3.93Å; F430-F487 HydrophobicContact CD2-CZ 4.38Å; F430-F487 HydrophobicContact CG-CE1 4.49Å; H435-F487 HydrophobicContact CB-CE2 4.43Å; H435-F487 WeakPolarHBondContact O-CD2 3.4Å; H435-F487 VanDerWaalsContact O-CE2 3.31Å; H435-F487 WeakPolarHBondContact O-CE2 3.35Å; V437-F487 HydrophobicContact CG2-CE1 4.41Å; V437-F487 HydrophobicContact CG2-CE2 3.78Å; V437-F487 HydrophobicContact CG2-CZ 3.71Å; V437-F487 PolarHBondContact N-O 3.13Å; F459-F487 HydrophobicContact CB-CD1 4.31Å; F459-F487 HydrophobicContact CD1-CD1 4.14Å; F459-F487 HydrophobicContact CG-CD1 4.11Å; E460-F487 PolarHBondContact O-N 2.86Å; N485-F487 PolarHBondContact O-N 2.75Å; N485-F487 VanDerWaalsContact O-N 3.1Å
488	I	92.2	Very high	81.6	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	134.1	-170.8	-59.2	173.9	0	0	0	111.4	L426 V437 I439 F459 E460 Y461 R462 L490	L426-I488 HydrophobicContact CD1-CD1 4.22Å; L426-I488 HydrophobicContact CD2-CD1 4.37Å; V437-I488 WeakPolarHBondContact O-CA 3.44Å; I439-I488 HydrophobicContact CD1-CG2 3.8Å; I439-I488 HydrophobicContact CG1-CG2 4.13Å; F459-I488 HydrophobicContact CB-CD1 4.05Å; F459-I488 HydrophobicContact CD2-CD1 3.85Å; F459-I488 HydrophobicContact CG-CD1 4.21Å; E460-I488 PolarHBondContact O-N 3.14Å; Y461-I488 CarbonylContact C-O 3.01Å; Y461-I488 WeakPolarHBondContact CA-O 3.48Å; R462-I488 PolarHBondContact N-O 3.13Å; I488-L490 HydrophobicContact CG2-CD2 3.6Å; I488-L490 HydrophobicContact CG2-CG 4.17Å
489	L	90.9	Very high	80.2	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	115.8	165.5	-179.9	66.3	0	0	0	110	V437 L438 I439 R462 L477 F480 L491 L502	V437-L489 PolarHBondContact O-N 2.84Å; L438-L489 WeakPolarHBondContact CA-O 3.43Å; L438-L489 HydrophobicContact CD2-CB 3.7Å; L438-L489 HydrophobicContact CD2-CD2 3.85Å; L438-L489 HydrophobicContact CD2-CG 4.2Å; I439-L489 PolarHBondContact N-O 3.39Å; R462-L489 HydrophobicContact CB-CD1 3.88Å; R462-L489 CarbonylContact O-C 3.56Å; R462-L489 WeakPolarHBondContact O-CA 3.31Å; L477-L489 HydrophobicContact CD2-CD2 4.16Å; F480-L489 HydrophobicContact CB-CD1 4.47Å; F480-L489 HydrophobicContact CB-CD2 4.27Å; F480-L489 HydrophobicContact CD1-CB 4.39Å; F480-L489 HydrophobicContact CD1-CD2 3.83Å; F480-L489 HydrophobicContact CD2-CB 3.58Å; F480-L489 HydrophobicContact CD2-CD2 4.41Å; F480-L489 HydrophobicContact CD2-CG 4.45Å; F480-L489 HydrophobicContact CE1-CB 4.44Å; F480-L489 HydrophobicContact CE1-CD2 4.24Å; F480-L489 HydrophobicContact CE2-CB 3.63Å; F480-L489 HydrophobicContact CG-CB 3.95Å; F480-L489 HydrophobicContact CG-CD2 3.9Å; F480-L489 HydrophobicContact CG-CG 4.37Å; F480-L489 HydrophobicContact CZ-CB 4.06Å; L489-L491 HydrophobicContact CD2-CD1 3.92Å; L489-L491 HydrophobicContact CD2-CD2 4.37Å; L489-L491 HydrophobicContact CD2-CG 4.27Å; L489-L491 HydrophobicContact CG-CD1 4Å; L489-L491 HydrophobicContact CG-CD2 4.48Å; L489-L491 HydrophobicContact CG-CG 4.03Å; L489-L502 HydrophobicContact CD2-CD2 3.63Å
490	L	91.6	Very high	79.1	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	120.3	178.5	-56.2	178.6	0	0	0	109.7	I439 I447 L450 E451 Y461 R462 S463 Y464 I488	I439-L490 HydrophobicContact CB-CD2 3.94Å; I439-L490 HydrophobicContact CD1-CD2 4.02Å; I439-L490 HydrophobicContact CG1-CD2 4.37Å; I447-L490 HydrophobicContact CG2-CB 4.01Å; I447-L490 HydrophobicContact CG2-CD1 4.11Å; L450-L490 HydrophobicContact CB-CD1 3.97Å; L450-L490 HydrophobicContact CB-CD2 3.97Å; L450-L490 HydrophobicContact CD1-CD2 4.21Å; E451-L490 HydrophobicContact CG-CD1 3.61Å; Y461-L490 HydrophobicContact CD2-CD1 3.95Å; Y461-L490 HydrophobicContact CE2-CD1 4.38Å; R462-L490 PolarHBondContact O-N 3.1Å; S463-L490 CarbonylContact C-O 3.57Å; Y464-L490 PolarHBondContact N-O 3.23Å; I488-L490 HydrophobicContact CG2-CD2 3.6Å; I488-L490 HydrophobicContact CG2-CG 4.17Å
491	L	87.6	Confident	78	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.1	-173.6	-73.6	148.8	0	0	0	110.7	L438 I439 F440 S441 Y464 L489 L500 L502	L438-L491 HydrophobicContact CB-CD1 4.19Å; L438-L491 HydrophobicContact CD1-CD1 4.05Å; L438-L491 HydrophobicContact CD2-CD1 3.97Å; L438-L491 HydrophobicContact CG-CD1 4.31Å; I439-L491 PolarHBondContact O-N 3.04Å; F440-L491 CarbonylContact C-O 3.56Å; F440-L491 VanDerWaalsContact CA-O 3.27Å; F440-L491 WeakPolarHBondContact CA-O 3.48Å; F440-L491 HydrophobicContact CD1-CB 3.56Å; F440-L491 HydrophobicContact CD1-CD1 4.32Å; F440-L491 HydrophobicContact CE1-CB 3.6Å; F440-L491 HydrophobicContact CE1-CD1 3.59Å; F440-L491 HydrophobicContact CE1-CG 4.11Å; F440-L491 HydrophobicContact CE2-CD1 4.18Å; F440-L491 HydrophobicContact CG-CB 4.26Å; F440-L491 HydrophobicContact CZ-CB 4.31Å; F440-L491 HydrophobicContact CZ-CD1 3.5Å; F440-L491 HydrophobicContact CZ-CG 4.48Å; S441-L491 PolarHBondContact N-O 3.1Å; Y464-L491 HydrophobicContact CD1-CD2 3.66Å; Y464-L491 HydrophobicContact CG-CD2 3.7Å; Y464-L491 WeakPolarHBondContact O-CA 3.2Å; L489-L491 HydrophobicContact CD2-CD1 3.92Å; L489-L491 HydrophobicContact CD2-CD2 4.37Å; L489-L491 HydrophobicContact CD2-CG 4.27Å; L489-L491 HydrophobicContact CG-CD1 4Å; L489-L491 HydrophobicContact CG-CD2 4.48Å; L489-L491 HydrophobicContact CG-CG 4.03Å; L491-L500 HydrophobicContact CD2-CD1 4.13Å; L491-L502 HydrophobicContact CD1-CD1 3.92Å
492	S	85.1	Confident	77.1	Confident	8 Å²	8	35 Å²	35	6%	0.056	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	130.7	161.3	176.1	0	0	0	0	109	S441 Y464 R494 A495 G496	S441-S492 CarbonylContact O-C 3.51Å; S441-S492 VanDerWaalsContact O-CA 3.28Å; S441-S492 WeakPolarHBondContact O-CA 3.26Å; Y464-S492 PolarHBondContact O-N 3.38Å; S492-R494 PolarHBondContact O-N 3.15Å; S492-R494 VanDerWaalsContact O-N 3.11Å; S492-A495 PolarHBondContact O-N 3.44Å; S492-G496 PolarHBondContact O-N 2.83Å
493	T	76.7	Confident	75.7	Confident	11 Å²	11	32.3 Å²	32.3	7%	0.067	17%	0.172	C	C	.	.	H	α-helix	trans	-54.7	-37.6	-177.5	-44.3	0	0	0	0	112.5	S441 Q442 G497 D512	S441-T493 PolarHBondContact O-N 3.01Å; S441-T493 PolarHBondContact O-OG1 3.37Å; Q442-T493 VanDerWaalsContact NE2-CG2 3.28Å; Q442-T493 PolarHBondContact NE2-OG1 3.06Å; Q442-T493 VanDerWaalsContact NE2-OG1 3.14Å; T493-G497 PolarHBondContact O-N 3.25Å; T493-D512 HydrophobicContact CG2-CB 3.88Å; T493-D512 WeakPolarHBondContact CG2-OD2 3.36Å
494	R	69.9	Low	74.2	Confident	203 Å²	203	31.2 Å²	31.2	77%	0.766	17%	0.17	S	C	*	.	H	α-helix	trans	-68.8	-34.7	177.9	-67.3	-176.5	-179.4	178.7	0	113.4	S492 L498	S492-R494 PolarHBondContact O-N 3.15Å; S492-R494 VanDerWaalsContact O-N 3.11Å; R494-L498 WeakPolarHBondContact O-CD1 3.33Å
495	A	68.3	Low	73	Confident	10 Å²	10	27.1 Å²	27.1	8%	0.083	14%	0.136	C	C	.	.	H	α-helix	trans	-83.1	-43.1	-179.5	0	0	0	0	0	111.1	Y464 S492	Y464-A495 HydrophobicContact CD1-CB 3.93Å; Y464-A495 HydrophobicContact CE1-CB 3.81Å; S492-A495 PolarHBondContact O-N 3.44Å
496	G	59.2	Low	71.6	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-80.8	-25.9	-176.3	0	0	0	0	0	115.2	S492 L498	S492-G496 PolarHBondContact O-N 2.83Å; G496-L498 PolarHBondContact O-N 3.49Å
497	G	59	Low	69.7	Low	3 Å²	3	21.8 Å²	21.8	3%	0.031	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-21.4	178.5	0	0	0	0	0	113.8	T493 G499 Q514 R518	T493-G497 PolarHBondContact O-N 3.25Å; G497-G499 PolarHBondContact O-N 3.39Å; G497-G499 VanDerWaalsContact O-N 3.14Å; G497-Q514 VanDerWaalsContact O-CD 3.25Å; G497-Q514 PolarHBondContact O-NE2 2.71Å; G497-Q514 PolarHBondContact O-OE1 3.35Å; G497-R518 PolarHBondContact O-NH2 3.25Å
498	L	59.1	Low	67.9	Low	39 Å²	39	21.3 Å²	21.3	20%	0.204	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	80.5	-178	-63.1	173.3	0	0	0	111.1	A156 R494 G496 L500	A156-L498 HydrophobicContact CB-CB 4.13Å; A156-L498 WeakPolarHBondContact CB-O 3.35Å; R494-L498 WeakPolarHBondContact O-CD1 3.33Å; G496-L498 PolarHBondContact O-N 3.49Å; L498-L500 PolarHBondContact O-N 3.22Å
499	G	55.9	Low	65.2	Low	6 Å²	6	21.4 Å²	21.4	6%	0.062	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	81	9.6	150.1	0	0	0	0	0	119.2	T157 G497 R518	T157-G499 VanDerWaalsContact CG2-CA 3.46Å; G497-G499 PolarHBondContact O-N 3.39Å; G497-G499 VanDerWaalsContact O-N 3.14Å; G499-R518 VanDerWaalsContact N-NH2 3.17Å
500	L	66.6	Low	63.2	Low	7 Å²	7	24 Å²	24	4%	0.037	12%	0.119	C	C	.	.			trans	-75	149.4	-175.6	-54.9	-179.2	0	0	0	113	Y464 L477 L491 L498 L502	Y464-L500 HydrophobicContact CD1-CD1 4.04Å; Y464-L500 HydrophobicContact CD2-CD1 4.34Å; Y464-L500 HydrophobicContact CE1-CD1 3.62Å; Y464-L500 HydrophobicContact CE2-CD1 3.9Å; Y464-L500 HydrophobicContact CE2-CD2 4.41Å; Y464-L500 HydrophobicContact CG-CD1 4.42Å; L477-L500 HydrophobicContact CD1-CD1 4.26Å; L477-L500 HydrophobicContact CD1-CD2 3.79Å; L477-L500 HydrophobicContact CD1-CG 4.47Å; L477-L500 HydrophobicContact CD2-CD1 4.15Å; L491-L500 HydrophobicContact CD2-CD1 4.13Å; L498-L500 PolarHBondContact O-N 3.22Å; L500-L502 HydrophobicContact CB-CD1 4.21Å; L500-L502 HydrophobicContact CB-CG 4.04Å
501	N	65.8	Low	61.3	Low	49 Å²	49	24.7 Å²	24.7	26%	0.262	12%	0.123	S	C	.	.			trans	-95.8	98.1	174.3	-164.7	19.9	0	0	0	110.2	N481 M503	N481-N501 PolarHBondContact ND2-O 3.07Å; N501-M503 WeakPolarHBondContact OD1-CG 3.48Å
502	L	64.5	Low	60	Low	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.138	C	C	.	.			trans	-117.8	42.5	-171.5	-64.2	174.4	0	0	0	112.3	L438 L477 F480 L489 L491 L500 A504 A505	L438-L502 HydrophobicContact CD1-CB 4.19Å; L438-L502 HydrophobicContact CD1-CD1 3.68Å; L438-L502 HydrophobicContact CD1-CG 4.49Å; L477-L502 HydrophobicContact CD2-CD2 3.48Å; L477-L502 VanDerWaalsContact CD2-CD2 3.48Å; F480-L502 HydrophobicContact CD1-CD2 4.46Å; L489-L502 HydrophobicContact CD2-CD2 3.63Å; L491-L502 HydrophobicContact CD1-CD1 3.92Å; L500-L502 HydrophobicContact CB-CD1 4.21Å; L500-L502 HydrophobicContact CB-CG 4.04Å; L502-A504 PolarHBondContact O-N 2.99Å; L502-A505 PolarHBondContact O-N 2.93Å
503	M	56.5	Low	59.1	Low	75 Å²	75	29.7 Å²	29.7	37%	0.369	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-19.3	-175	-64.6	-178.3	-57	0	0	114.1	N501 A505 Q524	N501-M503 WeakPolarHBondContact OD1-CG 3.48Å; M503-A505 VanDerWaalsContact C-N 3.26Å; M503-A505 PolarHBondContact O-N 3.07Å; M503-Q524 PolarHBondContact O-NE2 2.83Å
504	A	55.6	Low	58.6	Low	29 Å²	29	30.6 Å²	30.6	24%	0.24	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-14.4	-177.6	0	0	0	0	0	113.8	K436 F480 L502	K436-A504 WeakPolarHBondContact CB-O 3.38Å; K436-A504 HydrophobicContact CD-CB 3.96Å; F480-A504 HydrophobicContact CE1-CB 4.24Å; L502-A504 PolarHBondContact O-N 2.99Å
505	A	58.3	Low	58.2	Low	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.116	C	C	.	.			trans	-93.9	136.8	-174.9	0	0	0	0	0	113.8	L438 F480 L502 M503 Q524	L438-A505 HydrophobicContact CD1-CB 3.95Å; L438-A505 HydrophobicContact CD2-CB 3.68Å; L438-A505 HydrophobicContact CG-CB 3.45Å; L438-A505 VanDerWaalsContact CG-CB 3.45Å; F480-A505 HydrophobicContact CE1-CB 3.98Å; F480-A505 HydrophobicContact CZ-CB 3.88Å; L502-A505 PolarHBondContact O-N 2.93Å; M503-A505 VanDerWaalsContact C-N 3.26Å; M503-A505 PolarHBondContact O-N 3.07Å; A505-Q524 PolarHBondContact O-NE2 2.87Å; A505-Q524 VanDerWaalsContact O-NE2 3.1Å
506	D	57.7	Low	58.3	Low	6 Å²	6	20.4 Å²	20.4	3%	0.032	11%	0.112	C	C	.	.			trans	-110	-19.2	-176.8	-57.5	-32.8	0	0	0	112.5	K436 Q524 K526 V528 N529	K436-D506 PolarHBondContact O-N 3.45Å; D506-Q524 PolarHBondContact OD1-NE2 3.3Å; D506-K526 VanDerWaalsContact CG-CD 3.49Å; D506-K526 WeakPolarHBondContact OD2-CD 3.46Å; D506-K526 IonicContact OD2-NZ 2.74Å; D506-K526 PolarHBondContact OD2-NZ 3.04Å; D506-K526 VanDerWaalsContact OD2-NZ 3.11Å; D506-V528 VanDerWaalsContact O-CA 3.32Å; D506-V528 WeakPolarHBondContact O-CA 3.46Å; D506-N529 PolarHBondContact O-N 3.5Å
507	T	50.7	Low	58.7	Low	1 Å²	1	21.5 Å²	21.5	1%	0.006	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	134.4	-176.5	-61.8	0	0	0	0	112.4	L429 K436 V437 L438 P509 N529 Y531	L429-T507 HydrophobicContact CD1-CG2 3.92Å; K436-T507 PolarHBondContact O-N 3.28Å; V437-T507 WeakPolarHBondContact CA-O 3.35Å; V437-T507 HydrophobicContact CG1-CG2 4.33Å; L438-T507 PolarHBondContact N-O 3.38Å; T507-P509 HydrophobicContact CG2-CG 4.28Å; T507-N529 VanDerWaalsContact CA-O 3.31Å; T507-N529 WeakPolarHBondContact CA-O 3.18Å; T507-Y531 HydrophobicContact CG2-CD2 3.75Å; T507-Y531 HydrophobicContact CG2-CE2 3.65Å
508	N	54.4	Low	59.2	Low	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	103.5	176.9	176.9	3.5	0	0	0	112	L438 F440 Q510 T516 N529 A530 Y531	L438-N508 WeakPolarHBondContact O-CA 3.46Å; L438-N508 PolarHBondContact O-OD1 2.81Å; F440-N508 WeakPolarHBondContact CD2-ND2 3.34Å; F440-N508 WeakPolarHBondContact CD2-OD1 3.45Å; F440-N508 VanDerWaalsContact CE2-ND2 3.3Å; F440-N508 WeakPolarHBondContact CE2-ND2 3.17Å; N508-Q510 PolarHBondContact O-N 3.44Å; N508-Q510 PolarHBondContact OD1-N 2.91Å; N508-Q510 VanDerWaalsContact OD1-N 3.1Å; N508-Q510 PolarHBondContact OD1-O 3.37Å; N508-T516 PolarHBondContact ND2-OG1 3.29Å; N508-N529 PolarHBondContact N-O 3.31Å; N508-A530 CarbonylContact O-C 3.59Å; N508-A530 VanDerWaalsContact O-CA 3.29Å; N508-A530 WeakPolarHBondContact O-CA 3.25Å; N508-Y531 PolarHBondContact O-N 3.47Å
509	P	35.9	Very low	59.7	Low	2 Å²	2	20.7 Å²	20.7	1%	0.013	11%	0.111	C	C	.	.	S	Bend	trans	-81.8	12.4	-178.3	-16	33.4	0	0	0	118.3	V437 L438 T507 Y531	V437-P509 HydrophobicContact CG1-CG 3.86Å; L438-P509 WeakPolarHBondContact O-CD 3.44Å; T507-P509 HydrophobicContact CG2-CG 4.28Å; P509-Y531 CarbonylContact C-O 3.53Å; P509-Y531 WeakPolarHBondContact CA-O 3.19Å
510	Q	47.9	Very low	60.5	Low	56 Å²	56	21.9 Å²	21.9	26%	0.262	11%	0.114	S	C	.	.	S	Bend	trans	-152.5	103.7	171.1	-157.9	163.5	-15.4	0	0	112.9	F440 N508 D512 Y531	F440-Q510 HydrophobicContact CB-CB 4.37Å; F440-Q510 VanDerWaalsContact O-CB 3.23Å; F440-Q510 WeakPolarHBondContact O-CB 3.4Å; F440-Q510 WeakPolarHBondContact O-CG 2.95Å; F440-Q510 PolarHBondContact O-OE1 3.35Å; N508-Q510 PolarHBondContact O-N 3.44Å; N508-Q510 PolarHBondContact OD1-N 2.91Å; N508-Q510 VanDerWaalsContact OD1-N 3.1Å; N508-Q510 PolarHBondContact OD1-O 3.37Å; Q510-D512 PolarHBondContact O-N 2.87Å; Q510-Y531 PolarHBondContact N-O 3.45Å; Q510-Y531 VanDerWaalsContact N-O 3.13Å
511	C	51.8	Low	60.8	Low	13 Å²	13	23.3 Å²	23.3	9%	0.088	12%	0.119	C	C	.	.			trans	-86.3	111.9	-160.7	-171.7	0	0	0	0	114.7	T516 R532	C511-T516 PolarHBondContact SG-OG1 3.13Å; C511-R532 VanDerWaalsContact CB-NH2 3.31Å; C511-R532 PolarHBondContact O-NH1 2.95Å; C511-R532 PolarHBondContact O-NH2 3.49Å
512	D	61.9	Low	60.9	Low	59 Å²	59	22.7 Å²	22.7	32%	0.316	12%	0.115	S	C	.	.			trans	-101.6	128	146.7	-174.1	-15.6	0	0	0	105.8	T493 Q510 Q514 A515 T516	T493-D512 HydrophobicContact CG2-CB 3.88Å; T493-D512 WeakPolarHBondContact CG2-OD2 3.36Å; Q510-D512 PolarHBondContact O-N 2.87Å; D512-Q514 PolarHBondContact O-N 3.32Å; D512-Q514 PolarHBondContact OD1-N 3.03Å; D512-A515 HydrophobicContact CB-CB 4.05Å; D512-A515 WeakPolarHBondContact O-CA 3.24Å; D512-A515 WeakPolarHBondContact O-CB 3.34Å; D512-A515 PolarHBondContact O-N 2.97Å; D512-T516 PolarHBondContact O-N 2.69Å; D512-T516 PolarHBondContact O-OG1 3.37Å
513	N	65.2	Low	61.2	Low	54 Å²	54	25 Å²	25	29%	0.289	14%	0.139	S	C	.	.	H	α-helix	trans	-56	-38.4	-175.8	-70.3	-4.5	0	0	0	110.7	A515 T516 D517	N513-A515 PolarHBondContact O-N 3.43Å; N513-T516 PolarHBondContact O-N 3.11Å; N513-D517 WeakPolarHBondContact O-CB 3.27Å; N513-D517 VanDerWaalsContact O-CG 3.23Å; N513-D517 PolarHBondContact O-N 3.48Å
514	Q	65.6	Low	62	Low	30 Å²	30	22.1 Å²	22.1	14%	0.14	13%	0.125	C	C	.	.	H	α-helix	trans	-59.9	-35.5	177.6	-164.2	177.5	25.2	0	0	112.1	M125 G497 D512 R518	M125-Q514 HydrophobicContact CE-CB 4.35Å; M125-Q514 HydrophobicContact CE-CG 3.42Å; M125-Q514 VanDerWaalsContact CE-CG 3.42Å; M125-Q514 WeakPolarHBondContact CE-O 3.2Å; M125-Q514 HydrophobicContact SD-CB 4.26Å; M125-Q514 HydrophobicContact SD-CG 3.7Å; G497-Q514 VanDerWaalsContact O-CD 3.25Å; G497-Q514 PolarHBondContact O-NE2 2.71Å; G497-Q514 PolarHBondContact O-OE1 3.35Å; D512-Q514 PolarHBondContact O-N 3.32Å; D512-Q514 PolarHBondContact OD1-N 3.03Å; Q514-R518 WeakPolarHBondContact O-CG 3.29Å
515	A	63.1	Low	62.9	Low	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-77.9	-44.4	179.5	0	0	0	0	0	112	F440 D512 N513 D517 R518	F440-A515 HydrophobicContact CD1-CB 4.01Å; F440-A515 HydrophobicContact CD2-CB 4.29Å; F440-A515 HydrophobicContact CE1-CB 3.57Å; F440-A515 HydrophobicContact CE2-CB 3.88Å; F440-A515 HydrophobicContact CG-CB 4.34Å; F440-A515 HydrophobicContact CZ-CB 3.5Å; D512-A515 HydrophobicContact CB-CB 4.05Å; D512-A515 WeakPolarHBondContact O-CA 3.24Å; D512-A515 WeakPolarHBondContact O-CB 3.34Å; D512-A515 PolarHBondContact O-N 2.97Å; N513-A515 PolarHBondContact O-N 3.43Å; A515-D517 VanDerWaalsContact C-N 3.28Å; A515-D517 PolarHBondContact O-N 3.18Å; A515-R518 WeakPolarHBondContact O-CB 3.24Å; A515-R518 PolarHBondContact O-N 3.35Å
516	T	68.6	Low	64	Low	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.2	-37.9	177.7	-54	0	0	0	0	111.6	K339 N508 C511 D512 N513 R518 C519 Y520 A530	K339-T516 HydrophobicContact CD-CG2 4.43Å; K339-T516 VanDerWaalsContact CE-CG2 3.47Å; N508-T516 PolarHBondContact ND2-OG1 3.29Å; C511-T516 PolarHBondContact SG-OG1 3.13Å; D512-T516 PolarHBondContact O-N 2.69Å; D512-T516 PolarHBondContact O-OG1 3.37Å; N513-T516 PolarHBondContact O-N 3.11Å; T516-R518 PolarHBondContact O-N 2.51Å; T516-C519 PolarHBondContact O-N 3.04Å; T516-C519 VanDerWaalsContact O-N 3.12Å; T516-Y520 PolarHBondContact O-N 3.42Å; T516-A530 HydrophobicContact CG2-CB 3.83Å
517	D	68.3	Low	65.2	Low	22 Å²	22	35.2 Å²	35.2	12%	0.118	19%	0.19	C	C	.	.	H	α-helix	trans	-72.4	-10.6	177.5	-64.6	-24.4	0	0	0	113.4	M125 K329 K339 N513 A515	M125-D517 HydrophobicContact CB-CB 4.01Å; M125-D517 HydrophobicContact SD-CB 4.34Å; K329-D517 IonicContact NZ-OD1 3.8Å; K339-D517 IonicContact NZ-OD1 3.11Å; K339-D517 PolarHBondContact NZ-OD1 3.4Å; N513-D517 WeakPolarHBondContact O-CB 3.27Å; N513-D517 VanDerWaalsContact O-CG 3.23Å; N513-D517 PolarHBondContact O-N 3.48Å; A515-D517 VanDerWaalsContact C-N 3.28Å; A515-D517 PolarHBondContact O-N 3.18Å
518	R	68.9	Low	66.8	Low	25 Å²	25	35.2 Å²	35.2	9%	0.094	19%	0.19	C	C	.	.	H	α-helix	trans	-73.9	-33	167.6	-57.5	-52.9	178.2	172.9	-5.9	112.3	M125 E232 G497 G499 Q514 A515 T516	M125-R518 VanDerWaalsContact CE-NE 3.29Å; M125-R518 VanDerWaalsContact CE-NH2 3.32Å; E232-R518 IonicContact OE1-CZ 3.87Å; E232-R518 IonicContact OE1-NH2 2.78Å; E232-R518 PolarHBondContact OE1-NH2 3.4Å; G497-R518 PolarHBondContact O-NH2 3.25Å; G499-R518 VanDerWaalsContact N-NH2 3.17Å; Q514-R518 WeakPolarHBondContact O-CG 3.29Å; A515-R518 WeakPolarHBondContact O-CB 3.24Å; A515-R518 PolarHBondContact O-N 3.35Å; T516-R518 PolarHBondContact O-N 2.51Å
519	C	71.6	Confident	68.3	Low	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-77.5	-43.9	172.3	-52.2	0	0	0	0	110.9	L438 T516 R521 V528	L438-C519 WeakPolarHBondContact CD1-SG 3.42Å; T516-C519 PolarHBondContact O-N 3.04Å; T516-C519 VanDerWaalsContact O-N 3.12Å; C519-R521 VanDerWaalsContact C-N 3.29Å; C519-R521 PolarHBondContact O-N 2.58Å; C519-V528 HydrophobicContact CB-CG1 4.19Å
520	Y	72.3	Confident	70.7	Confident	31 Å²	31	36.8 Å²	36.8	12%	0.122	20%	0.199	C	C	.	.	S	Bend	trans	-82.9	71.3	-179	-169	-113.4	0	0	0	111.4	K329 L336 P337 K339 T516 V528	K329-Y520 HydrophobicContact CD-CD1 3.84Å; K329-Y520 HydrophobicContact CD-CE1 3.83Å; K329-Y520 PolarHBondContact NZ-O 3.45Å; L336-Y520 HydrophobicContact CB-CE2 4.15Å; L336-Y520 WeakPolarHBondContact CB-OH 3.33Å; L336-Y520 HydrophobicContact CD1-CE1 4.06Å; P337-Y520 HydrophobicContact CG-CE2 4.35Å; P337-Y520 WeakPolarHBondContact O-CE2 3.13Å; P337-Y520 VanDerWaalsContact O-CZ 3.32Å; P337-Y520 PolarHBondContact O-OH 3.36Å; K339-Y520 HydrophobicContact CB-CD1 4.43Å; K339-Y520 HydrophobicContact CB-CD2 4.1Å; K339-Y520 HydrophobicContact CB-CE1 4.36Å; K339-Y520 HydrophobicContact CB-CE2 4.04Å; K339-Y520 HydrophobicContact CB-CG 4.29Å; K339-Y520 HydrophobicContact CD-CD1 4.01Å; K339-Y520 HydrophobicContact CD-CG 4.11Å; T516-Y520 PolarHBondContact O-N 3.42Å; Y520-V528 HydrophobicContact CD2-CB 4.32Å; Y520-V528 HydrophobicContact CD2-CG2 4.01Å
521	R	71.7	Confident	72.7	Confident	38 Å²	38	36 Å²	36	14%	0.143	19%	0.194	C	C	.	.	S	Bend	trans	-123.8	162.2	-177.6	-171.8	166.8	-174.1	-177.9	0.7	111.4	C519 G523 Q524	C519-R521 VanDerWaalsContact C-N 3.29Å; C519-R521 PolarHBondContact O-N 2.58Å; R521-G523 PolarHBondContact O-N 2.97Å; R521-Q524 VanDerWaalsContact O-CB 3.32Å; R521-Q524 WeakPolarHBondContact O-CB 3.35Å; R521-Q524 PolarHBondContact O-N 3Å
522	I	67.9	Low	74.5	Confident	35 Å²	35	38.6 Å²	38.6	18%	0.179	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	121.7	170.1	-64.3	173.1	0	0	0	109.6	R99 Y101 G126 L127	R99-I522 VanDerWaalsContact CZ-CG2 3.42Å; Y101-I522 WeakPolarHBondContact OH-CD1 3.06Å; G126-I522 WeakPolarHBondContact O-CD1 3.49Å; L127-I522 HydrophobicContact CD2-CD1 4.5Å
523	G	71.2	Confident	75.9	Confident	50 Å²	50	36.6 Å²	36.6	52%	0.515	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	110	-11.6	-175	0	0	0	0	0	114.3	R521 N525	R521-G523 PolarHBondContact O-N 2.97Å; G523-N525 PolarHBondContact O-N 2.89Å
524	Q	73.1	Confident	77.1	Confident	13 Å²	13	34.1 Å²	34.1	6%	0.061	18%	0.178	C	C	.	.			trans	-74	122.6	171.9	179.7	51.5	-77.6	0	0	110.1	P337 M503 A505 D506 R521 K526 V528	P337-Q524 WeakPolarHBondContact CD-O 3.4Å; P337-Q524 HydrophobicContact CG-CG 4.14Å; P337-Q524 WeakPolarHBondContact CG-O 3.37Å; M503-Q524 PolarHBondContact O-NE2 2.83Å; A505-Q524 PolarHBondContact O-NE2 2.87Å; A505-Q524 VanDerWaalsContact O-NE2 3.1Å; D506-Q524 PolarHBondContact OD1-NE2 3.3Å; R521-Q524 VanDerWaalsContact O-CB 3.32Å; R521-Q524 WeakPolarHBondContact O-CB 3.35Å; R521-Q524 PolarHBondContact O-N 3Å; Q524-K526 WeakPolarHBondContact CG-O 3.5Å; Q524-V528 HydrophobicContact CG-CG2 3.73Å
525	N	75.9	Confident	78.4	Confident	148 Å²	148	32.7 Å²	32.7	79%	0.791	17%	0.171	S	C	*	.			trans	-103.3	-12.3	-176.9	-63.2	-32.4	0	0	0	112.8	G523	G523-N525 PolarHBondContact O-N 2.89Å
526	K	80.1	Confident	79.6	Confident	91 Å²	91	40.4 Å²	40.4	40%	0.396	20%	0.201	S	C	.	.	S	Bend	trans	-111	151.2	-177.7	-68.4	175.4	-178.7	176.2	0	111.7	P337 G434 D506 Q524 V528	P337-K526 WeakPolarHBondContact CG-O 3.39Å; G434-K526 PolarHBondContact O-NZ 3.19Å; D506-K526 VanDerWaalsContact CG-CD 3.49Å; D506-K526 WeakPolarHBondContact OD2-CD 3.46Å; D506-K526 IonicContact OD2-NZ 2.74Å; D506-K526 PolarHBondContact OD2-NZ 3.04Å; D506-K526 VanDerWaalsContact OD2-NZ 3.11Å; Q524-K526 WeakPolarHBondContact CG-O 3.5Å; K526-V528 PolarHBondContact O-N 2.96Å
527	P	83.5	Confident	80.4	Confident	72 Å²	72	42.6 Å²	42.6	47%	0.468	22%	0.223	S	C	.	.			trans	-61.9	134.3	173.9	27	-33.9	0	0	0	110.7	R338	R338-P527 WeakPolarHBondContact O-CA 3.47Å
528	V	84	Confident	81.3	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	119.1	-179.7	179.6	0	0	0	0	109.2	R338 K339 N340 D506 C519 Y520 Q524 K526	R338-V528 PolarHBondContact O-N 3.26Å; R338-V528 VanDerWaalsContact O-N 3.14Å; K339-V528 WeakPolarHBondContact CA-O 3.45Å; N340-V528 PolarHBondContact N-O 2.88Å; D506-V528 VanDerWaalsContact O-CA 3.32Å; D506-V528 WeakPolarHBondContact O-CA 3.46Å; C519-V528 HydrophobicContact CB-CG1 4.19Å; Y520-V528 HydrophobicContact CD2-CB 4.32Å; Y520-V528 HydrophobicContact CD2-CG2 4.01Å; Q524-V528 HydrophobicContact CG-CG2 3.73Å; K526-V528 PolarHBondContact O-N 2.96Å
529	N	86.9	Confident	82	Confident	34 Å²	34	42.4 Å²	42.4	18%	0.182	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	112.3	177.7	-64.4	-44.5	0	0	0	109.9	N340 F342 D506 T507 N508 Y531	N340-N529 PolarHBondContact ND2-OD1 3.14Å; F342-N529 HydrophobicContact CE2-CB 4.33Å; D506-N529 PolarHBondContact O-N 3.5Å; T507-N529 VanDerWaalsContact CA-O 3.31Å; T507-N529 WeakPolarHBondContact CA-O 3.18Å; N508-N529 PolarHBondContact N-O 3.31Å; N529-Y531 HydrophobicContact CB-CE2 3.71Å
530	A	86.3	Confident	82.8	Confident	2 Å²	2	43.2 Å²	43.2	2%	0.017	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	121	174.6	0	0	0	0	0	109.7	N340 E341 F342 N508 T516	N340-A530 PolarHBondContact O-N 2.72Å; E341-A530 CarbonylContact C-O 3.6Å; E341-A530 WeakPolarHBondContact CA-O 3.36Å; E341-A530 HydrophobicContact CG-CB 4.31Å; F342-A530 PolarHBondContact N-O 2.97Å; N508-A530 CarbonylContact O-C 3.59Å; N508-A530 VanDerWaalsContact O-CA 3.29Å; N508-A530 WeakPolarHBondContact O-CA 3.25Å; T516-A530 HydrophobicContact CG2-CB 3.83Å
531	Y	89.5	Confident	83.5	Confident	39 Å²	39	44.2 Å²	44.2	15%	0.153	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	142.1	174.2	-56.4	-90.7	0	0	0	109.1	F342 V344 L425 T507 N508 P509 Q510 N529	F342-Y531 HydrophobicContact CB-CD1 3.71Å; F342-Y531 HydrophobicContact CB-CE1 4.09Å; F342-Y531 AromaticContact CD2-CD1 3.84Å; F342-Y531 HydrophobicContact CD2-CD1 3.84Å; F342-Y531 AromaticContact CD2-CE1 3.49Å; F342-Y531 HydrophobicContact CD2-CE1 3.49Å; F342-Y531 VanDerWaalsContact CD2-CE1 3.49Å; F342-Y531 AromaticContact CD2-CZ 3.99Å; F342-Y531 HydrophobicContact CE2-CE1 4.15Å; F342-Y531 HydrophobicContact CG-CD1 4.11Å; F342-Y531 AromaticContact CG-CE1 3.98Å; F342-Y531 HydrophobicContact CG-CE1 3.98Å; F342-Y531 CarbonylContact O-C 3.53Å; F342-Y531 WeakPolarHBondContact O-CA 3.3Å; V344-Y531 HydrophobicContact CG2-CD1 3.94Å; L425-Y531 HydrophobicContact CD1-CE1 4.42Å; L425-Y531 HydrophobicContact CD1-CE2 4.3Å; L425-Y531 HydrophobicContact CD2-CD1 4.37Å; L425-Y531 HydrophobicContact CD2-CD2 3.84Å; L425-Y531 HydrophobicContact CD2-CE2 4.12Å; L425-Y531 HydrophobicContact CD2-CG 3.97Å; T507-Y531 HydrophobicContact CG2-CD2 3.75Å; T507-Y531 HydrophobicContact CG2-CE2 3.65Å; N508-Y531 PolarHBondContact O-N 3.47Å; P509-Y531 CarbonylContact C-O 3.53Å; P509-Y531 WeakPolarHBondContact CA-O 3.19Å; Q510-Y531 PolarHBondContact N-O 3.45Å; Q510-Y531 VanDerWaalsContact N-O 3.13Å; N529-Y531 HydrophobicContact CB-CE2 3.71Å
532	R	88.4	Confident	84.1	Confident	68 Å²	68	46.1 Å²	46.1	26%	0.257	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	106.4	173.4	-176	-172.4	-66.4	-77.4	1.6	108.1	F342 V344 C511 V534	F342-R532 PolarHBondContact O-N 3.43Å; V344-R532 PolarHBondContact N-O 3.48Å; C511-R532 VanDerWaalsContact CB-NH2 3.31Å; C511-R532 PolarHBondContact O-NH1 2.95Å; C511-R532 PolarHBondContact O-NH2 3.49Å; R532-V534 HydrophobicContact CG-CG2 4.03Å; R532-V534 PolarHBondContact O-N 3.23Å
533	L	91.6	Very high	84.9	Confident	16 Å²	16	48.1 Å²	48.1	8%	0.084	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	118.8	176.8	-55.7	-178.1	0	0	0	110.5	V344 K418 I421 M422	V344-L533 HydrophobicContact CB-CD2 3.95Å; V344-L533 HydrophobicContact CG1-CD2 4.23Å; V344-L533 WeakPolarHBondContact O-CA 3.41Å; K418-L533 HydrophobicContact CB-CD1 4.39Å; K418-L533 HydrophobicContact CD-CB 4.32Å; K418-L533 HydrophobicContact CG-CB 4.36Å; I421-L533 HydrophobicContact CG2-CD2 4.27Å; M422-L533 HydrophobicContact CB-CD1 4.03Å; M422-L533 HydrophobicContact CG-CD1 4.46Å
534	V	91.5	Very high	85.5	Confident	2 Å²	2	47 Å²	47	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	123.6	-178.1	179.2	0	0	0	0	109	V343 V344 Y345 T346 R532 D540 E541 V544	V343-V534 HydrophobicContact CG1-CB 4.41Å; V343-V534 HydrophobicContact CG1-CG2 3.73Å; V344-V534 PolarHBondContact O-N 2.87Å; Y345-V534 CarbonylContact C-O 3.51Å; Y345-V534 WeakPolarHBondContact CA-O 3.11Å; Y345-V534 HydrophobicContact CD1-CB 4.19Å; Y345-V534 HydrophobicContact CD1-CG1 4.07Å; Y345-V534 HydrophobicContact CE1-CB 4.35Å; Y345-V534 HydrophobicContact CE1-CG1 3.98Å; T346-V534 PolarHBondContact N-O 2.78Å; T346-V534 PolarHBondContact OG1-O 3.45Å; R532-V534 HydrophobicContact CG-CG2 4.03Å; R532-V534 PolarHBondContact O-N 3.23Å; V534-D540 HydrophobicContact CG1-CB 3.87Å; V534-E541 HydrophobicContact CG1-CB 4.47Å; V534-E541 HydrophobicContact CG1-CG 3.61Å; V534-V544 HydrophobicContact CG2-CG2 3.8Å
535	A	91.6	Very high	86	Confident	1 Å²	1	53 Å²	53	1%	0.008	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	125	174.6	0	0	0	0	0	111	T346 L348 A393 T538 D540	T346-A535 WeakPolarHBondContact O-CA 3.43Å; T346-A535 WeakPolarHBondContact OG1-CA 3.18Å; L348-A535 HydrophobicContact CD2-CB 3.97Å; A393-A535 HydrophobicContact CB-CB 4.21Å; A535-T538 HydrophobicContact CB-CG2 3.72Å; A535-T538 WeakPolarHBondContact CB-OG1 3.31Å; A535-T538 PolarHBondContact O-N 3.01Å; A535-T538 PolarHBondContact O-OG1 3.5Å; A535-D540 PolarHBondContact N-OD2 3.47Å
536	R	89.7	Confident	86.1	Confident	162 Å²	162	54.6 Å²	54.6	61%	0.611	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	139.4	-177	-75.3	-166.5	172	178.1	2.8	112.8	Y345 T346 T538 E541	Y345-R536 HydrophobicContact CD1-CG 3.84Å; Y345-R536 HydrophobicContact CG-CG 4.24Å; T346-R536 PolarHBondContact O-N 3.41Å; R536-T538 PolarHBondContact O-N 3.5Å; R536-E541 VanDerWaalsContact CA-OE1 3.29Å; R536-E541 WeakPolarHBondContact CA-OE1 3.24Å
537	G	84.1	Confident	85.9	Confident	45 Å²	45	52.8 Å²	52.8	46%	0.464	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	64	26.9	178.7	0	0	0	0	0	113.4	R360 E541	R360-G537 PolarHBondContact NH1-O 3.08Å; G537-E541 VanDerWaalsContact N-CD 3.32Å; G537-E541 PolarHBondContact N-OE1 3.27Å; G537-E541 PolarHBondContact N-OE2 2.61Å
538	T	86.7	Confident	85.5	Confident	13 Å²	13	51.6 Å²	51.6	8%	0.08	26%	0.257	C	S	.	.	S	Bend	trans	-121.2	177.4	177.5	74.6	0	0	0	0	111.9	L348 A393 A535 R536 D540 E541	L348-T538 HydrophobicContact CD1-CG2 3.78Å; L348-T538 HydrophobicContact CD2-CG2 3.88Å; L348-T538 HydrophobicContact CG-CG2 4.01Å; A393-T538 HydrophobicContact CB-CG2 4.42Å; A535-T538 HydrophobicContact CB-CG2 3.72Å; A535-T538 WeakPolarHBondContact CB-OG1 3.31Å; A535-T538 PolarHBondContact O-N 3.01Å; A535-T538 PolarHBondContact O-OG1 3.5Å; R536-T538 PolarHBondContact O-N 3.5Å; T538-D540 PolarHBondContact O-N 2.83Å; T538-D540 VanDerWaalsContact O-N 3.15Å; T538-D540 PolarHBondContact OG1-N 3.19Å; T538-E541 PolarHBondContact O-N 3.22Å
539	I	85.1	Confident	84.7	Confident	30 Å²	30	53.6 Å²	53.6	15%	0.154	28%	0.277	C	S	.	.	H	α-helix	trans	-57.8	-23.8	174.5	-166.3	165.6	0	0	0	113.2	P386 F389 R390 E541 I542 M543	P386-I539 HydrophobicContact CB-CD1 3.62Å; F389-I539 HydrophobicContact CB-CB 4.22Å; F389-I539 HydrophobicContact CB-CD1 4.43Å; F389-I539 HydrophobicContact CB-CG2 3.86Å; R390-I539 HydrophobicContact CG-CD1 4.43Å; R390-I539 HydrophobicContact CG-CG2 3.6Å; I539-E541 VanDerWaalsContact C-N 3.33Å; I539-E541 PolarHBondContact O-N 3.1Å; I539-I542 PolarHBondContact O-N 2.76Å; I539-M543 HydrophobicContact CG1-CG 4.25Å; I539-M543 HydrophobicContact CG1-SD 4.33Å; I539-M543 VanDerWaalsContact O-CG 3.3Å; I539-M543 WeakPolarHBondContact O-CG 3.12Å; I539-M543 PolarHBondContact O-N 3.49Å
540	D	86.8	Confident	83.7	Confident	18 Å²	18	57.6 Å²	57.6	10%	0.096	29%	0.293	C	S	.	.	H	α-helix	trans	-60.7	-41.7	179	-68.8	-17.3	0	0	0	112	K418 V534 A535 T538 I542 M543 V544	K418-D540 WeakPolarHBondContact CE-OD2 3.33Å; K418-D540 IonicContact NZ-OD1 3.63Å; K418-D540 IonicContact NZ-OD2 3.51Å; K418-D540 PolarHBondContact NZ-OD2 3.49Å; V534-D540 HydrophobicContact CG1-CB 3.87Å; A535-D540 PolarHBondContact N-OD2 3.47Å; T538-D540 PolarHBondContact O-N 2.83Å; T538-D540 VanDerWaalsContact O-N 3.15Å; T538-D540 PolarHBondContact OG1-N 3.19Å; D540-I542 PolarHBondContact O-N 2.86Å; D540-M543 WeakPolarHBondContact O-CB 3.31Å; D540-M543 PolarHBondContact O-N 3.12Å; D540-V544 WeakPolarHBondContact O-CG2 3.49Å; D540-V544 PolarHBondContact O-N 3.13Å
541	E	87.5	Confident	82.8	Confident	51 Å²	51	60.9 Å²	60.9	24%	0.238	31%	0.308	C	S	.	.	H	α-helix	trans	-63.7	-43.6	178.9	-71.4	-177.8	157.7	0	0	111.3	Y345 V534 R536 G537 T538 I539 M543 V544 Q545	Y345-E541 HydrophobicContact CE1-CG 4.19Å; V534-E541 HydrophobicContact CG1-CB 4.47Å; V534-E541 HydrophobicContact CG1-CG 3.61Å; R536-E541 VanDerWaalsContact CA-OE1 3.29Å; R536-E541 WeakPolarHBondContact CA-OE1 3.24Å; G537-E541 VanDerWaalsContact N-CD 3.32Å; G537-E541 PolarHBondContact N-OE1 3.27Å; G537-E541 PolarHBondContact N-OE2 2.61Å; T538-E541 PolarHBondContact O-N 3.22Å; I539-E541 VanDerWaalsContact C-N 3.33Å; I539-E541 PolarHBondContact O-N 3.1Å; E541-M543 VanDerWaalsContact C-N 3.29Å; E541-M543 PolarHBondContact O-N 3.4Å; E541-V544 PolarHBondContact O-N 3.04Å; E541-Q545 WeakPolarHBondContact O-CB 3.43Å; E541-Q545 WeakPolarHBondContact O-CG 3.42Å; E541-Q545 PolarHBondContact O-N 3.16Å
542	I	84.9	Confident	81.6	Confident	79 Å²	79	68.1 Å²	68.1	41%	0.405	34%	0.335	S	S	.	.	H	α-helix	trans	-62.1	-41.3	176.4	-58.6	174	0	0	0	110.1	I539 D540 Q545 R546	I539-I542 PolarHBondContact O-N 2.76Å; D540-I542 PolarHBondContact O-N 2.86Å; I542-Q545 PolarHBondContact O-N 3.37Å; I542-R546 HydrophobicContact CG2-CG 4.49Å; I542-R546 WeakPolarHBondContact O-CB 3.46Å; I542-R546 VanDerWaalsContact O-CG 3.29Å; I542-R546 WeakPolarHBondContact O-CG 3.25Å; I542-R546 PolarHBondContact O-N 3.49Å
543	M	84	Confident	80.3	Confident	76 Å²	76	68.2 Å²	68.2	37%	0.374	34%	0.341	S	S	.	.	H	α-helix	trans	-64.3	-43.4	177.4	-73.4	179.5	63.3	0	0	111.8	R390 I539 D540 E541 R546 A547	R390-M543 HydrophobicContact CG-SD 4.21Å; I539-M543 HydrophobicContact CG1-CG 4.25Å; I539-M543 HydrophobicContact CG1-SD 4.33Å; I539-M543 VanDerWaalsContact O-CG 3.3Å; I539-M543 WeakPolarHBondContact O-CG 3.12Å; I539-M543 PolarHBondContact O-N 3.49Å; D540-M543 WeakPolarHBondContact O-CB 3.31Å; D540-M543 PolarHBondContact O-N 3.12Å; E541-M543 VanDerWaalsContact C-N 3.29Å; E541-M543 PolarHBondContact O-N 3.4Å; M543-R546 PolarHBondContact O-N 3.49Å; M543-A547 VanDerWaalsContact O-CB 3.29Å; M543-A547 WeakPolarHBondContact O-CB 3.31Å; M543-A547 PolarHBondContact O-N 3.41Å
544	V	85.3	Confident	78.8	Confident	26 Å²	26	69.2 Å²	69.2	16%	0.158	35%	0.345	C	S	.	.	H	α-helix	trans	-64	-46.7	176.7	171.7	0	0	0	0	110.9	V534 D540 E541 R546 A547 S548	V534-V544 HydrophobicContact CG2-CG2 3.8Å; D540-V544 WeakPolarHBondContact O-CG2 3.49Å; D540-V544 PolarHBondContact O-N 3.13Å; E541-V544 PolarHBondContact O-N 3.04Å; V544-R546 PolarHBondContact O-N 2.73Å; V544-A547 PolarHBondContact O-N 3.46Å; V544-S548 PolarHBondContact O-N 3.3Å; V544-S548 PolarHBondContact O-OG 3.41Å
545	Q	83	Confident	77.5	Confident	140 Å²	140	72.4 Å²	72.4	65%	0.654	36%	0.361	S	S	*	.	H	α-helix	trans	-58.7	-45.6	177.2	-73.4	175.3	-5	0	0	112.1	E541 I542 S548 G549	E541-Q545 WeakPolarHBondContact O-CB 3.43Å; E541-Q545 WeakPolarHBondContact O-CG 3.42Å; E541-Q545 PolarHBondContact O-N 3.16Å; I542-Q545 PolarHBondContact O-N 3.37Å; Q545-S548 PolarHBondContact O-N 2.97Å; Q545-G549 PolarHBondContact O-N 2.96Å
546	R	77.6	Confident	76.1	Confident	182 Å²	182	75 Å²	75	69%	0.687	38%	0.383	S	S	*	.	H	α-helix	trans	-64.7	-39.4	176.5	-73.3	178.4	179.4	178.2	0.7	112.3	I542 M543 V544 G549 K550	I542-R546 HydrophobicContact CG2-CG 4.49Å; I542-R546 WeakPolarHBondContact O-CB 3.46Å; I542-R546 VanDerWaalsContact O-CG 3.29Å; I542-R546 WeakPolarHBondContact O-CG 3.25Å; I542-R546 PolarHBondContact O-N 3.49Å; M543-R546 PolarHBondContact O-N 3.49Å; V544-R546 PolarHBondContact O-N 2.73Å; R546-G549 PolarHBondContact O-N 3.5Å; R546-K550 WeakPolarHBondContact O-CG 3.31Å; R546-K550 PolarHBondContact O-N 3.15Å; R546-K550 VanDerWaalsContact O-N 3.09Å
547	A	75.1	Confident	74.6	Confident	52 Å²	52	69.3 Å²	69.3	43%	0.43	36%	0.364	S	S	.	.	H	α-helix	trans	-66.6	-43.3	176.9	0	0	0	0	0	111.6	M543 V544 K550 Q551	M543-A547 VanDerWaalsContact O-CB 3.29Å; M543-A547 WeakPolarHBondContact O-CB 3.31Å; M543-A547 PolarHBondContact O-N 3.41Å; V544-A547 PolarHBondContact O-N 3.46Å; A547-K550 WeakPolarHBondContact O-CB 3.3Å; A547-K550 PolarHBondContact O-N 3.49Å; A547-Q551 WeakPolarHBondContact O-CB 3.42Å; A547-Q551 PolarHBondContact O-N 3.13Å
548	S	75.6	Confident	73.5	Confident	47 Å²	47	68.4 Å²	68.4	33%	0.329	35%	0.349	S	S	.	.	H	α-helix	trans	-64.4	-39.3	175.2	-61.9	0	0	0	0	112.3	V544 Q545 K550 Q551 R552	V544-S548 PolarHBondContact O-N 3.3Å; V544-S548 PolarHBondContact O-OG 3.41Å; Q545-S548 PolarHBondContact O-N 2.97Å; S548-K550 VanDerWaalsContact C-N 3.33Å; S548-K550 PolarHBondContact O-N 3.37Å; S548-Q551 PolarHBondContact O-N 3.22Å; S548-R552 WeakPolarHBondContact O-CG 3.36Å; S548-R552 PolarHBondContact O-N 2.96Å
549	G	68	Low	72.3	Confident	42 Å²	42	73.3 Å²	73.3	43%	0.433	37%	0.371	S	S	.	.	H	α-helix	trans	-60.3	-43.2	173.8	0	0	0	0	0	112.3	Q545 R546 R552 L553	Q545-G549 PolarHBondContact O-N 2.96Å; R546-G549 PolarHBondContact O-N 3.5Å; G549-R552 PolarHBondContact O-N 2.99Å; G549-L553 PolarHBondContact O-N 3.32Å
550	K	65.5	Low	70.9	Confident	118 Å²	118	73 Å²	73	51%	0.513	37%	0.373	S	S	.	.	H	α-helix	trans	-62.7	-47.5	174.3	-79.8	-178.4	-179.3	-168.2	0	112.8	N265 R546 A547 S548 R552 L553 E554	N265-K550 VanDerWaalsContact OD1-CB 3.24Å; N265-K550 WeakPolarHBondContact OD1-CB 3.41Å; N265-K550 PolarHBondContact OD1-O 2.98Å; R546-K550 WeakPolarHBondContact O-CG 3.31Å; R546-K550 PolarHBondContact O-N 3.15Å; R546-K550 VanDerWaalsContact O-N 3.09Å; A547-K550 WeakPolarHBondContact O-CB 3.3Å; A547-K550 PolarHBondContact O-N 3.49Å; S548-K550 VanDerWaalsContact C-N 3.33Å; S548-K550 PolarHBondContact O-N 3.37Å; K550-R552 VanDerWaalsContact C-N 3.32Å; K550-R552 PolarHBondContact O-N 3.39Å; K550-L553 WeakPolarHBondContact O-CB 3.16Å; K550-L553 PolarHBondContact O-N 3.15Å; K550-L553 VanDerWaalsContact O-N 3.17Å; K550-E554 PolarHBondContact O-N 2.95Å
551	Q	66.6	Low	69.1	Low	72 Å²	72	72.3 Å²	72.3	34%	0.336	37%	0.37	S	S	.	.	H	α-helix	trans	-62.9	-37.1	179.3	-172.3	177.7	-2.4	0	0	112.4	A547 S548 E554 L555	A547-Q551 WeakPolarHBondContact O-CB 3.42Å; A547-Q551 PolarHBondContact O-N 3.13Å; S548-Q551 PolarHBondContact O-N 3.22Å; Q551-E554 PolarHBondContact O-N 3.2Å; Q551-L555 HydrophobicContact CG-CD1 4.2Å; Q551-L555 WeakPolarHBondContact O-CB 3.43Å; Q551-L555 WeakPolarHBondContact O-CG 3.29Å; Q551-L555 PolarHBondContact O-N 3.46Å
552	R	64.8	Low	67.3	Low	191 Å²	191	73.9 Å²	73.9	72%	0.721	37%	0.374	S	S	*	.	H	α-helix	trans	-63.8	-40.8	174.4	-74.3	175.8	-174.6	177.7	1.1	112.2	S548 G549 K550 L555 A556	S548-R552 WeakPolarHBondContact O-CG 3.36Å; S548-R552 PolarHBondContact O-N 2.96Å; G549-R552 PolarHBondContact O-N 2.99Å; K550-R552 VanDerWaalsContact C-N 3.32Å; K550-R552 PolarHBondContact O-N 3.39Å; R552-L555 PolarHBondContact O-N 2.96Å; R552-A556 VanDerWaalsContact O-CB 3.32Å; R552-A556 WeakPolarHBondContact O-CB 3.45Å; R552-A556 PolarHBondContact O-N 3.43Å
553	L	61	Low	65	Low	70 Å²	70	76 Å²	76	37%	0.366	39%	0.386	S	S	.	.	H	α-helix	trans	-64.8	-43.5	176.1	-167.2	108.3	0	0	0	110.9	G549 K550 A556 I557	G549-L553 PolarHBondContact O-N 3.32Å; K550-L553 WeakPolarHBondContact O-CB 3.16Å; K550-L553 PolarHBondContact O-N 3.15Å; K550-L553 VanDerWaalsContact O-N 3.17Å; L553-A556 PolarHBondContact O-N 3.43Å; L553-I557 HydrophobicContact CD2-CD1 4.09Å; L553-I557 HydrophobicContact CG-CD1 4.3Å; L553-I557 WeakPolarHBondContact O-CG1 3.47Å; L553-I557 PolarHBondContact O-N 3.48Å; L553-I557 VanDerWaalsContact O-N 3.11Å
554	E	61	Low	62.5	Low	36 Å²	36	73.6 Å²	73.6	17%	0.168	38%	0.376	C	S	.	.	H	α-helix	trans	-60.2	-49.8	174.8	-173.8	-178	166.2	0	0	111.3	V263 K550 Q551 A556 I557 V558	V263-E554 WeakPolarHBondContact O-CG 3.47Å; K550-E554 PolarHBondContact O-N 2.95Å; Q551-E554 PolarHBondContact O-N 3.2Å; E554-A556 VanDerWaalsContact C-N 3.34Å; E554-A556 PolarHBondContact O-N 3.31Å; E554-I557 PolarHBondContact O-N 2.87Å; E554-V558 HydrophobicContact CG-CG2 4.41Å; E554-V558 WeakPolarHBondContact O-CB 3.36Å; E554-V558 WeakPolarHBondContact O-CG2 3.4Å; E554-V558 PolarHBondContact O-N 2.8Å
555	L	63.9	Low	60	Low	69 Å²	69	77 Å²	77	36%	0.361	39%	0.392	S	S	.	.	H	α-helix	trans	-60.6	-42.1	177.9	-74	170.3	0	0	0	112	Q551 R552 I557 V558 E559	Q551-L555 HydrophobicContact CG-CD1 4.2Å; Q551-L555 WeakPolarHBondContact O-CB 3.43Å; Q551-L555 WeakPolarHBondContact O-CG 3.29Å; Q551-L555 PolarHBondContact O-N 3.46Å; R552-L555 PolarHBondContact O-N 2.96Å; L555-I557 PolarHBondContact O-N 3.35Å; L555-V558 PolarHBondContact O-N 2.91Å; L555-E559 VanDerWaalsContact O-CB 3.3Å; L555-E559 WeakPolarHBondContact O-CB 3.49Å; L555-E559 WeakPolarHBondContact O-CG 3.46Å; L555-E559 PolarHBondContact O-N 2.99Å
556	A	61.4	Low	57.4	Low	55 Å²	55	77.6 Å²	77.6	46%	0.455	39%	0.393	S	S	.	.	H	α-helix	trans	-62	-43.2	178.8	0	0	0	0	0	112.4	R552 L553 E554 V558 A560	R552-A556 VanDerWaalsContact O-CB 3.32Å; R552-A556 WeakPolarHBondContact O-CB 3.45Å; R552-A556 PolarHBondContact O-N 3.43Å; L553-A556 PolarHBondContact O-N 3.43Å; E554-A556 VanDerWaalsContact C-N 3.34Å; E554-A556 PolarHBondContact O-N 3.31Å; A556-V558 VanDerWaalsContact C-N 3.34Å; A556-A560 VanDerWaalsContact O-CB 3.28Å; A556-A560 WeakPolarHBondContact O-CB 3.36Å; A556-A560 PolarHBondContact O-N 2.91Å
557	I	59.2	Low	54.9	Low	43 Å²	43	75 Å²	75	22%	0.221	40%	0.396	C	S	.	.	H	α-helix	trans	-64.1	-43.5	175.3	-65.3	165.1	0	0	0	109.6	H317 L553 E554 L555 G561	H317-I557 PolarHBondContact CE1-O 2.74Å; H317-I557 PolarHBondContact NE2-O 3.37Å; L553-I557 HydrophobicContact CD2-CD1 4.09Å; L553-I557 HydrophobicContact CG-CD1 4.3Å; L553-I557 WeakPolarHBondContact O-CG1 3.47Å; L553-I557 PolarHBondContact O-N 3.48Å; L553-I557 VanDerWaalsContact O-N 3.11Å; E554-I557 PolarHBondContact O-N 2.87Å; L555-I557 PolarHBondContact O-N 3.35Å; I557-G561 PolarHBondContact O-N 2.86Å
558	V	61.2	Low	52.5	Low	26 Å²	26	82.7 Å²	82.7	16%	0.158	43%	0.426	C	S	.	.	H	α-helix	trans	-70.6	-41.1	-176.5	171.5	0	0	0	0	112.8	E554 L555 A556 G561 R562	E554-V558 HydrophobicContact CG-CG2 4.41Å; E554-V558 WeakPolarHBondContact O-CB 3.36Å; E554-V558 WeakPolarHBondContact O-CG2 3.4Å; E554-V558 PolarHBondContact O-N 2.8Å; L555-V558 PolarHBondContact O-N 2.91Å; A556-V558 VanDerWaalsContact C-N 3.34Å; V558-G561 PolarHBondContact O-N 3.17Å; V558-R562 PolarHBondContact O-N 2.65Å
559	E	60.9	Low	51.4	Low	116 Å²	116	84.5 Å²	84.5	54%	0.542	43%	0.431	S	S	.	.	H	α-helix	trans	-71.8	-33.8	178.7	-75.1	-179.6	172	0	0	111.9	L555 G561 R562 L563	L555-E559 VanDerWaalsContact O-CB 3.3Å; L555-E559 WeakPolarHBondContact O-CB 3.49Å; L555-E559 WeakPolarHBondContact O-CG 3.46Å; L555-E559 PolarHBondContact O-N 2.99Å; E559-G561 PolarHBondContact O-N 3.37Å; E559-R562 WeakPolarHBondContact O-CA 3.33Å; E559-R562 WeakPolarHBondContact O-CB 3.3Å; E559-R562 PolarHBondContact O-N 2.87Å; E559-L563 PolarHBondContact O-N 3.03Å
560	A	55	Low	50.5	Low	23 Å²	23	86.7 Å²	86.7	19%	0.19	43%	0.431	C	S	.	.	H	α-helix	trans	-56.5	-41.4	171.1	0	0	0	0	0	111.1	V313 A556 R562	V313-A560 HydrophobicContact CG1-CB 3.93Å; A556-A560 VanDerWaalsContact O-CB 3.28Å; A556-A560 WeakPolarHBondContact O-CB 3.36Å; A556-A560 PolarHBondContact O-N 2.91Å; A560-R562 PolarHBondContact O-N 3.04Å
561	G	50.1	Low	49.7	Very low	4 Å²	4	85 Å²	85	4%	0.041	43%	0.426	C	S	.	.	H	α-helix	trans	-71.4	-11.3	172.8	0	0	0	0	0	116.3	H317 I557 V558 E559 S564	H317-G561 VanDerWaalsContact CD2-CA 3.5Å; H317-G561 WeakPolarHBondContact CD2-CA 3.31Å; H317-G561 PolarHBondContact CD2-N 2.85Å; H317-G561 VanDerWaalsContact ND1-CA 3.26Å; H317-G561 WeakPolarHBondContact ND1-CA 3.19Å; I557-G561 PolarHBondContact O-N 2.86Å; V558-G561 PolarHBondContact O-N 3.17Å; E559-G561 PolarHBondContact O-N 3.37Å; G561-S564 PolarHBondContact O-OG 2.95Å; G561-S564 VanDerWaalsContact O-OG 3.09Å
562	R	50	Low	48.7	Very low	84 Å²	84	85.8 Å²	85.8	32%	0.317	43%	0.432	S	S	.	.	H	α-helix	trans	-88.5	-30.6	178.3	-170.8	178.1	170.4	143.3	3.3	111.7	D331 V558 E559 A560 S564 M565 F566	D331-R562 VanDerWaalsContact CG-NH2 3.26Å; D331-R562 IonicContact OD1-CZ 2.68Å; D331-R562 VanDerWaalsContact OD1-CZ 3.24Å; D331-R562 IonicContact OD1-NH1 2.77Å; D331-R562 PolarHBondContact OD1-NH1 2.84Å; D331-R562 IonicContact OD1-NH2 2.93Å; D331-R562 PolarHBondContact OD1-NH2 3.27Å; D331-R562 IonicContact OD2-CZ 2.89Å; D331-R562 IonicContact OD2-NH1 3.12Å; D331-R562 PolarHBondContact OD2-NH1 2.6Å; D331-R562 VanDerWaalsContact OD2-NH1 3.11Å; D331-R562 IonicContact OD2-NH2 3.91Å; V558-R562 PolarHBondContact O-N 2.65Å; E559-R562 WeakPolarHBondContact O-CA 3.33Å; E559-R562 WeakPolarHBondContact O-CB 3.3Å; E559-R562 PolarHBondContact O-N 2.87Å; A560-R562 PolarHBondContact O-N 3.04Å; R562-S564 VanDerWaalsContact C-N 3.27Å; R562-S564 PolarHBondContact O-N 3.47Å; R562-M565 PolarHBondContact O-N 3.14Å; R562-F566 HydrophobicContact CG-CD2 4.27Å; R562-F566 HydrophobicContact CG-CE2 4.35Å
563	L	35.5	Very low	47.7	Very low	125 Å²	125	79.2 Å²	79.2	65%	0.654	41%	0.414	S	S	*	.	H	α-helix	trans	-67.1	-27.9	178.8	-76.3	161.4	0	0	0	112	E559 V567	E559-L563 PolarHBondContact O-N 3.03Å; L563-V567 WeakPolarHBondContact O-CG2 3.35Å
564	S	32.8	Very low	46.8	Very low	24 Å²	24	79.8 Å²	79.8	17%	0.168	42%	0.417	C	S	.	.	H	α-helix	trans	-69.6	-36	171.3	60.4	0	0	0	0	112.7	D318 D321 G561 R562 F566	D318-S564 WeakPolarHBondContact OD1-CB 3.45Å; D321-S564 PolarHBondContact OD2-OG 3.2Å; G561-S564 PolarHBondContact O-OG 2.95Å; G561-S564 VanDerWaalsContact O-OG 3.09Å; R562-S564 VanDerWaalsContact C-N 3.27Å; R562-S564 PolarHBondContact O-N 3.47Å; S564-F566 PolarHBondContact O-N 3.13Å
565	M	31.6	Very low	45.8	Very low	99 Å²	99	82.9 Å²	82.9	49%	0.488	44%	0.435	S	S	.	.	H	α-helix	trans	-74	-15.7	-176.7	-95.2	-166.1	-75	0	0	115.6	R562	R562-M565 PolarHBondContact O-N 3.14Å
566	F	29.2	Very low	44.4	Very low	152 Å²	152	84 Å²	84	67%	0.667	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	3.7	-179.9	-88.1	-86.1	0	0	0	114.1	R562 S564	R562-F566 HydrophobicContact CG-CD2 4.27Å; R562-F566 HydrophobicContact CG-CE2 4.35Å; S564-F566 PolarHBondContact O-N 3.13Å
567	V	25.4	Very low	43	Very low	126 Å²	126	86.4 Å²	86.4	76%	0.764	44%	0.439	S	S	*	.			trans	-109	8.6	-179.3	-173.8	0	0	0	0	112.7	L563	L563-V567 WeakPolarHBondContact O-CG2 3.35Å
568	M	24.5	Very low	41.5	Very low	215 Å²	215	90.4 Å²	90.4	100%	1.059	46%	0.459	S	S	*	.			trans	-121.7	0	162.8	-82.7	-170.7	-80.6	0	0	110.1

Retrieved 568 of 568 residues in 165.7 ms (Link to these results)

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