A0A087XXU6_POEFO Loading...

Protein kinase C

AlphaFold DB , UniProt , Accession A0A087XXU6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 700 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	37.3	Very low	41	Very low	244 Å²	244	135.2 Å²	135.2	100%	1.202	83%	0.834	S	S	*	*				0	134.5	0	-71.2	178.7	172	0	0	106.7
2	S	32.2	Very low	40.4	Very low	121 Å²	121	132.3 Å²	132.3	85%	0.846	82%	0.823	S	S	*	*			trans	-135	149.3	-144.5	-48.4	0	0	0	0	113.3
3	T	34.5	Very low	41.4	Very low	137 Å²	137	131.1 Å²	131.1	84%	0.84	82%	0.818	S	S	*	*			trans	-107.4	-168.5	174.6	56.3	0	0	0	0	109.8
4	P	63.3	Low	40.6	Very low	114 Å²	114	133 Å²	133	74%	0.74	82%	0.818	S	S	*	*				-123.7	-151.5	-101.5	38.9	-19.4	0	0	0	112.5
5	V	39	Very low	40.1	Very low	140 Å²	140	132.2 Å²	132.2	85%	0.848	81%	0.813	S	S	*	*			trans	126.8	148.5	159.5	176.5	0	0	0	0	114.3
6	S	36.8	Very low	39.6	Very low	104 Å²	104	133.6 Å²	133.6	73%	0.727	81%	0.813	S	S	*	*			trans	-77.9	-179.1	177.2	-41.6	0	0	0	0	112.7
7	P	54.3	Low	39	Very low	125 Å²	125	132.3 Å²	132.3	81%	0.812	81%	0.805	S	S	*	*				-161.4	-153.8	78.1	43.5	-19.8	0	0	0	115.8
8	S	34.4	Very low	38.6	Very low	110 Å²	110	131.1 Å²	131.1	77%	0.769	80%	0.803	S	S	*	*			trans	-117	-154.4	167.7	-39.8	0	0	0	0	109.3
9	P	55.1	Low	39.2	Very low	118 Å²	118	129.9 Å²	129.9	77%	0.766	80%	0.798	S	S	*	*			cis	-140.4	-137.2	9.3	44.9	-22.1	0	0	0	113.9
10	S	30.8	Very low	38.8	Very low	105 Å²	105	130.9 Å²	130.9	73%	0.734	81%	0.805	S	S	*	*			trans	94.5	150.5	158.4	83.9	0	0	0	0	119.6
11	L	33.1	Very low	38.4	Very low	169 Å²	169	130 Å²	130	89%	0.885	80%	0.803	S	S	*	*			cis	-163.2	168.9	-25.2	-113.4	170.7	0	0	0	111.8
12	S	34.4	Very low	38.8	Very low	100 Å²	100	123.5 Å²	123.5	70%	0.699	78%	0.779	S	S	*	*			trans	-92.2	-172.4	174.3	-40	0	0	0	0	112.9
13	P	53.2	Low	38.9	Very low	117 Å²	117	123 Å²	123	76%	0.76	78%	0.776	S	S	*	*				-132.9	-143.3	63.9	18.3	10.2	0	0	0	113
14	L	30.4	Very low	38.7	Very low	158 Å²	158	122.5 Å²	122.5	83%	0.827	78%	0.778	S	S	*	*			cis	-149.3	-174.6	14	-90.4	175.7	0	0	0	112.5
15	T	32	Very low	37.3	Very low	121 Å²	121	124.8 Å²	124.8	74%	0.742	78%	0.783	S	S	*	*			trans	-151.1	158.6	-170.9	45.3	0	0	0	0	114.6
16	L	32.3	Very low	37	Very low	154 Å²	154	126.1 Å²	126.1	81%	0.806	79%	0.785	S	S	*	*			trans	166	129.9	132.1	-109	78.2	0	0	0	118.5
17	T	29.8	Very low	36.9	Very low	112 Å²	112	126.9 Å²	126.9	69%	0.687	79%	0.787	S	S	*	*			trans	34.9	119.7	137.9	58.7	0	0	0	0	128
18	S	31.1	Very low	35.9	Very low	110 Å²	110	126.2 Å²	126.2	77%	0.769	79%	0.786	S	S	*	*				46.9	172.8	122.3	75.9	0	0	0	0	123.9
19	P	50.9	Low	36.2	Very low	109 Å²	109	127.4 Å²	127.4	71%	0.708	79%	0.791	S	S	*	*			cis	-137.4	176.8	-2.6	44	-27.5	0	0	0	116.8
20	T	31.3	Very low	35.4	Very low	150 Å²	150	129.8 Å²	129.8	92%	0.92	80%	0.796	S	S	*	*			trans	176.1	166.8	139.5	23.1	0	0	0	0	114.1
21	S	30.6	Very low	36	Very low	111 Å²	111	129.8 Å²	129.8	78%	0.776	80%	0.796	S	S	*	*			trans	-159.2	175.4	176	67.3	0	0	0	0	109.3
22	P	45.3	Very low	36.4	Very low	108 Å²	108	127.4 Å²	127.4	70%	0.701	79%	0.791	S	S	*	*			cis	-139.3	180	8.3	41.5	-21.5	0	0	0	117.7
23	S	33.8	Very low	36.6	Very low	112 Å²	112	128 Å²	128	78%	0.783	79%	0.792	S	S	*	*			trans	54.7	111.5	146.3	63.9	0	0	0	0	123
24	S	30.5	Very low	36	Very low	125 Å²	125	128.5 Å²	128.5	87%	0.874	80%	0.795	S	S	*	*				-156	157.8	128.7	60.8	0	0	0	0	110.9
25	L	34.6	Very low	36.5	Very low	163 Å²	163	132.8 Å²	132.8	85%	0.853	80%	0.8	S	S	*	*			trans	-103.9	134	175.7	-62.1	157.2	0	0	0	106.8
26	L	32.1	Very low	37	Very low	168 Å²	168	132.8 Å²	132.8	88%	0.88	80%	0.8	S	S	*	*				-166.5	144.9	65	-84	153.6	0	0	0	110
27	P	34.6	Very low	37.4	Very low	120 Å²	120	130.9 Å²	130.9	78%	0.779	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-102.2	133.7	173.2	35.4	-29.5	0	0	0	114
28	S	34.7	Very low	37.9	Very low	111 Å²	111	131.9 Å²	131.9	78%	0.776	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-80.5	156.9	156.4	-75	0	0	0	0	110.2
29	P	39.7	Very low	38.3	Very low	135 Å²	135	135.9 Å²	135.9	88%	0.877	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-71	139.1	-157.9	25.6	-35	0	0	0	115.1
30	L	38.6	Very low	37.6	Very low	168 Å²	168	139 Å²	139	88%	0.88	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-83.6	158.7	174.3	-88	163.5	0	0	0	112.9
31	S	42.3	Very low	37.9	Very low	105 Å²	105	143.2 Å²	143.2	73%	0.734	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-53.7	150.9	173	-50	0	0	0	0	113.5
32	P	42.2	Very low	38.4	Very low	119 Å²	119	147.5 Å²	147.5	77%	0.773	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-65.4	145.9	178.4	27.6	-35.4	0	0	0	112.4
33	P	39	Very low	38.6	Very low	112 Å²	112	146 Å²	146	73%	0.727	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-72.2	158.5	-177.4	29.9	-36	0	0	0	113.1
34	P	40.2	Very low	38.8	Very low	128 Å²	128	145.2 Å²	145.2	83%	0.831	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-62.2	136.7	177.4	26.3	-34.7	0	0	0	111.8	V36	P34-V36 PolarHBondContact O-N 3.34Å
35	R	41.7	Very low	39.3	Very low	247 Å²	247	147 Å²	147	93%	0.932	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-73.7	121.8	-178.3	-67.5	-179.5	177.7	175.9	-0.6	111.1
36	V	42.7	Very low	39.7	Very low	122 Å²	122	148.8 Å²	148.8	74%	0.739	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-62	139.7	167.9	-179.2	0	0	0	0	109.6	P34 V38	P34-V36 PolarHBondContact O-N 3.34Å; V36-V38 PolarHBondContact O-N 2.77Å; V36-V38 VanDerWaalsContact O-N 3.08Å
37	P	39.6	Very low	40.4	Very low	114 Å²	114	149.2 Å²	149.2	74%	0.74	82%	0.817	S	S	*	*			trans	-64.7	109.7	176.9	-20.4	32.7	0	0	0	111.7	F39	P37-F39 PolarHBondContact O-N 3.31Å
38	V	40.4	Very low	41.5	Very low	132 Å²	132	149.5 Å²	149.5	80%	0.8	81%	0.806	S	S	*	*			trans	-74.9	116.8	172.8	177.7	0	0	0	0	108.9	V36 Q40	V36-V38 PolarHBondContact O-N 2.77Å; V36-V38 VanDerWaalsContact O-N 3.08Å; V38-Q40 PolarHBondContact O-N 2.9Å
39	F	39.7	Very low	43.6	Very low	195 Å²	195	154.5 Å²	154.5	86%	0.855	81%	0.808	S	S	*	*			trans	-62	97.2	173.1	-94.2	-94.4	0	0	0	110.9	P37 R41	P37-F39 PolarHBondContact O-N 3.31Å; F39-R41 PolarHBondContact O-N 2.72Å
40	Q	35.6	Very low	45.8	Very low	174 Å²	174	151.6 Å²	151.6	81%	0.813	78%	0.784	S	S	*	*			trans	-76.7	93.5	-179.1	-161.7	179.4	42.9	0	0	110.4	V38 K42	V38-Q40 PolarHBondContact O-N 2.9Å; Q40-K42 PolarHBondContact O-N 3.04Å
41	R	39.3	Very low	48.2	Very low	238 Å²	238	145.3 Å²	145.3	90%	0.898	75%	0.752	S	S	*	*			trans	-63	102.7	173.2	-70.8	-174.9	177.6	-175.9	-0.6	110.4	F39	F39-R41 PolarHBondContact O-N 2.72Å
42	K	40.2	Very low	50.5	Low	201 Å²	201	146.6 Å²	146.6	87%	0.874	75%	0.747	S	S	*	*			trans	-62	144.5	162.4	-71.2	-175.1	175.2	-177.6	0	109.5	Q40	Q40-K42 PolarHBondContact O-N 3.04Å
43	G	50	Low	52.5	Low	76 Å²	76	142.2 Å²	142.2	78%	0.784	72%	0.718	S	S	*	*			trans	101.2	20.5	164.5	0	0	0	0	0	118.5	L45	G43-L45 PolarHBondContact O-N 2.65Å
44	A	36.9	Very low	54.5	Low	96 Å²	96	142.1 Å²	142.1	79%	0.793	71%	0.706	S	S	*	*			trans	-86.8	85.7	170.8	0	0	0	0	0	111.9	K46	A44-K46 PolarHBondContact O-N 2.65Å
45	L	41.7	Very low	56.7	Low	162 Å²	162	139.4 Å²	139.4	85%	0.848	68%	0.684	S	S	*	*			trans	-68.2	100.8	173	-80	169	0	0	0	110.8	G43 H47	G43-L45 PolarHBondContact O-N 2.65Å; L45-H47 PolarHBondContact O-N 3.04Å
46	K	43.4	Very low	59	Low	201 Å²	201	127.7 Å²	127.7	87%	0.874	64%	0.64	S	S	*	*			trans	-69.7	100.4	173.4	-168.9	173.5	-173.5	175.1	0	109.2	A44 K48	A44-K46 PolarHBondContact O-N 2.65Å; K46-K48 PolarHBondContact O-N 3.01Å
47	H	46.5	Very low	61.4	Low	177 Å²	177	125.2 Å²	125.2	82%	0.819	62%	0.62	S	S	*	*			trans	-49.7	132.3	178.4	-84.7	75.2	0	0	0	110.9	L45 R49	L45-H47 PolarHBondContact O-N 3.04Å; H47-R49 PolarHBondContact O-N 2.83Å
48	K	58.4	Low	63.9	Low	126 Å²	126	119.8 Å²	119.8	55%	0.548	59%	0.585	S	S	.	*			trans	-66.2	126.5	173.6	-65.2	175	-176.7	172.8	0	107	K46 I50 T59	K46-K48 PolarHBondContact O-N 3.01Å; K48-I50 PolarHBondContact O-N 3.43Å; K48-T59 HydrophobicContact CB-CG2 4.13Å
49	R	77.1	Confident	66.3	Low	217 Å²	217	113.5 Å²	113.5	82%	0.819	55%	0.547	S	S	*	.			trans	-62	112	171.7	-177.6	177.7	178.4	-174.3	-1.9	108.1	H47	H47-R49 PolarHBondContact O-N 2.83Å
50	I	86.7	Confident	68.5	Low	73 Å²	73	105.3 Å²	105.3	37%	0.374	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	146.5	168.7	-52.8	178.9	0	0	0	107.4	K48 E52 Q57 F58 T59	K48-I50 PolarHBondContact O-N 3.43Å; I50-E52 HydrophobicContact CG2-CG 4.04Å; I50-Q57 HydrophobicContact CG2-CB 3.8Å; I50-Q57 HydrophobicContact CG2-CG 4.21Å; I50-F58 CarbonylContact C-O 3.59Å; I50-F58 WeakPolarHBondContact CA-O 3.34Å; I50-T59 HydrophobicContact CB-CG2 4.33Å; I50-T59 HydrophobicContact CG1-CG2 3.78Å
51	V	88.8	Confident	70.7	Confident	37 Å²	37	99.8 Å²	99.8	22%	0.224	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	129.4	164.5	-170.7	0	0	0	0	106.8	V53 F58 F84	V51-V53 HydrophobicContact CG1-CG2 4.43Å; V51-F58 PolarHBondContact N-O 3.18Å; V51-F58 WeakPolarHBondContact O-CB 3.46Å; V51-F58 PolarHBondContact O-N 2.85Å; V51-F84 HydrophobicContact CG2-CE1 4.13Å; V51-F84 HydrophobicContact CG2-CZ 4.09Å
52	E	90.3	Very high	72.5	Confident	132 Å²	132	94.3 Å²	94.3	62%	0.617	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.8	122.2	-177.6	-66	-174.4	147.3	0	0	110	I50 H56 Q57	I50-E52 HydrophobicContact CG2-CG 4.04Å; E52-H56 WeakPolarHBondContact CA-O 3.34Å; E52-Q57 HydrophobicContact CG-CG 4.22Å; E52-Q57 PolarHBondContact OE1-NE2 3.46Å
53	V	83.8	Confident	74.1	Confident	26 Å²	26	85.8 Å²	85.8	16%	0.158	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	122.2	175.7	-177	0	0	0	0	107.7	V51 D55 H56 F58 H98	V51-V53 HydrophobicContact CG1-CG2 4.43Å; V53-D55 PolarHBondContact O-N 2.93Å; V53-H56 PolarHBondContact N-O 3.12Å; V53-H56 VanDerWaalsContact O-CB 3.27Å; V53-H56 WeakPolarHBondContact O-CB 3.09Å; V53-H56 PolarHBondContact O-N 3.26Å; V53-F58 HydrophobicContact CB-CD2 4.38Å; V53-F58 HydrophobicContact CB-CE2 4.24Å; V53-H98 WeakPolarHBondContact CG1-O 3.33Å
54	K	81.5	Confident	74.5	Confident	110 Å²	110	89.3 Å²	89.3	48%	0.478	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.7	45.9	-176.5	-55.8	-67.8	-168	169.7	0	112.9	H56 V101 F103 T104 C105	K54-H56 PolarHBondContact O-CD2 3.3Å; K54-H56 PolarHBondContact O-N 2.87Å; K54-H56 VanDerWaalsContact O-N 3.07Å; K54-V101 VanDerWaalsContact CG-O 3.26Å; K54-V101 WeakPolarHBondContact CG-O 3.38Å; K54-F103 WeakPolarHBondContact CB-O 3.45Å; K54-T104 WeakPolarHBondContact O-CA 3.44Å; K54-C105 PolarHBondContact O-N 3.16Å
55	D	87.8	Confident	75.8	Confident	72 Å²	72	86.1 Å²	86.1	39%	0.385	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	7.7	-177.1	-45.5	-31.7	0	0	0	115.5	V53 Q57 T104 C105 T110	V53-D55 PolarHBondContact O-N 2.93Å; D55-Q57 PolarHBondContact O-N 3.36Å; D55-T104 HydrophobicContact CB-CG2 4.25Å; D55-T104 WeakPolarHBondContact OD2-CG2 3.41Å; D55-C105 VanDerWaalsContact C-CB 3.49Å; D55-C105 HydrophobicContact CB-CB 4.3Å; D55-C105 WeakPolarHBondContact O-CB 3.27Å; D55-T110 WeakPolarHBondContact OD2-CB 3.36Å; D55-T110 PolarHBondContact OD2-OG1 2.81Å
56	H	88.6	Confident	77.1	Confident	0 Å²	0	82.1 Å²	82.1	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	116.4	166.7	-71	-106.1	0	0	0	110.2	E52 V53 K54 F58 C86 C89 F91 F103 C105	E52-H56 WeakPolarHBondContact CA-O 3.34Å; V53-H56 PolarHBondContact N-O 3.12Å; V53-H56 VanDerWaalsContact O-CB 3.27Å; V53-H56 WeakPolarHBondContact O-CB 3.09Å; V53-H56 PolarHBondContact O-N 3.26Å; K54-H56 PolarHBondContact O-CD2 3.3Å; K54-H56 PolarHBondContact O-N 2.87Å; K54-H56 VanDerWaalsContact O-N 3.07Å; H56-F58 HydrophobicContact CB-CD2 3.79Å; H56-F58 HydrophobicContact CB-CE1 4.34Å; H56-F58 HydrophobicContact CB-CE2 3.35Å; H56-F58 HydrophobicContact CB-CG 4.46Å; H56-F58 HydrophobicContact CB-CZ 3.65Å; H56-F58 AromaticContact CG-CE2 3.98Å; H56-F58 AromaticContact CG-CZ 3.88Å; H56-F58 AromaticContact ND1-CZ 3.92Å; H56-F58 PolarHBondContact O-N 2.87Å; H56-F58 VanDerWaalsContact O-N 3.08Å; H56-C86 HydrophobicContact CB-CB 4.23Å; H56-C89 VanDerWaalsContact CE1-SG 3.52Å; H56-C89 PolarHBondContact ND1-SG 2.93Å; H56-C89 VanDerWaalsContact ND1-SG 3.38Å; H56-F91 AromaticContact CE1-CD1 3.99Å; H56-F103 AromaticContact CE1-CE2 3.55Å; H56-F103 AromaticContact NE2-CD2 3.7Å; H56-F103 AromaticContact NE2-CE2 3.33Å; H56-F103 VanDerWaalsContact NE2-CE2 3.33Å; H56-F103 WeakPolarHBondContact NE2-CE2 3.48Å; H56-C105 HydrophobicContact CB-CB 4.36Å; H56-C105 WeakPolarHBondContact NE2-CA 3.35Å
57	Q	92.7	Very high	78.7	Confident	70 Å²	70	72.6 Å²	72.6	33%	0.327	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	81	172	-68	179.4	-3.7	0	0	111.2	I50 E52 D55 C86 Q87 V88	I50-Q57 HydrophobicContact CG2-CB 3.8Å; I50-Q57 HydrophobicContact CG2-CG 4.21Å; E52-Q57 HydrophobicContact CG-CG 4.22Å; E52-Q57 PolarHBondContact OE1-NE2 3.46Å; D55-Q57 PolarHBondContact O-N 3.36Å; Q57-C86 PolarHBondContact N-SG 3.38Å; Q57-C86 CarbonylContact O-C 3.6Å; Q57-C86 WeakPolarHBondContact O-CA 3.43Å; Q57-Q87 HydrophobicContact CB-CB 4.41Å; Q57-Q87 PolarHBondContact O-N 3.09Å; Q57-V88 HydrophobicContact CB-CG2 4.32Å; Q57-V88 HydrophobicContact CG-CG2 4.41Å
58	F	93.7	Very high	80.2	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	132.7	179.5	-72.6	-66.4	0	0	0	112.2	I50 V51 V53 H56 F84 C86 F91 V93 H98 V101	I50-F58 CarbonylContact C-O 3.59Å; I50-F58 WeakPolarHBondContact CA-O 3.34Å; V51-F58 PolarHBondContact N-O 3.18Å; V51-F58 WeakPolarHBondContact O-CB 3.46Å; V51-F58 PolarHBondContact O-N 2.85Å; V53-F58 HydrophobicContact CB-CD2 4.38Å; V53-F58 HydrophobicContact CB-CE2 4.24Å; H56-F58 HydrophobicContact CB-CD2 3.79Å; H56-F58 HydrophobicContact CB-CE1 4.34Å; H56-F58 HydrophobicContact CB-CE2 3.35Å; H56-F58 HydrophobicContact CB-CG 4.46Å; H56-F58 HydrophobicContact CB-CZ 3.65Å; H56-F58 AromaticContact CG-CE2 3.98Å; H56-F58 AromaticContact CG-CZ 3.88Å; H56-F58 AromaticContact ND1-CZ 3.92Å; H56-F58 PolarHBondContact O-N 2.87Å; H56-F58 VanDerWaalsContact O-N 3.08Å; F58-F84 HydrophobicContact CB-CB 4.06Å; F58-F84 HydrophobicContact CB-CD1 4Å; F58-F84 HydrophobicContact CB-CG 4.14Å; F58-F84 HydrophobicContact CD1-CB 3.87Å; F58-F84 HydrophobicContact CG-CB 4.21Å; F58-C86 HydrophobicContact CD1-CB 4.02Å; F58-C86 HydrophobicContact CE1-CB 3.88Å; F58-F91 HydrophobicContact CE1-CD1 4.25Å; F58-F91 HydrophobicContact CZ-CD1 4.1Å; F58-V93 HydrophobicContact CD1-CG2 4.16Å; F58-V93 HydrophobicContact CE1-CG2 3.65Å; F58-V93 HydrophobicContact CZ-CG2 4Å; F58-H98 HydrophobicContact CD2-CB 4.18Å; F58-H98 HydrophobicContact CE2-CB 4.24Å; F58-H98 HydrophobicContact CG-CB 4.48Å; F58-V101 HydrophobicContact CE2-CG2 4.31Å; F58-V101 HydrophobicContact CZ-CG2 4.06Å
59	T	90.1	Very high	81	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	136	168.3	47.4	0	0	0	0	111.8	K48 I50 R61 Q85 Q87	K48-T59 HydrophobicContact CB-CG2 4.13Å; I50-T59 HydrophobicContact CB-CG2 4.33Å; I50-T59 HydrophobicContact CG1-CG2 3.78Å; T59-R61 PolarHBondContact O-N 3.47Å; T59-R61 PolarHBondContact OG1-NH1 3.41Å; T59-Q85 PolarHBondContact N-O 3.16Å; T59-Q85 PolarHBondContact O-N 3.03Å; T59-Q85 VanDerWaalsContact O-N 3.14Å; T59-Q87 HydrophobicContact CG2-CG 4.1Å; T59-Q87 WeakPolarHBondContact OG1-CG 3.09Å
60	A	85.6	Confident	81.3	Confident	24 Å²	24	52 Å²	52	20%	0.198	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	126.2	-176.9	0	0	0	0	0	110.8	K81 G83 F84	A60-K81 HydrophobicContact CB-CB 4.49Å; A60-K81 HydrophobicContact CB-CD 3.81Å; A60-K81 WeakPolarHBondContact O-CD 3.4Å; A60-K81 WeakPolarHBondContact O-CE 3.39Å; A60-K81 PolarHBondContact O-NZ 3.03Å; A60-G83 WeakPolarHBondContact CA-O 3.44Å; A60-F84 HydrophobicContact CB-CD1 4.07Å; A60-F84 HydrophobicContact CB-CE1 3.89Å
61	R	81.6	Confident	80.7	Confident	58 Å²	58	51.9 Å²	51.9	22%	0.219	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	156.7	-177	-79.1	-67.9	-175.9	-77.4	-5.1	111.6	T59 F63 K81 Q82 G83 Q85	T59-R61 PolarHBondContact O-N 3.47Å; T59-R61 PolarHBondContact OG1-NH1 3.41Å; R61-F63 HydrophobicContact CB-CD2 4.35Å; R61-F63 HydrophobicContact CB-CE1 4.12Å; R61-F63 HydrophobicContact CB-CE2 3.82Å; R61-F63 HydrophobicContact CB-CZ 3.69Å; R61-F63 HydrophobicContact CG-CZ 4.34Å; R61-K81 CarbonylContact O-C 3.59Å; R61-K81 VanDerWaalsContact O-C 3.3Å; R61-K81 WeakPolarHBondContact O-CA 3.43Å; R61-K81 WeakPolarHBondContact O-CB 3.48Å; R61-Q82 PolarHBondContact O-N 2.86Å; R61-G83 PolarHBondContact N-O 3.4Å; R61-Q85 HydrophobicContact CG-CB 3.63Å
62	F	76.6	Confident	79.3	Confident	123 Å²	123	50.9 Å²	50.9	54%	0.539	25%	0.247	S	C	.	.			trans	-100.7	126.9	157.8	-174.9	-86.6	0	0	0	106.2	K64 G80	F62-K64 HydrophobicContact CD1-CG 4.15Å; F62-K64 HydrophobicContact CE1-CG 4.22Å; F62-G80 VanDerWaalsContact CD2-O 3.26Å; F62-G80 WeakPolarHBondContact CD2-O 3.29Å
63	F	74.3	Confident	78	Confident	21 Å²	21	47.5 Å²	47.5	9%	0.092	24%	0.236	C	C	.	.			trans	-100.1	119.5	175	-59.7	-82.5	0	0	0	107.3	R61 T67 I76 Q82 Q85 V92	R61-F63 HydrophobicContact CB-CD2 4.35Å; R61-F63 HydrophobicContact CB-CE1 4.12Å; R61-F63 HydrophobicContact CB-CE2 3.82Å; R61-F63 HydrophobicContact CB-CZ 3.69Å; R61-F63 HydrophobicContact CG-CZ 4.34Å; F63-T67 HydrophobicContact CD1-CG2 3.87Å; F63-T67 HydrophobicContact CE1-CG2 4.16Å; F63-T67 HydrophobicContact CG-CG2 4.25Å; F63-I76 HydrophobicContact CD2-CG2 4.3Å; F63-I76 HydrophobicContact CE2-CG2 4.39Å; F63-Q82 PolarHBondContact O-NE2 3.49Å; F63-Q85 HydrophobicContact CZ-CB 4.34Å; F63-V92 HydrophobicContact CE1-CG1 3.87Å; F63-V92 HydrophobicContact CE1-CG2 3.84Å; F63-V92 HydrophobicContact CE2-CG1 4.36Å; F63-V92 HydrophobicContact CZ-CB 4.48Å; F63-V92 HydrophobicContact CZ-CG1 3.61Å; F63-V92 HydrophobicContact CZ-CG2 4.02Å
64	K	57.8	Low	76.7	Confident	151 Å²	151	48.7 Å²	48.7	66%	0.657	24%	0.241	S	C	*	.	S	Bend	trans	-78	-39.3	-178.4	-63.3	177.3	-179.4	173.9	0	111.6	F62 E573	F62-K64 HydrophobicContact CD1-CG 4.15Å; F62-K64 HydrophobicContact CE1-CG 4.22Å; K64-E573 IonicContact NZ-OE1 2.84Å; K64-E573 PolarHBondContact NZ-OE1 3.01Å; K64-E573 IonicContact NZ-OE2 3.8Å; K64-E573 PolarHBondContact NZ-OE2 3.01Å
65	Q	64	Low	76	Confident	28 Å²	28	47.6 Å²	47.6	13%	0.131	24%	0.237	C	C	.	.	S	Bend	trans	-90.5	163.4	178.3	61.5	-179.9	-125.4	0	0	111.7	T67 S139 Y142	Q65-T67 PolarHBondContact O-N 3.02Å; Q65-T67 PolarHBondContact O-OG1 2.9Å; Q65-S139 PolarHBondContact OE1-OG 2.95Å; Q65-Y142 PolarHBondContact NE2-OH 2.99Å
66	P	70.7	Confident	75.2	Confident	78 Å²	78	44.3 Å²	44.3	51%	0.506	22%	0.219	S	C	.	.			trans	-52.7	127	165	-26.6	36.6	0	0	0	111.4	F75 F133	P66-F75 HydrophobicContact CB-CE2 3.75Å; P66-F75 HydrophobicContact CB-CZ 4.27Å; P66-F133 HydrophobicContact CB-CE1 4.39Å
67	T	76	Confident	74	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.006	26%	0.255	C	S	.	.			trans	-142.9	132	-177.3	-57.2	0	0	0	0	110.2	F63 Q65 I76 V92 G138	F63-T67 HydrophobicContact CD1-CG2 3.87Å; F63-T67 HydrophobicContact CE1-CG2 4.16Å; F63-T67 HydrophobicContact CG-CG2 4.25Å; Q65-T67 PolarHBondContact O-N 3.02Å; Q65-T67 PolarHBondContact O-OG1 2.9Å; T67-I76 HydrophobicContact CG2-CD1 4.38Å; T67-I76 WeakPolarHBondContact O-CB 3.48Å; T67-I76 PolarHBondContact O-N 3.25Å; T67-V92 HydrophobicContact CG2-CG1 3.76Å; T67-G138 WeakPolarHBondContact CA-O 3.37Å
68	F	78.1	Confident	72.3	Confident	65 Å²	65	52.3 Å²	52.3	29%	0.285	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-99.9	158.3	179.8	-68.4	-90.4	0	0	0	112.4	T73 F75 F133 G138	F68-T73 VanDerWaalsContact CD1-O 3.27Å; F68-T73 WeakPolarHBondContact CD1-O 3.45Å; F68-F75 HydrophobicContact CD1-CB 4.17Å; F68-F75 HydrophobicContact CD1-CD2 4.29Å; F68-F75 HydrophobicContact CE1-CB 3.93Å; F68-F75 AromaticContact CE1-CD2 3.99Å; F68-F75 HydrophobicContact CE1-CD2 3.99Å; F68-F75 HydrophobicContact CE1-CG 4.44Å; F68-F75 HydrophobicContact CE2-CD2 4.26Å; F68-F75 AromaticContact CZ-CD2 3.97Å; F68-F75 HydrophobicContact CZ-CD2 3.97Å; F68-F133 HydrophobicContact CD2-CB 4.2Å; F68-F133 AromaticContact CD2-CD1 3.63Å; F68-F133 HydrophobicContact CD2-CD1 3.63Å; F68-F133 HydrophobicContact CD2-CD2 4.01Å; F68-F133 AromaticContact CD2-CE1 3.98Å; F68-F133 HydrophobicContact CD2-CE1 3.98Å; F68-F133 HydrophobicContact CD2-CE2 4.35Å; F68-F133 AromaticContact CD2-CG 3.65Å; F68-F133 HydrophobicContact CD2-CG 3.65Å; F68-F133 HydrophobicContact CD2-CZ 4.34Å; F68-F133 AromaticContact CE2-CD1 3.87Å; F68-F133 HydrophobicContact CE2-CD1 3.87Å; F68-F133 AromaticContact CE2-CD2 3.77Å; F68-F133 HydrophobicContact CE2-CD2 3.77Å; F68-F133 AromaticContact CE2-CE1 3.78Å; F68-F133 HydrophobicContact CE2-CE1 3.78Å; F68-F133 AromaticContact CE2-CE2 3.7Å; F68-F133 HydrophobicContact CE2-CE2 3.7Å; F68-F133 AromaticContact CE2-CG 3.87Å; F68-F133 HydrophobicContact CE2-CG 3.87Å; F68-F133 AromaticContact CE2-CZ 3.71Å; F68-F133 HydrophobicContact CE2-CZ 3.71Å; F68-G138 PolarHBondContact N-O 3.38Å; F68-G138 WeakPolarHBondContact O-CA 3.39Å
69	C	76.3	Confident	70.1	Confident	1 Å²	1	61 Å²	61	1%	0.007	30%	0.303	C	S	.	.			trans	-82.5	116.1	178	-179.7	0	0	0	0	110.9	H71 C72 T73 D74 I76 H94	C69-H71 PolarHBondContact O-N 3.34Å; C69-C72 PolarHBondContact O-N 3.16Å; C69-T73 WeakPolarHBondContact O-CA 3.48Å; C69-T73 PolarHBondContact O-N 2.93Å; C69-D74 WeakPolarHBondContact CB-O 3.36Å; C69-D74 PolarHBondContact N-O 3.44Å; C69-I76 HydrophobicContact CB-CD1 4.21Å; C69-I76 HydrophobicContact CB-CG1 4.02Å; C69-H94 WeakPolarHBondContact CB-CE1 3.31Å; C69-H94 VanDerWaalsContact CB-ND1 3.26Å; C69-H94 WeakPolarHBondContact CB-ND1 3.49Å; C69-H94 PolarHBondContact SG-N 2.82Å; C69-H94 VanDerWaalsContact SG-N 3.41Å; C69-H94 PolarHBondContact SG-ND1 3.38Å
70	S	81.6	Confident	69	Low	22 Å²	22	62.8 Å²	62.8	15%	0.154	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	8.7	177.4	-63.8	0	0	0	0	115	F91 V92 D135 H136 C137 G138	S70-F91 WeakPolarHBondContact O-CZ 3.32Å; S70-V92 VanDerWaalsContact CB-O 3.22Å; S70-V92 WeakPolarHBondContact CB-O 3.17Å; S70-V92 PolarHBondContact N-O 3.13Å; S70-V92 PolarHBondContact OG-O 2.91Å; S70-D135 WeakPolarHBondContact CA-O 3.46Å; S70-D135 WeakPolarHBondContact CB-O 3.28Å; S70-D135 PolarHBondContact OG-O 3.45Å; S70-H136 PolarHBondContact OG-O 2.74Å; S70-H136 VanDerWaalsContact OG-O 3.12Å; S70-C137 PolarHBondContact OG-N 2.7Å; S70-G138 PolarHBondContact OG-N 2.83Å
71	H	74.5	Confident	68.3	Low	71 Å²	71	66.6 Å²	66.6	33%	0.329	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	-55.9	172.3	175.2	77.4	0	0	0	112.1	C69 V93 C97 F100	C69-H71 PolarHBondContact O-N 3.34Å; H71-V93 HydrophobicContact CB-CG1 3.88Å; H71-C97 HydrophobicContact CB-CB 4.09Å; H71-F100 PolarHBondContact CE1-O 2.83Å; H71-F100 VanDerWaalsContact CE1-O 3.31Å
72	C	59.5	Low	68	Low	16 Å²	16	65.2 Å²	65.2	11%	0.108	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-0	-177.8	73.4	0	0	0	0	114.6	C69 D74 H94	C69-C72 PolarHBondContact O-N 3.16Å; C72-D74 PolarHBondContact O-N 2.74Å; C72-D74 PolarHBondContact SG-OD2 3.43Å; C72-H94 PolarHBondContact SG-CE1 3.25Å; C72-H94 PolarHBondContact SG-ND1 2.99Å; C72-H94 VanDerWaalsContact SG-ND1 3.41Å
73	T	63.4	Low	68.4	Low	61 Å²	61	59.3 Å²	59.3	37%	0.374	30%	0.304	S	S	.	.			trans	60.5	-3.3	-175.7	62.4	0	0	0	0	116.9	F68 C69	F68-T73 VanDerWaalsContact CD1-O 3.27Å; F68-T73 WeakPolarHBondContact CD1-O 3.45Å; C69-T73 WeakPolarHBondContact O-CA 3.48Å; C69-T73 PolarHBondContact O-N 2.93Å
74	D	56.9	Low	69.2	Low	51 Å²	51	59.4 Å²	59.4	27%	0.273	30%	0.304	S	S	.	.			trans	-77.3	159.9	175.5	-40.3	-55.5	0	0	0	112.6	C69 C72 H94 R96 R178	C69-D74 WeakPolarHBondContact CB-O 3.36Å; C69-D74 PolarHBondContact N-O 3.44Å; C72-D74 PolarHBondContact O-N 2.74Å; C72-D74 PolarHBondContact SG-OD2 3.43Å; D74-H94 PolarHBondContact O-CE1 2.88Å; D74-R96 IonicContact OD2-NH2 3.84Å; D74-R178 IonicContact OD1-CZ 2.79Å; D74-R178 IonicContact OD1-NH2 3.77Å; D74-R178 PolarHBondContact OD1-NH2 3.06Å
75	F	67.1	Low	70.9	Confident	86 Å²	86	54.4 Å²	54.4	38%	0.377	28%	0.283	S	S	.	.	B	Isolated β-bridge	trans	-66.1	138.8	-177.5	-170.9	-120.6	0	0	0	113.9	P66 F68 W77 H94	P66-F75 HydrophobicContact CB-CE2 3.75Å; P66-F75 HydrophobicContact CB-CZ 4.27Å; F68-F75 HydrophobicContact CD1-CB 4.17Å; F68-F75 HydrophobicContact CD1-CD2 4.29Å; F68-F75 HydrophobicContact CE1-CB 3.93Å; F68-F75 AromaticContact CE1-CD2 3.99Å; F68-F75 HydrophobicContact CE1-CD2 3.99Å; F68-F75 HydrophobicContact CE1-CG 4.44Å; F68-F75 HydrophobicContact CE2-CD2 4.26Å; F68-F75 AromaticContact CZ-CD2 3.97Å; F68-F75 HydrophobicContact CZ-CD2 3.97Å; F75-W77 HydrophobicContact CD1-CB 3.81Å; F75-W77 HydrophobicContact CD1-CG 4.25Å; F75-W77 HydrophobicContact CE1-CB 3.86Å; F75-H94 PolarHBondContact O-NE2 3.01Å
76	I	69.2	Low	72.3	Confident	4 Å²	4	53.1 Å²	53.1	2%	0.021	28%	0.278	C	S	.	.			trans	-94.8	97.6	178.8	-51.6	-176.9	0	0	0	110.8	F63 T67 C69 Q82 V92	F63-I76 HydrophobicContact CD2-CG2 4.3Å; F63-I76 HydrophobicContact CE2-CG2 4.39Å; T67-I76 HydrophobicContact CG2-CD1 4.38Å; T67-I76 WeakPolarHBondContact O-CB 3.48Å; T67-I76 PolarHBondContact O-N 3.25Å; C69-I76 HydrophobicContact CB-CD1 4.21Å; C69-I76 HydrophobicContact CB-CG1 4.02Å; I76-Q82 HydrophobicContact CG2-CB 3.65Å; I76-V92 HydrophobicContact CD1-CG1 3.41Å; I76-V92 VanDerWaalsContact CD1-CG1 3.41Å
77	W	65	Low	73.2	Confident	198 Å²	198	53.8 Å²	53.8	75%	0.75	27%	0.274	S	S	*	.			trans	-123.2	170.1	-179.6	65.3	-81.1	0	0	0	113.2	F75	F75-W77 HydrophobicContact CD1-CB 3.81Å; F75-W77 HydrophobicContact CD1-CG 4.25Å; F75-W77 HydrophobicContact CE1-CB 3.86Å
78	G	56	Low	73.8	Confident	39 Å²	39	56.7 Å²	56.7	40%	0.402	29%	0.291	S	S	.	.			trans	138.3	168.3	176.4	0	0	0	0	0	113.7	Q82	G78-Q82 WeakPolarHBondContact O-CG 3.49Å
79	I	47.3	Very low	74.1	Confident	183 Å²	183	53.6 Å²	53.6	94%	0.938	28%	0.278	S	S	*	.	S	Bend	trans	-79.4	127.3	-178.8	-60.2	172.6	0	0	0	110.3
80	G	66.7	Low	74.8	Confident	38 Å²	38	56.2 Å²	56.2	39%	0.392	30%	0.296	S	S	.	.	S	Bend	trans	74.9	-147	-175.7	0	0	0	0	0	112.1	F62 Q82	F62-G80 VanDerWaalsContact CD2-O 3.26Å; F62-G80 WeakPolarHBondContact CD2-O 3.29Å; G80-Q82 PolarHBondContact O-N 3.27Å; G80-Q82 PolarHBondContact O-OE1 3.13Å
81	K	71.9	Confident	75.3	Confident	103 Å²	103	55.6 Å²	55.6	45%	0.448	29%	0.291	S	S	.	.			trans	-60.8	108.1	-178.3	-70.3	-175.7	169.6	-155.9	0	110.8	A60 R61 K95	A60-K81 HydrophobicContact CB-CB 4.49Å; A60-K81 HydrophobicContact CB-CD 3.81Å; A60-K81 WeakPolarHBondContact O-CD 3.4Å; A60-K81 WeakPolarHBondContact O-CE 3.39Å; A60-K81 PolarHBondContact O-NZ 3.03Å; R61-K81 CarbonylContact O-C 3.59Å; R61-K81 VanDerWaalsContact O-C 3.3Å; R61-K81 WeakPolarHBondContact O-CA 3.43Å; R61-K81 WeakPolarHBondContact O-CB 3.48Å; K81-K95 WeakPolarHBondContact O-CE 3.25Å; K81-K95 PolarHBondContact O-NZ 2.77Å
82	Q	74.8	Confident	76	Confident	29 Å²	29	52.2 Å²	52.2	14%	0.136	28%	0.275	C	S	.	.			trans	-76.3	-43.5	-171	-49.7	96.1	-38.2	0	0	112.7	R61 F63 I76 G78 G80 K95	R61-Q82 PolarHBondContact O-N 2.86Å; F63-Q82 PolarHBondContact O-NE2 3.49Å; I76-Q82 HydrophobicContact CG2-CB 3.65Å; G78-Q82 WeakPolarHBondContact O-CG 3.49Å; G80-Q82 PolarHBondContact O-N 3.27Å; G80-Q82 PolarHBondContact O-OE1 3.13Å; Q82-K95 WeakPolarHBondContact O-CE 3.13Å
83	G	85.6	Confident	77.2	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	-166.6	-173.1	0	0	0	0	0	115.7	A60 R61	A60-G83 WeakPolarHBondContact CA-O 3.44Å; R61-G83 PolarHBondContact N-O 3.4Å
84	F	91.5	Very high	77.8	Confident	23 Å²	23	49.4 Å²	49.4	10%	0.101	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	145.3	176.5	-77.1	-64.6	0	0	0	111.2	V51 F58 A60 V92 V93 K95 H98	V51-F84 HydrophobicContact CG2-CE1 4.13Å; V51-F84 HydrophobicContact CG2-CZ 4.09Å; F58-F84 HydrophobicContact CB-CB 4.06Å; F58-F84 HydrophobicContact CB-CD1 4Å; F58-F84 HydrophobicContact CB-CG 4.14Å; F58-F84 HydrophobicContact CD1-CB 3.87Å; F58-F84 HydrophobicContact CG-CB 4.21Å; A60-F84 HydrophobicContact CB-CD1 4.07Å; A60-F84 HydrophobicContact CB-CE1 3.89Å; F84-V92 WeakPolarHBondContact O-CA 3.48Å; F84-V93 HydrophobicContact CB-CG2 4.08Å; F84-V93 PolarHBondContact N-O 2.85Å; F84-V93 PolarHBondContact O-N 3.43Å; F84-K95 HydrophobicContact CD2-CB 4.36Å; F84-K95 HydrophobicContact CD2-CG 4.19Å; F84-K95 HydrophobicContact CE2-CB 4.11Å; F84-K95 HydrophobicContact CE2-CG 4.02Å; F84-H98 HydrophobicContact CD2-CB 3.77Å; F84-H98 AromaticContact CD2-CD2 3.6Å; F84-H98 AromaticContact CD2-CG 3.51Å; F84-H98 AromaticContact CD2-ND1 3.95Å; F84-H98 HydrophobicContact CE2-CB 4.4Å; F84-H98 AromaticContact CE2-CD2 3.46Å; F84-H98 VanDerWaalsContact CE2-CD2 3.46Å; F84-H98 WeakPolarHBondContact CE2-CD2 3.18Å; F84-H98 AromaticContact CE2-CE1 3.63Å; F84-H98 AromaticContact CE2-CG 3.64Å; F84-H98 AromaticContact CE2-ND1 3.72Å; F84-H98 AromaticContact CE2-NE2 3.42Å; F84-H98 WeakPolarHBondContact CE2-NE2 3.36Å; F84-H98 HydrophobicContact CG-CB 4.47Å; F84-H98 AromaticContact CZ-NE2 3.86Å
85	Q	92.9	Very high	79	Confident	46 Å²	46	51.9 Å²	51.9	22%	0.215	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	132.1	169.4	-176.8	-178.2	44.6	0	0	109	T59 R61 F63 F91 V92	T59-Q85 PolarHBondContact N-O 3.16Å; T59-Q85 PolarHBondContact O-N 3.03Å; T59-Q85 VanDerWaalsContact O-N 3.14Å; R61-Q85 HydrophobicContact CG-CB 3.63Å; F63-Q85 HydrophobicContact CZ-CB 4.34Å; Q85-F91 CarbonylContact C-O 3.47Å; Q85-F91 WeakPolarHBondContact CA-O 3.35Å; Q85-V92 HydrophobicContact CB-CG2 4.02Å; Q85-V92 HydrophobicContact CG-CG2 3.78Å
86	C	92.7	Very high	79.4	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.007	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	129.5	172.5	-176.7	0	0	0	0	110	H56 Q57 F58 V88 S90 F91	H56-C86 HydrophobicContact CB-CB 4.23Å; Q57-C86 PolarHBondContact N-SG 3.38Å; Q57-C86 CarbonylContact O-C 3.6Å; Q57-C86 WeakPolarHBondContact O-CA 3.43Å; F58-C86 HydrophobicContact CD1-CB 4.02Å; F58-C86 HydrophobicContact CE1-CB 3.88Å; C86-V88 PolarHBondContact O-N 3.1Å; C86-S90 VanDerWaalsContact O-CA 3.29Å; C86-S90 WeakPolarHBondContact O-CA 3.37Å; C86-S90 PolarHBondContact O-N 2.57Å; C86-S90 VanDerWaalsContact O-N 3.16Å; C86-F91 HydrophobicContact CB-CB 4.28Å; C86-F91 PolarHBondContact N-O 3.32Å
87	Q	89.8	Confident	79.5	Confident	91 Å²	91	53.8 Å²	53.8	43%	0.425	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-14.9	179.8	-67.4	-163.4	-119.4	0	0	114.4	Q57 T59	Q57-Q87 HydrophobicContact CB-CB 4.41Å; Q57-Q87 PolarHBondContact O-N 3.09Å; T59-Q87 HydrophobicContact CG2-CG 4.1Å; T59-Q87 WeakPolarHBondContact OG1-CG 3.09Å
88	V	88.1	Confident	80.1	Confident	62 Å²	62	44.8 Å²	44.8	38%	0.376	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-52.1	-172.2	-178.8	0	0	0	0	111.5	Q57 C86 G107	Q57-V88 HydrophobicContact CB-CG2 4.32Å; Q57-V88 HydrophobicContact CG-CG2 4.41Å; C86-V88 PolarHBondContact O-N 3.1Å; V88-G107 WeakPolarHBondContact CG1-O 3.33Å
89	C	85.9	Confident	81.1	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.007	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	4.6	-175.8	63.2	0	0	0	0	113.8	H56 F91 H136	H56-C89 VanDerWaalsContact CE1-SG 3.52Å; H56-C89 PolarHBondContact ND1-SG 2.93Å; H56-C89 VanDerWaalsContact ND1-SG 3.38Å; C89-F91 PolarHBondContact O-N 3.41Å; C89-F91 VanDerWaalsContact O-N 3.07Å; C89-F91 VanDerWaalsContact SG-CB 3.6Å; C89-H136 PolarHBondContact O-NE2 3.43Å
90	S	90.7	Very high	82.2	Confident	55 Å²	55	42 Å²	42	39%	0.385	21%	0.208	S	C	.	.			trans	59.8	11.5	-176.6	-60.7	0	0	0	0	116.5	C86	C86-S90 VanDerWaalsContact O-CA 3.29Å; C86-S90 WeakPolarHBondContact O-CA 3.37Å; C86-S90 PolarHBondContact O-N 2.57Å; C86-S90 VanDerWaalsContact O-N 3.16Å
91	F	91.4	Very high	82.5	Confident	9 Å²	9	40.3 Å²	40.3	4%	0.039	19%	0.19	C	C	.	.			trans	-60.3	133.1	176.9	-170.4	-109.4	0	0	0	112	H56 F58 S70 Q85 C86 C89 V93 V101 F103 H136	H56-F91 AromaticContact CE1-CD1 3.99Å; F58-F91 HydrophobicContact CE1-CD1 4.25Å; F58-F91 HydrophobicContact CZ-CD1 4.1Å; S70-F91 WeakPolarHBondContact O-CZ 3.32Å; Q85-F91 CarbonylContact C-O 3.47Å; Q85-F91 WeakPolarHBondContact CA-O 3.35Å; C86-F91 HydrophobicContact CB-CB 4.28Å; C86-F91 PolarHBondContact N-O 3.32Å; C89-F91 PolarHBondContact O-N 3.41Å; C89-F91 VanDerWaalsContact O-N 3.07Å; C89-F91 VanDerWaalsContact SG-CB 3.6Å; F91-V93 HydrophobicContact CD1-CG1 4.01Å; F91-V93 HydrophobicContact CE1-CG1 3.51Å; F91-V93 HydrophobicContact CZ-CG1 4.21Å; F91-V101 HydrophobicContact CE1-CG1 4.19Å; F91-V101 HydrophobicContact CE1-CG2 3.93Å; F91-F103 HydrophobicContact CD1-CZ 4.27Å; F91-F103 HydrophobicContact CD2-CZ 4.06Å; F91-F103 HydrophobicContact CE1-CE1 4.26Å; F91-F103 AromaticContact CE1-CZ 3.96Å; F91-F103 HydrophobicContact CE1-CZ 3.96Å; F91-F103 HydrophobicContact CE2-CE1 4.2Å; F91-F103 AromaticContact CE2-CZ 3.74Å; F91-F103 HydrophobicContact CE2-CZ 3.74Å; F91-F103 HydrophobicContact CG-CZ 4.33Å; F91-F103 AromaticContact CZ-CE1 3.84Å; F91-F103 HydrophobicContact CZ-CE1 3.84Å; F91-F103 AromaticContact CZ-CZ 3.69Å; F91-F103 HydrophobicContact CZ-CZ 3.69Å; F91-H136 WeakPolarHBondContact CA-O 3.24Å; F91-H136 AromaticContact CD2-CE1 3.83Å; F91-H136 AromaticContact CD2-ND1 3.74Å; F91-H136 VanDerWaalsContact CD2-O 3.25Å; F91-H136 WeakPolarHBondContact CD2-O 3.48Å
92	V	90.4	Very high	82.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.7	-169.6	166	0	0	0	0	112.4	F63 T67 S70 I76 F84 Q85 C137	F63-V92 HydrophobicContact CE1-CG1 3.87Å; F63-V92 HydrophobicContact CE1-CG2 3.84Å; F63-V92 HydrophobicContact CE2-CG1 4.36Å; F63-V92 HydrophobicContact CZ-CB 4.48Å; F63-V92 HydrophobicContact CZ-CG1 3.61Å; F63-V92 HydrophobicContact CZ-CG2 4.02Å; T67-V92 HydrophobicContact CG2-CG1 3.76Å; S70-V92 VanDerWaalsContact CB-O 3.22Å; S70-V92 WeakPolarHBondContact CB-O 3.17Å; S70-V92 PolarHBondContact N-O 3.13Å; S70-V92 PolarHBondContact OG-O 2.91Å; I76-V92 HydrophobicContact CD1-CG1 3.41Å; I76-V92 VanDerWaalsContact CD1-CG1 3.41Å; F84-V92 WeakPolarHBondContact O-CA 3.48Å; Q85-V92 HydrophobicContact CB-CG2 4.02Å; Q85-V92 HydrophobicContact CG-CG2 3.78Å; V92-C137 WeakPolarHBondContact CB-O 3.3Å; V92-C137 WeakPolarHBondContact CG2-O 3.39Å
93	V	84.1	Confident	82.5	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	156.9	-175.6	-70.4	0	0	0	0	112.5	F58 H71 F84 F91 C97 H98 V101	F58-V93 HydrophobicContact CD1-CG2 4.16Å; F58-V93 HydrophobicContact CE1-CG2 3.65Å; F58-V93 HydrophobicContact CZ-CG2 4Å; H71-V93 HydrophobicContact CB-CG1 3.88Å; F84-V93 HydrophobicContact CB-CG2 4.08Å; F84-V93 PolarHBondContact N-O 2.85Å; F84-V93 PolarHBondContact O-N 3.43Å; F91-V93 HydrophobicContact CD1-CG1 4.01Å; F91-V93 HydrophobicContact CE1-CG1 3.51Å; F91-V93 HydrophobicContact CZ-CG1 4.21Å; V93-C97 HydrophobicContact CB-CB 4.11Å; V93-H98 HydrophobicContact CG2-CB 3.6Å; V93-V101 HydrophobicContact CG1-CG2 4.38Å
94	H	77.1	Confident	82.2	Confident	19 Å²	19	43.3 Å²	43.3	9%	0.088	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	161.1	166.1	-61	106.9	0	0	0	111.4	C69 C72 D74 F75 R96 C97 H98	C69-H94 WeakPolarHBondContact CB-CE1 3.31Å; C69-H94 VanDerWaalsContact CB-ND1 3.26Å; C69-H94 WeakPolarHBondContact CB-ND1 3.49Å; C69-H94 PolarHBondContact SG-N 2.82Å; C69-H94 VanDerWaalsContact SG-N 3.41Å; C69-H94 PolarHBondContact SG-ND1 3.38Å; C72-H94 PolarHBondContact SG-CE1 3.25Å; C72-H94 PolarHBondContact SG-ND1 2.99Å; C72-H94 VanDerWaalsContact SG-ND1 3.41Å; D74-H94 PolarHBondContact O-CE1 2.88Å; F75-H94 PolarHBondContact O-NE2 3.01Å; H94-R96 HydrophobicContact CB-CG 3.96Å; H94-R96 PolarHBondContact O-N 3.32Å; H94-C97 HydrophobicContact CB-CB 4.27Å; H94-C97 PolarHBondContact O-N 2.9Å; H94-C97 VanDerWaalsContact O-N 3.14Å; H94-H98 PolarHBondContact O-N 3.35Å
95	K	81.3	Confident	81.9	Confident	103 Å²	103	42.2 Å²	42.2	45%	0.448	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-33.6	170.2	-65.3	172.6	-167.1	151.7	0	113.7	K81 Q82 F84 H98	K81-K95 WeakPolarHBondContact O-CE 3.25Å; K81-K95 PolarHBondContact O-NZ 2.77Å; Q82-K95 WeakPolarHBondContact O-CE 3.13Å; F84-K95 HydrophobicContact CD2-CB 4.36Å; F84-K95 HydrophobicContact CD2-CG 4.19Å; F84-K95 HydrophobicContact CE2-CB 4.11Å; F84-K95 HydrophobicContact CE2-CG 4.02Å; K95-H98 PolarHBondContact O-CE1 2.73Å; K95-H98 PolarHBondContact O-ND1 2.71Å
96	R	76	Confident	81.4	Confident	123 Å²	123	41.9 Å²	41.9	46%	0.464	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-40.8	174.5	64	-177.9	178.5	-178.7	2	112.4	D74 H94 H98 D273	D74-R96 IonicContact OD2-NH2 3.84Å; H94-R96 HydrophobicContact CB-CG 3.96Å; H94-R96 PolarHBondContact O-N 3.32Å; R96-H98 PolarHBondContact O-N 3.24Å; R96-D273 IonicContact NH1-OD1 3.71Å; R96-D273 IonicContact NH1-OD2 3.16Å; R96-D273 PolarHBondContact NH1-OD2 3.32Å; R96-D273 VanDerWaalsContact NH1-OD2 3.16Å
97	C	69.9	Low	80.7	Confident	6 Å²	6	44.1 Å²	44.1	4%	0.041	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-76.8	-16.3	-171.6	-60.5	0	0	0	0	115.2	H71 V93 H94 E99 F100	H71-C97 HydrophobicContact CB-CB 4.09Å; V93-C97 HydrophobicContact CB-CB 4.11Å; H94-C97 HydrophobicContact CB-CB 4.27Å; H94-C97 PolarHBondContact O-N 2.9Å; H94-C97 VanDerWaalsContact O-N 3.14Å; C97-E99 VanDerWaalsContact C-N 3.29Å; C97-E99 PolarHBondContact O-N 2.79Å; C97-F100 PolarHBondContact O-N 2.67Å; C97-F100 VanDerWaalsContact O-N 3.16Å
98	H	78.3	Confident	80.3	Confident	9 Å²	9	41.4 Å²	41.4	4%	0.042	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-67.4	-24.4	-172	83.4	-50.9	0	0	0	115.2	V53 F58 F84 V93 H94 K95 R96	V53-H98 WeakPolarHBondContact CG1-O 3.33Å; F58-H98 HydrophobicContact CD2-CB 4.18Å; F58-H98 HydrophobicContact CE2-CB 4.24Å; F58-H98 HydrophobicContact CG-CB 4.48Å; F84-H98 HydrophobicContact CD2-CB 3.77Å; F84-H98 AromaticContact CD2-CD2 3.6Å; F84-H98 AromaticContact CD2-CG 3.51Å; F84-H98 AromaticContact CD2-ND1 3.95Å; F84-H98 HydrophobicContact CE2-CB 4.4Å; F84-H98 AromaticContact CE2-CD2 3.46Å; F84-H98 VanDerWaalsContact CE2-CD2 3.46Å; F84-H98 WeakPolarHBondContact CE2-CD2 3.18Å; F84-H98 AromaticContact CE2-CE1 3.63Å; F84-H98 AromaticContact CE2-CG 3.64Å; F84-H98 AromaticContact CE2-ND1 3.72Å; F84-H98 AromaticContact CE2-NE2 3.42Å; F84-H98 WeakPolarHBondContact CE2-NE2 3.36Å; F84-H98 HydrophobicContact CG-CB 4.47Å; F84-H98 AromaticContact CZ-NE2 3.86Å; V93-H98 HydrophobicContact CG2-CB 3.6Å; H94-H98 PolarHBondContact O-N 3.35Å; K95-H98 PolarHBondContact O-CE1 2.73Å; K95-H98 PolarHBondContact O-ND1 2.71Å; R96-H98 PolarHBondContact O-N 3.24Å
99	E	77.3	Confident	79.4	Confident	125 Å²	125	45.9 Å²	45.9	58%	0.584	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-81.6	-20.3	176.6	-76.9	163.2	-153.5	0	0	112.3	C97	C97-E99 VanDerWaalsContact C-N 3.29Å; C97-E99 PolarHBondContact O-N 2.79Å
100	F	70.2	Confident	78.4	Confident	38 Å²	38	50.1 Å²	50.1	17%	0.167	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-92.1	9.5	179.8	-52.7	-50.7	0	0	0	113.7	H71 C97 T102 P204 D206	H71-F100 PolarHBondContact CE1-O 2.83Å; H71-F100 VanDerWaalsContact CE1-O 3.31Å; C97-F100 PolarHBondContact O-N 2.67Å; C97-F100 VanDerWaalsContact O-N 3.16Å; F100-T102 PolarHBondContact O-N 2.79Å; F100-P204 HydrophobicContact CD1-CG 4.43Å; F100-P204 HydrophobicContact CG-CG 4.42Å; F100-D206 WeakPolarHBondContact CZ-O 3.49Å
101	V	73.3	Confident	77	Confident	3 Å²	3	49 Å²	49	2%	0.018	28%	0.275	C	S	.	.			trans	-69.3	113.9	174.1	-178.8	0	0	0	0	109	K54 F58 F91 V93 F103	K54-V101 VanDerWaalsContact CG-O 3.26Å; K54-V101 WeakPolarHBondContact CG-O 3.38Å; F58-V101 HydrophobicContact CE2-CG2 4.31Å; F58-V101 HydrophobicContact CZ-CG2 4.06Å; F91-V101 HydrophobicContact CE1-CG1 4.19Å; F91-V101 HydrophobicContact CE1-CG2 3.93Å; V93-V101 HydrophobicContact CG1-CG2 4.38Å; V101-F103 HydrophobicContact CG1-CD1 4.11Å; V101-F103 HydrophobicContact CG1-CE1 3.95Å; V101-F103 HydrophobicContact CG1-CG 4.47Å; V101-F103 HydrophobicContact CG1-CZ 4.19Å
102	T	71.6	Confident	75.5	Confident	111 Å²	111	52 Å²	52	68%	0.681	30%	0.296	S	S	*	.			trans	-82.2	-27.5	-170.2	50.9	0	0	0	0	113.7	F100	F100-T102 PolarHBondContact O-N 2.79Å
103	F	74.5	Confident	73.9	Confident	33 Å²	33	61.1 Å²	61.1	15%	0.145	33%	0.33	C	S	.	.	S	Bend	trans	-101.4	154.1	-170.9	65	-93.1	0	0	0	113.6	K54 H56 F91 V101 P106 P167 L169	K54-F103 WeakPolarHBondContact CB-O 3.45Å; H56-F103 AromaticContact CE1-CE2 3.55Å; H56-F103 AromaticContact NE2-CD2 3.7Å; H56-F103 AromaticContact NE2-CE2 3.33Å; H56-F103 VanDerWaalsContact NE2-CE2 3.33Å; H56-F103 WeakPolarHBondContact NE2-CE2 3.48Å; F91-F103 HydrophobicContact CD1-CZ 4.27Å; F91-F103 HydrophobicContact CD2-CZ 4.06Å; F91-F103 HydrophobicContact CE1-CE1 4.26Å; F91-F103 AromaticContact CE1-CZ 3.96Å; F91-F103 HydrophobicContact CE1-CZ 3.96Å; F91-F103 HydrophobicContact CE2-CE1 4.2Å; F91-F103 AromaticContact CE2-CZ 3.74Å; F91-F103 HydrophobicContact CE2-CZ 3.74Å; F91-F103 HydrophobicContact CG-CZ 4.33Å; F91-F103 AromaticContact CZ-CE1 3.84Å; F91-F103 HydrophobicContact CZ-CE1 3.84Å; F91-F103 AromaticContact CZ-CZ 3.69Å; F91-F103 HydrophobicContact CZ-CZ 3.69Å; V101-F103 HydrophobicContact CG1-CD1 4.11Å; V101-F103 HydrophobicContact CG1-CE1 3.95Å; V101-F103 HydrophobicContact CG1-CG 4.47Å; V101-F103 HydrophobicContact CG1-CZ 4.19Å; F103-P106 HydrophobicContact CE2-CG 4.45Å; F103-P167 HydrophobicContact CB-CB 4.44Å; F103-P167 HydrophobicContact CD1-CG 4.17Å; F103-P167 HydrophobicContact CD2-CB 3.65Å; F103-P167 HydrophobicContact CD2-CG 3.82Å; F103-P167 HydrophobicContact CE1-CG 4.07Å; F103-P167 HydrophobicContact CE2-CB 3.96Å; F103-P167 HydrophobicContact CE2-CG 3.7Å; F103-P167 HydrophobicContact CG-CB 4Å; F103-P167 HydrophobicContact CG-CG 4.06Å; F103-P167 HydrophobicContact CZ-CG 3.84Å; F103-L169 HydrophobicContact CB-CD1 3.86Å; F103-L169 HydrophobicContact CD1-CD1 4.29Å; F103-L169 HydrophobicContact CG-CD1 4.26Å
104	T	79.9	Confident	72.4	Confident	52 Å²	52	64.8 Å²	64.8	32%	0.319	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-75.4	137.1	174	-59.5	0	0	0	0	111.2	K54 D55 P106	K54-T104 WeakPolarHBondContact O-CA 3.44Å; D55-T104 HydrophobicContact CB-CG2 4.25Å; D55-T104 WeakPolarHBondContact OD2-CG2 3.41Å; T104-P106 VanDerWaalsContact O-CD 3.29Å; T104-P106 WeakPolarHBondContact O-CD 3.37Å
105	C	84.8	Confident	71.3	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-51.7	117.4	179.8	-174.7	0	0	0	0	112.1	K54 D55 H56 G107 S108	K54-C105 PolarHBondContact O-N 3.16Å; D55-C105 VanDerWaalsContact C-CB 3.49Å; D55-C105 HydrophobicContact CB-CB 4.3Å; D55-C105 WeakPolarHBondContact O-CB 3.27Å; H56-C105 HydrophobicContact CB-CB 4.36Å; H56-C105 WeakPolarHBondContact NE2-CA 3.35Å; C105-G107 PolarHBondContact O-N 3.16Å; C105-G107 VanDerWaalsContact O-N 3.08Å; C105-S108 VanDerWaalsContact O-CB 3.32Å; C105-S108 WeakPolarHBondContact O-CB 3.37Å; C105-S108 PolarHBondContact O-N 2.81Å
106	P	81.7	Confident	69.9	Low	39 Å²	39	71.8 Å²	71.8	25%	0.253	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-18.8	-174.5	-29.5	39.4	0	0	0	115.3	F103 T104 S165 P167	F103-P106 HydrophobicContact CE2-CG 4.45Å; T104-P106 VanDerWaalsContact O-CD 3.29Å; T104-P106 WeakPolarHBondContact O-CD 3.37Å; P106-S165 WeakPolarHBondContact CG-O 3.4Å; P106-P167 HydrophobicContact CG-CB 4.01Å
107	G	78.8	Confident	69	Low	48 Å²	48	68.8 Å²	68.8	50%	0.495	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	7.4	173.3	0	0	0	0	0	114.9	V88 C105	V88-G107 WeakPolarHBondContact CG1-O 3.33Å; C105-G107 PolarHBondContact O-N 3.16Å; C105-G107 VanDerWaalsContact O-N 3.08Å
108	S	80.6	Confident	68.3	Low	33 Å²	33	78.8 Å²	78.8	23%	0.231	43%	0.432	C	S	.	.	S	Bend	trans	-79.4	149.5	175	-171.7	0	0	0	0	112	C105 T110 A111	C105-S108 VanDerWaalsContact O-CB 3.32Å; C105-S108 WeakPolarHBondContact O-CB 3.37Å; C105-S108 PolarHBondContact O-N 2.81Å; S108-T110 WeakPolarHBondContact CB-OG1 3.27Å; S108-T110 PolarHBondContact O-N 3.29Å; S108-T110 PolarHBondContact OG-N 2.96Å; S108-T110 PolarHBondContact OG-OG1 3.3Å; S108-A111 VanDerWaalsContact O-CB 3.31Å; S108-A111 WeakPolarHBondContact O-CB 3.36Å; S108-A111 PolarHBondContact O-N 3.09Å; S108-A111 VanDerWaalsContact O-N 3.1Å
109	V	69.8	Low	67.8	Low	157 Å²	157	79.5 Å²	79.5	95%	0.952	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-20.6	173.1	-170.9	0	0	0	0	112
110	T	65	Low	67.6	Low	89 Å²	89	80 Å²	80	55%	0.546	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-1.2	177.4	46	0	0	0	0	114.5	D55 S108	D55-T110 WeakPolarHBondContact OD2-CB 3.36Å; D55-T110 PolarHBondContact OD2-OG1 2.81Å; S108-T110 WeakPolarHBondContact CB-OG1 3.27Å; S108-T110 PolarHBondContact O-N 3.29Å; S108-T110 PolarHBondContact OG-N 2.96Å; S108-T110 PolarHBondContact OG-OG1 3.3Å
111	A	61.1	Low	68.1	Low	31 Å²	31	79.9 Å²	79.9	26%	0.256	44%	0.435	S	S	.	.	S	Bend	trans	-63.4	142	-178.9	0	0	0	0	0	111.9	S108	S108-A111 VanDerWaalsContact O-CB 3.31Å; S108-A111 WeakPolarHBondContact O-CB 3.36Å; S108-A111 PolarHBondContact O-N 3.09Å; S108-A111 VanDerWaalsContact O-N 3.1Å
112	P	59.7	Low	68.8	Low	74 Å²	74	83.1 Å²	83.1	48%	0.481	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-59.8	149	174.4	-19.6	31.3	0	0	0	111.4	L117	P112-L117 HydrophobicContact CB-CD1 4.16Å; P112-L117 HydrophobicContact CB-CG 4.41Å
113	R	56.8	Low	69.7	Low	191 Å²	191	79 Å²	79	72%	0.721	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-72.1	152.3	-176.2	-66.5	-178.3	175.6	-177.5	-0.8	110.8	D115 D116	R113-D115 PolarHBondContact O-N 2.95Å; R113-D116 PolarHBondContact O-N 3.22Å; R113-D116 VanDerWaalsContact O-N 3.13Å
114	P	52.8	Low	70.4	Confident	76 Å²	76	83.4 Å²	83.4	49%	0.494	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-13.3	-172.5	-24.7	35.7	0	0	0	115.6	R120	P114-R120 PolarHBondContact O-NH1 3.47Å
115	D	53.3	Low	70.7	Confident	148 Å²	148	85.2 Å²	85.2	79%	0.791	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-14.7	-176.8	-52	-42.7	0	0	0	112.9	R113	R113-D115 PolarHBondContact O-N 2.95Å
116	D	53.1	Low	70.2	Confident	121 Å²	121	88.8 Å²	88.8	65%	0.647	47%	0.469	S	S	*	.	S	Bend	trans	-84.6	-7.7	-178.9	-63.7	-51.7	0	0	0	113.3	R113	R113-D116 PolarHBondContact O-N 3.22Å; R113-D116 VanDerWaalsContact O-N 3.13Å
117	L	56.3	Low	69.8	Low	60 Å²	60	89 Å²	89	31%	0.314	47%	0.471	S	S	.	.			trans	-113.3	115	-167.8	-69.6	169.5	0	0	0	112.7	P112 S119	P112-L117 HydrophobicContact CB-CD1 4.16Å; P112-L117 HydrophobicContact CB-CG 4.41Å; L117-S119 VanDerWaalsContact C-N 3.29Å; L117-S119 PolarHBondContact O-N 3.2Å
118	K	56.3	Low	69.4	Low	217 Å²	217	87.5 Å²	87.5	94%	0.943	45%	0.45	S	S	*	.	S	Bend	trans	-73.3	-8.4	-174.3	-61.8	-173	179.1	-177.8	0	115.6
119	S	65.9	Low	68.1	Low	24 Å²	24	89.9 Å²	89.9	17%	0.168	47%	0.467	C	S	.	.	B	Isolated β-bridge	trans	-120.8	58.4	-165.7	43.9	0	0	0	0	113	L117 S168 L169 C170	L117-S119 VanDerWaalsContact C-N 3.29Å; L117-S119 PolarHBondContact O-N 3.2Å; S119-S168 CarbonylContact O-C 3.49Å; S119-S168 PolarHBondContact OG-O 3.47Å; S119-L169 PolarHBondContact O-N 2.91Å; S119-C170 VanDerWaalsContact O-CB 3.28Å; S119-C170 WeakPolarHBondContact O-CB 3.36Å; S119-C170 PolarHBondContact O-N 2.74Å
120	R	75.1	Confident	67.5	Low	135 Å²	135	84.3 Å²	84.3	51%	0.509	43%	0.434	S	S	.	.			trans	-84.5	138.1	-176.3	-64	-176	64.9	158.7	-6.7	112.7	P114 C170	P114-R120 PolarHBondContact O-NH1 3.47Å; R120-C170 VanDerWaalsContact C-CB 3.42Å; R120-C170 WeakPolarHBondContact O-CB 3.26Å
121	H	79.8	Confident	67.5	Low	35 Å²	35	85.2 Å²	85.2	16%	0.162	44%	0.442	C	S	.	.			trans	-69.8	131.7	176.5	-71	-100.9	0	0	0	110.6	F123 M156 P167 C170	H121-F123 HydrophobicContact CB-CD2 3.57Å; H121-F123 HydrophobicContact CB-CE2 3.3Å; H121-F123 HydrophobicContact CB-CG 4.37Å; H121-F123 HydrophobicContact CB-CZ 3.88Å; H121-F123 AromaticContact CG-CE2 3.74Å; H121-F123 AromaticContact CG-CZ 3.94Å; H121-F123 AromaticContact ND1-CZ 3.84Å; H121-F123 PolarHBondContact O-N 2.9Å; H121-M156 VanDerWaalsContact CE1-SD 3.53Å; H121-P167 PolarHBondContact CD2-O 3.4Å; H121-P167 PolarHBondContact NE2-O 3.34Å; H121-C170 HydrophobicContact CB-CB 4.22Å; H121-C170 WeakPolarHBondContact NE2-CA 3.48Å; H121-C170 PolarHBondContact NE2-N 3.5Å
122	T	88.1	Confident	68.2	Low	71 Å²	71	85 Å²	85	44%	0.436	44%	0.437	S	S	.	.			trans	-98.5	82.5	171.1	-58.6	0	0	0	0	108.3	C151 T152	T122-C151 WeakPolarHBondContact O-CA 3.3Å; T122-T152 WeakPolarHBondContact CG2-OG1 3.27Å; T122-T152 PolarHBondContact O-N 3.45Å; T122-T152 PolarHBondContact O-OG1 3.23Å
123	F	90.5	Very high	69.3	Low	25 Å²	25	84.2 Å²	84.2	11%	0.11	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	140	179.1	-79.2	-63.5	0	0	0	111.6	H121 M149 C151 M156 V158 E163 V166	H121-F123 HydrophobicContact CB-CD2 3.57Å; H121-F123 HydrophobicContact CB-CE2 3.3Å; H121-F123 HydrophobicContact CB-CG 4.37Å; H121-F123 HydrophobicContact CB-CZ 3.88Å; H121-F123 AromaticContact CG-CE2 3.74Å; H121-F123 AromaticContact CG-CZ 3.94Å; H121-F123 AromaticContact ND1-CZ 3.84Å; H121-F123 PolarHBondContact O-N 2.9Å; F123-M149 HydrophobicContact CB-CB 3.98Å; F123-M149 HydrophobicContact CB-CE 4.21Å; F123-M149 HydrophobicContact CD1-CB 3.77Å; F123-M149 HydrophobicContact CG-CB 4.1Å; F123-C151 HydrophobicContact CD1-CB 3.95Å; F123-C151 HydrophobicContact CE1-CB 3.75Å; F123-C151 HydrophobicContact CZ-CB 4.38Å; F123-M156 HydrophobicContact CZ-SD 4.13Å; F123-V158 HydrophobicContact CD1-CG2 4.03Å; F123-V158 HydrophobicContact CE1-CG1 4.34Å; F123-V158 HydrophobicContact CE1-CG2 3.51Å; F123-V158 HydrophobicContact CE2-CG2 4.32Å; F123-V158 HydrophobicContact CZ-CG1 4.22Å; F123-V158 HydrophobicContact CZ-CG2 3.68Å; F123-E163 HydrophobicContact CB-CG 4.34Å; F123-E163 WeakPolarHBondContact CB-OE1 3.41Å; F123-E163 HydrophobicContact CD2-CG 3.85Å; F123-E163 HydrophobicContact CG-CG 4.32Å; F123-V166 HydrophobicContact CE2-CB 4.29Å; F123-V166 HydrophobicContact CE2-CG1 4.09Å; F123-V166 HydrophobicContact CE2-CG2 4.37Å; F123-V166 HydrophobicContact CZ-CG1 4.15Å; F123-V166 HydrophobicContact CZ-CG2 4.27Å
124	K	88.1	Confident	70.8	Confident	126 Å²	126	75.2 Å²	75.2	55%	0.548	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	147.2	167.2	-66.9	-172.9	-172.9	174.5	0	109.4	H126 M149 K150 T152	K124-H126 PolarHBondContact O-N 3.27Å; K124-M149 CarbonylContact O-C 3.53Å; K124-M149 WeakPolarHBondContact O-CA 3.13Å; K124-K150 PolarHBondContact N-O 2.83Å; K124-K150 PolarHBondContact O-N 3.4Å; K124-T152 HydrophobicContact CB-CG2 4.33Å; K124-T152 HydrophobicContact CD-CG2 3.58Å; K124-T152 HydrophobicContact CG-CG2 3.81Å
125	I	87.5	Confident	72.3	Confident	89 Å²	89	73.4 Å²	73.4	46%	0.456	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	132.6	170.6	-62.9	166.1	0	0	0	108.7	H146 M149	I125-H146 HydrophobicContact CG2-CB 3.46Å; I125-H146 VanDerWaalsContact CG2-CB 3.46Å; I125-H146 WeakPolarHBondContact CG2-CD2 3.38Å; I125-H146 VanDerWaalsContact CG2-CG 3.44Å; I125-M149 HydrophobicContact CB-SD 4.18Å; I125-M149 HydrophobicContact CG1-CE 3.93Å; I125-M149 HydrophobicContact CG1-SD 3.48Å; I125-M149 WeakPolarHBondContact CG1-SD 3.33Å
126	H	73.7	Confident	74	Confident	75 Å²	75	66.3 Å²	66.3	35%	0.347	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	141.8	-176.5	-166.7	62.3	0	0	0	111.4	K124 Y128 H146 Q147 G148 K150	K124-H126 PolarHBondContact O-N 3.27Å; H126-Y128 HydrophobicContact CB-CE2 4.16Å; H126-Y128 AromaticContact CD2-CD1 3.87Å; H126-Y128 AromaticContact CD2-CE1 3.62Å; H126-Y128 AromaticContact CD2-CZ 3.74Å; H126-H146 CarbonylContact O-C 3.58Å; H126-H146 VanDerWaalsContact O-CA 3.29Å; H126-H146 WeakPolarHBondContact O-CA 3.08Å; H126-Q147 PolarHBondContact O-N 2.93Å; H126-G148 PolarHBondContact N-O 2.84Å; H126-K150 HydrophobicContact CB-CB 3.65Å
127	T	72.9	Confident	75.6	Confident	45 Å²	45	60.9 Å²	60.9	28%	0.276	31%	0.312	S	S	.	.			trans	-97.6	126.6	169.4	-63.6	0	0	0	0	108.5	I145 H146 Q147	T127-I145 HydrophobicContact CG2-CB 4.46Å; T127-I145 HydrophobicContact CG2-CG2 4.27Å; T127-H146 PolarHBondContact OG1-CD2 2.91Å; T127-H146 PolarHBondContact OG1-N 3.02Å; T127-Q147 VanDerWaalsContact CA-OE1 3.32Å
128	Y	69.9	Low	76.7	Confident	16 Å²	16	58 Å²	58	6%	0.063	30%	0.298	C	S	.	.			trans	-97.3	134.7	178.1	-60.8	-92.2	0	0	0	109.3	H126 T132 L141 Q147 M149 N157	H126-Y128 HydrophobicContact CB-CE2 4.16Å; H126-Y128 AromaticContact CD2-CD1 3.87Å; H126-Y128 AromaticContact CD2-CE1 3.62Å; H126-Y128 AromaticContact CD2-CZ 3.74Å; Y128-T132 HydrophobicContact CD1-CG2 3.65Å; Y128-T132 WeakPolarHBondContact CD1-OG1 3.39Å; Y128-T132 HydrophobicContact CE1-CG2 3.76Å; Y128-T132 HydrophobicContact CG-CG2 4.34Å; Y128-L141 HydrophobicContact CD2-CD1 3.93Å; Y128-L141 HydrophobicContact CE1-CD1 4.19Å; Y128-L141 HydrophobicContact CE2-CD1 3.47Å; Y128-L141 VanDerWaalsContact CE2-CD1 3.47Å; Y128-L141 HydrophobicContact CG-CD1 4.46Å; Y128-Q147 HydrophobicContact CD2-CB 4.18Å; Y128-Q147 PolarHBondContact O-NE2 3.45Å; Y128-M149 PolarHBondContact OH-O 3.4Å; Y128-M149 VanDerWaalsContact OH-O 3.04Å; Y128-N157 HydrophobicContact CE1-CB 3.89Å; Y128-N157 VanDerWaalsContact CE1-OD1 3.29Å; Y128-N157 WeakPolarHBondContact CE1-OD1 3.23Å; Y128-N157 WeakPolarHBondContact OH-CA 3.13Å; Y128-N157 WeakPolarHBondContact OH-CB 3.47Å; Y128-N157 PolarHBondContact OH-OD1 3.4Å
129	S	54	Low	77.9	Confident	83 Å²	83	48.6 Å²	48.6	58%	0.58	26%	0.259	S	S	*	.	S	Bend	trans	-85.8	-15.1	177.7	74	0	0	0	0	113.6	D656	S129-D656 WeakPolarHBondContact CB-OD2 3.22Å; S129-D656 PolarHBondContact OG-OD2 2.91Å
130	S	57.5	Low	78.7	Confident	39 Å²	39	49.4 Å²	49.4	27%	0.273	26%	0.261	S	S	.	.	S	Bend	trans	-128.7	155.9	179	65.6	0	0	0	0	111.8	T132	S130-T132 PolarHBondContact O-N 3.37Å; S130-T132 PolarHBondContact O-OG1 3.37Å
131	P	64.4	Low	78.8	Confident	108 Å²	108	43.4 Å²	43.4	70%	0.701	24%	0.239	S	C	*	.			trans	-56	97.2	179.1	-27.8	36.7	0	0	0	112.6	L140	P131-L140 HydrophobicContact CB-CD1 3.96Å
132	T	76.8	Confident	78.2	Confident	26 Å²	26	44 Å²	44	16%	0.16	24%	0.24	C	C	.	.			trans	-105.5	139.9	-173.3	-59.3	0	0	0	0	109.9	Y128 S130 L140 L141 N157	Y128-T132 HydrophobicContact CD1-CG2 3.65Å; Y128-T132 WeakPolarHBondContact CD1-OG1 3.39Å; Y128-T132 HydrophobicContact CE1-CG2 3.76Å; Y128-T132 HydrophobicContact CG-CG2 4.34Å; S130-T132 PolarHBondContact O-N 3.37Å; S130-T132 PolarHBondContact O-OG1 3.37Å; T132-L140 WeakPolarHBondContact O-CD1 3.29Å; T132-L141 HydrophobicContact CG2-CD1 3.88Å; T132-L141 VanDerWaalsContact O-CB 3.28Å; T132-L141 WeakPolarHBondContact O-CB 3.49Å; T132-L141 WeakPolarHBondContact O-CG 3.26Å; T132-L141 PolarHBondContact O-N 2.69Å; T132-N157 HydrophobicContact CG2-CB 3.95Å
133	F	82.9	Confident	76.2	Confident	59 Å²	59	42 Å²	42	26%	0.259	23%	0.234	S	C	.	.	B	Isolated β-bridge	trans	-101.7	150.6	-178.4	-65.9	-97.4	0	0	0	111.1	P66 F68 D135 G138 L140	P66-F133 HydrophobicContact CB-CE1 4.39Å; F68-F133 HydrophobicContact CD2-CB 4.2Å; F68-F133 AromaticContact CD2-CD1 3.63Å; F68-F133 HydrophobicContact CD2-CD1 3.63Å; F68-F133 HydrophobicContact CD2-CD2 4.01Å; F68-F133 AromaticContact CD2-CE1 3.98Å; F68-F133 HydrophobicContact CD2-CE1 3.98Å; F68-F133 HydrophobicContact CD2-CE2 4.35Å; F68-F133 AromaticContact CD2-CG 3.65Å; F68-F133 HydrophobicContact CD2-CG 3.65Å; F68-F133 HydrophobicContact CD2-CZ 4.34Å; F68-F133 AromaticContact CE2-CD1 3.87Å; F68-F133 HydrophobicContact CE2-CD1 3.87Å; F68-F133 AromaticContact CE2-CD2 3.77Å; F68-F133 HydrophobicContact CE2-CD2 3.77Å; F68-F133 AromaticContact CE2-CE1 3.78Å; F68-F133 HydrophobicContact CE2-CE1 3.78Å; F68-F133 AromaticContact CE2-CE2 3.7Å; F68-F133 HydrophobicContact CE2-CE2 3.7Å; F68-F133 AromaticContact CE2-CG 3.87Å; F68-F133 HydrophobicContact CE2-CG 3.87Å; F68-F133 AromaticContact CE2-CZ 3.71Å; F68-F133 HydrophobicContact CE2-CZ 3.71Å; F133-D135 PolarHBondContact O-N 3Å; F133-G138 WeakPolarHBondContact CD1-O 3.18Å; F133-L140 HydrophobicContact CD1-CB 4.13Å; F133-L140 HydrophobicContact CD1-CD1 4.27Å; F133-L140 HydrophobicContact CD2-CD1 4.3Å; F133-L140 HydrophobicContact CE1-CB 3.9Å; F133-L140 HydrophobicContact CE1-CD1 3.91Å; F133-L140 HydrophobicContact CE2-CD1 3.92Å; F133-L140 HydrophobicContact CG-CD1 4.46Å; F133-L140 HydrophobicContact CZ-CD1 3.71Å
134	C	86.8	Confident	74	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.007	24%	0.238	C	C	.	.			trans	-71.7	110.1	176.2	-178.5	0	0	0	0	109.7	H136 C137 G138 S139 L141 N157 H159	C134-H136 PolarHBondContact O-N 3.06Å; C134-C137 PolarHBondContact O-N 3.25Å; C134-C137 VanDerWaalsContact SG-SG 3.62Å; C134-G138 WeakPolarHBondContact O-CA 3.38Å; C134-G138 PolarHBondContact O-N 3.36Å; C134-S139 WeakPolarHBondContact CB-O 3.14Å; C134-S139 PolarHBondContact N-O 3.5Å; C134-L141 HydrophobicContact CB-CD2 3.72Å; C134-N157 CarbonylContact C-O 3.57Å; C134-N157 WeakPolarHBondContact CA-O 3.35Å; C134-H159 PolarHBondContact SG-N 2.66Å; C134-H159 VanDerWaalsContact SG-N 3.44Å
135	D	86.2	Confident	72.2	Confident	38 Å²	38	39.2 Å²	39.2	20%	0.203	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-25.9	177.1	-77.2	-60.8	0	0	0	112.1	S70 F133 M156 N157	S70-D135 WeakPolarHBondContact CA-O 3.46Å; S70-D135 WeakPolarHBondContact CB-O 3.28Å; S70-D135 PolarHBondContact OG-O 3.45Å; F133-D135 PolarHBondContact O-N 3Å; D135-M156 HydrophobicContact CB-CE 3.71Å; D135-M156 HydrophobicContact CB-CG 3.71Å; D135-N157 PolarHBondContact N-O 2.7Å; D135-N157 PolarHBondContact OD2-N 3.12Å; D135-N157 PolarHBondContact OD2-ND2 3.24Å; D135-N157 VanDerWaalsContact OD2-ND2 3.16Å
136	H	88.4	Confident	71.5	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-32.5	-177.3	-177.8	77.4	0	0	0	115.5	S70 C89 F91 C134 M156 V158 C162 S165 V166	S70-H136 PolarHBondContact OG-O 2.74Å; S70-H136 VanDerWaalsContact OG-O 3.12Å; C89-H136 PolarHBondContact O-NE2 3.43Å; F91-H136 WeakPolarHBondContact CA-O 3.24Å; F91-H136 AromaticContact CD2-CE1 3.83Å; F91-H136 AromaticContact CD2-ND1 3.74Å; F91-H136 VanDerWaalsContact CD2-O 3.25Å; F91-H136 WeakPolarHBondContact CD2-O 3.48Å; C134-H136 PolarHBondContact O-N 3.06Å; H136-M156 HydrophobicContact CB-CE 4.29Å; H136-V158 HydrophobicContact CB-CG1 3.94Å; H136-C162 HydrophobicContact CB-CB 4.25Å; H136-S165 PolarHBondContact CE1-O 3.24Å; H136-V166 HydrophobicContact CB-CG2 3.93Å
137	C	86.5	Confident	71.8	Confident	6 Å²	6	37.4 Å²	37.4	4%	0.041	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.2	4.4	-177.4	82.7	0	0	0	0	114.9	S70 V92 C134 S139 H159	S70-C137 PolarHBondContact OG-N 2.7Å; V92-C137 WeakPolarHBondContact CB-O 3.3Å; V92-C137 WeakPolarHBondContact CG2-O 3.39Å; C134-C137 PolarHBondContact O-N 3.25Å; C134-C137 VanDerWaalsContact SG-SG 3.62Å; C137-S139 PolarHBondContact O-N 3.09Å; C137-H159 VanDerWaalsContact SG-CE1 3.56Å; C137-H159 PolarHBondContact SG-ND1 3.17Å; C137-H159 VanDerWaalsContact SG-ND1 3.44Å
138	G	78.6	Confident	72.4	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.01	20%	0.202	C	C	.	.			trans	74.8	-19.5	174	0	0	0	0	0	116.4	T67 F68 S70 F133 C134	T67-G138 WeakPolarHBondContact CA-O 3.37Å; F68-G138 PolarHBondContact N-O 3.38Å; F68-G138 WeakPolarHBondContact O-CA 3.39Å; S70-G138 PolarHBondContact OG-N 2.83Å; F133-G138 WeakPolarHBondContact CD1-O 3.18Å; C134-G138 WeakPolarHBondContact O-CA 3.38Å; C134-G138 PolarHBondContact O-N 3.36Å
139	S	82.8	Confident	73.4	Confident	19 Å²	19	35.1 Å²	35.1	13%	0.133	20%	0.202	C	C	.	.	S	Bend	trans	-76.4	156.1	179.6	-72.1	0	0	0	0	113.5	Q65 C134 C137	Q65-S139 PolarHBondContact OE1-OG 2.95Å; C134-S139 WeakPolarHBondContact CB-O 3.14Å; C134-S139 PolarHBondContact N-O 3.5Å; C137-S139 PolarHBondContact O-N 3.09Å
140	L	81.7	Confident	75.1	Confident	41 Å²	41	33.6 Å²	33.6	22%	0.215	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-59.6	142.5	177.4	-172.2	69.4	0	0	0	112	P131 T132 F133 Y142 H159	P131-L140 HydrophobicContact CB-CD1 3.96Å; T132-L140 WeakPolarHBondContact O-CD1 3.29Å; F133-L140 HydrophobicContact CD1-CB 4.13Å; F133-L140 HydrophobicContact CD1-CD1 4.27Å; F133-L140 HydrophobicContact CD2-CD1 4.3Å; F133-L140 HydrophobicContact CE1-CB 3.9Å; F133-L140 HydrophobicContact CE1-CD1 3.91Å; F133-L140 HydrophobicContact CE2-CD1 3.92Å; F133-L140 HydrophobicContact CG-CD1 4.46Å; F133-L140 HydrophobicContact CZ-CD1 3.71Å; L140-Y142 HydrophobicContact CB-CD2 4.35Å; L140-Y142 HydrophobicContact CB-CE2 3.99Å; L140-Y142 HydrophobicContact CD2-CD1 4.19Å; L140-Y142 HydrophobicContact CD2-CE1 4.03Å; L140-Y142 WeakPolarHBondContact O-CD2 3.32Å; L140-Y142 PolarHBondContact O-N 3.48Å; L140-H159 PolarHBondContact O-CE1 3.2Å; L140-H159 PolarHBondContact O-NE2 3.38Å
141	L	78.5	Confident	76.4	Confident	9 Å²	9	31.8 Å²	31.8	5%	0.047	17%	0.172	C	C	.	.			trans	-78.4	90.1	166.5	-58.9	-179.1	0	0	0	108.5	Y128 T132 C134 Q147 N157 H159	Y128-L141 HydrophobicContact CD2-CD1 3.93Å; Y128-L141 HydrophobicContact CE1-CD1 4.19Å; Y128-L141 HydrophobicContact CE2-CD1 3.47Å; Y128-L141 VanDerWaalsContact CE2-CD1 3.47Å; Y128-L141 HydrophobicContact CG-CD1 4.46Å; T132-L141 HydrophobicContact CG2-CD1 3.88Å; T132-L141 VanDerWaalsContact O-CB 3.28Å; T132-L141 WeakPolarHBondContact O-CB 3.49Å; T132-L141 WeakPolarHBondContact O-CG 3.26Å; T132-L141 PolarHBondContact O-N 2.69Å; C134-L141 HydrophobicContact CB-CD2 3.72Å; L141-Q147 HydrophobicContact CB-CB 3.85Å; L141-N157 HydrophobicContact CD1-CB 4.13Å; L141-H159 HydrophobicContact CD2-CB 4.42Å; L141-H159 VanDerWaalsContact CD2-CD2 3.47Å; L141-H159 WeakPolarHBondContact CD2-CD2 3.34Å
142	Y	65.6	Low	77.2	Confident	47 Å²	47	30.3 Å²	30.3	18%	0.184	16%	0.161	C	C	.	.			trans	-66.2	155.3	-179.3	-68.8	-86.3	0	0	0	113.1	Q65 L140 Q147 E572	Q65-Y142 PolarHBondContact NE2-OH 2.99Å; L140-Y142 HydrophobicContact CB-CD2 4.35Å; L140-Y142 HydrophobicContact CB-CE2 3.99Å; L140-Y142 HydrophobicContact CD2-CD1 4.19Å; L140-Y142 HydrophobicContact CD2-CE1 4.03Å; L140-Y142 WeakPolarHBondContact O-CD2 3.32Å; L140-Y142 PolarHBondContact O-N 3.48Å; Y142-Q147 WeakPolarHBondContact O-CA 3.18Å; Y142-Q147 VanDerWaalsContact O-CB 3.25Å; Y142-Q147 WeakPolarHBondContact O-CB 3.49Å; Y142-Q147 WeakPolarHBondContact O-CG 3.48Å; Y142-E572 HydrophobicContact CE1-CG 4.27Å
143	G	46.6	Very low	77.1	Confident	30 Å²	30	32.5 Å²	32.5	31%	0.309	18%	0.178	S	C	.	.	S	Bend	trans	101.5	177.9	178.8	0	0	0	0	0	114.6	Q147	G143-Q147 WeakPolarHBondContact O-CG 3.46Å; G143-Q147 PolarHBondContact O-NE2 3.18Å
144	L	45.2	Very low	76.3	Confident	37 Å²	37	30.3 Å²	30.3	19%	0.194	17%	0.169	C	C	.	.	S	Bend	trans	-111.8	-26.1	-166.3	-53.7	179.6	0	0	0	113.7	Q147 M455 Q459 L495 E559	L144-Q147 PolarHBondContact O-NE2 3.02Å; L144-M455 HydrophobicContact CB-CE 4.33Å; L144-M455 HydrophobicContact CB-SD 3.76Å; L144-M455 HydrophobicContact CD1-CE 3.66Å; L144-M455 HydrophobicContact CD1-SD 3.76Å; L144-M455 HydrophobicContact CD2-CE 3.44Å; L144-M455 VanDerWaalsContact CD2-CE 3.44Å; L144-M455 HydrophobicContact CD2-SD 4.04Å; L144-M455 HydrophobicContact CG-CE 3.97Å; L144-M455 HydrophobicContact CG-SD 4.04Å; L144-Q459 PolarHBondContact O-NE2 3.24Å; L144-Q459 VanDerWaalsContact O-NE2 3.11Å; L144-L495 HydrophobicContact CD1-CD1 4.35Å; L144-E559 VanDerWaalsContact CD1-OE1 3.23Å; L144-E559 WeakPolarHBondContact CD1-OE1 3.42Å
145	I	49.5	Very low	76	Confident	55 Å²	55	34.3 Å²	34.3	28%	0.282	19%	0.191	S	C	.	.	S	Bend	trans	-137.9	151.6	170.9	56.1	171.6	0	0	0	108.6	T127 Q147 Q459 G563	T127-I145 HydrophobicContact CG2-CB 4.46Å; T127-I145 HydrophobicContact CG2-CG2 4.27Å; I145-Q147 PolarHBondContact O-N 3.46Å; I145-Q459 HydrophobicContact CG2-CG 3.91Å; I145-G563 WeakPolarHBondContact CD1-O 3.04Å
146	H	72	Confident	75.9	Confident	98 Å²	98	33.9 Å²	33.9	45%	0.454	19%	0.188	S	C	.	.	S	Bend	trans	55.4	27.8	171.4	-57.3	152.2	0	0	0	114.8	I125 H126 T127 G148 R160	I125-H146 HydrophobicContact CG2-CB 3.46Å; I125-H146 VanDerWaalsContact CG2-CB 3.46Å; I125-H146 WeakPolarHBondContact CG2-CD2 3.38Å; I125-H146 VanDerWaalsContact CG2-CG 3.44Å; H126-H146 CarbonylContact O-C 3.58Å; H126-H146 VanDerWaalsContact O-CA 3.29Å; H126-H146 WeakPolarHBondContact O-CA 3.08Å; T127-H146 PolarHBondContact OG1-CD2 2.91Å; T127-H146 PolarHBondContact OG1-N 3.02Å; H146-G148 PolarHBondContact O-N 3.05Å; H146-R160 PolarHBondContact O-NH2 3.49Å; H146-R160 VanDerWaalsContact O-NH2 3.14Å
147	Q	81.5	Confident	75.9	Confident	27 Å²	27	35.1 Å²	35.1	13%	0.126	20%	0.195	C	C	.	.			trans	-56.7	-24.4	-171.5	-58.7	96.7	-27.8	0	0	113.5	H126 T127 Y128 L141 Y142 G143 L144 I145	H126-Q147 PolarHBondContact O-N 2.93Å; T127-Q147 VanDerWaalsContact CA-OE1 3.32Å; Y128-Q147 HydrophobicContact CD2-CB 4.18Å; Y128-Q147 PolarHBondContact O-NE2 3.45Å; L141-Q147 HydrophobicContact CB-CB 3.85Å; Y142-Q147 WeakPolarHBondContact O-CA 3.18Å; Y142-Q147 VanDerWaalsContact O-CB 3.25Å; Y142-Q147 WeakPolarHBondContact O-CB 3.49Å; Y142-Q147 WeakPolarHBondContact O-CG 3.48Å; G143-Q147 WeakPolarHBondContact O-CG 3.46Å; G143-Q147 PolarHBondContact O-NE2 3.18Å; L144-Q147 PolarHBondContact O-NE2 3.02Å; I145-Q147 PolarHBondContact O-N 3.46Å
148	G	85.3	Confident	76.1	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	-166.3	176.6	0	0	0	0	0	113	H126 H146 V158	H126-G148 PolarHBondContact N-O 2.84Å; H146-G148 PolarHBondContact O-N 3.05Å; G148-V158 CarbonylContact C-O 3.52Å; G148-V158 WeakPolarHBondContact CA-O 3.41Å
149	M	90.7	Very high	76.6	Confident	13 Å²	13	35.4 Å²	35.4	6%	0.064	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	139	170.9	-50	-63.4	-78.8	0	0	108	F123 K124 I125 Y128 V158 R160	F123-M149 HydrophobicContact CB-CB 3.98Å; F123-M149 HydrophobicContact CB-CE 4.21Å; F123-M149 HydrophobicContact CD1-CB 3.77Å; F123-M149 HydrophobicContact CG-CB 4.1Å; K124-M149 CarbonylContact O-C 3.53Å; K124-M149 WeakPolarHBondContact O-CA 3.13Å; I125-M149 HydrophobicContact CB-SD 4.18Å; I125-M149 HydrophobicContact CG1-CE 3.93Å; I125-M149 HydrophobicContact CG1-SD 3.48Å; I125-M149 WeakPolarHBondContact CG1-SD 3.33Å; Y128-M149 PolarHBondContact OH-O 3.4Å; Y128-M149 VanDerWaalsContact OH-O 3.04Å; M149-V158 HydrophobicContact CB-CG2 4.11Å; M149-V158 PolarHBondContact N-O 3.46Å; M149-V158 PolarHBondContact O-N 3.09Å; M149-R160 HydrophobicContact CG-CB 4.31Å; M149-R160 HydrophobicContact CG-CG 4.39Å; M149-R160 HydrophobicContact SD-CB 4.39Å; M149-R160 HydrophobicContact SD-CG 4.06Å
150	K	90.4	Very high	76.7	Confident	52 Å²	52	40.7 Å²	40.7	23%	0.226	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	134.8	169.2	-163.9	174.5	-158.4	-151	0	110	K124 H126 T152 D155 M156 N157	K124-K150 PolarHBondContact N-O 2.83Å; K124-K150 PolarHBondContact O-N 3.4Å; H126-K150 HydrophobicContact CB-CB 3.65Å; K150-T152 PolarHBondContact O-N 3.3Å; K150-D155 WeakPolarHBondContact CE-OD1 3.13Å; K150-D155 IonicContact NZ-OD1 2.82Å; K150-D155 PolarHBondContact NZ-OD1 3Å; K150-M156 CarbonylContact C-O 3.6Å; K150-M156 WeakPolarHBondContact CA-O 3.34Å; K150-N157 WeakPolarHBondContact CE-OD1 3.48Å; K150-N157 WeakPolarHBondContact CG-OD1 3.43Å
151	C	84.8	Confident	76.8	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	119.1	175.2	-174.7	0	0	0	0	110.1	T122 F123 S153 C154 D155 M156 C170	T122-C151 WeakPolarHBondContact O-CA 3.3Å; F123-C151 HydrophobicContact CD1-CB 3.95Å; F123-C151 HydrophobicContact CE1-CB 3.75Å; F123-C151 HydrophobicContact CZ-CB 4.38Å; C151-S153 PolarHBondContact O-N 3.31Å; C151-S153 VanDerWaalsContact O-N 3.11Å; C151-C154 PolarHBondContact O-N 3.01Å; C151-D155 WeakPolarHBondContact O-CA 3.48Å; C151-D155 PolarHBondContact O-N 3.48Å; C151-M156 HydrophobicContact CB-CB 4.16Å; C151-M156 PolarHBondContact N-O 2.86Å; C151-C170 PolarHBondContact SG-SG 3.48Å
152	T	80.9	Confident	77.3	Confident	77 Å²	77	43.2 Å²	43.2	47%	0.472	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-9.6	-178	56.8	0	0	0	0	114.8	T122 K124 K150	T122-T152 WeakPolarHBondContact CG2-OG1 3.27Å; T122-T152 PolarHBondContact O-N 3.45Å; T122-T152 PolarHBondContact O-OG1 3.23Å; K124-T152 HydrophobicContact CB-CG2 4.33Å; K124-T152 HydrophobicContact CD-CG2 3.58Å; K124-T152 HydrophobicContact CG-CG2 3.81Å; K150-T152 PolarHBondContact O-N 3.3Å
153	S	74.3	Confident	78.3	Confident	73 Å²	73	44.3 Å²	44.3	51%	0.51	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-12.3	-174.8	-41.6	0	0	0	0	113.6	C151	C151-S153 PolarHBondContact O-N 3.31Å; C151-S153 VanDerWaalsContact O-N 3.11Å
154	C	66.5	Low	80.1	Confident	12 Å²	12	48.8 Å²	48.8	8%	0.081	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-151.7	11.2	-178.6	75.8	0	0	0	0	114.6	C151 M156 H174	C151-C154 PolarHBondContact O-N 3.01Å; C154-M156 PolarHBondContact O-N 3.1Å; C154-H174 PolarHBondContact O-CD2 2.83Å; C154-H174 VanDerWaalsContact O-CD2 3.26Å; C154-H174 PolarHBondContact O-CE1 3.37Å; C154-H174 VanDerWaalsContact O-CE1 3.24Å; C154-H174 VanDerWaalsContact O-CG 3.26Å; C154-H174 PolarHBondContact O-ND1 3.2Å; C154-H174 PolarHBondContact O-NE2 2.95Å
155	D	79.8	Confident	82	Confident	86 Å²	86	48.4 Å²	48.4	46%	0.46	25%	0.247	S	C	.	.			trans	55.7	16.7	176.6	-67.8	-64.9	0	0	0	116.8	K150 C151 N157	K150-D155 WeakPolarHBondContact CE-OD1 3.13Å; K150-D155 IonicContact NZ-OD1 2.82Å; K150-D155 PolarHBondContact NZ-OD1 3Å; C151-D155 WeakPolarHBondContact O-CA 3.48Å; C151-D155 PolarHBondContact O-N 3.48Å; D155-N157 VanDerWaalsContact O-CG 3.23Å; D155-N157 PolarHBondContact O-ND2 3.09Å; D155-N157 PolarHBondContact O-OD1 3.46Å; D155-N157 VanDerWaalsContact O-OD1 3.04Å
156	M	84.7	Confident	83.6	Confident	28 Å²	28	46.3 Å²	46.3	14%	0.138	24%	0.237	C	C	.	.			trans	-66.9	136.7	172.9	-171.8	-168.7	-172	0	0	110.8	H121 F123 D135 H136 K150 C151 C154 V158 V166	H121-M156 VanDerWaalsContact CE1-SD 3.53Å; F123-M156 HydrophobicContact CZ-SD 4.13Å; D135-M156 HydrophobicContact CB-CE 3.71Å; D135-M156 HydrophobicContact CB-CG 3.71Å; H136-M156 HydrophobicContact CB-CE 4.29Å; K150-M156 CarbonylContact C-O 3.6Å; K150-M156 WeakPolarHBondContact CA-O 3.34Å; C151-M156 HydrophobicContact CB-CB 4.16Å; C151-M156 PolarHBondContact N-O 2.86Å; C154-M156 PolarHBondContact O-N 3.1Å; M156-V158 HydrophobicContact CE-CG1 3.86Å; M156-V158 HydrophobicContact CG-CG1 4.19Å; M156-V158 HydrophobicContact SD-CG1 4.23Å; M156-V166 HydrophobicContact CE-CG1 4.09Å; M156-V166 HydrophobicContact CE-CG2 4.12Å; M156-V166 HydrophobicContact SD-CG1 3.89Å
157	N	89	Confident	83.9	Confident	26 Å²	26	42.6 Å²	42.6	14%	0.139	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	118.3	-168.1	-44.7	-73.7	0	0	0	109.2	Y128 T132 C134 D135 L141 K150 D155	Y128-N157 HydrophobicContact CE1-CB 3.89Å; Y128-N157 VanDerWaalsContact CE1-OD1 3.29Å; Y128-N157 WeakPolarHBondContact CE1-OD1 3.23Å; Y128-N157 WeakPolarHBondContact OH-CA 3.13Å; Y128-N157 WeakPolarHBondContact OH-CB 3.47Å; Y128-N157 PolarHBondContact OH-OD1 3.4Å; T132-N157 HydrophobicContact CG2-CB 3.95Å; C134-N157 CarbonylContact C-O 3.57Å; C134-N157 WeakPolarHBondContact CA-O 3.35Å; D135-N157 PolarHBondContact N-O 2.7Å; D135-N157 PolarHBondContact OD2-N 3.12Å; D135-N157 PolarHBondContact OD2-ND2 3.24Å; D135-N157 VanDerWaalsContact OD2-ND2 3.16Å; L141-N157 HydrophobicContact CD1-CB 4.13Å; K150-N157 WeakPolarHBondContact CE-OD1 3.48Å; K150-N157 WeakPolarHBondContact CG-OD1 3.43Å; D155-N157 VanDerWaalsContact O-CG 3.23Å; D155-N157 PolarHBondContact O-ND2 3.09Å; D155-N157 PolarHBondContact O-OD1 3.46Å; D155-N157 VanDerWaalsContact O-OD1 3.04Å
158	V	90.3	Very high	83.6	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	153.3	-174.7	-58.6	0	0	0	0	112.4	F123 H136 G148 M149 M156 C162 V166	F123-V158 HydrophobicContact CD1-CG2 4.03Å; F123-V158 HydrophobicContact CE1-CG1 4.34Å; F123-V158 HydrophobicContact CE1-CG2 3.51Å; F123-V158 HydrophobicContact CE2-CG2 4.32Å; F123-V158 HydrophobicContact CZ-CG1 4.22Å; F123-V158 HydrophobicContact CZ-CG2 3.68Å; H136-V158 HydrophobicContact CB-CG1 3.94Å; G148-V158 CarbonylContact C-O 3.52Å; G148-V158 WeakPolarHBondContact CA-O 3.41Å; M149-V158 HydrophobicContact CB-CG2 4.11Å; M149-V158 PolarHBondContact N-O 3.46Å; M149-V158 PolarHBondContact O-N 3.09Å; M156-V158 HydrophobicContact CE-CG1 3.86Å; M156-V158 HydrophobicContact CG-CG1 4.19Å; M156-V158 HydrophobicContact SD-CG1 4.23Å; V158-C162 HydrophobicContact CB-CB 4.15Å; V158-V166 HydrophobicContact CB-CG2 4.5Å; V158-V166 HydrophobicContact CG1-CG2 3.86Å; V158-V166 HydrophobicContact CG2-CG2 4.49Å
159	H	87.9	Confident	82.9	Confident	13 Å²	13	45.5 Å²	45.5	6%	0.06	24%	0.241	C	C	.	.			trans	-61.5	152.3	168.5	-60	111.9	0	0	0	110.3	C134 C137 L140 L141 R161 C162 E163	C134-H159 PolarHBondContact SG-N 2.66Å; C134-H159 VanDerWaalsContact SG-N 3.44Å; C137-H159 VanDerWaalsContact SG-CE1 3.56Å; C137-H159 PolarHBondContact SG-ND1 3.17Å; C137-H159 VanDerWaalsContact SG-ND1 3.44Å; L140-H159 PolarHBondContact O-CE1 3.2Å; L140-H159 PolarHBondContact O-NE2 3.38Å; L141-H159 HydrophobicContact CD2-CB 4.42Å; L141-H159 VanDerWaalsContact CD2-CD2 3.47Å; L141-H159 WeakPolarHBondContact CD2-CD2 3.34Å; H159-R161 HydrophobicContact CB-CG 3.57Å; H159-R161 PolarHBondContact CE1-NH2 3.05Å; H159-R161 VanDerWaalsContact CE1-NH2 3.29Å; H159-R161 PolarHBondContact ND1-NH2 3.11Å; H159-R161 PolarHBondContact O-N 3.37Å; H159-C162 HydrophobicContact CB-CB 4.36Å; H159-C162 WeakPolarHBondContact O-CA 3.02Å; H159-C162 WeakPolarHBondContact O-CB 3.27Å; H159-C162 PolarHBondContact O-N 3.12Å; H159-E163 PolarHBondContact O-N 3.45Å
160	R	85.9	Confident	81.7	Confident	130 Å²	130	45.7 Å²	45.7	49%	0.491	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-31.9	172.4	-163.8	176.1	-61.9	134.6	13.1	112.9	H146 M149 C162	H146-R160 PolarHBondContact O-NH2 3.49Å; H146-R160 VanDerWaalsContact O-NH2 3.14Å; M149-R160 HydrophobicContact CG-CB 4.31Å; M149-R160 HydrophobicContact CG-CG 4.39Å; M149-R160 HydrophobicContact SD-CB 4.39Å; M149-R160 HydrophobicContact SD-CG 4.06Å; R160-C162 VanDerWaalsContact C-N 3.29Å; R160-C162 PolarHBondContact O-N 3.27Å
161	R	83.9	Confident	80.1	Confident	99 Å²	99	45.8 Å²	45.8	37%	0.374	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-22.5	171.4	60.2	164	178.3	-170.4	-17.1	114.6	H159 I570	H159-R161 HydrophobicContact CB-CG 3.57Å; H159-R161 PolarHBondContact CE1-NH2 3.05Å; H159-R161 VanDerWaalsContact CE1-NH2 3.29Å; H159-R161 PolarHBondContact ND1-NH2 3.11Å; H159-R161 PolarHBondContact O-N 3.37Å; R161-I570 VanDerWaalsContact NH1-CD1 3.31Å; R161-I570 PolarHBondContact NH1-O 2.91Å; R161-I570 PolarHBondContact NH2-O 3.07Å
162	C	88.1	Confident	78.8	Confident	5 Å²	5	52.1 Å²	52.1	3%	0.034	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-19.2	-175.5	-67.8	0	0	0	0	112.9	H136 V158 H159 R160 T164 S165 V166	H136-C162 HydrophobicContact CB-CB 4.25Å; V158-C162 HydrophobicContact CB-CB 4.15Å; H159-C162 HydrophobicContact CB-CB 4.36Å; H159-C162 WeakPolarHBondContact O-CA 3.02Å; H159-C162 WeakPolarHBondContact O-CB 3.27Å; H159-C162 PolarHBondContact O-N 3.12Å; R160-C162 VanDerWaalsContact C-N 3.29Å; R160-C162 PolarHBondContact O-N 3.27Å; C162-T164 VanDerWaalsContact C-N 3.29Å; C162-T164 PolarHBondContact O-N 3.13Å; C162-S165 CarbonylContact O-C 3.56Å; C162-S165 WeakPolarHBondContact O-CA 3.35Å; C162-S165 WeakPolarHBondContact O-CB 3.38Å; C162-S165 PolarHBondContact O-N 3.23Å; C162-V166 WeakPolarHBondContact O-CG2 3.4Å; C162-V166 PolarHBondContact O-N 3.32Å
163	E	88.1	Confident	77.6	Confident	69 Å²	69	53 Å²	53	32%	0.322	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-45.9	-46.9	-178.2	178.3	173.1	-156.3	0	0	113.8	F123 H159 S165	F123-E163 HydrophobicContact CB-CG 4.34Å; F123-E163 WeakPolarHBondContact CB-OE1 3.41Å; F123-E163 HydrophobicContact CD2-CG 3.85Å; F123-E163 HydrophobicContact CG-CG 4.32Å; H159-E163 PolarHBondContact O-N 3.45Å; E163-S165 VanDerWaalsContact C-N 3.31Å; E163-S165 PolarHBondContact O-N 2.62Å
164	T	83.6	Confident	76.2	Confident	125 Å²	125	52.6 Å²	52.6	77%	0.767	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-78.7	-11.2	179.7	54.7	0	0	0	0	114.3	C162	C162-T164 VanDerWaalsContact C-N 3.29Å; C162-T164 PolarHBondContact O-N 3.13Å
165	S	84.6	Confident	75.3	Confident	28 Å²	28	56.6 Å²	56.6	20%	0.196	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-99.5	-8	179.8	-64	0	0	0	0	113.4	P106 H136 C162 E163	P106-S165 WeakPolarHBondContact CG-O 3.4Å; H136-S165 PolarHBondContact CE1-O 3.24Å; C162-S165 CarbonylContact O-C 3.56Å; C162-S165 WeakPolarHBondContact O-CA 3.35Å; C162-S165 WeakPolarHBondContact O-CB 3.38Å; C162-S165 PolarHBondContact O-N 3.23Å; E163-S165 VanDerWaalsContact C-N 3.31Å; E163-S165 PolarHBondContact O-N 2.62Å
166	V	83.5	Confident	74.3	Confident	12 Å²	12	53.9 Å²	53.9	7%	0.073	29%	0.289	C	S	.	.	S	Bend	trans	-74.6	135.2	176.8	168	0	0	0	0	110.5	F123 H136 M156 V158 C162	F123-V166 HydrophobicContact CE2-CB 4.29Å; F123-V166 HydrophobicContact CE2-CG1 4.09Å; F123-V166 HydrophobicContact CE2-CG2 4.37Å; F123-V166 HydrophobicContact CZ-CG1 4.15Å; F123-V166 HydrophobicContact CZ-CG2 4.27Å; H136-V166 HydrophobicContact CB-CG2 3.93Å; M156-V166 HydrophobicContact CE-CG1 4.09Å; M156-V166 HydrophobicContact CE-CG2 4.12Å; M156-V166 HydrophobicContact SD-CG1 3.89Å; V158-V166 HydrophobicContact CB-CG2 4.5Å; V158-V166 HydrophobicContact CG1-CG2 3.86Å; V158-V166 HydrophobicContact CG2-CG2 4.49Å; C162-V166 WeakPolarHBondContact O-CG2 3.4Å; C162-V166 PolarHBondContact O-N 3.32Å
167	P	78.9	Confident	73.5	Confident	19 Å²	19	55.6 Å²	55.6	12%	0.123	30%	0.296	C	S	.	.			trans	-67.6	145.9	174.9	31.1	-38	0	0	0	111.6	F103 P106 H121 L169	F103-P167 HydrophobicContact CB-CB 4.44Å; F103-P167 HydrophobicContact CD1-CG 4.17Å; F103-P167 HydrophobicContact CD2-CB 3.65Å; F103-P167 HydrophobicContact CD2-CG 3.82Å; F103-P167 HydrophobicContact CE1-CG 4.07Å; F103-P167 HydrophobicContact CE2-CB 3.96Å; F103-P167 HydrophobicContact CE2-CG 3.7Å; F103-P167 HydrophobicContact CG-CB 4Å; F103-P167 HydrophobicContact CG-CG 4.06Å; F103-P167 HydrophobicContact CZ-CG 3.84Å; P106-P167 HydrophobicContact CG-CB 4.01Å; H121-P167 PolarHBondContact CD2-O 3.4Å; H121-P167 PolarHBondContact NE2-O 3.34Å; P167-L169 HydrophobicContact CB-CD1 3.99Å; P167-L169 HydrophobicContact CB-CG 4.1Å; P167-L169 HydrophobicContact CG-CD1 4.12Å; P167-L169 HydrophobicContact CG-CG 4.47Å; P167-L169 PolarHBondContact O-N 2.79Å
168	S	74.4	Confident	73	Confident	32 Å²	32	55.6 Å²	55.6	22%	0.224	29%	0.294	C	S	.	.	S	Bend	trans	-79.6	69.1	178.9	-70	0	0	0	0	112.4	S119	S119-S168 CarbonylContact O-C 3.49Å; S119-S168 PolarHBondContact OG-O 3.47Å
169	L	71.4	Confident	72.7	Confident	57 Å²	57	55.6 Å²	55.6	30%	0.298	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-120.9	30.9	-178.5	-57.5	174.4	0	0	0	111.9	F103 S119 P167 G171 Q172	F103-L169 HydrophobicContact CB-CD1 3.86Å; F103-L169 HydrophobicContact CD1-CD1 4.29Å; F103-L169 HydrophobicContact CG-CD1 4.26Å; S119-L169 PolarHBondContact O-N 2.91Å; P167-L169 HydrophobicContact CB-CD1 3.99Å; P167-L169 HydrophobicContact CB-CG 4.1Å; P167-L169 HydrophobicContact CG-CD1 4.12Å; P167-L169 HydrophobicContact CG-CG 4.47Å; P167-L169 PolarHBondContact O-N 2.79Å; L169-G171 PolarHBondContact O-N 3.49Å; L169-Q172 WeakPolarHBondContact O-CB 3.46Å; L169-Q172 PolarHBondContact O-N 2.76Å
170	C	65.7	Low	72.8	Confident	17 Å²	17	55.5 Å²	55.5	12%	0.115	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	132.7	-174.6	-175.4	0	0	0	0	112.2	S119 R120 H121 C151 Q172	S119-C170 VanDerWaalsContact O-CB 3.28Å; S119-C170 WeakPolarHBondContact O-CB 3.36Å; S119-C170 PolarHBondContact O-N 2.74Å; R120-C170 VanDerWaalsContact C-CB 3.42Å; R120-C170 WeakPolarHBondContact O-CB 3.26Å; H121-C170 HydrophobicContact CB-CB 4.22Å; H121-C170 WeakPolarHBondContact NE2-CA 3.48Å; H121-C170 PolarHBondContact NE2-N 3.5Å; C151-C170 PolarHBondContact SG-SG 3.48Å; C170-Q172 VanDerWaalsContact C-N 3.29Å; C170-Q172 PolarHBondContact O-N 2.83Å
171	G	55.5	Low	73.2	Confident	54 Å²	54	49.3 Å²	49.3	56%	0.557	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	-3.3	179.9	0	0	0	0	0	114.8	L169	L169-G171 PolarHBondContact O-N 3.49Å
172	Q	57.8	Low	73.8	Confident	133 Å²	133	45.6 Å²	45.6	62%	0.621	26%	0.256	S	S	*	.	S	Bend	trans	-86.4	-4.3	-178.1	-61.6	-169.5	-18.9	0	0	114.8	L169 C170	L169-Q172 WeakPolarHBondContact O-CB 3.46Å; L169-Q172 PolarHBondContact O-N 2.76Å; C170-Q172 VanDerWaalsContact C-N 3.29Å; C170-Q172 PolarHBondContact O-N 2.83Å
173	D	55.6	Low	74.2	Confident	95 Å²	95	45.3 Å²	45.3	51%	0.508	25%	0.254	S	S	.	.	S	Bend	trans	-145.6	35.2	-160.5	-168.2	26.8	0	0	0	116.3	K177	D173-K177 WeakPolarHBondContact O-CE 3.49Å; D173-K177 WeakPolarHBondContact O-CG 3.3Å
174	H	44	Very low	74.6	Confident	64 Å²	64	43.8 Å²	43.8	30%	0.296	25%	0.25	S	C	.	.	S	Bend	trans	-130.5	-17.8	178.6	-90.8	-108.3	0	0	0	116.7	C154 K177 K295	C154-H174 PolarHBondContact O-CD2 2.83Å; C154-H174 VanDerWaalsContact O-CD2 3.26Å; C154-H174 PolarHBondContact O-CE1 3.37Å; C154-H174 VanDerWaalsContact O-CE1 3.24Å; C154-H174 VanDerWaalsContact O-CG 3.26Å; C154-H174 PolarHBondContact O-ND1 3.2Å; C154-H174 PolarHBondContact O-NE2 2.95Å; H174-K177 PolarHBondContact NE2-NZ 3.19Å; H174-K295 PolarHBondContact O-NZ 2.93Å
175	T	48.6	Very low	75.3	Confident	97 Å²	97	37.9 Å²	37.9	60%	0.595	21%	0.214	S	C	*	.	S	Bend	trans	-72.7	-38.8	175.3	45.7	0	0	0	0	112.6	K295	T175-K295 WeakPolarHBondContact O-CD 3.3Å; T175-K295 WeakPolarHBondContact O-CE 3.35Å; T175-K295 WeakPolarHBondContact O-CG 3.49Å; T175-K295 PolarHBondContact O-NZ 3.47Å
176	E	59.7	Low	75.8	Confident	28 Å²	28	42 Å²	42	13%	0.131	23%	0.225	C	C	.	.			trans	-141.1	38.2	-161	-60.9	175.2	-173	0	0	114.5	R178 G179 R180 N201	E176-R178 PolarHBondContact O-N 3.34Å; E176-G179 WeakPolarHBondContact O-CA 3.46Å; E176-G179 PolarHBondContact O-N 3.35Å; E176-R180 HydrophobicContact CG-CB 4.23Å; E176-R180 WeakPolarHBondContact OE1-CD 3.16Å; E176-R180 IonicContact OE1-CZ 3.4Å; E176-R180 IonicContact OE1-NE 2.86Å; E176-R180 IonicContact OE1-NH1 2.66Å; E176-R180 PolarHBondContact OE1-NH1 2.88Å; E176-R180 VanDerWaalsContact OE2-CD 3.23Å; E176-R180 WeakPolarHBondContact OE2-CD 3.44Å; E176-N201 PolarHBondContact OE2-ND2 3.45Å
177	K	66.3	Low	76.2	Confident	65 Å²	65	42.4 Å²	42.4	28%	0.283	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-30.7	-174.1	-72.1	-162.1	173.6	-173.5	0	116.7	D173 H174	D173-K177 WeakPolarHBondContact O-CE 3.49Å; D173-K177 WeakPolarHBondContact O-CG 3.3Å; H174-K177 PolarHBondContact NE2-NZ 3.19Å
178	R	80.2	Confident	76.8	Confident	26 Å²	26	44.4 Å²	44.4	10%	0.098	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	14.2	175.9	-60.3	-178.9	173.7	-93.3	-6.2	112.7	D74 E176 M203 M275 L296 L297	D74-R178 IonicContact OD1-CZ 2.79Å; D74-R178 IonicContact OD1-NH2 3.77Å; D74-R178 PolarHBondContact OD1-NH2 3.06Å; E176-R178 PolarHBondContact O-N 3.34Å; R178-M203 HydrophobicContact CB-CE 3.91Å; R178-M203 HydrophobicContact CB-SD 4.41Å; R178-M203 HydrophobicContact CG-CE 3.69Å; R178-M203 HydrophobicContact CG-SD 3.98Å; R178-M275 WeakPolarHBondContact CD-O 3.45Å; R178-M275 PolarHBondContact NH1-O 3.23Å; R178-L296 HydrophobicContact CB-CB 3.98Å; R178-L296 WeakPolarHBondContact O-CD1 3.23Å; R178-L297 WeakPolarHBondContact CD-O 3.49Å
179	G	83.7	Confident	77.4	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.267	C	S	.	.			trans	82.5	-171.8	-168.5	0	0	0	0	0	114.3	E176 R200 N201 L296	E176-G179 WeakPolarHBondContact O-CA 3.46Å; E176-G179 PolarHBondContact O-N 3.35Å; G179-R200 WeakPolarHBondContact CA-O 3.42Å; G179-N201 WeakPolarHBondContact CA-O 3.43Å; G179-N201 PolarHBondContact N-O 3.41Å; G179-L296 WeakPolarHBondContact O-CB 3.29Å; G179-L296 PolarHBondContact O-N 2.88Å
180	R	88.4	Confident	78.2	Confident	11 Å²	11	52.6 Å²	52.6	4%	0.042	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	153.3	178.8	68.1	-171.8	-131.4	-174.2	0.5	111.1	E176 A199 R200 W293 F294	E176-R180 HydrophobicContact CG-CB 4.23Å; E176-R180 WeakPolarHBondContact OE1-CD 3.16Å; E176-R180 IonicContact OE1-CZ 3.4Å; E176-R180 IonicContact OE1-NE 2.86Å; E176-R180 IonicContact OE1-NH1 2.66Å; E176-R180 PolarHBondContact OE1-NH1 2.88Å; E176-R180 VanDerWaalsContact OE2-CD 3.23Å; E176-R180 WeakPolarHBondContact OE2-CD 3.44Å; R180-A199 CarbonylContact O-C 3.55Å; R180-A199 WeakPolarHBondContact O-CA 3.42Å; R180-A199 WeakPolarHBondContact O-CB 3.38Å; R180-R200 HydrophobicContact CG-CB 3.96Å; R180-R200 PolarHBondContact N-O 3.45Å; R180-R200 PolarHBondContact O-N 2.93Å; R180-W293 HydrophobicContact CB-CE3 4.13Å; R180-W293 HydrophobicContact CG-CD2 4.42Å; R180-W293 HydrophobicContact CG-CE3 3.54Å; R180-W293 HydrophobicContact CG-CZ3 3.68Å; R180-F294 CarbonylContact C-O 3.54Å; R180-F294 VanDerWaalsContact CA-O 3.23Å; R180-F294 WeakPolarHBondContact CA-O 3.32Å
181	I	95.4	Very high	79.6	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	132.6	-179.6	-172.4	164.7	0	0	0	111.1	L183 V196 A199 V215 W242 V261 V263 L278 F294 L296	I181-L183 HydrophobicContact CD1-CD2 4.01Å; I181-L183 HydrophobicContact CG1-CD2 3.91Å; I181-L183 HydrophobicContact CG1-CG 4.22Å; I181-L183 HydrophobicContact CG2-CD1 4.31Å; I181-L183 HydrophobicContact CG2-CG 4.33Å; I181-V196 HydrophobicContact CD1-CG1 4.21Å; I181-A199 HydrophobicContact CB-CB 4.29Å; I181-A199 HydrophobicContact CG1-CB 4.36Å; I181-V215 HydrophobicContact CD1-CG1 4.35Å; I181-V215 HydrophobicContact CD1-CG2 3.97Å; I181-W242 HydrophobicContact CD1-CZ3 4.35Å; I181-V261 HydrophobicContact CD1-CG1 4.33Å; I181-V263 HydrophobicContact CD1-CG2 3.95Å; I181-L278 HydrophobicContact CG2-CD2 3.55Å; I181-F294 HydrophobicContact CG2-CB 4.41Å; I181-F294 PolarHBondContact N-O 3.28Å; I181-F294 PolarHBondContact O-N 3.06Å; I181-L296 HydrophobicContact CB-CD2 4.35Å; I181-L296 HydrophobicContact CB-CG 4.48Å; I181-L296 HydrophobicContact CG2-CD2 3.81Å; I181-L296 HydrophobicContact CG2-CG 4.19Å
182	H	95.9	Very high	81.5	Confident	20 Å²	20	51.1 Å²	51.1	9%	0.093	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	121	173.8	-172	-40	0	0	0	109.9	R197 E198 G292 W293	H182-R197 HydrophobicContact CB-CB 4.3Å; H182-R197 PolarHBondContact O-N 2.83Å; H182-R197 VanDerWaalsContact O-N 3.1Å; H182-E198 HydrophobicContact CB-CG 4.03Å; H182-E198 PolarHBondContact N-O 3.21Å; H182-G292 WeakPolarHBondContact CA-O 3.45Å; H182-W293 HydrophobicContact CB-CD2 3.95Å; H182-W293 HydrophobicContact CB-CE3 3.74Å; H182-W293 HydrophobicContact CB-CH2 3.91Å; H182-W293 HydrophobicContact CB-CZ2 4.07Å; H182-W293 HydrophobicContact CB-CZ3 3.73Å; H182-W293 AromaticContact CD2-CE2 3.92Å; H182-W293 AromaticContact CD2-NE1 4Å
183	L	97.2	Very high	83.4	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	159.8	-179.4	-60.5	175.8	0	0	0	111.6	I181 I185 V196 V261 L278 F280 C291 G292 F294	I181-L183 HydrophobicContact CD1-CD2 4.01Å; I181-L183 HydrophobicContact CG1-CD2 3.91Å; I181-L183 HydrophobicContact CG1-CG 4.22Å; I181-L183 HydrophobicContact CG2-CD1 4.31Å; I181-L183 HydrophobicContact CG2-CG 4.33Å; L183-I185 HydrophobicContact CB-CD1 4.35Å; L183-I185 HydrophobicContact CB-CG1 4.26Å; L183-I185 HydrophobicContact CD1-CD1 4.28Å; L183-V196 HydrophobicContact CD2-CB 4.42Å; L183-V196 HydrophobicContact CD2-CG1 4.43Å; L183-V196 HydrophobicContact CD2-CG2 4.07Å; L183-V261 HydrophobicContact CD1-CG1 4.3Å; L183-V261 HydrophobicContact CD1-CG2 4.19Å; L183-V261 HydrophobicContact CD2-CG1 4.48Å; L183-L278 HydrophobicContact CD1-CD1 4.1Å; L183-L278 HydrophobicContact CD1-CD2 4.5Å; L183-F280 HydrophobicContact CD1-CE2 3.67Å; L183-F280 HydrophobicContact CD1-CZ 4.03Å; L183-C291 WeakPolarHBondContact O-CA 3.15Å; L183-G292 PolarHBondContact N-O 3.01Å; L183-G292 PolarHBondContact O-N 3.43Å; L183-F294 HydrophobicContact CB-CD2 4.38Å; L183-F294 HydrophobicContact CD1-CD2 4.38Å
184	T	97.1	Very high	85.4	Confident	37 Å²	37	43.7 Å²	43.7	23%	0.227	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	120	163.6	-53.2	0	0	0	0	107.9	T195 R197 I290 C291	T184-T195 PolarHBondContact N-O 3.42Å; T184-T195 PolarHBondContact O-N 3.41Å; T184-R197 PolarHBondContact OG1-NE 3.2Å; T184-R197 PolarHBondContact OG1-NH2 3.18Å; T184-I290 CarbonylContact C-O 3.52Å; T184-I290 WeakPolarHBondContact CA-O 3.29Å; T184-C291 HydrophobicContact CG2-CB 4.3Å; T184-C291 PolarHBondContact OG1-SG 3.03Å
185	I	97.1	Very high	87.9	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	132.7	-171.2	-44.3	177.4	0	0	0	108.8	L183 I192 Y193 V194 L259 F280 I285 I290	L183-I185 HydrophobicContact CB-CD1 4.35Å; L183-I185 HydrophobicContact CB-CG1 4.26Å; L183-I185 HydrophobicContact CD1-CD1 4.28Å; I185-I192 HydrophobicContact CG2-CG2 3.8Å; I185-Y193 WeakPolarHBondContact CA-O 3.13Å; I185-V194 HydrophobicContact CG1-CG1 4.36Å; I185-V194 HydrophobicContact CG2-CG2 4.33Å; I185-L259 HydrophobicContact CD1-CD2 4.08Å; I185-L259 HydrophobicContact CG2-CD2 3.98Å; I185-F280 HydrophobicContact CD1-CD2 3.4Å; I185-F280 VanDerWaalsContact CD1-CD2 3.4Å; I185-F280 HydrophobicContact CD1-CE2 3.33Å; I185-F280 HydrophobicContact CD1-CG 4.06Å; I185-F280 HydrophobicContact CD1-CZ 3.92Å; I185-I285 HydrophobicContact CG2-CD1 3.96Å; I185-I285 HydrophobicContact CG2-CG1 3.98Å; I185-I285 HydrophobicContact CG2-CG2 3.86Å; I185-I290 HydrophobicContact CB-CB 4.23Å; I185-I290 PolarHBondContact N-O 3.45Å; I185-I290 PolarHBondContact O-N 3.33Å
186	R	95.6	Very high	90.3	Very high	113 Å²	113	37.9 Å²	37.9	43%	0.426	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	139.6	174.5	64.6	-178.6	-171.4	93	6.6	111.1	D188 Y193 P289	R186-D188 IonicContact NH1-OD2 3.82Å; R186-D188 PolarHBondContact NH1-OD2 2.96Å; R186-Y193 HydrophobicContact CG-CD2 4.25Å; R186-Y193 PolarHBondContact N-O 3.29Å; R186-Y193 PolarHBondContact O-N 2.84Å; R186-P289 HydrophobicContact CB-CB 4.3Å
187	G	92.5	Very high	92	Very high	21 Å²	21	40.9 Å²	40.9	22%	0.216	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	140.3	164	0	0	0	0	0	110.7	I285	G187-I285 VanDerWaalsContact N-CG2 3.31Å; G187-I285 PolarHBondContact N-O 3.4Å
188	D	91.1	Very high	93.4	Very high	62 Å²	62	39.8 Å²	39.8	33%	0.332	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	125.8	169	178.6	7.9	0	0	0	108.7	R186 E190 D191 Y193	R186-D188 IonicContact NH1-OD2 3.82Å; R186-D188 PolarHBondContact NH1-OD2 2.96Å; D188-E190 PolarHBondContact O-N 2.84Å; D188-D191 PolarHBondContact N-O 2.86Å; D188-D191 PolarHBondContact O-N 2.91Å; D188-Y193 HydrophobicContact CB-CD2 4.49Å; D188-Y193 HydrophobicContact CB-CE2 4.03Å
189	K	86.9	Confident	94.1	Very high	178 Å²	178	38.6 Å²	38.6	77%	0.774	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	-93.7	-171.8	-62.9	155.6	-168.2	167	0	114.2	F286	K189-F286 WeakPolarHBondContact O-CE1 3.36Å
190	E	88.7	Confident	94.3	Very high	83 Å²	83	41.8 Å²	41.8	39%	0.388	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.8	3.6	-176.7	-58.6	-175	113.4	0	0	112.3	D188 V250 R251	D188-E190 PolarHBondContact O-N 2.84Å; E190-V250 WeakPolarHBondContact O-CG2 3.46Å; E190-V250 PolarHBondContact O-N 2.88Å; E190-R251 HydrophobicContact CB-CG 4.12Å; E190-R251 HydrophobicContact CG-CG 4.48Å; E190-R251 IonicContact OE1-NE 3.71Å; E190-R251 IonicContact OE2-CZ 2.76Å; E190-R251 VanDerWaalsContact OE2-CZ 3.23Å; E190-R251 IonicContact OE2-NE 3.25Å; E190-R251 PolarHBondContact OE2-NE 3.48Å; E190-R251 IonicContact OE2-NH2 2.83Å; E190-R251 PolarHBondContact OE2-NH2 2.79Å
191	D	93.8	Very high	93.8	Very high	40 Å²	40	45.7 Å²	45.7	21%	0.214	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	138.6	-172.5	-63.8	-44.6	0	0	0	111.5	D188 Y193 T247 F248 S249	D188-D191 PolarHBondContact N-O 2.86Å; D188-D191 PolarHBondContact O-N 2.91Å; D191-Y193 HydrophobicContact CB-CE2 4.02Å; D191-T247 HydrophobicContact CB-CG2 3.97Å; D191-F248 CarbonylContact C-O 3.58Å; D191-F248 WeakPolarHBondContact CA-O 3.46Å; D191-S249 VanDerWaalsContact OD1-CA 3.23Å; D191-S249 WeakPolarHBondContact OD1-CA 3.13Å; D191-S249 WeakPolarHBondContact OD1-CB 3.16Å; D191-S249 PolarHBondContact OD1-OG 2.68Å
192	I	95.7	Very high	93.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	125.4	170.6	-61.2	170.5	0	0	0	108.7	I185 V194 L219 T247 F248 V250 L259 V282 I285 F286	I185-I192 HydrophobicContact CG2-CG2 3.8Å; I192-V194 HydrophobicContact CG2-CG2 3.79Å; I192-L219 HydrophobicContact CD1-CD2 4.35Å; I192-T247 CarbonylContact O-C 3.56Å; I192-T247 VanDerWaalsContact O-CA 3.31Å; I192-T247 WeakPolarHBondContact O-CA 3.38Å; I192-F248 HydrophobicContact CB-CB 4.34Å; I192-F248 PolarHBondContact N-O 2.74Å; I192-F248 PolarHBondContact O-N 2.77Å; I192-V250 HydrophobicContact CD1-CG1 3.71Å; I192-V250 HydrophobicContact CG1-CG1 4.2Å; I192-L259 HydrophobicContact CG2-CD2 4.29Å; I192-V282 HydrophobicContact CD1-CB 4.46Å; I192-V282 HydrophobicContact CD1-CG1 4.21Å; I192-V282 HydrophobicContact CD1-CG2 3.9Å; I192-I285 HydrophobicContact CD1-CD1 4Å; I192-I285 HydrophobicContact CD1-CG2 4.39Å; I192-I285 HydrophobicContact CG1-CG2 4.08Å; I192-I285 HydrophobicContact CG2-CD1 4.3Å; I192-I285 HydrophobicContact CG2-CG2 3.92Å; I192-F286 HydrophobicContact CD1-CE2 4.16Å; I192-F286 HydrophobicContact CG1-CD2 4.41Å; I192-F286 HydrophobicContact CG1-CE2 3.52Å; I192-F286 HydrophobicContact CG1-CZ 4.16Å
193	Y	97.3	Very high	92.2	Very high	70 Å²	70	46.4 Å²	46.4	28%	0.275	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127.5	172.4	-57.3	-86.3	0	0	0	109.3	I185 R186 D188 D191 T247	I185-Y193 WeakPolarHBondContact CA-O 3.13Å; R186-Y193 HydrophobicContact CG-CD2 4.25Å; R186-Y193 PolarHBondContact N-O 3.29Å; R186-Y193 PolarHBondContact O-N 2.84Å; D188-Y193 HydrophobicContact CB-CD2 4.49Å; D188-Y193 HydrophobicContact CB-CE2 4.03Å; D191-Y193 HydrophobicContact CB-CE2 4.02Å; Y193-T247 HydrophobicContact CD1-CG2 4.05Å; Y193-T247 HydrophobicContact CE1-CG2 3.75Å
194	V	97.8	Very high	91.2	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	115.7	-176.2	-171.5	0	0	0	0	109.1	I185 I192 V196 L217 S245 F246 F248 L259	I185-V194 HydrophobicContact CG1-CG1 4.36Å; I185-V194 HydrophobicContact CG2-CG2 4.33Å; I192-V194 HydrophobicContact CG2-CG2 3.79Å; V194-V196 HydrophobicContact CG1-CG2 4.48Å; V194-L217 HydrophobicContact CB-CD1 4.49Å; V194-L217 HydrophobicContact CG1-CD1 4.05Å; V194-L217 HydrophobicContact CG1-CD2 4.23Å; V194-S245 CarbonylContact O-C 3.59Å; V194-S245 VanDerWaalsContact O-CA 3.28Å; V194-S245 WeakPolarHBondContact O-CA 3.15Å; V194-F246 HydrophobicContact CB-CB 4.44Å; V194-F246 PolarHBondContact N-O 3.3Å; V194-F246 PolarHBondContact O-N 2.87Å; V194-F248 HydrophobicContact CG2-CD2 3.88Å; V194-F248 HydrophobicContact CG2-CE2 3.96Å; V194-L259 HydrophobicContact CG1-CD2 4.27Å; V194-L259 HydrophobicContact CG2-CD1 4.28Å; V194-L259 HydrophobicContact CG2-CD2 3.45Å; V194-L259 VanDerWaalsContact CG2-CD2 3.45Å
195	T	97.9	Very high	90.4	Very high	39 Å²	39	48.4 Å²	48.4	24%	0.239	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	120.9	169.3	-55	0	0	0	0	109.7	T184 R197 E244 S245	T184-T195 PolarHBondContact N-O 3.42Å; T184-T195 PolarHBondContact O-N 3.41Å; T195-R197 HydrophobicContact CG2-CG 4.12Å; T195-E244 WeakPolarHBondContact CA-O 3.36Å; T195-S245 WeakPolarHBondContact CG2-OG 3.46Å; T195-S245 PolarHBondContact OG1-OG 3Å
196	V	97.9	Very high	89.2	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	107.9	172.6	179.4	0	0	0	0	107.3	I181 L183 V194 V215 L217 T231 W242 N243 E244 F246	I181-V196 HydrophobicContact CD1-CG1 4.21Å; L183-V196 HydrophobicContact CD2-CB 4.42Å; L183-V196 HydrophobicContact CD2-CG1 4.43Å; L183-V196 HydrophobicContact CD2-CG2 4.07Å; V194-V196 HydrophobicContact CG1-CG2 4.48Å; V196-V215 HydrophobicContact CG1-CB 4.25Å; V196-V215 HydrophobicContact CG1-CG1 4.48Å; V196-V215 HydrophobicContact CG1-CG2 3.8Å; V196-V215 HydrophobicContact CG2-CG1 4.41Å; V196-L217 HydrophobicContact CG2-CD1 4.09Å; V196-L217 HydrophobicContact CG2-CD2 4.49Å; V196-T231 HydrophobicContact CB-CG2 4.16Å; V196-T231 HydrophobicContact CG1-CG2 4.14Å; V196-T231 HydrophobicContact CG2-CG2 4.38Å; V196-W242 HydrophobicContact CG1-CB 4.44Å; V196-W242 HydrophobicContact CG1-CD2 4.14Å; V196-W242 HydrophobicContact CG1-CE3 3.62Å; V196-W242 HydrophobicContact CG1-CZ3 4.17Å; V196-N243 CarbonylContact O-C 3.54Å; V196-N243 VanDerWaalsContact O-CA 3.22Å; V196-N243 WeakPolarHBondContact O-CA 3.48Å; V196-N243 PolarHBondContact O-N 3.23Å; V196-E244 PolarHBondContact N-O 3.44Å; V196-E244 PolarHBondContact O-N 2.8Å; V196-E244 VanDerWaalsContact O-N 3.11Å; V196-F246 HydrophobicContact CG2-CD2 4.44Å; V196-F246 HydrophobicContact CG2-CE2 4.2Å
197	R	95.9	Very high	87.8	Confident	91 Å²	91	50.4 Å²	50.4	34%	0.343	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-75.3	-174.5	-60.6	-166.8	-166.7	-173.7	2.8	111.7	H182 T184 T195 W242 N243	H182-R197 HydrophobicContact CB-CB 4.3Å; H182-R197 PolarHBondContact O-N 2.83Å; H182-R197 VanDerWaalsContact O-N 3.1Å; T184-R197 PolarHBondContact OG1-NE 3.2Å; T184-R197 PolarHBondContact OG1-NH2 3.18Å; T195-R197 HydrophobicContact CG2-CG 4.12Å; R197-W242 PolarHBondContact O-N 3.34Å; R197-N243 WeakPolarHBondContact CA-OD1 3.39Å; R197-N243 PolarHBondContact O-N 2.78Å
198	E	95.8	Very high	86.6	Confident	43 Å²	43	53.3 Å²	53.3	20%	0.201	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	161.8	-175.4	56.1	165.6	139.4	0	0	110.4	H182 R200 P240 V241 W293	H182-E198 HydrophobicContact CB-CG 4.03Å; H182-E198 PolarHBondContact N-O 3.21Å; E198-R200 IonicContact OE1-CZ 3.45Å; E198-R200 IonicContact OE1-NE 2.78Å; E198-R200 IonicContact OE1-NH2 3.7Å; E198-R200 PolarHBondContact OE1-NH2 3.04Å; E198-R200 IonicContact OE2-CZ 2.68Å; E198-R200 IonicContact OE2-NE 3.04Å; E198-R200 PolarHBondContact OE2-NE 3.49Å; E198-R200 IonicContact OE2-NH2 3.31Å; E198-R200 PolarHBondContact OE2-NH2 3.08Å; E198-P240 CarbonylContact C-O 3.34Å; E198-P240 WeakPolarHBondContact CA-O 3.35Å; E198-P240 WeakPolarHBondContact CB-O 3.48Å; E198-V241 HydrophobicContact CB-CB 4.42Å; E198-V241 HydrophobicContact CB-CG1 4.43Å; E198-V241 HydrophobicContact CB-CG2 3.98Å; E198-W293 HydrophobicContact CG-CH2 3.57Å; E198-W293 HydrophobicContact CG-CZ2 4.23Å; E198-W293 HydrophobicContact CG-CZ3 4.27Å; E198-W293 WeakPolarHBondContact OE2-CH2 3.23Å
199	A	94.5	Very high	85.3	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	154.6	161.1	0	0	0	0	0	109.6	R180 I181 L202 N239 P240 W242	R180-A199 CarbonylContact O-C 3.55Å; R180-A199 WeakPolarHBondContact O-CA 3.42Å; R180-A199 WeakPolarHBondContact O-CB 3.38Å; I181-A199 HydrophobicContact CB-CB 4.29Å; I181-A199 HydrophobicContact CG1-CB 4.36Å; A199-L202 HydrophobicContact CB-CD1 4.14Å; A199-L202 HydrophobicContact CB-CD2 3.96Å; A199-L202 HydrophobicContact CB-CG 4.08Å; A199-N239 CarbonylContact O-C 3.5Å; A199-N239 WeakPolarHBondContact O-CA 3.27Å; A199-P240 HydrophobicContact CB-CG 3.97Å; A199-P240 PolarHBondContact N-O 2.98Å; A199-P240 WeakPolarHBondContact O-CD 3.26Å; A199-W242 HydrophobicContact CB-CH2 4Å; A199-W242 HydrophobicContact CB-CZ3 3.74Å
200	R	87.3	Confident	84.8	Confident	68 Å²	68	46.3 Å²	46.3	26%	0.257	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	155.2	174.9	-65.7	179.6	-165.9	173.3	10.3	110.1	G179 R180 E198 L202 N239 W293 D313	G179-R200 WeakPolarHBondContact CA-O 3.42Å; R180-R200 HydrophobicContact CG-CB 3.96Å; R180-R200 PolarHBondContact N-O 3.45Å; R180-R200 PolarHBondContact O-N 2.93Å; E198-R200 IonicContact OE1-CZ 3.45Å; E198-R200 IonicContact OE1-NE 2.78Å; E198-R200 IonicContact OE1-NH2 3.7Å; E198-R200 PolarHBondContact OE1-NH2 3.04Å; E198-R200 IonicContact OE2-CZ 2.68Å; E198-R200 IonicContact OE2-NE 3.04Å; E198-R200 PolarHBondContact OE2-NE 3.49Å; E198-R200 IonicContact OE2-NH2 3.31Å; E198-R200 PolarHBondContact OE2-NH2 3.08Å; R200-L202 VanDerWaalsContact C-N 3.26Å; R200-L202 PolarHBondContact O-N 3.31Å; R200-N239 WeakPolarHBondContact CA-OD1 3.31Å; R200-N239 WeakPolarHBondContact CB-OD1 3.45Å; R200-W293 HydrophobicContact CB-CH2 4.4Å; R200-W293 HydrophobicContact CB-CZ3 4.41Å; R200-W293 HydrophobicContact CG-CH2 3.69Å; R200-W293 HydrophobicContact CG-CZ3 4.15Å; R200-W293 VanDerWaalsContact CZ-CZ2 3.48Å; R200-D313 IonicContact NH1-OD2 3.77Å; R200-D313 PolarHBondContact NH1-OD2 3.04Å
201	N	79.4	Confident	84.6	Confident	92 Å²	92	42.4 Å²	42.4	49%	0.492	22%	0.223	S	C	.	.	S	Bend	trans	56.3	32.1	174.3	-55.8	-32	0	0	0	114.6	E176 G179 L238 N239	E176-N201 PolarHBondContact OE2-ND2 3.45Å; G179-N201 WeakPolarHBondContact CA-O 3.43Å; G179-N201 PolarHBondContact N-O 3.41Å; N201-L238 PolarHBondContact N-O 2.85Å; N201-N239 PolarHBondContact N-OD1 3.36Å
202	L	80.3	Confident	84.6	Confident	5 Å²	5	41 Å²	41	3%	0.026	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-61.5	152.4	174.6	-62.9	-177	0	0	0	111.2	A199 R200 P213 L238 P240 V263 M275 L296	A199-L202 HydrophobicContact CB-CD1 4.14Å; A199-L202 HydrophobicContact CB-CD2 3.96Å; A199-L202 HydrophobicContact CB-CG 4.08Å; R200-L202 VanDerWaalsContact C-N 3.26Å; R200-L202 PolarHBondContact O-N 3.31Å; L202-P213 HydrophobicContact CD1-CB 3.74Å; L202-P213 HydrophobicContact CD1-CG 3.99Å; L202-L238 HydrophobicContact CB-CB 4.45Å; L202-L238 WeakPolarHBondContact CB-O 3.21Å; L202-L238 WeakPolarHBondContact CG-O 3.49Å; L202-L238 PolarHBondContact N-O 2.86Å; L202-L238 WeakPolarHBondContact O-CD2 3.44Å; L202-P240 HydrophobicContact CD1-CG 3.66Å; L202-V263 HydrophobicContact CD1-CG1 4.23Å; L202-V263 HydrophobicContact CD2-CG1 4.38Å; L202-M275 HydrophobicContact CB-CE 3.92Å; L202-M275 HydrophobicContact CD1-CE 4.14Å; L202-M275 HydrophobicContact CD1-SD 4.32Å; L202-L296 HydrophobicContact CD2-CD1 3.34Å
203	M	77.4	Confident	84.7	Confident	30 Å²	30	41 Å²	41	15%	0.148	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-70	143.3	173.7	-63.2	176.8	-63.9	0	0	111.1	R178 M205 S211 M275	R178-M203 HydrophobicContact CB-CE 3.91Å; R178-M203 HydrophobicContact CB-SD 4.41Å; R178-M203 HydrophobicContact CG-CE 3.69Å; R178-M203 HydrophobicContact CG-SD 3.98Å; M203-M205 HydrophobicContact CB-CE 4.43Å; M203-M205 HydrophobicContact CE-CE 3.76Å; M203-S211 PolarHBondContact O-OG 3.15Å; M203-M275 WeakPolarHBondContact CE-O 3.28Å; M203-M275 WeakPolarHBondContact O-CE 3.46Å
204	P	76.1	Confident	84.7	Confident	32 Å²	32	38.4 Å²	38.4	21%	0.208	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-74.9	128.7	169.1	31.4	-33.3	0	0	0	111.2	F100 L210 L238	F100-P204 HydrophobicContact CD1-CG 4.43Å; F100-P204 HydrophobicContact CG-CG 4.42Å; P204-L210 VanDerWaalsContact CA-O 3.27Å; P204-L210 WeakPolarHBondContact CA-O 3.34Å; P204-L238 HydrophobicContact CB-CD1 4.37Å; P204-L238 HydrophobicContact CB-CD2 4.11Å
205	M	78.9	Confident	84.7	Confident	47 Å²	47	38.4 Å²	38.4	23%	0.232	21%	0.205	C	C	.	.			trans	-109.1	-31.5	172.3	-57.9	-60.2	-169.2	0	0	112.1	M203 L210 S211 D265 D273 F274 M275	M203-M205 HydrophobicContact CB-CE 4.43Å; M203-M205 HydrophobicContact CE-CE 3.76Å; M205-L210 PolarHBondContact N-O 3.05Å; M205-L210 VanDerWaalsContact N-O 3.1Å; M205-S211 WeakPolarHBondContact CB-OG 3.17Å; M205-S211 PolarHBondContact N-OG 3.42Å; M205-S211 VanDerWaalsContact N-OG 3.1Å; M205-D265 HydrophobicContact CB-CB 4.02Å; M205-D265 HydrophobicContact CG-CB 3.92Å; M205-D273 HydrophobicContact CG-CB 4.49Å; M205-F274 VanDerWaalsContact CE-O 3.32Å; M205-F274 WeakPolarHBondContact CE-O 3.15Å; M205-M275 HydrophobicContact CE-CB 4.2Å; M205-M275 HydrophobicContact CE-CG 3.93Å; M205-M275 HydrophobicContact CG-CE 4.25Å; M205-M275 HydrophobicContact CG-CG 4.46Å
206	D	71.9	Confident	84.7	Confident	39 Å²	39	38 Å²	38	21%	0.209	20%	0.2	C	C	.	.	S	Bend	trans	-75.1	148.9	-178.9	-102.8	-41.8	0	0	0	112.1	F100 N208 G209 L210	F100-D206 WeakPolarHBondContact CZ-O 3.49Å; D206-N208 WeakPolarHBondContact CB-OD1 3.12Å; D206-N208 PolarHBondContact O-N 3.17Å; D206-N208 PolarHBondContact OD2-ND2 2.8Å; D206-G209 PolarHBondContact O-N 3.18Å; D206-L210 PolarHBondContact N-O 3.19Å; D206-L210 VanDerWaalsContact N-O 3.1Å
207	P	66.6	Low	84.7	Confident	117 Å²	117	38 Å²	38	76%	0.76	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-5.8	170.6	-23.6	34.3	0	0	0	115.8
208	N	67.7	Low	84.6	Confident	82 Å²	82	35.5 Å²	35.5	44%	0.439	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-3.4	174.5	62	24.1	0	0	0	113.1	D206 L210	D206-N208 WeakPolarHBondContact CB-OD1 3.12Å; D206-N208 PolarHBondContact O-N 3.17Å; D206-N208 PolarHBondContact OD2-ND2 2.8Å; N208-L210 VanDerWaalsContact OD1-CA 3.32Å; N208-L210 WeakPolarHBondContact OD1-CA 3.13Å; N208-L210 WeakPolarHBondContact OD1-CB 3.41Å; N208-L210 PolarHBondContact OD1-N 3.2Å
209	G	63.1	Low	84.5	Confident	29 Å²	29	33.7 Å²	33.7	30%	0.299	18%	0.184	S	C	.	.	S	Bend	trans	78.5	18.3	-175.8	0	0	0	0	0	114.2	D206	D206-G209 PolarHBondContact O-N 3.18Å
210	L	76.6	Confident	84.2	Confident	65 Å²	65	34.3 Å²	34.3	34%	0.34	19%	0.187	S	C	.	.	S	Bend	trans	-130.9	-157.3	178.6	-56.5	164.8	0	0	0	108.3	P204 M205 D206 N208 L238	P204-L210 VanDerWaalsContact CA-O 3.27Å; P204-L210 WeakPolarHBondContact CA-O 3.34Å; M205-L210 PolarHBondContact N-O 3.05Å; M205-L210 VanDerWaalsContact N-O 3.1Å; D206-L210 PolarHBondContact N-O 3.19Å; D206-L210 VanDerWaalsContact N-O 3.1Å; N208-L210 VanDerWaalsContact OD1-CA 3.32Å; N208-L210 WeakPolarHBondContact OD1-CA 3.13Å; N208-L210 WeakPolarHBondContact OD1-CB 3.41Å; N208-L210 PolarHBondContact OD1-N 3.2Å; L210-L238 HydrophobicContact CD2-CG 4.22Å
211	S	85.3	Confident	84.1	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.201	C	C	.	.			trans	-156	162.6	177	-106.8	0	0	0	0	110.9	M203 M205 P213 S236 T237 D265 M275	M203-S211 PolarHBondContact O-OG 3.15Å; M205-S211 WeakPolarHBondContact CB-OG 3.17Å; M205-S211 PolarHBondContact N-OG 3.42Å; M205-S211 VanDerWaalsContact N-OG 3.1Å; S211-P213 WeakPolarHBondContact O-CD 3.35Å; S211-S236 CarbonylContact O-C 3.45Å; S211-S236 WeakPolarHBondContact O-CA 3.47Å; S211-S236 PolarHBondContact O-N 3.29Å; S211-T237 PolarHBondContact O-N 3.45Å; S211-D265 VanDerWaalsContact CA-OD1 3.28Å; S211-D265 WeakPolarHBondContact CA-OD1 3.38Å; S211-D265 WeakPolarHBondContact CB-OD1 3.33Å; S211-D265 PolarHBondContact OG-OD1 3.41Å; S211-M275 WeakPolarHBondContact OG-CE 3.21Å
212	D	94.3	Very high	84.2	Confident	11 Å²	11	32.4 Å²	32.4	6%	0.059	19%	0.187	C	C	.	.			trans	-106.9	67.3	170.3	-95.7	26.4	0	0	0	109.5	T233 I234 R235 S236 D265 W266	D212-T233 HydrophobicContact CB-CG2 3.85Å; D212-T233 WeakPolarHBondContact O-CG2 3.49Å; D212-I234 CarbonylContact C-O 3.57Å; D212-I234 VanDerWaalsContact C-O 3.28Å; D212-I234 VanDerWaalsContact CA-O 3.29Å; D212-I234 WeakPolarHBondContact CA-O 3.47Å; D212-R235 WeakPolarHBondContact OD1-CA 3.49Å; D212-R235 WeakPolarHBondContact OD1-CB 3.46Å; D212-R235 VanDerWaalsContact OD2-CD 3.23Å; D212-R235 WeakPolarHBondContact OD2-CD 3.21Å; D212-R235 VanDerWaalsContact OD2-CG 3.25Å; D212-R235 WeakPolarHBondContact OD2-CG 3.48Å; D212-R235 IonicContact OD2-NE 3.17Å; D212-R235 PolarHBondContact OD2-NE 3.26Å; D212-R235 VanDerWaalsContact OD2-NE 3.17Å; D212-S236 PolarHBondContact OD1-N 3.35Å; D212-D265 PolarHBondContact N-OD1 3.41Å; D212-W266 HydrophobicContact CB-CB 4.17Å; D212-W266 WeakPolarHBondContact O-CB 3.2Å; D212-W266 PolarHBondContact O-N 3.23Å
213	P	96.3	Very high	83.7	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	143.9	-168.8	31.5	-39.7	0	0	0	115.1	L202 S211 I234 T237 P240 W242 V263 W264 M275	L202-P213 HydrophobicContact CD1-CB 3.74Å; L202-P213 HydrophobicContact CD1-CG 3.99Å; S211-P213 WeakPolarHBondContact O-CD 3.35Å; P213-I234 WeakPolarHBondContact CD-O 3.41Å; P213-I234 PolarHBondContact O-N 3.36Å; P213-T237 WeakPolarHBondContact CD-O 3.44Å; P213-T237 HydrophobicContact CG-CG2 4.19Å; P213-P240 HydrophobicContact CB-CG 4.23Å; P213-P240 HydrophobicContact CG-CB 3.73Å; P213-P240 HydrophobicContact CG-CG 3.62Å; P213-W242 HydrophobicContact CB-CZ2 4.14Å; P213-W242 HydrophobicContact CG-CZ2 4.46Å; P213-V263 HydrophobicContact CB-CG1 4.45Å; P213-W264 CarbonylContact C-O 3.58Å; P213-W264 WeakPolarHBondContact CA-O 3.46Å; P213-M275 HydrophobicContact CB-SD 3.89Å
214	Y	97.9	Very high	83.5	Confident	16 Å²	16	43.6 Å²	43.6	6%	0.063	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	158.4	164.5	72.9	-82.4	0	0	0	111.4	K216 K230 W264 W266 N272	Y214-K216 HydrophobicContact CE2-CB 4.41Å; Y214-K230 HydrophobicContact CD2-CB 4.32Å; Y214-K230 HydrophobicContact CD2-CD 4.18Å; Y214-K230 HydrophobicContact CE2-CD 4.31Å; Y214-W264 HydrophobicContact CD1-CB 4.15Å; Y214-W264 WeakPolarHBondContact CD1-O 3.14Å; Y214-W264 HydrophobicContact CE1-CB 3.5Å; Y214-W264 VanDerWaalsContact CE1-CB 3.5Å; Y214-W264 HydrophobicContact CE2-CB 3.99Å; Y214-W264 HydrophobicContact CE2-CG 4.42Å; Y214-W264 PolarHBondContact N-O 2.82Å; Y214-W264 PolarHBondContact O-N 3.09Å; Y214-W264 WeakPolarHBondContact OH-CB 3.24Å; Y214-W266 HydrophobicContact CD1-CB 4.05Å; Y214-W266 HydrophobicContact CE1-CB 4.21Å; Y214-N272 VanDerWaalsContact CE1-ND2 3.31Å; Y214-N272 WeakPolarHBondContact CE1-ND2 3.12Å; Y214-N272 PolarHBondContact OH-ND2 2.87Å
215	V	98.2	Very high	83.5	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	138.5	178.6	-169.7	0	0	0	0	110.1	I181 V196 L217 K230 T231 W242 V261 E262 V263	I181-V215 HydrophobicContact CD1-CG1 4.35Å; I181-V215 HydrophobicContact CD1-CG2 3.97Å; V196-V215 HydrophobicContact CG1-CB 4.25Å; V196-V215 HydrophobicContact CG1-CG1 4.48Å; V196-V215 HydrophobicContact CG1-CG2 3.8Å; V196-V215 HydrophobicContact CG2-CG1 4.41Å; V215-L217 HydrophobicContact CG1-CD2 4.36Å; V215-K230 CarbonylContact O-C 3.28Å; V215-K230 WeakPolarHBondContact O-CA 3.41Å; V215-K230 VanDerWaalsContact O-CB 3.29Å; V215-K230 WeakPolarHBondContact O-CB 3.21Å; V215-T231 HydrophobicContact CB-CG2 3.94Å; V215-T231 HydrophobicContact CG2-CG2 4.4Å; V215-T231 PolarHBondContact N-OG1 2.78Å; V215-T231 PolarHBondContact O-N 3Å; V215-W242 HydrophobicContact CG2-CD2 4.11Å; V215-W242 HydrophobicContact CG2-CE3 4Å; V215-W242 HydrophobicContact CG2-CH2 3.38Å; V215-W242 HydrophobicContact CG2-CZ2 3.54Å; V215-W242 HydrophobicContact CG2-CZ3 3.64Å; V215-V261 HydrophobicContact CG1-CG1 3.63Å; V215-E262 CarbonylContact C-O 3.45Å; V215-E262 WeakPolarHBondContact CA-O 3.26Å; V215-V263 HydrophobicContact CG2-CG2 4.22Å
216	K	97.5	Very high	83.6	Confident	30 Å²	30	50.5 Å²	50.5	13%	0.13	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	133.7	177	-168.2	-157.7	-53.8	164	0	108.7	Y214 K228 E262 W264	Y214-K216 HydrophobicContact CE2-CB 4.41Å; K216-K228 HydrophobicContact CG-CG 4.38Å; K216-E262 HydrophobicContact CB-CB 4.4Å; K216-E262 VanDerWaalsContact CD-OE2 3.3Å; K216-E262 WeakPolarHBondContact CD-OE2 3.15Å; K216-E262 VanDerWaalsContact CE-OE2 3.25Å; K216-E262 WeakPolarHBondContact CE-OE2 3.35Å; K216-E262 PolarHBondContact N-O 2.76Å; K216-E262 IonicContact NZ-OE2 2.67Å; K216-E262 PolarHBondContact NZ-OE2 2.89Å; K216-E262 PolarHBondContact O-N 3.11Å; K216-W264 VanDerWaalsContact CE-NE1 3.33Å
217	L	97.3	Very high	84.3	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	135.9	-175.8	-62.7	170.3	0	0	0	110	V194 V196 V215 K228 Q229 F246 F248 S260 V261	V194-L217 HydrophobicContact CB-CD1 4.49Å; V194-L217 HydrophobicContact CG1-CD1 4.05Å; V194-L217 HydrophobicContact CG1-CD2 4.23Å; V196-L217 HydrophobicContact CG2-CD1 4.09Å; V196-L217 HydrophobicContact CG2-CD2 4.49Å; V215-L217 HydrophobicContact CG1-CD2 4.36Å; L217-K228 WeakPolarHBondContact O-CA 3.26Å; L217-Q229 PolarHBondContact N-O 3.47Å; L217-Q229 PolarHBondContact O-N 3.34Å; L217-F246 HydrophobicContact CD1-CB 4.04Å; L217-F246 HydrophobicContact CD1-CD1 4.38Å; L217-F246 HydrophobicContact CD1-CD2 3.29Å; L217-F246 HydrophobicContact CD1-CE2 3.8Å; L217-F246 HydrophobicContact CD1-CG 3.63Å; L217-F248 HydrophobicContact CB-CE1 4.43Å; L217-F248 HydrophobicContact CB-CE2 4.14Å; L217-F248 HydrophobicContact CB-CZ 3.5Å; L217-F248 VanDerWaalsContact CB-CZ 3.5Å; L217-F248 HydrophobicContact CD1-CE2 4.26Å; L217-F248 HydrophobicContact CD1-CZ 4.37Å; L217-S260 WeakPolarHBondContact CA-O 3.44Å; L217-V261 HydrophobicContact CD2-CB 4.07Å; L217-V261 HydrophobicContact CD2-CG1 3.85Å; L217-V261 HydrophobicContact CD2-CG2 3.71Å
218	K	95.3	Very high	85.6	Confident	40 Å²	40	50.1 Å²	50.1	17%	0.174	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	155.1	-179.9	57.5	174.1	179.8	176.2	0	111.2	I220 S227 S260 E262	K218-I220 HydrophobicContact CD-CG2 3.59Å; K218-I220 HydrophobicContact CG-CG2 3.94Å; K218-S227 WeakPolarHBondContact CA-OG 3.32Å; K218-S260 WeakPolarHBondContact CE-OG 3.37Å; K218-S260 PolarHBondContact N-O 2.85Å; K218-S260 PolarHBondContact O-N 2.91Å; K218-E262 WeakPolarHBondContact CE-OE1 3.41Å; K218-E262 IonicContact NZ-OE1 2.66Å; K218-E262 PolarHBondContact NZ-OE1 3.2Å
219	L	93.1	Very high	87	Confident	5 Å²	5	49.2 Å²	49.2	3%	0.026	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	100.5	169.4	-72.4	176.1	0	0	0	109.8	I192 P221 D222 S227 F248 V250 R258 L259 V282	I192-L219 HydrophobicContact CD1-CD2 4.35Å; L219-P221 CarbonylContact O-C 3.54Å; L219-D222 WeakPolarHBondContact O-CB 3.49Å; L219-S227 PolarHBondContact N-OG 3.33Å; L219-F248 HydrophobicContact CD1-CB 4.14Å; L219-F248 HydrophobicContact CD1-CD1 4.29Å; L219-F248 HydrophobicContact CG-CB 4.4Å; L219-F248 HydrophobicContact CG-CD1 3.94Å; L219-F248 HydrophobicContact CG-CG 4.5Å; L219-V250 HydrophobicContact CD1-CG1 3.89Å; L219-V250 HydrophobicContact CD2-CG1 4.41Å; L219-R258 CarbonylContact C-O 3.56Å; L219-R258 WeakPolarHBondContact CA-O 3.4Å; L219-L259 HydrophobicContact CD2-CB 4.36Å; L219-V282 HydrophobicContact CD2-CG2 3.94Å
220	I	88.8	Confident	88.6	Confident	13 Å²	13	53.8 Å²	53.8	7%	0.067	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	146.2	179	55	171	0	0	0	112.3	K218 R257 R258 E303	K218-I220 HydrophobicContact CD-CG2 3.59Å; K218-I220 HydrophobicContact CG-CG2 3.94Å; I220-R257 VanDerWaalsContact O-CA 3.32Å; I220-R257 WeakPolarHBondContact O-CA 3.34Å; I220-R257 VanDerWaalsContact O-CB 3.3Å; I220-R257 WeakPolarHBondContact O-CB 3.36Å; I220-R258 HydrophobicContact CD1-CB 4.09Å; I220-R258 HydrophobicContact CG1-CB 3.74Å; I220-R258 HydrophobicContact CG1-CG 4.45Å; I220-R258 WeakPolarHBondContact CG1-O 3.17Å; I220-R258 PolarHBondContact N-O 2.95Å; I220-R258 PolarHBondContact O-N 3.05Å; I220-E303 HydrophobicContact CD1-CG 3.61Å
221	P	84.1	Confident	89.6	Confident	86 Å²	86	50.9 Å²	50.9	56%	0.558	26%	0.26	S	S	*	.	S	Bend	cis	-72.2	133	-6.4	29.2	-34.5	0	0	0	112.6	L219 P223	L219-P221 CarbonylContact O-C 3.54Å; P221-P223 VanDerWaalsContact C-CD 3.47Å; P221-P223 VanDerWaalsContact O-CD 3.25Å; P221-P223 WeakPolarHBondContact O-CD 3.15Å
222	D	81.6	Confident	90.1	Very high	34 Å²	34	57.6 Å²	57.6	18%	0.182	29%	0.289	C	S	.	.			trans	-116.2	75.2	177.6	-168.1	-7.8	0	0	0	111.2	L219 K224 S225 H226 S227	L219-D222 WeakPolarHBondContact O-CB 3.49Å; D222-K224 PolarHBondContact O-N 3.24Å; D222-K224 PolarHBondContact OD1-N 3.28Å; D222-S225 VanDerWaalsContact CG-CA 3.44Å; D222-S225 PolarHBondContact O-N 2.99Å; D222-S225 VanDerWaalsContact O-N 3.14Å; D222-S225 WeakPolarHBondContact OD1-CA 3.39Å; D222-S225 PolarHBondContact OD1-N 3.34Å; D222-S225 WeakPolarHBondContact OD2-CA 3.34Å; D222-H226 PolarHBondContact OD1-N 3.49Å; D222-H226 PolarHBondContact OD2-N 2.88Å; D222-H226 VanDerWaalsContact OD2-N 3.08Å; D222-S227 WeakPolarHBondContact OD2-CB 3.39Å; D222-S227 PolarHBondContact OD2-N 3.35Å; D222-S227 PolarHBondContact OD2-OG 2.65Å
223	P	71	Confident	90.2	Very high	117 Å²	117	59.2 Å²	59.2	76%	0.76	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-2.7	-175.2	28.6	-36.7	0	0	0	114.3	P221	P221-P223 VanDerWaalsContact C-CD 3.47Å; P221-P223 VanDerWaalsContact O-CD 3.25Å; P221-P223 WeakPolarHBondContact O-CD 3.15Å
224	K	72	Confident	90.2	Very high	152 Å²	152	61.6 Å²	61.6	66%	0.661	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.7	3.6	176.9	-60.6	-173.4	177.7	-176.8	0	113.5	D222 H226	D222-K224 PolarHBondContact O-N 3.24Å; D222-K224 PolarHBondContact OD1-N 3.28Å; K224-H226 PolarHBondContact O-N 3.39Å; K224-H226 VanDerWaalsContact O-N 3.13Å; K224-H226 PolarHBondContact O-ND1 3.45Å; K224-H226 VanDerWaalsContact O-ND1 3.13Å
225	S	75.4	Confident	90	Very high	69 Å²	69	68.8 Å²	68.8	48%	0.483	34%	0.339	S	S	.	.			trans	52.6	25	-175.3	-125.9	0	0	0	0	114.9	D222	D222-S225 VanDerWaalsContact CG-CA 3.44Å; D222-S225 PolarHBondContact O-N 2.99Å; D222-S225 VanDerWaalsContact O-N 3.14Å; D222-S225 WeakPolarHBondContact OD1-CA 3.39Å; D222-S225 PolarHBondContact OD1-N 3.34Å; D222-S225 WeakPolarHBondContact OD2-CA 3.34Å
226	H	82.7	Confident	89.6	Confident	155 Å²	155	71.5 Å²	71.5	72%	0.718	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-21.4	-172.3	-71.4	-18.7	0	0	0	113.8	D222 K224	D222-H226 PolarHBondContact OD1-N 3.49Å; D222-H226 PolarHBondContact OD2-N 2.88Å; D222-H226 VanDerWaalsContact OD2-N 3.08Å; K224-H226 PolarHBondContact O-N 3.39Å; K224-H226 VanDerWaalsContact O-N 3.13Å; K224-H226 PolarHBondContact O-ND1 3.45Å; K224-H226 VanDerWaalsContact O-ND1 3.13Å
227	S	86.3	Confident	89.1	Confident	26 Å²	26	71.6 Å²	71.6	18%	0.182	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-9.3	-178.6	69.7	0	0	0	0	113.9	K218 L219 D222 Q229 F248	K218-S227 WeakPolarHBondContact CA-OG 3.32Å; L219-S227 PolarHBondContact N-OG 3.33Å; D222-S227 WeakPolarHBondContact OD2-CB 3.39Å; D222-S227 PolarHBondContact OD2-N 3.35Å; D222-S227 PolarHBondContact OD2-OG 2.65Å; S227-Q229 PolarHBondContact O-N 2.85Å; S227-F248 WeakPolarHBondContact O-CE1 3.28Å
228	K	93.4	Very high	88.4	Confident	123 Å²	123	73.2 Å²	73.2	54%	0.535	37%	0.369	S	S	.	.			trans	-65.7	111.4	-164	-175.4	178.2	177.6	178.7	0	113.6	K216 L217	K216-K228 HydrophobicContact CG-CG 4.38Å; L217-K228 WeakPolarHBondContact O-CA 3.26Å
229	Q	96.3	Very high	88.1	Confident	63 Å²	63	75.2 Å²	75.2	29%	0.294	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	163	172.1	-63.5	177.4	64.5	0	0	110.2	L217 S227 F246 T247 F248	L217-Q229 PolarHBondContact N-O 3.47Å; L217-Q229 PolarHBondContact O-N 3.34Å; S227-Q229 PolarHBondContact O-N 2.85Å; Q229-F246 HydrophobicContact CB-CD1 3.91Å; Q229-F246 HydrophobicContact CB-CE1 4.41Å; Q229-T247 PolarHBondContact NE2-O 2.97Å; Q229-F248 HydrophobicContact CB-CZ 4.04Å; Q229-F248 HydrophobicContact CG-CE1 4.39Å; Q229-F248 HydrophobicContact CG-CZ 4.14Å; Q229-F248 VanDerWaalsContact NE2-CZ 3.32Å
230	K	96.4	Very high	88.2	Confident	124 Å²	124	75 Å²	75	54%	0.539	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	155.4	175.9	66	163.9	-171.4	164.7	0	113.2	Y214 V215 F246	Y214-K230 HydrophobicContact CD2-CB 4.32Å; Y214-K230 HydrophobicContact CD2-CD 4.18Å; Y214-K230 HydrophobicContact CE2-CD 4.31Å; V215-K230 CarbonylContact O-C 3.28Å; V215-K230 WeakPolarHBondContact O-CA 3.41Å; V215-K230 VanDerWaalsContact O-CB 3.29Å; V215-K230 WeakPolarHBondContact O-CB 3.21Å; K230-F246 WeakPolarHBondContact O-CE1 3.43Å
231	T	98	Very high	88.6	Confident	4 Å²	4	78 Å²	78	3%	0.025	40%	0.399	C	S	.	.			trans	-76.8	174.5	168.2	66.8	0	0	0	0	111.8	V196 V215 W242 E244 F246	V196-T231 HydrophobicContact CB-CG2 4.16Å; V196-T231 HydrophobicContact CG1-CG2 4.14Å; V196-T231 HydrophobicContact CG2-CG2 4.38Å; V215-T231 HydrophobicContact CB-CG2 3.94Å; V215-T231 HydrophobicContact CG2-CG2 4.4Å; V215-T231 PolarHBondContact N-OG1 2.78Å; V215-T231 PolarHBondContact O-N 3Å; T231-W242 VanDerWaalsContact CB-CD1 3.47Å; T231-W242 HydrophobicContact CG2-CB 4.25Å; T231-W242 HydrophobicContact CG2-CG 4.03Å; T231-W242 VanDerWaalsContact OG1-CD1 3.28Å; T231-W242 PolarHBondContact OG1-NE1 3.39Å; T231-W242 VanDerWaalsContact OG1-NE1 3.13Å; T231-E244 WeakPolarHBondContact CA-OE1 3.41Å; T231-E244 VanDerWaalsContact CB-OE1 3.29Å; T231-E244 WeakPolarHBondContact CB-OE1 3.31Å; T231-E244 HydrophobicContact CG2-CB 4.23Å; T231-F246 HydrophobicContact CG2-CE2 3.75Å; T231-F246 HydrophobicContact CG2-CZ 3.7Å
232	K	96.6	Very high	89.2	Confident	142 Å²	142	74.9 Å²	74.9	62%	0.617	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-68.5	148.3	163.9	-62.8	165.2	-164.9	169	0	110.6	I234 W242 E244	K232-I234 PolarHBondContact O-N 2.93Å; K232-W242 PolarHBondContact O-NE1 3.04Å; K232-E244 WeakPolarHBondContact CB-OE1 3.47Å; K232-E244 WeakPolarHBondContact CG-OE1 3.19Å; K232-E244 PolarHBondContact N-OE1 3.25Å
233	T	96.6	Very high	89.9	Confident	44 Å²	44	78.1 Å²	78.1	27%	0.27	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-68.6	120.9	163.7	-55.4	0	0	0	0	109.1	D212 W266	D212-T233 HydrophobicContact CB-CG2 3.85Å; D212-T233 WeakPolarHBondContact O-CG2 3.49Å; T233-W266 HydrophobicContact CG2-CB 3.64Å; T233-W266 HydrophobicContact CG2-CD2 4.47Å; T233-W266 HydrophobicContact CG2-CE3 4.41Å; T233-W266 HydrophobicContact CG2-CG 4.16Å
234	I	95.6	Very high	91.2	Very high	51 Å²	51	74.3 Å²	74.3	26%	0.262	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-90.9	137.6	164.2	-49.9	-56.7	0	0	0	106.4	D212 P213 K232 T237 P240 W242	D212-I234 CarbonylContact C-O 3.57Å; D212-I234 VanDerWaalsContact C-O 3.28Å; D212-I234 VanDerWaalsContact CA-O 3.29Å; D212-I234 WeakPolarHBondContact CA-O 3.47Å; P213-I234 WeakPolarHBondContact CD-O 3.41Å; P213-I234 PolarHBondContact O-N 3.36Å; K232-I234 PolarHBondContact O-N 2.93Å; I234-T237 HydrophobicContact CB-CG2 4.17Å; I234-T237 HydrophobicContact CG2-CG2 3.63Å; I234-P240 HydrophobicContact CB-CB 3.98Å; I234-P240 HydrophobicContact CG1-CB 3.98Å; I234-P240 HydrophobicContact CG2-CB 4.35Å; I234-W242 HydrophobicContact CG1-CG 4.4Å
235	R	94.1	Very high	92.4	Very high	167 Å²	167	71.1 Å²	71.1	63%	0.63	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-93.9	146.6	-175	-68.2	-147.4	169.6	131.3	2.8	113.9	D212 T237	D212-R235 WeakPolarHBondContact OD1-CA 3.49Å; D212-R235 WeakPolarHBondContact OD1-CB 3.46Å; D212-R235 VanDerWaalsContact OD2-CD 3.23Å; D212-R235 WeakPolarHBondContact OD2-CD 3.21Å; D212-R235 VanDerWaalsContact OD2-CG 3.25Å; D212-R235 WeakPolarHBondContact OD2-CG 3.48Å; D212-R235 IonicContact OD2-NE 3.17Å; D212-R235 PolarHBondContact OD2-NE 3.26Å; D212-R235 VanDerWaalsContact OD2-NE 3.17Å; R235-T237 PolarHBondContact O-N 3.21Å
236	S	89.7	Confident	93.4	Very high	57 Å²	57	68.8 Å²	68.8	40%	0.399	34%	0.344	S	S	.	.	S	Bend	trans	44.8	57.9	167.9	-56.1	0	0	0	0	113.1	S211 D212	S211-S236 CarbonylContact O-C 3.45Å; S211-S236 WeakPolarHBondContact O-CA 3.47Å; S211-S236 PolarHBondContact O-N 3.29Å; D212-S236 PolarHBondContact OD1-N 3.35Å
237	T	87.6	Confident	94.1	Very high	31 Å²	31	64.7 Å²	64.7	19%	0.19	33%	0.33	C	S	.	.			trans	-150.4	144.2	177.5	-175.1	0	0	0	0	112.8	S211 P213 I234 R235 N239 P240	S211-T237 PolarHBondContact O-N 3.45Å; P213-T237 WeakPolarHBondContact CD-O 3.44Å; P213-T237 HydrophobicContact CG-CG2 4.19Å; I234-T237 HydrophobicContact CB-CG2 4.17Å; I234-T237 HydrophobicContact CG2-CG2 3.63Å; R235-T237 PolarHBondContact O-N 3.21Å; T237-N239 PolarHBondContact OG1-N 2.87Å; T237-N239 PolarHBondContact OG1-O 3.33Å; T237-P240 HydrophobicContact CG2-CB 3.81Å
238	L	81.3	Confident	94.4	Very high	35 Å²	35	63.8 Å²	63.8	18%	0.183	32%	0.322	C	S	.	.	S	Bend	trans	-96.9	-3.1	168.2	-55.2	-174.9	0	0	0	112.6	N201 L202 P204 L210	N201-L238 PolarHBondContact N-O 2.85Å; L202-L238 HydrophobicContact CB-CB 4.45Å; L202-L238 WeakPolarHBondContact CB-O 3.21Å; L202-L238 WeakPolarHBondContact CG-O 3.49Å; L202-L238 PolarHBondContact N-O 2.86Å; L202-L238 WeakPolarHBondContact O-CD2 3.44Å; P204-L238 HydrophobicContact CB-CD1 4.37Å; P204-L238 HydrophobicContact CB-CD2 4.11Å; L210-L238 HydrophobicContact CD2-CG 4.22Å
239	N	89.1	Confident	94.3	Very high	81 Å²	81	60.4 Å²	60.4	43%	0.433	31%	0.314	S	S	.	.	S	Bend	trans	-131.6	66.5	-180	-56.7	-77.2	0	0	0	110	A199 R200 N201 T237	A199-N239 CarbonylContact O-C 3.5Å; A199-N239 WeakPolarHBondContact O-CA 3.27Å; R200-N239 WeakPolarHBondContact CA-OD1 3.31Å; R200-N239 WeakPolarHBondContact CB-OD1 3.45Å; N201-N239 PolarHBondContact N-OD1 3.36Å; T237-N239 PolarHBondContact OG1-N 2.87Å; T237-N239 PolarHBondContact OG1-O 3.33Å
240	P	95.2	Very high	93.8	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.302	C	S	.	.			trans	-73.9	146.7	-177.6	31.2	-37.7	0	0	0	112.8	E198 A199 L202 P213 I234 T237 W242	E198-P240 CarbonylContact C-O 3.34Å; E198-P240 WeakPolarHBondContact CA-O 3.35Å; E198-P240 WeakPolarHBondContact CB-O 3.48Å; A199-P240 HydrophobicContact CB-CG 3.97Å; A199-P240 PolarHBondContact N-O 2.98Å; A199-P240 WeakPolarHBondContact O-CD 3.26Å; L202-P240 HydrophobicContact CD1-CG 3.66Å; P213-P240 HydrophobicContact CB-CG 4.23Å; P213-P240 HydrophobicContact CG-CB 3.73Å; P213-P240 HydrophobicContact CG-CG 3.62Å; I234-P240 HydrophobicContact CB-CB 3.98Å; I234-P240 HydrophobicContact CG1-CB 3.98Å; I234-P240 HydrophobicContact CG2-CB 4.35Å; T237-P240 HydrophobicContact CG2-CB 3.81Å; P240-W242 HydrophobicContact CB-CD2 4.44Å; P240-W242 HydrophobicContact CB-CH2 3.92Å; P240-W242 HydrophobicContact CB-CZ2 3.78Å; P240-W242 HydrophobicContact CB-CZ3 4.27Å; P240-W242 HydrophobicContact CG-CE3 4.4Å; P240-W242 HydrophobicContact CG-CH2 3.24Å; P240-W242 HydrophobicContact CG-CZ2 3.57Å; P240-W242 HydrophobicContact CG-CZ3 3.71Å
241	V	97.2	Very high	92.9	Very high	77 Å²	77	59 Å²	59	47%	0.467	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	118.8	171.9	-175	0	0	0	0	108.3	E198 N243	E198-V241 HydrophobicContact CB-CB 4.42Å; E198-V241 HydrophobicContact CB-CG1 4.43Å; E198-V241 HydrophobicContact CB-CG2 3.98Å; V241-N243 VanDerWaalsContact CG1-ND2 3.3Å; V241-N243 WeakPolarHBondContact CG1-ND2 3.37Å
242	W	97.6	Very high	91.4	Very high	20 Å²	20	62.3 Å²	62.3	8%	0.076	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-50.7	179.7	-63.2	-80.1	0	0	0	111.7	I181 V196 R197 A199 P213 V215 T231 K232 I234 P240 E244 V263	I181-W242 HydrophobicContact CD1-CZ3 4.35Å; V196-W242 HydrophobicContact CG1-CB 4.44Å; V196-W242 HydrophobicContact CG1-CD2 4.14Å; V196-W242 HydrophobicContact CG1-CE3 3.62Å; V196-W242 HydrophobicContact CG1-CZ3 4.17Å; R197-W242 PolarHBondContact O-N 3.34Å; A199-W242 HydrophobicContact CB-CH2 4Å; A199-W242 HydrophobicContact CB-CZ3 3.74Å; P213-W242 HydrophobicContact CB-CZ2 4.14Å; P213-W242 HydrophobicContact CG-CZ2 4.46Å; V215-W242 HydrophobicContact CG2-CD2 4.11Å; V215-W242 HydrophobicContact CG2-CE3 4Å; V215-W242 HydrophobicContact CG2-CH2 3.38Å; V215-W242 HydrophobicContact CG2-CZ2 3.54Å; V215-W242 HydrophobicContact CG2-CZ3 3.64Å; T231-W242 VanDerWaalsContact CB-CD1 3.47Å; T231-W242 HydrophobicContact CG2-CB 4.25Å; T231-W242 HydrophobicContact CG2-CG 4.03Å; T231-W242 VanDerWaalsContact OG1-CD1 3.28Å; T231-W242 PolarHBondContact OG1-NE1 3.39Å; T231-W242 VanDerWaalsContact OG1-NE1 3.13Å; K232-W242 PolarHBondContact O-NE1 3.04Å; I234-W242 HydrophobicContact CG1-CG 4.4Å; P240-W242 HydrophobicContact CB-CD2 4.44Å; P240-W242 HydrophobicContact CB-CH2 3.92Å; P240-W242 HydrophobicContact CB-CZ2 3.78Å; P240-W242 HydrophobicContact CB-CZ3 4.27Å; P240-W242 HydrophobicContact CG-CE3 4.4Å; P240-W242 HydrophobicContact CG-CH2 3.24Å; P240-W242 HydrophobicContact CG-CZ2 3.57Å; P240-W242 HydrophobicContact CG-CZ3 3.71Å; W242-E244 HydrophobicContact CB-CG 4.33Å; W242-E244 PolarHBondContact O-N 2.86Å; W242-V263 HydrophobicContact CH2-CG1 4.48Å
243	N	96.1	Very high	89.6	Confident	102 Å²	102	61.8 Å²	61.8	55%	0.545	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	49.6	33.6	-169.6	-67.8	-44	0	0	0	114	V196 R197 V241	V196-N243 CarbonylContact O-C 3.54Å; V196-N243 VanDerWaalsContact O-CA 3.22Å; V196-N243 WeakPolarHBondContact O-CA 3.48Å; V196-N243 PolarHBondContact O-N 3.23Å; R197-N243 WeakPolarHBondContact CA-OD1 3.39Å; R197-N243 PolarHBondContact O-N 2.78Å; V241-N243 VanDerWaalsContact CG1-ND2 3.3Å; V241-N243 WeakPolarHBondContact CG1-ND2 3.37Å
244	E	97.8	Very high	88.4	Confident	38 Å²	38	61.3 Å²	61.3	18%	0.178	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	143.8	-179.8	-68	-174.9	-102	0	0	111	T195 V196 T231 K232 W242 F246	T195-E244 WeakPolarHBondContact CA-O 3.36Å; V196-E244 PolarHBondContact N-O 3.44Å; V196-E244 PolarHBondContact O-N 2.8Å; V196-E244 VanDerWaalsContact O-N 3.11Å; T231-E244 WeakPolarHBondContact CA-OE1 3.41Å; T231-E244 VanDerWaalsContact CB-OE1 3.29Å; T231-E244 WeakPolarHBondContact CB-OE1 3.31Å; T231-E244 HydrophobicContact CG2-CB 4.23Å; K232-E244 WeakPolarHBondContact CB-OE1 3.47Å; K232-E244 WeakPolarHBondContact CG-OE1 3.19Å; K232-E244 PolarHBondContact N-OE1 3.25Å; W242-E244 HydrophobicContact CB-CG 4.33Å; W242-E244 PolarHBondContact O-N 2.86Å; E244-F246 HydrophobicContact CB-CE2 3.76Å; E244-F246 HydrophobicContact CB-CZ 3.81Å
245	S	97.2	Very high	87.4	Confident	84 Å²	84	63.5 Å²	63.5	59%	0.587	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.8	138	-177.5	-62.7	0	0	0	0	112.3	V194 T195	V194-S245 CarbonylContact O-C 3.59Å; V194-S245 VanDerWaalsContact O-CA 3.28Å; V194-S245 WeakPolarHBondContact O-CA 3.15Å; T195-S245 WeakPolarHBondContact CG2-OG 3.46Å; T195-S245 PolarHBondContact OG1-OG 3Å
246	F	97.4	Very high	86.7	Confident	21 Å²	21	61.4 Å²	61.4	9%	0.092	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	154.9	-171.8	-55	-87	0	0	0	110.1	V194 V196 L217 Q229 K230 T231 E244 F248	V194-F246 HydrophobicContact CB-CB 4.44Å; V194-F246 PolarHBondContact N-O 3.3Å; V194-F246 PolarHBondContact O-N 2.87Å; V196-F246 HydrophobicContact CG2-CD2 4.44Å; V196-F246 HydrophobicContact CG2-CE2 4.2Å; L217-F246 HydrophobicContact CD1-CB 4.04Å; L217-F246 HydrophobicContact CD1-CD1 4.38Å; L217-F246 HydrophobicContact CD1-CD2 3.29Å; L217-F246 HydrophobicContact CD1-CE2 3.8Å; L217-F246 HydrophobicContact CD1-CG 3.63Å; Q229-F246 HydrophobicContact CB-CD1 3.91Å; Q229-F246 HydrophobicContact CB-CE1 4.41Å; K230-F246 WeakPolarHBondContact O-CE1 3.43Å; T231-F246 HydrophobicContact CG2-CE2 3.75Å; T231-F246 HydrophobicContact CG2-CZ 3.7Å; E244-F246 HydrophobicContact CB-CE2 3.76Å; E244-F246 HydrophobicContact CB-CZ 3.81Å; F246-F248 HydrophobicContact CB-CE2 3.8Å
247	T	96.3	Very high	86.7	Confident	68 Å²	68	62.1 Å²	62.1	42%	0.417	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	138	177.6	-52	0	0	0	0	110	D191 I192 Y193 Q229	D191-T247 HydrophobicContact CB-CG2 3.97Å; I192-T247 CarbonylContact O-C 3.56Å; I192-T247 VanDerWaalsContact O-CA 3.31Å; I192-T247 WeakPolarHBondContact O-CA 3.38Å; Y193-T247 HydrophobicContact CD1-CG2 4.05Å; Y193-T247 HydrophobicContact CE1-CG2 3.75Å; Q229-T247 PolarHBondContact NE2-O 2.97Å
248	F	94	Very high	86.9	Confident	7 Å²	7	63.4 Å²	63.4	3%	0.031	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	119.3	-179.2	-66.9	-101.3	0	0	0	110.2	D191 I192 V194 L217 L219 S227 Q229 F246 L259	D191-F248 CarbonylContact C-O 3.58Å; D191-F248 WeakPolarHBondContact CA-O 3.46Å; I192-F248 HydrophobicContact CB-CB 4.34Å; I192-F248 PolarHBondContact N-O 2.74Å; I192-F248 PolarHBondContact O-N 2.77Å; V194-F248 HydrophobicContact CG2-CD2 3.88Å; V194-F248 HydrophobicContact CG2-CE2 3.96Å; L217-F248 HydrophobicContact CB-CE1 4.43Å; L217-F248 HydrophobicContact CB-CE2 4.14Å; L217-F248 HydrophobicContact CB-CZ 3.5Å; L217-F248 VanDerWaalsContact CB-CZ 3.5Å; L217-F248 HydrophobicContact CD1-CE2 4.26Å; L217-F248 HydrophobicContact CD1-CZ 4.37Å; L219-F248 HydrophobicContact CD1-CB 4.14Å; L219-F248 HydrophobicContact CD1-CD1 4.29Å; L219-F248 HydrophobicContact CG-CB 4.4Å; L219-F248 HydrophobicContact CG-CD1 3.94Å; L219-F248 HydrophobicContact CG-CG 4.5Å; S227-F248 WeakPolarHBondContact O-CE1 3.28Å; Q229-F248 HydrophobicContact CB-CZ 4.04Å; Q229-F248 HydrophobicContact CG-CE1 4.39Å; Q229-F248 HydrophobicContact CG-CZ 4.14Å; Q229-F248 VanDerWaalsContact NE2-CZ 3.32Å; F246-F248 HydrophobicContact CB-CE2 3.8Å; F248-L259 HydrophobicContact CD2-CD1 4.38Å; F248-L259 HydrophobicContact CE2-CD1 4.22Å; F248-L259 HydrophobicContact CZ-CD1 4.31Å
249	S	89.8	Confident	87.6	Confident	52 Å²	52	61.7 Å²	61.7	36%	0.364	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	123.4	179.3	-150.7	0	0	0	0	111.4	D191	D191-S249 VanDerWaalsContact OD1-CA 3.23Å; D191-S249 WeakPolarHBondContact OD1-CA 3.13Å; D191-S249 WeakPolarHBondContact OD1-CB 3.16Å; D191-S249 PolarHBondContact OD1-OG 2.68Å
250	V	86.6	Confident	88	Confident	6 Å²	6	58 Å²	58	4%	0.036	31%	0.31	C	S	.	.			trans	-103.5	21.7	-176	-66.3	0	0	0	0	113.3	E190 I192 L219 Q254 V282 F286	E190-V250 WeakPolarHBondContact O-CG2 3.46Å; E190-V250 PolarHBondContact O-N 2.88Å; I192-V250 HydrophobicContact CD1-CG1 3.71Å; I192-V250 HydrophobicContact CG1-CG1 4.2Å; L219-V250 HydrophobicContact CD1-CG1 3.89Å; L219-V250 HydrophobicContact CD2-CG1 4.41Å; V250-Q254 HydrophobicContact CB-CB 4.23Å; V250-V282 HydrophobicContact CB-CG1 4.23Å; V250-V282 HydrophobicContact CG1-CG1 3.97Å; V250-V282 HydrophobicContact CG1-CG2 4.24Å; V250-V282 HydrophobicContact CG2-CG1 4.3Å; V250-F286 HydrophobicContact CG2-CE2 3.81Å; V250-F286 HydrophobicContact CG2-CZ 3.85Å
251	R	77.8	Confident	88.1	Confident	152 Å²	152	58 Å²	58	57%	0.574	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.3	144.1	173.6	-72.2	-170.6	160.9	137.3	14.6	113.1	E190 Q254	E190-R251 HydrophobicContact CB-CG 4.12Å; E190-R251 HydrophobicContact CG-CG 4.48Å; E190-R251 IonicContact OE1-NE 3.71Å; E190-R251 IonicContact OE2-CZ 2.76Å; E190-R251 VanDerWaalsContact OE2-CZ 3.23Å; E190-R251 IonicContact OE2-NE 3.25Å; E190-R251 PolarHBondContact OE2-NE 3.48Å; E190-R251 IonicContact OE2-NH2 2.83Å; E190-R251 PolarHBondContact OE2-NH2 2.79Å; R251-Q254 PolarHBondContact O-NE2 2.95Å
252	G	65.3	Low	88.2	Confident	73 Å²	73	54.8 Å²	54.8	75%	0.753	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	42.5	176.1	0	0	0	0	0	114	Q254	G252-Q254 PolarHBondContact O-N 2.86Å
253	N	59.9	Low	88.1	Confident	131 Å²	131	53.8 Å²	53.8	70%	0.701	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	29.4	167.3	-148.4	57.4	0	0	0	115.9	W255	N253-W255 PolarHBondContact O-N 2.87Å; N253-W255 VanDerWaalsContact OD1-CD1 3.3Å
254	Q	71.1	Confident	88.1	Confident	34 Å²	34	50.9 Å²	50.9	16%	0.159	27%	0.268	C	S	.	.			trans	-72.8	33	-179.2	-62.4	-179.9	63.6	0	0	114.4	V250 R251 G252 D256 R257	V250-Q254 HydrophobicContact CB-CB 4.23Å; R251-Q254 PolarHBondContact O-NE2 2.95Å; G252-Q254 PolarHBondContact O-N 2.86Å; Q254-D256 VanDerWaalsContact C-N 3.28Å; Q254-D256 VanDerWaalsContact C-OD1 3.3Å; Q254-D256 PolarHBondContact O-N 2.8Å; Q254-R257 HydrophobicContact CB-CG 4.16Å; Q254-R257 WeakPolarHBondContact O-CB 3.46Å; Q254-R257 PolarHBondContact O-N 2.84Å
255	W	75.3	Confident	87.9	Confident	97 Å²	97	49.1 Å²	49.1	37%	0.367	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-20.4	-172.6	-67.3	114.4	0	0	0	114.3	N253 V282 S283 F286	N253-W255 PolarHBondContact O-N 2.87Å; N253-W255 VanDerWaalsContact OD1-CD1 3.3Å; W255-V282 HydrophobicContact CE3-CG1 3.84Å; W255-V282 HydrophobicContact CZ3-CG1 4.14Å; W255-S283 WeakPolarHBondContact O-CB 3.44Å; W255-S283 PolarHBondContact O-N 3.32Å; W255-S283 PolarHBondContact O-OG 2.83Å; W255-F286 HydrophobicContact CH2-CB 4.28Å; W255-F286 AromaticContact CH2-CD1 3.94Å; W255-F286 HydrophobicContact CH2-CD1 3.94Å; W255-F286 AromaticContact CH2-CD2 3.97Å; W255-F286 HydrophobicContact CH2-CD2 3.97Å; W255-F286 HydrophobicContact CH2-CE1 4.2Å; W255-F286 HydrophobicContact CH2-CE2 4.21Å; W255-F286 AromaticContact CH2-CG 3.81Å; W255-F286 HydrophobicContact CH2-CG 3.81Å; W255-F286 HydrophobicContact CH2-CZ 4.33Å; W255-F286 HydrophobicContact CZ3-CB 3.82Å; W255-F286 HydrophobicContact CZ3-CD1 4.2Å; W255-F286 AromaticContact CZ3-CD2 3.49Å; W255-F286 HydrophobicContact CZ3-CD2 3.49Å; W255-F286 VanDerWaalsContact CZ3-CD2 3.49Å; W255-F286 HydrophobicContact CZ3-CE2 4.01Å; W255-F286 AromaticContact CZ3-CG 3.58Å; W255-F286 HydrophobicContact CZ3-CG 3.58Å
256	D	78.7	Confident	87.7	Confident	123 Å²	123	48.8 Å²	48.8	66%	0.658	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-22.9	175.8	63.9	-38.5	0	0	0	113.5	Q254	Q254-D256 VanDerWaalsContact C-N 3.28Å; Q254-D256 VanDerWaalsContact C-OD1 3.3Å; Q254-D256 PolarHBondContact O-N 2.8Å
257	R	88.8	Confident	87	Confident	73 Å²	73	49.3 Å²	49.3	28%	0.275	25%	0.249	S	C	.	.			trans	-71.9	166.1	-175.8	-60.3	-163.1	176	-173.3	-17.9	112.9	I220 Q254 V282	I220-R257 VanDerWaalsContact O-CA 3.32Å; I220-R257 WeakPolarHBondContact O-CA 3.34Å; I220-R257 VanDerWaalsContact O-CB 3.3Å; I220-R257 WeakPolarHBondContact O-CB 3.36Å; Q254-R257 HydrophobicContact CB-CG 4.16Å; Q254-R257 WeakPolarHBondContact O-CB 3.46Å; Q254-R257 PolarHBondContact O-N 2.84Å; R257-V282 HydrophobicContact CB-CG2 4Å; R257-V282 WeakPolarHBondContact O-CB 3.46Å; R257-V282 VanDerWaalsContact O-CG2 3.32Å; R257-V282 WeakPolarHBondContact O-CG2 3.29Å; R257-V282 PolarHBondContact O-N 3.37Å
258	R	93.6	Very high	85.8	Confident	57 Å²	57	55.5 Å²	55.5	22%	0.215	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	139.8	173	-44.4	177.2	58.5	72.4	9.8	110.7	L219 I220 S260 S279 F280 E303 Y304	L219-R258 CarbonylContact C-O 3.56Å; L219-R258 WeakPolarHBondContact CA-O 3.4Å; I220-R258 HydrophobicContact CD1-CB 4.09Å; I220-R258 HydrophobicContact CG1-CB 3.74Å; I220-R258 HydrophobicContact CG1-CG 4.45Å; I220-R258 WeakPolarHBondContact CG1-O 3.17Å; I220-R258 PolarHBondContact N-O 2.95Å; I220-R258 PolarHBondContact O-N 3.05Å; R258-S260 PolarHBondContact O-N 3.07Å; R258-S279 PolarHBondContact NE-OG 3.34Å; R258-S279 VanDerWaalsContact NH2-C 3.29Å; R258-S279 PolarHBondContact NH2-O 3.2Å; R258-S279 PolarHBondContact NH2-OG 3.33Å; R258-F280 CarbonylContact C-O 3.55Å; R258-F280 WeakPolarHBondContact CA-O 3.13Å; R258-F280 WeakPolarHBondContact CB-O 3.34Å; R258-E303 WeakPolarHBondContact CD-O 3.43Å; R258-E303 PolarHBondContact NE-O 3.46Å; R258-E303 VanDerWaalsContact NE-O 3.1Å; R258-Y304 VanDerWaalsContact NH2-C 3.34Å; R258-Y304 PolarHBondContact NH2-O 2.84Å
259	L	95.9	Very high	84.2	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	113.1	162.8	174.8	65.5	0	0	0	107.9	I185 I192 V194 L219 F248 S279 F280 I285	I185-L259 HydrophobicContact CD1-CD2 4.08Å; I185-L259 HydrophobicContact CG2-CD2 3.98Å; I192-L259 HydrophobicContact CG2-CD2 4.29Å; V194-L259 HydrophobicContact CG1-CD2 4.27Å; V194-L259 HydrophobicContact CG2-CD1 4.28Å; V194-L259 HydrophobicContact CG2-CD2 3.45Å; V194-L259 VanDerWaalsContact CG2-CD2 3.45Å; L219-L259 HydrophobicContact CD2-CB 4.36Å; F248-L259 HydrophobicContact CD2-CD1 4.38Å; F248-L259 HydrophobicContact CE2-CD1 4.22Å; F248-L259 HydrophobicContact CZ-CD1 4.31Å; L259-S279 CarbonylContact O-C 3.48Å; L259-S279 WeakPolarHBondContact O-CA 3.49Å; L259-S279 WeakPolarHBondContact O-CB 3.22Å; L259-F280 PolarHBondContact N-O 3.13Å; L259-F280 PolarHBondContact O-N 2.91Å; L259-I285 HydrophobicContact CB-CD1 3.89Å; L259-I285 HydrophobicContact CD2-CD1 4.05Å
260	S	96.9	Very high	83.4	Confident	2 Å²	2	61.7 Å²	61.7	1%	0.014	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	135.9	175	164.9	0	0	0	0	110.1	L217 K218 R258	L217-S260 WeakPolarHBondContact CA-O 3.44Å; K218-S260 WeakPolarHBondContact CE-OG 3.37Å; K218-S260 PolarHBondContact N-O 2.85Å; K218-S260 PolarHBondContact O-N 2.91Å; R258-S260 PolarHBondContact O-N 3.07Å
261	V	97.8	Very high	82.9	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	112	179.8	-172.4	0	0	0	0	107.4	I181 L183 V215 L217 A277 L278 F280	I181-V261 HydrophobicContact CD1-CG1 4.33Å; L183-V261 HydrophobicContact CD1-CG1 4.3Å; L183-V261 HydrophobicContact CD1-CG2 4.19Å; L183-V261 HydrophobicContact CD2-CG1 4.48Å; V215-V261 HydrophobicContact CG1-CG1 3.63Å; L217-V261 HydrophobicContact CD2-CB 4.07Å; L217-V261 HydrophobicContact CD2-CG1 3.85Å; L217-V261 HydrophobicContact CD2-CG2 3.71Å; V261-A277 CarbonylContact O-C 3.54Å; V261-A277 VanDerWaalsContact O-CA 3.26Å; V261-A277 WeakPolarHBondContact O-CA 3.48Å; V261-L278 HydrophobicContact CB-CD2 4.21Å; V261-L278 HydrophobicContact CB-CG 4.24Å; V261-L278 HydrophobicContact CG1-CD2 4.38Å; V261-L278 PolarHBondContact N-O 3.37Å; V261-L278 PolarHBondContact O-N 3.45Å; V261-F280 HydrophobicContact CG2-CD2 4.47Å; V261-F280 HydrophobicContact CG2-CE2 4.33Å
262	E	97.6	Very high	83.2	Confident	10 Å²	10	67.4 Å²	67.4	5%	0.047	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	131	-179.5	-50.8	172.2	175.5	0	0	110.1	V215 K216 K218 W264 F274 A277	V215-E262 CarbonylContact C-O 3.45Å; V215-E262 WeakPolarHBondContact CA-O 3.26Å; K216-E262 HydrophobicContact CB-CB 4.4Å; K216-E262 VanDerWaalsContact CD-OE2 3.3Å; K216-E262 WeakPolarHBondContact CD-OE2 3.15Å; K216-E262 VanDerWaalsContact CE-OE2 3.25Å; K216-E262 WeakPolarHBondContact CE-OE2 3.35Å; K216-E262 PolarHBondContact N-O 2.76Å; K216-E262 IonicContact NZ-OE2 2.67Å; K216-E262 PolarHBondContact NZ-OE2 2.89Å; K216-E262 PolarHBondContact O-N 3.11Å; K218-E262 WeakPolarHBondContact CE-OE1 3.41Å; K218-E262 IonicContact NZ-OE1 2.66Å; K218-E262 PolarHBondContact NZ-OE1 3.2Å; E262-W264 PolarHBondContact OE2-NE1 3.33Å; E262-F274 HydrophobicContact CB-CE2 4.4Å; E262-A277 HydrophobicContact CG-CB 4.27Å
263	V	97.2	Very high	84.1	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	131.7	172.6	-170.2	0	0	0	0	109.1	I181 L202 P213 V215 W242 M275 G276 L296	I181-V263 HydrophobicContact CD1-CG2 3.95Å; L202-V263 HydrophobicContact CD1-CG1 4.23Å; L202-V263 HydrophobicContact CD2-CG1 4.38Å; P213-V263 HydrophobicContact CB-CG1 4.45Å; V215-V263 HydrophobicContact CG2-CG2 4.22Å; W242-V263 HydrophobicContact CH2-CG1 4.48Å; V263-M275 HydrophobicContact CB-CB 4.28Å; V263-M275 HydrophobicContact CG1-CB 4.23Å; V263-M275 HydrophobicContact CG1-CG 4.46Å; V263-M275 HydrophobicContact CG1-SD 3.79Å; V263-M275 WeakPolarHBondContact O-CB 3.39Å; V263-M275 PolarHBondContact O-N 2.82Å; V263-G276 PolarHBondContact N-O 2.9Å; V263-G276 PolarHBondContact O-N 2.73Å; V263-L296 HydrophobicContact CB-CD1 4.44Å; V263-L296 HydrophobicContact CB-CD2 4.44Å; V263-L296 HydrophobicContact CG2-CD1 3.96Å; V263-L296 HydrophobicContact CG2-CD2 3.58Å; V263-L296 HydrophobicContact CG2-CG 4.46Å
264	W	95.9	Very high	85.5	Confident	40 Å²	40	62 Å²	62	15%	0.152	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	145.7	-174.1	-70.4	77.5	0	0	0	110.3	P213 Y214 K216 E262 N272 F274	P213-W264 CarbonylContact C-O 3.58Å; P213-W264 WeakPolarHBondContact CA-O 3.46Å; Y214-W264 HydrophobicContact CD1-CB 4.15Å; Y214-W264 WeakPolarHBondContact CD1-O 3.14Å; Y214-W264 HydrophobicContact CE1-CB 3.5Å; Y214-W264 VanDerWaalsContact CE1-CB 3.5Å; Y214-W264 HydrophobicContact CE2-CB 3.99Å; Y214-W264 HydrophobicContact CE2-CG 4.42Å; Y214-W264 PolarHBondContact N-O 2.82Å; Y214-W264 PolarHBondContact O-N 3.09Å; Y214-W264 WeakPolarHBondContact OH-CB 3.24Å; K216-W264 VanDerWaalsContact CE-NE1 3.33Å; E262-W264 PolarHBondContact OE2-NE1 3.33Å; W264-N272 HydrophobicContact CE3-CB 4.15Å; W264-N272 VanDerWaalsContact CE3-O 3.29Å; W264-N272 VanDerWaalsContact CZ3-O 3.28Å; W264-N272 WeakPolarHBondContact CZ3-O 3.31Å; W264-F274 HydrophobicContact CD2-CB 4.5Å; W264-F274 HydrophobicContact CD2-CD2 4.3Å; W264-F274 AromaticContact CE2-CD2 3.74Å; W264-F274 HydrophobicContact CE3-CB 4.15Å; W264-F274 HydrophobicContact CH2-CB 4.02Å; W264-F274 HydrophobicContact CH2-CD2 4.18Å; W264-F274 HydrophobicContact CZ2-CB 4.37Å; W264-F274 AromaticContact CZ2-CD2 3.69Å; W264-F274 HydrophobicContact CZ2-CD2 3.69Å; W264-F274 HydrophobicContact CZ2-CG 4.48Å; W264-F274 HydrophobicContact CZ3-CB 3.91Å
265	D	93.2	Very high	86.2	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.011	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	151.1	168.6	-161.7	65.9	0	0	0	110.3	M205 S211 D212 N272 D273 M275	M205-D265 HydrophobicContact CB-CB 4.02Å; M205-D265 HydrophobicContact CG-CB 3.92Å; S211-D265 VanDerWaalsContact CA-OD1 3.28Å; S211-D265 WeakPolarHBondContact CA-OD1 3.38Å; S211-D265 WeakPolarHBondContact CB-OD1 3.33Å; S211-D265 PolarHBondContact OG-OD1 3.41Å; D212-D265 PolarHBondContact N-OD1 3.41Å; D265-N272 WeakPolarHBondContact O-CA 3.34Å; D265-N272 WeakPolarHBondContact O-CB 3.38Å; D265-D273 HydrophobicContact CB-CB 4.48Å; D265-D273 PolarHBondContact N-O 2.89Å; D265-M275 HydrophobicContact CB-CG 4.3Å; D265-M275 HydrophobicContact CB-SD 4.28Å
266	W	92.1	Very high	87	Confident	76 Å²	76	55.8 Å²	55.8	29%	0.288	26%	0.256	S	S	.	.			trans	-107.7	102	178.9	179.7	68.7	0	0	0	112.7	D212 Y214 T233 R268	D212-W266 HydrophobicContact CB-CB 4.17Å; D212-W266 WeakPolarHBondContact O-CB 3.2Å; D212-W266 PolarHBondContact O-N 3.23Å; Y214-W266 HydrophobicContact CD1-CB 4.05Å; Y214-W266 HydrophobicContact CE1-CB 4.21Å; T233-W266 HydrophobicContact CG2-CB 3.64Å; T233-W266 HydrophobicContact CG2-CD2 4.47Å; T233-W266 HydrophobicContact CG2-CE3 4.41Å; T233-W266 HydrophobicContact CG2-CG 4.16Å; W266-R268 HydrophobicContact CH2-CB 3.67Å; W266-R268 HydrophobicContact CH2-CG 3.84Å; W266-R268 HydrophobicContact CZ2-CB 4.28Å; W266-R268 HydrophobicContact CZ2-CG 4.49Å; W266-R268 HydrophobicContact CZ3-CB 4.01Å
267	D	83.6	Confident	87.7	Confident	32 Å²	32	50 Å²	50	17%	0.171	23%	0.226	C	C	.	.			trans	-77.4	135.1	170.8	-77.3	-90.3	0	0	0	113.4	S270 N272 D273	D267-S270 WeakPolarHBondContact OD1-CB 3.46Å; D267-S270 PolarHBondContact OD1-OG 2.64Å; D267-N272 VanDerWaalsContact OD2-CA 3.25Å; D267-N272 WeakPolarHBondContact OD2-CA 3.19Å; D267-N272 PolarHBondContact OD2-N 3.27Å; D267-D273 PolarHBondContact OD2-N 3.43Å
268	R	71.6	Confident	88	Confident	199 Å²	199	46.6 Å²	46.6	75%	0.751	21%	0.213	S	C	*	.	S	Bend	trans	-81.6	-21.3	168	-170.4	171.3	61.6	84.9	2.8	113.5	W266	W266-R268 HydrophobicContact CH2-CB 3.67Å; W266-R268 HydrophobicContact CH2-CG 3.84Å; W266-R268 HydrophobicContact CZ2-CB 4.28Å; W266-R268 HydrophobicContact CZ2-CG 4.49Å; W266-R268 HydrophobicContact CZ3-CB 4.01Å
269	T	58.7	Low	88	Confident	117 Å²	117	43.9 Å²	43.9	72%	0.718	20%	0.202	S	C	*	.	S	Bend	trans	-135.3	-3.9	-168.9	44.8	0	0	0	0	114.8
270	S	73.1	Confident	87.9	Confident	72 Å²	72	43.9 Å²	43.9	50%	0.503	20%	0.202	S	C	.	.	S	Bend	trans	-124.1	-169.9	-173.4	-22.3	0	0	0	0	110	D267	D267-S270 WeakPolarHBondContact OD1-CB 3.46Å; D267-S270 PolarHBondContact OD1-OG 2.64Å
271	R	77	Confident	87.5	Confident	231 Å²	231	44.3 Å²	44.3	87%	0.872	21%	0.208	S	C	*	.			trans	-88.8	124.8	159.1	-66.3	-179.9	-179.3	-179.8	0.1	107.5	D273	R271-D273 PolarHBondContact O-N 2.56Å
272	N	84.6	Confident	87.2	Confident	47 Å²	47	44.3 Å²	44.3	25%	0.251	21%	0.208	S	C	.	.			trans	-33.7	115.9	169.7	-64	27	0	0	0	112.2	Y214 W264 D265 D267	Y214-N272 VanDerWaalsContact CE1-ND2 3.31Å; Y214-N272 WeakPolarHBondContact CE1-ND2 3.12Å; Y214-N272 PolarHBondContact OH-ND2 2.87Å; W264-N272 HydrophobicContact CE3-CB 4.15Å; W264-N272 VanDerWaalsContact CE3-O 3.29Å; W264-N272 VanDerWaalsContact CZ3-O 3.28Å; W264-N272 WeakPolarHBondContact CZ3-O 3.31Å; D265-N272 WeakPolarHBondContact O-CA 3.34Å; D265-N272 WeakPolarHBondContact O-CB 3.38Å; D267-N272 VanDerWaalsContact OD2-CA 3.25Å; D267-N272 WeakPolarHBondContact OD2-CA 3.19Å; D267-N272 PolarHBondContact OD2-N 3.27Å
273	D	83.1	Confident	86.6	Confident	60 Å²	60	45.7 Å²	45.7	32%	0.321	22%	0.218	S	C	.	.			trans	-73.8	148.3	177.2	-106.6	-30.5	0	0	0	112	R96 M205 D265 D267 R271	R96-D273 IonicContact NH1-OD1 3.71Å; R96-D273 IonicContact NH1-OD2 3.16Å; R96-D273 PolarHBondContact NH1-OD2 3.32Å; R96-D273 VanDerWaalsContact NH1-OD2 3.16Å; M205-D273 HydrophobicContact CG-CB 4.49Å; D265-D273 HydrophobicContact CB-CB 4.48Å; D265-D273 PolarHBondContact N-O 2.89Å; D267-D273 PolarHBondContact OD2-N 3.43Å; R271-D273 PolarHBondContact O-N 2.56Å
274	F	89.3	Confident	86	Confident	31 Å²	31	47.8 Å²	47.8	14%	0.136	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	126.9	-179.2	172	-96	0	0	0	111	M205 E262 W264 A277 Q299	M205-F274 VanDerWaalsContact CE-O 3.32Å; M205-F274 WeakPolarHBondContact CE-O 3.15Å; E262-F274 HydrophobicContact CB-CE2 4.4Å; W264-F274 HydrophobicContact CD2-CB 4.5Å; W264-F274 HydrophobicContact CD2-CD2 4.3Å; W264-F274 AromaticContact CE2-CD2 3.74Å; W264-F274 HydrophobicContact CE3-CB 4.15Å; W264-F274 HydrophobicContact CH2-CB 4.02Å; W264-F274 HydrophobicContact CH2-CD2 4.18Å; W264-F274 HydrophobicContact CZ2-CB 4.37Å; W264-F274 AromaticContact CZ2-CD2 3.69Å; W264-F274 HydrophobicContact CZ2-CD2 3.69Å; W264-F274 HydrophobicContact CZ2-CG 4.48Å; W264-F274 HydrophobicContact CZ3-CB 3.91Å; F274-A277 HydrophobicContact CE2-CB 3.91Å; F274-A277 HydrophobicContact CZ-CB 3.69Å; F274-Q299 HydrophobicContact CD1-CB 4.26Å; F274-Q299 HydrophobicContact CE1-CB 3.65Å; F274-Q299 HydrophobicContact CE1-CG 4.4Å; F274-Q299 HydrophobicContact CE2-CB 4.22Å; F274-Q299 HydrophobicContact CE2-CG 4.1Å; F274-Q299 HydrophobicContact CZ-CB 3.61Å; F274-Q299 HydrophobicContact CZ-CG 3.98Å
275	M	86.6	Confident	85.8	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-55	-178.8	-49.7	-177.8	88.6	0	0	111.3	R178 L202 M203 M205 S211 P213 V263 D265	R178-M275 WeakPolarHBondContact CD-O 3.45Å; R178-M275 PolarHBondContact NH1-O 3.23Å; L202-M275 HydrophobicContact CB-CE 3.92Å; L202-M275 HydrophobicContact CD1-CE 4.14Å; L202-M275 HydrophobicContact CD1-SD 4.32Å; M203-M275 WeakPolarHBondContact CE-O 3.28Å; M203-M275 WeakPolarHBondContact O-CE 3.46Å; M205-M275 HydrophobicContact CE-CB 4.2Å; M205-M275 HydrophobicContact CE-CG 3.93Å; M205-M275 HydrophobicContact CG-CE 4.25Å; M205-M275 HydrophobicContact CG-CG 4.46Å; S211-M275 WeakPolarHBondContact OG-CE 3.21Å; P213-M275 HydrophobicContact CB-SD 3.89Å; V263-M275 HydrophobicContact CB-CB 4.28Å; V263-M275 HydrophobicContact CG1-CB 4.23Å; V263-M275 HydrophobicContact CG1-CG 4.46Å; V263-M275 HydrophobicContact CG1-SD 3.79Å; V263-M275 WeakPolarHBondContact O-CB 3.39Å; V263-M275 PolarHBondContact O-N 2.82Å; D265-M275 HydrophobicContact CB-CG 4.3Å; D265-M275 HydrophobicContact CB-SD 4.28Å
276	G	90.9	Very high	85.7	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.2	166.6	179.4	0	0	0	0	0	113	V263 L297	V263-G276 PolarHBondContact N-O 2.9Å; V263-G276 PolarHBondContact O-N 2.73Å; G276-L297 VanDerWaalsContact CA-O 3.23Å; G276-L297 WeakPolarHBondContact CA-O 3.26Å
277	A	94.6	Very high	85.4	Confident	2 Å²	2	54.5 Å²	54.5	2%	0.017	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	165.7	-178.1	0	0	0	0	0	113.5	V261 E262 F274 L297	V261-A277 CarbonylContact O-C 3.54Å; V261-A277 VanDerWaalsContact O-CA 3.26Å; V261-A277 WeakPolarHBondContact O-CA 3.48Å; E262-A277 HydrophobicContact CG-CB 4.27Å; F274-A277 HydrophobicContact CE2-CB 3.91Å; F274-A277 HydrophobicContact CZ-CB 3.69Å; A277-L297 PolarHBondContact N-O 3.29Å; A277-L297 WeakPolarHBondContact O-CB 3.43Å; A277-L297 PolarHBondContact O-N 2.9Å
278	L	95.3	Very high	85.6	Confident	0 Å²	0	60 Å²	60	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	170.3	161.9	66.9	146.5	0	0	0	110.7	I181 L183 V261 F280 F294 L296 G302 Y305 N306	I181-L278 HydrophobicContact CG2-CD2 3.55Å; L183-L278 HydrophobicContact CD1-CD1 4.1Å; L183-L278 HydrophobicContact CD1-CD2 4.5Å; V261-L278 HydrophobicContact CB-CD2 4.21Å; V261-L278 HydrophobicContact CB-CG 4.24Å; V261-L278 HydrophobicContact CG1-CD2 4.38Å; V261-L278 PolarHBondContact N-O 3.37Å; V261-L278 PolarHBondContact O-N 3.45Å; L278-F280 HydrophobicContact CD1-CD2 4.47Å; L278-F280 HydrophobicContact CD1-CE1 4.35Å; L278-F280 HydrophobicContact CD1-CE2 3.43Å; L278-F280 VanDerWaalsContact CD1-CE2 3.43Å; L278-F280 HydrophobicContact CD1-CZ 3.37Å; L278-F280 HydrophobicContact CG-CE2 4.27Å; L278-F294 HydrophobicContact CD1-CB 3.58Å; L278-F294 HydrophobicContact CD1-CD1 4.12Å; L278-F294 HydrophobicContact CD1-CG 3.82Å; L278-L296 HydrophobicContact CD2-CD2 3.82Å; L278-G302 CarbonylContact C-O 3.3Å; L278-G302 WeakPolarHBondContact CA-O 3.48Å; L278-Y305 WeakPolarHBondContact CA-O 3.26Å; L278-N306 HydrophobicContact CB-CB 4.19Å; L278-N306 HydrophobicContact CD1-CB 3.68Å
279	S	93.8	Very high	86.4	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	154.8	177.9	59.1	0	0	0	0	114.2	R258 L259 G302 E303 Y304 Y305 N306	R258-S279 PolarHBondContact NE-OG 3.34Å; R258-S279 VanDerWaalsContact NH2-C 3.29Å; R258-S279 PolarHBondContact NH2-O 3.2Å; R258-S279 PolarHBondContact NH2-OG 3.33Å; L259-S279 CarbonylContact O-C 3.48Å; L259-S279 WeakPolarHBondContact O-CA 3.49Å; L259-S279 WeakPolarHBondContact O-CB 3.22Å; S279-G302 WeakPolarHBondContact CB-O 3.17Å; S279-G302 PolarHBondContact N-O 3.4Å; S279-G302 PolarHBondContact OG-O 3.01Å; S279-E303 PolarHBondContact OG-O 2.93Å; S279-Y304 PolarHBondContact OG-N 3.23Å; S279-Y305 PolarHBondContact N-O 3.34Å; S279-Y305 CarbonylContact O-C 3.5Å; S279-Y305 PolarHBondContact OG-N 2.94Å; S279-N306 WeakPolarHBondContact O-CB 3.42Å; S279-N306 PolarHBondContact O-ND2 2.88Å
280	F	93.7	Very high	88	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	138.6	-180	-58.8	-83.8	0	0	0	109.9	L183 I185 R258 L259 V261 L278 I285 I290 F294 N306	L183-F280 HydrophobicContact CD1-CE2 3.67Å; L183-F280 HydrophobicContact CD1-CZ 4.03Å; I185-F280 HydrophobicContact CD1-CD2 3.4Å; I185-F280 VanDerWaalsContact CD1-CD2 3.4Å; I185-F280 HydrophobicContact CD1-CE2 3.33Å; I185-F280 HydrophobicContact CD1-CG 4.06Å; I185-F280 HydrophobicContact CD1-CZ 3.92Å; R258-F280 CarbonylContact C-O 3.55Å; R258-F280 WeakPolarHBondContact CA-O 3.13Å; R258-F280 WeakPolarHBondContact CB-O 3.34Å; L259-F280 PolarHBondContact N-O 3.13Å; L259-F280 PolarHBondContact O-N 2.91Å; V261-F280 HydrophobicContact CG2-CD2 4.47Å; V261-F280 HydrophobicContact CG2-CE2 4.33Å; L278-F280 HydrophobicContact CD1-CD2 4.47Å; L278-F280 HydrophobicContact CD1-CE1 4.35Å; L278-F280 HydrophobicContact CD1-CE2 3.43Å; L278-F280 VanDerWaalsContact CD1-CE2 3.43Å; L278-F280 HydrophobicContact CD1-CZ 3.37Å; L278-F280 HydrophobicContact CG-CE2 4.27Å; F280-I285 HydrophobicContact CB-CD1 3.85Å; F280-I285 HydrophobicContact CB-CG1 3.98Å; F280-I290 HydrophobicContact CB-CD1 4.39Å; F280-I290 HydrophobicContact CD1-CD1 3.51Å; F280-I290 HydrophobicContact CD1-CG2 4.37Å; F280-I290 HydrophobicContact CE1-CD1 4.02Å; F280-I290 HydrophobicContact CE1-CG2 3.8Å; F280-I290 HydrophobicContact CG-CD1 4.13Å; F280-I290 HydrophobicContact CZ-CG2 4.31Å; F280-F294 HydrophobicContact CE1-CD1 4.05Å; F280-F294 AromaticContact CE1-CE1 3.63Å; F280-F294 HydrophobicContact CE1-CE1 3.63Å; F280-F294 HydrophobicContact CE1-CE2 4.42Å; F280-F294 AromaticContact CE1-CZ 3.86Å; F280-F294 HydrophobicContact CE1-CZ 3.86Å; F280-F294 AromaticContact CZ-CD1 3.91Å; F280-F294 HydrophobicContact CZ-CD1 3.91Å; F280-F294 HydrophobicContact CZ-CD2 4.1Å; F280-F294 AromaticContact CZ-CE1 3.86Å; F280-F294 HydrophobicContact CZ-CE1 3.86Å; F280-F294 HydrophobicContact CZ-CE2 4.06Å; F280-F294 HydrophobicContact CZ-CG 4.06Å; F280-F294 AromaticContact CZ-CZ 3.96Å; F280-F294 HydrophobicContact CZ-CZ 3.96Å; F280-N306 HydrophobicContact CD1-CB 4.11Å; F280-N306 VanDerWaalsContact CD1-ND2 3.32Å; F280-N306 WeakPolarHBondContact CD1-ND2 3.44Å; F280-N306 HydrophobicContact CE1-CB 3.7Å; F280-N306 WeakPolarHBondContact CE1-OD1 3.36Å; F280-N306 HydrophobicContact CZ-CB 4.02Å
281	G	88.8	Confident	89	Confident	12 Å²	12	51.2 Å²	51.2	12%	0.124	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	139	175.2	0	0	0	0	0	111.4	S283 E284 I285	G281-S283 VanDerWaalsContact C-N 3.27Å; G281-S283 PolarHBondContact O-N 3.05Å; G281-E284 WeakPolarHBondContact O-CA 3.47Å; G281-E284 VanDerWaalsContact O-CB 3.29Å; G281-E284 WeakPolarHBondContact O-CB 3.27Å; G281-E284 PolarHBondContact O-N 3.47Å; G281-I285 WeakPolarHBondContact O-CG1 3.48Å; G281-I285 PolarHBondContact O-N 3.23Å; G281-I285 VanDerWaalsContact O-N 3.11Å
282	V	89.9	Confident	89.6	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-57.9	-44.5	173.6	169.5	0	0	0	0	110.1	I192 L219 V250 W255 R257 E284 I285 F286	I192-V282 HydrophobicContact CD1-CB 4.46Å; I192-V282 HydrophobicContact CD1-CG1 4.21Å; I192-V282 HydrophobicContact CD1-CG2 3.9Å; L219-V282 HydrophobicContact CD2-CG2 3.94Å; V250-V282 HydrophobicContact CB-CG1 4.23Å; V250-V282 HydrophobicContact CG1-CG1 3.97Å; V250-V282 HydrophobicContact CG1-CG2 4.24Å; V250-V282 HydrophobicContact CG2-CG1 4.3Å; W255-V282 HydrophobicContact CE3-CG1 3.84Å; W255-V282 HydrophobicContact CZ3-CG1 4.14Å; R257-V282 HydrophobicContact CB-CG2 4Å; R257-V282 WeakPolarHBondContact O-CB 3.46Å; R257-V282 VanDerWaalsContact O-CG2 3.32Å; R257-V282 WeakPolarHBondContact O-CG2 3.29Å; R257-V282 PolarHBondContact O-N 3.37Å; V282-E284 PolarHBondContact O-N 3.46Å; V282-E284 VanDerWaalsContact O-N 3.16Å; V282-I285 PolarHBondContact O-N 3.03Å; V282-F286 HydrophobicContact CG1-CD2 4.44Å; V282-F286 HydrophobicContact CG1-CE2 4.39Å; V282-F286 WeakPolarHBondContact O-CD2 3.38Å
283	S	85.2	Confident	89.8	Confident	39 Å²	39	39.1 Å²	39.1	27%	0.273	20%	0.199	S	C	.	.	H	α-helix	trans	-60.2	-17.6	171.1	-72.9	0	0	0	0	115.6	W255 G281 R287	W255-S283 WeakPolarHBondContact O-CB 3.44Å; W255-S283 PolarHBondContact O-N 3.32Å; W255-S283 PolarHBondContact O-OG 2.83Å; G281-S283 VanDerWaalsContact C-N 3.27Å; G281-S283 PolarHBondContact O-N 3.05Å; S283-R287 VanDerWaalsContact O-CD 3.31Å; S283-R287 WeakPolarHBondContact O-CD 3.22Å; S283-R287 VanDerWaalsContact O-CG 3.28Å; S283-R287 WeakPolarHBondContact O-CG 3.47Å; S283-R287 PolarHBondContact O-NE 2.77Å
284	E	86	Confident	90.2	Very high	43 Å²	43	36.7 Å²	36.7	20%	0.201	19%	0.185	C	C	.	.	H	α-helix	trans	-86	-47.1	176.5	-172.6	-171.5	177.6	0	0	111	G281 V282 F286 R287 R288	G281-E284 WeakPolarHBondContact O-CA 3.47Å; G281-E284 VanDerWaalsContact O-CB 3.29Å; G281-E284 WeakPolarHBondContact O-CB 3.27Å; G281-E284 PolarHBondContact O-N 3.47Å; V282-E284 PolarHBondContact O-N 3.46Å; V282-E284 VanDerWaalsContact O-N 3.16Å; E284-F286 PolarHBondContact O-N 3.17Å; E284-F286 VanDerWaalsContact O-N 3.17Å; E284-R287 PolarHBondContact O-N 3.32Å; E284-R288 PolarHBondContact O-N 2.79Å; E284-R288 IonicContact OE1-CZ 3.89Å; E284-R288 IonicContact OE1-NE 2.93Å; E284-R288 PolarHBondContact OE1-NE 3.3Å; E284-R288 IonicContact OE1-NH2 2.7Å; E284-R288 PolarHBondContact OE1-NH2 3.2Å
285	I	91.8	Very high	90	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-56.7	-30.8	-177.8	-69.9	164.8	0	0	0	113	I185 G187 I192 L259 F280 G281 V282 R288 I290	I185-I285 HydrophobicContact CG2-CD1 3.96Å; I185-I285 HydrophobicContact CG2-CG1 3.98Å; I185-I285 HydrophobicContact CG2-CG2 3.86Å; G187-I285 VanDerWaalsContact N-CG2 3.31Å; G187-I285 PolarHBondContact N-O 3.4Å; I192-I285 HydrophobicContact CD1-CD1 4Å; I192-I285 HydrophobicContact CD1-CG2 4.39Å; I192-I285 HydrophobicContact CG1-CG2 4.08Å; I192-I285 HydrophobicContact CG2-CD1 4.3Å; I192-I285 HydrophobicContact CG2-CG2 3.92Å; L259-I285 HydrophobicContact CB-CD1 3.89Å; L259-I285 HydrophobicContact CD2-CD1 4.05Å; F280-I285 HydrophobicContact CB-CD1 3.85Å; F280-I285 HydrophobicContact CB-CG1 3.98Å; G281-I285 WeakPolarHBondContact O-CG1 3.48Å; G281-I285 PolarHBondContact O-N 3.23Å; G281-I285 VanDerWaalsContact O-N 3.11Å; V282-I285 PolarHBondContact O-N 3.03Å; I285-R288 VanDerWaalsContact O-O 3.11Å; I285-I290 HydrophobicContact CG1-CD1 4.02Å
286	F	89.8	Confident	90.1	Very high	54 Å²	54	37.6 Å²	37.6	24%	0.237	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-13.3	177.3	-79.4	-97.9	0	0	0	114.1	K189 I192 V250 W255 V282 E284	K189-F286 WeakPolarHBondContact O-CE1 3.36Å; I192-F286 HydrophobicContact CD1-CE2 4.16Å; I192-F286 HydrophobicContact CG1-CD2 4.41Å; I192-F286 HydrophobicContact CG1-CE2 3.52Å; I192-F286 HydrophobicContact CG1-CZ 4.16Å; V250-F286 HydrophobicContact CG2-CE2 3.81Å; V250-F286 HydrophobicContact CG2-CZ 3.85Å; W255-F286 HydrophobicContact CH2-CB 4.28Å; W255-F286 AromaticContact CH2-CD1 3.94Å; W255-F286 HydrophobicContact CH2-CD1 3.94Å; W255-F286 AromaticContact CH2-CD2 3.97Å; W255-F286 HydrophobicContact CH2-CD2 3.97Å; W255-F286 HydrophobicContact CH2-CE1 4.2Å; W255-F286 HydrophobicContact CH2-CE2 4.21Å; W255-F286 AromaticContact CH2-CG 3.81Å; W255-F286 HydrophobicContact CH2-CG 3.81Å; W255-F286 HydrophobicContact CH2-CZ 4.33Å; W255-F286 HydrophobicContact CZ3-CB 3.82Å; W255-F286 HydrophobicContact CZ3-CD1 4.2Å; W255-F286 AromaticContact CZ3-CD2 3.49Å; W255-F286 HydrophobicContact CZ3-CD2 3.49Å; W255-F286 VanDerWaalsContact CZ3-CD2 3.49Å; W255-F286 HydrophobicContact CZ3-CE2 4.01Å; W255-F286 AromaticContact CZ3-CG 3.58Å; W255-F286 HydrophobicContact CZ3-CG 3.58Å; V282-F286 HydrophobicContact CG1-CD2 4.44Å; V282-F286 HydrophobicContact CG1-CE2 4.39Å; V282-F286 WeakPolarHBondContact O-CD2 3.38Å; E284-F286 PolarHBondContact O-N 3.17Å; E284-F286 VanDerWaalsContact O-N 3.17Å
287	R	86.9	Confident	89.7	Confident	204 Å²	204	37.9 Å²	37.9	77%	0.77	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-34.1	172.3	-67.8	171.9	-161.5	172.1	5.5	112	S283 E284	S283-R287 VanDerWaalsContact O-CD 3.31Å; S283-R287 WeakPolarHBondContact O-CD 3.22Å; S283-R287 VanDerWaalsContact O-CG 3.28Å; S283-R287 WeakPolarHBondContact O-CG 3.47Å; S283-R287 PolarHBondContact O-NE 2.77Å; E284-R287 PolarHBondContact O-N 3.32Å
288	R	85.9	Confident	88.8	Confident	148 Å²	148	38.6 Å²	38.6	56%	0.558	20%	0.197	S	C	*	.	S	Bend	trans	-147.6	137.1	-179.8	60.6	-176.9	-178.5	173.7	1.5	111	E284 I285	E284-R288 PolarHBondContact O-N 2.79Å; E284-R288 IonicContact OE1-CZ 3.89Å; E284-R288 IonicContact OE1-NE 2.93Å; E284-R288 PolarHBondContact OE1-NE 3.3Å; E284-R288 IonicContact OE1-NH2 2.7Å; E284-R288 PolarHBondContact OE1-NH2 3.2Å; I285-R288 VanDerWaalsContact O-O 3.11Å
289	P	89.5	Confident	88.1	Confident	110 Å²	110	43.9 Å²	43.9	71%	0.714	22%	0.222	S	C	*	.			trans	-64.1	144.4	163.6	30.3	-33.8	0	0	0	109.3	R186	R186-P289 HydrophobicContact CB-CB 4.3Å
290	I	92.5	Very high	86.8	Confident	13 Å²	13	49.3 Å²	49.3	7%	0.067	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125.1	-175.3	-54.8	-179.9	0	0	0	107.5	T184 I185 F280 I285 F294	T184-I290 CarbonylContact C-O 3.52Å; T184-I290 WeakPolarHBondContact CA-O 3.29Å; I185-I290 HydrophobicContact CB-CB 4.23Å; I185-I290 PolarHBondContact N-O 3.45Å; I185-I290 PolarHBondContact O-N 3.33Å; F280-I290 HydrophobicContact CB-CD1 4.39Å; F280-I290 HydrophobicContact CD1-CD1 3.51Å; F280-I290 HydrophobicContact CD1-CG2 4.37Å; F280-I290 HydrophobicContact CE1-CD1 4.02Å; F280-I290 HydrophobicContact CE1-CG2 3.8Å; F280-I290 HydrophobicContact CG-CD1 4.13Å; F280-I290 HydrophobicContact CZ-CG2 4.31Å; I285-I290 HydrophobicContact CG1-CD1 4.02Å; I290-F294 HydrophobicContact CG2-CE1 4.32Å; I290-F294 HydrophobicContact CG2-CE2 3.9Å; I290-F294 HydrophobicContact CG2-CZ 3.39Å
291	C	93.2	Very high	85.5	Confident	80 Å²	80	53.8 Å²	53.8	54%	0.541	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	136.7	178.2	-172.3	0	0	0	0	110.3	L183 T184	L183-C291 WeakPolarHBondContact O-CA 3.15Å; T184-C291 HydrophobicContact CG2-CB 4.3Å; T184-C291 PolarHBondContact OG1-SG 3.03Å
292	G	89.7	Confident	85.1	Confident	18 Å²	18	53.2 Å²	53.2	19%	0.186	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	133.9	-164.6	176.7	0	0	0	0	0	112.7	H182 L183 F294	H182-G292 WeakPolarHBondContact CA-O 3.45Å; L183-G292 PolarHBondContact N-O 3.01Å; L183-G292 PolarHBondContact O-N 3.43Å; G292-F294 WeakPolarHBondContact O-CD2 3.26Å; G292-F294 WeakPolarHBondContact O-CE2 3.03Å
293	W	90	Very high	84.8	Confident	5 Å²	5	56.6 Å²	56.6	2%	0.019	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	141.7	179.9	-67.2	103.2	0	0	0	112.7	R180 H182 E198 R200 P308 V309 D311	R180-W293 HydrophobicContact CB-CE3 4.13Å; R180-W293 HydrophobicContact CG-CD2 4.42Å; R180-W293 HydrophobicContact CG-CE3 3.54Å; R180-W293 HydrophobicContact CG-CZ3 3.68Å; H182-W293 HydrophobicContact CB-CD2 3.95Å; H182-W293 HydrophobicContact CB-CE3 3.74Å; H182-W293 HydrophobicContact CB-CH2 3.91Å; H182-W293 HydrophobicContact CB-CZ2 4.07Å; H182-W293 HydrophobicContact CB-CZ3 3.73Å; H182-W293 AromaticContact CD2-CE2 3.92Å; H182-W293 AromaticContact CD2-NE1 4Å; E198-W293 HydrophobicContact CG-CH2 3.57Å; E198-W293 HydrophobicContact CG-CZ2 4.23Å; E198-W293 HydrophobicContact CG-CZ3 4.27Å; E198-W293 WeakPolarHBondContact OE2-CH2 3.23Å; R200-W293 HydrophobicContact CB-CH2 4.4Å; R200-W293 HydrophobicContact CB-CZ3 4.41Å; R200-W293 HydrophobicContact CG-CH2 3.69Å; R200-W293 HydrophobicContact CG-CZ3 4.15Å; R200-W293 VanDerWaalsContact CZ-CZ2 3.48Å; W293-P308 CarbonylContact O-C 3.54Å; W293-P308 WeakPolarHBondContact O-CA 3.32Å; W293-V309 HydrophobicContact CB-CB 4.05Å; W293-V309 PolarHBondContact O-N 2.85Å; W293-D311 PolarHBondContact NE1-OD2 2.92Å
294	F	89.9	Confident	83.9	Confident	9 Å²	9	60.9 Å²	60.9	4%	0.039	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	140.8	173	-64.2	-89.8	0	0	0	110.9	R180 I181 L183 L278 F280 I290 G292 N306 I307 P308	R180-F294 CarbonylContact C-O 3.54Å; R180-F294 VanDerWaalsContact CA-O 3.23Å; R180-F294 WeakPolarHBondContact CA-O 3.32Å; I181-F294 HydrophobicContact CG2-CB 4.41Å; I181-F294 PolarHBondContact N-O 3.28Å; I181-F294 PolarHBondContact O-N 3.06Å; L183-F294 HydrophobicContact CB-CD2 4.38Å; L183-F294 HydrophobicContact CD1-CD2 4.38Å; L278-F294 HydrophobicContact CD1-CB 3.58Å; L278-F294 HydrophobicContact CD1-CD1 4.12Å; L278-F294 HydrophobicContact CD1-CG 3.82Å; F280-F294 HydrophobicContact CE1-CD1 4.05Å; F280-F294 AromaticContact CE1-CE1 3.63Å; F280-F294 HydrophobicContact CE1-CE1 3.63Å; F280-F294 HydrophobicContact CE1-CE2 4.42Å; F280-F294 AromaticContact CE1-CZ 3.86Å; F280-F294 HydrophobicContact CE1-CZ 3.86Å; F280-F294 AromaticContact CZ-CD1 3.91Å; F280-F294 HydrophobicContact CZ-CD1 3.91Å; F280-F294 HydrophobicContact CZ-CD2 4.1Å; F280-F294 AromaticContact CZ-CE1 3.86Å; F280-F294 HydrophobicContact CZ-CE1 3.86Å; F280-F294 HydrophobicContact CZ-CE2 4.06Å; F280-F294 HydrophobicContact CZ-CG 4.06Å; F280-F294 AromaticContact CZ-CZ 3.96Å; F280-F294 HydrophobicContact CZ-CZ 3.96Å; I290-F294 HydrophobicContact CG2-CE1 4.32Å; I290-F294 HydrophobicContact CG2-CE2 3.9Å; I290-F294 HydrophobicContact CG2-CZ 3.39Å; G292-F294 WeakPolarHBondContact O-CD2 3.26Å; G292-F294 WeakPolarHBondContact O-CE2 3.03Å; F294-N306 HydrophobicContact CD1-CB 4.08Å; F294-I307 CarbonylContact C-O 3.58Å; F294-I307 VanDerWaalsContact CA-O 3.32Å; F294-I307 WeakPolarHBondContact CA-O 3.23Å; F294-P308 HydrophobicContact CD1-CB 4.18Å; F294-P308 HydrophobicContact CE1-CB 3.82Å; F294-P308 HydrophobicContact CZ-CB 4.46Å
295	K	85.8	Confident	83	Confident	49 Å²	49	66.1 Å²	66.1	21%	0.213	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	136.8	172.6	-172.8	179.8	-172.6	166.6	0	109.5	H174 T175 L297 I307 V309	H174-K295 PolarHBondContact O-NZ 2.93Å; T175-K295 WeakPolarHBondContact O-CD 3.3Å; T175-K295 WeakPolarHBondContact O-CE 3.35Å; T175-K295 WeakPolarHBondContact O-CG 3.49Å; T175-K295 PolarHBondContact O-NZ 3.47Å; K295-L297 HydrophobicContact CB-CD2 4.15Å; K295-L297 HydrophobicContact CD-CD2 3.9Å; K295-L297 HydrophobicContact CG-CD2 3.93Å; K295-I307 HydrophobicContact CB-CB 4.21Å; K295-I307 PolarHBondContact N-O 3.42Å; K295-V309 HydrophobicContact CB-CG2 3.94Å
296	L	87.8	Confident	82.7	Confident	1 Å²	1	67.6 Å²	67.6	1%	0.005	32%	0.32	C	S	.	.			trans	-81.6	128.3	167.4	-69.2	166.5	0	0	0	109.2	R178 G179 I181 L202 V263 L278	R178-L296 HydrophobicContact CB-CB 3.98Å; R178-L296 WeakPolarHBondContact O-CD1 3.23Å; G179-L296 WeakPolarHBondContact O-CB 3.29Å; G179-L296 PolarHBondContact O-N 2.88Å; I181-L296 HydrophobicContact CB-CD2 4.35Å; I181-L296 HydrophobicContact CB-CG 4.48Å; I181-L296 HydrophobicContact CG2-CD2 3.81Å; I181-L296 HydrophobicContact CG2-CG 4.19Å; L202-L296 HydrophobicContact CD2-CD1 3.34Å; V263-L296 HydrophobicContact CB-CD1 4.44Å; V263-L296 HydrophobicContact CB-CD2 4.44Å; V263-L296 HydrophobicContact CG2-CD1 3.96Å; V263-L296 HydrophobicContact CG2-CD2 3.58Å; V263-L296 HydrophobicContact CG2-CG 4.46Å; L278-L296 HydrophobicContact CD2-CD2 3.82Å
297	L	83.3	Confident	81.9	Confident	6 Å²	6	68.9 Å²	68.9	3%	0.031	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-105.9	174.5	-174.4	-48.8	-179.1	0	0	0	110.9	R178 G276 A277 K295 E301 I307	R178-L297 WeakPolarHBondContact CD-O 3.49Å; G276-L297 VanDerWaalsContact CA-O 3.23Å; G276-L297 WeakPolarHBondContact CA-O 3.26Å; A277-L297 PolarHBondContact N-O 3.29Å; A277-L297 WeakPolarHBondContact O-CB 3.43Å; A277-L297 PolarHBondContact O-N 2.9Å; K295-L297 HydrophobicContact CB-CD2 4.15Å; K295-L297 HydrophobicContact CD-CD2 3.9Å; K295-L297 HydrophobicContact CG-CD2 3.93Å; L297-E301 HydrophobicContact CB-CB 3.73Å; L297-E301 HydrophobicContact CD1-CB 4.18Å; L297-I307 HydrophobicContact CD1-CD1 4.44Å; L297-I307 HydrophobicContact CD1-CG1 4.31Å; L297-I307 HydrophobicContact CD2-CD1 3.83Å; L297-I307 HydrophobicContact CD2-CG1 4.2Å
298	A	76.4	Confident	81.4	Confident	18 Å²	18	63.4 Å²	63.4	15%	0.149	32%	0.319	C	S	.	.			trans	-61.6	168.6	166.7	0	0	0	0	0	111.4	D300 E301 G302	A298-D300 VanDerWaalsContact CB-OD1 3.24Å; A298-D300 WeakPolarHBondContact CB-OD1 3.33Å; A298-D300 PolarHBondContact O-N 3.3Å; A298-E301 HydrophobicContact CB-CB 4.37Å; A298-E301 HydrophobicContact CB-CG 4.11Å; A298-E301 WeakPolarHBondContact CB-OE2 3.4Å; A298-E301 PolarHBondContact N-OE2 2.97Å; A298-G302 PolarHBondContact O-N 2.92Å
299	Q	79.5	Confident	80.8	Confident	111 Å²	111	57.5 Å²	57.5	52%	0.519	30%	0.299	S	S	.	.	H	α-helix	trans	-66.5	-40.4	-173.2	-170.1	179	-17.3	0	0	112.5	F274 E303	F274-Q299 HydrophobicContact CD1-CB 4.26Å; F274-Q299 HydrophobicContact CE1-CB 3.65Å; F274-Q299 HydrophobicContact CE1-CG 4.4Å; F274-Q299 HydrophobicContact CE2-CB 4.22Å; F274-Q299 HydrophobicContact CE2-CG 4.1Å; F274-Q299 HydrophobicContact CZ-CB 3.61Å; F274-Q299 HydrophobicContact CZ-CG 3.98Å; Q299-E303 PolarHBondContact O-N 3.49Å
300	D	66.6	Low	79.7	Confident	113 Å²	113	57.5 Å²	57.5	60%	0.604	30%	0.299	S	S	*	.	H	α-helix	trans	-71.4	-46.7	176.7	57.8	-29.2	0	0	0	112.1	A298 G302 E303 Y304	A298-D300 VanDerWaalsContact CB-OD1 3.24Å; A298-D300 WeakPolarHBondContact CB-OD1 3.33Å; A298-D300 PolarHBondContact O-N 3.3Å; D300-G302 PolarHBondContact O-N 2.95Å; D300-E303 PolarHBondContact O-N 3.04Å; D300-Y304 WeakPolarHBondContact O-CD2 3.49Å
301	E	67.8	Low	78.2	Confident	95 Å²	95	59.2 Å²	59.2	44%	0.444	31%	0.308	S	S	.	.	H	α-helix	trans	-58.4	-48.3	172.9	-65.5	-178.9	131.9	0	0	111.6	L297 A298 E303 Y304 Y305	L297-E301 HydrophobicContact CB-CB 3.73Å; L297-E301 HydrophobicContact CD1-CB 4.18Å; A298-E301 HydrophobicContact CB-CB 4.37Å; A298-E301 HydrophobicContact CB-CG 4.11Å; A298-E301 WeakPolarHBondContact CB-OE2 3.4Å; A298-E301 PolarHBondContact N-OE2 2.97Å; E301-E303 VanDerWaalsContact C-N 3.27Å; E301-E303 PolarHBondContact O-N 3.46Å; E301-Y304 PolarHBondContact O-N 3.34Å; E301-Y304 VanDerWaalsContact O-N 3.16Å; E301-Y305 VanDerWaalsContact O-CD2 3.27Å; E301-Y305 WeakPolarHBondContact O-CD2 3.48Å; E301-Y305 PolarHBondContact O-N 2.81Å
302	G	80.4	Confident	76.1	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-67.8	-23.7	-175	0	0	0	0	0	114	L278 S279 A298 D300 Y304	L278-G302 CarbonylContact C-O 3.3Å; L278-G302 WeakPolarHBondContact CA-O 3.48Å; S279-G302 WeakPolarHBondContact CB-O 3.17Å; S279-G302 PolarHBondContact N-O 3.4Å; S279-G302 PolarHBondContact OG-O 3.01Å; A298-G302 PolarHBondContact O-N 2.92Å; D300-G302 PolarHBondContact O-N 2.95Å; G302-Y304 PolarHBondContact O-N 3.2Å
303	E	82	Confident	74.2	Confident	70 Å²	70	63.4 Å²	63.4	33%	0.327	33%	0.325	S	S	.	.	H	α-helix	trans	-65.2	-25.1	174.7	-172.4	148.5	-120.5	0	0	112.6	I220 R258 S279 Q299 D300 E301	I220-E303 HydrophobicContact CD1-CG 3.61Å; R258-E303 WeakPolarHBondContact CD-O 3.43Å; R258-E303 PolarHBondContact NE-O 3.46Å; R258-E303 VanDerWaalsContact NE-O 3.1Å; S279-E303 PolarHBondContact OG-O 2.93Å; Q299-E303 PolarHBondContact O-N 3.49Å; D300-E303 PolarHBondContact O-N 3.04Å; E301-E303 VanDerWaalsContact C-N 3.27Å; E301-E303 PolarHBondContact O-N 3.46Å
304	Y	66.3	Low	72.2	Confident	130 Å²	130	69.8 Å²	69.8	51%	0.51	36%	0.359	S	S	.	.	H	α-helix	trans	-118.4	-20	-176.3	-57.2	-73.9	0	0	0	115.2	R258 S279 D300 E301 G302	R258-Y304 VanDerWaalsContact NH2-C 3.34Å; R258-Y304 PolarHBondContact NH2-O 2.84Å; S279-Y304 PolarHBondContact OG-N 3.23Å; D300-Y304 WeakPolarHBondContact O-CD2 3.49Å; E301-Y304 PolarHBondContact O-N 3.34Å; E301-Y304 VanDerWaalsContact O-N 3.16Å; G302-Y304 PolarHBondContact O-N 3.2Å
305	Y	68.6	Low	69.7	Low	152 Å²	152	77.7 Å²	77.7	60%	0.596	40%	0.396	S	S	*	.			trans	-126.5	158.1	-171.2	-54.6	-63	0	0	0	114.2	L278 S279 E301	L278-Y305 WeakPolarHBondContact CA-O 3.26Å; S279-Y305 PolarHBondContact N-O 3.34Å; S279-Y305 CarbonylContact O-C 3.5Å; S279-Y305 PolarHBondContact OG-N 2.94Å; E301-Y305 VanDerWaalsContact O-CD2 3.27Å; E301-Y305 WeakPolarHBondContact O-CD2 3.48Å; E301-Y305 PolarHBondContact O-N 2.81Å
306	N	84.2	Confident	67.1	Low	34 Å²	34	83.9 Å²	83.9	18%	0.182	43%	0.425	C	S	.	.			trans	-134.1	142.4	159.8	63.9	90.4	0	0	0	107.7	L278 S279 F280 F294	L278-N306 HydrophobicContact CB-CB 4.19Å; L278-N306 HydrophobicContact CD1-CB 3.68Å; S279-N306 WeakPolarHBondContact O-CB 3.42Å; S279-N306 PolarHBondContact O-ND2 2.88Å; F280-N306 HydrophobicContact CD1-CB 4.11Å; F280-N306 VanDerWaalsContact CD1-ND2 3.32Å; F280-N306 WeakPolarHBondContact CD1-ND2 3.44Å; F280-N306 HydrophobicContact CE1-CB 3.7Å; F280-N306 WeakPolarHBondContact CE1-OD1 3.36Å; F280-N306 HydrophobicContact CZ-CB 4.02Å; F294-N306 HydrophobicContact CD1-CB 4.08Å
307	I	74.1	Confident	64.4	Low	81 Å²	81	89.7 Å²	89.7	42%	0.415	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	109.3	178.1	-60	-178.5	0	0	0	107.3	F294 K295 L297	F294-I307 CarbonylContact C-O 3.58Å; F294-I307 VanDerWaalsContact CA-O 3.32Å; F294-I307 WeakPolarHBondContact CA-O 3.23Å; K295-I307 HydrophobicContact CB-CB 4.21Å; K295-I307 PolarHBondContact N-O 3.42Å; L297-I307 HydrophobicContact CD1-CD1 4.44Å; L297-I307 HydrophobicContact CD1-CG1 4.31Å; L297-I307 HydrophobicContact CD2-CD1 3.83Å; L297-I307 HydrophobicContact CD2-CG1 4.2Å
308	P	76.8	Confident	61.8	Low	89 Å²	89	98.3 Å²	98.3	58%	0.578	50%	0.504	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	144.9	175.4	28.8	-33.7	0	0	0	110.5	W293 F294	W293-P308 CarbonylContact O-C 3.54Å; W293-P308 WeakPolarHBondContact O-CA 3.32Å; F294-P308 HydrophobicContact CD1-CB 4.18Å; F294-P308 HydrophobicContact CE1-CB 3.82Å; F294-P308 HydrophobicContact CZ-CB 4.46Å
309	V	71.7	Confident	59.8	Low	23 Å²	23	103.3 Å²	103.3	14%	0.139	54%	0.535	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	132.5	177.9	-175.7	0	0	0	0	108.1	W293 K295	W293-V309 HydrophobicContact CB-CB 4.05Å; W293-V309 PolarHBondContact O-N 2.85Å; K295-V309 HydrophobicContact CB-CG2 3.94Å
310	P	66.3	Low	57.4	Low	111 Å²	111	105.8 Å²	105.8	72%	0.721	55%	0.551	S	S	*	*			trans	-58	143.1	172.3	-23.1	34	0	0	0	111.1	P312	P310-P312 WeakPolarHBondContact O-CD 3.49Å
311	D	61.2	Low	55.9	Low	48 Å²	48	104.3 Å²	104.3	26%	0.257	56%	0.555	S	S	.	*			trans	-75.5	118.5	175.1	-153.8	-38.6	0	0	0	109.7	W293 D313 L314	W293-D311 PolarHBondContact NE1-OD2 2.92Å; D311-D313 PolarHBondContact O-N 2.67Å; D311-D313 PolarHBondContact OD1-N 3.18Å; D311-L314 HydrophobicContact CB-CB 4.43Å; D311-L314 HydrophobicContact CB-CD1 4.06Å; D311-L314 HydrophobicContact CB-CG 4.21Å; D311-L314 PolarHBondContact O-N 3.33Å
312	P	50.2	Low	53.9	Low	69 Å²	69	106.6 Å²	106.6	45%	0.448	58%	0.575	S	S	.	*	G	3₁₀ helix	trans	-61.1	-23.8	177.3	26.6	-37	0	0	0	112.7	P310 L314	P310-P312 WeakPolarHBondContact O-CD 3.49Å; P312-L314 PolarHBondContact O-N 2.83Å
313	D	50.2	Low	51.4	Low	117 Å²	117	112.7 Å²	112.7	63%	0.626	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-78.1	0.3	-178.8	-59.3	-37	0	0	0	112.6	R200 D311	R200-D313 IonicContact NH1-OD2 3.77Å; R200-D313 PolarHBondContact NH1-OD2 3.04Å; D311-D313 PolarHBondContact O-N 2.67Å; D311-D313 PolarHBondContact OD1-N 3.18Å
314	L	46.7	Very low	49	Very low	140 Å²	140	114.7 Å²	114.7	73%	0.733	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-117.5	20	-179	-68.2	178.3	0	0	0	114.6	D311 P312 E316	D311-L314 HydrophobicContact CB-CB 4.43Å; D311-L314 HydrophobicContact CB-CD1 4.06Å; D311-L314 HydrophobicContact CB-CG 4.21Å; D311-L314 PolarHBondContact O-N 3.33Å; P312-L314 PolarHBondContact O-N 2.83Å; L314-E316 PolarHBondContact O-N 2.89Å; L314-E316 VanDerWaalsContact O-N 3.12Å
315	Q	37.6	Very low	47.1	Very low	175 Å²	175	113.5 Å²	113.5	82%	0.818	64%	0.643	S	S	*	*			trans	-82.5	88.9	-177.8	-165.1	144.1	70.8	0	0	111.7
316	E	32.4	Very low	45.2	Very low	178 Å²	178	113.2 Å²	113.2	83%	0.832	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-60.2	137.3	178.4	-70.7	-159.2	163.6	0	0	112.4	L314 Q318	L314-E316 PolarHBondContact O-N 2.89Å; L314-E316 VanDerWaalsContact O-N 3.12Å; E316-Q318 PolarHBondContact O-N 3.49Å
317	P	31	Very low	42.7	Very low	124 Å²	124	117.7 Å²	117.7	81%	0.805	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-75.1	120	-176.7	29.5	-34.1	0	0	0	111.7
318	Q	28.3	Very low	40.9	Very low	187 Å²	187	122 Å²	122	87%	0.874	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-70.7	133.2	167.7	-65.8	-128.8	-73.7	0	0	110.7	E316	E316-Q318 PolarHBondContact O-N 3.49Å
319	P	33.7	Very low	38.5	Very low	123 Å²	123	124 Å²	124	80%	0.799	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-78.7	147.7	169.7	32.5	-33.6	0	0	0	111.7
320	D	28.8	Very low	36.4	Very low	162 Å²	162	131.1 Å²	131.1	87%	0.866	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-75.4	142.9	-174.8	-86.9	-57.1	0	0	0	115.4
321	A	36	Very low	34.5	Very low	83 Å²	83	130.1 Å²	130.1	69%	0.686	75%	0.748	S	S	*	*			trans	64.5	154.1	142.7	0	0	0	0	0	122.6
322	T	26.4	Very low	32.8	Very low	142 Å²	142	132.5 Å²	132.5	87%	0.871	77%	0.774	S	S	*	*			trans	76	118.6	162.7	5.9	0	0	0	0	119.4
323	T	27.1	Very low	32.1	Very low	128 Å²	128	135 Å²	135	79%	0.785	79%	0.79	S	S	*	*			trans	-77.3	160.2	170.6	-6	0	0	0	0	112
324	P	31.4	Very low	31.3	Very low	112 Å²	112	135.6 Å²	135.6	73%	0.727	80%	0.798	S	S	*	*				-154	151.3	77.2	40.1	-20.2	0	0	0	119.3
325	S	26.3	Very low	30.5	Very low	106 Å²	106	134.9 Å²	134.9	74%	0.741	80%	0.802	S	S	*	*			trans	61.1	143.5	147.6	54.2	0	0	0	0	123.2
326	L	29.1	Very low	30	Very low	145 Å²	145	134.8 Å²	134.8	76%	0.759	80%	0.801	S	S	*	*			trans	-70.4	164.1	174.4	-81.3	85.1	0	0	0	113.8	Q328	L326-Q328 HydrophobicContact CD2-CG 4.3Å
327	P	31.1	Very low	30.6	Very low	128 Å²	128	130 Å²	130	83%	0.831	79%	0.786	S	S	*	*				-113.8	161.7	99.8	-11.9	30.3	0	0	0	115.8
328	Q	36.4	Very low	30.5	Very low	172 Å²	172	132.8 Å²	132.8	80%	0.804	79%	0.786	S	S	*	*			trans	-83.9	161.6	171.8	-57	165.3	-39.7	0	0	111.3	L326	L326-Q328 HydrophobicContact CD2-CG 4.3Å
329	V	26.4	Very low	30.8	Very low	132 Å²	132	130.1 Å²	130.1	80%	0.8	78%	0.784	S	S	*	*			trans	-167.6	127.4	139.8	130.4	0	0	0	0	113.5
330	L	27	Very low	30.5	Very low	171 Å²	171	130.2 Å²	130.2	90%	0.895	78%	0.783	S	S	*	*			trans	55.8	165	157.1	-65.2	170.6	0	0	0	121.5
331	A	26.9	Very low	30.5	Very low	90 Å²	90	128.2 Å²	128.2	74%	0.744	78%	0.776	S	S	*	*			trans	-155.8	174	-167.9	0	0	0	0	0	112.8
332	A	26.5	Very low	30.1	Very low	98 Å²	98	132.1 Å²	132.1	81%	0.81	78%	0.784	S	S	*	*			trans	73.4	161.9	169	0	0	0	0	0	116.8
333	P	34.2	Very low	30.3	Very low	121 Å²	121	130.6 Å²	130.6	79%	0.786	78%	0.779	S	S	*	*			cis	-123.4	171.3	2	40.3	-26	0	0	0	116.4
334	V	33.7	Very low	30.5	Very low	131 Å²	131	130.7 Å²	130.7	79%	0.794	78%	0.782	S	S	*	*			trans	-97.7	147.5	170	176.5	0	0	0	0	110
335	P	29.6	Very low	30.4	Very low	124 Å²	124	131.6 Å²	131.6	81%	0.805	79%	0.786	S	S	*	*			trans	-107.7	134	164.4	35.1	-25.9	0	0	0	113.8
336	E	27.7	Very low	30.7	Very low	173 Å²	173	132.4 Å²	132.4	81%	0.808	79%	0.788	S	S	*	*			trans	-132.4	178.2	169	-98.4	-159.3	-165.4	0	0	107.6
337	P	44.5	Very low	30.7	Very low	79 Å²	79	133.1 Å²	133.1	51%	0.513	79%	0.791	S	S	.	*			cis	-138.9	172.7	-47.5	39.9	-23.7	0	0	0	114.2
338	F	30.4	Very low	30.6	Very low	182 Å²	182	132.6 Å²	132.6	80%	0.798	79%	0.788	S	S	*	*			trans	63.6	162	165.8	-47.7	-58.9	0	0	0	117.6
339	P	33.4	Very low	30.3	Very low	131 Å²	131	129.8 Å²	129.8	85%	0.851	79%	0.788	S	S	*	*				-126.7	-168.2	69.9	35	-18.9	0	0	0	114.5
340	V	28.7	Very low	30.3	Very low	125 Å²	125	129.2 Å²	129.2	76%	0.758	79%	0.788	S	S	*	*			trans	-117.9	173.6	-161.6	-172	0	0	0	0	112
341	V	26.8	Very low	30.6	Very low	120 Å²	120	126.1 Å²	126.1	73%	0.727	78%	0.778	S	S	*	*			trans	94.8	107	158.6	-166.4	0	0	0	0	117.1
342	L	28.8	Very low	30.9	Very low	164 Å²	164	127.5 Å²	127.5	86%	0.859	78%	0.779	S	S	*	*				-171.7	137.3	110.4	-98.5	175.5	0	0	0	111.5
343	S	29.5	Very low	31	Very low	110 Å²	110	130.2 Å²	130.2	77%	0.769	78%	0.779	S	S	*	*			trans	-98	157.4	178	-42.4	0	0	0	0	112
344	P	31.3	Very low	31.1	Very low	130 Å²	130	133.3 Å²	133.3	84%	0.844	78%	0.782	S	S	*	*			trans	-109.8	163.2	138.6	-11.5	30.5	0	0	0	113.4
345	T	29.3	Very low	30.8	Very low	131 Å²	131	132.2 Å²	132.2	80%	0.804	78%	0.781	S	S	*	*			trans	-87.7	160.9	-172.8	29.6	0	0	0	0	114.8
346	P	33	Very low	31.1	Very low	123 Å²	123	132.1 Å²	132.1	80%	0.799	78%	0.783	S	S	*	*			trans	-78.8	157.9	177.6	33.5	-36.1	0	0	0	113.2
347	I	28.8	Very low	31.3	Very low	160 Å²	160	126.5 Å²	126.5	82%	0.821	77%	0.772	S	S	*	*			trans	-123.6	145.3	173.7	-72.4	178.8	0	0	0	108.1
348	P	30.7	Very low	31.1	Very low	118 Å²	118	129.7 Å²	129.7	77%	0.766	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-76	150.6	-141.4	-23	35.3	0	0	0	118
349	S	29.5	Very low	31.3	Very low	113 Å²	113	124 Å²	124	79%	0.79	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-64.2	125.4	160.6	51.6	0	0	0	0	112
350	C	27	Very low	31.8	Very low	119 Å²	119	127.7 Å²	127.7	80%	0.804	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-72.3	131.5	157.9	-71.4	0	0	0	0	109.4
351	P	31.6	Very low	32.8	Very low	106 Å²	106	128.1 Å²	128.1	69%	0.688	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-72.9	139.7	173.1	30.3	-33.5	0	0	0	110.4	I353	P351-I353 PolarHBondContact O-N 3.36Å
352	P	34.1	Very low	34.6	Very low	119 Å²	119	133.1 Å²	133.1	77%	0.773	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-59.6	126.6	161.1	-19.3	32.3	0	0	0	109.2	H354	P352-H354 PolarHBondContact O-N 3.1Å
353	I	28.8	Very low	37.1	Very low	155 Å²	155	126.8 Å²	126.8	80%	0.795	76%	0.764	S	S	*	*			trans	-70.6	115.3	176.1	-65.3	173.6	0	0	0	108	P351 S355	P351-I353 PolarHBondContact O-N 3.36Å; I353-S355 VanDerWaalsContact C-N 3.28Å; I353-S355 PolarHBondContact O-N 2.8Å
354	H	35.1	Very low	39.8	Very low	186 Å²	186	122.4 Å²	122.4	86%	0.861	74%	0.736	S	S	*	*			trans	-67.4	85.6	169	-82.9	-84.7	0	0	0	110.5	P352 S356	P352-H354 PolarHBondContact O-N 3.1Å; H354-S356 VanDerWaalsContact C-N 3.33Å; H354-S356 PolarHBondContact O-N 3.37Å; H354-S356 VanDerWaalsContact O-N 3.13Å
355	S	27.2	Very low	42.5	Very low	109 Å²	109	118.5 Å²	118.5	76%	0.762	71%	0.707	S	S	*	*			trans	-78	83.6	163.3	55.8	0	0	0	0	109.5	I353 G357	I353-S355 VanDerWaalsContact C-N 3.28Å; I353-S355 PolarHBondContact O-N 2.8Å; S355-G357 PolarHBondContact O-N 3.08Å
356	S	36.8	Very low	45.3	Very low	122 Å²	122	119.2 Å²	119.2	85%	0.853	70%	0.701	S	S	*	*			trans	-67.8	100.7	177.8	55.8	0	0	0	0	111.3	H354	H354-S356 VanDerWaalsContact C-N 3.33Å; H354-S356 PolarHBondContact O-N 3.37Å; H354-S356 VanDerWaalsContact O-N 3.13Å
357	G	32.9	Very low	48	Very low	55 Å²	55	116.7 Å²	116.7	57%	0.567	68%	0.681	S	S	*	*	S	Bend	trans	-156.5	152.8	173.4	0	0	0	0	0	111.3	S355 G359	S355-G357 PolarHBondContact O-N 3.08Å; G357-G359 PolarHBondContact O-N 2.98Å
358	P	40.2	Very low	50.9	Low	146 Å²	146	109.4 Å²	109.4	95%	0.948	64%	0.643	S	S	*	*			trans	-80.2	57	-170.8	34.2	-37.5	0	0	0	113.1
359	G	34.6	Very low	53.7	Low	61 Å²	61	106.2 Å²	106.2	63%	0.629	62%	0.62	S	S	*	*			trans	-79.6	129.2	166.8	0	0	0	0	0	110.4	G357 V361	G357-G359 PolarHBondContact O-N 2.98Å; G359-V361 PolarHBondContact O-N 2.8Å; G359-V361 VanDerWaalsContact O-N 3.07Å
360	K	43.1	Very low	56.6	Low	209 Å²	209	102.8 Å²	102.8	91%	0.909	59%	0.591	S	S	*	*			trans	-61.1	112.4	171	-74.6	-174.9	174.8	-176	0	109.1	R362	K360-R362 PolarHBondContact O-N 3.45Å
361	V	49	Very low	59.3	Low	134 Å²	134	100.4 Å²	100.4	81%	0.812	57%	0.569	S	S	*	*			trans	-59.8	119.6	171.8	-179.9	0	0	0	0	107.9	G359 V363	G359-V361 PolarHBondContact O-N 2.8Å; G359-V361 VanDerWaalsContact O-N 3.07Å; V361-V363 PolarHBondContact O-N 3.22Å
362	R	65.8	Low	61.8	Low	226 Å²	226	96.4 Å²	96.4	85%	0.853	54%	0.542	S	S	*	.			trans	-100.2	83.3	-170.6	-163	-179.7	-172.4	-163.3	0.3	109.1	K360	K360-R362 PolarHBondContact O-N 3.45Å
363	V	81	Confident	64	Low	31 Å²	31	90.9 Å²	90.9	19%	0.188	51%	0.506	C	S	.	.			trans	-49.9	135.8	-179.5	-178.3	0	0	0	0	111.1	V361 D367 F368 F436 F688	V361-V363 PolarHBondContact O-N 3.22Å; V363-D367 WeakPolarHBondContact CA-OD2 3.26Å; V363-F368 HydrophobicContact CG1-CE2 3.68Å; V363-F368 HydrophobicContact CG1-CZ 4.01Å; V363-F436 HydrophobicContact CG1-CD1 4.46Å; V363-F688 HydrophobicContact CG2-CD2 4.33Å; V363-F688 HydrophobicContact CG2-CE2 4.41Å
364	G	86.4	Confident	66.4	Low	18 Å²	18	84.2 Å²	84.2	19%	0.186	47%	0.472	C	S	.	.			trans	-155.5	-173.5	-179.6	0	0	0	0	0	113.7	H366 D367 F368	G364-H366 PolarHBondContact O-N 2.8Å; G364-H366 VanDerWaalsContact O-N 3.08Å; G364-D367 PolarHBondContact N-OD2 2.86Å; G364-D367 WeakPolarHBondContact O-CB 3.35Å; G364-D367 PolarHBondContact O-N 2.87Å; G364-D367 VanDerWaalsContact O-N 3.1Å; G364-F368 WeakPolarHBondContact O-CD2 3.44Å
365	I	88.6	Confident	68.1	Low	47 Å²	47	76.1 Å²	76.1	24%	0.241	44%	0.438	C	S	.	.	G	3₁₀ helix	trans	-59	-27.5	-171.1	-163.9	179.1	0	0	0	114.1	D367 F368 F370 F436 Y443 L666	I365-D367 PolarHBondContact O-N 3.33Å; I365-F368 PolarHBondContact O-N 3.4Å; I365-F370 HydrophobicContact CD1-CE2 4.14Å; I365-F370 HydrophobicContact CG1-CE2 3.85Å; I365-F370 HydrophobicContact CG1-CZ 4.06Å; I365-F436 HydrophobicContact CB-CE2 4.11Å; I365-F436 HydrophobicContact CB-CZ 4.39Å; I365-Y443 HydrophobicContact CD1-CE1 4.14Å; I365-Y443 WeakPolarHBondContact CD1-OH 3.44Å; I365-Y443 HydrophobicContact CG1-CE1 4.31Å; I365-L666 HydrophobicContact CD1-CD1 4.06Å
366	H	87.4	Confident	69.9	Low	147 Å²	147	78.1 Å²	78.1	68%	0.681	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-75.8	-10.7	-177.8	-58.3	-50.6	0	0	0	114.1	G364 F368 R388	G364-H366 PolarHBondContact O-N 2.8Å; G364-H366 VanDerWaalsContact O-N 3.08Å; H366-F368 VanDerWaalsContact C-N 3.33Å; H366-R388 WeakPolarHBondContact O-CD 3.47Å; H366-R388 PolarHBondContact O-NE 2.69Å; H366-R388 PolarHBondContact O-NH1 3.43Å
367	D	89	Confident	71	Confident	69 Å²	69	74.6 Å²	74.6	37%	0.369	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-88.2	-3	179.8	-51.7	-42.3	0	0	0	112.2	V363 G364 I365 R388	V363-D367 WeakPolarHBondContact CA-OD2 3.26Å; G364-D367 PolarHBondContact N-OD2 2.86Å; G364-D367 WeakPolarHBondContact O-CB 3.35Å; G364-D367 PolarHBondContact O-N 2.87Å; G364-D367 VanDerWaalsContact O-N 3.1Å; I365-D367 PolarHBondContact O-N 3.33Å; D367-R388 WeakPolarHBondContact O-CB 3.28Å; D367-R388 WeakPolarHBondContact O-CG 3.44Å; D367-R388 PolarHBondContact O-N 3.01Å
368	F	90.9	Very high	72	Confident	7 Å²	7	76.6 Å²	76.6	3%	0.031	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	151.3	-175.8	-61.5	-80.7	0	0	0	113.4	V363 G364 I365 H366 A385 E386 E387 F394 F436 V445	V363-F368 HydrophobicContact CG1-CE2 3.68Å; V363-F368 HydrophobicContact CG1-CZ 4.01Å; G364-F368 WeakPolarHBondContact O-CD2 3.44Å; I365-F368 PolarHBondContact O-N 3.4Å; H366-F368 VanDerWaalsContact C-N 3.33Å; F368-A385 HydrophobicContact CB-CB 4.34Å; F368-A385 HydrophobicContact CD1-CB 4.34Å; F368-E386 CarbonylContact C-O 3.6Å; F368-E386 WeakPolarHBondContact CA-O 3.35Å; F368-E387 HydrophobicContact CD1-CB 4.48Å; F368-E387 HydrophobicContact CE1-CB 4.35Å; F368-F394 HydrophobicContact CE1-CD2 4.1Å; F368-F394 HydrophobicContact CE1-CE2 4.45Å; F368-F436 HydrophobicContact CD2-CE1 4.24Å; F368-F436 HydrophobicContact CD2-CZ 4.41Å; F368-F436 AromaticContact CE2-CE1 3.81Å; F368-F436 HydrophobicContact CE2-CE1 3.81Å; F368-F436 HydrophobicContact CE2-CZ 4.41Å; F368-V445 HydrophobicContact CE1-CG1 3.84Å; F368-V445 HydrophobicContact CE1-CG2 4.46Å; F368-V445 HydrophobicContact CE2-CG2 4.06Å; F368-V445 HydrophobicContact CZ-CB 4.44Å; F368-V445 HydrophobicContact CZ-CG1 3.86Å; F368-V445 HydrophobicContact CZ-CG2 3.86Å
369	N	88.5	Confident	73	Confident	51 Å²	51	72.6 Å²	72.6	27%	0.273	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	111.2	171.2	-70.6	-26.8	0	0	0	109.5	L371 A385 E386 R388	N369-L371 HydrophobicContact CB-CD2 4.44Å; N369-L371 PolarHBondContact O-N 3.05Å; N369-A385 CarbonylContact O-C 3.6Å; N369-A385 VanDerWaalsContact O-CA 3.27Å; N369-A385 WeakPolarHBondContact O-CA 3.42Å; N369-E386 HydrophobicContact CB-CB 4.28Å; N369-E386 PolarHBondContact N-O 2.82Å; N369-E386 PolarHBondContact ND2-OE2 2.71Å; N369-E386 PolarHBondContact O-N 3.44Å; N369-R388 PolarHBondContact OD1-NE 3.18Å; N369-R388 PolarHBondContact OD1-NH2 3.14Å
370	F	90.2	Very high	74.8	Confident	42 Å²	42	70.6 Å²	70.6	18%	0.184	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	110.5	178.5	-58.7	-58.5	0	0	0	112	I365 L383 A385 V396 Y443 S664 L666	I365-F370 HydrophobicContact CD1-CE2 4.14Å; I365-F370 HydrophobicContact CG1-CE2 3.85Å; I365-F370 HydrophobicContact CG1-CZ 4.06Å; F370-L383 HydrophobicContact CB-CD1 4.17Å; F370-L383 HydrophobicContact CD1-CB 3.93Å; F370-L383 HydrophobicContact CD1-CD1 3.53Å; F370-L383 HydrophobicContact CD1-CG 4.38Å; F370-L383 HydrophobicContact CD2-CD1 4.17Å; F370-L383 HydrophobicContact CE1-CD1 3.9Å; F370-L383 HydrophobicContact CE2-CD1 4.47Å; F370-L383 HydrophobicContact CG-CD1 3.7Å; F370-L383 HydrophobicContact CZ-CD1 4.35Å; F370-A385 HydrophobicContact CD1-CB 3.9Å; F370-A385 HydrophobicContact CE1-CB 4.2Å; F370-V396 HydrophobicContact CE1-CB 4.17Å; F370-V396 HydrophobicContact CE1-CG1 4.13Å; F370-V396 HydrophobicContact CE1-CG2 4.3Å; F370-Y443 HydrophobicContact CZ-CE1 4.42Å; F370-S664 WeakPolarHBondContact O-CB 3.43Å; F370-S664 PolarHBondContact O-OG 2.88Å; F370-L666 HydrophobicContact CE2-CD1 4.36Å
371	L	83.9	Confident	76.8	Confident	68 Å²	68	62.9 Å²	62.9	36%	0.356	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-49.6	-173	-54.6	-173.7	0	0	0	112.7	N369 L384 E386 L393	N369-L371 HydrophobicContact CB-CD2 4.44Å; N369-L371 PolarHBondContact O-N 3.05Å; L371-L384 HydrophobicContact CB-CB 4.46Å; L371-L384 HydrophobicContact CB-CD2 4.35Å; L371-L384 HydrophobicContact CB-CG 4.3Å; L371-L384 HydrophobicContact CD1-CD2 4.13Å; L371-L384 HydrophobicContact CD1-CG 4.18Å; L371-L384 PolarHBondContact N-O 3Å; L371-E386 HydrophobicContact CD1-CB 4.25Å; L371-E386 HydrophobicContact CD2-CB 4.39Å; L371-E386 HydrophobicContact CG-CB 4.43Å; L371-L393 HydrophobicContact CD1-CD2 3.9Å
372	M	83.3	Confident	78.6	Confident	23 Å²	23	58.3 Å²	58.3	11%	0.113	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	167.1	-177.5	60.7	180	74	0	0	111.7	L374 L383 L384 R650 T660	M372-L374 HydrophobicContact CG-CD2 4.37Å; M372-L374 HydrophobicContact SD-CD2 4.37Å; M372-L383 CarbonylContact O-C 3.58Å; M372-L383 WeakPolarHBondContact O-CA 3.27Å; M372-L384 HydrophobicContact CE-CD2 4.21Å; M372-L384 HydrophobicContact CG-CB 3.72Å; M372-L384 HydrophobicContact CG-CD2 4.03Å; M372-L384 PolarHBondContact O-N 2.68Å; M372-L384 HydrophobicContact SD-CD2 4.19Å; M372-R650 VanDerWaalsContact CE-O 3.27Å; M372-R650 WeakPolarHBondContact CE-O 3.2Å; M372-T660 HydrophobicContact SD-CG2 3.61Å
373	V	81.4	Confident	79.7	Confident	3 Å²	3	47.5 Å²	47.5	2%	0.018	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	128.3	168.3	-169.3	0	0	0	0	108.8	G375 K381 V382 L383 F659 T660 A662	V373-G375 VanDerWaalsContact CG1-O 3.32Å; V373-G375 WeakPolarHBondContact CG1-O 3.26Å; V373-K381 HydrophobicContact CG1-CD 4.38Å; V373-K381 HydrophobicContact CG2-CD 4.35Å; V373-V382 WeakPolarHBondContact CG1-O 3.27Å; V373-L383 HydrophobicContact CB-CD2 4.23Å; V373-L383 HydrophobicContact CG1-CD2 4.36Å; V373-L383 HydrophobicContact CG2-CD2 3.78Å; V373-F659 HydrophobicContact CB-CB 4.48Å; V373-F659 WeakPolarHBondContact CB-O 2.96Å; V373-F659 HydrophobicContact CG1-CB 4.42Å; V373-F659 CarbonylContact O-C 3.51Å; V373-F659 WeakPolarHBondContact O-CB 3.32Å; V373-T660 WeakPolarHBondContact O-CA 3.07Å; V373-T660 PolarHBondContact O-N 2.68Å; V373-A662 HydrophobicContact CB-CB 4.48Å; V373-A662 HydrophobicContact CG2-CB 4.11Å
374	L	78.7	Confident	80.1	Confident	15 Å²	15	46 Å²	46	8%	0.079	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-31.4	174.3	-64.4	175.1	0	0	0	111.7	M372 V382 L384 A395 Y448 F655	M372-L374 HydrophobicContact CG-CD2 4.37Å; M372-L374 HydrophobicContact SD-CD2 4.37Å; L374-V382 HydrophobicContact CB-CB 4.47Å; L374-V382 HydrophobicContact CB-CG1 4.25Å; L374-V382 HydrophobicContact CD1-CG1 4.35Å; L374-V382 PolarHBondContact N-O 3.47Å; L374-L384 HydrophobicContact CD1-CB 3.98Å; L374-L384 HydrophobicContact CD2-CB 4.03Å; L374-L384 HydrophobicContact CG-CB 3.92Å; L374-A395 HydrophobicContact CD1-CB 4.37Å; L374-Y448 HydrophobicContact CD1-CD2 3.97Å; L374-Y448 HydrophobicContact CD1-CE2 3.78Å; L374-Y448 HydrophobicContact CD2-CE2 4.13Å; L374-F655 HydrophobicContact CB-CD1 4.07Å; L374-F655 HydrophobicContact CB-CE1 4.15Å; L374-F655 HydrophobicContact CD1-CE1 4.41Å; L374-F655 HydrophobicContact CD2-CD1 3.81Å; L374-F655 HydrophobicContact CD2-CD2 3.95Å; L374-F655 HydrophobicContact CD2-CE1 3.93Å; L374-F655 HydrophobicContact CD2-CE2 4.08Å; L374-F655 HydrophobicContact CD2-CG 3.83Å; L374-F655 HydrophobicContact CD2-CZ 4.07Å; L374-F655 HydrophobicContact CG-CD1 4.47Å; L374-F655 HydrophobicContact CG-CE1 4.39Å
375	G	70.8	Confident	80.3	Confident	15 Å²	15	45.2 Å²	45.2	16%	0.155	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169	170.5	177.8	0	0	0	0	0	113.4	V373 V382	V373-G375 VanDerWaalsContact CG1-O 3.32Å; V373-G375 WeakPolarHBondContact CG1-O 3.26Å; G375-V382 PolarHBondContact N-O 3.05Å; G375-V382 PolarHBondContact O-N 2.87Å
376	K	65.2	Low	80.3	Confident	152 Å²	152	44.4 Å²	44.4	66%	0.661	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-140.4	124.4	176.7	-177.5	-168.2	170.8	-165.7	0	110	K381 F659	K376-K381 HydrophobicContact CG-CG 4.49Å; K376-F659 HydrophobicContact CB-CD1 4.4Å; K376-F659 HydrophobicContact CB-CE1 3.94Å
377	G	59.6	Low	80.4	Confident	48 Å²	48	39.5 Å²	39.5	50%	0.495	22%	0.222	S	C	.	.			trans	-102.2	-168.2	173.9	0	0	0	0	0	112.6	G380	G377-G380 PolarHBondContact N-O 2.94Å
378	S	53.7	Low	80.3	Confident	97 Å²	97	43 Å²	43	68%	0.678	23%	0.23	S	C	*	.	S	Bend	trans	-59.1	-53.2	171.3	43.9	0	0	0	0	111.9
379	F	61.8	Low	80	Confident	61 Å²	61	47 Å²	47	27%	0.268	27%	0.273	S	S	.	.	S	Bend	trans	-92.5	-4.9	-168.3	-48.7	-61.7	0	0	0	114.8	L399 K400 V403 L404 D409	F379-L399 HydrophobicContact CB-CD2 4.01Å; F379-K400 PolarHBondContact O-N 2.93Å; F379-V403 HydrophobicContact CD1-CG1 4.01Å; F379-L404 HydrophobicContact CB-CD2 4.32Å; F379-L404 HydrophobicContact CD1-CD2 4.48Å; F379-L404 HydrophobicContact CG-CD2 4.36Å; F379-D409 HydrophobicContact CE1-CB 4.5Å; F379-D409 WeakPolarHBondContact CE1-OD2 3.39Å; F379-D409 WeakPolarHBondContact CZ-OD2 3.39Å
380	G	73.2	Confident	79.9	Confident	20 Å²	20	46 Å²	46	21%	0.206	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.5	-169.6	-170.7	0	0	0	0	0	117.4	G377 V398	G377-G380 PolarHBondContact N-O 2.94Å; G380-V398 WeakPolarHBondContact CA-O 3.29Å
381	K	83.4	Confident	79.4	Confident	47 Å²	47	49.8 Å²	49.8	20%	0.204	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	151.6	174.7	-71.2	-175.8	177.7	-175.5	0	110.1	V373 K376 L383 V398 P663 V665	V373-K381 HydrophobicContact CG1-CD 4.38Å; V373-K381 HydrophobicContact CG2-CD 4.35Å; K376-K381 HydrophobicContact CG-CG 4.49Å; K381-L383 HydrophobicContact CB-CD2 4.45Å; K381-L383 HydrophobicContact CD-CD2 4.33Å; K381-V398 PolarHBondContact N-O 2.83Å; K381-V398 PolarHBondContact O-N 2.98Å; K381-P663 PolarHBondContact NZ-O 3.13Å; K381-V665 PolarHBondContact NZ-O 2.83Å
382	V	87	Confident	79.4	Confident	37 Å²	37	51.8 Å²	51.8	22%	0.224	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	128.5	160.8	-174	0	0	0	0	108.2	V373 L374 G375 A395 V396 K397	V373-V382 WeakPolarHBondContact CG1-O 3.27Å; L374-V382 HydrophobicContact CB-CB 4.47Å; L374-V382 HydrophobicContact CB-CG1 4.25Å; L374-V382 HydrophobicContact CD1-CG1 4.35Å; L374-V382 PolarHBondContact N-O 3.47Å; G375-V382 PolarHBondContact N-O 3.05Å; G375-V382 PolarHBondContact O-N 2.87Å; V382-A395 HydrophobicContact CG1-CB 4.34Å; V382-V396 WeakPolarHBondContact CA-O 3.48Å; V382-K397 HydrophobicContact CG2-CB 4.37Å; V382-K397 HydrophobicContact CG2-CG 4.25Å
383	L	88.8	Confident	79.7	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	141.6	-178.4	-60.9	177.8	0	0	0	110.3	F370 M372 V373 K381 V396 V398 L666	F370-L383 HydrophobicContact CB-CD1 4.17Å; F370-L383 HydrophobicContact CD1-CB 3.93Å; F370-L383 HydrophobicContact CD1-CD1 3.53Å; F370-L383 HydrophobicContact CD1-CG 4.38Å; F370-L383 HydrophobicContact CD2-CD1 4.17Å; F370-L383 HydrophobicContact CE1-CD1 3.9Å; F370-L383 HydrophobicContact CE2-CD1 4.47Å; F370-L383 HydrophobicContact CG-CD1 3.7Å; F370-L383 HydrophobicContact CZ-CD1 4.35Å; M372-L383 CarbonylContact O-C 3.58Å; M372-L383 WeakPolarHBondContact O-CA 3.27Å; V373-L383 HydrophobicContact CB-CD2 4.23Å; V373-L383 HydrophobicContact CG1-CD2 4.36Å; V373-L383 HydrophobicContact CG2-CD2 3.78Å; K381-L383 HydrophobicContact CB-CD2 4.45Å; K381-L383 HydrophobicContact CD-CD2 4.33Å; L383-V396 PolarHBondContact N-O 2.92Å; L383-V396 PolarHBondContact O-N 3.31Å; L383-V398 HydrophobicContact CD1-CG2 4.11Å; L383-L666 HydrophobicContact CD1-CD2 3.95Å
384	L	90.3	Very high	80.2	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	127.4	160.8	-178.9	59.2	0	0	0	107.8	L371 M372 L374 L393 Y448	L371-L384 HydrophobicContact CB-CB 4.46Å; L371-L384 HydrophobicContact CB-CD2 4.35Å; L371-L384 HydrophobicContact CB-CG 4.3Å; L371-L384 HydrophobicContact CD1-CD2 4.13Å; L371-L384 HydrophobicContact CD1-CG 4.18Å; L371-L384 PolarHBondContact N-O 3Å; M372-L384 HydrophobicContact CE-CD2 4.21Å; M372-L384 HydrophobicContact CG-CB 3.72Å; M372-L384 HydrophobicContact CG-CD2 4.03Å; M372-L384 PolarHBondContact O-N 2.68Å; M372-L384 HydrophobicContact SD-CD2 4.19Å; L374-L384 HydrophobicContact CD1-CB 3.98Å; L374-L384 HydrophobicContact CD2-CB 4.03Å; L374-L384 HydrophobicContact CG-CB 3.92Å; L384-L393 HydrophobicContact CD1-CB 4.18Å; L384-L393 HydrophobicContact CD1-CD2 4.33Å; L384-Y448 HydrophobicContact CD1-CD1 3.82Å; L384-Y448 HydrophobicContact CD1-CD2 3.65Å; L384-Y448 HydrophobicContact CD1-CE1 3.88Å; L384-Y448 HydrophobicContact CD1-CE2 3.73Å; L384-Y448 HydrophobicContact CD1-CG 3.69Å
385	A	90.3	Very high	80.9	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	151.3	176.5	0	0	0	0	0	111.9	F368 N369 F370 L393 F394 V396	F368-A385 HydrophobicContact CB-CB 4.34Å; F368-A385 HydrophobicContact CD1-CB 4.34Å; N369-A385 CarbonylContact O-C 3.6Å; N369-A385 VanDerWaalsContact O-CA 3.27Å; N369-A385 WeakPolarHBondContact O-CA 3.42Å; F370-A385 HydrophobicContact CD1-CB 3.9Å; F370-A385 HydrophobicContact CE1-CB 4.2Å; A385-L393 CarbonylContact O-C 3.49Å; A385-L393 WeakPolarHBondContact O-CA 3.41Å; A385-F394 PolarHBondContact N-O 3.04Å; A385-F394 PolarHBondContact O-N 2.9Å; A385-V396 HydrophobicContact CB-CG2 3.51Å
386	E	89.3	Confident	82.1	Confident	30 Å²	30	52 Å²	52	14%	0.14	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	135.6	168.5	171.1	-169.1	-103.1	0	0	108.7	F368 N369 L371 H392 L393 R650	F368-E386 CarbonylContact C-O 3.6Å; F368-E386 WeakPolarHBondContact CA-O 3.35Å; N369-E386 HydrophobicContact CB-CB 4.28Å; N369-E386 PolarHBondContact N-O 2.82Å; N369-E386 PolarHBondContact ND2-OE2 2.71Å; N369-E386 PolarHBondContact O-N 3.44Å; L371-E386 HydrophobicContact CD1-CB 4.25Å; L371-E386 HydrophobicContact CD2-CB 4.39Å; L371-E386 HydrophobicContact CG-CB 4.43Å; E386-H392 WeakPolarHBondContact CA-O 3.46Å; E386-L393 HydrophobicContact CB-CD2 4.16Å; E386-R650 IonicContact OE1-CZ 2.77Å; E386-R650 IonicContact OE1-NH1 2.71Å; E386-R650 PolarHBondContact OE1-NH1 3.1Å; E386-R650 IonicContact OE1-NH2 3.82Å; E386-R650 PolarHBondContact OE1-NH2 3.5Å
387	E	89.4	Confident	83.4	Confident	45 Å²	45	45.6 Å²	45.6	21%	0.21	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	134	173	166.1	-171.9	-121	0	0	110.4	F368 G389 S390 H392 F394 Y433	F368-E387 HydrophobicContact CD1-CB 4.48Å; F368-E387 HydrophobicContact CE1-CB 4.35Å; E387-G389 PolarHBondContact O-N 3.16Å; E387-G389 VanDerWaalsContact O-N 3.11Å; E387-S390 WeakPolarHBondContact CB-OG 3.48Å; E387-S390 WeakPolarHBondContact CG-OG 3.45Å; E387-S390 PolarHBondContact O-N 2.72Å; E387-S390 VanDerWaalsContact O-O 3.09Å; E387-S390 PolarHBondContact O-OG 3.38Å; E387-S390 WeakPolarHBondContact OE2-CB 3.32Å; E387-S390 PolarHBondContact OE2-OG 2.63Å; E387-H392 PolarHBondContact N-O 3.16Å; E387-H392 VanDerWaalsContact N-O 3.12Å; E387-H392 IonicContact OE2-CE1 2.7Å; E387-H392 IonicContact OE2-CG 2.74Å; E387-H392 IonicContact OE2-ND1 3.71Å; E387-H392 PolarHBondContact OE2-ND1 3.36Å; E387-F394 HydrophobicContact CB-CD2 4.3Å; E387-F394 HydrophobicContact CB-CE2 3.79Å; E387-Y433 PolarHBondContact OE1-OH 2.94Å
388	R	87.6	Confident	85	Confident	143 Å²	143	43.5 Å²	43.5	54%	0.54	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	112.8	-170.7	-77.7	-171.4	175.6	179.4	-11.3	113.1	H366 D367 N369	H366-R388 WeakPolarHBondContact O-CD 3.47Å; H366-R388 PolarHBondContact O-NE 2.69Å; H366-R388 PolarHBondContact O-NH1 3.43Å; D367-R388 WeakPolarHBondContact O-CB 3.28Å; D367-R388 WeakPolarHBondContact O-CG 3.44Å; D367-R388 PolarHBondContact O-N 3.01Å; N369-R388 PolarHBondContact OD1-NE 3.18Å; N369-R388 PolarHBondContact OD1-NH2 3.14Å
389	G	83.8	Confident	86.7	Confident	91 Å²	91	39.3 Å²	39.3	94%	0.938	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	95.3	3.7	179	0	0	0	0	0	113.6	E387	E387-G389 PolarHBondContact O-N 3.16Å; E387-G389 VanDerWaalsContact O-N 3.11Å
390	S	85.6	Confident	87.8	Confident	28 Å²	28	38.8 Å²	38.8	20%	0.196	22%	0.216	C	C	.	.	S	Bend	trans	-119.6	170	163.2	76.2	0	0	0	0	109.9	E387 H392	E387-S390 WeakPolarHBondContact CB-OG 3.48Å; E387-S390 WeakPolarHBondContact CG-OG 3.45Å; E387-S390 PolarHBondContact O-N 2.72Å; E387-S390 VanDerWaalsContact O-O 3.09Å; E387-S390 PolarHBondContact O-OG 3.38Å; E387-S390 WeakPolarHBondContact OE2-CB 3.32Å; E387-S390 PolarHBondContact OE2-OG 2.63Å; S390-H392 VanDerWaalsContact C-N 3.3Å; S390-H392 WeakPolarHBondContact OG-CB 3.39Å; S390-H392 PolarHBondContact OG-N 3.19Å; S390-H392 PolarHBondContact OG-ND1 2.83Å
391	D	80.1	Confident	88.5	Confident	123 Å²	123	37.9 Å²	37.9	66%	0.658	21%	0.206	S	C	*	.			trans	-92.9	9.9	171.1	-72.9	-54.7	0	0	0	112.3	R650	D391-R650 VanDerWaalsContact CB-NH2 3.28Å; D391-R650 PolarHBondContact O-NH2 3.16Å; D391-R650 IonicContact OD1-CZ 2.79Å; D391-R650 IonicContact OD1-NH1 3.86Å; D391-R650 IonicContact OD1-NH2 2.78Å; D391-R650 PolarHBondContact OD1-NH2 3.12Å
392	H	84.4	Confident	88.3	Confident	109 Å²	109	36.6 Å²	36.6	51%	0.505	20%	0.202	S	C	.	.			trans	-73.7	129.3	-173.7	-59.5	149	0	0	0	112.2	E386 E387 S390 F394	E386-H392 WeakPolarHBondContact CA-O 3.46Å; E387-H392 PolarHBondContact N-O 3.16Å; E387-H392 VanDerWaalsContact N-O 3.12Å; E387-H392 IonicContact OE2-CE1 2.7Å; E387-H392 IonicContact OE2-CG 2.74Å; E387-H392 IonicContact OE2-ND1 3.71Å; E387-H392 PolarHBondContact OE2-ND1 3.36Å; S390-H392 VanDerWaalsContact C-N 3.3Å; S390-H392 WeakPolarHBondContact OG-CB 3.39Å; S390-H392 PolarHBondContact OG-N 3.19Å; S390-H392 PolarHBondContact OG-ND1 2.83Å; H392-F394 HydrophobicContact CB-CE2 3.75Å; H392-F394 HydrophobicContact CB-CZ 4.25Å
393	L	89.9	Confident	87.6	Confident	39 Å²	39	36.9 Å²	36.9	20%	0.204	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	137.9	179.3	-63.8	178.3	0	0	0	111.6	L371 L384 A385 E386 Y448 R650	L371-L393 HydrophobicContact CD1-CD2 3.9Å; L384-L393 HydrophobicContact CD1-CB 4.18Å; L384-L393 HydrophobicContact CD1-CD2 4.33Å; A385-L393 CarbonylContact O-C 3.49Å; A385-L393 WeakPolarHBondContact O-CA 3.41Å; E386-L393 HydrophobicContact CB-CD2 4.16Å; L393-Y448 HydrophobicContact CB-CD1 3.8Å; L393-Y448 HydrophobicContact CB-CG 4.29Å; L393-Y448 HydrophobicContact CD1-CD1 3.94Å; L393-Y448 HydrophobicContact CD1-CE1 4.03Å; L393-Y448 WeakPolarHBondContact O-CB 3.28Å; L393-R650 HydrophobicContact CD1-CG 3.95Å; L393-R650 HydrophobicContact CD2-CG 4.32Å
394	F	92.1	Very high	86.8	Confident	9 Å²	9	37 Å²	37	4%	0.039	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	147.7	-179.9	-63.9	-85.5	0	0	0	111.3	F368 A385 E387 H392 V396 Y433 V445 M446 F692	F368-F394 HydrophobicContact CE1-CD2 4.1Å; F368-F394 HydrophobicContact CE1-CE2 4.45Å; A385-F394 PolarHBondContact N-O 3.04Å; A385-F394 PolarHBondContact O-N 2.9Å; E387-F394 HydrophobicContact CB-CD2 4.3Å; E387-F394 HydrophobicContact CB-CE2 3.79Å; H392-F394 HydrophobicContact CB-CE2 3.75Å; H392-F394 HydrophobicContact CB-CZ 4.25Å; F394-V396 HydrophobicContact CB-CG2 4.42Å; F394-Y433 HydrophobicContact CD1-CD1 4.49Å; F394-Y433 HydrophobicContact CD1-CG 4.42Å; F394-Y433 AromaticContact CE1-CD1 3.89Å; F394-Y433 HydrophobicContact CE1-CD1 3.89Å; F394-Y433 HydrophobicContact CE1-CD2 4.11Å; F394-Y433 AromaticContact CE1-CG 3.66Å; F394-Y433 HydrophobicContact CE1-CG 3.66Å; F394-Y433 HydrophobicContact CZ-CD1 4.15Å; F394-Y433 HydrophobicContact CZ-CD2 4.4Å; F394-Y433 HydrophobicContact CZ-CE1 4.33Å; F394-Y433 HydrophobicContact CZ-CG 4.19Å; F394-V445 HydrophobicContact CB-CG1 3.66Å; F394-V445 HydrophobicContact CD1-CG1 3.63Å; F394-V445 HydrophobicContact CD2-CG1 4.38Å; F394-V445 HydrophobicContact CE1-CG1 4.35Å; F394-V445 HydrophobicContact CG-CG1 3.63Å; F394-M446 WeakPolarHBondContact CA-O 3.17Å; F394-M446 WeakPolarHBondContact CB-O 3.45Å; F394-F692 HydrophobicContact CE1-CE1 4.1Å; F394-F692 HydrophobicContact CE1-CZ 4.14Å
395	A	93.3	Very high	85.6	Confident	11 Å²	11	42.7 Å²	42.7	9%	0.091	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	113.5	167.2	0	0	0	0	0	109.1	L374 V382 M446	L374-A395 HydrophobicContact CD1-CB 4.37Å; V382-A395 HydrophobicContact CG1-CB 4.34Å; A395-M446 HydrophobicContact CB-CE 4.34Å; A395-M446 PolarHBondContact N-O 3.27Å; A395-M446 WeakPolarHBondContact O-CB 3.5Å; A395-M446 PolarHBondContact O-N 3.11Å
396	V	94.6	Very high	83.9	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	105.5	-177.2	-172.4	0	0	0	0	110.5	F370 V382 L383 A385 F394 V398 Y443 Y444 V445	F370-V396 HydrophobicContact CE1-CB 4.17Å; F370-V396 HydrophobicContact CE1-CG1 4.13Å; F370-V396 HydrophobicContact CE1-CG2 4.3Å; V382-V396 WeakPolarHBondContact CA-O 3.48Å; L383-V396 PolarHBondContact N-O 2.92Å; L383-V396 PolarHBondContact O-N 3.31Å; A385-V396 HydrophobicContact CB-CG2 3.51Å; F394-V396 HydrophobicContact CB-CG2 4.42Å; V396-V398 HydrophobicContact CG1-CG2 3.89Å; V396-Y443 HydrophobicContact CG1-CD1 4.19Å; V396-Y444 CarbonylContact C-O 3.02Å; V396-Y444 VanDerWaalsContact CA-O 3.26Å; V396-Y444 WeakPolarHBondContact CA-O 3.38Å; V396-V445 HydrophobicContact CG1-CG2 4.36Å; V396-V445 HydrophobicContact CG2-CG1 4.28Å; V396-V445 HydrophobicContact CG2-CG2 4.22Å
397	K	93.9	Very high	82.2	Confident	18 Å²	18	52.7 Å²	52.7	8%	0.078	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	118.7	171.5	-170.5	-176	-161.6	-171.8	0	108.1	V382 L399 E416 Y443 Y444 M446 D510	V382-K397 HydrophobicContact CG2-CB 4.37Å; V382-K397 HydrophobicContact CG2-CG 4.25Å; K397-L399 HydrophobicContact CG-CD2 4.24Å; K397-E416 IonicContact NZ-OE1 3.5Å; K397-E416 PolarHBondContact NZ-OE1 3.03Å; K397-E416 IonicContact NZ-OE2 2.79Å; K397-E416 PolarHBondContact NZ-OE2 3.02Å; K397-Y443 WeakPolarHBondContact O-CA 3.11Å; K397-Y444 HydrophobicContact CB-CD2 3.96Å; K397-Y444 HydrophobicContact CD-CD2 4.07Å; K397-Y444 HydrophobicContact CD-CE2 4.27Å; K397-Y444 HydrophobicContact CG-CD2 4.18Å; K397-Y444 PolarHBondContact N-O 3.32Å; K397-Y444 PolarHBondContact O-N 3.11Å; K397-M446 HydrophobicContact CB-CE 3.81Å; K397-D510 WeakPolarHBondContact CE-OD2 2.96Å; K397-D510 IonicContact NZ-OD1 2.6Å; K397-D510 PolarHBondContact NZ-OD1 2.86Å; K397-D510 IonicContact NZ-OD2 3.31Å; K397-D510 PolarHBondContact NZ-OD2 2.9Å
398	V	92.4	Very high	80.7	Confident	4 Å²	4	59.4 Å²	59.4	2%	0.024	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	109.1	-178.8	-172.2	0	0	0	0	109.3	G380 K381 L383 V396 R441 L442 Y443 L666	G380-V398 WeakPolarHBondContact CA-O 3.29Å; K381-V398 PolarHBondContact N-O 2.83Å; K381-V398 PolarHBondContact O-N 2.98Å; L383-V398 HydrophobicContact CD1-CG2 4.11Å; V396-V398 HydrophobicContact CG1-CG2 3.89Å; V398-R441 HydrophobicContact CG1-CB 4.27Å; V398-R441 HydrophobicContact CG1-CG 4.18Å; V398-L442 WeakPolarHBondContact CA-O 3.44Å; V398-Y443 HydrophobicContact CB-CD1 4.4Å; V398-Y443 HydrophobicContact CB-CE1 4.45Å; V398-Y443 HydrophobicContact CG1-CD1 4.02Å; V398-Y443 HydrophobicContact CG1-CE1 3.7Å; V398-Y443 HydrophobicContact CG2-CD1 3.68Å; V398-Y443 HydrophobicContact CG2-CE1 3.88Å; V398-L666 HydrophobicContact CB-CD2 4.38Å; V398-L666 HydrophobicContact CG1-CD1 4.35Å; V398-L666 HydrophobicContact CG1-CD2 4.03Å; V398-L666 HydrophobicContact CG2-CD2 4.45Å
399	L	88.9	Confident	80	Confident	9 Å²	9	54.4 Å²	54.4	5%	0.047	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	147.1	172.7	-51.5	-175.2	0	0	0	109.5	F379 K397 L404 A413 R441 L442 Y444	F379-L399 HydrophobicContact CB-CD2 4.01Å; K397-L399 HydrophobicContact CG-CD2 4.24Å; L399-L404 HydrophobicContact CB-CD1 4.19Å; L399-L404 HydrophobicContact CD1-CD1 4.23Å; L399-L404 HydrophobicContact CD1-CD2 4.39Å; L399-A413 HydrophobicContact CD1-CB 4.27Å; L399-R441 VanDerWaalsContact O-CA 3.24Å; L399-R441 WeakPolarHBondContact O-CA 3.32Å; L399-R441 VanDerWaalsContact O-CB 3.29Å; L399-R441 WeakPolarHBondContact O-CB 3.47Å; L399-R441 WeakPolarHBondContact O-CG 3.26Å; L399-L442 HydrophobicContact CB-CB 4.38Å; L399-L442 PolarHBondContact N-O 3.37Å; L399-L442 PolarHBondContact O-N 3.48Å; L399-Y444 HydrophobicContact CD1-CE2 3.77Å; L399-Y444 HydrophobicContact CG-CE2 4.04Å
400	K	86.3	Confident	80	Confident	51 Å²	51	51 Å²	51	22%	0.222	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	143.3	167.9	-61.9	-170.1	169.6	-169.3	0	111.2	F379 D402 V403 L404 R441	F379-K400 PolarHBondContact O-N 2.93Å; K400-D402 WeakPolarHBondContact CB-OD1 3.47Å; K400-D402 WeakPolarHBondContact CD-OD1 3.37Å; K400-D402 WeakPolarHBondContact CD-OD2 3.37Å; K400-D402 IonicContact NZ-OD1 3.17Å; K400-D402 IonicContact NZ-OD2 3.74Å; K400-D402 PolarHBondContact NZ-OD2 3.37Å; K400-V403 HydrophobicContact CB-CG2 4.31Å; K400-V403 HydrophobicContact CD-CG2 4.34Å; K400-L404 WeakPolarHBondContact O-CG 3.49Å; K400-R441 HydrophobicContact CG-CG 4.45Å
401	K	87.1	Confident	80	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-72.7	-29.9	177	-70.4	176.5	167.3	175.9	0	113.6	V403 F405 T438 E439 D440 L442 I677 F682	K401-V403 PolarHBondContact O-N 2.94Å; K401-F405 PolarHBondContact O-N 3.28Å; K401-T438 PolarHBondContact NZ-O 2.86Å; K401-E439 WeakPolarHBondContact CD-O 3.48Å; K401-D440 WeakPolarHBondContact CB-O 3.23Å; K401-D440 PolarHBondContact N-O 2.95Å; K401-L442 HydrophobicContact CG-CD2 4.35Å; K401-L442 HydrophobicContact CG-CG 4.31Å; K401-I677 HydrophobicContact CB-CD1 3.9Å; K401-I677 HydrophobicContact CB-CG2 4Å; K401-I677 HydrophobicContact CD-CG2 4.24Å; K401-F682 HydrophobicContact CB-CE2 4Å; K401-F682 HydrophobicContact CB-CZ 3.85Å; K401-F682 HydrophobicContact CD-CD2 3.81Å; K401-F682 HydrophobicContact CD-CE2 3.84Å; K401-F682 HydrophobicContact CD-CG 4.22Å; K401-F682 HydrophobicContact CD-CZ 4.25Å; K401-F682 HydrophobicContact CG-CD1 4.33Å; K401-F682 HydrophobicContact CG-CD2 4.17Å; K401-F682 HydrophobicContact CG-CE1 3.97Å; K401-F682 HydrophobicContact CG-CE2 3.81Å; K401-F682 HydrophobicContact CG-CG 4.42Å; K401-F682 HydrophobicContact CG-CZ 3.7Å
402	D	79.4	Confident	80.2	Confident	21 Å²	21	50.6 Å²	50.6	11%	0.112	25%	0.25	C	C	.	.	H	α-helix	trans	-64.1	-35.4	178.1	61.5	-8.8	0	0	0	113.3	K400 Q406 V673 I677	K400-D402 WeakPolarHBondContact CB-OD1 3.47Å; K400-D402 WeakPolarHBondContact CD-OD1 3.37Å; K400-D402 WeakPolarHBondContact CD-OD2 3.37Å; K400-D402 IonicContact NZ-OD1 3.17Å; K400-D402 IonicContact NZ-OD2 3.74Å; K400-D402 PolarHBondContact NZ-OD2 3.37Å; D402-Q406 PolarHBondContact O-NE2 2.79Å; D402-V673 HydrophobicContact CB-CG1 3.42Å; D402-V673 VanDerWaalsContact CB-CG1 3.42Å; D402-I677 HydrophobicContact CB-CD1 4.23Å
403	V	72.4	Confident	80.5	Confident	42 Å²	42	45.5 Å²	45.5	26%	0.255	23%	0.227	S	C	.	.	H	α-helix	trans	-75.3	-48.3	176.2	-175.7	0	0	0	0	110.5	F379 K400 K401 F405 Q406	F379-V403 HydrophobicContact CD1-CG1 4.01Å; K400-V403 HydrophobicContact CB-CG2 4.31Å; K400-V403 HydrophobicContact CD-CG2 4.34Å; K401-V403 PolarHBondContact O-N 2.94Å; V403-F405 PolarHBondContact O-N 3.03Å; V403-F405 VanDerWaalsContact O-N 3.16Å; V403-Q406 PolarHBondContact O-N 2.74Å
404	L	72.4	Confident	80.5	Confident	3 Å²	3	44.5 Å²	44.5	2%	0.016	22%	0.222	C	C	.	.	H	α-helix	trans	-57.2	-33.7	-179.1	-67.5	172.1	0	0	0	113.1	F379 L399 K400 Q406 D409 A413 L442 F682	F379-L404 HydrophobicContact CB-CD2 4.32Å; F379-L404 HydrophobicContact CD1-CD2 4.48Å; F379-L404 HydrophobicContact CG-CD2 4.36Å; L399-L404 HydrophobicContact CB-CD1 4.19Å; L399-L404 HydrophobicContact CD1-CD1 4.23Å; L399-L404 HydrophobicContact CD1-CD2 4.39Å; K400-L404 WeakPolarHBondContact O-CG 3.49Å; L404-Q406 VanDerWaalsContact C-N 3.34Å; L404-D409 HydrophobicContact CD2-CB 4Å; L404-D409 PolarHBondContact O-N 3.23Å; L404-A413 HydrophobicContact CD1-CB 4.06Å; L404-L442 HydrophobicContact CD1-CD1 3.68Å; L404-L442 HydrophobicContact CD1-CG 4.47Å; L404-F682 HydrophobicContact CD1-CE1 4.16Å
405	F	64.5	Low	80.5	Confident	120 Å²	120	44.6 Å²	44.6	53%	0.526	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-24.9	176.9	-175.7	-97.4	0	0	0	114	K401 V403	K401-F405 PolarHBondContact O-N 3.28Å; V403-F405 PolarHBondContact O-N 3.03Å; V403-F405 VanDerWaalsContact O-N 3.16Å
406	Q	54.1	Low	80.6	Confident	144 Å²	144	44.2 Å²	44.2	67%	0.673	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	-23.9	-177.1	-73.3	171.3	59.7	0	0	113.2	D402 V403 L404	D402-Q406 PolarHBondContact O-NE2 2.79Å; V403-Q406 PolarHBondContact O-N 2.74Å; L404-Q406 VanDerWaalsContact C-N 3.34Å
407	D	54	Low	80.6	Confident	95 Å²	95	46 Å²	46	51%	0.508	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	12.3	-170.8	-62.7	-45.7	0	0	0	113.9	D409	D407-D409 PolarHBondContact O-N 3.26Å
408	E	58.2	Low	80.6	Confident	186 Å²	186	49 Å²	49	87%	0.869	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.5	7.5	-173.2	-57.7	-172.7	167.2	0	0	115.5	T410	E408-T410 VanDerWaalsContact C-N 3.3Å; E408-T410 PolarHBondContact O-N 3.05Å; E408-T410 VanDerWaalsContact O-N 3.17Å
409	D	73	Confident	80.8	Confident	38 Å²	38	48.9 Å²	48.9	20%	0.203	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	8.2	-169.1	-97.9	-48.7	0	0	0	116.3	F379 L404 D407 E411 S412 A413	F379-D409 HydrophobicContact CE1-CB 4.5Å; F379-D409 WeakPolarHBondContact CE1-OD2 3.39Å; F379-D409 WeakPolarHBondContact CZ-OD2 3.39Å; L404-D409 HydrophobicContact CD2-CB 4Å; L404-D409 PolarHBondContact O-N 3.23Å; D407-D409 PolarHBondContact O-N 3.26Å; D409-E411 VanDerWaalsContact C-N 3.35Å; D409-E411 PolarHBondContact O-N 2.89Å; D409-S412 VanDerWaalsContact O-CB 3.31Å; D409-S412 WeakPolarHBondContact O-CB 3.42Å; D409-S412 PolarHBondContact O-N 2.91Å; D409-S412 VanDerWaalsContact O-N 3.09Å; D409-S412 WeakPolarHBondContact OD1-CB 3.24Å; D409-S412 PolarHBondContact OD1-OG 2.73Å; D409-A413 PolarHBondContact O-N 3.48Å
410	T	83.5	Confident	81.1	Confident	19 Å²	19	48.5 Å²	48.5	12%	0.117	23%	0.234	C	C	.	.	H	α-helix	trans	-59.1	-41.6	177.7	-62.2	0	0	0	0	112.8	E408 S412 A413 L414 D681 F682	E408-T410 VanDerWaalsContact C-N 3.3Å; E408-T410 PolarHBondContact O-N 3.05Å; E408-T410 VanDerWaalsContact O-N 3.17Å; T410-S412 VanDerWaalsContact C-N 3.33Å; T410-S412 PolarHBondContact O-N 3.24Å; T410-A413 PolarHBondContact O-N 2.86Å; T410-L414 PolarHBondContact O-N 3.19Å; T410-L414 VanDerWaalsContact O-N 3.14Å; T410-D681 HydrophobicContact CG2-CB 4.11Å; T410-D681 WeakPolarHBondContact CG2-O 3.25Å; T410-F682 HydrophobicContact CG2-CD1 3.93Å; T410-F682 HydrophobicContact CG2-CE1 3.56Å; T410-F682 HydrophobicContact CG2-CZ 4.01Å
411	E	85.1	Confident	81.4	Confident	107 Å²	107	47.1 Å²	47.1	50%	0.5	23%	0.232	S	C	.	.	H	α-helix	trans	-66.6	-33.8	174.9	-91.3	-61.4	141.9	0	0	112.1	D409 A413 L414 V415 R418	D409-E411 VanDerWaalsContact C-N 3.35Å; D409-E411 PolarHBondContact O-N 2.89Å; E411-A413 VanDerWaalsContact C-N 3.27Å; E411-A413 PolarHBondContact O-N 2.74Å; E411-L414 CarbonylContact O-C 3.46Å; E411-L414 PolarHBondContact O-N 3.06Å; E411-L414 VanDerWaalsContact O-N 3.11Å; E411-V415 WeakPolarHBondContact O-CB 3.5Å; E411-V415 VanDerWaalsContact O-CG2 3.26Å; E411-V415 WeakPolarHBondContact O-CG2 3.4Å; E411-V415 PolarHBondContact O-N 3.02Å; E411-R418 IonicContact OE2-CZ 3.78Å; E411-R418 IonicContact OE2-NH1 3.47Å; E411-R418 IonicContact OE2-NH2 2.74Å; E411-R418 PolarHBondContact OE2-NH2 3.23Å
412	S	85.8	Confident	81.7	Confident	36 Å²	36	48.9 Å²	48.9	25%	0.252	24%	0.241	S	C	.	.	H	α-helix	trans	-59.3	-39.8	175.5	-51.4	0	0	0	0	111.4	D409 T410 V415 E416	D409-S412 VanDerWaalsContact O-CB 3.31Å; D409-S412 WeakPolarHBondContact O-CB 3.42Å; D409-S412 PolarHBondContact O-N 2.91Å; D409-S412 VanDerWaalsContact O-N 3.09Å; D409-S412 WeakPolarHBondContact OD1-CB 3.24Å; D409-S412 PolarHBondContact OD1-OG 2.73Å; T410-S412 VanDerWaalsContact C-N 3.33Å; T410-S412 PolarHBondContact O-N 3.24Å; S412-V415 PolarHBondContact O-N 2.85Å; S412-E416 PolarHBondContact O-N 2.76Å
413	A	89.2	Confident	82.2	Confident	3 Å²	3	52 Å²	52	3%	0.025	26%	0.262	C	S	.	.	H	α-helix	trans	-68.5	-38.3	173.2	0	0	0	0	0	113.2	L399 L404 D409 T410 E411 E416 R417 L442 Y444	L399-A413 HydrophobicContact CD1-CB 4.27Å; L404-A413 HydrophobicContact CD1-CB 4.06Å; D409-A413 PolarHBondContact O-N 3.48Å; T410-A413 PolarHBondContact O-N 2.86Å; E411-A413 VanDerWaalsContact C-N 3.27Å; E411-A413 PolarHBondContact O-N 2.74Å; A413-E416 PolarHBondContact O-N 3.38Å; A413-R417 PolarHBondContact O-N 3.24Å; A413-L442 HydrophobicContact CB-CD1 3.9Å; A413-Y444 WeakPolarHBondContact CA-OH 3.28Å; A413-Y444 PolarHBondContact O-OH 2.9Å
414	L	90.9	Very high	82.9	Confident	18 Å²	18	57.8 Å²	57.8	9%	0.094	29%	0.291	C	S	.	.	H	α-helix	trans	-68.9	-36.6	175	-64.6	-178.9	0	0	0	112.2	T410 E411 R417 R418 F685	T410-L414 PolarHBondContact O-N 3.19Å; T410-L414 VanDerWaalsContact O-N 3.14Å; E411-L414 CarbonylContact O-C 3.46Å; E411-L414 PolarHBondContact O-N 3.06Å; E411-L414 VanDerWaalsContact O-N 3.11Å; L414-R417 PolarHBondContact O-N 3.11Å; L414-R418 WeakPolarHBondContact O-CG 3.5Å; L414-R418 PolarHBondContact O-N 3.39Å; L414-F685 HydrophobicContact CD2-CB 4.29Å; L414-F685 HydrophobicContact CD2-CD2 4.19Å
415	V	92.1	Very high	83.8	Confident	11 Å²	11	59.8 Å²	59.8	7%	0.067	30%	0.298	C	S	.	.	H	α-helix	trans	-60	-53.1	169.7	170.9	0	0	0	0	109.8	E411 S412 R417 R418 V419 C514 E516	E411-V415 WeakPolarHBondContact O-CB 3.5Å; E411-V415 VanDerWaalsContact O-CG2 3.26Å; E411-V415 WeakPolarHBondContact O-CG2 3.4Å; E411-V415 PolarHBondContact O-N 3.02Å; S412-V415 PolarHBondContact O-N 2.85Å; V415-R417 VanDerWaalsContact C-N 3.28Å; V415-R417 PolarHBondContact O-N 3.04Å; V415-R418 CarbonylContact O-C 3.17Å; V415-R418 WeakPolarHBondContact O-CA 3.25Å; V415-R418 WeakPolarHBondContact O-CB 3.48Å; V415-R418 PolarHBondContact O-N 3.23Å; V415-V419 HydrophobicContact CG1-CG2 3.93Å; V415-V419 WeakPolarHBondContact O-CG2 3.28Å; V415-V419 PolarHBondContact O-N 3.11Å; V415-C514 HydrophobicContact CG1-CB 3.83Å; V415-E516 HydrophobicContact CG1-CG 4.25Å
416	E	94.1	Very high	85.2	Confident	3 Å²	3	55.4 Å²	55.4	1%	0.014	28%	0.282	C	S	.	.	H	α-helix	trans	-53.6	-46.3	178.3	173	162.5	-137.6	0	0	111.3	K397 S412 A413 R418 V419 L420 Y444 F511 G512	K397-E416 IonicContact NZ-OE1 3.5Å; K397-E416 PolarHBondContact NZ-OE1 3.03Å; K397-E416 IonicContact NZ-OE2 2.79Å; K397-E416 PolarHBondContact NZ-OE2 3.02Å; S412-E416 PolarHBondContact O-N 2.76Å; A413-E416 PolarHBondContact O-N 3.38Å; E416-R418 VanDerWaalsContact C-N 3.31Å; E416-R418 PolarHBondContact O-N 2.69Å; E416-V419 PolarHBondContact O-N 3.46Å; E416-L420 HydrophobicContact CG-CD1 3.67Å; E416-L420 HydrophobicContact CG-CG 4.38Å; E416-L420 VanDerWaalsContact O-CB 3.26Å; E416-L420 WeakPolarHBondContact O-CB 3.28Å; E416-L420 WeakPolarHBondContact O-CG 3.41Å; E416-L420 PolarHBondContact O-N 3.47Å; E416-Y444 HydrophobicContact CB-CE1 4.36Å; E416-Y444 HydrophobicContact CG-CE1 3.82Å; E416-Y444 PolarHBondContact OE2-OH 3.44Å; E416-F511 HydrophobicContact CG-CB 4.2Å; E416-F511 PolarHBondContact OE1-N 2.93Å; E416-F511 VanDerWaalsContact OE1-N 3.16Å; E416-G512 PolarHBondContact OE1-N 2.84Å
417	R	94.7	Very high	87.1	Confident	39 Å²	39	51.5 Å²	51.5	15%	0.147	26%	0.264	C	S	.	.	H	α-helix	trans	-59.5	-38.5	175.3	-171.8	-113.9	69.8	83.7	-9.2	112.6	A413 L414 V415 A421 A435 Y444 F685 F687	A413-R417 PolarHBondContact O-N 3.24Å; L414-R417 PolarHBondContact O-N 3.11Å; V415-R417 VanDerWaalsContact C-N 3.28Å; V415-R417 PolarHBondContact O-N 3.04Å; R417-A421 WeakPolarHBondContact O-CB 3.29Å; R417-A421 PolarHBondContact O-N 2.66Å; R417-A435 HydrophobicContact CG-CB 4.3Å; R417-Y444 HydrophobicContact CB-CE1 3.98Å; R417-F685 HydrophobicContact CB-CD2 4.07Å; R417-F685 HydrophobicContact CB-CE2 3.91Å; R417-F685 VanDerWaalsContact CD-O 3.26Å; R417-F685 WeakPolarHBondContact CD-O 3.37Å; R417-F685 HydrophobicContact CG-CD2 4.04Å; R417-F685 HydrophobicContact CG-CE2 4.07Å; R417-F685 WeakPolarHBondContact CG-O 3.32Å; R417-F687 VanDerWaalsContact NH1-CB 3.27Å
418	R	95.3	Very high	89.2	Confident	81 Å²	81	47.1 Å²	47.1	31%	0.306	24%	0.24	S	C	.	.	H	α-helix	trans	-70.6	-46.9	176.9	-71.2	-176.8	-60	-107.9	8.6	111.8	E411 L414 V415 E416 A421 L422 E516	E411-R418 IonicContact OE2-CZ 3.78Å; E411-R418 IonicContact OE2-NH1 3.47Å; E411-R418 IonicContact OE2-NH2 2.74Å; E411-R418 PolarHBondContact OE2-NH2 3.23Å; L414-R418 WeakPolarHBondContact O-CG 3.5Å; L414-R418 PolarHBondContact O-N 3.39Å; V415-R418 CarbonylContact O-C 3.17Å; V415-R418 WeakPolarHBondContact O-CA 3.25Å; V415-R418 WeakPolarHBondContact O-CB 3.48Å; V415-R418 PolarHBondContact O-N 3.23Å; E416-R418 VanDerWaalsContact C-N 3.31Å; E416-R418 PolarHBondContact O-N 2.69Å; R418-A421 PolarHBondContact O-N 3.33Å; R418-L422 PolarHBondContact O-N 2.91Å; R418-E516 VanDerWaalsContact CB-OE1 3.27Å; R418-E516 WeakPolarHBondContact CB-OE1 3.35Å; R418-E516 IonicContact CZ-OE2 2.74Å; R418-E516 IonicContact NE-OE1 3.23Å; R418-E516 PolarHBondContact NE-OE1 3.4Å; R418-E516 IonicContact NE-OE2 3.48Å; R418-E516 PolarHBondContact NE-OE2 2.93Å; R418-E516 IonicContact NH2-OE2 3.74Å; R418-E516 PolarHBondContact NH2-OE2 2.82Å
419	V	95.6	Very high	91	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.5	-44.3	178.9	178.7	0	0	0	0	111.6	V415 E416 A421 L422 R425 L483 I488 F511 C514 E516	V415-V419 HydrophobicContact CG1-CG2 3.93Å; V415-V419 WeakPolarHBondContact O-CG2 3.28Å; V415-V419 PolarHBondContact O-N 3.11Å; E416-V419 PolarHBondContact O-N 3.46Å; V419-A421 VanDerWaalsContact C-N 3.25Å; V419-A421 PolarHBondContact O-N 2.88Å; V419-L422 HydrophobicContact CG1-CD1 4.42Å; V419-L422 WeakPolarHBondContact O-CD1 3.44Å; V419-L422 WeakPolarHBondContact O-CG 3.17Å; V419-L422 PolarHBondContact O-N 2.92Å; V419-R425 PolarHBondContact O-NH1 3.31Å; V419-L483 HydrophobicContact CG1-CD2 3.92Å; V419-I488 HydrophobicContact CG2-CD1 4.27Å; V419-I488 HydrophobicContact CG2-CG2 4.12Å; V419-F511 HydrophobicContact CB-CB 4.2Å; V419-F511 HydrophobicContact CG1-CB 3.94Å; V419-F511 HydrophobicContact CG1-CD1 3.57Å; V419-F511 HydrophobicContact CG1-CE1 4.31Å; V419-F511 HydrophobicContact CG1-CG 3.84Å; V419-C514 HydrophobicContact CG2-CB 3.81Å; V419-E516 HydrophobicContact CG2-CG 4.43Å
420	L	94.5	Very high	92.1	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-65.4	-26.2	177	-84.7	170.3	0	0	0	113.6	E416 L432 Y444 M446 F511	E416-L420 HydrophobicContact CG-CD1 3.67Å; E416-L420 HydrophobicContact CG-CG 4.38Å; E416-L420 VanDerWaalsContact O-CB 3.26Å; E416-L420 WeakPolarHBondContact O-CB 3.28Å; E416-L420 WeakPolarHBondContact O-CG 3.41Å; E416-L420 PolarHBondContact O-N 3.47Å; L420-L432 HydrophobicContact CB-CB 4.01Å; L420-L432 HydrophobicContact CB-CD2 4.02Å; L420-L432 HydrophobicContact CB-CG 4.48Å; L420-L432 HydrophobicContact CD1-CD1 4.41Å; L420-Y444 HydrophobicContact CD1-CD1 3.91Å; L420-Y444 HydrophobicContact CD1-CE1 4.37Å; L420-M446 HydrophobicContact CD1-SD 4.28Å; L420-F511 HydrophobicContact CD2-CD2 3.47Å; L420-F511 VanDerWaalsContact CD2-CD2 3.47Å; L420-F511 HydrophobicContact CD2-CE2 3.67Å; L420-F511 HydrophobicContact CG-CD2 3.75Å; L420-F511 HydrophobicContact CG-CE2 4.42Å; L420-F511 HydrophobicContact CG-CG 4.49Å
421	A	93.6	Very high	92.5	Very high	21 Å²	21	37.3 Å²	37.3	17%	0.174	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	13.1	-177.7	0	0	0	0	0	114.3	R417 R418 V419 L432 F687	R417-A421 WeakPolarHBondContact O-CB 3.29Å; R417-A421 PolarHBondContact O-N 2.66Å; R418-A421 PolarHBondContact O-N 3.33Å; V419-A421 VanDerWaalsContact C-N 3.25Å; V419-A421 PolarHBondContact O-N 2.88Å; A421-L432 HydrophobicContact CB-CD2 4.38Å; A421-F687 HydrophobicContact CB-CD1 3.93Å; A421-F687 HydrophobicContact CB-CD2 4.45Å; A421-F687 HydrophobicContact CB-CE1 3.54Å; A421-F687 HydrophobicContact CB-CE2 4.13Å; A421-F687 HydrophobicContact CB-CG 4.37Å; A421-F687 HydrophobicContact CB-CZ 3.66Å
422	L	93.4	Very high	92.9	Very high	38 Å²	38	32.2 Å²	32.2	20%	0.199	17%	0.172	C	C	.	.			trans	-64.8	137.6	174.4	-69.5	168.2	0	0	0	111.1	R418 V419 R425 F482 K486 I488	R418-L422 PolarHBondContact O-N 2.91Å; V419-L422 HydrophobicContact CG1-CD1 4.42Å; V419-L422 WeakPolarHBondContact O-CD1 3.44Å; V419-L422 WeakPolarHBondContact O-CG 3.17Å; V419-L422 PolarHBondContact O-N 2.92Å; L422-R425 HydrophobicContact CB-CG 4.46Å; L422-R425 WeakPolarHBondContact O-CD 3.49Å; L422-R425 VanDerWaalsContact O-CG 3.26Å; L422-R425 WeakPolarHBondContact O-CG 3.43Å; L422-F482 HydrophobicContact CB-CE1 4.32Å; L422-F482 HydrophobicContact CB-CZ 4.22Å; L422-F482 HydrophobicContact CD1-CE1 3.9Å; L422-F482 HydrophobicContact CD1-CZ 4.43Å; L422-K486 HydrophobicContact CD1-CG 4.41Å; L422-I488 HydrophobicContact CD1-CD1 3.6Å
423	P	90.4	Very high	93.3	Very high	86 Å²	86	32.3 Å²	32.3	56%	0.558	17%	0.167	S	C	*	.	S	Bend	trans	-77.4	161.8	173	33.4	-35.8	0	0	0	111.7	R425	P423-R425 VanDerWaalsContact C-N 3.34Å; P423-R425 PolarHBondContact O-N 3.22Å
424	L	87.6	Confident	93.6	Very high	164 Å²	164	32.2 Å²	32.2	86%	0.859	17%	0.166	S	C	*	.	S	Bend	trans	55.9	41.1	175.1	-55	175.3	0	0	0	113.9	F482	L424-F482 WeakPolarHBondContact O-CE2 3.4Å
425	R	90.5	Very high	93.8	Very high	44 Å²	44	31.5 Å²	31.5	17%	0.166	16%	0.163	C	C	.	.			trans	-67.4	143.4	175.2	-60.8	167.5	75.8	77.9	-15.7	110.5	V419 L422 P423 T430 F482	V419-R425 PolarHBondContact O-NH1 3.31Å; L422-R425 HydrophobicContact CB-CG 4.46Å; L422-R425 WeakPolarHBondContact O-CD 3.49Å; L422-R425 VanDerWaalsContact O-CG 3.26Å; L422-R425 WeakPolarHBondContact O-CG 3.43Å; P423-R425 VanDerWaalsContact C-N 3.34Å; P423-R425 PolarHBondContact O-N 3.22Å; R425-T430 PolarHBondContact NE-O 3.39Å; R425-T430 PolarHBondContact NH2-O 3.32Å; R425-F482 HydrophobicContact CG-CE1 4.22Å; R425-F482 HydrophobicContact CG-CZ 4.14Å
426	P	94.1	Very high	94	Very high	28 Å²	28	31.6 Å²	31.6	18%	0.182	16%	0.163	C	C	.	.			trans	-65.9	156.5	162.1	31.3	-35.2	0	0	0	109.7	F428 L429 V478 F482	P426-F428 HydrophobicContact CB-CD2 4.38Å; P426-F428 PolarHBondContact O-N 2.85Å; P426-L429 HydrophobicContact CG-CD1 4.29Å; P426-L429 HydrophobicContact CG-CG 4.22Å; P426-L429 PolarHBondContact O-N 2.92Å; P426-V478 HydrophobicContact CB-CG1 3.85Å; P426-V478 HydrophobicContact CG-CG1 4.24Å; P426-F482 VanDerWaalsContact CD-CG 3.48Å; P426-F482 HydrophobicContact CG-CB 3.93Å; P426-F482 HydrophobicContact CG-CG 4.15Å
427	H	94.4	Very high	94	Very high	63 Å²	63	34 Å²	34	29%	0.292	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-32.6	178.2	-179.2	68.9	0	0	0	112.9	L429 D501 K507 L637	H427-L429 PolarHBondContact O-N 3.49Å; H427-D501 IonicContact CD2-OD2 3.47Å; H427-D501 IonicContact CE1-OD2 3.54Å; H427-D501 PolarHBondContact CE1-OD2 3.29Å; H427-D501 IonicContact NE2-OD2 3.18Å; H427-D501 PolarHBondContact NE2-OD2 3.3Å; H427-K507 WeakPolarHBondContact CE1-CE 3.44Å; H427-K507 PolarHBondContact CE1-NZ 3.38Å; H427-K507 PolarHBondContact ND1-NZ 2.87Å; H427-K507 WeakPolarHBondContact O-CD 3.26Å; H427-K507 WeakPolarHBondContact O-CE 3.43Å; H427-K507 PolarHBondContact O-NZ 2.87Å; H427-L637 HydrophobicContact CB-CD1 4.18Å; H427-L637 HydrophobicContact CB-CD2 4.17Å
428	F	97.3	Very high	93.8	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.009	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	6	-170.8	-44.6	-55.4	0	0	0	116.2	P426 E475 V478 H505 I506 I508 L634 L637	P426-F428 HydrophobicContact CB-CD2 4.38Å; P426-F428 PolarHBondContact O-N 2.85Å; F428-E475 HydrophobicContact CD1-CB 3.76Å; F428-E475 HydrophobicContact CD1-CG 4.01Å; F428-E475 HydrophobicContact CD2-CB 4.14Å; F428-E475 WeakPolarHBondContact CD2-O 3.05Å; F428-E475 HydrophobicContact CE1-CB 3.86Å; F428-E475 HydrophobicContact CE1-CG 3.58Å; F428-E475 WeakPolarHBondContact CE1-OE1 3.22Å; F428-E475 HydrophobicContact CE2-CB 4.23Å; F428-E475 HydrophobicContact CE2-CG 4.22Å; F428-E475 HydrophobicContact CG-CB 3.9Å; F428-E475 HydrophobicContact CZ-CB 4.09Å; F428-E475 HydrophobicContact CZ-CG 3.68Å; F428-V478 HydrophobicContact CD2-CB 3.79Å; F428-V478 HydrophobicContact CD2-CG1 3.7Å; F428-V478 HydrophobicContact CE2-CB 4.05Å; F428-V478 HydrophobicContact CE2-CG1 3.94Å; F428-V478 HydrophobicContact CE2-CG2 4.34Å; F428-H505 HydrophobicContact CE1-CB 4.42Å; F428-I506 VanDerWaalsContact CA-O 3.3Å; F428-I506 WeakPolarHBondContact CA-O 3.36Å; F428-I506 HydrophobicContact CB-CG2 4.41Å; F428-I506 HydrophobicContact CD1-CB 4.44Å; F428-I508 PolarHBondContact O-N 3.41Å; F428-L634 HydrophobicContact CZ-CG 4.36Å; F428-L634 WeakPolarHBondContact CZ-O 3.47Å; F428-L637 HydrophobicContact CE1-CD2 3.5Å; F428-L637 HydrophobicContact CZ-CD2 3.7Å
429	L	96.8	Very high	93.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-116.5	139.4	171.9	-56	-179.2	0	0	0	109.1	P426 H427 F482 L483 I508 F511	P426-L429 HydrophobicContact CG-CD1 4.29Å; P426-L429 HydrophobicContact CG-CG 4.22Å; P426-L429 PolarHBondContact O-N 2.92Å; H427-L429 PolarHBondContact O-N 3.49Å; L429-F482 HydrophobicContact CD1-CD1 3.58Å; L429-F482 HydrophobicContact CD1-CE1 4.04Å; L429-F482 HydrophobicContact CD1-CG 4.44Å; L429-L483 HydrophobicContact CD1-CD2 4.26Å; L429-L483 HydrophobicContact CD1-CG 4.31Å; L429-I508 HydrophobicContact CD2-CB 3.89Å; L429-I508 HydrophobicContact CD2-CD1 3.97Å; L429-I508 HydrophobicContact CD2-CG1 4.28Å; L429-F511 HydrophobicContact CB-CZ 4.13Å; L429-F511 HydrophobicContact CD2-CE1 4.27Å; L429-F511 HydrophobicContact CD2-CZ 4.16Å
430	T	94.9	Very high	93.1	Very high	4 Å²	4	38.9 Å²	38.9	3%	0.025	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-63.2	145.3	177.1	58.7	0	0	0	0	112.2	R425 E447 V449 K507 I508 A509	R425-T430 PolarHBondContact NE-O 3.39Å; R425-T430 PolarHBondContact NH2-O 3.32Å; T430-E447 WeakPolarHBondContact CA-OE1 3.33Å; T430-V449 HydrophobicContact CG2-CG2 4.16Å; T430-K507 HydrophobicContact CG2-CB 4.06Å; T430-I508 PolarHBondContact N-O 3.04Å; T430-I508 PolarHBondContact OG1-O 2.88Å; T430-A509 HydrophobicContact CG2-CB 3.97Å
431	S	91.9	Very high	93	Very high	33 Å²	33	39.4 Å²	39.4	23%	0.231	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-102.1	135.1	-173.8	-51.1	0	0	0	0	111.3	M446 E447	S431-M446 CarbonylContact O-C 3.59Å; S431-M446 VanDerWaalsContact O-CA 3.28Å; S431-M446 WeakPolarHBondContact O-CA 3.29Å; S431-E447 WeakPolarHBondContact CB-OE1 3.27Å; S431-E447 PolarHBondContact N-OE1 3.36Å; S431-E447 PolarHBondContact O-N 3.14Å; S431-E447 PolarHBondContact OG-OE1 3.31Å
432	L	94.7	Very high	93	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	125.2	172.8	-176.1	73.4	0	0	0	109.9	L420 A421 C434 A435 Y444 M446 F687 N689 F692	L420-L432 HydrophobicContact CB-CB 4.01Å; L420-L432 HydrophobicContact CB-CD2 4.02Å; L420-L432 HydrophobicContact CB-CG 4.48Å; L420-L432 HydrophobicContact CD1-CD1 4.41Å; A421-L432 HydrophobicContact CB-CD2 4.38Å; L432-C434 VanDerWaalsContact CD1-O 3.32Å; L432-C434 WeakPolarHBondContact CD1-O 3.43Å; L432-A435 HydrophobicContact CD2-CB 4.26Å; L432-Y444 HydrophobicContact CD1-CD1 4.36Å; L432-M446 HydrophobicContact CD1-CG 4.15Å; L432-F687 HydrophobicContact CD2-CD1 3.7Å; L432-F687 HydrophobicContact CD2-CE1 4.13Å; L432-N689 WeakPolarHBondContact O-CB 3.26Å; L432-N689 PolarHBondContact O-ND2 3.33Å; L432-F692 WeakPolarHBondContact O-CD2 3.06Å
433	Y	93.4	Very high	93.1	Very high	38 Å²	38	36.7 Å²	36.7	15%	0.149	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-54.7	170.5	171.1	-108.9	0	0	0	110.2	E387 F394 V445 F688 N689 F692	E387-Y433 PolarHBondContact OE1-OH 2.94Å; F394-Y433 HydrophobicContact CD1-CD1 4.49Å; F394-Y433 HydrophobicContact CD1-CG 4.42Å; F394-Y433 AromaticContact CE1-CD1 3.89Å; F394-Y433 HydrophobicContact CE1-CD1 3.89Å; F394-Y433 HydrophobicContact CE1-CD2 4.11Å; F394-Y433 AromaticContact CE1-CG 3.66Å; F394-Y433 HydrophobicContact CE1-CG 3.66Å; F394-Y433 HydrophobicContact CZ-CD1 4.15Å; F394-Y433 HydrophobicContact CZ-CD2 4.4Å; F394-Y433 HydrophobicContact CZ-CE1 4.33Å; F394-Y433 HydrophobicContact CZ-CG 4.19Å; Y433-V445 WeakPolarHBondContact CB-O 3.46Å; Y433-V445 HydrophobicContact CD1-CB 4.36Å; Y433-V445 HydrophobicContact CD1-CG1 3.9Å; Y433-V445 PolarHBondContact N-O 3.49Å; Y433-F688 HydrophobicContact CE1-CE2 4.24Å; Y433-F688 HydrophobicContact CE2-CE2 4.07Å; Y433-F688 HydrophobicContact CE2-CZ 4.14Å; Y433-F688 AromaticContact CZ-CE2 3.77Å; Y433-N689 VanDerWaalsContact O-CB 3.29Å; Y433-N689 WeakPolarHBondContact O-CB 3.47Å; Y433-N689 PolarHBondContact O-N 3.48Å; Y433-F692 HydrophobicContact CD2-CB 4.17Å; Y433-F692 AromaticContact CD2-CD1 3.62Å; Y433-F692 HydrophobicContact CD2-CD1 3.62Å; Y433-F692 HydrophobicContact CD2-CD2 4.48Å; Y433-F692 HydrophobicContact CD2-CE1 4.08Å; Y433-F692 AromaticContact CD2-CG 3.84Å; Y433-F692 HydrophobicContact CD2-CG 3.84Å; Y433-F692 HydrophobicContact CE2-CD1 4.49Å; Y433-F692 HydrophobicContact CG-CD1 4.4Å; Y433-F692 HydrophobicContact CG-CG 4.46Å
434	C	95.1	Very high	93.3	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.014	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	162.4	173.5	74.2	0	0	0	0	111.9	L432 V445 F687 F688	L432-C434 VanDerWaalsContact CD1-O 3.32Å; L432-C434 WeakPolarHBondContact CD1-O 3.43Å; C434-V445 PolarHBondContact N-O 2.78Å; C434-V445 PolarHBondContact O-N 2.92Å; C434-F687 CarbonylContact C-O 3.5Å; C434-F687 WeakPolarHBondContact CA-O 3.35Å; C434-F687 WeakPolarHBondContact CB-O 3.45Å; C434-F688 HydrophobicContact CB-CD2 3.93Å
435	A	96.3	Very high	93.7	Very high	3 Å²	3	24.8 Å²	24.8	3%	0.025	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	135	169.3	0	0	0	0	0	109.3	R417 L432 Y443 F685 S686 F687	R417-A435 HydrophobicContact CG-CB 4.3Å; L432-A435 HydrophobicContact CD2-CB 4.26Å; A435-Y443 CarbonylContact C-O 3.54Å; A435-Y443 VanDerWaalsContact CA-O 3.23Å; A435-Y443 WeakPolarHBondContact CA-O 3.26Å; A435-F685 HydrophobicContact CB-CD1 4.31Å; A435-F685 HydrophobicContact CB-CE1 3.74Å; A435-F685 HydrophobicContact CB-CZ 4.07Å; A435-S686 CarbonylContact O-C 3.25Å; A435-S686 VanDerWaalsContact O-CA 3.29Å; A435-S686 WeakPolarHBondContact O-CA 3.39Å; A435-F687 HydrophobicContact CB-CB 4.34Å; A435-F687 PolarHBondContact N-O 3.04Å; A435-F687 PolarHBondContact O-N 2.76Å; A435-F687 VanDerWaalsContact O-O 3.13Å
436	F	95.4	Very high	93.9	Very high	13 Å²	13	23.7 Å²	23.7	6%	0.057	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	168.2	177.7	67.8	-96.4	0	0	0	111.4	V363 I365 F368 Y443 V445 F685	V363-F436 HydrophobicContact CG1-CD1 4.46Å; I365-F436 HydrophobicContact CB-CE2 4.11Å; I365-F436 HydrophobicContact CB-CZ 4.39Å; F368-F436 HydrophobicContact CD2-CE1 4.24Å; F368-F436 HydrophobicContact CD2-CZ 4.41Å; F368-F436 AromaticContact CE2-CE1 3.81Å; F368-F436 HydrophobicContact CE2-CE1 3.81Å; F368-F436 HydrophobicContact CE2-CZ 4.41Å; F436-Y443 AromaticContact CD2-CD2 3.64Å; F436-Y443 HydrophobicContact CD2-CD2 3.64Å; F436-Y443 HydrophobicContact CD2-CE2 4.35Å; F436-Y443 AromaticContact CD2-CG 3.92Å; F436-Y443 HydrophobicContact CD2-CG 3.92Å; F436-Y443 HydrophobicContact CE1-CG 4.33Å; F436-Y443 AromaticContact CE2-CD1 3.84Å; F436-Y443 HydrophobicContact CE2-CD1 3.84Å; F436-Y443 AromaticContact CE2-CD2 3.34Å; F436-Y443 HydrophobicContact CE2-CD2 3.34Å; F436-Y443 HydrophobicContact CE2-CE1 4.33Å; F436-Y443 AromaticContact CE2-CE2 3.87Å; F436-Y443 HydrophobicContact CE2-CE2 3.87Å; F436-Y443 AromaticContact CE2-CG 3.34Å; F436-Y443 HydrophobicContact CE2-CG 3.34Å; F436-Y443 AromaticContact CZ-CD1 3.82Å; F436-Y443 HydrophobicContact CZ-CD1 3.82Å; F436-Y443 HydrophobicContact CZ-CD2 4.09Å; F436-Y443 AromaticContact CZ-CG 3.59Å; F436-Y443 HydrophobicContact CZ-CG 3.59Å; F436-Y443 PolarHBondContact N-O 3.29Å; F436-Y443 PolarHBondContact O-N 3.37Å; F436-V445 HydrophobicContact CD1-CG2 4.28Å; F436-V445 HydrophobicContact CE1-CG2 3.75Å; F436-F685 VanDerWaalsContact O-CE1 3.28Å; F436-F685 WeakPolarHBondContact O-CE1 3.24Å
437	Q	94.1	Very high	93.7	Very high	54 Å²	54	23.9 Å²	23.9	25%	0.252	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	149.4	-177.3	60.4	177.5	-53.4	0	0	111.4	R441 L442 F682 F685	Q437-R441 VanDerWaalsContact CA-O 3.29Å; Q437-R441 WeakPolarHBondContact CA-O 3.42Å; Q437-R441 WeakPolarHBondContact CB-O 3.4Å; Q437-L442 HydrophobicContact CB-CD2 3.79Å; Q437-F682 PolarHBondContact NE2-O 3.05Å; Q437-F685 HydrophobicContact CB-CD1 4.23Å
438	T	91.3	Very high	93.6	Very high	41 Å²	41	22.5 Å²	22.5	25%	0.252	11%	0.11	S	C	.	.			trans	-104.4	-177.8	164.7	49.1	0	0	0	0	108.9	K401 D440 R441 Y443	K401-T438 PolarHBondContact NZ-O 2.86Å; T438-D440 WeakPolarHBondContact CB-OD1 3.4Å; T438-D440 PolarHBondContact O-N 2.97Å; T438-D440 PolarHBondContact OG1-OD1 2.84Å; T438-R441 PolarHBondContact N-O 2.99Å; T438-R441 WeakPolarHBondContact OG1-CB 3.26Å; T438-R441 PolarHBondContact OG1-N 2.82Å; T438-Y443 HydrophobicContact CG2-CE2 3.86Å; T438-Y443 WeakPolarHBondContact OG1-CE2 3.37Å
439	E	88.4	Confident	93.3	Very high	150 Å²	150	22.8 Å²	22.8	70%	0.701	11%	0.112	S	C	*	.	S	Bend	trans	-58.8	-28.7	172.6	-63.3	173.6	169.1	0	0	111.9	K401 Q679	K401-E439 WeakPolarHBondContact CD-O 3.48Å; E439-Q679 PolarHBondContact O-NE2 2.81Å; E439-Q679 PolarHBondContact O-OE1 3.06Å
440	D	87.4	Confident	92.7	Very high	30 Å²	30	23.7 Å²	23.7	16%	0.16	12%	0.117	C	C	.	.	S	Bend	trans	-111.2	-18.4	-171.2	74.2	-34.4	0	0	0	116	K401 T438 S669 L674	K401-D440 WeakPolarHBondContact CB-O 3.23Å; K401-D440 PolarHBondContact N-O 2.95Å; T438-D440 WeakPolarHBondContact CB-OD1 3.4Å; T438-D440 PolarHBondContact O-N 2.97Å; T438-D440 PolarHBondContact OG1-OD1 2.84Å; D440-S669 WeakPolarHBondContact OD2-CB 3.49Å; D440-S669 PolarHBondContact OD2-OG 3.36Å; D440-L674 HydrophobicContact CB-CD2 3.3Å
441	R	91.5	Very high	92.3	Very high	13 Å²	13	23.5 Å²	23.5	5%	0.049	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	158.3	-168.1	-72.2	157	-156.1	-84.8	-19.2	114.1	V398 L399 K400 Q437 T438 Y443 T667 S669	V398-R441 HydrophobicContact CG1-CB 4.27Å; V398-R441 HydrophobicContact CG1-CG 4.18Å; L399-R441 VanDerWaalsContact O-CA 3.24Å; L399-R441 WeakPolarHBondContact O-CA 3.32Å; L399-R441 VanDerWaalsContact O-CB 3.29Å; L399-R441 WeakPolarHBondContact O-CB 3.47Å; L399-R441 WeakPolarHBondContact O-CG 3.26Å; K400-R441 HydrophobicContact CG-CG 4.45Å; Q437-R441 VanDerWaalsContact CA-O 3.29Å; Q437-R441 WeakPolarHBondContact CA-O 3.42Å; Q437-R441 WeakPolarHBondContact CB-O 3.4Å; T438-R441 PolarHBondContact N-O 2.99Å; T438-R441 WeakPolarHBondContact OG1-CB 3.26Å; T438-R441 PolarHBondContact OG1-N 2.82Å; R441-Y443 HydrophobicContact CB-CD2 4.27Å; R441-Y443 HydrophobicContact CB-CE2 3.5Å; R441-Y443 VanDerWaalsContact CB-CE2 3.5Å; R441-Y443 VanDerWaalsContact CD-OH 3.24Å; R441-Y443 WeakPolarHBondContact CD-OH 3.31Å; R441-T667 PolarHBondContact NH2-O 3.44Å; R441-S669 PolarHBondContact NH2-OG 3.38Å
442	L	93.5	Very high	92.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	138.9	167.3	-54.4	-178.7	0	0	0	109.2	V398 L399 K401 L404 A413 Q437 F682 F685	V398-L442 WeakPolarHBondContact CA-O 3.44Å; L399-L442 HydrophobicContact CB-CB 4.38Å; L399-L442 PolarHBondContact N-O 3.37Å; L399-L442 PolarHBondContact O-N 3.48Å; K401-L442 HydrophobicContact CG-CD2 4.35Å; K401-L442 HydrophobicContact CG-CG 4.31Å; L404-L442 HydrophobicContact CD1-CD1 3.68Å; L404-L442 HydrophobicContact CD1-CG 4.47Å; A413-L442 HydrophobicContact CB-CD1 3.9Å; Q437-L442 HydrophobicContact CB-CD2 3.79Å; L442-F682 HydrophobicContact CD1-CD1 3.84Å; L442-F682 HydrophobicContact CD1-CE1 4Å; L442-F682 HydrophobicContact CD2-CB 4.36Å; L442-F682 HydrophobicContact CD2-CD1 3.84Å; L442-F682 HydrophobicContact CD2-CG 4.29Å; L442-F682 HydrophobicContact CG-CD1 4.25Å; L442-F685 HydrophobicContact CB-CE1 3.92Å; L442-F685 HydrophobicContact CB-CE2 4.11Å; L442-F685 HydrophobicContact CB-CZ 3.71Å; L442-F685 HydrophobicContact CD1-CD2 4.07Å; L442-F685 HydrophobicContact CD1-CE2 3.91Å; L442-F685 HydrophobicContact CD1-CZ 4.37Å; L442-F685 HydrophobicContact CD2-CD1 3.95Å; L442-F685 HydrophobicContact CD2-CD2 4.17Å; L442-F685 HydrophobicContact CD2-CE1 4.22Å; L442-F685 HydrophobicContact CD2-CE2 4.43Å; L442-F685 HydrophobicContact CD2-CG 3.94Å; L442-F685 HydrophobicContact CD2-CZ 4.47Å; L442-F685 HydrophobicContact CG-CE2 4.38Å; L442-F685 HydrophobicContact CG-CZ 4.41Å
443	Y	95.4	Very high	91.8	Very high	3 Å²	3	23.6 Å²	23.6	1%	0.012	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	124.6	-179	-58.7	-103.6	0	0	0	109.7	I365 F370 V396 K397 V398 A435 F436 T438 R441 L666	I365-Y443 HydrophobicContact CD1-CE1 4.14Å; I365-Y443 WeakPolarHBondContact CD1-OH 3.44Å; I365-Y443 HydrophobicContact CG1-CE1 4.31Å; F370-Y443 HydrophobicContact CZ-CE1 4.42Å; V396-Y443 HydrophobicContact CG1-CD1 4.19Å; K397-Y443 WeakPolarHBondContact O-CA 3.11Å; V398-Y443 HydrophobicContact CB-CD1 4.4Å; V398-Y443 HydrophobicContact CB-CE1 4.45Å; V398-Y443 HydrophobicContact CG1-CD1 4.02Å; V398-Y443 HydrophobicContact CG1-CE1 3.7Å; V398-Y443 HydrophobicContact CG2-CD1 3.68Å; V398-Y443 HydrophobicContact CG2-CE1 3.88Å; A435-Y443 CarbonylContact C-O 3.54Å; A435-Y443 VanDerWaalsContact CA-O 3.23Å; A435-Y443 WeakPolarHBondContact CA-O 3.26Å; F436-Y443 AromaticContact CD2-CD2 3.64Å; F436-Y443 HydrophobicContact CD2-CD2 3.64Å; F436-Y443 HydrophobicContact CD2-CE2 4.35Å; F436-Y443 AromaticContact CD2-CG 3.92Å; F436-Y443 HydrophobicContact CD2-CG 3.92Å; F436-Y443 HydrophobicContact CE1-CG 4.33Å; F436-Y443 AromaticContact CE2-CD1 3.84Å; F436-Y443 HydrophobicContact CE2-CD1 3.84Å; F436-Y443 AromaticContact CE2-CD2 3.34Å; F436-Y443 HydrophobicContact CE2-CD2 3.34Å; F436-Y443 HydrophobicContact CE2-CE1 4.33Å; F436-Y443 AromaticContact CE2-CE2 3.87Å; F436-Y443 HydrophobicContact CE2-CE2 3.87Å; F436-Y443 AromaticContact CE2-CG 3.34Å; F436-Y443 HydrophobicContact CE2-CG 3.34Å; F436-Y443 AromaticContact CZ-CD1 3.82Å; F436-Y443 HydrophobicContact CZ-CD1 3.82Å; F436-Y443 HydrophobicContact CZ-CD2 4.09Å; F436-Y443 AromaticContact CZ-CG 3.59Å; F436-Y443 HydrophobicContact CZ-CG 3.59Å; F436-Y443 PolarHBondContact N-O 3.29Å; F436-Y443 PolarHBondContact O-N 3.37Å; T438-Y443 HydrophobicContact CG2-CE2 3.86Å; T438-Y443 WeakPolarHBondContact OG1-CE2 3.37Å; R441-Y443 HydrophobicContact CB-CD2 4.27Å; R441-Y443 HydrophobicContact CB-CE2 3.5Å; R441-Y443 VanDerWaalsContact CB-CE2 3.5Å; R441-Y443 VanDerWaalsContact CD-OH 3.24Å; R441-Y443 WeakPolarHBondContact CD-OH 3.31Å; Y443-L666 HydrophobicContact CE1-CD1 4.07Å
444	Y	95.8	Very high	91.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	117.9	167.2	-48.7	-101.1	0	0	0	108	V396 K397 L399 A413 E416 R417 L420 L432 F685	V396-Y444 CarbonylContact C-O 3.02Å; V396-Y444 VanDerWaalsContact CA-O 3.26Å; V396-Y444 WeakPolarHBondContact CA-O 3.38Å; K397-Y444 HydrophobicContact CB-CD2 3.96Å; K397-Y444 HydrophobicContact CD-CD2 4.07Å; K397-Y444 HydrophobicContact CD-CE2 4.27Å; K397-Y444 HydrophobicContact CG-CD2 4.18Å; K397-Y444 PolarHBondContact N-O 3.32Å; K397-Y444 PolarHBondContact O-N 3.11Å; L399-Y444 HydrophobicContact CD1-CE2 3.77Å; L399-Y444 HydrophobicContact CG-CE2 4.04Å; A413-Y444 WeakPolarHBondContact CA-OH 3.28Å; A413-Y444 PolarHBondContact O-OH 2.9Å; E416-Y444 HydrophobicContact CB-CE1 4.36Å; E416-Y444 HydrophobicContact CG-CE1 3.82Å; E416-Y444 PolarHBondContact OE2-OH 3.44Å; R417-Y444 HydrophobicContact CB-CE1 3.98Å; L420-Y444 HydrophobicContact CD1-CD1 3.91Å; L420-Y444 HydrophobicContact CD1-CE1 4.37Å; L432-Y444 HydrophobicContact CD1-CD1 4.36Å; Y444-F685 HydrophobicContact CD1-CE2 4.3Å; Y444-F685 AromaticContact CD1-CZ 3.87Å; Y444-F685 HydrophobicContact CD1-CZ 3.87Å; Y444-F685 HydrophobicContact CD2-CZ 4.27Å; Y444-F685 AromaticContact CE1-CE2 3.55Å; Y444-F685 HydrophobicContact CE1-CE2 3.55Å; Y444-F685 AromaticContact CE1-CZ 3.56Å; Y444-F685 HydrophobicContact CE1-CZ 3.56Å; Y444-F685 HydrophobicContact CE2-CE2 4.31Å; Y444-F685 HydrophobicContact CE2-CZ 4.02Å; Y444-F685 HydrophobicContact CG-CZ 4.22Å; Y444-F685 AromaticContact CZ-CE2 3.59Å; Y444-F685 AromaticContact CZ-CZ 3.68Å
445	V	95.6	Very high	91.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	109.4	175.6	-174.9	0	0	0	0	107.5	F368 F394 V396 Y433 C434 F436	F368-V445 HydrophobicContact CE1-CG1 3.84Å; F368-V445 HydrophobicContact CE1-CG2 4.46Å; F368-V445 HydrophobicContact CE2-CG2 4.06Å; F368-V445 HydrophobicContact CZ-CB 4.44Å; F368-V445 HydrophobicContact CZ-CG1 3.86Å; F368-V445 HydrophobicContact CZ-CG2 3.86Å; F394-V445 HydrophobicContact CB-CG1 3.66Å; F394-V445 HydrophobicContact CD1-CG1 3.63Å; F394-V445 HydrophobicContact CD2-CG1 4.38Å; F394-V445 HydrophobicContact CE1-CG1 4.35Å; F394-V445 HydrophobicContact CG-CG1 3.63Å; V396-V445 HydrophobicContact CG1-CG2 4.36Å; V396-V445 HydrophobicContact CG2-CG1 4.28Å; V396-V445 HydrophobicContact CG2-CG2 4.22Å; Y433-V445 WeakPolarHBondContact CB-O 3.46Å; Y433-V445 HydrophobicContact CD1-CB 4.36Å; Y433-V445 HydrophobicContact CD1-CG1 3.9Å; Y433-V445 PolarHBondContact N-O 3.49Å; C434-V445 PolarHBondContact N-O 2.78Å; C434-V445 PolarHBondContact O-N 2.92Å; F436-V445 HydrophobicContact CD1-CG2 4.28Å; F436-V445 HydrophobicContact CE1-CG2 3.75Å
446	M	94.1	Very high	90.5	Very high	20 Å²	20	24.8 Å²	24.8	10%	0.099	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	163.1	-172.2	-53.4	174.6	-63.3	0	0	110.9	F394 A395 K397 L420 S431 L432 Y448	F394-M446 WeakPolarHBondContact CA-O 3.17Å; F394-M446 WeakPolarHBondContact CB-O 3.45Å; A395-M446 HydrophobicContact CB-CE 4.34Å; A395-M446 PolarHBondContact N-O 3.27Å; A395-M446 WeakPolarHBondContact O-CB 3.5Å; A395-M446 PolarHBondContact O-N 3.11Å; K397-M446 HydrophobicContact CB-CE 3.81Å; L420-M446 HydrophobicContact CD1-SD 4.28Å; S431-M446 CarbonylContact O-C 3.59Å; S431-M446 VanDerWaalsContact O-CA 3.28Å; S431-M446 WeakPolarHBondContact O-CA 3.29Å; L432-M446 HydrophobicContact CD1-CG 4.15Å; M446-Y448 PolarHBondContact O-N 3.47Å
447	E	91.4	Very high	90	Very high	33 Å²	33	24.6 Å²	24.6	15%	0.154	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54	137.6	169.9	65.3	-179.9	117.3	0	0	111.3	T430 S431 V449 K507 F692	T430-E447 WeakPolarHBondContact CA-OE1 3.33Å; S431-E447 WeakPolarHBondContact CB-OE1 3.27Å; S431-E447 PolarHBondContact N-OE1 3.36Å; S431-E447 PolarHBondContact O-N 3.14Å; S431-E447 PolarHBondContact OG-OE1 3.31Å; E447-V449 HydrophobicContact CG-CG2 3.99Å; E447-V449 PolarHBondContact O-N 3.49Å; E447-K507 VanDerWaalsContact CD-NZ 3.29Å; E447-K507 IonicContact OE1-NZ 3.69Å; E447-K507 PolarHBondContact OE1-NZ 2.8Å; E447-K507 WeakPolarHBondContact OE2-CE 3.4Å; E447-K507 IonicContact OE2-NZ 3.42Å; E447-K507 PolarHBondContact OE2-NZ 3.21Å; E447-F692 HydrophobicContact CB-CE2 4.26Å; E447-F692 HydrophobicContact CB-CZ 4.09Å
448	Y	91.4	Very high	89.5	Confident	33 Å²	33	22.6 Å²	22.6	13%	0.129	11%	0.11	C	C	.	.			trans	-84.5	113.4	173.1	176.4	-127.5	0	0	0	110	L374 L384 L393 M446 D450 G649 F655	L374-Y448 HydrophobicContact CD1-CD2 3.97Å; L374-Y448 HydrophobicContact CD1-CE2 3.78Å; L374-Y448 HydrophobicContact CD2-CE2 4.13Å; L384-Y448 HydrophobicContact CD1-CD1 3.82Å; L384-Y448 HydrophobicContact CD1-CD2 3.65Å; L384-Y448 HydrophobicContact CD1-CE1 3.88Å; L384-Y448 HydrophobicContact CD1-CE2 3.73Å; L384-Y448 HydrophobicContact CD1-CG 3.69Å; L393-Y448 HydrophobicContact CB-CD1 3.8Å; L393-Y448 HydrophobicContact CB-CG 4.29Å; L393-Y448 HydrophobicContact CD1-CD1 3.94Å; L393-Y448 HydrophobicContact CD1-CE1 4.03Å; L393-Y448 WeakPolarHBondContact O-CB 3.28Å; M446-Y448 PolarHBondContact O-N 3.47Å; Y448-D450 HydrophobicContact CD1-CB 4.07Å; Y448-D450 HydrophobicContact CE1-CB 3.49Å; Y448-D450 VanDerWaalsContact CE1-CB 3.49Å; Y448-D450 HydrophobicContact CE2-CB 4.43Å; Y448-G649 PolarHBondContact OH-O 3.27Å; Y448-F655 AromaticContact CE2-CE2 3.75Å; Y448-F655 HydrophobicContact CE2-CE2 3.75Å; Y448-F655 AromaticContact CE2-CZ 3.75Å; Y448-F655 HydrophobicContact CE2-CZ 3.75Å; Y448-F655 AromaticContact CZ-CE2 3.96Å; Y448-F655 WeakPolarHBondContact OH-CE2 3.17Å
449	V	90.7	Very high	88.8	Confident	9 Å²	9	24.2 Å²	24.2	6%	0.055	11%	0.114	C	C	.	.			trans	-99.4	105.5	179.6	-176.9	0	0	0	0	108.3	T430 E447 L499 L500 D501 K507	T430-V449 HydrophobicContact CG2-CG2 4.16Å; E447-V449 HydrophobicContact CG-CG2 3.99Å; E447-V449 PolarHBondContact O-N 3.49Å; V449-L499 HydrophobicContact CB-CB 4.37Å; V449-L499 HydrophobicContact CB-CD1 3.94Å; V449-L499 HydrophobicContact CG1-CB 3.64Å; V449-L499 HydrophobicContact CG1-CD1 4.15Å; V449-L499 HydrophobicContact CG2-CD1 4.41Å; V449-L500 WeakPolarHBondContact CG1-O 3.46Å; V449-D501 HydrophobicContact CG1-CB 4.43Å; V449-K507 HydrophobicContact CG1-CB 4.03Å; V449-K507 HydrophobicContact CG1-CG 4.03Å; V449-K507 HydrophobicContact CG2-CB 4.09Å; V449-K507 HydrophobicContact CG2-CD 4.39Å; V449-K507 HydrophobicContact CG2-CG 3.95Å
450	D	84.6	Confident	88.3	Confident	18 Å²	18	22.9 Å²	22.9	10%	0.096	11%	0.108	C	C	.	.			trans	-98.4	-3.8	-163.8	92.6	-46.1	0	0	0	115.7	Y448 G452 T647 G648 G649 N654	Y448-D450 HydrophobicContact CD1-CB 4.07Å; Y448-D450 HydrophobicContact CE1-CB 3.49Å; Y448-D450 VanDerWaalsContact CE1-CB 3.49Å; Y448-D450 HydrophobicContact CE2-CB 4.43Å; D450-G452 VanDerWaalsContact C-N 3.33Å; D450-G452 PolarHBondContact O-N 3.01Å; D450-T647 WeakPolarHBondContact OD2-CA 3.29Å; D450-T647 VanDerWaalsContact OD2-CB 3.3Å; D450-T647 WeakPolarHBondContact OD2-CB 3.47Å; D450-G648 PolarHBondContact OD2-N 2.98Å; D450-G649 PolarHBondContact OD2-N 3.1Å; D450-G649 VanDerWaalsContact OD2-N 3.16Å; D450-N654 PolarHBondContact O-ND2 3.31Å
451	G	85.8	Confident	88.2	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	-77.7	-10.9	-178.6	0	0	0	0	0	115.3	H457 L500	G451-H457 PolarHBondContact O-CE1 2.89Å; G451-H457 VanDerWaalsContact O-CE1 3.3Å; G451-H457 PolarHBondContact O-NE2 3.16Å; G451-L500 WeakPolarHBondContact CA-O 3.4Å; G451-L500 PolarHBondContact N-O 2.91Å; G451-L500 VanDerWaalsContact N-O 3.09Å
452	G	87.7	Confident	87.8	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.143	C	C	.	.			trans	84	167.5	-177.6	0	0	0	0	0	114	D450 L500	D450-G452 VanDerWaalsContact C-N 3.33Å; D450-G452 PolarHBondContact O-N 3.01Å; G452-L500 PolarHBondContact O-N 3.21Å
453	D	89	Confident	87.7	Confident	35 Å²	35	30.8 Å²	30.8	19%	0.187	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-78.2	159.5	-179.8	54.6	79.9	0	0	0	114.2	M455 F456 H457 V498 L499	D453-M455 PolarHBondContact O-N 3.35Å; D453-M455 WeakPolarHBondContact OD1-CA 3.49Å; D453-M455 WeakPolarHBondContact OD1-CB 3.4Å; D453-M455 PolarHBondContact OD1-N 2.78Å; D453-F456 PolarHBondContact O-N 3.45Å; D453-F456 VanDerWaalsContact OD1-CB 3.3Å; D453-F456 WeakPolarHBondContact OD1-CB 3.45Å; D453-F456 PolarHBondContact OD1-N 3.15Å; D453-H457 PolarHBondContact O-CD2 3.18Å; D453-H457 PolarHBondContact O-N 2.83Å; D453-V498 WeakPolarHBondContact CA-O 3.46Å; D453-L499 HydrophobicContact CB-CD2 3.68Å
454	L	90.1	Very high	87.6	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.6	-24	177	-72.5	-172.9	0	0	0	112.8	H457 I458 F464 Y472 I476 L495 V498 L500 I506 M560	L454-H457 PolarHBondContact O-N 2.79Å; L454-I458 WeakPolarHBondContact O-CB 3.5Å; L454-I458 WeakPolarHBondContact O-CG1 3.29Å; L454-I458 PolarHBondContact O-N 3.38Å; L454-F464 HydrophobicContact CD2-CE2 4.05Å; L454-F464 HydrophobicContact CD2-CZ 4.08Å; L454-Y472 HydrophobicContact CD2-CD2 4.22Å; L454-Y472 HydrophobicContact CD2-CE2 4.32Å; L454-Y472 HydrophobicContact CD2-CG 4.47Å; L454-I476 HydrophobicContact CD1-CD1 4.36Å; L454-L495 HydrophobicContact CB-CB 4.47Å; L454-L495 HydrophobicContact CB-CD2 3.86Å; L454-L495 HydrophobicContact CD1-CD2 4.32Å; L454-L495 PolarHBondContact N-O 3.38Å; L454-V498 HydrophobicContact CD1-CB 4.08Å; L454-V498 HydrophobicContact CD1-CG1 3.55Å; L454-V498 HydrophobicContact CG-CB 4.29Å; L454-V498 HydrophobicContact CG-CG1 3.94Å; L454-V498 PolarHBondContact N-O 3.1Å; L454-L500 HydrophobicContact CD2-CD1 4.31Å; L454-L500 HydrophobicContact CD2-CD2 3.86Å; L454-L500 HydrophobicContact CD2-CG 4.03Å; L454-I506 HydrophobicContact CD1-CD1 3.86Å; L454-I506 HydrophobicContact CD2-CD1 4.2Å; L454-I506 HydrophobicContact CG-CD1 4.21Å; L454-M560 HydrophobicContact CD1-SD 4.25Å
455	M	85.3	Confident	87.6	Confident	10 Å²	10	38.6 Å²	38.6	5%	0.049	19%	0.193	C	C	.	.	H	α-helix	trans	-62.6	-53.3	176.3	-172.5	74.2	76.1	0	0	110.4	L144 D453 H457 I458 Q459 L495 D496	L144-M455 HydrophobicContact CB-CE 4.33Å; L144-M455 HydrophobicContact CB-SD 3.76Å; L144-M455 HydrophobicContact CD1-CE 3.66Å; L144-M455 HydrophobicContact CD1-SD 3.76Å; L144-M455 HydrophobicContact CD2-CE 3.44Å; L144-M455 VanDerWaalsContact CD2-CE 3.44Å; L144-M455 HydrophobicContact CD2-SD 4.04Å; L144-M455 HydrophobicContact CG-CE 3.97Å; L144-M455 HydrophobicContact CG-SD 4.04Å; D453-M455 PolarHBondContact O-N 3.35Å; D453-M455 WeakPolarHBondContact OD1-CA 3.49Å; D453-M455 WeakPolarHBondContact OD1-CB 3.4Å; D453-M455 PolarHBondContact OD1-N 2.78Å; M455-H457 VanDerWaalsContact C-N 3.29Å; M455-H457 PolarHBondContact O-N 2.78Å; M455-I458 PolarHBondContact O-N 2.78Å; M455-Q459 WeakPolarHBondContact O-CB 3.47Å; M455-Q459 VanDerWaalsContact O-CG 3.31Å; M455-Q459 WeakPolarHBondContact O-CG 3.35Å; M455-Q459 PolarHBondContact O-N 3.28Å; M455-L495 HydrophobicContact CB-CB 4.04Å; M455-L495 HydrophobicContact CE-CB 3.79Å; M455-L495 HydrophobicContact CE-CD1 4.33Å; M455-L495 HydrophobicContact SD-CB 4.17Å; M455-L495 HydrophobicContact SD-CD1 4.05Å; M455-D496 VanDerWaalsContact CE-CG 3.43Å; M455-D496 VanDerWaalsContact CE-OD1 3.23Å; M455-D496 WeakPolarHBondContact CE-OD1 3.33Å; M455-D496 WeakPolarHBondContact CE-OD2 3.49Å
456	F	82.6	Confident	87.6	Confident	59 Å²	59	41.3 Å²	41.3	26%	0.259	21%	0.206	S	C	.	.	H	α-helix	trans	-56.3	-39.9	176.7	172.7	-114.1	0	0	0	112.5	D453 Q460 N654	D453-F456 PolarHBondContact O-N 3.45Å; D453-F456 VanDerWaalsContact OD1-CB 3.3Å; D453-F456 WeakPolarHBondContact OD1-CB 3.45Å; D453-F456 PolarHBondContact OD1-N 3.15Å; F456-Q460 VanDerWaalsContact CZ-NE2 3.3Å; F456-Q460 WeakPolarHBondContact O-CG 3.17Å; F456-Q460 PolarHBondContact O-N 3.01Å; F456-Q460 PolarHBondContact O-NE2 2.9Å; F456-N654 HydrophobicContact CE1-CB 3.9Å
457	H	85.5	Confident	87.7	Confident	9 Å²	9	44.8 Å²	44.8	4%	0.042	23%	0.23	C	C	.	.	H	α-helix	trans	-71.2	-42	176.3	-67.5	-55.8	0	0	0	112.5	G451 D453 L454 M455 Q460 V461 F464 F643	G451-H457 PolarHBondContact O-CE1 2.89Å; G451-H457 VanDerWaalsContact O-CE1 3.3Å; G451-H457 PolarHBondContact O-NE2 3.16Å; D453-H457 PolarHBondContact O-CD2 3.18Å; D453-H457 PolarHBondContact O-N 2.83Å; L454-H457 PolarHBondContact O-N 2.79Å; M455-H457 VanDerWaalsContact C-N 3.29Å; M455-H457 PolarHBondContact O-N 2.78Å; H457-Q460 PolarHBondContact O-N 3.14Å; H457-V461 WeakPolarHBondContact O-CG2 3.34Å; H457-V461 PolarHBondContact O-N 3.46Å; H457-F464 HydrophobicContact CB-CE1 4.19Å; H457-F464 HydrophobicContact CB-CZ 3.98Å; H457-F643 AromaticContact CE1-CE1 3.64Å; H457-F643 AromaticContact ND1-CE1 3.61Å; H457-F643 AromaticContact ND1-CZ 3.9Å
458	I	82.7	Confident	87.9	Confident	11 Å²	11	45.5 Å²	45.5	6%	0.056	23%	0.233	C	C	.	.	H	α-helix	trans	-63.5	-40.9	174	-72.6	177.5	0	0	0	111.3	L454 M455 Q460 V461 G462 F464 L495 M560	L454-I458 WeakPolarHBondContact O-CB 3.5Å; L454-I458 WeakPolarHBondContact O-CG1 3.29Å; L454-I458 PolarHBondContact O-N 3.38Å; M455-I458 PolarHBondContact O-N 2.78Å; I458-Q460 PolarHBondContact O-N 3.16Å; I458-V461 PolarHBondContact O-N 2.66Å; I458-G462 VanDerWaalsContact O-CA 3.3Å; I458-G462 WeakPolarHBondContact O-CA 3.45Å; I458-G462 PolarHBondContact O-N 2.9Å; I458-F464 HydrophobicContact CD1-CD2 4.13Å; I458-F464 HydrophobicContact CD1-CE2 3.77Å; I458-F464 HydrophobicContact CD1-CZ 4.34Å; I458-F464 HydrophobicContact CG1-CD2 3.95Å; I458-F464 HydrophobicContact CG1-CE1 4.1Å; I458-F464 HydrophobicContact CG1-CE2 3.46Å; I458-F464 VanDerWaalsContact CG1-CE2 3.46Å; I458-F464 HydrophobicContact CG1-CG 4.45Å; I458-F464 HydrophobicContact CG1-CZ 3.54Å; I458-L495 HydrophobicContact CD1-CD1 3.77Å; I458-L495 HydrophobicContact CD1-CD2 3.59Å; I458-L495 HydrophobicContact CD1-CG 4.33Å; I458-M560 HydrophobicContact CD1-CG 4.07Å
459	Q	75.4	Confident	88.3	Confident	75 Å²	75	44 Å²	44	35%	0.35	23%	0.228	S	C	.	.	H	α-helix	trans	-58.6	-31.4	176.3	-75.4	178.7	-3.7	0	0	112.7	L144 I145 M455	L144-Q459 PolarHBondContact O-NE2 3.24Å; L144-Q459 VanDerWaalsContact O-NE2 3.11Å; I145-Q459 HydrophobicContact CG2-CG 3.91Å; M455-Q459 WeakPolarHBondContact O-CB 3.47Å; M455-Q459 VanDerWaalsContact O-CG 3.31Å; M455-Q459 WeakPolarHBondContact O-CG 3.35Å; M455-Q459 PolarHBondContact O-N 3.28Å
460	Q	78.7	Confident	88.6	Confident	123 Å²	123	44 Å²	44	58%	0.575	23%	0.229	S	C	*	.	H	α-helix	trans	-77.5	-39.9	175.7	-72.2	176	67.9	0	0	113.8	F456 H457 I458	F456-Q460 VanDerWaalsContact CZ-NE2 3.3Å; F456-Q460 WeakPolarHBondContact O-CG 3.17Å; F456-Q460 PolarHBondContact O-N 3.01Å; F456-Q460 PolarHBondContact O-NE2 2.9Å; H457-Q460 PolarHBondContact O-N 3.14Å; I458-Q460 PolarHBondContact O-N 3.16Å
461	V	85.3	Confident	89.3	Confident	91 Å²	91	43.7 Å²	43.7	55%	0.552	23%	0.226	S	C	*	.	H	α-helix	trans	-100.6	-6.4	-174	-55	0	0	0	0	114.5	H457 I458 K463 F464	H457-V461 WeakPolarHBondContact O-CG2 3.34Å; H457-V461 PolarHBondContact O-N 3.46Å; I458-V461 PolarHBondContact O-N 2.66Å; V461-K463 WeakPolarHBondContact CG2-O 3.49Å; V461-K463 PolarHBondContact O-N 2.88Å; V461-F464 HydrophobicContact CG2-CD1 3.79Å; V461-F464 HydrophobicContact CG2-CE1 3.92Å
462	G	83.1	Confident	89.9	Confident	37 Å²	37	43.8 Å²	43.8	38%	0.381	23%	0.227	S	C	.	.	S	Bend	trans	74.6	-43	-173.8	0	0	0	0	0	113.9	I458 G563	I458-G462 VanDerWaalsContact O-CA 3.3Å; I458-G462 WeakPolarHBondContact O-CA 3.45Å; I458-G462 PolarHBondContact O-N 2.9Å; G462-G563 WeakPolarHBondContact O-CA 3.4Å
463	K	90.8	Very high	90.4	Very high	80 Å²	80	43.8 Å²	43.8	35%	0.348	23%	0.227	S	C	.	.	S	Bend	trans	-163.7	157.2	170.9	62.3	-174	-179.5	179.3	0	111.8	V461 N589	V461-K463 WeakPolarHBondContact CG2-O 3.49Å; V461-K463 PolarHBondContact O-N 2.88Å; K463-N589 PolarHBondContact NZ-ND2 3.07Å
464	F	93.6	Very high	90.9	Very high	20 Å²	20	42.1 Å²	42.1	9%	0.088	22%	0.218	C	C	.	.			trans	-79.1	157	175.2	-64.5	-41.5	0	0	0	112.5	L454 H457 I458 V461 H468 A469 Y472 M560	L454-F464 HydrophobicContact CD2-CE2 4.05Å; L454-F464 HydrophobicContact CD2-CZ 4.08Å; H457-F464 HydrophobicContact CB-CE1 4.19Å; H457-F464 HydrophobicContact CB-CZ 3.98Å; I458-F464 HydrophobicContact CD1-CD2 4.13Å; I458-F464 HydrophobicContact CD1-CE2 3.77Å; I458-F464 HydrophobicContact CD1-CZ 4.34Å; I458-F464 HydrophobicContact CG1-CD2 3.95Å; I458-F464 HydrophobicContact CG1-CE1 4.1Å; I458-F464 HydrophobicContact CG1-CE2 3.46Å; I458-F464 VanDerWaalsContact CG1-CE2 3.46Å; I458-F464 HydrophobicContact CG1-CG 4.45Å; I458-F464 HydrophobicContact CG1-CZ 3.54Å; V461-F464 HydrophobicContact CG2-CD1 3.79Å; V461-F464 HydrophobicContact CG2-CE1 3.92Å; F464-H468 HydrophobicContact CB-CB 4.21Å; F464-A469 HydrophobicContact CB-CB 4.37Å; F464-Y472 HydrophobicContact CD2-CD2 4.19Å; F464-Y472 HydrophobicContact CD2-CE2 4.46Å; F464-Y472 HydrophobicContact CE2-CD2 4.04Å; F464-Y472 HydrophobicContact CE2-CE2 4.17Å; F464-Y472 HydrophobicContact CZ-CE2 4.21Å; F464-M560 WeakPolarHBondContact CB-O 2.93Å; F464-M560 HydrophobicContact CD2-CB 3.93Å; F464-M560 HydrophobicContact CD2-CG 3.73Å; F464-M560 HydrophobicContact CD2-SD 3.87Å; F464-M560 HydrophobicContact CE2-CG 4.09Å; F464-M560 HydrophobicContact CE2-SD 4.11Å; F464-M560 PolarHBondContact N-O 2.93Å
465	K	95.4	Very high	91.3	Very high	147 Å²	147	42.1 Å²	42.1	64%	0.639	22%	0.218	S	C	*	.			trans	-76.4	148.5	167.6	-63.1	172.5	-173.2	162.6	0	108.7	P467 H468 A469	K465-P467 VanDerWaalsContact C-CD 3.48Å; K465-P467 VanDerWaalsContact C-N 3.33Å; K465-P467 VanDerWaalsContact O-N 3.15Å; K465-H468 WeakPolarHBondContact O-CA 3.24Å; K465-H468 WeakPolarHBondContact O-CB 3.48Å; K465-H468 PolarHBondContact O-N 3.45Å; K465-A469 PolarHBondContact O-N 3.23Å
466	E	96.4	Very high	92	Very high	58 Å²	58	41.6 Å²	41.6	27%	0.271	22%	0.216	S	C	.	.	H	α-helix	trans	-50.1	-41.4	-176.5	-164	171.1	129	0	0	114.4	H468 A469 A470 L561 S591 F625	E466-H468 PolarHBondContact O-N 2.94Å; E466-A469 PolarHBondContact O-N 3.12Å; E466-A470 WeakPolarHBondContact O-CB 3.49Å; E466-A470 PolarHBondContact O-N 3.42Å; E466-L561 HydrophobicContact CB-CD2 4.22Å; E466-L561 HydrophobicContact CG-CD2 3.98Å; E466-S591 WeakPolarHBondContact OE1-CB 3.36Å; E466-S591 PolarHBondContact OE1-OG 3.16Å; E466-S591 VanDerWaalsContact OE2-CB 3.25Å; E466-S591 WeakPolarHBondContact OE2-CB 3.03Å; E466-S591 PolarHBondContact OE2-N 3.18Å; E466-S591 PolarHBondContact OE2-OG 3.38Å; E466-S591 VanDerWaalsContact OE2-OG 3.1Å; E466-F625 HydrophobicContact CG-CE2 3.74Å; E466-F625 HydrophobicContact CG-CZ 4.37Å
467	P	96.2	Very high	92.7	Very high	92 Å²	92	38.8 Å²	38.8	60%	0.597	20%	0.203	S	C	*	.	H	α-helix	trans	-67.6	-29.2	175.2	-21.6	35.1	0	0	0	114.7	K465 F471	K465-P467 VanDerWaalsContact C-CD 3.48Å; K465-P467 VanDerWaalsContact C-N 3.33Å; K465-P467 VanDerWaalsContact O-N 3.15Å; P467-F471 PolarHBondContact O-N 2.7Å; P467-F471 VanDerWaalsContact O-N 3.13Å
468	H	96.8	Very high	93.3	Very high	49 Å²	49	38.7 Å²	38.7	23%	0.227	20%	0.203	C	C	.	.	H	α-helix	trans	-74.5	-45.2	176.7	-53.5	-1.2	0	0	0	109.7	F464 K465 E466 A470 F471 Y472 P642	F464-H468 HydrophobicContact CB-CB 4.21Å; K465-H468 WeakPolarHBondContact O-CA 3.24Å; K465-H468 WeakPolarHBondContact O-CB 3.48Å; K465-H468 PolarHBondContact O-N 3.45Å; E466-H468 PolarHBondContact O-N 2.94Å; H468-A470 VanDerWaalsContact C-N 3.29Å; H468-A470 PolarHBondContact O-N 2.9Å; H468-F471 PolarHBondContact O-N 2.69Å; H468-Y472 HydrophobicContact CB-CE2 4.43Å; H468-Y472 VanDerWaalsContact O-CD2 3.28Å; H468-Y472 WeakPolarHBondContact O-CD2 3.24Å; H468-Y472 PolarHBondContact O-N 3Å; H468-P642 HydrophobicContact CB-CB 4.05Å; H468-P642 HydrophobicContact CB-CG 4.04Å; H468-P642 WeakPolarHBondContact ND1-CB 3.35Å
469	A	97.9	Very high	94.1	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.008	20%	0.2	C	C	.	.	H	α-helix	trans	-60.6	-37.3	173.9	0	0	0	0	0	112	F464 K465 E466 A473 M560 L561	F464-A469 HydrophobicContact CB-CB 4.37Å; K465-A469 PolarHBondContact O-N 3.23Å; E466-A469 PolarHBondContact O-N 3.12Å; A469-A473 WeakPolarHBondContact O-CB 3.08Å; A469-A473 PolarHBondContact O-N 3.17Å; A469-M560 HydrophobicContact CB-CB 3.88Å; A469-M560 HydrophobicContact CB-CE 4.31Å; A469-M560 HydrophobicContact CB-SD 4.46Å; A469-M560 WeakPolarHBondContact O-CE 3.29Å; A469-L561 HydrophobicContact CB-CD2 3.66Å; A469-L561 HydrophobicContact CB-CG 4.02Å
470	A	98.4	Very high	95.2	Very high	10 Å²	10	34.6 Å²	34.6	8%	0.083	18%	0.184	C	C	.	.	H	α-helix	trans	-67.9	-39.4	175.7	0	0	0	0	0	113.3	E466 H468 A474 F625 F626	E466-A470 WeakPolarHBondContact O-CB 3.49Å; E466-A470 PolarHBondContact O-N 3.42Å; H468-A470 VanDerWaalsContact C-N 3.29Å; H468-A470 PolarHBondContact O-N 2.9Å; A470-A474 WeakPolarHBondContact O-CB 3.14Å; A470-A474 PolarHBondContact O-N 3.16Å; A470-A474 VanDerWaalsContact O-N 3.13Å; A470-F625 HydrophobicContact CB-CD1 4.36Å; A470-F625 HydrophobicContact CB-CE1 3.68Å; A470-F625 HydrophobicContact CB-CZ 3.88Å; A470-F626 WeakPolarHBondContact O-CE1 3.48Å
471	F	98.7	Very high	96.1	Very high	10 Å²	10	29.4 Å²	29.4	4%	0.044	16%	0.159	C	C	.	.	H	α-helix	trans	-62.5	-56.7	174	179.2	-87.8	0	0	0	111.1	P467 H468 A473 A474 E475 H505 L634 I639 P641 P642	P467-F471 PolarHBondContact O-N 2.7Å; P467-F471 VanDerWaalsContact O-N 3.13Å; H468-F471 PolarHBondContact O-N 2.69Å; F471-A473 PolarHBondContact O-N 3.48Å; F471-A474 PolarHBondContact O-N 2.96Å; F471-A474 VanDerWaalsContact O-N 3.09Å; F471-E475 HydrophobicContact CE1-CG 4.26Å; F471-E475 WeakPolarHBondContact CE1-OE1 3.44Å; F471-E475 WeakPolarHBondContact CE1-OE2 3.21Å; F471-E475 HydrophobicContact CZ-CG 4.46Å; F471-E475 WeakPolarHBondContact CZ-OE1 3.24Å; F471-E475 PolarHBondContact O-N 3.31Å; F471-E475 VanDerWaalsContact O-N 3.16Å; F471-H505 AromaticContact CZ-ND1 3.78Å; F471-L634 HydrophobicContact CD2-CD1 4.08Å; F471-L634 HydrophobicContact CE2-CD1 3.75Å; F471-L634 HydrophobicContact CZ-CD1 4.31Å; F471-I639 HydrophobicContact CD2-CG2 4.06Å; F471-I639 HydrophobicContact CE2-CB 4.18Å; F471-I639 HydrophobicContact CE2-CG2 3.79Å; F471-P641 HydrophobicContact CE1-CB 4.21Å; F471-P641 HydrophobicContact CE1-CG 4.42Å; F471-P641 HydrophobicContact CZ-CB 4.2Å; F471-P641 HydrophobicContact CZ-CG 4.09Å; F471-P642 HydrophobicContact CB-CG 4.24Å; F471-P642 HydrophobicContact CD1-CG 3.94Å; F471-P642 HydrophobicContact CG-CG 4.18Å
472	Y	98.6	Very high	96.7	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.008	14%	0.138	C	C	.	.	H	α-helix	trans	-62.5	-40.1	-178.8	-62.6	-42	0	0	0	112.4	L454 F464 H468 A474 E475 I476 L500 I506 M560 P642	L454-Y472 HydrophobicContact CD2-CD2 4.22Å; L454-Y472 HydrophobicContact CD2-CE2 4.32Å; L454-Y472 HydrophobicContact CD2-CG 4.47Å; F464-Y472 HydrophobicContact CD2-CD2 4.19Å; F464-Y472 HydrophobicContact CD2-CE2 4.46Å; F464-Y472 HydrophobicContact CE2-CD2 4.04Å; F464-Y472 HydrophobicContact CE2-CE2 4.17Å; F464-Y472 HydrophobicContact CZ-CE2 4.21Å; H468-Y472 HydrophobicContact CB-CE2 4.43Å; H468-Y472 VanDerWaalsContact O-CD2 3.28Å; H468-Y472 WeakPolarHBondContact O-CD2 3.24Å; H468-Y472 PolarHBondContact O-N 3Å; Y472-A474 VanDerWaalsContact C-N 3.29Å; Y472-A474 PolarHBondContact O-N 3.26Å; Y472-E475 PolarHBondContact O-N 2.79Å; Y472-I476 WeakPolarHBondContact O-CB 3.2Å; Y472-I476 WeakPolarHBondContact O-CD1 3.47Å; Y472-I476 WeakPolarHBondContact O-CG1 3.31Å; Y472-I476 PolarHBondContact O-N 3.24Å; Y472-L500 HydrophobicContact CD1-CD2 4.17Å; Y472-L500 HydrophobicContact CE1-CD2 3.66Å; Y472-I506 HydrophobicContact CD1-CD1 3.72Å; Y472-I506 HydrophobicContact CD1-CG1 3.77Å; Y472-I506 HydrophobicContact CG-CD1 4.05Å; Y472-I506 HydrophobicContact CG-CG1 4.39Å; Y472-M560 HydrophobicContact CD2-SD 4.44Å; Y472-P642 HydrophobicContact CE1-CG 4.09Å; Y472-P642 HydrophobicContact CE2-CG 4.17Å
473	A	98.7	Very high	97.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.2	-35.3	175.5	0	0	0	0	0	112.6	A469 F471 A477 Y553 M557 M560 F626	A469-A473 WeakPolarHBondContact O-CB 3.08Å; A469-A473 PolarHBondContact O-N 3.17Å; F471-A473 PolarHBondContact O-N 3.48Å; A473-A477 WeakPolarHBondContact O-CB 3.43Å; A473-A477 PolarHBondContact O-N 3.24Å; A473-Y553 HydrophobicContact CB-CE2 4.28Å; A473-Y553 VanDerWaalsContact O-CE2 3.27Å; A473-Y553 WeakPolarHBondContact O-CE2 3.43Å; A473-Y553 PolarHBondContact O-OH 3.02Å; A473-M557 HydrophobicContact CB-CE 3.81Å; A473-M557 HydrophobicContact CB-CG 3.93Å; A473-M557 HydrophobicContact CB-SD 4.02Å; A473-M560 HydrophobicContact CB-CE 3.89Å; A473-F626 HydrophobicContact CB-CE1 3.99Å; A473-F626 HydrophobicContact CB-CZ 4.01Å
474	A	98.8	Very high	97.7	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-70	-43.2	177.8	0	0	0	0	0	111.9	A470 F471 Y472 I476 A477 V478 F626 I629 W631 L634	A470-A474 WeakPolarHBondContact O-CB 3.14Å; A470-A474 PolarHBondContact O-N 3.16Å; A470-A474 VanDerWaalsContact O-N 3.13Å; F471-A474 PolarHBondContact O-N 2.96Å; F471-A474 VanDerWaalsContact O-N 3.09Å; Y472-A474 VanDerWaalsContact C-N 3.29Å; Y472-A474 PolarHBondContact O-N 3.26Å; A474-I476 PolarHBondContact O-N 2.77Å; A474-A477 WeakPolarHBondContact O-CB 3.37Å; A474-A477 PolarHBondContact O-N 3.46Å; A474-V478 PolarHBondContact O-N 2.81Å; A474-F626 HydrophobicContact CB-CD1 4.17Å; A474-F626 HydrophobicContact CB-CE1 4.06Å; A474-I629 HydrophobicContact CB-CG1 4.28Å; A474-I629 HydrophobicContact CB-CG2 4Å; A474-W631 HydrophobicContact CB-CE3 4.37Å; A474-W631 HydrophobicContact CB-CH2 3.66Å; A474-W631 HydrophobicContact CB-CZ2 4.35Å; A474-W631 HydrophobicContact CB-CZ3 3.68Å; A474-W631 WeakPolarHBondContact O-CZ3 3.27Å; A474-L634 HydrophobicContact CB-CD2 3.43Å; A474-L634 VanDerWaalsContact CB-CD2 3.43Å
475	E	98.8	Very high	97.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.2	-41.3	176.3	-63.4	-169.1	148	0	0	112.1	F428 F471 Y472 A477 V478 G479 H505 I506 L634	F428-E475 HydrophobicContact CD1-CB 3.76Å; F428-E475 HydrophobicContact CD1-CG 4.01Å; F428-E475 HydrophobicContact CD2-CB 4.14Å; F428-E475 WeakPolarHBondContact CD2-O 3.05Å; F428-E475 HydrophobicContact CE1-CB 3.86Å; F428-E475 HydrophobicContact CE1-CG 3.58Å; F428-E475 WeakPolarHBondContact CE1-OE1 3.22Å; F428-E475 HydrophobicContact CE2-CB 4.23Å; F428-E475 HydrophobicContact CE2-CG 4.22Å; F428-E475 HydrophobicContact CG-CB 3.9Å; F428-E475 HydrophobicContact CZ-CB 4.09Å; F428-E475 HydrophobicContact CZ-CG 3.68Å; F471-E475 HydrophobicContact CE1-CG 4.26Å; F471-E475 WeakPolarHBondContact CE1-OE1 3.44Å; F471-E475 WeakPolarHBondContact CE1-OE2 3.21Å; F471-E475 HydrophobicContact CZ-CG 4.46Å; F471-E475 WeakPolarHBondContact CZ-OE1 3.24Å; F471-E475 PolarHBondContact O-N 3.31Å; F471-E475 VanDerWaalsContact O-N 3.16Å; Y472-E475 PolarHBondContact O-N 2.79Å; E475-A477 VanDerWaalsContact C-N 3.32Å; E475-A477 PolarHBondContact O-N 3.33Å; E475-V478 PolarHBondContact O-N 2.91Å; E475-G479 PolarHBondContact O-N 3.16Å; E475-H505 IonicContact OE1-CE1 2.9Å; E475-H505 IonicContact OE1-CG 2.72Å; E475-H505 IonicContact OE1-ND1 3.3Å; E475-H505 PolarHBondContact OE1-ND1 3.18Å; E475-I506 HydrophobicContact CB-CB 3.8Å; E475-I506 HydrophobicContact CB-CG1 3.86Å; E475-I506 HydrophobicContact CB-CG2 4.47Å; E475-I506 WeakPolarHBondContact OE2-CB 3.46Å; E475-I506 VanDerWaalsContact OE2-CG1 3.24Å; E475-I506 WeakPolarHBondContact OE2-CG1 2.99Å; E475-I506 PolarHBondContact OE2-N 3.21Å; E475-L634 HydrophobicContact CG-CD1 3.82Å; E475-L634 HydrophobicContact CG-CD2 3.95Å; E475-L634 HydrophobicContact CG-CG 3.99Å
476	I	98.8	Very high	97.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59.4	-43.6	172.2	-65.3	163.3	0	0	0	110.6	L454 Y472 A474 V478 G479 L480 L493 V498 I506 I508 Y553 L556	L454-I476 HydrophobicContact CD1-CD1 4.36Å; Y472-I476 WeakPolarHBondContact O-CB 3.2Å; Y472-I476 WeakPolarHBondContact O-CD1 3.47Å; Y472-I476 WeakPolarHBondContact O-CG1 3.31Å; Y472-I476 PolarHBondContact O-N 3.24Å; A474-I476 PolarHBondContact O-N 2.77Å; I476-V478 PolarHBondContact O-N 3.27Å; I476-G479 PolarHBondContact O-N 3.19Å; I476-L480 HydrophobicContact CG2-CD1 4.26Å; I476-L480 WeakPolarHBondContact O-CG 3.34Å; I476-L480 PolarHBondContact O-N 3.34Å; I476-L493 HydrophobicContact CG2-CD1 4.1Å; I476-L493 HydrophobicContact CG2-CD2 4.07Å; I476-V498 HydrophobicContact CD1-CG1 3.93Å; I476-V498 HydrophobicContact CG1-CG1 3.97Å; I476-I506 HydrophobicContact CD1-CD1 4.44Å; I476-I506 HydrophobicContact CG1-CD1 4.29Å; I476-I506 HydrophobicContact CG1-CG1 4.39Å; I476-I506 HydrophobicContact CG1-CG2 3.89Å; I476-I508 HydrophobicContact CG2-CD1 4.15Å; I476-Y553 HydrophobicContact CB-CE2 4.15Å; I476-Y553 HydrophobicContact CG2-CD2 3.78Å; I476-Y553 HydrophobicContact CG2-CE2 3.89Å; I476-L556 HydrophobicContact CD1-CD1 4.43Å; I476-L556 HydrophobicContact CD1-CD2 3.79Å
477	A	98.6	Very high	97.9	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-63.1	-39.9	-179.9	0	0	0	0	0	112.6	A473 A474 E475 G479 L480 F481 W550 Y553 W631	A473-A477 WeakPolarHBondContact O-CB 3.43Å; A473-A477 PolarHBondContact O-N 3.24Å; A474-A477 WeakPolarHBondContact O-CB 3.37Å; A474-A477 PolarHBondContact O-N 3.46Å; E475-A477 VanDerWaalsContact C-N 3.32Å; E475-A477 PolarHBondContact O-N 3.33Å; A477-G479 VanDerWaalsContact C-N 3.31Å; A477-G479 PolarHBondContact O-N 3.17Å; A477-L480 PolarHBondContact O-N 3.43Å; A477-L480 VanDerWaalsContact O-N 3.15Å; A477-F481 HydrophobicContact CB-CD2 4.46Å; A477-F481 HydrophobicContact CB-CE2 3.78Å; A477-F481 HydrophobicContact CB-CZ 3.87Å; A477-F481 WeakPolarHBondContact O-CD2 3.39Å; A477-F481 WeakPolarHBondContact O-CG 3.42Å; A477-F481 PolarHBondContact O-N 2.8Å; A477-W550 HydrophobicContact CB-CH2 4.36Å; A477-W550 HydrophobicContact CB-CZ3 4.36Å; A477-Y553 HydrophobicContact CB-CE2 4.2Å; A477-W631 HydrophobicContact CB-CH2 4.25Å; A477-W631 HydrophobicContact CB-CZ3 4.24Å
478	V	98.6	Very high	98	Very high	6 Å²	6	14.9 Å²	14.9	4%	0.036	8%	0.077	C	C	.	.	H	α-helix	trans	-58	-43.6	172.9	171.4	0	0	0	0	111.2	P426 F428 A474 E475 I476 L480 F481 F482 W631 E635	P426-V478 HydrophobicContact CB-CG1 3.85Å; P426-V478 HydrophobicContact CG-CG1 4.24Å; F428-V478 HydrophobicContact CD2-CB 3.79Å; F428-V478 HydrophobicContact CD2-CG1 3.7Å; F428-V478 HydrophobicContact CE2-CB 4.05Å; F428-V478 HydrophobicContact CE2-CG1 3.94Å; F428-V478 HydrophobicContact CE2-CG2 4.34Å; A474-V478 PolarHBondContact O-N 2.81Å; E475-V478 PolarHBondContact O-N 2.91Å; I476-V478 PolarHBondContact O-N 3.27Å; V478-L480 VanDerWaalsContact C-N 3.34Å; V478-L480 PolarHBondContact O-N 2.86Å; V478-F481 PolarHBondContact O-N 2.58Å; V478-F482 PolarHBondContact O-N 2.56Å; V478-W631 HydrophobicContact CG2-CE3 4.08Å; V478-W631 HydrophobicContact CG2-CZ3 4.15Å; V478-E635 HydrophobicContact CB-CG 4.43Å; V478-E635 HydrophobicContact CG1-CG 3.83Å; V478-E635 HydrophobicContact CG2-CG 3.66Å
479	G	98.2	Very high	98	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-58.7	-43.5	174.3	0	0	0	0	0	112.9	E475 I476 A477 L483	E475-G479 PolarHBondContact O-N 3.16Å; I476-G479 PolarHBondContact O-N 3.19Å; A477-G479 VanDerWaalsContact C-N 3.31Å; A477-G479 PolarHBondContact O-N 3.17Å; G479-L483 WeakPolarHBondContact O-CG 3.46Å; G479-L483 PolarHBondContact O-N 3.44Å
480	L	98.4	Very high	98	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-68.1	-43.9	176.5	-64.8	174.7	0	0	0	112.7	I476 A477 V478 F482 L483 H484 L493 D549 W550 Y553	I476-L480 HydrophobicContact CG2-CD1 4.26Å; I476-L480 WeakPolarHBondContact O-CG 3.34Å; I476-L480 PolarHBondContact O-N 3.34Å; A477-L480 PolarHBondContact O-N 3.43Å; A477-L480 VanDerWaalsContact O-N 3.15Å; V478-L480 VanDerWaalsContact C-N 3.34Å; V478-L480 PolarHBondContact O-N 2.86Å; L480-F482 VanDerWaalsContact C-N 3.3Å; L480-F482 PolarHBondContact O-N 2.75Å; L480-L483 PolarHBondContact O-N 3.43Å; L480-H484 WeakPolarHBondContact O-CB 3.47Å; L480-H484 PolarHBondContact O-CD2 3.19Å; L480-H484 VanDerWaalsContact O-CG 3.25Å; L480-H484 PolarHBondContact O-N 2.85Å; L480-L493 HydrophobicContact CD1-CD2 3.92Å; L480-L493 HydrophobicContact CD2-CD2 4.47Å; L480-D549 HydrophobicContact CD2-CB 4.27Å; L480-W550 HydrophobicContact CB-CH2 3.66Å; L480-W550 HydrophobicContact CB-CZ2 4.04Å; L480-W550 HydrophobicContact CB-CZ3 4.3Å; L480-W550 HydrophobicContact CD1-CE3 4.1Å; L480-W550 HydrophobicContact CD1-CH2 3.84Å; L480-W550 HydrophobicContact CD1-CZ3 3.59Å; L480-W550 HydrophobicContact CG-CH2 4.43Å; L480-Y553 HydrophobicContact CD1-CD2 3.96Å; L480-Y553 HydrophobicContact CD1-CG 4.23Å
481	F	97.9	Very high	97.9	Very high	15 Å²	15	13 Å²	13	7%	0.066	7%	0.066	C	C	.	.	H	α-helix	trans	-57.8	-43.6	176.1	-59.7	-38.1	0	0	0	110.9	A477 V478 H484 S485 W550 E617 I620 K621 W631	A477-F481 HydrophobicContact CB-CD2 4.46Å; A477-F481 HydrophobicContact CB-CE2 3.78Å; A477-F481 HydrophobicContact CB-CZ 3.87Å; A477-F481 WeakPolarHBondContact O-CD2 3.39Å; A477-F481 WeakPolarHBondContact O-CG 3.42Å; A477-F481 PolarHBondContact O-N 2.8Å; V478-F481 PolarHBondContact O-N 2.58Å; F481-H484 PolarHBondContact O-N 3.44Å; F481-S485 WeakPolarHBondContact O-CB 3.37Å; F481-S485 PolarHBondContact O-N 2.93Å; F481-W550 AromaticContact CD1-CH2 3.65Å; F481-W550 HydrophobicContact CD1-CH2 3.65Å; F481-W550 AromaticContact CD1-CZ2 3.62Å; F481-W550 HydrophobicContact CD1-CZ2 3.62Å; F481-W550 AromaticContact CE1-CH2 3.26Å; F481-W550 HydrophobicContact CE1-CH2 3.26Å; F481-W550 AromaticContact CE1-CZ2 3.47Å; F481-W550 HydrophobicContact CE1-CZ2 3.47Å; F481-W550 VanDerWaalsContact CE1-CZ2 3.47Å; F481-W550 HydrophobicContact CE1-CZ3 4.31Å; F481-W550 HydrophobicContact CZ-CH2 4Å; F481-E617 HydrophobicContact CD1-CB 3.82Å; F481-E617 HydrophobicContact CD1-CG 3.87Å; F481-E617 HydrophobicContact CD2-CG 3.87Å; F481-E617 HydrophobicContact CE1-CB 3.89Å; F481-E617 HydrophobicContact CE1-CG 3.97Å; F481-E617 HydrophobicContact CE2-CG 3.98Å; F481-E617 HydrophobicContact CG-CB 4.27Å; F481-E617 HydrophobicContact CG-CG 3.84Å; F481-E617 HydrophobicContact CZ-CB 4.37Å; F481-E617 HydrophobicContact CZ-CG 4.02Å; F481-I620 HydrophobicContact CE1-CB 4.39Å; F481-I620 HydrophobicContact CE1-CD1 4.36Å; F481-I620 HydrophobicContact CZ-CB 4.01Å; F481-I620 HydrophobicContact CZ-CG2 3.86Å; F481-K621 HydrophobicContact CE2-CD 4.2Å; F481-K621 HydrophobicContact CE2-CG 3.8Å; F481-K621 HydrophobicContact CZ-CG 4.15Å; F481-W631 HydrophobicContact CE2-CZ3 4.16Å
482	F	97.8	Very high	97.7	Very high	23 Å²	23	13.1 Å²	13.1	10%	0.101	7%	0.067	C	C	.	.	H	α-helix	trans	-58.2	-52.3	174.3	175.6	-94.5	0	0	0	111.8	L422 L424 R425 P426 L429 V478 L480 H484 S485 K486	L422-F482 HydrophobicContact CB-CE1 4.32Å; L422-F482 HydrophobicContact CB-CZ 4.22Å; L422-F482 HydrophobicContact CD1-CE1 3.9Å; L422-F482 HydrophobicContact CD1-CZ 4.43Å; L424-F482 WeakPolarHBondContact O-CE2 3.4Å; R425-F482 HydrophobicContact CG-CE1 4.22Å; R425-F482 HydrophobicContact CG-CZ 4.14Å; P426-F482 VanDerWaalsContact CD-CG 3.48Å; P426-F482 HydrophobicContact CG-CB 3.93Å; P426-F482 HydrophobicContact CG-CG 4.15Å; L429-F482 HydrophobicContact CD1-CD1 3.58Å; L429-F482 HydrophobicContact CD1-CE1 4.04Å; L429-F482 HydrophobicContact CD1-CG 4.44Å; V478-F482 PolarHBondContact O-N 2.56Å; L480-F482 VanDerWaalsContact C-N 3.3Å; L480-F482 PolarHBondContact O-N 2.75Å; F482-H484 PolarHBondContact O-N 3.44Å; F482-S485 WeakPolarHBondContact O-CB 3.41Å; F482-S485 PolarHBondContact O-N 2.99Å; F482-S485 PolarHBondContact O-OG 2.81Å; F482-K486 HydrophobicContact CE1-CG 4.41Å; F482-K486 VanDerWaalsContact CE2-CE 3.46Å; F482-K486 HydrophobicContact CZ-CG 4.38Å; F482-K486 WeakPolarHBondContact O-CG 3.45Å; F482-K486 PolarHBondContact O-N 3.29Å
483	L	97.9	Very high	97.6	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-60.4	-46.4	179.9	-67.4	171.7	0	0	0	111.7	V419 L429 G479 L480 S485 K486 G487 I488 Y490 F511	V419-L483 HydrophobicContact CG1-CD2 3.92Å; L429-L483 HydrophobicContact CD1-CD2 4.26Å; L429-L483 HydrophobicContact CD1-CG 4.31Å; G479-L483 WeakPolarHBondContact O-CG 3.46Å; G479-L483 PolarHBondContact O-N 3.44Å; L480-L483 PolarHBondContact O-N 3.43Å; L483-S485 VanDerWaalsContact C-N 3.29Å; L483-S485 PolarHBondContact O-N 2.88Å; L483-K486 PolarHBondContact O-N 3.18Å; L483-G487 PolarHBondContact O-N 2.81Å; L483-I488 CarbonylContact C-O 3.59Å; L483-I488 VanDerWaalsContact C-O 3.25Å; L483-I488 HydrophobicContact CB-CB 4.37Å; L483-I488 HydrophobicContact CD2-CG2 4.31Å; L483-I488 WeakPolarHBondContact O-CB 3.2Å; L483-I488 PolarHBondContact O-N 2.85Å; L483-Y490 HydrophobicContact CD1-CD2 4.17Å; L483-Y490 HydrophobicContact CD1-CG 4.4Å; L483-F511 HydrophobicContact CD1-CE1 4.23Å
484	H	97.2	Very high	97.3	Very high	28 Å²	28	14.5 Å²	14.5	13%	0.13	7%	0.073	C	C	.	.	H	α-helix	trans	-62.7	-35.8	178.9	-67.3	-172.7	0	0	0	111.4	L480 F481 F482 K486 G487 I488 K546 D549 W550	L480-H484 WeakPolarHBondContact O-CB 3.47Å; L480-H484 PolarHBondContact O-CD2 3.19Å; L480-H484 VanDerWaalsContact O-CG 3.25Å; L480-H484 PolarHBondContact O-N 2.85Å; F481-H484 PolarHBondContact O-N 3.44Å; F482-H484 PolarHBondContact O-N 3.44Å; H484-K486 PolarHBondContact O-N 2.78Å; H484-G487 PolarHBondContact O-N 3.48Å; H484-I488 PolarHBondContact CD2-O 3.46Å; H484-I488 PolarHBondContact N-O 3.44Å; H484-K546 HydrophobicContact CB-CD 4.43Å; H484-D549 IonicContact CD2-OD2 3.88Å; H484-D549 IonicContact CE1-OD2 2.89Å; H484-D549 IonicContact NE2-OD2 2.7Å; H484-D549 PolarHBondContact NE2-OD2 2.75Å; H484-W550 AromaticContact CE1-CD1 3.99Å; H484-W550 AromaticContact CE1-CE2 3.61Å; H484-W550 AromaticContact CE1-CZ2 3.84Å; H484-W550 AromaticContact CE1-NE1 3.28Å; H484-W550 PolarHBondContact CE1-NE1 3.22Å; H484-W550 VanDerWaalsContact CE1-NE1 3.28Å; H484-W550 AromaticContact ND1-CE2 3.76Å; H484-W550 AromaticContact ND1-CZ2 3.76Å; H484-W550 AromaticContact ND1-NE1 3.34Å; H484-W550 PolarHBondContact ND1-NE1 3.22Å
485	S	96	Very high	96.9	Very high	71 Å²	71	14.6 Å²	14.6	50%	0.497	7%	0.074	S	C	.	.	H	α-helix	trans	-63.8	-23.4	174.4	83.3	0	0	0	0	113.8	F481 F482 L483	F481-S485 WeakPolarHBondContact O-CB 3.37Å; F481-S485 PolarHBondContact O-N 2.93Å; F482-S485 WeakPolarHBondContact O-CB 3.41Å; F482-S485 PolarHBondContact O-N 2.99Å; F482-S485 PolarHBondContact O-OG 2.81Å; L483-S485 VanDerWaalsContact C-N 3.29Å; L483-S485 PolarHBondContact O-N 2.88Å
486	K	97.1	Very high	96.4	Very high	91 Å²	91	17.9 Å²	17.9	40%	0.396	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	5.3	175.7	-53.1	-47.8	176.3	-166.8	0	113	L422 F482 L483 H484 I488 F519	L422-K486 HydrophobicContact CD1-CG 4.41Å; F482-K486 HydrophobicContact CE1-CG 4.41Å; F482-K486 VanDerWaalsContact CE2-CE 3.46Å; F482-K486 HydrophobicContact CZ-CG 4.38Å; F482-K486 WeakPolarHBondContact O-CG 3.45Å; F482-K486 PolarHBondContact O-N 3.29Å; L483-K486 PolarHBondContact O-N 3.18Å; H484-K486 PolarHBondContact O-N 2.78Å; K486-I488 HydrophobicContact CB-CD1 3.75Å; K486-I488 HydrophobicContact CB-CG1 4.09Å; K486-F519 WeakPolarHBondContact O-CZ 3.32Å
487	G	96.6	Very high	96.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	38.8	-174.4	0	0	0	0	0	112.2	L483 H484 E516 G517 M518	L483-G487 PolarHBondContact O-N 2.81Å; H484-G487 PolarHBondContact O-N 3.48Å; G487-E516 CarbonylContact O-C 3.51Å; G487-G517 PolarHBondContact O-N 3.49Å; G487-M518 PolarHBondContact O-N 2.88Å
488	I	97.9	Very high	96.1	Very high	6 Å²	6	18.7 Å²	18.7	3%	0.031	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	132.6	-180	-56.6	167.5	0	0	0	108.5	V419 L422 L483 H484 K486 C514 R515 E516	V419-I488 HydrophobicContact CG2-CD1 4.27Å; V419-I488 HydrophobicContact CG2-CG2 4.12Å; L422-I488 HydrophobicContact CD1-CD1 3.6Å; L483-I488 CarbonylContact C-O 3.59Å; L483-I488 VanDerWaalsContact C-O 3.25Å; L483-I488 HydrophobicContact CB-CB 4.37Å; L483-I488 HydrophobicContact CD2-CG2 4.31Å; L483-I488 WeakPolarHBondContact O-CB 3.2Å; L483-I488 PolarHBondContact O-N 2.85Å; H484-I488 PolarHBondContact CD2-O 3.46Å; H484-I488 PolarHBondContact N-O 3.44Å; K486-I488 HydrophobicContact CB-CD1 3.75Å; K486-I488 HydrophobicContact CB-CG1 4.09Å; I488-C514 HydrophobicContact CG2-CB 4.14Å; I488-R515 WeakPolarHBondContact CA-O 3.16Å; I488-E516 HydrophobicContact CD1-CG 4.47Å; I488-E516 HydrophobicContact CG1-CG 4.15Å
489	I	97.4	Very high	96	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	147.9	169.5	64.6	178.1	0	0	0	109.8	R491 C514 R515 M518 T524 Y544 K546 D549	I489-R491 HydrophobicContact CB-CG 4.41Å; I489-R491 HydrophobicContact CD1-CG 3.93Å; I489-R491 HydrophobicContact CG1-CG 3.83Å; I489-C514 CarbonylContact O-C 3.46Å; I489-C514 VanDerWaalsContact O-CA 3.26Å; I489-C514 WeakPolarHBondContact O-CA 3.41Å; I489-R515 HydrophobicContact CD1-CB 4.31Å; I489-R515 HydrophobicContact CG1-CB 3.84Å; I489-R515 PolarHBondContact N-O 3.01Å; I489-R515 PolarHBondContact O-N 2.86Å; I489-M518 HydrophobicContact CD1-CE 4.11Å; I489-M518 HydrophobicContact CD1-CG 4.09Å; I489-M518 HydrophobicContact CD1-SD 4.43Å; I489-M518 HydrophobicContact CG1-CG 4.02Å; I489-M518 HydrophobicContact CG2-CB 4.01Å; I489-M518 HydrophobicContact CG2-CG 4.33Å; I489-T524 HydrophobicContact CD1-CG2 3.96Å; I489-Y544 HydrophobicContact CD1-CD2 4.29Å; I489-Y544 HydrophobicContact CD1-CE2 3.92Å; I489-K546 HydrophobicContact CG2-CB 3.8Å; I489-D549 WeakPolarHBondContact CA-OD2 3.23Å
490	Y	97.8	Very high	95.8	Very high	1 Å²	1	19.9 Å²	19.9	0%	0.004	10%	0.102	C	C	.	.			trans	-97.6	-40.8	-165.8	179.2	-107.4	0	0	0	113.6	L483 D492 L493 N497 I508 A509 D510 F511 M513 D549	L483-Y490 HydrophobicContact CD1-CD2 4.17Å; L483-Y490 HydrophobicContact CD1-CG 4.4Å; Y490-D492 VanDerWaalsContact CE1-C 3.44Å; Y490-D492 WeakPolarHBondContact CE1-O 3.41Å; Y490-D492 PolarHBondContact O-N 2.58Å; Y490-L493 HydrophobicContact CD1-CB 3.92Å; Y490-L493 HydrophobicContact CE1-CB 4.01Å; Y490-L493 HydrophobicContact CE1-CD1 4.21Å; Y490-N497 WeakPolarHBondContact OH-CB 3.48Å; Y490-N497 PolarHBondContact OH-ND2 3.32Å; Y490-I508 HydrophobicContact CE1-CG2 4.12Å; Y490-I508 HydrophobicContact CE2-CG2 3.91Å; Y490-A509 PolarHBondContact OH-O 3.39Å; Y490-D510 WeakPolarHBondContact CE2-O 3.32Å; Y490-D510 PolarHBondContact OH-O 3.35Å; Y490-F511 AromaticContact CD2-CD1 3.83Å; Y490-F511 HydrophobicContact CD2-CD1 3.83Å; Y490-F511 HydrophobicContact CD2-CE1 4.1Å; Y490-F511 AromaticContact CE2-CD1 3.69Å; Y490-F511 HydrophobicContact CE2-CD1 3.69Å; Y490-F511 AromaticContact CE2-CE1 3.89Å; Y490-F511 HydrophobicContact CE2-CE1 3.89Å; Y490-F511 HydrophobicContact CE2-CG 4.4Å; Y490-M513 CarbonylContact O-C 3.59Å; Y490-D549 PolarHBondContact N-OD1 3.48Å; Y490-D549 PolarHBondContact N-OD2 3.04Å
491	R	95.4	Very high	95.4	Very high	20 Å²	20	20.7 Å²	20.7	8%	0.075	11%	0.106	C	C	.	.			trans	64.1	-4.2	168.3	-50.5	-172.4	-65.2	172.9	1	118.9	I489 M513 C514 T526 C528 G529 Y544 V548 D549	I489-R491 HydrophobicContact CB-CG 4.41Å; I489-R491 HydrophobicContact CD1-CG 3.93Å; I489-R491 HydrophobicContact CG1-CG 3.83Å; R491-M513 PolarHBondContact NE-O 2.93Å; R491-M513 PolarHBondContact NH2-O 2.92Å; R491-C514 PolarHBondContact NH2-O 2.95Å; R491-C514 VanDerWaalsContact NH2-O 3.15Å; R491-T526 PolarHBondContact NH1-OG1 3.32Å; R491-C528 VanDerWaalsContact CZ-SG 3.52Å; R491-C528 PolarHBondContact NH1-SG 2.85Å; R491-G529 WeakPolarHBondContact O-CA 3.49Å; R491-Y544 WeakPolarHBondContact CD-OH 3.42Å; R491-Y544 HydrophobicContact CG-CE2 4.48Å; R491-Y544 PolarHBondContact NH1-OH 3.26Å; R491-Y544 VanDerWaalsContact NH1-OH 3.1Å; R491-V548 HydrophobicContact CG-CG2 4.34Å; R491-D549 PolarHBondContact N-OD1 2.87Å
492	D	94.2	Very high	94.9	Very high	12 Å²	12	22 Å²	22	6%	0.064	12%	0.117	C	C	.	.			trans	-134.3	46.9	174.7	-164.8	43.5	0	0	0	112.5	Y490 K494 N497 M513 T530	Y490-D492 VanDerWaalsContact CE1-C 3.44Å; Y490-D492 WeakPolarHBondContact CE1-O 3.41Å; Y490-D492 PolarHBondContact O-N 2.58Å; D492-K494 PolarHBondContact O-N 3.38Å; D492-K494 IonicContact OD1-NZ 3.89Å; D492-K494 PolarHBondContact OD1-NZ 3.17Å; D492-K494 IonicContact OD2-NZ 3.19Å; D492-K494 PolarHBondContact OD2-NZ 2.97Å; D492-N497 PolarHBondContact O-ND2 2.77Å; D492-N497 PolarHBondContact OD2-ND2 3.38Å; D492-M513 HydrophobicContact CB-CB 3.78Å; D492-M513 HydrophobicContact CB-CG 3.83Å; D492-T530 WeakPolarHBondContact OD1-CB 3.4Å; D492-T530 PolarHBondContact OD1-N 3.47Å; D492-T530 VanDerWaalsContact OD1-N 3.12Å; D492-T530 PolarHBondContact OD1-OG1 3.09Å
493	L	97.6	Very high	94.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.			trans	-77.8	111.7	176.1	-173.3	63	0	0	0	111.1	I476 L480 Y490 V498 Y533 Y553 L556	I476-L493 HydrophobicContact CG2-CD1 4.1Å; I476-L493 HydrophobicContact CG2-CD2 4.07Å; L480-L493 HydrophobicContact CD1-CD2 3.92Å; L480-L493 HydrophobicContact CD2-CD2 4.47Å; Y490-L493 HydrophobicContact CD1-CB 3.92Å; Y490-L493 HydrophobicContact CE1-CB 4.01Å; Y490-L493 HydrophobicContact CE1-CD1 4.21Å; L493-V498 HydrophobicContact CD1-CG2 3.76Å; L493-Y533 WeakPolarHBondContact O-CD1 3.43Å; L493-Y553 HydrophobicContact CD2-CD2 4.18Å; L493-L556 HydrophobicContact CD1-CD1 3.91Å; L493-L556 HydrophobicContact CD2-CD1 4.49Å; L493-L556 HydrophobicContact CG-CD1 3.82Å
494	K	92.6	Very high	94.4	Very high	30 Å²	30	25 Å²	25	13%	0.13	13%	0.131	C	C	.	.			trans	-148.4	165.1	179.2	63.9	-171.6	-179.4	-132.4	0	110.8	D492 D496 N497 V498 T530 Y533	D492-K494 PolarHBondContact O-N 3.38Å; D492-K494 IonicContact OD1-NZ 3.89Å; D492-K494 PolarHBondContact OD1-NZ 3.17Å; D492-K494 IonicContact OD2-NZ 3.19Å; D492-K494 PolarHBondContact OD2-NZ 2.97Å; K494-D496 VanDerWaalsContact C-N 3.26Å; K494-D496 HydrophobicContact CD-CB 4.34Å; K494-D496 WeakPolarHBondContact CD-OD2 3.39Å; K494-D496 HydrophobicContact CG-CB 4.21Å; K494-D496 WeakPolarHBondContact CG-OD2 3.32Å; K494-D496 PolarHBondContact O-N 3.08Å; K494-N497 VanDerWaalsContact CE-OD1 3.26Å; K494-N497 WeakPolarHBondContact CE-OD1 3.09Å; K494-N497 HydrophobicContact CG-CB 4.07Å; K494-N497 PolarHBondContact O-N 2.93Å; K494-V498 WeakPolarHBondContact O-CG2 3.32Å; K494-T530 HydrophobicContact CD-CG2 4.04Å; K494-T530 WeakPolarHBondContact CD-OG1 3.06Å; K494-T530 PolarHBondContact NZ-OG1 3.22Å; K494-Y533 HydrophobicContact CB-CD1 4.34Å; K494-Y533 HydrophobicContact CB-CD2 3.63Å; K494-Y533 HydrophobicContact CB-CE1 4.08Å; K494-Y533 HydrophobicContact CB-CE2 3.28Å; K494-Y533 HydrophobicContact CB-CG 4.14Å
495	L	89.8	Confident	94.4	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.016	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-59.7	-32.8	-178.5	-68.6	167	0	0	0	113.6	L144 L454 M455 I458 V498 Y533 L556 E559 M560	L144-L495 HydrophobicContact CD1-CD1 4.35Å; L454-L495 HydrophobicContact CB-CB 4.47Å; L454-L495 HydrophobicContact CB-CD2 3.86Å; L454-L495 HydrophobicContact CD1-CD2 4.32Å; L454-L495 PolarHBondContact N-O 3.38Å; M455-L495 HydrophobicContact CB-CB 4.04Å; M455-L495 HydrophobicContact CE-CB 3.79Å; M455-L495 HydrophobicContact CE-CD1 4.33Å; M455-L495 HydrophobicContact SD-CB 4.17Å; M455-L495 HydrophobicContact SD-CD1 4.05Å; I458-L495 HydrophobicContact CD1-CD1 3.77Å; I458-L495 HydrophobicContact CD1-CD2 3.59Å; I458-L495 HydrophobicContact CD1-CG 4.33Å; L495-V498 PolarHBondContact O-N 3.36Å; L495-Y533 PolarHBondContact N-OH 2.82Å; L495-L556 HydrophobicContact CD2-CD1 4.5Å; L495-L556 HydrophobicContact CD2-CD2 4Å; L495-L556 HydrophobicContact CD2-CG 3.84Å; L495-L556 HydrophobicContact CG-CG 4.25Å; L495-E559 HydrophobicContact CD1-CB 4.1Å; L495-E559 WeakPolarHBondContact CD1-OE2 3.33Å; L495-M560 HydrophobicContact CD2-CG 4.29Å
496	D	88.6	Confident	94.5	Very high	69 Å²	69	21 Å²	21	37%	0.369	11%	0.105	S	C	.	.	G	3₁₀ helix	trans	-69.3	-30.8	-179.9	-37.9	-104.4	0	0	0	113.3	M455 K494 V498	M455-D496 VanDerWaalsContact CE-CG 3.43Å; M455-D496 VanDerWaalsContact CE-OD1 3.23Å; M455-D496 WeakPolarHBondContact CE-OD1 3.33Å; M455-D496 WeakPolarHBondContact CE-OD2 3.49Å; K494-D496 VanDerWaalsContact C-N 3.26Å; K494-D496 HydrophobicContact CD-CB 4.34Å; K494-D496 WeakPolarHBondContact CD-OD2 3.39Å; K494-D496 HydrophobicContact CG-CB 4.21Å; K494-D496 WeakPolarHBondContact CG-OD2 3.32Å; K494-D496 PolarHBondContact O-N 3.08Å; D496-V498 VanDerWaalsContact C-N 3.3Å
497	N	94.5	Very high	94.5	Very high	17 Å²	17	16.8 Å²	16.8	9%	0.091	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-87.4	0.5	-178.9	-73.3	-0.9	0	0	0	112.6	Y490 D492 K494 A509	Y490-N497 WeakPolarHBondContact OH-CB 3.48Å; Y490-N497 PolarHBondContact OH-ND2 3.32Å; D492-N497 PolarHBondContact O-ND2 2.77Å; D492-N497 PolarHBondContact OD2-ND2 3.38Å; K494-N497 VanDerWaalsContact CE-OD1 3.26Å; K494-N497 WeakPolarHBondContact CE-OD1 3.09Å; K494-N497 HydrophobicContact CG-CB 4.07Å; K494-N497 PolarHBondContact O-N 2.93Å; N497-A509 PolarHBondContact O-N 3.33Å
498	V	97.2	Very high	94.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	104.4	-176.9	-177.6	0	0	0	0	108.8	D453 L454 I476 L493 K494 L495 D496 I506 L556	D453-V498 WeakPolarHBondContact CA-O 3.46Å; L454-V498 HydrophobicContact CD1-CB 4.08Å; L454-V498 HydrophobicContact CD1-CG1 3.55Å; L454-V498 HydrophobicContact CG-CB 4.29Å; L454-V498 HydrophobicContact CG-CG1 3.94Å; L454-V498 PolarHBondContact N-O 3.1Å; I476-V498 HydrophobicContact CD1-CG1 3.93Å; I476-V498 HydrophobicContact CG1-CG1 3.97Å; L493-V498 HydrophobicContact CD1-CG2 3.76Å; K494-V498 WeakPolarHBondContact O-CG2 3.32Å; L495-V498 PolarHBondContact O-N 3.36Å; D496-V498 VanDerWaalsContact C-N 3.3Å; V498-I506 HydrophobicContact CG1-CD1 3.48Å; V498-I506 VanDerWaalsContact CG1-CD1 3.48Å; V498-I506 HydrophobicContact CG1-CG2 3.82Å; V498-L556 HydrophobicContact CG2-CD1 4.06Å
499	L	95.6	Very high	94.4	Very high	31 Å²	31	17.3 Å²	17.3	16%	0.162	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	160.8	-174.6	-48	-177.4	0	0	0	111.7	V449 D453 I506 K507 A509	V449-L499 HydrophobicContact CB-CB 4.37Å; V449-L499 HydrophobicContact CB-CD1 3.94Å; V449-L499 HydrophobicContact CG1-CB 3.64Å; V449-L499 HydrophobicContact CG1-CD1 4.15Å; V449-L499 HydrophobicContact CG2-CD1 4.41Å; D453-L499 HydrophobicContact CB-CD2 3.68Å; L499-I506 CarbonylContact O-C 3.55Å; L499-I506 WeakPolarHBondContact O-CA 3.24Å; L499-K507 HydrophobicContact CB-CB 4.15Å; L499-K507 WeakPolarHBondContact CB-O 2.79Å; L499-K507 PolarHBondContact N-O 3.11Å; L499-K507 PolarHBondContact O-N 2.83Å; L499-A509 HydrophobicContact CD1-CB 4.01Å; L499-A509 HydrophobicContact CG-CB 4.24Å
500	L	94.3	Very high	94.1	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	135.2	165.2	-63.4	-173	0	0	0	110.8	V449 G451 G452 L454 Y472 H505 I506 F643 P645	V449-L500 WeakPolarHBondContact CG1-O 3.46Å; G451-L500 WeakPolarHBondContact CA-O 3.4Å; G451-L500 PolarHBondContact N-O 2.91Å; G451-L500 VanDerWaalsContact N-O 3.09Å; G452-L500 PolarHBondContact O-N 3.21Å; L454-L500 HydrophobicContact CD2-CD1 4.31Å; L454-L500 HydrophobicContact CD2-CD2 3.86Å; L454-L500 HydrophobicContact CD2-CG 4.03Å; Y472-L500 HydrophobicContact CD1-CD2 4.17Å; Y472-L500 HydrophobicContact CE1-CD2 3.66Å; L500-H505 WeakPolarHBondContact CA-O 3.41Å; L500-I506 HydrophobicContact CD2-CD1 3.82Å; L500-I506 HydrophobicContact CD2-CG1 4.44Å; L500-F643 HydrophobicContact CD1-CD1 3.97Å; L500-F643 HydrophobicContact CD1-CE1 4.14Å; L500-P645 HydrophobicContact CB-CG 4.49Å
501	D	89.9	Confident	93.9	Very high	17 Å²	17	20 Å²	20	9%	0.091	11%	0.106	C	C	.	.			trans	-76	179.8	169	74.2	16.4	0	0	0	112.9	H427 V449 E503 G504 H505 K507 P645	H427-D501 IonicContact CD2-OD2 3.47Å; H427-D501 IonicContact CE1-OD2 3.54Å; H427-D501 PolarHBondContact CE1-OD2 3.29Å; H427-D501 IonicContact NE2-OD2 3.18Å; H427-D501 PolarHBondContact NE2-OD2 3.3Å; V449-D501 HydrophobicContact CG1-CB 4.43Å; D501-E503 PolarHBondContact O-N 3.21Å; D501-E503 PolarHBondContact OD1-N 2.84Å; D501-G504 PolarHBondContact O-N 3.28Å; D501-G504 VanDerWaalsContact O-N 3.16Å; D501-G504 PolarHBondContact OD1-N 3.27Å; D501-H505 PolarHBondContact N-O 2.96Å; D501-H505 PolarHBondContact OD1-N 3.29Å; D501-K507 HydrophobicContact CB-CG 4.32Å; D501-P645 WeakPolarHBondContact O-CG 3.47Å
502	S	87.9	Confident	93.5	Very high	43 Å²	43	19.9 Å²	19.9	30%	0.301	11%	0.111	S	C	.	.	S	Bend	trans	-64.1	-21.6	-177.2	52.4	0	0	0	0	114.2	K644	S502-K644 WeakPolarHBondContact O-CE 3.42Å
503	E	90.1	Very high	93.2	Very high	85 Å²	85	22 Å²	22	40%	0.397	12%	0.121	S	C	.	.	S	Bend	trans	-91.6	-26.2	175.2	-64.9	-56.5	124.1	0	0	112.1	D501 K644	D501-E503 PolarHBondContact O-N 3.21Å; D501-E503 PolarHBondContact OD1-N 2.84Å; E503-K644 WeakPolarHBondContact O-CB 3Å; E503-K644 WeakPolarHBondContact O-CG 3.26Å; E503-K644 WeakPolarHBondContact OE1-CE 3.44Å; E503-K644 IonicContact OE1-NZ 3.94Å; E503-K644 PolarHBondContact OE1-NZ 2.88Å; E503-K644 WeakPolarHBondContact OE2-CE 3.5Å; E503-K644 IonicContact OE2-NZ 3.82Å; E503-K644 PolarHBondContact OE2-NZ 3.13Å
504	G	93.9	Very high	93	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	111.6	13.9	178.2	0	0	0	0	0	114.6	D501	D501-G504 PolarHBondContact O-N 3.28Å; D501-G504 VanDerWaalsContact O-N 3.16Å; D501-G504 PolarHBondContact OD1-N 3.27Å
505	H	97.3	Very high	93.1	Very high	14 Å²	14	26.4 Å²	26.4	7%	0.065	14%	0.137	C	C	.	.			trans	-82.5	154.1	172.2	-65.8	-81.3	0	0	0	111.4	F428 F471 E475 L500 D501 P641	F428-H505 HydrophobicContact CE1-CB 4.42Å; F471-H505 AromaticContact CZ-ND1 3.78Å; E475-H505 IonicContact OE1-CE1 2.9Å; E475-H505 IonicContact OE1-CG 2.72Å; E475-H505 IonicContact OE1-ND1 3.3Å; E475-H505 PolarHBondContact OE1-ND1 3.18Å; L500-H505 WeakPolarHBondContact CA-O 3.41Å; D501-H505 PolarHBondContact N-O 2.96Å; D501-H505 PolarHBondContact OD1-N 3.29Å; H505-P641 WeakPolarHBondContact NE2-CG 3.39Å
506	I	98.2	Very high	93.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	146	-179.8	-69	-74.3	0	0	0	112.4	F428 L454 Y472 E475 I476 V498 L499 L500 I508	F428-I506 VanDerWaalsContact CA-O 3.3Å; F428-I506 WeakPolarHBondContact CA-O 3.36Å; F428-I506 HydrophobicContact CB-CG2 4.41Å; F428-I506 HydrophobicContact CD1-CB 4.44Å; L454-I506 HydrophobicContact CD1-CD1 3.86Å; L454-I506 HydrophobicContact CD2-CD1 4.2Å; L454-I506 HydrophobicContact CG-CD1 4.21Å; Y472-I506 HydrophobicContact CD1-CD1 3.72Å; Y472-I506 HydrophobicContact CD1-CG1 3.77Å; Y472-I506 HydrophobicContact CG-CD1 4.05Å; Y472-I506 HydrophobicContact CG-CG1 4.39Å; E475-I506 HydrophobicContact CB-CB 3.8Å; E475-I506 HydrophobicContact CB-CG1 3.86Å; E475-I506 HydrophobicContact CB-CG2 4.47Å; E475-I506 WeakPolarHBondContact OE2-CB 3.46Å; E475-I506 VanDerWaalsContact OE2-CG1 3.24Å; E475-I506 WeakPolarHBondContact OE2-CG1 2.99Å; E475-I506 PolarHBondContact OE2-N 3.21Å; I476-I506 HydrophobicContact CD1-CD1 4.44Å; I476-I506 HydrophobicContact CG1-CD1 4.29Å; I476-I506 HydrophobicContact CG1-CG1 4.39Å; I476-I506 HydrophobicContact CG1-CG2 3.89Å; V498-I506 HydrophobicContact CG1-CD1 3.48Å; V498-I506 VanDerWaalsContact CG1-CD1 3.48Å; V498-I506 HydrophobicContact CG1-CG2 3.82Å; L499-I506 CarbonylContact O-C 3.55Å; L499-I506 WeakPolarHBondContact O-CA 3.24Å; L500-I506 HydrophobicContact CD2-CD1 3.82Å; L500-I506 HydrophobicContact CD2-CG1 4.44Å; I506-I508 HydrophobicContact CG2-CG1 4.2Å
507	K	97.8	Very high	93.5	Very high	4 Å²	4	27.6 Å²	27.6	2%	0.017	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	101.9	169.1	-74.4	-76.1	176.7	173.9	0	109.9	H427 T430 E447 V449 L499 D501 A509	H427-K507 WeakPolarHBondContact CE1-CE 3.44Å; H427-K507 PolarHBondContact CE1-NZ 3.38Å; H427-K507 PolarHBondContact ND1-NZ 2.87Å; H427-K507 WeakPolarHBondContact O-CD 3.26Å; H427-K507 WeakPolarHBondContact O-CE 3.43Å; H427-K507 PolarHBondContact O-NZ 2.87Å; T430-K507 HydrophobicContact CG2-CB 4.06Å; E447-K507 VanDerWaalsContact CD-NZ 3.29Å; E447-K507 IonicContact OE1-NZ 3.69Å; E447-K507 PolarHBondContact OE1-NZ 2.8Å; E447-K507 WeakPolarHBondContact OE2-CE 3.4Å; E447-K507 IonicContact OE2-NZ 3.42Å; E447-K507 PolarHBondContact OE2-NZ 3.21Å; V449-K507 HydrophobicContact CG1-CB 4.03Å; V449-K507 HydrophobicContact CG1-CG 4.03Å; V449-K507 HydrophobicContact CG2-CB 4.09Å; V449-K507 HydrophobicContact CG2-CD 4.39Å; V449-K507 HydrophobicContact CG2-CG 3.95Å; L499-K507 HydrophobicContact CB-CB 4.15Å; L499-K507 WeakPolarHBondContact CB-O 2.79Å; L499-K507 PolarHBondContact N-O 3.11Å; L499-K507 PolarHBondContact O-N 2.83Å; D501-K507 HydrophobicContact CB-CG 4.32Å; K507-A509 PolarHBondContact O-N 3.34Å
508	I	98.1	Very high	93.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	125.6	172.5	-54.5	178.1	0	0	0	109.1	F428 L429 T430 I476 Y490 I506 F511	F428-I508 PolarHBondContact O-N 3.41Å; L429-I508 HydrophobicContact CD2-CB 3.89Å; L429-I508 HydrophobicContact CD2-CD1 3.97Å; L429-I508 HydrophobicContact CD2-CG1 4.28Å; T430-I508 PolarHBondContact N-O 3.04Å; T430-I508 PolarHBondContact OG1-O 2.88Å; I476-I508 HydrophobicContact CG2-CD1 4.15Å; Y490-I508 HydrophobicContact CE1-CG2 4.12Å; Y490-I508 HydrophobicContact CE2-CG2 3.91Å; I506-I508 HydrophobicContact CG2-CG1 4.2Å; I508-F511 HydrophobicContact CG2-CZ 4.49Å; I508-F511 WeakPolarHBondContact O-CZ 3.47Å
509	A	94.3	Very high	93.4	Very high	17 Å²	17	33.2 Å²	33.2	14%	0.14	18%	0.177	C	C	.	.			trans	-110.3	-170.7	-178.3	0	0	0	0	0	112.3	T430 Y490 N497 L499 K507	T430-A509 HydrophobicContact CG2-CB 3.97Å; Y490-A509 PolarHBondContact OH-O 3.39Å; N497-A509 PolarHBondContact O-N 3.33Å; L499-A509 HydrophobicContact CD1-CB 4.01Å; L499-A509 HydrophobicContact CG-CB 4.24Å; K507-A509 PolarHBondContact O-N 3.34Å
510	D	90.5	Very high	92.9	Very high	58 Å²	58	35.6 Å²	35.6	31%	0.31	21%	0.209	S	C	.	.			trans	35	96.7	179.6	-152.6	-35.8	0	0	0	116.2	K397 Y490 G512	K397-D510 WeakPolarHBondContact CE-OD2 2.96Å; K397-D510 IonicContact NZ-OD1 2.6Å; K397-D510 PolarHBondContact NZ-OD1 2.86Å; K397-D510 IonicContact NZ-OD2 3.31Å; K397-D510 PolarHBondContact NZ-OD2 2.9Å; Y490-D510 WeakPolarHBondContact CE2-O 3.32Å; Y490-D510 PolarHBondContact OH-O 3.35Å; D510-G512 PolarHBondContact OD1-N 3.4Å
511	F	93.2	Very high	92.6	Very high	1 Å²	1	39 Å²	39	0%	0.004	24%	0.244	C	C	.	.			trans	-99.5	14.6	179.4	-59.2	-87.3	0	0	0	112.3	E416 V419 L420 L429 L483 Y490 I508 M513 C514	E416-F511 HydrophobicContact CG-CB 4.2Å; E416-F511 PolarHBondContact OE1-N 2.93Å; E416-F511 VanDerWaalsContact OE1-N 3.16Å; V419-F511 HydrophobicContact CB-CB 4.2Å; V419-F511 HydrophobicContact CG1-CB 3.94Å; V419-F511 HydrophobicContact CG1-CD1 3.57Å; V419-F511 HydrophobicContact CG1-CE1 4.31Å; V419-F511 HydrophobicContact CG1-CG 3.84Å; L420-F511 HydrophobicContact CD2-CD2 3.47Å; L420-F511 VanDerWaalsContact CD2-CD2 3.47Å; L420-F511 HydrophobicContact CD2-CE2 3.67Å; L420-F511 HydrophobicContact CG-CD2 3.75Å; L420-F511 HydrophobicContact CG-CE2 4.42Å; L420-F511 HydrophobicContact CG-CG 4.49Å; L429-F511 HydrophobicContact CB-CZ 4.13Å; L429-F511 HydrophobicContact CD2-CE1 4.27Å; L429-F511 HydrophobicContact CD2-CZ 4.16Å; L483-F511 HydrophobicContact CD1-CE1 4.23Å; Y490-F511 AromaticContact CD2-CD1 3.83Å; Y490-F511 HydrophobicContact CD2-CD1 3.83Å; Y490-F511 HydrophobicContact CD2-CE1 4.1Å; Y490-F511 AromaticContact CE2-CD1 3.69Å; Y490-F511 HydrophobicContact CE2-CD1 3.69Å; Y490-F511 AromaticContact CE2-CE1 3.89Å; Y490-F511 HydrophobicContact CE2-CE1 3.89Å; Y490-F511 HydrophobicContact CE2-CG 4.4Å; I508-F511 HydrophobicContact CG2-CZ 4.49Å; I508-F511 WeakPolarHBondContact O-CZ 3.47Å; F511-M513 PolarHBondContact O-N 2.92Å; F511-C514 WeakPolarHBondContact O-CB 3.44Å; F511-C514 PolarHBondContact O-N 2.81Å; F511-C514 VanDerWaalsContact O-N 3.16Å
512	G	88.5	Confident	92.8	Very high	16 Å²	16	41.5 Å²	41.5	17%	0.165	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.1	179.6	0	0	0	0	0	114.2	E416 D510	E416-G512 PolarHBondContact OE1-N 2.84Å; D510-G512 PolarHBondContact OD1-N 3.4Å
513	M	87.4	Confident	93.2	Very high	57 Å²	57	43.2 Å²	43.2	28%	0.281	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	0.8	-178.2	-67	-67.9	-116.1	0	0	114.1	Y490 R491 D492 F511 C528	Y490-M513 CarbonylContact O-C 3.59Å; R491-M513 PolarHBondContact NE-O 2.93Å; R491-M513 PolarHBondContact NH2-O 2.92Å; D492-M513 HydrophobicContact CB-CB 3.78Å; D492-M513 HydrophobicContact CB-CG 3.83Å; F511-M513 PolarHBondContact O-N 2.92Å; M513-C528 HydrophobicContact CE-CB 3.87Å; M513-C528 HydrophobicContact SD-CB 4.42Å
514	C	93.6	Very high	93.2	Very high	4 Å²	4	39.9 Å²	39.9	3%	0.027	25%	0.252	C	S	.	.			trans	-61	162	-178	-83.1	0	0	0	0	114	V415 V419 I488 I489 R491 F511	V415-C514 HydrophobicContact CG1-CB 3.83Å; V419-C514 HydrophobicContact CG2-CB 3.81Å; I488-C514 HydrophobicContact CG2-CB 4.14Å; I489-C514 CarbonylContact O-C 3.46Å; I489-C514 VanDerWaalsContact O-CA 3.26Å; I489-C514 WeakPolarHBondContact O-CA 3.41Å; R491-C514 PolarHBondContact NH2-O 2.95Å; R491-C514 VanDerWaalsContact NH2-O 3.15Å; F511-C514 WeakPolarHBondContact O-CB 3.44Å; F511-C514 PolarHBondContact O-N 2.81Å; F511-C514 VanDerWaalsContact O-N 3.16Å
515	R	93.8	Very high	92.9	Very high	118 Å²	118	48.7 Å²	48.7	45%	0.445	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	115.2	167.5	-177.5	64.1	178.3	-158.9	1.2	111	I488 I489 M518	I488-R515 WeakPolarHBondContact CA-O 3.16Å; I489-R515 HydrophobicContact CD1-CB 4.31Å; I489-R515 HydrophobicContact CG1-CB 3.84Å; I489-R515 PolarHBondContact N-O 3.01Å; I489-R515 PolarHBondContact O-N 2.86Å; R515-M518 HydrophobicContact CB-CG 4.33Å; R515-M518 HydrophobicContact CG-CG 3.89Å; R515-M518 HydrophobicContact CG-SD 3.92Å; R515-M518 WeakPolarHBondContact O-CG 3.46Å
516	E	94.4	Very high	92.1	Very high	52 Å²	52	51.2 Å²	51.2	24%	0.243	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	162.1	170.3	-63.7	165.8	119.4	0	0	111.7	V415 R418 V419 G487 I488	V415-E516 HydrophobicContact CG1-CG 4.25Å; R418-E516 VanDerWaalsContact CB-OE1 3.27Å; R418-E516 WeakPolarHBondContact CB-OE1 3.35Å; R418-E516 IonicContact CZ-OE2 2.74Å; R418-E516 IonicContact NE-OE1 3.23Å; R418-E516 PolarHBondContact NE-OE1 3.4Å; R418-E516 IonicContact NE-OE2 3.48Å; R418-E516 PolarHBondContact NE-OE2 2.93Å; R418-E516 IonicContact NH2-OE2 3.74Å; R418-E516 PolarHBondContact NH2-OE2 2.82Å; V419-E516 HydrophobicContact CG2-CG 4.43Å; G487-E516 CarbonylContact O-C 3.51Å; I488-E516 HydrophobicContact CD1-CG 4.47Å; I488-E516 HydrophobicContact CG1-CG 4.15Å
517	G	94.1	Very high	91.3	Very high	45 Å²	45	55 Å²	55	46%	0.464	32%	0.318	S	S	.	.			trans	78.8	34.5	175.6	0	0	0	0	0	113.7	G487	G487-G517 PolarHBondContact O-N 3.49Å
518	M	94.8	Very high	90.3	Very high	17 Å²	17	55.5 Å²	55.5	8%	0.084	32%	0.322	C	S	.	.			trans	-116.5	64.8	-174.1	-61.4	-61.3	-48.1	0	0	111	G487 I489 R515 D522 T524 N545	G487-M518 PolarHBondContact O-N 2.88Å; I489-M518 HydrophobicContact CD1-CE 4.11Å; I489-M518 HydrophobicContact CD1-CG 4.09Å; I489-M518 HydrophobicContact CD1-SD 4.43Å; I489-M518 HydrophobicContact CG1-CG 4.02Å; I489-M518 HydrophobicContact CG2-CB 4.01Å; I489-M518 HydrophobicContact CG2-CG 4.33Å; R515-M518 HydrophobicContact CB-CG 4.33Å; R515-M518 HydrophobicContact CG-CG 3.89Å; R515-M518 HydrophobicContact CG-SD 3.92Å; R515-M518 WeakPolarHBondContact O-CG 3.46Å; M518-D522 HydrophobicContact CE-CB 4.32Å; M518-T524 HydrophobicContact CE-CG2 4.15Å; M518-T524 HydrophobicContact SD-CG2 4.17Å; M518-N545 HydrophobicContact CE-CB 4.39Å
519	F	93.1	Very high	89.3	Confident	118 Å²	118	56.3 Å²	56.3	52%	0.518	33%	0.33	S	S	.	.			trans	-93.3	-164.6	179.2	-66.1	-81.9	0	0	0	111.7	K486 G521 D522	K486-F519 WeakPolarHBondContact O-CZ 3.32Å; F519-G521 PolarHBondContact O-N 2.93Å; F519-D522 WeakPolarHBondContact CA-OD2 3.44Å; F519-D522 WeakPolarHBondContact CB-OD2 3.41Å; F519-D522 PolarHBondContact N-OD2 3.1Å; F519-D522 PolarHBondContact O-N 3.49Å; F519-D522 VanDerWaalsContact O-N 3.11Å
520	G	87	Confident	88.6	Confident	81 Å²	81	57.1 Å²	57.1	84%	0.835	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	106.4	-175	0	0	0	0	0	113.1
521	G	86.4	Confident	88.2	Confident	72 Å²	72	55.9 Å²	55.9	74%	0.742	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.1	-12.4	-179.6	0	0	0	0	0	114.9	F519	F519-G521 PolarHBondContact O-N 2.93Å
522	D	94.3	Very high	87.7	Confident	69 Å²	69	57 Å²	57	37%	0.369	34%	0.335	S	S	.	.			trans	-71.6	145	179.3	-66.4	-49.1	0	0	0	112	M518 F519 N545	M518-D522 HydrophobicContact CE-CB 4.32Å; F519-D522 WeakPolarHBondContact CA-OD2 3.44Å; F519-D522 WeakPolarHBondContact CB-OD2 3.41Å; F519-D522 PolarHBondContact N-OD2 3.1Å; F519-D522 PolarHBondContact O-N 3.49Å; F519-D522 VanDerWaalsContact O-N 3.11Å; D522-N545 WeakPolarHBondContact O-CB 3.32Å
523	T	95.9	Very high	88	Confident	79 Å²	79	56.5 Å²	56.5	49%	0.485	33%	0.328	S	S	.	.			trans	-139.9	148.3	176.9	55.5	0	0	0	0	112	P543 Y544	T523-P543 HydrophobicContact CG2-CB 4.17Å; T523-Y544 CarbonylContact C-O 3.54Å; T523-Y544 VanDerWaalsContact CA-O 3.26Å; T523-Y544 WeakPolarHBondContact CA-O 3.49Å
524	T	90.1	Very high	88.1	Confident	15 Å²	15	54.1 Å²	54.1	9%	0.092	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-123	173.5	171.6	-172.7	0	0	0	0	110.7	I489 M518 P543 Y544	I489-T524 HydrophobicContact CD1-CG2 3.96Å; M518-T524 HydrophobicContact CE-CG2 4.15Å; M518-T524 HydrophobicContact SD-CG2 4.17Å; T524-P543 WeakPolarHBondContact O-CA 3.49Å; T524-Y544 HydrophobicContact CG2-CD2 3.96Å; T524-Y544 HydrophobicContact CG2-CE1 4.22Å; T524-Y544 HydrophobicContact CG2-CE2 3.41Å; T524-Y544 VanDerWaalsContact CG2-CE2 3.41Å; T524-Y544 PolarHBondContact N-O 2.75Å; T524-Y544 WeakPolarHBondContact O-CD1 3.34Å; T524-Y544 PolarHBondContact O-N 2.99Å
525	R	87.5	Confident	88.2	Confident	186 Å²	186	53.9 Å²	53.9	70%	0.702	32%	0.315	S	S	*	.			trans	-139.6	4.7	-172.8	-60.2	-175.6	-171.3	-169.3	0.4	114.8	F527 P543	R525-F527 PolarHBondContact O-N 3.18Å; R525-P543 HydrophobicContact CG-CB 4.32Å
526	T	80.5	Confident	88.4	Confident	67 Å²	67	48.6 Å²	48.6	41%	0.411	30%	0.296	S	S	.	.			trans	-60.2	126.5	178.2	-40.6	0	0	0	0	109.7	R491 C528 Y544	R491-T526 PolarHBondContact NH1-OG1 3.32Å; T526-C528 HydrophobicContact CG2-CB 4.25Å; T526-C528 PolarHBondContact O-N 3.46Å; T526-Y544 VanDerWaalsContact O-CE1 3.26Å; T526-Y544 WeakPolarHBondContact O-CE1 3.32Å; T526-Y544 PolarHBondContact O-OH 2.83Å
527	F	81.6	Confident	88.5	Confident	79 Å²	79	46.2 Å²	46.2	35%	0.346	29%	0.285	S	S	.	.			trans	-79	108.1	170.2	-169.2	-79.5	0	0	0	108.2	R525 I534 I538 Y541 F576	R525-F527 PolarHBondContact O-N 3.18Å; F527-I534 HydrophobicContact CE1-CD1 4.1Å; F527-I534 HydrophobicContact CZ-CD1 4.25Å; F527-I538 HydrophobicContact CD2-CG2 3.89Å; F527-I538 HydrophobicContact CE2-CG2 4.2Å; F527-I538 HydrophobicContact CG-CG2 4.3Å; F527-Y541 HydrophobicContact CB-CE1 4.3Å; F527-Y541 HydrophobicContact CD2-CD1 4.13Å; F527-Y541 AromaticContact CD2-CE1 3.59Å; F527-Y541 HydrophobicContact CD2-CE1 3.59Å; F527-Y541 AromaticContact CD2-CZ 3.8Å; F527-Y541 HydrophobicContact CE2-CE1 4.28Å; F527-Y541 HydrophobicContact CE2-CE2 4.48Å; F527-Y541 HydrophobicContact CG-CE1 4.19Å; F527-F576 HydrophobicContact CE1-CZ 4.38Å; F527-F576 AromaticContact CZ-CE2 3.92Å; F527-F576 HydrophobicContact CZ-CE2 3.92Å; F527-F576 AromaticContact CZ-CZ 3.89Å; F527-F576 HydrophobicContact CZ-CZ 3.89Å
528	C	78.4	Confident	88.3	Confident	15 Å²	15	44.5 Å²	44.5	10%	0.101	27%	0.265	C	S	.	.			trans	-158.4	165.3	-174.1	61.1	0	0	0	0	111.7	R491 M513 T526 Y544	R491-C528 VanDerWaalsContact CZ-SG 3.52Å; R491-C528 PolarHBondContact NH1-SG 2.85Å; M513-C528 HydrophobicContact CE-CB 3.87Å; M513-C528 HydrophobicContact SD-CB 4.42Å; T526-C528 HydrophobicContact CG2-CB 4.25Å; T526-C528 PolarHBondContact O-N 3.46Å; C528-Y544 PolarHBondContact SG-OH 2.94Å
529	G	75.8	Confident	87.9	Confident	17 Å²	17	44.7 Å²	44.7	18%	0.175	27%	0.267	C	S	.	.	S	Bend	trans	112.6	167.5	-177	0	0	0	0	0	112.1	R491	R491-G529 WeakPolarHBondContact O-CA 3.49Å
530	T	79.4	Confident	87.4	Confident	33 Å²	33	40.8 Å²	40.8	20%	0.202	26%	0.256	C	S	.	.			trans	-80	127.8	176.5	-62.9	0	0	0	0	110.5	D492 K494 D532 Y533 I534	D492-T530 WeakPolarHBondContact OD1-CB 3.4Å; D492-T530 PolarHBondContact OD1-N 3.47Å; D492-T530 VanDerWaalsContact OD1-N 3.12Å; D492-T530 PolarHBondContact OD1-OG1 3.09Å; K494-T530 HydrophobicContact CD-CG2 4.04Å; K494-T530 WeakPolarHBondContact CD-OG1 3.06Å; K494-T530 PolarHBondContact NZ-OG1 3.22Å; T530-D532 PolarHBondContact O-N 3.31Å; T530-D532 VanDerWaalsContact O-N 3.11Å; T530-Y533 HydrophobicContact CG2-CD2 3.99Å; T530-Y533 HydrophobicContact CG2-CE2 4.38Å; T530-Y533 PolarHBondContact O-N 2.85Å; T530-I534 PolarHBondContact O-N 3.49Å
531	P	82.2	Confident	87.3	Confident	33 Å²	33	45 Å²	45	21%	0.214	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-47.2	-46.6	-162.7	-34.1	36.8	0	0	0	117.1	Y533 I534 L575 F576	P531-Y533 PolarHBondContact O-N 3.16Å; P531-I534 PolarHBondContact O-N 3.26Å; P531-L575 HydrophobicContact CB-CD2 3.91Å; P531-F576 HydrophobicContact CB-CE1 4.1Å; P531-F576 HydrophobicContact CB-CZ 4.43Å
532	D	84	Confident	87.5	Confident	25 Å²	25	46.3 Å²	46.3	13%	0.134	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-64.2	-23.5	-178	-49.8	-99.7	0	0	0	113.2	T530	T530-D532 PolarHBondContact O-N 3.31Å; T530-D532 VanDerWaalsContact O-N 3.11Å
533	Y	94.4	Very high	87.4	Confident	5 Å²	5	46 Å²	46	2%	0.02	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-102.3	-3.6	-179.2	-58.2	-89.7	0	0	0	113.4	L493 K494 L495 T530 P531 S552 V555 L556 E559	L493-Y533 WeakPolarHBondContact O-CD1 3.43Å; K494-Y533 HydrophobicContact CB-CD1 4.34Å; K494-Y533 HydrophobicContact CB-CD2 3.63Å; K494-Y533 HydrophobicContact CB-CE1 4.08Å; K494-Y533 HydrophobicContact CB-CE2 3.28Å; K494-Y533 HydrophobicContact CB-CG 4.14Å; L495-Y533 PolarHBondContact N-OH 2.82Å; T530-Y533 HydrophobicContact CG2-CD2 3.99Å; T530-Y533 HydrophobicContact CG2-CE2 4.38Å; T530-Y533 PolarHBondContact O-N 2.85Å; P531-Y533 PolarHBondContact O-N 3.16Å; Y533-S552 PolarHBondContact O-OG 3.32Å; Y533-V555 HydrophobicContact CD1-CB 3.79Å; Y533-V555 HydrophobicContact CD1-CG1 3.43Å; Y533-V555 VanDerWaalsContact CD1-CG1 3.43Å; Y533-V555 HydrophobicContact CE1-CB 4.27Å; Y533-V555 HydrophobicContact CE1-CG1 3.62Å; Y533-V555 HydrophobicContact CG-CG1 4.17Å; Y533-L556 HydrophobicContact CE1-CB 4.21Å; Y533-E559 VanDerWaalsContact CE1-OE2 3.24Å; Y533-E559 WeakPolarHBondContact CE1-OE2 3.31Å; Y533-E559 PolarHBondContact OH-OE2 2.79Å
534	I	88.8	Confident	87.4	Confident	6 Å²	6	42.5 Å²	42.5	3%	0.031	22%	0.215	C	C	.	.			trans	-67.4	136.5	-178.7	-68.4	-176.2	0	0	0	110.8	F527 T530 P531 I538 V539 W551 F576	F527-I534 HydrophobicContact CE1-CD1 4.1Å; F527-I534 HydrophobicContact CZ-CD1 4.25Å; T530-I534 PolarHBondContact O-N 3.49Å; P531-I534 PolarHBondContact O-N 3.26Å; I534-I538 HydrophobicContact CG2-CB 3.68Å; I534-I538 HydrophobicContact CG2-CD1 4.32Å; I534-I538 HydrophobicContact CG2-CG2 3.78Å; I534-V539 HydrophobicContact CG2-CG2 3.77Å; I534-W551 PolarHBondContact O-NE1 2.74Å; I534-F576 HydrophobicContact CD1-CE1 4.28Å; I534-F576 HydrophobicContact CD1-CZ 4.4Å
535	A	96.1	Very high	87.7	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.224	C	C	.	.			trans	-78.3	147	179.9	0	0	0	0	0	113.2	E537 I538 V539 V548 W551	A535-E537 HydrophobicContact CB-CG 4.29Å; A535-E537 PolarHBondContact O-N 3.26Å; A535-E537 VanDerWaalsContact O-N 3.16Å; A535-I538 HydrophobicContact CB-CD1 4.26Å; A535-I538 HydrophobicContact CB-CG1 4.31Å; A535-I538 WeakPolarHBondContact O-CA 3.37Å; A535-I538 WeakPolarHBondContact O-CB 3.2Å; A535-I538 PolarHBondContact O-N 2.82Å; A535-V539 PolarHBondContact O-N 3.41Å; A535-V539 VanDerWaalsContact O-N 3.14Å; A535-V548 HydrophobicContact CB-CB 3.94Å; A535-V548 HydrophobicContact CB-CG1 3.88Å; A535-W551 VanDerWaalsContact CA-CD1 3.47Å; A535-W551 HydrophobicContact CB-CB 3.91Å; A535-W551 HydrophobicContact CB-CG 3.85Å
536	P	97.1	Very high	88.1	Confident	6 Å²	6	38 Å²	38	4%	0.039	20%	0.201	C	C	.	.	H	α-helix	trans	-54.3	-35.7	-178.8	-29.4	36.4	0	0	0	114.5	I538 V539 A540 W551 I579 M580 K604	P536-I538 VanDerWaalsContact C-N 3.32Å; P536-I538 PolarHBondContact O-N 3.35Å; P536-V539 PolarHBondContact O-N 2.96Å; P536-A540 VanDerWaalsContact O-CB 3.26Å; P536-A540 WeakPolarHBondContact O-CB 3.39Å; P536-A540 PolarHBondContact O-N 3.3Å; P536-W551 HydrophobicContact CG-CD2 4.33Å; P536-W551 HydrophobicContact CG-CE3 4.11Å; P536-W551 HydrophobicContact CG-CH2 3.48Å; P536-W551 VanDerWaalsContact CG-CH2 3.48Å; P536-W551 HydrophobicContact CG-CZ2 3.75Å; P536-W551 HydrophobicContact CG-CZ3 3.68Å; P536-I579 HydrophobicContact CB-CG2 4.42Å; P536-I579 HydrophobicContact CG-CG2 3.87Å; P536-M580 HydrophobicContact CB-SD 3.72Å; P536-M580 VanDerWaalsContact O-SD 3.38Å; P536-K604 HydrophobicContact CB-CB 4.37Å; P536-K604 HydrophobicContact CG-CB 4.06Å; P536-K604 HydrophobicContact CG-CG 4.25Å
537	E	97.2	Very high	88.9	Confident	3 Å²	3	34.9 Å²	34.9	1%	0.014	18%	0.182	C	C	.	.	H	α-helix	trans	-65.1	-32.2	175.4	58.2	-92.2	-142.1	0	0	113.2	A535 Y541 Q542 V548 P606 R609	A535-E537 HydrophobicContact CB-CG 4.29Å; A535-E537 PolarHBondContact O-N 3.26Å; A535-E537 VanDerWaalsContact O-N 3.16Å; E537-Y541 PolarHBondContact O-N 2.7Å; E537-Q542 HydrophobicContact CB-CB 4.19Å; E537-Q542 WeakPolarHBondContact O-CB 3.44Å; E537-Q542 PolarHBondContact O-N 3.18Å; E537-V548 HydrophobicContact CG-CG1 3.95Å; E537-P606 HydrophobicContact CB-CG 4.36Å; E537-P606 HydrophobicContact CG-CG 4.36Å; E537-P606 WeakPolarHBondContact OE1-CB 3.4Å; E537-R609 IonicContact OE1-CZ 3.65Å; E537-R609 IonicContact OE1-NH1 2.96Å; E537-R609 PolarHBondContact OE1-NH1 3.08Å; E537-R609 IonicContact OE1-NH2 3.84Å; E537-R609 PolarHBondContact OE1-NH2 3.04Å; E537-R609 IonicContact OE2-CZ 3.51Å; E537-R609 IonicContact OE2-NH1 4Å; E537-R609 IonicContact OE2-NH2 2.67Å; E537-R609 PolarHBondContact OE2-NH2 2.91Å
538	I	89.8	Confident	89.6	Confident	8 Å²	8	31.1 Å²	31.1	4%	0.041	17%	0.166	C	C	.	.	H	α-helix	trans	-72.2	-45.8	174.1	-56	175.8	0	0	0	109.5	F527 I534 A535 P536 A540 Y541 Y544 V548	F527-I538 HydrophobicContact CD2-CG2 3.89Å; F527-I538 HydrophobicContact CE2-CG2 4.2Å; F527-I538 HydrophobicContact CG-CG2 4.3Å; I534-I538 HydrophobicContact CG2-CB 3.68Å; I534-I538 HydrophobicContact CG2-CD1 4.32Å; I534-I538 HydrophobicContact CG2-CG2 3.78Å; A535-I538 HydrophobicContact CB-CD1 4.26Å; A535-I538 HydrophobicContact CB-CG1 4.31Å; A535-I538 WeakPolarHBondContact O-CA 3.37Å; A535-I538 WeakPolarHBondContact O-CB 3.2Å; A535-I538 PolarHBondContact O-N 2.82Å; P536-I538 VanDerWaalsContact C-N 3.32Å; P536-I538 PolarHBondContact O-N 3.35Å; I538-A540 PolarHBondContact O-N 2.95Å; I538-Y541 PolarHBondContact O-N 3.13Å; I538-Y544 HydrophobicContact CD1-CE1 4.36Å; I538-Y544 HydrophobicContact CD1-CE2 4.43Å; I538-Y544 HydrophobicContact CG1-CD1 3.77Å; I538-Y544 HydrophobicContact CG1-CD2 4.49Å; I538-Y544 HydrophobicContact CG1-CE1 3.85Å; I538-Y544 HydrophobicContact CG1-CG 4.1Å; I538-V548 HydrophobicContact CD1-CB 4.08Å; I538-V548 HydrophobicContact CD1-CG1 3.9Å; I538-V548 HydrophobicContact CD1-CG2 4.47Å; I538-V548 HydrophobicContact CG1-CG1 3.99Å
539	V	86.8	Confident	90.6	Very high	21 Å²	21	30.4 Å²	30.4	13%	0.127	16%	0.161	C	C	.	.	H	α-helix	trans	-55.9	-39.3	173.9	178.9	0	0	0	0	111.4	I534 A535 P536 Y541 F576 I579 M580	I534-V539 HydrophobicContact CG2-CG2 3.77Å; A535-V539 PolarHBondContact O-N 3.41Å; A535-V539 VanDerWaalsContact O-N 3.14Å; P536-V539 PolarHBondContact O-N 2.96Å; V539-Y541 VanDerWaalsContact C-N 3.26Å; V539-Y541 WeakPolarHBondContact O-CD2 3.44Å; V539-Y541 PolarHBondContact O-N 2.87Å; V539-F576 HydrophobicContact CG1-CB 3.73Å; V539-F576 HydrophobicContact CG1-CG 4.15Å; V539-F576 HydrophobicContact CG2-CB 4.46Å; V539-F576 HydrophobicContact CG2-CD1 3.99Å; V539-F576 HydrophobicContact CG2-CG 4.27Å; V539-I579 HydrophobicContact CG2-CG2 4.13Å; V539-M580 HydrophobicContact CB-CG 4.25Å; V539-M580 HydrophobicContact CB-SD 4.1Å; V539-M580 HydrophobicContact CG1-CG 3.66Å; V539-M580 HydrophobicContact CG1-SD 4.1Å
540	A	83.3	Confident	91.7	Very high	36 Å²	36	29.6 Å²	29.6	30%	0.298	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	5.7	177.7	0	0	0	0	0	114.6	P536 I538 Q542 M580	P536-A540 VanDerWaalsContact O-CB 3.26Å; P536-A540 WeakPolarHBondContact O-CB 3.39Å; P536-A540 PolarHBondContact O-N 3.3Å; I538-A540 PolarHBondContact O-N 2.95Å; A540-Q542 HydrophobicContact CB-CG 3.88Å; A540-Q542 PolarHBondContact O-N 3.29Å; A540-M580 HydrophobicContact CB-CE 3.98Å; A540-M580 HydrophobicContact CB-SD 4.47Å
541	Y	84.1	Confident	92.6	Very high	171 Å²	171	28 Å²	28	67%	0.671	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	32	-176.4	-62.4	-91.6	0	0	0	114.2	F527 E537 I538 V539	F527-Y541 HydrophobicContact CB-CE1 4.3Å; F527-Y541 HydrophobicContact CD2-CD1 4.13Å; F527-Y541 AromaticContact CD2-CE1 3.59Å; F527-Y541 HydrophobicContact CD2-CE1 3.59Å; F527-Y541 AromaticContact CD2-CZ 3.8Å; F527-Y541 HydrophobicContact CE2-CE1 4.28Å; F527-Y541 HydrophobicContact CE2-CE2 4.48Å; F527-Y541 HydrophobicContact CG-CE1 4.19Å; E537-Y541 PolarHBondContact O-N 2.7Å; I538-Y541 PolarHBondContact O-N 3.13Å; V539-Y541 VanDerWaalsContact C-N 3.26Å; V539-Y541 WeakPolarHBondContact O-CD2 3.44Å; V539-Y541 PolarHBondContact O-N 2.87Å
542	Q	90.3	Very high	93.4	Very high	99 Å²	99	26.7 Å²	26.7	46%	0.463	14%	0.135	S	C	.	.			trans	-85.1	154.7	179	-62.5	-179.5	7.3	0	0	111.1	E537 A540 Y544	E537-Q542 HydrophobicContact CB-CB 4.19Å; E537-Q542 WeakPolarHBondContact O-CB 3.44Å; E537-Q542 PolarHBondContact O-N 3.18Å; A540-Q542 HydrophobicContact CB-CG 3.88Å; A540-Q542 PolarHBondContact O-N 3.29Å; Q542-Y544 PolarHBondContact O-N 2.98Å
543	P	93.1	Very high	94.1	Very high	62 Å²	62	25.5 Å²	25.5	40%	0.403	13%	0.128	S	C	.	.			trans	-64.1	131	169.3	-13.5	28.2	0	0	0	110.3	T523 T524 R525	T523-P543 HydrophobicContact CG2-CB 4.17Å; T524-P543 WeakPolarHBondContact O-CA 3.49Å; R525-P543 HydrophobicContact CG-CB 4.32Å
544	Y	95.3	Very high	94.3	Very high	6 Å²	6	25.3 Å²	25.3	2%	0.024	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-131.5	162.7	-173.8	68.5	-98.8	0	0	0	113	I489 R491 T523 T524 T526 C528 I538 Q542 V548	I489-Y544 HydrophobicContact CD1-CD2 4.29Å; I489-Y544 HydrophobicContact CD1-CE2 3.92Å; R491-Y544 WeakPolarHBondContact CD-OH 3.42Å; R491-Y544 HydrophobicContact CG-CE2 4.48Å; R491-Y544 PolarHBondContact NH1-OH 3.26Å; R491-Y544 VanDerWaalsContact NH1-OH 3.1Å; T523-Y544 CarbonylContact C-O 3.54Å; T523-Y544 VanDerWaalsContact CA-O 3.26Å; T523-Y544 WeakPolarHBondContact CA-O 3.49Å; T524-Y544 HydrophobicContact CG2-CD2 3.96Å; T524-Y544 HydrophobicContact CG2-CE1 4.22Å; T524-Y544 HydrophobicContact CG2-CE2 3.41Å; T524-Y544 VanDerWaalsContact CG2-CE2 3.41Å; T524-Y544 PolarHBondContact N-O 2.75Å; T524-Y544 WeakPolarHBondContact O-CD1 3.34Å; T524-Y544 PolarHBondContact O-N 2.99Å; T526-Y544 VanDerWaalsContact O-CE1 3.26Å; T526-Y544 WeakPolarHBondContact O-CE1 3.32Å; T526-Y544 PolarHBondContact O-OH 2.83Å; C528-Y544 PolarHBondContact SG-OH 2.94Å; I538-Y544 HydrophobicContact CD1-CE1 4.36Å; I538-Y544 HydrophobicContact CD1-CE2 4.43Å; I538-Y544 HydrophobicContact CG1-CD1 3.77Å; I538-Y544 HydrophobicContact CG1-CD2 4.49Å; I538-Y544 HydrophobicContact CG1-CE1 3.85Å; I538-Y544 HydrophobicContact CG1-CG 4.1Å; Q542-Y544 PolarHBondContact O-N 2.98Å; Y544-V548 HydrophobicContact CD2-CB 4.34Å; Y544-V548 HydrophobicContact CD2-CG1 3.48Å; Y544-V548 VanDerWaalsContact CD2-CG1 3.48Å; Y544-V548 HydrophobicContact CD2-CG2 3.91Å; Y544-V548 HydrophobicContact CE2-CG1 4.3Å; Y544-V548 HydrophobicContact CE2-CG2 4.1Å; Y544-V548 HydrophobicContact CG-CG1 3.77Å
545	N	95.6	Very high	94.7	Very high	53 Å²	53	25 Å²	25	28%	0.283	13%	0.126	S	C	.	.			trans	-137.6	-159.1	-178	70	10	0	0	0	110.6	M518 D522 A547 V548	M518-N545 HydrophobicContact CE-CB 4.39Å; D522-N545 WeakPolarHBondContact O-CB 3.32Å; N545-A547 PolarHBondContact O-N 2.84Å; N545-A547 WeakPolarHBondContact OD1-CB 3.23Å; N545-A547 PolarHBondContact OD1-N 2.78Å; N545-V548 WeakPolarHBondContact O-CG2 2.95Å; N545-V548 PolarHBondContact O-N 2.98Å
546	K	95.8	Very high	94.8	Very high	53 Å²	53	25 Å²	25	23%	0.23	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-18.5	179.6	74.5	174	-173.2	175.2	0	116	H484 I489 V548 D549 G613	H484-K546 HydrophobicContact CB-CD 4.43Å; I489-K546 HydrophobicContact CG2-CB 3.8Å; K546-V548 PolarHBondContact O-N 3.24Å; K546-D549 PolarHBondContact O-N 2.89Å; K546-G613 WeakPolarHBondContact CE-O 3.3Å; K546-G613 PolarHBondContact NZ-O 3.25Å
547	A	96.9	Very high	94.9	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.008	12%	0.124	C	C	.	.	H	α-helix	trans	-60.6	-22.9	177	0	0	0	0	0	113.8	N545 W550 W551 P606 R609	N545-A547 PolarHBondContact O-N 2.84Å; N545-A547 WeakPolarHBondContact OD1-CB 3.23Å; N545-A547 PolarHBondContact OD1-N 2.78Å; A547-W550 PolarHBondContact O-N 2.96Å; A547-W551 PolarHBondContact O-N 3.25Å; A547-P606 HydrophobicContact CB-CB 3.77Å; A547-R609 PolarHBondContact O-NH1 2.99Å
548	V	97.9	Very high	95	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	12%	0.124	C	C	.	.	H	α-helix	trans	-68.2	-39.9	178.2	-55.9	0	0	0	0	112.1	R491 A535 E537 I538 Y544 N545 K546 W550 W551 S552	R491-V548 HydrophobicContact CG-CG2 4.34Å; A535-V548 HydrophobicContact CB-CB 3.94Å; A535-V548 HydrophobicContact CB-CG1 3.88Å; E537-V548 HydrophobicContact CG-CG1 3.95Å; I538-V548 HydrophobicContact CD1-CB 4.08Å; I538-V548 HydrophobicContact CD1-CG1 3.9Å; I538-V548 HydrophobicContact CD1-CG2 4.47Å; I538-V548 HydrophobicContact CG1-CG1 3.99Å; Y544-V548 HydrophobicContact CD2-CB 4.34Å; Y544-V548 HydrophobicContact CD2-CG1 3.48Å; Y544-V548 VanDerWaalsContact CD2-CG1 3.48Å; Y544-V548 HydrophobicContact CD2-CG2 3.91Å; Y544-V548 HydrophobicContact CE2-CG1 4.3Å; Y544-V548 HydrophobicContact CE2-CG2 4.1Å; Y544-V548 HydrophobicContact CG-CG1 3.77Å; N545-V548 WeakPolarHBondContact O-CG2 2.95Å; N545-V548 PolarHBondContact O-N 2.98Å; K546-V548 PolarHBondContact O-N 3.24Å; V548-W550 PolarHBondContact O-N 3.16Å; V548-W551 WeakPolarHBondContact O-CB 3.18Å; V548-W551 PolarHBondContact O-N 3.25Å; V548-S552 PolarHBondContact O-N 3.18Å; V548-S552 PolarHBondContact O-OG 3.31Å
549	D	98.5	Very high	95.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.4	-36.7	177.3	-63.9	-20.7	0	0	0	110.5	L480 H484 I489 Y490 R491 K546 W551 S552 Y553	L480-D549 HydrophobicContact CD2-CB 4.27Å; H484-D549 IonicContact CD2-OD2 3.88Å; H484-D549 IonicContact CE1-OD2 2.89Å; H484-D549 IonicContact NE2-OD2 2.7Å; H484-D549 PolarHBondContact NE2-OD2 2.75Å; I489-D549 WeakPolarHBondContact CA-OD2 3.23Å; Y490-D549 PolarHBondContact N-OD1 3.48Å; Y490-D549 PolarHBondContact N-OD2 3.04Å; R491-D549 PolarHBondContact N-OD1 2.87Å; K546-D549 PolarHBondContact O-N 2.89Å; D549-W551 VanDerWaalsContact C-N 3.33Å; D549-W551 PolarHBondContact O-N 3.49Å; D549-S552 PolarHBondContact O-N 2.73Å; D549-Y553 WeakPolarHBondContact O-CB 3.41Å; D549-Y553 PolarHBondContact O-N 2.6Å
550	W	98.6	Very high	95.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-70.5	-24.2	175.4	-63.5	120.6	0	0	0	113.9	A477 L480 F481 H484 A547 V548 Y553 G554 L601 G611 I620	A477-W550 HydrophobicContact CB-CH2 4.36Å; A477-W550 HydrophobicContact CB-CZ3 4.36Å; L480-W550 HydrophobicContact CB-CH2 3.66Å; L480-W550 HydrophobicContact CB-CZ2 4.04Å; L480-W550 HydrophobicContact CB-CZ3 4.3Å; L480-W550 HydrophobicContact CD1-CE3 4.1Å; L480-W550 HydrophobicContact CD1-CH2 3.84Å; L480-W550 HydrophobicContact CD1-CZ3 3.59Å; L480-W550 HydrophobicContact CG-CH2 4.43Å; F481-W550 AromaticContact CD1-CH2 3.65Å; F481-W550 HydrophobicContact CD1-CH2 3.65Å; F481-W550 AromaticContact CD1-CZ2 3.62Å; F481-W550 HydrophobicContact CD1-CZ2 3.62Å; F481-W550 AromaticContact CE1-CH2 3.26Å; F481-W550 HydrophobicContact CE1-CH2 3.26Å; F481-W550 AromaticContact CE1-CZ2 3.47Å; F481-W550 HydrophobicContact CE1-CZ2 3.47Å; F481-W550 VanDerWaalsContact CE1-CZ2 3.47Å; F481-W550 HydrophobicContact CE1-CZ3 4.31Å; F481-W550 HydrophobicContact CZ-CH2 4Å; H484-W550 AromaticContact CE1-CD1 3.99Å; H484-W550 AromaticContact CE1-CE2 3.61Å; H484-W550 AromaticContact CE1-CZ2 3.84Å; H484-W550 AromaticContact CE1-NE1 3.28Å; H484-W550 PolarHBondContact CE1-NE1 3.22Å; H484-W550 VanDerWaalsContact CE1-NE1 3.28Å; H484-W550 AromaticContact ND1-CE2 3.76Å; H484-W550 AromaticContact ND1-CZ2 3.76Å; H484-W550 AromaticContact ND1-NE1 3.34Å; H484-W550 PolarHBondContact ND1-NE1 3.22Å; A547-W550 PolarHBondContact O-N 2.96Å; V548-W550 PolarHBondContact O-N 3.16Å; W550-Y553 AromaticContact CE3-CD1 3.59Å; W550-Y553 HydrophobicContact CE3-CD1 3.59Å; W550-Y553 HydrophobicContact CE3-CE1 4.12Å; W550-Y553 AromaticContact CE3-CG 3.95Å; W550-Y553 HydrophobicContact CE3-CG 3.95Å; W550-Y553 AromaticContact CZ3-CD1 3.8Å; W550-Y553 HydrophobicContact CZ3-CD1 3.8Å; W550-Y553 HydrophobicContact CZ3-CD2 4.44Å; W550-Y553 AromaticContact CZ3-CE1 3.95Å; W550-Y553 HydrophobicContact CZ3-CE1 3.95Å; W550-Y553 HydrophobicContact CZ3-CG 4.06Å; W550-G554 PolarHBondContact O-N 2.95Å; W550-G554 VanDerWaalsContact O-N 3.13Å; W550-L601 HydrophobicContact CB-CD2 4.27Å; W550-G611 PolarHBondContact NE1-O 3.21Å; W550-I620 HydrophobicContact CD2-CD1 3.6Å; W550-I620 HydrophobicContact CE3-CD1 3.41Å; W550-I620 VanDerWaalsContact CE3-CD1 3.41Å; W550-I620 HydrophobicContact CG-CD1 4.38Å; W550-I620 HydrophobicContact CH2-CD1 3.86Å; W550-I620 HydrophobicContact CZ2-CD1 4.02Å; W550-I620 HydrophobicContact CZ3-CD1 3.54Å
551	W	98.7	Very high	96.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-71.8	-51.4	167.9	172	-86.1	0	0	0	111.1	I534 A535 P536 A547 V548 D549 Y553 G554 V555 F567 I579 L602 K604	I534-W551 PolarHBondContact O-NE1 2.74Å; A535-W551 VanDerWaalsContact CA-CD1 3.47Å; A535-W551 HydrophobicContact CB-CB 3.91Å; A535-W551 HydrophobicContact CB-CG 3.85Å; P536-W551 HydrophobicContact CG-CD2 4.33Å; P536-W551 HydrophobicContact CG-CE3 4.11Å; P536-W551 HydrophobicContact CG-CH2 3.48Å; P536-W551 VanDerWaalsContact CG-CH2 3.48Å; P536-W551 HydrophobicContact CG-CZ2 3.75Å; P536-W551 HydrophobicContact CG-CZ3 3.68Å; A547-W551 PolarHBondContact O-N 3.25Å; V548-W551 WeakPolarHBondContact O-CB 3.18Å; V548-W551 PolarHBondContact O-N 3.25Å; D549-W551 VanDerWaalsContact C-N 3.33Å; D549-W551 PolarHBondContact O-N 3.49Å; W551-Y553 PolarHBondContact O-N 2.94Å; W551-G554 CarbonylContact O-C 3.52Å; W551-G554 VanDerWaalsContact O-CA 3.31Å; W551-G554 WeakPolarHBondContact O-CA 3.21Å; W551-G554 PolarHBondContact O-N 2.87Å; W551-V555 PolarHBondContact O-N 3Å; W551-F567 AromaticContact CH2-CE2 3.72Å; W551-F567 HydrophobicContact CH2-CE2 3.72Å; W551-F567 AromaticContact CH2-CZ 3.59Å; W551-F567 HydrophobicContact CH2-CZ 3.59Å; W551-F567 HydrophobicContact CZ2-CD2 4.23Å; W551-F567 AromaticContact CZ2-CE2 3.31Å; W551-F567 HydrophobicContact CZ2-CE2 3.31Å; W551-F567 AromaticContact CZ2-CZ 3.69Å; W551-F567 HydrophobicContact CZ2-CZ 3.69Å; W551-I579 HydrophobicContact CZ2-CG2 3.99Å; W551-L602 HydrophobicContact CD2-CD2 4.12Å; W551-L602 HydrophobicContact CE3-CD2 4.2Å; W551-L602 HydrophobicContact CH2-CD2 4.44Å; W551-L602 HydrophobicContact CZ2-CD2 4.34Å; W551-L602 VanDerWaalsContact CZ3-C 3.47Å; W551-L602 HydrophobicContact CZ3-CB 4.24Å; W551-L602 HydrophobicContact CZ3-CD2 4.37Å; W551-L602 WeakPolarHBondContact CZ3-O 3.35Å; W551-K604 HydrophobicContact CH2-CG 4.13Å; W551-K604 HydrophobicContact CZ3-CG 4.07Å
552	S	98.6	Very high	96.7	Very high	5 Å²	5	14.7 Å²	14.7	4%	0.035	8%	0.078	C	C	.	.	H	α-helix	trans	-60.5	-36.5	179.2	-50.9	0	0	0	0	111.7	Y533 V548 D549 V555 L556	Y533-S552 PolarHBondContact O-OG 3.32Å; V548-S552 PolarHBondContact O-N 3.18Å; V548-S552 PolarHBondContact O-OG 3.31Å; D549-S552 PolarHBondContact O-N 2.73Å; S552-V555 WeakPolarHBondContact O-CB 3.35Å; S552-V555 PolarHBondContact O-N 2.8Å; S552-L556 WeakPolarHBondContact O-CB 3.37Å; S552-L556 PolarHBondContact O-N 2.94Å
553	Y	98.8	Very high	96.5	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-61.3	-42.2	169.5	178.8	-107	0	0	0	112	A473 I476 A477 L480 L493 D549 W550 W551 V555 L556 M557 L601 F626	A473-Y553 HydrophobicContact CB-CE2 4.28Å; A473-Y553 VanDerWaalsContact O-CE2 3.27Å; A473-Y553 WeakPolarHBondContact O-CE2 3.43Å; A473-Y553 PolarHBondContact O-OH 3.02Å; I476-Y553 HydrophobicContact CB-CE2 4.15Å; I476-Y553 HydrophobicContact CG2-CD2 3.78Å; I476-Y553 HydrophobicContact CG2-CE2 3.89Å; A477-Y553 HydrophobicContact CB-CE2 4.2Å; L480-Y553 HydrophobicContact CD1-CD2 3.96Å; L480-Y553 HydrophobicContact CD1-CG 4.23Å; L493-Y553 HydrophobicContact CD2-CD2 4.18Å; D549-Y553 WeakPolarHBondContact O-CB 3.41Å; D549-Y553 PolarHBondContact O-N 2.6Å; W550-Y553 AromaticContact CE3-CD1 3.59Å; W550-Y553 HydrophobicContact CE3-CD1 3.59Å; W550-Y553 HydrophobicContact CE3-CE1 4.12Å; W550-Y553 AromaticContact CE3-CG 3.95Å; W550-Y553 HydrophobicContact CE3-CG 3.95Å; W550-Y553 AromaticContact CZ3-CD1 3.8Å; W550-Y553 HydrophobicContact CZ3-CD1 3.8Å; W550-Y553 HydrophobicContact CZ3-CD2 4.44Å; W550-Y553 AromaticContact CZ3-CE1 3.95Å; W550-Y553 HydrophobicContact CZ3-CE1 3.95Å; W550-Y553 HydrophobicContact CZ3-CG 4.06Å; W551-Y553 PolarHBondContact O-N 2.94Å; Y553-V555 VanDerWaalsContact C-N 3.33Å; Y553-V555 PolarHBondContact O-N 3.5Å; Y553-L556 PolarHBondContact O-N 3.45Å; Y553-M557 HydrophobicContact CD1-CG 4.43Å; Y553-M557 HydrophobicContact CD1-SD 4.03Å; Y553-M557 HydrophobicContact CE1-CG 4.21Å; Y553-M557 HydrophobicContact CE1-SD 3.43Å; Y553-M557 WeakPolarHBondContact CE1-SD 3.23Å; Y553-M557 HydrophobicContact CE2-CG 4.38Å; Y553-M557 HydrophobicContact CE2-SD 4.43Å; Y553-M557 WeakPolarHBondContact O-CB 3.25Å; Y553-M557 VanDerWaalsContact O-CG 3.28Å; Y553-M557 WeakPolarHBondContact O-CG 3.48Å; Y553-M557 PolarHBondContact O-N 2.74Å; Y553-L601 HydrophobicContact CD1-CD1 3.55Å; Y553-L601 HydrophobicContact CD1-CD2 3.99Å; Y553-L601 HydrophobicContact CD1-CG 4.41Å; Y553-L601 HydrophobicContact CE1-CD1 3.77Å; Y553-L601 HydrophobicContact CE1-CD2 4.45Å; Y553-F626 WeakPolarHBondContact OH-CZ 3.33Å
554	G	98.7	Very high	96.1	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-61.5	-36	172.1	0	0	0	0	0	114.3	W550 W551 Y558	W550-G554 PolarHBondContact O-N 2.95Å; W550-G554 VanDerWaalsContact O-N 3.13Å; W551-G554 CarbonylContact O-C 3.52Å; W551-G554 VanDerWaalsContact O-CA 3.31Å; W551-G554 WeakPolarHBondContact O-CA 3.21Å; W551-G554 PolarHBondContact O-N 2.87Å; G554-Y558 WeakPolarHBondContact O-CB 3.39Å; G554-Y558 PolarHBondContact O-N 3.18Å; G554-Y558 VanDerWaalsContact O-N 3.08Å
555	V	98.5	Very high	95.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-66.5	-54.2	173.9	174.9	0	0	0	0	109.8	Y533 W551 S552 Y553 M557 Y558 E559 P566 L602	Y533-V555 HydrophobicContact CD1-CB 3.79Å; Y533-V555 HydrophobicContact CD1-CG1 3.43Å; Y533-V555 VanDerWaalsContact CD1-CG1 3.43Å; Y533-V555 HydrophobicContact CE1-CB 4.27Å; Y533-V555 HydrophobicContact CE1-CG1 3.62Å; Y533-V555 HydrophobicContact CG-CG1 4.17Å; W551-V555 PolarHBondContact O-N 3Å; S552-V555 WeakPolarHBondContact O-CB 3.35Å; S552-V555 PolarHBondContact O-N 2.8Å; Y553-V555 VanDerWaalsContact C-N 3.33Å; Y553-V555 PolarHBondContact O-N 3.5Å; V555-M557 VanDerWaalsContact C-N 3.34Å; V555-M557 PolarHBondContact O-N 3.48Å; V555-Y558 WeakPolarHBondContact O-CB 3.42Å; V555-Y558 PolarHBondContact O-N 2.79Å; V555-E559 PolarHBondContact O-N 3.03Å; V555-P566 HydrophobicContact CB-CG 4.26Å; V555-P566 HydrophobicContact CG1-CG 3.92Å; V555-P566 HydrophobicContact CG2-CG 4.01Å; V555-L602 HydrophobicContact CG2-CD2 3.66Å
556	L	98.3	Very high	95.5	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-57.4	-44	179.1	-167.5	161.2	0	0	0	111.7	I476 L493 L495 V498 Y533 S552 Y553 Y558 E559 M560	I476-L556 HydrophobicContact CD1-CD1 4.43Å; I476-L556 HydrophobicContact CD1-CD2 3.79Å; L493-L556 HydrophobicContact CD1-CD1 3.91Å; L493-L556 HydrophobicContact CD2-CD1 4.49Å; L493-L556 HydrophobicContact CG-CD1 3.82Å; L495-L556 HydrophobicContact CD2-CD1 4.5Å; L495-L556 HydrophobicContact CD2-CD2 4Å; L495-L556 HydrophobicContact CD2-CG 3.84Å; L495-L556 HydrophobicContact CG-CG 4.25Å; V498-L556 HydrophobicContact CG2-CD1 4.06Å; Y533-L556 HydrophobicContact CE1-CB 4.21Å; S552-L556 WeakPolarHBondContact O-CB 3.37Å; S552-L556 PolarHBondContact O-N 2.94Å; Y553-L556 PolarHBondContact O-N 3.45Å; L556-Y558 PolarHBondContact O-N 2.82Å; L556-E559 PolarHBondContact O-N 3.21Å; L556-M560 HydrophobicContact CD2-CE 3.76Å; L556-M560 HydrophobicContact CD2-CG 4.08Å; L556-M560 HydrophobicContact CD2-SD 4.02Å; L556-M560 WeakPolarHBondContact O-CG 3.32Å; L556-M560 PolarHBondContact O-N 2.97Å
557	M	98.3	Very high	95.3	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.005	6%	0.055	C	C	.	.	H	α-helix	trans	-60.2	-43.8	173.5	-77.4	-164.6	74.5	0	0	112.7	A473 Y553 V555 E559 M560 L561 I597 L601 F625 F626	A473-M557 HydrophobicContact CB-CE 3.81Å; A473-M557 HydrophobicContact CB-CG 3.93Å; A473-M557 HydrophobicContact CB-SD 4.02Å; Y553-M557 HydrophobicContact CD1-CG 4.43Å; Y553-M557 HydrophobicContact CD1-SD 4.03Å; Y553-M557 HydrophobicContact CE1-CG 4.21Å; Y553-M557 HydrophobicContact CE1-SD 3.43Å; Y553-M557 WeakPolarHBondContact CE1-SD 3.23Å; Y553-M557 HydrophobicContact CE2-CG 4.38Å; Y553-M557 HydrophobicContact CE2-SD 4.43Å; Y553-M557 WeakPolarHBondContact O-CB 3.25Å; Y553-M557 VanDerWaalsContact O-CG 3.28Å; Y553-M557 WeakPolarHBondContact O-CG 3.48Å; Y553-M557 PolarHBondContact O-N 2.74Å; V555-M557 VanDerWaalsContact C-N 3.34Å; V555-M557 PolarHBondContact O-N 3.48Å; M557-E559 VanDerWaalsContact C-N 3.35Å; M557-M560 HydrophobicContact CG-CE 4.41Å; M557-L561 WeakPolarHBondContact O-CB 3.33Å; M557-L561 WeakPolarHBondContact O-CD1 3.36Å; M557-L561 VanDerWaalsContact O-CG 3.26Å; M557-L561 WeakPolarHBondContact O-CG 3.25Å; M557-L561 PolarHBondContact O-N 2.81Å; M557-I597 HydrophobicContact CE-CD1 4.03Å; M557-I597 HydrophobicContact CE-CG1 4.43Å; M557-I597 HydrophobicContact CE-CG2 3.74Å; M557-I597 HydrophobicContact SD-CD1 4.14Å; M557-I597 HydrophobicContact SD-CG1 4.38Å; M557-I597 HydrophobicContact SD-CG2 4.5Å; M557-L601 HydrophobicContact SD-CD1 3.63Å; M557-F625 HydrophobicContact CE-CD1 3.72Å; M557-F625 HydrophobicContact CE-CE1 3.2Å; M557-F625 HydrophobicContact CE-CZ 3.76Å; M557-F626 HydrophobicContact CE-CZ 4.15Å
558	Y	98.3	Very high	94.6	Very high	5 Å²	5	15.2 Å²	15.2	2%	0.02	9%	0.085	C	C	.	.	H	α-helix	trans	-62.9	-42.8	177	175.1	-85.1	0	0	0	110.9	G554 V555 L556 L561 A562 Q564 P565 P566 V584 S585 Y586	G554-Y558 WeakPolarHBondContact O-CB 3.39Å; G554-Y558 PolarHBondContact O-N 3.18Å; G554-Y558 VanDerWaalsContact O-N 3.08Å; V555-Y558 WeakPolarHBondContact O-CB 3.42Å; V555-Y558 PolarHBondContact O-N 2.79Å; L556-Y558 PolarHBondContact O-N 2.82Å; Y558-L561 CarbonylContact O-C 2.94Å; Y558-L561 PolarHBondContact O-N 2.82Å; Y558-A562 HydrophobicContact CD1-CB 4.02Å; Y558-A562 HydrophobicContact CE1-CB 3.63Å; Y558-A562 HydrophobicContact CE2-CB 4.18Å; Y558-A562 HydrophobicContact CG-CB 4.46Å; Y558-A562 WeakPolarHBondContact O-CB 3.22Å; Y558-A562 PolarHBondContact O-N 2.89Å; Y558-Q564 WeakPolarHBondContact CD1-O 3.47Å; Y558-Q564 HydrophobicContact CE1-CG 4.34Å; Y558-Q564 WeakPolarHBondContact CE1-O 3.36Å; Y558-P565 VanDerWaalsContact CE1-C 3.48Å; Y558-P565 WeakPolarHBondContact CE1-O 3.36Å; Y558-P566 HydrophobicContact CD1-CB 3.59Å; Y558-P566 HydrophobicContact CD1-CG 4.04Å; Y558-P566 HydrophobicContact CD2-CB 4.38Å; Y558-P566 VanDerWaalsContact CE1-CA 3.43Å; Y558-P566 HydrophobicContact CE1-CB 3.84Å; Y558-P566 HydrophobicContact CG-CB 3.89Å; Y558-P566 HydrophobicContact CG-CG 4.42Å; Y558-V584 HydrophobicContact CD2-CG1 4.02Å; Y558-V584 HydrophobicContact CE2-CG1 3.75Å; Y558-S585 VanDerWaalsContact CE2-O 3.31Å; Y558-S585 WeakPolarHBondContact CE2-O 3.19Å; Y558-S585 PolarHBondContact OH-O 3.36Å; Y558-Y586 HydrophobicContact CD2-CD1 4.45Å; Y558-Y586 HydrophobicContact CD2-CE1 4.17Å; Y558-Y586 HydrophobicContact CE2-CD1 4.29Å; Y558-Y586 HydrophobicContact CE2-CE1 4.35Å
559	E	94.9	Very high	93.2	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.019	9%	0.091	C	C	.	.	H	α-helix	trans	-62.5	-46.3	177.8	-70.3	-176.8	133.7	0	0	112.6	L144 L495 Y533 V555 L556 M557 L561 A562 G563	L144-E559 VanDerWaalsContact CD1-OE1 3.23Å; L144-E559 WeakPolarHBondContact CD1-OE1 3.42Å; L495-E559 HydrophobicContact CD1-CB 4.1Å; L495-E559 WeakPolarHBondContact CD1-OE2 3.33Å; Y533-E559 VanDerWaalsContact CE1-OE2 3.24Å; Y533-E559 WeakPolarHBondContact CE1-OE2 3.31Å; Y533-E559 PolarHBondContact OH-OE2 2.79Å; V555-E559 PolarHBondContact O-N 3.03Å; L556-E559 PolarHBondContact O-N 3.21Å; M557-E559 VanDerWaalsContact C-N 3.35Å; E559-L561 PolarHBondContact O-N 2.84Å; E559-A562 PolarHBondContact O-N 2.76Å; E559-G563 WeakPolarHBondContact O-CA 3.27Å; E559-G563 PolarHBondContact O-N 3.03Å
560	M	96.8	Very high	91.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-54.1	-37.7	173.9	-73.9	-160.7	-66.1	0	0	112.4	L454 I458 F464 A469 Y472 A473 L495 L556 M557	L454-M560 HydrophobicContact CD1-SD 4.25Å; I458-M560 HydrophobicContact CD1-CG 4.07Å; F464-M560 WeakPolarHBondContact CB-O 2.93Å; F464-M560 HydrophobicContact CD2-CB 3.93Å; F464-M560 HydrophobicContact CD2-CG 3.73Å; F464-M560 HydrophobicContact CD2-SD 3.87Å; F464-M560 HydrophobicContact CE2-CG 4.09Å; F464-M560 HydrophobicContact CE2-SD 4.11Å; F464-M560 PolarHBondContact N-O 2.93Å; A469-M560 HydrophobicContact CB-CB 3.88Å; A469-M560 HydrophobicContact CB-CE 4.31Å; A469-M560 HydrophobicContact CB-SD 4.46Å; A469-M560 WeakPolarHBondContact O-CE 3.29Å; Y472-M560 HydrophobicContact CD2-SD 4.44Å; A473-M560 HydrophobicContact CB-CE 3.89Å; L495-M560 HydrophobicContact CD2-CG 4.29Å; L556-M560 HydrophobicContact CD2-CE 3.76Å; L556-M560 HydrophobicContact CD2-CG 4.08Å; L556-M560 HydrophobicContact CD2-SD 4.02Å; L556-M560 WeakPolarHBondContact O-CG 3.32Å; L556-M560 PolarHBondContact O-N 2.97Å; M557-M560 HydrophobicContact CG-CE 4.41Å
561	L	97.1	Very high	89.5	Confident	5 Å²	5	21.7 Å²	21.7	3%	0.026	12%	0.122	C	C	.	.	H	α-helix	trans	-87.8	-29.6	-175.9	-69.6	167.9	0	0	0	113.9	E466 A469 M557 Y558 E559 L590 A594 F625	E466-L561 HydrophobicContact CB-CD2 4.22Å; E466-L561 HydrophobicContact CG-CD2 3.98Å; A469-L561 HydrophobicContact CB-CD2 3.66Å; A469-L561 HydrophobicContact CB-CG 4.02Å; M557-L561 WeakPolarHBondContact O-CB 3.33Å; M557-L561 WeakPolarHBondContact O-CD1 3.36Å; M557-L561 VanDerWaalsContact O-CG 3.26Å; M557-L561 WeakPolarHBondContact O-CG 3.25Å; M557-L561 PolarHBondContact O-N 2.81Å; Y558-L561 CarbonylContact O-C 2.94Å; Y558-L561 PolarHBondContact O-N 2.82Å; E559-L561 PolarHBondContact O-N 2.84Å; L561-L590 HydrophobicContact CB-CD2 3.91Å; L561-L590 WeakPolarHBondContact O-CD2 3.32Å; L561-A594 HydrophobicContact CD1-CB 4.1Å; L561-F625 HydrophobicContact CD1-CE2 4.32Å; L561-F625 HydrophobicContact CD1-CZ 4.26Å; L561-F625 HydrophobicContact CD2-CE2 4.48Å; L561-F625 HydrophobicContact CD2-CZ 4.41Å
562	A	92	Very high	88.3	Confident	13 Å²	13	24.6 Å²	24.6	11%	0.107	14%	0.135	C	C	.	.	H	α-helix	trans	-104.9	-32.9	-172.3	0	0	0	0	0	113.9	Y558 E559 Q564 P587	Y558-A562 HydrophobicContact CD1-CB 4.02Å; Y558-A562 HydrophobicContact CE1-CB 3.63Å; Y558-A562 HydrophobicContact CE2-CB 4.18Å; Y558-A562 HydrophobicContact CG-CB 4.46Å; Y558-A562 WeakPolarHBondContact O-CB 3.22Å; Y558-A562 PolarHBondContact O-N 2.89Å; E559-A562 PolarHBondContact O-N 2.76Å; A562-Q564 HydrophobicContact CB-CG 4.13Å; A562-P587 HydrophobicContact CB-CG 4.38Å
563	G	85	Confident	87	Confident	14 Å²	14	30.2 Å²	30.2	14%	0.144	16%	0.161	C	C	.	.	S	Bend	trans	82	19	-173.4	0	0	0	0	0	114.8	I145 G462 E559	I145-G563 WeakPolarHBondContact CD1-O 3.04Å; G462-G563 WeakPolarHBondContact O-CA 3.4Å; E559-G563 WeakPolarHBondContact O-CA 3.27Å; E559-G563 PolarHBondContact O-N 3.03Å
564	Q	84.7	Confident	86.1	Confident	104 Å²	104	34.3 Å²	34.3	49%	0.486	18%	0.18	S	C	.	.	S	Bend	trans	-162.3	156.6	-176.9	62.2	-175.2	8.5	0	0	109.2	Y558 A562	Y558-Q564 WeakPolarHBondContact CD1-O 3.47Å; Y558-Q564 HydrophobicContact CE1-CG 4.34Å; Y558-Q564 WeakPolarHBondContact CE1-O 3.36Å; A562-Q564 HydrophobicContact CB-CG 4.13Å
565	P	88.7	Confident	85.4	Confident	37 Å²	37	34.6 Å²	34.6	24%	0.24	18%	0.182	C	C	.	.			trans	-67.7	157.1	176.6	28.2	-36.1	0	0	0	112.9	Y558 F567	Y558-P565 VanDerWaalsContact CE1-C 3.48Å; Y558-P565 WeakPolarHBondContact CE1-O 3.36Å; P565-F567 VanDerWaalsContact C-N 3.35Å; P565-F567 WeakPolarHBondContact CB-O 3.37Å; P565-F567 WeakPolarHBondContact CG-O 3.43Å
566	P	90.4	Very high	84.7	Confident	6 Å²	6	36.4 Å²	36.4	4%	0.039	19%	0.19	C	C	.	.	S	Bend	trans	-78.4	-18	179.3	28	-30.3	0	0	0	114	V555 Y558 V584 L602	V555-P566 HydrophobicContact CB-CG 4.26Å; V555-P566 HydrophobicContact CG1-CG 3.92Å; V555-P566 HydrophobicContact CG2-CG 4.01Å; Y558-P566 HydrophobicContact CD1-CB 3.59Å; Y558-P566 HydrophobicContact CD1-CG 4.04Å; Y558-P566 HydrophobicContact CD2-CB 4.38Å; Y558-P566 VanDerWaalsContact CE1-CA 3.43Å; Y558-P566 HydrophobicContact CE1-CB 3.84Å; Y558-P566 HydrophobicContact CG-CB 3.89Å; Y558-P566 HydrophobicContact CG-CG 4.42Å; P566-V584 HydrophobicContact CB-CG1 3.82Å; P566-V584 HydrophobicContact CB-CG2 4.17Å; P566-L602 HydrophobicContact CB-CD1 3.94Å; P566-L602 HydrophobicContact CG-CD1 4.23Å
567	F	91.5	Very high	84.1	Confident	3 Å²	3	41.4 Å²	41.4	1%	0.013	21%	0.213	C	C	.	.			trans	-129.4	158.6	176	-52.4	-76	0	0	0	108.7	W551 P565 L575 S578 I579 V584 L602	W551-F567 AromaticContact CH2-CE2 3.72Å; W551-F567 HydrophobicContact CH2-CE2 3.72Å; W551-F567 AromaticContact CH2-CZ 3.59Å; W551-F567 HydrophobicContact CH2-CZ 3.59Å; W551-F567 HydrophobicContact CZ2-CD2 4.23Å; W551-F567 AromaticContact CZ2-CE2 3.31Å; W551-F567 HydrophobicContact CZ2-CE2 3.31Å; W551-F567 AromaticContact CZ2-CZ 3.69Å; W551-F567 HydrophobicContact CZ2-CZ 3.69Å; P565-F567 VanDerWaalsContact C-N 3.35Å; P565-F567 WeakPolarHBondContact CB-O 3.37Å; P565-F567 WeakPolarHBondContact CG-O 3.43Å; F567-L575 HydrophobicContact CB-CD1 4.1Å; F567-S578 WeakPolarHBondContact CD1-O 3.47Å; F567-I579 HydrophobicContact CB-CG1 3.94Å; F567-I579 HydrophobicContact CD1-CG1 4.43Å; F567-I579 HydrophobicContact CD2-CG1 3.74Å; F567-I579 HydrophobicContact CE2-CG1 4.43Å; F567-I579 HydrophobicContact CG-CG1 3.76Å; F567-V584 HydrophobicContact CE1-CG2 3.78Å; F567-V584 HydrophobicContact CE2-CG2 4.19Å; F567-V584 HydrophobicContact CZ-CG2 3.43Å; F567-V584 VanDerWaalsContact CZ-CG2 3.43Å; F567-L602 HydrophobicContact CE2-CD2 4.48Å
568	D	81.3	Confident	83.7	Confident	122 Å²	122	41.8 Å²	41.8	65%	0.652	22%	0.216	S	C	*	.			trans	-153.3	156.2	-178.5	-174.1	15	0	0	0	108.1	S578	D568-S578 VanDerWaalsContact O-CB 3.26Å; D568-S578 WeakPolarHBondContact O-CB 3.46Å; D568-S578 PolarHBondContact O-OG 3.48Å
569	G	69.5	Low	83.4	Confident	12 Å²	12	41.5 Å²	41.5	12%	0.124	22%	0.215	C	C	.	.			trans	-173.4	143.7	-178.2	0	0	0	0	0	111.9	D571	G569-D571 PolarHBondContact O-N 2.87Å
570	I	57.5	Low	83.2	Confident	72 Å²	72	45.1 Å²	45.1	37%	0.369	23%	0.232	S	C	.	.	S	Bend	trans	-78.2	-7.9	-172.9	77.1	-168	0	0	0	113.9	R161 E574	R161-I570 VanDerWaalsContact NH1-CD1 3.31Å; R161-I570 PolarHBondContact NH1-O 2.91Å; R161-I570 PolarHBondContact NH2-O 3.07Å; I570-E574 VanDerWaalsContact CD1-OE1 3.24Å; I570-E574 WeakPolarHBondContact CD1-OE1 3.48Å; I570-E574 WeakPolarHBondContact CD1-OE2 3.23Å; I570-E574 VanDerWaalsContact CG1-CD 3.48Å; I570-E574 HydrophobicContact CG1-CG 4.38Å; I570-E574 WeakPolarHBondContact CG1-OE2 3.29Å; I570-E574 PolarHBondContact N-OE2 3.46Å
571	D	62	Low	83	Confident	52 Å²	52	51.8 Å²	51.8	28%	0.278	26%	0.264	S	S	.	.	S	Bend	trans	-156.3	177.1	164.8	59.6	55.2	0	0	0	109.1	G569 E573 E574 L575	G569-D571 PolarHBondContact O-N 2.87Å; D571-E573 PolarHBondContact O-N 2.85Å; D571-E573 WeakPolarHBondContact OD1-CB 3.41Å; D571-E573 PolarHBondContact OD1-N 3.43Å; D571-E574 PolarHBondContact O-N 2.92Å; D571-E574 PolarHBondContact OD1-N 2.83Å; D571-L575 WeakPolarHBondContact O-CB 3.11Å; D571-L575 PolarHBondContact O-N 2.86Å
572	E	72.7	Confident	82.8	Confident	61 Å²	61	56.1 Å²	56.1	29%	0.285	28%	0.284	S	S	.	.	H	α-helix	trans	-60	-29.8	-177.6	-64.1	162.1	110.4	0	0	113.4	Y142 F576	Y142-E572 HydrophobicContact CE1-CG 4.27Å; E572-F576 HydrophobicContact CB-CD2 4.48Å; E572-F576 HydrophobicContact CB-CE2 4.11Å; E572-F576 HydrophobicContact CB-CZ 4.39Å; E572-F576 WeakPolarHBondContact O-CB 3.43Å; E572-F576 WeakPolarHBondContact O-CD2 3.28Å; E572-F576 WeakPolarHBondContact O-CG 3.44Å; E572-F576 PolarHBondContact O-N 2.81Å
573	E	72.7	Confident	82.8	Confident	123 Å²	123	60.2 Å²	60.2	58%	0.575	31%	0.312	S	S	*	.	H	α-helix	trans	-75	-38.7	-177.6	-161.2	160.8	-175.6	0	0	110.4	K64 D571 Q577	K64-E573 IonicContact NZ-OE1 2.84Å; K64-E573 PolarHBondContact NZ-OE1 3.01Å; K64-E573 IonicContact NZ-OE2 3.8Å; K64-E573 PolarHBondContact NZ-OE2 3.01Å; D571-E573 PolarHBondContact O-N 2.85Å; D571-E573 WeakPolarHBondContact OD1-CB 3.41Å; D571-E573 PolarHBondContact OD1-N 3.43Å; E573-Q577 WeakPolarHBondContact O-CB 3.49Å; E573-Q577 PolarHBondContact O-N 2.79Å; E573-Q577 VanDerWaalsContact O-N 3.08Å
574	E	79.6	Confident	83.3	Confident	87 Å²	87	60.5 Å²	60.5	41%	0.407	31%	0.311	S	S	.	.	H	α-helix	trans	-70.1	-40.4	169	-75	-167.2	-173.9	0	0	113.1	I570 D571 Q577 S578	I570-E574 VanDerWaalsContact CD1-OE1 3.24Å; I570-E574 WeakPolarHBondContact CD1-OE1 3.48Å; I570-E574 WeakPolarHBondContact CD1-OE2 3.23Å; I570-E574 VanDerWaalsContact CG1-CD 3.48Å; I570-E574 HydrophobicContact CG1-CG 4.38Å; I570-E574 WeakPolarHBondContact CG1-OE2 3.29Å; I570-E574 PolarHBondContact N-OE2 3.46Å; D571-E574 PolarHBondContact O-N 2.92Å; D571-E574 PolarHBondContact OD1-N 2.83Å; E574-Q577 CarbonylContact O-C 3.56Å; E574-Q577 PolarHBondContact O-N 2.9Å; E574-S578 WeakPolarHBondContact O-CB 3.22Å; E574-S578 PolarHBondContact O-N 3.26Å
575	L	82.8	Confident	83.8	Confident	5 Å²	5	59.7 Å²	59.7	3%	0.026	32%	0.317	C	S	.	.	H	α-helix	trans	-63.2	-45.1	178.6	175.1	60.3	0	0	0	111.1	P531 F567 D571 Q577 S578 I579	P531-L575 HydrophobicContact CB-CD2 3.91Å; F567-L575 HydrophobicContact CB-CD1 4.1Å; D571-L575 WeakPolarHBondContact O-CB 3.11Å; D571-L575 PolarHBondContact O-N 2.86Å; L575-Q577 VanDerWaalsContact C-N 3.34Å; L575-Q577 PolarHBondContact O-N 2.76Å; L575-S578 WeakPolarHBondContact O-CB 3.32Å; L575-S578 PolarHBondContact O-N 3.48Å; L575-S578 VanDerWaalsContact O-N 3.16Å; L575-I579 HydrophobicContact CD1-CD1 4.27Å; L575-I579 HydrophobicContact CG-CD1 4.17Å; L575-I579 WeakPolarHBondContact O-CG1 3.17Å; L575-I579 PolarHBondContact O-N 2.99Å
576	F	84.6	Confident	84.1	Confident	39 Å²	39	60.2 Å²	60.2	17%	0.171	31%	0.314	C	S	.	.	H	α-helix	trans	-64.9	-36.2	174.4	-66.6	-19.6	0	0	0	112.1	F527 P531 I534 V539 E572 I579 M580	F527-F576 HydrophobicContact CE1-CZ 4.38Å; F527-F576 AromaticContact CZ-CE2 3.92Å; F527-F576 HydrophobicContact CZ-CE2 3.92Å; F527-F576 AromaticContact CZ-CZ 3.89Å; F527-F576 HydrophobicContact CZ-CZ 3.89Å; P531-F576 HydrophobicContact CB-CE1 4.1Å; P531-F576 HydrophobicContact CB-CZ 4.43Å; I534-F576 HydrophobicContact CD1-CE1 4.28Å; I534-F576 HydrophobicContact CD1-CZ 4.4Å; V539-F576 HydrophobicContact CG1-CB 3.73Å; V539-F576 HydrophobicContact CG1-CG 4.15Å; V539-F576 HydrophobicContact CG2-CB 4.46Å; V539-F576 HydrophobicContact CG2-CD1 3.99Å; V539-F576 HydrophobicContact CG2-CG 4.27Å; E572-F576 HydrophobicContact CB-CD2 4.48Å; E572-F576 HydrophobicContact CB-CE2 4.11Å; E572-F576 HydrophobicContact CB-CZ 4.39Å; E572-F576 WeakPolarHBondContact O-CB 3.43Å; E572-F576 WeakPolarHBondContact O-CD2 3.28Å; E572-F576 WeakPolarHBondContact O-CG 3.44Å; E572-F576 PolarHBondContact O-N 2.81Å; F576-I579 HydrophobicContact CD1-CD1 4.31Å; F576-M580 WeakPolarHBondContact O-CB 3.34Å; F576-M580 VanDerWaalsContact O-CG 3.24Å; F576-M580 WeakPolarHBondContact O-CG 3.2Å; F576-M580 PolarHBondContact O-N 2.87Å
577	Q	85.4	Confident	84.2	Confident	104 Å²	104	61.4 Å²	61.4	49%	0.486	32%	0.322	S	S	.	.	H	α-helix	trans	-64.1	-40.1	170.5	-171.9	175.6	-3.1	0	0	111.7	E573 E574 L575 M580 E581	E573-Q577 WeakPolarHBondContact O-CB 3.49Å; E573-Q577 PolarHBondContact O-N 2.79Å; E573-Q577 VanDerWaalsContact O-N 3.08Å; E574-Q577 CarbonylContact O-C 3.56Å; E574-Q577 PolarHBondContact O-N 2.9Å; L575-Q577 VanDerWaalsContact C-N 3.34Å; L575-Q577 PolarHBondContact O-N 2.76Å; Q577-M580 PolarHBondContact O-N 2.92Å; Q577-E581 HydrophobicContact CG-CG 4.15Å; Q577-E581 WeakPolarHBondContact CG-OE2 3.12Å; Q577-E581 PolarHBondContact NE2-OE2 3.44Å; Q577-E581 WeakPolarHBondContact O-CB 3.31Å; Q577-E581 PolarHBondContact O-N 2.9Å
578	S	89.7	Confident	84.2	Confident	9 Å²	9	71.8 Å²	71.8	6%	0.063	37%	0.367	C	S	.	.	H	α-helix	trans	-61.4	-49.6	176	-163.5	0	0	0	0	111.5	F567 D568 E574 L575 M580 E581 Q582 K604	F567-S578 WeakPolarHBondContact CD1-O 3.47Å; D568-S578 VanDerWaalsContact O-CB 3.26Å; D568-S578 WeakPolarHBondContact O-CB 3.46Å; D568-S578 PolarHBondContact O-OG 3.48Å; E574-S578 WeakPolarHBondContact O-CB 3.22Å; E574-S578 PolarHBondContact O-N 3.26Å; L575-S578 WeakPolarHBondContact O-CB 3.32Å; L575-S578 PolarHBondContact O-N 3.48Å; L575-S578 VanDerWaalsContact O-N 3.16Å; S578-M580 VanDerWaalsContact C-N 3.27Å; S578-M580 PolarHBondContact O-N 3.08Å; S578-E581 PolarHBondContact O-N 3.49Å; S578-Q582 VanDerWaalsContact O-CB 3.27Å; S578-Q582 WeakPolarHBondContact O-CB 3.26Å; S578-Q582 PolarHBondContact O-N 3.12Å; S578-Q582 PolarHBondContact OG-OE1 2.91Å; S578-K604 PolarHBondContact O-NZ 2.89Å
579	I	91.9	Very high	84.7	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-54.4	-41.9	173.4	-73.6	166	0	0	0	111.4	P536 V539 W551 F567 L575 F576 K604	P536-I579 HydrophobicContact CB-CG2 4.42Å; P536-I579 HydrophobicContact CG-CG2 3.87Å; V539-I579 HydrophobicContact CG2-CG2 4.13Å; W551-I579 HydrophobicContact CZ2-CG2 3.99Å; F567-I579 HydrophobicContact CB-CG1 3.94Å; F567-I579 HydrophobicContact CD1-CG1 4.43Å; F567-I579 HydrophobicContact CD2-CG1 3.74Å; F567-I579 HydrophobicContact CE2-CG1 4.43Å; F567-I579 HydrophobicContact CG-CG1 3.76Å; L575-I579 HydrophobicContact CD1-CD1 4.27Å; L575-I579 HydrophobicContact CG-CD1 4.17Å; L575-I579 WeakPolarHBondContact O-CG1 3.17Å; L575-I579 PolarHBondContact O-N 2.99Å; F576-I579 HydrophobicContact CD1-CD1 4.31Å; I579-K604 WeakPolarHBondContact O-CD 3.33Å; I579-K604 VanDerWaalsContact O-CE 3.23Å; I579-K604 WeakPolarHBondContact O-CE 3.46Å; I579-K604 PolarHBondContact O-NZ 2.8Å
580	M	91.6	Very high	85.9	Confident	79 Å²	79	71.3 Å²	71.3	39%	0.389	36%	0.361	S	S	.	.	H	α-helix	trans	-76.8	-42.3	-179.7	-71	-63.3	-69.4	0	0	113.9	P536 V539 A540 F576 Q577 S578 K604	P536-M580 HydrophobicContact CB-SD 3.72Å; P536-M580 VanDerWaalsContact O-SD 3.38Å; V539-M580 HydrophobicContact CB-CG 4.25Å; V539-M580 HydrophobicContact CB-SD 4.1Å; V539-M580 HydrophobicContact CG1-CG 3.66Å; V539-M580 HydrophobicContact CG1-SD 4.1Å; A540-M580 HydrophobicContact CB-CE 3.98Å; A540-M580 HydrophobicContact CB-SD 4.47Å; F576-M580 WeakPolarHBondContact O-CB 3.34Å; F576-M580 VanDerWaalsContact O-CG 3.24Å; F576-M580 WeakPolarHBondContact O-CG 3.2Å; F576-M580 PolarHBondContact O-N 2.87Å; Q577-M580 PolarHBondContact O-N 2.92Å; S578-M580 VanDerWaalsContact C-N 3.27Å; S578-M580 PolarHBondContact O-N 3.08Å; M580-K604 VanDerWaalsContact O-CD 3.28Å; M580-K604 WeakPolarHBondContact O-CD 3.42Å; M580-K604 PolarHBondContact O-NZ 2.97Å
581	E	91.8	Very high	87.8	Confident	140 Å²	140	69.2 Å²	69.2	65%	0.654	35%	0.353	S	S	*	.	H	α-helix	trans	-109.1	-43.7	-167.3	-59.5	-172.1	161.9	0	0	114	Q577 S578 K604	Q577-E581 HydrophobicContact CG-CG 4.15Å; Q577-E581 WeakPolarHBondContact CG-OE2 3.12Å; Q577-E581 PolarHBondContact NE2-OE2 3.44Å; Q577-E581 WeakPolarHBondContact O-CB 3.31Å; Q577-E581 PolarHBondContact O-N 2.9Å; S578-E581 PolarHBondContact O-N 3.49Å; E581-K604 VanDerWaalsContact C-NZ 3.27Å; E581-K604 VanDerWaalsContact N-NZ 3.19Å
582	Q	92.7	Very high	89.6	Confident	96 Å²	96	77.3 Å²	77.3	45%	0.449	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-68.2	141.6	-172.5	-173.2	167.5	-64	0	0	112.8	S578 K604	S578-Q582 VanDerWaalsContact O-CB 3.27Å; S578-Q582 WeakPolarHBondContact O-CB 3.26Å; S578-Q582 PolarHBondContact O-N 3.12Å; S578-Q582 PolarHBondContact OG-OE1 2.91Å; Q582-K604 VanDerWaalsContact O-CE 3.26Å; Q582-K604 WeakPolarHBondContact O-CE 3.1Å; Q582-K604 PolarHBondContact O-NZ 3.37Å
583	S	93.5	Very high	90.8	Very high	100 Å²	100	76.5 Å²	76.5	70%	0.699	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-87.1	128.9	169.2	60.6	0	0	0	0	110.9	S585	S583-S585 PolarHBondContact O-N 3.4Å
584	V	95.1	Very high	92	Very high	19 Å²	19	70.7 Å²	70.7	12%	0.115	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-54.4	129	178	-176.6	0	0	0	0	110.9	Y558 P566 F567 Y586 L602	Y558-V584 HydrophobicContact CD2-CG1 4.02Å; Y558-V584 HydrophobicContact CE2-CG1 3.75Å; P566-V584 HydrophobicContact CB-CG1 3.82Å; P566-V584 HydrophobicContact CB-CG2 4.17Å; F567-V584 HydrophobicContact CE1-CG2 3.78Å; F567-V584 HydrophobicContact CE2-CG2 4.19Å; F567-V584 HydrophobicContact CZ-CG2 3.43Å; F567-V584 VanDerWaalsContact CZ-CG2 3.43Å; V584-Y586 HydrophobicContact CB-CE2 3.75Å; V584-Y586 HydrophobicContact CG1-CD2 4.44Å; V584-Y586 HydrophobicContact CG1-CE1 4.02Å; V584-Y586 HydrophobicContact CG1-CE2 3.8Å; V584-Y586 VanDerWaalsContact O-CD2 3.26Å; V584-Y586 WeakPolarHBondContact O-CD2 3.42Å; V584-Y586 WeakPolarHBondContact O-CE2 3.44Å; V584-L602 HydrophobicContact CG1-CD1 4.17Å; V584-L602 HydrophobicContact CG2-CB 4.19Å; V584-L602 HydrophobicContact CG2-CD1 3.9Å
585	S	95.1	Very high	92.9	Very high	88 Å²	88	67.7 Å²	67.7	62%	0.615	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-85.2	137.7	174.3	-171.7	0	0	0	0	109.9	Y558 S583	Y558-S585 VanDerWaalsContact CE2-O 3.31Å; Y558-S585 WeakPolarHBondContact CE2-O 3.19Å; Y558-S585 PolarHBondContact OH-O 3.36Å; S583-S585 PolarHBondContact O-N 3.4Å
586	Y	95.3	Very high	93.6	Very high	47 Å²	47	69.6 Å²	69.6	18%	0.184	35%	0.353	C	S	.	.			trans	-116.5	115.8	-176.7	-69.2	-83.3	0	0	0	110.8	Y558 V584 K588 L590 V595 C598 K599	Y558-Y586 HydrophobicContact CD2-CD1 4.45Å; Y558-Y586 HydrophobicContact CD2-CE1 4.17Å; Y558-Y586 HydrophobicContact CE2-CD1 4.29Å; Y558-Y586 HydrophobicContact CE2-CE1 4.35Å; V584-Y586 HydrophobicContact CB-CE2 3.75Å; V584-Y586 HydrophobicContact CG1-CD2 4.44Å; V584-Y586 HydrophobicContact CG1-CE1 4.02Å; V584-Y586 HydrophobicContact CG1-CE2 3.8Å; V584-Y586 VanDerWaalsContact O-CD2 3.26Å; V584-Y586 WeakPolarHBondContact O-CD2 3.42Å; V584-Y586 WeakPolarHBondContact O-CE2 3.44Å; Y586-K588 PolarHBondContact O-N 2.93Å; Y586-L590 HydrophobicContact CD1-CD1 4.36Å; Y586-V595 HydrophobicContact CD1-CB 4.31Å; Y586-V595 HydrophobicContact CD1-CG1 3.96Å; Y586-V595 HydrophobicContact CD1-CG2 3.97Å; Y586-V595 HydrophobicContact CD2-CG1 4.35Å; Y586-V595 HydrophobicContact CE1-CG1 4.45Å; Y586-V595 HydrophobicContact CG-CG1 3.91Å; Y586-V595 HydrophobicContact CG-CG2 4.23Å; Y586-C598 HydrophobicContact CE1-CB 3.72Å; Y586-K599 HydrophobicContact CE1-CG 4.37Å; Y586-K599 HydrophobicContact CE2-CD 4.28Å; Y586-K599 VanDerWaalsContact CE2-CE 3.48Å; Y586-K599 HydrophobicContact CE2-CG 3.74Å; Y586-K599 WeakPolarHBondContact OH-CG 3.33Å
587	P	92.3	Very high	94.3	Very high	31 Å²	31	67.7 Å²	67.7	20%	0.201	35%	0.345	C	S	.	.			trans	-56.1	135.9	176.6	-27.6	35	0	0	0	112.8	A562 N589 L590	A562-P587 HydrophobicContact CB-CG 4.38Å; P587-N589 VanDerWaalsContact CB-OD1 3.29Å; P587-N589 WeakPolarHBondContact CB-OD1 3.43Å; P587-N589 PolarHBondContact O-N 3.12Å; P587-L590 HydrophobicContact CB-CG 4.39Å; P587-L590 PolarHBondContact O-N 3.24Å; P587-L590 VanDerWaalsContact O-N 3.09Å
588	K	91.9	Very high	94.9	Very high	221 Å²	221	62.8 Å²	62.8	96%	0.961	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-10.2	-176.5	-62.6	-175.6	-178.4	178.3	0	114.8	Y586	Y586-K588 PolarHBondContact O-N 2.93Å
589	N	90.8	Very high	95.4	Very high	101 Å²	101	67.5 Å²	67.5	54%	0.54	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-0.5	178.8	70.2	-96.7	0	0	0	114	K463 P587	K463-N589 PolarHBondContact NZ-ND2 3.07Å; P587-N589 VanDerWaalsContact CB-OD1 3.29Å; P587-N589 WeakPolarHBondContact CB-OD1 3.43Å; P587-N589 PolarHBondContact O-N 3.12Å
590	L	95.3	Very high	95.7	Very high	23 Å²	23	68.4 Å²	68.4	12%	0.12	35%	0.35	C	S	.	.	S	Bend	trans	-83	147	175.2	-62.8	-176.2	0	0	0	110.5	L561 Y586 P587 A594 V595	L561-L590 HydrophobicContact CB-CD2 3.91Å; L561-L590 WeakPolarHBondContact O-CD2 3.32Å; Y586-L590 HydrophobicContact CD1-CD1 4.36Å; P587-L590 HydrophobicContact CB-CG 4.39Å; P587-L590 PolarHBondContact O-N 3.24Å; P587-L590 VanDerWaalsContact O-N 3.09Å; L590-A594 HydrophobicContact CB-CB 4.32Å; L590-V595 HydrophobicContact CB-CG2 3.69Å; L590-V595 HydrophobicContact CD1-CG2 4.18Å
591	S	97.9	Very high	96	Very high	28 Å²	28	64.7 Å²	64.7	20%	0.196	33%	0.332	C	S	.	.			trans	-65.9	167.5	172.9	76.5	0	0	0	0	112.2	E466 E593 A594 V595	E466-S591 WeakPolarHBondContact OE1-CB 3.36Å; E466-S591 PolarHBondContact OE1-OG 3.16Å; E466-S591 VanDerWaalsContact OE2-CB 3.25Å; E466-S591 WeakPolarHBondContact OE2-CB 3.03Å; E466-S591 PolarHBondContact OE2-N 3.18Å; E466-S591 PolarHBondContact OE2-OG 3.38Å; E466-S591 VanDerWaalsContact OE2-OG 3.1Å; S591-E593 PolarHBondContact O-N 3.31Å; S591-E593 PolarHBondContact OG-N 3.07Å; S591-A594 VanDerWaalsContact OG-CB 3.31Å; S591-A594 WeakPolarHBondContact OG-CB 3.25Å; S591-A594 PolarHBondContact OG-N 2.86Å; S591-V595 WeakPolarHBondContact O-CG2 3.44Å; S591-V595 PolarHBondContact O-N 3.27Å; S591-V595 VanDerWaalsContact O-N 3.09Å
592	R	98.1	Very high	96.3	Very high	222 Å²	222	58.5 Å²	58.5	84%	0.838	30%	0.303	S	S	*	.	H	α-helix	trans	-66.2	-34.1	175.6	-64.1	-179.3	177.6	-174.6	-1.2	110.5	A596	R592-A596 VanDerWaalsContact O-CB 3.23Å; R592-A596 WeakPolarHBondContact O-CB 3.3Å; R592-A596 PolarHBondContact O-N 2.88Å
593	E	98.1	Very high	96.6	Very high	45 Å²	45	56.1 Å²	56.1	21%	0.21	30%	0.295	C	S	.	.	H	α-helix	trans	-71.6	-42.5	-178.8	-60	89.9	142.9	0	0	111.4	S591 A596 I597 P624 F625 R627	S591-E593 PolarHBondContact O-N 3.31Å; S591-E593 PolarHBondContact OG-N 3.07Å; E593-A596 PolarHBondContact O-N 3.34Å; E593-I597 PolarHBondContact O-N 2.88Å; E593-P624 HydrophobicContact CG-CB 4.28Å; E593-F625 HydrophobicContact CB-CB 4.46Å; E593-R627 IonicContact OE1-CZ 2.76Å; E593-R627 IonicContact OE1-NH1 3.51Å; E593-R627 PolarHBondContact OE1-NH1 2.88Å; E593-R627 IonicContact OE1-NH2 3.38Å; E593-R627 PolarHBondContact OE1-NH2 3.36Å
594	A	98.3	Very high	96.8	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.3	-46.1	171.6	0	0	0	0	0	111.9	L561 L590 S591 A596 I597 C598 F625	L561-A594 HydrophobicContact CD1-CB 4.1Å; L590-A594 HydrophobicContact CB-CB 4.32Å; S591-A594 VanDerWaalsContact OG-CB 3.31Å; S591-A594 WeakPolarHBondContact OG-CB 3.25Å; S591-A594 PolarHBondContact OG-N 2.86Å; A594-A596 VanDerWaalsContact C-N 3.3Å; A594-A596 PolarHBondContact O-N 3.2Å; A594-I597 WeakPolarHBondContact O-CG2 3.35Å; A594-C598 PolarHBondContact O-N 3.03Å; A594-F625 HydrophobicContact CB-CD2 4.16Å; A594-F625 HydrophobicContact CB-CE2 3.89Å
595	V	98.6	Very high	96.9	Very high	25 Å²	25	58.5 Å²	58.5	15%	0.152	29%	0.293	C	S	.	.	H	α-helix	trans	-67.6	-31.3	175.9	174.4	0	0	0	0	111.8	Y586 L590 S591 K599	Y586-V595 HydrophobicContact CD1-CB 4.31Å; Y586-V595 HydrophobicContact CD1-CG1 3.96Å; Y586-V595 HydrophobicContact CD1-CG2 3.97Å; Y586-V595 HydrophobicContact CD2-CG1 4.35Å; Y586-V595 HydrophobicContact CE1-CG1 4.45Å; Y586-V595 HydrophobicContact CG-CG1 3.91Å; Y586-V595 HydrophobicContact CG-CG2 4.23Å; L590-V595 HydrophobicContact CB-CG2 3.69Å; L590-V595 HydrophobicContact CD1-CG2 4.18Å; S591-V595 WeakPolarHBondContact O-CG2 3.44Å; S591-V595 PolarHBondContact O-N 3.27Å; S591-V595 VanDerWaalsContact O-N 3.09Å; V595-K599 HydrophobicContact CG1-CD 3.94Å; V595-K599 HydrophobicContact CG1-CG 4.5Å; V595-K599 WeakPolarHBondContact O-CB 2.98Å; V595-K599 WeakPolarHBondContact O-CD 3.32Å; V595-K599 WeakPolarHBondContact O-CG 3.03Å; V595-K599 PolarHBondContact O-N 3.35Å
596	A	98.6	Very high	96.9	Very high	44 Å²	44	55.8 Å²	55.8	36%	0.364	27%	0.273	S	S	.	.	H	α-helix	trans	-68.1	-48.7	176.4	0	0	0	0	0	112	R592 E593 A594 K599 G600	R592-A596 VanDerWaalsContact O-CB 3.23Å; R592-A596 WeakPolarHBondContact O-CB 3.3Å; R592-A596 PolarHBondContact O-N 2.88Å; E593-A596 PolarHBondContact O-N 3.34Å; A594-A596 VanDerWaalsContact C-N 3.3Å; A594-A596 PolarHBondContact O-N 3.2Å; A596-K599 PolarHBondContact O-N 2.83Å; A596-G600 PolarHBondContact O-N 2.79Å
597	I	98.6	Very high	96.8	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-65.5	-46.4	-177.7	-163.9	161.2	0	0	0	111.7	M557 E593 A594 K599 G600 L601 L610 H623 F625 F626	M557-I597 HydrophobicContact CE-CD1 4.03Å; M557-I597 HydrophobicContact CE-CG1 4.43Å; M557-I597 HydrophobicContact CE-CG2 3.74Å; M557-I597 HydrophobicContact SD-CD1 4.14Å; M557-I597 HydrophobicContact SD-CG1 4.38Å; M557-I597 HydrophobicContact SD-CG2 4.5Å; E593-I597 PolarHBondContact O-N 2.88Å; A594-I597 WeakPolarHBondContact O-CG2 3.35Å; I597-K599 VanDerWaalsContact C-N 3.27Å; I597-K599 PolarHBondContact O-N 3.25Å; I597-G600 PolarHBondContact O-N 3.04Å; I597-G600 VanDerWaalsContact O-N 3.09Å; I597-L601 HydrophobicContact CD1-CD1 4.49Å; I597-L601 HydrophobicContact CG1-CD1 3.82Å; I597-L601 HydrophobicContact CG1-CG 4.31Å; I597-L601 WeakPolarHBondContact O-CG 3.38Å; I597-L601 PolarHBondContact O-N 2.85Å; I597-L610 HydrophobicContact CG1-CD2 3.92Å; I597-H623 VanDerWaalsContact CB-CE1 3.48Å; I597-H623 WeakPolarHBondContact CB-CE1 3.5Å; I597-H623 HydrophobicContact CD1-CB 4.39Å; I597-H623 PolarHBondContact N-CE1 2.88Å; I597-F625 HydrophobicContact CB-CB 4.24Å; I597-F625 HydrophobicContact CB-CG 4.48Å; I597-F625 HydrophobicContact CD1-CB 4.19Å; I597-F625 HydrophobicContact CD1-CD1 4.08Å; I597-F625 HydrophobicContact CD1-CG 4.41Å; I597-F625 HydrophobicContact CG2-CB 4.13Å; I597-F625 HydrophobicContact CG2-CD1 4.13Å; I597-F625 HydrophobicContact CG2-CD2 4.07Å; I597-F625 HydrophobicContact CG2-CG 3.86Å; I597-F626 HydrophobicContact CD1-CD2 4.03Å; I597-F626 HydrophobicContact CD1-CE2 3.31Å; I597-F626 HydrophobicContact CD1-CZ 3.91Å
598	C	98.6	Very high	97	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-61.5	-34.5	176.8	-69.5	0	0	0	0	112.1	Y586 A594 L602	Y586-C598 HydrophobicContact CE1-CB 3.72Å; A594-C598 PolarHBondContact O-N 3.03Å; C598-L602 WeakPolarHBondContact O-CA 3.4Å; C598-L602 WeakPolarHBondContact O-CB 3.09Å; C598-L602 VanDerWaalsContact O-CG 3.32Å; C598-L602 WeakPolarHBondContact O-CG 3.33Å; C598-L602 PolarHBondContact O-N 2.65Å
599	K	98.4	Very high	97.2	Very high	109 Å²	109	53.6 Å²	53.6	47%	0.474	28%	0.276	S	S	.	.	H	α-helix	trans	-69	-36.6	173.4	-78.4	175.6	179.6	175.3	0	113.4	Y586 V595 A596 I597 T603	Y586-K599 HydrophobicContact CE1-CG 4.37Å; Y586-K599 HydrophobicContact CE2-CD 4.28Å; Y586-K599 VanDerWaalsContact CE2-CE 3.48Å; Y586-K599 HydrophobicContact CE2-CG 3.74Å; Y586-K599 WeakPolarHBondContact OH-CG 3.33Å; V595-K599 HydrophobicContact CG1-CD 3.94Å; V595-K599 HydrophobicContact CG1-CG 4.5Å; V595-K599 WeakPolarHBondContact O-CB 2.98Å; V595-K599 WeakPolarHBondContact O-CD 3.32Å; V595-K599 WeakPolarHBondContact O-CG 3.03Å; V595-K599 PolarHBondContact O-N 3.35Å; A596-K599 PolarHBondContact O-N 2.83Å; I597-K599 VanDerWaalsContact C-N 3.27Å; I597-K599 PolarHBondContact O-N 3.25Å; K599-T603 PolarHBondContact O-N 3.1Å; K599-T603 PolarHBondContact O-OG1 2.87Å
600	G	98.3	Very high	97.5	Very high	19 Å²	19	50 Å²	50	20%	0.196	26%	0.257	C	S	.	.	H	α-helix	trans	-63	-47.2	174.6	0	0	0	0	0	111.9	A596 I597 T603 R609 L610	A596-G600 PolarHBondContact O-N 2.79Å; I597-G600 PolarHBondContact O-N 3.04Å; I597-G600 VanDerWaalsContact O-N 3.09Å; G600-T603 WeakPolarHBondContact O-CB 3.26Å; G600-R609 WeakPolarHBondContact O-CA 3.37Å; G600-R609 WeakPolarHBondContact O-CG 3.42Å; G600-L610 PolarHBondContact O-N 3.29Å
601	L	98.6	Very high	97.3	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-75.2	-41.1	-178.1	-61.9	168.6	0	0	0	112.7	W550 Y553 M557 I597 T603 R609 L610 I620	W550-L601 HydrophobicContact CB-CD2 4.27Å; Y553-L601 HydrophobicContact CD1-CD1 3.55Å; Y553-L601 HydrophobicContact CD1-CD2 3.99Å; Y553-L601 HydrophobicContact CD1-CG 4.41Å; Y553-L601 HydrophobicContact CE1-CD1 3.77Å; Y553-L601 HydrophobicContact CE1-CD2 4.45Å; M557-L601 HydrophobicContact SD-CD1 3.63Å; I597-L601 HydrophobicContact CD1-CD1 4.49Å; I597-L601 HydrophobicContact CG1-CD1 3.82Å; I597-L601 HydrophobicContact CG1-CG 4.31Å; I597-L601 WeakPolarHBondContact O-CG 3.38Å; I597-L601 PolarHBondContact O-N 2.85Å; L601-T603 PolarHBondContact O-N 2.81Å; L601-T603 VanDerWaalsContact O-N 3.17Å; L601-R609 WeakPolarHBondContact O-CD 3.38Å; L601-R609 WeakPolarHBondContact O-CG 3.39Å; L601-R609 PolarHBondContact O-NE 2.91Å; L601-L610 HydrophobicContact CD2-CB 4.12Å; L601-L610 HydrophobicContact CD2-CD2 4.17Å; L601-L610 HydrophobicContact CD2-CG 4.25Å; L601-L610 HydrophobicContact CG-CB 4.5Å; L601-L610 HydrophobicContact CG-CD2 4.23Å; L601-I620 HydrophobicContact CD2-CD1 4.49Å
602	L	98.6	Very high	96.8	Very high	11 Å²	11	48.4 Å²	48.4	6%	0.058	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	26	176.3	-57.4	174	0	0	0	112.7	W551 V555 P566 F567 V584 C598	W551-L602 HydrophobicContact CD2-CD2 4.12Å; W551-L602 HydrophobicContact CE3-CD2 4.2Å; W551-L602 HydrophobicContact CH2-CD2 4.44Å; W551-L602 HydrophobicContact CZ2-CD2 4.34Å; W551-L602 VanDerWaalsContact CZ3-C 3.47Å; W551-L602 HydrophobicContact CZ3-CB 4.24Å; W551-L602 HydrophobicContact CZ3-CD2 4.37Å; W551-L602 WeakPolarHBondContact CZ3-O 3.35Å; V555-L602 HydrophobicContact CG2-CD2 3.66Å; P566-L602 HydrophobicContact CB-CD1 3.94Å; P566-L602 HydrophobicContact CG-CD1 4.23Å; F567-L602 HydrophobicContact CE2-CD2 4.48Å; V584-L602 HydrophobicContact CG1-CD1 4.17Å; V584-L602 HydrophobicContact CG2-CB 4.19Å; V584-L602 HydrophobicContact CG2-CD1 3.9Å; C598-L602 WeakPolarHBondContact O-CA 3.4Å; C598-L602 WeakPolarHBondContact O-CB 3.09Å; C598-L602 VanDerWaalsContact O-CG 3.32Å; C598-L602 WeakPolarHBondContact O-CG 3.33Å; C598-L602 PolarHBondContact O-N 2.65Å
603	T	98.4	Very high	96.2	Very high	46 Å²	46	39.3 Å²	39.3	28%	0.282	23%	0.226	S	C	.	.			trans	-78	120.2	168.2	-77.8	0	0	0	0	109.7	K599 G600 L601 H605 K608 R609	K599-T603 PolarHBondContact O-N 3.1Å; K599-T603 PolarHBondContact O-OG1 2.87Å; G600-T603 WeakPolarHBondContact O-CB 3.26Å; L601-T603 PolarHBondContact O-N 2.81Å; L601-T603 VanDerWaalsContact O-N 3.17Å; T603-H605 VanDerWaalsContact C-N 3.33Å; T603-H605 PolarHBondContact O-N 2.89Å; T603-K608 HydrophobicContact CG2-CB 4.03Å; T603-K608 WeakPolarHBondContact CG2-O 3.18Å; T603-R609 PolarHBondContact O-NE 2.83Å; T603-R609 PolarHBondContact O-NH2 2.78Å
604	K	97.6	Very high	95.6	Very high	60 Å²	60	45.9 Å²	45.9	26%	0.261	26%	0.257	S	S	.	.	S	Bend	trans	-66.8	-28.4	-168.7	-55.3	-165	-176.2	-159.8	0	114.7	P536 W551 S578 I579 M580 E581 Q582 P606 R609	P536-K604 HydrophobicContact CB-CB 4.37Å; P536-K604 HydrophobicContact CG-CB 4.06Å; P536-K604 HydrophobicContact CG-CG 4.25Å; W551-K604 HydrophobicContact CH2-CG 4.13Å; W551-K604 HydrophobicContact CZ3-CG 4.07Å; S578-K604 PolarHBondContact O-NZ 2.89Å; I579-K604 WeakPolarHBondContact O-CD 3.33Å; I579-K604 VanDerWaalsContact O-CE 3.23Å; I579-K604 WeakPolarHBondContact O-CE 3.46Å; I579-K604 PolarHBondContact O-NZ 2.8Å; M580-K604 VanDerWaalsContact O-CD 3.28Å; M580-K604 WeakPolarHBondContact O-CD 3.42Å; M580-K604 PolarHBondContact O-NZ 2.97Å; E581-K604 VanDerWaalsContact C-NZ 3.27Å; E581-K604 VanDerWaalsContact N-NZ 3.19Å; Q582-K604 VanDerWaalsContact O-CE 3.26Å; Q582-K604 WeakPolarHBondContact O-CE 3.1Å; Q582-K604 PolarHBondContact O-NZ 3.37Å; K604-P606 WeakPolarHBondContact O-CD 3.1Å; K604-R609 PolarHBondContact O-NH2 3.45Å
605	H	96.6	Very high	95.2	Very high	109 Å²	109	50.7 Å²	50.7	51%	0.505	28%	0.279	S	S	.	.	S	Bend	trans	-89.7	111.7	178.7	-173.1	-70.1	0	0	0	110.2	T603 A607 K608 R609	T603-H605 VanDerWaalsContact C-N 3.33Å; T603-H605 PolarHBondContact O-N 2.89Å; H605-A607 PolarHBondContact O-N 3.23Å; H605-K608 PolarHBondContact O-N 2.89Å; H605-R609 PolarHBondContact O-N 3.19Å
606	P	96.1	Very high	94.8	Very high	31 Å²	31	49.6 Å²	49.6	20%	0.201	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-56.7	-43.6	-168.9	15.8	-29.2	0	0	0	114.2	E537 A547 K604 K608 R609	E537-P606 HydrophobicContact CB-CG 4.36Å; E537-P606 HydrophobicContact CG-CG 4.36Å; E537-P606 WeakPolarHBondContact OE1-CB 3.4Å; A547-P606 HydrophobicContact CB-CB 3.77Å; K604-P606 WeakPolarHBondContact O-CD 3.1Å; P606-K608 PolarHBondContact O-N 2.93Å; P606-R609 VanDerWaalsContact O-CB 3.22Å; P606-R609 WeakPolarHBondContact O-CB 3.41Å; P606-R609 PolarHBondContact O-N 2.58Å
607	A	93	Very high	94.6	Very high	81 Å²	81	51.6 Å²	51.6	67%	0.669	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-71.2	9.2	177.7	0	0	0	0	0	115.2	H605	H605-A607 PolarHBondContact O-N 3.23Å
608	K	95.6	Very high	94.5	Very high	165 Å²	165	56.9 Å²	56.9	72%	0.717	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-126.9	3.7	170	-65.2	-176.2	177.6	-179.7	0	112.3	T603 H605 P606	T603-K608 HydrophobicContact CG2-CB 4.03Å; T603-K608 WeakPolarHBondContact CG2-O 3.18Å; H605-K608 PolarHBondContact O-N 2.89Å; P606-K608 PolarHBondContact O-N 2.93Å
609	R	97.9	Very high	94.4	Very high	6 Å²	6	60.4 Å²	60.4	2%	0.023	31%	0.311	C	S	.	.	S	Bend	trans	-80.8	142.2	179.3	-166.7	178.1	-64.7	145.9	5.7	109.2	E537 A547 G600 L601 T603 K604 H605 P606 G611 G612	E537-R609 IonicContact OE1-CZ 3.65Å; E537-R609 IonicContact OE1-NH1 2.96Å; E537-R609 PolarHBondContact OE1-NH1 3.08Å; E537-R609 IonicContact OE1-NH2 3.84Å; E537-R609 PolarHBondContact OE1-NH2 3.04Å; E537-R609 IonicContact OE2-CZ 3.51Å; E537-R609 IonicContact OE2-NH1 4Å; E537-R609 IonicContact OE2-NH2 2.67Å; E537-R609 PolarHBondContact OE2-NH2 2.91Å; A547-R609 PolarHBondContact O-NH1 2.99Å; G600-R609 WeakPolarHBondContact O-CA 3.37Å; G600-R609 WeakPolarHBondContact O-CG 3.42Å; L601-R609 WeakPolarHBondContact O-CD 3.38Å; L601-R609 WeakPolarHBondContact O-CG 3.39Å; L601-R609 PolarHBondContact O-NE 2.91Å; T603-R609 PolarHBondContact O-NE 2.83Å; T603-R609 PolarHBondContact O-NH2 2.78Å; K604-R609 PolarHBondContact O-NH2 3.45Å; H605-R609 PolarHBondContact O-N 3.19Å; P606-R609 VanDerWaalsContact O-CB 3.22Å; P606-R609 WeakPolarHBondContact O-CB 3.41Å; P606-R609 PolarHBondContact O-N 2.58Å; R609-G611 PolarHBondContact O-N 3.34Å; R609-G612 WeakPolarHBondContact O-CA 3.3Å; R609-G612 PolarHBondContact O-N 2.89Å
610	L	97.3	Very high	94.4	Very high	27 Å²	27	55.2 Å²	55.2	14%	0.141	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	129	168.5	-178.6	65.5	0	0	0	108.7	I597 G600 L601 G612 E619 I620	I597-L610 HydrophobicContact CG1-CD2 3.92Å; G600-L610 PolarHBondContact O-N 3.29Å; L601-L610 HydrophobicContact CD2-CB 4.12Å; L601-L610 HydrophobicContact CD2-CD2 4.17Å; L601-L610 HydrophobicContact CD2-CG 4.25Å; L601-L610 HydrophobicContact CG-CB 4.5Å; L601-L610 HydrophobicContact CG-CD2 4.23Å; L610-G612 VanDerWaalsContact C-N 3.27Å; L610-G612 PolarHBondContact O-N 2.8Å; L610-E619 HydrophobicContact CD1-CB 3.75Å; L610-I620 HydrophobicContact CD1-CG1 4.41Å; L610-I620 HydrophobicContact CD2-CG1 4.32Å; L610-I620 HydrophobicContact CG-CG1 3.95Å
611	G	89.9	Confident	94.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	81	-1.5	-173.5	0	0	0	0	0	115.4	W550 R609 G613 A616 E619	W550-G611 PolarHBondContact NE1-O 3.21Å; R609-G611 PolarHBondContact O-N 3.34Å; G611-G613 VanDerWaalsContact C-N 3.3Å; G611-G613 PolarHBondContact O-N 2.76Å; G611-A616 WeakPolarHBondContact O-CB 3.22Å; G611-E619 PolarHBondContact N-OE2 2.67Å
612	G	86.6	Confident	94.4	Very high	16 Å²	16	62.2 Å²	62.2	17%	0.165	32%	0.315	C	S	.	.			trans	-76.1	-12.6	177.8	0	0	0	0	0	114.8	R609 L610	R609-G612 WeakPolarHBondContact O-CA 3.3Å; R609-G612 PolarHBondContact O-N 2.89Å; L610-G612 VanDerWaalsContact C-N 3.27Å; L610-G612 PolarHBondContact O-N 2.8Å
613	G	86.3	Confident	94.4	Very high	32 Å²	32	63.1 Å²	63.1	33%	0.33	32%	0.319	S	S	.	.	S	Bend	trans	-95.8	-169.9	-177.5	0	0	0	0	0	115.3	K546 G611 A616	K546-G613 WeakPolarHBondContact CE-O 3.3Å; K546-G613 PolarHBondContact NZ-O 3.25Å; G611-G613 VanDerWaalsContact C-N 3.3Å; G611-G613 PolarHBondContact O-N 2.76Å; G613-A616 WeakPolarHBondContact O-CB 3.43Å
614	E	85.8	Confident	94.4	Very high	182 Å²	182	64.2 Å²	64.2	85%	0.85	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-48.8	171.5	-63.3	-176.4	150.7	0	0	110.2	A616	E614-A616 PolarHBondContact O-N 2.66Å
615	E	89.8	Confident	94.4	Very high	101 Å²	101	61.9 Å²	61.9	47%	0.472	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	10.3	177.1	-64.8	-69.5	103.1	0	0	115.5	E617 R618 E619	E615-E617 VanDerWaalsContact C-N 3.29Å; E615-E617 PolarHBondContact O-N 2.98Å; E615-E617 VanDerWaalsContact O-N 3.12Å; E615-R618 PolarHBondContact O-N 3.14Å; E615-R618 IonicContact OE2-CZ 2.65Å; E615-R618 IonicContact OE2-NE 3.14Å; E615-R618 PolarHBondContact OE2-NE 3.48Å; E615-R618 IonicContact OE2-NH2 2.73Å; E615-R618 PolarHBondContact OE2-NH2 3.31Å; E615-E619 HydrophobicContact CB-CG 4.2Å; E615-E619 PolarHBondContact O-N 3.14Å
616	A	90.1	Very high	94.5	Very high	3 Å²	3	56.8 Å²	56.8	3%	0.025	29%	0.294	C	S	.	.	H	α-helix	trans	-49.1	-42.5	-169.8	0	0	0	0	0	114.9	G611 G613 E614 I620	G611-A616 WeakPolarHBondContact O-CB 3.22Å; G613-A616 WeakPolarHBondContact O-CB 3.43Å; E614-A616 PolarHBondContact O-N 2.66Å; A616-I620 WeakPolarHBondContact O-CG1 3.33Å; A616-I620 PolarHBondContact O-N 3.45Å
617	E	94.8	Very high	94.5	Very high	86 Å²	86	61.7 Å²	61.7	40%	0.402	31%	0.308	S	S	.	.	H	α-helix	trans	-65.8	-46.3	179	177.3	171.2	174	0	0	111.4	F481 E615 I620 K621	F481-E617 HydrophobicContact CD1-CB 3.82Å; F481-E617 HydrophobicContact CD1-CG 3.87Å; F481-E617 HydrophobicContact CD2-CG 3.87Å; F481-E617 HydrophobicContact CE1-CB 3.89Å; F481-E617 HydrophobicContact CE1-CG 3.97Å; F481-E617 HydrophobicContact CE2-CG 3.98Å; F481-E617 HydrophobicContact CG-CB 4.27Å; F481-E617 HydrophobicContact CG-CG 3.84Å; F481-E617 HydrophobicContact CZ-CB 4.37Å; F481-E617 HydrophobicContact CZ-CG 4.02Å; E615-E617 VanDerWaalsContact C-N 3.29Å; E615-E617 PolarHBondContact O-N 2.98Å; E615-E617 VanDerWaalsContact O-N 3.12Å; E617-I620 PolarHBondContact O-N 3.41Å; E617-K621 HydrophobicContact CG-CD 3.86Å; E617-K621 HydrophobicContact CG-CG 4.2Å; E617-K621 WeakPolarHBondContact O-CB 3.2Å; E617-K621 WeakPolarHBondContact O-CG 3.5Å; E617-K621 PolarHBondContact O-N 2.56Å; E617-K621 VanDerWaalsContact OE1-CE 3.27Å; E617-K621 WeakPolarHBondContact OE1-CE 3.41Å; E617-K621 IonicContact OE1-NZ 3.04Å; E617-K621 PolarHBondContact OE1-NZ 2.91Å
618	R	96.7	Very high	94.6	Very high	111 Å²	111	68 Å²	68	42%	0.419	32%	0.315	S	S	.	.	H	α-helix	trans	-66.4	-44.9	179.1	-171.8	-178.6	59.2	68	5.7	111.4	E615 I620 K621 E622	E615-R618 PolarHBondContact O-N 3.14Å; E615-R618 IonicContact OE2-CZ 2.65Å; E615-R618 IonicContact OE2-NE 3.14Å; E615-R618 PolarHBondContact OE2-NE 3.48Å; E615-R618 IonicContact OE2-NH2 2.73Å; E615-R618 PolarHBondContact OE2-NH2 3.31Å; R618-I620 PolarHBondContact O-N 3.26Å; R618-K621 PolarHBondContact O-N 3.2Å; R618-E622 WeakPolarHBondContact CD-OE1 3.15Å; R618-E622 HydrophobicContact CG-CG 3.94Å; R618-E622 VanDerWaalsContact CG-OE1 3.26Å; R618-E622 WeakPolarHBondContact CG-OE1 3.29Å; R618-E622 IonicContact CZ-OE2 2.69Å; R618-E622 IonicContact NH1-OE1 3.2Å; R618-E622 IonicContact NH1-OE2 2.66Å; R618-E622 PolarHBondContact NH1-OE2 3.41Å; R618-E622 VanDerWaalsContact O-CB 3.27Å; R618-E622 WeakPolarHBondContact O-CB 3.46Å; R618-E622 WeakPolarHBondContact O-CG 3.39Å; R618-E622 PolarHBondContact O-N 3.48Å
619	E	96.7	Very high	94.7	Very high	73 Å²	73	61.6 Å²	61.6	34%	0.341	29%	0.288	S	S	.	.	H	α-helix	trans	-55.5	-37.6	176.9	-70.3	-176.1	165.2	0	0	112.9	L610 G611 E615	L610-E619 HydrophobicContact CD1-CB 3.75Å; G611-E619 PolarHBondContact N-OE2 2.67Å; E615-E619 HydrophobicContact CB-CG 4.2Å; E615-E619 PolarHBondContact O-N 3.14Å
620	I	97.9	Very high	94.7	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-81.5	-47.9	179.1	-67.3	173.1	0	0	0	110.7	F481 W550 L601 L610 A616 E617 R618 E622 H623 F626	F481-I620 HydrophobicContact CE1-CB 4.39Å; F481-I620 HydrophobicContact CE1-CD1 4.36Å; F481-I620 HydrophobicContact CZ-CB 4.01Å; F481-I620 HydrophobicContact CZ-CG2 3.86Å; W550-I620 HydrophobicContact CD2-CD1 3.6Å; W550-I620 HydrophobicContact CE3-CD1 3.41Å; W550-I620 VanDerWaalsContact CE3-CD1 3.41Å; W550-I620 HydrophobicContact CG-CD1 4.38Å; W550-I620 HydrophobicContact CH2-CD1 3.86Å; W550-I620 HydrophobicContact CZ2-CD1 4.02Å; W550-I620 HydrophobicContact CZ3-CD1 3.54Å; L601-I620 HydrophobicContact CD2-CD1 4.49Å; L610-I620 HydrophobicContact CD1-CG1 4.41Å; L610-I620 HydrophobicContact CD2-CG1 4.32Å; L610-I620 HydrophobicContact CG-CG1 3.95Å; A616-I620 WeakPolarHBondContact O-CG1 3.33Å; A616-I620 PolarHBondContact O-N 3.45Å; E617-I620 PolarHBondContact O-N 3.41Å; R618-I620 PolarHBondContact O-N 3.26Å; I620-E622 VanDerWaalsContact C-N 3.28Å; I620-E622 PolarHBondContact O-N 3.1Å; I620-H623 WeakPolarHBondContact O-CB 3.19Å; I620-H623 PolarHBondContact O-N 2.69Å; I620-H623 VanDerWaalsContact O-N 3.1Å; I620-F626 HydrophobicContact CG2-CE2 3.99Å; I620-F626 WeakPolarHBondContact O-CD2 3.48Å
621	K	98.3	Very high	94.7	Very high	42 Å²	42	64.6 Å²	64.6	18%	0.183	30%	0.303	C	S	.	.	H	α-helix	trans	-60.8	-34.2	179.8	-73.5	-169.4	165.9	173.2	0	112.7	F481 E617 R618 W631 E635	F481-K621 HydrophobicContact CE2-CD 4.2Å; F481-K621 HydrophobicContact CE2-CG 3.8Å; F481-K621 HydrophobicContact CZ-CG 4.15Å; E617-K621 HydrophobicContact CG-CD 3.86Å; E617-K621 HydrophobicContact CG-CG 4.2Å; E617-K621 WeakPolarHBondContact O-CB 3.2Å; E617-K621 WeakPolarHBondContact O-CG 3.5Å; E617-K621 PolarHBondContact O-N 2.56Å; E617-K621 VanDerWaalsContact OE1-CE 3.27Å; E617-K621 WeakPolarHBondContact OE1-CE 3.41Å; E617-K621 IonicContact OE1-NZ 3.04Å; E617-K621 PolarHBondContact OE1-NZ 2.91Å; R618-K621 PolarHBondContact O-N 3.2Å; K621-W631 HydrophobicContact CB-CD2 4.27Å; K621-W631 HydrophobicContact CB-CG 4.46Å; K621-W631 HydrophobicContact CB-CZ2 4.18Å; K621-W631 HydrophobicContact CD-CB 4.4Å; K621-W631 HydrophobicContact CD-CD2 3.97Å; K621-W631 HydrophobicContact CD-CE3 4.22Å; K621-W631 HydrophobicContact CD-CG 4.03Å; K621-W631 HydrophobicContact CG-CD2 3.69Å; K621-W631 HydrophobicContact CG-CE3 4Å; K621-W631 HydrophobicContact CG-CG 4.13Å; K621-W631 HydrophobicContact CG-CH2 4.21Å; K621-W631 HydrophobicContact CG-CZ2 3.92Å; K621-W631 HydrophobicContact CG-CZ3 4.23Å; K621-W631 PolarHBondContact O-NE1 2.89Å; K621-E635 IonicContact NZ-OE1 2.65Å; K621-E635 PolarHBondContact NZ-OE1 3.07Å
622	E	97.7	Very high	95.1	Very high	124 Å²	124	70 Å²	70	58%	0.579	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-6.4	177.2	-65.8	178.7	167.8	0	0	114.4	R618 I620	R618-E622 WeakPolarHBondContact CD-OE1 3.15Å; R618-E622 HydrophobicContact CG-CG 3.94Å; R618-E622 VanDerWaalsContact CG-OE1 3.26Å; R618-E622 WeakPolarHBondContact CG-OE1 3.29Å; R618-E622 IonicContact CZ-OE2 2.69Å; R618-E622 IonicContact NH1-OE1 3.2Å; R618-E622 IonicContact NH1-OE2 2.66Å; R618-E622 PolarHBondContact NH1-OE2 3.41Å; R618-E622 VanDerWaalsContact O-CB 3.27Å; R618-E622 WeakPolarHBondContact O-CB 3.46Å; R618-E622 WeakPolarHBondContact O-CG 3.39Å; R618-E622 PolarHBondContact O-N 3.48Å; I620-E622 VanDerWaalsContact C-N 3.28Å; I620-E622 PolarHBondContact O-N 3.1Å
623	H	98.6	Very high	95.6	Very high	30 Å²	30	74 Å²	74	14%	0.139	34%	0.342	C	S	.	.	S	Bend	trans	-65.1	133.6	-174	-173.5	-90.3	0	0	0	111.7	I597 I620 F625 F626	I597-H623 VanDerWaalsContact CB-CE1 3.48Å; I597-H623 WeakPolarHBondContact CB-CE1 3.5Å; I597-H623 HydrophobicContact CD1-CB 4.39Å; I597-H623 PolarHBondContact N-CE1 2.88Å; I620-H623 WeakPolarHBondContact O-CB 3.19Å; I620-H623 PolarHBondContact O-N 2.69Å; I620-H623 VanDerWaalsContact O-N 3.1Å; H623-F625 WeakPolarHBondContact ND1-CB 3.43Å; H623-F625 PolarHBondContact ND1-N 2.82Å; H623-F625 PolarHBondContact O-N 3.32Å; H623-F626 PolarHBondContact O-N 3.01Å
624	P	98.4	Very high	96.2	Very high	70 Å²	70	72.5 Å²	72.5	46%	0.455	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-56.2	-13.4	-173	-30.7	36.5	0	0	0	117.8	E593 R627	E593-P624 HydrophobicContact CG-CB 4.28Å; P624-R627 WeakPolarHBondContact O-CD 3.41Å; P624-R627 VanDerWaalsContact O-CG 3.29Å; P624-R627 WeakPolarHBondContact O-CG 3.11Å
625	F	98.6	Very high	96.6	Very high	10 Å²	10	68 Å²	68	4%	0.044	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-65.4	-38.3	169.9	-176.8	-103.9	0	0	0	112.2	E466 A470 M557 L561 E593 A594 I597 H623	E466-F625 HydrophobicContact CG-CE2 3.74Å; E466-F625 HydrophobicContact CG-CZ 4.37Å; A470-F625 HydrophobicContact CB-CD1 4.36Å; A470-F625 HydrophobicContact CB-CE1 3.68Å; A470-F625 HydrophobicContact CB-CZ 3.88Å; M557-F625 HydrophobicContact CE-CD1 3.72Å; M557-F625 HydrophobicContact CE-CE1 3.2Å; M557-F625 HydrophobicContact CE-CZ 3.76Å; L561-F625 HydrophobicContact CD1-CE2 4.32Å; L561-F625 HydrophobicContact CD1-CZ 4.26Å; L561-F625 HydrophobicContact CD2-CE2 4.48Å; L561-F625 HydrophobicContact CD2-CZ 4.41Å; E593-F625 HydrophobicContact CB-CB 4.46Å; A594-F625 HydrophobicContact CB-CD2 4.16Å; A594-F625 HydrophobicContact CB-CE2 3.89Å; I597-F625 HydrophobicContact CB-CB 4.24Å; I597-F625 HydrophobicContact CB-CG 4.48Å; I597-F625 HydrophobicContact CD1-CB 4.19Å; I597-F625 HydrophobicContact CD1-CD1 4.08Å; I597-F625 HydrophobicContact CD1-CG 4.41Å; I597-F625 HydrophobicContact CG2-CB 4.13Å; I597-F625 HydrophobicContact CG2-CD1 4.13Å; I597-F625 HydrophobicContact CG2-CD2 4.07Å; I597-F625 HydrophobicContact CG2-CG 3.86Å; H623-F625 WeakPolarHBondContact ND1-CB 3.43Å; H623-F625 PolarHBondContact ND1-N 2.82Å; H623-F625 PolarHBondContact O-N 3.32Å
626	F	98.4	Very high	96.9	Very high	3 Å²	3	69.6 Å²	69.6	1%	0.013	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-92.7	12	-179.3	-60.7	-64.3	0	0	0	114	A470 A473 A474 Y553 M557 I597 I620 H623 W628 I629 W631	A470-F626 WeakPolarHBondContact O-CE1 3.48Å; A473-F626 HydrophobicContact CB-CE1 3.99Å; A473-F626 HydrophobicContact CB-CZ 4.01Å; A474-F626 HydrophobicContact CB-CD1 4.17Å; A474-F626 HydrophobicContact CB-CE1 4.06Å; Y553-F626 WeakPolarHBondContact OH-CZ 3.33Å; M557-F626 HydrophobicContact CE-CZ 4.15Å; I597-F626 HydrophobicContact CD1-CD2 4.03Å; I597-F626 HydrophobicContact CD1-CE2 3.31Å; I597-F626 HydrophobicContact CD1-CZ 3.91Å; I620-F626 HydrophobicContact CG2-CE2 3.99Å; I620-F626 WeakPolarHBondContact O-CD2 3.48Å; H623-F626 PolarHBondContact O-N 3.01Å; F626-W628 PolarHBondContact O-N 3.39Å; F626-I629 HydrophobicContact CB-CB 4.39Å; F626-I629 HydrophobicContact CB-CG1 4.25Å; F626-I629 HydrophobicContact CD1-CG1 4.01Å; F626-I629 WeakPolarHBondContact O-CB 3.36Å; F626-I629 PolarHBondContact O-N 3.48Å; F626-W631 HydrophobicContact CB-CZ2 3.78Å; F626-W631 HydrophobicContact CD1-CH2 4.4Å; F626-W631 HydrophobicContact CD1-CZ2 4.11Å; F626-W631 HydrophobicContact CD2-CH2 4.3Å; F626-W631 AromaticContact CD2-CZ2 3.8Å; F626-W631 HydrophobicContact CD2-CZ2 3.8Å; F626-W631 HydrophobicContact CE2-CH2 4.44Å; F626-W631 HydrophobicContact CE2-CZ2 4.38Å; F626-W631 HydrophobicContact CG-CH2 4.27Å; F626-W631 AromaticContact CG-CZ2 3.64Å; F626-W631 HydrophobicContact CG-CZ2 3.64Å
627	R	96.8	Very high	97.2	Very high	133 Å²	133	72.6 Å²	72.6	50%	0.502	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-9.9	-178.8	69.7	-178.1	163.5	-149.6	-15.8	116.6	E593 P624	E593-R627 IonicContact OE1-CZ 2.76Å; E593-R627 IonicContact OE1-NH1 3.51Å; E593-R627 PolarHBondContact OE1-NH1 2.88Å; E593-R627 IonicContact OE1-NH2 3.38Å; E593-R627 PolarHBondContact OE1-NH2 3.36Å; P624-R627 WeakPolarHBondContact O-CD 3.41Å; P624-R627 VanDerWaalsContact O-CG 3.29Å; P624-R627 WeakPolarHBondContact O-CG 3.11Å
628	W	94.7	Very high	97.2	Very high	215 Å²	215	72.6 Å²	72.6	81%	0.814	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	-1.2	178.4	-56.2	123.1	0	0	0	113	F626	F626-W628 PolarHBondContact O-N 3.39Å
629	I	97.8	Very high	97.1	Very high	29 Å²	29	68.8 Å²	68.8	15%	0.149	31%	0.309	C	S	.	.			trans	-93.3	120.3	176.6	-56.5	-56.1	0	0	0	108.4	A474 F626 W631 L634	A474-I629 HydrophobicContact CB-CG1 4.28Å; A474-I629 HydrophobicContact CB-CG2 4Å; F626-I629 HydrophobicContact CB-CB 4.39Å; F626-I629 HydrophobicContact CB-CG1 4.25Å; F626-I629 HydrophobicContact CD1-CG1 4.01Å; F626-I629 WeakPolarHBondContact O-CB 3.36Å; F626-I629 PolarHBondContact O-N 3.48Å; I629-W631 HydrophobicContact CG2-CD2 4.11Å; I629-W631 HydrophobicContact CG2-CG 4.33Å; I629-W631 PolarHBondContact O-N 3Å; I629-L634 HydrophobicContact CG2-CB 4.42Å; I629-L634 HydrophobicContact CG2-CD2 4.01Å
630	D	97.9	Very high	96.9	Very high	70 Å²	70	70.3 Å²	70.3	37%	0.374	33%	0.326	S	S	.	.			trans	-87.5	100.4	165.3	-178.8	-32.7	0	0	0	107.1	D632 R633 L634 I639	D630-D632 PolarHBondContact O-N 2.78Å; D630-D632 PolarHBondContact OD1-N 3.14Å; D630-R633 HydrophobicContact CB-CB 3.98Å; D630-R633 HydrophobicContact CB-CG 4.21Å; D630-R633 PolarHBondContact O-N 3.49Å; D630-R633 WeakPolarHBondContact OD1-CB 3.42Å; D630-R633 WeakPolarHBondContact OD1-CG 3.28Å; D630-R633 PolarHBondContact OD1-N 2.85Å; D630-R633 WeakPolarHBondContact OD2-CD 3.41Å; D630-R633 WeakPolarHBondContact OD2-CG 3.26Å; D630-L634 WeakPolarHBondContact O-CB 3.37Å; D630-L634 PolarHBondContact O-N 3.45Å; D630-I639 HydrophobicContact CB-CD1 4.33Å; D630-I639 WeakPolarHBondContact O-CD1 3.42Å
631	W	98	Very high	96.8	Very high	27 Å²	27	71.8 Å²	71.8	10%	0.102	34%	0.335	C	S	.	.	H	α-helix	trans	-62.5	-41	-172.9	-67	94.1	0	0	0	112.3	A474 A477 V478 F481 K621 F626 I629 R633 L634 E635	A474-W631 HydrophobicContact CB-CE3 4.37Å; A474-W631 HydrophobicContact CB-CH2 3.66Å; A474-W631 HydrophobicContact CB-CZ2 4.35Å; A474-W631 HydrophobicContact CB-CZ3 3.68Å; A474-W631 WeakPolarHBondContact O-CZ3 3.27Å; A477-W631 HydrophobicContact CB-CH2 4.25Å; A477-W631 HydrophobicContact CB-CZ3 4.24Å; V478-W631 HydrophobicContact CG2-CE3 4.08Å; V478-W631 HydrophobicContact CG2-CZ3 4.15Å; F481-W631 HydrophobicContact CE2-CZ3 4.16Å; K621-W631 HydrophobicContact CB-CD2 4.27Å; K621-W631 HydrophobicContact CB-CG 4.46Å; K621-W631 HydrophobicContact CB-CZ2 4.18Å; K621-W631 HydrophobicContact CD-CB 4.4Å; K621-W631 HydrophobicContact CD-CD2 3.97Å; K621-W631 HydrophobicContact CD-CE3 4.22Å; K621-W631 HydrophobicContact CD-CG 4.03Å; K621-W631 HydrophobicContact CG-CD2 3.69Å; K621-W631 HydrophobicContact CG-CE3 4Å; K621-W631 HydrophobicContact CG-CG 4.13Å; K621-W631 HydrophobicContact CG-CH2 4.21Å; K621-W631 HydrophobicContact CG-CZ2 3.92Å; K621-W631 HydrophobicContact CG-CZ3 4.23Å; K621-W631 PolarHBondContact O-NE1 2.89Å; F626-W631 HydrophobicContact CB-CZ2 3.78Å; F626-W631 HydrophobicContact CD1-CH2 4.4Å; F626-W631 HydrophobicContact CD1-CZ2 4.11Å; F626-W631 HydrophobicContact CD2-CH2 4.3Å; F626-W631 AromaticContact CD2-CZ2 3.8Å; F626-W631 HydrophobicContact CD2-CZ2 3.8Å; F626-W631 HydrophobicContact CE2-CH2 4.44Å; F626-W631 HydrophobicContact CE2-CZ2 4.38Å; F626-W631 HydrophobicContact CG-CH2 4.27Å; F626-W631 AromaticContact CG-CZ2 3.64Å; F626-W631 HydrophobicContact CG-CZ2 3.64Å; I629-W631 HydrophobicContact CG2-CD2 4.11Å; I629-W631 HydrophobicContact CG2-CG 4.33Å; I629-W631 PolarHBondContact O-N 3Å; W631-R633 VanDerWaalsContact C-N 3.29Å; W631-R633 PolarHBondContact O-N 2.91Å; W631-L634 HydrophobicContact CE3-CD2 4.41Å; W631-L634 WeakPolarHBondContact O-CB 3.27Å; W631-L634 PolarHBondContact O-N 3.19Å; W631-E635 WeakPolarHBondContact O-CG 3.38Å; W631-E635 PolarHBondContact O-N 2.84Å
632	D	97.1	Very high	96.6	Very high	112 Å²	112	71.9 Å²	71.9	60%	0.599	34%	0.34	S	S	*	.	H	α-helix	trans	-62.6	-38.6	178	-68.7	-34.8	0	0	0	111.1	D630 R636	D630-D632 PolarHBondContact O-N 2.78Å; D630-D632 PolarHBondContact OD1-N 3.14Å; D632-R636 VanDerWaalsContact C-NH1 3.35Å; D632-R636 WeakPolarHBondContact O-CG 3.4Å; D632-R636 PolarHBondContact O-N 3.03Å; D632-R636 PolarHBondContact O-NH1 3.11Å
633	R	97.7	Very high	96.3	Very high	101 Å²	101	70 Å²	70	38%	0.381	33%	0.331	S	S	.	.	H	α-helix	trans	-73.2	-34.7	174.8	-69.7	-170.6	63.3	-146.7	-12.3	113	D630 W631 R636 L637 E638 I639	D630-R633 HydrophobicContact CB-CB 3.98Å; D630-R633 HydrophobicContact CB-CG 4.21Å; D630-R633 PolarHBondContact O-N 3.49Å; D630-R633 WeakPolarHBondContact OD1-CB 3.42Å; D630-R633 WeakPolarHBondContact OD1-CG 3.28Å; D630-R633 PolarHBondContact OD1-N 2.85Å; D630-R633 WeakPolarHBondContact OD2-CD 3.41Å; D630-R633 WeakPolarHBondContact OD2-CG 3.26Å; W631-R633 VanDerWaalsContact C-N 3.29Å; W631-R633 PolarHBondContact O-N 2.91Å; R633-R636 PolarHBondContact O-N 2.81Å; R633-L637 PolarHBondContact O-N 3.23Å; R633-E638 HydrophobicContact CB-CB 4.05Å; R633-E638 HydrophobicContact CG-CB 4.46Å; R633-E638 WeakPolarHBondContact CG-OE2 3.46Å; R633-E638 IonicContact NE-OE2 3.31Å; R633-E638 PolarHBondContact NE-OE2 3.29Å; R633-E638 PolarHBondContact NH2-O 2.99Å; R633-E638 WeakPolarHBondContact O-CB 3.44Å; R633-E638 PolarHBondContact O-N 3.31Å; R633-I639 HydrophobicContact CB-CD1 4.22Å; R633-I639 HydrophobicContact CB-CG1 3.98Å
634	L	97.6	Very high	95.9	Very high	1 Å²	1	74 Å²	74	1%	0.005	35%	0.347	C	S	.	.	H	α-helix	trans	-63.5	-48.5	175	-169	74	0	0	0	110.8	F428 F471 A474 E475 I629 D630 W631 R636 L637 I639	F428-L634 HydrophobicContact CZ-CG 4.36Å; F428-L634 WeakPolarHBondContact CZ-O 3.47Å; F471-L634 HydrophobicContact CD2-CD1 4.08Å; F471-L634 HydrophobicContact CE2-CD1 3.75Å; F471-L634 HydrophobicContact CZ-CD1 4.31Å; A474-L634 HydrophobicContact CB-CD2 3.43Å; A474-L634 VanDerWaalsContact CB-CD2 3.43Å; E475-L634 HydrophobicContact CG-CD1 3.82Å; E475-L634 HydrophobicContact CG-CD2 3.95Å; E475-L634 HydrophobicContact CG-CG 3.99Å; I629-L634 HydrophobicContact CG2-CB 4.42Å; I629-L634 HydrophobicContact CG2-CD2 4.01Å; D630-L634 WeakPolarHBondContact O-CB 3.37Å; D630-L634 PolarHBondContact O-N 3.45Å; W631-L634 HydrophobicContact CE3-CD2 4.41Å; W631-L634 WeakPolarHBondContact O-CB 3.27Å; W631-L634 PolarHBondContact O-N 3.19Å; L634-R636 PolarHBondContact O-N 2.98Å; L634-R636 VanDerWaalsContact O-N 3.12Å; L634-L637 PolarHBondContact O-N 3.02Å; L634-I639 HydrophobicContact CB-CD1 4.07Å; L634-I639 HydrophobicContact CD1-CB 4.29Å; L634-I639 HydrophobicContact CD1-CD1 4.19Å
635	E	95.3	Very high	95.3	Very high	86 Å²	86	71 Å²	71	40%	0.402	33%	0.328	S	S	.	.	H	α-helix	trans	-63.2	-18.4	179.4	-68.3	-175.6	-148.6	0	0	113.1	V478 K621 W631	V478-E635 HydrophobicContact CB-CG 4.43Å; V478-E635 HydrophobicContact CG1-CG 3.83Å; V478-E635 HydrophobicContact CG2-CG 3.66Å; K621-E635 IonicContact NZ-OE1 2.65Å; K621-E635 PolarHBondContact NZ-OE1 3.07Å; W631-E635 WeakPolarHBondContact O-CG 3.38Å; W631-E635 PolarHBondContact O-N 2.84Å
636	R	95.9	Very high	94.4	Very high	135 Å²	135	81.2 Å²	81.2	51%	0.509	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	7.7	172.2	-63.5	-168.1	-50.6	-82.9	-4.4	115	D632 R633 L634 E638	D632-R636 VanDerWaalsContact C-NH1 3.35Å; D632-R636 WeakPolarHBondContact O-CG 3.4Å; D632-R636 PolarHBondContact O-N 3.03Å; D632-R636 PolarHBondContact O-NH1 3.11Å; R633-R636 PolarHBondContact O-N 2.81Å; L634-R636 PolarHBondContact O-N 2.98Å; L634-R636 VanDerWaalsContact O-N 3.12Å; R636-E638 HydrophobicContact CB-CG 4.03Å; R636-E638 IonicContact CZ-OE1 3.24Å; R636-E638 VanDerWaalsContact CZ-OE1 3.3Å; R636-E638 IonicContact CZ-OE2 2.71Å; R636-E638 IonicContact NE-OE1 3.6Å; R636-E638 PolarHBondContact NE-OE1 2.98Å; R636-E638 IonicContact NE-OE2 2.69Å; R636-E638 IonicContact NH2-OE1 3.48Å; R636-E638 PolarHBondContact NH2-OE1 2.91Å; R636-E638 IonicContact NH2-OE2 2.72Å; R636-E638 PolarHBondContact NH2-OE2 2.78Å; R636-E638 PolarHBondContact O-N 3.23Å
637	L	95.9	Very high	92.8	Very high	66 Å²	66	85.3 Å²	85.3	35%	0.346	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	25.1	-176.4	-47.9	177.9	0	0	0	114.1	H427 F428 R633 L634 I639	H427-L637 HydrophobicContact CB-CD1 4.18Å; H427-L637 HydrophobicContact CB-CD2 4.17Å; F428-L637 HydrophobicContact CE1-CD2 3.5Å; F428-L637 HydrophobicContact CZ-CD2 3.7Å; R633-L637 PolarHBondContact O-N 3.23Å; L634-L637 PolarHBondContact O-N 3.02Å; L637-I639 VanDerWaalsContact C-N 3.27Å; L637-I639 PolarHBondContact O-N 2.92Å
638	E	96.1	Very high	91.1	Very high	86 Å²	86	79.2 Å²	79.2	40%	0.402	37%	0.37	S	S	.	.			trans	-84.6	2.9	179.3	-65.5	177.1	-167.3	0	0	113.5	R633 R636	R633-E638 HydrophobicContact CB-CB 4.05Å; R633-E638 HydrophobicContact CG-CB 4.46Å; R633-E638 WeakPolarHBondContact CG-OE2 3.46Å; R633-E638 IonicContact NE-OE2 3.31Å; R633-E638 PolarHBondContact NE-OE2 3.29Å; R633-E638 PolarHBondContact NH2-O 2.99Å; R633-E638 WeakPolarHBondContact O-CB 3.44Å; R633-E638 PolarHBondContact O-N 3.31Å; R636-E638 HydrophobicContact CB-CG 4.03Å; R636-E638 IonicContact CZ-OE1 3.24Å; R636-E638 VanDerWaalsContact CZ-OE1 3.3Å; R636-E638 IonicContact CZ-OE2 2.71Å; R636-E638 IonicContact NE-OE1 3.6Å; R636-E638 PolarHBondContact NE-OE1 2.98Å; R636-E638 IonicContact NE-OE2 2.69Å; R636-E638 IonicContact NH2-OE1 3.48Å; R636-E638 PolarHBondContact NH2-OE1 2.91Å; R636-E638 IonicContact NH2-OE2 2.72Å; R636-E638 PolarHBondContact NH2-OE2 2.78Å; R636-E638 PolarHBondContact O-N 3.23Å
639	I	94.8	Very high	89.7	Confident	31 Å²	31	70.3 Å²	70.3	16%	0.159	35%	0.346	C	S	.	.	S	Bend	trans	-110.5	118.7	175.2	-55.4	-175.1	0	0	0	107.8	F471 D630 R633 L634 L637	F471-I639 HydrophobicContact CD2-CG2 4.06Å; F471-I639 HydrophobicContact CE2-CB 4.18Å; F471-I639 HydrophobicContact CE2-CG2 3.79Å; D630-I639 HydrophobicContact CB-CD1 4.33Å; D630-I639 WeakPolarHBondContact O-CD1 3.42Å; R633-I639 HydrophobicContact CB-CD1 4.22Å; R633-I639 HydrophobicContact CB-CG1 3.98Å; L634-I639 HydrophobicContact CB-CD1 4.07Å; L634-I639 HydrophobicContact CD1-CB 4.29Å; L634-I639 HydrophobicContact CD1-CD1 4.19Å; L637-I639 VanDerWaalsContact C-N 3.27Å; L637-I639 PolarHBondContact O-N 2.92Å
640	P	92.5	Very high	88.2	Confident	105 Å²	105	74.2 Å²	74.2	68%	0.682	36%	0.358	S	S	*	.			trans	-69.5	137.9	-176.1	27.9	-34.5	0	0	0	111.6
641	P	95.7	Very high	86.6	Confident	31 Å²	31	78 Å²	78	20%	0.201	37%	0.371	C	S	.	.			trans	-55.6	146.1	176.3	-31.2	38.2	0	0	0	114.4	F471 H505 F643	F471-P641 HydrophobicContact CE1-CB 4.21Å; F471-P641 HydrophobicContact CE1-CG 4.42Å; F471-P641 HydrophobicContact CZ-CB 4.2Å; F471-P641 HydrophobicContact CZ-CG 4.09Å; H505-P641 WeakPolarHBondContact NE2-CG 3.39Å; P641-F643 PolarHBondContact O-N 2.86Å
642	P	92.7	Very high	84.9	Confident	45 Å²	45	76.8 Å²	76.8	29%	0.292	37%	0.367	S	S	.	.	S	Bend	trans	-71.4	-19	179.6	29.3	-35.8	0	0	0	113.4	H468 F471 Y472	H468-P642 HydrophobicContact CB-CB 4.05Å; H468-P642 HydrophobicContact CB-CG 4.04Å; H468-P642 WeakPolarHBondContact ND1-CB 3.35Å; F471-P642 HydrophobicContact CB-CG 4.24Å; F471-P642 HydrophobicContact CD1-CG 3.94Å; F471-P642 HydrophobicContact CG-CG 4.18Å; Y472-P642 HydrophobicContact CE1-CG 4.09Å; Y472-P642 HydrophobicContact CE2-CG 4.17Å
643	F	92.1	Very high	83.6	Confident	85 Å²	85	77.1 Å²	77.1	37%	0.373	37%	0.366	S	S	.	.			trans	-150.9	130.7	178.4	161.1	-99.8	0	0	0	108.3	H457 L500 P641 P645	H457-F643 AromaticContact CE1-CE1 3.64Å; H457-F643 AromaticContact ND1-CE1 3.61Å; H457-F643 AromaticContact ND1-CZ 3.9Å; L500-F643 HydrophobicContact CD1-CD1 3.97Å; L500-F643 HydrophobicContact CD1-CE1 4.14Å; P641-F643 PolarHBondContact O-N 2.86Å; F643-P645 HydrophobicContact CE1-CB 3.95Å; F643-P645 HydrophobicContact CZ-CB 4.23Å
644	K	90.8	Very high	82.1	Confident	112 Å²	112	73.2 Å²	73.2	49%	0.487	35%	0.352	S	S	.	.			trans	-104.5	122.3	172.7	178.6	163.1	-177.7	167	0	108.8	S502 E503	S502-K644 WeakPolarHBondContact O-CE 3.42Å; E503-K644 WeakPolarHBondContact O-CB 3Å; E503-K644 WeakPolarHBondContact O-CG 3.26Å; E503-K644 WeakPolarHBondContact OE1-CE 3.44Å; E503-K644 IonicContact OE1-NZ 3.94Å; E503-K644 PolarHBondContact OE1-NZ 2.88Å; E503-K644 WeakPolarHBondContact OE2-CE 3.5Å; E503-K644 IonicContact OE2-NZ 3.82Å; E503-K644 PolarHBondContact OE2-NZ 3.13Å
645	P	85.8	Confident	80.6	Confident	8 Å²	8	75 Å²	75	5%	0.052	36%	0.36	C	S	.	.			trans	-69.7	167.2	-178.8	27.4	-32.3	0	0	0	112	L500 D501 F643	L500-P645 HydrophobicContact CB-CG 4.49Å; D501-P645 WeakPolarHBondContact O-CG 3.47Å; F643-P645 HydrophobicContact CE1-CB 3.95Å; F643-P645 HydrophobicContact CZ-CB 4.23Å
646	R	78.1	Confident	79.1	Confident	224 Å²	224	73.1 Å²	73.1	85%	0.845	35%	0.353	S	S	*	.			trans	-85.4	115.9	168.9	-64	-177.1	-179.3	-162.9	0.1	107.7	G648 N654	R646-G648 PolarHBondContact O-N 3.13Å; R646-G648 VanDerWaalsContact O-N 3.16Å; R646-N654 PolarHBondContact O-ND2 2.9Å
647	T	66.6	Low	77.8	Confident	89 Å²	89	74.6 Å²	74.6	55%	0.546	36%	0.363	S	S	.	.			trans	-57.2	116.7	-179.9	51.9	0	0	0	0	111.2	D450 G649	D450-T647 WeakPolarHBondContact OD2-CA 3.29Å; D450-T647 VanDerWaalsContact OD2-CB 3.3Å; D450-T647 WeakPolarHBondContact OD2-CB 3.47Å; T647-G649 VanDerWaalsContact C-N 3.31Å
648	G	59.3	Low	76	Confident	5 Å²	5	77.7 Å²	77.7	5%	0.052	37%	0.374	C	S	.	.			trans	-76.4	-16.6	-178.2	0	0	0	0	0	113.8	D450 R646 K651 G652	D450-G648 PolarHBondContact OD2-N 2.98Å; R646-G648 PolarHBondContact O-N 3.13Å; R646-G648 VanDerWaalsContact O-N 3.16Å; G648-K651 PolarHBondContact O-N 3.16Å; G648-G652 PolarHBondContact O-N 3.29Å
649	G	65.9	Low	74.2	Confident	29 Å²	29	75.8 Å²	75.8	30%	0.299	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	52.1	-144.6	176.4	0	0	0	0	0	113.5	Y448 D450 T647 K651 G652	Y448-G649 PolarHBondContact OH-O 3.27Å; D450-G649 PolarHBondContact OD2-N 3.1Å; D450-G649 VanDerWaalsContact OD2-N 3.16Å; T647-G649 VanDerWaalsContact C-N 3.31Å; G649-K651 PolarHBondContact O-N 3.18Å; G649-K651 VanDerWaalsContact O-N 3.09Å; G649-G652 PolarHBondContact O-N 2.86Å
650	R	66.4	Low	72.8	Confident	111 Å²	111	76 Å²	76	42%	0.419	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-69.8	0.5	179.3	-66.2	-171.8	-174.5	-164.6	1.2	115.1	M372 E386 D391 L393	M372-R650 VanDerWaalsContact CE-O 3.27Å; M372-R650 WeakPolarHBondContact CE-O 3.2Å; E386-R650 IonicContact OE1-CZ 2.77Å; E386-R650 IonicContact OE1-NH1 2.71Å; E386-R650 PolarHBondContact OE1-NH1 3.1Å; E386-R650 IonicContact OE1-NH2 3.82Å; E386-R650 PolarHBondContact OE1-NH2 3.5Å; D391-R650 VanDerWaalsContact CB-NH2 3.28Å; D391-R650 PolarHBondContact O-NH2 3.16Å; D391-R650 IonicContact OD1-CZ 2.79Å; D391-R650 IonicContact OD1-NH1 3.86Å; D391-R650 IonicContact OD1-NH2 2.78Å; D391-R650 PolarHBondContact OD1-NH2 3.12Å; L393-R650 HydrophobicContact CD1-CG 3.95Å; L393-R650 HydrophobicContact CD2-CG 4.32Å
651	K	64.8	Low	71.6	Confident	148 Å²	148	75.1 Å²	75.1	64%	0.643	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-103.9	-11.5	-177.9	-71.6	177.1	178.6	175.4	0	113.9	G648 G649 E653	G648-K651 PolarHBondContact O-N 3.16Å; G649-K651 PolarHBondContact O-N 3.18Å; G649-K651 VanDerWaalsContact O-N 3.09Å; K651-E653 VanDerWaalsContact C-N 3.31Å; K651-E653 HydrophobicContact CB-CG 3.68Å; K651-E653 HydrophobicContact CD-CG 4.37Å; K651-E653 WeakPolarHBondContact CD-OE1 3.29Å; K651-E653 IonicContact NZ-OE1 2.74Å; K651-E653 PolarHBondContact O-N 2.86Å
652	G	63	Low	69.8	Low	2 Å²	2	75.4 Å²	75.4	2%	0.021	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	61	36.8	179.4	0	0	0	0	0	113.3	G648 G649 N654 F655	G648-G652 PolarHBondContact O-N 3.29Å; G649-G652 PolarHBondContact O-N 2.86Å; G652-N654 PolarHBondContact O-N 3.39Å; G652-F655 PolarHBondContact O-N 3.14Å
653	E	68.6	Low	68.4	Low	120 Å²	120	77.7 Å²	77.7	56%	0.561	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-15.6	-170.2	-56.8	-168.9	172.1	0	0	114.2	K651	K651-E653 VanDerWaalsContact C-N 3.31Å; K651-E653 HydrophobicContact CB-CG 3.68Å; K651-E653 HydrophobicContact CD-CG 4.37Å; K651-E653 WeakPolarHBondContact CD-OE1 3.29Å; K651-E653 IonicContact NZ-OE1 2.74Å; K651-E653 PolarHBondContact O-N 2.86Å
654	N	67.3	Low	67.4	Low	19 Å²	19	74.9 Å²	74.9	10%	0.102	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	9.3	174.9	-57.3	-43.7	0	0	0	114.2	D450 F456 R646 G652	D450-N654 PolarHBondContact O-ND2 3.31Å; F456-N654 HydrophobicContact CE1-CB 3.9Å; R646-N654 PolarHBondContact O-ND2 2.9Å; G652-N654 PolarHBondContact O-N 3.39Å
655	F	65.6	Low	66.7	Low	37 Å²	37	74.6 Å²	74.6	16%	0.162	39%	0.387	C	S	.	.	S	Bend	trans	-112.5	153.5	179	-66.5	-95.3	0	0	0	111	L374 Y448 G652 K657 T660	L374-F655 HydrophobicContact CB-CD1 4.07Å; L374-F655 HydrophobicContact CB-CE1 4.15Å; L374-F655 HydrophobicContact CD1-CE1 4.41Å; L374-F655 HydrophobicContact CD2-CD1 3.81Å; L374-F655 HydrophobicContact CD2-CD2 3.95Å; L374-F655 HydrophobicContact CD2-CE1 3.93Å; L374-F655 HydrophobicContact CD2-CE2 4.08Å; L374-F655 HydrophobicContact CD2-CG 3.83Å; L374-F655 HydrophobicContact CD2-CZ 4.07Å; L374-F655 HydrophobicContact CG-CD1 4.47Å; L374-F655 HydrophobicContact CG-CE1 4.39Å; Y448-F655 AromaticContact CE2-CE2 3.75Å; Y448-F655 HydrophobicContact CE2-CE2 3.75Å; Y448-F655 AromaticContact CE2-CZ 3.75Å; Y448-F655 HydrophobicContact CE2-CZ 3.75Å; Y448-F655 AromaticContact CZ-CE2 3.96Å; Y448-F655 WeakPolarHBondContact OH-CE2 3.17Å; G652-F655 PolarHBondContact O-N 3.14Å; F655-K657 PolarHBondContact O-N 3.44Å; F655-T660 HydrophobicContact CB-CG2 3.81Å
656	D	63.9	Low	66.1	Low	47 Å²	47	75.8 Å²	75.8	25%	0.251	39%	0.392	S	S	.	.			trans	-62.2	126.8	180	-168.1	-18.2	0	0	0	111	S129 F658 F659 T660	S129-D656 WeakPolarHBondContact CB-OD2 3.22Å; S129-D656 PolarHBondContact OG-OD2 2.91Å; D656-F658 PolarHBondContact O-N 3.46Å; D656-F658 WeakPolarHBondContact OD1-CB 3.49Å; D656-F658 PolarHBondContact OD1-N 3.08Å; D656-F659 HydrophobicContact CB-CD2 4.02Å; D656-F659 HydrophobicContact CB-CE2 4.43Å; D656-F659 PolarHBondContact O-N 2.86Å; D656-T660 PolarHBondContact O-N 3.28Å
657	K	67.7	Low	65.9	Low	167 Å²	167	69.3 Å²	69.3	73%	0.726	38%	0.378	S	S	*	.	H	α-helix	trans	-58.2	-24.5	175.8	-62.5	179.8	-177.2	176.3	0	112.8	F655 F659 T660 A661	F655-K657 PolarHBondContact O-N 3.44Å; K657-F659 VanDerWaalsContact C-N 3.3Å; K657-F659 PolarHBondContact O-N 2.83Å; K657-T660 WeakPolarHBondContact CA-OG1 3.13Å; K657-A661 WeakPolarHBondContact O-CB 3.14Å; K657-A661 PolarHBondContact O-N 3.25Å
658	F	58.7	Low	66.1	Low	130 Å²	130	70.5 Å²	70.5	57%	0.57	39%	0.387	S	S	*	.	H	α-helix	trans	-59.1	-39.6	169.9	178.8	-101.2	0	0	0	112.4	D656	D656-F658 PolarHBondContact O-N 3.46Å; D656-F658 WeakPolarHBondContact OD1-CB 3.49Å; D656-F658 PolarHBondContact OD1-N 3.08Å
659	F	58.2	Low	66.5	Low	47 Å²	47	71.3 Å²	71.3	21%	0.206	39%	0.392	C	S	.	.	H	α-helix	trans	-83.4	-46.5	175.2	-59.1	-57.6	0	0	0	111.6	V373 K376 D656 K657 A661 A662	V373-F659 HydrophobicContact CB-CB 4.48Å; V373-F659 WeakPolarHBondContact CB-O 2.96Å; V373-F659 HydrophobicContact CG1-CB 4.42Å; V373-F659 CarbonylContact O-C 3.51Å; V373-F659 WeakPolarHBondContact O-CB 3.32Å; K376-F659 HydrophobicContact CB-CD1 4.4Å; K376-F659 HydrophobicContact CB-CE1 3.94Å; D656-F659 HydrophobicContact CB-CD2 4.02Å; D656-F659 HydrophobicContact CB-CE2 4.43Å; D656-F659 PolarHBondContact O-N 2.86Å; K657-F659 VanDerWaalsContact C-N 3.3Å; K657-F659 PolarHBondContact O-N 2.83Å; F659-A661 PolarHBondContact O-N 2.81Å; F659-A662 VanDerWaalsContact O-CB 3.27Å; F659-A662 WeakPolarHBondContact O-CB 3.28Å; F659-A662 PolarHBondContact O-N 3.36Å
660	T	65.2	Low	66.8	Low	34 Å²	34	74.1 Å²	74.1	21%	0.209	40%	0.4	C	S	.	.	H	α-helix	trans	-68.9	-20.2	-174.1	65.1	0	0	0	0	113.9	M372 V373 F655 D656 K657	M372-T660 HydrophobicContact SD-CG2 3.61Å; V373-T660 WeakPolarHBondContact O-CA 3.07Å; V373-T660 PolarHBondContact O-N 2.68Å; F655-T660 HydrophobicContact CB-CG2 3.81Å; D656-T660 PolarHBondContact O-N 3.28Å; K657-T660 WeakPolarHBondContact CA-OG1 3.13Å
661	A	67.8	Low	67.2	Low	88 Å²	88	73.3 Å²	73.3	73%	0.727	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-9.9	169.8	0	0	0	0	0	114.5	K657 F659	K657-A661 WeakPolarHBondContact O-CB 3.14Å; K657-A661 PolarHBondContact O-N 3.25Å; F659-A661 PolarHBondContact O-N 2.81Å
662	A	56.8	Low	67.4	Low	36 Å²	36	73 Å²	73	30%	0.298	42%	0.415	S	S	.	.	S	Bend	trans	-79.1	146.3	179.2	0	0	0	0	0	111.5	V373 F659 S664	V373-A662 HydrophobicContact CB-CB 4.48Å; V373-A662 HydrophobicContact CG2-CB 4.11Å; F659-A662 VanDerWaalsContact O-CB 3.27Å; F659-A662 WeakPolarHBondContact O-CB 3.28Å; F659-A662 PolarHBondContact O-N 3.36Å; A662-S664 PolarHBondContact O-N 2.79Å
663	P	63.2	Low	67.7	Low	93 Å²	93	75.5 Å²	75.5	60%	0.604	43%	0.43	S	S	*	.			trans	-63.1	129.8	180	24.8	-33.6	0	0	0	111.8	K381 V665	K381-P663 PolarHBondContact NZ-O 3.13Å; P663-V665 PolarHBondContact O-N 2.9Å
664	S	71.4	Confident	67.8	Low	26 Å²	26	72.1 Å²	72.1	18%	0.182	42%	0.415	C	S	.	.			trans	-67.4	-11.8	175.6	61.6	0	0	0	0	113.6	F370 A662 L666	F370-S664 WeakPolarHBondContact O-CB 3.43Å; F370-S664 PolarHBondContact O-OG 2.88Å; A662-S664 PolarHBondContact O-N 2.79Å; S664-L666 PolarHBondContact O-N 2.93Å
665	V	76.4	Confident	68	Low	106 Å²	106	75.5 Å²	75.5	64%	0.642	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-59.3	133.3	176.7	-175.7	0	0	0	0	111	K381 P663	K381-V665 PolarHBondContact NZ-O 2.83Å; P663-V665 PolarHBondContact O-N 2.9Å
666	L	73.3	Confident	68.4	Low	33 Å²	33	77.1 Å²	77.1	17%	0.173	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-77.2	128	171.6	-63.7	177.3	0	0	0	109.6	I365 F370 L383 V398 Y443 S664	I365-L666 HydrophobicContact CD1-CD1 4.06Å; F370-L666 HydrophobicContact CE2-CD1 4.36Å; L383-L666 HydrophobicContact CD1-CD2 3.95Å; V398-L666 HydrophobicContact CB-CD2 4.38Å; V398-L666 HydrophobicContact CG1-CD1 4.35Å; V398-L666 HydrophobicContact CG1-CD2 4.03Å; V398-L666 HydrophobicContact CG2-CD2 4.45Å; Y443-L666 HydrophobicContact CE1-CD1 4.07Å; S664-L666 PolarHBondContact O-N 2.93Å
667	T	73.7	Confident	69	Low	89 Å²	89	75.5 Å²	75.5	55%	0.546	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-56.7	135.9	171.7	-45.3	0	0	0	0	109.7	R441	R441-T667 PolarHBondContact NH2-O 3.44Å
668	P	70.2	Confident	69.7	Low	114 Å²	114	70.8 Å²	70.8	74%	0.74	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-54.2	157.4	171.3	-26.4	35.5	0	0	0	112.9
669	S	68.9	Low	71	Confident	22 Å²	22	68.1 Å²	68.1	15%	0.154	43%	0.429	C	S	.	.			trans	-108.7	144.6	176.9	-55.8	0	0	0	0	109.4	D440 R441	D440-S669 WeakPolarHBondContact OD2-CB 3.49Å; D440-S669 PolarHBondContact OD2-OG 3.36Å; R441-S669 PolarHBondContact NH2-OG 3.38Å
670	D	72.5	Confident	72.3	Confident	88 Å²	88	73.1 Å²	73.1	47%	0.471	45%	0.453	S	S	.	.			trans	-79.4	123.9	-172.8	-170.1	-48.2	0	0	0	111.1	D672 V673 L674	D670-D672 VanDerWaalsContact C-N 3.28Å; D670-D672 PolarHBondContact O-N 3.02Å; D670-D672 PolarHBondContact OD1-N 2.84Å; D670-V673 HydrophobicContact CB-CB 4.09Å; D670-V673 HydrophobicContact CB-CG2 3.83Å; D670-V673 WeakPolarHBondContact O-CB 3.4Å; D670-V673 PolarHBondContact O-N 2.85Å; D670-V673 VanDerWaalsContact O-N 3.07Å; D670-L674 WeakPolarHBondContact O-CG 3.06Å; D670-L674 PolarHBondContact O-N 2.61Å
671	P	73.3	Confident	73.3	Confident	94 Å²	94	74.5 Å²	74.5	61%	0.61	46%	0.459	S	S	*	.	H	α-helix	trans	-54.9	-36.6	-178.2	-27	35.7	0	0	0	115.1	V673 L674 A675	P671-V673 VanDerWaalsContact C-N 3.31Å; P671-L674 PolarHBondContact O-N 2.92Å; P671-A675 PolarHBondContact O-N 2.81Å; P671-A675 VanDerWaalsContact O-N 3.12Å
672	D	70.8	Confident	74.3	Confident	141 Å²	141	70.4 Å²	70.4	75%	0.754	43%	0.425	S	S	*	.	H	α-helix	trans	-72.4	-31.1	-179	-71.2	-16.9	0	0	0	110.8	D670	D670-D672 VanDerWaalsContact C-N 3.28Å; D670-D672 PolarHBondContact O-N 3.02Å; D670-D672 PolarHBondContact OD1-N 2.84Å
673	V	68.4	Low	75.8	Confident	55 Å²	55	76.5 Å²	76.5	33%	0.333	45%	0.447	S	S	.	.	H	α-helix	trans	-73.1	-40.8	172.9	-180	0	0	0	0	110.7	D402 D670 P671 A675 A676 I677	D402-V673 HydrophobicContact CB-CG1 3.42Å; D402-V673 VanDerWaalsContact CB-CG1 3.42Å; D670-V673 HydrophobicContact CB-CB 4.09Å; D670-V673 HydrophobicContact CB-CG2 3.83Å; D670-V673 WeakPolarHBondContact O-CB 3.4Å; D670-V673 PolarHBondContact O-N 2.85Å; D670-V673 VanDerWaalsContact O-N 3.07Å; P671-V673 VanDerWaalsContact C-N 3.31Å; V673-A675 VanDerWaalsContact C-N 3.28Å; V673-A675 PolarHBondContact O-N 2.92Å; V673-A676 WeakPolarHBondContact O-CB 3.31Å; V673-A676 PolarHBondContact O-N 2.91Å; V673-I677 WeakPolarHBondContact O-CG1 3.42Å
674	L	70.2	Confident	77	Confident	48 Å²	48	75 Å²	75	25%	0.251	45%	0.448	S	S	.	.	H	α-helix	trans	-60.3	-37.6	177.2	-65.9	176.9	0	0	0	112.7	D440 D670 P671 A676 I677	D440-L674 HydrophobicContact CB-CD2 3.3Å; D670-L674 WeakPolarHBondContact O-CG 3.06Å; D670-L674 PolarHBondContact O-N 2.61Å; P671-L674 PolarHBondContact O-N 2.92Å; L674-A676 PolarHBondContact O-N 3.1Å; L674-I677 HydrophobicContact CD2-CD1 4.09Å; L674-I677 PolarHBondContact O-N 2.78Å
675	A	72.8	Confident	78	Confident	90 Å²	90	73.7 Å²	73.7	74%	0.744	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-16.5	175.8	0	0	0	0	0	114	P671 V673	P671-A675 PolarHBondContact O-N 2.81Å; P671-A675 VanDerWaalsContact O-N 3.12Å; V673-A675 VanDerWaalsContact C-N 3.28Å; V673-A675 PolarHBondContact O-N 2.92Å
676	A	72.6	Confident	78.9	Confident	71 Å²	71	71.6 Å²	71.6	59%	0.587	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-10.9	179.6	0	0	0	0	0	114.1	V673 L674	V673-A676 WeakPolarHBondContact O-CB 3.31Å; V673-A676 PolarHBondContact O-N 2.91Å; L674-A676 PolarHBondContact O-N 3.1Å
677	I	76.5	Confident	79.9	Confident	14 Å²	14	72.8 Å²	72.8	7%	0.072	43%	0.434	C	S	.	.			trans	-82.2	118	-177.1	-62.5	169.2	0	0	0	110	K401 D402 V673 L674 Q679 F682	K401-I677 HydrophobicContact CB-CD1 3.9Å; K401-I677 HydrophobicContact CB-CG2 4Å; K401-I677 HydrophobicContact CD-CG2 4.24Å; D402-I677 HydrophobicContact CB-CD1 4.23Å; V673-I677 WeakPolarHBondContact O-CG1 3.42Å; L674-I677 HydrophobicContact CD2-CD1 4.09Å; L674-I677 PolarHBondContact O-N 2.78Å; I677-Q679 PolarHBondContact O-N 3.02Å; I677-F682 HydrophobicContact CG2-CE2 3.83Å
678	N	81.9	Confident	80.7	Confident	67 Å²	67	73.4 Å²	73.4	36%	0.358	43%	0.429	S	S	.	.			trans	-68	119.3	168.7	-173.1	19.1	0	0	0	110	E680 D681 F682	N678-E680 VanDerWaalsContact C-N 3.32Å; N678-E680 PolarHBondContact OD1-N 2.93Å; N678-D681 PolarHBondContact ND2-OD1 3.33Å; N678-F682 WeakPolarHBondContact O-CD2 3.25Å
679	Q	86.2	Confident	81.6	Confident	74 Å²	74	69.3 Å²	69.3	35%	0.346	40%	0.401	S	S	.	.	S	Bend	trans	-80.7	-16.5	-179.4	-59.8	-64.8	-32.4	0	0	112.3	E439 I677 F682	E439-Q679 PolarHBondContact O-NE2 2.81Å; E439-Q679 PolarHBondContact O-OE1 3.06Å; I677-Q679 PolarHBondContact O-N 3.02Å; Q679-F682 PolarHBondContact O-N 3.19Å
680	E	87.4	Confident	82.3	Confident	152 Å²	152	73.1 Å²	73.1	71%	0.71	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-70	-32.1	177.4	-58.6	-171.2	156.8	0	0	112.1	N678 F682 Q683	N678-E680 VanDerWaalsContact C-N 3.32Å; N678-E680 PolarHBondContact OD1-N 2.93Å; E680-F682 PolarHBondContact O-N 3.45Å; E680-Q683 VanDerWaalsContact O-CB 3.24Å; E680-Q683 WeakPolarHBondContact O-CB 3.34Å; E680-Q683 PolarHBondContact O-N 3.38Å
681	D	85.4	Confident	82.7	Confident	64 Å²	64	74.8 Å²	74.8	34%	0.342	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-60	-19.2	177.4	-57.4	-8.8	0	0	0	113	T410 N678	T410-D681 HydrophobicContact CG2-CB 4.11Å; T410-D681 WeakPolarHBondContact CG2-O 3.25Å; N678-D681 PolarHBondContact ND2-OD1 3.33Å
682	F	88.9	Confident	83	Confident	1 Å²	1	72.6 Å²	72.6	0%	0.004	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-107	14.3	178.9	-55.6	-79.3	0	0	0	113	K401 L404 T410 Q437 L442 I677 N678 Q679 E680 F685	K401-F682 HydrophobicContact CB-CE2 4Å; K401-F682 HydrophobicContact CB-CZ 3.85Å; K401-F682 HydrophobicContact CD-CD2 3.81Å; K401-F682 HydrophobicContact CD-CE2 3.84Å; K401-F682 HydrophobicContact CD-CG 4.22Å; K401-F682 HydrophobicContact CD-CZ 4.25Å; K401-F682 HydrophobicContact CG-CD1 4.33Å; K401-F682 HydrophobicContact CG-CD2 4.17Å; K401-F682 HydrophobicContact CG-CE1 3.97Å; K401-F682 HydrophobicContact CG-CE2 3.81Å; K401-F682 HydrophobicContact CG-CG 4.42Å; K401-F682 HydrophobicContact CG-CZ 3.7Å; L404-F682 HydrophobicContact CD1-CE1 4.16Å; T410-F682 HydrophobicContact CG2-CD1 3.93Å; T410-F682 HydrophobicContact CG2-CE1 3.56Å; T410-F682 HydrophobicContact CG2-CZ 4.01Å; Q437-F682 PolarHBondContact NE2-O 3.05Å; L442-F682 HydrophobicContact CD1-CD1 3.84Å; L442-F682 HydrophobicContact CD1-CE1 4Å; L442-F682 HydrophobicContact CD2-CB 4.36Å; L442-F682 HydrophobicContact CD2-CD1 3.84Å; L442-F682 HydrophobicContact CD2-CG 4.29Å; L442-F682 HydrophobicContact CG-CD1 4.25Å; I677-F682 HydrophobicContact CG2-CE2 3.83Å; N678-F682 WeakPolarHBondContact O-CD2 3.25Å; Q679-F682 PolarHBondContact O-N 3.19Å; E680-F682 PolarHBondContact O-N 3.45Å; F682-F685 WeakPolarHBondContact O-CB 3.11Å; F682-F685 PolarHBondContact O-N 3.04Å
683	Q	88.4	Confident	82.4	Confident	164 Å²	164	69.4 Å²	69.4	77%	0.766	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	140	177.5	-166.6	177.1	62.6	0	0	110.9	E680 F685	E680-Q683 VanDerWaalsContact O-CB 3.24Å; E680-Q683 WeakPolarHBondContact O-CB 3.34Å; E680-Q683 PolarHBondContact O-N 3.38Å; Q683-F685 VanDerWaalsContact C-N 3.29Å; Q683-F685 PolarHBondContact O-N 3.05Å
684	G	87.9	Confident	81.6	Confident	61 Å²	61	72 Å²	72	63%	0.629	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	-1.2	-178.6	0	0	0	0	0	115.8	S686	G684-S686 VanDerWaalsContact C-N 3.3Å; G684-S686 PolarHBondContact O-N 3.29Å
685	F	93.4	Very high	80.4	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	45%	0.45	C	S	.	.			trans	-61.3	-35.8	175.2	-175.2	-93	0	0	0	113.3	L414 R417 A435 F436 Q437 L442 Y444 F682 Q683 F687	L414-F685 HydrophobicContact CD2-CB 4.29Å; L414-F685 HydrophobicContact CD2-CD2 4.19Å; R417-F685 HydrophobicContact CB-CD2 4.07Å; R417-F685 HydrophobicContact CB-CE2 3.91Å; R417-F685 VanDerWaalsContact CD-O 3.26Å; R417-F685 WeakPolarHBondContact CD-O 3.37Å; R417-F685 HydrophobicContact CG-CD2 4.04Å; R417-F685 HydrophobicContact CG-CE2 4.07Å; R417-F685 WeakPolarHBondContact CG-O 3.32Å; A435-F685 HydrophobicContact CB-CD1 4.31Å; A435-F685 HydrophobicContact CB-CE1 3.74Å; A435-F685 HydrophobicContact CB-CZ 4.07Å; F436-F685 VanDerWaalsContact O-CE1 3.28Å; F436-F685 WeakPolarHBondContact O-CE1 3.24Å; Q437-F685 HydrophobicContact CB-CD1 4.23Å; L442-F685 HydrophobicContact CB-CE1 3.92Å; L442-F685 HydrophobicContact CB-CE2 4.11Å; L442-F685 HydrophobicContact CB-CZ 3.71Å; L442-F685 HydrophobicContact CD1-CD2 4.07Å; L442-F685 HydrophobicContact CD1-CE2 3.91Å; L442-F685 HydrophobicContact CD1-CZ 4.37Å; L442-F685 HydrophobicContact CD2-CD1 3.95Å; L442-F685 HydrophobicContact CD2-CD2 4.17Å; L442-F685 HydrophobicContact CD2-CE1 4.22Å; L442-F685 HydrophobicContact CD2-CE2 4.43Å; L442-F685 HydrophobicContact CD2-CG 3.94Å; L442-F685 HydrophobicContact CD2-CZ 4.47Å; L442-F685 HydrophobicContact CG-CE2 4.38Å; L442-F685 HydrophobicContact CG-CZ 4.41Å; Y444-F685 HydrophobicContact CD1-CE2 4.3Å; Y444-F685 AromaticContact CD1-CZ 3.87Å; Y444-F685 HydrophobicContact CD1-CZ 3.87Å; Y444-F685 HydrophobicContact CD2-CZ 4.27Å; Y444-F685 AromaticContact CE1-CE2 3.55Å; Y444-F685 HydrophobicContact CE1-CE2 3.55Å; Y444-F685 AromaticContact CE1-CZ 3.56Å; Y444-F685 HydrophobicContact CE1-CZ 3.56Å; Y444-F685 HydrophobicContact CE2-CE2 4.31Å; Y444-F685 HydrophobicContact CE2-CZ 4.02Å; Y444-F685 HydrophobicContact CG-CZ 4.22Å; Y444-F685 AromaticContact CZ-CE2 3.59Å; Y444-F685 AromaticContact CZ-CZ 3.68Å; F682-F685 WeakPolarHBondContact O-CB 3.11Å; F682-F685 PolarHBondContact O-N 3.04Å; Q683-F685 VanDerWaalsContact C-N 3.29Å; Q683-F685 PolarHBondContact O-N 3.05Å; F685-F687 PolarHBondContact O-N 3.01Å
686	S	93.6	Very high	78.6	Confident	62 Å²	62	77.9 Å²	77.9	43%	0.434	45%	0.451	S	S	.	.			trans	-68.9	124.1	-175.3	-62.4	0	0	0	0	112.8	A435 G684	A435-S686 CarbonylContact O-C 3.25Å; A435-S686 VanDerWaalsContact O-CA 3.29Å; A435-S686 WeakPolarHBondContact O-CA 3.39Å; G684-S686 VanDerWaalsContact C-N 3.3Å; G684-S686 PolarHBondContact O-N 3.29Å
687	F	94.1	Very high	76.6	Confident	58 Å²	58	82.5 Å²	82.5	25%	0.254	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	152.3	-174.6	176.1	-104	0	0	0	111.4	R417 A421 L432 C434 A435 F685 N689	R417-F687 VanDerWaalsContact NH1-CB 3.27Å; A421-F687 HydrophobicContact CB-CD1 3.93Å; A421-F687 HydrophobicContact CB-CD2 4.45Å; A421-F687 HydrophobicContact CB-CE1 3.54Å; A421-F687 HydrophobicContact CB-CE2 4.13Å; A421-F687 HydrophobicContact CB-CG 4.37Å; A421-F687 HydrophobicContact CB-CZ 3.66Å; L432-F687 HydrophobicContact CD2-CD1 3.7Å; L432-F687 HydrophobicContact CD2-CE1 4.13Å; C434-F687 CarbonylContact C-O 3.5Å; C434-F687 WeakPolarHBondContact CA-O 3.35Å; C434-F687 WeakPolarHBondContact CB-O 3.45Å; A435-F687 HydrophobicContact CB-CB 4.34Å; A435-F687 PolarHBondContact N-O 3.04Å; A435-F687 PolarHBondContact O-N 2.76Å; A435-F687 VanDerWaalsContact O-O 3.13Å; F685-F687 PolarHBondContact O-N 3.01Å; F687-N689 HydrophobicContact CE1-CB 3.81Å; F687-N689 HydrophobicContact CZ-CB 4.29Å
688	F	92.3	Very high	74.3	Confident	102 Å²	102	87.7 Å²	87.7	45%	0.447	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	131.7	171.6	-177.6	-86.1	0	0	0	107.8	V363 Y433 C434 P690	V363-F688 HydrophobicContact CG2-CD2 4.33Å; V363-F688 HydrophobicContact CG2-CE2 4.41Å; Y433-F688 HydrophobicContact CE1-CE2 4.24Å; Y433-F688 HydrophobicContact CE2-CE2 4.07Å; Y433-F688 HydrophobicContact CE2-CZ 4.14Å; Y433-F688 AromaticContact CZ-CE2 3.77Å; C434-F688 HydrophobicContact CB-CD2 3.93Å; F688-P690 WeakPolarHBondContact O-CD 3.23Å
689	N	88.9	Confident	71.6	Confident	28 Å²	28	89.3 Å²	89.3	15%	0.15	52%	0.52	C	S	.	.			trans	-90.1	110.8	-177.3	-174.2	1.8	0	0	0	110.4	L432 Y433 F687 D691 F692	L432-N689 WeakPolarHBondContact O-CB 3.26Å; L432-N689 PolarHBondContact O-ND2 3.33Å; Y433-N689 VanDerWaalsContact O-CB 3.29Å; Y433-N689 WeakPolarHBondContact O-CB 3.47Å; Y433-N689 PolarHBondContact O-N 3.48Å; F687-N689 HydrophobicContact CE1-CB 3.81Å; F687-N689 HydrophobicContact CZ-CB 4.29Å; N689-D691 PolarHBondContact O-N 2.81Å; N689-D691 PolarHBondContact OD1-N 3.17Å; N689-F692 HydrophobicContact CB-CB 4.06Å; N689-F692 PolarHBondContact OD1-N 3.29Å
690	P	82.8	Confident	68.9	Low	101 Å²	101	97.1 Å²	97.1	66%	0.656	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-22.8	176.9	32.1	-35.4	0	0	0	112.4	F688	F688-P690 WeakPolarHBondContact O-CD 3.23Å
691	D	80.5	Confident	67.9	Low	124 Å²	124	94.4 Å²	94.4	66%	0.663	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	13.4	-174.5	-51.7	-46.7	0	0	0	111.9	N689 A693	N689-D691 PolarHBondContact O-N 2.81Å; N689-D691 PolarHBondContact OD1-N 3.17Å; D691-A693 VanDerWaalsContact C-N 3.34Å; D691-A693 PolarHBondContact O-N 2.58Å
692	F	80	Confident	67	Low	47 Å²	47	96 Å²	96	21%	0.206	57%	0.565	C	S	.	*			trans	-69.8	93.9	171.6	-169.8	-89.3	0	0	0	108.7	F394 L432 Y433 E447 N689	F394-F692 HydrophobicContact CE1-CE1 4.1Å; F394-F692 HydrophobicContact CE1-CZ 4.14Å; L432-F692 WeakPolarHBondContact O-CD2 3.06Å; Y433-F692 HydrophobicContact CD2-CB 4.17Å; Y433-F692 AromaticContact CD2-CD1 3.62Å; Y433-F692 HydrophobicContact CD2-CD1 3.62Å; Y433-F692 HydrophobicContact CD2-CD2 4.48Å; Y433-F692 HydrophobicContact CD2-CE1 4.08Å; Y433-F692 AromaticContact CD2-CG 3.84Å; Y433-F692 HydrophobicContact CD2-CG 3.84Å; Y433-F692 HydrophobicContact CE2-CD1 4.49Å; Y433-F692 HydrophobicContact CG-CD1 4.4Å; Y433-F692 HydrophobicContact CG-CG 4.46Å; E447-F692 HydrophobicContact CB-CE2 4.26Å; E447-F692 HydrophobicContact CB-CZ 4.09Å; N689-F692 HydrophobicContact CB-CB 4.06Å; N689-F692 PolarHBondContact OD1-N 3.29Å
693	A	59	Low	65.8	Low	74 Å²	74	101.3 Å²	101.3	61%	0.612	60%	0.596	S	S	*	*			trans	-56.2	129.4	178.4	0	0	0	0	0	109.6	D691 L695	D691-A693 VanDerWaalsContact C-N 3.34Å; D691-A693 PolarHBondContact O-N 2.58Å; A693-L695 PolarHBondContact O-N 3.04Å
694	P	50	Low	64.5	Low	110 Å²	110	97.6 Å²	97.6	71%	0.714	59%	0.586	S	S	*	*			trans	-57.1	138.7	161.5	27.3	-32.8	0	0	0	107.4
695	L	45.4	Very low	63	Low	144 Å²	144	99.9 Å²	99.9	75%	0.754	58%	0.584	S	S	*	*			trans	-43.5	133.2	176.1	-79	159.4	0	0	0	109.4	A693 L697	A693-L695 PolarHBondContact O-N 3.04Å; L695-L697 PolarHBondContact O-N 2.9Å
696	P	34.6	Very low	61	Low	117 Å²	117	106.5 Å²	106.5	76%	0.76	62%	0.623	S	S	*	*			trans	-58.6	107.6	178	24.5	-32.7	0	0	0	108	T698	P696-T698 PolarHBondContact O-N 3.35Å
697	L	30.6	Very low	58.6	Low	169 Å²	169	109.7 Å²	109.7	89%	0.885	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-52.7	116.3	177.7	-80.2	165	0	0	0	107.3	L695 A699	L695-L697 PolarHBondContact O-N 2.9Å; L697-A699 PolarHBondContact O-N 3.08Å
698	T	28.6	Very low	55.9	Low	123 Å²	123	113.7 Å²	113.7	76%	0.755	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-54.4	117	-178.2	14.9	0	0	0	0	108.4	P696 I700	P696-T698 PolarHBondContact O-N 3.35Å; T698-I700 PolarHBondContact O-N 3.41Å
699	A	25.3	Very low	52.9	Low	100 Å²	100	114.7 Å²	114.7	83%	0.826	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-59.4	131.6	178.7	0	0	0	0	0	109.1	L697	L697-A699 PolarHBondContact O-N 3.08Å
700	I	29	Very low	49.6	Very low	239 Å²	239	122.5 Å²	122.5	100%	1.226	73%	0.732	S	S	*	*			trans	-69.1	0	-173.2	-57.2	166.1	0	0	0	110.8	T698	T698-I700 PolarHBondContact O-N 3.41Å

Retrieved 700 of 700 residues in 771.8 ms (Link to these results)

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