A0A077Z3R6_TRITR Loading...

F-box domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z3R6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 534 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	53.1	Low	77	Confident	223 Å²	223	119.7 Å²	119.7	100%	1.099	57%	0.567	S	S	*	*				0	125.3	0	-97.8	-175.7	-93.9	0	0	108.6
2	C	68.4	Low	77.7	Confident	88 Å²	88	113.3 Å²	113.3	60%	0.595	55%	0.549	S	S	*	.			trans	-70.8	137.4	176.9	-167.1	0	0	0	0	109.9	D4 A5	C2-D4 PolarHBondContact O-N 3.38Å; C2-D4 VanDerWaalsContact O-N 3.14Å; C2-A5 WeakPolarHBondContact O-CB 3.49Å; C2-A5 PolarHBondContact O-N 2.86Å
3	Y	65	Low	77.8	Confident	146 Å²	146	108.7 Å²	108.7	57%	0.573	54%	0.541	S	S	*	.	H	α-helix	trans	-54.3	-32.7	-176.3	176	-110.5	0	0	0	113.5	W6 K7	Y3-W6 HydrophobicContact CD2-CE3 4.4Å; Y3-W6 HydrophobicContact CE2-CE3 4.16Å; Y3-W6 HydrophobicContact CE2-CZ3 4.18Å; Y3-W6 PolarHBondContact O-N 3.36Å; Y3-K7 HydrophobicContact CE1-CD 4.13Å; Y3-K7 PolarHBondContact O-N 3.4Å; Y3-K7 VanDerWaalsContact O-N 3.13Å
4	D	77.6	Confident	78	Confident	97 Å²	97	112 Å²	112	52%	0.519	54%	0.544	S	S	.	.	H	α-helix	trans	-67	-37.1	178.7	-66.8	-40.3	0	0	0	112.8	C2 W6 K7 D8	C2-D4 PolarHBondContact O-N 3.38Å; C2-D4 VanDerWaalsContact O-N 3.14Å; D4-W6 VanDerWaalsContact C-N 3.34Å; D4-W6 PolarHBondContact O-N 3.29Å; D4-K7 WeakPolarHBondContact O-CB 3.44Å; D4-K7 PolarHBondContact O-N 3.29Å; D4-D8 PolarHBondContact O-N 2.99Å; D4-D8 VanDerWaalsContact O-N 3.11Å
5	A	75.2	Confident	78	Confident	57 Å²	57	117.3 Å²	117.3	47%	0.471	56%	0.556	S	S	.	*	H	α-helix	trans	-63.3	-40.3	176.4	0	0	0	0	0	111.8	C2 D8 E9	C2-A5 WeakPolarHBondContact O-CB 3.49Å; C2-A5 PolarHBondContact O-N 2.86Å; A5-D8 PolarHBondContact O-N 3.47Å; A5-E9 PolarHBondContact O-N 2.7Å; A5-E9 VanDerWaalsContact O-N 3.17Å
6	W	84.3	Confident	77.8	Confident	117 Å²	117	122.5 Å²	122.5	44%	0.443	57%	0.568	S	S	.	*	H	α-helix	trans	-65.4	-38.3	175.4	176.6	85.4	0	0	0	112.4	Y3 D4 D8 E9 R10	Y3-W6 HydrophobicContact CD2-CE3 4.4Å; Y3-W6 HydrophobicContact CE2-CE3 4.16Å; Y3-W6 HydrophobicContact CE2-CZ3 4.18Å; Y3-W6 PolarHBondContact O-N 3.36Å; D4-W6 VanDerWaalsContact C-N 3.34Å; D4-W6 PolarHBondContact O-N 3.29Å; W6-D8 VanDerWaalsContact C-N 3.32Å; W6-D8 PolarHBondContact O-N 3.15Å; W6-E9 PolarHBondContact O-N 3.31Å; W6-R10 PolarHBondContact O-N 3.27Å; W6-R10 VanDerWaalsContact O-N 3.08Å
7	K	76.7	Confident	77.2	Confident	89 Å²	89	124.1 Å²	124.1	39%	0.387	58%	0.576	S	S	.	*	H	α-helix	trans	-63.8	-38.4	178.3	-124.4	-179	-174.9	179.1	0	112	Y3 D4 R11	Y3-K7 HydrophobicContact CE1-CD 4.13Å; Y3-K7 PolarHBondContact O-N 3.4Å; Y3-K7 VanDerWaalsContact O-N 3.13Å; D4-K7 WeakPolarHBondContact O-CB 3.44Å; D4-K7 PolarHBondContact O-N 3.29Å; K7-R11 WeakPolarHBondContact O-CG 3.48Å; K7-R11 PolarHBondContact O-N 3Å; K7-R11 VanDerWaalsContact O-N 3.14Å
8	D	88.3	Confident	76.2	Confident	90 Å²	90	129.5 Å²	129.5	48%	0.481	59%	0.59	S	S	.	*	H	α-helix	trans	-74	-39	-179.4	-73.1	-11.2	0	0	0	112	D4 A5 W6 R10 R11 A12	D4-D8 PolarHBondContact O-N 2.99Å; D4-D8 VanDerWaalsContact O-N 3.11Å; A5-D8 PolarHBondContact O-N 3.47Å; W6-D8 VanDerWaalsContact C-N 3.32Å; W6-D8 PolarHBondContact O-N 3.15Å; D8-R10 PolarHBondContact O-N 3.04Å; D8-R11 PolarHBondContact O-N 3.07Å; D8-R11 IonicContact OD1-CZ 2.8Å; D8-R11 VanDerWaalsContact OD1-CZ 3.27Å; D8-R11 IonicContact OD1-NE 3.7Å; D8-R11 PolarHBondContact OD1-NE 3.23Å; D8-R11 IonicContact OD1-NH2 2.72Å; D8-R11 PolarHBondContact OD1-NH2 3.45Å; D8-A12 PolarHBondContact O-N 3Å
9	E	87.1	Confident	75.2	Confident	135 Å²	135	135 Å²	135	63%	0.631	61%	0.606	S	S	*	*	H	α-helix	trans	-61.9	-43.1	173.8	-161	175.2	-157	0	0	111.8	A5 W6 R11 A12 A13	A5-E9 PolarHBondContact O-N 2.7Å; A5-E9 VanDerWaalsContact O-N 3.17Å; W6-E9 PolarHBondContact O-N 3.31Å; E9-R11 VanDerWaalsContact C-N 3.34Å; E9-R11 PolarHBondContact O-N 3.17Å; E9-A12 PolarHBondContact O-N 2.82Å; E9-A13 PolarHBondContact O-N 3.35Å; E9-A13 VanDerWaalsContact O-N 3.09Å
10	R	84.6	Confident	74	Confident	136 Å²	136	133 Å²	133	51%	0.513	61%	0.609	S	S	.	*	H	α-helix	trans	-65.6	-33.7	175.3	-111.9	-159.9	168	167.2	0.3	113.6	W6 D8 R14	W6-R10 PolarHBondContact O-N 3.27Å; W6-R10 VanDerWaalsContact O-N 3.08Å; D8-R10 PolarHBondContact O-N 3.04Å; R10-R14 PolarHBondContact O-N 3.21Å
11	R	86.8	Confident	72.7	Confident	139 Å²	139	133.8 Å²	133.8	53%	0.525	62%	0.617	S	S	.	*	H	α-helix	trans	-67.2	-39.4	174.7	-83.9	-173.3	-89.3	-175.3	-3.1	111.4	K7 D8 E9 R15	K7-R11 WeakPolarHBondContact O-CG 3.48Å; K7-R11 PolarHBondContact O-N 3Å; K7-R11 VanDerWaalsContact O-N 3.14Å; D8-R11 PolarHBondContact O-N 3.07Å; D8-R11 IonicContact OD1-CZ 2.8Å; D8-R11 VanDerWaalsContact OD1-CZ 3.27Å; D8-R11 IonicContact OD1-NE 3.7Å; D8-R11 PolarHBondContact OD1-NE 3.23Å; D8-R11 IonicContact OD1-NH2 2.72Å; D8-R11 PolarHBondContact OD1-NH2 3.45Å; E9-R11 VanDerWaalsContact C-N 3.34Å; E9-R11 PolarHBondContact O-N 3.17Å; R11-R15 WeakPolarHBondContact O-CG 3.42Å; R11-R15 PolarHBondContact O-N 2.62Å
12	A	85.6	Confident	72.1	Confident	43 Å²	43	135 Å²	135	36%	0.355	61%	0.61	S	S	.	*	H	α-helix	trans	-65	-43.3	176.4	0	0	0	0	0	112.3	D8 E9 R14 R15 R16	D8-A12 PolarHBondContact O-N 3Å; E9-A12 PolarHBondContact O-N 2.82Å; A12-R14 PolarHBondContact O-N 2.99Å; A12-R15 PolarHBondContact O-N 2.86Å; A12-R16 PolarHBondContact O-N 3.29Å
13	A	79.1	Confident	71.2	Confident	53 Å²	53	138.1 Å²	138.1	44%	0.438	62%	0.618	S	S	.	*	H	α-helix	trans	-60.6	-45.4	178	0	0	0	0	0	112.9	E9 R15 R16 Q17	E9-A13 PolarHBondContact O-N 3.35Å; E9-A13 VanDerWaalsContact O-N 3.09Å; A13-R15 VanDerWaalsContact C-N 3.32Å; A13-R15 PolarHBondContact O-N 3.41Å; A13-R16 PolarHBondContact O-N 3.04Å; A13-Q17 PolarHBondContact O-N 3.12Å
14	R	79.7	Confident	70.2	Confident	155 Å²	155	140 Å²	140	59%	0.585	63%	0.632	S	S	*	*	H	α-helix	trans	-63.8	-34.8	177.8	-71.9	-179.7	-177.1	176.6	1.1	113.1	R10 A12 R16 Q17 R18	R10-R14 PolarHBondContact O-N 3.21Å; A12-R14 PolarHBondContact O-N 2.99Å; R14-R16 VanDerWaalsContact C-N 3.31Å; R14-Q17 PolarHBondContact O-N 3.24Å; R14-R18 PolarHBondContact O-N 2.76Å
15	R	78.6	Confident	68.6	Low	192 Å²	192	144 Å²	144	73%	0.725	65%	0.648	S	S	*	*	H	α-helix	trans	-66.1	-33.4	176.1	-76.4	178.6	176.9	177.1	-1.2	112.1	R11 A12 A13	R11-R15 WeakPolarHBondContact O-CG 3.42Å; R11-R15 PolarHBondContact O-N 2.62Å; A12-R15 PolarHBondContact O-N 2.86Å; A13-R15 VanDerWaalsContact C-N 3.32Å; A13-R15 PolarHBondContact O-N 3.41Å
16	R	74.6	Confident	67.3	Low	200 Å²	200	146.6 Å²	146.6	76%	0.755	66%	0.66	S	S	*	*	H	α-helix	trans	-69	-42	175.1	-66.3	178.8	-171.7	160.4	2.8	111.8	A12 A13 R14 R18 R19	A12-R16 PolarHBondContact O-N 3.29Å; A13-R16 PolarHBondContact O-N 3.04Å; R14-R16 VanDerWaalsContact C-N 3.31Å; R16-R18 PolarHBondContact O-N 3Å; R16-R19 PolarHBondContact O-N 3.3Å
17	Q	67.7	Low	65.7	Low	150 Å²	150	147.2 Å²	147.2	70%	0.701	68%	0.679	S	S	*	*	H	α-helix	trans	-63.2	-41.4	178.7	-106.6	175.9	-12.6	0	0	113.5	A13 R14 R19 S20	A13-Q17 PolarHBondContact O-N 3.12Å; R14-Q17 PolarHBondContact O-N 3.24Å; Q17-R19 PolarHBondContact O-N 2.83Å; Q17-S20 PolarHBondContact O-N 3.35Å; Q17-S20 PolarHBondContact O-OG 3.29Å; Q17-S20 VanDerWaalsContact O-OG 3.13Å
18	R	58.6	Low	64.3	Low	221 Å²	221	149 Å²	149	83%	0.834	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-64.4	-18.6	-176.9	-79.9	-174	172.6	-171.3	-3.1	115	R14 R16 S20	R14-R18 PolarHBondContact O-N 2.76Å; R16-R18 PolarHBondContact O-N 3Å; R18-S20 VanDerWaalsContact C-N 3.26Å; R18-S20 PolarHBondContact O-N 2.95Å
19	R	56.9	Low	62.6	Low	234 Å²	234	148.1 Å²	148.1	88%	0.883	70%	0.701	S	S	*	*	G	3₁₀ helix	trans	-75.6	-5.8	-179.5	-80	-173.9	172.8	-178	-2.7	114.6	R16 Q17	R16-R19 PolarHBondContact O-N 3.3Å; Q17-R19 PolarHBondContact O-N 2.83Å
20	S	51.5	Low	61.3	Low	95 Å²	95	151 Å²	151	66%	0.664	71%	0.707	S	S	*	*	G	3₁₀ helix	trans	-105.7	-1.2	-171.8	66	0	0	0	0	117	Q17 R18	Q17-S20 PolarHBondContact O-N 3.35Å; Q17-S20 PolarHBondContact O-OG 3.29Å; Q17-S20 VanDerWaalsContact O-OG 3.13Å; R18-S20 VanDerWaalsContact C-N 3.26Å; R18-S20 PolarHBondContact O-N 2.95Å
21	L	46.4	Very low	60.1	Low	149 Å²	149	148.5 Å²	148.5	78%	0.78	70%	0.703	S	S	*	*			trans	-110.3	97.1	179.9	-71	165.2	0	0	0	110.8
22	R	42.3	Very low	58.8	Low	250 Å²	250	148 Å²	148	94%	0.943	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-78.6	118.8	162.1	-88.3	-174.5	172.3	-176.3	-2.1	108.1
23	I	48.2	Very low	57.9	Low	152 Å²	152	150.6 Å²	150.6	78%	0.779	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-98.4	120	169.7	-61.5	172.2	0	0	0	106.1
24	E	43.6	Very low	57.4	Low	186 Å²	186	150.3 Å²	150.3	87%	0.869	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-80.4	121.6	173.3	-72.7	-175.8	164.6	0	0	109.6
25	E	44.9	Very low	57.2	Low	182 Å²	182	146.4 Å²	146.4	85%	0.85	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-81.8	128.6	179	-72.9	-177.3	160.8	0	0	111
26	P	47.1	Very low	56.9	Low	111 Å²	111	142.3 Å²	142.3	72%	0.721	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-74.2	149.1	178	28.5	-32.9	0	0	0	112.4	C28	P26-C28 PolarHBondContact O-N 2.94Å
27	P	51.8	Low	56.9	Low	130 Å²	130	139.4 Å²	139.4	84%	0.844	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-66.6	127.1	-175.8	23.5	-31.1	0	0	0	112.8
28	C	47.2	Very low	57.4	Low	125 Å²	125	135.3 Å²	135.3	85%	0.845	68%	0.679	S	S	*	*	S	Bend	trans	-70.1	152	-180	-91.8	0	0	0	0	114	P26	P26-C28 PolarHBondContact O-N 2.94Å
29	P	51.3	Low	58.4	Low	73 Å²	73	125.1 Å²	125.1	47%	0.474	64%	0.641	S	S	.	*			cis	-121.6	111.3	-6	32.1	-13.1	0	0	0	113.5	I31 Q32	P29-I31 VanDerWaalsContact C-N 3.26Å; P29-I31 PolarHBondContact O-N 3.23Å; P29-Q32 HydrophobicContact CG-CG 4.46Å; P29-Q32 PolarHBondContact O-N 3.47Å
30	Y	60	Low	59.5	Low	195 Å²	195	116.6 Å²	116.6	77%	0.765	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-47.9	-29.7	-178	-172.9	-100.3	0	0	0	116.9	S33	Y30-S33 PolarHBondContact O-OG 2.79Å
31	I	59.9	Low	60.9	Low	83 Å²	83	115.9 Å²	115.9	43%	0.426	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77	-25.1	-174	-64.9	174.7	0	0	0	112.5	P29 V57 N58 F61	P29-I31 VanDerWaalsContact C-N 3.26Å; P29-I31 PolarHBondContact O-N 3.23Å; I31-V57 HydrophobicContact CG2-CG1 3.7Å; I31-N58 PolarHBondContact O-ND2 3.34Å; I31-F61 HydrophobicContact CG2-CE2 4.02Å
32	Q	59.5	Low	62.7	Low	130 Å²	130	110.9 Å²	110.9	61%	0.607	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-22.9	-178.8	-69.1	-175.7	-12	0	0	113.3	P29	P29-Q32 HydrophobicContact CG-CG 4.46Å; P29-Q32 PolarHBondContact O-N 3.47Å
33	S	67.6	Low	64.6	Low	96 Å²	96	99.1 Å²	99.1	67%	0.671	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	11.1	-179.3	50.5	0	0	0	0	113.7	Y30	Y30-S33 PolarHBondContact O-OG 2.79Å
34	M	69	Low	66.2	Low	48 Å²	48	98.5 Å²	98.5	24%	0.236	52%	0.52	C	S	.	.			trans	-68.2	130.7	-177.6	-173.8	178.7	-69.2	0	0	111.7	V38 I42	M34-V38 HydrophobicContact CE-CG1 4.49Å; M34-V38 HydrophobicContact CG-CB 3.82Å; M34-V38 HydrophobicContact CG-CG1 3.92Å; M34-V38 HydrophobicContact SD-CB 4.11Å; M34-V38 HydrophobicContact SD-CG1 3.73Å; M34-I42 HydrophobicContact CE-CD1 3.76Å; M34-I42 HydrophobicContact SD-CD1 3.39Å; M34-I42 WeakPolarHBondContact SD-CD1 3.47Å
35	P	74.1	Confident	68.1	Low	72 Å²	72	99.4 Å²	99.4	47%	0.468	52%	0.515	S	S	.	.			trans	-59.1	144.5	173.4	-21.8	32.1	0	0	0	112.1	E37 V38 L39	P35-E37 WeakPolarHBondContact CB-OE2 3.06Å; P35-E37 PolarHBondContact O-N 2.98Å; P35-V38 HydrophobicContact CB-CG2 4.23Å; P35-V38 HydrophobicContact CG-CG2 4.3Å; P35-V38 PolarHBondContact O-N 3.12Å; P35-V38 VanDerWaalsContact O-N 3.1Å; P35-L39 PolarHBondContact O-N 3.48Å
36	L	72.2	Confident	70	Confident	106 Å²	106	92.8 Å²	92.8	56%	0.555	49%	0.485	S	S	*	.	H	α-helix	trans	-62	-28.3	-177.2	-70.5	172.9	0	0	0	112.5	V38 L39 D40 F60	L36-V38 VanDerWaalsContact C-N 3.33Å; L36-V38 PolarHBondContact O-N 3.1Å; L36-L39 HydrophobicContact CD2-CD2 4.42Å; L36-L39 WeakPolarHBondContact O-CB 3.35Å; L36-L39 PolarHBondContact O-N 3.43Å; L36-D40 PolarHBondContact O-N 3.46Å; L36-F60 HydrophobicContact CD2-CD1 4.12Å
37	E	75.7	Confident	71.9	Confident	139 Å²	139	93.3 Å²	93.3	65%	0.65	48%	0.482	S	S	*	.	H	α-helix	trans	-65.8	-37.4	177.5	-57.6	75.5	-165.1	0	0	111.4	P35 L39 D40 E41	P35-E37 WeakPolarHBondContact CB-OE2 3.06Å; P35-E37 PolarHBondContact O-N 2.98Å; E37-L39 VanDerWaalsContact C-N 3.35Å; E37-D40 PolarHBondContact O-N 3.06Å; E37-E41 PolarHBondContact O-N 2.82Å
38	V	78.7	Confident	73.5	Confident	65 Å²	65	90.3 Å²	90.3	39%	0.394	46%	0.456	S	S	.	.	H	α-helix	trans	-70.2	-36.9	177.3	-178	0	0	0	0	110.2	M34 P35 L36 D40 E41 I42	M34-V38 HydrophobicContact CE-CG1 4.49Å; M34-V38 HydrophobicContact CG-CB 3.82Å; M34-V38 HydrophobicContact CG-CG1 3.92Å; M34-V38 HydrophobicContact SD-CB 4.11Å; M34-V38 HydrophobicContact SD-CG1 3.73Å; P35-V38 HydrophobicContact CB-CG2 4.23Å; P35-V38 HydrophobicContact CG-CG2 4.3Å; P35-V38 PolarHBondContact O-N 3.12Å; P35-V38 VanDerWaalsContact O-N 3.1Å; L36-V38 VanDerWaalsContact C-N 3.33Å; L36-V38 PolarHBondContact O-N 3.1Å; V38-D40 VanDerWaalsContact C-N 3.31Å; V38-D40 PolarHBondContact O-N 3.21Å; V38-E41 PolarHBondContact O-N 2.89Å; V38-I42 HydrophobicContact CG1-CD1 3.99Å; V38-I42 HydrophobicContact CG1-CG1 4.37Å; V38-I42 VanDerWaalsContact O-CG1 3.29Å; V38-I42 WeakPolarHBondContact O-CG1 3.41Å; V38-I42 PolarHBondContact O-N 2.87Å
39	L	79.5	Confident	75.4	Confident	7 Å²	7	87.4 Å²	87.4	4%	0.037	44%	0.437	C	S	.	.	H	α-helix	trans	-59.4	-43.2	174.9	177.2	63	0	0	0	111.3	P35 L36 E37 E41 I42 M43 F60 F61 E64	P35-L39 PolarHBondContact O-N 3.48Å; L36-L39 HydrophobicContact CD2-CD2 4.42Å; L36-L39 WeakPolarHBondContact O-CB 3.35Å; L36-L39 PolarHBondContact O-N 3.43Å; E37-L39 VanDerWaalsContact C-N 3.35Å; L39-E41 PolarHBondContact O-N 3.34Å; L39-I42 PolarHBondContact O-N 2.69Å; L39-M43 HydrophobicContact CD1-CG 4.22Å; L39-M43 WeakPolarHBondContact O-CB 3.5Å; L39-M43 VanDerWaalsContact O-CG 3.25Å; L39-M43 WeakPolarHBondContact O-CG 3.34Å; L39-M43 PolarHBondContact O-N 3.19Å; L39-F60 HydrophobicContact CD2-CB 4.22Å; L39-F61 HydrophobicContact CD1-CD1 3.27Å; L39-F61 HydrophobicContact CD1-CD2 4.1Å; L39-F61 HydrophobicContact CD1-CE1 3.08Å; L39-F61 HydrophobicContact CD1-CE2 3.97Å; L39-F61 HydrophobicContact CD1-CG 3.77Å; L39-F61 HydrophobicContact CD1-CZ 3.47Å; L39-F61 VanDerWaalsContact CD1-CZ 3.47Å; L39-E64 HydrophobicContact CD2-CB 3.7Å; L39-E64 HydrophobicContact CD2-CG 4.11Å; L39-E64 HydrophobicContact CG-CB 4.23Å; L39-E64 HydrophobicContact CG-CG 4.16Å
40	D	79.3	Confident	77.1	Confident	54 Å²	54	85.5 Å²	85.5	29%	0.289	43%	0.428	S	S	.	.	H	α-helix	trans	-63.4	-40	177.7	-97.7	-27.6	0	0	0	113	L36 E37 V38 M43 K44 R68	L36-D40 PolarHBondContact O-N 3.46Å; E37-D40 PolarHBondContact O-N 3.06Å; V38-D40 VanDerWaalsContact C-N 3.31Å; V38-D40 PolarHBondContact O-N 3.21Å; D40-M43 PolarHBondContact O-N 3.11Å; D40-K44 WeakPolarHBondContact O-CG 3.48Å; D40-K44 PolarHBondContact O-N 3.3Å; D40-R68 PolarHBondContact O-NH2 3.49Å; D40-R68 IonicContact OD1-CZ 3.96Å; D40-R68 IonicContact OD1-NH2 3.33Å; D40-R68 PolarHBondContact OD1-NH2 2.8Å
41	E	81.6	Confident	78.5	Confident	80 Å²	80	77.1 Å²	77.1	37%	0.374	40%	0.395	S	S	.	.	H	α-helix	trans	-67.1	-40.9	174.9	-76.5	-57.1	127.3	0	0	112.7	E37 V38 L39 M43 K44 R45	E37-E41 PolarHBondContact O-N 2.82Å; V38-E41 PolarHBondContact O-N 2.89Å; L39-E41 PolarHBondContact O-N 3.34Å; E41-M43 VanDerWaalsContact C-N 3.33Å; E41-M43 PolarHBondContact O-N 2.84Å; E41-K44 PolarHBondContact O-N 3.46Å; E41-K44 IonicContact OE1-NZ 3.97Å; E41-K44 PolarHBondContact OE1-NZ 3.07Å; E41-R45 WeakPolarHBondContact O-CG 3.46Å; E41-R45 PolarHBondContact O-N 3.31Å
42	I	82.7	Confident	79.7	Confident	45 Å²	45	74.7 Å²	74.7	23%	0.231	38%	0.382	C	S	.	.	H	α-helix	trans	-59.1	-48.7	172.8	-71.8	169.9	0	0	0	109.5	M34 V38 L39 K44 R45 I46 F61	M34-I42 HydrophobicContact CE-CD1 3.76Å; M34-I42 HydrophobicContact SD-CD1 3.39Å; M34-I42 WeakPolarHBondContact SD-CD1 3.47Å; V38-I42 HydrophobicContact CG1-CD1 3.99Å; V38-I42 HydrophobicContact CG1-CG1 4.37Å; V38-I42 VanDerWaalsContact O-CG1 3.29Å; V38-I42 WeakPolarHBondContact O-CG1 3.41Å; V38-I42 PolarHBondContact O-N 2.87Å; L39-I42 PolarHBondContact O-N 2.69Å; I42-K44 VanDerWaalsContact C-N 3.25Å; I42-K44 PolarHBondContact O-N 2.95Å; I42-R45 PolarHBondContact O-N 2.8Å; I42-I46 HydrophobicContact CG2-CD1 3.34Å; I42-I46 HydrophobicContact CG2-CG1 4.08Å; I42-I46 WeakPolarHBondContact O-CG1 3.17Å; I42-I46 PolarHBondContact O-N 2.9Å; I42-I46 VanDerWaalsContact O-N 3.13Å; I42-F61 HydrophobicContact CD1-CZ 4.49Å; I42-F61 HydrophobicContact CG2-CE1 4.12Å; I42-F61 HydrophobicContact CG2-CZ 4.48Å
43	M	82.2	Confident	80.9	Confident	2 Å²	2	72.3 Å²	72.3	1%	0.01	38%	0.38	C	S	.	.	H	α-helix	trans	-66.8	-22.6	-178.1	-71	-58.4	-57.2	0	0	113.7	L39 D40 E41 R45 W51 F61 E64 I65 R68	L39-M43 HydrophobicContact CD1-CG 4.22Å; L39-M43 WeakPolarHBondContact O-CB 3.5Å; L39-M43 VanDerWaalsContact O-CG 3.25Å; L39-M43 WeakPolarHBondContact O-CG 3.34Å; L39-M43 PolarHBondContact O-N 3.19Å; D40-M43 PolarHBondContact O-N 3.11Å; E41-M43 VanDerWaalsContact C-N 3.33Å; E41-M43 PolarHBondContact O-N 2.84Å; M43-R45 VanDerWaalsContact C-N 3.35Å; M43-W51 HydrophobicContact CE-CD2 4.14Å; M43-W51 HydrophobicContact CE-CG 4.1Å; M43-F61 HydrophobicContact SD-CD1 4.25Å; M43-F61 HydrophobicContact SD-CE1 4.47Å; M43-E64 HydrophobicContact CG-CG 4.07Å; M43-I65 HydrophobicContact CE-CD1 4.38Å; M43-I65 HydrophobicContact CE-CG1 3.5Å; M43-I65 VanDerWaalsContact CE-CG1 3.5Å; M43-I65 HydrophobicContact SD-CD1 4.48Å; M43-I65 HydrophobicContact SD-CG1 4.04Å; M43-R68 PolarHBondContact O-NH1 2.98Å
44	K	82.5	Confident	81.7	Confident	140 Å²	140	69.6 Å²	69.6	61%	0.609	36%	0.357	S	S	*	.	H	α-helix	trans	-72.3	-26.9	170.6	-75.2	173.6	-170.9	169.7	0	113.1	D40 E41 I42	D40-K44 WeakPolarHBondContact O-CG 3.48Å; D40-K44 PolarHBondContact O-N 3.3Å; E41-K44 PolarHBondContact O-N 3.46Å; E41-K44 IonicContact OE1-NZ 3.97Å; E41-K44 PolarHBondContact OE1-NZ 3.07Å; I42-K44 VanDerWaalsContact C-N 3.25Å; I42-K44 PolarHBondContact O-N 2.95Å
45	R	84.5	Confident	82.3	Confident	204 Å²	204	69.1 Å²	69.1	77%	0.77	35%	0.353	S	S	*	.	H	α-helix	trans	-98.6	-11.6	-174.8	-63.9	179.6	-174	-157	1.2	113.7	E41 I42 M43	E41-R45 WeakPolarHBondContact O-CG 3.46Å; E41-R45 PolarHBondContact O-N 3.31Å; I42-R45 PolarHBondContact O-N 2.8Å; M43-R45 VanDerWaalsContact C-N 3.35Å
46	I	84	Confident	82.6	Confident	43 Å²	43	70.2 Å²	70.2	22%	0.221	36%	0.362	C	S	.	.	S	Bend	trans	-93.3	129.6	-179	-69.4	-179.5	0	0	0	110.3	I42 A50 W51 M54	I42-I46 HydrophobicContact CG2-CD1 3.34Å; I42-I46 HydrophobicContact CG2-CG1 4.08Å; I42-I46 WeakPolarHBondContact O-CG1 3.17Å; I42-I46 PolarHBondContact O-N 2.9Å; I42-I46 VanDerWaalsContact O-N 3.13Å; I46-A50 HydrophobicContact CG2-CB 3.46Å; I46-A50 VanDerWaalsContact CG2-CB 3.46Å; I46-W51 PolarHBondContact O-NE1 3.48Å; I46-M54 HydrophobicContact CD1-CE 3.88Å; I46-M54 HydrophobicContact CD1-CG 3.84Å; I46-M54 HydrophobicContact CD1-SD 3.92Å; I46-M54 HydrophobicContact CG2-CG 4.37Å
47	D	85.8	Confident	83	Confident	122 Å²	122	68.3 Å²	68.3	65%	0.652	36%	0.355	S	S	*	.			trans	-59.8	147.2	173.5	-65.4	-35.1	0	0	0	112.2	S49 A50 W51	D47-S49 PolarHBondContact O-N 2.84Å; D47-S49 VanDerWaalsContact O-N 3.1Å; D47-A50 PolarHBondContact O-N 2.87Å; D47-W51 VanDerWaalsContact O-CD1 3.23Å
48	K	86.7	Confident	83.3	Confident	67 Å²	67	62.6 Å²	62.6	29%	0.291	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-53.3	-33.4	179.2	-73.4	174.8	-179.8	175.6	0	113.1	A50 W51 E79 F80	K48-A50 PolarHBondContact O-N 2.78Å; K48-W51 HydrophobicContact CG-CZ2 4.14Å; K48-W51 WeakPolarHBondContact O-CB 3.41Å; K48-W51 PolarHBondContact O-N 3.01Å; K48-E79 CarbonylContact C-O 3.54Å; K48-E79 HydrophobicContact CB-CB 4.32Å; K48-E79 WeakPolarHBondContact CB-O 3.48Å; K48-E79 HydrophobicContact CD-CB 3.88Å; K48-E79 HydrophobicContact CD-CG 4.43Å; K48-E79 WeakPolarHBondContact CD-OE2 3.5Å; K48-E79 IonicContact NZ-OE1 3.89Å; K48-E79 PolarHBondContact NZ-OE1 3.43Å; K48-E79 IonicContact NZ-OE2 3.31Å; K48-E79 PolarHBondContact NZ-OE2 3.06Å; K48-F80 HydrophobicContact CB-CD1 3.87Å; K48-F80 HydrophobicContact CB-CE1 3.72Å; K48-F80 HydrophobicContact CB-CZ 4.26Å; K48-F80 HydrophobicContact CD-CE1 4.09Å; K48-F80 HydrophobicContact CD-CE2 4.38Å; K48-F80 HydrophobicContact CD-CZ 3.82Å; K48-F80 HydrophobicContact CG-CE1 3.92Å; K48-F80 HydrophobicContact CG-CZ 4.18Å; K48-F80 WeakPolarHBondContact O-CD1 3.42Å
49	S	87	Confident	83.6	Confident	65 Å²	65	63 Å²	63	46%	0.455	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-62.1	-28.5	178	61.1	0	0	0	0	113.5	D47 E79	D47-S49 PolarHBondContact O-N 2.84Å; D47-S49 VanDerWaalsContact O-N 3.1Å; S49-E79 PolarHBondContact N-O 3.31Å
50	A	87	Confident	83.9	Confident	33 Å²	33	67.6 Å²	67.6	27%	0.273	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-88.2	-9.7	179.6	0	0	0	0	0	113.3	I46 D47 K48 L52 S53 M54	I46-A50 HydrophobicContact CG2-CB 3.46Å; I46-A50 VanDerWaalsContact CG2-CB 3.46Å; D47-A50 PolarHBondContact O-N 2.87Å; K48-A50 PolarHBondContact O-N 2.78Å; A50-L52 VanDerWaalsContact C-N 3.27Å; A50-L52 PolarHBondContact O-N 3.09Å; A50-S53 PolarHBondContact O-N 3.43Å; A50-S53 VanDerWaalsContact O-N 3.13Å; A50-M54 WeakPolarHBondContact O-CG 3.46Å; A50-M54 PolarHBondContact O-N 2.67Å
51	W	88.7	Confident	84.2	Confident	18 Å²	18	65.3 Å²	65.3	7%	0.068	34%	0.342	C	S	.	.	H	α-helix	trans	-58.9	-37.8	-177.7	-71.9	15.9	0	0	0	112.4	M43 I46 D47 K48 M54 R55 I65 R68 F69 L72 F80	M43-W51 HydrophobicContact CE-CD2 4.14Å; M43-W51 HydrophobicContact CE-CG 4.1Å; I46-W51 PolarHBondContact O-NE1 3.48Å; D47-W51 VanDerWaalsContact O-CD1 3.23Å; K48-W51 HydrophobicContact CG-CZ2 4.14Å; K48-W51 WeakPolarHBondContact O-CB 3.41Å; K48-W51 PolarHBondContact O-N 3.01Å; W51-M54 PolarHBondContact O-N 3.1Å; W51-R55 PolarHBondContact O-N 3.15Å; W51-I65 HydrophobicContact CB-CG2 4.35Å; W51-I65 WeakPolarHBondContact O-CD1 3.3Å; W51-R68 HydrophobicContact CH2-CB 3.89Å; W51-R68 HydrophobicContact CZ3-CB 3.87Å; W51-F69 HydrophobicContact CE3-CD1 4.21Å; W51-F69 AromaticContact CE3-CE1 3.79Å; W51-F69 HydrophobicContact CE3-CE1 3.79Å; W51-F69 HydrophobicContact CE3-CZ 4.06Å; W51-F69 HydrophobicContact CZ3-CD1 4.18Å; W51-F69 HydrophobicContact CZ3-CE1 4.17Å; W51-L72 HydrophobicContact CZ3-CD1 4.33Å; W51-F80 HydrophobicContact CD2-CE1 4.41Å; W51-F80 AromaticContact CE3-CE1 3.84Å; W51-F80 HydrophobicContact CE3-CE1 3.84Å; W51-F80 HydrophobicContact CZ3-CE1 4.06Å
52	L	85.4	Confident	84.5	Confident	32 Å²	32	67.2 Å²	67.2	17%	0.168	35%	0.346	C	S	.	.	H	α-helix	trans	-66	-40.8	178	-72.7	-179.3	0	0	0	112.8	A50 R55 L81 P92 L95 I96	A50-L52 VanDerWaalsContact C-N 3.27Å; A50-L52 PolarHBondContact O-N 3.09Å; L52-R55 WeakPolarHBondContact O-CB 3.46Å; L52-R55 PolarHBondContact O-N 3.05Å; L52-L81 HydrophobicContact CD1-CD2 3.45Å; L52-L81 VanDerWaalsContact CD1-CD2 3.45Å; L52-L81 HydrophobicContact CD1-CG 4.4Å; L52-P92 HydrophobicContact CD1-CB 3.78Å; L52-L95 HydrophobicContact CD2-CD2 3.99Å; L52-I96 HydrophobicContact CD1-CD1 4.02Å; L52-I96 HydrophobicContact CD1-CG1 4.31Å; L52-I96 HydrophobicContact CD2-CG1 3.98Å; L52-I96 HydrophobicContact CG-CG1 4.44Å
53	S	85.3	Confident	84.8	Confident	81 Å²	81	68 Å²	68	57%	0.566	36%	0.359	S	S	*	.	H	α-helix	trans	-65.6	-42.2	174.8	-57.2	0	0	0	0	110.9	A50 R55 S56	A50-S53 PolarHBondContact O-N 3.43Å; A50-S53 VanDerWaalsContact O-N 3.13Å; S53-R55 PolarHBondContact O-N 3.41Å; S53-S56 PolarHBondContact O-N 2.95Å; S53-S56 VanDerWaalsContact O-N 3.17Å; S53-S56 PolarHBondContact O-OG 3.49Å
54	M	84	Confident	85.1	Confident	39 Å²	39	69 Å²	69	19%	0.192	36%	0.364	C	S	.	.	H	α-helix	trans	-64.1	-29.4	178.4	-68.2	-54.1	-65.2	0	0	112.7	I46 A50 W51 S56 V57 F61 I65	I46-M54 HydrophobicContact CD1-CE 3.88Å; I46-M54 HydrophobicContact CD1-CG 3.84Å; I46-M54 HydrophobicContact CD1-SD 3.92Å; I46-M54 HydrophobicContact CG2-CG 4.37Å; A50-M54 WeakPolarHBondContact O-CG 3.46Å; A50-M54 PolarHBondContact O-N 2.67Å; W51-M54 PolarHBondContact O-N 3.1Å; M54-S56 PolarHBondContact O-N 3.4Å; M54-V57 HydrophobicContact CE-CG2 4.16Å; M54-V57 VanDerWaalsContact O-CB 3.31Å; M54-V57 WeakPolarHBondContact O-CB 3.4Å; M54-V57 WeakPolarHBondContact O-CG2 3.49Å; M54-V57 PolarHBondContact O-N 3.22Å; M54-V57 VanDerWaalsContact O-N 3.1Å; M54-V57 HydrophobicContact SD-CG2 4.21Å; M54-F61 HydrophobicContact CB-CD1 4.15Å; M54-F61 HydrophobicContact CE-CD1 3.49Å; M54-F61 VanDerWaalsContact CE-CD1 3.49Å; M54-F61 HydrophobicContact CE-CE1 3.03Å; M54-F61 HydrophobicContact CE-CE2 4.22Å; M54-F61 HydrophobicContact CE-CG 4.27Å; M54-F61 HydrophobicContact CE-CZ 3.46Å; M54-F61 VanDerWaalsContact CE-CZ 3.46Å; M54-F61 WeakPolarHBondContact O-CB 3.47Å; M54-I65 HydrophobicContact CB-CD1 3.72Å
55	R	81.8	Confident	85.4	Confident	38 Å²	38	62.3 Å²	62.3	14%	0.143	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.9	177.4	-161.5	-177.5	172.9	148	7.5	113.5	W51 L52 S53 R62 I65 N99	W51-R55 PolarHBondContact O-N 3.15Å; L52-R55 WeakPolarHBondContact O-CB 3.46Å; L52-R55 PolarHBondContact O-N 3.05Å; S53-R55 PolarHBondContact O-N 3.41Å; R55-R62 HydrophobicContact CG-CB 4.02Å; R55-R62 HydrophobicContact CG-CG 3.76Å; R55-I65 HydrophobicContact CB-CD1 3.87Å; R55-I65 HydrophobicContact CG-CD1 4.49Å; R55-I65 VanDerWaalsContact N-CD1 3.3Å; R55-N99 PolarHBondContact NH1-ND2 3.01Å; R55-N99 PolarHBondContact NH2-OD1 3.44Å
56	S	80.8	Confident	85.7	Confident	95 Å²	95	53.6 Å²	53.6	66%	0.664	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-13.2	178.2	71.2	0	0	0	0	113.3	S53 M54	S53-S56 PolarHBondContact O-N 2.95Å; S53-S56 VanDerWaalsContact O-N 3.17Å; S53-S56 PolarHBondContact O-OG 3.49Å; M54-S56 PolarHBondContact O-N 3.4Å
57	V	80.8	Confident	86	Confident	65 Å²	65	56.9 Å²	56.9	39%	0.394	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-55	-174.5	176.1	0	0	0	0	111.9	I31 M54 F61	I31-V57 HydrophobicContact CG2-CG1 3.7Å; M54-V57 HydrophobicContact CE-CG2 4.16Å; M54-V57 VanDerWaalsContact O-CB 3.31Å; M54-V57 WeakPolarHBondContact O-CB 3.4Å; M54-V57 WeakPolarHBondContact O-CG2 3.49Å; M54-V57 PolarHBondContact O-N 3.22Å; M54-V57 VanDerWaalsContact O-N 3.1Å; M54-V57 HydrophobicContact SD-CG2 4.21Å; V57-F61 HydrophobicContact CB-CB 4.49Å; V57-F61 HydrophobicContact CB-CD2 3.88Å; V57-F61 HydrophobicContact CB-CE2 4.44Å; V57-F61 HydrophobicContact CB-CG 4.26Å; V57-F61 HydrophobicContact CG1-CD2 3.68Å; V57-F61 HydrophobicContact CG1-CE2 3.86Å
58	N	80.8	Confident	86.3	Confident	19 Å²	19	53.2 Å²	53.2	10%	0.102	29%	0.294	C	S	.	.			trans	-161.6	-178.3	174	66.2	32.3	0	0	0	111.7	I31 F60 F61 R62	I31-N58 PolarHBondContact O-ND2 3.34Å; N58-F60 PolarHBondContact O-N 3.08Å; N58-F60 WeakPolarHBondContact OD1-CA 3.49Å; N58-F60 WeakPolarHBondContact OD1-CB 3.48Å; N58-F60 PolarHBondContact OD1-N 3.29Å; N58-F61 WeakPolarHBondContact OD1-CD2 3.16Å; N58-F61 PolarHBondContact OD1-N 3.29Å; N58-R62 WeakPolarHBondContact O-CB 3.25Å; N58-R62 PolarHBondContact O-N 3.06Å
59	S	85.3	Confident	86.6	Confident	74 Å²	74	50 Å²	50	52%	0.517	28%	0.28	S	S	.	.	H	α-helix	trans	-64.3	-33.2	178.5	49	0	0	0	0	113.9	R62 A63	S59-R62 WeakPolarHBondContact O-CB 3.29Å; S59-R62 PolarHBondContact O-N 3.24Å; S59-A63 PolarHBondContact O-N 3.49Å
60	F	85.7	Confident	86.9	Confident	103 Å²	103	53.4 Å²	53.4	45%	0.452	28%	0.283	S	S	.	.	H	α-helix	trans	-68.4	-51.1	179.3	-63.7	-72.5	0	0	0	111.9	L36 L39 N58 R62 A63 E64	L36-F60 HydrophobicContact CD2-CD1 4.12Å; L39-F60 HydrophobicContact CD2-CB 4.22Å; N58-F60 PolarHBondContact O-N 3.08Å; N58-F60 WeakPolarHBondContact OD1-CA 3.49Å; N58-F60 WeakPolarHBondContact OD1-CB 3.48Å; N58-F60 PolarHBondContact OD1-N 3.29Å; F60-R62 PolarHBondContact O-N 3.38Å; F60-A63 PolarHBondContact O-N 2.59Å; F60-A63 VanDerWaalsContact O-N 3.12Å; F60-E64 PolarHBondContact O-N 3.05Å
61	F	86.5	Confident	87.1	Confident	7 Å²	7	56.5 Å²	56.5	3%	0.031	30%	0.298	C	S	.	.	H	α-helix	trans	-55.2	-43.2	173	-83.3	-80.9	0	0	0	110.8	I31 L39 I42 M43 M54 V57 N58 A63 E64 I65	I31-F61 HydrophobicContact CG2-CE2 4.02Å; L39-F61 HydrophobicContact CD1-CD1 3.27Å; L39-F61 HydrophobicContact CD1-CD2 4.1Å; L39-F61 HydrophobicContact CD1-CE1 3.08Å; L39-F61 HydrophobicContact CD1-CE2 3.97Å; L39-F61 HydrophobicContact CD1-CG 3.77Å; L39-F61 HydrophobicContact CD1-CZ 3.47Å; L39-F61 VanDerWaalsContact CD1-CZ 3.47Å; I42-F61 HydrophobicContact CD1-CZ 4.49Å; I42-F61 HydrophobicContact CG2-CE1 4.12Å; I42-F61 HydrophobicContact CG2-CZ 4.48Å; M43-F61 HydrophobicContact SD-CD1 4.25Å; M43-F61 HydrophobicContact SD-CE1 4.47Å; M54-F61 HydrophobicContact CB-CD1 4.15Å; M54-F61 HydrophobicContact CE-CD1 3.49Å; M54-F61 VanDerWaalsContact CE-CD1 3.49Å; M54-F61 HydrophobicContact CE-CE1 3.03Å; M54-F61 HydrophobicContact CE-CE2 4.22Å; M54-F61 HydrophobicContact CE-CG 4.27Å; M54-F61 HydrophobicContact CE-CZ 3.46Å; M54-F61 VanDerWaalsContact CE-CZ 3.46Å; M54-F61 WeakPolarHBondContact O-CB 3.47Å; V57-F61 HydrophobicContact CB-CB 4.49Å; V57-F61 HydrophobicContact CB-CD2 3.88Å; V57-F61 HydrophobicContact CB-CE2 4.44Å; V57-F61 HydrophobicContact CB-CG 4.26Å; V57-F61 HydrophobicContact CG1-CD2 3.68Å; V57-F61 HydrophobicContact CG1-CE2 3.86Å; N58-F61 WeakPolarHBondContact OD1-CD2 3.16Å; N58-F61 PolarHBondContact OD1-N 3.29Å; F61-A63 PolarHBondContact O-N 3.38Å; F61-E64 PolarHBondContact O-N 3.05Å; F61-I65 HydrophobicContact CB-CD1 4.35Å; F61-I65 WeakPolarHBondContact O-CB 3.49Å; F61-I65 VanDerWaalsContact O-CD1 3.27Å; F61-I65 WeakPolarHBondContact O-CD1 3.07Å; F61-I65 VanDerWaalsContact O-CG1 3.27Å; F61-I65 WeakPolarHBondContact O-CG1 3.39Å; F61-I65 PolarHBondContact O-N 2.96Å
62	R	87.2	Confident	87.4	Confident	119 Å²	119	56.9 Å²	56.9	45%	0.449	30%	0.302	S	S	.	.	H	α-helix	trans	-60	-42.6	178	-174.5	-176.1	-53.5	143.5	5.6	113.2	R55 N58 S59 F60 T66	R55-R62 HydrophobicContact CG-CB 4.02Å; R55-R62 HydrophobicContact CG-CG 3.76Å; N58-R62 WeakPolarHBondContact O-CB 3.25Å; N58-R62 PolarHBondContact O-N 3.06Å; S59-R62 WeakPolarHBondContact O-CB 3.29Å; S59-R62 PolarHBondContact O-N 3.24Å; F60-R62 PolarHBondContact O-N 3.38Å; R62-T66 WeakPolarHBondContact O-CB 3.18Å; R62-T66 PolarHBondContact O-N 2.7Å; R62-T66 VanDerWaalsContact O-N 3.13Å; R62-T66 PolarHBondContact O-OG1 3.1Å
63	A	88.2	Confident	87.9	Confident	63 Å²	63	58.6 Å²	58.6	52%	0.521	31%	0.313	S	S	.	.	H	α-helix	trans	-65.9	-46.3	177.5	0	0	0	0	0	111.3	S59 F60 F61 T66 K67	S59-A63 PolarHBondContact O-N 3.49Å; F60-A63 PolarHBondContact O-N 2.59Å; F60-A63 VanDerWaalsContact O-N 3.12Å; F61-A63 PolarHBondContact O-N 3.38Å; A63-T66 WeakPolarHBondContact O-CB 3.42Å; A63-T66 PolarHBondContact O-N 3.05Å; A63-K67 PolarHBondContact O-N 3.26Å
64	E	88.5	Confident	88.5	Confident	22 Å²	22	62.5 Å²	62.5	10%	0.103	32%	0.316	C	S	.	.	H	α-helix	trans	-67.1	-43.3	-178.1	-175.5	50.9	-138.3	0	0	112.3	L39 M43 F60 F61 T66 K67 R68	L39-E64 HydrophobicContact CD2-CB 3.7Å; L39-E64 HydrophobicContact CD2-CG 4.11Å; L39-E64 HydrophobicContact CG-CB 4.23Å; L39-E64 HydrophobicContact CG-CG 4.16Å; M43-E64 HydrophobicContact CG-CG 4.07Å; F60-E64 PolarHBondContact O-N 3.05Å; F61-E64 PolarHBondContact O-N 3.05Å; E64-T66 VanDerWaalsContact C-N 3.27Å; E64-T66 PolarHBondContact O-N 3.22Å; E64-K67 WeakPolarHBondContact O-CB 3.36Å; E64-K67 PolarHBondContact O-N 3.16Å; E64-K67 VanDerWaalsContact O-N 3.14Å; E64-K67 WeakPolarHBondContact OE2-CD 3.22Å; E64-K67 IonicContact OE2-NZ 2.71Å; E64-R68 WeakPolarHBondContact O-CG 3.43Å; E64-R68 PolarHBondContact O-N 3.47Å; E64-R68 IonicContact OE1-CZ 2.9Å; E64-R68 IonicContact OE1-NE 3.52Å; E64-R68 PolarHBondContact OE1-NE 3.49Å; E64-R68 IonicContact OE1-NH2 3.94Å
65	I	90.1	Very high	89.1	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-61.3	-39.4	174	-70.7	157	0	0	0	111.1	M43 W51 M54 R55 F61 K67 R68 F69	M43-I65 HydrophobicContact CE-CD1 4.38Å; M43-I65 HydrophobicContact CE-CG1 3.5Å; M43-I65 VanDerWaalsContact CE-CG1 3.5Å; M43-I65 HydrophobicContact SD-CD1 4.48Å; M43-I65 HydrophobicContact SD-CG1 4.04Å; W51-I65 HydrophobicContact CB-CG2 4.35Å; W51-I65 WeakPolarHBondContact O-CD1 3.3Å; M54-I65 HydrophobicContact CB-CD1 3.72Å; R55-I65 HydrophobicContact CB-CD1 3.87Å; R55-I65 HydrophobicContact CG-CD1 4.49Å; R55-I65 VanDerWaalsContact N-CD1 3.3Å; F61-I65 HydrophobicContact CB-CD1 4.35Å; F61-I65 WeakPolarHBondContact O-CB 3.49Å; F61-I65 VanDerWaalsContact O-CD1 3.27Å; F61-I65 WeakPolarHBondContact O-CD1 3.07Å; F61-I65 VanDerWaalsContact O-CG1 3.27Å; F61-I65 WeakPolarHBondContact O-CG1 3.39Å; F61-I65 PolarHBondContact O-N 2.96Å; I65-K67 VanDerWaalsContact C-N 3.35Å; I65-R68 PolarHBondContact O-N 2.97Å; I65-F69 HydrophobicContact CG2-CD2 3.69Å; I65-F69 HydrophobicContact CG2-CE2 3.33Å; I65-F69 HydrophobicContact CG2-CZ 4.1Å; I65-F69 VanDerWaalsContact O-CD2 3.29Å; I65-F69 WeakPolarHBondContact O-CD2 3.37Å; I65-F69 PolarHBondContact O-N 2.72Å
66	T	90.7	Very high	89.7	Confident	20 Å²	20	61.6 Å²	61.6	12%	0.123	32%	0.315	C	S	.	.	H	α-helix	trans	-63.8	-41.4	175.9	-59.8	0	0	0	0	111.3	R62 A63 E64 F69 R70 N99	R62-T66 WeakPolarHBondContact O-CB 3.18Å; R62-T66 PolarHBondContact O-N 2.7Å; R62-T66 VanDerWaalsContact O-N 3.13Å; R62-T66 PolarHBondContact O-OG1 3.1Å; A63-T66 WeakPolarHBondContact O-CB 3.42Å; A63-T66 PolarHBondContact O-N 3.05Å; E64-T66 VanDerWaalsContact C-N 3.27Å; E64-T66 PolarHBondContact O-N 3.22Å; T66-F69 PolarHBondContact O-N 3.3Å; T66-R70 WeakPolarHBondContact O-CG 3.45Å; T66-R70 PolarHBondContact O-N 3.25Å; T66-N99 WeakPolarHBondContact CG2-OD1 3.48Å
67	K	90.7	Very high	90.4	Very high	113 Å²	113	57 Å²	57	49%	0.491	28%	0.283	S	S	.	.	H	α-helix	trans	-60.4	-45.6	174.4	-179.4	-171.1	170.6	-162.5	0	111	A63 E64 I65 R70 T71	A63-K67 PolarHBondContact O-N 3.26Å; E64-K67 WeakPolarHBondContact O-CB 3.36Å; E64-K67 PolarHBondContact O-N 3.16Å; E64-K67 VanDerWaalsContact O-N 3.14Å; E64-K67 WeakPolarHBondContact OE2-CD 3.22Å; E64-K67 IonicContact OE2-NZ 2.71Å; I65-K67 VanDerWaalsContact C-N 3.35Å; K67-R70 WeakPolarHBondContact O-CB 3.32Å; K67-R70 PolarHBondContact O-N 2.9Å; K67-T71 PolarHBondContact O-N 3.35Å
68	R	91.3	Very high	90.9	Very high	44 Å²	44	56.4 Å²	56.4	17%	0.166	28%	0.284	C	S	.	.	H	α-helix	trans	-65.9	-40.2	177.7	-69.5	-178.3	179.6	-128.1	0.3	113.3	D40 M43 W51 E64 I65 R70 T71 L72	D40-R68 PolarHBondContact O-NH2 3.49Å; D40-R68 IonicContact OD1-CZ 3.96Å; D40-R68 IonicContact OD1-NH2 3.33Å; D40-R68 PolarHBondContact OD1-NH2 2.8Å; M43-R68 PolarHBondContact O-NH1 2.98Å; W51-R68 HydrophobicContact CH2-CB 3.89Å; W51-R68 HydrophobicContact CZ3-CB 3.87Å; E64-R68 WeakPolarHBondContact O-CG 3.43Å; E64-R68 PolarHBondContact O-N 3.47Å; E64-R68 IonicContact OE1-CZ 2.9Å; E64-R68 IonicContact OE1-NE 3.52Å; E64-R68 PolarHBondContact OE1-NE 3.49Å; E64-R68 IonicContact OE1-NH2 3.94Å; I65-R68 PolarHBondContact O-N 2.97Å; R68-R70 PolarHBondContact O-N 3.38Å; R68-T71 PolarHBondContact O-N 3.36Å; R68-T71 VanDerWaalsContact O-N 3.09Å; R68-T71 PolarHBondContact O-OG1 3.5Å; R68-L72 WeakPolarHBondContact O-CG 3.49Å
69	F	93.1	Very high	91.4	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-58.9	-36.7	172.6	-78.7	-47.4	0	0	0	112.4	W51 I65 T66 T71 L72 F80 I96 N99 L100	W51-F69 HydrophobicContact CE3-CD1 4.21Å; W51-F69 AromaticContact CE3-CE1 3.79Å; W51-F69 HydrophobicContact CE3-CE1 3.79Å; W51-F69 HydrophobicContact CE3-CZ 4.06Å; W51-F69 HydrophobicContact CZ3-CD1 4.18Å; W51-F69 HydrophobicContact CZ3-CE1 4.17Å; I65-F69 HydrophobicContact CG2-CD2 3.69Å; I65-F69 HydrophobicContact CG2-CE2 3.33Å; I65-F69 HydrophobicContact CG2-CZ 4.1Å; I65-F69 VanDerWaalsContact O-CD2 3.29Å; I65-F69 WeakPolarHBondContact O-CD2 3.37Å; I65-F69 PolarHBondContact O-N 2.72Å; T66-F69 PolarHBondContact O-N 3.3Å; F69-T71 VanDerWaalsContact C-N 3.26Å; F69-T71 PolarHBondContact O-N 2.77Å; F69-L72 HydrophobicContact CD1-CD1 3.96Å; F69-L72 PolarHBondContact O-N 3Å; F69-F80 HydrophobicContact CD1-CE1 4.44Å; F69-F80 AromaticContact CE1-CD1 3.88Å; F69-F80 HydrophobicContact CE1-CD1 3.88Å; F69-F80 AromaticContact CE1-CE1 3.61Å; F69-F80 HydrophobicContact CE1-CE1 3.61Å; F69-F80 HydrophobicContact CE1-CZ 4.28Å; F69-F80 HydrophobicContact CZ-CD1 4.37Å; F69-F80 HydrophobicContact CZ-CE1 4.44Å; F69-I96 HydrophobicContact CD1-CG2 4.43Å; F69-I96 HydrophobicContact CE1-CG1 4.43Å; F69-I96 HydrophobicContact CE1-CG2 4.02Å; F69-I96 HydrophobicContact CZ-CG1 4.1Å; F69-I96 HydrophobicContact CZ-CG2 4.44Å; F69-N99 CarbonylContact C-O 3.5Å; F69-N99 HydrophobicContact CB-CB 3.62Å; F69-N99 HydrophobicContact CD2-CB 3.86Å; F69-N99 HydrophobicContact CG-CB 4.03Å; F69-L100 HydrophobicContact CB-CD2 4.16Å; F69-L100 HydrophobicContact CD1-CD2 3.99Å; F69-L100 HydrophobicContact CG-CD2 4.45Å; F69-L100 WeakPolarHBondContact O-CD2 3.1Å
70	R	93	Very high	91.7	Very high	136 Å²	136	55.9 Å²	55.9	51%	0.513	27%	0.273	S	S	.	.	H	α-helix	trans	-68.8	-21.9	177.6	-69.6	172.4	-178.6	-176.6	1	113.3	T66 K67 R68 V101 N102	T66-R70 WeakPolarHBondContact O-CG 3.45Å; T66-R70 PolarHBondContact O-N 3.25Å; K67-R70 WeakPolarHBondContact O-CB 3.32Å; K67-R70 PolarHBondContact O-N 2.9Å; R68-R70 PolarHBondContact O-N 3.38Å; R70-V101 HydrophobicContact CG-CG2 4.2Å; R70-N102 PolarHBondContact O-ND2 2.92Å
71	T	92.4	Very high	91.9	Very high	98 Å²	98	51.4 Å²	51.4	60%	0.601	25%	0.254	S	S	*	.	H	α-helix	trans	-85	-12.3	177.6	59.1	0	0	0	0	113.4	K67 R68 F69	K67-T71 PolarHBondContact O-N 3.35Å; R68-T71 PolarHBondContact O-N 3.36Å; R68-T71 VanDerWaalsContact O-N 3.09Å; R68-T71 PolarHBondContact O-OG1 3.5Å; F69-T71 VanDerWaalsContact C-N 3.26Å; F69-T71 PolarHBondContact O-N 2.77Å
72	L	94.8	Very high	91.9	Very high	26 Å²	26	55 Å²	55	14%	0.136	28%	0.278	C	S	.	.			trans	-74.4	130.1	-178.1	-59.1	178.6	0	0	0	111.7	W51 R68 F69 V75 F80 L100 N102 V103	W51-L72 HydrophobicContact CZ3-CD1 4.33Å; R68-L72 WeakPolarHBondContact O-CG 3.49Å; F69-L72 HydrophobicContact CD1-CD1 3.96Å; F69-L72 PolarHBondContact O-N 3Å; L72-V75 HydrophobicContact CB-CG2 3.84Å; L72-V75 HydrophobicContact CD1-CG2 3.86Å; L72-V75 HydrophobicContact CG-CG2 4.49Å; L72-F80 HydrophobicContact CD1-CE1 4.4Å; L72-F80 HydrophobicContact CD1-CZ 3.73Å; L72-L100 HydrophobicContact CB-CD2 4.27Å; L72-L100 HydrophobicContact CD1-CD2 4.08Å; L72-N102 CarbonylContact O-C 3.51Å; L72-V103 PolarHBondContact O-N 2.84Å
73	T	96.2	Very high	91.7	Very high	68 Å²	68	53.2 Å²	53.2	42%	0.417	29%	0.289	S	S	.	.	S	Bend	trans	-104.7	-25.2	173.1	55.6	0	0	0	0	112.4	Q104 E105	T73-Q104 PolarHBondContact O-N 2.9Å; T73-E105 PolarHBondContact O-N 3.28Å; T73-E105 VanDerWaalsContact O-N 3.08Å
74	R	96.5	Very high	91.2	Very high	163 Å²	163	52.6 Å²	52.6	62%	0.615	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.4	129.9	176.3	-61	-175.8	167.7	173.2	-9.9	108.8	E105	R74-E105 WeakPolarHBondContact CA-O 3.27Å; R74-E105 HydrophobicContact CB-CB 4.4Å; R74-E105 HydrophobicContact CG-CB 4.04Å; R74-E105 HydrophobicContact CG-CG 4.08Å; R74-E105 IonicContact CZ-OE1 2.86Å; R74-E105 IonicContact CZ-OE2 3.15Å; R74-E105 IonicContact NE-OE1 3.94Å; R74-E105 PolarHBondContact NE-OE1 3.34Å; R74-E105 IonicContact NE-OE2 3.65Å; R74-E105 PolarHBondContact NE-OE2 2.72Å; R74-E105 IonicContact NH2-OE1 3.45Å; R74-E105 PolarHBondContact NH2-OE1 3.48Å; R74-E105 IonicContact NH2-OE2 3.91Å
75	V	96.2	Very high	90.4	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.024	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	123.6	-178.5	170.1	0	0	0	0	109.7	L72 M77 F80 L100 V103 E105 L106 T107	L72-V75 HydrophobicContact CB-CG2 3.84Å; L72-V75 HydrophobicContact CD1-CG2 3.86Å; L72-V75 HydrophobicContact CG-CG2 4.49Å; V75-M77 HydrophobicContact CG1-CE 4.13Å; V75-M77 HydrophobicContact CG1-SD 4.5Å; V75-F80 HydrophobicContact CG1-CD2 4.34Å; V75-F80 HydrophobicContact CG1-CE2 3.87Å; V75-L100 HydrophobicContact CB-CD1 4.13Å; V75-L100 HydrophobicContact CG1-CD1 3.88Å; V75-L100 HydrophobicContact CG2-CD1 3.82Å; V75-L100 HydrophobicContact CG2-CD2 3.74Å; V75-L100 HydrophobicContact CG2-CG 4.41Å; V75-V103 HydrophobicContact CB-CG2 3.93Å; V75-V103 HydrophobicContact CG2-CG2 3.41Å; V75-V103 VanDerWaalsContact CG2-CG2 3.41Å; V75-E105 PolarHBondContact N-O 3.15Å; V75-L106 HydrophobicContact CB-CD1 4.24Å; V75-L106 HydrophobicContact CG1-CD1 4.02Å; V75-L106 CarbonylContact O-C 3.58Å; V75-L106 WeakPolarHBondContact O-CA 3.41Å; V75-T107 PolarHBondContact O-N 3.48Å
76	D	95.8	Very high	89.4	Confident	54 Å²	54	55.3 Å²	55.3	29%	0.289	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	122.5	160.9	-176.3	-11.9	0	0	0	108.9	A78 E79 F80	D76-A78 PolarHBondContact O-N 2.87Å; D76-A78 WeakPolarHBondContact OD1-CB 3.22Å; D76-A78 PolarHBondContact OD1-N 2.82Å; D76-E79 HydrophobicContact CB-CG 4.17Å; D76-E79 WeakPolarHBondContact O-CB 3.25Å; D76-E79 PolarHBondContact O-N 2.81Å; D76-E79 VanDerWaalsContact O-N 3.1Å; D76-F80 VanDerWaalsContact O-CD2 3.29Å; D76-F80 WeakPolarHBondContact O-CD2 3.43Å
77	M	94.3	Very high	88.8	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-61.6	-24.7	-179.7	-70	-68.9	168.7	0	0	113.1	V75 E79 F80 L81 V93 I96 L97 L100 L106 T107 V108 V112	V75-M77 HydrophobicContact CG1-CE 4.13Å; V75-M77 HydrophobicContact CG1-SD 4.5Å; M77-E79 PolarHBondContact O-N 3.09Å; M77-F80 PolarHBondContact O-N 3.4Å; M77-F80 VanDerWaalsContact O-N 3.15Å; M77-L81 PolarHBondContact O-N 2.87Å; M77-V93 HydrophobicContact CE-CG1 4.34Å; M77-V93 HydrophobicContact SD-CG1 4.33Å; M77-V93 HydrophobicContact SD-CG2 4.42Å; M77-I96 HydrophobicContact CE-CB 4.37Å; M77-I96 HydrophobicContact CE-CG2 3.88Å; M77-I96 HydrophobicContact SD-CB 4.34Å; M77-I96 HydrophobicContact SD-CD1 4.08Å; M77-I96 HydrophobicContact SD-CG2 4.05Å; M77-L97 HydrophobicContact CE-CD1 4.5Å; M77-L97 HydrophobicContact CE-CD2 3.39Å; M77-L97 HydrophobicContact CE-CG 3.61Å; M77-L100 HydrophobicContact CE-CD1 4.2Å; M77-L106 HydrophobicContact CE-CD1 3.67Å; M77-L106 HydrophobicContact CG-CD1 4.48Å; M77-T107 WeakPolarHBondContact CG-O 3.41Å; M77-T107 PolarHBondContact N-O 2.84Å; M77-V108 HydrophobicContact CG-CG2 4.1Å; M77-V112 HydrophobicContact CB-CG1 4.08Å
78	A	91.9	Very high	88.4	Confident	51 Å²	51	58.8 Å²	58.8	42%	0.421	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-66.8	-21	176.1	0	0	0	0	0	113.4	D76 F80 P109 V112	D76-A78 PolarHBondContact O-N 2.87Å; D76-A78 WeakPolarHBondContact OD1-CB 3.22Å; D76-A78 PolarHBondContact OD1-N 2.82Å; A78-F80 VanDerWaalsContact C-N 3.28Å; A78-F80 PolarHBondContact O-N 2.9Å; A78-P109 HydrophobicContact CB-CG 4.04Å; A78-V112 HydrophobicContact CB-CG2 4.06Å
79	E	91.7	Very high	88.2	Confident	81 Å²	81	56.7 Å²	56.7	38%	0.379	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-72.5	-24.2	174.1	-62	-178.8	131.9	0	0	112.6	K48 S49 D76 M77	K48-E79 CarbonylContact C-O 3.54Å; K48-E79 HydrophobicContact CB-CB 4.32Å; K48-E79 WeakPolarHBondContact CB-O 3.48Å; K48-E79 HydrophobicContact CD-CB 3.88Å; K48-E79 HydrophobicContact CD-CG 4.43Å; K48-E79 WeakPolarHBondContact CD-OE2 3.5Å; K48-E79 IonicContact NZ-OE1 3.89Å; K48-E79 PolarHBondContact NZ-OE1 3.43Å; K48-E79 IonicContact NZ-OE2 3.31Å; K48-E79 PolarHBondContact NZ-OE2 3.06Å; S49-E79 PolarHBondContact N-O 3.31Å; D76-E79 HydrophobicContact CB-CG 4.17Å; D76-E79 WeakPolarHBondContact O-CB 3.25Å; D76-E79 PolarHBondContact O-N 2.81Å; D76-E79 VanDerWaalsContact O-N 3.1Å; M77-E79 PolarHBondContact O-N 3.09Å
80	F	91.1	Very high	88	Confident	1 Å²	1	58 Å²	58	0%	0.004	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-25.8	-174.3	-59.7	-84.3	0	0	0	112.7	K48 W51 F69 L72 V75 D76 M77 A78 I96	K48-F80 HydrophobicContact CB-CD1 3.87Å; K48-F80 HydrophobicContact CB-CE1 3.72Å; K48-F80 HydrophobicContact CB-CZ 4.26Å; K48-F80 HydrophobicContact CD-CE1 4.09Å; K48-F80 HydrophobicContact CD-CE2 4.38Å; K48-F80 HydrophobicContact CD-CZ 3.82Å; K48-F80 HydrophobicContact CG-CE1 3.92Å; K48-F80 HydrophobicContact CG-CZ 4.18Å; K48-F80 WeakPolarHBondContact O-CD1 3.42Å; W51-F80 HydrophobicContact CD2-CE1 4.41Å; W51-F80 AromaticContact CE3-CE1 3.84Å; W51-F80 HydrophobicContact CE3-CE1 3.84Å; W51-F80 HydrophobicContact CZ3-CE1 4.06Å; F69-F80 HydrophobicContact CD1-CE1 4.44Å; F69-F80 AromaticContact CE1-CD1 3.88Å; F69-F80 HydrophobicContact CE1-CD1 3.88Å; F69-F80 AromaticContact CE1-CE1 3.61Å; F69-F80 HydrophobicContact CE1-CE1 3.61Å; F69-F80 HydrophobicContact CE1-CZ 4.28Å; F69-F80 HydrophobicContact CZ-CD1 4.37Å; F69-F80 HydrophobicContact CZ-CE1 4.44Å; L72-F80 HydrophobicContact CD1-CE1 4.4Å; L72-F80 HydrophobicContact CD1-CZ 3.73Å; V75-F80 HydrophobicContact CG1-CD2 4.34Å; V75-F80 HydrophobicContact CG1-CE2 3.87Å; D76-F80 VanDerWaalsContact O-CD2 3.29Å; D76-F80 WeakPolarHBondContact O-CD2 3.43Å; M77-F80 PolarHBondContact O-N 3.4Å; M77-F80 VanDerWaalsContact O-N 3.15Å; A78-F80 VanDerWaalsContact C-N 3.28Å; A78-F80 PolarHBondContact O-N 2.9Å; F80-I96 HydrophobicContact CB-CD1 3.57Å; F80-I96 HydrophobicContact CG-CD1 4.09Å
81	L	90.1	Very high	87.9	Confident	9 Å²	9	60 Å²	60	5%	0.047	32%	0.316	C	S	.	.	S	Bend	trans	-132.9	133.1	-170.7	-65	174.4	0	0	0	111	L52 M77 M84 P92 V93 I96 V112	L52-L81 HydrophobicContact CD1-CD2 3.45Å; L52-L81 VanDerWaalsContact CD1-CD2 3.45Å; L52-L81 HydrophobicContact CD1-CG 4.4Å; M77-L81 PolarHBondContact O-N 2.87Å; L81-M84 HydrophobicContact CD2-CE 4.24Å; L81-P92 HydrophobicContact CD1-CB 4.18Å; L81-P92 HydrophobicContact CD1-CG 4.25Å; L81-P92 HydrophobicContact CD2-CB 3.74Å; L81-P92 HydrophobicContact CD2-CG 4.07Å; L81-V93 HydrophobicContact CD1-CB 4.45Å; L81-V93 HydrophobicContact CD1-CG2 3.41Å; L81-V93 VanDerWaalsContact CD1-CG2 3.41Å; L81-I96 HydrophobicContact CD1-CD1 3.97Å; L81-I96 HydrophobicContact CG-CD1 4.05Å; L81-V112 HydrophobicContact CB-CG1 3.72Å; L81-V112 HydrophobicContact CD1-CG1 3.87Å; L81-V112 HydrophobicContact CG-CG1 4.43Å
82	P	86.7	Confident	87.9	Confident	83 Å²	83	56.6 Å²	56.6	54%	0.539	30%	0.296	S	S	.	.			trans	-64.4	168.4	168.4	30.6	-36.7	0	0	0	110.7	M84	P82-M84 HydrophobicContact CG-CE 3.76Å; P82-M84 HydrophobicContact CG-CG 4.46Å; P82-M84 PolarHBondContact O-N 2.8Å
83	A	82.5	Confident	87.9	Confident	82 Å²	82	55.3 Å²	55.3	68%	0.678	29%	0.289	S	S	*	.			trans	-57.4	128.7	168.7	0	0	0	0	0	109.7	T111	A83-T111 VanDerWaalsContact CA-O 3.24Å; A83-T111 WeakPolarHBondContact CA-O 3.33Å
84	M	78.8	Confident	87.8	Confident	49 Å²	49	53 Å²	53	24%	0.241	28%	0.276	C	S	.	.			trans	-134	149.5	-176.7	-74.8	-174.7	-175.1	0	0	109.8	L81 P82 A86 E88 A89 P92 T111	L81-M84 HydrophobicContact CD2-CE 4.24Å; P82-M84 HydrophobicContact CG-CE 3.76Å; P82-M84 HydrophobicContact CG-CG 4.46Å; P82-M84 PolarHBondContact O-N 2.8Å; M84-A86 PolarHBondContact O-N 2.83Å; M84-E88 HydrophobicContact CB-CB 4.39Å; M84-E88 HydrophobicContact SD-CB 4.4Å; M84-A89 HydrophobicContact CB-CB 3.91Å; M84-A89 HydrophobicContact CG-CB 4.45Å; M84-A89 HydrophobicContact SD-CB 3.84Å; M84-P92 HydrophobicContact SD-CG 4.47Å; M84-T111 PolarHBondContact N-O 2.72Å; M84-T111 VanDerWaalsContact N-O 3.16Å
85	F	70.9	Confident	87.6	Confident	78 Å²	78	48.6 Å²	48.6	34%	0.342	26%	0.264	S	S	.	.			trans	-80.3	119.4	177.3	-173.6	-101.8	0	0	0	110.8	I87 E88 L184 A188	F85-I87 PolarHBondContact O-N 3.22Å; F85-E88 PolarHBondContact O-N 3.39Å; F85-E88 VanDerWaalsContact O-N 3.11Å; F85-L184 WeakPolarHBondContact CE2-O 3.43Å; F85-L184 HydrophobicContact CZ-CB 4.44Å; F85-A188 HydrophobicContact CD2-CB 4.08Å; F85-A188 HydrophobicContact CE2-CB 3.75Å
86	A	68.3	Low	87.5	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.008	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	41.2	-92	166.1	0	0	0	0	0	115.8	M84 L113 F172	M84-A86 PolarHBondContact O-N 2.83Å; A86-L113 WeakPolarHBondContact O-CD1 3.48Å; A86-F172 HydrophobicContact CB-CE1 3.84Å; A86-F172 HydrophobicContact CB-CE2 4.41Å; A86-F172 HydrophobicContact CB-CZ 3.58Å
87	I	78.7	Confident	87.6	Confident	78 Å²	78	46 Å²	46	40%	0.4	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-21.3	-170	-161.8	165.2	0	0	0	114.2	F85 A89 E90 F172	F85-I87 PolarHBondContact O-N 3.22Å; I87-A89 VanDerWaalsContact C-N 3.3Å; I87-A89 PolarHBondContact O-N 3.04Å; I87-E90 VanDerWaalsContact O-CB 3.24Å; I87-E90 WeakPolarHBondContact O-CB 3.45Å; I87-E90 PolarHBondContact O-N 2.9Å; I87-E90 VanDerWaalsContact O-N 3.07Å; I87-F172 HydrophobicContact CB-CD2 4.28Å; I87-F172 HydrophobicContact CB-CE2 4.48Å; I87-F172 HydrophobicContact CD1-CB 4.25Å; I87-F172 HydrophobicContact CD1-CD2 4.08Å; I87-F172 HydrophobicContact CD1-CG 4.43Å
88	E	82	Confident	87.6	Confident	128 Å²	128	48.4 Å²	48.4	60%	0.598	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-37.1	-173.1	-66.7	175.5	172.3	0	0	111.9	M84 F85 E90 P92	M84-E88 HydrophobicContact CB-CB 4.39Å; M84-E88 HydrophobicContact SD-CB 4.4Å; F85-E88 PolarHBondContact O-N 3.39Å; F85-E88 VanDerWaalsContact O-N 3.11Å; E88-E90 VanDerWaalsContact C-N 3.3Å; E88-E90 PolarHBondContact O-N 3.35Å; E88-P92 WeakPolarHBondContact O-CD 3.31Å
89	A	87.3	Confident	87.7	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-12.5	176.7	0	0	0	0	0	114.1	M84 I87 K91 P92 V93 V112 L113	M84-A89 HydrophobicContact CB-CB 3.91Å; M84-A89 HydrophobicContact CG-CB 4.45Å; M84-A89 HydrophobicContact SD-CB 3.84Å; I87-A89 VanDerWaalsContact C-N 3.3Å; I87-A89 PolarHBondContact O-N 3.04Å; A89-K91 PolarHBondContact O-N 2.9Å; A89-P92 VanDerWaalsContact C-CD 3.48Å; A89-P92 WeakPolarHBondContact O-CD 3.39Å; A89-P92 VanDerWaalsContact O-CG 3.3Å; A89-P92 WeakPolarHBondContact O-CG 3.37Å; A89-V93 HydrophobicContact CB-CG2 4.14Å; A89-V93 WeakPolarHBondContact O-CB 3.24Å; A89-V93 WeakPolarHBondContact O-CG2 3.34Å; A89-V93 PolarHBondContact O-N 2.71Å; A89-V112 HydrophobicContact CB-CG1 4.45Å; A89-V112 WeakPolarHBondContact CB-O 3.41Å; A89-L113 HydrophobicContact CB-CB 4.47Å; A89-L113 HydrophobicContact CB-CD1 4.16Å
90	E	89.4	Confident	87.9	Confident	29 Å²	29	43 Å²	43	14%	0.136	23%	0.234	C	C	.	.	H	α-helix	trans	-61	-45.2	-171.5	-164.8	-172.5	132.7	0	0	112	I87 E88 S94 R117 S119 V120	I87-E90 VanDerWaalsContact O-CB 3.24Å; I87-E90 WeakPolarHBondContact O-CB 3.45Å; I87-E90 PolarHBondContact O-N 2.9Å; I87-E90 VanDerWaalsContact O-N 3.07Å; E88-E90 VanDerWaalsContact C-N 3.3Å; E88-E90 PolarHBondContact O-N 3.35Å; E90-S94 WeakPolarHBondContact O-CB 3.27Å; E90-S94 PolarHBondContact O-N 3.28Å; E90-S94 PolarHBondContact O-OG 3.06Å; E90-R117 IonicContact OE1-NH1 3.81Å; E90-R117 IonicContact OE2-CZ 2.82Å; E90-R117 IonicContact OE2-NE 3.95Å; E90-R117 IonicContact OE2-NH1 3.47Å; E90-R117 PolarHBondContact OE2-NH1 3.49Å; E90-S119 WeakPolarHBondContact OE1-CB 3.36Å; E90-S119 PolarHBondContact OE1-OG 3.3Å; E90-V120 HydrophobicContact CG-CG2 3.67Å
91	K	91	Very high	88	Confident	176 Å²	176	47.2 Å²	47.2	77%	0.765	26%	0.259	S	S	*	.	H	α-helix	trans	-65.3	-53.8	178	-72.5	-177.3	-179.8	178.3	0	112.5	A89 S94 L95	A89-K91 PolarHBondContact O-N 2.9Å; K91-S94 PolarHBondContact O-N 3.25Å; K91-L95 WeakPolarHBondContact O-CB 3.26Å; K91-L95 PolarHBondContact O-N 3.41Å
92	P	91.7	Very high	88.2	Confident	27 Å²	27	49.2 Å²	49.2	18%	0.175	27%	0.27	C	S	.	.	H	α-helix	trans	-66	-38.3	179.6	24.5	-34	0	0	0	112.8	L52 L81 M84 E88 A89 L95 I96	L52-P92 HydrophobicContact CD1-CB 3.78Å; L81-P92 HydrophobicContact CD1-CB 4.18Å; L81-P92 HydrophobicContact CD1-CG 4.25Å; L81-P92 HydrophobicContact CD2-CB 3.74Å; L81-P92 HydrophobicContact CD2-CG 4.07Å; M84-P92 HydrophobicContact SD-CG 4.47Å; E88-P92 WeakPolarHBondContact O-CD 3.31Å; A89-P92 VanDerWaalsContact C-CD 3.48Å; A89-P92 WeakPolarHBondContact O-CD 3.39Å; A89-P92 VanDerWaalsContact O-CG 3.3Å; A89-P92 WeakPolarHBondContact O-CG 3.37Å; P92-L95 WeakPolarHBondContact O-CB 3.43Å; P92-L95 PolarHBondContact O-N 3.48Å; P92-I96 WeakPolarHBondContact O-CG1 3.47Å; P92-I96 PolarHBondContact O-N 3.44Å
93	V	94.6	Very high	88.7	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.3	-48.1	173.6	170.5	0	0	0	0	110.6	M77 L81 A89 L95 I96 L97 V112 L113 V120	M77-V93 HydrophobicContact CE-CG1 4.34Å; M77-V93 HydrophobicContact SD-CG1 4.33Å; M77-V93 HydrophobicContact SD-CG2 4.42Å; L81-V93 HydrophobicContact CD1-CB 4.45Å; L81-V93 HydrophobicContact CD1-CG2 3.41Å; L81-V93 VanDerWaalsContact CD1-CG2 3.41Å; A89-V93 HydrophobicContact CB-CG2 4.14Å; A89-V93 WeakPolarHBondContact O-CB 3.24Å; A89-V93 WeakPolarHBondContact O-CG2 3.34Å; A89-V93 PolarHBondContact O-N 2.71Å; V93-L95 VanDerWaalsContact C-N 3.25Å; V93-L95 PolarHBondContact O-N 3.27Å; V93-I96 PolarHBondContact O-N 3.18Å; V93-L97 HydrophobicContact CG1-CD1 3.62Å; V93-L97 HydrophobicContact CG1-CG 4.13Å; V93-L97 WeakPolarHBondContact O-CB 3.49Å; V93-L97 VanDerWaalsContact O-CG 3.28Å; V93-L97 WeakPolarHBondContact O-CG 3.47Å; V93-L97 PolarHBondContact O-N 3.13Å; V93-V112 HydrophobicContact CG2-CG1 4.25Å; V93-L113 HydrophobicContact CB-CD2 4.37Å; V93-L113 HydrophobicContact CG1-CD2 3.99Å; V93-L113 HydrophobicContact CG2-CB 4.4Å; V93-L113 HydrophobicContact CG2-CD2 4.33Å; V93-V120 HydrophobicContact CG1-CG1 3.91Å; V93-V120 HydrophobicContact CG1-CG2 4.37Å
94	S	94.3	Very high	89.4	Confident	20 Å²	20	45.4 Å²	45.4	14%	0.14	23%	0.231	C	C	.	.	H	α-helix	trans	-60.8	-36.6	177.5	-63.8	0	0	0	0	112.4	E90 K91 S98	E90-S94 WeakPolarHBondContact O-CB 3.27Å; E90-S94 PolarHBondContact O-N 3.28Å; E90-S94 PolarHBondContact O-OG 3.06Å; K91-S94 PolarHBondContact O-N 3.25Å; S94-S98 WeakPolarHBondContact O-CB 3.39Å; S94-S98 PolarHBondContact O-N 3.34Å; S94-S98 PolarHBondContact O-OG 3.39Å
95	L	92.1	Very high	90.4	Very high	70 Å²	70	45.3 Å²	45.3	37%	0.366	23%	0.23	S	C	.	.	H	α-helix	trans	-65.4	-49	175.7	-179.2	64.4	0	0	0	111	L52 K91 P92 V93 S98 N99	L52-L95 HydrophobicContact CD2-CD2 3.99Å; K91-L95 WeakPolarHBondContact O-CB 3.26Å; K91-L95 PolarHBondContact O-N 3.41Å; P92-L95 WeakPolarHBondContact O-CB 3.43Å; P92-L95 PolarHBondContact O-N 3.48Å; V93-L95 VanDerWaalsContact C-N 3.25Å; V93-L95 PolarHBondContact O-N 3.27Å; L95-S98 PolarHBondContact O-N 2.9Å; L95-N99 PolarHBondContact O-ND2 3.13Å
96	I	94.7	Very high	91.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-57.4	-56.9	176.2	-66.4	166.6	0	0	0	109.4	L52 F69 M77 F80 L81 P92 V93 S98 N99 L100	L52-I96 HydrophobicContact CD1-CD1 4.02Å; L52-I96 HydrophobicContact CD1-CG1 4.31Å; L52-I96 HydrophobicContact CD2-CG1 3.98Å; L52-I96 HydrophobicContact CG-CG1 4.44Å; F69-I96 HydrophobicContact CD1-CG2 4.43Å; F69-I96 HydrophobicContact CE1-CG1 4.43Å; F69-I96 HydrophobicContact CE1-CG2 4.02Å; F69-I96 HydrophobicContact CZ-CG1 4.1Å; F69-I96 HydrophobicContact CZ-CG2 4.44Å; M77-I96 HydrophobicContact CE-CB 4.37Å; M77-I96 HydrophobicContact CE-CG2 3.88Å; M77-I96 HydrophobicContact SD-CB 4.34Å; M77-I96 HydrophobicContact SD-CD1 4.08Å; M77-I96 HydrophobicContact SD-CG2 4.05Å; F80-I96 HydrophobicContact CB-CD1 3.57Å; F80-I96 HydrophobicContact CG-CD1 4.09Å; L81-I96 HydrophobicContact CD1-CD1 3.97Å; L81-I96 HydrophobicContact CG-CD1 4.05Å; P92-I96 WeakPolarHBondContact O-CG1 3.47Å; P92-I96 PolarHBondContact O-N 3.44Å; V93-I96 PolarHBondContact O-N 3.18Å; I96-S98 PolarHBondContact O-N 3.29Å; I96-S98 VanDerWaalsContact O-N 3.11Å; I96-N99 PolarHBondContact O-N 3.35Å; I96-L100 HydrophobicContact CG2-CD1 3.82Å; I96-L100 HydrophobicContact CG2-CD2 4.48Å; I96-L100 HydrophobicContact CG2-CG 4.16Å; I96-L100 WeakPolarHBondContact O-CG 3.5Å; I96-L100 PolarHBondContact O-N 3.24Å
97	L	96.7	Very high	93.1	Very high	3 Å²	3	43 Å²	43	2%	0.016	22%	0.222	C	C	.	.	H	α-helix	trans	-54.4	-36	-177.8	-69.3	170.5	0	0	0	113	M77 V93 N99 L100 L106 V120 K123 I124 L127	M77-L97 HydrophobicContact CE-CD1 4.5Å; M77-L97 HydrophobicContact CE-CD2 3.39Å; M77-L97 HydrophobicContact CE-CG 3.61Å; V93-L97 HydrophobicContact CG1-CD1 3.62Å; V93-L97 HydrophobicContact CG1-CG 4.13Å; V93-L97 WeakPolarHBondContact O-CB 3.49Å; V93-L97 VanDerWaalsContact O-CG 3.28Å; V93-L97 WeakPolarHBondContact O-CG 3.47Å; V93-L97 PolarHBondContact O-N 3.13Å; L97-N99 PolarHBondContact O-N 3.39Å; L97-N99 VanDerWaalsContact O-N 3.13Å; L97-L100 HydrophobicContact CD2-CD1 4.27Å; L97-L100 PolarHBondContact O-N 3.36Å; L97-L106 HydrophobicContact CD2-CD1 4.08Å; L97-L106 HydrophobicContact CD2-CD2 3.74Å; L97-V120 HydrophobicContact CD1-CG1 3.74Å; L97-K123 HydrophobicContact CB-CB 3.59Å; L97-K123 HydrophobicContact CB-CG 4.48Å; L97-K123 HydrophobicContact CD1-CB 3.84Å; L97-K123 HydrophobicContact CG-CB 4.37Å; L97-I124 HydrophobicContact CD1-CG1 3.82Å; L97-I124 HydrophobicContact CD2-CG1 4.25Å; L97-L127 HydrophobicContact CD2-CD1 3.97Å
98	S	94.8	Very high	93.8	Very high	50 Å²	50	39.3 Å²	39.3	35%	0.35	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-14.5	178.2	-60.7	0	0	0	0	114.1	S94 L95 I96 K123	S94-S98 WeakPolarHBondContact O-CB 3.39Å; S94-S98 PolarHBondContact O-N 3.34Å; S94-S98 PolarHBondContact O-OG 3.39Å; L95-S98 PolarHBondContact O-N 2.9Å; I96-S98 PolarHBondContact O-N 3.29Å; I96-S98 VanDerWaalsContact O-N 3.11Å; S98-K123 WeakPolarHBondContact OG-CD 3.39Å; S98-K123 WeakPolarHBondContact OG-CE 3.29Å; S98-K123 PolarHBondContact OG-NZ 3.29Å
99	N	94.8	Very high	94.2	Very high	16 Å²	16	33.8 Å²	33.8	9%	0.086	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-6.2	179.8	-61.9	-86	0	0	0	113	R55 T66 F69 L95 I96 L97 V101	R55-N99 PolarHBondContact NH1-ND2 3.01Å; R55-N99 PolarHBondContact NH2-OD1 3.44Å; T66-N99 WeakPolarHBondContact CG2-OD1 3.48Å; F69-N99 CarbonylContact C-O 3.5Å; F69-N99 HydrophobicContact CB-CB 3.62Å; F69-N99 HydrophobicContact CD2-CB 3.86Å; F69-N99 HydrophobicContact CG-CB 4.03Å; L95-N99 PolarHBondContact O-ND2 3.13Å; I96-N99 PolarHBondContact O-N 3.35Å; L97-N99 PolarHBondContact O-N 3.39Å; L97-N99 VanDerWaalsContact O-N 3.13Å; N99-V101 PolarHBondContact O-N 3.35Å
100	L	95.4	Very high	94.3	Very high	3 Å²	3	34 Å²	34	2%	0.016	18%	0.18	C	C	.	.			trans	-88.2	78.9	-177.1	-63.8	178.9	0	0	0	111.8	F69 L72 V75 M77 I96 L97 V103 L127	F69-L100 HydrophobicContact CB-CD2 4.16Å; F69-L100 HydrophobicContact CD1-CD2 3.99Å; F69-L100 HydrophobicContact CG-CD2 4.45Å; F69-L100 WeakPolarHBondContact O-CD2 3.1Å; L72-L100 HydrophobicContact CB-CD2 4.27Å; L72-L100 HydrophobicContact CD1-CD2 4.08Å; V75-L100 HydrophobicContact CB-CD1 4.13Å; V75-L100 HydrophobicContact CG1-CD1 3.88Å; V75-L100 HydrophobicContact CG2-CD1 3.82Å; V75-L100 HydrophobicContact CG2-CD2 3.74Å; V75-L100 HydrophobicContact CG2-CG 4.41Å; M77-L100 HydrophobicContact CE-CD1 4.2Å; I96-L100 HydrophobicContact CG2-CD1 3.82Å; I96-L100 HydrophobicContact CG2-CD2 4.48Å; I96-L100 HydrophobicContact CG2-CG 4.16Å; I96-L100 WeakPolarHBondContact O-CG 3.5Å; I96-L100 PolarHBondContact O-N 3.24Å; L97-L100 HydrophobicContact CD2-CD1 4.27Å; L97-L100 PolarHBondContact O-N 3.36Å; L100-V103 HydrophobicContact CB-CB 4.26Å; L100-V103 HydrophobicContact CB-CG2 4.16Å; L100-V103 HydrophobicContact CD1-CG2 4.17Å; L100-V103 HydrophobicContact CD2-CG2 4.37Å; L100-V103 HydrophobicContact CG-CG2 4.46Å; L100-L127 HydrophobicContact CB-CD2 3.98Å; L100-L127 WeakPolarHBondContact O-CD2 3.37Å
101	V	92.9	Very high	94.1	Very high	89 Å²	89	36.4 Å²	36.4	54%	0.539	20%	0.197	S	C	.	.	S	Bend	trans	-79.1	-29.9	-175.9	-176.6	0	0	0	0	112.8	R70 N99	R70-V101 HydrophobicContact CG-CG2 4.2Å; N99-V101 PolarHBondContact O-N 3.35Å
102	N	94.8	Very high	93.9	Very high	52 Å²	52	28 Å²	28	28%	0.278	16%	0.161	S	C	.	.	S	Bend	trans	-106.4	9	-171.1	-70.9	-46.3	0	0	0	115	R70 L72 Q104 K129	R70-N102 PolarHBondContact O-ND2 2.92Å; L72-N102 CarbonylContact O-C 3.51Å; N102-Q104 PolarHBondContact O-N 3.46Å; N102-K129 PolarHBondContact OD1-NZ 2.94Å
103	V	97.5	Very high	93.8	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.006	15%	0.153	C	C	.	.			trans	-64.2	132.1	-177.2	135.4	0	0	0	0	111.8	L72 V75 L100 L106 L127 K129 L130	L72-V103 PolarHBondContact O-N 2.84Å; V75-V103 HydrophobicContact CB-CG2 3.93Å; V75-V103 HydrophobicContact CG2-CG2 3.41Å; V75-V103 VanDerWaalsContact CG2-CG2 3.41Å; L100-V103 HydrophobicContact CB-CB 4.26Å; L100-V103 HydrophobicContact CB-CG2 4.16Å; L100-V103 HydrophobicContact CD1-CG2 4.17Å; L100-V103 HydrophobicContact CD2-CG2 4.37Å; L100-V103 HydrophobicContact CG-CG2 4.46Å; V103-L106 HydrophobicContact CG1-CB 4.14Å; V103-L127 HydrophobicContact CG1-CD1 3.9Å; V103-K129 CarbonylContact O-C 3.22Å; V103-K129 VanDerWaalsContact O-C 3.22Å; V103-K129 WeakPolarHBondContact O-CB 3.43Å; V103-L130 HydrophobicContact CG1-CD1 3.45Å; V103-L130 VanDerWaalsContact CG1-CD1 3.45Å; V103-L130 PolarHBondContact O-N 3.49Å
104	Q	97.8	Very high	93.5	Very high	83 Å²	83	29.4 Å²	29.4	39%	0.388	16%	0.163	S	C	.	.	S	Bend	trans	-112.2	-31.2	174.6	-61.7	-177.7	12.7	0	0	111.5	T73 N102 K129 K131 K132	T73-Q104 PolarHBondContact O-N 2.9Å; N102-Q104 PolarHBondContact O-N 3.46Å; Q104-K129 WeakPolarHBondContact CA-O 3.22Å; Q104-K129 HydrophobicContact CG-CB 4.4Å; Q104-K131 PolarHBondContact O-N 2.86Å; Q104-K132 PolarHBondContact O-N 3.31Å
105	E	98.1	Very high	93.2	Very high	47 Å²	47	28.8 Å²	28.8	22%	0.22	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	124.5	176.6	-49.8	-177.8	-154.3	0	0	109.3	T73 R74 V75 K132	T73-E105 PolarHBondContact O-N 3.28Å; T73-E105 VanDerWaalsContact O-N 3.08Å; R74-E105 WeakPolarHBondContact CA-O 3.27Å; R74-E105 HydrophobicContact CB-CB 4.4Å; R74-E105 HydrophobicContact CG-CB 4.04Å; R74-E105 HydrophobicContact CG-CG 4.08Å; R74-E105 IonicContact CZ-OE1 2.86Å; R74-E105 IonicContact CZ-OE2 3.15Å; R74-E105 IonicContact NE-OE1 3.94Å; R74-E105 PolarHBondContact NE-OE1 3.34Å; R74-E105 IonicContact NE-OE2 3.65Å; R74-E105 PolarHBondContact NE-OE2 2.72Å; R74-E105 IonicContact NH2-OE1 3.45Å; R74-E105 PolarHBondContact NH2-OE1 3.48Å; R74-E105 IonicContact NH2-OE2 3.91Å; V75-E105 PolarHBondContact N-O 3.15Å; E105-K132 WeakPolarHBondContact CA-O 3.29Å; E105-K132 HydrophobicContact CB-CB 4.08Å; E105-K132 HydrophobicContact CB-CD 4.32Å; E105-K132 HydrophobicContact CG-CB 3.91Å; E105-K132 HydrophobicContact CG-CD 4.21Å
106	L	98.4	Very high	93.2	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	123.8	178.5	176.7	66	0	0	0	110	V75 M77 L97 V103 V108 I124 L127 L130 K132 L133 D134	V75-L106 HydrophobicContact CB-CD1 4.24Å; V75-L106 HydrophobicContact CG1-CD1 4.02Å; V75-L106 CarbonylContact O-C 3.58Å; V75-L106 WeakPolarHBondContact O-CA 3.41Å; M77-L106 HydrophobicContact CE-CD1 3.67Å; M77-L106 HydrophobicContact CG-CD1 4.48Å; L97-L106 HydrophobicContact CD2-CD1 4.08Å; L97-L106 HydrophobicContact CD2-CD2 3.74Å; V103-L106 HydrophobicContact CG1-CB 4.14Å; L106-V108 HydrophobicContact CD1-CG2 4.12Å; L106-V108 HydrophobicContact CD2-CG2 3.95Å; L106-V108 HydrophobicContact CG-CG2 3.87Å; L106-I124 HydrophobicContact CD2-CD1 4.38Å; L106-I124 HydrophobicContact CD2-CG1 4.01Å; L106-I124 HydrophobicContact CD2-CG2 4.22Å; L106-L127 HydrophobicContact CD2-CD1 3.71Å; L106-L130 HydrophobicContact CB-CD1 3.46Å; L106-L130 VanDerWaalsContact CB-CD1 3.46Å; L106-L130 HydrophobicContact CB-CD2 4.43Å; L106-K132 PolarHBondContact N-O 2.97Å; L106-L133 HydrophobicContact CB-CD1 4.46Å; L106-L133 HydrophobicContact CD2-CD1 4.15Å; L106-L133 HydrophobicContact CG-CD1 4.42Å; L106-D134 PolarHBondContact O-N 3.19Å
107	T	97.5	Very high	93	Very high	30 Å²	30	28.1 Å²	28.1	18%	0.184	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	121.4	169.5	-55.5	0	0	0	0	109.6	V75 M77 D134	V75-T107 PolarHBondContact O-N 3.48Å; M77-T107 WeakPolarHBondContact CG-O 3.41Å; M77-T107 PolarHBondContact N-O 2.84Å; T107-D134 HydrophobicContact CG2-CB 4.02Å
108	V	95	Very high	92.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.161	C	C	.	.			trans	-119.2	89.9	172.4	-172.2	0	0	0	0	107.6	M77 L106 L113 L116 D134 C138	M77-V108 HydrophobicContact CG-CG2 4.1Å; L106-V108 HydrophobicContact CD1-CG2 4.12Å; L106-V108 HydrophobicContact CD2-CG2 3.95Å; L106-V108 HydrophobicContact CG-CG2 3.87Å; V108-L113 HydrophobicContact CG1-CB 3.94Å; V108-L113 HydrophobicContact CG1-CD2 4.18Å; V108-L116 HydrophobicContact CG1-CD2 3.96Å; V108-D134 PolarHBondContact N-O 3.32Å; V108-C138 PolarHBondContact O-SG 3.09Å
109	P	90.5	Very high	92.6	Very high	13 Å²	13	29.3 Å²	29.3	8%	0.084	16%	0.159	C	C	.	.			trans	-74.2	142.8	-178.9	29.7	-30.4	0	0	0	110.9	A78 T111 V112 L113 N136	A78-P109 HydrophobicContact CB-CG 4.04Å; P109-T111 PolarHBondContact O-N 3.37Å; P109-V112 HydrophobicContact CG-CB 4.2Å; P109-V112 HydrophobicContact CG-CG2 3.84Å; P109-V112 PolarHBondContact O-N 3.15Å; P109-L113 PolarHBondContact O-N 3.1Å; P109-N136 VanDerWaalsContact CA-OD1 3.24Å; P109-N136 WeakPolarHBondContact CA-OD1 3.31Å
110	G	87.9	Confident	92.6	Very high	3 Å²	3	28.6 Å²	28.6	3%	0.031	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-19.3	177.6	0	0	0	0	0	113.7	V112 R114 N136	G110-V112 VanDerWaalsContact C-N 3.33Å; G110-R114 WeakPolarHBondContact O-CA 3.47Å; G110-R114 WeakPolarHBondContact O-CG 3.23Å; G110-R114 PolarHBondContact O-N 3.07Å; G110-N136 PolarHBondContact N-O 3.46Å
111	T	85.3	Confident	92.6	Very high	80 Å²	80	28.4 Å²	28.4	49%	0.491	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-32.6	172	50.4	0	0	0	0	112.8	A83 M84 P109	A83-T111 VanDerWaalsContact CA-O 3.24Å; A83-T111 WeakPolarHBondContact CA-O 3.33Å; M84-T111 PolarHBondContact N-O 2.72Å; M84-T111 VanDerWaalsContact N-O 3.16Å; P109-T111 PolarHBondContact O-N 3.37Å
112	V	87.2	Confident	92.8	Very high	1 Å²	1	27 Å²	27	1%	0.006	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-48.7	176.7	173.6	0	0	0	0	110.5	M77 A78 L81 A89 V93 P109 G110	M77-V112 HydrophobicContact CB-CG1 4.08Å; A78-V112 HydrophobicContact CB-CG2 4.06Å; L81-V112 HydrophobicContact CB-CG1 3.72Å; L81-V112 HydrophobicContact CD1-CG1 3.87Å; L81-V112 HydrophobicContact CG-CG1 4.43Å; A89-V112 HydrophobicContact CB-CG1 4.45Å; A89-V112 WeakPolarHBondContact CB-O 3.41Å; V93-V112 HydrophobicContact CG2-CG1 4.25Å; P109-V112 HydrophobicContact CG-CB 4.2Å; P109-V112 HydrophobicContact CG-CG2 3.84Å; P109-V112 PolarHBondContact O-N 3.15Å; G110-V112 VanDerWaalsContact C-N 3.33Å
113	L	89.9	Confident	92.9	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	14%	0.141	C	C	.	.			trans	-135.5	93.6	-179	-178.2	64.7	0	0	0	110.5	A86 A89 V93 V108 P109 V115 L116 V120 C138	A86-L113 WeakPolarHBondContact O-CD1 3.48Å; A89-L113 HydrophobicContact CB-CB 4.47Å; A89-L113 HydrophobicContact CB-CD1 4.16Å; V93-L113 HydrophobicContact CB-CD2 4.37Å; V93-L113 HydrophobicContact CG1-CD2 3.99Å; V93-L113 HydrophobicContact CG2-CB 4.4Å; V93-L113 HydrophobicContact CG2-CD2 4.33Å; V108-L113 HydrophobicContact CG1-CB 3.94Å; V108-L113 HydrophobicContact CG1-CD2 4.18Å; P109-L113 PolarHBondContact O-N 3.1Å; L113-V115 PolarHBondContact O-N 3.36Å; L113-L116 HydrophobicContact CD2-CD2 3.76Å; L113-L116 HydrophobicContact CG-CD2 4.39Å; L113-V120 HydrophobicContact CD2-CB 4.19Å; L113-V120 HydrophobicContact CD2-CG1 3.7Å; L113-V120 HydrophobicContact CD2-CG2 3.84Å; L113-C138 PolarHBondContact O-SG 2.87Å
114	R	87.3	Confident	92.9	Very high	55 Å²	55	27.3 Å²	27.3	21%	0.208	14%	0.141	C	C	.	.	S	Bend	trans	-61.3	-26.7	-178.6	-71.3	-175	179.5	-156.6	-2.4	114.1	G110 C138 F139 L184	G110-R114 WeakPolarHBondContact O-CA 3.47Å; G110-R114 WeakPolarHBondContact O-CG 3.23Å; G110-R114 PolarHBondContact O-N 3.07Å; R114-C138 CarbonylContact O-C 3.55Å; R114-F139 WeakPolarHBondContact O-CB 3.4Å; R114-F139 PolarHBondContact O-N 3.13Å; R114-L184 HydrophobicContact CB-CD2 3.89Å; R114-L184 PolarHBondContact NH1-O 3.27Å
115	V	89.5	Confident	92.9	Very high	6 Å²	6	23.3 Å²	23.3	4%	0.036	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	119.8	-175.2	-170.9	0	0	0	0	111.6	L113 R117 F139 I170 F172 L184	L113-V115 PolarHBondContact O-N 3.36Å; V115-R117 HydrophobicContact CB-CG 4.45Å; V115-R117 HydrophobicContact CG1-CG 3.76Å; V115-R117 PolarHBondContact O-N 2.97Å; V115-R117 VanDerWaalsContact O-N 3.15Å; V115-F139 HydrophobicContact CB-CB 4.3Å; V115-F139 HydrophobicContact CG1-CB 4.11Å; V115-F139 HydrophobicContact CG2-CB 4.06Å; V115-I170 HydrophobicContact CG1-CB 4.09Å; V115-I170 HydrophobicContact CG1-CD1 3.94Å; V115-I170 HydrophobicContact CG1-CG1 4.27Å; V115-I170 HydrophobicContact CG2-CD1 4Å; V115-F172 HydrophobicContact CB-CE2 4.48Å; V115-F172 HydrophobicContact CB-CZ 4.48Å; V115-F172 HydrophobicContact CG2-CE2 4.28Å; V115-F172 HydrophobicContact CG2-CZ 3.81Å; V115-L184 HydrophobicContact CG2-CD1 3.58Å; V115-L184 HydrophobicContact CG2-CD2 4.14Å
116	L	91.7	Very high	92.8	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	85	174.1	-62.7	177.6	0	0	0	110.5	V108 L113 V120 V121 I124 M135 C138 F139 I140	V108-L116 HydrophobicContact CG1-CD2 3.96Å; L113-L116 HydrophobicContact CD2-CD2 3.76Å; L113-L116 HydrophobicContact CG-CD2 4.39Å; L116-V120 HydrophobicContact CD2-CG1 4.17Å; L116-V121 HydrophobicContact CB-CG2 4.11Å; L116-I124 HydrophobicContact CD2-CD1 4.38Å; L116-M135 HydrophobicContact CD1-CB 3.86Å; L116-M135 HydrophobicContact CD1-CG 3.63Å; L116-M135 HydrophobicContact CD1-SD 3.22Å; L116-M135 WeakPolarHBondContact CD1-SD 3.28Å; L116-C138 HydrophobicContact CD1-CB 3.99Å; L116-C138 HydrophobicContact CG-CB 4.03Å; L116-F139 PolarHBondContact N-O 3.35Å; L116-I140 HydrophobicContact CD1-CD1 4.31Å
117	R	90.3	Very high	92.8	Very high	56 Å²	56	26.2 Å²	26.2	21%	0.211	14%	0.136	C	C	.	.			trans	-79.4	163.3	176.5	-67.2	-177.4	59.9	-154	5.4	112.3	E90 V115 S119 V120 V121	E90-R117 IonicContact OE1-NH1 3.81Å; E90-R117 IonicContact OE2-CZ 2.82Å; E90-R117 IonicContact OE2-NE 3.95Å; E90-R117 IonicContact OE2-NH1 3.47Å; E90-R117 PolarHBondContact OE2-NH1 3.49Å; V115-R117 HydrophobicContact CB-CG 4.45Å; V115-R117 HydrophobicContact CG1-CG 3.76Å; V115-R117 PolarHBondContact O-N 2.97Å; V115-R117 VanDerWaalsContact O-N 3.15Å; R117-S119 PolarHBondContact O-N 3.48Å; R117-S119 VanDerWaalsContact O-N 3.08Å; R117-V120 PolarHBondContact O-N 2.98Å; R117-V121 VanDerWaalsContact O-CG2 3.27Å; R117-V121 WeakPolarHBondContact O-CG2 3.22Å; R117-V121 PolarHBondContact O-N 3.45Å
118	S	91	Very high	92.7	Very high	33 Å²	33	30.5 Å²	30.5	23%	0.231	15%	0.152	C	C	.	.	H	α-helix	trans	-46.2	-39.2	-179.9	-74.3	0	0	0	0	115.5	E122 W143 D169	S118-E122 WeakPolarHBondContact O-CB 3.28Å; S118-E122 VanDerWaalsContact O-CG 3.32Å; S118-E122 WeakPolarHBondContact O-CG 3.44Å; S118-E122 PolarHBondContact O-N 2.95Å; S118-W143 WeakPolarHBondContact OG-CZ3 3.43Å; S118-D169 PolarHBondContact OG-OD2 3.12Å
119	S	91.2	Very high	92.7	Very high	45 Å²	45	35.7 Å²	35.7	32%	0.315	17%	0.174	S	C	.	.	H	α-helix	trans	-61.6	-49.5	178.1	47.7	0	0	0	0	112.6	E90 R117 K123	E90-S119 WeakPolarHBondContact OE1-CB 3.36Å; E90-S119 PolarHBondContact OE1-OG 3.3Å; R117-S119 PolarHBondContact O-N 3.48Å; R117-S119 VanDerWaalsContact O-N 3.08Å; S119-K123 PolarHBondContact O-N 3.04Å
120	V	95	Very high	93.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-70.7	-44.1	178.2	173.6	0	0	0	0	110.5	E90 V93 L97 L113 L116 R117 E122 K123 I124	E90-V120 HydrophobicContact CG-CG2 3.67Å; V93-V120 HydrophobicContact CG1-CG1 3.91Å; V93-V120 HydrophobicContact CG1-CG2 4.37Å; L97-V120 HydrophobicContact CD1-CG1 3.74Å; L113-V120 HydrophobicContact CD2-CB 4.19Å; L113-V120 HydrophobicContact CD2-CG1 3.7Å; L113-V120 HydrophobicContact CD2-CG2 3.84Å; L116-V120 HydrophobicContact CD2-CG1 4.17Å; R117-V120 PolarHBondContact O-N 2.98Å; V120-E122 PolarHBondContact O-N 3.09Å; V120-K123 WeakPolarHBondContact O-CA 3.33Å; V120-K123 WeakPolarHBondContact O-CB 3.36Å; V120-K123 PolarHBondContact O-N 3.14Å; V120-I124 HydrophobicContact CG1-CD1 4.01Å; V120-I124 HydrophobicContact CG1-CG1 4.33Å; V120-I124 WeakPolarHBondContact O-CG1 3.5Å; V120-I124 PolarHBondContact O-N 3.04Å
121	V	96.3	Very high	93.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-57.5	-38.5	178.2	171.8	0	0	0	0	111.2	L116 R117 K123 I124 C125 A144 K147 L148	L116-V121 HydrophobicContact CB-CG2 4.11Å; R117-V121 VanDerWaalsContact O-CG2 3.27Å; R117-V121 WeakPolarHBondContact O-CG2 3.22Å; R117-V121 PolarHBondContact O-N 3.45Å; V121-K123 VanDerWaalsContact C-N 3.31Å; V121-K123 PolarHBondContact O-N 3.08Å; V121-I124 PolarHBondContact O-N 3.18Å; V121-C125 WeakPolarHBondContact O-CB 3.25Å; V121-C125 PolarHBondContact O-N 3.24Å; V121-C125 PolarHBondContact O-SG 3.28Å; V121-A144 HydrophobicContact CB-CB 4.48Å; V121-A144 HydrophobicContact CG1-CB 4.23Å; V121-A144 HydrophobicContact CG2-CB 3.72Å; V121-K147 HydrophobicContact CG1-CB 4.33Å; V121-K147 HydrophobicContact CG1-CD 4.16Å; V121-K147 HydrophobicContact CG1-CG 4.48Å; V121-L148 HydrophobicContact CG1-CD2 4.01Å; V121-L148 HydrophobicContact CG1-CG 4.02Å
122	E	96.8	Very high	94.2	Very high	58 Å²	58	38.3 Å²	38.3	27%	0.271	18%	0.177	S	C	.	.	H	α-helix	trans	-63.4	-37	174.9	-81.3	-71	-158.1	0	0	113.2	S118 V120 C125 Q126 K147 R151	S118-E122 WeakPolarHBondContact O-CB 3.28Å; S118-E122 VanDerWaalsContact O-CG 3.32Å; S118-E122 WeakPolarHBondContact O-CG 3.44Å; S118-E122 PolarHBondContact O-N 2.95Å; V120-E122 PolarHBondContact O-N 3.09Å; E122-C125 WeakPolarHBondContact O-CB 3.35Å; E122-C125 PolarHBondContact O-N 3.44Å; E122-Q126 WeakPolarHBondContact O-CG 3.29Å; E122-Q126 PolarHBondContact O-N 2.85Å; E122-K147 VanDerWaalsContact CG-NZ 3.31Å; E122-K147 WeakPolarHBondContact OE1-CE 3.46Å; E122-K147 IonicContact OE1-NZ 3.31Å; E122-K147 PolarHBondContact OE1-NZ 3.34Å; E122-K147 VanDerWaalsContact OE2-CE 3.31Å; E122-K147 WeakPolarHBondContact OE2-CE 3.27Å; E122-K147 IonicContact OE2-NZ 2.66Å; E122-R151 IonicContact OE1-NH1 3.27Å; E122-R151 IonicContact OE2-CZ 2.78Å; E122-R151 IonicContact OE2-NH1 2.74Å; E122-R151 PolarHBondContact OE2-NH1 3.28Å
123	K	97.3	Very high	94.7	Very high	60 Å²	60	38.2 Å²	38.2	26%	0.261	18%	0.176	S	C	.	.	H	α-helix	trans	-70.3	-40.2	175.7	-59.8	-57.3	-175.4	160.5	0	111.5	L97 S98 S119 V120 V121 C125 Q126	L97-K123 HydrophobicContact CB-CB 3.59Å; L97-K123 HydrophobicContact CB-CG 4.48Å; L97-K123 HydrophobicContact CD1-CB 3.84Å; L97-K123 HydrophobicContact CG-CB 4.37Å; S98-K123 WeakPolarHBondContact OG-CD 3.39Å; S98-K123 WeakPolarHBondContact OG-CE 3.29Å; S98-K123 PolarHBondContact OG-NZ 3.29Å; S119-K123 PolarHBondContact O-N 3.04Å; V120-K123 WeakPolarHBondContact O-CA 3.33Å; V120-K123 WeakPolarHBondContact O-CB 3.36Å; V120-K123 PolarHBondContact O-N 3.14Å; V121-K123 VanDerWaalsContact C-N 3.31Å; V121-K123 PolarHBondContact O-N 3.08Å; K123-C125 VanDerWaalsContact C-N 3.29Å; K123-C125 PolarHBondContact O-N 3.31Å; K123-Q126 WeakPolarHBondContact O-CB 3.47Å; K123-Q126 PolarHBondContact O-N 3.18Å; K123-Q126 VanDerWaalsContact O-N 3.11Å
124	I	97.8	Very high	95.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.4	-41.8	172.3	-60.2	174.4	0	0	0	110.3	L97 L106 L116 V120 V121 Q126 L127 L130 L133 L148 L152	L97-I124 HydrophobicContact CD1-CG1 3.82Å; L97-I124 HydrophobicContact CD2-CG1 4.25Å; L106-I124 HydrophobicContact CD2-CD1 4.38Å; L106-I124 HydrophobicContact CD2-CG1 4.01Å; L106-I124 HydrophobicContact CD2-CG2 4.22Å; L116-I124 HydrophobicContact CD2-CD1 4.38Å; V120-I124 HydrophobicContact CG1-CD1 4.01Å; V120-I124 HydrophobicContact CG1-CG1 4.33Å; V120-I124 WeakPolarHBondContact O-CG1 3.5Å; V120-I124 PolarHBondContact O-N 3.04Å; V121-I124 PolarHBondContact O-N 3.18Å; I124-Q126 PolarHBondContact O-N 3.13Å; I124-Q126 VanDerWaalsContact O-N 3.14Å; I124-L127 VanDerWaalsContact O-CB 3.28Å; I124-L127 WeakPolarHBondContact O-CB 3.48Å; I124-L127 WeakPolarHBondContact O-CG 3.46Å; I124-L127 PolarHBondContact O-N 3.28Å; I124-L130 HydrophobicContact CG2-CD2 4.08Å; I124-L133 HydrophobicContact CG2-CD1 4.36Å; I124-L133 HydrophobicContact CG2-CD2 4.43Å; I124-L148 HydrophobicContact CB-CD2 4.04Å; I124-L148 HydrophobicContact CG2-CD2 3.65Å; I124-L152 HydrophobicContact CG2-CD1 3.95Å
125	C	97.4	Very high	95.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.9	177.4	-71.2	0	0	0	0	114.5	V121 E122 K123 L127 K128 R151	V121-C125 WeakPolarHBondContact O-CB 3.25Å; V121-C125 PolarHBondContact O-N 3.24Å; V121-C125 PolarHBondContact O-SG 3.28Å; E122-C125 WeakPolarHBondContact O-CB 3.35Å; E122-C125 PolarHBondContact O-N 3.44Å; K123-C125 VanDerWaalsContact C-N 3.29Å; K123-C125 PolarHBondContact O-N 3.31Å; C125-L127 VanDerWaalsContact C-N 3.32Å; C125-K128 PolarHBondContact O-NZ 3.43Å; C125-R151 HydrophobicContact CB-CB 3.91Å; C125-R151 HydrophobicContact CB-CG 4.45Å
126	Q	96.5	Very high	95.4	Very high	105 Å²	105	37.8 Å²	37.8	49%	0.491	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-14.5	175.5	-69.8	166.3	6	0	0	112.1	E122 K123 I124 K128	E122-Q126 WeakPolarHBondContact O-CG 3.29Å; E122-Q126 PolarHBondContact O-N 2.85Å; K123-Q126 WeakPolarHBondContact O-CB 3.47Å; K123-Q126 PolarHBondContact O-N 3.18Å; K123-Q126 VanDerWaalsContact O-N 3.11Å; I124-Q126 PolarHBondContact O-N 3.13Å; I124-Q126 VanDerWaalsContact O-N 3.14Å; Q126-K128 VanDerWaalsContact C-N 3.35Å; Q126-K128 PolarHBondContact O-N 2.91Å
127	L	97.2	Very high	95.2	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.021	19%	0.192	C	C	.	.			trans	-79.3	75.7	-179.3	-51.6	178.5	0	0	0	111.5	L97 L100 V103 L106 I124 C125 K129 L130 L152	L97-L127 HydrophobicContact CD2-CD1 3.97Å; L100-L127 HydrophobicContact CB-CD2 3.98Å; L100-L127 WeakPolarHBondContact O-CD2 3.37Å; V103-L127 HydrophobicContact CG1-CD1 3.9Å; L106-L127 HydrophobicContact CD2-CD1 3.71Å; I124-L127 VanDerWaalsContact O-CB 3.28Å; I124-L127 WeakPolarHBondContact O-CB 3.48Å; I124-L127 WeakPolarHBondContact O-CG 3.46Å; I124-L127 PolarHBondContact O-N 3.28Å; C125-L127 VanDerWaalsContact C-N 3.32Å; L127-K129 PolarHBondContact O-N 3.13Å; L127-K129 VanDerWaalsContact O-N 3.13Å; L127-L130 HydrophobicContact CB-CB 3.97Å; L127-L130 HydrophobicContact CD1-CD2 4.41Å; L127-L130 WeakPolarHBondContact O-CB 3.36Å; L127-L130 PolarHBondContact O-N 2.79Å; L127-L130 VanDerWaalsContact O-N 3.07Å; L127-L152 WeakPolarHBondContact O-CD2 3.41Å
128	K	94.9	Very high	95.2	Very high	119 Å²	119	37.8 Å²	37.8	52%	0.517	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-16.2	-173	-62.1	-48.3	-172.7	-166.3	0	115.8	C125 Q126 R151 Q154	C125-K128 PolarHBondContact O-NZ 3.43Å; Q126-K128 VanDerWaalsContact C-N 3.35Å; Q126-K128 PolarHBondContact O-N 2.91Å; K128-R151 PolarHBondContact NZ-O 2.94Å; K128-Q154 PolarHBondContact O-NE2 3.04Å
129	K	96.5	Very high	95.1	Very high	110 Å²	110	36.4 Å²	36.4	48%	0.478	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-0.5	177.2	-63.9	-177.1	-178.2	177.7	0	113.1	N102 V103 Q104 L127 K131	N102-K129 PolarHBondContact OD1-NZ 2.94Å; V103-K129 CarbonylContact O-C 3.22Å; V103-K129 VanDerWaalsContact O-C 3.22Å; V103-K129 WeakPolarHBondContact O-CB 3.43Å; Q104-K129 WeakPolarHBondContact CA-O 3.22Å; Q104-K129 HydrophobicContact CG-CB 4.4Å; L127-K129 PolarHBondContact O-N 3.13Å; L127-K129 VanDerWaalsContact O-N 3.13Å; K129-K131 PolarHBondContact O-N 2.8Å
130	L	98.1	Very high	95.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.157	C	C	.	.			trans	-66.5	121.1	-175.7	-168.9	71.9	0	0	0	111	V103 L106 I124 L127 K132 L133 L152 Q154 I155	V103-L130 HydrophobicContact CG1-CD1 3.45Å; V103-L130 VanDerWaalsContact CG1-CD1 3.45Å; V103-L130 PolarHBondContact O-N 3.49Å; L106-L130 HydrophobicContact CB-CD1 3.46Å; L106-L130 VanDerWaalsContact CB-CD1 3.46Å; L106-L130 HydrophobicContact CB-CD2 4.43Å; I124-L130 HydrophobicContact CG2-CD2 4.08Å; L127-L130 HydrophobicContact CB-CB 3.97Å; L127-L130 HydrophobicContact CD1-CD2 4.41Å; L127-L130 WeakPolarHBondContact O-CB 3.36Å; L127-L130 PolarHBondContact O-N 2.79Å; L127-L130 VanDerWaalsContact O-N 3.07Å; L130-K132 WeakPolarHBondContact CD1-O 3.29Å; L130-L133 HydrophobicContact CD2-CB 4.17Å; L130-L133 HydrophobicContact CD2-CD1 4.22Å; L130-L152 HydrophobicContact CD2-CD1 4.13Å; L130-Q154 VanDerWaalsContact O-CG 3.3Å; L130-Q154 WeakPolarHBondContact O-CG 3.44Å; L130-Q154 PolarHBondContact O-NE2 2.86Å; L130-I155 HydrophobicContact CB-CD1 4.31Å; L130-I155 HydrophobicContact CD2-CD1 3.96Å; L130-I155 HydrophobicContact CG-CD1 3.85Å; L130-I155 WeakPolarHBondContact O-CD1 3.29Å
131	K	97.7	Very high	95	Very high	88 Å²	88	34.5 Å²	34.5	38%	0.383	16%	0.158	S	C	.	.			trans	-110.5	-33.8	177.2	-69.3	-175.7	168.2	-133.7	0	112.7	Q104 K129 I155 E156 E157	Q104-K131 PolarHBondContact O-N 2.86Å; K129-K131 PolarHBondContact O-N 2.8Å; K131-I155 CarbonylContact O-C 3.6Å; K131-I155 WeakPolarHBondContact O-CA 3.43Å; K131-E156 WeakPolarHBondContact CE-OE1 3.48Å; K131-E156 IonicContact NZ-OE1 2.82Å; K131-E156 PolarHBondContact NZ-OE1 3.01Å; K131-E156 IonicContact NZ-OE2 2.69Å; K131-E156 PolarHBondContact O-N 2.93Å; K131-E157 PolarHBondContact O-N 2.95Å; K131-E157 VanDerWaalsContact O-N 3.07Å
132	K	98.1	Very high	94.7	Very high	62 Å²	62	36 Å²	36	27%	0.27	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	125.6	178.5	177.1	175.4	-179.1	-178.5	0	110.3	Q104 E105 L106 L130 E157	Q104-K132 PolarHBondContact O-N 3.31Å; E105-K132 WeakPolarHBondContact CA-O 3.29Å; E105-K132 HydrophobicContact CB-CB 4.08Å; E105-K132 HydrophobicContact CB-CD 4.32Å; E105-K132 HydrophobicContact CG-CB 3.91Å; E105-K132 HydrophobicContact CG-CD 4.21Å; L106-K132 PolarHBondContact N-O 2.97Å; L130-K132 WeakPolarHBondContact CD1-O 3.29Å; K132-E157 WeakPolarHBondContact CA-O 3.25Å; K132-E157 HydrophobicContact CB-CB 4.02Å; K132-E157 HydrophobicContact CD-CB 4.36Å; K132-E157 WeakPolarHBondContact CD-OE2 3.4Å; K132-E157 WeakPolarHBondContact CE-OE2 3.24Å; K132-E157 HydrophobicContact CG-CB 3.84Å; K132-E157 IonicContact NZ-OE2 3.63Å
133	L	98.1	Very high	94.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	116.4	176.8	177.4	58.1	0	0	0	109.8	L106 I124 L130 M135 L148 I155 E157 L158 C159	L106-L133 HydrophobicContact CB-CD1 4.46Å; L106-L133 HydrophobicContact CD2-CD1 4.15Å; L106-L133 HydrophobicContact CG-CD1 4.42Å; I124-L133 HydrophobicContact CG2-CD1 4.36Å; I124-L133 HydrophobicContact CG2-CD2 4.43Å; L130-L133 HydrophobicContact CD2-CB 4.17Å; L130-L133 HydrophobicContact CD2-CD1 4.22Å; L133-M135 HydrophobicContact CD1-CG 3.74Å; L133-M135 HydrophobicContact CD1-SD 4.05Å; L133-M135 HydrophobicContact CD2-CE 3.76Å; L133-M135 HydrophobicContact CD2-CG 4.32Å; L133-M135 HydrophobicContact CD2-SD 3.68Å; L133-M135 HydrophobicContact CG-CE 4.04Å; L133-M135 HydrophobicContact CG-CG 3.83Å; L133-M135 HydrophobicContact CG-SD 3.88Å; L133-L148 HydrophobicContact CD2-CD1 4.22Å; L133-I155 HydrophobicContact CB-CD1 4.01Å; L133-E157 PolarHBondContact N-O 2.87Å; L133-L158 HydrophobicContact CB-CD1 4.19Å; L133-L158 HydrophobicContact CD2-CD1 4.33Å; L133-L158 HydrophobicContact CG-CD1 4.3Å; L133-L158 WeakPolarHBondContact O-CA 3.43Å; L133-C159 PolarHBondContact O-N 2.91Å
134	D	97.6	Very high	94.3	Very high	23 Å²	23	36.7 Å²	36.7	12%	0.123	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	120.1	172.7	-170.3	-25.6	0	0	0	109.5	L106 T107 V108 N136 C159	L106-D134 PolarHBondContact O-N 3.19Å; T107-D134 HydrophobicContact CG2-CB 4.02Å; V108-D134 PolarHBondContact N-O 3.32Å; D134-N136 VanDerWaalsContact OD1-CB 3.24Å; D134-N136 WeakPolarHBondContact OD1-CB 3.2Å; D134-N136 PolarHBondContact OD1-N 2.83Å; D134-N136 PolarHBondContact OD1-OD1 2.89Å; D134-C159 HydrophobicContact CB-CB 3.87Å; D134-C159 VanDerWaalsContact CG-CB 3.42Å; D134-C159 VanDerWaalsContact CG-SG 3.52Å; D134-C159 PolarHBondContact OD1-SG 3.42Å; D134-C159 VanDerWaalsContact OD1-SG 3.38Å; D134-C159 WeakPolarHBondContact OD2-CB 3.16Å; D134-C159 PolarHBondContact OD2-SG 3.26Å; D134-C159 VanDerWaalsContact OD2-SG 3.32Å
135	M	94.6	Very high	94.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.168	C	C	.	.			trans	-126.7	35.4	179.1	-60.9	178.1	-60.5	0	0	110.1	L116 L133 C138 I140 L148 L158 C159 L160 T163	L116-M135 HydrophobicContact CD1-CB 3.86Å; L116-M135 HydrophobicContact CD1-CG 3.63Å; L116-M135 HydrophobicContact CD1-SD 3.22Å; L116-M135 WeakPolarHBondContact CD1-SD 3.28Å; L133-M135 HydrophobicContact CD1-CG 3.74Å; L133-M135 HydrophobicContact CD1-SD 4.05Å; L133-M135 HydrophobicContact CD2-CE 3.76Å; L133-M135 HydrophobicContact CD2-CG 4.32Å; L133-M135 HydrophobicContact CD2-SD 3.68Å; L133-M135 HydrophobicContact CG-CE 4.04Å; L133-M135 HydrophobicContact CG-CG 3.83Å; L133-M135 HydrophobicContact CG-SD 3.88Å; M135-C138 HydrophobicContact CB-CB 4.36Å; M135-C138 VanDerWaalsContact O-CB 3.28Å; M135-C138 WeakPolarHBondContact O-CB 3.25Å; M135-C138 PolarHBondContact O-N 2.79Å; M135-I140 HydrophobicContact CE-CD1 4.21Å; M135-I140 HydrophobicContact SD-CD1 4.24Å; M135-L148 HydrophobicContact CE-CD1 4.04Å; M135-L148 HydrophobicContact SD-CD1 3.83Å; M135-L158 HydrophobicContact CE-CD1 4.07Å; M135-C159 PolarHBondContact N-O 3.2Å; M135-L160 HydrophobicContact CE-CD2 3.77Å; M135-T163 PolarHBondContact O-OG1 2.84Å
136	N	90	Very high	94	Very high	30 Å²	30	43.9 Å²	43.9	16%	0.16	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	141.8	-179	68.3	-22.4	0	0	0	111.7	P109 G110 D134 C138 R161	P109-N136 VanDerWaalsContact CA-OD1 3.24Å; P109-N136 WeakPolarHBondContact CA-OD1 3.31Å; G110-N136 PolarHBondContact N-O 3.46Å; D134-N136 VanDerWaalsContact OD1-CB 3.24Å; D134-N136 WeakPolarHBondContact OD1-CB 3.2Å; D134-N136 PolarHBondContact OD1-N 2.83Å; D134-N136 PolarHBondContact OD1-OD1 2.89Å; N136-C138 PolarHBondContact O-N 3.07Å; N136-R161 CarbonylContact C-O 3.28Å; N136-R161 VanDerWaalsContact CA-O 3.23Å; N136-R161 WeakPolarHBondContact CA-O 3.47Å; N136-R161 HydrophobicContact CB-CB 4.05Å
137	N	87.3	Confident	93.9	Very high	57 Å²	57	40.4 Å²	40.4	31%	0.305	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	3.3	-179.1	-64.7	-61.6	0	0	0	116.4	R161 N162	N137-R161 PolarHBondContact N-O 3.22Å; N137-N162 WeakPolarHBondContact CA-O 3.33Å; N137-N162 WeakPolarHBondContact OD1-CB 3.46Å
138	C	89.8	Confident	93.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.177	C	C	.	.			trans	-78.8	156.3	178.6	-67.1	0	0	0	0	112.9	V108 L113 R114 L116 M135 N136 T163 K164	V108-C138 PolarHBondContact O-SG 3.09Å; L113-C138 PolarHBondContact O-SG 2.87Å; R114-C138 CarbonylContact O-C 3.55Å; L116-C138 HydrophobicContact CD1-CB 3.99Å; L116-C138 HydrophobicContact CG-CB 4.03Å; M135-C138 HydrophobicContact CB-CB 4.36Å; M135-C138 VanDerWaalsContact O-CB 3.28Å; M135-C138 WeakPolarHBondContact O-CB 3.25Å; M135-C138 PolarHBondContact O-N 2.79Å; N136-C138 PolarHBondContact O-N 3.07Å; C138-T163 CarbonylContact O-C 3.46Å; C138-T163 WeakPolarHBondContact O-CA 3.26Å; C138-T163 WeakPolarHBondContact O-CG2 3.43Å; C138-K164 PolarHBondContact O-N 3.04Å
139	F	90.1	Very high	93.9	Very high	4 Å²	4	35 Å²	35	2%	0.018	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	132.6	158.6	-82.9	-94.1	0	0	0	110.3	R114 V115 L116 K164 T166 I170 A180 Y183 L184 F201	R114-F139 WeakPolarHBondContact O-CB 3.4Å; R114-F139 PolarHBondContact O-N 3.13Å; V115-F139 HydrophobicContact CB-CB 4.3Å; V115-F139 HydrophobicContact CG1-CB 4.11Å; V115-F139 HydrophobicContact CG2-CB 4.06Å; L116-F139 PolarHBondContact N-O 3.35Å; F139-K164 CarbonylContact C-O 3.48Å; F139-K164 WeakPolarHBondContact CA-O 3.49Å; F139-K164 HydrophobicContact CD1-CB 3.57Å; F139-K164 HydrophobicContact CD2-CB 4.15Å; F139-K164 HydrophobicContact CD2-CD 4.24Å; F139-K164 HydrophobicContact CE1-CB 3.34Å; F139-K164 HydrophobicContact CE1-CG 3.97Å; F139-K164 HydrophobicContact CE2-CB 3.94Å; F139-K164 HydrophobicContact CE2-CD 3.75Å; F139-K164 HydrophobicContact CE2-CG 3.95Å; F139-K164 HydrophobicContact CG-CB 3.94Å; F139-K164 HydrophobicContact CZ-CB 3.48Å; F139-K164 VanDerWaalsContact CZ-CB 3.48Å; F139-K164 HydrophobicContact CZ-CD 3.94Å; F139-K164 HydrophobicContact CZ-CG 3.59Å; F139-T166 HydrophobicContact CD1-CG2 3.7Å; F139-T166 HydrophobicContact CE1-CG2 4.13Å; F139-I170 HydrophobicContact CB-CD1 3.93Å; F139-I170 HydrophobicContact CD1-CD1 3.7Å; F139-I170 HydrophobicContact CE1-CD1 4.48Å; F139-I170 HydrophobicContact CG-CD1 3.87Å; F139-A180 HydrophobicContact CE1-CB 4.49Å; F139-Y183 HydrophobicContact CE1-CD1 4.32Å; F139-Y183 AromaticContact CE2-CD1 3.89Å; F139-Y183 HydrophobicContact CE2-CD1 3.89Å; F139-Y183 AromaticContact CE2-CE1 3.9Å; F139-Y183 HydrophobicContact CE2-CE1 3.9Å; F139-Y183 AromaticContact CZ-CD1 3.31Å; F139-Y183 HydrophobicContact CZ-CD1 3.31Å; F139-Y183 AromaticContact CZ-CE1 3.43Å; F139-Y183 HydrophobicContact CZ-CE1 3.43Å; F139-Y183 VanDerWaalsContact CZ-CE1 3.43Å; F139-L184 HydrophobicContact CD2-CD2 3.69Å; F139-L184 HydrophobicContact CD2-CG 4.38Å; F139-L184 HydrophobicContact CE2-CD2 3.71Å; F139-L184 HydrophobicContact CE2-CG 4.25Å; F139-F201 HydrophobicContact CE1-CD2 4.47Å; F139-F201 HydrophobicContact CE1-CG 4.4Å
140	I	92.6	Very high	93.9	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	134.7	173.1	-171.2	164.2	0	0	0	110.6	L116 M135 A144 L145 L148 T163 K164 F165 T166	L116-I140 HydrophobicContact CD1-CD1 4.31Å; M135-I140 HydrophobicContact CE-CD1 4.21Å; M135-I140 HydrophobicContact SD-CD1 4.24Å; I140-A144 HydrophobicContact CD1-CB 4.24Å; I140-A144 HydrophobicContact CG1-CB 3.71Å; I140-L145 HydrophobicContact CD1-CB 4.07Å; I140-L145 HydrophobicContact CD1-CD1 4.18Å; I140-L145 HydrophobicContact CG1-CB 4.29Å; I140-L148 HydrophobicContact CD1-CD1 3.56Å; I140-T163 HydrophobicContact CG2-CG2 3.77Å; I140-K164 PolarHBondContact N-O 3.48Å; I140-F165 HydrophobicContact CG2-CD1 3.79Å; I140-F165 HydrophobicContact CG2-CE1 3.94Å; I140-F165 WeakPolarHBondContact O-CA 3.44Å; I140-T166 PolarHBondContact O-N 3.48Å
141	S	90.7	Very high	93.8	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.021	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	153.4	174.5	75.9	0	0	0	0	111.4	W143 A144 L145 T166 D169	S141-W143 PolarHBondContact O-N 3Å; S141-A144 WeakPolarHBondContact O-CB 3.39Å; S141-A144 PolarHBondContact O-N 2.79Å; S141-A144 VanDerWaalsContact O-N 3.11Å; S141-A144 WeakPolarHBondContact OG-CB 3.46Å; S141-A144 PolarHBondContact OG-N 3.26Å; S141-L145 PolarHBondContact O-N 2.92Å; S141-T166 CarbonylContact C-O 3.43Å; S141-T166 VanDerWaalsContact CA-O 3.26Å; S141-T166 WeakPolarHBondContact CA-O 3.31Å; S141-T166 WeakPolarHBondContact CA-OG1 3.21Å; S141-D169 WeakPolarHBondContact CB-OD1 3.37Å; S141-D169 PolarHBondContact OG-OD1 3.12Å
142	S	89.2	Confident	93.8	Very high	31 Å²	31	39.1 Å²	39.1	22%	0.217	17%	0.17	C	C	.	.	H	α-helix	trans	-56.7	-31.6	174	70.2	0	0	0	0	112.6	R146 T166 Y167	S142-R146 WeakPolarHBondContact O-CB 3.4Å; S142-R146 PolarHBondContact O-N 3Å; S142-T166 PolarHBondContact N-O 3.28Å; S142-Y167 PolarHBondContact OG-O 3.4Å
143	W	90.9	Very high	93.6	Very high	134 Å²	134	39.5 Å²	39.5	51%	0.508	18%	0.179	S	C	.	.	H	α-helix	trans	-71.8	-45.4	176	-168.3	85.4	0	0	0	111.8	S118 S141 R146 K147	S118-W143 WeakPolarHBondContact OG-CZ3 3.43Å; S141-W143 PolarHBondContact O-N 3Å; W143-R146 PolarHBondContact O-N 3.18Å; W143-K147 HydrophobicContact CE3-CD 4.4Å; W143-K147 HydrophobicContact CH2-CD 4.1Å; W143-K147 HydrophobicContact CZ3-CD 3.86Å; W143-K147 WeakPolarHBondContact O-CB 2.88Å; W143-K147 PolarHBondContact O-N 3.39Å
144	A	94.4	Very high	93.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.1	-45.8	174.2	0	0	0	0	0	111.9	V121 I140 S141 K147 L148	V121-A144 HydrophobicContact CB-CB 4.48Å; V121-A144 HydrophobicContact CG1-CB 4.23Å; V121-A144 HydrophobicContact CG2-CB 3.72Å; I140-A144 HydrophobicContact CD1-CB 4.24Å; I140-A144 HydrophobicContact CG1-CB 3.71Å; S141-A144 WeakPolarHBondContact O-CB 3.39Å; S141-A144 PolarHBondContact O-N 2.79Å; S141-A144 VanDerWaalsContact O-N 3.11Å; S141-A144 WeakPolarHBondContact OG-CB 3.46Å; S141-A144 PolarHBondContact OG-N 3.26Å; A144-K147 WeakPolarHBondContact O-CB 3.31Å; A144-K147 PolarHBondContact O-N 3.32Å; A144-K147 VanDerWaalsContact O-N 3.12Å; A144-L148 WeakPolarHBondContact O-CG 3.3Å; A144-L148 PolarHBondContact O-N 2.98Å
145	L	94.8	Very high	93.5	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-61.8	-46.5	177.7	-174.9	63.6	0	0	0	111.6	I140 S141 K147 L148 T149 F165 V208 K211 L212 W215	I140-L145 HydrophobicContact CD1-CB 4.07Å; I140-L145 HydrophobicContact CD1-CD1 4.18Å; I140-L145 HydrophobicContact CG1-CB 4.29Å; S141-L145 PolarHBondContact O-N 2.92Å; L145-K147 PolarHBondContact O-N 3.25Å; L145-L148 PolarHBondContact O-N 3.26Å; L145-T149 VanDerWaalsContact O-CG2 3.31Å; L145-T149 WeakPolarHBondContact O-CG2 3.45Å; L145-T149 PolarHBondContact O-N 3.49Å; L145-T149 PolarHBondContact O-OG1 3.24Å; L145-F165 HydrophobicContact CD2-CD1 4.35Å; L145-F165 HydrophobicContact CD2-CE1 4.24Å; L145-V208 HydrophobicContact CD2-CG1 3.84Å; L145-K211 HydrophobicContact CD2-CB 3.99Å; L145-K211 HydrophobicContact CG-CB 4Å; L145-L212 HydrophobicContact CD1-CD2 4.49Å; L145-L212 HydrophobicContact CD2-CD2 4.33Å; L145-W215 HydrophobicContact CD1-CH2 3.66Å; L145-W215 HydrophobicContact CD1-CZ3 3.98Å
146	R	94.4	Very high	93.6	Very high	149 Å²	149	43.4 Å²	43.4	56%	0.562	20%	0.196	S	C	*	.	H	α-helix	trans	-56.7	-36	174.3	-179.9	-179.5	-176.2	177.3	1	112.2	S142 W143 T149 K150 K211	S142-R146 WeakPolarHBondContact O-CB 3.4Å; S142-R146 PolarHBondContact O-N 3Å; W143-R146 PolarHBondContact O-N 3.18Å; R146-T149 WeakPolarHBondContact CA-OG1 3.31Å; R146-T149 PolarHBondContact O-OG1 3.42Å; R146-K150 WeakPolarHBondContact O-CB 3.48Å; R146-K150 PolarHBondContact O-N 3.46Å; R146-K150 VanDerWaalsContact O-N 3.08Å; R146-K211 HydrophobicContact CB-CD 3.86Å; R146-K211 HydrophobicContact CB-CG 4.28Å; R146-K211 HydrophobicContact CG-CD 4.04Å
147	K	95.7	Very high	93.9	Very high	32 Å²	32	45.4 Å²	45.4	14%	0.139	21%	0.205	C	C	.	.	H	α-helix	trans	-71.3	-44	-179.6	-166.4	173.1	-173.1	171.2	0	111.4	V121 E122 W143 A144 L145 K150 R151	V121-K147 HydrophobicContact CG1-CB 4.33Å; V121-K147 HydrophobicContact CG1-CD 4.16Å; V121-K147 HydrophobicContact CG1-CG 4.48Å; E122-K147 VanDerWaalsContact CG-NZ 3.31Å; E122-K147 WeakPolarHBondContact OE1-CE 3.46Å; E122-K147 IonicContact OE1-NZ 3.31Å; E122-K147 PolarHBondContact OE1-NZ 3.34Å; E122-K147 VanDerWaalsContact OE2-CE 3.31Å; E122-K147 WeakPolarHBondContact OE2-CE 3.27Å; E122-K147 IonicContact OE2-NZ 2.66Å; W143-K147 HydrophobicContact CE3-CD 4.4Å; W143-K147 HydrophobicContact CH2-CD 4.1Å; W143-K147 HydrophobicContact CZ3-CD 3.86Å; W143-K147 WeakPolarHBondContact O-CB 2.88Å; W143-K147 PolarHBondContact O-N 3.39Å; A144-K147 WeakPolarHBondContact O-CB 3.31Å; A144-K147 PolarHBondContact O-N 3.32Å; A144-K147 VanDerWaalsContact O-N 3.12Å; L145-K147 PolarHBondContact O-N 3.25Å; K147-K150 PolarHBondContact O-N 3.35Å; K147-R151 WeakPolarHBondContact O-CB 3.42Å; K147-R151 WeakPolarHBondContact O-CG 3.26Å; K147-R151 PolarHBondContact O-N 3.14Å
148	L	97.2	Very high	94.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-57.9	-49.4	172.7	-67.9	172.8	0	0	0	110.6	V121 I124 L133 M135 I140 A144 L145 K150 R151 L152 W215	V121-L148 HydrophobicContact CG1-CD2 4.01Å; V121-L148 HydrophobicContact CG1-CG 4.02Å; I124-L148 HydrophobicContact CB-CD2 4.04Å; I124-L148 HydrophobicContact CG2-CD2 3.65Å; L133-L148 HydrophobicContact CD2-CD1 4.22Å; M135-L148 HydrophobicContact CE-CD1 4.04Å; M135-L148 HydrophobicContact SD-CD1 3.83Å; I140-L148 HydrophobicContact CD1-CD1 3.56Å; A144-L148 WeakPolarHBondContact O-CG 3.3Å; A144-L148 PolarHBondContact O-N 2.98Å; L145-L148 PolarHBondContact O-N 3.26Å; L148-K150 VanDerWaalsContact C-N 3.33Å; L148-K150 PolarHBondContact O-N 3.17Å; L148-R151 PolarHBondContact O-N 3.5Å; L148-L152 HydrophobicContact CD2-CD1 3.89Å; L148-L152 WeakPolarHBondContact O-CB 3.19Å; L148-L152 PolarHBondContact O-N 3.12Å; L148-W215 HydrophobicContact CB-CH2 4.46Å; L148-W215 HydrophobicContact CB-CZ2 4.01Å
149	T	94.6	Very high	94.6	Very high	10 Å²	10	43.3 Å²	43.3	6%	0.061	19%	0.194	C	C	.	.	H	α-helix	trans	-62.6	-38.9	-178	62.8	0	0	0	0	112.6	L145 R146 K211 W215	L145-T149 VanDerWaalsContact O-CG2 3.31Å; L145-T149 WeakPolarHBondContact O-CG2 3.45Å; L145-T149 PolarHBondContact O-N 3.49Å; L145-T149 PolarHBondContact O-OG1 3.24Å; R146-T149 WeakPolarHBondContact CA-OG1 3.31Å; R146-T149 PolarHBondContact O-OG1 3.42Å; T149-K211 HydrophobicContact CG2-CB 4.08Å; T149-K211 WeakPolarHBondContact CG2-O 3.49Å; T149-W215 HydrophobicContact CG2-CD2 3.67Å; T149-W215 VanDerWaalsContact CG2-CE2 3.5Å; T149-W215 HydrophobicContact CG2-CE3 3.7Å; T149-W215 HydrophobicContact CG2-CH2 3.47Å; T149-W215 VanDerWaalsContact CG2-CH2 3.47Å; T149-W215 HydrophobicContact CG2-CZ2 3.42Å; T149-W215 VanDerWaalsContact CG2-CZ2 3.42Å; T149-W215 HydrophobicContact CG2-CZ3 3.58Å
150	K	95.3	Very high	94.7	Very high	175 Å²	175	43.1 Å²	43.1	76%	0.761	19%	0.193	S	C	*	.	H	α-helix	trans	-69.7	-36.7	176.5	-175.1	176	179.1	179.7	0	113.2	R146 K147 L148	R146-K150 WeakPolarHBondContact O-CB 3.48Å; R146-K150 PolarHBondContact O-N 3.46Å; R146-K150 VanDerWaalsContact O-N 3.08Å; K147-K150 PolarHBondContact O-N 3.35Å; L148-K150 VanDerWaalsContact C-N 3.33Å; L148-K150 PolarHBondContact O-N 3.17Å
151	R	96.9	Very high	94.4	Very high	109 Å²	109	46.8 Å²	46.8	41%	0.411	21%	0.207	S	C	.	.	H	α-helix	trans	-99.3	-11.4	-170.1	-59.6	-167.6	95.5	-178.3	10.9	114.2	E122 C125 K128 K147 L148 P153	E122-R151 IonicContact OE1-NH1 3.27Å; E122-R151 IonicContact OE2-CZ 2.78Å; E122-R151 IonicContact OE2-NH1 2.74Å; E122-R151 PolarHBondContact OE2-NH1 3.28Å; C125-R151 HydrophobicContact CB-CB 3.91Å; C125-R151 HydrophobicContact CB-CG 4.45Å; K128-R151 PolarHBondContact NZ-O 2.94Å; K147-R151 WeakPolarHBondContact O-CB 3.42Å; K147-R151 WeakPolarHBondContact O-CG 3.26Å; K147-R151 PolarHBondContact O-N 3.14Å; L148-R151 PolarHBondContact O-N 3.5Å; R151-P153 VanDerWaalsContact C-CD 3.46Å
152	L	97	Very high	94	Very high	0 Å²	0	49 Å²	49	0%	0	22%	0.218	C	C	.	.			trans	-131.2	62	179.3	-57.3	170.3	0	0	0	111.3	I124 L127 L130 L148 Q154 I155 W215	I124-L152 HydrophobicContact CG2-CD1 3.95Å; L127-L152 WeakPolarHBondContact O-CD2 3.41Å; L130-L152 HydrophobicContact CD2-CD1 4.13Å; L148-L152 HydrophobicContact CD2-CD1 3.89Å; L148-L152 WeakPolarHBondContact O-CB 3.19Å; L148-L152 PolarHBondContact O-N 3.12Å; L152-Q154 VanDerWaalsContact C-OE1 3.31Å; L152-Q154 PolarHBondContact O-N 2.95Å; L152-I155 HydrophobicContact CB-CG1 3.97Å; L152-I155 WeakPolarHBondContact O-CG1 3.16Å; L152-W215 VanDerWaalsContact O-CD1 3.27Å; L152-W215 PolarHBondContact O-NE1 3.49Å
153	P	95.3	Very high	94	Very high	70 Å²	70	47.5 Å²	47.5	46%	0.455	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-12.1	179.4	30.1	-37.5	0	0	0	114.2	R151 I155 N217	R151-P153 VanDerWaalsContact C-CD 3.46Å; P153-I155 VanDerWaalsContact C-N 3.34Å; P153-N217 PolarHBondContact O-ND2 3.48Å
154	Q	95.7	Very high	93.8	Very high	48 Å²	48	41.8 Å²	41.8	22%	0.224	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	5.5	-177.4	77.3	-70.7	-13.5	0	0	114.6	K128 L130 L152 E156	K128-Q154 PolarHBondContact O-NE2 3.04Å; L130-Q154 VanDerWaalsContact O-CG 3.3Å; L130-Q154 WeakPolarHBondContact O-CG 3.44Å; L130-Q154 PolarHBondContact O-NE2 2.86Å; L152-Q154 VanDerWaalsContact C-OE1 3.31Å; L152-Q154 PolarHBondContact O-N 2.95Å; Q154-E156 PolarHBondContact O-N 3.24Å
155	I	97.6	Very high	93.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	19%	0.191	C	C	.	.			trans	-64.7	128.3	176.6	-64.5	-70.2	0	0	0	109.9	L130 K131 L133 L152 P153 E157 L158 W215 N217 L218	L130-I155 HydrophobicContact CB-CD1 4.31Å; L130-I155 HydrophobicContact CD2-CD1 3.96Å; L130-I155 HydrophobicContact CG-CD1 3.85Å; L130-I155 WeakPolarHBondContact O-CD1 3.29Å; K131-I155 CarbonylContact O-C 3.6Å; K131-I155 WeakPolarHBondContact O-CA 3.43Å; L133-I155 HydrophobicContact CB-CD1 4.01Å; L152-I155 HydrophobicContact CB-CG1 3.97Å; L152-I155 WeakPolarHBondContact O-CG1 3.16Å; P153-I155 VanDerWaalsContact C-N 3.34Å; I155-E157 WeakPolarHBondContact CG2-O 3.28Å; I155-L158 HydrophobicContact CG2-CB 4.4Å; I155-W215 HydrophobicContact CB-CG 4.48Å; I155-N217 CarbonylContact O-C 3.55Å; I155-L218 HydrophobicContact CG2-CD1 3.97Å
156	E	96.5	Very high	93.2	Very high	58 Å²	58	43.2 Å²	43.2	27%	0.271	19%	0.194	S	C	.	.			trans	-108.8	-31.3	179	-65.1	172.2	-159	0	0	111.2	K131 Q154 R219 K220	K131-E156 WeakPolarHBondContact CE-OE1 3.48Å; K131-E156 IonicContact NZ-OE1 2.82Å; K131-E156 PolarHBondContact NZ-OE1 3.01Å; K131-E156 IonicContact NZ-OE2 2.69Å; K131-E156 PolarHBondContact O-N 2.93Å; Q154-E156 PolarHBondContact O-N 3.24Å; E156-R219 PolarHBondContact O-N 3.03Å; E156-K220 PolarHBondContact O-N 2.9Å
157	E	96.5	Very high	92.6	Very high	71 Å²	71	43 Å²	43	33%	0.332	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128.9	177.2	-57.7	-166.6	-168.9	0	0	111.1	K131 K132 L133 I155 K220	K131-E157 PolarHBondContact O-N 2.95Å; K131-E157 VanDerWaalsContact O-N 3.07Å; K132-E157 WeakPolarHBondContact CA-O 3.25Å; K132-E157 HydrophobicContact CB-CB 4.02Å; K132-E157 HydrophobicContact CD-CB 4.36Å; K132-E157 WeakPolarHBondContact CD-OE2 3.4Å; K132-E157 WeakPolarHBondContact CE-OE2 3.24Å; K132-E157 HydrophobicContact CG-CB 3.84Å; K132-E157 IonicContact NZ-OE2 3.63Å; L133-E157 PolarHBondContact N-O 2.87Å; I155-E157 WeakPolarHBondContact CG2-O 3.28Å; E157-K220 WeakPolarHBondContact CA-O 3.41Å; E157-K220 HydrophobicContact CB-CB 4.29Å; E157-K220 HydrophobicContact CG-CB 3.95Å; E157-K220 HydrophobicContact CG-CD 4.49Å
158	L	96.3	Very high	92	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.016	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	123.3	177.6	-174.8	73.6	0	0	0	110.3	L133 M135 I155 L160 L212 W215 L218 K220 L221 D222	L133-L158 HydrophobicContact CB-CD1 4.19Å; L133-L158 HydrophobicContact CD2-CD1 4.33Å; L133-L158 HydrophobicContact CG-CD1 4.3Å; L133-L158 WeakPolarHBondContact O-CA 3.43Å; M135-L158 HydrophobicContact CE-CD1 4.07Å; I155-L158 HydrophobicContact CG2-CB 4.4Å; L158-L160 HydrophobicContact CD1-CD2 4.08Å; L158-L160 HydrophobicContact CD2-CD1 3.69Å; L158-L160 HydrophobicContact CD2-CD2 4.02Å; L158-L160 HydrophobicContact CD2-CG 3.8Å; L158-L160 HydrophobicContact CG-CD1 4.33Å; L158-L160 HydrophobicContact CG-CD2 3.95Å; L158-L160 HydrophobicContact CG-CG 3.87Å; L158-L212 HydrophobicContact CD2-CD2 3.89Å; L158-W215 HydrophobicContact CD1-CH2 4.07Å; L158-W215 HydrophobicContact CD1-CZ3 4.17Å; L158-W215 HydrophobicContact CD2-CE3 3.7Å; L158-W215 HydrophobicContact CD2-CH2 3.98Å; L158-W215 HydrophobicContact CD2-CZ3 3.24Å; L158-W215 HydrophobicContact CG-CZ3 4.33Å; L158-L218 HydrophobicContact CB-CD1 3.61Å; L158-L218 HydrophobicContact CB-CD2 4.41Å; L158-K220 PolarHBondContact N-O 3.34Å; L158-L221 HydrophobicContact CB-CD1 4.25Å; L158-L221 HydrophobicContact CD2-CD1 3.95Å; L158-L221 HydrophobicContact CG-CD1 4.41Å; L158-L221 WeakPolarHBondContact O-CA 3.39Å; L158-D222 PolarHBondContact O-N 2.63Å
159	C	94.9	Very high	91.2	Very high	11 Å²	11	53.3 Å²	53.3	7%	0.074	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	115.8	172.7	179.3	0	0	0	0	110.1	L133 D134 M135 D222	L133-C159 PolarHBondContact O-N 2.91Å; D134-C159 HydrophobicContact CB-CB 3.87Å; D134-C159 VanDerWaalsContact CG-CB 3.42Å; D134-C159 VanDerWaalsContact CG-SG 3.52Å; D134-C159 PolarHBondContact OD1-SG 3.42Å; D134-C159 VanDerWaalsContact OD1-SG 3.38Å; D134-C159 WeakPolarHBondContact OD2-CB 3.16Å; D134-C159 PolarHBondContact OD2-SG 3.26Å; D134-C159 VanDerWaalsContact OD2-SG 3.32Å; M135-C159 PolarHBondContact N-O 3.2Å; C159-D222 HydrophobicContact CB-CB 4.2Å
160	L	92.7	Very high	90.4	Very high	0 Å²	0	53 Å²	53	0%	0	24%	0.235	C	C	.	.			trans	-116.6	26.5	177.8	-57	178.3	0	0	0	111	M135 L158 N162 T163 F165 L212 L221 D222 L223 C226	M135-L160 HydrophobicContact CE-CD2 3.77Å; L158-L160 HydrophobicContact CD1-CD2 4.08Å; L158-L160 HydrophobicContact CD2-CD1 3.69Å; L158-L160 HydrophobicContact CD2-CD2 4.02Å; L158-L160 HydrophobicContact CD2-CG 3.8Å; L158-L160 HydrophobicContact CG-CD1 4.33Å; L158-L160 HydrophobicContact CG-CD2 3.95Å; L158-L160 HydrophobicContact CG-CG 3.87Å; L160-N162 PolarHBondContact O-N 3.45Å; L160-T163 WeakPolarHBondContact CA-OG1 3.47Å; L160-T163 HydrophobicContact CD2-CG2 4.4Å; L160-T163 WeakPolarHBondContact O-CB 3.5Å; L160-T163 PolarHBondContact O-N 2.92Å; L160-T163 PolarHBondContact O-OG1 3.34Å; L160-T163 VanDerWaalsContact O-OG1 3.06Å; L160-F165 HydrophobicContact CB-CZ 4.48Å; L160-F165 HydrophobicContact CD1-CE1 4.41Å; L160-F165 HydrophobicContact CD1-CZ 4.06Å; L160-L212 HydrophobicContact CD1-CD1 4.19Å; L160-L212 HydrophobicContact CD1-CD2 3.67Å; L160-L221 HydrophobicContact CD1-CD1 4.41Å; L160-D222 CarbonylContact C-O 3.36Å; L160-D222 WeakPolarHBondContact CA-O 2.9Å; L160-D222 PolarHBondContact N-O 3.18Å; L160-L223 HydrophobicContact CB-CD2 4.14Å; L160-L223 HydrophobicContact CD1-CD2 3.96Å; L160-C226 PolarHBondContact O-SG 2.66Å
161	R	85.8	Confident	89.4	Confident	78 Å²	78	48 Å²	48	29%	0.294	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	126.4	-176.5	-177.6	-176.6	-48.6	162	19	110.4	N136 N137 T163 D222 R224	N136-R161 CarbonylContact C-O 3.28Å; N136-R161 VanDerWaalsContact CA-O 3.23Å; N136-R161 WeakPolarHBondContact CA-O 3.47Å; N136-R161 HydrophobicContact CB-CB 4.05Å; N137-R161 PolarHBondContact N-O 3.22Å; R161-T163 PolarHBondContact O-N 2.86Å; R161-D222 IonicContact CZ-OD2 2.75Å; R161-D222 IonicContact NE-OD2 3.81Å; R161-D222 IonicContact NH2-OD2 2.76Å; R161-D222 PolarHBondContact NH2-OD2 3.36Å; R161-D222 VanDerWaalsContact NH2-OD2 3.15Å; R161-R224 CarbonylContact C-O 3.55Å; R161-R224 WeakPolarHBondContact CA-O 3.44Å; R161-R224 HydrophobicContact CG-CB 3.91Å; R161-R224 VanDerWaalsContact CG-O 3.27Å; R161-R224 WeakPolarHBondContact CG-O 3.29Å; R161-R224 VanDerWaalsContact NH2-CZ 3.25Å
162	N	83.2	Confident	88.3	Confident	48 Å²	48	44 Å²	44	26%	0.257	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	23.2	-177.7	-69.8	-49.1	0	0	0	113.3	N137 L160 K164 R224 G225	N137-N162 WeakPolarHBondContact CA-O 3.33Å; N137-N162 WeakPolarHBondContact OD1-CB 3.46Å; L160-N162 PolarHBondContact O-N 3.45Å; N162-K164 VanDerWaalsContact O-CD 3.23Å; N162-K164 WeakPolarHBondContact O-CD 3.28Å; N162-K164 WeakPolarHBondContact O-CE 3.42Å; N162-K164 PolarHBondContact O-NZ 3.14Å; N162-R224 PolarHBondContact N-O 3.08Å; N162-G225 VanDerWaalsContact OD1-CA 3.31Å; N162-G225 WeakPolarHBondContact OD1-CA 3.27Å; N162-G225 PolarHBondContact OD1-O 3.44Å
163	T	88.3	Confident	86.9	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	24%	0.238	C	C	.	.			trans	-71.9	142.7	178.2	-64.1	0	0	0	0	109.2	M135 C138 I140 L160 R161 F165	M135-T163 PolarHBondContact O-OG1 2.84Å; C138-T163 CarbonylContact O-C 3.46Å; C138-T163 WeakPolarHBondContact O-CA 3.26Å; C138-T163 WeakPolarHBondContact O-CG2 3.43Å; I140-T163 HydrophobicContact CG2-CG2 3.77Å; L160-T163 WeakPolarHBondContact CA-OG1 3.47Å; L160-T163 HydrophobicContact CD2-CG2 4.4Å; L160-T163 WeakPolarHBondContact O-CB 3.5Å; L160-T163 PolarHBondContact O-N 2.92Å; L160-T163 PolarHBondContact O-OG1 3.34Å; L160-T163 VanDerWaalsContact O-OG1 3.06Å; R161-T163 PolarHBondContact O-N 2.86Å; T163-F165 HydrophobicContact CG2-CE1 4.01Å; T163-F165 HydrophobicContact CG2-CE2 4.26Å; T163-F165 HydrophobicContact CG2-CZ 3.8Å; T163-F165 WeakPolarHBondContact O-CE2 3.34Å
164	K	87.7	Confident	85	Confident	15 Å²	15	55.2 Å²	55.2	7%	0.065	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.7	-179	-66.6	93.8	-177.9	163.6	0	110.2	C138 F139 I140 N162 Y183 F201 Q202	C138-K164 PolarHBondContact O-N 3.04Å; F139-K164 CarbonylContact C-O 3.48Å; F139-K164 WeakPolarHBondContact CA-O 3.49Å; F139-K164 HydrophobicContact CD1-CB 3.57Å; F139-K164 HydrophobicContact CD2-CB 4.15Å; F139-K164 HydrophobicContact CD2-CD 4.24Å; F139-K164 HydrophobicContact CE1-CB 3.34Å; F139-K164 HydrophobicContact CE1-CG 3.97Å; F139-K164 HydrophobicContact CE2-CB 3.94Å; F139-K164 HydrophobicContact CE2-CD 3.75Å; F139-K164 HydrophobicContact CE2-CG 3.95Å; F139-K164 HydrophobicContact CG-CB 3.94Å; F139-K164 HydrophobicContact CZ-CB 3.48Å; F139-K164 VanDerWaalsContact CZ-CB 3.48Å; F139-K164 HydrophobicContact CZ-CD 3.94Å; F139-K164 HydrophobicContact CZ-CG 3.59Å; I140-K164 PolarHBondContact N-O 3.48Å; N162-K164 VanDerWaalsContact O-CD 3.23Å; N162-K164 WeakPolarHBondContact O-CD 3.28Å; N162-K164 WeakPolarHBondContact O-CE 3.42Å; N162-K164 PolarHBondContact O-NZ 3.14Å; K164-Y183 HydrophobicContact CG-CE1 4.47Å; K164-F201 CarbonylContact C-O 3.34Å; K164-F201 VanDerWaalsContact CA-O 3.26Å; K164-F201 WeakPolarHBondContact CA-O 3.43Å; K164-F201 HydrophobicContact CB-CB 4.06Å; K164-F201 HydrophobicContact CG-CB 4.22Å; K164-Q202 HydrophobicContact CG-CG 4.28Å
165	F	88.5	Confident	83.1	Confident	18 Å²	18	62.3 Å²	62.3	8%	0.079	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	121	-175	-55.9	-85.2	0	0	0	110.7	I140 L145 L160 T163 F201 I204 V208	I140-F165 HydrophobicContact CG2-CD1 3.79Å; I140-F165 HydrophobicContact CG2-CE1 3.94Å; I140-F165 WeakPolarHBondContact O-CA 3.44Å; L145-F165 HydrophobicContact CD2-CD1 4.35Å; L145-F165 HydrophobicContact CD2-CE1 4.24Å; L160-F165 HydrophobicContact CB-CZ 4.48Å; L160-F165 HydrophobicContact CD1-CE1 4.41Å; L160-F165 HydrophobicContact CD1-CZ 4.06Å; T163-F165 HydrophobicContact CG2-CE1 4.01Å; T163-F165 HydrophobicContact CG2-CE2 4.26Å; T163-F165 HydrophobicContact CG2-CZ 3.8Å; T163-F165 WeakPolarHBondContact O-CE2 3.34Å; F165-F201 PolarHBondContact N-O 3.18Å; F165-F201 WeakPolarHBondContact O-CD1 3.45Å; F165-I204 HydrophobicContact CD2-CD1 4.01Å; F165-I204 HydrophobicContact CE1-CD1 4.47Å; F165-I204 HydrophobicContact CE2-CD1 3.2Å; F165-I204 HydrophobicContact CZ-CD1 3.47Å; F165-I204 VanDerWaalsContact CZ-CD1 3.47Å; F165-V208 HydrophobicContact CB-CG2 3.84Å; F165-V208 HydrophobicContact CD1-CB 4.43Å; F165-V208 HydrophobicContact CD1-CG1 3.73Å; F165-V208 HydrophobicContact CD1-CG2 3.73Å; F165-V208 HydrophobicContact CD2-CG2 4.44Å; F165-V208 HydrophobicContact CE1-CG1 3.61Å; F165-V208 HydrophobicContact CE1-CG2 4.46Å; F165-V208 HydrophobicContact CG-CG1 4.26Å; F165-V208 HydrophobicContact CG-CG2 3.72Å; F165-V208 HydrophobicContact CZ-CG1 4.07Å
166	T	86.8	Confident	80.8	Confident	13 Å²	13	73.9 Å²	73.9	8%	0.08	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	154	175.5	61.4	0	0	0	0	111.4	F139 I140 S141 S142 R168 I170 A180 F201	F139-T166 HydrophobicContact CD1-CG2 3.7Å; F139-T166 HydrophobicContact CE1-CG2 4.13Å; I140-T166 PolarHBondContact O-N 3.48Å; S141-T166 CarbonylContact C-O 3.43Å; S141-T166 VanDerWaalsContact CA-O 3.26Å; S141-T166 WeakPolarHBondContact CA-O 3.31Å; S141-T166 WeakPolarHBondContact CA-OG1 3.21Å; S142-T166 PolarHBondContact N-O 3.28Å; T166-R168 WeakPolarHBondContact CB-O 3.27Å; T166-R168 PolarHBondContact OG1-O 3.32Å; T166-I170 HydrophobicContact CG2-CD1 4.26Å; T166-I170 HydrophobicContact CG2-CG1 4.34Å; T166-A180 HydrophobicContact CG2-CB 4.29Å; T166-F201 HydrophobicContact CG2-CD1 4.17Å; T166-F201 HydrophobicContact CG2-CE1 4.04Å
167	Y	82.9	Confident	78.8	Confident	144 Å²	144	80 Å²	80	57%	0.565	35%	0.347	S	S	*	.	S	Bend	trans	-70.2	-47.6	175.5	179.7	-119	0	0	0	112	S142 R207	S142-Y167 PolarHBondContact OG-O 3.4Å; Y167-R207 VanDerWaalsContact CD2-NH1 3.3Å
168	R	81.8	Confident	77.1	Confident	189 Å²	189	78.7 Å²	78.7	71%	0.713	35%	0.346	S	S	*	.	S	Bend	trans	-112.3	162.4	179.7	-65.3	-180	-178.8	179.3	0.7	111.1	T166	T166-R168 WeakPolarHBondContact CB-O 3.27Å; T166-R168 PolarHBondContact OG1-O 3.32Å
169	D	81	Confident	75.7	Confident	59 Å²	59	88 Å²	88	32%	0.316	38%	0.38	S	S	.	.			trans	-58.3	138.8	168.7	-82.5	8.1	0	0	0	109.9	S118 S141 D171	S118-D169 PolarHBondContact OG-OD2 3.12Å; S141-D169 WeakPolarHBondContact CB-OD1 3.37Å; S141-D169 PolarHBondContact OG-OD1 3.12Å; D169-D171 PolarHBondContact O-N 3.08Å
170	I	78.7	Confident	74.2	Confident	5 Å²	5	87.7 Å²	87.7	3%	0.026	38%	0.379	C	S	.	.			trans	-75.8	110.7	172.6	-56.9	177.1	0	0	0	107.2	V115 F139 T166 F172 A180 V181 L184	V115-I170 HydrophobicContact CG1-CB 4.09Å; V115-I170 HydrophobicContact CG1-CD1 3.94Å; V115-I170 HydrophobicContact CG1-CG1 4.27Å; V115-I170 HydrophobicContact CG2-CD1 4Å; F139-I170 HydrophobicContact CB-CD1 3.93Å; F139-I170 HydrophobicContact CD1-CD1 3.7Å; F139-I170 HydrophobicContact CE1-CD1 4.48Å; F139-I170 HydrophobicContact CG-CD1 3.87Å; T166-I170 HydrophobicContact CG2-CD1 4.26Å; T166-I170 HydrophobicContact CG2-CG1 4.34Å; I170-F172 HydrophobicContact CG2-CE1 4.3Å; I170-F172 HydrophobicContact CG2-CE2 4.22Å; I170-F172 HydrophobicContact CG2-CZ 4.02Å; I170-A180 HydrophobicContact CD1-CB 3.68Å; I170-A180 HydrophobicContact CG1-CB 3.98Å; I170-V181 HydrophobicContact CG2-CG2 3.57Å; I170-L184 HydrophobicContact CD1-CD1 3.97Å; I170-L184 HydrophobicContact CG2-CD1 4.28Å
171	D	73.3	Confident	73.1	Confident	70 Å²	70	88.3 Å²	88.3	37%	0.374	38%	0.383	S	S	.	.			trans	-94	119.4	171.6	-169.2	-1.7	0	0	0	110.4	D169 K173	D169-D171 PolarHBondContact O-N 3.08Å; D171-K173 VanDerWaalsContact C-N 3.28Å; D171-K173 PolarHBondContact O-N 2.88Å; D171-K173 WeakPolarHBondContact OD1-CB 3.19Å; D171-K173 PolarHBondContact OD1-N 2.87Å
172	F	72.9	Confident	72.1	Confident	24 Å²	24	86.1 Å²	86.1	11%	0.105	38%	0.381	C	S	.	.	S	Bend	trans	-81.6	-1.6	177.3	-65.9	-81.5	0	0	0	113.5	A86 I87 V115 I170 R175 V181 L184	A86-F172 HydrophobicContact CB-CE1 3.84Å; A86-F172 HydrophobicContact CB-CE2 4.41Å; A86-F172 HydrophobicContact CB-CZ 3.58Å; I87-F172 HydrophobicContact CB-CD2 4.28Å; I87-F172 HydrophobicContact CB-CE2 4.48Å; I87-F172 HydrophobicContact CD1-CB 4.25Å; I87-F172 HydrophobicContact CD1-CD2 4.08Å; I87-F172 HydrophobicContact CD1-CG 4.43Å; V115-F172 HydrophobicContact CB-CE2 4.48Å; V115-F172 HydrophobicContact CB-CZ 4.48Å; V115-F172 HydrophobicContact CG2-CE2 4.28Å; V115-F172 HydrophobicContact CG2-CZ 3.81Å; I170-F172 HydrophobicContact CG2-CE1 4.3Å; I170-F172 HydrophobicContact CG2-CE2 4.22Å; I170-F172 HydrophobicContact CG2-CZ 4.02Å; F172-R175 WeakPolarHBondContact O-CG 3.27Å; F172-R175 PolarHBondContact O-NE 2.92Å; F172-V181 HydrophobicContact CD1-CG2 4.49Å; F172-L184 HydrophobicContact CE1-CD1 3.94Å; F172-L184 HydrophobicContact CZ-CD1 3.85Å
173	K	68.8	Low	71.3	Confident	175 Å²	175	84.8 Å²	84.8	76%	0.761	37%	0.373	S	S	*	.	S	Bend	trans	-75.8	-39	176.9	-69.6	-176.7	175.9	-175.9	0	112.7	D171 R175	D171-K173 VanDerWaalsContact C-N 3.28Å; D171-K173 PolarHBondContact O-N 2.88Å; D171-K173 WeakPolarHBondContact OD1-CB 3.19Å; D171-K173 PolarHBondContact OD1-N 2.87Å; K173-R175 PolarHBondContact O-N 2.84Å
174	N	55.9	Low	70.3	Confident	131 Å²	131	84.9 Å²	84.9	70%	0.701	37%	0.373	S	S	*	.	S	Bend	trans	-97.8	62.3	-177.7	-67.1	-10.1	0	0	0	112	R176	N174-R176 PolarHBondContact O-N 2.78Å
175	R	54.4	Low	69.1	Low	196 Å²	196	87.6 Å²	87.6	74%	0.74	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-15.4	-153.6	-71.1	-175.4	-177.6	-171.9	3.7	120.2	F172 K173	F172-R175 WeakPolarHBondContact O-CG 3.27Å; F172-R175 PolarHBondContact O-NE 2.92Å; K173-R175 PolarHBondContact O-N 2.84Å
176	R	49.9	Very low	67.9	Low	243 Å²	243	91.2 Å²	91.2	92%	0.917	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	-23.3	-163.7	-72.5	-172.7	175.8	-177	-1	117	N174	N174-R176 PolarHBondContact O-N 2.78Å
177	E	53.5	Low	66.6	Low	187 Å²	187	93.6 Å²	93.6	87%	0.874	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	-14.1	-168.8	-65.7	177.8	-173.6	0	0	114.9	R179	E177-R179 PolarHBondContact O-N 3.45Å; E177-R179 VanDerWaalsContact O-N 3.15Å
178	S	62	Low	65.1	Low	43 Å²	43	89.3 Å²	89.3	30%	0.301	41%	0.413	S	S	.	.			trans	-72.9	112.7	179.7	177.2	0	0	0	0	110.3	A180 V181 A182	S178-A180 PolarHBondContact O-N 3.33Å; S178-V181 WeakPolarHBondContact O-CA 3.43Å; S178-V181 WeakPolarHBondContact O-CB 3.35Å; S178-V181 PolarHBondContact O-N 3.07Å; S178-A182 PolarHBondContact O-N 3.29Å
179	R	65.7	Low	63.7	Low	198 Å²	198	84.2 Å²	84.2	75%	0.747	40%	0.403	S	S	*	.	H	α-helix	trans	-48.9	-33.5	172.6	-75.5	-173.5	177.2	-178.5	-1.1	112.7	E177 Y183 F201	E177-R179 PolarHBondContact O-N 3.45Å; E177-R179 VanDerWaalsContact O-N 3.15Å; R179-Y183 VanDerWaalsContact O-CB 3.31Å; R179-Y183 WeakPolarHBondContact O-CB 3.34Å; R179-Y183 PolarHBondContact O-N 3.06Å; R179-F201 HydrophobicContact CB-CZ 4.43Å
180	A	64.9	Low	62.2	Low	5 Å²	5	85 Å²	85	4%	0.041	42%	0.418	C	S	.	.	H	α-helix	trans	-71.3	-36.7	176.7	0	0	0	0	0	112.6	F139 T166 I170 S178 L184 F201	F139-A180 HydrophobicContact CE1-CB 4.49Å; T166-A180 HydrophobicContact CG2-CB 4.29Å; I170-A180 HydrophobicContact CD1-CB 3.68Å; I170-A180 HydrophobicContact CG1-CB 3.98Å; S178-A180 PolarHBondContact O-N 3.33Å; A180-L184 WeakPolarHBondContact O-CB 3.35Å; A180-L184 WeakPolarHBondContact O-CG 3.38Å; A180-L184 PolarHBondContact O-N 2.8Å; A180-F201 HydrophobicContact CB-CZ 4.22Å
181	V	68.4	Low	60.7	Low	14 Å²	14	89.8 Å²	89.8	9%	0.085	44%	0.443	C	S	.	.	H	α-helix	trans	-69.1	-42	173.6	177.4	0	0	0	0	110.7	I170 F172 S178 L184 T185	I170-V181 HydrophobicContact CG2-CG2 3.57Å; F172-V181 HydrophobicContact CD1-CG2 4.49Å; S178-V181 WeakPolarHBondContact O-CA 3.43Å; S178-V181 WeakPolarHBondContact O-CB 3.35Å; S178-V181 PolarHBondContact O-N 3.07Å; V181-L184 PolarHBondContact O-N 2.89Å; V181-T185 PolarHBondContact O-N 3.25Å; V181-T185 PolarHBondContact O-OG1 2.8Å
182	A	66	Low	59.4	Low	31 Å²	31	93.6 Å²	93.6	26%	0.256	46%	0.463	S	S	.	.	H	α-helix	trans	-56.2	-53.2	172.3	0	0	0	0	0	110.1	S178 L184 T185 F186	S178-A182 PolarHBondContact O-N 3.29Å; A182-L184 PolarHBondContact O-N 3.14Å; A182-T185 WeakPolarHBondContact O-CA 3.45Å; A182-T185 WeakPolarHBondContact O-CB 3.48Å; A182-T185 PolarHBondContact O-N 2.91Å; A182-F186 VanDerWaalsContact C-CD2 3.48Å; A182-F186 HydrophobicContact CB-CD2 4.27Å; A182-F186 HydrophobicContact CB-CE2 4.11Å; A182-F186 WeakPolarHBondContact O-CD2 3.43Å; A182-F186 PolarHBondContact O-N 3.39Å
183	Y	65.9	Low	58.2	Low	21 Å²	21	99.5 Å²	99.5	8%	0.082	50%	0.496	C	S	.	.	H	α-helix	trans	-58.9	-42.2	177	-178.7	-109.6	0	0	0	113.8	F139 K164 R179 T185 F186 I187 Y198	F139-Y183 HydrophobicContact CE1-CD1 4.32Å; F139-Y183 AromaticContact CE2-CD1 3.89Å; F139-Y183 HydrophobicContact CE2-CD1 3.89Å; F139-Y183 AromaticContact CE2-CE1 3.9Å; F139-Y183 HydrophobicContact CE2-CE1 3.9Å; F139-Y183 AromaticContact CZ-CD1 3.31Å; F139-Y183 HydrophobicContact CZ-CD1 3.31Å; F139-Y183 AromaticContact CZ-CE1 3.43Å; F139-Y183 HydrophobicContact CZ-CE1 3.43Å; F139-Y183 VanDerWaalsContact CZ-CE1 3.43Å; K164-Y183 HydrophobicContact CG-CE1 4.47Å; R179-Y183 VanDerWaalsContact O-CB 3.31Å; R179-Y183 WeakPolarHBondContact O-CB 3.34Å; R179-Y183 PolarHBondContact O-N 3.06Å; Y183-T185 VanDerWaalsContact C-N 3.25Å; Y183-T185 PolarHBondContact O-N 2.73Å; Y183-F186 PolarHBondContact O-N 3.31Å; Y183-I187 HydrophobicContact CD1-CD1 3.51Å; Y183-I187 HydrophobicContact CD1-CG1 4.23Å; Y183-I187 HydrophobicContact CD2-CD1 4.3Å; Y183-I187 HydrophobicContact CD2-CG1 4.19Å; Y183-I187 HydrophobicContact CE1-CD1 3.01Å; Y183-I187 HydrophobicContact CE1-CG1 3.9Å; Y183-I187 HydrophobicContact CE2-CD1 3.88Å; Y183-I187 HydrophobicContact CE2-CG1 3.82Å; Y183-I187 HydrophobicContact CG-CD1 4.18Å; Y183-I187 HydrophobicContact CG-CG1 4.43Å; Y183-I187 WeakPolarHBondContact O-CG1 2.95Å; Y183-I187 PolarHBondContact O-N 2.92Å; Y183-Y198 AromaticContact CD2-CD1 3.76Å; Y183-Y198 HydrophobicContact CD2-CD1 3.76Å; Y183-Y198 AromaticContact CD2-CD2 3.14Å; Y183-Y198 HydrophobicContact CD2-CD2 3.14Å; Y183-Y198 HydrophobicContact CD2-CE1 4.15Å; Y183-Y198 AromaticContact CD2-CE2 3.59Å; Y183-Y198 HydrophobicContact CD2-CE2 3.59Å; Y183-Y198 AromaticContact CD2-CG 3.19Å; Y183-Y198 HydrophobicContact CD2-CG 3.19Å; Y183-Y198 VanDerWaalsContact CE2-CB 3.4Å; Y183-Y198 HydrophobicContact CE2-CD1 4.47Å; Y183-Y198 AromaticContact CE2-CD2 3.54Å; Y183-Y198 HydrophobicContact CE2-CD2 3.54Å; Y183-Y198 HydrophobicContact CE2-CE2 4.37Å; Y183-Y198 AromaticContact CE2-CG 3.56Å; Y183-Y198 HydrophobicContact CE2-CG 3.56Å; Y183-Y198 AromaticContact CG-CD1 3.96Å; Y183-Y198 HydrophobicContact CG-CD1 3.96Å; Y183-Y198 HydrophobicContact CG-CD2 4.13Å; Y183-Y198 HydrophobicContact CG-CE1 4.26Å; Y183-Y198 HydrophobicContact CG-CE2 4.41Å; Y183-Y198 AromaticContact CG-CG 3.85Å; Y183-Y198 HydrophobicContact CG-CG 3.85Å
184	L	67.6	Low	57.2	Low	1 Å²	1	97.1 Å²	97.1	1%	0.005	48%	0.483	C	S	.	.	H	α-helix	trans	-59.1	-38.9	174.7	-78.2	168.5	0	0	0	112.1	F85 R114 V115 F139 I170 F172 A180 V181 A182 A188	F85-L184 WeakPolarHBondContact CE2-O 3.43Å; F85-L184 HydrophobicContact CZ-CB 4.44Å; R114-L184 HydrophobicContact CB-CD2 3.89Å; R114-L184 PolarHBondContact NH1-O 3.27Å; V115-L184 HydrophobicContact CG2-CD1 3.58Å; V115-L184 HydrophobicContact CG2-CD2 4.14Å; F139-L184 HydrophobicContact CD2-CD2 3.69Å; F139-L184 HydrophobicContact CD2-CG 4.38Å; F139-L184 HydrophobicContact CE2-CD2 3.71Å; F139-L184 HydrophobicContact CE2-CG 4.25Å; I170-L184 HydrophobicContact CD1-CD1 3.97Å; I170-L184 HydrophobicContact CG2-CD1 4.28Å; F172-L184 HydrophobicContact CE1-CD1 3.94Å; F172-L184 HydrophobicContact CZ-CD1 3.85Å; A180-L184 WeakPolarHBondContact O-CB 3.35Å; A180-L184 WeakPolarHBondContact O-CG 3.38Å; A180-L184 PolarHBondContact O-N 2.8Å; V181-L184 PolarHBondContact O-N 2.89Å; A182-L184 PolarHBondContact O-N 3.14Å; L184-A188 PolarHBondContact O-N 2.68Å
185	T	62.2	Low	57	Low	72 Å²	72	94.5 Å²	94.5	44%	0.442	48%	0.475	S	S	.	.	H	α-helix	trans	-68	-43.8	175.3	-49.6	0	0	0	0	110.6	V181 A182 Y183 A188 T189	V181-T185 PolarHBondContact O-N 3.25Å; V181-T185 PolarHBondContact O-OG1 2.8Å; A182-T185 WeakPolarHBondContact O-CA 3.45Å; A182-T185 WeakPolarHBondContact O-CB 3.48Å; A182-T185 PolarHBondContact O-N 2.91Å; Y183-T185 VanDerWaalsContact C-N 3.25Å; Y183-T185 PolarHBondContact O-N 2.73Å; T185-A188 WeakPolarHBondContact O-CB 3.34Å; T185-A188 PolarHBondContact O-N 2.83Å; T185-T189 PolarHBondContact O-N 2.89Å
186	F	64.3	Low	57.1	Low	95 Å²	95	89.9 Å²	89.9	42%	0.417	47%	0.469	S	S	.	.	H	α-helix	trans	-69.8	-38.3	-178.8	-75	-65.1	0	0	0	114.3	A182 Y183 A188 T189 A190	A182-F186 VanDerWaalsContact C-CD2 3.48Å; A182-F186 HydrophobicContact CB-CD2 4.27Å; A182-F186 HydrophobicContact CB-CE2 4.11Å; A182-F186 WeakPolarHBondContact O-CD2 3.43Å; A182-F186 PolarHBondContact O-N 3.39Å; Y183-F186 PolarHBondContact O-N 3.31Å; F186-A188 VanDerWaalsContact C-N 3.29Å; F186-A188 PolarHBondContact O-N 2.85Å; F186-T189 WeakPolarHBondContact CA-OG1 3.31Å; F186-T189 PolarHBondContact O-N 2.65Å; F186-T189 VanDerWaalsContact O-N 3.13Å; F186-T189 PolarHBondContact O-OG1 2.86Å; F186-A190 PolarHBondContact O-N 3.1Å
187	I	58.5	Low	57.2	Low	63 Å²	63	81.9 Å²	81.9	32%	0.323	45%	0.45	S	S	.	.	H	α-helix	trans	-64.6	-36.5	171.7	-63.7	164.4	0	0	0	110.6	Y183 T189 A190	Y183-I187 HydrophobicContact CD1-CD1 3.51Å; Y183-I187 HydrophobicContact CD1-CG1 4.23Å; Y183-I187 HydrophobicContact CD2-CD1 4.3Å; Y183-I187 HydrophobicContact CD2-CG1 4.19Å; Y183-I187 HydrophobicContact CE1-CD1 3.01Å; Y183-I187 HydrophobicContact CE1-CG1 3.9Å; Y183-I187 HydrophobicContact CE2-CD1 3.88Å; Y183-I187 HydrophobicContact CE2-CG1 3.82Å; Y183-I187 HydrophobicContact CG-CD1 4.18Å; Y183-I187 HydrophobicContact CG-CG1 4.43Å; Y183-I187 WeakPolarHBondContact O-CG1 2.95Å; Y183-I187 PolarHBondContact O-N 2.92Å; I187-T189 PolarHBondContact O-N 3.48Å; I187-A190 PolarHBondContact O-N 2.96Å; I187-A190 VanDerWaalsContact O-N 3.16Å
188	A	52.2	Low	57.5	Low	53 Å²	53	74.5 Å²	74.5	44%	0.438	41%	0.414	S	S	.	.	H	α-helix	trans	-63.4	-23.6	176	0	0	0	0	0	112.6	F85 L184 T185 F186	F85-A188 HydrophobicContact CD2-CB 4.08Å; F85-A188 HydrophobicContact CE2-CB 3.75Å; L184-A188 PolarHBondContact O-N 2.68Å; T185-A188 WeakPolarHBondContact O-CB 3.34Å; T185-A188 PolarHBondContact O-N 2.83Å; F186-A188 VanDerWaalsContact C-N 3.29Å; F186-A188 PolarHBondContact O-N 2.85Å
189	T	50.9	Low	57.7	Low	82 Å²	82	75 Å²	75	50%	0.503	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	6.2	176.2	54.9	0	0	0	0	114.4	T185 F186 I187 L191	T185-T189 PolarHBondContact O-N 2.89Å; F186-T189 WeakPolarHBondContact CA-OG1 3.31Å; F186-T189 PolarHBondContact O-N 2.65Å; F186-T189 VanDerWaalsContact O-N 3.13Å; F186-T189 PolarHBondContact O-OG1 2.86Å; I187-T189 PolarHBondContact O-N 3.48Å; T189-L191 PolarHBondContact O-N 3.4Å
190	A	50.7	Low	57.8	Low	77 Å²	77	69 Å²	69	64%	0.636	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	42.2	172.3	0	0	0	0	0	115.6	F186 I187	F186-A190 PolarHBondContact O-N 3.1Å; I187-A190 PolarHBondContact O-N 2.96Å; I187-A190 VanDerWaalsContact O-N 3.16Å
191	L	46.3	Very low	58.2	Low	104 Å²	104	70.4 Å²	70.4	55%	0.545	41%	0.411	S	S	.	.			trans	-91.7	99.1	170.6	-70.3	164.7	0	0	0	108.9	T189 D193	T189-L191 PolarHBondContact O-N 3.4Å; L191-D193 PolarHBondContact O-N 3.31Å
192	D	46.4	Very low	58.5	Low	150 Å²	150	71.4 Å²	71.4	80%	0.802	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-62	-23.6	-175.3	-77.1	-32.3	0	0	0	114.3	Y194	D192-Y194 PolarHBondContact O-N 2.77Å; D192-Y194 VanDerWaalsContact O-N 3.1Å
193	D	47.6	Very low	59.1	Low	149 Å²	149	73 Å²	73	80%	0.797	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-67.5	-12	-173.1	-87.2	-22.6	0	0	0	115.6	L191	L191-D193 PolarHBondContact O-N 3.31Å
194	Y	47.4	Very low	59.9	Low	124 Å²	124	72 Å²	72	49%	0.486	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-100.8	3.7	-172	-84.1	-83.7	0	0	0	115.7	D192 T196 S197	D192-Y194 PolarHBondContact O-N 2.77Å; D192-Y194 VanDerWaalsContact O-N 3.1Å; Y194-T196 PolarHBondContact O-N 3.32Å; Y194-T196 VanDerWaalsContact O-N 3.13Å; Y194-S197 PolarHBondContact O-N 2.9Å
195	S	52.4	Low	60.7	Low	76 Å²	76	73.9 Å²	73.9	53%	0.531	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-34.7	178.9	63.1	0	0	0	0	113	S199	S195-S199 PolarHBondContact O-N 3.46Å
196	T	55.7	Low	61.7	Low	100 Å²	100	74.9 Å²	74.9	61%	0.613	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-65.8	-41.9	-179.7	56.1	0	0	0	0	113.3	Y194 Y198 S199	Y194-T196 PolarHBondContact O-N 3.32Å; Y194-T196 VanDerWaalsContact O-N 3.13Å; T196-Y198 PolarHBondContact O-N 2.92Å; T196-S199 WeakPolarHBondContact O-CB 3.35Å; T196-S199 PolarHBondContact O-N 3.36Å; T196-S199 PolarHBondContact O-OG 3.35Å
197	S	53.2	Low	62.7	Low	74 Å²	74	77.9 Å²	77.9	52%	0.517	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-68.7	-16.3	-174.8	-67.4	0	0	0	0	114	Y194	Y194-S197 PolarHBondContact O-N 2.9Å
198	Y	60.1	Low	64.2	Low	33 Å²	33	75.2 Å²	75.2	13%	0.129	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-123.8	8.9	-175.8	-63.6	-77.6	0	0	0	113.3	Y183 T196 S200 F201	Y183-Y198 AromaticContact CD2-CD1 3.76Å; Y183-Y198 HydrophobicContact CD2-CD1 3.76Å; Y183-Y198 AromaticContact CD2-CD2 3.14Å; Y183-Y198 HydrophobicContact CD2-CD2 3.14Å; Y183-Y198 HydrophobicContact CD2-CE1 4.15Å; Y183-Y198 AromaticContact CD2-CE2 3.59Å; Y183-Y198 HydrophobicContact CD2-CE2 3.59Å; Y183-Y198 AromaticContact CD2-CG 3.19Å; Y183-Y198 HydrophobicContact CD2-CG 3.19Å; Y183-Y198 VanDerWaalsContact CE2-CB 3.4Å; Y183-Y198 HydrophobicContact CE2-CD1 4.47Å; Y183-Y198 AromaticContact CE2-CD2 3.54Å; Y183-Y198 HydrophobicContact CE2-CD2 3.54Å; Y183-Y198 HydrophobicContact CE2-CE2 4.37Å; Y183-Y198 AromaticContact CE2-CG 3.56Å; Y183-Y198 HydrophobicContact CE2-CG 3.56Å; Y183-Y198 AromaticContact CG-CD1 3.96Å; Y183-Y198 HydrophobicContact CG-CD1 3.96Å; Y183-Y198 HydrophobicContact CG-CD2 4.13Å; Y183-Y198 HydrophobicContact CG-CE1 4.26Å; Y183-Y198 HydrophobicContact CG-CE2 4.41Å; Y183-Y198 AromaticContact CG-CG 3.85Å; Y183-Y198 HydrophobicContact CG-CG 3.85Å; T196-Y198 PolarHBondContact O-N 2.92Å; Y198-S200 PolarHBondContact O-N 3.29Å; Y198-S200 VanDerWaalsContact O-N 3.11Å; Y198-F201 AromaticContact CD1-CD2 3.94Å; Y198-F201 HydrophobicContact CD1-CD2 3.94Å; Y198-F201 AromaticContact CD1-CE2 3.68Å; Y198-F201 HydrophobicContact CD1-CE2 3.68Å; Y198-F201 HydrophobicContact CE1-CE2 4.35Å; Y198-F201 WeakPolarHBondContact O-CB 3.27Å; Y198-F201 PolarHBondContact O-N 3.09Å
199	S	64.5	Low	65.9	Low	53 Å²	53	72.7 Å²	72.7	37%	0.371	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-51.3	-31.3	173.7	54.7	0	0	0	0	113	S195 T196 F201 Q202 E203	S195-S199 PolarHBondContact O-N 3.46Å; T196-S199 WeakPolarHBondContact O-CB 3.35Å; T196-S199 PolarHBondContact O-N 3.36Å; T196-S199 PolarHBondContact O-OG 3.35Å; S199-F201 PolarHBondContact O-N 3.18Å; S199-F201 VanDerWaalsContact O-N 3.14Å; S199-Q202 WeakPolarHBondContact O-CB 3.43Å; S199-Q202 PolarHBondContact O-N 2.77Å; S199-E203 PolarHBondContact O-N 3.49Å
200	S	69	Low	67.8	Low	73 Å²	73	69.8 Å²	69.8	51%	0.51	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-59	-24.7	174.9	67.2	0	0	0	0	114	Y198	Y198-S200 PolarHBondContact O-N 3.29Å; Y198-S200 VanDerWaalsContact O-N 3.11Å
201	F	73.8	Confident	69.8	Low	33 Å²	33	68.9 Å²	68.9	15%	0.145	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-77.6	-23.9	174.2	-71	-52.6	0	0	0	112.5	F139 K164 F165 T166 R179 A180 Y198 S199 E203	F139-F201 HydrophobicContact CE1-CD2 4.47Å; F139-F201 HydrophobicContact CE1-CG 4.4Å; K164-F201 CarbonylContact C-O 3.34Å; K164-F201 VanDerWaalsContact CA-O 3.26Å; K164-F201 WeakPolarHBondContact CA-O 3.43Å; K164-F201 HydrophobicContact CB-CB 4.06Å; K164-F201 HydrophobicContact CG-CB 4.22Å; F165-F201 PolarHBondContact N-O 3.18Å; F165-F201 WeakPolarHBondContact O-CD1 3.45Å; T166-F201 HydrophobicContact CG2-CD1 4.17Å; T166-F201 HydrophobicContact CG2-CE1 4.04Å; R179-F201 HydrophobicContact CB-CZ 4.43Å; A180-F201 HydrophobicContact CB-CZ 4.22Å; Y198-F201 AromaticContact CD1-CD2 3.94Å; Y198-F201 HydrophobicContact CD1-CD2 3.94Å; Y198-F201 AromaticContact CD1-CE2 3.68Å; Y198-F201 HydrophobicContact CD1-CE2 3.68Å; Y198-F201 HydrophobicContact CE1-CE2 4.35Å; Y198-F201 WeakPolarHBondContact O-CB 3.27Å; Y198-F201 PolarHBondContact O-N 3.09Å; S199-F201 PolarHBondContact O-N 3.18Å; S199-F201 VanDerWaalsContact O-N 3.14Å; F201-E203 VanDerWaalsContact C-N 3.29Å
202	Q	73.9	Confident	72	Confident	35 Å²	35	63.9 Å²	63.9	16%	0.164	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-6.8	174.8	-70.8	171.4	-41.8	0	0	112.2	K164 S199 I204 G225 C226 V227	K164-Q202 HydrophobicContact CG-CG 4.28Å; S199-Q202 WeakPolarHBondContact O-CB 3.43Å; S199-Q202 PolarHBondContact O-N 2.77Å; Q202-I204 PolarHBondContact O-N 3.27Å; Q202-G225 PolarHBondContact NE2-O 2.93Å; Q202-C226 WeakPolarHBondContact O-CA 3.46Å; Q202-C226 WeakPolarHBondContact O-CB 3.42Å; Q202-V227 PolarHBondContact O-N 3.42Å
203	E	78.7	Confident	74.1	Confident	65 Å²	65	57.3 Å²	57.3	30%	0.304	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-72.4	123.4	-179.9	-164.2	-168.3	134	0	0	112.1	S199 F201 S205 V227	S199-E203 PolarHBondContact O-N 3.49Å; F201-E203 VanDerWaalsContact C-N 3.29Å; E203-S205 VanDerWaalsContact C-N 3.28Å; E203-S205 PolarHBondContact O-N 3.09Å; E203-V227 CarbonylContact C-O 3.57Å; E203-V227 WeakPolarHBondContact CA-O 3.45Å; E203-V227 HydrophobicContact CB-CB 4.38Å; E203-V227 HydrophobicContact CG-CB 4.5Å; E203-V227 HydrophobicContact CG-CG1 4.22Å
204	I	82.7	Confident	76.3	Confident	0 Å²	0	53 Å²	53	0%	0	29%	0.292	C	S	.	.			trans	-78	81.9	171	-53.4	-62.5	0	0	0	108.5	F165 Q202 V208 V209 L212 L223 C226 V227 V228 I232	F165-I204 HydrophobicContact CD2-CD1 4.01Å; F165-I204 HydrophobicContact CE1-CD1 4.47Å; F165-I204 HydrophobicContact CE2-CD1 3.2Å; F165-I204 HydrophobicContact CZ-CD1 3.47Å; F165-I204 VanDerWaalsContact CZ-CD1 3.47Å; Q202-I204 PolarHBondContact O-N 3.27Å; I204-V208 HydrophobicContact CD1-CG1 4.16Å; I204-V208 HydrophobicContact CG2-CB 4.18Å; I204-V208 HydrophobicContact CG2-CG1 3.96Å; I204-V209 HydrophobicContact CG2-CG2 3.29Å; I204-L212 HydrophobicContact CG2-CD1 4.26Å; I204-L223 HydrophobicContact CD1-CD2 4.27Å; I204-C226 HydrophobicContact CD1-CB 4.08Å; I204-C226 HydrophobicContact CG1-CB 4.02Å; I204-V227 PolarHBondContact N-O 3.35Å; I204-V228 HydrophobicContact CB-CG2 4.49Å; I204-V228 HydrophobicContact CG1-CG2 3.9Å; I204-I232 HydrophobicContact CB-CG2 4.27Å; I204-I232 HydrophobicContact CG2-CG2 3.83Å; I204-I232 WeakPolarHBondContact O-CG1 3.37Å
205	S	83.5	Confident	78.5	Confident	40 Å²	40	47.1 Å²	47.1	28%	0.28	27%	0.269	S	S	.	.			trans	-65.3	164.5	175	64.1	0	0	0	0	113.2	E203 R207 V208 V209	E203-S205 VanDerWaalsContact C-N 3.28Å; E203-S205 PolarHBondContact O-N 3.09Å; S205-R207 PolarHBondContact O-N 3.25Å; S205-V208 WeakPolarHBondContact O-CB 3.43Å; S205-V208 PolarHBondContact O-N 3.03Å; S205-V209 PolarHBondContact O-N 3.42Å
206	D	83.4	Confident	80.3	Confident	93 Å²	93	48.3 Å²	48.3	50%	0.497	26%	0.264	S	S	.	.	H	α-helix	trans	-49.1	-33.9	172.1	-90.1	-37	0	0	0	113.5	G210 I232 R235	D206-G210 PolarHBondContact O-N 3.26Å; D206-I232 HydrophobicContact CB-CD1 4.27Å; D206-I232 WeakPolarHBondContact OD1-CD1 3.35Å; D206-R235 IonicContact OD1-CZ 2.66Å; D206-R235 IonicContact OD1-NH1 3.27Å; D206-R235 PolarHBondContact OD1-NH1 2.98Å
207	R	86.2	Confident	82.1	Confident	159 Å²	159	46.3 Å²	46.3	60%	0.6	25%	0.25	S	C	*	.	H	α-helix	trans	-68.7	-40.5	178.4	-68	-178.4	178.4	177.8	0.9	111.9	Y167 S205 K211	Y167-R207 VanDerWaalsContact CD2-NH1 3.3Å; S205-R207 PolarHBondContact O-N 3.25Å; R207-K211 WeakPolarHBondContact O-CG 3.44Å
208	V	90.4	Very high	83.9	Confident	6 Å²	6	42.8 Å²	42.8	4%	0.036	23%	0.225	C	C	.	.	H	α-helix	trans	-67.8	-47.4	178.4	176.1	0	0	0	0	109	L145 F165 I204 S205 G210 K211 L212	L145-V208 HydrophobicContact CD2-CG1 3.84Å; F165-V208 HydrophobicContact CB-CG2 3.84Å; F165-V208 HydrophobicContact CD1-CB 4.43Å; F165-V208 HydrophobicContact CD1-CG1 3.73Å; F165-V208 HydrophobicContact CD1-CG2 3.73Å; F165-V208 HydrophobicContact CD2-CG2 4.44Å; F165-V208 HydrophobicContact CE1-CG1 3.61Å; F165-V208 HydrophobicContact CE1-CG2 4.46Å; F165-V208 HydrophobicContact CG-CG1 4.26Å; F165-V208 HydrophobicContact CG-CG2 3.72Å; F165-V208 HydrophobicContact CZ-CG1 4.07Å; I204-V208 HydrophobicContact CD1-CG1 4.16Å; I204-V208 HydrophobicContact CG2-CB 4.18Å; I204-V208 HydrophobicContact CG2-CG1 3.96Å; S205-V208 WeakPolarHBondContact O-CB 3.43Å; S205-V208 PolarHBondContact O-N 3.03Å; V208-G210 PolarHBondContact O-N 3.47Å; V208-K211 CarbonylContact O-C 3.44Å; V208-K211 WeakPolarHBondContact O-CA 3.23Å; V208-K211 WeakPolarHBondContact O-CB 3.3Å; V208-K211 PolarHBondContact O-N 3.18Å; V208-L212 HydrophobicContact CG1-CD1 4.17Å; V208-L212 HydrophobicContact CG1-CG 4.16Å; V208-L212 WeakPolarHBondContact O-CG 3.44Å; V208-L212 PolarHBondContact O-N 3.1Å
209	V	87.2	Confident	85.3	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.7	-41.9	178.5	166.6	0	0	0	0	112.9	I204 S205 K211 L212 I213 I232 R235 I236	I204-V209 HydrophobicContact CG2-CG2 3.29Å; S205-V209 PolarHBondContact O-N 3.42Å; V209-K211 CarbonylContact O-C 3.56Å; V209-K211 PolarHBondContact O-N 3.22Å; V209-L212 PolarHBondContact O-N 3.14Å; V209-I213 HydrophobicContact CG1-CD1 4.36Å; V209-I213 HydrophobicContact CG1-CG2 3.88Å; V209-I213 WeakPolarHBondContact O-CD1 3.18Å; V209-I213 VanDerWaalsContact O-CG1 3.23Å; V209-I213 WeakPolarHBondContact O-CG1 3.49Å; V209-I213 WeakPolarHBondContact O-CG2 3.43Å; V209-I213 PolarHBondContact O-N 2.69Å; V209-I232 HydrophobicContact CB-CD1 4.15Å; V209-I232 HydrophobicContact CB-CG2 4.33Å; V209-I232 HydrophobicContact CG2-CB 4.24Å; V209-I232 HydrophobicContact CG2-CD1 4.02Å; V209-I232 HydrophobicContact CG2-CG2 3.19Å; V209-R235 HydrophobicContact CG1-CB 4.1Å; V209-I236 HydrophobicContact CG1-CG1 4.24Å; V209-I236 HydrophobicContact CG2-CD1 4.09Å; V209-I236 HydrophobicContact CG2-CG1 4.18Å
210	G	90.9	Very high	86.4	Confident	22 Å²	22	47.5 Å²	47.5	23%	0.227	24%	0.237	C	C	.	.	H	α-helix	trans	-51.1	-24.7	169.6	0	0	0	0	0	113.8	D206 V208 S214	D206-G210 PolarHBondContact O-N 3.26Å; V208-G210 PolarHBondContact O-N 3.47Å; G210-S214 PolarHBondContact O-OG 3.29Å
211	K	92.7	Very high	87.4	Confident	57 Å²	57	44 Å²	44	25%	0.248	21%	0.213	C	C	.	.	H	α-helix	trans	-91.9	-43	172.7	-51.9	-46.9	167.1	-154.7	0	112.2	L145 R146 T149 R207 V208 V209 I213 S214	L145-K211 HydrophobicContact CD2-CB 3.99Å; L145-K211 HydrophobicContact CG-CB 4Å; R146-K211 HydrophobicContact CB-CD 3.86Å; R146-K211 HydrophobicContact CB-CG 4.28Å; R146-K211 HydrophobicContact CG-CD 4.04Å; T149-K211 HydrophobicContact CG2-CB 4.08Å; T149-K211 WeakPolarHBondContact CG2-O 3.49Å; R207-K211 WeakPolarHBondContact O-CG 3.44Å; V208-K211 CarbonylContact O-C 3.44Å; V208-K211 WeakPolarHBondContact O-CA 3.23Å; V208-K211 WeakPolarHBondContact O-CB 3.3Å; V208-K211 PolarHBondContact O-N 3.18Å; V209-K211 CarbonylContact O-C 3.56Å; V209-K211 PolarHBondContact O-N 3.22Å; K211-I213 VanDerWaalsContact C-N 3.34Å; K211-I213 PolarHBondContact O-N 3.23Å; K211-S214 WeakPolarHBondContact O-CB 3.41Å; K211-S214 PolarHBondContact O-N 2.92Å; K211-S214 VanDerWaalsContact O-N 3.07Å; K211-S214 PolarHBondContact O-OG 3.21Å
212	L	91.6	Very high	88.1	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.6	-45.4	179.1	-60.9	-175	0	0	0	112.1	L145 L158 L160 I204 V208 V209 S214 W215	L145-L212 HydrophobicContact CD1-CD2 4.49Å; L145-L212 HydrophobicContact CD2-CD2 4.33Å; L158-L212 HydrophobicContact CD2-CD2 3.89Å; L160-L212 HydrophobicContact CD1-CD1 4.19Å; L160-L212 HydrophobicContact CD1-CD2 3.67Å; I204-L212 HydrophobicContact CG2-CD1 4.26Å; V208-L212 HydrophobicContact CG1-CD1 4.17Å; V208-L212 HydrophobicContact CG1-CG 4.16Å; V208-L212 WeakPolarHBondContact O-CG 3.44Å; V208-L212 PolarHBondContact O-N 3.1Å; V209-L212 PolarHBondContact O-N 3.14Å; L212-S214 PolarHBondContact O-N 3.42Å; L212-W215 HydrophobicContact CD2-CE3 4.15Å; L212-W215 HydrophobicContact CD2-CZ3 3.67Å; L212-W215 PolarHBondContact O-N 2.9Å
213	I	91.2	Very high	88.6	Confident	12 Å²	12	41.2 Å²	41.2	6%	0.062	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-10	179.9	69.9	-158.1	0	0	0	113.6	V209 K211 W215 K216 E239	V209-I213 HydrophobicContact CG1-CD1 4.36Å; V209-I213 HydrophobicContact CG1-CG2 3.88Å; V209-I213 WeakPolarHBondContact O-CD1 3.18Å; V209-I213 VanDerWaalsContact O-CG1 3.23Å; V209-I213 WeakPolarHBondContact O-CG1 3.49Å; V209-I213 WeakPolarHBondContact O-CG2 3.43Å; V209-I213 PolarHBondContact O-N 2.69Å; K211-I213 VanDerWaalsContact C-N 3.34Å; K211-I213 PolarHBondContact O-N 3.23Å; I213-W215 VanDerWaalsContact C-N 3.28Å; I213-K216 WeakPolarHBondContact O-CD 3.38Å; I213-K216 WeakPolarHBondContact O-CE 3.42Å; I213-K216 PolarHBondContact O-NZ 3.13Å; I213-E239 HydrophobicContact CB-CB 3.98Å; I213-E239 WeakPolarHBondContact CD1-OE2 3.39Å; I213-E239 HydrophobicContact CG2-CB 3.91Å
214	S	93.5	Very high	88.7	Confident	59 Å²	59	40.1 Å²	40.1	41%	0.413	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-19.6	171.6	-55.8	0	0	0	0	112.3	G210 K211 L212 K216	G210-S214 PolarHBondContact O-OG 3.29Å; K211-S214 WeakPolarHBondContact O-CB 3.41Å; K211-S214 PolarHBondContact O-N 2.92Å; K211-S214 VanDerWaalsContact O-N 3.07Å; K211-S214 PolarHBondContact O-OG 3.21Å; L212-S214 PolarHBondContact O-N 3.42Å; S214-K216 VanDerWaalsContact C-N 3.34Å; S214-K216 PolarHBondContact O-N 3.43Å; S214-K216 VanDerWaalsContact O-N 3.09Å
215	W	94.1	Very high	88.4	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.204	C	C	.	.			trans	-82.6	74.6	173.8	-76.7	-55.3	0	0	0	111.6	L145 L148 T149 L152 I155 L158 L212 I213 N217 L218 L240	L145-W215 HydrophobicContact CD1-CH2 3.66Å; L145-W215 HydrophobicContact CD1-CZ3 3.98Å; L148-W215 HydrophobicContact CB-CH2 4.46Å; L148-W215 HydrophobicContact CB-CZ2 4.01Å; T149-W215 HydrophobicContact CG2-CD2 3.67Å; T149-W215 VanDerWaalsContact CG2-CE2 3.5Å; T149-W215 HydrophobicContact CG2-CE3 3.7Å; T149-W215 HydrophobicContact CG2-CH2 3.47Å; T149-W215 VanDerWaalsContact CG2-CH2 3.47Å; T149-W215 HydrophobicContact CG2-CZ2 3.42Å; T149-W215 VanDerWaalsContact CG2-CZ2 3.42Å; T149-W215 HydrophobicContact CG2-CZ3 3.58Å; L152-W215 VanDerWaalsContact O-CD1 3.27Å; L152-W215 PolarHBondContact O-NE1 3.49Å; I155-W215 HydrophobicContact CB-CG 4.48Å; L158-W215 HydrophobicContact CD1-CH2 4.07Å; L158-W215 HydrophobicContact CD1-CZ3 4.17Å; L158-W215 HydrophobicContact CD2-CE3 3.7Å; L158-W215 HydrophobicContact CD2-CH2 3.98Å; L158-W215 HydrophobicContact CD2-CZ3 3.24Å; L158-W215 HydrophobicContact CG-CZ3 4.33Å; L212-W215 HydrophobicContact CD2-CE3 4.15Å; L212-W215 HydrophobicContact CD2-CZ3 3.67Å; L212-W215 PolarHBondContact O-N 2.9Å; I213-W215 VanDerWaalsContact C-N 3.28Å; W215-N217 PolarHBondContact O-N 2.98Å; W215-L218 HydrophobicContact CB-CB 4.2Å; W215-L218 VanDerWaalsContact O-CB 3.28Å; W215-L218 WeakPolarHBondContact O-CB 3.42Å; W215-L218 PolarHBondContact O-N 2.96Å; W215-L240 VanDerWaalsContact O-CD2 3.29Å; W215-L240 WeakPolarHBondContact O-CD2 3.45Å
216	K	90.7	Very high	88.2	Confident	100 Å²	100	39.3 Å²	39.3	44%	0.435	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-12	-177.6	-61.3	-61.8	179.8	-173.3	0	115.2	I213 S214 E239	I213-K216 WeakPolarHBondContact O-CD 3.38Å; I213-K216 WeakPolarHBondContact O-CE 3.42Å; I213-K216 PolarHBondContact O-NZ 3.13Å; S214-K216 VanDerWaalsContact C-N 3.34Å; S214-K216 PolarHBondContact O-N 3.43Å; S214-K216 VanDerWaalsContact O-N 3.09Å; K216-E239 PolarHBondContact NZ-O 3.15Å
217	N	92.8	Very high	88	Confident	58 Å²	58	36.4 Å²	36.4	31%	0.31	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	2.6	176.3	-66.1	-48.3	0	0	0	114	P153 I155 W215 R219 K242	P153-N217 PolarHBondContact O-ND2 3.48Å; I155-N217 CarbonylContact O-C 3.55Å; W215-N217 PolarHBondContact O-N 2.98Å; N217-R219 PolarHBondContact O-N 3.42Å; N217-K242 PolarHBondContact OD1-NZ 2.8Å
218	L	92.1	Very high	87.4	Confident	1 Å²	1	29 Å²	29	1%	0.005	15%	0.149	C	C	.	.			trans	-67.3	120.5	-176.5	-160.1	71.6	0	0	0	111	I155 L158 W215 L221 L240 K242 L243	I155-L218 HydrophobicContact CG2-CD1 3.97Å; L158-L218 HydrophobicContact CB-CD1 3.61Å; L158-L218 HydrophobicContact CB-CD2 4.41Å; W215-L218 HydrophobicContact CB-CB 4.2Å; W215-L218 VanDerWaalsContact O-CB 3.28Å; W215-L218 WeakPolarHBondContact O-CB 3.42Å; W215-L218 PolarHBondContact O-N 2.96Å; L218-L221 HydrophobicContact CD2-CB 3.84Å; L218-L221 HydrophobicContact CD2-CD1 3.95Å; L218-L221 HydrophobicContact CD2-CD2 4.29Å; L218-L221 HydrophobicContact CD2-CG 4.22Å; L218-L240 HydrophobicContact CB-CD1 4.5Å; L218-L240 HydrophobicContact CD2-CD1 3.97Å; L218-K242 CarbonylContact O-C 3.59Å; L218-K242 VanDerWaalsContact O-C 3.3Å; L218-L243 HydrophobicContact CD2-CD1 4.42Å; L218-L243 HydrophobicContact CG-CD1 4.4Å; L218-L243 WeakPolarHBondContact O-CA 3.37Å; L218-L243 PolarHBondContact O-N 2.72Å
219	R	88.3	Confident	86.5	Confident	110 Å²	110	33.3 Å²	33.3	42%	0.415	17%	0.169	S	C	.	.			trans	-103.9	-29.4	176.7	-61	179.2	73.1	-163.8	-1.6	112.1	E156 N217 K242 E244 V245	E156-R219 PolarHBondContact O-N 3.03Å; N217-R219 PolarHBondContact O-N 3.42Å; R219-K242 WeakPolarHBondContact CA-O 3.49Å; R219-K242 HydrophobicContact CG-CB 4.5Å; R219-E244 IonicContact CZ-OE1 2.98Å; R219-E244 IonicContact CZ-OE2 2.7Å; R219-E244 VanDerWaalsContact CZ-OE2 3.31Å; R219-E244 VanDerWaalsContact NE-CD 3.29Å; R219-E244 IonicContact NE-OE1 3.07Å; R219-E244 PolarHBondContact NE-OE1 2.75Å; R219-E244 IonicContact NE-OE2 3.64Å; R219-E244 PolarHBondContact NE-OE2 2.78Å; R219-E244 IonicContact NH2-OE1 2.95Å; R219-E244 PolarHBondContact NH2-OE1 2.76Å; R219-E244 IonicContact NH2-OE2 3.72Å; R219-E244 PolarHBondContact NH2-OE2 2.91Å; R219-E244 PolarHBondContact O-N 3.45Å; R219-V245 PolarHBondContact O-N 3.08Å
220	K	88.5	Confident	85.3	Confident	75 Å²	75	34.7 Å²	34.7	33%	0.326	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	129.3	178.3	-175.8	171.2	179.5	-179.9	0	111.6	E156 E157 L158 V245	E156-K220 PolarHBondContact O-N 2.9Å; E157-K220 WeakPolarHBondContact CA-O 3.41Å; E157-K220 HydrophobicContact CB-CB 4.29Å; E157-K220 HydrophobicContact CG-CB 3.95Å; E157-K220 HydrophobicContact CG-CD 4.49Å; L158-K220 PolarHBondContact N-O 3.34Å; K220-V245 CarbonylContact C-O 3.58Å; K220-V245 WeakPolarHBondContact CA-O 3.26Å; K220-V245 HydrophobicContact CB-CB 4.3Å; K220-V245 HydrophobicContact CD-CG1 4.45Å; K220-V245 HydrophobicContact CG-CB 4.01Å; K220-V245 HydrophobicContact CG-CG1 4.08Å
221	L	89.2	Confident	84.4	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	116.1	177.1	-179.4	59.7	0	0	0	110.4	L158 L160 L218 L223 I236 L243 V245 I246 L247	L158-L221 HydrophobicContact CB-CD1 4.25Å; L158-L221 HydrophobicContact CD2-CD1 3.95Å; L158-L221 HydrophobicContact CG-CD1 4.41Å; L158-L221 WeakPolarHBondContact O-CA 3.39Å; L160-L221 HydrophobicContact CD1-CD1 4.41Å; L218-L221 HydrophobicContact CD2-CB 3.84Å; L218-L221 HydrophobicContact CD2-CD1 3.95Å; L218-L221 HydrophobicContact CD2-CD2 4.29Å; L218-L221 HydrophobicContact CD2-CG 4.22Å; L221-L223 HydrophobicContact CD1-CD2 3.86Å; L221-L223 HydrophobicContact CD1-CG 4.25Å; L221-L223 HydrophobicContact CD2-CD1 3.99Å; L221-L223 HydrophobicContact CD2-CD2 4.33Å; L221-L223 HydrophobicContact CD2-CG 4.12Å; L221-L223 HydrophobicContact CG-CD1 4.3Å; L221-L223 HydrophobicContact CG-CD2 4.06Å; L221-L223 HydrophobicContact CG-CG 3.88Å; L221-I236 HydrophobicContact CD2-CD1 4.33Å; L221-I236 HydrophobicContact CD2-CG2 3.76Å; L221-L243 HydrophobicContact CB-CD1 3.78Å; L221-V245 PolarHBondContact N-O 2.76Å; L221-I246 HydrophobicContact CD2-CD1 4.48Å; L221-I246 WeakPolarHBondContact O-CA 3.45Å; L221-L247 PolarHBondContact O-N 3.43Å
222	D	87.8	Confident	83.6	Confident	8 Å²	8	34 Å²	34	4%	0.043	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	111.6	174.7	-172.7	-9.7	0	0	0	109.9	L158 C159 L160 R161 R224 L247	L158-D222 PolarHBondContact O-N 2.63Å; C159-D222 HydrophobicContact CB-CB 4.2Å; L160-D222 CarbonylContact C-O 3.36Å; L160-D222 WeakPolarHBondContact CA-O 2.9Å; L160-D222 PolarHBondContact N-O 3.18Å; R161-D222 IonicContact CZ-OD2 2.75Å; R161-D222 IonicContact NE-OD2 3.81Å; R161-D222 IonicContact NH2-OD2 2.76Å; R161-D222 PolarHBondContact NH2-OD2 3.36Å; R161-D222 VanDerWaalsContact NH2-OD2 3.15Å; D222-R224 VanDerWaalsContact OD1-CB 3.31Å; D222-R224 WeakPolarHBondContact OD1-CB 3.37Å; D222-R224 VanDerWaalsContact OD1-CG 3.25Å; D222-R224 WeakPolarHBondContact OD1-CG 3.25Å; D222-R224 IonicContact OD1-CZ 3.87Å; D222-R224 PolarHBondContact OD1-N 2.99Å; D222-R224 VanDerWaalsContact OD1-N 3.07Å; D222-R224 IonicContact OD1-NE 3.8Å; D222-R224 PolarHBondContact OD1-NE 2.97Å; D222-R224 IonicContact OD2-CZ 3.37Å; D222-R224 VanDerWaalsContact OD2-CZ 3.3Å; D222-R224 IonicContact OD2-NE 3.46Å; D222-R224 PolarHBondContact OD2-NE 2.79Å; D222-R224 VanDerWaalsContact OD2-NE 3.07Å; D222-R224 IonicContact OD2-NH2 3.99Å; D222-R224 PolarHBondContact OD2-NH2 2.96Å; D222-L247 HydrophobicContact CB-CB 4.34Å; D222-L247 HydrophobicContact CB-CD1 4.19Å
223	L	85.8	Confident	82.7	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.176	C	C	.	.			trans	-114.3	18.5	178.4	-60.9	179.8	0	0	0	112	L160 I204 L221 G225 C226 V228 I236 L247 I248	L160-L223 HydrophobicContact CB-CD2 4.14Å; L160-L223 HydrophobicContact CD1-CD2 3.96Å; I204-L223 HydrophobicContact CD1-CD2 4.27Å; L221-L223 HydrophobicContact CD1-CD2 3.86Å; L221-L223 HydrophobicContact CD1-CG 4.25Å; L221-L223 HydrophobicContact CD2-CD1 3.99Å; L221-L223 HydrophobicContact CD2-CD2 4.33Å; L221-L223 HydrophobicContact CD2-CG 4.12Å; L221-L223 HydrophobicContact CG-CD1 4.3Å; L221-L223 HydrophobicContact CG-CD2 4.06Å; L221-L223 HydrophobicContact CG-CG 3.88Å; L223-G225 PolarHBondContact O-N 3.17Å; L223-C226 HydrophobicContact CB-CB 4.43Å; L223-C226 VanDerWaalsContact O-CB 3.29Å; L223-C226 WeakPolarHBondContact O-CB 3.37Å; L223-C226 PolarHBondContact O-N 3.31Å; L223-V228 HydrophobicContact CB-CG2 4.29Å; L223-V228 HydrophobicContact CD1-CG2 3.93Å; L223-I236 HydrophobicContact CD1-CD1 4.02Å; L223-L247 CarbonylContact C-O 3.52Å; L223-L247 WeakPolarHBondContact CA-O 3.44Å; L223-L247 PolarHBondContact N-O 3.3Å; L223-I248 HydrophobicContact CB-CG1 4.22Å
224	R	80.5	Confident	81.6	Confident	43 Å²	43	37.7 Å²	37.7	16%	0.162	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	135.7	-179.3	-73.3	-178.4	-81.9	-174	-11.5	111.8	R161 N162 D222 C226 L247 E249	R161-R224 CarbonylContact C-O 3.55Å; R161-R224 WeakPolarHBondContact CA-O 3.44Å; R161-R224 HydrophobicContact CG-CB 3.91Å; R161-R224 VanDerWaalsContact CG-O 3.27Å; R161-R224 WeakPolarHBondContact CG-O 3.29Å; R161-R224 VanDerWaalsContact NH2-CZ 3.25Å; N162-R224 PolarHBondContact N-O 3.08Å; D222-R224 VanDerWaalsContact OD1-CB 3.31Å; D222-R224 WeakPolarHBondContact OD1-CB 3.37Å; D222-R224 VanDerWaalsContact OD1-CG 3.25Å; D222-R224 WeakPolarHBondContact OD1-CG 3.25Å; D222-R224 IonicContact OD1-CZ 3.87Å; D222-R224 PolarHBondContact OD1-N 2.99Å; D222-R224 VanDerWaalsContact OD1-N 3.07Å; D222-R224 IonicContact OD1-NE 3.8Å; D222-R224 PolarHBondContact OD1-NE 2.97Å; D222-R224 IonicContact OD2-CZ 3.37Å; D222-R224 VanDerWaalsContact OD2-CZ 3.3Å; D222-R224 IonicContact OD2-NE 3.46Å; D222-R224 PolarHBondContact OD2-NE 2.79Å; D222-R224 VanDerWaalsContact OD2-NE 3.07Å; D222-R224 IonicContact OD2-NH2 3.99Å; D222-R224 PolarHBondContact OD2-NH2 2.96Å; R224-C226 PolarHBondContact O-N 2.93Å; R224-L247 HydrophobicContact CG-CB 4.1Å; R224-L247 PolarHBondContact N-O 3.07Å; R224-E249 HydrophobicContact CB-CB 4.14Å; R224-E249 HydrophobicContact CB-CG 4.18Å; R224-E249 WeakPolarHBondContact CD-OE1 3.24Å; R224-E249 HydrophobicContact CG-CB 4.04Å; R224-E249 HydrophobicContact CG-CG 3.7Å; R224-E249 IonicContact NH1-OE1 3.13Å
225	G	75.2	Confident	80.8	Confident	21 Å²	21	38.8 Å²	38.8	22%	0.216	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	10.9	-176.1	0	0	0	0	0	115.6	N162 Q202 L223	N162-G225 VanDerWaalsContact OD1-CA 3.31Å; N162-G225 WeakPolarHBondContact OD1-CA 3.27Å; N162-G225 PolarHBondContact OD1-O 3.44Å; Q202-G225 PolarHBondContact NE2-O 2.93Å; L223-G225 PolarHBondContact O-N 3.17Å
226	C	80.2	Confident	80.1	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.014	18%	0.184	C	C	.	.	S	Bend	trans	-95.9	149.6	163.8	-64.2	0	0	0	0	110	L160 Q202 I204 L223 R224 V228	L160-C226 PolarHBondContact O-SG 2.66Å; Q202-C226 WeakPolarHBondContact O-CA 3.46Å; Q202-C226 WeakPolarHBondContact O-CB 3.42Å; I204-C226 HydrophobicContact CD1-CB 4.08Å; I204-C226 HydrophobicContact CG1-CB 4.02Å; L223-C226 HydrophobicContact CB-CB 4.43Å; L223-C226 VanDerWaalsContact O-CB 3.29Å; L223-C226 WeakPolarHBondContact O-CB 3.37Å; L223-C226 PolarHBondContact O-N 3.31Å; R224-C226 PolarHBondContact O-N 2.93Å; C226-V228 HydrophobicContact CB-CG2 4.46Å
227	V	78.6	Confident	79.4	Confident	32 Å²	32	37 Å²	37	19%	0.194	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-87.2	121.8	172.7	173.4	0	0	0	0	108.3	Q202 E203 I204 R252	Q202-V227 PolarHBondContact O-N 3.42Å; E203-V227 CarbonylContact C-O 3.57Å; E203-V227 WeakPolarHBondContact CA-O 3.45Å; E203-V227 HydrophobicContact CB-CB 4.38Å; E203-V227 HydrophobicContact CG-CB 4.5Å; E203-V227 HydrophobicContact CG-CG1 4.22Å; I204-V227 PolarHBondContact N-O 3.35Å; V227-R252 VanDerWaalsContact CG1-NH2 3.28Å
228	V	73.8	Confident	78.7	Confident	4 Å²	4	42.9 Å²	42.9	2%	0.024	20%	0.202	C	C	.	.			trans	-125.2	114.3	-175.8	-166.9	0	0	0	0	109.6	I204 L223 C226 I232 L233 T253	I204-V228 HydrophobicContact CB-CG2 4.49Å; I204-V228 HydrophobicContact CG1-CG2 3.9Å; L223-V228 HydrophobicContact CB-CG2 4.29Å; L223-V228 HydrophobicContact CD1-CG2 3.93Å; C226-V228 HydrophobicContact CB-CG2 4.46Å; V228-I232 HydrophobicContact CG1-CB 4.4Å; V228-I232 HydrophobicContact CG1-CG2 3.7Å; V228-L233 HydrophobicContact CG1-CB 4.11Å; V228-T253 PolarHBondContact O-OG1 3.47Å
229	E	72.1	Confident	78.2	Confident	96 Å²	96	45.7 Å²	45.7	45%	0.449	22%	0.215	S	C	.	.			trans	-68.8	157.5	174.1	-60.7	-168.8	150.4	0	0	112	I232 L233	E229-I232 HydrophobicContact CB-CB 4.27Å; E229-I232 HydrophobicContact CB-CG1 4Å; E229-I232 WeakPolarHBondContact O-CB 3.43Å; E229-I232 PolarHBondContact O-N 2.82Å; E229-L233 PolarHBondContact O-N 2.91Å
230	N	62.8	Low	78	Confident	29 Å²	29	40.6 Å²	40.6	16%	0.155	20%	0.196	C	C	.	.	H	α-helix	trans	-62.9	-48.2	-178.6	-72.5	11	0	0	0	112.8	I232 L233 Y234 E260	N230-I232 PolarHBondContact O-N 2.87Å; N230-L233 PolarHBondContact O-N 3.32Å; N230-L233 VanDerWaalsContact O-N 3.11Å; N230-Y234 PolarHBondContact O-N 3.37Å; N230-E260 PolarHBondContact ND2-OE2 3.46Å
231	S	71.3	Confident	77.6	Confident	65 Å²	65	42.2 Å²	42.2	46%	0.455	21%	0.214	S	C	.	.	H	α-helix	trans	-54.3	-39.4	178.3	52.7	0	0	0	0	111.1	R235	S231-R235 VanDerWaalsContact O-CG 3.23Å; S231-R235 WeakPolarHBondContact O-CG 3.47Å; S231-R235 PolarHBondContact O-N 2.82Å; S231-R235 VanDerWaalsContact O-N 3.15Å
232	I	75.3	Confident	77.2	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66.9	-48.9	177.4	-67.8	-56	0	0	0	111.8	I204 D206 V209 V228 E229 N230 Y234 R235 I236	I204-I232 HydrophobicContact CB-CG2 4.27Å; I204-I232 HydrophobicContact CG2-CG2 3.83Å; I204-I232 WeakPolarHBondContact O-CG1 3.37Å; D206-I232 HydrophobicContact CB-CD1 4.27Å; D206-I232 WeakPolarHBondContact OD1-CD1 3.35Å; V209-I232 HydrophobicContact CB-CD1 4.15Å; V209-I232 HydrophobicContact CB-CG2 4.33Å; V209-I232 HydrophobicContact CG2-CB 4.24Å; V209-I232 HydrophobicContact CG2-CD1 4.02Å; V209-I232 HydrophobicContact CG2-CG2 3.19Å; V228-I232 HydrophobicContact CG1-CB 4.4Å; V228-I232 HydrophobicContact CG1-CG2 3.7Å; E229-I232 HydrophobicContact CB-CB 4.27Å; E229-I232 HydrophobicContact CB-CG1 4Å; E229-I232 WeakPolarHBondContact O-CB 3.43Å; E229-I232 PolarHBondContact O-N 2.82Å; N230-I232 PolarHBondContact O-N 2.87Å; I232-Y234 VanDerWaalsContact C-N 3.35Å; I232-Y234 PolarHBondContact O-N 2.88Å; I232-R235 WeakPolarHBondContact O-CB 3.49Å; I232-R235 PolarHBondContact O-N 3.45Å; I232-I236 HydrophobicContact CG2-CD1 4.12Å; I232-I236 WeakPolarHBondContact O-CG1 2.92Å; I232-I236 PolarHBondContact O-N 3.34Å
233	L	72.7	Confident	77	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.016	24%	0.243	C	C	.	.	H	α-helix	trans	-63.6	-41.8	179.8	-178.5	53.1	0	0	0	111.9	V228 E229 N230 R235 I236 L237 I246 I248 T253 L257	V228-L233 HydrophobicContact CG1-CB 4.11Å; E229-L233 PolarHBondContact O-N 2.91Å; N230-L233 PolarHBondContact O-N 3.32Å; N230-L233 VanDerWaalsContact O-N 3.11Å; L233-R235 VanDerWaalsContact C-N 3.3Å; L233-R235 PolarHBondContact O-N 2.69Å; L233-I236 WeakPolarHBondContact O-CB 3.49Å; L233-I236 PolarHBondContact O-N 3.03Å; L233-I236 VanDerWaalsContact O-N 3.14Å; L233-L237 HydrophobicContact CD1-CD1 4.33Å; L233-L237 HydrophobicContact CD1-CG 4.21Å; L233-L237 HydrophobicContact CG-CD1 4.28Å; L233-L237 WeakPolarHBondContact O-CG 3.5Å; L233-L237 PolarHBondContact O-N 2.77Å; L233-I246 HydrophobicContact CD1-CD1 3.48Å; L233-I246 VanDerWaalsContact CD1-CD1 3.48Å; L233-I248 HydrophobicContact CD1-CD1 3.66Å; L233-I248 HydrophobicContact CD2-CD1 3.75Å; L233-I248 HydrophobicContact CG-CD1 4.4Å; L233-T253 HydrophobicContact CD2-CG2 3.54Å; L233-L257 HydrophobicContact CD2-CD1 3.61Å; L233-L257 HydrophobicContact CD2-CD2 3.53Å; L233-L257 HydrophobicContact CD2-CG 3.97Å; L233-L257 HydrophobicContact CG-CD2 4.23Å
234	Y	68.3	Low	76.7	Confident	86 Å²	86	53.9 Å²	53.9	34%	0.337	27%	0.268	S	S	.	.	H	α-helix	trans	-54.5	-47	172.3	-101.1	-83.7	0	0	0	111.8	N230 I232 I236 L237 F238 E260 L261	N230-Y234 PolarHBondContact O-N 3.37Å; I232-Y234 VanDerWaalsContact C-N 3.35Å; I232-Y234 PolarHBondContact O-N 2.88Å; Y234-I236 PolarHBondContact O-N 2.85Å; Y234-L237 PolarHBondContact O-N 3.48Å; Y234-F238 VanDerWaalsContact O-CB 3.28Å; Y234-F238 WeakPolarHBondContact O-CB 3.43Å; Y234-F238 PolarHBondContact O-N 2.77Å; Y234-E260 HydrophobicContact CE2-CB 4.13Å; Y234-E260 WeakPolarHBondContact CE2-OE2 3.43Å; Y234-E260 WeakPolarHBondContact OH-CB 3.36Å; Y234-E260 PolarHBondContact OH-O 3.22Å; Y234-L261 HydrophobicContact CD1-CD2 4.48Å; Y234-L261 HydrophobicContact CE1-CD2 3.56Å; Y234-L261 HydrophobicContact CE1-CG 4.46Å; Y234-L261 HydrophobicContact CE2-CD2 4.23Å; Y234-L261 HydrophobicContact CE2-CG 4.28Å; Y234-L261 VanDerWaalsContact CZ-CD2 3.41Å; Y234-L261 WeakPolarHBondContact OH-CD2 3.35Å; Y234-L261 WeakPolarHBondContact OH-CG 3.36Å
235	R	76.4	Confident	76.6	Confident	81 Å²	81	54.5 Å²	54.5	31%	0.306	28%	0.276	S	S	.	.	H	α-helix	trans	-63.1	-40.1	177	-71.4	177.1	68.3	-169	2.3	112.4	D206 V209 S231 I232 L233 E239	D206-R235 IonicContact OD1-CZ 2.66Å; D206-R235 IonicContact OD1-NH1 3.27Å; D206-R235 PolarHBondContact OD1-NH1 2.98Å; V209-R235 HydrophobicContact CG1-CB 4.1Å; S231-R235 VanDerWaalsContact O-CG 3.23Å; S231-R235 WeakPolarHBondContact O-CG 3.47Å; S231-R235 PolarHBondContact O-N 2.82Å; S231-R235 VanDerWaalsContact O-N 3.15Å; I232-R235 WeakPolarHBondContact O-CB 3.49Å; I232-R235 PolarHBondContact O-N 3.45Å; L233-R235 VanDerWaalsContact C-N 3.3Å; L233-R235 PolarHBondContact O-N 2.69Å; R235-E239 IonicContact CZ-OE1 2.81Å; R235-E239 IonicContact NE-OE1 3.13Å; R235-E239 PolarHBondContact NE-OE1 2.83Å; R235-E239 IonicContact NH2-OE1 3.79Å; R235-E239 WeakPolarHBondContact O-CB 3.36Å; R235-E239 VanDerWaalsContact O-CG 3.3Å; R235-E239 WeakPolarHBondContact O-CG 3.29Å; R235-E239 PolarHBondContact O-N 2.8Å
236	I	80.6	Confident	76.8	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.9	-51.1	176.5	-70.1	171.4	0	0	0	110.4	V209 L221 L223 I232 L233 Y234 F238 L240 L243 I246	V209-I236 HydrophobicContact CG1-CG1 4.24Å; V209-I236 HydrophobicContact CG2-CD1 4.09Å; V209-I236 HydrophobicContact CG2-CG1 4.18Å; L221-I236 HydrophobicContact CD2-CD1 4.33Å; L221-I236 HydrophobicContact CD2-CG2 3.76Å; L223-I236 HydrophobicContact CD1-CD1 4.02Å; I232-I236 HydrophobicContact CG2-CD1 4.12Å; I232-I236 WeakPolarHBondContact O-CG1 2.92Å; I232-I236 PolarHBondContact O-N 3.34Å; L233-I236 WeakPolarHBondContact O-CB 3.49Å; L233-I236 PolarHBondContact O-N 3.03Å; L233-I236 VanDerWaalsContact O-N 3.14Å; Y234-I236 PolarHBondContact O-N 2.85Å; I236-F238 PolarHBondContact O-N 3.4Å; I236-L240 HydrophobicContact CG2-CD1 3.9Å; I236-L240 VanDerWaalsContact O-CB 3.25Å; I236-L240 WeakPolarHBondContact O-CB 3.36Å; I236-L240 WeakPolarHBondContact O-CG 3.39Å; I236-L240 PolarHBondContact O-N 2.95Å; I236-L240 VanDerWaalsContact O-N 3.12Å; I236-L243 HydrophobicContact CG2-CD2 3.9Å; I236-I246 HydrophobicContact CG2-CD1 4.02Å
237	L	75.9	Confident	76.6	Confident	63 Å²	63	57.2 Å²	57.2	33%	0.33	29%	0.285	S	S	.	.	H	α-helix	trans	-64.7	-39.5	-178	-67.1	174.2	0	0	0	112.2	L233 Y234 L243 I246 L261	L233-L237 HydrophobicContact CD1-CD1 4.33Å; L233-L237 HydrophobicContact CD1-CG 4.21Å; L233-L237 HydrophobicContact CG-CD1 4.28Å; L233-L237 WeakPolarHBondContact O-CG 3.5Å; L233-L237 PolarHBondContact O-N 2.77Å; Y234-L237 PolarHBondContact O-N 3.48Å; L237-L243 HydrophobicContact CD2-CD2 4.31Å; L237-I246 HydrophobicContact CD2-CD1 4.46Å; L237-I246 HydrophobicContact CD2-CG2 4.4Å; L237-L261 HydrophobicContact CD1-CD1 4.38Å
238	F	76.8	Confident	76.3	Confident	182 Å²	182	57.7 Å²	57.7	80%	0.798	29%	0.286	S	S	*	.	H	α-helix	trans	-77	-39.7	-179.1	-171.6	-98.2	0	0	0	113	Y234 I236	Y234-F238 VanDerWaalsContact O-CB 3.28Å; Y234-F238 WeakPolarHBondContact O-CB 3.43Å; Y234-F238 PolarHBondContact O-N 2.77Å; I236-F238 PolarHBondContact O-N 3.4Å
239	E	82.2	Confident	76	Confident	60 Å²	60	62.4 Å²	62.4	28%	0.28	31%	0.308	S	S	.	.	H	α-helix	trans	-91.3	-6.7	-172.7	-60.6	-167.4	-130.3	0	0	114.2	I213 K216 R235 P241	I213-E239 HydrophobicContact CB-CB 3.98Å; I213-E239 WeakPolarHBondContact CD1-OE2 3.39Å; I213-E239 HydrophobicContact CG2-CB 3.91Å; K216-E239 PolarHBondContact NZ-O 3.15Å; R235-E239 IonicContact CZ-OE1 2.81Å; R235-E239 IonicContact NE-OE1 3.13Å; R235-E239 PolarHBondContact NE-OE1 2.83Å; R235-E239 IonicContact NH2-OE1 3.79Å; R235-E239 WeakPolarHBondContact O-CB 3.36Å; R235-E239 VanDerWaalsContact O-CG 3.3Å; R235-E239 WeakPolarHBondContact O-CG 3.29Å; R235-E239 PolarHBondContact O-N 2.8Å; E239-P241 VanDerWaalsContact O-CD 3.31Å; E239-P241 WeakPolarHBondContact O-CD 3.26Å
240	L	83.7	Confident	75.3	Confident	3 Å²	3	58.4 Å²	58.4	2%	0.016	29%	0.289	C	S	.	.			trans	-112.8	81.3	174.8	-64.7	178.7	0	0	0	111.4	W215 L218 I236 K242 L243	W215-L240 VanDerWaalsContact O-CD2 3.29Å; W215-L240 WeakPolarHBondContact O-CD2 3.45Å; L218-L240 HydrophobicContact CB-CD1 4.5Å; L218-L240 HydrophobicContact CD2-CD1 3.97Å; I236-L240 HydrophobicContact CG2-CD1 3.9Å; I236-L240 VanDerWaalsContact O-CB 3.25Å; I236-L240 WeakPolarHBondContact O-CB 3.36Å; I236-L240 WeakPolarHBondContact O-CG 3.39Å; I236-L240 PolarHBondContact O-N 2.95Å; I236-L240 VanDerWaalsContact O-N 3.12Å; L240-K242 PolarHBondContact O-N 3.06Å; L240-K242 VanDerWaalsContact O-N 3.07Å; L240-L243 HydrophobicContact CB-CB 3.96Å; L240-L243 HydrophobicContact CD1-CD2 4.35Å; L240-L243 VanDerWaalsContact O-CB 3.3Å; L240-L243 WeakPolarHBondContact O-CB 3.25Å; L240-L243 PolarHBondContact O-N 3.31Å; L240-L243 VanDerWaalsContact O-N 3.09Å
241	P	79.4	Confident	74.6	Confident	108 Å²	108	61.2 Å²	61.2	70%	0.701	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-13.9	-170.7	27.8	-37.2	0	0	0	114.8	E239	E239-P241 VanDerWaalsContact O-CD 3.31Å; E239-P241 WeakPolarHBondContact O-CD 3.26Å
242	K	82.8	Confident	73.6	Confident	108 Å²	108	64.7 Å²	64.7	47%	0.47	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	2.4	178.6	-64.5	-174.6	-176.9	177.6	0	113.1	N217 L218 R219 L240 E244	N217-K242 PolarHBondContact OD1-NZ 2.8Å; L218-K242 CarbonylContact O-C 3.59Å; L218-K242 VanDerWaalsContact O-C 3.3Å; R219-K242 WeakPolarHBondContact CA-O 3.49Å; R219-K242 HydrophobicContact CG-CB 4.5Å; L240-K242 PolarHBondContact O-N 3.06Å; L240-K242 VanDerWaalsContact O-N 3.07Å; K242-E244 PolarHBondContact O-N 3.37Å
243	L	82.6	Confident	72.4	Confident	33 Å²	33	64.9 Å²	64.9	17%	0.173	31%	0.313	C	S	.	.			trans	-71.7	112.1	-175.8	-170.4	69.3	0	0	0	110	L218 L221 I236 L237 L240 I246	L218-L243 HydrophobicContact CD2-CD1 4.42Å; L218-L243 HydrophobicContact CG-CD1 4.4Å; L218-L243 WeakPolarHBondContact O-CA 3.37Å; L218-L243 PolarHBondContact O-N 2.72Å; L221-L243 HydrophobicContact CB-CD1 3.78Å; I236-L243 HydrophobicContact CG2-CD2 3.9Å; L237-L243 HydrophobicContact CD2-CD2 4.31Å; L240-L243 HydrophobicContact CB-CB 3.96Å; L240-L243 HydrophobicContact CD1-CD2 4.35Å; L240-L243 VanDerWaalsContact O-CB 3.3Å; L240-L243 WeakPolarHBondContact O-CB 3.25Å; L240-L243 PolarHBondContact O-N 3.31Å; L240-L243 VanDerWaalsContact O-N 3.09Å; L243-I246 HydrophobicContact CD2-CB 4.28Å; L243-I246 HydrophobicContact CD2-CD1 4.25Å
244	E	79	Confident	71.2	Confident	112 Å²	112	67.6 Å²	67.6	52%	0.523	33%	0.33	S	S	.	.			trans	-97.6	-32.9	-179.6	-69.9	166.3	-164	0	0	111.6	R219 K242	R219-E244 IonicContact CZ-OE1 2.98Å; R219-E244 IonicContact CZ-OE2 2.7Å; R219-E244 VanDerWaalsContact CZ-OE2 3.31Å; R219-E244 VanDerWaalsContact NE-CD 3.29Å; R219-E244 IonicContact NE-OE1 3.07Å; R219-E244 PolarHBondContact NE-OE1 2.75Å; R219-E244 IonicContact NE-OE2 3.64Å; R219-E244 PolarHBondContact NE-OE2 2.78Å; R219-E244 IonicContact NH2-OE1 2.95Å; R219-E244 PolarHBondContact NH2-OE1 2.76Å; R219-E244 IonicContact NH2-OE2 3.72Å; R219-E244 PolarHBondContact NH2-OE2 2.91Å; R219-E244 PolarHBondContact O-N 3.45Å; K242-E244 PolarHBondContact O-N 3.37Å
245	V	78.9	Confident	70.1	Confident	56 Å²	56	68.8 Å²	68.8	34%	0.339	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	124.5	-174.7	-179.1	0	0	0	0	110.2	R219 K220 L221 L247	R219-V245 PolarHBondContact O-N 3.08Å; K220-V245 CarbonylContact C-O 3.58Å; K220-V245 WeakPolarHBondContact CA-O 3.26Å; K220-V245 HydrophobicContact CB-CB 4.3Å; K220-V245 HydrophobicContact CD-CG1 4.45Å; K220-V245 HydrophobicContact CG-CB 4.01Å; K220-V245 HydrophobicContact CG-CG1 4.08Å; L221-V245 PolarHBondContact N-O 2.76Å; V245-L247 HydrophobicContact CG1-CD2 3.93Å; V245-L247 HydrophobicContact CG1-CG 4.1Å
246	I	78.8	Confident	68.6	Low	41 Å²	41	71.4 Å²	71.4	21%	0.21	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	127.8	169.1	-170.1	161.8	0	0	0	109.4	L221 L233 I236 L237 L243 I248	L221-I246 HydrophobicContact CD2-CD1 4.48Å; L221-I246 WeakPolarHBondContact O-CA 3.45Å; L233-I246 HydrophobicContact CD1-CD1 3.48Å; L233-I246 VanDerWaalsContact CD1-CD1 3.48Å; I236-I246 HydrophobicContact CG2-CD1 4.02Å; L237-I246 HydrophobicContact CD2-CD1 4.46Å; L237-I246 HydrophobicContact CD2-CG2 4.4Å; L243-I246 HydrophobicContact CD2-CB 4.28Å; L243-I246 HydrophobicContact CD2-CD1 4.25Å; I246-I248 HydrophobicContact CD1-CD1 3.86Å; I246-I248 HydrophobicContact CD1-CG1 4.47Å; I246-I248 HydrophobicContact CG1-CD1 3.91Å; I246-I248 HydrophobicContact CG1-CG1 4.09Å
247	L	76.3	Confident	66.9	Low	40 Å²	40	73.1 Å²	73.1	21%	0.209	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	119.1	178.7	-52.9	176.1	0	0	0	108.8	L221 D222 L223 R224 V245	L221-L247 PolarHBondContact O-N 3.43Å; D222-L247 HydrophobicContact CB-CB 4.34Å; D222-L247 HydrophobicContact CB-CD1 4.19Å; L223-L247 CarbonylContact C-O 3.52Å; L223-L247 WeakPolarHBondContact CA-O 3.44Å; L223-L247 PolarHBondContact N-O 3.3Å; R224-L247 HydrophobicContact CG-CB 4.1Å; R224-L247 PolarHBondContact N-O 3.07Å; V245-L247 HydrophobicContact CG1-CD2 3.93Å; V245-L247 HydrophobicContact CG1-CG 4.1Å
248	I	72.2	Confident	65.5	Low	41 Å²	41	73.5 Å²	73.5	21%	0.21	36%	0.358	C	S	.	.			trans	-132.9	137.1	179.2	-63.7	160.8	0	0	0	108	L223 L233 I246 D250	L223-I248 HydrophobicContact CB-CG1 4.22Å; L233-I248 HydrophobicContact CD1-CD1 3.66Å; L233-I248 HydrophobicContact CD2-CD1 3.75Å; L233-I248 HydrophobicContact CG-CD1 4.4Å; I246-I248 HydrophobicContact CD1-CD1 3.86Å; I246-I248 HydrophobicContact CD1-CG1 4.47Å; I246-I248 HydrophobicContact CG1-CD1 3.91Å; I246-I248 HydrophobicContact CG1-CG1 4.09Å; I248-D250 HydrophobicContact CG2-CB 4.16Å
249	E	67.6	Low	64.2	Low	103 Å²	103	74.7 Å²	74.7	48%	0.481	36%	0.357	S	S	.	.			trans	-123.6	73.4	171.7	-83.1	167.3	-167	0	0	106.8	R224	R224-E249 HydrophobicContact CB-CB 4.14Å; R224-E249 HydrophobicContact CB-CG 4.18Å; R224-E249 WeakPolarHBondContact CD-OE1 3.24Å; R224-E249 HydrophobicContact CG-CB 4.04Å; R224-E249 HydrophobicContact CG-CG 3.7Å; R224-E249 IonicContact NH1-OE1 3.13Å
250	D	57	Low	62.4	Low	12 Å²	12	77 Å²	77	6%	0.064	37%	0.368	C	S	.	.			trans	-132.3	113.3	168.6	-174.7	-23.1	0	0	0	108.2	I248 R252 T253	I248-D250 HydrophobicContact CG2-CB 4.16Å; D250-R252 PolarHBondContact O-N 3.2Å; D250-R252 VanDerWaalsContact O-N 3.14Å; D250-R252 VanDerWaalsContact OD1-CB 3.31Å; D250-R252 WeakPolarHBondContact OD1-CB 3.28Å; D250-R252 IonicContact OD1-CZ 3.98Å; D250-R252 PolarHBondContact OD1-N 3.13Å; D250-R252 IonicContact OD1-NE 2.75Å; D250-R252 PolarHBondContact OD1-NE 3.3Å; D250-R252 VanDerWaalsContact OD1-NE 3.14Å; D250-R252 IonicContact OD1-NH2 3.6Å; D250-R252 IonicContact OD2-CZ 3.14Å; D250-R252 IonicContact OD2-NE 3.98Å; D250-R252 PolarHBondContact OD2-NE 3.45Å; D250-R252 IonicContact OD2-NH2 3.36Å; D250-R252 PolarHBondContact OD2-NH2 3.25Å; D250-T253 WeakPolarHBondContact CB-OG1 3.25Å; D250-T253 PolarHBondContact O-N 3.18Å; D250-T253 VanDerWaalsContact O-N 3.1Å
251	P	48.5	Very low	60.7	Low	89 Å²	89	78.3 Å²	78.3	58%	0.578	37%	0.374	S	S	*	.	H	α-helix	trans	-55.1	-30.7	-179.9	-24.3	32.1	0	0	0	113.5
252	R	51.1	Low	59.2	Low	138 Å²	138	76.9 Å²	76.9	52%	0.521	38%	0.38	S	S	.	.	H	α-helix	trans	-76.5	-27.7	-177.4	-58.5	171.1	-64.5	177.5	2.7	112.2	V227 D250 R256	V227-R252 VanDerWaalsContact CG1-NH2 3.28Å; D250-R252 PolarHBondContact O-N 3.2Å; D250-R252 VanDerWaalsContact O-N 3.14Å; D250-R252 VanDerWaalsContact OD1-CB 3.31Å; D250-R252 WeakPolarHBondContact OD1-CB 3.28Å; D250-R252 IonicContact OD1-CZ 3.98Å; D250-R252 PolarHBondContact OD1-N 3.13Å; D250-R252 IonicContact OD1-NE 2.75Å; D250-R252 PolarHBondContact OD1-NE 3.3Å; D250-R252 VanDerWaalsContact OD1-NE 3.14Å; D250-R252 IonicContact OD1-NH2 3.6Å; D250-R252 IonicContact OD2-CZ 3.14Å; D250-R252 IonicContact OD2-NE 3.98Å; D250-R252 PolarHBondContact OD2-NE 3.45Å; D250-R252 IonicContact OD2-NH2 3.36Å; D250-R252 PolarHBondContact OD2-NH2 3.25Å; R252-R256 WeakPolarHBondContact O-CG 3.49Å
253	T	49.1	Very low	57.2	Low	3 Å²	3	74.5 Å²	74.5	2%	0.018	39%	0.385	C	S	.	.	H	α-helix	trans	-77.9	-40.1	-175.5	-49.3	0	0	0	0	110.6	V228 L233 D250 R256 L257	V228-T253 PolarHBondContact O-OG1 3.47Å; L233-T253 HydrophobicContact CD2-CG2 3.54Å; D250-T253 WeakPolarHBondContact CB-OG1 3.25Å; D250-T253 PolarHBondContact O-N 3.18Å; D250-T253 VanDerWaalsContact O-N 3.1Å; T253-R256 PolarHBondContact O-N 3.37Å; T253-L257 HydrophobicContact CG2-CD1 3.79Å; T253-L257 HydrophobicContact CG2-CG 4.16Å; T253-L257 WeakPolarHBondContact O-CB 3.35Å; T253-L257 WeakPolarHBondContact O-CD1 3.3Å; T253-L257 WeakPolarHBondContact O-CG 3.43Å; T253-L257 PolarHBondContact O-N 3.49Å
254	V	47.5	Very low	55.2	Low	60 Å²	60	81.2 Å²	81.2	36%	0.364	42%	0.416	S	S	.	.	H	α-helix	trans	-63.9	-53.1	-178.3	-178.1	0	0	0	0	111.9	R256 L257 E258	V254-R256 PolarHBondContact O-N 3.17Å; V254-R256 VanDerWaalsContact O-N 3.14Å; V254-L257 PolarHBondContact O-N 3.08Å; V254-E258 WeakPolarHBondContact O-CG 3.13Å; V254-E258 PolarHBondContact O-N 3.43Å
255	Q	45	Very low	53.6	Low	112 Å²	112	79 Å²	79	52%	0.523	41%	0.41	S	S	.	.	H	α-helix	trans	-61.3	-24.5	179.7	-67.2	-179.9	0.2	0	0	114
256	R	46.1	Very low	51.6	Low	135 Å²	135	86.4 Å²	86.4	51%	0.509	43%	0.432	S	S	.	.	H	α-helix	trans	-91	-37.1	-179.9	-72	-178	179.1	-172.2	-0.4	112.7	R252 T253 V254 E258 R259 E260	R252-R256 WeakPolarHBondContact O-CG 3.49Å; T253-R256 PolarHBondContact O-N 3.37Å; V254-R256 PolarHBondContact O-N 3.17Å; V254-R256 VanDerWaalsContact O-N 3.14Å; R256-E258 PolarHBondContact O-N 3.24Å; R256-R259 WeakPolarHBondContact O-CB 3.46Å; R256-R259 PolarHBondContact O-N 3.24Å; R256-E260 PolarHBondContact O-N 3.42Å
257	L	43.8	Very low	49.9	Very low	37 Å²	37	93.3 Å²	93.3	19%	0.194	46%	0.463	C	S	.	.	H	α-helix	trans	-56.5	-37.7	172.6	-76.3	164.4	0	0	0	111.5	L233 T253 V254 R259 E260 L261	L233-L257 HydrophobicContact CD2-CD1 3.61Å; L233-L257 HydrophobicContact CD2-CD2 3.53Å; L233-L257 HydrophobicContact CD2-CG 3.97Å; L233-L257 HydrophobicContact CG-CD2 4.23Å; T253-L257 HydrophobicContact CG2-CD1 3.79Å; T253-L257 HydrophobicContact CG2-CG 4.16Å; T253-L257 WeakPolarHBondContact O-CB 3.35Å; T253-L257 WeakPolarHBondContact O-CD1 3.3Å; T253-L257 WeakPolarHBondContact O-CG 3.43Å; T253-L257 PolarHBondContact O-N 3.49Å; V254-L257 PolarHBondContact O-N 3.08Å; L257-R259 VanDerWaalsContact C-N 3.26Å; L257-R259 PolarHBondContact O-N 3.48Å; L257-E260 PolarHBondContact O-N 2.92Å; L257-L261 HydrophobicContact CB-CD1 4.35Å; L257-L261 HydrophobicContact CD2-CD1 3.28Å; L257-L261 HydrophobicContact CD2-CG 4.28Å; L257-L261 HydrophobicContact CG-CD1 4.4Å; L257-L261 WeakPolarHBondContact O-CB 3.12Å; L257-L261 PolarHBondContact O-N 3.13Å
258	E	47	Very low	48.7	Very low	70 Å²	70	95.7 Å²	95.7	33%	0.327	47%	0.473	S	S	.	.	H	α-helix	trans	-56.8	-38	175	-71.7	170.9	171.5	0	0	113.1	V254 R256 S283	V254-E258 WeakPolarHBondContact O-CG 3.13Å; V254-E258 PolarHBondContact O-N 3.43Å; R256-E258 PolarHBondContact O-N 3.24Å; E258-S283 WeakPolarHBondContact OE1-CB 3.46Å; E258-S283 PolarHBondContact OE1-OG 3.5Å
259	R	50.5	Low	47.9	Very low	207 Å²	207	95.5 Å²	95.5	78%	0.781	48%	0.481	S	S	*	.	H	α-helix	trans	-74.5	-32.8	-177.8	-122.9	-174.8	-72.1	175.5	-6.6	112.9	R256 L257	R256-R259 WeakPolarHBondContact O-CB 3.46Å; R256-R259 PolarHBondContact O-N 3.24Å; L257-R259 VanDerWaalsContact C-N 3.26Å; L257-R259 PolarHBondContact O-N 3.48Å
260	E	42.6	Very low	47.2	Very low	108 Å²	108	93 Å²	93	51%	0.505	48%	0.479	S	S	.	.	H	α-helix	trans	-103.2	-31.3	-171	-63.5	179.9	168.5	0	0	113.4	N230 Y234 R256 L257	N230-E260 PolarHBondContact ND2-OE2 3.46Å; Y234-E260 HydrophobicContact CE2-CB 4.13Å; Y234-E260 WeakPolarHBondContact CE2-OE2 3.43Å; Y234-E260 WeakPolarHBondContact OH-CB 3.36Å; Y234-E260 PolarHBondContact OH-O 3.22Å; R256-E260 PolarHBondContact O-N 3.42Å; L257-E260 PolarHBondContact O-N 2.92Å
261	L	48.6	Very low	47.2	Very low	31 Å²	31	93.7 Å²	93.7	16%	0.162	48%	0.482	C	S	.	.	H	α-helix	trans	-101.9	3.3	-171.3	-72.2	174.3	0	0	0	115.9	Y234 L237 L257 G263 Q264 V265	Y234-L261 HydrophobicContact CD1-CD2 4.48Å; Y234-L261 HydrophobicContact CE1-CD2 3.56Å; Y234-L261 HydrophobicContact CE1-CG 4.46Å; Y234-L261 HydrophobicContact CE2-CD2 4.23Å; Y234-L261 HydrophobicContact CE2-CG 4.28Å; Y234-L261 VanDerWaalsContact CZ-CD2 3.41Å; Y234-L261 WeakPolarHBondContact OH-CD2 3.35Å; Y234-L261 WeakPolarHBondContact OH-CG 3.36Å; L237-L261 HydrophobicContact CD1-CD1 4.38Å; L257-L261 HydrophobicContact CB-CD1 4.35Å; L257-L261 HydrophobicContact CD2-CD1 3.28Å; L257-L261 HydrophobicContact CD2-CG 4.28Å; L257-L261 HydrophobicContact CG-CD1 4.4Å; L257-L261 WeakPolarHBondContact O-CB 3.12Å; L257-L261 PolarHBondContact O-N 3.13Å; L261-G263 PolarHBondContact O-N 2.79Å; L261-Q264 PolarHBondContact O-N 3.37Å; L261-V265 HydrophobicContact CB-CG2 4.32Å; L261-V265 HydrophobicContact CD1-CG2 4.39Å
262	G	47.9	Very low	47.4	Very low	79 Å²	79	93.1 Å²	93.1	81%	0.814	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-9.5	-175.1	0	0	0	0	0	116.8
263	G	41	Very low	47.5	Very low	57 Å²	57	88 Å²	88	59%	0.588	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-21.9	178.6	0	0	0	0	0	118.2	L261	L261-G263 PolarHBondContact O-N 2.79Å
264	Q	41.8	Very low	47.5	Very low	175 Å²	175	91.1 Å²	91.1	82%	0.818	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123	-4.5	-160.4	-73.1	-162.7	-8	0	0	117.9	L261 R266	L261-Q264 PolarHBondContact O-N 3.37Å; Q264-R266 VanDerWaalsContact C-N 3.26Å; Q264-R266 PolarHBondContact O-N 3.17Å
265	V	44	Very low	47.1	Very low	64 Å²	64	91.9 Å²	91.9	39%	0.388	48%	0.475	S	S	.	.			trans	-84	70.3	173.7	-169.4	0	0	0	0	109.7	L261 Q268	L261-V265 HydrophobicContact CB-CG2 4.32Å; L261-V265 HydrophobicContact CD1-CG2 4.39Å; V265-Q268 HydrophobicContact CG1-CG 3.87Å
266	R	37.1	Very low	47.1	Very low	212 Å²	212	89.2 Å²	89.2	80%	0.8	46%	0.464	S	S	*	.			trans	-89.7	-0.4	-174.3	-87	-171.6	176	-172.5	-0.6	116.1	Q264	Q264-R266 VanDerWaalsContact C-N 3.26Å; Q264-R266 PolarHBondContact O-N 3.17Å
267	E	43.5	Very low	46.7	Very low	186 Å²	186	89.2 Å²	89.2	87%	0.869	47%	0.473	S	S	*	.			trans	-137.3	25.9	-167.7	-63.1	-171.8	172.3	0	0	116.5	G269	E267-G269 PolarHBondContact O-N 3.37Å
268	Q	50.8	Low	46.5	Very low	90 Å²	90	94.8 Å²	94.8	42%	0.421	50%	0.503	S	S	.	.			trans	-85.1	114	175	-70.6	-174.3	-11.2	0	0	111.7	V265 A270	V265-Q268 HydrophobicContact CG1-CG 3.87Å; Q268-A270 VanDerWaalsContact C-N 3.3Å; Q268-A270 PolarHBondContact O-N 3.27Å
269	G	55.1	Low	46.4	Very low	37 Å²	37	93.1 Å²	93.1	38%	0.381	50%	0.497	S	S	.	.	S	Bend	trans	-76.5	-8.8	177.2	0	0	0	0	0	115.1	E267 K293 T294	E267-G269 PolarHBondContact O-N 3.37Å; G269-K293 WeakPolarHBondContact O-CB 3.42Å; G269-K293 PolarHBondContact O-N 2.87Å; G269-T294 PolarHBondContact O-N 2.81Å
270	A	54.3	Low	46.1	Very low	52 Å²	52	86.6 Å²	86.6	43%	0.43	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	139	180	0	0	0	0	0	110.9	Q268	Q268-A270 VanDerWaalsContact C-N 3.3Å; Q268-A270 PolarHBondContact O-N 3.27Å
271	L	56.5	Low	46.3	Very low	25 Å²	25	81.7 Å²	81.7	13%	0.131	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	127	177.3	-177	65.6	0	0	0	108.3	I273 L289 L292 T294 T296	L271-I273 HydrophobicContact CD1-CG1 4.47Å; L271-I273 HydrophobicContact CD2-CD1 4.02Å; L271-I273 HydrophobicContact CD2-CG1 4.4Å; L271-I273 HydrophobicContact CG-CD1 4.3Å; L271-I273 HydrophobicContact CG-CG1 4.13Å; L271-L289 HydrophobicContact CD2-CD2 4.42Å; L271-L292 HydrophobicContact CB-CD1 3.46Å; L271-L292 VanDerWaalsContact CB-CD1 3.46Å; L271-L292 HydrophobicContact CB-CD2 4.21Å; L271-L292 HydrophobicContact CB-CG 4.49Å; L271-T294 PolarHBondContact N-O 3.41Å; L271-T296 PolarHBondContact O-N 3.49Å
272	T	53.2	Low	46	Very low	77 Å²	77	84.2 Å²	84.2	47%	0.472	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	120.1	175.8	-61	0	0	0	0	108.3	M274 T296	T272-M274 HydrophobicContact CG2-CG 4.14Å; T272-T296 HydrophobicContact CG2-CG2 4.05Å
273	I	52.6	Low	46.1	Very low	30 Å²	30	82.2 Å²	82.2	15%	0.154	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	120.2	176.1	-53.7	167.9	0	0	0	106.9	L271 E284 T296 L297 M298	L271-I273 HydrophobicContact CD1-CG1 4.47Å; L271-I273 HydrophobicContact CD2-CD1 4.02Å; L271-I273 HydrophobicContact CD2-CG1 4.4Å; L271-I273 HydrophobicContact CG-CD1 4.3Å; L271-I273 HydrophobicContact CG-CG1 4.13Å; I273-E284 HydrophobicContact CD1-CB 4.48Å; I273-E284 HydrophobicContact CD1-CG 3.74Å; I273-T296 PolarHBondContact N-O 2.95Å; I273-T296 VanDerWaalsContact O-O 3.07Å; I273-L297 HydrophobicContact CB-CD2 3.92Å; I273-L297 HydrophobicContact CD1-CD2 3.93Å; I273-L297 HydrophobicContact CG1-CD2 4.33Å; I273-L297 WeakPolarHBondContact O-CA 3.42Å; I273-M298 PolarHBondContact O-N 3.14Å
274	M	47.8	Very low	46.5	Very low	70 Å²	70	80.6 Å²	80.6	35%	0.345	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	152.2	175.9	-59.8	-172.4	-59.8	0	0	109.1	T272 D276	T272-M274 HydrophobicContact CG2-CG 4.14Å; M274-D276 PolarHBondContact O-N 3.06Å
275	Q	40.9	Very low	46.6	Very low	76 Å²	76	73.6 Å²	73.6	36%	0.355	39%	0.388	S	S	.	.			trans	-38.2	124.7	-178.3	-176	176.3	18.1	0	0	114.6	M298 N299	Q275-M298 PolarHBondContact N-O 2.68Å; Q275-N299 HydrophobicContact CB-CB 3.6Å; Q275-N299 VanDerWaalsContact CB-O 3.26Å; Q275-N299 WeakPolarHBondContact CB-O 3.07Å; Q275-N299 HydrophobicContact CG-CB 4.07Å; Q275-N299 VanDerWaalsContact CG-O 3.27Å; Q275-N299 WeakPolarHBondContact CG-O 3.32Å; Q275-N299 PolarHBondContact OE1-ND2 3.32Å; Q275-N299 VanDerWaalsContact OE1-ND2 3.1Å
276	D	44.1	Very low	47	Very low	55 Å²	55	75.5 Å²	75.5	29%	0.294	40%	0.404	S	S	.	.			trans	-113.3	122.7	157.9	-179.8	-9.9	0	0	0	105.7	M274 N278 N279	M274-D276 PolarHBondContact O-N 3.06Å; D276-N278 PolarHBondContact O-N 2.95Å; D276-N278 VanDerWaalsContact O-N 3.17Å; D276-N278 PolarHBondContact OD1-N 3.49Å; D276-N279 HydrophobicContact CB-CB 3.84Å; D276-N279 PolarHBondContact O-N 2.7Å; D276-N279 WeakPolarHBondContact OD2-CB 3.3Å
277	L	37.2	Very low	47.8	Very low	135 Å²	135	70.1 Å²	70.1	71%	0.707	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-18.6	178.6	-72.9	166.6	0	0	0	112.2
278	N	40	Very low	48.5	Very low	154 Å²	154	71.7 Å²	71.7	82%	0.824	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.3	3.2	-173.3	-65.2	-32.8	0	0	0	114	D276	D276-N278 PolarHBondContact O-N 2.95Å; D276-N278 VanDerWaalsContact O-N 3.17Å; D276-N278 PolarHBondContact OD1-N 3.49Å
279	N	45.5	Very low	49.2	Very low	36 Å²	36	68 Å²	68	19%	0.193	37%	0.365	C	S	.	.			trans	-132.7	124.3	-177.4	-168.4	-7.7	0	0	0	111.8	D276 G281	D276-N279 HydrophobicContact CB-CB 3.84Å; D276-N279 PolarHBondContact O-N 2.7Å; D276-N279 WeakPolarHBondContact OD2-CB 3.3Å; N279-G281 VanDerWaalsContact C-N 3.32Å; N279-G281 PolarHBondContact OD1-N 2.62Å
280	N	43.1	Very low	49.9	Very low	69 Å²	69	68.6 Å²	68.6	37%	0.369	36%	0.359	S	S	.	.			trans	-90.2	8.5	-180	58.6	8.6	0	0	0	113.6	L282 N301 A302	N280-L282 WeakPolarHBondContact ND2-CD1 3.19Å; N280-L282 PolarHBondContact O-N 3.15Å; N280-L282 WeakPolarHBondContact OD1-CB 3.42Å; N280-L282 WeakPolarHBondContact OD1-CD1 2.97Å; N280-L282 WeakPolarHBondContact OD1-CG 3.43Å; N280-L282 PolarHBondContact OD1-N 3.46Å; N280-N301 WeakPolarHBondContact CA-O 3.4Å; N280-N301 WeakPolarHBondContact CB-O 3.48Å; N280-A302 WeakPolarHBondContact O-CB 3.34Å
281	G	47	Very low	50.6	Low	5 Å²	5	71 Å²	71	5%	0.052	37%	0.365	C	S	.	.	S	Bend	trans	67.2	13.6	176.5	0	0	0	0	0	114.5	N279 S283 E284	N279-G281 VanDerWaalsContact C-N 3.32Å; N279-G281 PolarHBondContact OD1-N 2.62Å; G281-S283 PolarHBondContact O-N 2.99Å; G281-S283 VanDerWaalsContact O-N 3.13Å; G281-E284 PolarHBondContact O-N 3.36Å; G281-E284 VanDerWaalsContact O-N 3.15Å
282	L	43.3	Very low	51.3	Low	85 Å²	85	70.3 Å²	70.3	45%	0.445	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-57.3	-25.9	178.3	-77.3	173.3	0	0	0	112.8	N280 L285 S306	N280-L282 WeakPolarHBondContact ND2-CD1 3.19Å; N280-L282 PolarHBondContact O-N 3.15Å; N280-L282 WeakPolarHBondContact OD1-CB 3.42Å; N280-L282 WeakPolarHBondContact OD1-CD1 2.97Å; N280-L282 WeakPolarHBondContact OD1-CG 3.43Å; N280-L282 PolarHBondContact OD1-N 3.46Å; L282-L285 HydrophobicContact CB-CD1 4.45Å; L282-L285 HydrophobicContact CD2-CD1 3.56Å; L282-L285 WeakPolarHBondContact O-CB 3.05Å; L282-L285 WeakPolarHBondContact O-CG 3.17Å; L282-L285 PolarHBondContact O-N 3.22Å; L282-S306 WeakPolarHBondContact CD2-OG 3.39Å
283	S	48.8	Very low	52.5	Low	37 Å²	37	72.1 Å²	72.1	26%	0.259	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-70.9	-31.2	179.2	53	0	0	0	0	113.4	E258 G281 L285 S286	E258-S283 WeakPolarHBondContact OE1-CB 3.46Å; E258-S283 PolarHBondContact OE1-OG 3.5Å; G281-S283 PolarHBondContact O-N 2.99Å; G281-S283 VanDerWaalsContact O-N 3.13Å; S283-L285 PolarHBondContact O-N 3.17Å; S283-S286 PolarHBondContact O-N 3.47Å; S283-S286 PolarHBondContact O-OG 3.28Å
284	E	49.5	Very low	53.7	Low	22 Å²	22	72.3 Å²	72.3	10%	0.103	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-65.6	-20	176.3	-67.4	-70.1	158	0	0	112.1	I273 G281 S286 R287	I273-E284 HydrophobicContact CD1-CB 4.48Å; I273-E284 HydrophobicContact CD1-CG 3.74Å; G281-E284 PolarHBondContact O-N 3.36Å; G281-E284 VanDerWaalsContact O-N 3.15Å; E284-S286 PolarHBondContact O-N 3.5Å; E284-S286 VanDerWaalsContact O-N 3.16Å; E284-R287 PolarHBondContact O-N 3.17Å; E284-R287 IonicContact OE1-CZ 3.68Å; E284-R287 IonicContact OE1-NH1 3.58Å; E284-R287 PolarHBondContact OE1-NH1 2.97Å; E284-R287 WeakPolarHBondContact OE2-CD 3Å; E284-R287 IonicContact OE2-CZ 3.69Å; E284-R287 IonicContact OE2-NE 2.67Å; E284-R287 IonicContact OE2-NH1 2.6Å; E284-R287 PolarHBondContact OE2-NH1 3.25Å
285	L	45.2	Very low	55.2	Low	29 Å²	29	69 Å²	69	15%	0.152	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-65.2	-15.7	177.7	-55.2	-176.8	0	0	0	114	L282 S283 S306 H309 I310 K313	L282-L285 HydrophobicContact CB-CD1 4.45Å; L282-L285 HydrophobicContact CD2-CD1 3.56Å; L282-L285 WeakPolarHBondContact O-CB 3.05Å; L282-L285 WeakPolarHBondContact O-CG 3.17Å; L282-L285 PolarHBondContact O-N 3.22Å; S283-L285 PolarHBondContact O-N 3.17Å; L285-S306 WeakPolarHBondContact CD2-O 3.46Å; L285-H309 HydrophobicContact CD2-CB 4.04Å; L285-H309 VanDerWaalsContact CD2-CD2 3.48Å; L285-H309 WeakPolarHBondContact CD2-CD2 3.44Å; L285-H309 PolarHBondContact O-NE2 2.66Å; L285-I310 HydrophobicContact CD2-CD1 4.2Å; L285-I310 HydrophobicContact CD2-CG1 3.5Å; L285-K313 PolarHBondContact O-NZ 3.22Å
286	S	51.3	Low	56.9	Low	104 Å²	104	66.3 Å²	66.3	73%	0.727	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-85.5	-14.5	-179.7	59.2	0	0	0	0	113.7	S283 E284	S283-S286 PolarHBondContact O-N 3.47Å; S283-S286 PolarHBondContact O-OG 3.28Å; E284-S286 PolarHBondContact O-N 3.5Å; E284-S286 VanDerWaalsContact O-N 3.16Å
287	R	53.6	Low	58.2	Low	98 Å²	98	63.7 Å²	63.7	37%	0.37	32%	0.323	S	S	.	.	S	Bend	trans	-76.7	157.1	-179	-68	-177.7	170.8	161.1	-2.6	113	E284 L289 K313	E284-R287 PolarHBondContact O-N 3.17Å; E284-R287 IonicContact OE1-CZ 3.68Å; E284-R287 IonicContact OE1-NH1 3.58Å; E284-R287 PolarHBondContact OE1-NH1 2.97Å; E284-R287 WeakPolarHBondContact OE2-CD 3Å; E284-R287 IonicContact OE2-CZ 3.69Å; E284-R287 IonicContact OE2-NE 2.67Å; E284-R287 IonicContact OE2-NH1 2.6Å; E284-R287 PolarHBondContact OE2-NH1 3.25Å; R287-L289 HydrophobicContact CB-CD2 3.97Å; R287-L289 HydrophobicContact CB-CG 4.46Å; R287-K313 PolarHBondContact O-NZ 2.98Å
288	R	58	Low	59.6	Low	219 Å²	219	58.6 Å²	58.6	83%	0.826	30%	0.296	S	S	*	.			trans	-84.3	114.6	156.6	-72.7	-170.1	-178.9	-171.6	-1.4	107.3	D290	R288-D290 VanDerWaalsContact C-N 3.3Å
289	L	65.8	Low	60.7	Low	13 Å²	13	52.5 Å²	52.5	7%	0.068	26%	0.264	C	S	.	.			trans	-96.7	14.7	179.7	-59.2	176.7	0	0	0	111.9	L271 R287 N291 L292 I310 K313	L271-L289 HydrophobicContact CD2-CD2 4.42Å; R287-L289 HydrophobicContact CB-CD2 3.97Å; R287-L289 HydrophobicContact CB-CG 4.46Å; L289-N291 PolarHBondContact O-N 3.2Å; L289-N291 VanDerWaalsContact O-N 3.14Å; L289-L292 HydrophobicContact CB-CB 4.39Å; L289-L292 WeakPolarHBondContact O-CB 3.41Å; L289-L292 PolarHBondContact O-N 3.07Å; L289-I310 HydrophobicContact CD1-CG2 3.94Å; L289-K313 CarbonylContact C-O 3.53Å; L289-K313 HydrophobicContact CB-CB 4.02Å; L289-K313 HydrophobicContact CD1-CB 4.2Å; L289-K313 HydrophobicContact CG-CB 4.32Å
290	D	70.5	Confident	61.3	Low	50 Å²	50	51.1 Å²	51.1	27%	0.267	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-42.4	-170.7	-45.6	-9.9	0	0	0	111.4	R288 L292 I315 F316	R288-D290 VanDerWaalsContact C-N 3.3Å; D290-L292 PolarHBondContact O-N 3.3Å; D290-I315 HydrophobicContact CB-CD1 4.13Å; D290-F316 WeakPolarHBondContact O-CD2 3.35Å; D290-F316 PolarHBondContact O-N 2.95Å
291	N	67.9	Low	62.2	Low	103 Å²	103	50.4 Å²	50.4	55%	0.551	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	1.6	-177.7	-67.2	-30	0	0	0	115.1	L289 K293	L289-N291 PolarHBondContact O-N 3.2Å; L289-N291 VanDerWaalsContact O-N 3.14Å; N291-K293 PolarHBondContact O-N 3.25Å
292	L	71.7	Confident	62.8	Low	9 Å²	9	50.4 Å²	50.4	5%	0.047	25%	0.251	C	S	.	.			trans	-72.2	118.1	-174.3	-172.5	67.5	0	0	0	110.8	L271 L289 D290 T294 L295 F316 L317	L271-L292 HydrophobicContact CB-CD1 3.46Å; L271-L292 VanDerWaalsContact CB-CD1 3.46Å; L271-L292 HydrophobicContact CB-CD2 4.21Å; L271-L292 HydrophobicContact CB-CG 4.49Å; L289-L292 HydrophobicContact CB-CB 4.39Å; L289-L292 WeakPolarHBondContact O-CB 3.41Å; L289-L292 PolarHBondContact O-N 3.07Å; D290-L292 PolarHBondContact O-N 3.3Å; L292-T294 WeakPolarHBondContact CD1-O 3.39Å; L292-L295 HydrophobicContact CD2-CB 3.89Å; L292-L295 HydrophobicContact CD2-CD1 3.98Å; L292-L295 HydrophobicContact CD2-CG 4.34Å; L292-F316 CarbonylContact O-C 3.59Å; L292-L317 HydrophobicContact CD2-CD1 4.44Å; L292-L317 HydrophobicContact CG-CD1 4.37Å; L292-L317 WeakPolarHBondContact O-CA 3.43Å; L292-L317 PolarHBondContact O-N 3Å
293	K	79.5	Confident	64	Low	116 Å²	116	48.4 Å²	48.4	50%	0.504	25%	0.245	S	C	.	.			trans	-95.8	-32	178.7	-62	-177.3	-179.6	177	0	113	G269 N291 H318 E319	G269-K293 WeakPolarHBondContact O-CB 3.42Å; G269-K293 PolarHBondContact O-N 2.87Å; N291-K293 PolarHBondContact O-N 3.25Å; K293-H318 WeakPolarHBondContact O-CA 3.28Å; K293-H318 WeakPolarHBondContact O-CB 3.43Å; K293-H318 PolarHBondContact O-N 3.15Å; K293-E319 PolarHBondContact O-N 3.07Å
294	T	77.7	Confident	65	Low	34 Å²	34	48.5 Å²	48.5	21%	0.209	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	123.6	-179.6	-58.4	0	0	0	0	109.8	G269 L271 L292 E319	G269-T294 PolarHBondContact O-N 2.81Å; L271-T294 PolarHBondContact N-O 3.41Å; L292-T294 WeakPolarHBondContact CD1-O 3.39Å; T294-E319 WeakPolarHBondContact CA-O 3.36Å; T294-E319 HydrophobicContact CG2-CB 4Å; T294-E319 HydrophobicContact CG2-CG 3.94Å
295	L	79.2	Confident	65.9	Low	1 Å²	1	51.2 Å²	51.2	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	120.1	174.5	179.7	59.3	0	0	0	108.8	L292 L297 I310 M311 L317 E319 L320 R321	L292-L295 HydrophobicContact CD2-CB 3.89Å; L292-L295 HydrophobicContact CD2-CD1 3.98Å; L292-L295 HydrophobicContact CD2-CG 4.34Å; L295-L297 HydrophobicContact CD1-CD1 4.35Å; L295-L297 HydrophobicContact CD1-CD2 3.87Å; L295-L297 HydrophobicContact CD1-CG 3.92Å; L295-L297 HydrophobicContact CD2-CD1 3.94Å; L295-L297 HydrophobicContact CD2-CG 4.31Å; L295-L297 HydrophobicContact CG-CD1 4.14Å; L295-L297 HydrophobicContact CG-CD2 4.45Å; L295-L297 HydrophobicContact CG-CG 3.95Å; L295-I310 HydrophobicContact CD2-CG2 3.8Å; L295-M311 HydrophobicContact CD2-CE 4.2Å; L295-L317 HydrophobicContact CB-CD1 3.58Å; L295-L317 HydrophobicContact CB-CD2 4.31Å; L295-E319 PolarHBondContact N-O 3.13Å; L295-L320 HydrophobicContact CB-CD1 4.19Å; L295-L320 HydrophobicContact CD2-CD1 4.01Å; L295-L320 HydrophobicContact CG-CD1 4.12Å; L295-L320 WeakPolarHBondContact O-CA 3.39Å; L295-R321 PolarHBondContact O-N 3.05Å
296	T	74.8	Confident	67	Low	18 Å²	18	49.9 Å²	49.9	11%	0.11	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	117.2	172.8	-65.8	0	0	0	0	109	L271 T272 I273 M298 R321	L271-T296 PolarHBondContact O-N 3.49Å; T272-T296 HydrophobicContact CG2-CG2 4.05Å; I273-T296 PolarHBondContact N-O 2.95Å; I273-T296 VanDerWaalsContact O-O 3.07Å; T296-M298 HydrophobicContact CG2-CG 3.64Å; T296-M298 HydrophobicContact CG2-SD 4.34Å; T296-R321 CarbonylContact C-O 3.6Å; T296-R321 WeakPolarHBondContact CA-O 3.41Å; T296-R321 HydrophobicContact CG2-CB 4.03Å
297	L	71.5	Confident	68	Low	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	99.8	178.7	-62.4	174.6	0	0	0	107.8	I273 L295 W300 M311 R321 F322 K323	I273-L297 HydrophobicContact CB-CD2 3.92Å; I273-L297 HydrophobicContact CD1-CD2 3.93Å; I273-L297 HydrophobicContact CG1-CD2 4.33Å; I273-L297 WeakPolarHBondContact O-CA 3.42Å; L295-L297 HydrophobicContact CD1-CD1 4.35Å; L295-L297 HydrophobicContact CD1-CD2 3.87Å; L295-L297 HydrophobicContact CD1-CG 3.92Å; L295-L297 HydrophobicContact CD2-CD1 3.94Å; L295-L297 HydrophobicContact CD2-CG 4.31Å; L295-L297 HydrophobicContact CG-CD1 4.14Å; L295-L297 HydrophobicContact CG-CD2 4.45Å; L295-L297 HydrophobicContact CG-CG 3.95Å; L297-W300 HydrophobicContact CB-CB 4.39Å; L297-W300 HydrophobicContact CB-CE3 4.32Å; L297-W300 HydrophobicContact CD1-CD2 4.49Å; L297-W300 HydrophobicContact CD1-CE3 3.65Å; L297-W300 HydrophobicContact CD1-CZ3 3.71Å; L297-W300 HydrophobicContact CD2-CD2 4.19Å; L297-W300 HydrophobicContact CD2-CE3 4.16Å; L297-W300 HydrophobicContact CG-CE3 4.25Å; L297-M311 HydrophobicContact CD1-CE 4.13Å; L297-R321 PolarHBondContact N-O 3.14Å; L297-F322 HydrophobicContact CB-CD2 3.88Å; L297-F322 HydrophobicContact CB-CE2 4.39Å; L297-F322 HydrophobicContact CD1-CD2 3.76Å; L297-F322 HydrophobicContact CD1-CE2 3.91Å; L297-F322 HydrophobicContact CG-CD2 4.41Å; L297-F322 CarbonylContact O-C 3.59Å; L297-F322 WeakPolarHBondContact O-CA 3.2Å; L297-K323 PolarHBondContact O-N 3.23Å
298	M	67.6	Low	69.2	Low	28 Å²	28	43.6 Å²	43.6	14%	0.138	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	127.8	-176.4	-62.7	-60.6	-69.9	0	0	111.9	I273 Q275 T296 W300 K323 Y358	I273-M298 PolarHBondContact O-N 3.14Å; Q275-M298 PolarHBondContact N-O 2.68Å; T296-M298 HydrophobicContact CG2-CG 3.64Å; T296-M298 HydrophobicContact CG2-SD 4.34Å; M298-W300 PolarHBondContact O-N 2.86Å; M298-K323 HydrophobicContact CE-CB 3.86Å; M298-K323 HydrophobicContact CE-CD 3.83Å; M298-K323 HydrophobicContact SD-CB 3.84Å; M298-Y358 HydrophobicContact CE-CD2 4.06Å; M298-Y358 HydrophobicContact CE-CE2 4.05Å; M298-Y358 HydrophobicContact SD-CD2 4.14Å; M298-Y358 HydrophobicContact SD-CE2 4.09Å
299	N	63.4	Low	70	Confident	27 Å²	27	36.4 Å²	36.4	14%	0.144	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54	36.6	-177.4	-67.1	-12.3	0	0	0	112.3	Q275 K323	Q275-N299 HydrophobicContact CB-CB 3.6Å; Q275-N299 VanDerWaalsContact CB-O 3.26Å; Q275-N299 WeakPolarHBondContact CB-O 3.07Å; Q275-N299 HydrophobicContact CG-CB 4.07Å; Q275-N299 VanDerWaalsContact CG-O 3.27Å; Q275-N299 WeakPolarHBondContact CG-O 3.32Å; Q275-N299 PolarHBondContact OE1-ND2 3.32Å; Q275-N299 VanDerWaalsContact OE1-ND2 3.1Å; N299-K323 WeakPolarHBondContact CA-O 3.38Å; N299-K323 PolarHBondContact N-O 3.22Å; N299-K323 WeakPolarHBondContact OD1-CD 3.38Å; N299-K323 WeakPolarHBondContact OD1-CE 2.98Å; N299-K323 PolarHBondContact OD1-NZ 2.88Å
300	W	58.8	Low	70.6	Confident	6 Å²	6	35.9 Å²	35.9	2%	0.023	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	127.1	-170.5	-169	39.8	0	0	0	111.5	L297 M298 A302 V307 I310 F322 K323 G325	L297-W300 HydrophobicContact CB-CB 4.39Å; L297-W300 HydrophobicContact CB-CE3 4.32Å; L297-W300 HydrophobicContact CD1-CD2 4.49Å; L297-W300 HydrophobicContact CD1-CE3 3.65Å; L297-W300 HydrophobicContact CD1-CZ3 3.71Å; L297-W300 HydrophobicContact CD2-CD2 4.19Å; L297-W300 HydrophobicContact CD2-CE3 4.16Å; L297-W300 HydrophobicContact CG-CE3 4.25Å; M298-W300 PolarHBondContact O-N 2.86Å; W300-A302 HydrophobicContact CD2-CB 3.6Å; W300-A302 VanDerWaalsContact CE2-CB 3.43Å; W300-A302 HydrophobicContact CE3-CB 3.75Å; W300-A302 HydrophobicContact CG-CB 4.32Å; W300-A302 HydrophobicContact CH2-CB 3.53Å; W300-A302 HydrophobicContact CZ2-CB 3.41Å; W300-A302 VanDerWaalsContact CZ2-CB 3.41Å; W300-A302 HydrophobicContact CZ3-CB 3.74Å; W300-A302 PolarHBondContact O-N 3.46Å; W300-V307 HydrophobicContact CE3-CG2 4.15Å; W300-V307 HydrophobicContact CH2-CG2 4.39Å; W300-V307 HydrophobicContact CZ3-CB 4.26Å; W300-V307 HydrophobicContact CZ3-CG2 3.62Å; W300-I310 HydrophobicContact CH2-CD1 3.25Å; W300-I310 HydrophobicContact CH2-CG1 4.21Å; W300-I310 HydrophobicContact CZ2-CD1 3.75Å; W300-I310 HydrophobicContact CZ3-CD1 4.06Å; W300-F322 HydrophobicContact CE3-CE2 4.21Å; W300-K323 PolarHBondContact N-O 3.13Å; W300-K323 VanDerWaalsContact N-O 3.16Å; W300-G325 PolarHBondContact O-N 3.11Å
301	N	60.4	Low	71.2	Confident	55 Å²	55	33.5 Å²	33.5	29%	0.294	18%	0.179	S	C	.	.			trans	-99.1	70.2	179.2	-169.4	16.6	0	0	0	111.1	N280	N280-N301 WeakPolarHBondContact CA-O 3.4Å; N280-N301 WeakPolarHBondContact CB-O 3.48Å
302	A	61	Low	72	Confident	4 Å²	4	32.8 Å²	32.8	3%	0.033	17%	0.172	C	C	.	.			trans	-112.2	158.1	179.2	0	0	0	0	0	111.9	N280 W300 V307 R327	N280-A302 WeakPolarHBondContact O-CB 3.34Å; W300-A302 HydrophobicContact CD2-CB 3.6Å; W300-A302 VanDerWaalsContact CE2-CB 3.43Å; W300-A302 HydrophobicContact CE3-CB 3.75Å; W300-A302 HydrophobicContact CG-CB 4.32Å; W300-A302 HydrophobicContact CH2-CB 3.53Å; W300-A302 HydrophobicContact CZ2-CB 3.41Å; W300-A302 VanDerWaalsContact CZ2-CB 3.41Å; W300-A302 HydrophobicContact CZ3-CB 3.74Å; W300-A302 PolarHBondContact O-N 3.46Å; A302-V307 HydrophobicContact CB-CG2 4.32Å; A302-R327 PolarHBondContact O-NH2 2.88Å
303	S	66.9	Low	72.3	Confident	44 Å²	44	34.8 Å²	34.8	31%	0.308	18%	0.181	S	C	.	.			trans	-72.7	155.5	167.8	62	0	0	0	0	110.8	S305 S306 V307	S303-S305 PolarHBondContact O-N 3.2Å; S303-S305 PolarHBondContact OG-OG 2.88Å; S303-S306 WeakPolarHBondContact O-CA 3.44Å; S303-S306 VanDerWaalsContact O-CB 3.32Å; S303-S306 WeakPolarHBondContact O-CB 3.47Å; S303-S306 PolarHBondContact O-N 2.99Å; S303-S306 PolarHBondContact OG-N 3.43Å; S303-S306 PolarHBondContact OG-OG 2.76Å; S303-V307 PolarHBondContact O-N 2.66Å
304	D	70.2	Confident	72.4	Confident	38 Å²	38	29.3 Å²	29.3	20%	0.203	16%	0.157	C	C	.	.	H	α-helix	trans	-56	-38.8	176.4	-71.7	41.7	0	0	0	112.3	S306 V307 K308 R327 Y335 L341	D304-S306 VanDerWaalsContact C-N 3.3Å; D304-S306 PolarHBondContact O-N 2.61Å; D304-V307 PolarHBondContact O-N 2.81Å; D304-K308 VanDerWaalsContact O-CB 3.28Å; D304-K308 WeakPolarHBondContact O-CB 3.35Å; D304-K308 PolarHBondContact O-N 3.41Å; D304-R327 IonicContact OD1-NH2 3.88Å; D304-R327 PolarHBondContact OD1-NH2 2.89Å; D304-Y335 WeakPolarHBondContact OD1-CE1 3.35Å; D304-Y335 WeakPolarHBondContact OD2-CE1 3.19Å; D304-Y335 VanDerWaalsContact OD2-CZ 3.28Å; D304-Y335 PolarHBondContact OD2-OH 3.38Å; D304-L341 HydrophobicContact CB-CD1 4.02Å; D304-L341 HydrophobicContact CB-CD2 3.85Å; D304-L341 WeakPolarHBondContact O-CD2 3.35Å
305	S	69.7	Low	72.7	Confident	80 Å²	80	30.1 Å²	30.1	56%	0.559	16%	0.16	S	C	*	.	H	α-helix	trans	-59.5	-38.5	173.1	51.2	0	0	0	0	112.9	S303 H309	S303-S305 PolarHBondContact O-N 3.2Å; S303-S305 PolarHBondContact OG-OG 2.88Å; S305-H309 WeakPolarHBondContact O-CB 3.43Å; S305-H309 PolarHBondContact O-N 3.07Å
306	S	67.7	Low	72.9	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-71	-44.3	177.2	-59.3	0	0	0	0	111.6	L282 L285 S303 D304 H309 I310	L282-S306 WeakPolarHBondContact CD2-OG 3.39Å; L285-S306 WeakPolarHBondContact CD2-O 3.46Å; S303-S306 WeakPolarHBondContact O-CA 3.44Å; S303-S306 VanDerWaalsContact O-CB 3.32Å; S303-S306 WeakPolarHBondContact O-CB 3.47Å; S303-S306 PolarHBondContact O-N 2.99Å; S303-S306 PolarHBondContact OG-N 3.43Å; S303-S306 PolarHBondContact OG-OG 2.76Å; D304-S306 VanDerWaalsContact C-N 3.3Å; D304-S306 PolarHBondContact O-N 2.61Å; S306-H309 PolarHBondContact O-N 2.74Å; S306-I310 WeakPolarHBondContact O-CG1 3.29Å; S306-I310 PolarHBondContact O-N 3.07Å
307	V	73.1	Confident	73.5	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.5	-49.7	176.2	-177.3	0	0	0	0	109.6	W300 A302 S303 D304 H309 I310 M311 F322 L341	W300-V307 HydrophobicContact CE3-CG2 4.15Å; W300-V307 HydrophobicContact CH2-CG2 4.39Å; W300-V307 HydrophobicContact CZ3-CB 4.26Å; W300-V307 HydrophobicContact CZ3-CG2 3.62Å; A302-V307 HydrophobicContact CB-CG2 4.32Å; S303-V307 PolarHBondContact O-N 2.66Å; D304-V307 PolarHBondContact O-N 2.81Å; V307-H309 PolarHBondContact O-N 3.27Å; V307-I310 PolarHBondContact O-N 3.01Å; V307-M311 HydrophobicContact CG1-CE 4.19Å; V307-M311 HydrophobicContact CG1-CG 4.3Å; V307-M311 VanDerWaalsContact O-CG 3.3Å; V307-M311 WeakPolarHBondContact O-CG 3.2Å; V307-M311 PolarHBondContact O-N 3.29Å; V307-F322 HydrophobicContact CG1-CE2 3.97Å; V307-F322 HydrophobicContact CG1-CZ 3.85Å; V307-F322 HydrophobicContact CG2-CE2 4.46Å; V307-F322 HydrophobicContact CG2-CZ 4.24Å; V307-L341 HydrophobicContact CB-CB 4.38Å; V307-L341 HydrophobicContact CB-CD1 4.09Å; V307-L341 HydrophobicContact CG1-CB 3.83Å; V307-L341 HydrophobicContact CG1-CD1 4.21Å; V307-L341 HydrophobicContact CG2-CD1 4.33Å
308	K	77.8	Confident	74.4	Confident	71 Å²	71	36.2 Å²	36.2	31%	0.309	19%	0.186	S	C	.	.	H	α-helix	trans	-50.6	-53.8	175.7	167.7	176.5	177.4	164.7	0	111.7	D304 I310 M311 E312 L341 Y345	D304-K308 VanDerWaalsContact O-CB 3.28Å; D304-K308 WeakPolarHBondContact O-CB 3.35Å; D304-K308 PolarHBondContact O-N 3.41Å; K308-I310 VanDerWaalsContact C-N 3.33Å; K308-I310 PolarHBondContact O-N 2.92Å; K308-M311 PolarHBondContact O-N 3.46Å; K308-M311 VanDerWaalsContact O-N 3.14Å; K308-E312 WeakPolarHBondContact CE-OE1 3.37Å; K308-E312 IonicContact NZ-OE1 2.78Å; K308-E312 WeakPolarHBondContact O-CG 3.28Å; K308-E312 PolarHBondContact O-N 3.49Å; K308-L341 HydrophobicContact CB-CD2 4.45Å; K308-Y345 HydrophobicContact CB-CD2 4.26Å; K308-Y345 HydrophobicContact CB-CE2 4.39Å; K308-Y345 HydrophobicContact CB-CG 4.36Å; K308-Y345 HydrophobicContact CD-CD1 3.92Å; K308-Y345 HydrophobicContact CD-CD2 4.47Å; K308-Y345 HydrophobicContact CD-CE1 3.48Å; K308-Y345 VanDerWaalsContact CD-CE1 3.48Å; K308-Y345 HydrophobicContact CD-CE2 4.06Å; K308-Y345 HydrophobicContact CD-CG 4.38Å; K308-Y345 HydrophobicContact CG-CD1 3.65Å; K308-Y345 HydrophobicContact CG-CD2 4.05Å; K308-Y345 HydrophobicContact CG-CE1 3.78Å; K308-Y345 HydrophobicContact CG-CE2 4.13Å; K308-Y345 HydrophobicContact CG-CG 3.78Å; K308-Y345 VanDerWaalsContact NZ-CE1 3.33Å; K308-Y345 PolarHBondContact NZ-OH 3.14Å
309	H	75.7	Confident	75.4	Confident	67 Å²	67	36.8 Å²	36.8	31%	0.31	19%	0.188	S	C	.	.	H	α-helix	trans	-66.5	-32	-176	-177.7	100.5	0	0	0	113.1	L285 S305 S306 V307 K313	L285-H309 HydrophobicContact CD2-CB 4.04Å; L285-H309 VanDerWaalsContact CD2-CD2 3.48Å; L285-H309 WeakPolarHBondContact CD2-CD2 3.44Å; L285-H309 PolarHBondContact O-NE2 2.66Å; S305-H309 WeakPolarHBondContact O-CB 3.43Å; S305-H309 PolarHBondContact O-N 3.07Å; S306-H309 PolarHBondContact O-N 2.74Å; V307-H309 PolarHBondContact O-N 3.27Å; H309-K313 VanDerWaalsContact NE2-CE 3.26Å; H309-K313 WeakPolarHBondContact NE2-CE 3.3Å; H309-K313 PolarHBondContact NE2-NZ 2.81Å; H309-K313 WeakPolarHBondContact O-CG 3.48Å
310	I	77.9	Confident	76.6	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-66	-48	170.3	-68.1	-171.1	0	0	0	110.4	L285 L289 L295 W300 S306 V307 K308 E312 K313 C314	L285-I310 HydrophobicContact CD2-CD1 4.2Å; L285-I310 HydrophobicContact CD2-CG1 3.5Å; L289-I310 HydrophobicContact CD1-CG2 3.94Å; L295-I310 HydrophobicContact CD2-CG2 3.8Å; W300-I310 HydrophobicContact CH2-CD1 3.25Å; W300-I310 HydrophobicContact CH2-CG1 4.21Å; W300-I310 HydrophobicContact CZ2-CD1 3.75Å; W300-I310 HydrophobicContact CZ3-CD1 4.06Å; S306-I310 WeakPolarHBondContact O-CG1 3.29Å; S306-I310 PolarHBondContact O-N 3.07Å; V307-I310 PolarHBondContact O-N 3.01Å; K308-I310 VanDerWaalsContact C-N 3.33Å; K308-I310 PolarHBondContact O-N 2.92Å; I310-E312 VanDerWaalsContact C-N 3.33Å; I310-E312 PolarHBondContact O-N 2.92Å; I310-K313 PolarHBondContact O-N 2.78Å; I310-C314 PolarHBondContact O-N 2.85Å; I310-C314 PolarHBondContact O-SG 2.86Å
311	M	83.5	Confident	77.9	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61	-41.5	-177.2	-65.9	-60.2	154.8	0	0	111.9	L295 L297 V307 K308 K313 C314 L320 F322 L341 I342 Y345 P347	L295-M311 HydrophobicContact CD2-CE 4.2Å; L297-M311 HydrophobicContact CD1-CE 4.13Å; V307-M311 HydrophobicContact CG1-CE 4.19Å; V307-M311 HydrophobicContact CG1-CG 4.3Å; V307-M311 VanDerWaalsContact O-CG 3.3Å; V307-M311 WeakPolarHBondContact O-CG 3.2Å; V307-M311 PolarHBondContact O-N 3.29Å; K308-M311 PolarHBondContact O-N 3.46Å; K308-M311 VanDerWaalsContact O-N 3.14Å; M311-K313 PolarHBondContact O-N 3.33Å; M311-C314 PolarHBondContact O-N 3.1Å; M311-L320 HydrophobicContact CE-CD1 4.01Å; M311-L320 HydrophobicContact CE-CD2 4.24Å; M311-L320 HydrophobicContact SD-CD2 4.15Å; M311-F322 HydrophobicContact CE-CD2 4.37Å; M311-F322 HydrophobicContact CE-CE2 4.49Å; M311-L341 WeakPolarHBondContact CG-O 3.47Å; M311-I342 HydrophobicContact CE-CG1 4.39Å; M311-Y345 CarbonylContact C-O 3.49Å; M311-P347 WeakPolarHBondContact O-CD 3.35Å
312	E	83.5	Confident	78.8	Confident	88 Å²	88	37.7 Å²	37.7	41%	0.411	19%	0.185	S	C	.	.	H	α-helix	trans	-59.5	-26.4	176	-73.5	176.6	169.7	0	0	113	K308 I310 Y345	K308-E312 WeakPolarHBondContact CE-OE1 3.37Å; K308-E312 IonicContact NZ-OE1 2.78Å; K308-E312 WeakPolarHBondContact O-CG 3.28Å; K308-E312 PolarHBondContact O-N 3.49Å; I310-E312 VanDerWaalsContact C-N 3.33Å; I310-E312 PolarHBondContact O-N 2.92Å; E312-Y345 WeakPolarHBondContact CA-O 3.44Å; E312-Y345 HydrophobicContact CG-CD1 4.21Å; E312-Y345 PolarHBondContact N-O 3.39Å; E312-Y345 WeakPolarHBondContact OE1-CD1 3.28Å
313	K	78.3	Confident	79.5	Confident	51 Å²	51	37.9 Å²	37.9	22%	0.222	19%	0.185	C	C	.	.	H	α-helix	trans	-92	-13.3	-178.5	-71.9	-177.6	163.6	-160.3	0	114.4	L285 R287 L289 H309 I310 M311 I315	L285-K313 PolarHBondContact O-NZ 3.22Å; R287-K313 PolarHBondContact O-NZ 2.98Å; L289-K313 CarbonylContact C-O 3.53Å; L289-K313 HydrophobicContact CB-CB 4.02Å; L289-K313 HydrophobicContact CD1-CB 4.2Å; L289-K313 HydrophobicContact CG-CB 4.32Å; H309-K313 VanDerWaalsContact NE2-CE 3.26Å; H309-K313 WeakPolarHBondContact NE2-CE 3.3Å; H309-K313 PolarHBondContact NE2-NZ 2.81Å; H309-K313 WeakPolarHBondContact O-CG 3.48Å; I310-K313 PolarHBondContact O-N 2.78Å; M311-K313 PolarHBondContact O-N 3.33Å; K313-I315 PolarHBondContact O-N 2.88Å
314	C	82.3	Confident	79.4	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.007	17%	0.173	C	C	.	.			trans	-85.5	73.6	-176.6	-72.2	0	0	0	0	111.6	I310 M311 L317 L346	I310-C314 PolarHBondContact O-N 2.85Å; I310-C314 PolarHBondContact O-SG 2.86Å; M311-C314 PolarHBondContact O-N 3.1Å; C314-L317 HydrophobicContact CB-CB 4.13Å; C314-L317 HydrophobicContact CB-CD2 4.15Å; C314-L346 HydrophobicContact CB-CD1 4.33Å
315	I	83.8	Confident	79	Confident	52 Å²	52	34.8 Å²	34.8	27%	0.267	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-41.5	-172.7	-55.6	177.3	0	0	0	112.5	D290 K313 H348	D290-I315 HydrophobicContact CB-CD1 4.13Å; K313-I315 PolarHBondContact O-N 2.88Å; I315-H348 WeakPolarHBondContact O-CB 3.3Å; I315-H348 PolarHBondContact O-CD2 2.97Å
316	F	83.9	Confident	78.4	Confident	90 Å²	90	36.1 Å²	36.1	40%	0.395	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	33.4	-176.9	-63.5	-57.1	0	0	0	114.2	D290 L292 H318	D290-F316 WeakPolarHBondContact O-CD2 3.35Å; D290-F316 PolarHBondContact O-N 2.95Å; L292-F316 CarbonylContact O-C 3.59Å; F316-H318 PolarHBondContact O-CE1 2.92Å; F316-H318 PolarHBondContact O-N 3.29Å; F316-H318 PolarHBondContact O-ND1 2.77Å
317	L	87.2	Confident	77.8	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.005	18%	0.175	C	C	.	.			trans	-70.8	123.1	-174.5	-160.7	66.9	0	0	0	112.4	L292 L295 C314 L320 L346 H351 L352	L292-L317 HydrophobicContact CD2-CD1 4.44Å; L292-L317 HydrophobicContact CG-CD1 4.37Å; L292-L317 WeakPolarHBondContact O-CA 3.43Å; L292-L317 PolarHBondContact O-N 3Å; L295-L317 HydrophobicContact CB-CD1 3.58Å; L295-L317 HydrophobicContact CB-CD2 4.31Å; C314-L317 HydrophobicContact CB-CB 4.13Å; C314-L317 HydrophobicContact CB-CD2 4.15Å; L317-L320 HydrophobicContact CD2-CB 3.88Å; L317-L320 HydrophobicContact CD2-CD1 4.21Å; L317-L320 HydrophobicContact CD2-CD2 4.47Å; L317-L320 HydrophobicContact CD2-CG 4.4Å; L317-L346 HydrophobicContact CB-CD1 4.46Å; L317-L346 HydrophobicContact CD2-CD1 4.03Å; L317-H351 CarbonylContact O-C 3.54Å; L317-H351 WeakPolarHBondContact O-CB 3.33Å; L317-L352 HydrophobicContact CB-CD2 4.37Å; L317-L352 HydrophobicContact CD2-CD2 4.2Å; L317-L352 HydrophobicContact CG-CD2 4.1Å; L317-L352 PolarHBondContact O-N 2.84Å
318	H	89.1	Confident	76.4	Confident	56 Å²	56	43.6 Å²	43.6	26%	0.259	20%	0.199	S	C	.	.			trans	-104.6	-31.5	177.6	-69.5	65.7	0	0	0	112.6	K293 F316 R353 V354	K293-H318 WeakPolarHBondContact O-CA 3.28Å; K293-H318 WeakPolarHBondContact O-CB 3.43Å; K293-H318 PolarHBondContact O-N 3.15Å; F316-H318 PolarHBondContact O-CE1 2.92Å; F316-H318 PolarHBondContact O-N 3.29Å; F316-H318 PolarHBondContact O-ND1 2.77Å; H318-R353 PolarHBondContact O-N 2.99Å; H318-V354 PolarHBondContact O-N 2.93Å; H318-V354 VanDerWaalsContact O-N 3.14Å
319	E	89.8	Confident	74.5	Confident	40 Å²	40	45.9 Å²	45.9	19%	0.187	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	122.6	-180	175.1	169.2	-174.8	0	0	110.1	K293 T294 L295 R321 V354	K293-E319 PolarHBondContact O-N 3.07Å; T294-E319 WeakPolarHBondContact CA-O 3.36Å; T294-E319 HydrophobicContact CG2-CB 4Å; T294-E319 HydrophobicContact CG2-CG 3.94Å; L295-E319 PolarHBondContact N-O 3.13Å; E319-R321 HydrophobicContact CG-CG 4.37Å; E319-R321 IonicContact OE1-CZ 2.83Å; E319-R321 IonicContact OE1-NE 2.65Å; E319-R321 PolarHBondContact OE1-NE 3.11Å; E319-R321 IonicContact OE1-NH2 2.85Å; E319-R321 PolarHBondContact OE1-NH2 2.9Å; E319-V354 WeakPolarHBondContact CA-O 3.5Å; E319-V354 HydrophobicContact CB-CB 4.11Å; E319-V354 HydrophobicContact CG-CB 3.85Å; E319-V354 HydrophobicContact CG-CG1 3.96Å
320	L	88.9	Confident	73.2	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	121.9	172.3	178.4	58.1	0	0	0	109.4	L295 M311 L317 F322 I342 L352 V354 L355 A356	L295-L320 HydrophobicContact CB-CD1 4.19Å; L295-L320 HydrophobicContact CD2-CD1 4.01Å; L295-L320 HydrophobicContact CG-CD1 4.12Å; L295-L320 WeakPolarHBondContact O-CA 3.39Å; M311-L320 HydrophobicContact CE-CD1 4.01Å; M311-L320 HydrophobicContact CE-CD2 4.24Å; M311-L320 HydrophobicContact SD-CD2 4.15Å; L317-L320 HydrophobicContact CD2-CB 3.88Å; L317-L320 HydrophobicContact CD2-CD1 4.21Å; L317-L320 HydrophobicContact CD2-CD2 4.47Å; L317-L320 HydrophobicContact CD2-CG 4.4Å; L320-F322 HydrophobicContact CD1-CB 4.35Å; L320-F322 HydrophobicContact CG-CB 4.38Å; L320-I342 HydrophobicContact CD2-CD1 4.17Å; L320-I342 HydrophobicContact CD2-CG1 4.37Å; L320-I342 HydrophobicContact CD2-CG2 3.76Å; L320-L352 HydrophobicContact CB-CD2 4.09Å; L320-V354 PolarHBondContact N-O 3.32Å; L320-L355 HydrophobicContact CB-CD1 3.97Å; L320-L355 HydrophobicContact CD2-CD1 3.91Å; L320-L355 HydrophobicContact CG-CD1 4.09Å; L320-L355 CarbonylContact O-C 3.46Å; L320-L355 WeakPolarHBondContact O-CA 3.43Å; L320-A356 PolarHBondContact O-N 2.96Å
321	R	84.5	Confident	71.7	Confident	99 Å²	99	53.1 Å²	53.1	37%	0.374	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	122	166.3	-55.2	-172.2	-177.9	-145.4	-1.2	108.4	L295 T296 L297 E319 A356	L295-R321 PolarHBondContact O-N 3.05Å; T296-R321 CarbonylContact C-O 3.6Å; T296-R321 WeakPolarHBondContact CA-O 3.41Å; T296-R321 HydrophobicContact CG2-CB 4.03Å; L297-R321 PolarHBondContact N-O 3.14Å; E319-R321 HydrophobicContact CG-CG 4.37Å; E319-R321 IonicContact OE1-CZ 2.83Å; E319-R321 IonicContact OE1-NE 2.65Å; E319-R321 PolarHBondContact OE1-NE 3.11Å; E319-R321 IonicContact OE1-NH2 2.85Å; E319-R321 PolarHBondContact OE1-NH2 2.9Å; R321-A356 CarbonylContact C-O 3.59Å; R321-A356 WeakPolarHBondContact CA-O 3.19Å; R321-A356 HydrophobicContact CB-CB 4.28Å; R321-A356 HydrophobicContact CG-CB 4.03Å
322	F	80.1	Confident	70.3	Confident	8 Å²	8	58.8 Å²	58.8	4%	0.035	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	116.7	-171.2	-172.9	-104.6	0	0	0	110.5	L297 W300 V307 M311 L320 L324 I342 A356 L357 Y358	L297-F322 HydrophobicContact CB-CD2 3.88Å; L297-F322 HydrophobicContact CB-CE2 4.39Å; L297-F322 HydrophobicContact CD1-CD2 3.76Å; L297-F322 HydrophobicContact CD1-CE2 3.91Å; L297-F322 HydrophobicContact CG-CD2 4.41Å; L297-F322 CarbonylContact O-C 3.59Å; L297-F322 WeakPolarHBondContact O-CA 3.2Å; W300-F322 HydrophobicContact CE3-CE2 4.21Å; V307-F322 HydrophobicContact CG1-CE2 3.97Å; V307-F322 HydrophobicContact CG1-CZ 3.85Å; V307-F322 HydrophobicContact CG2-CE2 4.46Å; V307-F322 HydrophobicContact CG2-CZ 4.24Å; M311-F322 HydrophobicContact CE-CD2 4.37Å; M311-F322 HydrophobicContact CE-CE2 4.49Å; L320-F322 HydrophobicContact CD1-CB 4.35Å; L320-F322 HydrophobicContact CG-CB 4.38Å; F322-L324 HydrophobicContact CD1-CD1 4.3Å; F322-L324 HydrophobicContact CD1-CG 4.33Å; F322-L324 HydrophobicContact CE1-CD1 3.38Å; F322-L324 HydrophobicContact CE1-CD2 4.18Å; F322-L324 HydrophobicContact CE1-CG 3.4Å; F322-L324 HydrophobicContact CZ-CD1 4Å; F322-L324 HydrophobicContact CZ-CD2 3.92Å; F322-L324 HydrophobicContact CZ-CG 3.6Å; F322-I342 HydrophobicContact CB-CD1 4.06Å; F322-I342 HydrophobicContact CD1-CD1 3.51Å; F322-I342 HydrophobicContact CE1-CD1 3.95Å; F322-I342 HydrophobicContact CG-CD1 3.81Å; F322-A356 PolarHBondContact N-O 3.2Å; F322-L357 HydrophobicContact CB-CD2 4.16Å; F322-Y358 PolarHBondContact O-N 2.86Å
323	K	74.9	Confident	68.4	Low	7 Å²	7	62.2 Å²	62.2	3%	0.03	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	112.1	170.7	-174.8	171.1	180	-157.6	0	108.7	L297 M298 N299 W300 Y358 N359	L297-K323 PolarHBondContact O-N 3.23Å; M298-K323 HydrophobicContact CE-CB 3.86Å; M298-K323 HydrophobicContact CE-CD 3.83Å; M298-K323 HydrophobicContact SD-CB 3.84Å; N299-K323 WeakPolarHBondContact CA-O 3.38Å; N299-K323 PolarHBondContact N-O 3.22Å; N299-K323 WeakPolarHBondContact OD1-CD 3.38Å; N299-K323 WeakPolarHBondContact OD1-CE 2.98Å; N299-K323 PolarHBondContact OD1-NZ 2.88Å; W300-K323 PolarHBondContact N-O 3.13Å; W300-K323 VanDerWaalsContact N-O 3.16Å; K323-Y358 HydrophobicContact CB-CD2 4.04Å; K323-Y358 HydrophobicContact CB-CG 4.21Å; K323-Y358 HydrophobicContact CD-CG 4.47Å; K323-Y358 HydrophobicContact CG-CG 4.48Å; K323-N359 WeakPolarHBondContact CE-ND2 3.47Å
324	L	65.8	Low	67.1	Low	10 Å²	10	61.4 Å²	61.4	5%	0.052	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	135.3	172.3	-82.9	143.3	0	0	0	110.4	F322 G337	F322-L324 HydrophobicContact CD1-CD1 4.3Å; F322-L324 HydrophobicContact CD1-CG 4.33Å; F322-L324 HydrophobicContact CE1-CD1 3.38Å; F322-L324 HydrophobicContact CE1-CD2 4.18Å; F322-L324 HydrophobicContact CE1-CG 3.4Å; F322-L324 HydrophobicContact CZ-CD1 4Å; F322-L324 HydrophobicContact CZ-CD2 3.92Å; F322-L324 HydrophobicContact CZ-CG 3.6Å; L324-G337 VanDerWaalsContact CD1-O 3.32Å; L324-G337 WeakPolarHBondContact CD1-O 3.47Å
325	G	61.6	Low	65.8	Low	8 Å²	8	65.8 Å²	65.8	8%	0.082	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-74.1	153.4	167.9	0	0	0	0	0	111.9	W300	W300-G325 PolarHBondContact O-N 3.11Å
326	Y	56.4	Low	64.7	Low	108 Å²	108	64.2 Å²	64.2	42%	0.424	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-75	142.5	173.3	171.5	-97.9	0	0	0	111.4
327	R	55.6	Low	63.7	Low	79 Å²	79	60 Å²	60	30%	0.298	32%	0.322	S	S	.	.			trans	-106.3	128.1	176	-67.4	-172.2	-173.5	153.2	10	111.4	A302 D304	A302-R327 PolarHBondContact O-NH2 2.88Å; D304-R327 IonicContact OD1-NH2 3.88Å; D304-R327 PolarHBondContact OD1-NH2 2.89Å
328	P	43.6	Very low	63.1	Low	78 Å²	78	60.6 Å²	60.6	51%	0.506	33%	0.326	S	S	.	.			trans	-71.6	173.3	-179.2	-18.1	32	0	0	0	116.8	D330	P328-D330 PolarHBondContact O-N 2.96Å
329	P	37.7	Very low	62.6	Low	119 Å²	119	58.2 Å²	58.2	77%	0.773	32%	0.315	S	S	*	.	S	Bend	trans	-91.9	26.9	-158.3	37.4	-35.6	0	0	0	117.2	G331	P329-G331 PolarHBondContact O-N 3.01Å
330	D	49.1	Very low	62.3	Low	162 Å²	162	58.2 Å²	58.2	87%	0.866	32%	0.318	S	S	*	.	S	Bend	trans	-77	11.1	158.6	45.6	-27.2	0	0	0	113.3	P328	P328-D330 PolarHBondContact O-N 2.96Å
331	G	46.3	Very low	61.8	Low	58 Å²	58	58.7 Å²	58.7	60%	0.598	32%	0.321	S	S	*	.	S	Bend	trans	103.4	142.5	140	0	0	0	0	0	115.1	P329	P329-G331 PolarHBondContact O-N 3.01Å
332	S	53.2	Low	61.7	Low	120 Å²	120	54.1 Å²	54.1	84%	0.839	30%	0.304	S	S	*	.	S	Bend	cis	-138.6	-5.7	34.5	24.6	0	0	0	0	116.2
333	E	45.1	Very low	62	Low	160 Å²	160	53.8 Å²	53.8	75%	0.748	30%	0.302	S	S	*	.			trans	-151.7	150.9	165.4	-72.5	-168.4	163.7	0	0	109.5	Y335	E333-Y335 PolarHBondContact O-N 2.72Å
334	P	50.3	Low	62.6	Low	34 Å²	34	57.9 Å²	57.9	22%	0.221	33%	0.325	C	S	.	.			trans	-54.4	104.4	171.8	24.2	-35.7	0	0	0	109.8	F452 M454 P455	P334-F452 HydrophobicContact CB-CE1 3.96Å; P334-F452 HydrophobicContact CB-CZ 4.22Å; P334-F452 HydrophobicContact CG-CE1 3.8Å; P334-F452 HydrophobicContact CG-CZ 3.84Å; P334-M454 HydrophobicContact CB-CE 3.57Å; P334-M454 HydrophobicContact CG-CE 3.32Å; P334-P455 HydrophobicContact CG-CG 4.21Å
335	Y	54.8	Low	63.6	Low	93 Å²	93	60.8 Å²	60.8	37%	0.365	34%	0.335	S	S	.	.			trans	-98.5	107.4	-176.5	-174.3	-98.9	0	0	0	110.2	D304 E333	D304-Y335 WeakPolarHBondContact OD1-CE1 3.35Å; D304-Y335 WeakPolarHBondContact OD2-CE1 3.19Å; D304-Y335 VanDerWaalsContact OD2-CZ 3.28Å; D304-Y335 PolarHBondContact OD2-OH 3.38Å; E333-Y335 PolarHBondContact O-N 2.72Å
336	F	60.6	Low	64.9	Low	18 Å²	18	60.5 Å²	60.5	8%	0.079	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-86.3	127.5	161.6	-68.2	-95.3	0	0	0	107.1	S338 N359 Q361 M384 M454	F336-S338 PolarHBondContact O-N 2.93Å; F336-N359 HydrophobicContact CD1-CB 4.05Å; F336-N359 WeakPolarHBondContact CD1-O 3.32Å; F336-N359 HydrophobicContact CE1-CB 3.9Å; F336-Q361 PolarHBondContact O-OE1 2.72Å; F336-M384 HydrophobicContact CB-CG 4.28Å; F336-M384 HydrophobicContact CB-SD 3.64Å; F336-M384 HydrophobicContact CD1-CG 3.73Å; F336-M384 HydrophobicContact CD1-SD 4.19Å; F336-M384 HydrophobicContact CD2-CE 4.21Å; F336-M384 HydrophobicContact CD2-CG 3.49Å; F336-M384 VanDerWaalsContact CD2-CG 3.49Å; F336-M384 HydrophobicContact CD2-SD 3.12Å; F336-M384 WeakPolarHBondContact CD2-SD 3.25Å; F336-M384 HydrophobicContact CE1-CG 3.84Å; F336-M384 HydrophobicContact CE2-CE 4.49Å; F336-M384 HydrophobicContact CE2-CG 3.63Å; F336-M384 HydrophobicContact CE2-SD 3.77Å; F336-M384 HydrophobicContact CG-CG 3.53Å; F336-M384 HydrophobicContact CG-SD 3.36Å; F336-M384 WeakPolarHBondContact CG-SD 3.48Å; F336-M384 HydrophobicContact CZ-CG 3.78Å; F336-M384 HydrophobicContact CZ-SD 4.49Å; F336-M454 HydrophobicContact CD2-CE 4.33Å; F336-M454 HydrophobicContact CD2-SD 4.22Å; F336-M454 HydrophobicContact CE2-CE 3.85Å; F336-M454 HydrophobicContact CE2-SD 3.36Å; F336-M454 WeakPolarHBondContact CE2-SD 3.4Å; F336-M454 HydrophobicContact CZ-SD 4.04Å
337	G	62.4	Low	66.4	Low	1 Å²	1	57.9 Å²	57.9	1%	0.01	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-53.5	134.1	177.7	0	0	0	0	0	111.4	L324	L324-G337 VanDerWaalsContact CD1-O 3.32Å; L324-G337 WeakPolarHBondContact CD1-O 3.47Å
338	S	74.4	Confident	68	Low	15 Å²	15	57.3 Å²	57.3	11%	0.105	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-55.3	141.4	175.6	169.3	0	0	0	0	111.1	F336 T340 L341 D363	F336-S338 PolarHBondContact O-N 2.93Å; S338-T340 WeakPolarHBondContact CB-OG1 3.33Å; S338-T340 PolarHBondContact O-N 2.49Å; S338-T340 VanDerWaalsContact OG-CB 3.25Å; S338-T340 WeakPolarHBondContact OG-CB 3.4Å; S338-T340 VanDerWaalsContact OG-CG2 3.26Å; S338-T340 WeakPolarHBondContact OG-CG2 3.43Å; S338-T340 PolarHBondContact OG-N 3.33Å; S338-T340 PolarHBondContact OG-OG1 2.88Å; S338-L341 WeakPolarHBondContact O-CB 3.28Å; S338-L341 VanDerWaalsContact O-CG 3.28Å; S338-L341 WeakPolarHBondContact O-CG 3.45Å; S338-L341 PolarHBondContact O-N 2.68Å; S338-D363 VanDerWaalsContact CA-OD2 3.25Å; S338-D363 WeakPolarHBondContact CA-OD2 3.41Å; S338-D363 VanDerWaalsContact CB-OD2 3.24Å; S338-D363 WeakPolarHBondContact CB-OD2 3.33Å; S338-D363 PolarHBondContact OG-OD1 2.95Å; S338-D363 PolarHBondContact OG-OD2 3.15Å
339	T	79.3	Confident	70.3	Confident	5 Å²	5	53.6 Å²	53.6	3%	0.031	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-12.7	172.5	53.2	0	0	0	0	112.7	L341 I342 T343 M360 Q361 D363 S364 W366	T339-L341 PolarHBondContact O-N 2.91Å; T339-L341 VanDerWaalsContact O-N 3.17Å; T339-I342 PolarHBondContact O-N 3.05Å; T339-T343 PolarHBondContact O-N 3.42Å; T339-T343 PolarHBondContact O-OG1 2.88Å; T339-M360 HydrophobicContact CG2-CB 3.8Å; T339-M360 HydrophobicContact CG2-CE 3.78Å; T339-Q361 WeakPolarHBondContact CG2-O 3.44Å; T339-Q361 PolarHBondContact OG1-O 3.44Å; T339-D363 PolarHBondContact N-OD1 3.2Å; T339-D363 PolarHBondContact OG1-OD1 2.81Å; T339-S364 PolarHBondContact OG1-OG 3.07Å; T339-S364 VanDerWaalsContact OG1-OG 3.08Å; T339-W366 VanDerWaalsContact CB-CZ2 3.48Å; T339-W366 HydrophobicContact CG2-CH2 4.13Å; T339-W366 HydrophobicContact CG2-CZ2 3.73Å; T339-W366 VanDerWaalsContact OG1-CZ2 3.27Å; T339-W366 WeakPolarHBondContact OG1-CZ2 3.13Å
340	T	83	Confident	73	Confident	41 Å²	41	50 Å²	50	25%	0.252	28%	0.278	S	S	.	.	H	α-helix	trans	-58.1	-27.3	170.9	66.9	0	0	0	0	112.2	S338 I342 T343 D344 Y345 S364	S338-T340 WeakPolarHBondContact CB-OG1 3.33Å; S338-T340 PolarHBondContact O-N 2.49Å; S338-T340 VanDerWaalsContact OG-CB 3.25Å; S338-T340 WeakPolarHBondContact OG-CB 3.4Å; S338-T340 VanDerWaalsContact OG-CG2 3.26Å; S338-T340 WeakPolarHBondContact OG-CG2 3.43Å; S338-T340 PolarHBondContact OG-N 3.33Å; S338-T340 PolarHBondContact OG-OG1 2.88Å; T340-I342 PolarHBondContact O-N 3.41Å; T340-T343 WeakPolarHBondContact CA-OG1 3.24Å; T340-T343 PolarHBondContact O-N 2.97Å; T340-D344 WeakPolarHBondContact CB-OD2 3.24Å; T340-D344 VanDerWaalsContact O-CB 3.26Å; T340-D344 WeakPolarHBondContact O-CB 3.48Å; T340-D344 PolarHBondContact O-N 3.06Å; T340-Y345 WeakPolarHBondContact O-CD2 3.4Å; T340-S364 WeakPolarHBondContact CA-OG 3.46Å; T340-S364 WeakPolarHBondContact CG2-OG 3.44Å; T340-S364 PolarHBondContact N-OG 2.76Å
341	L	79.2	Confident	75.1	Confident	9 Å²	9	45.2 Å²	45.2	5%	0.047	25%	0.25	C	C	.	.	H	α-helix	trans	-59	-28.4	174.5	-62.3	175	0	0	0	113.2	D304 V307 K308 M311 S338 T339 Y345	D304-L341 HydrophobicContact CB-CD1 4.02Å; D304-L341 HydrophobicContact CB-CD2 3.85Å; D304-L341 WeakPolarHBondContact O-CD2 3.35Å; V307-L341 HydrophobicContact CB-CB 4.38Å; V307-L341 HydrophobicContact CB-CD1 4.09Å; V307-L341 HydrophobicContact CG1-CB 3.83Å; V307-L341 HydrophobicContact CG1-CD1 4.21Å; V307-L341 HydrophobicContact CG2-CD1 4.33Å; K308-L341 HydrophobicContact CB-CD2 4.45Å; M311-L341 WeakPolarHBondContact CG-O 3.47Å; S338-L341 WeakPolarHBondContact O-CB 3.28Å; S338-L341 VanDerWaalsContact O-CG 3.28Å; S338-L341 WeakPolarHBondContact O-CG 3.45Å; S338-L341 PolarHBondContact O-N 2.68Å; T339-L341 PolarHBondContact O-N 2.91Å; T339-L341 VanDerWaalsContact O-N 3.17Å; L341-Y345 HydrophobicContact CD2-CE2 4.46Å
342	I	82.4	Confident	77.3	Confident	3 Å²	3	42.4 Å²	42.4	2%	0.015	22%	0.221	C	C	.	.	H	α-helix	trans	-97.9	-48.8	175.8	-61.3	172.8	0	0	0	109.7	M311 L320 F322 T339 T340 D344 L346 L357 F369	M311-I342 HydrophobicContact CE-CG1 4.39Å; L320-I342 HydrophobicContact CD2-CD1 4.17Å; L320-I342 HydrophobicContact CD2-CG1 4.37Å; L320-I342 HydrophobicContact CD2-CG2 3.76Å; F322-I342 HydrophobicContact CB-CD1 4.06Å; F322-I342 HydrophobicContact CD1-CD1 3.51Å; F322-I342 HydrophobicContact CE1-CD1 3.95Å; F322-I342 HydrophobicContact CG-CD1 3.81Å; T339-I342 PolarHBondContact O-N 3.05Å; T340-I342 PolarHBondContact O-N 3.41Å; I342-D344 VanDerWaalsContact C-N 3.28Å; I342-D344 PolarHBondContact O-N 3.36Å; I342-L346 WeakPolarHBondContact O-CB 3.37Å; I342-L346 PolarHBondContact O-N 3.35Å; I342-L357 HydrophobicContact CD1-CD2 3.45Å; I342-L357 VanDerWaalsContact CD1-CD2 3.45Å; I342-F369 HydrophobicContact CG2-CZ 4.33Å
343	T	85.5	Confident	79.4	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.006	20%	0.204	C	C	.	.	H	α-helix	trans	-67.2	-30.6	-170.8	62.4	0	0	0	0	113	T339 T340 S364 W366 F369 R372	T339-T343 PolarHBondContact O-N 3.42Å; T339-T343 PolarHBondContact O-OG1 2.88Å; T340-T343 WeakPolarHBondContact CA-OG1 3.24Å; T340-T343 PolarHBondContact O-N 2.97Å; T343-S364 VanDerWaalsContact OG1-CB 3.31Å; T343-S364 WeakPolarHBondContact OG1-CB 3.43Å; T343-S364 PolarHBondContact OG1-OG 3.25Å; T343-W366 HydrophobicContact CG2-CE3 4.23Å; T343-W366 HydrophobicContact CG2-CH2 3.98Å; T343-W366 HydrophobicContact CG2-CZ2 4.47Å; T343-W366 HydrophobicContact CG2-CZ3 3.87Å; T343-F369 HydrophobicContact CG2-CB 3.92Å; T343-F369 HydrophobicContact CG2-CD1 3.92Å; T343-F369 HydrophobicContact CG2-CD2 3.94Å; T343-F369 HydrophobicContact CG2-CE1 4.41Å; T343-F369 HydrophobicContact CG2-CE2 4.43Å; T343-F369 HydrophobicContact CG2-CG 3.65Å; T343-R372 PolarHBondContact O-NH2 3.4Å
344	D	87.8	Confident	81.7	Confident	93 Å²	93	36 Å²	36	50%	0.497	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-24.2	-170.5	-59.2	0.3	0	0	0	112.2	T340 I342	T340-D344 WeakPolarHBondContact CB-OD2 3.24Å; T340-D344 VanDerWaalsContact O-CB 3.26Å; T340-D344 WeakPolarHBondContact O-CB 3.48Å; T340-D344 PolarHBondContact O-N 3.06Å; I342-D344 VanDerWaalsContact C-N 3.28Å; I342-D344 PolarHBondContact O-N 3.36Å
345	Y	88.2	Confident	83.8	Confident	71 Å²	71	34.4 Å²	34.4	28%	0.278	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-12.4	-169.1	-62.6	-70.6	0	0	0	115.3	K308 M311 E312 T340 L341 P347	K308-Y345 HydrophobicContact CB-CD2 4.26Å; K308-Y345 HydrophobicContact CB-CE2 4.39Å; K308-Y345 HydrophobicContact CB-CG 4.36Å; K308-Y345 HydrophobicContact CD-CD1 3.92Å; K308-Y345 HydrophobicContact CD-CD2 4.47Å; K308-Y345 HydrophobicContact CD-CE1 3.48Å; K308-Y345 VanDerWaalsContact CD-CE1 3.48Å; K308-Y345 HydrophobicContact CD-CE2 4.06Å; K308-Y345 HydrophobicContact CD-CG 4.38Å; K308-Y345 HydrophobicContact CG-CD1 3.65Å; K308-Y345 HydrophobicContact CG-CD2 4.05Å; K308-Y345 HydrophobicContact CG-CE1 3.78Å; K308-Y345 HydrophobicContact CG-CE2 4.13Å; K308-Y345 HydrophobicContact CG-CG 3.78Å; K308-Y345 VanDerWaalsContact NZ-CE1 3.33Å; K308-Y345 PolarHBondContact NZ-OH 3.14Å; M311-Y345 CarbonylContact C-O 3.49Å; E312-Y345 WeakPolarHBondContact CA-O 3.44Å; E312-Y345 HydrophobicContact CG-CD1 4.21Å; E312-Y345 PolarHBondContact N-O 3.39Å; E312-Y345 WeakPolarHBondContact OE1-CD1 3.28Å; T340-Y345 WeakPolarHBondContact O-CD2 3.4Å; L341-Y345 HydrophobicContact CD2-CE2 4.46Å; Y345-P347 VanDerWaalsContact O-CD 3.3Å; Y345-P347 WeakPolarHBondContact O-CD 3.46Å
346	L	88.9	Confident	85.5	Confident	3 Å²	3	30.1 Å²	30.1	2%	0.016	15%	0.147	C	C	.	.			trans	-69.2	119.8	172.8	-169.6	68.9	0	0	0	109.1	C314 L317 I342 P349 L352	C314-L346 HydrophobicContact CB-CD1 4.33Å; L317-L346 HydrophobicContact CB-CD1 4.46Å; L317-L346 HydrophobicContact CD2-CD1 4.03Å; I342-L346 WeakPolarHBondContact O-CB 3.37Å; I342-L346 PolarHBondContact O-N 3.35Å; L346-P349 HydrophobicContact CD2-CB 4.04Å; L346-P349 WeakPolarHBondContact O-CD 3.47Å; L346-L352 HydrophobicContact CD2-CD1 3.34Å; L346-L352 HydrophobicContact CD2-CD2 4.42Å; L346-L352 HydrophobicContact CD2-CG 3.84Å
347	P	86.4	Confident	86.8	Confident	53 Å²	53	29.4 Å²	29.4	34%	0.344	14%	0.144	S	C	.	.	S	Bend	trans	-71.3	-39.1	-172.2	25	-33.9	0	0	0	113	M311 Y345 P349	M311-P347 WeakPolarHBondContact O-CD 3.35Å; Y345-P347 VanDerWaalsContact O-CD 3.3Å; Y345-P347 WeakPolarHBondContact O-CD 3.46Å; P347-P349 VanDerWaalsContact C-CD 3.45Å; P347-P349 WeakPolarHBondContact O-CD 3.2Å
348	H	90.1	Very high	87.7	Confident	66 Å²	66	30.6 Å²	30.6	31%	0.306	15%	0.149	S	C	.	.			trans	-125.9	66.4	-177.7	-64.2	-70.4	0	0	0	112.6	I315 E350 H351	I315-H348 WeakPolarHBondContact O-CB 3.3Å; I315-H348 PolarHBondContact O-CD2 2.97Å; H348-E350 WeakPolarHBondContact CA-OE2 3.46Å; H348-E350 IonicContact CE1-OE1 3.82Å; H348-E350 IonicContact CG-OE1 3.92Å; H348-E350 IonicContact ND1-OE1 2.68Å; H348-E350 PolarHBondContact ND1-OE1 3.39Å; H348-E350 PolarHBondContact O-N 3.32Å; H348-E350 VanDerWaalsContact O-N 3.08Å; H348-H351 VanDerWaalsContact CB-CD2 3.43Å; H348-H351 WeakPolarHBondContact CB-CD2 3.21Å; H348-H351 PolarHBondContact O-N 3.02Å; H348-H351 VanDerWaalsContact O-N 3.12Å
349	P	92.7	Very high	87.7	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.006	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-59.4	-18	177.1	27.2	-36.4	0	0	0	113.6	L346 P347 H351 L352 F369 R372	L346-P349 HydrophobicContact CD2-CB 4.04Å; L346-P349 WeakPolarHBondContact O-CD 3.47Å; P347-P349 VanDerWaalsContact C-CD 3.45Å; P347-P349 WeakPolarHBondContact O-CD 3.2Å; P349-H351 PolarHBondContact O-N 2.97Å; P349-L352 WeakPolarHBondContact O-CB 3.16Å; P349-L352 PolarHBondContact O-N 3.23Å; P349-F369 HydrophobicContact CB-CD2 4.47Å; P349-F369 HydrophobicContact CB-CE2 3.87Å; P349-F369 HydrophobicContact CB-CZ 4.47Å; P349-R372 HydrophobicContact CB-CB 4.35Å; P349-R372 HydrophobicContact CG-CB 3.62Å
350	E	93.5	Very high	87.5	Confident	44 Å²	44	31.3 Å²	31.3	21%	0.206	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-64.7	-19.4	174.5	64.2	-88.5	-157.9	0	0	114.4	H348 R372 Y374 C375	H348-E350 WeakPolarHBondContact CA-OE2 3.46Å; H348-E350 IonicContact CE1-OE1 3.82Å; H348-E350 IonicContact CG-OE1 3.92Å; H348-E350 IonicContact ND1-OE1 2.68Å; H348-E350 PolarHBondContact ND1-OE1 3.39Å; H348-E350 PolarHBondContact O-N 3.32Å; H348-E350 VanDerWaalsContact O-N 3.08Å; E350-R372 VanDerWaalsContact CA-O 3.31Å; E350-R372 WeakPolarHBondContact CA-O 3Å; E350-R372 PolarHBondContact N-O 2.87Å; E350-Y374 HydrophobicContact CB-CD1 4.06Å; E350-Y374 HydrophobicContact CB-CE1 3.3Å; E350-Y374 HydrophobicContact CB-CE2 4.43Å; E350-Y374 HydrophobicContact CG-CE1 4.32Å; E350-C375 WeakPolarHBondContact O-CB 3.43Å; E350-C375 PolarHBondContact O-SG 3.05Å
351	H	91.9	Very high	87.2	Confident	60 Å²	60	31.8 Å²	31.8	28%	0.278	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-84.4	-18.3	177.4	-66.5	-33.5	0	0	0	113.2	L317 H348 P349 R353	L317-H351 CarbonylContact O-C 3.54Å; L317-H351 WeakPolarHBondContact O-CB 3.33Å; H348-H351 VanDerWaalsContact CB-CD2 3.43Å; H348-H351 WeakPolarHBondContact CB-CD2 3.21Å; H348-H351 PolarHBondContact O-N 3.02Å; H348-H351 VanDerWaalsContact O-N 3.12Å; P349-H351 PolarHBondContact O-N 2.97Å; H351-R353 PolarHBondContact O-N 3.16Å
352	L	94.3	Very high	87	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.149	C	C	.	.			trans	-63.7	127.3	-179.3	-73.9	178.7	0	0	0	111.3	L317 L320 L346 P349 F369 C375 L376	L317-L352 HydrophobicContact CB-CD2 4.37Å; L317-L352 HydrophobicContact CD2-CD2 4.2Å; L317-L352 HydrophobicContact CG-CD2 4.1Å; L317-L352 PolarHBondContact O-N 2.84Å; L320-L352 HydrophobicContact CB-CD2 4.09Å; L346-L352 HydrophobicContact CD2-CD1 3.34Å; L346-L352 HydrophobicContact CD2-CD2 4.42Å; L346-L352 HydrophobicContact CD2-CG 3.84Å; P349-L352 WeakPolarHBondContact O-CB 3.16Å; P349-L352 PolarHBondContact O-N 3.23Å; L352-F369 HydrophobicContact CD1-CZ 4.32Å; L352-C375 CarbonylContact O-C 3.35Å; L352-L376 HydrophobicContact CB-CD1 4.28Å; L352-L376 VanDerWaalsContact O-CA 3.29Å; L352-L376 WeakPolarHBondContact O-CA 3.27Å; L352-L376 PolarHBondContact O-N 3.37Å
353	R	95.6	Very high	86.8	Confident	124 Å²	124	33.6 Å²	33.6	47%	0.468	16%	0.161	S	C	.	.	S	Bend	trans	-109.1	-30.6	171.9	-63.9	-175.6	-179.5	-176.7	0.3	112	H318 H351 R377 E378	H318-R353 PolarHBondContact O-N 2.99Å; H351-R353 PolarHBondContact O-N 3.16Å; R353-R377 PolarHBondContact O-N 2.94Å; R353-E378 PolarHBondContact O-N 3.26Å
354	V	94.4	Very high	86.4	Confident	22 Å²	22	34.3 Å²	34.3	13%	0.133	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	125.7	-179.8	-179.5	0	0	0	0	109	H318 E319 L320 E378	H318-V354 PolarHBondContact O-N 2.93Å; H318-V354 VanDerWaalsContact O-N 3.14Å; E319-V354 WeakPolarHBondContact CA-O 3.5Å; E319-V354 HydrophobicContact CB-CB 4.11Å; E319-V354 HydrophobicContact CG-CB 3.85Å; E319-V354 HydrophobicContact CG-CG1 3.96Å; L320-V354 PolarHBondContact N-O 3.32Å; V354-E378 WeakPolarHBondContact CA-O 3.2Å; V354-E378 HydrophobicContact CB-CB 4.48Å; V354-E378 HydrophobicContact CG1-CB 4.25Å; V354-E378 HydrophobicContact CG2-CB 4.16Å; V354-E378 HydrophobicContact CG2-CG 4.26Å
355	L	94.1	Very high	86.2	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	118.3	174.3	-179.8	60.6	0	0	0	108.6	L320 L357 F369 L376 E378 L379 T380	L320-L355 HydrophobicContact CB-CD1 3.97Å; L320-L355 HydrophobicContact CD2-CD1 3.91Å; L320-L355 HydrophobicContact CG-CD1 4.09Å; L320-L355 CarbonylContact O-C 3.46Å; L320-L355 WeakPolarHBondContact O-CA 3.43Å; L355-L357 HydrophobicContact CD1-CD2 3.76Å; L355-L357 HydrophobicContact CD1-CG 4.02Å; L355-L357 HydrophobicContact CD2-CD1 4.15Å; L355-L357 HydrophobicContact CD2-CG 4.38Å; L355-L357 HydrophobicContact CG-CD1 4.29Å; L355-L357 HydrophobicContact CG-CD2 4.28Å; L355-L357 HydrophobicContact CG-CG 3.97Å; L355-F369 HydrophobicContact CD2-CE1 3.83Å; L355-F369 HydrophobicContact CD2-CZ 4.37Å; L355-L376 HydrophobicContact CB-CD1 3.64Å; L355-L376 HydrophobicContact CB-CD2 4.29Å; L355-L376 HydrophobicContact CD2-CD2 4.44Å; L355-E378 PolarHBondContact N-O 2.91Å; L355-L379 HydrophobicContact CB-CD1 4.07Å; L355-L379 HydrophobicContact CD2-CD1 3.97Å; L355-L379 HydrophobicContact CG-CD1 4.04Å; L355-L379 CarbonylContact O-C 3.15Å; L355-L379 VanDerWaalsContact O-CA 3.28Å; L355-L379 WeakPolarHBondContact O-CA 3.46Å; L355-T380 PolarHBondContact O-N 3.1Å
356	A	90.3	Very high	86.3	Confident	2 Å²	2	32.2 Å²	32.2	2%	0.017	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	114.8	173.6	0	0	0	0	0	109.6	L320 R321 F322 Y358 T380	L320-A356 PolarHBondContact O-N 2.96Å; R321-A356 CarbonylContact C-O 3.59Å; R321-A356 WeakPolarHBondContact CA-O 3.19Å; R321-A356 HydrophobicContact CB-CB 4.28Å; R321-A356 HydrophobicContact CG-CB 4.03Å; F322-A356 PolarHBondContact N-O 3.2Å; A356-Y358 HydrophobicContact CB-CD2 4.48Å; A356-Y358 HydrophobicContact CB-CE2 3.59Å; A356-T380 HydrophobicContact CB-CG2 4.47Å
357	L	87.4	Confident	86.5	Confident	3 Å²	3	33.3 Å²	33.3	2%	0.016	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123.7	-178.9	-60.9	178.4	0	0	0	108.8	F322 I342 L355 M360 W366 T380 E382	F322-L357 HydrophobicContact CB-CD2 4.16Å; I342-L357 HydrophobicContact CD1-CD2 3.45Å; I342-L357 VanDerWaalsContact CD1-CD2 3.45Å; L355-L357 HydrophobicContact CD1-CD2 3.76Å; L355-L357 HydrophobicContact CD1-CG 4.02Å; L355-L357 HydrophobicContact CD2-CD1 4.15Å; L355-L357 HydrophobicContact CD2-CG 4.38Å; L355-L357 HydrophobicContact CG-CD1 4.29Å; L355-L357 HydrophobicContact CG-CD2 4.28Å; L355-L357 HydrophobicContact CG-CG 3.97Å; L357-M360 HydrophobicContact CB-CB 4.44Å; L357-M360 HydrophobicContact CB-CE 4.34Å; L357-M360 HydrophobicContact CB-CG 4.44Å; L357-M360 HydrophobicContact CB-SD 3.44Å; L357-M360 WeakPolarHBondContact CB-SD 3.26Å; L357-M360 HydrophobicContact CD1-CE 3.61Å; L357-M360 HydrophobicContact CD1-SD 3.81Å; L357-M360 HydrophobicContact CG-SD 4.29Å; L357-W366 HydrophobicContact CD1-CH2 3.46Å; L357-W366 VanDerWaalsContact CD1-CH2 3.46Å; L357-W366 HydrophobicContact CD1-CZ2 4.46Å; L357-W366 HydrophobicContact CD1-CZ3 3.98Å; L357-T380 PolarHBondContact N-O 2.93Å; L357-E382 PolarHBondContact O-N 3.11Å
358	Y	81.2	Confident	86.8	Confident	27 Å²	27	33.6 Å²	33.6	11%	0.106	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	140.8	-178.9	-51	-89.9	0	0	0	111.5	M298 F322 K323 A356 M360 T380 E382 Y442 I483	M298-Y358 HydrophobicContact CE-CD2 4.06Å; M298-Y358 HydrophobicContact CE-CE2 4.05Å; M298-Y358 HydrophobicContact SD-CD2 4.14Å; M298-Y358 HydrophobicContact SD-CE2 4.09Å; F322-Y358 PolarHBondContact O-N 2.86Å; K323-Y358 HydrophobicContact CB-CD2 4.04Å; K323-Y358 HydrophobicContact CB-CG 4.21Å; K323-Y358 HydrophobicContact CD-CG 4.47Å; K323-Y358 HydrophobicContact CG-CG 4.48Å; A356-Y358 HydrophobicContact CB-CD2 4.48Å; A356-Y358 HydrophobicContact CB-CE2 3.59Å; Y358-M360 PolarHBondContact O-N 2.97Å; Y358-T380 HydrophobicContact CE1-CG2 3.88Å; Y358-E382 HydrophobicContact CD1-CB 4.04Å; Y358-E382 VanDerWaalsContact CD1-OE2 3.27Å; Y358-E382 WeakPolarHBondContact CD1-OE2 3.39Å; Y358-Y442 HydrophobicContact CD1-CE1 4.45Å; Y358-I483 HydrophobicContact CD1-CD1 4.16Å; Y358-I483 HydrophobicContact CE1-CD1 3.8Å
359	N	75.4	Confident	87	Confident	29 Å²	29	30.6 Å²	30.6	16%	0.155	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	53.4	49.5	-176.9	-69.3	-12.3	0	0	0	112.8	K323 F336 E382	K323-N359 WeakPolarHBondContact CE-ND2 3.47Å; F336-N359 HydrophobicContact CD1-CB 4.05Å; F336-N359 WeakPolarHBondContact CD1-O 3.32Å; F336-N359 HydrophobicContact CE1-CB 3.9Å; N359-E382 PolarHBondContact N-O 3.28Å; N359-E382 PolarHBondContact OD1-OE1 3.46Å
360	M	75.6	Confident	87.1	Confident	6 Å²	6	30.6 Å²	30.6	3%	0.03	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	139.9	-171	64.6	-176.7	-70.8	0	0	114.3	T339 L357 Y358 W366 I381 E382 M384 Y460 M467	T339-M360 HydrophobicContact CG2-CB 3.8Å; T339-M360 HydrophobicContact CG2-CE 3.78Å; L357-M360 HydrophobicContact CB-CB 4.44Å; L357-M360 HydrophobicContact CB-CE 4.34Å; L357-M360 HydrophobicContact CB-CG 4.44Å; L357-M360 HydrophobicContact CB-SD 3.44Å; L357-M360 WeakPolarHBondContact CB-SD 3.26Å; L357-M360 HydrophobicContact CD1-CE 3.61Å; L357-M360 HydrophobicContact CD1-SD 3.81Å; L357-M360 HydrophobicContact CG-SD 4.29Å; Y358-M360 PolarHBondContact O-N 2.97Å; M360-W366 HydrophobicContact CE-CH2 3.42Å; M360-W366 VanDerWaalsContact CE-CH2 3.42Å; M360-W366 HydrophobicContact CE-CZ2 3.1Å; M360-W366 HydrophobicContact CE-CZ3 4.47Å; M360-I381 HydrophobicContact SD-CB 4.49Å; M360-I381 HydrophobicContact SD-CG1 4.47Å; M360-I381 HydrophobicContact SD-CG2 3.86Å; M360-E382 PolarHBondContact N-O 3.09Å; M360-M384 WeakPolarHBondContact O-CB 3.48Å; M360-M384 PolarHBondContact O-N 3.41Å; M360-Y460 PolarHBondContact O-OH 3.37Å; M360-M467 HydrophobicContact CE-CE 4.22Å; M360-M467 HydrophobicContact CE-SD 3.54Å; M360-M467 VanDerWaalsContact CE-SD 3.54Å
361	Q	75.6	Confident	87.1	Confident	50 Å²	50	32.2 Å²	32.2	23%	0.234	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-77	125.4	163.6	-172.5	169.4	-18.8	0	0	109.3	F336 T339 D363 L457	F336-Q361 PolarHBondContact O-OE1 2.72Å; T339-Q361 WeakPolarHBondContact CG2-O 3.44Å; T339-Q361 PolarHBondContact OG1-O 3.44Å; Q361-D363 VanDerWaalsContact CD-OD2 3.24Å; Q361-D363 HydrophobicContact CG-CB 3.96Å; Q361-D363 WeakPolarHBondContact CG-OD2 3.14Å; Q361-D363 PolarHBondContact NE2-OD2 2.96Å; Q361-D363 PolarHBondContact O-N 2.9Å; Q361-L457 HydrophobicContact CG-CD1 4.31Å
362	A	75.1	Confident	87.2	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.008	17%	0.174	C	C	.	.			trans	-84.9	85.5	172.9	0	0	0	0	0	108.3	Y460 N463 L464	A362-Y460 HydrophobicContact CB-CE2 4.2Å; A362-N463 HydrophobicContact CB-CB 4.04Å; A362-N463 WeakPolarHBondContact O-CB 3.47Å; A362-N463 PolarHBondContact O-ND2 3.49Å; A362-L464 HydrophobicContact CB-CB 4.28Å
363	D	78.7	Confident	87.3	Confident	50 Å²	50	33.8 Å²	33.8	27%	0.267	17%	0.174	S	C	.	.			trans	-125.1	-11.6	-177	51.2	5.7	0	0	0	114.4	S338 T339 Q361	S338-D363 VanDerWaalsContact CA-OD2 3.25Å; S338-D363 WeakPolarHBondContact CA-OD2 3.41Å; S338-D363 VanDerWaalsContact CB-OD2 3.24Å; S338-D363 WeakPolarHBondContact CB-OD2 3.33Å; S338-D363 PolarHBondContact OG-OD1 2.95Å; S338-D363 PolarHBondContact OG-OD2 3.15Å; T339-D363 PolarHBondContact N-OD1 3.2Å; T339-D363 PolarHBondContact OG1-OD1 2.81Å; Q361-D363 VanDerWaalsContact CD-OD2 3.24Å; Q361-D363 HydrophobicContact CG-CB 3.96Å; Q361-D363 WeakPolarHBondContact CG-OD2 3.14Å; Q361-D363 PolarHBondContact NE2-OD2 2.96Å; Q361-D363 PolarHBondContact O-N 2.9Å
364	S	77.3	Confident	87.1	Confident	16 Å²	16	34.3 Å²	34.3	11%	0.112	18%	0.177	C	C	.	.	S	Bend	trans	-81	160.1	178.4	-67.4	0	0	0	0	115	T339 T340 T343 W366	T339-S364 PolarHBondContact OG1-OG 3.07Å; T339-S364 VanDerWaalsContact OG1-OG 3.08Å; T340-S364 WeakPolarHBondContact CA-OG 3.46Å; T340-S364 WeakPolarHBondContact CG2-OG 3.44Å; T340-S364 PolarHBondContact N-OG 2.76Å; T343-S364 VanDerWaalsContact OG1-CB 3.31Å; T343-S364 WeakPolarHBondContact OG1-CB 3.43Å; T343-S364 PolarHBondContact OG1-OG 3.25Å; S364-W366 PolarHBondContact O-N 3.37Å
365	N	83.9	Confident	87.1	Confident	112 Å²	112	35.2 Å²	35.2	60%	0.599	18%	0.183	S	C	*	.			trans	-73.5	78.7	161.6	-174.7	-11.7	0	0	0	110.6	A367 S368 F369	N365-A367 PolarHBondContact O-N 3.28Å; N365-A367 PolarHBondContact OD1-N 3.07Å; N365-S368 PolarHBondContact O-N 3.32Å; N365-S368 VanDerWaalsContact O-N 3.13Å; N365-S368 PolarHBondContact OD1-N 3.38Å; N365-F369 PolarHBondContact O-N 3.09Å
366	W	90.5	Very high	87.3	Confident	7 Å²	7	35.2 Å²	35.2	3%	0.027	18%	0.183	C	C	.	.	H	α-helix	trans	-57.2	-32.2	-179.6	-70.4	100.5	0	0	0	114	T339 T343 L357 M360 S364 S368 F369 F370 M467	T339-W366 VanDerWaalsContact CB-CZ2 3.48Å; T339-W366 HydrophobicContact CG2-CH2 4.13Å; T339-W366 HydrophobicContact CG2-CZ2 3.73Å; T339-W366 VanDerWaalsContact OG1-CZ2 3.27Å; T339-W366 WeakPolarHBondContact OG1-CZ2 3.13Å; T343-W366 HydrophobicContact CG2-CE3 4.23Å; T343-W366 HydrophobicContact CG2-CH2 3.98Å; T343-W366 HydrophobicContact CG2-CZ2 4.47Å; T343-W366 HydrophobicContact CG2-CZ3 3.87Å; L357-W366 HydrophobicContact CD1-CH2 3.46Å; L357-W366 VanDerWaalsContact CD1-CH2 3.46Å; L357-W366 HydrophobicContact CD1-CZ2 4.46Å; L357-W366 HydrophobicContact CD1-CZ3 3.98Å; M360-W366 HydrophobicContact CE-CH2 3.42Å; M360-W366 VanDerWaalsContact CE-CH2 3.42Å; M360-W366 HydrophobicContact CE-CZ2 3.1Å; M360-W366 HydrophobicContact CE-CZ3 4.47Å; S364-W366 PolarHBondContact O-N 3.37Å; W366-S368 VanDerWaalsContact C-N 3.33Å; W366-S368 PolarHBondContact O-N 2.89Å; W366-F369 HydrophobicContact CE3-CD1 4.03Å; W366-F369 AromaticContact CZ3-CD1 3.93Å; W366-F369 HydrophobicContact CZ3-CD1 3.93Å; W366-F369 HydrophobicContact CZ3-CE1 4.23Å; W366-F369 PolarHBondContact O-N 2.95Å; W366-F370 HydrophobicContact CB-CD2 4.34Å; W366-F370 HydrophobicContact CB-CE2 4.09Å; W366-F370 HydrophobicContact CB-CZ 4.5Å; W366-F370 HydrophobicContact CD2-CZ 4.32Å; W366-F370 HydrophobicContact CE3-CD1 4.34Å; W366-F370 AromaticContact CE3-CE1 3.6Å; W366-F370 HydrophobicContact CE3-CE1 3.6Å; W366-F370 HydrophobicContact CE3-CE2 4.3Å; W366-F370 AromaticContact CE3-CZ 3.57Å; W366-F370 HydrophobicContact CE3-CZ 3.57Å; W366-F370 HydrophobicContact CZ3-CE1 4.04Å; W366-F370 HydrophobicContact CZ3-CZ 4.25Å; W366-F370 VanDerWaalsContact O-CB 3.3Å; W366-F370 WeakPolarHBondContact O-CB 3.2Å; W366-F370 WeakPolarHBondContact O-CD2 3.43Å; W366-F370 VanDerWaalsContact O-CG 3.27Å; W366-F370 WeakPolarHBondContact O-CG 3.21Å; W366-F370 PolarHBondContact O-N 3.02Å; W366-M467 HydrophobicContact CB-CB 4.15Å; W366-M467 HydrophobicContact CB-CG 3.96Å; W366-M467 VanDerWaalsContact CD1-CB 3.49Å; W366-M467 HydrophobicContact CD2-CB 4.38Å; W366-M467 HydrophobicContact CD2-CG 3.62Å; W366-M467 HydrophobicContact CD2-SD 3.7Å; W366-M467 HydrophobicContact CE3-CG 4.29Å; W366-M467 HydrophobicContact CE3-SD 4.3Å; W366-M467 HydrophobicContact CG-CB 3.73Å; W366-M467 HydrophobicContact CG-CG 3.42Å; W366-M467 VanDerWaalsContact CG-CG 3.42Å; W366-M467 HydrophobicContact CG-SD 4.05Å; W366-M467 HydrophobicContact CH2-SD 4.45Å; W366-M467 HydrophobicContact CZ2-SD 3.84Å
367	A	91.8	Very high	87.6	Confident	26 Å²	26	41.6 Å²	41.6	22%	0.215	21%	0.207	C	C	.	.	H	α-helix	trans	-60.8	-43.1	177	0	0	0	0	0	112.1	N365 T371 S470	N365-A367 PolarHBondContact O-N 3.28Å; N365-A367 PolarHBondContact OD1-N 3.07Å; A367-T371 WeakPolarHBondContact O-CB 3.26Å; A367-T371 PolarHBondContact O-N 2.92Å; A367-T371 VanDerWaalsContact O-N 3.15Å; A367-T371 PolarHBondContact O-OG1 2.88Å; A367-S470 WeakPolarHBondContact CB-OG 3.27Å
368	S	92.8	Very high	88.1	Confident	60 Å²	60	44.2 Å²	44.2	42%	0.42	22%	0.22	S	C	.	.	H	α-helix	trans	-66.1	-46.5	176.5	-178.3	0	0	0	0	111.5	N365 W366 T371 R372	N365-S368 PolarHBondContact O-N 3.32Å; N365-S368 VanDerWaalsContact O-N 3.13Å; N365-S368 PolarHBondContact OD1-N 3.38Å; W366-S368 VanDerWaalsContact C-N 3.33Å; W366-S368 PolarHBondContact O-N 2.89Å; S368-T371 PolarHBondContact O-N 3.16Å; S368-R372 PolarHBondContact O-N 3.25Å
369	F	93.7	Very high	88.8	Confident	2 Å²	2	43 Å²	43	1%	0.009	22%	0.215	C	C	.	.	H	α-helix	trans	-61.8	-50	178.7	-178.9	-109.6	0	0	0	112.4	I342 T343 P349 L352 L355 N365 W366 T371 R372 C373	I342-F369 HydrophobicContact CG2-CZ 4.33Å; T343-F369 HydrophobicContact CG2-CB 3.92Å; T343-F369 HydrophobicContact CG2-CD1 3.92Å; T343-F369 HydrophobicContact CG2-CD2 3.94Å; T343-F369 HydrophobicContact CG2-CE1 4.41Å; T343-F369 HydrophobicContact CG2-CE2 4.43Å; T343-F369 HydrophobicContact CG2-CG 3.65Å; P349-F369 HydrophobicContact CB-CD2 4.47Å; P349-F369 HydrophobicContact CB-CE2 3.87Å; P349-F369 HydrophobicContact CB-CZ 4.47Å; L352-F369 HydrophobicContact CD1-CZ 4.32Å; L355-F369 HydrophobicContact CD2-CE1 3.83Å; L355-F369 HydrophobicContact CD2-CZ 4.37Å; N365-F369 PolarHBondContact O-N 3.09Å; W366-F369 HydrophobicContact CE3-CD1 4.03Å; W366-F369 AromaticContact CZ3-CD1 3.93Å; W366-F369 HydrophobicContact CZ3-CD1 3.93Å; W366-F369 HydrophobicContact CZ3-CE1 4.23Å; W366-F369 PolarHBondContact O-N 2.95Å; F369-T371 VanDerWaalsContact C-N 3.26Å; F369-T371 PolarHBondContact O-N 2.82Å; F369-R372 PolarHBondContact O-N 3.07Å; F369-C373 VanDerWaalsContact CE1-SG 3.52Å; F369-C373 WeakPolarHBondContact CZ-SG 3.31Å; F369-C373 PolarHBondContact O-N 2.97Å; F369-C373 VanDerWaalsContact O-N 3.14Å; F369-C373 PolarHBondContact O-SG 3.4Å
370	F	95.2	Very high	89.6	Confident	1 Å²	1	41.9 Å²	41.9	0%	0.004	21%	0.209	C	C	.	.	H	α-helix	trans	-63.6	-29.4	179.4	-69.6	-20.8	0	0	0	113.5	W366 R372 C373 L379 M467 L471 K473 L474	W366-F370 HydrophobicContact CB-CD2 4.34Å; W366-F370 HydrophobicContact CB-CE2 4.09Å; W366-F370 HydrophobicContact CB-CZ 4.5Å; W366-F370 HydrophobicContact CD2-CZ 4.32Å; W366-F370 HydrophobicContact CE3-CD1 4.34Å; W366-F370 AromaticContact CE3-CE1 3.6Å; W366-F370 HydrophobicContact CE3-CE1 3.6Å; W366-F370 HydrophobicContact CE3-CE2 4.3Å; W366-F370 AromaticContact CE3-CZ 3.57Å; W366-F370 HydrophobicContact CE3-CZ 3.57Å; W366-F370 HydrophobicContact CZ3-CE1 4.04Å; W366-F370 HydrophobicContact CZ3-CZ 4.25Å; W366-F370 VanDerWaalsContact O-CB 3.3Å; W366-F370 WeakPolarHBondContact O-CB 3.2Å; W366-F370 WeakPolarHBondContact O-CD2 3.43Å; W366-F370 VanDerWaalsContact O-CG 3.27Å; W366-F370 WeakPolarHBondContact O-CG 3.21Å; W366-F370 PolarHBondContact O-N 3.02Å; F370-R372 PolarHBondContact O-N 3.27Å; F370-C373 PolarHBondContact O-N 3.01Å; F370-L379 HydrophobicContact CE1-CD2 4.41Å; F370-L379 HydrophobicContact CZ-CD2 4.1Å; F370-M467 HydrophobicContact CE2-CG 4.25Å; F370-M467 HydrophobicContact CZ-CG 4.27Å; F370-L471 HydrophobicContact CD2-CD2 4.44Å; F370-L471 HydrophobicContact CE2-CD2 3.7Å; F370-L471 HydrophobicContact CE2-CG 4.41Å; F370-L471 HydrophobicContact CZ-CD2 4.02Å; F370-K473 HydrophobicContact CB-CB 3.86Å; F370-L474 HydrophobicContact CB-CD2 3.64Å; F370-L474 HydrophobicContact CB-CG 3.89Å; F370-L474 HydrophobicContact CD1-CD1 3.93Å; F370-L474 HydrophobicContact CD1-CD2 3.82Å; F370-L474 HydrophobicContact CD1-CG 4.13Å; F370-L474 HydrophobicContact CD2-CD1 4.21Å; F370-L474 HydrophobicContact CD2-CG 4.3Å; F370-L474 HydrophobicContact CE1-CD1 4.1Å; F370-L474 HydrophobicContact CE2-CD1 4.37Å; F370-L474 HydrophobicContact CG-CD1 3.99Å; F370-L474 HydrophobicContact CG-CD2 3.84Å; F370-L474 HydrophobicContact CG-CG 3.86Å; F370-L474 HydrophobicContact CZ-CD1 4.32Å
371	T	94.3	Very high	90.2	Very high	78 Å²	78	41.7 Å²	41.7	48%	0.479	21%	0.208	S	C	.	.	H	α-helix	trans	-63	-31.4	173.2	-59.2	0	0	0	0	111.7	A367 S368 F369	A367-T371 WeakPolarHBondContact O-CB 3.26Å; A367-T371 PolarHBondContact O-N 2.92Å; A367-T371 VanDerWaalsContact O-N 3.15Å; A367-T371 PolarHBondContact O-OG1 2.88Å; S368-T371 PolarHBondContact O-N 3.16Å; F369-T371 VanDerWaalsContact C-N 3.26Å; F369-T371 PolarHBondContact O-N 2.82Å
372	R	94.6	Very high	90.6	Very high	93 Å²	93	39.3 Å²	39.3	35%	0.351	20%	0.197	S	C	.	.	H	α-helix	trans	-82.8	-27	175.7	-59.6	-174.9	-73.7	162.8	-1.6	112.8	T343 P349 E350 S368 F369 F370 Y374	T343-R372 PolarHBondContact O-NH2 3.4Å; P349-R372 HydrophobicContact CB-CB 4.35Å; P349-R372 HydrophobicContact CG-CB 3.62Å; E350-R372 VanDerWaalsContact CA-O 3.31Å; E350-R372 WeakPolarHBondContact CA-O 3Å; E350-R372 PolarHBondContact N-O 2.87Å; S368-R372 PolarHBondContact O-N 3.25Å; F369-R372 PolarHBondContact O-N 3.07Å; F370-R372 PolarHBondContact O-N 3.27Å; R372-Y374 VanDerWaalsContact C-N 3.26Å; R372-Y374 WeakPolarHBondContact O-CD1 3.48Å; R372-Y374 PolarHBondContact O-N 2.87Å
373	C	94.8	Very high	90.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.			trans	-81.3	47.3	178.9	-64.6	0	0	0	0	114.4	F369 F370 C375 L376 L474	F369-C373 VanDerWaalsContact CE1-SG 3.52Å; F369-C373 WeakPolarHBondContact CZ-SG 3.31Å; F369-C373 PolarHBondContact O-N 2.97Å; F369-C373 VanDerWaalsContact O-N 3.14Å; F369-C373 PolarHBondContact O-SG 3.4Å; F370-C373 PolarHBondContact O-N 3.01Å; C373-C375 PolarHBondContact O-N 3.18Å; C373-L376 HydrophobicContact CB-CB 4.05Å; C373-L376 HydrophobicContact CB-CD2 4.38Å; C373-L376 VanDerWaalsContact O-CB 3.28Å; C373-L376 WeakPolarHBondContact O-CB 3.25Å; C373-L376 PolarHBondContact O-N 3.34Å; C373-L376 VanDerWaalsContact O-N 3.08Å; C373-L474 HydrophobicContact CB-CD2 3.94Å
374	Y	92.6	Very high	90.1	Very high	135 Å²	135	37.6 Å²	37.6	53%	0.529	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-17	-173.8	60	-97.9	0	0	0	114.8	E350 R372 S476	E350-Y374 HydrophobicContact CB-CD1 4.06Å; E350-Y374 HydrophobicContact CB-CE1 3.3Å; E350-Y374 HydrophobicContact CB-CE2 4.43Å; E350-Y374 HydrophobicContact CG-CE1 4.32Å; R372-Y374 VanDerWaalsContact C-N 3.26Å; R372-Y374 WeakPolarHBondContact O-CD1 3.48Å; R372-Y374 PolarHBondContact O-N 2.87Å; Y374-S476 WeakPolarHBondContact O-CB 3.4Å; Y374-S476 PolarHBondContact O-OG 2.96Å
375	C	95	Very high	89	Confident	41 Å²	41	39.5 Å²	39.5	28%	0.277	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-3.4	173.9	-66.9	0	0	0	0	114.2	E350 L352 C373 R377	E350-C375 WeakPolarHBondContact O-CB 3.43Å; E350-C375 PolarHBondContact O-SG 3.05Å; L352-C375 CarbonylContact O-C 3.35Å; C373-C375 PolarHBondContact O-N 3.18Å; C375-R377 WeakPolarHBondContact O-CG 3.36Å; C375-R377 PolarHBondContact O-N 3.32Å
376	L	96.9	Very high	87.5	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.178	C	C	.	.			trans	-68.4	122.6	-173	-172.1	68.5	0	0	0	110.8	L352 L355 C373 L379 L474 S476 L477	L352-L376 HydrophobicContact CB-CD1 4.28Å; L352-L376 VanDerWaalsContact O-CA 3.29Å; L352-L376 WeakPolarHBondContact O-CA 3.27Å; L352-L376 PolarHBondContact O-N 3.37Å; L355-L376 HydrophobicContact CB-CD1 3.64Å; L355-L376 HydrophobicContact CB-CD2 4.29Å; L355-L376 HydrophobicContact CD2-CD2 4.44Å; C373-L376 HydrophobicContact CB-CB 4.05Å; C373-L376 HydrophobicContact CB-CD2 4.38Å; C373-L376 VanDerWaalsContact O-CB 3.28Å; C373-L376 WeakPolarHBondContact O-CB 3.25Å; C373-L376 PolarHBondContact O-N 3.34Å; C373-L376 VanDerWaalsContact O-N 3.08Å; L376-L379 HydrophobicContact CD2-CD1 4.46Å; L376-L474 HydrophobicContact CB-CD2 4.2Å; L376-L474 HydrophobicContact CD2-CD1 3.95Å; L376-L474 HydrophobicContact CD2-CD2 3.94Å; L376-S476 CarbonylContact O-C 3.59Å; L376-S476 WeakPolarHBondContact O-CB 3.44Å; L376-L477 WeakPolarHBondContact O-CA 3.37Å; L376-L477 PolarHBondContact O-N 3.17Å
377	R	97	Very high	85.3	Confident	136 Å²	136	39.3 Å²	39.3	51%	0.513	20%	0.195	S	C	.	.			trans	-110.4	-34.3	-176.3	-62.5	-175.1	-178.2	-172.2	-3.1	113	R353 C375 S476 R478 V479	R353-R377 PolarHBondContact O-N 2.94Å; C375-R377 WeakPolarHBondContact O-CG 3.36Å; C375-R377 PolarHBondContact O-N 3.32Å; R377-S476 WeakPolarHBondContact CA-O 3.36Å; R377-R478 PolarHBondContact O-N 3.4Å; R377-V479 PolarHBondContact O-N 3.22Å
378	E	97.4	Very high	83.1	Confident	59 Å²	59	38.6 Å²	38.6	28%	0.276	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	127.1	179.2	-52.6	-164.8	-161.4	0	0	110.6	R353 V354 L355 V479 R481	R353-E378 PolarHBondContact O-N 3.26Å; V354-E378 WeakPolarHBondContact CA-O 3.2Å; V354-E378 HydrophobicContact CB-CB 4.48Å; V354-E378 HydrophobicContact CG1-CB 4.25Å; V354-E378 HydrophobicContact CG2-CB 4.16Å; V354-E378 HydrophobicContact CG2-CG 4.26Å; L355-E378 PolarHBondContact N-O 2.91Å; E378-V479 WeakPolarHBondContact CA-O 3.49Å; E378-V479 HydrophobicContact CB-CB 4.23Å; E378-V479 HydrophobicContact CG-CB 3.93Å; E378-V479 HydrophobicContact CG-CG2 4.07Å; E378-R481 IonicContact OE2-CZ 3.87Å; E378-R481 VanDerWaalsContact OE2-CZ 3.31Å; E378-R481 IonicContact OE2-NH1 3.56Å; E378-R481 PolarHBondContact OE2-NH1 2.88Å; E378-R481 IonicContact OE2-NH2 3Å; E378-R481 PolarHBondContact OE2-NH2 3.32Å
379	L	95.6	Very high	81.3	Confident	1 Å²	1	39 Å²	39	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	124.1	175.7	-179.7	59.5	0	0	0	109.6	L355 F370 L376 I381 L471 L474 L477 V479 L480 R481	L355-L379 HydrophobicContact CB-CD1 4.07Å; L355-L379 HydrophobicContact CD2-CD1 3.97Å; L355-L379 HydrophobicContact CG-CD1 4.04Å; L355-L379 CarbonylContact O-C 3.15Å; L355-L379 VanDerWaalsContact O-CA 3.28Å; L355-L379 WeakPolarHBondContact O-CA 3.46Å; F370-L379 HydrophobicContact CE1-CD2 4.41Å; F370-L379 HydrophobicContact CZ-CD2 4.1Å; L376-L379 HydrophobicContact CD2-CD1 4.46Å; L379-I381 HydrophobicContact CD1-CD1 4.49Å; L379-I381 HydrophobicContact CD1-CG1 4.18Å; L379-I381 HydrophobicContact CD2-CD1 3.69Å; L379-I381 HydrophobicContact CD2-CG1 4.27Å; L379-I381 HydrophobicContact CG-CD1 3.9Å; L379-I381 HydrophobicContact CG-CG1 4Å; L379-L471 HydrophobicContact CD2-CD2 3.48Å; L379-L471 VanDerWaalsContact CD2-CD2 3.48Å; L379-L474 HydrophobicContact CD2-CD1 4.05Å; L379-L477 HydrophobicContact CB-CD1 3.76Å; L379-V479 PolarHBondContact N-O 2.74Å; L379-L480 HydrophobicContact CB-CD1 4.18Å; L379-L480 HydrophobicContact CD2-CD1 4.12Å; L379-L480 HydrophobicContact CG-CD1 4.2Å; L379-L480 CarbonylContact O-C 3.59Å; L379-L480 WeakPolarHBondContact O-CA 3.42Å; L379-R481 PolarHBondContact O-N 2.93Å
380	T	92.1	Very high	79.7	Confident	6 Å²	6	46 Å²	46	4%	0.037	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.5	168.6	-56	0	0	0	0	108.9	L355 A356 L357 Y358 R481 I483	L355-T380 PolarHBondContact O-N 3.1Å; A356-T380 HydrophobicContact CB-CG2 4.47Å; L357-T380 PolarHBondContact N-O 2.93Å; Y358-T380 HydrophobicContact CE1-CG2 3.88Å; T380-R481 CarbonylContact C-O 3.56Å; T380-R481 VanDerWaalsContact CA-O 3.29Å; T380-R481 WeakPolarHBondContact CA-O 3.33Å; T380-R481 HydrophobicContact CG2-CB 4Å; T380-I483 HydrophobicContact CG2-CD1 3.95Å; T380-I483 HydrophobicContact CG2-CG1 4.43Å
381	I	88.5	Confident	78.2	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	120.5	176.7	-65.6	151.7	0	0	0	108.1	M360 L379 P383 M467 L468 L480 R481 L482 I483	M360-I381 HydrophobicContact SD-CB 4.49Å; M360-I381 HydrophobicContact SD-CG1 4.47Å; M360-I381 HydrophobicContact SD-CG2 3.86Å; L379-I381 HydrophobicContact CD1-CD1 4.49Å; L379-I381 HydrophobicContact CD1-CG1 4.18Å; L379-I381 HydrophobicContact CD2-CD1 3.69Å; L379-I381 HydrophobicContact CD2-CG1 4.27Å; L379-I381 HydrophobicContact CG-CD1 3.9Å; L379-I381 HydrophobicContact CG-CG1 4Å; I381-P383 HydrophobicContact CG2-CG 4.15Å; I381-M467 HydrophobicContact CB-CE 4.42Å; I381-M467 HydrophobicContact CD1-CE 3.69Å; I381-M467 HydrophobicContact CG1-CE 3.97Å; I381-M467 HydrophobicContact CG2-CE 3.57Å; I381-L468 HydrophobicContact CD1-CD2 4.44Å; I381-L480 HydrophobicContact CD1-CD1 4.27Å; I381-R481 PolarHBondContact N-O 2.96Å; I381-L482 HydrophobicContact CB-CD2 3.89Å; I381-L482 HydrophobicContact CD1-CD2 3.83Å; I381-L482 HydrophobicContact CG1-CD2 4.42Å; I381-L482 WeakPolarHBondContact O-CA 3.47Å; I381-I483 PolarHBondContact O-N 3.14Å
382	E	84.1	Confident	77.1	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	105.4	162.3	-176	-167.7	171.1	0	0	108.6	L357 Y358 N359 M360 Y442 I483 K485	L357-E382 PolarHBondContact O-N 3.11Å; Y358-E382 HydrophobicContact CD1-CB 4.04Å; Y358-E382 VanDerWaalsContact CD1-OE2 3.27Å; Y358-E382 WeakPolarHBondContact CD1-OE2 3.39Å; N359-E382 PolarHBondContact N-O 3.28Å; N359-E382 PolarHBondContact OD1-OE1 3.46Å; M360-E382 PolarHBondContact N-O 3.09Å; E382-Y442 PolarHBondContact OE1-OH 3.07Å; E382-Y442 PolarHBondContact OE2-OH 3.35Å; E382-I483 HydrophobicContact CB-CB 3.85Å; E382-I483 HydrophobicContact CB-CD1 4.4Å; E382-I483 HydrophobicContact CB-CG2 4.33Å; E382-I483 HydrophobicContact CG-CB 3.91Å; E382-I483 HydrophobicContact CG-CG2 3.87Å; E382-K485 WeakPolarHBondContact OE1-CE 3.41Å; E382-K485 IonicContact OE1-NZ 3.21Å; E382-K485 PolarHBondContact OE1-NZ 3.07Å
383	P	76.2	Confident	76.5	Confident	5 Å²	5	43.3 Å²	43.3	3%	0.032	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	152.6	174.9	-24.1	37.5	0	0	0	112.2	I381 L385 Y460 L464 I483	I381-P383 HydrophobicContact CG2-CG 4.15Å; P383-L385 VanDerWaalsContact C-N 3.29Å; P383-L385 PolarHBondContact O-N 3.38Å; P383-Y460 VanDerWaalsContact CA-OH 3.3Å; P383-Y460 WeakPolarHBondContact CA-OH 3.5Å; P383-Y460 HydrophobicContact CB-CE1 4.25Å; P383-Y460 VanDerWaalsContact CB-OH 3.23Å; P383-Y460 WeakPolarHBondContact CB-OH 3.31Å; P383-L464 HydrophobicContact CB-CD2 4.12Å; P383-L464 HydrophobicContact CG-CD1 4.27Å; P383-L464 HydrophobicContact CG-CD2 3.95Å; P383-I483 WeakPolarHBondContact CD-O 3.3Å
384	M	67.4	Low	76.1	Confident	9 Å²	9	44.2 Å²	44.2	4%	0.044	21%	0.212	C	C	.	.	S	Bend	trans	-61.9	-28.1	-179.4	-170.4	-174	90.3	0	0	114.4	F336 M360 S386 M454 L457 Y460	F336-M384 HydrophobicContact CB-CG 4.28Å; F336-M384 HydrophobicContact CB-SD 3.64Å; F336-M384 HydrophobicContact CD1-CG 3.73Å; F336-M384 HydrophobicContact CD1-SD 4.19Å; F336-M384 HydrophobicContact CD2-CE 4.21Å; F336-M384 HydrophobicContact CD2-CG 3.49Å; F336-M384 VanDerWaalsContact CD2-CG 3.49Å; F336-M384 HydrophobicContact CD2-SD 3.12Å; F336-M384 WeakPolarHBondContact CD2-SD 3.25Å; F336-M384 HydrophobicContact CE1-CG 3.84Å; F336-M384 HydrophobicContact CE2-CE 4.49Å; F336-M384 HydrophobicContact CE2-CG 3.63Å; F336-M384 HydrophobicContact CE2-SD 3.77Å; F336-M384 HydrophobicContact CG-CG 3.53Å; F336-M384 HydrophobicContact CG-SD 3.36Å; F336-M384 WeakPolarHBondContact CG-SD 3.48Å; F336-M384 HydrophobicContact CZ-CG 3.78Å; F336-M384 HydrophobicContact CZ-SD 4.49Å; M360-M384 WeakPolarHBondContact O-CB 3.48Å; M360-M384 PolarHBondContact O-N 3.41Å; M384-S386 PolarHBondContact O-N 2.88Å; M384-M454 HydrophobicContact CE-CE 4.03Å; M384-M454 HydrophobicContact CE-SD 3.79Å; M384-M454 HydrophobicContact CG-SD 4.42Å; M384-L457 HydrophobicContact CE-CD1 3.39Å; M384-L457 HydrophobicContact CE-CG 3.96Å; M384-L457 HydrophobicContact SD-CD1 4.12Å; M384-Y460 HydrophobicContact CB-CE2 4.36Å; M384-Y460 PolarHBondContact N-OH 3.42Å
385	L	55.4	Low	75.9	Confident	57 Å²	57	37.8 Å²	37.8	30%	0.298	19%	0.187	S	C	.	.			trans	-66.3	95.4	-177.7	-74.9	170.6	0	0	0	111.1	P383 Y460	P383-L385 VanDerWaalsContact C-N 3.29Å; P383-L385 PolarHBondContact O-N 3.38Å; L385-Y460 HydrophobicContact CD1-CD1 3.71Å; L385-Y460 HydrophobicContact CD1-CE1 3.85Å; L385-Y460 HydrophobicContact CG-CD1 4.03Å; L385-Y460 HydrophobicContact CG-CE1 3.92Å
386	S	52.1	Low	75.8	Confident	31 Å²	31	36.6 Å²	36.6	22%	0.217	18%	0.178	C	C	.	.			trans	-156.1	127	158.8	-161.6	0	0	0	0	115.2	M384 A388 K485	M384-S386 PolarHBondContact O-N 2.88Å; S386-A388 VanDerWaalsContact OG-C 3.32Å; S386-A388 WeakPolarHBondContact OG-CA 3.31Å; S386-A388 PolarHBondContact OG-N 3.32Å; S386-A388 PolarHBondContact OG-O 3.44Å; S386-K485 VanDerWaalsContact CB-CB 3.4Å; S386-K485 WeakPolarHBondContact OG-CB 3.49Å; S386-K485 VanDerWaalsContact OG-CD 3.25Å; S386-K485 WeakPolarHBondContact OG-CD 3.34Å
387	E	44.4	Very low	75.7	Confident	83 Å²	83	36.6 Å²	36.6	39%	0.388	18%	0.178	S	C	.	.	S	Bend	trans	-90.1	-12.5	158	-68.4	166.2	174.4	0	0	111.6	T453 K486	E387-T453 WeakPolarHBondContact OE1-CG2 3.32Å; E387-K486 IonicContact OE1-NZ 3.31Å; E387-K486 IonicContact OE2-NZ 3.86Å; E387-K486 PolarHBondContact OE2-NZ 2.88Å
388	A	45.8	Very low	75.5	Confident	11 Å²	11	34.2 Å²	34.2	9%	0.091	17%	0.171	C	C	.	.			trans	-103.1	113.7	-176.4	0	0	0	0	0	111	S386 F390 K485	S386-A388 VanDerWaalsContact OG-C 3.32Å; S386-A388 WeakPolarHBondContact OG-CA 3.31Å; S386-A388 PolarHBondContact OG-N 3.32Å; S386-A388 PolarHBondContact OG-O 3.44Å; A388-F390 PolarHBondContact O-N 3.49Å; A388-K485 WeakPolarHBondContact O-CD 3.2Å
389	D	53.2	Low	75.1	Confident	69 Å²	69	32.9 Å²	32.9	37%	0.369	16%	0.164	S	C	.	.			trans	-78.5	1.6	173.1	-76.4	-38.4	0	0	0	113.7
390	F	60.9	Low	74.6	Confident	150 Å²	150	34.3 Å²	34.3	66%	0.658	17%	0.174	S	C	*	.			trans	-113.1	117.8	-172.4	-54.4	-75.3	0	0	0	111.5	A388 G511 F512	A388-F390 PolarHBondContact O-N 3.49Å; F390-G511 WeakPolarHBondContact O-CA 3.48Å; F390-F512 HydrophobicContact CB-CB 4.41Å; F390-F512 PolarHBondContact O-N 2.75Å
391	L	64.9	Low	74	Confident	33 Å²	33	40.8 Å²	40.8	17%	0.173	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	129.7	164.2	-59.3	172.3	0	0	0	108.1	P441 I483 K485 W509	L391-P441 HydrophobicContact CD1-CG 3.37Å; L391-I483 HydrophobicContact CD1-CG2 3.9Å; L391-I483 HydrophobicContact CD2-CG2 3.83Å; L391-I483 HydrophobicContact CG-CG2 4.49Å; L391-K485 HydrophobicContact CD2-CG 3.84Å; L391-W509 HydrophobicContact CB-CE3 4.04Å; L391-W509 HydrophobicContact CD1-CB 4.1Å; L391-W509 HydrophobicContact CD1-CD2 4.04Å; L391-W509 HydrophobicContact CD1-CE3 3.6Å; L391-W509 HydrophobicContact CD1-CG 4.28Å; L391-W509 HydrophobicContact CD1-CZ3 4.33Å; L391-W509 HydrophobicContact CD2-CB 4.01Å; L391-W509 HydrophobicContact CG-CE3 4.38Å
392	D	70.5	Confident	73.7	Confident	74 Å²	74	44.5 Å²	44.5	40%	0.396	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-42.7	-178.5	-177.5	42.2	0	0	0	111.6	F510 F512	D392-F510 PolarHBondContact N-O 3.3Å; D392-F512 HydrophobicContact CB-CB 4.1Å; D392-F512 HydrophobicContact CB-CD2 4.06Å
393	V	80.9	Confident	73.7	Confident	7 Å²	7	50.3 Å²	50.3	4%	0.042	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	124.6	-172.2	175.1	0	0	0	0	110.6	V395 P409 L412 F510 I519	V393-V395 HydrophobicContact CG1-CG2 3.81Å; V393-P409 HydrophobicContact CG1-CG 3.98Å; V393-L412 HydrophobicContact CG1-CD1 3.64Å; V393-F510 HydrophobicContact CB-CB 4.13Å; V393-F510 HydrophobicContact CB-CD2 4.14Å; V393-F510 HydrophobicContact CG1-CD2 3.88Å; V393-F510 PolarHBondContact N-O 3.45Å; V393-F510 WeakPolarHBondContact O-CD2 3.46Å; V393-F510 PolarHBondContact O-N 3.16Å; V393-I519 HydrophobicContact CB-CD1 3.85Å; V393-I519 HydrophobicContact CG1-CD1 3.96Å; V393-I519 HydrophobicContact CG1-CG2 4.14Å; V393-I519 HydrophobicContact CG2-CD1 3.81Å
394	H	86.7	Confident	74.4	Confident	20 Å²	20	50.9 Å²	50.9	9%	0.093	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	122.3	177.4	176.1	-132.1	0	0	0	110.7	V396 P409 I435 L438 D507 L508 W509	H394-V396 WeakPolarHBondContact CE1-CG2 3.18Å; H394-V396 VanDerWaalsContact NE2-CG2 3.25Å; H394-V396 WeakPolarHBondContact NE2-CG2 3.29Å; H394-P409 VanDerWaalsContact O-CD 3.29Å; H394-P409 WeakPolarHBondContact O-CD 3.22Å; H394-I435 WeakPolarHBondContact ND1-CD1 3.45Å; H394-L438 WeakPolarHBondContact CE1-CD1 3.1Å; H394-L438 VanDerWaalsContact ND1-CD1 3.28Å; H394-L438 WeakPolarHBondContact ND1-CD1 3.23Å; H394-D507 IonicContact CD2-OD1 3.86Å; H394-D507 PolarHBondContact CD2-OD1 2.88Å; H394-D507 VanDerWaalsContact CD2-OD1 3.31Å; H394-D507 IonicContact CE1-OD1 3.86Å; H394-D507 IonicContact NE2-OD1 3.91Å; H394-D507 PolarHBondContact NE2-OD1 2.82Å; H394-D507 IonicContact NE2-OD2 3.3Å; H394-L508 PolarHBondContact CD2-O 3.21Å; H394-W509 HydrophobicContact CB-CD2 4.27Å; H394-W509 HydrophobicContact CB-CE3 3.92Å; H394-W509 HydrophobicContact CB-CH2 4.32Å; H394-W509 HydrophobicContact CB-CZ3 3.94Å; H394-W509 AromaticContact CD2-CD1 3.88Å; H394-W509 AromaticContact CD2-CD2 3.54Å; H394-W509 AromaticContact CD2-CE2 3.22Å; H394-W509 AromaticContact CD2-CG 3.97Å; H394-W509 AromaticContact CD2-CZ2 3.54Å; H394-W509 AromaticContact CD2-NE1 3.39Å; H394-W509 PolarHBondContact CD2-NE1 2.72Å; H394-W509 AromaticContact CE1-CZ2 3.88Å; H394-W509 AromaticContact CG-CE2 3.9Å; H394-W509 AromaticContact CG-CH2 3.94Å; H394-W509 AromaticContact CG-CZ2 3.86Å; H394-W509 AromaticContact NE2-CE2 3.49Å; H394-W509 AromaticContact NE2-CZ2 3.55Å; H394-W509 AromaticContact NE2-NE1 3.48Å; H394-W509 PolarHBondContact NE2-NE1 3.27Å
395	V	89.9	Confident	75.5	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	130.6	-175.4	-178.5	0	0	0	0	109.5	V393 F397 L406 K407 V408 L412 L508 F510 I523	V393-V395 HydrophobicContact CG1-CG2 3.81Å; V395-F397 HydrophobicContact CG1-CD2 4.33Å; V395-F397 HydrophobicContact CG1-CE2 3.8Å; V395-F397 HydrophobicContact CG1-CZ 4.41Å; V395-L406 HydrophobicContact CG1-CD1 3.58Å; V395-K407 CarbonylContact C-O 3.3Å; V395-K407 WeakPolarHBondContact CA-O 3.5Å; V395-V408 HydrophobicContact CG1-CG1 4.02Å; V395-V408 HydrophobicContact CG2-CG1 4.3Å; V395-L412 HydrophobicContact CG2-CD1 4.07Å; V395-L508 HydrophobicContact CB-CB 4.48Å; V395-L508 PolarHBondContact N-O 3.36Å; V395-L508 PolarHBondContact O-N 2.78Å; V395-F510 HydrophobicContact CB-CE2 4.19Å; V395-F510 HydrophobicContact CG2-CD2 4.38Å; V395-F510 HydrophobicContact CG2-CE2 3.88Å; V395-I523 HydrophobicContact CG1-CD1 4.09Å; V395-I523 HydrophobicContact CG1-CG1 4.22Å; V395-I523 HydrophobicContact CG2-CD1 3.98Å
396	V	92.3	Very high	77.3	Confident	16 Å²	16	48.8 Å²	48.8	10%	0.097	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	117.2	-179.6	-175.3	0	0	0	0	110	H394 K407 I435 V505 L506	H394-V396 WeakPolarHBondContact CE1-CG2 3.18Å; H394-V396 VanDerWaalsContact NE2-CG2 3.25Å; H394-V396 WeakPolarHBondContact NE2-CG2 3.29Å; V396-K407 HydrophobicContact CB-CB 4.21Å; V396-K407 PolarHBondContact N-O 3.43Å; V396-K407 PolarHBondContact O-N 3.21Å; V396-I435 HydrophobicContact CB-CD1 4.49Å; V396-I435 HydrophobicContact CG2-CD1 3.97Å; V396-V505 HydrophobicContact CG1-CG1 3.86Å; V396-L506 CarbonylContact C-O 3.58Å; V396-L506 WeakPolarHBondContact CA-O 3.49Å
397	F	94	Very high	79.2	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	128.8	163.6	-56	-108.2	0	0	0	107.8	V395 L405 L406 F430 V505 L506 L508 I523 L526 F530	V395-F397 HydrophobicContact CG1-CD2 4.33Å; V395-F397 HydrophobicContact CG1-CE2 3.8Å; V395-F397 HydrophobicContact CG1-CZ 4.41Å; F397-L405 CarbonylContact C-O 3.15Å; F397-L405 WeakPolarHBondContact CA-O 3.14Å; F397-L406 HydrophobicContact CD1-CD1 4.03Å; F397-L406 HydrophobicContact CD2-CD1 4.34Å; F397-L406 HydrophobicContact CE1-CD1 3.82Å; F397-L406 HydrophobicContact CE2-CD1 4.13Å; F397-L406 HydrophobicContact CG-CD1 4.27Å; F397-L406 HydrophobicContact CZ-CD1 3.86Å; F397-F430 HydrophobicContact CD1-CD1 4.44Å; F397-F430 AromaticContact CD1-CE1 3.71Å; F397-F430 HydrophobicContact CD1-CE1 3.71Å; F397-F430 HydrophobicContact CD1-CZ 4.16Å; F397-F430 HydrophobicContact CE1-CE1 4.41Å; F397-V505 WeakPolarHBondContact O-CA 3.49Å; F397-L506 HydrophobicContact CB-CB 4.11Å; F397-L506 HydrophobicContact CD2-CB 4.35Å; F397-L506 HydrophobicContact CD2-CD2 4.04Å; F397-L506 HydrophobicContact CD2-CG 4.33Å; F397-L506 HydrophobicContact CE2-CD2 4.48Å; F397-L506 PolarHBondContact N-O 2.93Å; F397-L506 PolarHBondContact O-N 2.81Å; F397-L508 HydrophobicContact CD2-CD1 4.47Å; F397-L508 HydrophobicContact CE2-CD1 3.93Å; F397-I523 HydrophobicContact CZ-CB 4.41Å; F397-I523 HydrophobicContact CZ-CG1 4.33Å; F397-I523 HydrophobicContact CZ-CG2 4.11Å; F397-L526 HydrophobicContact CE1-CB 4.09Å; F397-L526 HydrophobicContact CE2-CB 4.44Å; F397-L526 HydrophobicContact CE2-CD1 4.15Å; F397-L526 HydrophobicContact CZ-CB 3.81Å; F397-L526 HydrophobicContact CZ-CD1 4.23Å; F397-F530 HydrophobicContact CB-CD1 4.1Å; F397-F530 HydrophobicContact CB-CD2 4.42Å; F397-F530 HydrophobicContact CB-CE1 3.85Å; F397-F530 HydrophobicContact CB-CE2 4.17Å; F397-F530 HydrophobicContact CB-CG 4.38Å; F397-F530 HydrophobicContact CB-CZ 3.89Å; F397-F530 HydrophobicContact CD1-CD1 4.5Å
398	K	93.5	Very high	81.4	Confident	86 Å²	86	47 Å²	47	37%	0.374	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	132.8	177.9	175.6	174.3	-178.1	-178.3	0	109.9	L405 E504 V505	K398-L405 HydrophobicContact CB-CB 4.25Å; K398-L405 HydrophobicContact CB-CD2 4.41Å; K398-L405 HydrophobicContact CD-CD2 4.43Å; K398-L405 PolarHBondContact N-O 3.27Å; K398-L405 WeakPolarHBondContact O-CB 2.96Å; K398-L405 PolarHBondContact O-N 3.48Å; K398-E504 CarbonylContact C-O 3.58Å; K398-E504 WeakPolarHBondContact CA-O 3.43Å; K398-V505 HydrophobicContact CG-CG2 4.3Å
399	R	89.5	Confident	83.3	Confident	31 Å²	31	47.6 Å²	47.6	12%	0.117	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	137.6	168.5	-61.6	-165.1	173.4	158.9	-23.6	110.5	L500 H501 I503 E504 F530 R531	R399-L500 PolarHBondContact NH1-O 3.14Å; R399-L500 PolarHBondContact NH2-O 2.89Å; R399-H501 PolarHBondContact NH1-O 2.82Å; R399-I503 WeakPolarHBondContact CD-O 3.1Å; R399-I503 PolarHBondContact NH1-O 3Å; R399-E504 PolarHBondContact N-O 2.98Å; R399-F530 HydrophobicContact CG-CD1 4.35Å; R399-F530 HydrophobicContact CG-CE1 3.38Å; R399-F530 HydrophobicContact CG-CZ 3.68Å; R399-F530 PolarHBondContact NE-O 2.91Å; R399-F530 PolarHBondContact NH2-O 2.96Å; R399-R531 PolarHBondContact NH2-O 2.86Å
400	S	84.1	Confident	84.7	Confident	31 Å²	31	46.2 Å²	46.2	22%	0.217	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	157.1	172.6	-64.1	0	0	0	0	107.9	G402 Y403	S400-G402 PolarHBondContact O-N 3.06Å; S400-Y403 CarbonylContact C-O 3.59Å; S400-Y403 WeakPolarHBondContact CA-O 3.24Å; S400-Y403 PolarHBondContact N-O 2.92Å; S400-Y403 PolarHBondContact O-N 3.45Å
401	T	80.7	Confident	85.8	Confident	141 Å²	141	46.4 Å²	46.4	87%	0.865	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	112.1	177.1	47	0	0	0	0	109.9
402	G	81.2	Confident	86.8	Confident	81 Å²	81	44.9 Å²	44.9	84%	0.835	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.4	-4.2	176.6	0	0	0	0	0	116.8	S400	S400-G402 PolarHBondContact O-N 3.06Å
403	Y	85.1	Confident	87.6	Confident	121 Å²	121	44 Å²	44	48%	0.475	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	155.5	175.6	62.9	-85.3	0	0	0	112.7	S400 L405 V431	S400-Y403 CarbonylContact C-O 3.59Å; S400-Y403 WeakPolarHBondContact CA-O 3.24Å; S400-Y403 PolarHBondContact N-O 2.92Å; S400-Y403 PolarHBondContact O-N 3.45Å; Y403-L405 HydrophobicContact CE2-CB 4.43Å; Y403-V431 HydrophobicContact CD2-CB 4.28Å; Y403-V431 HydrophobicContact CD2-CG2 3.77Å; Y403-V431 HydrophobicContact CE2-CG2 4.36Å; Y403-V431 HydrophobicContact CG-CG2 4.32Å
404	N	89.8	Confident	87.8	Confident	18 Å²	18	49.6 Å²	49.6	10%	0.096	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	139.1	170.3	-62.9	-48.8	0	0	0	110.5	F430 V431	N404-F430 HydrophobicContact CB-CD1 3.48Å; N404-F430 VanDerWaalsContact CB-CD1 3.48Å; N404-F430 HydrophobicContact CB-CD2 4.48Å; N404-F430 HydrophobicContact CB-CE1 3.34Å; N404-F430 HydrophobicContact CB-CE2 4.34Å; N404-F430 HydrophobicContact CB-CG 4.07Å; N404-F430 HydrophobicContact CB-CZ 3.8Å; N404-F430 CarbonylContact O-C 3.52Å; N404-F430 WeakPolarHBondContact O-CA 3.46Å; N404-V431 PolarHBondContact O-N 3.21Å
405	L	91.6	Very high	87.6	Confident	21 Å²	21	51.1 Å²	51.1	11%	0.11	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	128.2	-179	-176.8	75.5	0	0	0	109	F397 K398 Y403 K407 V431 C433	F397-L405 CarbonylContact C-O 3.15Å; F397-L405 WeakPolarHBondContact CA-O 3.14Å; K398-L405 HydrophobicContact CB-CB 4.25Å; K398-L405 HydrophobicContact CB-CD2 4.41Å; K398-L405 HydrophobicContact CD-CD2 4.43Å; K398-L405 PolarHBondContact N-O 3.27Å; K398-L405 WeakPolarHBondContact O-CB 2.96Å; K398-L405 PolarHBondContact O-N 3.48Å; Y403-L405 HydrophobicContact CE2-CB 4.43Å; L405-K407 HydrophobicContact CD2-CD 4.23Å; L405-K407 HydrophobicContact CD2-CG 3.85Å; L405-K407 HydrophobicContact CG-CG 4Å; L405-V431 WeakPolarHBondContact CA-O 3.35Å; L405-V431 HydrophobicContact CD1-CB 4.02Å; L405-V431 HydrophobicContact CD1-CG1 3.97Å; L405-V431 WeakPolarHBondContact CD1-O 3.15Å; L405-C433 HydrophobicContact CD1-CB 4.28Å; L405-C433 VanDerWaalsContact CD1-SG 3.54Å
406	L	93	Very high	87.4	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	110.7	172.1	175.2	62.6	0	0	0	108.3	V395 F397 V408 F416 L427 F430 V431 I432 C433 I523	V395-L406 HydrophobicContact CG1-CD1 3.58Å; F397-L406 HydrophobicContact CD1-CD1 4.03Å; F397-L406 HydrophobicContact CD2-CD1 4.34Å; F397-L406 HydrophobicContact CE1-CD1 3.82Å; F397-L406 HydrophobicContact CE2-CD1 4.13Å; F397-L406 HydrophobicContact CG-CD1 4.27Å; F397-L406 HydrophobicContact CZ-CD1 3.86Å; L406-V408 HydrophobicContact CD1-CG1 4.01Å; L406-V408 HydrophobicContact CD2-CG1 4.19Å; L406-V408 HydrophobicContact CG-CG1 3.84Å; L406-F416 HydrophobicContact CD2-CE2 4.47Å; L406-L427 HydrophobicContact CD2-CD1 3.46Å; L406-L427 VanDerWaalsContact CD2-CD1 3.46Å; L406-F430 HydrophobicContact CB-CB 3.9Å; L406-F430 HydrophobicContact CB-CD1 3.83Å; L406-F430 HydrophobicContact CB-CG 4.18Å; L406-V431 PolarHBondContact N-O 3.35Å; L406-I432 HydrophobicContact CD2-CG1 4.37Å; L406-I432 CarbonylContact O-C 3.55Å; L406-I432 VanDerWaalsContact O-CA 3.26Å; L406-I432 WeakPolarHBondContact O-CA 3.39Å; L406-C433 PolarHBondContact O-N 3.37Å; L406-I523 HydrophobicContact CD1-CG2 4.34Å; L406-I523 HydrophobicContact CD2-CG2 3.71Å
407	K	92	Very high	86.7	Confident	77 Å²	77	53.2 Å²	53.2	34%	0.335	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	130.6	174.3	-46.6	-175.4	172.2	-176.8	0	110.5	V395 V396 L405 C433 I435	V395-K407 CarbonylContact C-O 3.3Å; V395-K407 WeakPolarHBondContact CA-O 3.5Å; V396-K407 HydrophobicContact CB-CB 4.21Å; V396-K407 PolarHBondContact N-O 3.43Å; V396-K407 PolarHBondContact O-N 3.21Å; L405-K407 HydrophobicContact CD2-CD 4.23Å; L405-K407 HydrophobicContact CD2-CG 3.85Å; L405-K407 HydrophobicContact CG-CG 4Å; K407-C433 CarbonylContact C-O 3.59Å; K407-C433 VanDerWaalsContact CA-O 3.27Å; K407-C433 WeakPolarHBondContact CA-O 3.28Å; K407-C433 HydrophobicContact CG-CB 4.43Å; K407-I435 HydrophobicContact CB-CD1 3.53Å; K407-I435 HydrophobicContact CB-CG1 3.29Å; K407-I435 HydrophobicContact CD-CG1 4.22Å; K407-I435 HydrophobicContact CG-CG1 4.4Å
408	V	90	Very high	85.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	157.3	-172.4	-72.6	0	0	0	0	111.1	V395 L406 L412 F413 F416 I432 C433 E434 I435	V395-V408 HydrophobicContact CG1-CG1 4.02Å; V395-V408 HydrophobicContact CG2-CG1 4.3Å; L406-V408 HydrophobicContact CD1-CG1 4.01Å; L406-V408 HydrophobicContact CD2-CG1 4.19Å; L406-V408 HydrophobicContact CG-CG1 3.84Å; V408-L412 HydrophobicContact CB-CB 3.94Å; V408-L412 HydrophobicContact CG1-CB 4.41Å; V408-L412 HydrophobicContact CG1-CD1 4.48Å; V408-L412 HydrophobicContact CG2-CB 4.4Å; V408-F413 HydrophobicContact CG2-CB 3.94Å; V408-F413 HydrophobicContact CG2-CD2 4.3Å; V408-F416 HydrophobicContact CG1-CD2 4.43Å; V408-F416 HydrophobicContact CG1-CE2 4.08Å; V408-F416 HydrophobicContact CG2-CD2 4.48Å; V408-I432 HydrophobicContact CG2-CG2 3.56Å; V408-C433 PolarHBondContact N-O 2.82Å; V408-E434 CarbonylContact O-C 3.45Å; V408-E434 VanDerWaalsContact O-CA 3.31Å; V408-E434 WeakPolarHBondContact O-CA 3.19Å; V408-I435 PolarHBondContact O-N 3.22Å
409	P	85.8	Confident	84.5	Confident	23 Å²	23	63.5 Å²	63.5	15%	0.149	32%	0.319	C	S	.	.			trans	-69.6	163.6	176.3	31.2	-37.4	0	0	0	111.6	V393 H394 R411 L412 F413	V393-P409 HydrophobicContact CG1-CG 3.98Å; H394-P409 VanDerWaalsContact O-CD 3.29Å; H394-P409 WeakPolarHBondContact O-CD 3.22Å; P409-R411 PolarHBondContact O-N 2.68Å; P409-L412 HydrophobicContact CG-CB 4.16Å; P409-L412 HydrophobicContact CG-CD1 4.13Å; P409-L412 HydrophobicContact CG-CG 4.14Å; P409-L412 PolarHBondContact O-N 3.28Å; P409-L412 VanDerWaalsContact O-N 3.07Å; P409-F413 PolarHBondContact O-N 2.98Å
410	P	82.4	Confident	83	Confident	40 Å²	40	67.7 Å²	67.7	26%	0.26	34%	0.344	S	S	.	.	H	α-helix	trans	-52.5	-35.6	-176.1	-20.5	22.4	0	0	0	114.2	K414 E434	P410-K414 WeakPolarHBondContact O-CB 3.35Å; P410-K414 VanDerWaalsContact O-CG 3.29Å; P410-K414 WeakPolarHBondContact O-CG 3.19Å; P410-K414 PolarHBondContact O-N 2.97Å; P410-E434 HydrophobicContact CB-CG 4.3Å; P410-E434 VanDerWaalsContact CB-OE1 3.28Å; P410-E434 WeakPolarHBondContact CB-OE1 3.31Å; P410-E434 HydrophobicContact CG-CG 4.11Å; P410-E434 WeakPolarHBondContact CG-OE1 2.99Å
411	R	83.8	Confident	81.7	Confident	154 Å²	154	77.9 Å²	77.9	58%	0.581	38%	0.377	S	S	*	.	H	α-helix	trans	-65	-49.5	179.6	-174.3	179	178.9	-178.5	-0.3	111.9	P409 M415	P409-R411 PolarHBondContact O-N 2.68Å; R411-M415 WeakPolarHBondContact O-CG 3.41Å; R411-M415 PolarHBondContact O-N 2.95Å
412	L	87	Confident	81	Confident	2 Å²	2	78.3 Å²	78.3	1%	0.01	37%	0.374	C	S	.	.	H	α-helix	trans	-70.6	-38.4	177.6	-75.5	-176	0	0	0	111.5	V393 V395 V408 P409 K414 M415 F416 V516 I519 T520 I523	V393-L412 HydrophobicContact CG1-CD1 3.64Å; V395-L412 HydrophobicContact CG2-CD1 4.07Å; V408-L412 HydrophobicContact CB-CB 3.94Å; V408-L412 HydrophobicContact CG1-CB 4.41Å; V408-L412 HydrophobicContact CG1-CD1 4.48Å; V408-L412 HydrophobicContact CG2-CB 4.4Å; P409-L412 HydrophobicContact CG-CB 4.16Å; P409-L412 HydrophobicContact CG-CD1 4.13Å; P409-L412 HydrophobicContact CG-CG 4.14Å; P409-L412 PolarHBondContact O-N 3.28Å; P409-L412 VanDerWaalsContact O-N 3.07Å; L412-K414 VanDerWaalsContact C-N 3.33Å; L412-K414 PolarHBondContact O-N 2.7Å; L412-M415 HydrophobicContact CD2-SD 4.4Å; L412-M415 PolarHBondContact O-N 3.33Å; L412-M415 VanDerWaalsContact O-N 3.09Å; L412-F416 HydrophobicContact CB-CD2 4.38Å; L412-F416 HydrophobicContact CB-CE2 4.12Å; L412-F416 HydrophobicContact CD2-CZ 4.46Å; L412-F416 WeakPolarHBondContact O-CD2 3.33Å; L412-F416 WeakPolarHBondContact O-CG 3.4Å; L412-F416 PolarHBondContact O-N 2.81Å; L412-V516 HydrophobicContact CD2-CG1 3.68Å; L412-I519 HydrophobicContact CD1-CG2 3.9Å; L412-T520 HydrophobicContact CD2-CG2 3.7Å; L412-I523 HydrophobicContact CD1-CD1 3.85Å
413	F	86.3	Confident	80.4	Confident	54 Å²	54	76 Å²	76	24%	0.237	34%	0.342	C	S	.	.	H	α-helix	trans	-54.9	-49.6	174.5	-176.3	-105	0	0	0	111.3	V408 P409 M415 F416 T417 I432 E434	V408-F413 HydrophobicContact CG2-CB 3.94Å; V408-F413 HydrophobicContact CG2-CD2 4.3Å; P409-F413 PolarHBondContact O-N 2.98Å; F413-M415 VanDerWaalsContact C-N 3.31Å; F413-M415 PolarHBondContact O-N 3.07Å; F413-F416 PolarHBondContact O-N 3.41Å; F413-T417 HydrophobicContact CD1-CG2 4.41Å; F413-T417 HydrophobicContact CD2-CG2 4.16Å; F413-T417 HydrophobicContact CE1-CG2 4.06Å; F413-T417 HydrophobicContact CE2-CG2 3.78Å; F413-T417 HydrophobicContact CG-CG2 4.45Å; F413-T417 HydrophobicContact CZ-CG2 3.73Å; F413-T417 WeakPolarHBondContact O-CB 3.36Å; F413-T417 VanDerWaalsContact O-CG2 3.29Å; F413-T417 WeakPolarHBondContact O-CG2 3.24Å; F413-T417 PolarHBondContact O-N 2.92Å; F413-T417 PolarHBondContact O-OG1 2.82Å; F413-I432 HydrophobicContact CD2-CG2 3.89Å; F413-I432 HydrophobicContact CE2-CG2 4.3Å; F413-E434 HydrophobicContact CB-CB 4.4Å; F413-E434 HydrophobicContact CB-CG 4.45Å; F413-E434 HydrophobicContact CD1-CB 4.35Å; F413-E434 WeakPolarHBondContact CD1-OE2 3.49Å; F413-E434 HydrophobicContact CD2-CB 4.27Å; F413-E434 HydrophobicContact CG-CB 4.08Å
414	K	84.8	Confident	80	Confident	126 Å²	126	71.5 Å²	71.5	55%	0.548	33%	0.328	S	S	.	.	H	α-helix	trans	-61.8	-36.3	176.2	-74.3	172.4	-175.7	174.5	0	112.9	P410 L412 T417 K418	P410-K414 WeakPolarHBondContact O-CB 3.35Å; P410-K414 VanDerWaalsContact O-CG 3.29Å; P410-K414 WeakPolarHBondContact O-CG 3.19Å; P410-K414 PolarHBondContact O-N 2.97Å; L412-K414 VanDerWaalsContact C-N 3.33Å; L412-K414 PolarHBondContact O-N 2.7Å; K414-T417 PolarHBondContact O-OG1 2.94Å; K414-K418 VanDerWaalsContact O-CB 3.25Å; K414-K418 WeakPolarHBondContact O-CB 3.27Å; K414-K418 WeakPolarHBondContact O-CG 3.31Å; K414-K418 PolarHBondContact O-N 3.12Å; K414-K418 VanDerWaalsContact O-N 3.09Å
415	M	83.9	Confident	79.6	Confident	52 Å²	52	75.6 Å²	75.6	26%	0.256	36%	0.356	S	S	.	.	H	α-helix	trans	-67.7	-53.6	177.8	-73.7	178.3	62.2	0	0	111.3	R411 L412 F413 T417 K418 W419 V516 T520	R411-M415 WeakPolarHBondContact O-CG 3.41Å; R411-M415 PolarHBondContact O-N 2.95Å; L412-M415 HydrophobicContact CD2-SD 4.4Å; L412-M415 PolarHBondContact O-N 3.33Å; L412-M415 VanDerWaalsContact O-N 3.09Å; F413-M415 VanDerWaalsContact C-N 3.31Å; F413-M415 PolarHBondContact O-N 3.07Å; M415-T417 VanDerWaalsContact C-N 3.34Å; M415-T417 PolarHBondContact O-N 3.07Å; M415-K418 PolarHBondContact O-N 2.79Å; M415-W419 HydrophobicContact CE-CH2 4.28Å; M415-W419 HydrophobicContact CE-CZ2 4.35Å; M415-W419 WeakPolarHBondContact O-CB 2.95Å; M415-W419 PolarHBondContact O-N 2.82Å; M415-V516 HydrophobicContact CE-CG1 3.92Å; M415-V516 HydrophobicContact SD-CG1 3.6Å; M415-T520 HydrophobicContact CE-CG2 4.08Å
416	F	84.2	Confident	79.2	Confident	0 Å²	0	77.5 Å²	77.5	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-63.6	-38.6	-178.8	-64.3	-38.3	0	0	0	112.6	L406 V408 L412 F413 W419 M423 L427 I432 T520 I523	L406-F416 HydrophobicContact CD2-CE2 4.47Å; V408-F416 HydrophobicContact CG1-CD2 4.43Å; V408-F416 HydrophobicContact CG1-CE2 4.08Å; V408-F416 HydrophobicContact CG2-CD2 4.48Å; L412-F416 HydrophobicContact CB-CD2 4.38Å; L412-F416 HydrophobicContact CB-CE2 4.12Å; L412-F416 HydrophobicContact CD2-CZ 4.46Å; L412-F416 WeakPolarHBondContact O-CD2 3.33Å; L412-F416 WeakPolarHBondContact O-CG 3.4Å; L412-F416 PolarHBondContact O-N 2.81Å; F413-F416 PolarHBondContact O-N 3.41Å; F416-W419 PolarHBondContact O-N 2.98Å; F416-M423 HydrophobicContact CB-CE 4.31Å; F416-M423 WeakPolarHBondContact O-CE 3.38Å; F416-L427 HydrophobicContact CB-CD2 4.14Å; F416-L427 HydrophobicContact CD1-CD2 3.46Å; F416-L427 VanDerWaalsContact CD1-CD2 3.46Å; F416-L427 HydrophobicContact CD2-CD2 4.48Å; F416-L427 HydrophobicContact CE1-CD2 3.88Å; F416-L427 HydrophobicContact CG-CD2 3.8Å; F416-I432 HydrophobicContact CB-CD1 3.76Å; F416-I432 HydrophobicContact CD2-CD1 4.43Å; F416-I432 HydrophobicContact CG-CD1 4.36Å; F416-T520 HydrophobicContact CE1-CG2 3.7Å; F416-T520 HydrophobicContact CZ-CG2 3.82Å; F416-I523 HydrophobicContact CE2-CD1 3.89Å; F416-I523 HydrophobicContact CE2-CG2 4.19Å; F416-I523 HydrophobicContact CZ-CB 4.25Å; F416-I523 HydrophobicContact CZ-CD1 3.8Å; F416-I523 HydrophobicContact CZ-CG2 3.96Å
417	T	77.5	Confident	78.6	Confident	60 Å²	60	77.6 Å²	77.6	37%	0.368	37%	0.366	S	S	.	.	H	α-helix	trans	-75	-30	178.1	54.8	0	0	0	0	113.7	F413 K414 M415	F413-T417 HydrophobicContact CD1-CG2 4.41Å; F413-T417 HydrophobicContact CD2-CG2 4.16Å; F413-T417 HydrophobicContact CE1-CG2 4.06Å; F413-T417 HydrophobicContact CE2-CG2 3.78Å; F413-T417 HydrophobicContact CG-CG2 4.45Å; F413-T417 HydrophobicContact CZ-CG2 3.73Å; F413-T417 WeakPolarHBondContact O-CB 3.36Å; F413-T417 VanDerWaalsContact O-CG2 3.29Å; F413-T417 WeakPolarHBondContact O-CG2 3.24Å; F413-T417 PolarHBondContact O-N 2.92Å; F413-T417 PolarHBondContact O-OG1 2.82Å; K414-T417 PolarHBondContact O-OG1 2.94Å; M415-T417 VanDerWaalsContact C-N 3.34Å; M415-T417 PolarHBondContact O-N 3.07Å
418	K	77.6	Confident	78.1	Confident	171 Å²	171	77 Å²	77	74%	0.743	38%	0.376	S	S	*	.	H	α-helix	trans	-70.9	-32.8	171.6	-78.7	178.8	179.5	-173.1	0	112.3	K414 M415 N420	K414-K418 VanDerWaalsContact O-CB 3.25Å; K414-K418 WeakPolarHBondContact O-CB 3.27Å; K414-K418 WeakPolarHBondContact O-CG 3.31Å; K414-K418 PolarHBondContact O-N 3.12Å; K414-K418 VanDerWaalsContact O-N 3.09Å; M415-K418 PolarHBondContact O-N 2.79Å; K418-N420 PolarHBondContact O-N 3.09Å
419	W	64.2	Low	77.7	Confident	130 Å²	130	79.2 Å²	79.2	49%	0.492	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	10.6	178.9	-71.7	-0.6	0	0	0	114.3	M415 F416 R421 N422 M423	M415-W419 HydrophobicContact CE-CH2 4.28Å; M415-W419 HydrophobicContact CE-CZ2 4.35Å; M415-W419 WeakPolarHBondContact O-CB 2.95Å; M415-W419 PolarHBondContact O-N 2.82Å; F416-W419 PolarHBondContact O-N 2.98Å; W419-R421 PolarHBondContact O-N 3Å; W419-N422 CarbonylContact O-C 3.22Å; W419-N422 PolarHBondContact O-N 3.05Å; W419-M423 PolarHBondContact O-N 2.98Å
420	N	59.1	Low	77.8	Confident	119 Å²	119	78.7 Å²	78.7	64%	0.636	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-27.7	-173.8	-144.2	10	0	0	0	114.7	K418	K418-N420 PolarHBondContact O-N 3.09Å
421	R	56.8	Low	78.1	Confident	245 Å²	245	80.1 Å²	80.1	93%	0.925	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-26.3	176.7	-68.7	-172.5	177.8	-178.5	-1.2	115	W419	W419-R421 PolarHBondContact O-N 3Å
422	N	64.6	Low	78.3	Confident	150 Å²	150	74.2 Å²	74.2	80%	0.802	37%	0.374	S	S	*	.	S	Bend	trans	-119.1	17.8	-178.8	-66	-9.3	0	0	0	111.5	W419 S424	W419-N422 CarbonylContact O-C 3.22Å; W419-N422 PolarHBondContact O-N 3.05Å; N422-S424 PolarHBondContact O-N 3.16Å
423	M	68.8	Low	78.3	Confident	33 Å²	33	76.3 Å²	76.3	16%	0.163	39%	0.388	C	S	.	.			trans	-64.1	132.1	-178.8	-174.2	174.4	-73.9	0	0	109.1	F416 W419 L427 A428 I432	F416-M423 HydrophobicContact CB-CE 4.31Å; F416-M423 WeakPolarHBondContact O-CE 3.38Å; W419-M423 PolarHBondContact O-N 2.98Å; M423-L427 HydrophobicContact CE-CD2 3.97Å; M423-L427 HydrophobicContact CE-CG 4.18Å; M423-L427 HydrophobicContact CG-CB 3.73Å; M423-L427 HydrophobicContact CG-CD2 3.88Å; M423-L427 HydrophobicContact CG-CG 3.91Å; M423-L427 HydrophobicContact SD-CB 4.04Å; M423-L427 HydrophobicContact SD-CD2 4.08Å; M423-L427 HydrophobicContact SD-CG 3.77Å; M423-A428 HydrophobicContact CG-CB 4.39Å; M423-A428 HydrophobicContact SD-CB 4.1Å; M423-I432 HydrophobicContact CE-CD1 3.82Å; M423-I432 HydrophobicContact SD-CD1 4.46Å
424	S	77.6	Confident	78.2	Confident	26 Å²	26	78.6 Å²	78.6	18%	0.182	40%	0.4	C	S	.	.			trans	-57.1	142.2	174.3	66.4	0	0	0	0	109.9	N422 L426 L427 A428	N422-S424 PolarHBondContact O-N 3.16Å; S424-L426 PolarHBondContact O-N 3.27Å; S424-L427 PolarHBondContact O-N 3.21Å; S424-L427 WeakPolarHBondContact OG-CB 3.32Å; S424-L427 PolarHBondContact OG-N 2.84Å; S424-A428 PolarHBondContact O-N 3.06Å
425	P	80.2	Confident	78	Confident	105 Å²	105	73.7 Å²	73.7	68%	0.682	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-24.9	176.1	-26.8	34.3	0	0	0	113.1	R531	P425-R531 PolarHBondContact O-NH2 3.15Å
426	L	82.8	Confident	77.2	Confident	60 Å²	60	79.1 Å²	79.1	31%	0.314	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-52.4	175.1	-59.6	-178.7	0	0	0	111.7	S424 A428 S429 C527	S424-L426 PolarHBondContact O-N 3.27Å; L426-A428 VanDerWaalsContact C-N 3.32Å; L426-A428 PolarHBondContact O-N 3.31Å; L426-S429 PolarHBondContact O-N 2.95Å; L426-S429 PolarHBondContact O-OG 3.37Å; L426-C527 HydrophobicContact CB-CB 4.21Å
427	L	82.4	Confident	75.9	Confident	2 Å²	2	84.5 Å²	84.5	1%	0.01	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	-67.1	-34.8	179.5	-173.7	62	0	0	0	111.9	L406 F416 M423 S424 S429 F430 I432 I523	L406-L427 HydrophobicContact CD2-CD1 3.46Å; L406-L427 VanDerWaalsContact CD2-CD1 3.46Å; F416-L427 HydrophobicContact CB-CD2 4.14Å; F416-L427 HydrophobicContact CD1-CD2 3.46Å; F416-L427 VanDerWaalsContact CD1-CD2 3.46Å; F416-L427 HydrophobicContact CD2-CD2 4.48Å; F416-L427 HydrophobicContact CE1-CD2 3.88Å; F416-L427 HydrophobicContact CG-CD2 3.8Å; M423-L427 HydrophobicContact CE-CD2 3.97Å; M423-L427 HydrophobicContact CE-CG 4.18Å; M423-L427 HydrophobicContact CG-CB 3.73Å; M423-L427 HydrophobicContact CG-CD2 3.88Å; M423-L427 HydrophobicContact CG-CG 3.91Å; M423-L427 HydrophobicContact SD-CB 4.04Å; M423-L427 HydrophobicContact SD-CD2 4.08Å; M423-L427 HydrophobicContact SD-CG 3.77Å; S424-L427 PolarHBondContact O-N 3.21Å; S424-L427 WeakPolarHBondContact OG-CB 3.32Å; S424-L427 PolarHBondContact OG-N 2.84Å; L427-S429 PolarHBondContact O-N 3.04Å; L427-S429 VanDerWaalsContact O-N 3.12Å; L427-F430 PolarHBondContact O-N 3.15Å; L427-I432 HydrophobicContact CD1-CD1 3.95Å; L427-I432 HydrophobicContact CD2-CD1 4.28Å; L427-I432 HydrophobicContact CG-CD1 3.96Å; L427-I523 HydrophobicContact CD1-CG2 4.25Å
428	A	80.1	Confident	74.8	Confident	65 Å²	65	86 Å²	86	54%	0.537	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-61.6	-19.7	176.4	0	0	0	0	0	113.8	M423 S424 L426 F430	M423-A428 HydrophobicContact CG-CB 4.39Å; M423-A428 HydrophobicContact SD-CB 4.1Å; S424-A428 PolarHBondContact O-N 3.06Å; L426-A428 VanDerWaalsContact C-N 3.32Å; L426-A428 PolarHBondContact O-N 3.31Å; A428-F430 PolarHBondContact O-N 3.2Å
429	S	82.6	Confident	73.5	Confident	46 Å²	46	88.5 Å²	88.5	32%	0.322	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-79.5	-1.1	175.7	65	0	0	0	0	114.6	L426 L427 R531	L426-S429 PolarHBondContact O-N 2.95Å; L426-S429 PolarHBondContact O-OG 3.37Å; L427-S429 PolarHBondContact O-N 3.04Å; L427-S429 VanDerWaalsContact O-N 3.12Å; S429-R531 VanDerWaalsContact CB-NH2 3.3Å; S429-R531 PolarHBondContact OG-NE 3.05Å; S429-R531 PolarHBondContact OG-NH2 3Å
430	F	87.6	Confident	72.7	Confident	13 Å²	13	85.5 Å²	85.5	6%	0.057	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	140.3	177.4	-74.6	-107.2	0	0	0	111.2	F397 N404 L406 L427 A428 I432 C527 F530	F397-F430 HydrophobicContact CD1-CD1 4.44Å; F397-F430 AromaticContact CD1-CE1 3.71Å; F397-F430 HydrophobicContact CD1-CE1 3.71Å; F397-F430 HydrophobicContact CD1-CZ 4.16Å; F397-F430 HydrophobicContact CE1-CE1 4.41Å; N404-F430 HydrophobicContact CB-CD1 3.48Å; N404-F430 VanDerWaalsContact CB-CD1 3.48Å; N404-F430 HydrophobicContact CB-CD2 4.48Å; N404-F430 HydrophobicContact CB-CE1 3.34Å; N404-F430 HydrophobicContact CB-CE2 4.34Å; N404-F430 HydrophobicContact CB-CG 4.07Å; N404-F430 HydrophobicContact CB-CZ 3.8Å; N404-F430 CarbonylContact O-C 3.52Å; N404-F430 WeakPolarHBondContact O-CA 3.46Å; L406-F430 HydrophobicContact CB-CB 3.9Å; L406-F430 HydrophobicContact CB-CD1 3.83Å; L406-F430 HydrophobicContact CB-CG 4.18Å; L427-F430 PolarHBondContact O-N 3.15Å; A428-F430 PolarHBondContact O-N 3.2Å; F430-I432 PolarHBondContact O-N 2.95Å; F430-C527 HydrophobicContact CD2-CB 4.04Å; F430-C527 HydrophobicContact CE2-CB 3.62Å; F430-C527 WeakPolarHBondContact CE2-O 3.31Å; F430-C527 HydrophobicContact CZ-CB 4.26Å; F430-F530 HydrophobicContact CE1-CD1 4.04Å; F430-F530 HydrophobicContact CZ-CB 4.35Å; F430-F530 HydrophobicContact CZ-CD1 4.04Å
431	V	87.8	Confident	72.1	Confident	70 Å²	70	82.4 Å²	82.4	42%	0.424	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	113.6	162.1	179.4	0	0	0	0	107.4	Y403 N404 L405 L406	Y403-V431 HydrophobicContact CD2-CB 4.28Å; Y403-V431 HydrophobicContact CD2-CG2 3.77Å; Y403-V431 HydrophobicContact CE2-CG2 4.36Å; Y403-V431 HydrophobicContact CG-CG2 4.32Å; N404-V431 PolarHBondContact O-N 3.21Å; L405-V431 WeakPolarHBondContact CA-O 3.35Å; L405-V431 HydrophobicContact CD1-CB 4.02Å; L405-V431 HydrophobicContact CD1-CG1 3.97Å; L405-V431 WeakPolarHBondContact CD1-O 3.15Å; L406-V431 PolarHBondContact N-O 3.35Å
432	I	87.7	Confident	71.8	Confident	29 Å²	29	71.6 Å²	71.6	15%	0.149	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	124.7	179.9	-48.3	-177.6	0	0	0	109.4	L406 V408 F413 F416 M423 L427 F430	L406-I432 HydrophobicContact CD2-CG1 4.37Å; L406-I432 CarbonylContact O-C 3.55Å; L406-I432 VanDerWaalsContact O-CA 3.26Å; L406-I432 WeakPolarHBondContact O-CA 3.39Å; V408-I432 HydrophobicContact CG2-CG2 3.56Å; F413-I432 HydrophobicContact CD2-CG2 3.89Å; F413-I432 HydrophobicContact CE2-CG2 4.3Å; F416-I432 HydrophobicContact CB-CD1 3.76Å; F416-I432 HydrophobicContact CD2-CD1 4.43Å; F416-I432 HydrophobicContact CG-CD1 4.36Å; M423-I432 HydrophobicContact CE-CD1 3.82Å; M423-I432 HydrophobicContact SD-CD1 4.46Å; L427-I432 HydrophobicContact CD1-CD1 3.95Å; L427-I432 HydrophobicContact CD2-CD1 4.28Å; L427-I432 HydrophobicContact CG-CD1 3.96Å; F430-I432 PolarHBondContact O-N 2.95Å
433	C	87.2	Confident	70.6	Confident	46 Å²	46	73.7 Å²	73.7	31%	0.311	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	147.6	176.5	-69.6	0	0	0	0	111.7	L405 L406 K407 V408	L405-C433 HydrophobicContact CD1-CB 4.28Å; L405-C433 VanDerWaalsContact CD1-SG 3.54Å; L406-C433 PolarHBondContact O-N 3.37Å; K407-C433 CarbonylContact C-O 3.59Å; K407-C433 VanDerWaalsContact CA-O 3.27Å; K407-C433 WeakPolarHBondContact CA-O 3.28Å; K407-C433 HydrophobicContact CG-CB 4.43Å; V408-C433 PolarHBondContact N-O 2.82Å
434	E	84.6	Confident	69.1	Low	102 Å²	102	75.2 Å²	75.2	48%	0.477	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	130.1	171.5	-168	171.9	150.7	0	0	110.2	V408 P410 F413	V408-E434 CarbonylContact O-C 3.45Å; V408-E434 VanDerWaalsContact O-CA 3.31Å; V408-E434 WeakPolarHBondContact O-CA 3.19Å; P410-E434 HydrophobicContact CB-CG 4.3Å; P410-E434 VanDerWaalsContact CB-OE1 3.28Å; P410-E434 WeakPolarHBondContact CB-OE1 3.31Å; P410-E434 HydrophobicContact CG-CG 4.11Å; P410-E434 WeakPolarHBondContact CG-OE1 2.99Å; F413-E434 HydrophobicContact CB-CB 4.4Å; F413-E434 HydrophobicContact CB-CG 4.45Å; F413-E434 HydrophobicContact CD1-CB 4.35Å; F413-E434 WeakPolarHBondContact CD1-OE2 3.49Å; F413-E434 HydrophobicContact CD2-CB 4.27Å; F413-E434 HydrophobicContact CG-CB 4.08Å
435	I	79.7	Confident	67	Low	23 Å²	23	81 Å²	81	12%	0.118	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-88.2	138.3	166.5	-49.7	176.8	0	0	0	107.6	H394 V396 K407 V408 L438	H394-I435 WeakPolarHBondContact ND1-CD1 3.45Å; V396-I435 HydrophobicContact CB-CD1 4.49Å; V396-I435 HydrophobicContact CG2-CD1 3.97Å; K407-I435 HydrophobicContact CB-CD1 3.53Å; K407-I435 HydrophobicContact CB-CG1 3.29Å; K407-I435 HydrophobicContact CD-CG1 4.22Å; K407-I435 HydrophobicContact CG-CG1 4.4Å; V408-I435 PolarHBondContact O-N 3.22Å; I435-L438 HydrophobicContact CG2-CG 4.35Å
436	Q	67.6	Low	64.9	Low	167 Å²	167	78.9 Å²	78.9	78%	0.78	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-59.4	142.2	160.9	-68.4	-161.2	-18.6	0	0	109.4	L438	Q436-L438 PolarHBondContact O-N 3.01Å
437	P	57.2	Low	62.2	Low	112 Å²	112	80.9 Å²	80.9	73%	0.727	44%	0.437	S	S	*	.			trans	-53.6	111.9	175	21.8	-31	0	0	0	108.3	Y439	P437-Y439 PolarHBondContact O-N 2.97Å
438	L	54.7	Low	59.9	Low	93 Å²	93	85 Å²	85	49%	0.487	46%	0.462	S	S	.	.			trans	-67	134.8	176.1	-76.9	177	0	0	0	107.8	H394 I435 Q436 N440 W509	H394-L438 WeakPolarHBondContact CE1-CD1 3.1Å; H394-L438 VanDerWaalsContact ND1-CD1 3.28Å; H394-L438 WeakPolarHBondContact ND1-CD1 3.23Å; I435-L438 HydrophobicContact CG2-CG 4.35Å; Q436-L438 PolarHBondContact O-N 3.01Å; L438-N440 PolarHBondContact O-N 3.42Å; L438-W509 HydrophobicContact CB-CH2 3.82Å; L438-W509 HydrophobicContact CB-CZ3 4.5Å; L438-W509 HydrophobicContact CD1-CH2 3.54Å; L438-W509 HydrophobicContact CD1-CZ2 3.7Å; L438-W509 HydrophobicContact CG-CH2 4.33Å
439	Y	49.1	Very low	57.8	Low	222 Å²	222	86.4 Å²	86.4	87%	0.871	47%	0.468	S	S	*	.			trans	-56.5	129.4	159.2	-74.7	-87.9	0	0	0	107	P437	P437-Y439 PolarHBondContact O-N 2.97Å
440	N	48.4	Very low	55.4	Low	67 Å²	67	91.1 Å²	91.1	36%	0.358	49%	0.49	S	S	.	.			trans	-22.3	127.6	178.8	-166.3	-9.4	0	0	0	113	L438 Y442	L438-N440 PolarHBondContact O-N 3.42Å; N440-Y442 CarbonylContact O-C 3.57Å; N440-Y442 PolarHBondContact O-N 3.11Å; N440-Y442 WeakPolarHBondContact OD1-CD2 3.17Å; N440-Y442 PolarHBondContact OD1-N 3.08Å
441	P	47.1	Very low	52.9	Low	55 Å²	55	97.2 Å²	97.2	36%	0.357	53%	0.528	S	S	.	.	S	Bend	trans	-57.5	-17.1	179.6	22.6	-33.7	0	0	0	112.8	L391 E443 W509	L391-P441 HydrophobicContact CD1-CG 3.37Å; P441-E443 PolarHBondContact O-N 2.84Å; P441-W509 HydrophobicContact CB-CH2 4.17Å; P441-W509 HydrophobicContact CB-CZ2 4.09Å; P441-W509 VanDerWaalsContact CD-CZ3 3.44Å; P441-W509 HydrophobicContact CG-CD2 4.2Å; P441-W509 HydrophobicContact CG-CE3 4.05Å; P441-W509 HydrophobicContact CG-CH2 3.96Å; P441-W509 HydrophobicContact CG-CZ2 4.15Å; P441-W509 HydrophobicContact CG-CZ3 3.93Å
442	Y	50.3	Low	50.9	Low	17 Å²	17	97.7 Å²	97.7	7%	0.067	52%	0.524	C	S	.	.			trans	-83.7	97.1	159.7	-40.3	-74.2	0	0	0	109.5	Y358 E382 N440 V444 L446 K485	Y358-Y442 HydrophobicContact CD1-CE1 4.45Å; E382-Y442 PolarHBondContact OE1-OH 3.07Å; E382-Y442 PolarHBondContact OE2-OH 3.35Å; N440-Y442 CarbonylContact O-C 3.57Å; N440-Y442 PolarHBondContact O-N 3.11Å; N440-Y442 WeakPolarHBondContact OD1-CD2 3.17Å; N440-Y442 PolarHBondContact OD1-N 3.08Å; Y442-V444 PolarHBondContact O-N 3.42Å; Y442-V444 VanDerWaalsContact O-N 3.07Å; Y442-L446 HydrophobicContact CD2-CD1 3.44Å; Y442-L446 VanDerWaalsContact CD2-CD1 3.44Å; Y442-L446 HydrophobicContact CD2-CG 4.2Å; Y442-L446 HydrophobicContact CE2-CD1 3.86Å; Y442-L446 HydrophobicContact CG-CD1 4.09Å; Y442-L446 HydrophobicContact CG-CG 4.39Å; Y442-K485 PolarHBondContact OH-NZ 2.83Å
443	E	38.6	Very low	48.9	Very low	194 Å²	194	101.5 Å²	101.5	91%	0.907	55%	0.549	S	S	*	.			trans	-63	-3.2	160.3	-81.7	-169.6	169.4	0	0	112.3	P441	P441-E443 PolarHBondContact O-N 2.84Å
444	V	38.6	Very low	47.2	Very low	66 Å²	66	101.2 Å²	101.2	40%	0.4	54%	0.544	S	S	.	.	S	Bend	trans	-99	114.2	177.3	-170.9	0	0	0	0	107.8	Y442 L446	Y442-V444 PolarHBondContact O-N 3.42Å; Y442-V444 VanDerWaalsContact O-N 3.07Å; V444-L446 PolarHBondContact O-N 3.06Å
445	N	32.1	Very low	45.7	Very low	146 Å²	146	99.7 Å²	99.7	78%	0.781	54%	0.543	S	S	*	.			trans	-42.8	109	174.3	-71.9	-36.2	0	0	0	110.7	S447	N445-S447 PolarHBondContact O-N 2.94Å; N445-S447 VanDerWaalsContact O-N 3.09Å
446	L	36	Very low	44.7	Very low	62 Å²	62	103 Å²	103	33%	0.325	57%	0.573	S	S	.	*			trans	-74.6	93.2	166.7	-73.2	170.4	0	0	0	107.3	Y442 V444	Y442-L446 HydrophobicContact CD2-CD1 3.44Å; Y442-L446 VanDerWaalsContact CD2-CD1 3.44Å; Y442-L446 HydrophobicContact CD2-CG 4.2Å; Y442-L446 HydrophobicContact CE2-CD1 3.86Å; Y442-L446 HydrophobicContact CG-CD1 4.09Å; Y442-L446 HydrophobicContact CG-CG 4.39Å; V444-L446 PolarHBondContact O-N 3.06Å
447	S	26.4	Very low	44.6	Very low	101 Å²	101	98 Å²	98	71%	0.706	55%	0.552	S	S	*	*			trans	-111.6	79.1	170.9	61	0	0	0	0	109.6	N445	N445-S447 PolarHBondContact O-N 2.94Å; N445-S447 VanDerWaalsContact O-N 3.09Å
448	V	35.4	Very low	45.2	Very low	89 Å²	89	98 Å²	98	54%	0.539	55%	0.551	S	S	.	*			trans	-155	94.2	165.6	-165.4	0	0	0	0	106.1
449	S	34	Very low	46.3	Very low	95 Å²	95	98.8 Å²	98.8	66%	0.664	56%	0.556	S	S	*	*				38.2	71.1	84.6	81.8	0	0	0	0	113.9
450	D	34.1	Very low	47.7	Very low	145 Å²	145	88.7 Å²	88.7	78%	0.775	52%	0.517	S	S	*	.				162.7	122.6	121.8	-76.8	-20.6	0	0	0	108.9	F452	D450-F452 VanDerWaalsContact C-N 3.31Å; D450-F452 PolarHBondContact O-N 3.08Å
451	T	34.3	Very low	49.3	Very low	141 Å²	141	88.5 Å²	88.5	87%	0.865	52%	0.521	S	S	*	.			trans	-61.9	88.9	174.1	46.3	0	0	0	0	109.6
452	F	46	Very low	51.1	Low	79 Å²	79	88.6 Å²	88.6	35%	0.346	52%	0.522	S	S	.	.			trans	-90.9	126.2	175.6	-177.1	-104.3	0	0	0	110.6	P334 D450 M454	P334-F452 HydrophobicContact CB-CE1 3.96Å; P334-F452 HydrophobicContact CB-CZ 4.22Å; P334-F452 HydrophobicContact CG-CE1 3.8Å; P334-F452 HydrophobicContact CG-CZ 3.84Å; D450-F452 VanDerWaalsContact C-N 3.31Å; D450-F452 PolarHBondContact O-N 3.08Å; F452-M454 HydrophobicContact CD1-CB 4.42Å; F452-M454 HydrophobicContact CD1-CG 3.66Å; F452-M454 HydrophobicContact CE1-CB 4.23Å; F452-M454 HydrophobicContact CE1-CE 4.28Å; F452-M454 HydrophobicContact CE1-CG 3.67Å
453	T	45.1	Very low	52.9	Low	109 Å²	109	90.6 Å²	90.6	67%	0.669	53%	0.534	S	S	*	.			trans	-86.9	105.4	172.3	-13.4	0	0	0	0	107.9	E387	E387-T453 WeakPolarHBondContact OE1-CG2 3.32Å
454	M	52.8	Low	55.2	Low	41 Å²	41	81.4 Å²	81.4	20%	0.202	49%	0.491	C	S	.	.			trans	-73.2	142.9	-178.9	-81.7	-131.6	66.8	0	0	112.6	P334 F336 M384 F452	P334-M454 HydrophobicContact CB-CE 3.57Å; P334-M454 HydrophobicContact CG-CE 3.32Å; F336-M454 HydrophobicContact CD2-CE 4.33Å; F336-M454 HydrophobicContact CD2-SD 4.22Å; F336-M454 HydrophobicContact CE2-CE 3.85Å; F336-M454 HydrophobicContact CE2-SD 3.36Å; F336-M454 WeakPolarHBondContact CE2-SD 3.4Å; F336-M454 HydrophobicContact CZ-SD 4.04Å; M384-M454 HydrophobicContact CE-CE 4.03Å; M384-M454 HydrophobicContact CE-SD 3.79Å; M384-M454 HydrophobicContact CG-SD 4.42Å; F452-M454 HydrophobicContact CD1-CB 4.42Å; F452-M454 HydrophobicContact CD1-CG 3.66Å; F452-M454 HydrophobicContact CE1-CB 4.23Å; F452-M454 HydrophobicContact CE1-CE 4.28Å; F452-M454 HydrophobicContact CE1-CG 3.67Å
455	P	52.9	Low	57.7	Low	70 Å²	70	84.1 Å²	84.1	46%	0.455	49%	0.494	S	S	.	.			trans	-64	136	165.9	22.3	-26.3	0	0	0	110.5	P334 L457	P334-P455 HydrophobicContact CG-CG 4.21Å; P455-L457 PolarHBondContact O-N 2.97Å; P455-L457 VanDerWaalsContact O-N 3.15Å
456	A	59	Low	60.5	Low	91 Å²	91	81.6 Å²	81.6	75%	0.752	48%	0.481	S	S	*	.			trans	-65.2	112.6	174.2	0	0	0	0	0	109.4	P458	A456-P458 WeakPolarHBondContact O-CD 3.19Å
457	L	65.4	Low	63.1	Low	64 Å²	64	78.7 Å²	78.7	34%	0.335	47%	0.466	S	S	.	.			trans	-65.5	123	171.2	-74.5	178.8	0	0	0	109.3	Q361 M384 P455 D459 Y460	Q361-L457 HydrophobicContact CG-CD1 4.31Å; M384-L457 HydrophobicContact CE-CD1 3.39Å; M384-L457 HydrophobicContact CE-CG 3.96Å; M384-L457 HydrophobicContact SD-CD1 4.12Å; P455-L457 PolarHBondContact O-N 2.97Å; P455-L457 VanDerWaalsContact O-N 3.15Å; L457-D459 PolarHBondContact O-N 2.51Å; L457-Y460 HydrophobicContact CD1-CD2 4.16Å; L457-Y460 PolarHBondContact O-N 3.12Å
458	P	68.5	Low	66.3	Low	110 Å²	110	73.9 Å²	73.9	71%	0.714	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	140.5	169.8	-21.7	32.3	0	0	0	109.8	A456 Y460	A456-P458 WeakPolarHBondContact O-CD 3.19Å; P458-Y460 PolarHBondContact O-N 2.78Å
459	D	77.6	Confident	69.1	Low	111 Å²	111	76.4 Å²	76.4	59%	0.594	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	1.3	175.8	-53.7	-44.5	0	0	0	117.8	L457 S461 S462 N463	L457-D459 PolarHBondContact O-N 2.51Å; D459-S461 VanDerWaalsContact C-N 3.27Å; D459-S461 PolarHBondContact O-N 2.6Å; D459-S462 CarbonylContact O-C 3.49Å; D459-S462 WeakPolarHBondContact O-CA 3.46Å; D459-S462 VanDerWaalsContact O-CB 3.31Å; D459-S462 WeakPolarHBondContact O-CB 3.48Å; D459-S462 PolarHBondContact O-N 2.67Å; D459-N463 PolarHBondContact O-N 3.32Å
460	Y	80	Confident	72	Confident	10 Å²	10	72.5 Å²	72.5	4%	0.039	41%	0.405	C	S	.	.	H	α-helix	trans	-54.8	-42.9	179.7	-177.1	-99.7	0	0	0	112.9	M360 A362 P383 M384 L385 L457 P458 S462 N463 L464	M360-Y460 PolarHBondContact O-OH 3.37Å; A362-Y460 HydrophobicContact CB-CE2 4.2Å; P383-Y460 VanDerWaalsContact CA-OH 3.3Å; P383-Y460 WeakPolarHBondContact CA-OH 3.5Å; P383-Y460 HydrophobicContact CB-CE1 4.25Å; P383-Y460 VanDerWaalsContact CB-OH 3.23Å; P383-Y460 WeakPolarHBondContact CB-OH 3.31Å; M384-Y460 HydrophobicContact CB-CE2 4.36Å; M384-Y460 PolarHBondContact N-OH 3.42Å; L385-Y460 HydrophobicContact CD1-CD1 3.71Å; L385-Y460 HydrophobicContact CD1-CE1 3.85Å; L385-Y460 HydrophobicContact CG-CD1 4.03Å; L385-Y460 HydrophobicContact CG-CE1 3.92Å; L457-Y460 HydrophobicContact CD1-CD2 4.16Å; L457-Y460 PolarHBondContact O-N 3.12Å; P458-Y460 PolarHBondContact O-N 2.78Å; Y460-S462 VanDerWaalsContact C-N 3.31Å; Y460-S462 PolarHBondContact O-N 3.18Å; Y460-N463 PolarHBondContact O-N 3.16Å; Y460-L464 HydrophobicContact CE1-CD2 4.14Å; Y460-L464 VanDerWaalsContact O-CB 3.26Å; Y460-L464 WeakPolarHBondContact O-CB 3.28Å; Y460-L464 PolarHBondContact O-N 2.99Å
461	S	81.5	Confident	75	Confident	63 Å²	63	65.6 Å²	65.6	44%	0.441	37%	0.369	S	S	.	.	H	α-helix	trans	-63.9	-37.4	176.2	-66.3	0	0	0	0	112.1	D459 R465 L491	D459-S461 VanDerWaalsContact C-N 3.27Å; D459-S461 PolarHBondContact O-N 2.6Å; S461-R465 VanDerWaalsContact O-CB 3.22Å; S461-R465 WeakPolarHBondContact O-CB 3.39Å; S461-R465 PolarHBondContact O-N 3.15Å; S461-L491 WeakPolarHBondContact O-CD2 3.29Å
462	S	85.7	Confident	77.9	Confident	56 Å²	56	64.1 Å²	64.1	39%	0.392	35%	0.348	S	S	.	.	H	α-helix	trans	-67.3	-43.4	176.5	-57.7	0	0	0	0	111.2	D459 Y460 R465 N466	D459-S462 CarbonylContact O-C 3.49Å; D459-S462 WeakPolarHBondContact O-CA 3.46Å; D459-S462 VanDerWaalsContact O-CB 3.31Å; D459-S462 WeakPolarHBondContact O-CB 3.48Å; D459-S462 PolarHBondContact O-N 2.67Å; Y460-S462 VanDerWaalsContact C-N 3.31Å; Y460-S462 PolarHBondContact O-N 3.18Å; S462-R465 WeakPolarHBondContact O-CB 3.3Å; S462-R465 PolarHBondContact O-N 2.59Å; S462-N466 PolarHBondContact O-N 3.29Å; S462-N466 PolarHBondContact O-ND2 3.4Å
463	N	87.2	Confident	80.2	Confident	60 Å²	60	64.3 Å²	64.3	32%	0.321	35%	0.349	S	S	.	.	H	α-helix	trans	-69.8	-40.3	178.2	-65	-18.1	0	0	0	112.4	A362 D459 Y460 R465 N466 M467	A362-N463 HydrophobicContact CB-CB 4.04Å; A362-N463 WeakPolarHBondContact O-CB 3.47Å; A362-N463 PolarHBondContact O-ND2 3.49Å; D459-N463 PolarHBondContact O-N 3.32Å; Y460-N463 PolarHBondContact O-N 3.16Å; N463-R465 VanDerWaalsContact C-N 3.31Å; N463-R465 PolarHBondContact O-N 3.13Å; N463-N466 PolarHBondContact O-N 3.17Å; N463-M467 PolarHBondContact O-N 2.97Å
464	L	87.6	Confident	82.6	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-61.5	-42.7	173.5	-178.9	58.4	0	0	0	110.7	A362 P383 Y460 N466 M467 L468 L487 L491	A362-L464 HydrophobicContact CB-CB 4.28Å; P383-L464 HydrophobicContact CB-CD2 4.12Å; P383-L464 HydrophobicContact CG-CD1 4.27Å; P383-L464 HydrophobicContact CG-CD2 3.95Å; Y460-L464 HydrophobicContact CE1-CD2 4.14Å; Y460-L464 VanDerWaalsContact O-CB 3.26Å; Y460-L464 WeakPolarHBondContact O-CB 3.28Å; Y460-L464 PolarHBondContact O-N 2.99Å; L464-N466 PolarHBondContact O-N 2.75Å; L464-M467 HydrophobicContact CD1-CE 3.4Å; L464-M467 WeakPolarHBondContact O-CB 3.16Å; L464-M467 PolarHBondContact O-N 3.48Å; L464-L468 HydrophobicContact CG-CD1 4.43Å; L464-L468 WeakPolarHBondContact O-CG 3.22Å; L464-L468 PolarHBondContact O-N 3.14Å; L464-L487 HydrophobicContact CD2-CD1 4.09Å; L464-L491 HydrophobicContact CD2-CD1 3.93Å
465	R	89.6	Confident	84.5	Confident	122 Å²	122	59.8 Å²	59.8	46%	0.46	33%	0.333	S	S	.	.	H	α-helix	trans	-57.9	-46.2	171.8	174.3	175.8	-72.1	175.6	-2.8	111.5	S461 S462 N463 M467 L468 Y469 L491 A494	S461-R465 VanDerWaalsContact O-CB 3.22Å; S461-R465 WeakPolarHBondContact O-CB 3.39Å; S461-R465 PolarHBondContact O-N 3.15Å; S462-R465 WeakPolarHBondContact O-CB 3.3Å; S462-R465 PolarHBondContact O-N 2.59Å; N463-R465 VanDerWaalsContact C-N 3.31Å; N463-R465 PolarHBondContact O-N 3.13Å; R465-M467 VanDerWaalsContact C-N 3.34Å; R465-M467 PolarHBondContact O-N 3.39Å; R465-L468 PolarHBondContact O-N 2.77Å; R465-Y469 WeakPolarHBondContact O-CB 3.49Å; R465-Y469 PolarHBondContact O-N 2.89Å; R465-L491 HydrophobicContact CB-CD2 3.87Å; R465-A494 HydrophobicContact CB-CB 4.22Å; R465-A494 HydrophobicContact CG-CB 3.69Å
466	N	91.2	Very high	86.5	Confident	93 Å²	93	58.4 Å²	58.4	50%	0.497	33%	0.325	S	S	.	.	H	α-helix	trans	-63.6	-37.8	177.8	-70.3	-21.6	0	0	0	112.6	S462 N463 L464 Y469 S470	S462-N466 PolarHBondContact O-N 3.29Å; S462-N466 PolarHBondContact O-ND2 3.4Å; N463-N466 PolarHBondContact O-N 3.17Å; L464-N466 PolarHBondContact O-N 2.75Å; N466-Y469 PolarHBondContact O-N 3.2Å; N466-S470 WeakPolarHBondContact O-CB 3.15Å; N466-S470 PolarHBondContact O-N 2.94Å; N466-S470 PolarHBondContact O-OG 3.48Å
467	M	91.9	Very high	88.3	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-62.4	-49.7	173.5	-179.7	179.3	85.5	0	0	111.4	M360 W366 F370 I381 N463 L464 R465 Y469 S470	M360-M467 HydrophobicContact CE-CE 4.22Å; M360-M467 HydrophobicContact CE-SD 3.54Å; M360-M467 VanDerWaalsContact CE-SD 3.54Å; W366-M467 HydrophobicContact CB-CB 4.15Å; W366-M467 HydrophobicContact CB-CG 3.96Å; W366-M467 VanDerWaalsContact CD1-CB 3.49Å; W366-M467 HydrophobicContact CD2-CB 4.38Å; W366-M467 HydrophobicContact CD2-CG 3.62Å; W366-M467 HydrophobicContact CD2-SD 3.7Å; W366-M467 HydrophobicContact CE3-CG 4.29Å; W366-M467 HydrophobicContact CE3-SD 4.3Å; W366-M467 HydrophobicContact CG-CB 3.73Å; W366-M467 HydrophobicContact CG-CG 3.42Å; W366-M467 VanDerWaalsContact CG-CG 3.42Å; W366-M467 HydrophobicContact CG-SD 4.05Å; W366-M467 HydrophobicContact CH2-SD 4.45Å; W366-M467 HydrophobicContact CZ2-SD 3.84Å; F370-M467 HydrophobicContact CE2-CG 4.25Å; F370-M467 HydrophobicContact CZ-CG 4.27Å; I381-M467 HydrophobicContact CB-CE 4.42Å; I381-M467 HydrophobicContact CD1-CE 3.69Å; I381-M467 HydrophobicContact CG1-CE 3.97Å; I381-M467 HydrophobicContact CG2-CE 3.57Å; N463-M467 PolarHBondContact O-N 2.97Å; L464-M467 HydrophobicContact CD1-CE 3.4Å; L464-M467 WeakPolarHBondContact O-CB 3.16Å; L464-M467 PolarHBondContact O-N 3.48Å; R465-M467 VanDerWaalsContact C-N 3.34Å; R465-M467 PolarHBondContact O-N 3.39Å; M467-Y469 VanDerWaalsContact C-N 3.31Å; M467-Y469 PolarHBondContact O-N 3.44Å; M467-S470 WeakPolarHBondContact O-CB 3.22Å; M467-S470 PolarHBondContact O-N 3Å
468	L	93.5	Very high	89.8	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-62.5	-40.1	177.9	-67.6	175.9	0	0	0	111.5	I381 L464 R465 S470 L471 L482 W484 L491 A494 I495 P496	I381-L468 HydrophobicContact CD1-CD2 4.44Å; L464-L468 HydrophobicContact CG-CD1 4.43Å; L464-L468 WeakPolarHBondContact O-CG 3.22Å; L464-L468 PolarHBondContact O-N 3.14Å; R465-L468 PolarHBondContact O-N 2.77Å; L468-S470 VanDerWaalsContact C-N 3.26Å; L468-S470 PolarHBondContact O-N 3.38Å; L468-L471 HydrophobicContact CD2-CD1 4.07Å; L468-L471 WeakPolarHBondContact O-CB 3.23Å; L468-L471 WeakPolarHBondContact O-CD1 3.41Å; L468-L471 WeakPolarHBondContact O-CG 3.07Å; L468-L471 PolarHBondContact O-N 3.32Å; L468-L482 HydrophobicContact CD2-CD2 4.38Å; L468-W484 HydrophobicContact CD1-CZ2 4.5Å; L468-L491 HydrophobicContact CD1-CB 4.41Å; L468-L491 VanDerWaalsContact CD1-O 3.23Å; L468-L491 WeakPolarHBondContact CD1-O 3.16Å; L468-A494 HydrophobicContact CB-CB 3.84Å; L468-A494 HydrophobicContact CD1-CB 4.28Å; L468-I495 HydrophobicContact CB-CG1 4.18Å; L468-I495 HydrophobicContact CD2-CG1 4.17Å; L468-P496 WeakPolarHBondContact O-CD 3.33Å
469	Y	94.3	Very high	91.1	Very high	142 Å²	142	50.9 Å²	50.9	56%	0.557	26%	0.26	S	S	*	.	H	α-helix	trans	-60.7	-37.5	173.3	-170	-101.8	0	0	0	111.4	R465 N466 M467 L471 Y472 A494 P496	R465-Y469 WeakPolarHBondContact O-CB 3.49Å; R465-Y469 PolarHBondContact O-N 2.89Å; N466-Y469 PolarHBondContact O-N 3.2Å; M467-Y469 VanDerWaalsContact C-N 3.31Å; M467-Y469 PolarHBondContact O-N 3.44Å; Y469-L471 PolarHBondContact O-N 3.24Å; Y469-L471 VanDerWaalsContact O-N 3.15Å; Y469-Y472 HydrophobicContact CD1-CE1 4.24Å; Y469-Y472 HydrophobicContact CE1-CE1 4.09Å; Y469-Y472 WeakPolarHBondContact O-CD1 3.23Å; Y469-A494 VanDerWaalsContact CA-O 3.3Å; Y469-A494 WeakPolarHBondContact CA-O 3.41Å; Y469-A494 PolarHBondContact N-O 3.38Å; Y469-P496 HydrophobicContact CD2-CG 4.22Å; Y469-P496 WeakPolarHBondContact O-CG 3.4Å
470	S	95	Very high	92	Very high	12 Å²	12	45.6 Å²	45.6	8%	0.084	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-70.4	-9.1	-177.8	-60.6	0	0	0	0	114.6	A367 N466 M467 L468 Y472 K473	A367-S470 WeakPolarHBondContact CB-OG 3.27Å; N466-S470 WeakPolarHBondContact O-CB 3.15Å; N466-S470 PolarHBondContact O-N 2.94Å; N466-S470 PolarHBondContact O-OG 3.48Å; M467-S470 WeakPolarHBondContact O-CB 3.22Å; M467-S470 PolarHBondContact O-N 3Å; L468-S470 VanDerWaalsContact C-N 3.26Å; L468-S470 PolarHBondContact O-N 3.38Å; S470-Y472 PolarHBondContact O-N 2.84Å; S470-Y472 VanDerWaalsContact O-N 3.09Å; S470-K473 WeakPolarHBondContact O-CB 3.44Å; S470-K473 PolarHBondContact O-N 2.96Å; S470-K473 VanDerWaalsContact O-N 3.1Å
471	L	95.8	Very high	92.7	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-59.3	-22.2	-178.3	-67.9	174.1	0	0	0	113.7	F370 L379 L468 Y469 K473 L474 L480 I495 V499	F370-L471 HydrophobicContact CD2-CD2 4.44Å; F370-L471 HydrophobicContact CE2-CD2 3.7Å; F370-L471 HydrophobicContact CE2-CG 4.41Å; F370-L471 HydrophobicContact CZ-CD2 4.02Å; L379-L471 HydrophobicContact CD2-CD2 3.48Å; L379-L471 VanDerWaalsContact CD2-CD2 3.48Å; L468-L471 HydrophobicContact CD2-CD1 4.07Å; L468-L471 WeakPolarHBondContact O-CB 3.23Å; L468-L471 WeakPolarHBondContact O-CD1 3.41Å; L468-L471 WeakPolarHBondContact O-CG 3.07Å; L468-L471 PolarHBondContact O-N 3.32Å; Y469-L471 PolarHBondContact O-N 3.24Å; Y469-L471 VanDerWaalsContact O-N 3.15Å; L471-K473 PolarHBondContact O-N 2.85Å; L471-L474 HydrophobicContact CD2-CD1 3.83Å; L471-L474 WeakPolarHBondContact O-CB 3.41Å; L471-L474 PolarHBondContact O-N 2.76Å; L471-L480 HydrophobicContact CD1-CD1 4.45Å; L471-L480 HydrophobicContact CD1-CD2 3.92Å; L471-I495 HydrophobicContact CD1-CG1 4.31Å; L471-I495 HydrophobicContact CD1-CG2 4.26Å; L471-V499 VanDerWaalsContact C-CG2 3.42Å; L471-V499 HydrophobicContact CB-CB 4.49Å; L471-V499 HydrophobicContact CB-CG1 4.06Å; L471-V499 HydrophobicContact CB-CG2 3.78Å
472	Y	94.8	Very high	93.1	Very high	109 Å²	109	45.4 Å²	45.4	43%	0.427	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-60.8	-17.9	176.4	74.7	-94.7	0	0	0	113.4	Y469 S470 L474 P496 V499	Y469-Y472 HydrophobicContact CD1-CE1 4.24Å; Y469-Y472 HydrophobicContact CE1-CE1 4.09Å; Y469-Y472 WeakPolarHBondContact O-CD1 3.23Å; S470-Y472 PolarHBondContact O-N 2.84Å; S470-Y472 VanDerWaalsContact O-N 3.09Å; Y472-L474 VanDerWaalsContact C-N 3.26Å; Y472-L474 PolarHBondContact O-N 3.21Å; Y472-P496 HydrophobicContact CD1-CG 4.28Å; Y472-V499 VanDerWaalsContact CA-CG2 3.48Å; Y472-V499 VanDerWaalsContact N-CG2 3.31Å
473	K	95.5	Very high	93	Very high	83 Å²	83	43 Å²	43	36%	0.361	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-71.9	-19	174.3	-64.2	-62.7	-167.2	-172.2	0	113.1	F370 S470 L471 G475	F370-K473 HydrophobicContact CB-CB 3.86Å; S470-K473 WeakPolarHBondContact O-CB 3.44Å; S470-K473 PolarHBondContact O-N 2.96Å; S470-K473 VanDerWaalsContact O-N 3.1Å; L471-K473 PolarHBondContact O-N 2.85Å; K473-G475 PolarHBondContact O-N 3.06Å
474	L	95.5	Very high	92.4	Very high	8 Å²	8	40.5 Å²	40.5	4%	0.042	19%	0.19	C	C	.	.			trans	-90.6	74	-178.1	-59	174.4	0	0	0	111.5	F370 C373 L376 L379 L471 Y472 S476 L477	F370-L474 HydrophobicContact CB-CD2 3.64Å; F370-L474 HydrophobicContact CB-CG 3.89Å; F370-L474 HydrophobicContact CD1-CD1 3.93Å; F370-L474 HydrophobicContact CD1-CD2 3.82Å; F370-L474 HydrophobicContact CD1-CG 4.13Å; F370-L474 HydrophobicContact CD2-CD1 4.21Å; F370-L474 HydrophobicContact CD2-CG 4.3Å; F370-L474 HydrophobicContact CE1-CD1 4.1Å; F370-L474 HydrophobicContact CE2-CD1 4.37Å; F370-L474 HydrophobicContact CG-CD1 3.99Å; F370-L474 HydrophobicContact CG-CD2 3.84Å; F370-L474 HydrophobicContact CG-CG 3.86Å; F370-L474 HydrophobicContact CZ-CD1 4.32Å; C373-L474 HydrophobicContact CB-CD2 3.94Å; L376-L474 HydrophobicContact CB-CD2 4.2Å; L376-L474 HydrophobicContact CD2-CD1 3.95Å; L376-L474 HydrophobicContact CD2-CD2 3.94Å; L379-L474 HydrophobicContact CD2-CD1 4.05Å; L471-L474 HydrophobicContact CD2-CD1 3.83Å; L471-L474 WeakPolarHBondContact O-CB 3.41Å; L471-L474 PolarHBondContact O-N 2.76Å; Y472-L474 VanDerWaalsContact C-N 3.26Å; Y472-L474 PolarHBondContact O-N 3.21Å; L474-S476 PolarHBondContact O-N 3.11Å; L474-S476 VanDerWaalsContact O-N 3.16Å; L474-L477 HydrophobicContact CB-CB 3.89Å; L474-L477 HydrophobicContact CD1-CD1 4.47Å; L474-L477 HydrophobicContact CD1-CD2 4.28Å; L474-L477 VanDerWaalsContact O-CB 3.27Å; L474-L477 WeakPolarHBondContact O-CB 3.32Å; L474-L477 PolarHBondContact O-N 2.92Å
475	G	91.9	Very high	91.5	Very high	48 Å²	48	40.8 Å²	40.8	50%	0.495	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-25.6	-177.5	0	0	0	0	0	115	K473 R478	K473-G475 PolarHBondContact O-N 3.06Å; G475-R478 PolarHBondContact O-NH1 2.92Å
476	S	95.7	Very high	90.3	Very high	41 Å²	41	39.5 Å²	39.5	29%	0.287	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-1.5	177.9	-63.2	0	0	0	0	114.1	Y374 L376 R377 L474 R478	Y374-S476 WeakPolarHBondContact O-CB 3.4Å; Y374-S476 PolarHBondContact O-OG 2.96Å; L376-S476 CarbonylContact O-C 3.59Å; L376-S476 WeakPolarHBondContact O-CB 3.44Å; R377-S476 WeakPolarHBondContact CA-O 3.36Å; L474-S476 PolarHBondContact O-N 3.11Å; L474-S476 VanDerWaalsContact O-N 3.16Å; S476-R478 PolarHBondContact O-N 3Å; S476-R478 PolarHBondContact O-NH1 3.26Å
477	L	97.1	Very high	88.7	Confident	2 Å²	2	37 Å²	37	1%	0.01	18%	0.175	C	C	.	.			trans	-63.5	128.9	-176.9	-170.2	67.2	0	0	0	110.3	L376 L379 L474 L480 V499 I503	L376-L477 WeakPolarHBondContact O-CA 3.37Å; L376-L477 PolarHBondContact O-N 3.17Å; L379-L477 HydrophobicContact CB-CD1 3.76Å; L474-L477 HydrophobicContact CB-CB 3.89Å; L474-L477 HydrophobicContact CD1-CD1 4.47Å; L474-L477 HydrophobicContact CD1-CD2 4.28Å; L474-L477 VanDerWaalsContact O-CB 3.27Å; L474-L477 WeakPolarHBondContact O-CB 3.32Å; L474-L477 PolarHBondContact O-N 2.92Å; L477-L480 HydrophobicContact CD2-CB 4.49Å; L477-V499 HydrophobicContact CD2-CG1 4.07Å; L477-I503 HydrophobicContact CB-CG2 4.39Å; L477-I503 HydrophobicContact CD2-CG2 3.98Å; L477-I503 HydrophobicContact CG-CG2 3.91Å
478	R	96.2	Very high	87.5	Confident	89 Å²	89	41 Å²	41	34%	0.336	20%	0.197	S	C	.	.			trans	-124.7	-31	177.8	-62.4	-59.2	176.9	-98.8	1.7	112.5	R377 G475 S476 E504 V505	R377-R478 PolarHBondContact O-N 3.4Å; G475-R478 PolarHBondContact O-NH1 2.92Å; S476-R478 PolarHBondContact O-N 3Å; S476-R478 PolarHBondContact O-NH1 3.26Å; R478-E504 HydrophobicContact CB-CG 4.35Å; R478-E504 WeakPolarHBondContact CD-OE1 3.16Å; R478-E504 IonicContact NE-OE1 3.58Å; R478-E504 PolarHBondContact O-N 3.3Å; R478-V505 PolarHBondContact O-N 2.95Å
479	V	96.7	Very high	86.3	Confident	16 Å²	16	42.2 Å²	42.2	10%	0.097	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	120.7	179.3	-175.5	0	0	0	0	109.3	R377 E378 L379 R481 V505	R377-V479 PolarHBondContact O-N 3.22Å; E378-V479 WeakPolarHBondContact CA-O 3.49Å; E378-V479 HydrophobicContact CB-CB 4.23Å; E378-V479 HydrophobicContact CG-CB 3.93Å; E378-V479 HydrophobicContact CG-CG2 4.07Å; L379-V479 PolarHBondContact N-O 2.74Å; V479-R481 HydrophobicContact CG1-CG 3.9Å; V479-V505 WeakPolarHBondContact CA-O 3.47Å; V479-V505 HydrophobicContact CG1-CB 4.14Å; V479-V505 HydrophobicContact CG1-CG1 4.31Å; V479-V505 HydrophobicContact CG2-CB 4.23Å; V479-V505 HydrophobicContact CG2-CG2 4.47Å
480	L	96	Very high	85.4	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	118.2	172	-178.7	59.7	0	0	0	108.7	L379 I381 L471 L477 L482 I495 I503 V505 L506 D507	L379-L480 HydrophobicContact CB-CD1 4.18Å; L379-L480 HydrophobicContact CD2-CD1 4.12Å; L379-L480 HydrophobicContact CG-CD1 4.2Å; L379-L480 CarbonylContact O-C 3.59Å; L379-L480 WeakPolarHBondContact O-CA 3.42Å; I381-L480 HydrophobicContact CD1-CD1 4.27Å; L471-L480 HydrophobicContact CD1-CD1 4.45Å; L471-L480 HydrophobicContact CD1-CD2 3.92Å; L477-L480 HydrophobicContact CD2-CB 4.49Å; L480-L482 HydrophobicContact CD1-CD2 3.86Å; L480-L482 HydrophobicContact CD1-CG 4.32Å; L480-L482 HydrophobicContact CD2-CD1 4Å; L480-L482 HydrophobicContact CD2-CG 4.42Å; L480-L482 HydrophobicContact CG-CD1 4.11Å; L480-L482 HydrophobicContact CG-CD2 4.09Å; L480-L482 HydrophobicContact CG-CG 4Å; L480-I495 HydrophobicContact CD2-CD1 3.98Å; L480-I503 HydrophobicContact CB-CD1 4.25Å; L480-V505 PolarHBondContact N-O 3.49Å; L480-L506 HydrophobicContact CB-CD1 4.14Å; L480-L506 HydrophobicContact CD2-CD1 3.95Å; L480-L506 HydrophobicContact CG-CD1 4.07Å; L480-L506 WeakPolarHBondContact O-CA 3.23Å; L480-D507 PolarHBondContact O-N 2.81Å
481	R	93.7	Very high	84.6	Confident	69 Å²	69	38.4 Å²	38.4	26%	0.26	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.8	175.7	-44.5	-165.5	176.9	85.1	0.2	109.7	E378 L379 T380 I381 V479 D507	E378-R481 IonicContact OE2-CZ 3.87Å; E378-R481 VanDerWaalsContact OE2-CZ 3.31Å; E378-R481 IonicContact OE2-NH1 3.56Å; E378-R481 PolarHBondContact OE2-NH1 2.88Å; E378-R481 IonicContact OE2-NH2 3Å; E378-R481 PolarHBondContact OE2-NH2 3.32Å; L379-R481 PolarHBondContact O-N 2.93Å; T380-R481 CarbonylContact C-O 3.56Å; T380-R481 VanDerWaalsContact CA-O 3.29Å; T380-R481 WeakPolarHBondContact CA-O 3.33Å; T380-R481 HydrophobicContact CG2-CB 4Å; I381-R481 PolarHBondContact N-O 2.96Å; V479-R481 HydrophobicContact CG1-CG 3.9Å; R481-D507 CarbonylContact C-O 3.55Å; R481-D507 VanDerWaalsContact CA-O 3.25Å; R481-D507 WeakPolarHBondContact CA-O 3.26Å; R481-D507 HydrophobicContact CB-CB 4.09Å; R481-D507 HydrophobicContact CG-CB 3.84Å; R481-D507 IonicContact NE-OD2 2.72Å
482	L	89.8	Confident	84	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	114.9	-178	-56.7	171.5	0	0	0	107.7	I381 L468 L480 W484 L492 I495 L506 D507 L508 W509	I381-L482 HydrophobicContact CB-CD2 3.89Å; I381-L482 HydrophobicContact CD1-CD2 3.83Å; I381-L482 HydrophobicContact CG1-CD2 4.42Å; I381-L482 WeakPolarHBondContact O-CA 3.47Å; L468-L482 HydrophobicContact CD2-CD2 4.38Å; L480-L482 HydrophobicContact CD1-CD2 3.86Å; L480-L482 HydrophobicContact CD1-CG 4.32Å; L480-L482 HydrophobicContact CD2-CD1 4Å; L480-L482 HydrophobicContact CD2-CG 4.42Å; L480-L482 HydrophobicContact CG-CD1 4.11Å; L480-L482 HydrophobicContact CG-CD2 4.09Å; L480-L482 HydrophobicContact CG-CG 4Å; L482-W484 HydrophobicContact CB-CD2 4.08Å; L482-W484 HydrophobicContact CB-CE3 3.73Å; L482-W484 HydrophobicContact CB-CH2 3.54Å; L482-W484 HydrophobicContact CB-CZ2 3.89Å; L482-W484 HydrophobicContact CB-CZ3 3.42Å; L482-W484 VanDerWaalsContact CB-CZ3 3.42Å; L482-W484 HydrophobicContact CD1-CH2 3.08Å; L482-W484 HydrophobicContact CD1-CZ2 3.78Å; L482-W484 HydrophobicContact CD1-CZ3 3.62Å; L482-W484 HydrophobicContact CD2-CH2 4.42Å; L482-W484 HydrophobicContact CD2-CZ2 4.38Å; L482-W484 HydrophobicContact CG-CH2 3.79Å; L482-W484 HydrophobicContact CG-CZ2 4.2Å; L482-W484 HydrophobicContact CG-CZ3 4.1Å; L482-L492 HydrophobicContact CD1-CD2 4.11Å; L482-I495 HydrophobicContact CD1-CD1 3.7Å; L482-L506 HydrophobicContact CD1-CD1 4.12Å; L482-D507 PolarHBondContact N-O 2.9Å; L482-L508 HydrophobicContact CB-CD2 3.86Å; L482-L508 HydrophobicContact CD1-CD2 3.94Å; L482-L508 HydrophobicContact CG-CD2 4.22Å; L482-L508 WeakPolarHBondContact O-CA 3.49Å; L482-W509 PolarHBondContact O-N 3.29Å
483	I	83.9	Confident	83.7	Confident	5 Å²	5	36.6 Å²	36.6	3%	0.026	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	104.2	-179.5	-55.1	173.6	0	0	0	107.7	Y358 T380 I381 E382 P383 L391 W509	Y358-I483 HydrophobicContact CD1-CD1 4.16Å; Y358-I483 HydrophobicContact CE1-CD1 3.8Å; T380-I483 HydrophobicContact CG2-CD1 3.95Å; T380-I483 HydrophobicContact CG2-CG1 4.43Å; I381-I483 PolarHBondContact O-N 3.14Å; E382-I483 HydrophobicContact CB-CB 3.85Å; E382-I483 HydrophobicContact CB-CD1 4.4Å; E382-I483 HydrophobicContact CB-CG2 4.33Å; E382-I483 HydrophobicContact CG-CB 3.91Å; E382-I483 HydrophobicContact CG-CG2 3.87Å; P383-I483 WeakPolarHBondContact CD-O 3.3Å; L391-I483 HydrophobicContact CD1-CG2 3.9Å; L391-I483 HydrophobicContact CD2-CG2 3.83Å; L391-I483 HydrophobicContact CG-CG2 4.49Å; I483-W509 HydrophobicContact CB-CB 4.43Å; I483-W509 HydrophobicContact CG1-CB 4.44Å; I483-W509 HydrophobicContact CG1-CG 4.27Å; I483-W509 HydrophobicContact CG2-CB 4.16Å
484	W	76	Confident	83.4	Confident	7 Å²	7	33.1 Å²	33.1	3%	0.027	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	115	-175.2	-78.7	-50.7	0	0	0	112.3	L468 L482 L487 L492 L508 W509 F510 G511	L468-W484 HydrophobicContact CD1-CZ2 4.5Å; L482-W484 HydrophobicContact CB-CD2 4.08Å; L482-W484 HydrophobicContact CB-CE3 3.73Å; L482-W484 HydrophobicContact CB-CH2 3.54Å; L482-W484 HydrophobicContact CB-CZ2 3.89Å; L482-W484 HydrophobicContact CB-CZ3 3.42Å; L482-W484 VanDerWaalsContact CB-CZ3 3.42Å; L482-W484 HydrophobicContact CD1-CH2 3.08Å; L482-W484 HydrophobicContact CD1-CZ2 3.78Å; L482-W484 HydrophobicContact CD1-CZ3 3.62Å; L482-W484 HydrophobicContact CD2-CH2 4.42Å; L482-W484 HydrophobicContact CD2-CZ2 4.38Å; L482-W484 HydrophobicContact CG-CH2 3.79Å; L482-W484 HydrophobicContact CG-CZ2 4.2Å; L482-W484 HydrophobicContact CG-CZ3 4.1Å; W484-L487 HydrophobicContact CB-CB 4.28Å; W484-L487 HydrophobicContact CD2-CD2 4.03Å; W484-L487 HydrophobicContact CG-CB 4.13Å; W484-L487 HydrophobicContact CG-CD2 3.96Å; W484-L487 HydrophobicContact CG-CG 4.42Å; W484-L487 HydrophobicContact CZ2-CD2 4.14Å; W484-L487 VanDerWaalsContact NE1-CD2 3.29Å; W484-L492 HydrophobicContact CE3-CD1 4.23Å; W484-L492 HydrophobicContact CH2-CD1 3.77Å; W484-L492 HydrophobicContact CH2-CD2 3.2Å; W484-L492 HydrophobicContact CH2-CG 3.24Å; W484-L492 HydrophobicContact CZ2-CD2 4.39Å; W484-L492 HydrophobicContact CZ2-CG 4.19Å; W484-L492 HydrophobicContact CZ3-CD1 3.44Å; W484-L492 VanDerWaalsContact CZ3-CD1 3.44Å; W484-L492 HydrophobicContact CZ3-CD2 3.48Å; W484-L492 VanDerWaalsContact CZ3-CD2 3.48Å; W484-L492 HydrophobicContact CZ3-CG 3.49Å; W484-L492 VanDerWaalsContact CZ3-CG 3.49Å; W484-L508 HydrophobicContact CE3-CD2 4.43Å; W484-L508 HydrophobicContact CZ3-CD2 3.73Å; W484-W509 WeakPolarHBondContact CA-O 3.46Å; W484-W509 WeakPolarHBondContact CB-O 3.39Å; W484-W509 PolarHBondContact N-O 3.15Å; W484-W509 VanDerWaalsContact O-O 3.13Å; W484-F510 CarbonylContact O-C 3.6Å; W484-F510 VanDerWaalsContact O-C 3.28Å; W484-F510 WeakPolarHBondContact O-CA 3.33Å; W484-G511 PolarHBondContact O-N 2.91Å
485	K	68.3	Low	83.3	Confident	7 Å²	7	32.8 Å²	32.8	3%	0.03	18%	0.175	C	C	.	.	S	Bend	trans	-95.4	-34.4	-179.2	-62.5	167.1	162.8	177.7	0	113.2	E382 S386 A388 L391 Y442 G511	E382-K485 WeakPolarHBondContact OE1-CE 3.41Å; E382-K485 IonicContact OE1-NZ 3.21Å; E382-K485 PolarHBondContact OE1-NZ 3.07Å; S386-K485 VanDerWaalsContact CB-CB 3.4Å; S386-K485 WeakPolarHBondContact OG-CB 3.49Å; S386-K485 VanDerWaalsContact OG-CD 3.25Å; S386-K485 WeakPolarHBondContact OG-CD 3.34Å; A388-K485 WeakPolarHBondContact O-CD 3.2Å; L391-K485 HydrophobicContact CD2-CG 3.84Å; Y442-K485 PolarHBondContact OH-NZ 2.83Å; K485-G511 WeakPolarHBondContact O-CA 3.38Å
486	K	63.5	Low	83.5	Confident	95 Å²	95	31.6 Å²	31.6	41%	0.413	16%	0.159	S	C	.	.	S	Bend	trans	-147.4	102.6	174.3	-170.6	178	-173.7	178.4	0	109.2	E387	E387-K486 IonicContact OE1-NZ 3.31Å; E387-K486 IonicContact OE2-NZ 3.86Å; E387-K486 PolarHBondContact OE2-NZ 2.88Å
487	L	58	Low	83.3	Confident	41 Å²	41	33.3 Å²	33.3	22%	0.215	17%	0.165	C	C	.	.			trans	-147.5	147.3	-174.4	-147.6	93.6	0	0	0	115.5	L464 W484 V489 L491	L464-L487 HydrophobicContact CD2-CD1 4.09Å; W484-L487 HydrophobicContact CB-CB 4.28Å; W484-L487 HydrophobicContact CD2-CD2 4.03Å; W484-L487 HydrophobicContact CG-CB 4.13Å; W484-L487 HydrophobicContact CG-CD2 3.96Å; W484-L487 HydrophobicContact CG-CG 4.42Å; W484-L487 HydrophobicContact CZ2-CD2 4.14Å; W484-L487 VanDerWaalsContact NE1-CD2 3.29Å; L487-V489 PolarHBondContact O-N 3.11Å; L487-L491 HydrophobicContact CD1-CD1 3.74Å; L487-L491 HydrophobicContact CD2-CB 3.63Å; L487-L491 HydrophobicContact CD2-CD1 3.49Å; L487-L491 VanDerWaalsContact CD2-CD1 3.49Å; L487-L491 HydrophobicContact CD2-CG 4.16Å; L487-L491 HydrophobicContact CG-CD1 3.59Å
488	N	67	Low	83.1	Confident	85 Å²	85	36 Å²	36	46%	0.455	19%	0.187	S	C	.	.			trans	-67.1	119.5	163.6	-176.1	-4.1	0	0	0	110.1	D490 L491	N488-D490 PolarHBondContact ND2-OD2 3.44Å; N488-D490 PolarHBondContact O-N 3.17Å; N488-D490 WeakPolarHBondContact OD1-CB 3.37Å; N488-D490 PolarHBondContact OD1-N 3.12Å; N488-D490 PolarHBondContact OD1-OD2 3.23Å; N488-D490 VanDerWaalsContact OD1-OD2 3.05Å; N488-L491 PolarHBondContact O-N 3.01Å; N488-L491 VanDerWaalsContact O-N 3.09Å
489	V	67.5	Low	83	Confident	26 Å²	26	32.1 Å²	32.1	16%	0.158	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-49.1	-30.8	175.6	-178.6	0	0	0	0	112.6	L487 L491 L492 N518 L522	L487-V489 PolarHBondContact O-N 3.11Å; V489-L491 PolarHBondContact O-N 3.05Å; V489-L491 VanDerWaalsContact O-N 3.14Å; V489-L492 PolarHBondContact O-N 3.04Å; V489-N518 HydrophobicContact CG2-CB 3.97Å; V489-L522 HydrophobicContact CG1-CB 3.7Å; V489-L522 HydrophobicContact CG1-CD1 3.53Å; V489-L522 HydrophobicContact CG1-CD2 4.28Å; V489-L522 HydrophobicContact CG1-CG 4Å
490	D	75.8	Confident	82.9	Confident	70 Å²	70	31.3 Å²	31.3	37%	0.374	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-65.8	-13.6	-178.5	-55.2	-30	0	0	0	114.3	N488 L492 D493	N488-D490 PolarHBondContact ND2-OD2 3.44Å; N488-D490 PolarHBondContact O-N 3.17Å; N488-D490 WeakPolarHBondContact OD1-CB 3.37Å; N488-D490 PolarHBondContact OD1-N 3.12Å; N488-D490 PolarHBondContact OD1-OD2 3.23Å; N488-D490 VanDerWaalsContact OD1-OD2 3.05Å; D490-L492 VanDerWaalsContact C-N 3.32Å; D490-D493 WeakPolarHBondContact O-CB 3.47Å; D490-D493 PolarHBondContact O-N 3Å
491	L	78.9	Confident	82.6	Confident	5 Å²	5	33.5 Å²	33.5	3%	0.026	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-73.5	-25.1	177.3	-78.5	165.8	0	0	0	112.5	S461 L464 R465 L468 L487 N488 V489 D493 A494	S461-L491 WeakPolarHBondContact O-CD2 3.29Å; L464-L491 HydrophobicContact CD2-CD1 3.93Å; R465-L491 HydrophobicContact CB-CD2 3.87Å; L468-L491 HydrophobicContact CD1-CB 4.41Å; L468-L491 VanDerWaalsContact CD1-O 3.23Å; L468-L491 WeakPolarHBondContact CD1-O 3.16Å; L487-L491 HydrophobicContact CD1-CD1 3.74Å; L487-L491 HydrophobicContact CD2-CB 3.63Å; L487-L491 HydrophobicContact CD2-CD1 3.49Å; L487-L491 VanDerWaalsContact CD2-CD1 3.49Å; L487-L491 HydrophobicContact CD2-CG 4.16Å; L487-L491 HydrophobicContact CG-CD1 3.59Å; N488-L491 PolarHBondContact O-N 3.01Å; N488-L491 VanDerWaalsContact O-N 3.09Å; V489-L491 PolarHBondContact O-N 3.05Å; V489-L491 VanDerWaalsContact O-N 3.14Å; L491-D493 PolarHBondContact O-N 3.41Å; L491-A494 WeakPolarHBondContact O-CB 3.4Å; L491-A494 PolarHBondContact O-N 2.62Å; L491-A494 VanDerWaalsContact O-N 3.08Å
492	L	83.3	Confident	82.5	Confident	3 Å²	3	34.7 Å²	34.7	2%	0.016	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-67	-25.1	172.3	-88.5	158.5	0	0	0	112.9	L482 W484 V489 D490 A494 I495 L522 L526 R529	L482-L492 HydrophobicContact CD1-CD2 4.11Å; W484-L492 HydrophobicContact CE3-CD1 4.23Å; W484-L492 HydrophobicContact CH2-CD1 3.77Å; W484-L492 HydrophobicContact CH2-CD2 3.2Å; W484-L492 HydrophobicContact CH2-CG 3.24Å; W484-L492 HydrophobicContact CZ2-CD2 4.39Å; W484-L492 HydrophobicContact CZ2-CG 4.19Å; W484-L492 HydrophobicContact CZ3-CD1 3.44Å; W484-L492 VanDerWaalsContact CZ3-CD1 3.44Å; W484-L492 HydrophobicContact CZ3-CD2 3.48Å; W484-L492 VanDerWaalsContact CZ3-CD2 3.48Å; W484-L492 HydrophobicContact CZ3-CG 3.49Å; W484-L492 VanDerWaalsContact CZ3-CG 3.49Å; V489-L492 PolarHBondContact O-N 3.04Å; D490-L492 VanDerWaalsContact C-N 3.32Å; L492-A494 PolarHBondContact O-N 3.14Å; L492-I495 HydrophobicContact CD2-CD1 3.75Å; L492-I495 PolarHBondContact O-N 3.33Å; L492-L522 HydrophobicContact CB-CD1 3.8Å; L492-L522 HydrophobicContact CD1-CD1 3.25Å; L492-L522 HydrophobicContact CD1-CD2 3.18Å; L492-L522 HydrophobicContact CD1-CG 3.66Å; L492-L522 HydrophobicContact CG-CD1 4.13Å; L492-L526 HydrophobicContact CD1-CD1 4.22Å; L492-L526 HydrophobicContact CD2-CD1 4.19Å; L492-L526 HydrophobicContact CD2-CD2 4.29Å; L492-R529 PolarHBondContact O-NH1 3.11Å
493	D	86.6	Confident	82.7	Confident	69 Å²	69	34.7 Å²	34.7	37%	0.369	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-68.9	-14.9	173.3	-65	-31	0	0	0	112.4	D490 L491 I495 R525 R529	D490-D493 WeakPolarHBondContact O-CB 3.47Å; D490-D493 PolarHBondContact O-N 3Å; L491-D493 PolarHBondContact O-N 3.41Å; D493-I495 VanDerWaalsContact C-N 3.34Å; D493-R525 IonicContact OD2-NH1 2.72Å; D493-R529 IonicContact OD1-NH1 3.3Å; D493-R529 PolarHBondContact OD1-NH1 2.92Å
494	A	91.1	Very high	83.2	Confident	10 Å²	10	39.4 Å²	39.4	8%	0.083	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-73.7	-22.3	174.6	0	0	0	0	0	114.2	R465 L468 Y469 L491 L492 P496	R465-A494 HydrophobicContact CB-CB 4.22Å; R465-A494 HydrophobicContact CG-CB 3.69Å; L468-A494 HydrophobicContact CB-CB 3.84Å; L468-A494 HydrophobicContact CD1-CB 4.28Å; Y469-A494 VanDerWaalsContact CA-O 3.3Å; Y469-A494 WeakPolarHBondContact CA-O 3.41Å; Y469-A494 PolarHBondContact N-O 3.38Å; L491-A494 WeakPolarHBondContact O-CB 3.4Å; L491-A494 PolarHBondContact O-N 2.62Å; L491-A494 VanDerWaalsContact O-N 3.08Å; L492-A494 PolarHBondContact O-N 3.14Å; A494-P496 WeakPolarHBondContact O-CD 3.42Å
495	I	93.5	Very high	84.2	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.005	22%	0.219	C	C	.	.	S	Bend	trans	-68.6	124.5	178.6	-58.5	177.7	0	0	0	107.5	L468 L471 L480 L482 L492 D493 V499 L500 R529	L468-I495 HydrophobicContact CB-CG1 4.18Å; L468-I495 HydrophobicContact CD2-CG1 4.17Å; L471-I495 HydrophobicContact CD1-CG1 4.31Å; L471-I495 HydrophobicContact CD1-CG2 4.26Å; L480-I495 HydrophobicContact CD2-CD1 3.98Å; L482-I495 HydrophobicContact CD1-CD1 3.7Å; L492-I495 HydrophobicContact CD2-CD1 3.75Å; L492-I495 PolarHBondContact O-N 3.33Å; D493-I495 VanDerWaalsContact C-N 3.34Å; I495-V499 HydrophobicContact CG2-CB 4.03Å; I495-V499 HydrophobicContact CG2-CG1 4.1Å; I495-L500 HydrophobicContact CG2-CD2 3.87Å; I495-L500 HydrophobicContact CG2-CG 3.91Å; I495-R529 PolarHBondContact O-NH2 3.31Å
496	P	94.4	Very high	85.4	Confident	23 Å²	23	40 Å²	40	15%	0.149	22%	0.217	C	C	.	.			trans	-65	144	179	-22.4	33.7	0	0	0	111.8	L468 Y469 Y472 A494 A498 V499 L500	L468-P496 WeakPolarHBondContact O-CD 3.33Å; Y469-P496 HydrophobicContact CD2-CG 4.22Å; Y469-P496 WeakPolarHBondContact O-CG 3.4Å; Y472-P496 HydrophobicContact CD1-CG 4.28Å; A494-P496 WeakPolarHBondContact O-CD 3.42Å; P496-A498 PolarHBondContact O-N 3.32Å; P496-V499 HydrophobicContact CB-CG2 4.2Å; P496-V499 HydrophobicContact CG-CG2 4.24Å; P496-V499 WeakPolarHBondContact O-CB 3.48Å; P496-V499 PolarHBondContact O-N 3.35Å; P496-L500 PolarHBondContact O-N 3.05Å
497	D	93.1	Very high	86.8	Confident	77 Å²	77	36.6 Å²	36.6	41%	0.412	20%	0.203	S	C	.	.	H	α-helix	trans	-57.8	-39.8	178.6	-71.6	-14.3	0	0	0	111.4	V499 L500 H501 R529	D497-V499 PolarHBondContact O-N 3.33Å; D497-L500 CarbonylContact O-C 3.46Å; D497-L500 WeakPolarHBondContact O-CA 3.35Å; D497-L500 WeakPolarHBondContact O-CB 3.32Å; D497-L500 PolarHBondContact O-N 3.25Å; D497-H501 VanDerWaalsContact C-ND1 3.28Å; D497-H501 WeakPolarHBondContact O-CB 3.39Å; D497-H501 PolarHBondContact O-N 3.1Å; D497-H501 PolarHBondContact O-ND1 3.14Å; D497-R529 IonicContact OD1-CZ 3.28Å; D497-R529 VanDerWaalsContact OD1-CZ 3.28Å; D497-R529 IonicContact OD1-NE 2.83Å; D497-R529 PolarHBondContact OD1-NE 3.19Å; D497-R529 IonicContact OD1-NH2 2.76Å; D497-R529 PolarHBondContact OD1-NH2 3.14Å
498	A	92.4	Very high	88.4	Confident	58 Å²	58	34.6 Å²	34.6	48%	0.479	19%	0.193	S	C	.	.	H	α-helix	trans	-53.5	-31.3	175.8	0	0	0	0	0	113.5	P496 N502	P496-A498 PolarHBondContact O-N 3.32Å; A498-N502 PolarHBondContact O-N 3.11Å; A498-N502 PolarHBondContact O-ND2 2.89Å; A498-N502 VanDerWaalsContact O-ND2 3.12Å
499	V	94.4	Very high	89.3	Confident	7 Å²	7	31.7 Å²	31.7	4%	0.042	18%	0.176	C	C	.	.	H	α-helix	trans	-72.5	-49.5	175.1	178.6	0	0	0	0	110.3	L471 Y472 L477 I495 P496 D497 H501 N502 I503	L471-V499 VanDerWaalsContact C-CG2 3.42Å; L471-V499 HydrophobicContact CB-CB 4.49Å; L471-V499 HydrophobicContact CB-CG1 4.06Å; L471-V499 HydrophobicContact CB-CG2 3.78Å; Y472-V499 VanDerWaalsContact CA-CG2 3.48Å; Y472-V499 VanDerWaalsContact N-CG2 3.31Å; L477-V499 HydrophobicContact CD2-CG1 4.07Å; I495-V499 HydrophobicContact CG2-CB 4.03Å; I495-V499 HydrophobicContact CG2-CG1 4.1Å; P496-V499 HydrophobicContact CB-CG2 4.2Å; P496-V499 HydrophobicContact CG-CG2 4.24Å; P496-V499 WeakPolarHBondContact O-CB 3.48Å; P496-V499 PolarHBondContact O-N 3.35Å; D497-V499 PolarHBondContact O-N 3.33Å; V499-H501 PolarHBondContact O-N 2.94Å; V499-N502 PolarHBondContact O-N 3.22Å; V499-I503 HydrophobicContact CG1-CG2 4.23Å; V499-I503 PolarHBondContact O-N 3.4Å
500	L	93.6	Very high	90.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58.4	-33.1	176	-62.7	178.7	0	0	0	111.4	R399 I495 P496 D497 N502 I503 L506 L526 R529	R399-L500 PolarHBondContact NH1-O 3.14Å; R399-L500 PolarHBondContact NH2-O 2.89Å; I495-L500 HydrophobicContact CG2-CD2 3.87Å; I495-L500 HydrophobicContact CG2-CG 3.91Å; P496-L500 PolarHBondContact O-N 3.05Å; D497-L500 CarbonylContact O-C 3.46Å; D497-L500 WeakPolarHBondContact O-CA 3.35Å; D497-L500 WeakPolarHBondContact O-CB 3.32Å; D497-L500 PolarHBondContact O-N 3.25Å; L500-N502 VanDerWaalsContact C-N 3.31Å; L500-N502 PolarHBondContact O-N 2.92Å; L500-I503 HydrophobicContact CD2-CD1 4.01Å; L500-L506 HydrophobicContact CD2-CD2 4.2Å; L500-L526 HydrophobicContact CD1-CD2 4.33Å; L500-R529 HydrophobicContact CD1-CB 3.66Å
501	H	90.5	Very high	90.1	Very high	46 Å²	46	27.6 Å²	27.6	21%	0.213	15%	0.152	C	C	.	.	H	α-helix	trans	-71.5	-18	174.7	-72.7	84.4	0	0	0	114.5	R399 D497 V499 R531 N533	R399-H501 PolarHBondContact NH1-O 2.82Å; D497-H501 VanDerWaalsContact C-ND1 3.28Å; D497-H501 WeakPolarHBondContact O-CB 3.39Å; D497-H501 PolarHBondContact O-N 3.1Å; D497-H501 PolarHBondContact O-ND1 3.14Å; V499-H501 PolarHBondContact O-N 2.94Å; H501-R531 PolarHBondContact CD2-O 3.47Å; H501-R531 PolarHBondContact NE2-O 3.41Å; H501-N533 PolarHBondContact NE2-ND2 3.29Å
502	N	91	Very high	89.7	Confident	93 Å²	93	33.5 Å²	33.5	50%	0.497	18%	0.178	S	C	.	.	H	α-helix	trans	-106.9	-23.7	-177.7	-72.8	-21.5	0	0	0	114.1	A498 V499 L500	A498-N502 PolarHBondContact O-N 3.11Å; A498-N502 PolarHBondContact O-ND2 2.89Å; A498-N502 VanDerWaalsContact O-ND2 3.12Å; V499-N502 PolarHBondContact O-N 3.22Å; L500-N502 VanDerWaalsContact C-N 3.31Å; L500-N502 PolarHBondContact O-N 2.92Å
503	I	94.3	Very high	89	Confident	1 Å²	1	38 Å²	38	1%	0.005	20%	0.202	C	C	.	.			trans	-75.4	149.2	-179.8	61	175.7	0	0	0	112.1	R399 L477 L480 V499 L500 L506 F530	R399-I503 WeakPolarHBondContact CD-O 3.1Å; R399-I503 PolarHBondContact NH1-O 3Å; L477-I503 HydrophobicContact CB-CG2 4.39Å; L477-I503 HydrophobicContact CD2-CG2 3.98Å; L477-I503 HydrophobicContact CG-CG2 3.91Å; L480-I503 HydrophobicContact CB-CD1 4.25Å; V499-I503 HydrophobicContact CG1-CG2 4.23Å; V499-I503 PolarHBondContact O-N 3.4Å; L500-I503 HydrophobicContact CD2-CD1 4.01Å; I503-L506 HydrophobicContact CD1-CB 3.88Å; I503-L506 HydrophobicContact CD1-CD1 4.22Å; I503-F530 HydrophobicContact CD1-CD2 4.42Å; I503-F530 HydrophobicContact CD1-CE2 3.82Å; I503-F530 HydrophobicContact CG1-CD2 4.45Å; I503-F530 HydrophobicContact CG1-CE2 3.72Å
504	E	94.8	Very high	88.6	Confident	104 Å²	104	35.7 Å²	35.7	49%	0.486	19%	0.191	S	C	.	.	S	Bend	trans	-92.7	-32.5	174.8	-67.4	172.6	-162.9	0	0	111.5	K398 R399 R478	K398-E504 CarbonylContact C-O 3.58Å; K398-E504 WeakPolarHBondContact CA-O 3.43Å; R399-E504 PolarHBondContact N-O 2.98Å; R478-E504 HydrophobicContact CB-CG 4.35Å; R478-E504 WeakPolarHBondContact CD-OE1 3.16Å; R478-E504 IonicContact NE-OE1 3.58Å; R478-E504 PolarHBondContact O-N 3.3Å
505	V	95.3	Very high	88.2	Confident	27 Å²	27	38.2 Å²	38.2	16%	0.164	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	125.3	-177.2	-177.6	0	0	0	0	110.2	V396 F397 K398 R478 V479 L480 D507	V396-V505 HydrophobicContact CG1-CG1 3.86Å; F397-V505 WeakPolarHBondContact O-CA 3.49Å; K398-V505 HydrophobicContact CG-CG2 4.3Å; R478-V505 PolarHBondContact O-N 2.95Å; V479-V505 WeakPolarHBondContact CA-O 3.47Å; V479-V505 HydrophobicContact CG1-CB 4.14Å; V479-V505 HydrophobicContact CG1-CG1 4.31Å; V479-V505 HydrophobicContact CG2-CB 4.23Å; V479-V505 HydrophobicContact CG2-CG2 4.47Å; L480-V505 PolarHBondContact N-O 3.49Å; V505-D507 HydrophobicContact CG1-CB 4.32Å
506	L	95.1	Very high	87.7	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	112.7	164.4	178.7	67.5	0	0	0	108.1	V396 F397 L480 L482 L500 I503 L508 L526 F530	V396-L506 CarbonylContact C-O 3.58Å; V396-L506 WeakPolarHBondContact CA-O 3.49Å; F397-L506 HydrophobicContact CB-CB 4.11Å; F397-L506 HydrophobicContact CD2-CB 4.35Å; F397-L506 HydrophobicContact CD2-CD2 4.04Å; F397-L506 HydrophobicContact CD2-CG 4.33Å; F397-L506 HydrophobicContact CE2-CD2 4.48Å; F397-L506 PolarHBondContact N-O 2.93Å; F397-L506 PolarHBondContact O-N 2.81Å; L480-L506 HydrophobicContact CB-CD1 4.14Å; L480-L506 HydrophobicContact CD2-CD1 3.95Å; L480-L506 HydrophobicContact CG-CD1 4.07Å; L480-L506 WeakPolarHBondContact O-CA 3.23Å; L482-L506 HydrophobicContact CD1-CD1 4.12Å; L500-L506 HydrophobicContact CD2-CD2 4.2Å; I503-L506 HydrophobicContact CD1-CB 3.88Å; I503-L506 HydrophobicContact CD1-CD1 4.22Å; L506-L508 HydrophobicContact CD1-CD2 3.71Å; L506-L508 HydrophobicContact CD2-CD1 4.26Å; L506-L508 HydrophobicContact CD2-CD2 4.26Å; L506-L508 HydrophobicContact CD2-CG 4.39Å; L506-L508 HydrophobicContact CG-CD1 4.42Å; L506-L508 HydrophobicContact CG-CD2 3.74Å; L506-L508 HydrophobicContact CG-CG 4.01Å; L506-L526 HydrophobicContact CD2-CD1 4.1Å; L506-L526 HydrophobicContact CD2-CD2 4.43Å; L506-F530 HydrophobicContact CB-CD2 4.41Å; L506-F530 HydrophobicContact CB-CE2 3.88Å
507	D	92.4	Very high	87.2	Confident	22 Å²	22	41.2 Å²	41.2	12%	0.118	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	110.9	-173.8	-173.9	-16.1	0	0	0	109	H394 L480 R481 L482 V505 W509	H394-D507 IonicContact CD2-OD1 3.86Å; H394-D507 PolarHBondContact CD2-OD1 2.88Å; H394-D507 VanDerWaalsContact CD2-OD1 3.31Å; H394-D507 IonicContact CE1-OD1 3.86Å; H394-D507 IonicContact NE2-OD1 3.91Å; H394-D507 PolarHBondContact NE2-OD1 2.82Å; H394-D507 IonicContact NE2-OD2 3.3Å; L480-D507 PolarHBondContact O-N 2.81Å; R481-D507 CarbonylContact C-O 3.55Å; R481-D507 VanDerWaalsContact CA-O 3.25Å; R481-D507 WeakPolarHBondContact CA-O 3.26Å; R481-D507 HydrophobicContact CB-CB 4.09Å; R481-D507 HydrophobicContact CG-CB 3.84Å; R481-D507 IonicContact NE-OD2 2.72Å; L482-D507 PolarHBondContact N-O 2.9Å; V505-D507 HydrophobicContact CG1-CB 4.32Å; D507-W509 PolarHBondContact OD1-NE1 3.42Å
508	L	91	Very high	86.8	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.4	-171.6	-55.1	-174.5	0	0	0	110.6	H394 V395 F397 L482 W484 L506 F510 L526	H394-L508 PolarHBondContact CD2-O 3.21Å; V395-L508 HydrophobicContact CB-CB 4.48Å; V395-L508 PolarHBondContact N-O 3.36Å; V395-L508 PolarHBondContact O-N 2.78Å; F397-L508 HydrophobicContact CD2-CD1 4.47Å; F397-L508 HydrophobicContact CE2-CD1 3.93Å; L482-L508 HydrophobicContact CB-CD2 3.86Å; L482-L508 HydrophobicContact CD1-CD2 3.94Å; L482-L508 HydrophobicContact CG-CD2 4.22Å; L482-L508 WeakPolarHBondContact O-CA 3.49Å; W484-L508 HydrophobicContact CE3-CD2 4.43Å; W484-L508 HydrophobicContact CZ3-CD2 3.73Å; L506-L508 HydrophobicContact CD1-CD2 3.71Å; L506-L508 HydrophobicContact CD2-CD1 4.26Å; L506-L508 HydrophobicContact CD2-CD2 4.26Å; L506-L508 HydrophobicContact CD2-CG 4.39Å; L506-L508 HydrophobicContact CG-CD1 4.42Å; L506-L508 HydrophobicContact CG-CD2 3.74Å; L506-L508 HydrophobicContact CG-CG 4.01Å; L508-F510 HydrophobicContact CB-CE2 3.83Å; L508-F510 HydrophobicContact CB-CZ 3.94Å; L508-F510 HydrophobicContact CD1-CZ 4.01Å; L508-L526 HydrophobicContact CD1-CD1 3.53Å
509	W	86.6	Confident	86.6	Confident	24 Å²	24	38.1 Å²	38.1	9%	0.091	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	134.8	171.5	-58.3	69.6	0	0	0	109.5	L391 H394 L438 P441 L482 I483 W484 D507	L391-W509 HydrophobicContact CB-CE3 4.04Å; L391-W509 HydrophobicContact CD1-CB 4.1Å; L391-W509 HydrophobicContact CD1-CD2 4.04Å; L391-W509 HydrophobicContact CD1-CE3 3.6Å; L391-W509 HydrophobicContact CD1-CG 4.28Å; L391-W509 HydrophobicContact CD1-CZ3 4.33Å; L391-W509 HydrophobicContact CD2-CB 4.01Å; L391-W509 HydrophobicContact CG-CE3 4.38Å; H394-W509 HydrophobicContact CB-CD2 4.27Å; H394-W509 HydrophobicContact CB-CE3 3.92Å; H394-W509 HydrophobicContact CB-CH2 4.32Å; H394-W509 HydrophobicContact CB-CZ3 3.94Å; H394-W509 AromaticContact CD2-CD1 3.88Å; H394-W509 AromaticContact CD2-CD2 3.54Å; H394-W509 AromaticContact CD2-CE2 3.22Å; H394-W509 AromaticContact CD2-CG 3.97Å; H394-W509 AromaticContact CD2-CZ2 3.54Å; H394-W509 AromaticContact CD2-NE1 3.39Å; H394-W509 PolarHBondContact CD2-NE1 2.72Å; H394-W509 AromaticContact CE1-CZ2 3.88Å; H394-W509 AromaticContact CG-CE2 3.9Å; H394-W509 AromaticContact CG-CH2 3.94Å; H394-W509 AromaticContact CG-CZ2 3.86Å; H394-W509 AromaticContact NE2-CE2 3.49Å; H394-W509 AromaticContact NE2-CZ2 3.55Å; H394-W509 AromaticContact NE2-NE1 3.48Å; H394-W509 PolarHBondContact NE2-NE1 3.27Å; L438-W509 HydrophobicContact CB-CH2 3.82Å; L438-W509 HydrophobicContact CB-CZ3 4.5Å; L438-W509 HydrophobicContact CD1-CH2 3.54Å; L438-W509 HydrophobicContact CD1-CZ2 3.7Å; L438-W509 HydrophobicContact CG-CH2 4.33Å; P441-W509 HydrophobicContact CB-CH2 4.17Å; P441-W509 HydrophobicContact CB-CZ2 4.09Å; P441-W509 VanDerWaalsContact CD-CZ3 3.44Å; P441-W509 HydrophobicContact CG-CD2 4.2Å; P441-W509 HydrophobicContact CG-CE3 4.05Å; P441-W509 HydrophobicContact CG-CH2 3.96Å; P441-W509 HydrophobicContact CG-CZ2 4.15Å; P441-W509 HydrophobicContact CG-CZ3 3.93Å; L482-W509 PolarHBondContact O-N 3.29Å; I483-W509 HydrophobicContact CB-CB 4.43Å; I483-W509 HydrophobicContact CG1-CB 4.44Å; I483-W509 HydrophobicContact CG1-CG 4.27Å; I483-W509 HydrophobicContact CG2-CB 4.16Å; W484-W509 WeakPolarHBondContact CA-O 3.46Å; W484-W509 WeakPolarHBondContact CB-O 3.39Å; W484-W509 PolarHBondContact N-O 3.15Å; W484-W509 VanDerWaalsContact O-O 3.13Å; D507-W509 PolarHBondContact OD1-NE1 3.42Å
510	F	83.1	Confident	86.2	Confident	8 Å²	8	38.2 Å²	38.2	4%	0.035	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	138	178.5	-54.9	-86.7	0	0	0	110	D392 V393 V395 W484 L508 T514 I519 L522	D392-F510 PolarHBondContact N-O 3.3Å; V393-F510 HydrophobicContact CB-CB 4.13Å; V393-F510 HydrophobicContact CB-CD2 4.14Å; V393-F510 HydrophobicContact CG1-CD2 3.88Å; V393-F510 PolarHBondContact N-O 3.45Å; V393-F510 WeakPolarHBondContact O-CD2 3.46Å; V393-F510 PolarHBondContact O-N 3.16Å; V395-F510 HydrophobicContact CB-CE2 4.19Å; V395-F510 HydrophobicContact CG2-CD2 4.38Å; V395-F510 HydrophobicContact CG2-CE2 3.88Å; W484-F510 CarbonylContact O-C 3.6Å; W484-F510 VanDerWaalsContact O-C 3.28Å; W484-F510 WeakPolarHBondContact O-CA 3.33Å; L508-F510 HydrophobicContact CB-CE2 3.83Å; L508-F510 HydrophobicContact CB-CZ 3.94Å; L508-F510 HydrophobicContact CD1-CZ 4.01Å; F510-T514 HydrophobicContact CD1-CG2 4.3Å; F510-I519 HydrophobicContact CB-CD1 4Å; F510-I519 HydrophobicContact CB-CG1 4.48Å; F510-I519 HydrophobicContact CD1-CG1 4.16Å; F510-I519 HydrophobicContact CD2-CD1 4.33Å; F510-I519 HydrophobicContact CD2-CG1 4.44Å; F510-I519 HydrophobicContact CD2-CG2 4.14Å; F510-I519 HydrophobicContact CE2-CG2 3.92Å; F510-I519 HydrophobicContact CG-CD1 4.05Å; F510-I519 HydrophobicContact CG-CG1 4.1Å; F510-I519 HydrophobicContact CZ-CG2 4.21Å; F510-L522 HydrophobicContact CE1-CD2 3.44Å; F510-L522 VanDerWaalsContact CE1-CD2 3.44Å; F510-L522 HydrophobicContact CZ-CD2 3.61Å
511	G	76.6	Confident	85.8	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	157.4	172.8	0	0	0	0	0	111.8	F390 W484 K485 D513 T514	F390-G511 WeakPolarHBondContact O-CA 3.48Å; W484-G511 PolarHBondContact O-N 2.91Å; K485-G511 WeakPolarHBondContact O-CA 3.38Å; G511-D513 PolarHBondContact O-N 2.99Å; G511-D513 VanDerWaalsContact O-N 3.15Å; G511-T514 WeakPolarHBondContact O-CB 3.34Å; G511-T514 PolarHBondContact O-N 3.06Å; G511-T514 PolarHBondContact O-OG1 3.02Å; G511-T514 VanDerWaalsContact O-OG1 3.07Å
512	F	70.1	Confident	85.7	Confident	129 Å²	129	39.1 Å²	39.1	57%	0.566	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-33.7	-178.9	-178.1	-96	0	0	0	114.4	F390 D392 T514	F390-F512 HydrophobicContact CB-CB 4.41Å; F390-F512 PolarHBondContact O-N 2.75Å; D392-F512 HydrophobicContact CB-CB 4.1Å; D392-F512 HydrophobicContact CB-CD2 4.06Å; F512-T514 PolarHBondContact O-N 2.91Å
513	D	69.7	Low	85.6	Confident	97 Å²	97	34.7 Å²	34.7	52%	0.519	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-5	-177	-60.2	-33.2	0	0	0	113.8	G511 P515	G511-D513 PolarHBondContact O-N 2.99Å; G511-D513 VanDerWaalsContact O-N 3.15Å; D513-P515 VanDerWaalsContact O-CD 3.24Å; D513-P515 WeakPolarHBondContact O-CD 3.47Å
514	T	77	Confident	85.3	Confident	21 Å²	21	37.4 Å²	37.4	13%	0.129	20%	0.201	C	C	.	.	S	Bend	trans	-75.8	117.2	-178.8	-48.5	0	0	0	0	109.9	F510 G511 F512 V516 I519	F510-T514 HydrophobicContact CD1-CG2 4.3Å; G511-T514 WeakPolarHBondContact O-CB 3.34Å; G511-T514 PolarHBondContact O-N 3.06Å; G511-T514 PolarHBondContact O-OG1 3.02Å; G511-T514 VanDerWaalsContact O-OG1 3.07Å; F512-T514 PolarHBondContact O-N 2.91Å; T514-V516 PolarHBondContact O-N 2.75Å; T514-I519 HydrophobicContact CG2-CD1 4.04Å; T514-I519 HydrophobicContact CG2-CG1 3.56Å
515	P	83	Confident	84.9	Confident	63 Å²	63	37.8 Å²	37.8	41%	0.409	20%	0.198	S	C	.	.			trans	-58.7	133.6	178.9	-23.9	34.6	0	0	0	111	D513 S517 N518 I519	D513-P515 VanDerWaalsContact O-CD 3.24Å; D513-P515 WeakPolarHBondContact O-CD 3.47Å; P515-S517 PolarHBondContact O-N 2.89Å; P515-S517 VanDerWaalsContact O-N 3.13Å; P515-N518 HydrophobicContact CB-CB 4.37Å; P515-N518 WeakPolarHBondContact O-CA 3.37Å; P515-N518 WeakPolarHBondContact O-CB 3.46Å; P515-N518 PolarHBondContact O-N 3.13Å; P515-I519 PolarHBondContact O-N 3.34Å; P515-I519 VanDerWaalsContact O-N 3.13Å
516	V	83	Confident	84.7	Confident	20 Å²	20	36.6 Å²	36.6	12%	0.121	19%	0.19	C	C	.	.	H	α-helix	trans	-55.5	-34.9	178.5	175.8	0	0	0	0	111.8	L412 M415 T514 N518 I519 T520	L412-V516 HydrophobicContact CD2-CG1 3.68Å; M415-V516 HydrophobicContact CE-CG1 3.92Å; M415-V516 HydrophobicContact SD-CG1 3.6Å; T514-V516 PolarHBondContact O-N 2.75Å; V516-N518 VanDerWaalsContact C-N 3.32Å; V516-N518 PolarHBondContact O-N 3.3Å; V516-I519 PolarHBondContact O-N 2.87Å; V516-T520 HydrophobicContact CG1-CG2 4.3Å; V516-T520 WeakPolarHBondContact O-CG2 3.26Å; V516-T520 PolarHBondContact O-N 2.87Å; V516-T520 PolarHBondContact O-OG1 3.17Å
517	S	84.8	Confident	84.4	Confident	67 Å²	67	36.6 Å²	36.6	47%	0.469	19%	0.19	S	C	.	.	H	α-helix	trans	-57.3	-43.9	173.9	51.8	0	0	0	0	112.4	P515 T520 T521	P515-S517 PolarHBondContact O-N 2.89Å; P515-S517 VanDerWaalsContact O-N 3.13Å; S517-T520 VanDerWaalsContact C-OG1 3.32Å; S517-T520 VanDerWaalsContact CA-OG1 3.31Å; S517-T520 WeakPolarHBondContact CA-OG1 3.19Å; S517-T520 PolarHBondContact O-N 3.44Å; S517-T520 PolarHBondContact O-OG1 2.78Å; S517-T521 PolarHBondContact O-N 3.35Å; S517-T521 PolarHBondContact O-OG1 2.79Å; S517-T521 VanDerWaalsContact O-OG1 3.1Å
518	N	85.1	Confident	84.1	Confident	70 Å²	70	36.7 Å²	36.7	37%	0.374	20%	0.197	S	C	.	.	H	α-helix	trans	-67	-42.2	179.5	-67.4	6.8	0	0	0	110.6	V489 P515 V516 T520 T521 L522	V489-N518 HydrophobicContact CG2-CB 3.97Å; P515-N518 HydrophobicContact CB-CB 4.37Å; P515-N518 WeakPolarHBondContact O-CA 3.37Å; P515-N518 WeakPolarHBondContact O-CB 3.46Å; P515-N518 PolarHBondContact O-N 3.13Å; V516-N518 VanDerWaalsContact C-N 3.32Å; V516-N518 PolarHBondContact O-N 3.3Å; N518-T520 VanDerWaalsContact C-N 3.34Å; N518-T520 PolarHBondContact O-N 3.46Å; N518-T521 PolarHBondContact O-N 2.95Å; N518-L522 VanDerWaalsContact O-CB 3.25Å; N518-L522 WeakPolarHBondContact O-CB 3.44Å; N518-L522 PolarHBondContact O-N 3.26Å
519	I	86.8	Confident	84.1	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-60.7	-44.8	174.8	-57.9	173.4	0	0	0	110.3	V393 L412 F510 T514 P515 V516 L522 I523	V393-I519 HydrophobicContact CB-CD1 3.85Å; V393-I519 HydrophobicContact CG1-CD1 3.96Å; V393-I519 HydrophobicContact CG1-CG2 4.14Å; V393-I519 HydrophobicContact CG2-CD1 3.81Å; L412-I519 HydrophobicContact CD1-CG2 3.9Å; F510-I519 HydrophobicContact CB-CD1 4Å; F510-I519 HydrophobicContact CB-CG1 4.48Å; F510-I519 HydrophobicContact CD1-CG1 4.16Å; F510-I519 HydrophobicContact CD2-CD1 4.33Å; F510-I519 HydrophobicContact CD2-CG1 4.44Å; F510-I519 HydrophobicContact CD2-CG2 4.14Å; F510-I519 HydrophobicContact CE2-CG2 3.92Å; F510-I519 HydrophobicContact CG-CD1 4.05Å; F510-I519 HydrophobicContact CG-CG1 4.1Å; F510-I519 HydrophobicContact CZ-CG2 4.21Å; T514-I519 HydrophobicContact CG2-CD1 4.04Å; T514-I519 HydrophobicContact CG2-CG1 3.56Å; P515-I519 PolarHBondContact O-N 3.34Å; P515-I519 VanDerWaalsContact O-N 3.13Å; V516-I519 PolarHBondContact O-N 2.87Å; I519-L522 PolarHBondContact O-N 3.07Å; I519-I523 HydrophobicContact CG2-CD1 3.74Å; I519-I523 HydrophobicContact CG2-CG1 4.31Å; I519-I523 VanDerWaalsContact O-CG1 3.24Å; I519-I523 WeakPolarHBondContact O-CG1 3.31Å; I519-I523 PolarHBondContact O-N 2.86Å
520	T	86.2	Confident	84.2	Confident	9 Å²	9	37.5 Å²	37.5	6%	0.055	20%	0.2	C	C	.	.	H	α-helix	trans	-63.7	-47.1	179.3	49.5	0	0	0	0	112.5	L412 M415 F416 V516 S517 N518 L522 I523 E524	L412-T520 HydrophobicContact CD2-CG2 3.7Å; M415-T520 HydrophobicContact CE-CG2 4.08Å; F416-T520 HydrophobicContact CE1-CG2 3.7Å; F416-T520 HydrophobicContact CZ-CG2 3.82Å; V516-T520 HydrophobicContact CG1-CG2 4.3Å; V516-T520 WeakPolarHBondContact O-CG2 3.26Å; V516-T520 PolarHBondContact O-N 2.87Å; V516-T520 PolarHBondContact O-OG1 3.17Å; S517-T520 VanDerWaalsContact C-OG1 3.32Å; S517-T520 VanDerWaalsContact CA-OG1 3.31Å; S517-T520 WeakPolarHBondContact CA-OG1 3.19Å; S517-T520 PolarHBondContact O-N 3.44Å; S517-T520 PolarHBondContact O-OG1 2.78Å; N518-T520 VanDerWaalsContact C-N 3.34Å; N518-T520 PolarHBondContact O-N 3.46Å; T520-L522 VanDerWaalsContact C-N 3.26Å; T520-L522 PolarHBondContact O-N 2.98Å; T520-I523 PolarHBondContact O-N 3.39Å; T520-E524 WeakPolarHBondContact O-CG 3.49Å; T520-E524 PolarHBondContact O-N 2.79Å
521	T	85.7	Confident	83.9	Confident	62 Å²	62	41 Å²	41	38%	0.38	21%	0.213	S	C	.	.	H	α-helix	trans	-60	-39.6	177.1	-60.4	0	0	0	0	111.4	S517 N518 E524 R525	S517-T521 PolarHBondContact O-N 3.35Å; S517-T521 PolarHBondContact O-OG1 2.79Å; S517-T521 VanDerWaalsContact O-OG1 3.1Å; N518-T521 PolarHBondContact O-N 2.95Å; T521-E524 PolarHBondContact O-N 2.87Å; T521-R525 WeakPolarHBondContact O-CG 3.46Å; T521-R525 PolarHBondContact O-N 3.26Å; T521-R525 VanDerWaalsContact O-N 3.1Å
522	L	87.3	Confident	83.5	Confident	3 Å²	3	49.2 Å²	49.2	2%	0.016	24%	0.244	C	C	.	.	H	α-helix	trans	-66.4	-45.5	177.5	176	63.9	0	0	0	112.5	V489 L492 F510 N518 I519 T520 E524 R525 L526	V489-L522 HydrophobicContact CG1-CB 3.7Å; V489-L522 HydrophobicContact CG1-CD1 3.53Å; V489-L522 HydrophobicContact CG1-CD2 4.28Å; V489-L522 HydrophobicContact CG1-CG 4Å; L492-L522 HydrophobicContact CB-CD1 3.8Å; L492-L522 HydrophobicContact CD1-CD1 3.25Å; L492-L522 HydrophobicContact CD1-CD2 3.18Å; L492-L522 HydrophobicContact CD1-CG 3.66Å; L492-L522 HydrophobicContact CG-CD1 4.13Å; F510-L522 HydrophobicContact CE1-CD2 3.44Å; F510-L522 VanDerWaalsContact CE1-CD2 3.44Å; F510-L522 HydrophobicContact CZ-CD2 3.61Å; N518-L522 VanDerWaalsContact O-CB 3.25Å; N518-L522 WeakPolarHBondContact O-CB 3.44Å; N518-L522 PolarHBondContact O-N 3.26Å; I519-L522 PolarHBondContact O-N 3.07Å; T520-L522 VanDerWaalsContact C-N 3.26Å; T520-L522 PolarHBondContact O-N 2.98Å; L522-E524 VanDerWaalsContact C-N 3.26Å; L522-E524 PolarHBondContact O-N 3.34Å; L522-R525 PolarHBondContact O-N 2.57Å; L522-L526 HydrophobicContact CD1-CD1 4.09Å; L522-L526 HydrophobicContact CD1-CG 4.13Å; L522-L526 HydrophobicContact CG-CD1 4.06Å; L522-L526 HydrophobicContact CG-CG 4.48Å; L522-L526 WeakPolarHBondContact O-CB 3.21Å; L522-L526 WeakPolarHBondContact O-CG 3.01Å; L522-L526 PolarHBondContact O-N 2.91Å
523	I	89.8	Confident	82.8	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-56.9	-45.1	177	-73.2	167.7	0	0	0	109.8	V395 F397 L406 L412 F416 L427 I519 T520 R525 L526 C527	V395-I523 HydrophobicContact CG1-CD1 4.09Å; V395-I523 HydrophobicContact CG1-CG1 4.22Å; V395-I523 HydrophobicContact CG2-CD1 3.98Å; F397-I523 HydrophobicContact CZ-CB 4.41Å; F397-I523 HydrophobicContact CZ-CG1 4.33Å; F397-I523 HydrophobicContact CZ-CG2 4.11Å; L406-I523 HydrophobicContact CD1-CG2 4.34Å; L406-I523 HydrophobicContact CD2-CG2 3.71Å; L412-I523 HydrophobicContact CD1-CD1 3.85Å; F416-I523 HydrophobicContact CE2-CD1 3.89Å; F416-I523 HydrophobicContact CE2-CG2 4.19Å; F416-I523 HydrophobicContact CZ-CB 4.25Å; F416-I523 HydrophobicContact CZ-CD1 3.8Å; F416-I523 HydrophobicContact CZ-CG2 3.96Å; L427-I523 HydrophobicContact CD1-CG2 4.25Å; I519-I523 HydrophobicContact CG2-CD1 3.74Å; I519-I523 HydrophobicContact CG2-CG1 4.31Å; I519-I523 VanDerWaalsContact O-CG1 3.24Å; I519-I523 WeakPolarHBondContact O-CG1 3.31Å; I519-I523 PolarHBondContact O-N 2.86Å; T520-I523 PolarHBondContact O-N 3.39Å; I523-R525 PolarHBondContact O-N 3.34Å; I523-L526 PolarHBondContact O-N 3.5Å; I523-C527 WeakPolarHBondContact O-CB 3.4Å; I523-C527 PolarHBondContact O-N 3.1Å; I523-C527 PolarHBondContact O-SG 2.78Å
524	E	87.2	Confident	82	Confident	58 Å²	58	54.3 Å²	54.3	27%	0.271	28%	0.277	S	S	.	.	H	α-helix	trans	-61.9	-42.9	178.2	-70.4	-177.1	150	0	0	112.7	T520 T521 L522 C527 G528	T520-E524 WeakPolarHBondContact O-CG 3.49Å; T520-E524 PolarHBondContact O-N 2.79Å; T521-E524 PolarHBondContact O-N 2.87Å; L522-E524 VanDerWaalsContact C-N 3.26Å; L522-E524 PolarHBondContact O-N 3.34Å; E524-C527 WeakPolarHBondContact O-CB 3.37Å; E524-C527 PolarHBondContact O-N 2.9Å; E524-G528 PolarHBondContact O-N 3.13Å
525	R	87.9	Confident	82.2	Confident	112 Å²	112	56 Å²	56	42%	0.423	28%	0.284	S	S	.	.	H	α-helix	trans	-61.8	-47.4	175	-72.6	179.9	-178.3	-176.1	4.3	111.7	D493 T521 L522 I523 C527 G528 R529	D493-R525 IonicContact OD2-NH1 2.72Å; T521-R525 WeakPolarHBondContact O-CG 3.46Å; T521-R525 PolarHBondContact O-N 3.26Å; T521-R525 VanDerWaalsContact O-N 3.1Å; L522-R525 PolarHBondContact O-N 2.57Å; I523-R525 PolarHBondContact O-N 3.34Å; R525-C527 PolarHBondContact O-N 3.25Å; R525-G528 PolarHBondContact O-N 3.3Å; R525-G528 VanDerWaalsContact O-N 3.15Å; R525-R529 WeakPolarHBondContact O-CG 3.48Å; R525-R529 PolarHBondContact O-N 3.4Å
526	L	90.3	Very high	82.2	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-66.8	-35.3	179	-73.2	176.3	0	0	0	112.5	F397 L492 L500 L506 L508 L522 I523 G528 R529 F530	F397-L526 HydrophobicContact CE1-CB 4.09Å; F397-L526 HydrophobicContact CE2-CB 4.44Å; F397-L526 HydrophobicContact CE2-CD1 4.15Å; F397-L526 HydrophobicContact CZ-CB 3.81Å; F397-L526 HydrophobicContact CZ-CD1 4.23Å; L492-L526 HydrophobicContact CD1-CD1 4.22Å; L492-L526 HydrophobicContact CD2-CD1 4.19Å; L492-L526 HydrophobicContact CD2-CD2 4.29Å; L500-L526 HydrophobicContact CD1-CD2 4.33Å; L506-L526 HydrophobicContact CD2-CD1 4.1Å; L506-L526 HydrophobicContact CD2-CD2 4.43Å; L508-L526 HydrophobicContact CD1-CD1 3.53Å; L522-L526 HydrophobicContact CD1-CD1 4.09Å; L522-L526 HydrophobicContact CD1-CG 4.13Å; L522-L526 HydrophobicContact CG-CD1 4.06Å; L522-L526 HydrophobicContact CG-CG 4.48Å; L522-L526 WeakPolarHBondContact O-CB 3.21Å; L522-L526 WeakPolarHBondContact O-CG 3.01Å; L522-L526 PolarHBondContact O-N 2.91Å; I523-L526 PolarHBondContact O-N 3.5Å; L526-G528 PolarHBondContact O-N 2.81Å; L526-R529 PolarHBondContact O-N 3.19Å; L526-R529 VanDerWaalsContact O-N 3.11Å; L526-F530 WeakPolarHBondContact O-CB 2.99Å; L526-F530 PolarHBondContact O-N 3.46Å
527	C	89.1	Confident	82.1	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-54.6	-40.9	171.5	-81.8	0	0	0	0	111	L426 F430 I523 E524 R525 R531	L426-C527 HydrophobicContact CB-CB 4.21Å; F430-C527 HydrophobicContact CD2-CB 4.04Å; F430-C527 HydrophobicContact CE2-CB 3.62Å; F430-C527 WeakPolarHBondContact CE2-O 3.31Å; F430-C527 HydrophobicContact CZ-CB 4.26Å; I523-C527 WeakPolarHBondContact O-CB 3.4Å; I523-C527 PolarHBondContact O-N 3.1Å; I523-C527 PolarHBondContact O-SG 2.78Å; E524-C527 WeakPolarHBondContact O-CB 3.37Å; E524-C527 PolarHBondContact O-N 2.9Å; R525-C527 PolarHBondContact O-N 3.25Å; C527-R531 WeakPolarHBondContact O-CG 3.46Å
528	G	86.6	Confident	82	Confident	25 Å²	25	57 Å²	57	26%	0.258	28%	0.275	S	S	.	.	H	α-helix	trans	-65.4	-39.9	176.1	0	0	0	0	0	113.8	E524 R525 L526	E524-G528 PolarHBondContact O-N 3.13Å; R525-G528 PolarHBondContact O-N 3.3Å; R525-G528 VanDerWaalsContact O-N 3.15Å; L526-G528 PolarHBondContact O-N 2.81Å
529	R	90.4	Very high	81.8	Confident	40 Å²	40	56.2 Å²	56.2	15%	0.151	27%	0.269	C	S	.	.	H	α-helix	trans	-86.9	-22.3	-173	-60.1	173.3	63.2	-146	-11.3	114.1	L492 D493 I495 D497 L500 R525 L526 R531	L492-R529 PolarHBondContact O-NH1 3.11Å; D493-R529 IonicContact OD1-NH1 3.3Å; D493-R529 PolarHBondContact OD1-NH1 2.92Å; I495-R529 PolarHBondContact O-NH2 3.31Å; D497-R529 IonicContact OD1-CZ 3.28Å; D497-R529 VanDerWaalsContact OD1-CZ 3.28Å; D497-R529 IonicContact OD1-NE 2.83Å; D497-R529 PolarHBondContact OD1-NE 3.19Å; D497-R529 IonicContact OD1-NH2 2.76Å; D497-R529 PolarHBondContact OD1-NH2 3.14Å; L500-R529 HydrophobicContact CD1-CB 3.66Å; R525-R529 WeakPolarHBondContact O-CG 3.48Å; R525-R529 PolarHBondContact O-N 3.4Å; L526-R529 PolarHBondContact O-N 3.19Å; L526-R529 VanDerWaalsContact O-N 3.11Å; R529-R531 VanDerWaalsContact C-N 3.31Å
530	F	88.6	Confident	81.5	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-1	178.2	-165.2	-96.4	0	0	0	112.8	F397 R399 F430 I503 L506 L526	F397-F530 HydrophobicContact CB-CD1 4.1Å; F397-F530 HydrophobicContact CB-CD2 4.42Å; F397-F530 HydrophobicContact CB-CE1 3.85Å; F397-F530 HydrophobicContact CB-CE2 4.17Å; F397-F530 HydrophobicContact CB-CG 4.38Å; F397-F530 HydrophobicContact CB-CZ 3.89Å; F397-F530 HydrophobicContact CD1-CD1 4.5Å; R399-F530 HydrophobicContact CG-CD1 4.35Å; R399-F530 HydrophobicContact CG-CE1 3.38Å; R399-F530 HydrophobicContact CG-CZ 3.68Å; R399-F530 PolarHBondContact NE-O 2.91Å; R399-F530 PolarHBondContact NH2-O 2.96Å; F430-F530 HydrophobicContact CE1-CD1 4.04Å; F430-F530 HydrophobicContact CZ-CB 4.35Å; F430-F530 HydrophobicContact CZ-CD1 4.04Å; I503-F530 HydrophobicContact CD1-CD2 4.42Å; I503-F530 HydrophobicContact CD1-CE2 3.82Å; I503-F530 HydrophobicContact CG1-CD2 4.45Å; I503-F530 HydrophobicContact CG1-CE2 3.72Å; L506-F530 HydrophobicContact CB-CD2 4.41Å; L506-F530 HydrophobicContact CB-CE2 3.88Å; L526-F530 WeakPolarHBondContact O-CB 2.99Å; L526-F530 PolarHBondContact O-N 3.46Å
531	R	77.3	Confident	81.1	Confident	83 Å²	83	63.5 Å²	63.5	31%	0.313	30%	0.303	S	S	.	.	S	Bend	trans	-58.5	156	178.3	-82	-178	166.4	-166.2	-5.7	112.1	R399 P425 S429 H501 C527 R529	R399-R531 PolarHBondContact NH2-O 2.86Å; P425-R531 PolarHBondContact O-NH2 3.15Å; S429-R531 VanDerWaalsContact CB-NH2 3.3Å; S429-R531 PolarHBondContact OG-NE 3.05Å; S429-R531 PolarHBondContact OG-NH2 3Å; H501-R531 PolarHBondContact CD2-O 3.47Å; H501-R531 PolarHBondContact NE2-O 3.41Å; C527-R531 WeakPolarHBondContact O-CG 3.46Å; R529-R531 VanDerWaalsContact C-N 3.31Å
532	W	66.7	Low	80.8	Confident	173 Å²	173	63.6 Å²	63.6	66%	0.655	30%	0.297	S	S	*	.			trans	-69.2	127.5	158.6	-102.7	25.5	0	0	0	107.1
533	N	56.9	Low	80.2	Confident	126 Å²	126	68.7 Å²	68.7	67%	0.674	32%	0.321	S	S	*	.			trans	-79.1	111	150.1	-75.6	-17.6	0	0	0	104.3	H501	H501-N533 PolarHBondContact NE2-ND2 3.29Å
534	D	52.1	Low	79.4	Confident	206 Å²	206	74.9 Å²	74.9	100%	1.102	35%	0.35	S	S	*	.			trans	-57.4	0	165.6	-74.8	-33.7	0	0	0	110.9

Retrieved 534 of 534 residues in 265.1 ms (Link to these results)

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