A0A068EVR8_MOUSE Loading...

Env

AlphaFold DB , UniProt , Accession A0A068EVR8, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 669 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	31.8	Very low	26	Very low	225 Å²	225	151.5 Å²	151.5	100%	1.108	80%	0.801	S	S	*	*				0	83.4	0	-80	162.8	163.7	0	0	106.1
2	E	27.6	Very low	26.1	Very low	184 Å²	184	150.7 Å²	150.7	86%	0.86	80%	0.797	S	S	*	*				74.2	123.3	94.7	-76.7	178.5	139.3	0	0	110.1
3	S	25.5	Very low	26.2	Very low	103 Å²	103	154 Å²	154	72%	0.72	81%	0.806	S	S	*	*			cis	-157	129.8	17.5	-168.1	0	0	0	0	109.1
4	T	23.6	Very low	26.6	Very low	117 Å²	117	152.9 Å²	152.9	72%	0.718	81%	0.808	S	S	*	*				48.5	97.8	89.6	19.8	0	0	0	0	117.9
5	T	27.6	Very low	26.8	Very low	119 Å²	119	152 Å²	152	73%	0.73	80%	0.804	S	S	*	*				26	131.1	126.3	59	0	0	0	0	122.1
6	L	24.2	Very low	27.2	Very low	160 Å²	160	148.7 Å²	148.7	84%	0.838	79%	0.794	S	S	*	*				163.1	145.9	126.7	-118.3	67.9	0	0	0	107.5
7	S	24.5	Very low	27.3	Very low	98 Å²	98	152.8 Å²	152.8	69%	0.685	80%	0.796	S	S	*	*			cis	-176.3	149.5	-4.2	26.5	0	0	0	0	106.1
8	K	26.2	Very low	27.7	Very low	171 Å²	171	148.7 Å²	148.7	74%	0.743	80%	0.797	S	S	*	*			trans	-58.9	164.8	158.3	-82.7	177.3	173.9	171.9	0	110.4	F10	K8-F10 HydrophobicContact CD-CD2 4.47Å
9	P	24.8	Very low	28.1	Very low	128 Å²	128	146.8 Å²	146.8	83%	0.831	79%	0.793	S	S	*	*				-136.5	147.9	102.8	27.4	-10.5	0	0	0	115
10	F	24.7	Very low	28.3	Very low	162 Å²	162	147.1 Å²	147.1	71%	0.711	79%	0.793	S	S	*	*			trans	-66.1	141.5	159.3	-107	-104.4	0	0	0	110.3	K8	K8-F10 HydrophobicContact CD-CD2 4.47Å
11	K	25.4	Very low	28.6	Very low	199 Å²	199	147.9 Å²	147.9	87%	0.865	80%	0.796	S	S	*	*				-178.5	136.8	109.2	-122.8	171.9	178.1	173.7	0	112.8
12	N	27.3	Very low	28.6	Very low	142 Å²	142	143.9 Å²	143.9	76%	0.759	78%	0.784	S	S	*	*			trans	-50.9	136.5	160.8	-67.7	-31.1	0	0	0	112
13	Q	27.5	Very low	28.7	Very low	194 Å²	194	142.5 Å²	142.5	91%	0.907	78%	0.781	S	S	*	*			trans	-146.7	120	139.8	-107.8	-179.1	17	0	0	109.8
14	V	32.4	Very low	28.9	Very low	138 Å²	138	145.4 Å²	145.4	84%	0.836	79%	0.788	S	S	*	*			trans	-66.6	123	171.4	174	0	0	0	0	107.7
15	N	28.3	Very low	29.2	Very low	140 Å²	140	148 Å²	148	75%	0.749	80%	0.795	S	S	*	*			trans	-107.7	120.4	170	-160.2	10.9	0	0	0	109.5	W17	N15-W17 PolarHBondContact O-N 3.06Å
16	P	33.4	Very low	29.4	Very low	99 Å²	99	150.4 Å²	150.4	64%	0.643	80%	0.803	S	S	*	*			trans	-97.4	59.2	-163.6	38.4	-35.8	0	0	0	113.3
17	W	29.4	Very low	29.5	Very low	219 Å²	219	146.1 Å²	146.1	83%	0.83	80%	0.798	S	S	*	*			trans	-136.3	41.6	-178.4	-73.4	69.9	0	0	0	112.7	N15	N15-W17 PolarHBondContact O-N 3.06Å
18	G	35	Very low	29.9	Very low	78 Å²	78	144.9 Å²	144.9	80%	0.804	80%	0.801	S	S	*	*			trans	-89.5	-1.9	-176.8	0	0	0	0	0	119.8
19	P	35.1	Very low	29.9	Very low	113 Å²	113	143.4 Å²	143.4	73%	0.734	81%	0.806	S	S	*	*	S	Bend	trans	-125.2	52.1	-179.4	42.2	-29.3	0	0	0	114.6
20	L	31.9	Very low	29.8	Very low	152 Å²	152	144.1 Å²	144.1	80%	0.796	80%	0.803	S	S	*	*	S	Bend	trans	-140	16.7	175.5	-106.3	158.6	0	0	0	116.7
21	I	33.9	Very low	29.9	Very low	164 Å²	164	141.1 Å²	141.1	84%	0.841	80%	0.799	S	S	*	*	S	Bend	trans	-129	55.4	170.2	-50.1	178.1	0	0	0	110
22	V	32.4	Very low	29.8	Very low	141 Å²	141	138 Å²	138	86%	0.855	80%	0.796	S	S	*	*	S	Bend	trans	-127.1	12.3	168.6	-178.2	0	0	0	0	111.3
23	L	29.3	Very low	29.7	Very low	156 Å²	156	136.9 Å²	136.9	82%	0.817	80%	0.795	S	S	*	*	S	Bend	trans	-119.1	15.4	-178	-109.3	148.8	0	0	0	115.3
24	L	29.6	Very low	29.7	Very low	164 Å²	164	133.7 Å²	133.7	86%	0.859	78%	0.784	S	S	*	*	S	Bend	trans	-133.1	41.3	178.3	-89.2	163.2	0	0	0	114
25	I	29.9	Very low	29.3	Very low	170 Å²	170	131 Å²	131	87%	0.872	78%	0.783	S	S	*	*	S	Bend	trans	-132.7	53.7	156.4	-47.4	-178.3	0	0	0	108.7
26	L	31.5	Very low	29.4	Very low	170 Å²	170	128.3 Å²	128.3	89%	0.89	77%	0.769	S	S	*	*	S	Bend	trans	-124.7	29.6	165	-89.2	170.3	0	0	0	110.6
27	G	26.1	Very low	29.7	Very low	71 Å²	71	127 Å²	127	73%	0.732	76%	0.762	S	S	*	*	S	Bend	trans	-131.1	106.6	179.6	0	0	0	0	0	111.5
28	G	34.2	Very low	30.1	Very low	72 Å²	72	119.6 Å²	119.6	74%	0.742	74%	0.742	S	S	*	*			trans	73.3	71.9	145.9	0	0	0	0	0	117.5
29	V	25.3	Very low	30.8	Very low	140 Å²	140	118.8 Å²	118.8	85%	0.848	72%	0.717	S	S	*	*			trans	-123.3	89.8	133.2	-172.9	0	0	0	0	105.6	P31	V29-P31 VanDerWaalsContact O-CD 3.31Å; V29-P31 WeakPolarHBondContact O-CD 3.38Å; V29-P31 VanDerWaalsContact O-N 3.15Å
30	N	23.7	Very low	31.7	Very low	143 Å²	143	115.9 Å²	115.9	77%	0.765	69%	0.694	S	S	*	*			trans	-53.8	119.8	158.6	-77	-37.1	0	0	0	105.2	V32	N30-V32 PolarHBondContact O-N 3.32Å
31	P	26.3	Very low	33	Very low	98 Å²	98	109 Å²	109	64%	0.636	66%	0.658	S	S	*	*			trans	-55.6	125	158.2	26	-28.6	0	0	0	103.9	V29 T33	V29-P31 VanDerWaalsContact O-CD 3.31Å; V29-P31 WeakPolarHBondContact O-CD 3.38Å; V29-P31 VanDerWaalsContact O-N 3.15Å; P31-T33 PolarHBondContact O-N 3.29Å
32	V	23.7	Very low	34.5	Very low	134 Å²	134	103 Å²	103	81%	0.812	63%	0.626	S	S	*	*			trans	-55.2	95.6	165.4	173.7	0	0	0	0	104.6	N30 L34	N30-V32 PolarHBondContact O-N 3.32Å; V32-L34 PolarHBondContact O-N 3.09Å
33	T	25.6	Very low	36.3	Very low	118 Å²	118	98.4 Å²	98.4	72%	0.724	60%	0.597	S	S	*	*			trans	-69.3	87.9	166.3	49.5	0	0	0	0	103.4	P31 G35	P31-T33 PolarHBondContact O-N 3.29Å; T33-G35 PolarHBondContact O-N 2.94Å
34	L	25.8	Very low	38.7	Very low	128 Å²	128	91 Å²	91	67%	0.67	56%	0.558	S	S	*	*			trans	-50.1	117.2	152.4	-147.8	80.4	0	0	0	103.9	V32 N36	V32-L34 PolarHBondContact O-N 3.09Å; L34-N36 PolarHBondContact O-N 3.28Å
35	G	25.4	Very low	41.2	Very low	80 Å²	80	84 Å²	84	83%	0.825	52%	0.522	S	S	*	.			trans	-68.5	59.1	-172.8	0	0	0	0	0	111.8	T33	T33-G35 PolarHBondContact O-N 2.94Å
36	N	30.9	Very low	44.2	Very low	85 Å²	85	75.9 Å²	75.9	46%	0.455	48%	0.481	S	S	.	.			trans	-95.2	122.9	179.7	-72.3	21.4	0	0	0	107.5	L34 Q40	L34-N36 PolarHBondContact O-N 3.28Å; N36-Q40 PolarHBondContact ND2-OE1 2.92Å
37	S	38.4	Very low	47	Very low	70 Å²	70	68.7 Å²	68.7	49%	0.49	44%	0.442	S	S	.	.			trans	-46	137.3	173.9	176.8	0	0	0	0	110.7	H39 Q40	S37-H39 PolarHBondContact O-N 3.34Å; S37-H39 PolarHBondContact OG-CD2 3.14Å; S37-H39 PolarHBondContact OG-N 3.26Å; S37-Q40 PolarHBondContact O-N 2.97Å; S37-Q40 VanDerWaalsContact O-N 3.12Å
38	P	38.2	Very low	50.4	Low	65 Å²	65	65.3 Å²	65.3	42%	0.422	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-0.9	176	25.5	-33	0	0	0	113.8
39	H	49.3	Very low	53.4	Low	60 Å²	60	62 Å²	62	28%	0.278	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	12.2	179.8	-54.2	-74.2	0	0	0	113.5	S37 V41 S474	S37-H39 PolarHBondContact O-N 3.34Å; S37-H39 PolarHBondContact OG-CD2 3.14Å; S37-H39 PolarHBondContact OG-N 3.26Å; H39-V41 PolarHBondContact O-N 3.31Å; H39-S474 PolarHBondContact CE1-OG 3.15Å; H39-S474 PolarHBondContact ND1-N 3.12Å; H39-S474 PolarHBondContact ND1-OG 3.39Å
40	Q	54.6	Low	56.6	Low	53 Å²	53	55.4 Å²	55.4	25%	0.248	33%	0.333	C	S	.	.			trans	-67.5	127.6	174.2	-167.4	170.6	9.9	0	0	109.9	N36 S37 F42 P64	N36-Q40 PolarHBondContact ND2-OE1 2.92Å; S37-Q40 PolarHBondContact O-N 2.97Å; S37-Q40 VanDerWaalsContact O-N 3.12Å; Q40-F42 HydrophobicContact CB-CE2 3.92Å; Q40-F42 HydrophobicContact CB-CZ 4.19Å; Q40-F42 HydrophobicContact CG-CE2 3.93Å; Q40-F42 HydrophobicContact CG-CZ 3.85Å; Q40-F42 WeakPolarHBondContact O-CD2 3.22Å; Q40-F42 WeakPolarHBondContact O-CE2 3.45Å; Q40-P64 WeakPolarHBondContact O-CA 3.49Å; Q40-P64 WeakPolarHBondContact O-CB 3.46Å
41	V	59.3	Low	59.8	Low	8 Å²	8	50.2 Å²	50.2	5%	0.048	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	140	179.6	-179.7	0	0	0	0	107.7	H39 N62 P64 S262 L479	H39-V41 PolarHBondContact O-N 3.31Å; V41-N62 HydrophobicContact CG1-CB 3.98Å; V41-P64 HydrophobicContact CG2-CG 4.2Å; V41-S262 PolarHBondContact O-OG 2.79Å; V41-S262 VanDerWaalsContact O-OG 3.1Å; V41-L479 HydrophobicContact CB-CD1 4.46Å; V41-L479 HydrophobicContact CB-CD2 4.24Å; V41-L479 HydrophobicContact CG1-CD1 4.3Å; V41-L479 HydrophobicContact CG1-CD2 3.46Å; V41-L479 VanDerWaalsContact CG1-CD2 3.46Å; V41-L479 HydrophobicContact CG1-CG 4.5Å; V41-L479 HydrophobicContact CG2-CD1 3.31Å; V41-L479 HydrophobicContact CG2-CD2 3.83Å; V41-L479 HydrophobicContact CG2-CG 4.18Å
42	F	65.5	Low	62.9	Low	36 Å²	36	50.7 Å²	50.7	16%	0.158	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	151.6	173.1	-63.1	-91.3	0	0	0	108.4	Q40 L44 N62 H63 L65 I259	Q40-F42 HydrophobicContact CB-CE2 3.92Å; Q40-F42 HydrophobicContact CB-CZ 4.19Å; Q40-F42 HydrophobicContact CG-CE2 3.93Å; Q40-F42 HydrophobicContact CG-CZ 3.85Å; Q40-F42 WeakPolarHBondContact O-CD2 3.22Å; Q40-F42 WeakPolarHBondContact O-CE2 3.45Å; F42-L44 HydrophobicContact CB-CD2 3.65Å; F42-L44 HydrophobicContact CB-CG 4.27Å; F42-L44 PolarHBondContact O-N 2.94Å; F42-N62 CarbonylContact O-C 3.56Å; F42-N62 WeakPolarHBondContact O-CA 3.28Å; F42-H63 PolarHBondContact N-O 3.03Å; F42-H63 PolarHBondContact O-N 3.19Å; F42-L65 HydrophobicContact CB-CD2 4.08Å; F42-L65 HydrophobicContact CD1-CD2 4.45Å; F42-L65 HydrophobicContact CD2-CD1 4.33Å; F42-L65 HydrophobicContact CD2-CD2 3.49Å; F42-L65 VanDerWaalsContact CD2-CD2 3.49Å; F42-L65 HydrophobicContact CD2-CG 3.51Å; F42-L65 HydrophobicContact CE2-CD1 4.01Å; F42-L65 HydrophobicContact CE2-CD2 4.03Å; F42-L65 HydrophobicContact CE2-CG 3.6Å; F42-L65 HydrophobicContact CG-CD2 3.73Å; F42-L65 HydrophobicContact CG-CG 4.24Å; F42-L65 HydrophobicContact CZ-CD1 4.36Å; F42-L65 HydrophobicContact CZ-CG 4.38Å; F42-I259 HydrophobicContact CB-CG2 3.86Å; F42-I259 HydrophobicContact CD1-CG2 3.6Å; F42-I259 HydrophobicContact CE1-CG2 4.38Å; F42-I259 HydrophobicContact CG-CG2 3.83Å
43	N	70.2	Confident	66.3	Low	45 Å²	45	51.4 Å²	51.4	24%	0.241	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	104.5	163.5	-173.7	3.8	0	0	0	107.2	T60 T260	N43-T60 WeakPolarHBondContact OD1-CG2 3.32Å; N43-T260 WeakPolarHBondContact CB-OG1 3.45Å; N43-T260 PolarHBondContact N-O 2.94Å; N43-T260 PolarHBondContact O-N 3.34Å; N43-T260 PolarHBondContact O-OG1 3.22Å; N43-T260 VanDerWaalsContact O-OG1 3.08Å
44	L	79.5	Confident	69.4	Low	1 Å²	1	49.5 Å²	49.5	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	129.5	-177.1	-62.8	-168.6	0	0	0	108.9	F42 T60 G61 H63 L65 W68 L257 I259	F42-L44 HydrophobicContact CB-CD2 3.65Å; F42-L44 HydrophobicContact CB-CG 4.27Å; F42-L44 PolarHBondContact O-N 2.94Å; L44-T60 CarbonylContact O-C 3.59Å; L44-T60 VanDerWaalsContact O-CA 3.25Å; L44-T60 WeakPolarHBondContact O-CA 3.44Å; L44-G61 WeakPolarHBondContact CB-O 3.49Å; L44-G61 PolarHBondContact N-O 3.47Å; L44-G61 PolarHBondContact O-N 3.14Å; L44-H63 HydrophobicContact CD1-CB 4.01Å; L44-L65 HydrophobicContact CD2-CD2 3.77Å; L44-W68 HydrophobicContact CB-CE3 3.66Å; L44-W68 HydrophobicContact CB-CZ3 3.85Å; L44-W68 HydrophobicContact CD1-CB 4.38Å; L44-W68 HydrophobicContact CD1-CE3 4.37Å; L44-W68 WeakPolarHBondContact O-CZ3 3.4Å; L44-L257 HydrophobicContact CB-CD1 4.07Å; L44-L257 HydrophobicContact CD2-CD1 4.35Å; L44-I259 HydrophobicContact CD2-CB 4.28Å; L44-I259 HydrophobicContact CD2-CG1 3.9Å; L44-I259 HydrophobicContact CD2-CG2 4.07Å
45	T	82.3	Confident	72.5	Confident	16 Å²	16	44.6 Å²	44.6	10%	0.098	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	114.8	172.1	-55.7	0	0	0	0	109.4	E47 A58 I59 T60 K258	T45-E47 HydrophobicContact CG2-CG 3.79Å; T45-A58 HydrophobicContact CG2-CB 3.88Å; T45-I59 CarbonylContact C-O 3.45Å; T45-I59 VanDerWaalsContact CA-O 3.31Å; T45-I59 WeakPolarHBondContact CA-O 3.44Å; T45-T60 VanDerWaalsContact CG2-OG1 3.3Å; T45-T60 WeakPolarHBondContact CG2-OG1 3.5Å; T45-T60 WeakPolarHBondContact OG1-CG2 3.34Å; T45-T60 PolarHBondContact OG1-OG1 2.97Å; T45-K258 PolarHBondContact N-O 2.98Å; T45-K258 PolarHBondContact O-N 2.99Å
46	W	91.6	Very high	75.4	Confident	1 Å²	1	40.9 Å²	40.9	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	115.6	166.9	-79.9	109.3	0	0	0	108.7	A58 I59 W68 W69 P70 L72 F222 W232 I255 L257	W46-A58 CarbonylContact O-C 3.6Å; W46-A58 WeakPolarHBondContact O-CA 3.24Å; W46-I59 HydrophobicContact CB-CG2 3.76Å; W46-I59 PolarHBondContact N-O 3.43Å; W46-I59 PolarHBondContact O-N 2.88Å; W46-W68 AromaticContact CD1-CE3 3.5Å; W46-W68 VanDerWaalsContact CD1-CE3 3.5Å; W46-W68 AromaticContact CD1-CZ3 3.46Å; W46-W68 VanDerWaalsContact CD1-CZ3 3.46Å; W46-W68 HydrophobicContact CG-CZ3 4.39Å; W46-W68 AromaticContact NE1-CE3 3.82Å; W46-W68 PolarHBondContact NE1-O 3.08Å; W46-W69 AromaticContact CH2-CE3 3.99Å; W46-W69 HydrophobicContact CH2-CE3 3.99Å; W46-W69 HydrophobicContact CH2-CH2 4.33Å; W46-W69 AromaticContact CH2-CZ3 3.46Å; W46-W69 HydrophobicContact CH2-CZ3 3.46Å; W46-W69 VanDerWaalsContact CH2-CZ3 3.46Å; W46-W69 HydrophobicContact CZ2-CD2 4.42Å; W46-W69 AromaticContact CZ2-CE3 3.44Å; W46-W69 HydrophobicContact CZ2-CE3 3.44Å; W46-W69 VanDerWaalsContact CZ2-CE3 3.44Å; W46-W69 HydrophobicContact CZ2-CH2 4.15Å; W46-W69 AromaticContact CZ2-CZ3 3.3Å; W46-W69 HydrophobicContact CZ2-CZ3 3.3Å; W46-P70 HydrophobicContact CG-CG 4.48Å; W46-L72 HydrophobicContact CB-CD2 3.83Å; W46-L72 HydrophobicContact CG-CD2 4.18Å; W46-F222 HydrophobicContact CD2-CE1 4.48Å; W46-F222 HydrophobicContact CD2-CE2 4.32Å; W46-F222 AromaticContact CD2-CZ 3.63Å; W46-F222 HydrophobicContact CD2-CZ 3.63Å; W46-F222 AromaticContact CE2-CZ 3.64Å; W46-F222 HydrophobicContact CE3-CE1 4.15Å; W46-F222 AromaticContact CE3-CZ 3.61Å; W46-F222 HydrophobicContact CE3-CZ 3.61Å; W46-F222 HydrophobicContact CG-CZ 4.4Å; W46-F222 AromaticContact CH2-CE1 3.52Å; W46-F222 HydrophobicContact CH2-CE1 3.52Å; W46-F222 AromaticContact CH2-CZ 3.64Å; W46-F222 HydrophobicContact CH2-CZ 3.64Å; W46-F222 AromaticContact CZ2-CE1 3.91Å; W46-F222 HydrophobicContact CZ2-CE1 3.91Å; W46-F222 HydrophobicContact CZ2-CE2 4.37Å; W46-F222 AromaticContact CZ2-CZ 3.67Å; W46-F222 HydrophobicContact CZ2-CZ 3.67Å; W46-F222 AromaticContact CZ3-CE1 3.65Å; W46-F222 HydrophobicContact CZ3-CE1 3.65Å; W46-F222 AromaticContact CZ3-CZ 3.6Å; W46-F222 HydrophobicContact CZ3-CZ 3.6Å; W46-W232 HydrophobicContact CH2-CB 3.68Å; W46-W232 AromaticContact CH2-CD1 3.97Å; W46-W232 AromaticContact CH2-CD2 3.52Å; W46-W232 HydrophobicContact CH2-CD2 3.52Å; W46-W232 AromaticContact CH2-CE3 3.87Å; W46-W232 HydrophobicContact CH2-CE3 3.87Å; W46-W232 AromaticContact CH2-CG 3.45Å; W46-W232 HydrophobicContact CH2-CG 3.45Å; W46-W232 VanDerWaalsContact CH2-CG 3.45Å; W46-W232 HydrophobicContact CZ3-CB 3.92Å; W46-W232 AromaticContact CZ3-CD2 3.7Å; W46-W232 HydrophobicContact CZ3-CD2 3.7Å; W46-W232 AromaticContact CZ3-CE3 3.53Å; W46-W232 HydrophobicContact CZ3-CE3 3.53Å; W46-W232 AromaticContact CZ3-CG 3.92Å; W46-W232 HydrophobicContact CZ3-CG 3.92Å; W46-W232 HydrophobicContact CZ3-CZ3 4.22Å; W46-I255 HydrophobicContact CE3-CG2 3.74Å; W46-I255 HydrophobicContact CZ3-CG2 3.85Å; W46-L257 HydrophobicContact CD2-CB 4.47Å; W46-L257 HydrophobicContact CD2-CD1 3.98Å; W46-L257 HydrophobicContact CE3-CB 4.11Å; W46-L257 HydrophobicContact CE3-CD1 4.44Å; W46-L257 HydrophobicContact CG-CD1 4.3Å; W46-L257 HydrophobicContact CH2-CB 3.95Å; W46-L257 HydrophobicContact CZ2-CB 4.31Å; W46-L257 HydrophobicContact CZ2-CD1 4.14Å; W46-L257 HydrophobicContact CZ2-CD2 4.32Å; W46-L257 HydrophobicContact CZ2-CG 4.49Å; W46-L257 HydrophobicContact CZ3-CB 3.85Å
47	E	91.9	Very high	78.2	Confident	19 Å²	19	38.7 Å²	38.7	9%	0.089	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	132.3	179.8	-63.5	-175.5	170.8	0	0	109.7	T45 T55 A58 I255 R256 K258	T45-E47 HydrophobicContact CG2-CG 3.79Å; E47-T55 HydrophobicContact CB-CG2 3.8Å; E47-T55 HydrophobicContact CG-CG2 3.89Å; E47-T55 PolarHBondContact OE2-OG1 2.98Å; E47-A58 HydrophobicContact CG-CB 4.22Å; E47-I255 WeakPolarHBondContact O-CA 3.41Å; E47-R256 HydrophobicContact CB-CG 3.95Å; E47-R256 PolarHBondContact N-O 3.34Å; E47-R256 PolarHBondContact O-N 2.91Å; E47-R256 IonicContact OE2-CZ 3.84Å; E47-R256 IonicContact OE2-NE 3.13Å; E47-R256 PolarHBondContact OE2-NE 2.89Å; E47-R256 IonicContact OE2-NH2 3.87Å; E47-R256 PolarHBondContact OE2-NH2 3.15Å; E47-K258 WeakPolarHBondContact OE1-CD 3.36Å
48	V	96.9	Very high	80.3	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	130.5	167.1	-179.2	0	0	0	0	108.1	V56 W57 L72 P74 L79 F253 G254 I255	V48-V56 WeakPolarHBondContact O-CG2 3.27Å; V48-V56 PolarHBondContact O-N 3.49Å; V48-W57 HydrophobicContact CB-CB 4.34Å; V48-W57 HydrophobicContact CB-CE3 4.18Å; V48-W57 HydrophobicContact CG2-CE3 3.63Å; V48-W57 HydrophobicContact CG2-CZ3 4.11Å; V48-W57 PolarHBondContact N-O 2.93Å; V48-W57 PolarHBondContact O-N 3.23Å; V48-L72 HydrophobicContact CG2-CB 4.32Å; V48-L72 HydrophobicContact CG2-CD1 3.9Å; V48-P74 HydrophobicContact CB-CB 4.42Å; V48-P74 HydrophobicContact CG1-CB 4.16Å; V48-P74 HydrophobicContact CG1-CG 4.09Å; V48-P74 HydrophobicContact CG2-CG 4.22Å; V48-L79 HydrophobicContact CG1-CD2 3.48Å; V48-L79 VanDerWaalsContact CG1-CD2 3.48Å; V48-F253 HydrophobicContact CG1-CD2 4.42Å; V48-G254 CarbonylContact C-O 3.6Å; V48-G254 VanDerWaalsContact CA-O 3.29Å; V48-G254 WeakPolarHBondContact CA-O 3.25Å; V48-I255 HydrophobicContact CG2-CG1 4.45Å
49	T	96.3	Very high	81.9	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	153.1	-175.4	73.8	0	0	0	0	112.5	E54 F253 G254	T49-E54 CarbonylContact C-O 3.58Å; T49-E54 WeakPolarHBondContact CA-O 3.31Å; T49-E54 WeakPolarHBondContact CB-O 3.24Å; T49-F253 CarbonylContact O-C 3.53Å; T49-F253 WeakPolarHBondContact O-CA 3.33Å; T49-F253 VanDerWaalsContact O-CB 3.31Å; T49-F253 WeakPolarHBondContact O-CB 3.34Å; T49-G254 PolarHBondContact N-O 3.36Å; T49-G254 PolarHBondContact O-N 2.64Å; T49-G254 VanDerWaalsContact OG1-CA 3.28Å; T49-G254 WeakPolarHBondContact OG1-CA 3.18Å; T49-G254 PolarHBondContact OG1-N 3.45Å
50	N	93.2	Very high	83.1	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	19%	0.186	C	C	.	.			trans	-71.8	-174.4	164.6	64.8	4.6	0	0	0	111.5	D52 R53 E54 V56 L81 I252	N50-D52 PolarHBondContact O-N 3.26Å; N50-D52 PolarHBondContact OD1-N 2.95Å; N50-R53 PolarHBondContact O-N 3.22Å; N50-R53 VanDerWaalsContact O-N 3.09Å; N50-R53 PolarHBondContact OD1-N 3.47Å; N50-E54 PolarHBondContact N-O 3.22Å; N50-E54 WeakPolarHBondContact OD1-CB 3.48Å; N50-E54 PolarHBondContact OD1-N 2.63Å; N50-E54 PolarHBondContact OD1-O 3.17Å; N50-V56 HydrophobicContact CB-CG1 3.82Å; N50-L81 PolarHBondContact ND2-O 2.99Å; N50-I252 CarbonylContact C-O 3.31Å
51	G	91.1	Very high	83.1	Confident	35 Å²	35	33.5 Å²	33.5	36%	0.361	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-30.9	178.8	0	0	0	0	0	114	R53 I252	G51-R53 PolarHBondContact O-N 2.96Å; G51-I252 WeakPolarHBondContact CA-O 3.49Å; G51-I252 PolarHBondContact N-O 3.08Å
52	D	92.1	Very high	83.3	Confident	107 Å²	107	36 Å²	36	57%	0.572	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	3.7	177.9	-68.8	-18.9	0	0	0	113.4	N50 E54	N50-D52 PolarHBondContact O-N 3.26Å; N50-D52 PolarHBondContact OD1-N 2.95Å; D52-E54 HydrophobicContact CB-CG 4.29Å; D52-E54 PolarHBondContact O-N 2.86Å
53	R	94	Very high	83	Confident	149 Å²	149	34.9 Å²	34.9	56%	0.562	19%	0.187	S	C	*	.	S	Bend	trans	68	20.1	179.6	-43.5	178.5	177.8	-159.8	-1	113.7	N50 G51 W237 R256	N50-R53 PolarHBondContact O-N 3.22Å; N50-R53 VanDerWaalsContact O-N 3.09Å; N50-R53 PolarHBondContact OD1-N 3.47Å; G51-R53 PolarHBondContact O-N 2.96Å; R53-W237 HydrophobicContact CG-CZ2 4.21Å; R53-R256 PolarHBondContact O-NH1 2.83Å
54	E	90.3	Very high	82.8	Confident	79 Å²	79	32.8 Å²	32.8	37%	0.369	18%	0.176	S	C	.	.			trans	-83.5	136.4	170.1	-55.2	-173.7	129.7	0	0	109.8	T49 N50 D52 V56 H82 P94	T49-E54 CarbonylContact C-O 3.58Å; T49-E54 WeakPolarHBondContact CA-O 3.31Å; T49-E54 WeakPolarHBondContact CB-O 3.24Å; N50-E54 PolarHBondContact N-O 3.22Å; N50-E54 WeakPolarHBondContact OD1-CB 3.48Å; N50-E54 PolarHBondContact OD1-N 2.63Å; N50-E54 PolarHBondContact OD1-O 3.17Å; D52-E54 HydrophobicContact CB-CG 4.29Å; D52-E54 PolarHBondContact O-N 2.86Å; E54-V56 PolarHBondContact O-N 2.95Å; E54-H82 IonicContact OE2-ND1 3.6Å; E54-H82 PolarHBondContact OE2-ND1 3.05Å; E54-P94 HydrophobicContact CB-CG 3.79Å; E54-P94 WeakPolarHBondContact OE2-CG 3.46Å
55	T	92.2	Very high	82.5	Confident	25 Å²	25	35.3 Å²	35.3	15%	0.153	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	121.7	178.9	-54.6	0	0	0	0	109.9	E47 W57 A58 P94 F95 R256	E47-T55 HydrophobicContact CB-CG2 3.8Å; E47-T55 HydrophobicContact CG-CG2 3.89Å; E47-T55 PolarHBondContact OE2-OG1 2.98Å; T55-W57 WeakPolarHBondContact CG2-O 3.31Å; T55-A58 HydrophobicContact CG2-CB 4.15Å; T55-P94 WeakPolarHBondContact O-CB 3.36Å; T55-F95 HydrophobicContact CG2-CZ 4.21Å; T55-F95 WeakPolarHBondContact O-CE2 3.48Å; T55-F95 WeakPolarHBondContact O-CZ 3.4Å; T55-R256 PolarHBondContact OG1-NH2 3.11Å
56	V	84.7	Confident	82.2	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	-18.2	179.1	-64.8	0	0	0	0	112.8	V48 N50 E54 M78 L79 L81 P94 F95	V48-V56 WeakPolarHBondContact O-CG2 3.27Å; V48-V56 PolarHBondContact O-N 3.49Å; N50-V56 HydrophobicContact CB-CG1 3.82Å; E54-V56 PolarHBondContact O-N 2.95Å; V56-M78 HydrophobicContact CB-CB 4.3Å; V56-M78 WeakPolarHBondContact CG1-O 3.29Å; V56-M78 HydrophobicContact CG2-CB 4.31Å; V56-L79 HydrophobicContact CG2-CD2 4.06Å; V56-L81 HydrophobicContact CG1-CB 4.44Å; V56-L81 HydrophobicContact CG1-CD1 4.44Å; V56-P94 HydrophobicContact CG1-CB 4.06Å; V56-P94 HydrophobicContact CG1-CG 4.22Å; V56-F95 WeakPolarHBondContact O-CE1 3.23Å
57	W	91.7	Very high	81.3	Confident	40 Å²	40	40.3 Å²	40.3	15%	0.152	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	145.7	175.6	180	97.6	0	0	0	108.9	V48 T55 I59 L72 P74	V48-W57 HydrophobicContact CB-CB 4.34Å; V48-W57 HydrophobicContact CB-CE3 4.18Å; V48-W57 HydrophobicContact CG2-CE3 3.63Å; V48-W57 HydrophobicContact CG2-CZ3 4.11Å; V48-W57 PolarHBondContact N-O 2.93Å; V48-W57 PolarHBondContact O-N 3.23Å; T55-W57 WeakPolarHBondContact CG2-O 3.31Å; W57-I59 HydrophobicContact CH2-CB 3.56Å; W57-I59 HydrophobicContact CH2-CG2 3.51Å; W57-I59 HydrophobicContact CZ2-CB 4.21Å; W57-I59 HydrophobicContact CZ3-CB 4.01Å; W57-I59 HydrophobicContact CZ3-CG2 3.71Å; W57-L72 HydrophobicContact CH2-CB 3.87Å; W57-L72 HydrophobicContact CH2-CD2 4.1Å; W57-L72 HydrophobicContact CZ3-CB 3.7Å; W57-L72 HydrophobicContact CZ3-CD2 3.89Å; W57-L72 HydrophobicContact CZ3-CG 4.28Å; W57-P74 HydrophobicContact CB-CB 3.93Å; W57-P74 HydrophobicContact CD2-CB 4.31Å; W57-P74 HydrophobicContact CG-CB 3.96Å
58	A	81.8	Confident	80.6	Confident	36 Å²	36	41 Å²	41	30%	0.298	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	153.6	176.1	0	0	0	0	0	111.8	T45 W46 E47 T55	T45-A58 HydrophobicContact CG2-CB 3.88Å; W46-A58 CarbonylContact O-C 3.6Å; W46-A58 WeakPolarHBondContact O-CA 3.24Å; E47-A58 HydrophobicContact CG-CB 4.22Å; T55-A58 HydrophobicContact CG2-CB 4.15Å
59	I	70.8	Confident	79.9	Confident	48 Å²	48	42.7 Å²	42.7	25%	0.246	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	136.9	167.8	-171.8	172.9	0	0	0	108.7	T45 W46 W57 W68 P70 L72	T45-I59 CarbonylContact C-O 3.45Å; T45-I59 VanDerWaalsContact CA-O 3.31Å; T45-I59 WeakPolarHBondContact CA-O 3.44Å; W46-I59 HydrophobicContact CB-CG2 3.76Å; W46-I59 PolarHBondContact N-O 3.43Å; W46-I59 PolarHBondContact O-N 2.88Å; W57-I59 HydrophobicContact CH2-CB 3.56Å; W57-I59 HydrophobicContact CH2-CG2 3.51Å; W57-I59 HydrophobicContact CZ2-CB 4.21Å; W57-I59 HydrophobicContact CZ3-CB 4.01Å; W57-I59 HydrophobicContact CZ3-CG2 3.71Å; I59-W68 HydrophobicContact CB-CH2 4.34Å; I59-W68 HydrophobicContact CD1-CZ2 4.11Å; I59-W68 HydrophobicContact CG1-CH2 3.98Å; I59-W68 HydrophobicContact CG1-CZ2 3.95Å; I59-W68 HydrophobicContact CG2-CH2 3.89Å; I59-W68 HydrophobicContact CG2-CZ2 4.29Å; I59-W68 WeakPolarHBondContact O-CH2 3.35Å; I59-P70 HydrophobicContact CD1-CB 4.27Å; I59-P70 HydrophobicContact CG2-CG 3.93Å; I59-L72 HydrophobicContact CG2-CD2 3.93Å
60	T	75.2	Confident	79.2	Confident	46 Å²	46	43.5 Å²	43.5	28%	0.282	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	139.4	-176.5	-61.3	0	0	0	0	110.3	N43 L44 T45 W68	N43-T60 WeakPolarHBondContact OD1-CG2 3.32Å; L44-T60 CarbonylContact O-C 3.59Å; L44-T60 VanDerWaalsContact O-CA 3.25Å; L44-T60 WeakPolarHBondContact O-CA 3.44Å; T45-T60 VanDerWaalsContact CG2-OG1 3.3Å; T45-T60 WeakPolarHBondContact CG2-OG1 3.5Å; T45-T60 WeakPolarHBondContact OG1-CG2 3.34Å; T45-T60 PolarHBondContact OG1-OG1 2.97Å; T60-W68 VanDerWaalsContact C-CH2 3.4Å
61	G	55.1	Low	79	Confident	9 Å²	9	46.4 Å²	46.4	9%	0.093	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	146.9	-179.8	0	0	0	0	0	112.4	L44 H63 W68	L44-G61 WeakPolarHBondContact CB-O 3.49Å; L44-G61 PolarHBondContact N-O 3.47Å; L44-G61 PolarHBondContact O-N 3.14Å; G61-H63 VanDerWaalsContact C-CD2 3.43Å; G61-H63 PolarHBondContact O-N 2.96Å; G61-W68 VanDerWaalsContact N-CH2 3.27Å
62	N	63.1	Low	79	Confident	59 Å²	59	44.8 Å²	44.8	32%	0.316	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	102.2	179.9	-70.3	-24.3	0	0	0	110.3	V41 F42 L479	V41-N62 HydrophobicContact CG1-CB 3.98Å; F42-N62 CarbonylContact O-C 3.56Å; F42-N62 WeakPolarHBondContact O-CA 3.28Å; N62-L479 HydrophobicContact CB-CD2 3.96Å
63	H	59	Low	79	Confident	14 Å²	14	42 Å²	42	7%	0.065	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	151.9	-176.9	-59.1	-73	0	0	0	111.4	F42 L44 G61 W68	F42-H63 PolarHBondContact N-O 3.03Å; F42-H63 PolarHBondContact O-N 3.19Å; L44-H63 HydrophobicContact CD1-CB 4.01Å; G61-H63 VanDerWaalsContact C-CD2 3.43Å; G61-H63 PolarHBondContact O-N 2.96Å; H63-W68 HydrophobicContact CB-CB 3.53Å; H63-W68 HydrophobicContact CB-CG 4.19Å; H63-W68 VanDerWaalsContact CD2-CB 3.46Å; H63-W68 WeakPolarHBondContact CD2-CB 3.22Å; H63-W68 AromaticContact CD2-CD1 3.4Å; H63-W68 VanDerWaalsContact CD2-CD1 3.4Å; H63-W68 AromaticContact CD2-CD2 3.23Å; H63-W68 AromaticContact CD2-CE2 3.62Å; H63-W68 AromaticContact CD2-CE3 3.81Å; H63-W68 AromaticContact CD2-CG 3.08Å; H63-W68 AromaticContact CD2-NE1 3.7Å; H63-W68 AromaticContact CE1-CD1 3.82Å; H63-W68 VanDerWaalsContact CG-CB 3.41Å; H63-W68 AromaticContact CG-CD1 3.95Å; H63-W68 AromaticContact CG-CG 3.57Å; H63-W68 AromaticContact NE2-CD1 3.28Å; H63-W68 VanDerWaalsContact NE2-CD1 3.28Å; H63-W68 AromaticContact NE2-CD2 3.72Å; H63-W68 AromaticContact NE2-CE2 3.6Å; H63-W68 AromaticContact NE2-CG 3.52Å; H63-W68 AromaticContact NE2-NE1 3.33Å; H63-W68 PolarHBondContact NE2-NE1 3.21Å
64	P	65.6	Low	79.1	Confident	1 Å²	1	35 Å²	35	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	155.7	166.4	-28	42.5	0	0	0	111.8	Q40 V41 W66 T67 V473 L475	Q40-P64 WeakPolarHBondContact O-CA 3.49Å; Q40-P64 WeakPolarHBondContact O-CB 3.46Å; V41-P64 HydrophobicContact CG2-CG 4.2Å; P64-W66 PolarHBondContact O-N 3.32Å; P64-T67 HydrophobicContact CB-CG2 4.13Å; P64-T67 PolarHBondContact O-N 3.47Å; P64-T67 PolarHBondContact O-OG1 3.46Å; P64-V473 HydrophobicContact CB-CB 4.25Å; P64-V473 HydrophobicContact CB-CG1 3.17Å; P64-V473 HydrophobicContact CB-CG2 4.31Å; P64-V473 HydrophobicContact CG-CG1 3.26Å; P64-L475 HydrophobicContact CG-CD2 3.98Å
65	L	73	Confident	79.3	Confident	53 Å²	53	31.5 Å²	31.5	28%	0.277	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	136.6	-177.4	-59.9	-174.9	0	0	0	110.8	F42 L44 T67 I259	F42-L65 HydrophobicContact CB-CD2 4.08Å; F42-L65 HydrophobicContact CD1-CD2 4.45Å; F42-L65 HydrophobicContact CD2-CD1 4.33Å; F42-L65 HydrophobicContact CD2-CD2 3.49Å; F42-L65 VanDerWaalsContact CD2-CD2 3.49Å; F42-L65 HydrophobicContact CD2-CG 3.51Å; F42-L65 HydrophobicContact CE2-CD1 4.01Å; F42-L65 HydrophobicContact CE2-CD2 4.03Å; F42-L65 HydrophobicContact CE2-CG 3.6Å; F42-L65 HydrophobicContact CG-CD2 3.73Å; F42-L65 HydrophobicContact CG-CG 4.24Å; F42-L65 HydrophobicContact CZ-CD1 4.36Å; F42-L65 HydrophobicContact CZ-CG 4.38Å; L44-L65 HydrophobicContact CD2-CD2 3.77Å; L65-T67 PolarHBondContact O-N 2.63Å; L65-I259 HydrophobicContact CD1-CD1 4.5Å; L65-I259 HydrophobicContact CD2-CB 4.49Å; L65-I259 HydrophobicContact CD2-CD1 3.68Å; L65-I259 HydrophobicContact CD2-CG1 3.98Å; L65-I259 HydrophobicContact CD2-CG2 3.68Å
66	W	77.8	Confident	79.6	Confident	77 Å²	77	30.3 Å²	30.3	29%	0.292	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	14.5	172.9	-40.9	113.1	0	0	0	115.9	P64 W69 T230 W232 V233 L257	P64-W66 PolarHBondContact O-N 3.32Å; W66-W69 HydrophobicContact CB-CZ2 4.17Å; W66-W69 AromaticContact CE3-CH2 3.75Å; W66-W69 HydrophobicContact CE3-CH2 3.75Å; W66-W69 AromaticContact CE3-CZ2 3.88Å; W66-W69 HydrophobicContact CE3-CZ2 3.88Å; W66-W69 HydrophobicContact CZ3-CH2 4.21Å; W66-W69 PolarHBondContact O-NE1 3.36Å; W66-T230 WeakPolarHBondContact CH2-O 3.25Å; W66-T230 HydrophobicContact CZ2-CG2 4.29Å; W66-W232 HydrophobicContact CH2-CB 4.4Å; W66-W232 HydrophobicContact CZ3-CB 4.03Å; W66-W232 AromaticContact CZ3-CD1 3.74Å; W66-W232 HydrophobicContact CZ3-CG 4.27Å; W66-V233 HydrophobicContact CH2-CG2 4.47Å; W66-L257 HydrophobicContact CE3-CD2 4.3Å; W66-L257 HydrophobicContact CH2-CD2 4.12Å; W66-L257 HydrophobicContact CZ3-CD2 3.74Å
67	T	70.7	Confident	80.2	Confident	45 Å²	45	30.3 Å²	30.3	28%	0.276	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-19.1	175.9	65.8	0	0	0	0	113.3	P64 L65 V473	P64-T67 HydrophobicContact CB-CG2 4.13Å; P64-T67 PolarHBondContact O-N 3.47Å; P64-T67 PolarHBondContact O-OG1 3.46Å; L65-T67 PolarHBondContact O-N 2.63Å; T67-V473 HydrophobicContact CG2-CB 3.49Å; T67-V473 VanDerWaalsContact CG2-CB 3.49Å; T67-V473 HydrophobicContact CG2-CG1 3.87Å; T67-V473 HydrophobicContact CG2-CG2 3.57Å
68	W	77.6	Confident	80.3	Confident	33 Å²	33	30.2 Å²	30.2	13%	0.125	16%	0.162	C	C	.	.			trans	-110.2	112.8	-173.8	-177	59	0	0	0	112	L44 W46 I59 T60 G61 H63 P70	L44-W68 HydrophobicContact CB-CE3 3.66Å; L44-W68 HydrophobicContact CB-CZ3 3.85Å; L44-W68 HydrophobicContact CD1-CB 4.38Å; L44-W68 HydrophobicContact CD1-CE3 4.37Å; L44-W68 WeakPolarHBondContact O-CZ3 3.4Å; W46-W68 AromaticContact CD1-CE3 3.5Å; W46-W68 VanDerWaalsContact CD1-CE3 3.5Å; W46-W68 AromaticContact CD1-CZ3 3.46Å; W46-W68 VanDerWaalsContact CD1-CZ3 3.46Å; W46-W68 HydrophobicContact CG-CZ3 4.39Å; W46-W68 AromaticContact NE1-CE3 3.82Å; W46-W68 PolarHBondContact NE1-O 3.08Å; I59-W68 HydrophobicContact CB-CH2 4.34Å; I59-W68 HydrophobicContact CD1-CZ2 4.11Å; I59-W68 HydrophobicContact CG1-CH2 3.98Å; I59-W68 HydrophobicContact CG1-CZ2 3.95Å; I59-W68 HydrophobicContact CG2-CH2 3.89Å; I59-W68 HydrophobicContact CG2-CZ2 4.29Å; I59-W68 WeakPolarHBondContact O-CH2 3.35Å; T60-W68 VanDerWaalsContact C-CH2 3.4Å; G61-W68 VanDerWaalsContact N-CH2 3.27Å; H63-W68 HydrophobicContact CB-CB 3.53Å; H63-W68 HydrophobicContact CB-CG 4.19Å; H63-W68 VanDerWaalsContact CD2-CB 3.46Å; H63-W68 WeakPolarHBondContact CD2-CB 3.22Å; H63-W68 AromaticContact CD2-CD1 3.4Å; H63-W68 VanDerWaalsContact CD2-CD1 3.4Å; H63-W68 AromaticContact CD2-CD2 3.23Å; H63-W68 AromaticContact CD2-CE2 3.62Å; H63-W68 AromaticContact CD2-CE3 3.81Å; H63-W68 AromaticContact CD2-CG 3.08Å; H63-W68 AromaticContact CD2-NE1 3.7Å; H63-W68 AromaticContact CE1-CD1 3.82Å; H63-W68 VanDerWaalsContact CG-CB 3.41Å; H63-W68 AromaticContact CG-CD1 3.95Å; H63-W68 AromaticContact CG-CG 3.57Å; H63-W68 AromaticContact NE2-CD1 3.28Å; H63-W68 VanDerWaalsContact NE2-CD1 3.28Å; H63-W68 AromaticContact NE2-CD2 3.72Å; H63-W68 AromaticContact NE2-CE2 3.6Å; H63-W68 AromaticContact NE2-CG 3.52Å; H63-W68 AromaticContact NE2-NE1 3.33Å; H63-W68 PolarHBondContact NE2-NE1 3.21Å; W68-P70 HydrophobicContact CD2-CG 4.06Å; W68-P70 HydrophobicContact CH2-CG 4.16Å; W68-P70 HydrophobicContact CZ2-CB 4.16Å; W68-P70 HydrophobicContact CZ2-CG 3.68Å
69	W	82.4	Confident	81	Confident	36 Å²	36	28.5 Å²	28.5	14%	0.136	15%	0.148	C	C	.	.			trans	-133.2	67.4	-175.6	-55.8	100.4	0	0	0	108.9	W46 W66 F222 K227 W232	W46-W69 AromaticContact CH2-CE3 3.99Å; W46-W69 HydrophobicContact CH2-CE3 3.99Å; W46-W69 HydrophobicContact CH2-CH2 4.33Å; W46-W69 AromaticContact CH2-CZ3 3.46Å; W46-W69 HydrophobicContact CH2-CZ3 3.46Å; W46-W69 VanDerWaalsContact CH2-CZ3 3.46Å; W46-W69 HydrophobicContact CZ2-CD2 4.42Å; W46-W69 AromaticContact CZ2-CE3 3.44Å; W46-W69 HydrophobicContact CZ2-CE3 3.44Å; W46-W69 VanDerWaalsContact CZ2-CE3 3.44Å; W46-W69 HydrophobicContact CZ2-CH2 4.15Å; W46-W69 AromaticContact CZ2-CZ3 3.3Å; W46-W69 HydrophobicContact CZ2-CZ3 3.3Å; W66-W69 HydrophobicContact CB-CZ2 4.17Å; W66-W69 AromaticContact CE3-CH2 3.75Å; W66-W69 HydrophobicContact CE3-CH2 3.75Å; W66-W69 AromaticContact CE3-CZ2 3.88Å; W66-W69 HydrophobicContact CE3-CZ2 3.88Å; W66-W69 HydrophobicContact CZ3-CH2 4.21Å; W66-W69 PolarHBondContact O-NE1 3.36Å; W69-F222 HydrophobicContact CB-CB 4.29Å; W69-F222 HydrophobicContact CB-CD2 3.87Å; W69-F222 HydrophobicContact CB-CG 4.26Å; W69-F222 HydrophobicContact CD2-CG 4.44Å; W69-F222 HydrophobicContact CE3-CB 4.12Å; W69-F222 AromaticContact CE3-CD1 3.56Å; W69-F222 HydrophobicContact CE3-CD1 3.56Å; W69-F222 AromaticContact CE3-CD2 3.94Å; W69-F222 HydrophobicContact CE3-CD2 3.94Å; W69-F222 AromaticContact CE3-CE1 3.86Å; W69-F222 HydrophobicContact CE3-CE1 3.86Å; W69-F222 HydrophobicContact CE3-CE2 4.22Å; W69-F222 AromaticContact CE3-CG 3.6Å; W69-F222 HydrophobicContact CE3-CG 3.6Å; W69-F222 HydrophobicContact CE3-CZ 4.18Å; W69-F222 AromaticContact CZ3-CD1 3.85Å; W69-F222 HydrophobicContact CZ3-CD1 3.85Å; W69-F222 AromaticContact CZ3-CE1 4Å; W69-F222 HydrophobicContact CZ3-CE1 4Å; W69-F222 HydrophobicContact CZ3-CG 4.34Å; W69-K227 HydrophobicContact CB-CD 4.25Å; W69-K227 HydrophobicContact CB-CG 4.27Å; W69-K227 HydrophobicContact CD2-CB 4.23Å; W69-K227 HydrophobicContact CD2-CD 4.45Å; W69-K227 HydrophobicContact CD2-CG 3.67Å; W69-K227 HydrophobicContact CE3-CG 4.15Å; W69-K227 HydrophobicContact CG-CD 3.96Å; W69-K227 HydrophobicContact CG-CG 3.7Å; W69-K227 HydrophobicContact CZ2-CB 4.19Å; W69-K227 VanDerWaalsContact CZ2-O 3.3Å; W69-K227 WeakPolarHBondContact CZ2-O 3.23Å; W69-W232 AromaticContact CH2-CD1 3.59Å; W69-W232 AromaticContact CH2-NE1 3.48Å; W69-W232 AromaticContact CZ3-CD1 3.74Å; W69-W232 AromaticContact CZ3-CE2 3.9Å; W69-W232 HydrophobicContact CZ3-CG 4.39Å; W69-W232 HydrophobicContact CZ3-CZ2 4.44Å; W69-W232 AromaticContact CZ3-NE1 3.4Å
70	P	82.5	Confident	82.2	Confident	20 Å²	20	26.2 Å²	26.2	13%	0.13	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-66.3	158.6	-178.1	31.6	-35.9	0	0	0	110.7	W46 I59 W68 L72 F222	W46-P70 HydrophobicContact CG-CG 4.48Å; I59-P70 HydrophobicContact CD1-CB 4.27Å; I59-P70 HydrophobicContact CG2-CG 3.93Å; W68-P70 HydrophobicContact CD2-CG 4.06Å; W68-P70 HydrophobicContact CH2-CG 4.16Å; W68-P70 HydrophobicContact CZ2-CB 4.16Å; W68-P70 HydrophobicContact CZ2-CG 3.68Å; P70-L72 HydrophobicContact CG-CD2 3.92Å; P70-L72 PolarHBondContact O-N 3.2Å; P70-F222 WeakPolarHBondContact O-CD2 3.3Å; P70-F222 WeakPolarHBondContact O-CE2 3.44Å
71	D	88.5	Confident	82.9	Confident	62 Å²	62	24 Å²	24	33%	0.332	12%	0.123	S	C	.	.	P	Polyproline II helix	trans	-68.3	127.3	163	-64	-23.7	0	0	0	108.2	T219 R221	D71-T219 HydrophobicContact CB-CG2 4.2Å; D71-R221 VanDerWaalsContact CG-CZ 3.44Å; D71-R221 WeakPolarHBondContact OD1-CG 3.41Å; D71-R221 IonicContact OD1-CZ 3.84Å; D71-R221 IonicContact OD1-NE 2.96Å; D71-R221 IonicContact OD1-NH1 3.3Å; D71-R221 PolarHBondContact OD1-NH1 3.45Å; D71-R221 IonicContact OD2-CZ 3.91Å; D71-R221 IonicContact OD2-NE 3.46Å; D71-R221 IonicContact OD2-NH1 2.91Å; D71-R221 PolarHBondContact OD2-NH1 3.27Å; D71-R221 IonicContact OD2-NH2 2.83Å; D71-R221 PolarHBondContact OD2-NH2 2.93Å
72	L	90.2	Very high	84.5	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-92.4	133.8	176.8	-39.8	178.6	0	0	0	108.9	W46 V48 W57 I59 P70 P74 I220 F222 I255	W46-L72 HydrophobicContact CB-CD2 3.83Å; W46-L72 HydrophobicContact CG-CD2 4.18Å; V48-L72 HydrophobicContact CG2-CB 4.32Å; V48-L72 HydrophobicContact CG2-CD1 3.9Å; W57-L72 HydrophobicContact CH2-CB 3.87Å; W57-L72 HydrophobicContact CH2-CD2 4.1Å; W57-L72 HydrophobicContact CZ3-CB 3.7Å; W57-L72 HydrophobicContact CZ3-CD2 3.89Å; W57-L72 HydrophobicContact CZ3-CG 4.28Å; I59-L72 HydrophobicContact CG2-CD2 3.93Å; P70-L72 HydrophobicContact CG-CD2 3.92Å; P70-L72 PolarHBondContact O-N 3.2Å; L72-P74 WeakPolarHBondContact O-CD 3.48Å; L72-I220 HydrophobicContact CB-CB 4.11Å; L72-I220 PolarHBondContact N-O 2.69Å; L72-I220 PolarHBondContact O-N 3.49Å; L72-F222 HydrophobicContact CD1-CE2 4.24Å; L72-F222 HydrophobicContact CD1-CZ 3.98Å; L72-F222 HydrophobicContact CD2-CE2 4.06Å; L72-F222 HydrophobicContact CD2-CZ 4.41Å; L72-F222 HydrophobicContact CG-CE2 4.1Å; L72-F222 HydrophobicContact CG-CZ 4.35Å; L72-I255 HydrophobicContact CD1-CD1 4.1Å; L72-I255 HydrophobicContact CD1-CG1 4.37Å; L72-I255 HydrophobicContact CD1-CG2 3.79Å
73	T	93.6	Very high	85.8	Confident	50 Å²	50	24.8 Å²	24.8	31%	0.307	13%	0.127	S	C	.	.			trans	-124	49.6	-173.9	53.3	0	0	0	0	115	L218	T73-L218 WeakPolarHBondContact CA-O 3.22Å
74	P	94.5	Very high	87.4	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.139	C	C	.	.			trans	-65.7	152.6	175.4	33.1	-37.8	0	0	0	111.1	V48 W57 L72 L79 L218 I220	V48-P74 HydrophobicContact CB-CB 4.42Å; V48-P74 HydrophobicContact CG1-CB 4.16Å; V48-P74 HydrophobicContact CG1-CG 4.09Å; V48-P74 HydrophobicContact CG2-CG 4.22Å; W57-P74 HydrophobicContact CB-CB 3.93Å; W57-P74 HydrophobicContact CD2-CB 4.31Å; W57-P74 HydrophobicContact CG-CB 3.96Å; L72-P74 WeakPolarHBondContact O-CD 3.48Å; P74-L79 HydrophobicContact CB-CD2 4.12Å; P74-L79 HydrophobicContact CG-CD2 4.4Å; P74-L218 WeakPolarHBondContact O-CB 3.37Å; P74-L218 PolarHBondContact O-N 2.95Å; P74-I220 HydrophobicContact CG-CD1 3.77Å; P74-I220 HydrophobicContact CG-CG1 4.49Å
75	D	96.5	Very high	88.8	Confident	6 Å²	6	30.7 Å²	30.7	3%	0.032	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-78.9	138.2	167.2	-166.9	-79.4	0	0	0	110.3	C77 M78 L79 W214 C215 N216 S217	D75-C77 PolarHBondContact O-N 3.07Å; D75-C77 WeakPolarHBondContact OD1-CA 3.41Å; D75-C77 WeakPolarHBondContact OD1-CB 2.99Å; D75-C77 PolarHBondContact OD1-N 2.95Å; D75-M78 HydrophobicContact CB-CB 4.35Å; D75-M78 HydrophobicContact CB-CE 4.34Å; D75-M78 HydrophobicContact CB-CG 3.9Å; D75-M78 HydrophobicContact CB-SD 3.97Å; D75-M78 WeakPolarHBondContact O-CB 3.28Å; D75-M78 PolarHBondContact O-N 3.11Å; D75-L79 PolarHBondContact O-N 2.95Å; D75-W214 HydrophobicContact CB-CB 3.95Å; D75-W214 HydrophobicContact CB-CG 4.43Å; D75-W214 WeakPolarHBondContact OD2-CB 3.4Å; D75-C215 PolarHBondContact OD2-N 3.32Å; D75-N216 WeakPolarHBondContact OD2-CA 3.18Å; D75-N216 PolarHBondContact OD2-N 3.36Å; D75-S217 PolarHBondContact OD2-N 2.99Å
76	L	97.3	Very high	89.9	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.005	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-36.2	177.3	-176.5	125.8	0	0	0	112.2	L79 W87 L138 N216 L218 L240	L76-L79 WeakPolarHBondContact O-CB 3.23Å; L76-L79 PolarHBondContact O-N 3.24Å; L76-W87 HydrophobicContact CD2-CE3 4.35Å; L76-W87 HydrophobicContact CD2-CH2 3.73Å; L76-W87 HydrophobicContact CD2-CZ3 3.51Å; L76-L138 HydrophobicContact CD2-CD1 3.99Å; L76-L138 HydrophobicContact CD2-CD2 3.64Å; L76-L138 HydrophobicContact CD2-CG 4.19Å; L76-N216 HydrophobicContact CB-CB 4.11Å; L76-N216 WeakPolarHBondContact CB-O 3.48Å; L76-N216 PolarHBondContact N-O 2.85Å; L76-L218 HydrophobicContact CB-CD1 4.18Å; L76-L218 HydrophobicContact CB-CD2 4.32Å; L76-L218 HydrophobicContact CB-CG 4.16Å; L76-L218 HydrophobicContact CD1-CD1 4.24Å; L76-L218 HydrophobicContact CD1-CD2 4.07Å; L76-L240 HydrophobicContact CD1-CD1 3.68Å; L76-L240 HydrophobicContact CD1-CD2 3.6Å; L76-L240 HydrophobicContact CD1-CG 4.33Å
77	C	96.5	Very high	90.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-25.2	176.6	-68.7	0	0	0	0	113.4	D75 L79 A80 L81 L89 C129 W214	D75-C77 PolarHBondContact O-N 3.07Å; D75-C77 WeakPolarHBondContact OD1-CA 3.41Å; D75-C77 WeakPolarHBondContact OD1-CB 2.99Å; D75-C77 PolarHBondContact OD1-N 2.95Å; C77-L79 VanDerWaalsContact C-N 3.27Å; C77-L79 PolarHBondContact O-N 3.29Å; C77-A80 WeakPolarHBondContact O-CB 3.49Å; C77-A80 PolarHBondContact O-N 3.33Å; C77-A80 VanDerWaalsContact O-N 3.15Å; C77-L81 PolarHBondContact O-N 2.82Å; C77-L89 HydrophobicContact CB-CD1 4.11Å; C77-L89 WeakPolarHBondContact O-CD1 3.4Å; C77-C129 WeakPolarHBondContact CA-SG 3.15Å; C77-C129 HydrophobicContact CB-CB 3.61Å; C77-C129 WeakPolarHBondContact CB-SG 3.21Å; C77-C129 WeakPolarHBondContact SG-CB 3.39Å; C77-C129 CovalentContact SG-SG 2.03Å; C77-C129 PolarHBondContact SG-SG 2.74Å; C77-W214 HydrophobicContact CB-CE3 3.48Å; C77-W214 VanDerWaalsContact CB-CE3 3.48Å; C77-W214 HydrophobicContact CB-CH2 4.08Å; C77-W214 HydrophobicContact CB-CZ3 3.21Å
78	M	93.9	Very high	92	Very high	38 Å²	38	27 Å²	27	19%	0.187	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-65.1	-35.5	170.6	-71.1	172.7	-179.4	0	0	111.1	V56 D75 A80 L81 W214	V56-M78 HydrophobicContact CB-CB 4.3Å; V56-M78 WeakPolarHBondContact CG1-O 3.29Å; V56-M78 HydrophobicContact CG2-CB 4.31Å; D75-M78 HydrophobicContact CB-CB 4.35Å; D75-M78 HydrophobicContact CB-CE 4.34Å; D75-M78 HydrophobicContact CB-CG 3.9Å; D75-M78 HydrophobicContact CB-SD 3.97Å; D75-M78 WeakPolarHBondContact O-CB 3.28Å; D75-M78 PolarHBondContact O-N 3.11Å; M78-A80 PolarHBondContact O-N 3.15Å; M78-L81 HydrophobicContact CB-CD1 4.34Å; M78-L81 HydrophobicContact CG-CD1 4.49Å; M78-L81 WeakPolarHBondContact O-CB 3.41Å; M78-L81 WeakPolarHBondContact O-CG 3.49Å; M78-L81 PolarHBondContact O-N 3.29Å; M78-W214 HydrophobicContact CE-CB 4.25Å; M78-W214 HydrophobicContact CE-CG 3.84Å
79	L	97.1	Very high	92.9	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-64.5	-20.7	175.3	-48.7	-177.3	0	0	0	112.6	V48 V56 P74 D75 L76 C77 L218 L251 F253	V48-L79 HydrophobicContact CG1-CD2 3.48Å; V48-L79 VanDerWaalsContact CG1-CD2 3.48Å; V56-L79 HydrophobicContact CG2-CD2 4.06Å; P74-L79 HydrophobicContact CB-CD2 4.12Å; P74-L79 HydrophobicContact CG-CD2 4.4Å; D75-L79 PolarHBondContact O-N 2.95Å; L76-L79 WeakPolarHBondContact O-CB 3.23Å; L76-L79 PolarHBondContact O-N 3.24Å; C77-L79 VanDerWaalsContact C-N 3.27Å; C77-L79 PolarHBondContact O-N 3.29Å; L79-L218 HydrophobicContact CD1-CD1 3.78Å; L79-L251 HydrophobicContact CB-CD1 3.72Å; L79-L251 HydrophobicContact CB-CD2 3.98Å; L79-L251 HydrophobicContact CD1-CD1 4.13Å; L79-F253 HydrophobicContact CB-CB 4.27Å; L79-F253 HydrophobicContact CD1-CB 3.92Å; L79-F253 HydrophobicContact CD1-CD1 3.99Å; L79-F253 HydrophobicContact CD1-CD2 4.48Å; L79-F253 HydrophobicContact CD1-CG 3.88Å; L79-F253 HydrophobicContact CD2-CB 3.93Å; L79-F253 HydrophobicContact CD2-CG 4.49Å; L79-F253 HydrophobicContact CG-CB 4.25Å
80	A	95.9	Very high	93.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-94.7	-1.6	-179.6	0	0	0	0	0	114.2	C77 M78 H82 G83 W87 L89 L251	C77-A80 WeakPolarHBondContact O-CB 3.49Å; C77-A80 PolarHBondContact O-N 3.33Å; C77-A80 VanDerWaalsContact O-N 3.15Å; M78-A80 PolarHBondContact O-N 3.15Å; A80-H82 PolarHBondContact O-N 3.3Å; A80-G83 WeakPolarHBondContact O-CA 3.17Å; A80-G83 PolarHBondContact O-N 2.86Å; A80-W87 HydrophobicContact CB-CB 3.48Å; A80-W87 VanDerWaalsContact CB-CB 3.48Å; A80-W87 HydrophobicContact CB-CD2 4.01Å; A80-W87 HydrophobicContact CB-CG 3.47Å; A80-W87 VanDerWaalsContact CB-CG 3.47Å; A80-L89 HydrophobicContact CB-CD1 4.21Å; A80-L89 WeakPolarHBondContact O-CB 3.29Å; A80-L251 HydrophobicContact CB-CD2 3.74Å
81	L	89.7	Confident	93.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	130.7	172.8	-68.5	169.2	0	0	0	109.8	N50 V56 C77 M78 G83 L89 R92 W214	N50-L81 PolarHBondContact ND2-O 2.99Å; V56-L81 HydrophobicContact CG1-CB 4.44Å; V56-L81 HydrophobicContact CG1-CD1 4.44Å; C77-L81 PolarHBondContact O-N 2.82Å; M78-L81 HydrophobicContact CB-CD1 4.34Å; M78-L81 HydrophobicContact CG-CD1 4.49Å; M78-L81 WeakPolarHBondContact O-CB 3.41Å; M78-L81 WeakPolarHBondContact O-CG 3.49Å; M78-L81 PolarHBondContact O-N 3.29Å; L81-G83 PolarHBondContact O-N 3.28Å; L81-G83 VanDerWaalsContact O-N 3.13Å; L81-L89 HydrophobicContact CD2-CB 4.37Å; L81-L89 HydrophobicContact CD2-CD1 4.14Å; L81-L89 HydrophobicContact CD2-CD2 4.49Å; L81-R92 HydrophobicContact CD2-CB 3.56Å; L81-W214 HydrophobicContact CD2-CZ2 4.48Å
82	H	90.1	Very high	93.8	Very high	66 Å²	66	37 Å²	37	31%	0.306	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	23.6	-167.6	-73.1	179	0	0	0	113.6	E54 A80 L89 E90 R92	E54-H82 IonicContact OE2-ND1 3.6Å; E54-H82 PolarHBondContact OE2-ND1 3.05Å; A80-H82 PolarHBondContact O-N 3.3Å; H82-L89 PolarHBondContact N-O 3.47Å; H82-L89 VanDerWaalsContact N-O 3.13Å; H82-E90 PolarHBondContact CD2-O 3.31Å; H82-E90 VanDerWaalsContact CD2-O 3.32Å; H82-R92 PolarHBondContact CD2-O 2.68Å; H82-R92 PolarHBondContact N-O 3.06Å
83	G	89	Confident	93.4	Very high	18 Å²	18	39.2 Å²	39.2	19%	0.186	21%	0.208	C	C	.	.			trans	-97	-162.8	-176.4	0	0	0	0	0	114.2	A80 L81	A80-G83 WeakPolarHBondContact O-CA 3.17Å; A80-G83 PolarHBondContact O-N 2.86Å; L81-G83 PolarHBondContact O-N 3.28Å; L81-G83 VanDerWaalsContact O-N 3.13Å
84	P	93.6	Very high	92.9	Very high	49 Å²	49	38.1 Å²	38.1	32%	0.318	20%	0.202	S	C	.	.			trans	-57.6	138.7	177.7	-25.2	35.1	0	0	0	113.1	Y86 W87 F170	P84-Y86 PolarHBondContact O-N 3.32Å; P84-W87 VanDerWaalsContact O-CD1 3.31Å; P84-W87 PolarHBondContact O-N 3.43Å; P84-W87 VanDerWaalsContact O-N 3.08Å; P84-F170 HydrophobicContact CG-CE1 4.24Å; P84-F170 HydrophobicContact CG-CZ 4.42Å
85	S	94.2	Very high	92.1	Very high	90 Å²	90	44.8 Å²	44.8	63%	0.629	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-58.7	-21.9	-175	58.4	0	0	0	0	115.1	W87 G88	S85-W87 PolarHBondContact O-N 3.25Å; S85-W87 VanDerWaalsContact O-N 3.13Å; S85-G88 PolarHBondContact O-N 3.04Å
86	Y	96.2	Very high	91.3	Very high	70 Å²	70	45.8 Å²	45.8	28%	0.275	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-49.4	-39.7	172.8	175.8	-93.7	0	0	0	112.4	P84 G88 T126 P127 R128 P249	P84-Y86 PolarHBondContact O-N 3.32Å; Y86-G88 VanDerWaalsContact C-N 3.34Å; Y86-T126 HydrophobicContact CE2-CG2 3.75Å; Y86-T126 WeakPolarHBondContact OH-CG2 3.49Å; Y86-P127 WeakPolarHBondContact CE1-O 3.24Å; Y86-P127 WeakPolarHBondContact OH-CD 3.36Å; Y86-P127 WeakPolarHBondContact OH-CG 2.98Å; Y86-P127 PolarHBondContact OH-O 3.22Å; Y86-P127 VanDerWaalsContact OH-O 3.07Å; Y86-R128 HydrophobicContact CE1-CB 4.33Å; Y86-R128 WeakPolarHBondContact O-CB 3.49Å; Y86-P249 HydrophobicContact CD1-CB 3.36Å; Y86-P249 HydrophobicContact CD1-CG 4.02Å; Y86-P249 HydrophobicContact CD2-CB 3.76Å; Y86-P249 HydrophobicContact CD2-CG 4.5Å; Y86-P249 HydrophobicContact CE1-CB 3.32Å; Y86-P249 HydrophobicContact CE1-CG 3.42Å; Y86-P249 VanDerWaalsContact CE1-CG 3.42Å; Y86-P249 HydrophobicContact CE2-CB 3.72Å; Y86-P249 HydrophobicContact CE2-CG 3.96Å; Y86-P249 HydrophobicContact CG-CB 3.58Å
87	W	97.2	Very high	90.7	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-77.8	-19.3	-175	-58.6	103.8	0	0	0	113.2	L76 A80 P84 S85 C129 L138 L242 G250 L251	L76-W87 HydrophobicContact CD2-CE3 4.35Å; L76-W87 HydrophobicContact CD2-CH2 3.73Å; L76-W87 HydrophobicContact CD2-CZ3 3.51Å; A80-W87 HydrophobicContact CB-CB 3.48Å; A80-W87 VanDerWaalsContact CB-CB 3.48Å; A80-W87 HydrophobicContact CB-CD2 4.01Å; A80-W87 HydrophobicContact CB-CG 3.47Å; A80-W87 VanDerWaalsContact CB-CG 3.47Å; P84-W87 VanDerWaalsContact O-CD1 3.31Å; P84-W87 PolarHBondContact O-N 3.43Å; P84-W87 VanDerWaalsContact O-N 3.08Å; S85-W87 PolarHBondContact O-N 3.25Å; S85-W87 VanDerWaalsContact O-N 3.13Å; W87-C129 WeakPolarHBondContact O-CB 3.45Å; W87-C129 PolarHBondContact O-N 3.17Å; W87-L138 HydrophobicContact CZ3-CD1 3.92Å; W87-L138 HydrophobicContact CZ3-CD2 4.11Å; W87-L242 HydrophobicContact CH2-CD1 3.79Å; W87-L242 HydrophobicContact CH2-CD2 4.12Å; W87-L242 HydrophobicContact CH2-CG 3.78Å; W87-L242 HydrophobicContact CZ3-CD1 4.14Å; W87-G250 PolarHBondContact NE1-O 3.34Å; W87-L251 HydrophobicContact CD2-CD2 4.25Å; W87-L251 HydrophobicContact CZ2-CD2 3.89Å; W87-L251 HydrophobicContact CZ2-CG 4.19Å
88	G	96	Very high	90.3	Very high	27 Å²	27	51.3 Å²	51.3	28%	0.278	27%	0.274	S	S	.	.	S	Bend	trans	72	34.5	178.6	0	0	0	0	0	114	S85 Y86 E90	S85-G88 PolarHBondContact O-N 3.04Å; Y86-G88 VanDerWaalsContact C-N 3.34Å; G88-E90 VanDerWaalsContact C-OE2 3.26Å; G88-E90 VanDerWaalsContact CA-OE2 3.24Å; G88-E90 WeakPolarHBondContact CA-OE2 3.33Å
89	L	95.7	Very high	90.2	Very high	1 Å²	1	50 Å²	50	1%	0.005	27%	0.269	C	S	.	.			trans	-133	13.9	-176.7	-65.9	-179.4	0	0	0	113	C77 A80 L81 H82 Y91 R92 P99 C129 W214	C77-L89 HydrophobicContact CB-CD1 4.11Å; C77-L89 WeakPolarHBondContact O-CD1 3.4Å; A80-L89 HydrophobicContact CB-CD1 4.21Å; A80-L89 WeakPolarHBondContact O-CB 3.29Å; L81-L89 HydrophobicContact CD2-CB 4.37Å; L81-L89 HydrophobicContact CD2-CD1 4.14Å; L81-L89 HydrophobicContact CD2-CD2 4.49Å; H82-L89 PolarHBondContact N-O 3.47Å; H82-L89 VanDerWaalsContact N-O 3.13Å; L89-Y91 PolarHBondContact O-N 2.71Å; L89-Y91 VanDerWaalsContact O-N 3.14Å; L89-R92 HydrophobicContact CD2-CG 4.28Å; L89-R92 PolarHBondContact O-N 2.96Å; L89-P99 HydrophobicContact CD2-CG 3.62Å; L89-C129 HydrophobicContact CD1-CB 3.48Å; L89-C129 VanDerWaalsContact CD1-CB 3.48Å; L89-C129 HydrophobicContact CD2-CB 4.43Å; L89-C129 HydrophobicContact CG-CB 3.85Å; L89-W214 HydrophobicContact CD1-CH2 3.84Å; L89-W214 HydrophobicContact CD1-CZ3 4.25Å; L89-W214 HydrophobicContact CD2-CH2 4.12Å
90	E	93.7	Very high	89.8	Confident	66 Å²	66	51.6 Å²	51.6	31%	0.308	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.8	-174.6	56.6	-91	-153.9	0	0	114.1	H82 G88	H82-E90 PolarHBondContact CD2-O 3.31Å; H82-E90 VanDerWaalsContact CD2-O 3.32Å; G88-E90 VanDerWaalsContact C-OE2 3.26Å; G88-E90 VanDerWaalsContact CA-OE2 3.24Å; G88-E90 WeakPolarHBondContact CA-OE2 3.33Å
91	Y	90.6	Very high	89.4	Confident	208 Å²	208	53.8 Å²	53.8	82%	0.816	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	10.7	178.8	-52.8	-67.3	0	0	0	113.6	L89	L89-Y91 PolarHBondContact O-N 2.71Å; L89-Y91 VanDerWaalsContact O-N 3.14Å
92	R	89	Confident	88.9	Confident	86 Å²	86	56 Å²	56	33%	0.325	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-103.8	121.7	-179.4	-68.6	-133.9	172.3	-161.7	-7.3	110.9	L81 H82 L89 P97	L81-R92 HydrophobicContact CD2-CB 3.56Å; H82-R92 PolarHBondContact CD2-O 2.68Å; H82-R92 PolarHBondContact N-O 3.06Å; L89-R92 HydrophobicContact CD2-CG 4.28Å; L89-R92 PolarHBondContact O-N 2.96Å; R92-P97 PolarHBondContact NH1-O 3.07Å
93	A	81.6	Confident	88.6	Confident	46 Å²	46	53.3 Å²	53.3	38%	0.38	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-66.4	157	176.8	0	0	0	0	0	112.1	S96	A93-S96 PolarHBondContact N-OG 3.01Å; A93-S96 WeakPolarHBondContact O-CB 3.46Å; A93-S96 PolarHBondContact O-N 2.97Å; A93-S96 PolarHBondContact O-OG 2.9Å
94	P	82	Confident	88.3	Confident	28 Å²	28	53.6 Å²	53.6	18%	0.182	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.5	146.5	169.3	-28.8	35.7	0	0	0	113.2	E54 T55 V56 S96	E54-P94 HydrophobicContact CB-CG 3.79Å; E54-P94 WeakPolarHBondContact OE2-CG 3.46Å; T55-P94 WeakPolarHBondContact O-CB 3.36Å; V56-P94 HydrophobicContact CG1-CB 4.06Å; V56-P94 HydrophobicContact CG1-CG 4.22Å; P94-S96 PolarHBondContact O-N 3.14Å; P94-S96 VanDerWaalsContact O-N 3.15Å
95	F	79.6	Confident	87	Confident	140 Å²	140	54.4 Å²	54.4	61%	0.614	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	9.1	-177.4	-50.8	-78.9	0	0	0	116.2	T55 V56	T55-F95 HydrophobicContact CG2-CZ 4.21Å; T55-F95 WeakPolarHBondContact O-CE2 3.48Å; T55-F95 WeakPolarHBondContact O-CZ 3.4Å; V56-F95 WeakPolarHBondContact O-CE1 3.23Å
96	S	79.5	Confident	85.3	Confident	27 Å²	27	54.8 Å²	54.8	19%	0.189	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-64.1	146.5	172.4	-65.1	0	0	0	0	112.1	A93 P94 W214	A93-S96 PolarHBondContact N-OG 3.01Å; A93-S96 WeakPolarHBondContact O-CB 3.46Å; A93-S96 PolarHBondContact O-N 2.97Å; A93-S96 PolarHBondContact O-OG 2.9Å; P94-S96 PolarHBondContact O-N 3.14Å; P94-S96 VanDerWaalsContact O-N 3.15Å; S96-W214 PolarHBondContact O-NE1 2.68Å
97	P	83.5	Confident	83.3	Confident	90 Å²	90	54.8 Å²	54.8	58%	0.584	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-67.5	161.5	173.4	29.4	-35	0	0	0	111.5	R92	R92-P97 PolarHBondContact NH1-O 3.07Å
98	P	89.1	Confident	81.1	Confident	26 Å²	26	60.6 Å²	60.6	17%	0.169	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-58.7	140	177.1	-18.7	28.8	0	0	0	112.6	N212 W214	P98-N212 WeakPolarHBondContact CB-O 3.48Å; P98-N212 VanDerWaalsContact CG-O 3.3Å; P98-N212 WeakPolarHBondContact CG-O 3.34Å; P98-W214 HydrophobicContact CB-CD2 4.1Å; P98-W214 HydrophobicContact CB-CE3 4.17Å; P98-W214 HydrophobicContact CB-CH2 4.28Å; P98-W214 HydrophobicContact CB-CZ2 4.22Å; P98-W214 HydrophobicContact CB-CZ3 4.22Å; P98-W214 HydrophobicContact CG-CD2 3.62Å; P98-W214 HydrophobicContact CG-CE3 4.15Å; P98-W214 HydrophobicContact CG-CG 3.74Å; P98-W214 HydrophobicContact CG-CZ2 4.23Å
99	P	91.1	Very high	78.9	Confident	12 Å²	12	66 Å²	66	8%	0.078	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-78.6	163.5	171.4	32	-36.6	0	0	0	112.8	L89 C129 N130 R135 N212	L89-P99 HydrophobicContact CD2-CG 3.62Å; P99-C129 WeakPolarHBondContact CG-O 3.24Å; P99-N130 CarbonylContact C-O 3.51Å; P99-N130 WeakPolarHBondContact CB-O 3.49Å; P99-N130 WeakPolarHBondContact CG-O 3.48Å; P99-R135 PolarHBondContact O-NH1 3.29Å; P99-R135 PolarHBondContact O-NH2 2.91Å; P99-N212 PolarHBondContact O-OD1 3.12Å
100	G	88.9	Confident	77.3	Confident	33 Å²	33	69.1 Å²	69.1	34%	0.34	42%	0.421	S	S	.	.	S	Bend	trans	97.6	162.6	175.5	0	0	0	0	0	113.2	N212	G100-N212 PolarHBondContact O-ND2 2.89Å
101	P	86.4	Confident	75.9	Confident	47 Å²	47	69.8 Å²	69.8	31%	0.305	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-75.6	155.8	174.2	31.8	-34	0	0	0	111.3	G113 W133	P101-G113 WeakPolarHBondContact CB-O 3.2Å; P101-W133 HydrophobicContact CG-CH2 3.93Å; P101-W133 HydrophobicContact CG-CZ3 4Å
102	P	80	Confident	75	Confident	47 Å²	47	66.3 Å²	66.3	31%	0.305	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-67.2	157	170.4	31	-34.8	0	0	0	111.9	C114 S115 N212	P102-C114 CarbonylContact O-C 3.51Å; P102-C114 VanDerWaalsContact O-CA 3.25Å; P102-C114 WeakPolarHBondContact O-CA 3.48Å; P102-S115 PolarHBondContact O-N 3.14Å; P102-N212 HydrophobicContact CB-CB 4.12Å
103	C	84.6	Confident	74.2	Confident	9 Å²	9	65.3 Å²	65.3	6%	0.061	45%	0.449	C	S	.	.	B	Isolated β-bridge	trans	-76.5	144.3	175.9	-56.4	0	0	0	0	110.6	S105 S115 C118 K210	C103-S105 PolarHBondContact O-N 3.47Å; C103-S115 WeakPolarHBondContact CA-O 3.04Å; C103-C118 VanDerWaalsContact CA-SG 3.59Å; C103-C118 HydrophobicContact CB-CB 3.51Å; C103-C118 WeakPolarHBondContact CB-SG 3.1Å; C103-C118 WeakPolarHBondContact SG-CB 3.49Å; C103-C118 CovalentContact SG-SG 2Å; C103-C118 PolarHBondContact SG-SG 3Å; C103-K210 HydrophobicContact CB-CB 4.12Å; C103-K210 HydrophobicContact CB-CG 4.34Å; C103-K210 VanDerWaalsContact CB-O 3.31Å; C103-K210 WeakPolarHBondContact CB-O 3.48Å; C103-K210 PolarHBondContact N-O 3.27Å; C103-K210 VanDerWaalsContact SG-CA 3.51Å; C103-K210 PolarHBondContact SG-O 3.47Å
104	C	82.6	Confident	74.3	Confident	24 Å²	24	64.4 Å²	64.4	16%	0.162	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-68.9	124.8	174.6	-62.9	0	0	0	0	111	C114 S115 R116	C104-C114 WeakPolarHBondContact CA-SG 3.49Å; C104-C114 HydrophobicContact CB-CB 3.93Å; C104-C114 WeakPolarHBondContact CB-SG 3.41Å; C104-C114 WeakPolarHBondContact SG-CB 3.21Å; C104-C114 PolarHBondContact SG-O 3.42Å; C104-C114 VanDerWaalsContact SG-O 3.37Å; C104-C114 CovalentContact SG-SG 2.05Å; C104-C114 PolarHBondContact SG-SG 3.25Å; C104-S115 PolarHBondContact N-O 3.31Å; C104-S115 VanDerWaalsContact SG-C 3.55Å; C104-R116 HydrophobicContact CB-CG 4.29Å
105	S	66.3	Low	74.5	Confident	66 Å²	66	64 Å²	64	46%	0.462	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-68.6	137.5	165.9	-43	0	0	0	0	109.3	C103 S107	C103-S105 PolarHBondContact O-N 3.47Å; S105-S107 PolarHBondContact O-N 3.28Å
106	G	57.5	Low	74.7	Confident	97 Å²	97	66.7 Å²	66.7	100%	1	44%	0.444	S	S	*	.	S	Bend	trans	-68.6	6.5	174.4	0	0	0	0	0	115.1
107	S	54.6	Low	74.9	Confident	70 Å²	70	68.4 Å²	68.4	49%	0.49	45%	0.451	S	S	.	.	S	Bend	trans	-93.8	156.7	175.8	56.6	0	0	0	0	111.5	S105 D109	S105-S107 PolarHBondContact O-N 3.28Å; S107-D109 PolarHBondContact O-N 2.96Å
108	S	50.6	Low	74.7	Confident	123 Å²	123	64.4 Å²	64.4	86%	0.86	43%	0.425	S	S	*	.	S	Bend	trans	-61.7	-5.8	-178.9	51.8	0	0	0	0	115.5
109	D	51.2	Low	74.1	Confident	141 Å²	141	68.9 Å²	68.9	75%	0.754	44%	0.443	S	S	*	.			trans	-102.7	51.7	175	-75.8	-24.2	0	0	0	111.3	S107 T111	S107-D109 PolarHBondContact O-N 2.96Å; D109-T111 PolarHBondContact O-N 3.06Å
110	S	61.3	Low	73.7	Confident	66 Å²	66	73.4 Å²	73.4	46%	0.462	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-71.5	126	174.7	63.7	0	0	0	0	110.4
111	T	63.8	Low	73.5	Confident	80 Å²	80	75.7 Å²	75.7	49%	0.491	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-58.3	129.7	174.2	8.6	0	0	0	0	110.3	D109 G113 C114	D109-T111 PolarHBondContact O-N 3.06Å; T111-G113 PolarHBondContact O-N 2.8Å; T111-C114 WeakPolarHBondContact O-CB 3.44Å; T111-C114 PolarHBondContact O-N 3.41Å
112	P	71.5	Confident	73.6	Confident	134 Å²	134	74.1 Å²	74.1	87%	0.87	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	126.4	174.8	-24.9	33.6	0	0	0	111
113	G	73.6	Confident	73.7	Confident	65 Å²	65	77.8 Å²	77.8	67%	0.67	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.1	10.2	-178.3	0	0	0	0	0	115.8	P101 T111	P101-G113 WeakPolarHBondContact CB-O 3.2Å; T111-G113 PolarHBondContact O-N 2.8Å
114	C	82.8	Confident	73.7	Confident	28 Å²	28	81.9 Å²	81.9	19%	0.189	51%	0.512	C	S	.	.			trans	-68.1	153.4	170.8	71.7	0	0	0	0	112.4	P102 C104 T111	P102-C114 CarbonylContact O-C 3.51Å; P102-C114 VanDerWaalsContact O-CA 3.25Å; P102-C114 WeakPolarHBondContact O-CA 3.48Å; C104-C114 WeakPolarHBondContact CA-SG 3.49Å; C104-C114 HydrophobicContact CB-CB 3.93Å; C104-C114 WeakPolarHBondContact CB-SG 3.41Å; C104-C114 WeakPolarHBondContact SG-CB 3.21Å; C104-C114 PolarHBondContact SG-O 3.42Å; C104-C114 VanDerWaalsContact SG-O 3.37Å; C104-C114 CovalentContact SG-SG 2.05Å; C104-C114 PolarHBondContact SG-SG 3.25Å; T111-C114 WeakPolarHBondContact O-CB 3.44Å; T111-C114 PolarHBondContact O-N 3.41Å
115	S	85.3	Confident	74.1	Confident	19 Å²	19	83 Å²	83	13%	0.133	51%	0.513	C	S	.	.	B	Isolated β-bridge	trans	-106	142.9	173.8	178.7	0	0	0	0	112.6	P102 C103 C104 D117	P102-S115 PolarHBondContact O-N 3.14Å; C103-S115 WeakPolarHBondContact CA-O 3.04Å; C104-S115 PolarHBondContact N-O 3.31Å; C104-S115 VanDerWaalsContact SG-C 3.55Å; S115-D117 WeakPolarHBondContact OG-CB 3.06Å; S115-D117 PolarHBondContact OG-N 2.86Å; S115-D117 PolarHBondContact OG-OD2 2.86Å
116	R	84.1	Confident	75.4	Confident	197 Å²	197	82.1 Å²	82.1	74%	0.743	51%	0.505	S	S	*	.	S	Bend	trans	-85.9	-6.7	171.9	-68.7	-173.9	175.7	179.4	-1.3	113.5	C104 C118 E119	C104-R116 HydrophobicContact CB-CG 4.29Å; R116-C118 PolarHBondContact O-N 2.88Å; R116-E119 PolarHBondContact O-N 3.5Å
117	D	84.4	Confident	77.3	Confident	63 Å²	63	78.1 Å²	78.1	34%	0.337	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-17.3	-178.5	-64.5	-41	0	0	0	113.6	S115 E119 E120 Y125 W133	S115-D117 WeakPolarHBondContact OG-CB 3.06Å; S115-D117 PolarHBondContact OG-N 2.86Å; S115-D117 PolarHBondContact OG-OD2 2.86Å; D117-E119 VanDerWaalsContact C-N 3.31Å; D117-E120 PolarHBondContact O-N 3.33Å; D117-Y125 PolarHBondContact O-OH 3.01Å; D117-W133 HydrophobicContact CB-CD2 3.63Å; D117-W133 HydrophobicContact CB-CE3 3.73Å; D117-W133 HydrophobicContact CB-CG 4.16Å; D117-W133 HydrophobicContact CB-CH2 4.08Å; D117-W133 HydrophobicContact CB-CZ2 4Å; D117-W133 HydrophobicContact CB-CZ3 3.96Å; D117-W133 WeakPolarHBondContact OD2-CH2 3.43Å; D117-W133 WeakPolarHBondContact OD2-CZ2 3.08Å
118	C	78.8	Confident	79.3	Confident	6 Å²	6	78.8 Å²	78.8	4%	0.041	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-18.4	175.8	-50.2	0	0	0	0	114.4	C103 R116	C103-C118 VanDerWaalsContact CA-SG 3.59Å; C103-C118 HydrophobicContact CB-CB 3.51Å; C103-C118 WeakPolarHBondContact CB-SG 3.1Å; C103-C118 WeakPolarHBondContact SG-CB 3.49Å; C103-C118 CovalentContact SG-SG 2Å; C103-C118 PolarHBondContact SG-SG 3Å; R116-C118 PolarHBondContact O-N 2.88Å
119	E	77	Confident	81.5	Confident	119 Å²	119	72.9 Å²	72.9	56%	0.556	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-12.8	174.8	-56.6	-55.7	153.4	0	0	111.9	R116 D117 K210	R116-E119 PolarHBondContact O-N 3.5Å; D117-E119 VanDerWaalsContact C-N 3.31Å; E119-K210 IonicContact OE1-NZ 2.81Å; E119-K210 PolarHBondContact OE1-NZ 3.08Å; E119-K210 IonicContact OE2-NZ 2.66Å; E119-K210 PolarHBondContact OE2-NZ 3.03Å
120	E	82.5	Confident	83.6	Confident	108 Å²	108	68.5 Å²	68.5	51%	0.505	39%	0.388	S	S	.	.	S	Bend	trans	-70.1	150.8	177	-69.9	-64.7	153	0	0	112.1	D117 L122 Y125	D117-E120 PolarHBondContact O-N 3.33Å; E120-L122 PolarHBondContact O-N 3.4Å; E120-Y125 HydrophobicContact CB-CE2 4.44Å
121	P	85.4	Confident	85.2	Confident	81 Å²	81	66.1 Å²	66.1	53%	0.526	37%	0.371	S	S	.	.			trans	-57	123.9	176.7	-24.1	34	0	0	0	112.3	T123	P121-T123 PolarHBondContact O-N 3.37Å
122	L	87.2	Confident	86.5	Confident	14 Å²	14	62.3 Å²	62.3	7%	0.073	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	9.2	-178.3	-51.6	-179.6	0	0	0	114.4	E120 Y125 W133 L136 K137 K140	E120-L122 PolarHBondContact O-N 3.4Å; L122-Y125 HydrophobicContact CB-CD2 4.45Å; L122-Y125 HydrophobicContact CD2-CD2 3.74Å; L122-Y125 HydrophobicContact CD2-CE2 4.05Å; L122-W133 HydrophobicContact CD2-CB 4.42Å; L122-L136 HydrophobicContact CD1-CB 4.17Å; L122-L136 HydrophobicContact CD1-CD2 3.71Å; L122-L136 HydrophobicContact CD1-CG 3.61Å; L122-L136 HydrophobicContact CD2-CD2 4.15Å; L122-L136 HydrophobicContact CG-CD2 4.47Å; L122-K137 HydrophobicContact CB-CB 4.43Å; L122-K137 HydrophobicContact CB-CD 4.18Å; L122-K137 VanDerWaalsContact O-CD 3.27Å; L122-K137 WeakPolarHBondContact O-CD 3.43Å; L122-K137 WeakPolarHBondContact O-CE 3.03Å; L122-K137 PolarHBondContact O-NZ 2.66Å; L122-K140 HydrophobicContact CD1-CD 3.7Å; L122-K140 VanDerWaalsContact CD1-CE 3.41Å; L122-K140 HydrophobicContact CD1-CG 4.14Å
123	T	83.7	Confident	87.5	Confident	123 Å²	123	57.2 Å²	57.2	76%	0.755	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-35.6	-176.7	46.1	0	0	0	0	112.2	P121	P121-T123 PolarHBondContact O-N 3.37Å
124	S	83.9	Confident	88.6	Confident	95 Å²	95	54.4 Å²	54.4	66%	0.664	28%	0.281	S	S	*	.	S	Bend	trans	-84.5	-16.2	-177.9	57.7	0	0	0	0	114.4
125	Y	91.2	Very high	89.2	Confident	47 Å²	47	53 Å²	53	18%	0.184	27%	0.272	C	S	.	.	S	Bend	trans	-83.7	146.8	-175	-62.1	-49.4	0	0	0	113.4	D117 E120 L122 W133 K137	D117-Y125 PolarHBondContact O-OH 3.01Å; E120-Y125 HydrophobicContact CB-CE2 4.44Å; L122-Y125 HydrophobicContact CB-CD2 4.45Å; L122-Y125 HydrophobicContact CD2-CD2 3.74Å; L122-Y125 HydrophobicContact CD2-CE2 4.05Å; Y125-W133 AromaticContact CD1-CD1 3.66Å; Y125-W133 HydrophobicContact CD2-CB 4.25Å; Y125-W133 AromaticContact CD2-CD1 3.83Å; Y125-W133 HydrophobicContact CD2-CG 4.4Å; Y125-W133 AromaticContact CE1-CD1 3.52Å; Y125-W133 AromaticContact CE1-NE1 3.76Å; Y125-W133 HydrophobicContact CE2-CB 4.07Å; Y125-W133 AromaticContact CE2-CD1 3.72Å; Y125-W133 HydrophobicContact CE2-CG 4.12Å; Y125-W133 AromaticContact CG-CD1 3.84Å; Y125-W133 AromaticContact CZ-CD1 3.57Å; Y125-K137 VanDerWaalsContact O-CE 3.25Å; Y125-K137 WeakPolarHBondContact O-CE 2.96Å; Y125-K137 WeakPolarHBondContact O-CG 3.4Å
126	T	94	Very high	89.6	Confident	48 Å²	48	52.6 Å²	52.6	29%	0.294	27%	0.268	S	S	.	.			trans	-79.4	137.6	170.7	-44.6	0	0	0	0	110.5	Y86 R128 N134	Y86-T126 HydrophobicContact CE2-CG2 3.75Å; Y86-T126 WeakPolarHBondContact OH-CG2 3.49Å; T126-R128 HydrophobicContact CG2-CG 4.36Å; T126-R128 PolarHBondContact O-N 3.47Å; T126-N134 PolarHBondContact O-ND2 3.47Å
127	P	95.8	Very high	90.1	Very high	13 Å²	13	45.3 Å²	45.3	8%	0.084	24%	0.241	C	C	.	.	S	Bend	trans	-75.3	91	174.6	28.8	-30.9	0	0	0	111.2	Y86 K137 L138 V141 L242 V244	Y86-P127 WeakPolarHBondContact CE1-O 3.24Å; Y86-P127 WeakPolarHBondContact OH-CD 3.36Å; Y86-P127 WeakPolarHBondContact OH-CG 2.98Å; Y86-P127 PolarHBondContact OH-O 3.22Å; Y86-P127 VanDerWaalsContact OH-O 3.07Å; P127-K137 HydrophobicContact CB-CG 4.13Å; P127-L138 HydrophobicContact CB-CB 4.14Å; P127-L138 HydrophobicContact CB-CD1 4.03Å; P127-V141 HydrophobicContact CB-CB 4.06Å; P127-V141 HydrophobicContact CB-CG1 4.38Å; P127-V141 HydrophobicContact CB-CG2 3.87Å; P127-V141 HydrophobicContact CG-CB 4.49Å; P127-V141 HydrophobicContact CG-CG1 4.43Å; P127-V141 HydrophobicContact CG-CG2 4.06Å; P127-L242 HydrophobicContact CB-CD1 4.09Å; P127-L242 HydrophobicContact CG-CD1 4.07Å; P127-V244 HydrophobicContact CG-CG1 4.5Å
128	R	96.8	Very high	90.7	Very high	84 Å²	84	42.3 Å²	42.3	32%	0.317	23%	0.225	S	C	.	.	S	Bend	trans	-148.2	-169.7	-177	60.1	176.4	160.6	-168	-10.1	111.1	Y86 T126 N130 N134 R135	Y86-R128 HydrophobicContact CE1-CB 4.33Å; Y86-R128 WeakPolarHBondContact O-CB 3.49Å; T126-R128 HydrophobicContact CG2-CG 4.36Å; T126-R128 PolarHBondContact O-N 3.47Å; R128-N130 WeakPolarHBondContact CD-OD1 3.38Å; R128-N130 WeakPolarHBondContact CG-OD1 3.33Å; R128-N130 PolarHBondContact NE-OD1 3.11Å; R128-N134 HydrophobicContact CG-CB 3.89Å; R128-N134 CarbonylContact O-C 3.6Å; R128-N134 VanDerWaalsContact O-O 3.1Å; R128-R135 PolarHBondContact O-N 3.12Å
129	C	97.4	Very high	91.5	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-114.5	-2.3	-163.6	-60.8	0	0	0	0	116.6	C77 W87 L89 P99 T131 R135 W214	C77-C129 WeakPolarHBondContact CA-SG 3.15Å; C77-C129 HydrophobicContact CB-CB 3.61Å; C77-C129 WeakPolarHBondContact CB-SG 3.21Å; C77-C129 WeakPolarHBondContact SG-CB 3.39Å; C77-C129 CovalentContact SG-SG 2.03Å; C77-C129 PolarHBondContact SG-SG 2.74Å; W87-C129 WeakPolarHBondContact O-CB 3.45Å; W87-C129 PolarHBondContact O-N 3.17Å; L89-C129 HydrophobicContact CD1-CB 3.48Å; L89-C129 VanDerWaalsContact CD1-CB 3.48Å; L89-C129 HydrophobicContact CD2-CB 4.43Å; L89-C129 HydrophobicContact CG-CB 3.85Å; P99-C129 WeakPolarHBondContact CG-O 3.24Å; C129-T131 PolarHBondContact O-N 3.07Å; C129-R135 PolarHBondContact O-NH1 2.88Å; C129-W214 HydrophobicContact CB-CZ3 4.5Å
130	N	94.8	Very high	92.3	Very high	48 Å²	48	41.4 Å²	41.4	26%	0.257	22%	0.219	S	C	.	.	S	Bend	trans	-72.7	-19.9	-169.6	65.9	-41	0	0	0	115.8	P99 R128 N134	P99-N130 CarbonylContact C-O 3.51Å; P99-N130 WeakPolarHBondContact CB-O 3.49Å; P99-N130 WeakPolarHBondContact CG-O 3.48Å; R128-N130 WeakPolarHBondContact CD-OD1 3.38Å; R128-N130 WeakPolarHBondContact CG-OD1 3.33Å; R128-N130 PolarHBondContact NE-OD1 3.11Å; N130-N134 WeakPolarHBondContact OD1-CB 3.32Å; N130-N134 PolarHBondContact OD1-OD1 3.07Å; N130-N134 VanDerWaalsContact OD1-OD1 3.08Å
131	T	95	Very high	92.9	Very high	16 Å²	16	37.1 Å²	37.1	10%	0.098	20%	0.2	C	C	.	.	S	Bend	trans	-145	166	179	70.1	0	0	0	0	111.5	C129 W133 N134 R135	C129-T131 PolarHBondContact O-N 3.07Å; T131-W133 HydrophobicContact CG2-CD2 4.5Å; T131-W133 HydrophobicContact CG2-CH2 4.01Å; T131-W133 HydrophobicContact CG2-CZ2 3.55Å; T131-W133 PolarHBondContact O-N 3.05Å; T131-W133 VanDerWaalsContact OG1-CD2 3.26Å; T131-W133 PolarHBondContact OG1-NE1 2.9Å; T131-W133 VanDerWaalsContact OG1-NE1 3.15Å; T131-N134 PolarHBondContact O-N 3.4Å; T131-N134 WeakPolarHBondContact OG1-CB 3.48Å; T131-N134 PolarHBondContact OG1-N 2.02Å; T131-N134 VanDerWaalsContact OG1-N 3.15Å; T131-N134 PolarHBondContact OG1-OD1 3.46Å; T131-R135 WeakPolarHBondContact O-CG 3.2Å; T131-R135 PolarHBondContact O-N 3.3Å
132	A	91.9	Very high	93.4	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.008	18%	0.176	C	C	.	.	H	α-helix	trans	-57.2	-45.2	176.3	0	0	0	0	0	113.2	R135 L136 C209	A132-R135 PolarHBondContact O-N 3.43Å; A132-L136 WeakPolarHBondContact O-CB 3.33Å; A132-L136 PolarHBondContact O-N 3.47Å; A132-C209 WeakPolarHBondContact CB-O 3.43Å
133	W	92.7	Very high	93.8	Very high	26 Å²	26	34.3 Å²	34.3	10%	0.098	18%	0.18	C	C	.	.	H	α-helix	trans	-72.9	-31.8	179.6	53.3	93.7	0	0	0	113.2	P101 D117 L122 Y125 T131 L136 K137	P101-W133 HydrophobicContact CG-CH2 3.93Å; P101-W133 HydrophobicContact CG-CZ3 4Å; D117-W133 HydrophobicContact CB-CD2 3.63Å; D117-W133 HydrophobicContact CB-CE3 3.73Å; D117-W133 HydrophobicContact CB-CG 4.16Å; D117-W133 HydrophobicContact CB-CH2 4.08Å; D117-W133 HydrophobicContact CB-CZ2 4Å; D117-W133 HydrophobicContact CB-CZ3 3.96Å; D117-W133 WeakPolarHBondContact OD2-CH2 3.43Å; D117-W133 WeakPolarHBondContact OD2-CZ2 3.08Å; L122-W133 HydrophobicContact CD2-CB 4.42Å; Y125-W133 AromaticContact CD1-CD1 3.66Å; Y125-W133 HydrophobicContact CD2-CB 4.25Å; Y125-W133 AromaticContact CD2-CD1 3.83Å; Y125-W133 HydrophobicContact CD2-CG 4.4Å; Y125-W133 AromaticContact CE1-CD1 3.52Å; Y125-W133 AromaticContact CE1-NE1 3.76Å; Y125-W133 HydrophobicContact CE2-CB 4.07Å; Y125-W133 AromaticContact CE2-CD1 3.72Å; Y125-W133 HydrophobicContact CE2-CG 4.12Å; Y125-W133 AromaticContact CG-CD1 3.84Å; Y125-W133 AromaticContact CZ-CD1 3.57Å; T131-W133 HydrophobicContact CG2-CD2 4.5Å; T131-W133 HydrophobicContact CG2-CH2 4.01Å; T131-W133 HydrophobicContact CG2-CZ2 3.55Å; T131-W133 PolarHBondContact O-N 3.05Å; T131-W133 VanDerWaalsContact OG1-CD2 3.26Å; T131-W133 PolarHBondContact OG1-NE1 2.9Å; T131-W133 VanDerWaalsContact OG1-NE1 3.15Å; W133-L136 PolarHBondContact O-N 2.68Å; W133-K137 WeakPolarHBondContact O-CB 3.45Å; W133-K137 PolarHBondContact O-N 3.43Å
134	N	96	Very high	94.1	Very high	6 Å²	6	30.4 Å²	30.4	3%	0.032	16%	0.16	C	C	.	.	H	α-helix	trans	-66.1	-40	170.9	-75.9	109.1	0	0	0	111.1	T126 R128 N130 T131 K137 L138	T126-N134 PolarHBondContact O-ND2 3.47Å; R128-N134 HydrophobicContact CG-CB 3.89Å; R128-N134 CarbonylContact O-C 3.6Å; R128-N134 VanDerWaalsContact O-O 3.1Å; N130-N134 WeakPolarHBondContact OD1-CB 3.32Å; N130-N134 PolarHBondContact OD1-OD1 3.07Å; N130-N134 VanDerWaalsContact OD1-OD1 3.08Å; T131-N134 PolarHBondContact O-N 3.4Å; T131-N134 WeakPolarHBondContact OG1-CB 3.48Å; T131-N134 PolarHBondContact OG1-N 2.02Å; T131-N134 VanDerWaalsContact OG1-N 3.15Å; T131-N134 PolarHBondContact OG1-OD1 3.46Å; N134-K137 WeakPolarHBondContact O-CB 3.29Å; N134-K137 PolarHBondContact O-N 3.22Å; N134-L138 WeakPolarHBondContact O-CB 3.37Å; N134-L138 PolarHBondContact O-N 3.12Å
135	R	95.6	Very high	94.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.6	-35.5	173	-72.1	-169.9	-64.6	-85.2	2.4	112.5	P99 R128 C129 T131 A132 L138 S139 N212 E213 N216	P99-R135 PolarHBondContact O-NH1 3.29Å; P99-R135 PolarHBondContact O-NH2 2.91Å; R128-R135 PolarHBondContact O-N 3.12Å; C129-R135 PolarHBondContact O-NH1 2.88Å; T131-R135 WeakPolarHBondContact O-CG 3.2Å; T131-R135 PolarHBondContact O-N 3.3Å; A132-R135 PolarHBondContact O-N 3.43Å; R135-L138 WeakPolarHBondContact O-CB 2.92Å; R135-L138 PolarHBondContact O-N 2.85Å; R135-S139 PolarHBondContact O-N 3.49Å; R135-N212 PolarHBondContact NH2-OD1 3.03Å; R135-E213 PolarHBondContact NE-O 3.04Å; R135-N216 PolarHBondContact O-ND2 2.84Å; R135-N216 VanDerWaalsContact O-ND2 3.12Å; R135-N216 PolarHBondContact O-OD1 2.9Å
136	L	93.7	Very high	94.1	Very high	9 Å²	9	36.9 Å²	36.9	5%	0.047	19%	0.186	C	C	.	.	H	α-helix	trans	-66.5	-41.5	173.5	-170.6	66.3	0	0	0	111.5	L122 A132 W133 S139 K140 T206 C209	L122-L136 HydrophobicContact CD1-CB 4.17Å; L122-L136 HydrophobicContact CD1-CD2 3.71Å; L122-L136 HydrophobicContact CD1-CG 3.61Å; L122-L136 HydrophobicContact CD2-CD2 4.15Å; L122-L136 HydrophobicContact CG-CD2 4.47Å; A132-L136 WeakPolarHBondContact O-CB 3.33Å; A132-L136 PolarHBondContact O-N 3.47Å; W133-L136 PolarHBondContact O-N 2.68Å; L136-S139 PolarHBondContact O-N 2.83Å; L136-K140 PolarHBondContact O-N 3.14Å; L136-T206 HydrophobicContact CD1-CG2 4Å; L136-C209 HydrophobicContact CB-CB 4.19Å; L136-C209 HydrophobicContact CD1-CB 4.01Å
137	K	95	Very high	94	Very high	44 Å²	44	34.9 Å²	34.9	19%	0.191	18%	0.175	C	C	.	.	H	α-helix	trans	-62	-44.2	172.6	173.7	58.1	168.9	-149	0	111.6	L122 Y125 P127 W133 N134 S139 K140 V141	L122-K137 HydrophobicContact CB-CB 4.43Å; L122-K137 HydrophobicContact CB-CD 4.18Å; L122-K137 VanDerWaalsContact O-CD 3.27Å; L122-K137 WeakPolarHBondContact O-CD 3.43Å; L122-K137 WeakPolarHBondContact O-CE 3.03Å; L122-K137 PolarHBondContact O-NZ 2.66Å; Y125-K137 VanDerWaalsContact O-CE 3.25Å; Y125-K137 WeakPolarHBondContact O-CE 2.96Å; Y125-K137 WeakPolarHBondContact O-CG 3.4Å; P127-K137 HydrophobicContact CB-CG 4.13Å; W133-K137 WeakPolarHBondContact O-CB 3.45Å; W133-K137 PolarHBondContact O-N 3.43Å; N134-K137 WeakPolarHBondContact O-CB 3.29Å; N134-K137 PolarHBondContact O-N 3.22Å; K137-S139 VanDerWaalsContact C-N 3.33Å; K137-S139 PolarHBondContact O-N 2.79Å; K137-K140 PolarHBondContact O-N 3.15Å; K137-V141 HydrophobicContact CD-CG2 4.15Å; K137-V141 WeakPolarHBondContact O-CG2 3.32Å; K137-V141 PolarHBondContact O-N 3.35Å
138	L	96.6	Very high	94	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-56.9	-47.1	174.2	177.1	59.9	0	0	0	111	L76 W87 P127 N134 R135 K140 V141 T142 N216 L242	L76-L138 HydrophobicContact CD2-CD1 3.99Å; L76-L138 HydrophobicContact CD2-CD2 3.64Å; L76-L138 HydrophobicContact CD2-CG 4.19Å; W87-L138 HydrophobicContact CZ3-CD1 3.92Å; W87-L138 HydrophobicContact CZ3-CD2 4.11Å; P127-L138 HydrophobicContact CB-CB 4.14Å; P127-L138 HydrophobicContact CB-CD1 4.03Å; N134-L138 WeakPolarHBondContact O-CB 3.37Å; N134-L138 PolarHBondContact O-N 3.12Å; R135-L138 WeakPolarHBondContact O-CB 2.92Å; R135-L138 PolarHBondContact O-N 2.85Å; L138-K140 PolarHBondContact O-N 2.91Å; L138-V141 PolarHBondContact O-N 3.48Å; L138-V141 VanDerWaalsContact O-N 3.1Å; L138-T142 HydrophobicContact CD1-CG2 4.09Å; L138-T142 WeakPolarHBondContact O-CG2 3.44Å; L138-T142 PolarHBondContact O-N 2.89Å; L138-T142 PolarHBondContact O-OG1 3.49Å; L138-N216 HydrophobicContact CD2-CB 4.32Å; L138-L242 HydrophobicContact CD1-CD1 3.6Å; L138-L242 HydrophobicContact CD1-CD2 3.93Å; L138-L242 HydrophobicContact CD1-CG 4.41Å
139	S	95.1	Very high	94.1	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.007	16%	0.156	C	C	.	.	H	α-helix	trans	-59.3	-44.3	176.3	-178.5	0	0	0	0	111.8	R135 L136 K137 V141 T142 H143 A205 N216	R135-S139 PolarHBondContact O-N 3.49Å; L136-S139 PolarHBondContact O-N 2.83Å; K137-S139 VanDerWaalsContact C-N 3.33Å; K137-S139 PolarHBondContact O-N 2.79Å; S139-V141 VanDerWaalsContact C-N 3.34Å; S139-V141 PolarHBondContact O-N 3.13Å; S139-T142 PolarHBondContact O-N 3.01Å; S139-T142 PolarHBondContact O-OG1 3.2Å; S139-H143 WeakPolarHBondContact O-CB 3.44Å; S139-H143 PolarHBondContact O-N 2.82Å; S139-H143 PolarHBondContact O-ND1 2.89Å; S139-A205 WeakPolarHBondContact OG-CB 3.29Å; S139-N216 WeakPolarHBondContact CA-OD1 3.42Å; S139-N216 WeakPolarHBondContact CB-OD1 3.42Å; S139-N216 PolarHBondContact N-OD1 2.03Å
140	K	93.6	Very high	94.1	Very high	105 Å²	105	30.8 Å²	30.8	46%	0.457	16%	0.157	S	C	.	.	H	α-helix	trans	-61	-41.1	174.1	-71.7	-158	-173	171.9	0	112.7	L122 L136 K137 L138 H143 A144	L122-K140 HydrophobicContact CD1-CD 3.7Å; L122-K140 VanDerWaalsContact CD1-CE 3.41Å; L122-K140 HydrophobicContact CD1-CG 4.14Å; L136-K140 PolarHBondContact O-N 3.14Å; K137-K140 PolarHBondContact O-N 3.15Å; L138-K140 PolarHBondContact O-N 2.91Å; K140-H143 CarbonylContact O-C 3.42Å; K140-H143 PolarHBondContact O-N 3.48Å; K140-A144 PolarHBondContact O-N 2.68Å
141	V	95.3	Very high	94.3	Very high	19 Å²	19	28.5 Å²	28.5	12%	0.115	15%	0.145	C	C	.	.	H	α-helix	trans	-67.3	-46.4	179.6	166.9	0	0	0	0	111.1	P127 K137 L138 S139 H143 A144 G148 V244	P127-V141 HydrophobicContact CB-CB 4.06Å; P127-V141 HydrophobicContact CB-CG1 4.38Å; P127-V141 HydrophobicContact CB-CG2 3.87Å; P127-V141 HydrophobicContact CG-CB 4.49Å; P127-V141 HydrophobicContact CG-CG1 4.43Å; P127-V141 HydrophobicContact CG-CG2 4.06Å; K137-V141 HydrophobicContact CD-CG2 4.15Å; K137-V141 WeakPolarHBondContact O-CG2 3.32Å; K137-V141 PolarHBondContact O-N 3.35Å; L138-V141 PolarHBondContact O-N 3.48Å; L138-V141 VanDerWaalsContact O-N 3.1Å; S139-V141 VanDerWaalsContact C-N 3.34Å; S139-V141 PolarHBondContact O-N 3.13Å; V141-H143 PolarHBondContact O-N 3.24Å; V141-H143 VanDerWaalsContact O-N 3.16Å; V141-A144 PolarHBondContact O-N 2.66Å; V141-G148 WeakPolarHBondContact O-CA 3.37Å; V141-G148 PolarHBondContact O-N 2.98Å; V141-V244 HydrophobicContact CG1-CG1 3.59Å
142	T	96.3	Very high	94.4	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.018	14%	0.141	C	C	.	.	H	α-helix	trans	-64.8	-19.1	175.7	64.7	0	0	0	0	111.5	L138 S139 F149 R182 N198 L242	L138-T142 HydrophobicContact CD1-CG2 4.09Å; L138-T142 WeakPolarHBondContact O-CG2 3.44Å; L138-T142 PolarHBondContact O-N 2.89Å; L138-T142 PolarHBondContact O-OG1 3.49Å; S139-T142 PolarHBondContact O-N 3.01Å; S139-T142 PolarHBondContact O-OG1 3.2Å; T142-F149 HydrophobicContact CG2-CD1 4.13Å; T142-R182 WeakPolarHBondContact O-CD 3.44Å; T142-R182 PolarHBondContact O-NE 3.28Å; T142-R182 VanDerWaalsContact O-NE 3.15Å; T142-R182 PolarHBondContact O-NH1 2.96Å; T142-N198 PolarHBondContact O-ND2 3.06Å; T142-N198 PolarHBondContact OG1-ND2 2.88Å; T142-L242 HydrophobicContact CG2-CD2 3.98Å
143	H	94.8	Very high	94.7	Very high	33 Å²	33	27.9 Å²	27.9	15%	0.153	14%	0.141	C	C	.	.	H	α-helix	trans	-93.6	-16	176.7	-75.5	81.7	0	0	0	116	S139 K140 V141 R182 N198 L200 S202	S139-H143 WeakPolarHBondContact O-CB 3.44Å; S139-H143 PolarHBondContact O-N 2.82Å; S139-H143 PolarHBondContact O-ND1 2.89Å; K140-H143 CarbonylContact O-C 3.42Å; K140-H143 PolarHBondContact O-N 3.48Å; V141-H143 PolarHBondContact O-N 3.24Å; V141-H143 VanDerWaalsContact O-N 3.16Å; H143-R182 PolarHBondContact CD2-NH1 3.38Å; H143-R182 PolarHBondContact NE2-NH1 3.29Å; H143-R182 PolarHBondContact O-NH2 3.02Å; H143-N198 PolarHBondContact CE1-ND2 2.91Å; H143-N198 PolarHBondContact ND1-ND2 3.46Å; H143-N198 PolarHBondContact NE2-ND2 3.47Å; H143-L200 PolarHBondContact CE1-O 3.11Å; H143-L200 VanDerWaalsContact CE1-O 3.29Å; H143-L200 PolarHBondContact NE2-O 3.24Å; H143-S202 PolarHBondContact NE2-N 3.39Å
144	A	91.8	Very high	94.7	Very high	41 Å²	41	26.6 Å²	26.6	34%	0.339	14%	0.137	S	C	.	.			trans	-68	142.2	-172.8	0	0	0	0	0	112.3	K140 V141 G147	K140-A144 PolarHBondContact O-N 2.68Å; V141-A144 PolarHBondContact O-N 2.66Å; A144-G147 CarbonylContact O-C 3.07Å; A144-G147 PolarHBondContact O-N 3.1Å
145	H	87.4	Confident	94.5	Very high	142 Å²	142	30.9 Å²	30.9	66%	0.657	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-41.4	174.7	179.4	-85.1	0	0	0	112.2	G147 S184	H145-G147 VanDerWaalsContact C-N 3.26Å; H145-G147 PolarHBondContact O-N 3.34Å; H145-S184 WeakPolarHBondContact O-CB 3.45Å
146	N	86.3	Confident	94.2	Very high	136 Å²	136	32.3 Å²	32.3	73%	0.727	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	14.4	177.6	-62.3	-5.4	0	0	0	112.4
147	G	91.8	Very high	94	Very high	6 Å²	6	34.2 Å²	34.2	6%	0.062	18%	0.178	C	C	.	.			trans	-133.4	-141.3	175.7	0	0	0	0	0	109.7	A144 H145 Y243	A144-G147 CarbonylContact O-C 3.07Å; A144-G147 PolarHBondContact O-N 3.1Å; H145-G147 VanDerWaalsContact C-N 3.26Å; H145-G147 PolarHBondContact O-N 3.34Å; G147-Y243 VanDerWaalsContact CA-O 3.28Å; G147-Y243 WeakPolarHBondContact CA-O 3.34Å
148	G	96.2	Very high	93.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.18	C	C	.	.			trans	110.3	-150	-179.2	0	0	0	0	0	112.4	V141 R182 Y243	V141-G148 WeakPolarHBondContact O-CA 3.37Å; V141-G148 PolarHBondContact O-N 2.98Å; G148-R182 CarbonylContact C-O 3.56Å; G148-R182 WeakPolarHBondContact CA-O 3.41Å; G148-Y243 PolarHBondContact O-N 2.91Å
149	F	98.1	Very high	92.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	155.6	176.2	67	-85.4	0	0	0	110.7	T142 V151 G181 R182 V196 N198 L218 L240 R241 L242	T142-F149 HydrophobicContact CG2-CD1 4.13Å; F149-V151 HydrophobicContact CD2-CG2 4.03Å; F149-V151 HydrophobicContact CE2-CG2 4.09Å; F149-G181 CarbonylContact O-C 3.57Å; F149-G181 WeakPolarHBondContact O-CA 3.31Å; F149-R182 HydrophobicContact CD1-CB 4.22Å; F149-R182 HydrophobicContact CE1-CB 3.68Å; F149-R182 HydrophobicContact CZ-CB 4.06Å; F149-R182 PolarHBondContact N-O 3.22Å; F149-R182 CarbonylContact O-C 3.23Å; F149-R182 PolarHBondContact O-N 3.4Å; F149-V196 HydrophobicContact CE2-CB 4.28Å; F149-V196 HydrophobicContact CE2-CG1 3.73Å; F149-V196 HydrophobicContact CZ-CG1 4.09Å; F149-N198 WeakPolarHBondContact CE1-OD1 3.05Å; F149-L218 HydrophobicContact CE1-CD2 4.36Å; F149-L218 HydrophobicContact CE2-CD2 4.44Å; F149-L218 HydrophobicContact CZ-CD2 3.93Å; F149-L240 HydrophobicContact CB-CD2 4.13Å; F149-L240 HydrophobicContact CB-CG 4.5Å; F149-L240 HydrophobicContact CD2-CD1 3.72Å; F149-L240 HydrophobicContact CD2-CD2 4.32Å; F149-L240 HydrophobicContact CD2-CG 3.89Å; F149-L240 HydrophobicContact CE2-CD1 4.01Å; F149-L240 HydrophobicContact CG-CD1 4.49Å; F149-L240 HydrophobicContact CG-CD2 4.46Å; F149-R241 CarbonylContact C-O 3.53Å; F149-R241 WeakPolarHBondContact CA-O 2.98Å; F149-R241 WeakPolarHBondContact CB-O 3.36Å; F149-L242 HydrophobicContact CB-CD2 4.1Å
150	Y	98.3	Very high	91.8	Very high	10 Å²	10	51.5 Å²	51.5	4%	0.039	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	152.9	177.6	56.3	-86.2	0	0	0	110.4	C172 W175 E178 W185 L240 R241 Y243 D248	Y150-C172 HydrophobicContact CD2-CB 4.46Å; Y150-C172 HydrophobicContact CE2-CB 3.86Å; Y150-W175 HydrophobicContact CD1-CH2 4.17Å; Y150-W175 AromaticContact CD1-CZ3 3.99Å; Y150-W175 HydrophobicContact CD1-CZ3 3.99Å; Y150-W175 HydrophobicContact CD2-CZ3 4.15Å; Y150-W175 AromaticContact CE1-CH2 3.65Å; Y150-W175 HydrophobicContact CE1-CH2 3.65Å; Y150-W175 AromaticContact CE1-CZ3 3.81Å; Y150-W175 HydrophobicContact CE1-CZ3 3.81Å; Y150-W175 HydrophobicContact CE2-CH2 4.41Å; Y150-W175 AromaticContact CE2-CZ3 3.94Å; Y150-W175 HydrophobicContact CE2-CZ3 3.94Å; Y150-W175 HydrophobicContact CG-CZ3 4.16Å; Y150-W175 AromaticContact CZ-CH2 3.78Å; Y150-W175 AromaticContact CZ-CZ3 3.77Å; Y150-E178 HydrophobicContact CD2-CB 3.99Å; Y150-E178 HydrophobicContact CG-CB 4.39Å; Y150-W185 HydrophobicContact CD1-CH2 4.39Å; Y150-W185 HydrophobicContact CD1-CZ2 4.28Å; Y150-W185 HydrophobicContact CG-CZ2 4.48Å; Y150-L240 WeakPolarHBondContact O-CA 3.47Å; Y150-R241 HydrophobicContact CD1-CB 4.47Å; Y150-R241 HydrophobicContact CD2-CB 4.24Å; Y150-R241 HydrophobicContact CE1-CB 3.91Å; Y150-R241 HydrophobicContact CE2-CB 3.67Å; Y150-R241 HydrophobicContact CE2-CG 4.2Å; Y150-R241 VanDerWaalsContact CZ-CB 3.47Å; Y150-R241 PolarHBondContact N-O 3.23Å; Y150-R241 PolarHBondContact O-N 3.11Å; Y150-R241 VanDerWaalsContact OH-CD 3.29Å; Y150-R241 WeakPolarHBondContact OH-CD 3.33Å; Y150-Y243 HydrophobicContact CE1-CD2 4.35Å; Y150-D248 VanDerWaalsContact CE1-OD2 3.26Å; Y150-D248 WeakPolarHBondContact CE1-OD2 3.49Å; Y150-D248 WeakPolarHBondContact OH-CB 3.13Å; Y150-D248 PolarHBondContact OH-OD2 3.36Å
151	V	98.6	Very high	90.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	130.6	-170.5	-178.3	0	0	0	0	109.8	F149 E178 T179 T180 V196 W238 G239 L240 F253	F149-V151 HydrophobicContact CD2-CG2 4.03Å; F149-V151 HydrophobicContact CE2-CG2 4.09Å; V151-E178 CarbonylContact O-C 3.43Å; V151-E178 VanDerWaalsContact O-CA 3.27Å; V151-E178 WeakPolarHBondContact O-CA 3.32Å; V151-T179 PolarHBondContact O-N 3.37Å; V151-T179 PolarHBondContact O-OG1 2.87Å; V151-T180 HydrophobicContact CB-CG2 3.73Å; V151-T180 HydrophobicContact CG1-CG2 4.1Å; V151-T180 HydrophobicContact CG2-CG2 4.28Å; V151-T180 PolarHBondContact N-O 3.23Å; V151-T180 PolarHBondContact O-N 2.93Å; V151-V196 HydrophobicContact CG1-CG2 4.48Å; V151-V196 HydrophobicContact CG2-CB 4.12Å; V151-V196 HydrophobicContact CG2-CG1 4.48Å; V151-V196 HydrophobicContact CG2-CG2 4.22Å; V151-W238 HydrophobicContact CG1-CB 3.69Å; V151-W238 HydrophobicContact CG1-CG 4.05Å; V151-G239 CarbonylContact C-O 3.51Å; V151-G239 VanDerWaalsContact CA-O 3.25Å; V151-G239 WeakPolarHBondContact CA-O 3.45Å; V151-L240 HydrophobicContact CG2-CB 4.3Å; V151-L240 HydrophobicContact CG2-CD1 4.08Å; V151-L240 HydrophobicContact CG2-CG 4.07Å; V151-F253 HydrophobicContact CG1-CE1 4.13Å; V151-F253 HydrophobicContact CG1-CZ 4.17Å
152	C	97.9	Very high	89.8	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	138.5	-179.6	-47.3	0	0	0	0	111.7	Y171 C172 C177 W238 G239	C152-Y171 WeakPolarHBondContact CB-O 3.15Å; C152-C172 HydrophobicContact CB-CB 4.07Å; C152-C172 WeakPolarHBondContact CB-SG 3.19Å; C152-C172 WeakPolarHBondContact SG-CA 3.35Å; C152-C172 WeakPolarHBondContact SG-CB 3.29Å; C152-C172 CovalentContact SG-SG 2.02Å; C152-C172 PolarHBondContact SG-SG 3.39Å; C152-C177 HydrophobicContact CB-CB 4.47Å; C152-W238 CarbonylContact O-C 3.34Å; C152-W238 VanDerWaalsContact O-CA 3.25Å; C152-W238 WeakPolarHBondContact O-CA 3.45Å; C152-W238 WeakPolarHBondContact O-CB 3.4Å; C152-G239 PolarHBondContact N-O 3.21Å; C152-G239 PolarHBondContact O-N 3.46Å
153	P	96.9	Very high	89.3	Confident	4 Å²	4	58.6 Å²	58.6	3%	0.026	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	141.3	-178.5	29.3	-31.2	0	0	0	112.3	H156 R157 C177 T179 W191 W238	P153-H156 WeakPolarHBondContact CB-NE2 3.41Å; P153-R157 HydrophobicContact CB-CB 4.4Å; P153-R157 HydrophobicContact CG-CB 4.15Å; P153-R157 PolarHBondContact O-NH1 2.94Å; P153-R157 VanDerWaalsContact O-NH1 3.07Å; P153-C177 WeakPolarHBondContact CD-O 3.28Å; P153-T179 HydrophobicContact CG-CG2 3.76Å; P153-W191 HydrophobicContact CB-CH2 4.12Å; P153-W191 HydrophobicContact CB-CZ3 4.34Å; P153-W191 HydrophobicContact CG-CH2 3.38Å; P153-W191 HydrophobicContact CG-CZ2 4.23Å; P153-W191 HydrophobicContact CG-CZ3 4.06Å; P153-W238 VanDerWaalsContact CA-CD1 3.47Å
154	G	94.3	Very high	89.1	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.277	C	S	.	.			trans	-80.5	-132.7	178	0	0	0	0	0	113.1	H156 R157 W237	G154-H156 VanDerWaalsContact C-N 3.28Å; G154-H156 PolarHBondContact O-N 2.77Å; G154-R157 WeakPolarHBondContact O-CB 3.37Å; G154-R157 WeakPolarHBondContact O-CD 3.47Å; G154-R157 WeakPolarHBondContact O-CG 2.92Å; G154-R157 PolarHBondContact O-N 2.83Å; G154-R157 PolarHBondContact O-NH1 3.22Å; G154-W237 VanDerWaalsContact CA-O 3.29Å; G154-W237 WeakPolarHBondContact CA-O 3.16Å; G154-W237 PolarHBondContact N-O 2.84Å
155	P	90.9	Very high	89.1	Confident	95 Å²	95	56.3 Å²	56.3	62%	0.617	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-21.7	-170.4	-26.3	35.3	0	0	0	116.7	R157	P155-R157 PolarHBondContact O-N 3.28Å
156	H	90.4	Very high	89.4	Confident	30 Å²	30	50.2 Å²	50.2	14%	0.139	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	0.4	-179.3	63.4	-75.3	0	0	0	113.7	P153 G154 D192 Y193 H236 W237 W238	P153-H156 WeakPolarHBondContact CB-NE2 3.41Å; G154-H156 VanDerWaalsContact C-N 3.28Å; G154-H156 PolarHBondContact O-N 2.77Å; H156-D192 IonicContact CD2-OD1 2.93Å; H156-D192 IonicContact CE1-OD1 2.68Å; H156-D192 IonicContact NE2-OD1 3.36Å; H156-D192 PolarHBondContact NE2-OD1 2.71Å; H156-Y193 HydrophobicContact CB-CE2 3.91Å; H156-Y193 AromaticContact CD2-CD2 3.72Å; H156-Y193 AromaticContact CD2-CE2 3.52Å; H156-Y193 AromaticContact CD2-CZ 3.73Å; H156-Y193 AromaticContact CG-CE2 3.82Å; H156-H236 AromaticContact CG-ND1 3.98Å; H156-W237 PolarHBondContact CE1-O 2.9Å; H156-W238 AromaticContact CE1-CE2 3.41Å; H156-W238 VanDerWaalsContact CE1-CE2 3.41Å; H156-W238 AromaticContact CE1-CZ2 3.45Å; H156-W238 VanDerWaalsContact CE1-CZ2 3.45Å; H156-W238 WeakPolarHBondContact CE1-CZ2 3.26Å; H156-W238 AromaticContact CE1-NE1 3.58Å; H156-W238 AromaticContact NE2-CE2 3.61Å; H156-W238 AromaticContact NE2-CZ2 3.45Å; H156-W238 WeakPolarHBondContact NE2-CZ2 3.37Å; H156-W238 AromaticContact NE2-NE1 3.58Å
157	R	88.4	Confident	89.7	Confident	50 Å²	50	46.9 Å²	46.9	19%	0.189	23%	0.233	C	C	.	.	S	Bend	trans	-67	150	177.1	72.5	-172.5	171.3	-122.8	4.2	113	P153 G154 P155 A161 G165 W191	P153-R157 HydrophobicContact CB-CB 4.4Å; P153-R157 HydrophobicContact CG-CB 4.15Å; P153-R157 PolarHBondContact O-NH1 2.94Å; P153-R157 VanDerWaalsContact O-NH1 3.07Å; G154-R157 WeakPolarHBondContact O-CB 3.37Å; G154-R157 WeakPolarHBondContact O-CD 3.47Å; G154-R157 WeakPolarHBondContact O-CG 2.92Å; G154-R157 PolarHBondContact O-N 2.83Å; G154-R157 PolarHBondContact O-NH1 3.22Å; P155-R157 PolarHBondContact O-N 3.28Å; R157-A161 HydrophobicContact CB-CB 4.19Å; R157-A161 WeakPolarHBondContact CD-O 3.15Å; R157-A161 HydrophobicContact CG-CB 4.16Å; R157-A161 PolarHBondContact NE-O 3.12Å; R157-G165 PolarHBondContact NH2-O 3.44Å; R157-W191 HydrophobicContact CB-CH2 3.79Å; R157-W191 HydrophobicContact CB-CZ3 4.21Å
158	P	84.6	Confident	89.7	Confident	37 Å²	37	53.4 Å²	53.4	24%	0.24	26%	0.262	C	S	.	.			trans	-66.5	157.9	176.9	28.5	-35.2	0	0	0	111.8	W160 A161 W191	P158-W160 HydrophobicContact CB-CG 4.44Å; P158-W160 HydrophobicContact CG-CD2 4.09Å; P158-W160 HydrophobicContact CG-CG 4.35Å; P158-W160 HydrophobicContact CG-CZ2 3.58Å; P158-W160 PolarHBondContact O-N 3.33Å; P158-W160 VanDerWaalsContact O-N 3.08Å; P158-A161 HydrophobicContact CG-CB 4.44Å; P158-A161 PolarHBondContact O-N 3.01Å; P158-W191 VanDerWaalsContact CD-CZ2 3.48Å; P158-W191 HydrophobicContact CG-CD2 4.3Å; P158-W191 HydrophobicContact CG-CE3 4.47Å; P158-W191 HydrophobicContact CG-CH2 4.1Å; P158-W191 HydrophobicContact CG-CZ2 3.9Å; P158-W191 HydrophobicContact CG-CZ3 4.41Å
159	R	79.8	Confident	89.6	Confident	202 Å²	202	54.1 Å²	54.1	76%	0.762	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-59	-27.1	-173.5	-64.6	-175.8	-168.5	164.9	3.6	114.3	A161 R162	R159-A161 VanDerWaalsContact C-N 3.26Å; R159-A161 PolarHBondContact O-N 2.9Å; R159-R162 WeakPolarHBondContact O-CD 3.39Å; R159-R162 WeakPolarHBondContact O-CG 3.4Å; R159-R162 PolarHBondContact O-N 3.26Å
160	W	76.2	Confident	89.5	Confident	169 Å²	169	55.6 Å²	55.6	64%	0.64	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-69.8	-24.2	178	61.4	-105.6	0	0	0	112.4	P158 R162 W191	P158-W160 HydrophobicContact CB-CG 4.44Å; P158-W160 HydrophobicContact CG-CD2 4.09Å; P158-W160 HydrophobicContact CG-CG 4.35Å; P158-W160 HydrophobicContact CG-CZ2 3.58Å; P158-W160 PolarHBondContact O-N 3.33Å; P158-W160 VanDerWaalsContact O-N 3.08Å; W160-R162 PolarHBondContact O-N 3.39Å; W160-W191 HydrophobicContact CH2-CZ2 4.25Å; W160-W191 HydrophobicContact CZ2-CZ2 4.08Å; W160-W191 AromaticContact CZ2-NE1 3.68Å
161	A	74.1	Confident	89.4	Confident	4 Å²	4	56.2 Å²	56.2	3%	0.033	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-87	20.3	179.2	0	0	0	0	0	113.1	R157 P158 R159 S163 C164	R157-A161 HydrophobicContact CB-CB 4.19Å; R157-A161 WeakPolarHBondContact CD-O 3.15Å; R157-A161 HydrophobicContact CG-CB 4.16Å; R157-A161 PolarHBondContact NE-O 3.12Å; P158-A161 HydrophobicContact CG-CB 4.44Å; P158-A161 PolarHBondContact O-N 3.01Å; R159-A161 VanDerWaalsContact C-N 3.26Å; R159-A161 PolarHBondContact O-N 2.9Å; A161-S163 VanDerWaalsContact C-N 3.26Å; A161-S163 PolarHBondContact O-N 3.32Å; A161-C164 WeakPolarHBondContact O-CB 3.17Å; A161-C164 PolarHBondContact O-N 3.49Å; A161-C164 PolarHBondContact O-SG 3.11Å
162	R	72.8	Confident	89.3	Confident	179 Å²	179	56.5 Å²	56.5	68%	0.675	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-68.6	-23.2	179.4	-81.1	175.7	178.9	176.7	-2.6	113.5	R159 W160 C164	R159-R162 WeakPolarHBondContact O-CD 3.39Å; R159-R162 WeakPolarHBondContact O-CG 3.4Å; R159-R162 PolarHBondContact O-N 3.26Å; W160-R162 PolarHBondContact O-N 3.39Å; R162-C164 PolarHBondContact O-N 3.02Å
163	S	84.9	Confident	89.2	Confident	92 Å²	92	59 Å²	59	64%	0.643	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-67.8	-9.7	175.9	49.1	0	0	0	0	114	A161 G165	A161-S163 VanDerWaalsContact C-N 3.26Å; A161-S163 PolarHBondContact O-N 3.32Å; S163-G165 PolarHBondContact O-N 3.17Å; S163-G165 VanDerWaalsContact O-N 3.15Å
164	C	90.6	Very high	89	Confident	5 Å²	5	62.1 Å²	62.1	3%	0.034	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-74.9	2.5	-176.6	-64.6	0	0	0	0	115.4	A161 R162 S169 Y171 C172 A173 C177	A161-C164 WeakPolarHBondContact O-CB 3.17Å; A161-C164 PolarHBondContact O-N 3.49Å; A161-C164 PolarHBondContact O-SG 3.11Å; R162-C164 PolarHBondContact O-N 3.02Å; C164-S169 PolarHBondContact O-OG 2.81Å; C164-Y171 WeakPolarHBondContact CB-O 3.43Å; C164-Y171 CarbonylContact O-C 3.52Å; C164-Y171 WeakPolarHBondContact O-CA 3.43Å; C164-Y171 VanDerWaalsContact O-O 3.14Å; C164-C172 PolarHBondContact O-N 3.11Å; C164-A173 VanDerWaalsContact C-CB 3.49Å; C164-A173 VanDerWaalsContact O-CB 3.28Å; C164-A173 WeakPolarHBondContact O-CB 3.49Å; C164-A173 PolarHBondContact O-N 2.95Å; C164-C177 WeakPolarHBondContact CA-SG 3.45Å; C164-C177 HydrophobicContact CB-CB 3.68Å; C164-C177 WeakPolarHBondContact CB-SG 3.38Å; C164-C177 VanDerWaalsContact SG-CA 3.52Å; C164-C177 WeakPolarHBondContact SG-CB 3.26Å; C164-C177 CovalentContact SG-SG 2.03Å; C164-C177 PolarHBondContact SG-SG 3.38Å
165	G	92.3	Very high	88.9	Confident	21 Å²	21	69.2 Å²	69.2	22%	0.216	35%	0.347	C	S	.	.			trans	71.3	-178.5	178.9	0	0	0	0	0	113.8	R157 S163 S169	R157-G165 PolarHBondContact NH2-O 3.44Å; S163-G165 PolarHBondContact O-N 3.17Å; S163-G165 VanDerWaalsContact O-N 3.15Å; G165-S169 WeakPolarHBondContact CA-OG 3.23Å
166	G	93.2	Very high	88.9	Confident	14 Å²	14	67.1 Å²	67.1	14%	0.144	34%	0.343	C	S	.	.			trans	-101.4	-159.2	-177	0	0	0	0	0	113.8	E168 S169 F170 Y171	G166-E168 WeakPolarHBondContact CA-OE1 3.36Å; G166-E168 WeakPolarHBondContact CA-OE2 3.42Å; G166-E168 PolarHBondContact N-OE1 2.89Å; G166-E168 PolarHBondContact O-N 2.93Å; G166-S169 PolarHBondContact N-OG 3.4Å; G166-S169 PolarHBondContact O-N 3.24Å; G166-S169 PolarHBondContact O-OG 3.37Å; G166-S169 VanDerWaalsContact O-OG 3.06Å; G166-F170 PolarHBondContact O-N 2.01Å; G166-Y171 WeakPolarHBondContact O-CD1 3.2Å; G166-Y171 PolarHBondContact O-N 2.82Å
167	P	92.7	Very high	89.2	Confident	67 Å²	67	66.2 Å²	66.2	44%	0.435	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-54.1	-33.4	175.3	-27.9	37.1	0	0	0	114.3	S169 F170 Y171 I252	P167-S169 VanDerWaalsContact C-N 3.25Å; P167-S169 PolarHBondContact O-N 2.91Å; P167-F170 WeakPolarHBondContact O-CD1 3.41Å; P167-F170 PolarHBondContact O-N 3Å; P167-Y171 HydrophobicContact CG-CE1 4.07Å; P167-I252 HydrophobicContact CB-CD1 3.51Å; P167-I252 HydrophobicContact CG-CD1 4.42Å
168	E	92.3	Very high	89.5	Confident	142 Å²	142	65 Å²	65	66%	0.664	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-62.5	-30.6	179.3	71.8	-67.4	161.1	0	0	113.3	G166	G166-E168 WeakPolarHBondContact CA-OE1 3.36Å; G166-E168 WeakPolarHBondContact CA-OE2 3.42Å; G166-E168 PolarHBondContact N-OE1 2.89Å; G166-E168 PolarHBondContact O-N 2.93Å
169	S	94.2	Very high	90.2	Very high	15 Å²	15	63.7 Å²	63.7	11%	0.105	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-98	9.5	173.7	65.7	0	0	0	0	112.3	C164 G165 G166 P167 Y171 C172 R241	C164-S169 PolarHBondContact O-OG 2.81Å; G165-S169 WeakPolarHBondContact CA-OG 3.23Å; G166-S169 PolarHBondContact N-OG 3.4Å; G166-S169 PolarHBondContact O-N 3.24Å; G166-S169 PolarHBondContact O-OG 3.37Å; G166-S169 VanDerWaalsContact O-OG 3.06Å; P167-S169 VanDerWaalsContact C-N 3.25Å; P167-S169 PolarHBondContact O-N 2.91Å; S169-Y171 PolarHBondContact O-N 2.81Å; S169-Y171 VanDerWaalsContact O-N 3.16Å; S169-C172 PolarHBondContact O-N 3.22Å; S169-R241 VanDerWaalsContact CA-NH2 3.32Å; S169-R241 PolarHBondContact O-NE 2.98Å; S169-R241 PolarHBondContact O-NH2 2.8Å
170	F	96.7	Very high	91	Very high	31 Å²	31	54.4 Å²	54.4	14%	0.136	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.7	35.3	-169	-45.1	-57.1	0	0	0	111.4	P84 G166 P167 C172 G239 R241 G250 I252	P84-F170 HydrophobicContact CG-CE1 4.24Å; P84-F170 HydrophobicContact CG-CZ 4.42Å; G166-F170 PolarHBondContact O-N 2.01Å; P167-F170 WeakPolarHBondContact O-CD1 3.41Å; P167-F170 PolarHBondContact O-N 3Å; F170-C172 PolarHBondContact O-N 3.05Å; F170-C172 PolarHBondContact O-SG 3.4Å; F170-C172 VanDerWaalsContact O-SG 3.34Å; F170-G239 VanDerWaalsContact O-CA 3.28Å; F170-G239 WeakPolarHBondContact O-CA 3.17Å; F170-R241 HydrophobicContact CB-CG 4.24Å; F170-R241 HydrophobicContact CD2-CG 3.88Å; F170-R241 HydrophobicContact CG-CG 4.5Å; F170-G250 VanDerWaalsContact CE2-CA 3.47Å; F170-G250 WeakPolarHBondContact CZ-O 3.26Å; F170-I252 HydrophobicContact CD1-CD1 4.47Å; F170-I252 HydrophobicContact CD1-CG1 3.99Å
171	Y	96.6	Very high	92	Very high	24 Å²	24	47 Å²	47	9%	0.094	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	14.9	-174.1	-45.5	-62.2	0	0	0	115.5	C152 C164 G166 P167 S169 I252	C152-Y171 WeakPolarHBondContact CB-O 3.15Å; C164-Y171 WeakPolarHBondContact CB-O 3.43Å; C164-Y171 CarbonylContact O-C 3.52Å; C164-Y171 WeakPolarHBondContact O-CA 3.43Å; C164-Y171 VanDerWaalsContact O-O 3.14Å; G166-Y171 WeakPolarHBondContact O-CD1 3.2Å; G166-Y171 PolarHBondContact O-N 2.82Å; P167-Y171 HydrophobicContact CG-CE1 4.07Å; S169-Y171 PolarHBondContact O-N 2.81Å; S169-Y171 VanDerWaalsContact O-N 3.16Å; Y171-I252 HydrophobicContact CE2-CD1 4.16Å; Y171-I252 HydrophobicContact CE2-CG1 4.37Å; Y171-I252 HydrophobicContact CE2-CG2 4.23Å
172	C	96	Very high	93	Very high	6 Å²	6	50.8 Å²	50.8	4%	0.041	28%	0.282	C	S	.	.			trans	-120.7	49.1	-176	-63.1	0	0	0	0	111.2	Y150 C152 C164 S169 F170 S174 R241	Y150-C172 HydrophobicContact CD2-CB 4.46Å; Y150-C172 HydrophobicContact CE2-CB 3.86Å; C152-C172 HydrophobicContact CB-CB 4.07Å; C152-C172 WeakPolarHBondContact CB-SG 3.19Å; C152-C172 WeakPolarHBondContact SG-CA 3.35Å; C152-C172 WeakPolarHBondContact SG-CB 3.29Å; C152-C172 CovalentContact SG-SG 2.02Å; C152-C172 PolarHBondContact SG-SG 3.39Å; C164-C172 PolarHBondContact O-N 3.11Å; S169-C172 PolarHBondContact O-N 3.22Å; F170-C172 PolarHBondContact O-N 3.05Å; F170-C172 PolarHBondContact O-SG 3.4Å; F170-C172 VanDerWaalsContact O-SG 3.34Å; C172-S174 PolarHBondContact O-N 3.33Å; C172-R241 HydrophobicContact CB-CG 4.35Å
173	A	94.6	Very high	94	Very high	52 Å²	52	42.8 Å²	42.8	43%	0.43	26%	0.255	S	S	.	.	S	Bend	trans	-68.1	-19.2	-177.4	0	0	0	0	0	114	C164	C164-A173 VanDerWaalsContact C-CB 3.49Å; C164-A173 VanDerWaalsContact O-CB 3.28Å; C164-A173 WeakPolarHBondContact O-CB 3.49Å; C164-A173 PolarHBondContact O-N 2.95Å
174	S	92.6	Very high	94.4	Very high	69 Å²	69	41.3 Å²	41.3	48%	0.483	24%	0.244	S	C	.	.	S	Bend	trans	-152.8	156.4	-176.7	-60.6	0	0	0	0	111.1	C172 C177	C172-S174 PolarHBondContact O-N 3.33Å; S174-C177 WeakPolarHBondContact O-CB 3.47Å; S174-C177 PolarHBondContact O-N 3.01Å; S174-C177 PolarHBondContact O-SG 3.41Å
175	W	93.1	Very high	94.5	Very high	150 Å²	150	45.4 Å²	45.4	57%	0.568	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	145.3	172.3	-64.8	125.4	0	0	0	111.9	Y150 C177 W185 Y243	Y150-W175 HydrophobicContact CD1-CH2 4.17Å; Y150-W175 AromaticContact CD1-CZ3 3.99Å; Y150-W175 HydrophobicContact CD1-CZ3 3.99Å; Y150-W175 HydrophobicContact CD2-CZ3 4.15Å; Y150-W175 AromaticContact CE1-CH2 3.65Å; Y150-W175 HydrophobicContact CE1-CH2 3.65Å; Y150-W175 AromaticContact CE1-CZ3 3.81Å; Y150-W175 HydrophobicContact CE1-CZ3 3.81Å; Y150-W175 HydrophobicContact CE2-CH2 4.41Å; Y150-W175 AromaticContact CE2-CZ3 3.94Å; Y150-W175 HydrophobicContact CE2-CZ3 3.94Å; Y150-W175 HydrophobicContact CG-CZ3 4.16Å; Y150-W175 AromaticContact CZ-CH2 3.78Å; Y150-W175 AromaticContact CZ-CZ3 3.77Å; W175-C177 VanDerWaalsContact C-N 3.3Å; W175-W185 HydrophobicContact CE3-CZ2 4.19Å; W175-W185 AromaticContact CH2-CH2 3.9Å; W175-W185 HydrophobicContact CH2-CH2 3.9Å; W175-W185 HydrophobicContact CH2-CZ2 4.02Å; W175-W185 AromaticContact CZ3-CH2 3.91Å; W175-W185 HydrophobicContact CZ3-CH2 3.91Å; W175-W185 AromaticContact CZ3-CZ2 3.52Å; W175-W185 HydrophobicContact CZ3-CZ2 3.52Å; W175-Y243 AromaticContact CH2-CD2 3.92Å; W175-Y243 HydrophobicContact CH2-CD2 3.92Å; W175-Y243 HydrophobicContact CH2-CE2 4.01Å; W175-Y243 HydrophobicContact CZ2-CD2 4.36Å; W175-Y243 HydrophobicContact CZ2-CE2 4.03Å
176	G	91.1	Very high	94.6	Very high	51 Å²	51	52.5 Å²	52.5	53%	0.526	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	-2.7	-171.6	0	0	0	0	0	113.7	E178	G176-E178 PolarHBondContact N-OE2 2.97Å
177	C	95.5	Very high	94.7	Very high	10 Å²	10	52.6 Å²	52.6	7%	0.068	28%	0.282	C	S	.	.			trans	-81.1	-28.1	169.2	-68.5	0	0	0	0	112.2	C152 P153 C164 S174 W175	C152-C177 HydrophobicContact CB-CB 4.47Å; P153-C177 WeakPolarHBondContact CD-O 3.28Å; C164-C177 WeakPolarHBondContact CA-SG 3.45Å; C164-C177 HydrophobicContact CB-CB 3.68Å; C164-C177 WeakPolarHBondContact CB-SG 3.38Å; C164-C177 VanDerWaalsContact SG-CA 3.52Å; C164-C177 WeakPolarHBondContact SG-CB 3.26Å; C164-C177 CovalentContact SG-SG 2.03Å; C164-C177 PolarHBondContact SG-SG 3.38Å; S174-C177 WeakPolarHBondContact O-CB 3.47Å; S174-C177 PolarHBondContact O-N 3.01Å; S174-C177 PolarHBondContact O-SG 3.41Å; W175-C177 VanDerWaalsContact C-N 3.3Å
178	E	96.7	Very high	94.8	Very high	25 Å²	25	54.4 Å²	54.4	12%	0.117	30%	0.296	C	S	.	.			trans	-70.9	138.4	178.8	75.4	-73.2	-179.8	0	0	111.7	Y150 V151 G176 W185 P187	Y150-E178 HydrophobicContact CD2-CB 3.99Å; Y150-E178 HydrophobicContact CG-CB 4.39Å; V151-E178 CarbonylContact O-C 3.43Å; V151-E178 VanDerWaalsContact O-CA 3.27Å; V151-E178 WeakPolarHBondContact O-CA 3.32Å; G176-E178 PolarHBondContact N-OE2 2.97Å; E178-W185 PolarHBondContact OE1-NE1 3.31Å; E178-P187 HydrophobicContact CB-CB 4.41Å; E178-P187 HydrophobicContact CG-CB 3.51Å; E178-P187 HydrophobicContact CG-CG 4.05Å
179	T	97.4	Very high	94.8	Very high	9 Å²	9	49.5 Å²	49.5	6%	0.055	28%	0.277	C	S	.	.			trans	-118	-16	-177.2	50	0	0	0	0	112.4	V151 P153 S188 S189 W191 D192	V151-T179 PolarHBondContact O-N 3.37Å; V151-T179 PolarHBondContact O-OG1 2.87Å; P153-T179 HydrophobicContact CG-CG2 3.76Å; T179-S188 CarbonylContact O-C 3.51Å; T179-S188 VanDerWaalsContact O-C 3.23Å; T179-S188 WeakPolarHBondContact O-CA 3.5Å; T179-S188 PolarHBondContact O-N 3.4Å; T179-S189 PolarHBondContact O-N 3.21Å; T179-W191 HydrophobicContact CG2-CH2 4.21Å; T179-W191 HydrophobicContact CG2-CZ2 3.89Å; T179-D192 VanDerWaalsContact CB-OD2 3.32Å; T179-D192 WeakPolarHBondContact CB-OD2 3.33Å; T179-D192 HydrophobicContact CG2-CB 4.05Å; T179-D192 PolarHBondContact OG1-OD2 3.05Å
180	T	98.3	Very high	94.7	Very high	7 Å²	7	54.1 Å²	54.1	4%	0.043	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	-177	178	-165.4	0	0	0	0	111	V151 P187 T195 V196	V151-T180 HydrophobicContact CB-CG2 3.73Å; V151-T180 HydrophobicContact CG1-CG2 4.1Å; V151-T180 HydrophobicContact CG2-CG2 4.28Å; V151-T180 PolarHBondContact N-O 3.23Å; V151-T180 PolarHBondContact O-N 2.93Å; T180-P187 WeakPolarHBondContact CA-O 3.49Å; T180-P187 WeakPolarHBondContact O-CG 3.39Å; T180-T195 VanDerWaalsContact OG1-CA 3.24Å; T180-T195 WeakPolarHBondContact OG1-CA 3.31Å; T180-V196 HydrophobicContact CG2-CB 4.07Å; T180-V196 HydrophobicContact CG2-CG2 3.83Å; T180-V196 PolarHBondContact OG1-N 3.32Å
181	G	96.6	Very high	94.4	Very high	13 Å²	13	54.9 Å²	54.9	13%	0.134	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	124.1	177.5	-176	0	0	0	0	0	112	F149 V196	F149-G181 CarbonylContact O-C 3.57Å; F149-G181 WeakPolarHBondContact O-CA 3.31Å; G181-V196 CarbonylContact C-O 3.38Å; G181-V196 VanDerWaalsContact CA-O 3.31Å; G181-V196 WeakPolarHBondContact CA-O 3.36Å; G181-V196 PolarHBondContact N-O 2.93Å
182	R	95.4	Very high	94.4	Very high	85 Å²	85	53.8 Å²	53.8	32%	0.321	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	97	177.1	-175.5	-113.2	-179.8	97.4	2.7	108.9	T142 H143 G148 F149 N198	T142-R182 WeakPolarHBondContact O-CD 3.44Å; T142-R182 PolarHBondContact O-NE 3.28Å; T142-R182 VanDerWaalsContact O-NE 3.15Å; T142-R182 PolarHBondContact O-NH1 2.96Å; H143-R182 PolarHBondContact CD2-NH1 3.38Å; H143-R182 PolarHBondContact NE2-NH1 3.29Å; H143-R182 PolarHBondContact O-NH2 3.02Å; G148-R182 CarbonylContact C-O 3.56Å; G148-R182 WeakPolarHBondContact CA-O 3.41Å; F149-R182 HydrophobicContact CD1-CB 4.22Å; F149-R182 HydrophobicContact CE1-CB 3.68Å; F149-R182 HydrophobicContact CZ-CB 4.06Å; F149-R182 PolarHBondContact N-O 3.22Å; F149-R182 CarbonylContact O-C 3.23Å; F149-R182 PolarHBondContact O-N 3.4Å; R182-N198 PolarHBondContact NH1-ND2 3.34Å
183	A	93.4	Very high	94.5	Very high	11 Å²	11	54.9 Å²	54.9	9%	0.091	31%	0.311	C	S	.	.	S	Bend	trans	-141.1	163.4	175.6	0	0	0	0	0	110	W185 K186	A183-W185 HydrophobicContact CB-CD2 3.86Å; A183-W185 HydrophobicContact CB-CE3 3.75Å; A183-W185 HydrophobicContact CB-CH2 3.62Å; A183-W185 HydrophobicContact CB-CZ2 3.73Å; A183-W185 HydrophobicContact CB-CZ3 3.64Å; A183-W185 PolarHBondContact O-N 3.43Å; A183-K186 PolarHBondContact O-N 2.98Å
184	S	92.3	Very high	94.7	Very high	60 Å²	60	52.5 Å²	52.5	42%	0.42	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-32.7	-176.3	55.8	0	0	0	0	113.6	H145 K186	H145-S184 WeakPolarHBondContact O-CB 3.45Å; S184-K186 VanDerWaalsContact C-N 3.32Å; S184-K186 PolarHBondContact O-N 3.16Å
185	W	93.3	Very high	94.9	Very high	91 Å²	91	52.2 Å²	52.2	35%	0.345	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-0.4	178.6	65.4	97.6	0	0	0	114.6	Y150 W175 E178 A183 Y243	Y150-W185 HydrophobicContact CD1-CH2 4.39Å; Y150-W185 HydrophobicContact CD1-CZ2 4.28Å; Y150-W185 HydrophobicContact CG-CZ2 4.48Å; W175-W185 HydrophobicContact CE3-CZ2 4.19Å; W175-W185 AromaticContact CH2-CH2 3.9Å; W175-W185 HydrophobicContact CH2-CH2 3.9Å; W175-W185 HydrophobicContact CH2-CZ2 4.02Å; W175-W185 AromaticContact CZ3-CH2 3.91Å; W175-W185 HydrophobicContact CZ3-CH2 3.91Å; W175-W185 AromaticContact CZ3-CZ2 3.52Å; W175-W185 HydrophobicContact CZ3-CZ2 3.52Å; E178-W185 PolarHBondContact OE1-NE1 3.31Å; A183-W185 HydrophobicContact CB-CD2 3.86Å; A183-W185 HydrophobicContact CB-CE3 3.75Å; A183-W185 HydrophobicContact CB-CH2 3.62Å; A183-W185 HydrophobicContact CB-CZ2 3.73Å; A183-W185 HydrophobicContact CB-CZ3 3.64Å; A183-W185 PolarHBondContact O-N 3.43Å; W185-Y243 AromaticContact CH2-CD1 3.97Å; W185-Y243 HydrophobicContact CH2-CD1 3.97Å; W185-Y243 AromaticContact CH2-CD2 3.97Å; W185-Y243 HydrophobicContact CH2-CD2 3.97Å; W185-Y243 HydrophobicContact CH2-CE1 4.2Å; W185-Y243 HydrophobicContact CH2-CE2 4.17Å; W185-Y243 AromaticContact CH2-CG 3.86Å; W185-Y243 HydrophobicContact CH2-CG 3.86Å; W185-Y243 AromaticContact CZ3-CD1 3.77Å; W185-Y243 HydrophobicContact CZ3-CD1 3.77Å; W185-Y243 HydrophobicContact CZ3-CD2 4.41Å; W185-Y243 AromaticContact CZ3-CE1 3.68Å; W185-Y243 HydrophobicContact CZ3-CE1 3.68Å; W185-Y243 HydrophobicContact CZ3-CE2 4.31Å; W185-Y243 HydrophobicContact CZ3-CG 4.15Å; W185-Y243 AromaticContact CZ3-CZ 3.95Å
186	K	95.3	Very high	95.2	Very high	170 Å²	170	45.3 Å²	45.3	74%	0.739	26%	0.261	S	S	*	.			trans	47.8	65.7	173.4	-60.1	178.8	-177.5	177.1	0	113.4	A183 S184 S188	A183-K186 PolarHBondContact O-N 2.98Å; S184-K186 VanDerWaalsContact C-N 3.32Å; S184-K186 PolarHBondContact O-N 3.16Å; K186-S188 PolarHBondContact O-N 3.47Å
187	P	95.3	Very high	95.4	Very high	16 Å²	16	45.1 Å²	45.1	10%	0.104	25%	0.252	C	S	.	.			trans	-58.3	137.9	-179.8	26.7	-35.5	0	0	0	111.5	E178 T180	E178-P187 HydrophobicContact CB-CB 4.41Å; E178-P187 HydrophobicContact CG-CB 3.51Å; E178-P187 HydrophobicContact CG-CG 4.05Å; T180-P187 WeakPolarHBondContact CA-O 3.49Å; T180-P187 WeakPolarHBondContact O-CG 3.39Å
188	S	94.1	Very high	95.4	Very high	106 Å²	106	45.8 Å²	45.8	74%	0.741	25%	0.254	S	S	*	.			trans	-147.7	158.1	-179	64	0	0	0	0	111.1	T179 K186	T179-S188 CarbonylContact O-C 3.51Å; T179-S188 VanDerWaalsContact O-C 3.23Å; T179-S188 WeakPolarHBondContact O-CA 3.5Å; T179-S188 PolarHBondContact O-N 3.4Å; K186-S188 PolarHBondContact O-N 3.47Å
189	S	93.1	Very high	95.1	Very high	38 Å²	38	48 Å²	48	27%	0.266	27%	0.267	S	S	.	.			trans	-141.8	145.2	-179.6	175.8	0	0	0	0	111.3	T179 W191 D192	T179-S189 PolarHBondContact O-N 3.21Å; S189-W191 PolarHBondContact OG-N 2.98Å; S189-W191 PolarHBondContact OG-NE1 3.45Å; S189-W191 VanDerWaalsContact OG-NE1 3.15Å; S189-D192 PolarHBondContact OG-N 2.95Å; S189-D192 VanDerWaalsContact OG-N 3.12Å
190	S	90.7	Very high	94.5	Very high	112 Å²	112	49.8 Å²	49.8	78%	0.783	28%	0.276	S	S	*	.	S	Bend	trans	-87	-7.3	174.1	57.3	0	0	0	0	113.8
191	W	91.8	Very high	94.1	Very high	47 Å²	47	52.7 Å²	52.7	18%	0.178	29%	0.294	C	S	.	.	S	Bend	trans	-129.4	-18.3	-170.9	62.4	-94.8	0	0	0	114.2	P153 R157 P158 W160 T179 S189 F225	P153-W191 HydrophobicContact CB-CH2 4.12Å; P153-W191 HydrophobicContact CB-CZ3 4.34Å; P153-W191 HydrophobicContact CG-CH2 3.38Å; P153-W191 HydrophobicContact CG-CZ2 4.23Å; P153-W191 HydrophobicContact CG-CZ3 4.06Å; R157-W191 HydrophobicContact CB-CH2 3.79Å; R157-W191 HydrophobicContact CB-CZ3 4.21Å; P158-W191 VanDerWaalsContact CD-CZ2 3.48Å; P158-W191 HydrophobicContact CG-CD2 4.3Å; P158-W191 HydrophobicContact CG-CE3 4.47Å; P158-W191 HydrophobicContact CG-CH2 4.1Å; P158-W191 HydrophobicContact CG-CZ2 3.9Å; P158-W191 HydrophobicContact CG-CZ3 4.41Å; W160-W191 HydrophobicContact CH2-CZ2 4.25Å; W160-W191 HydrophobicContact CZ2-CZ2 4.08Å; W160-W191 AromaticContact CZ2-NE1 3.68Å; T179-W191 HydrophobicContact CG2-CH2 4.21Å; T179-W191 HydrophobicContact CG2-CZ2 3.89Å; S189-W191 PolarHBondContact OG-N 2.98Å; S189-W191 PolarHBondContact OG-NE1 3.45Å; S189-W191 VanDerWaalsContact OG-NE1 3.15Å; W191-F225 WeakPolarHBondContact O-CD1 3.45Å; W191-F225 WeakPolarHBondContact O-CE1 3.18Å
192	D	96.1	Very high	93.6	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.011	30%	0.297	C	S	.	.			trans	-74.9	157.3	179.2	-161.5	9.6	0	0	0	111.2	H156 T179 S189 T223 W238	H156-D192 IonicContact CD2-OD1 2.93Å; H156-D192 IonicContact CE1-OD1 2.68Å; H156-D192 IonicContact NE2-OD1 3.36Å; H156-D192 PolarHBondContact NE2-OD1 2.71Å; T179-D192 VanDerWaalsContact CB-OD2 3.32Å; T179-D192 WeakPolarHBondContact CB-OD2 3.33Å; T179-D192 HydrophobicContact CG2-CB 4.05Å; T179-D192 PolarHBondContact OG1-OD2 3.05Å; S189-D192 PolarHBondContact OG-N 2.95Å; S189-D192 VanDerWaalsContact OG-N 3.12Å; D192-T223 WeakPolarHBondContact O-CB 3.3Å; D192-T223 WeakPolarHBondContact O-CG2 3.46Å; D192-T223 PolarHBondContact O-OG1 2.91Å; D192-W238 PolarHBondContact OD1-NE1 3.33Å; D192-W238 PolarHBondContact OD2-NE1 3.31Å; D192-W238 VanDerWaalsContact OD2-NE1 3.12Å
193	Y	97.7	Very high	93.2	Very high	29 Å²	29	55.9 Å²	55.9	11%	0.114	32%	0.317	C	S	.	.	S	Bend	trans	-87.3	-18.6	-164.6	-56.1	-14.2	0	0	0	113.8	H156 T223 F225 A229 W232 H236 W238	H156-Y193 HydrophobicContact CB-CE2 3.91Å; H156-Y193 AromaticContact CD2-CD2 3.72Å; H156-Y193 AromaticContact CD2-CE2 3.52Å; H156-Y193 AromaticContact CD2-CZ 3.73Å; H156-Y193 AromaticContact CG-CE2 3.82Å; Y193-T223 WeakPolarHBondContact CA-OG1 3.49Å; Y193-T223 PolarHBondContact O-N 3.31Å; Y193-T223 PolarHBondContact O-OG1 3.01Å; Y193-F225 AromaticContact CD1-CD1 3.8Å; Y193-F225 HydrophobicContact CD1-CD1 3.8Å; Y193-F225 HydrophobicContact CD1-CE1 4.37Å; Y193-F225 AromaticContact CE1-CD1 3.61Å; Y193-F225 HydrophobicContact CE1-CD1 3.61Å; Y193-F225 AromaticContact CE1-CE1 3.71Å; Y193-F225 HydrophobicContact CE1-CE1 3.71Å; Y193-A229 HydrophobicContact CE2-CB 4.29Å; Y193-W232 HydrophobicContact CD2-CH2 4.07Å; Y193-W232 HydrophobicContact CD2-CZ2 4.04Å; Y193-W232 HydrophobicContact CG-CH2 4.31Å; Y193-W232 HydrophobicContact CG-CZ2 4.15Å; Y193-H236 HydrophobicContact CD2-CB 4.42Å; Y193-H236 AromaticContact CD2-CD2 3.68Å; Y193-H236 AromaticContact CD2-CG 3.89Å; Y193-H236 AromaticContact CE2-CD2 3.61Å; Y193-H236 AromaticContact CE2-CE1 3.67Å; Y193-H236 AromaticContact CE2-CG 3.79Å; Y193-H236 AromaticContact CE2-ND1 3.81Å; Y193-H236 AromaticContact CE2-NE2 3.54Å; Y193-W238 HydrophobicContact CD2-CZ2 4.37Å
194	I	98.3	Very high	93.1	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.01	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	158.9	-174.9	64	175.9	0	0	0	112.6	V196 I220 R221 F222 W232 W238 F253 I255	I194-V196 HydrophobicContact CD1-CG2 3.93Å; I194-V196 HydrophobicContact CG1-CG2 4.36Å; I194-I220 HydrophobicContact CB-CG2 3.82Å; I194-I220 HydrophobicContact CD1-CG2 3.83Å; I194-I220 HydrophobicContact CG1-CG2 4.36Å; I194-I220 HydrophobicContact CG2-CG2 3.91Å; I194-R221 CarbonylContact C-O 3.53Å; I194-R221 WeakPolarHBondContact CA-O 2.9Å; I194-F222 HydrophobicContact CG2-CD1 4.4Å; I194-W232 HydrophobicContact CG2-CH2 4.09Å; I194-W238 HydrophobicContact CD1-CD2 3.55Å; I194-W238 HydrophobicContact CD1-CE3 3.82Å; I194-W238 HydrophobicContact CD1-CG 4.05Å; I194-W238 HydrophobicContact CD1-CH2 4.1Å; I194-W238 HydrophobicContact CD1-CZ2 3.85Å; I194-W238 HydrophobicContact CD1-CZ3 4.08Å; I194-W238 HydrophobicContact CG1-CD2 4.22Å; I194-W238 HydrophobicContact CG1-CH2 4.39Å; I194-W238 HydrophobicContact CG1-CZ2 3.8Å; I194-W238 HydrophobicContact CG2-CH2 4.27Å; I194-W238 HydrophobicContact CG2-CZ2 4.29Å; I194-F253 HydrophobicContact CD1-CE2 4.14Å; I194-F253 HydrophobicContact CD1-CZ 4.14Å; I194-I255 HydrophobicContact CD1-CD1 3.83Å; I194-I255 HydrophobicContact CG2-CD1 3.98Å
195	T	98.2	Very high	92.9	Very high	63 Å²	63	57.5 Å²	57.5	39%	0.387	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	143.8	159.7	58.3	0	0	0	0	109.8	T180 I220 R221 T223	T180-T195 VanDerWaalsContact OG1-CA 3.24Å; T180-T195 WeakPolarHBondContact OG1-CA 3.31Å; T195-I220 CarbonylContact O-C 3.34Å; T195-I220 WeakPolarHBondContact O-CA 3.34Å; T195-R221 PolarHBondContact N-O 3.3Å; T195-R221 PolarHBondContact O-N 3.5Å; T195-T223 HydrophobicContact CG2-CG2 4.03Å
196	V	98.3	Very high	92.8	Very high	4 Å²	4	55 Å²	55	2%	0.024	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	130.2	-179.2	-171.4	0	0	0	0	110.6	F149 V151 T180 G181 I194 L218 T219 I220 F253	F149-V196 HydrophobicContact CE2-CB 4.28Å; F149-V196 HydrophobicContact CE2-CG1 3.73Å; F149-V196 HydrophobicContact CZ-CG1 4.09Å; V151-V196 HydrophobicContact CG1-CG2 4.48Å; V151-V196 HydrophobicContact CG2-CB 4.12Å; V151-V196 HydrophobicContact CG2-CG1 4.48Å; V151-V196 HydrophobicContact CG2-CG2 4.22Å; T180-V196 HydrophobicContact CG2-CB 4.07Å; T180-V196 HydrophobicContact CG2-CG2 3.83Å; T180-V196 PolarHBondContact OG1-N 3.32Å; G181-V196 CarbonylContact C-O 3.38Å; G181-V196 VanDerWaalsContact CA-O 3.31Å; G181-V196 WeakPolarHBondContact CA-O 3.36Å; G181-V196 PolarHBondContact N-O 2.93Å; I194-V196 HydrophobicContact CD1-CG2 3.93Å; I194-V196 HydrophobicContact CG1-CG2 4.36Å; V196-L218 HydrophobicContact CG1-CB 4.41Å; V196-L218 HydrophobicContact CG1-CD1 4.33Å; V196-L218 HydrophobicContact CG1-CD2 4.39Å; V196-T219 WeakPolarHBondContact CA-O 3.49Å; V196-I220 HydrophobicContact CG1-CG1 4.24Å; V196-I220 HydrophobicContact CG2-CG1 4.19Å; V196-I220 HydrophobicContact CG2-CG2 4.32Å; V196-F253 HydrophobicContact CG2-CZ 4.39Å
197	S	96.2	Very high	92.4	Very high	48 Å²	48	50.8 Å²	50.8	34%	0.336	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	176.3	173.3	65.5	0	0	0	0	111.2	L218 T219	S197-L218 CarbonylContact O-C 3.59Å; S197-L218 WeakPolarHBondContact O-CA 3.39Å; S197-T219 PolarHBondContact N-O 3.3Å; S197-T219 PolarHBondContact O-N 3.07Å
198	N	94.2	Very high	92.1	Very high	23 Å²	23	51.9 Å²	51.9	12%	0.123	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	144.4	164.9	-67.9	-17.7	0	0	0	109.6	T142 H143 F149 R182	T142-N198 PolarHBondContact O-ND2 3.06Å; T142-N198 PolarHBondContact OG1-ND2 2.88Å; H143-N198 PolarHBondContact CE1-ND2 2.91Å; H143-N198 PolarHBondContact ND1-ND2 3.46Å; H143-N198 PolarHBondContact NE2-ND2 3.47Å; F149-N198 WeakPolarHBondContact CE1-OD1 3.05Å; R182-N198 PolarHBondContact NH1-ND2 3.34Å
199	N	92	Very high	91.8	Very high	71 Å²	71	46.9 Å²	46.9	38%	0.38	27%	0.272	S	S	.	.	S	Bend	trans	-86.3	-43	175.4	-171.5	31.5	0	0	0	112.2	S217 T219	N199-S217 WeakPolarHBondContact CB-O 3.31Å; N199-S217 WeakPolarHBondContact CB-OG 3.3Å; N199-S217 PolarHBondContact N-O 3.25Å; N199-S217 PolarHBondContact ND2-OG 3.14Å; N199-S217 VanDerWaalsContact ND2-OG 3.09Å; N199-T219 WeakPolarHBondContact CA-OG1 3.3Å; N199-T219 WeakPolarHBondContact CB-OG1 3.39Å; N199-T219 PolarHBondContact OD1-OG1 2.91Å; N199-T219 VanDerWaalsContact OD1-OG1 3.14Å
200	L	84.8	Confident	91.6	Very high	48 Å²	48	48 Å²	48	25%	0.251	27%	0.272	S	S	.	.	S	Bend	trans	-98.6	149.5	179.5	-59.1	179.5	0	0	0	110.5	H143 Q204 A205	H143-L200 PolarHBondContact CE1-O 3.11Å; H143-L200 VanDerWaalsContact CE1-O 3.29Å; H143-L200 PolarHBondContact NE2-O 3.24Å; L200-Q204 HydrophobicContact CB-CB 4.17Å; L200-Q204 HydrophobicContact CD2-CB 4.4Å; L200-A205 HydrophobicContact CB-CB 4.29Å; L200-A205 HydrophobicContact CD1-CB 4.44Å
201	T	88.9	Confident	91.3	Very high	67 Å²	67	45.1 Å²	45.1	41%	0.411	26%	0.259	S	S	.	.			trans	-73	163	163.7	68.4	0	0	0	0	110.6	D203 Q204 A205	T201-D203 PolarHBondContact O-N 2.94Å; T201-Q204 PolarHBondContact O-N 2.68Å; T201-Q204 WeakPolarHBondContact OG1-CG 3.21Å; T201-Q204 PolarHBondContact OG1-N 2.89Å; T201-Q204 PolarHBondContact OG1-OE1 3.43Å; T201-A205 WeakPolarHBondContact O-CB 3.35Å; T201-A205 PolarHBondContact O-N 2.95Å
202	S	85.6	Confident	91.1	Very high	30 Å²	30	44.3 Å²	44.3	21%	0.21	26%	0.259	C	S	.	.	H	α-helix	trans	-57.3	-36.9	177	-173.2	0	0	0	0	112.2	H143 T206	H143-S202 PolarHBondContact NE2-N 3.39Å; S202-T206 PolarHBondContact O-N 3.39Å; S202-T206 VanDerWaalsContact O-N 3.14Å; S202-T206 PolarHBondContact O-OG1 2.87Å
203	D	87.6	Confident	90.7	Very high	136 Å²	136	50 Å²	50	73%	0.727	29%	0.285	S	S	*	.	H	α-helix	trans	-71.4	-37.2	-179.3	-58.9	-33.5	0	0	0	111.6	T201 P207	T201-D203 PolarHBondContact O-N 2.94Å; D203-P207 WeakPolarHBondContact O-CD 3.48Å
204	Q	90.8	Very high	90.3	Very high	104 Å²	104	50.6 Å²	50.6	49%	0.486	29%	0.287	S	S	.	.	H	α-helix	trans	-70.8	-37.4	174.9	-70.8	169.5	-18.5	0	0	112.4	L200 T201 P207	L200-Q204 HydrophobicContact CB-CB 4.17Å; L200-Q204 HydrophobicContact CD2-CB 4.4Å; T201-Q204 PolarHBondContact O-N 2.68Å; T201-Q204 WeakPolarHBondContact OG1-CG 3.21Å; T201-Q204 PolarHBondContact OG1-N 2.89Å; T201-Q204 PolarHBondContact OG1-OE1 3.43Å; Q204-P207 WeakPolarHBondContact O-CD 3.38Å; Q204-P207 WeakPolarHBondContact O-CG 3.06Å
205	A	89.1	Confident	89.9	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-71.6	-30.8	-179.7	0	0	0	0	0	113	S139 L200 T201 V208 C209 C215	S139-A205 WeakPolarHBondContact OG-CB 3.29Å; L200-A205 HydrophobicContact CB-CB 4.29Å; L200-A205 HydrophobicContact CD1-CB 4.44Å; T201-A205 WeakPolarHBondContact O-CB 3.35Å; T201-A205 PolarHBondContact O-N 2.95Å; A205-V208 WeakPolarHBondContact O-CB 3.44Å; A205-V208 PolarHBondContact O-N 2.68Å; A205-C209 PolarHBondContact O-N 2.95Å; A205-C209 PolarHBondContact O-SG 3.17Å; A205-C215 WeakPolarHBondContact CB-O 3.29Å
206	T	89.9	Confident	89.8	Confident	39 Å²	39	47.9 Å²	47.9	24%	0.239	27%	0.27	C	S	.	.	H	α-helix	trans	-55.3	-53.4	-175.7	-64.1	0	0	0	0	114.2	L136 S202 V208 C209 K210	L136-T206 HydrophobicContact CD1-CG2 4Å; S202-T206 PolarHBondContact O-N 3.39Å; S202-T206 VanDerWaalsContact O-N 3.14Å; S202-T206 PolarHBondContact O-OG1 2.87Å; T206-V208 VanDerWaalsContact C-N 3.31Å; T206-V208 PolarHBondContact O-N 2.89Å; T206-C209 PolarHBondContact O-N 3.04Å; T206-K210 WeakPolarHBondContact O-CG 3.22Å; T206-K210 PolarHBondContact O-N 3.18Å
207	P	88.3	Confident	89.7	Confident	82 Å²	82	48.6 Å²	48.6	53%	0.532	28%	0.275	S	S	.	.	H	α-helix	trans	-63.6	-35.6	178.1	24.6	-34.1	0	0	0	112.5	D203 Q204 K210 G211	D203-P207 WeakPolarHBondContact O-CD 3.48Å; Q204-P207 WeakPolarHBondContact O-CD 3.38Å; Q204-P207 WeakPolarHBondContact O-CG 3.06Å; P207-K210 PolarHBondContact O-N 3.17Å; P207-G211 PolarHBondContact O-N 3.01Å
208	V	88.8	Confident	89.7	Confident	38 Å²	38	46.3 Å²	46.3	23%	0.23	26%	0.26	C	S	.	.	H	α-helix	trans	-63.9	-45.4	177	-176.2	0	0	0	0	110.7	A205 T206 K210 G211 E213 C215	A205-V208 WeakPolarHBondContact O-CB 3.44Å; A205-V208 PolarHBondContact O-N 2.68Å; T206-V208 VanDerWaalsContact C-N 3.31Å; T206-V208 PolarHBondContact O-N 2.89Å; V208-K210 VanDerWaalsContact C-N 3.33Å; V208-K210 PolarHBondContact O-N 2.97Å; V208-G211 PolarHBondContact O-N 3Å; V208-E213 HydrophobicContact CG1-CB 3.66Å; V208-E213 PolarHBondContact O-N 3.2Å; V208-E213 VanDerWaalsContact O-N 3.15Å; V208-C215 HydrophobicContact CB-CB 3.87Å; V208-C215 HydrophobicContact CG1-CB 3.7Å
209	C	87.4	Confident	89.7	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.007	26%	0.256	C	S	.	.	H	α-helix	trans	-61.4	-43	174.5	-58.5	0	0	0	0	111.2	A132 L136 A205 T206 G211 N212 C215	A132-C209 WeakPolarHBondContact CB-O 3.43Å; L136-C209 HydrophobicContact CB-CB 4.19Å; L136-C209 HydrophobicContact CD1-CB 4.01Å; A205-C209 PolarHBondContact O-N 2.95Å; A205-C209 PolarHBondContact O-SG 3.17Å; T206-C209 PolarHBondContact O-N 3.04Å; C209-G211 VanDerWaalsContact C-N 3.29Å; C209-G211 PolarHBondContact O-N 2.82Å; C209-N212 PolarHBondContact O-N 3.43Å; C209-C215 WeakPolarHBondContact CA-SG 3.38Å; C209-C215 HydrophobicContact CB-CB 3.85Å; C209-C215 WeakPolarHBondContact CB-SG 3.34Å; C209-C215 WeakPolarHBondContact SG-CB 3.44Å; C209-C215 CovalentContact SG-SG 2.03Å; C209-C215 PolarHBondContact SG-SG 3.32Å
210	K	88.3	Confident	90	Very high	63 Å²	63	42.2 Å²	42.2	27%	0.274	24%	0.238	S	C	.	.	H	α-helix	trans	-65.2	-32.3	180	-74	-169.1	175.5	-164.1	0	112.8	C103 E119 T206 P207 V208 N212	C103-K210 HydrophobicContact CB-CB 4.12Å; C103-K210 HydrophobicContact CB-CG 4.34Å; C103-K210 VanDerWaalsContact CB-O 3.31Å; C103-K210 WeakPolarHBondContact CB-O 3.48Å; C103-K210 PolarHBondContact N-O 3.27Å; C103-K210 VanDerWaalsContact SG-CA 3.51Å; C103-K210 PolarHBondContact SG-O 3.47Å; E119-K210 IonicContact OE1-NZ 2.81Å; E119-K210 PolarHBondContact OE1-NZ 3.08Å; E119-K210 IonicContact OE2-NZ 2.66Å; E119-K210 PolarHBondContact OE2-NZ 3.03Å; T206-K210 WeakPolarHBondContact O-CG 3.22Å; T206-K210 PolarHBondContact O-N 3.18Å; P207-K210 PolarHBondContact O-N 3.17Å; V208-K210 VanDerWaalsContact C-N 3.33Å; V208-K210 PolarHBondContact O-N 2.97Å; K210-N212 PolarHBondContact O-N 2.61Å
211	G	85.3	Confident	90.5	Very high	50 Å²	50	45.7 Å²	45.7	52%	0.515	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	3.9	170.9	0	0	0	0	0	115.1	P207 V208 C209 E213	P207-G211 PolarHBondContact O-N 3.01Å; V208-G211 PolarHBondContact O-N 3Å; C209-G211 VanDerWaalsContact C-N 3.29Å; C209-G211 PolarHBondContact O-N 2.82Å; G211-E213 VanDerWaalsContact C-N 3.29Å; G211-E213 PolarHBondContact O-N 3.04Å
212	N	87	Confident	90.7	Very high	31 Å²	31	43.1 Å²	43.1	17%	0.166	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	27.9	-176.3	-155	29.3	0	0	0	114.6	P98 P99 G100 P102 R135 C209 K210	P98-N212 WeakPolarHBondContact CB-O 3.48Å; P98-N212 VanDerWaalsContact CG-O 3.3Å; P98-N212 WeakPolarHBondContact CG-O 3.34Å; P99-N212 PolarHBondContact O-OD1 3.12Å; G100-N212 PolarHBondContact O-ND2 2.89Å; P102-N212 HydrophobicContact CB-CB 4.12Å; R135-N212 PolarHBondContact NH2-OD1 3.03Å; C209-N212 PolarHBondContact O-N 3.43Å; K210-N212 PolarHBondContact O-N 2.61Å
213	E	88.8	Confident	91	Very high	121 Å²	121	42.9 Å²	42.9	57%	0.565	23%	0.228	S	C	*	.	S	Bend	trans	-92.6	173.7	176	-66.7	-171.5	-179.6	0	0	112.3	R135 V208 G211 C215	R135-E213 PolarHBondContact NE-O 3.04Å; V208-E213 HydrophobicContact CG1-CB 3.66Å; V208-E213 PolarHBondContact O-N 3.2Å; V208-E213 VanDerWaalsContact O-N 3.15Å; G211-E213 VanDerWaalsContact C-N 3.29Å; G211-E213 PolarHBondContact O-N 3.04Å; E213-C215 PolarHBondContact O-N 3.34Å
214	W	89.4	Confident	91.1	Very high	41 Å²	41	41 Å²	41	16%	0.155	23%	0.226	C	C	.	.			trans	-72.9	112.1	166.8	-70.1	125.1	0	0	0	108.7	D75 C77 M78 L81 L89 S96 P98 C129	D75-W214 HydrophobicContact CB-CB 3.95Å; D75-W214 HydrophobicContact CB-CG 4.43Å; D75-W214 WeakPolarHBondContact OD2-CB 3.4Å; C77-W214 HydrophobicContact CB-CE3 3.48Å; C77-W214 VanDerWaalsContact CB-CE3 3.48Å; C77-W214 HydrophobicContact CB-CH2 4.08Å; C77-W214 HydrophobicContact CB-CZ3 3.21Å; M78-W214 HydrophobicContact CE-CB 4.25Å; M78-W214 HydrophobicContact CE-CG 3.84Å; L81-W214 HydrophobicContact CD2-CZ2 4.48Å; L89-W214 HydrophobicContact CD1-CH2 3.84Å; L89-W214 HydrophobicContact CD1-CZ3 4.25Å; L89-W214 HydrophobicContact CD2-CH2 4.12Å; S96-W214 PolarHBondContact O-NE1 2.68Å; P98-W214 HydrophobicContact CB-CD2 4.1Å; P98-W214 HydrophobicContact CB-CE3 4.17Å; P98-W214 HydrophobicContact CB-CH2 4.28Å; P98-W214 HydrophobicContact CB-CZ2 4.22Å; P98-W214 HydrophobicContact CB-CZ3 4.22Å; P98-W214 HydrophobicContact CG-CD2 3.62Å; P98-W214 HydrophobicContact CG-CE3 4.15Å; P98-W214 HydrophobicContact CG-CG 3.74Å; P98-W214 HydrophobicContact CG-CZ2 4.23Å; C129-W214 HydrophobicContact CB-CZ3 4.5Å
215	C	89.8	Confident	91	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.007	22%	0.222	C	C	.	.			trans	-123.6	5.9	-167	67.5	0	0	0	0	115.3	D75 A205 V208 C209 E213	D75-C215 PolarHBondContact OD2-N 3.32Å; A205-C215 WeakPolarHBondContact CB-O 3.29Å; V208-C215 HydrophobicContact CB-CB 3.87Å; V208-C215 HydrophobicContact CG1-CB 3.7Å; C209-C215 WeakPolarHBondContact CA-SG 3.38Å; C209-C215 HydrophobicContact CB-CB 3.85Å; C209-C215 WeakPolarHBondContact CB-SG 3.34Å; C209-C215 WeakPolarHBondContact SG-CB 3.44Å; C209-C215 CovalentContact SG-SG 2.03Å; C209-C215 PolarHBondContact SG-SG 3.32Å; E213-C215 PolarHBondContact O-N 3.34Å
216	N	96.1	Very high	91.1	Very high	7 Å²	7	40.5 Å²	40.5	4%	0.037	22%	0.222	C	C	.	.			trans	-107.2	50.6	177.5	-67.5	-81.4	0	0	0	110.3	D75 L76 R135 L138 S139 L218	D75-N216 WeakPolarHBondContact OD2-CA 3.18Å; D75-N216 PolarHBondContact OD2-N 3.36Å; L76-N216 HydrophobicContact CB-CB 4.11Å; L76-N216 WeakPolarHBondContact CB-O 3.48Å; L76-N216 PolarHBondContact N-O 2.85Å; R135-N216 PolarHBondContact O-ND2 2.84Å; R135-N216 VanDerWaalsContact O-ND2 3.12Å; R135-N216 PolarHBondContact O-OD1 2.9Å; L138-N216 HydrophobicContact CD2-CB 4.32Å; S139-N216 WeakPolarHBondContact CA-OD1 3.42Å; S139-N216 WeakPolarHBondContact CB-OD1 3.42Å; S139-N216 PolarHBondContact N-OD1 2.03Å; N216-L218 PolarHBondContact O-N 2.97Å
217	S	95.1	Very high	91.1	Very high	19 Å²	19	43.1 Å²	43.1	13%	0.133	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-64.8	128.2	-179.2	-178.2	0	0	0	0	111.6	D75 N199	D75-S217 PolarHBondContact OD2-N 2.99Å; N199-S217 WeakPolarHBondContact CB-O 3.31Å; N199-S217 WeakPolarHBondContact CB-OG 3.3Å; N199-S217 PolarHBondContact N-O 3.25Å; N199-S217 PolarHBondContact ND2-OG 3.14Å; N199-S217 VanDerWaalsContact ND2-OG 3.09Å
218	L	95.5	Very high	91.1	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	159.3	173.3	-59.1	175.8	0	0	0	110.3	T73 P74 L76 L79 F149 V196 S197 N216 L240	T73-L218 WeakPolarHBondContact CA-O 3.22Å; P74-L218 WeakPolarHBondContact O-CB 3.37Å; P74-L218 PolarHBondContact O-N 2.95Å; L76-L218 HydrophobicContact CB-CD1 4.18Å; L76-L218 HydrophobicContact CB-CD2 4.32Å; L76-L218 HydrophobicContact CB-CG 4.16Å; L76-L218 HydrophobicContact CD1-CD1 4.24Å; L76-L218 HydrophobicContact CD1-CD2 4.07Å; L79-L218 HydrophobicContact CD1-CD1 3.78Å; F149-L218 HydrophobicContact CE1-CD2 4.36Å; F149-L218 HydrophobicContact CE2-CD2 4.44Å; F149-L218 HydrophobicContact CZ-CD2 3.93Å; V196-L218 HydrophobicContact CG1-CB 4.41Å; V196-L218 HydrophobicContact CG1-CD1 4.33Å; V196-L218 HydrophobicContact CG1-CD2 4.39Å; S197-L218 CarbonylContact O-C 3.59Å; S197-L218 WeakPolarHBondContact O-CA 3.39Å; N216-L218 PolarHBondContact O-N 2.97Å; L218-L240 HydrophobicContact CD1-CD1 4.18Å
219	T	95.9	Very high	90.9	Very high	8 Å²	8	45 Å²	45	5%	0.049	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	117.3	163.7	-54.7	0	0	0	0	107.9	D71 V196 S197 N199 R221	D71-T219 HydrophobicContact CB-CG2 4.2Å; V196-T219 WeakPolarHBondContact CA-O 3.49Å; S197-T219 PolarHBondContact N-O 3.3Å; S197-T219 PolarHBondContact O-N 3.07Å; N199-T219 WeakPolarHBondContact CA-OG1 3.3Å; N199-T219 WeakPolarHBondContact CB-OG1 3.39Å; N199-T219 PolarHBondContact OD1-OG1 2.91Å; N199-T219 VanDerWaalsContact OD1-OG1 3.14Å; T219-R221 HydrophobicContact CG2-CG 4.01Å
220	I	97.2	Very high	90.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	119.2	176.7	-51.9	176.6	0	0	0	108.3	L72 P74 I194 T195 V196 F253 I255	L72-I220 HydrophobicContact CB-CB 4.11Å; L72-I220 PolarHBondContact N-O 2.69Å; L72-I220 PolarHBondContact O-N 3.49Å; P74-I220 HydrophobicContact CG-CD1 3.77Å; P74-I220 HydrophobicContact CG-CG1 4.49Å; I194-I220 HydrophobicContact CB-CG2 3.82Å; I194-I220 HydrophobicContact CD1-CG2 3.83Å; I194-I220 HydrophobicContact CG1-CG2 4.36Å; I194-I220 HydrophobicContact CG2-CG2 3.91Å; T195-I220 CarbonylContact O-C 3.34Å; T195-I220 WeakPolarHBondContact O-CA 3.34Å; V196-I220 HydrophobicContact CG1-CG1 4.24Å; V196-I220 HydrophobicContact CG2-CG1 4.19Å; V196-I220 HydrophobicContact CG2-CG2 4.32Å; I220-F253 HydrophobicContact CD1-CE2 3.94Å; I220-I255 HydrophobicContact CD1-CD1 4.35Å; I220-I255 HydrophobicContact CG2-CD1 3.82Å
221	R	94.9	Very high	90.8	Very high	120 Å²	120	48.3 Å²	48.3	45%	0.453	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	138	-179.9	-51.3	-173.1	165.1	-95.5	-1.9	110.7	D71 I194 T195 T219	D71-R221 VanDerWaalsContact CG-CZ 3.44Å; D71-R221 WeakPolarHBondContact OD1-CG 3.41Å; D71-R221 IonicContact OD1-CZ 3.84Å; D71-R221 IonicContact OD1-NE 2.96Å; D71-R221 IonicContact OD1-NH1 3.3Å; D71-R221 PolarHBondContact OD1-NH1 3.45Å; D71-R221 IonicContact OD2-CZ 3.91Å; D71-R221 IonicContact OD2-NE 3.46Å; D71-R221 IonicContact OD2-NH1 2.91Å; D71-R221 PolarHBondContact OD2-NH1 3.27Å; D71-R221 IonicContact OD2-NH2 2.83Å; D71-R221 PolarHBondContact OD2-NH2 2.93Å; I194-R221 CarbonylContact C-O 3.53Å; I194-R221 WeakPolarHBondContact CA-O 2.9Å; T195-R221 PolarHBondContact N-O 3.3Å; T195-R221 PolarHBondContact O-N 3.5Å; T219-R221 HydrophobicContact CG2-CG 4.01Å
222	F	94.7	Very high	91.2	Very high	13 Å²	13	45.9 Å²	45.9	6%	0.057	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	127.8	173.8	-63.3	-86.7	0	0	0	111.4	W46 W69 P70 L72 I194 K227 W232 I255	W46-F222 HydrophobicContact CD2-CE1 4.48Å; W46-F222 HydrophobicContact CD2-CE2 4.32Å; W46-F222 AromaticContact CD2-CZ 3.63Å; W46-F222 HydrophobicContact CD2-CZ 3.63Å; W46-F222 AromaticContact CE2-CZ 3.64Å; W46-F222 HydrophobicContact CE3-CE1 4.15Å; W46-F222 AromaticContact CE3-CZ 3.61Å; W46-F222 HydrophobicContact CE3-CZ 3.61Å; W46-F222 HydrophobicContact CG-CZ 4.4Å; W46-F222 AromaticContact CH2-CE1 3.52Å; W46-F222 HydrophobicContact CH2-CE1 3.52Å; W46-F222 AromaticContact CH2-CZ 3.64Å; W46-F222 HydrophobicContact CH2-CZ 3.64Å; W46-F222 AromaticContact CZ2-CE1 3.91Å; W46-F222 HydrophobicContact CZ2-CE1 3.91Å; W46-F222 HydrophobicContact CZ2-CE2 4.37Å; W46-F222 AromaticContact CZ2-CZ 3.67Å; W46-F222 HydrophobicContact CZ2-CZ 3.67Å; W46-F222 AromaticContact CZ3-CE1 3.65Å; W46-F222 HydrophobicContact CZ3-CE1 3.65Å; W46-F222 AromaticContact CZ3-CZ 3.6Å; W46-F222 HydrophobicContact CZ3-CZ 3.6Å; W69-F222 HydrophobicContact CB-CB 4.29Å; W69-F222 HydrophobicContact CB-CD2 3.87Å; W69-F222 HydrophobicContact CB-CG 4.26Å; W69-F222 HydrophobicContact CD2-CG 4.44Å; W69-F222 HydrophobicContact CE3-CB 4.12Å; W69-F222 AromaticContact CE3-CD1 3.56Å; W69-F222 HydrophobicContact CE3-CD1 3.56Å; W69-F222 AromaticContact CE3-CD2 3.94Å; W69-F222 HydrophobicContact CE3-CD2 3.94Å; W69-F222 AromaticContact CE3-CE1 3.86Å; W69-F222 HydrophobicContact CE3-CE1 3.86Å; W69-F222 HydrophobicContact CE3-CE2 4.22Å; W69-F222 AromaticContact CE3-CG 3.6Å; W69-F222 HydrophobicContact CE3-CG 3.6Å; W69-F222 HydrophobicContact CE3-CZ 4.18Å; W69-F222 AromaticContact CZ3-CD1 3.85Å; W69-F222 HydrophobicContact CZ3-CD1 3.85Å; W69-F222 AromaticContact CZ3-CE1 4Å; W69-F222 HydrophobicContact CZ3-CE1 4Å; W69-F222 HydrophobicContact CZ3-CG 4.34Å; P70-F222 WeakPolarHBondContact O-CD2 3.3Å; P70-F222 WeakPolarHBondContact O-CE2 3.44Å; L72-F222 HydrophobicContact CD1-CE2 4.24Å; L72-F222 HydrophobicContact CD1-CZ 3.98Å; L72-F222 HydrophobicContact CD2-CE2 4.06Å; L72-F222 HydrophobicContact CD2-CZ 4.41Å; L72-F222 HydrophobicContact CG-CE2 4.1Å; L72-F222 HydrophobicContact CG-CZ 4.35Å; I194-F222 HydrophobicContact CG2-CD1 4.4Å; F222-K227 HydrophobicContact CB-CG 3.9Å; F222-K227 WeakPolarHBondContact O-CE 3.39Å; F222-W232 AromaticContact CD1-CH2 3.77Å; F222-W232 HydrophobicContact CD1-CH2 3.77Å; F222-W232 AromaticContact CD1-CZ2 3.6Å; F222-W232 HydrophobicContact CD1-CZ2 3.6Å; F222-W232 HydrophobicContact CE1-CD2 4.43Å; F222-W232 HydrophobicContact CE1-CE3 4.33Å; F222-W232 AromaticContact CE1-CH2 3.58Å; F222-W232 HydrophobicContact CE1-CH2 3.58Å; F222-W232 AromaticContact CE1-CZ2 3.69Å; F222-W232 HydrophobicContact CE1-CZ2 3.69Å; F222-W232 AromaticContact CE1-CZ3 3.93Å; F222-W232 HydrophobicContact CE1-CZ3 3.93Å; F222-I255 HydrophobicContact CE1-CG2 4.49Å; F222-I255 HydrophobicContact CZ-CG2 4.41Å
223	T	92.1	Very high	91.4	Very high	25 Å²	25	48.1 Å²	48.1	15%	0.153	25%	0.249	C	C	.	.			trans	-73.3	165	174.1	68.5	0	0	0	0	111.2	D192 Y193 T195 F225 G226 K227	D192-T223 WeakPolarHBondContact O-CB 3.3Å; D192-T223 WeakPolarHBondContact O-CG2 3.46Å; D192-T223 PolarHBondContact O-OG1 2.91Å; Y193-T223 WeakPolarHBondContact CA-OG1 3.49Å; Y193-T223 PolarHBondContact O-N 3.31Å; Y193-T223 PolarHBondContact O-OG1 3.01Å; T195-T223 HydrophobicContact CG2-CG2 4.03Å; T223-F225 PolarHBondContact O-N 2.76Å; T223-F225 PolarHBondContact OG1-N 2.89Å; T223-G226 PolarHBondContact O-N 2.88Å; T223-G226 PolarHBondContact OG1-N 3.04Å; T223-K227 VanDerWaalsContact O-CG 3.31Å; T223-K227 WeakPolarHBondContact O-CG 3.45Å; T223-K227 PolarHBondContact O-N 2.61Å
224	S	88.8	Confident	91.4	Very high	96 Å²	96	47.2 Å²	47.2	67%	0.671	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-30	172.8	55	0	0	0	0	113	Q228	S224-Q228 WeakPolarHBondContact O-CG 3.32Å; S224-Q228 PolarHBondContact O-NE2 3.49Å
225	F	89.4	Confident	91.7	Very high	94 Å²	94	45.3 Å²	45.3	41%	0.412	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-44.7	174.6	-160.8	-83.9	0	0	0	111.4	W191 Y193 T223 K227 Q228 A229	W191-F225 WeakPolarHBondContact O-CD1 3.45Å; W191-F225 WeakPolarHBondContact O-CE1 3.18Å; Y193-F225 AromaticContact CD1-CD1 3.8Å; Y193-F225 HydrophobicContact CD1-CD1 3.8Å; Y193-F225 HydrophobicContact CD1-CE1 4.37Å; Y193-F225 AromaticContact CE1-CD1 3.61Å; Y193-F225 HydrophobicContact CE1-CD1 3.61Å; Y193-F225 AromaticContact CE1-CE1 3.71Å; Y193-F225 HydrophobicContact CE1-CE1 3.71Å; T223-F225 PolarHBondContact O-N 2.76Å; T223-F225 PolarHBondContact OG1-N 2.89Å; F225-K227 VanDerWaalsContact C-N 3.29Å; F225-K227 PolarHBondContact O-N 2.83Å; F225-Q228 WeakPolarHBondContact O-CB 3.47Å; F225-Q228 PolarHBondContact O-N 3.11Å; F225-A229 PolarHBondContact O-N 3.43Å
226	G	91.1	Very high	92	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-58	-39.4	176.1	0	0	0	0	0	113.2	T223 Q228 A229 W232	T223-G226 PolarHBondContact O-N 2.88Å; T223-G226 PolarHBondContact OG1-N 3.04Å; G226-Q228 PolarHBondContact O-N 2.94Å; G226-Q228 VanDerWaalsContact O-N 3.15Å; G226-A229 WeakPolarHBondContact O-CB 3.44Å; G226-A229 PolarHBondContact O-N 2.84Å; G226-A229 VanDerWaalsContact O-N 3.12Å; G226-W232 PolarHBondContact O-NE1 2.92Å
227	K	89.8	Confident	92.1	Very high	95 Å²	95	47.3 Å²	47.3	41%	0.413	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-64.9	-14.1	176.5	-66.2	179.6	-176.2	-177.5	0	114.3	W69 F222 T223 F225	W69-K227 HydrophobicContact CB-CD 4.25Å; W69-K227 HydrophobicContact CB-CG 4.27Å; W69-K227 HydrophobicContact CD2-CB 4.23Å; W69-K227 HydrophobicContact CD2-CD 4.45Å; W69-K227 HydrophobicContact CD2-CG 3.67Å; W69-K227 HydrophobicContact CE3-CG 4.15Å; W69-K227 HydrophobicContact CG-CD 3.96Å; W69-K227 HydrophobicContact CG-CG 3.7Å; W69-K227 HydrophobicContact CZ2-CB 4.19Å; W69-K227 VanDerWaalsContact CZ2-O 3.3Å; W69-K227 WeakPolarHBondContact CZ2-O 3.23Å; F222-K227 HydrophobicContact CB-CG 3.9Å; F222-K227 WeakPolarHBondContact O-CE 3.39Å; T223-K227 VanDerWaalsContact O-CG 3.31Å; T223-K227 WeakPolarHBondContact O-CG 3.45Å; T223-K227 PolarHBondContact O-N 2.61Å; F225-K227 VanDerWaalsContact C-N 3.29Å; F225-K227 PolarHBondContact O-N 2.83Å
228	Q	87	Confident	92.2	Very high	146 Å²	146	46.4 Å²	46.4	68%	0.682	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-95.5	-17.1	177.1	-65.6	171.7	49.5	0	0	112.7	S224 F225 G226	S224-Q228 WeakPolarHBondContact O-CG 3.32Å; S224-Q228 PolarHBondContact O-NE2 3.49Å; F225-Q228 WeakPolarHBondContact O-CB 3.47Å; F225-Q228 PolarHBondContact O-N 3.11Å; G226-Q228 PolarHBondContact O-N 2.94Å; G226-Q228 VanDerWaalsContact O-N 3.15Å
229	A	85.2	Confident	92.4	Very high	14 Å²	14	46.4 Å²	46.4	12%	0.116	25%	0.246	C	C	.	.			trans	-70.4	138	176.5	0	0	0	0	0	110.3	Y193 F225 G226 W232	Y193-A229 HydrophobicContact CE2-CB 4.29Å; F225-A229 PolarHBondContact O-N 3.43Å; G226-A229 WeakPolarHBondContact O-CB 3.44Å; G226-A229 PolarHBondContact O-N 2.84Å; G226-A229 VanDerWaalsContact O-N 3.12Å; A229-W232 PolarHBondContact O-NE1 3.3Å
230	T	82.7	Confident	92.5	Very high	89 Å²	89	46 Å²	46	55%	0.546	24%	0.244	S	C	.	.			trans	-107.3	-2.8	177.9	51	0	0	0	0	112.5	W66 W232	W66-T230 WeakPolarHBondContact CH2-O 3.25Å; W66-T230 HydrophobicContact CZ2-CG2 4.29Å; T230-W232 VanDerWaalsContact C-N 3.27Å; T230-W232 PolarHBondContact O-N 3.47Å
231	S	90.9	Very high	92.5	Very high	43 Å²	43	47.4 Å²	47.4	30%	0.301	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-83.1	9.2	-179	47.4	0	0	0	0	114.2	V233 T234 G235 H236	S231-V233 PolarHBondContact O-N 2.91Å; S231-V233 VanDerWaalsContact O-N 3.11Å; S231-T234 PolarHBondContact O-N 3.33Å; S231-T234 PolarHBondContact O-OG1 3.35Å; S231-G235 PolarHBondContact O-N 2.92Å; S231-H236 PolarHBondContact OG-CE1 3.03Å; S231-H236 PolarHBondContact OG-NE2 2.82Å
232	W	94.4	Very high	92.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-61.4	-23.8	-178.7	-69.8	106.3	0	0	0	114.1	W46 W66 W69 Y193 I194 F222 G226 A229 T230 T234 G235 H236 W238 I255 R256 L257	W46-W232 HydrophobicContact CH2-CB 3.68Å; W46-W232 AromaticContact CH2-CD1 3.97Å; W46-W232 AromaticContact CH2-CD2 3.52Å; W46-W232 HydrophobicContact CH2-CD2 3.52Å; W46-W232 AromaticContact CH2-CE3 3.87Å; W46-W232 HydrophobicContact CH2-CE3 3.87Å; W46-W232 AromaticContact CH2-CG 3.45Å; W46-W232 HydrophobicContact CH2-CG 3.45Å; W46-W232 VanDerWaalsContact CH2-CG 3.45Å; W46-W232 HydrophobicContact CZ3-CB 3.92Å; W46-W232 AromaticContact CZ3-CD2 3.7Å; W46-W232 HydrophobicContact CZ3-CD2 3.7Å; W46-W232 AromaticContact CZ3-CE3 3.53Å; W46-W232 HydrophobicContact CZ3-CE3 3.53Å; W46-W232 AromaticContact CZ3-CG 3.92Å; W46-W232 HydrophobicContact CZ3-CG 3.92Å; W46-W232 HydrophobicContact CZ3-CZ3 4.22Å; W66-W232 HydrophobicContact CH2-CB 4.4Å; W66-W232 HydrophobicContact CZ3-CB 4.03Å; W66-W232 AromaticContact CZ3-CD1 3.74Å; W66-W232 HydrophobicContact CZ3-CG 4.27Å; W69-W232 AromaticContact CH2-CD1 3.59Å; W69-W232 AromaticContact CH2-NE1 3.48Å; W69-W232 AromaticContact CZ3-CD1 3.74Å; W69-W232 AromaticContact CZ3-CE2 3.9Å; W69-W232 HydrophobicContact CZ3-CG 4.39Å; W69-W232 HydrophobicContact CZ3-CZ2 4.44Å; W69-W232 AromaticContact CZ3-NE1 3.4Å; Y193-W232 HydrophobicContact CD2-CH2 4.07Å; Y193-W232 HydrophobicContact CD2-CZ2 4.04Å; Y193-W232 HydrophobicContact CG-CH2 4.31Å; Y193-W232 HydrophobicContact CG-CZ2 4.15Å; I194-W232 HydrophobicContact CG2-CH2 4.09Å; F222-W232 AromaticContact CD1-CH2 3.77Å; F222-W232 HydrophobicContact CD1-CH2 3.77Å; F222-W232 AromaticContact CD1-CZ2 3.6Å; F222-W232 HydrophobicContact CD1-CZ2 3.6Å; F222-W232 HydrophobicContact CE1-CD2 4.43Å; F222-W232 HydrophobicContact CE1-CE3 4.33Å; F222-W232 AromaticContact CE1-CH2 3.58Å; F222-W232 HydrophobicContact CE1-CH2 3.58Å; F222-W232 AromaticContact CE1-CZ2 3.69Å; F222-W232 HydrophobicContact CE1-CZ2 3.69Å; F222-W232 AromaticContact CE1-CZ3 3.93Å; F222-W232 HydrophobicContact CE1-CZ3 3.93Å; G226-W232 PolarHBondContact O-NE1 2.92Å; A229-W232 PolarHBondContact O-NE1 3.3Å; T230-W232 VanDerWaalsContact C-N 3.27Å; T230-W232 PolarHBondContact O-N 3.47Å; W232-T234 VanDerWaalsContact C-N 3.31Å; W232-T234 PolarHBondContact O-N 2.85Å; W232-G235 PolarHBondContact O-N 2.79Å; W232-G235 VanDerWaalsContact O-N 3.12Å; W232-H236 AromaticContact CD2-CD2 3.96Å; W232-H236 AromaticContact CE3-CD2 3.67Å; W232-H236 HydrophobicContact CZ3-CB 4.31Å; W232-H236 AromaticContact CZ3-CD2 3.94Å; W232-W238 AromaticContact CH2-CH2 3.99Å; W232-W238 HydrophobicContact CH2-CH2 3.99Å; W232-W238 AromaticContact CZ3-CH2 3.9Å; W232-W238 HydrophobicContact CZ3-CH2 3.9Å; W232-I255 HydrophobicContact CE3-CG2 4.23Å; W232-I255 HydrophobicContact CZ3-CB 4.04Å; W232-I255 HydrophobicContact CZ3-CG2 3.87Å; W232-R256 CarbonylContact O-C 3.49Å; W232-R256 VanDerWaalsContact O-CA 3.22Å; W232-R256 WeakPolarHBondContact O-CA 3.48Å; W232-R256 WeakPolarHBondContact O-CB 3.25Å; W232-L257 HydrophobicContact CB-CB 3.81Å; W232-L257 PolarHBondContact O-N 3.44Å
233	V	89.7	Confident	92.8	Very high	77 Å²	77	44.8 Å²	44.8	47%	0.467	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-65.2	-35.1	175.9	-174.6	0	0	0	0	111.9	W66 S231 G235 L257 I259	W66-V233 HydrophobicContact CH2-CG2 4.47Å; S231-V233 PolarHBondContact O-N 2.91Å; S231-V233 VanDerWaalsContact O-N 3.11Å; V233-G235 VanDerWaalsContact C-N 3.26Å; V233-G235 PolarHBondContact O-N 3.34Å; V233-L257 WeakPolarHBondContact CA-O 3.35Å; V233-I259 HydrophobicContact CG2-CD1 3.68Å; V233-I259 HydrophobicContact CG2-CG1 4.39Å
234	T	90.5	Very high	92.8	Very high	102 Å²	102	45.4 Å²	45.4	63%	0.626	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-21.2	174.9	60.1	0	0	0	0	112.4	S231 W232 W237	S231-T234 PolarHBondContact O-N 3.33Å; S231-T234 PolarHBondContact O-OG1 3.35Å; W232-T234 VanDerWaalsContact C-N 3.31Å; W232-T234 PolarHBondContact O-N 2.85Å; T234-W237 VanDerWaalsContact O-CH2 3.24Å; T234-W237 WeakPolarHBondContact O-CH2 3.48Å
235	G	94	Very high	92.7	Very high	2 Å²	2	46.7 Å²	46.7	2%	0.021	25%	0.252	C	S	.	.			trans	86.7	155.7	-175.4	0	0	0	0	0	113.8	S231 W232 V233 W237 I255	S231-G235 PolarHBondContact O-N 2.92Å; W232-G235 PolarHBondContact O-N 2.79Å; W232-G235 VanDerWaalsContact O-N 3.12Å; V233-G235 VanDerWaalsContact C-N 3.26Å; V233-G235 PolarHBondContact O-N 3.34Å; G235-W237 VanDerWaalsContact C-CZ3 3.46Å; G235-W237 WeakPolarHBondContact O-CZ3 3.43Å; G235-I255 CarbonylContact C-O 3.51Å; G235-I255 VanDerWaalsContact CA-O 3.25Å; G235-I255 WeakPolarHBondContact CA-O 3.38Å
236	H	97.3	Very high	92.6	Very high	16 Å²	16	45.9 Å²	45.9	7%	0.074	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	151.7	173.6	-67.3	-60.2	0	0	0	109.3	H156 Y193 S231 W232 W238 G254 I255	H156-H236 AromaticContact CG-ND1 3.98Å; Y193-H236 HydrophobicContact CD2-CB 4.42Å; Y193-H236 AromaticContact CD2-CD2 3.68Å; Y193-H236 AromaticContact CD2-CG 3.89Å; Y193-H236 AromaticContact CE2-CD2 3.61Å; Y193-H236 AromaticContact CE2-CE1 3.67Å; Y193-H236 AromaticContact CE2-CG 3.79Å; Y193-H236 AromaticContact CE2-ND1 3.81Å; Y193-H236 AromaticContact CE2-NE2 3.54Å; S231-H236 PolarHBondContact OG-CE1 3.03Å; S231-H236 PolarHBondContact OG-NE2 2.82Å; W232-H236 AromaticContact CD2-CD2 3.96Å; W232-H236 AromaticContact CE3-CD2 3.67Å; W232-H236 HydrophobicContact CZ3-CB 4.31Å; W232-H236 AromaticContact CZ3-CD2 3.94Å; H236-W238 VanDerWaalsContact C-CZ3 3.42Å; H236-W238 HydrophobicContact CB-CH2 3.37Å; H236-W238 HydrophobicContact CB-CZ2 4.18Å; H236-W238 HydrophobicContact CB-CZ3 3.64Å; H236-W238 VanDerWaalsContact O-CZ3 3.22Å; H236-W238 WeakPolarHBondContact O-CZ3 3.38Å; H236-G254 CarbonylContact O-C 3.57Å; H236-G254 WeakPolarHBondContact O-CA 3.44Å; H236-I255 PolarHBondContact N-O 2.88Å; H236-I255 PolarHBondContact O-N 2.9Å
237	W	97.3	Very high	92.6	Very high	34 Å²	34	52.7 Å²	52.7	13%	0.129	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	149.3	-172.1	-66.2	-94.3	0	0	0	111.9	R53 G154 H156 T234 G235 I252 F253 G254	R53-W237 HydrophobicContact CG-CZ2 4.21Å; G154-W237 VanDerWaalsContact CA-O 3.29Å; G154-W237 WeakPolarHBondContact CA-O 3.16Å; G154-W237 PolarHBondContact N-O 2.84Å; H156-W237 PolarHBondContact CE1-O 2.9Å; T234-W237 VanDerWaalsContact O-CH2 3.24Å; T234-W237 WeakPolarHBondContact O-CH2 3.48Å; G235-W237 VanDerWaalsContact C-CZ3 3.46Å; G235-W237 WeakPolarHBondContact O-CZ3 3.43Å; W237-I252 HydrophobicContact CB-CG2 4.42Å; W237-F253 VanDerWaalsContact CA-O 3.3Å; W237-F253 WeakPolarHBondContact CA-O 3.32Å; W237-G254 VanDerWaalsContact CD1-CA 3.42Å
238	W	98.4	Very high	92.9	Very high	0 Å²	0	49 Å²	49	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	153.2	177.5	-66.5	-99.9	0	0	0	109.8	V151 C152 P153 H156 D192 Y193 I194 W232 H236 I252 F253 I255	V151-W238 HydrophobicContact CG1-CB 3.69Å; V151-W238 HydrophobicContact CG1-CG 4.05Å; C152-W238 CarbonylContact O-C 3.34Å; C152-W238 VanDerWaalsContact O-CA 3.25Å; C152-W238 WeakPolarHBondContact O-CA 3.45Å; C152-W238 WeakPolarHBondContact O-CB 3.4Å; P153-W238 VanDerWaalsContact CA-CD1 3.47Å; H156-W238 AromaticContact CE1-CE2 3.41Å; H156-W238 VanDerWaalsContact CE1-CE2 3.41Å; H156-W238 AromaticContact CE1-CZ2 3.45Å; H156-W238 VanDerWaalsContact CE1-CZ2 3.45Å; H156-W238 WeakPolarHBondContact CE1-CZ2 3.26Å; H156-W238 AromaticContact CE1-NE1 3.58Å; H156-W238 AromaticContact NE2-CE2 3.61Å; H156-W238 AromaticContact NE2-CZ2 3.45Å; H156-W238 WeakPolarHBondContact NE2-CZ2 3.37Å; H156-W238 AromaticContact NE2-NE1 3.58Å; D192-W238 PolarHBondContact OD1-NE1 3.33Å; D192-W238 PolarHBondContact OD2-NE1 3.31Å; D192-W238 VanDerWaalsContact OD2-NE1 3.12Å; Y193-W238 HydrophobicContact CD2-CZ2 4.37Å; I194-W238 HydrophobicContact CD1-CD2 3.55Å; I194-W238 HydrophobicContact CD1-CE3 3.82Å; I194-W238 HydrophobicContact CD1-CG 4.05Å; I194-W238 HydrophobicContact CD1-CH2 4.1Å; I194-W238 HydrophobicContact CD1-CZ2 3.85Å; I194-W238 HydrophobicContact CD1-CZ3 4.08Å; I194-W238 HydrophobicContact CG1-CD2 4.22Å; I194-W238 HydrophobicContact CG1-CH2 4.39Å; I194-W238 HydrophobicContact CG1-CZ2 3.8Å; I194-W238 HydrophobicContact CG2-CH2 4.27Å; I194-W238 HydrophobicContact CG2-CZ2 4.29Å; W232-W238 AromaticContact CH2-CH2 3.99Å; W232-W238 HydrophobicContact CH2-CH2 3.99Å; W232-W238 AromaticContact CZ3-CH2 3.9Å; W232-W238 HydrophobicContact CZ3-CH2 3.9Å; H236-W238 VanDerWaalsContact C-CZ3 3.42Å; H236-W238 HydrophobicContact CB-CH2 3.37Å; H236-W238 HydrophobicContact CB-CZ2 4.18Å; H236-W238 HydrophobicContact CB-CZ3 3.64Å; H236-W238 VanDerWaalsContact O-CZ3 3.22Å; H236-W238 WeakPolarHBondContact O-CZ3 3.38Å; W238-I252 WeakPolarHBondContact O-CA 3.32Å; W238-I252 WeakPolarHBondContact O-CG2 3.37Å; W238-F253 HydrophobicContact CB-CD1 4.36Å; W238-F253 HydrophobicContact CB-CE1 3.71Å; W238-F253 HydrophobicContact CB-CE2 4.32Å; W238-F253 HydrophobicContact CB-CZ 3.69Å; W238-F253 HydrophobicContact CE3-CE2 4.14Å; W238-F253 HydrophobicContact CG-CZ 4.27Å; W238-F253 PolarHBondContact N-O 3.45Å; W238-F253 PolarHBondContact O-N 3.45Å; W238-I255 HydrophobicContact CE3-CD1 4.33Å; W238-I255 HydrophobicContact CE3-CG1 4.44Å; W238-I255 HydrophobicContact CH2-CD1 4.34Å; W238-I255 HydrophobicContact CZ3-CB 3.99Å; W238-I255 HydrophobicContact CZ3-CD1 3.81Å; W238-I255 HydrophobicContact CZ3-CG1 3.9Å
239	G	98.2	Very high	93.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	140.2	165.4	0	0	0	0	0	109.8	V151 C152 F170 L251	V151-G239 CarbonylContact C-O 3.51Å; V151-G239 VanDerWaalsContact CA-O 3.25Å; V151-G239 WeakPolarHBondContact CA-O 3.45Å; C152-G239 PolarHBondContact N-O 3.21Å; C152-G239 PolarHBondContact O-N 3.46Å; F170-G239 VanDerWaalsContact O-CA 3.28Å; F170-G239 WeakPolarHBondContact O-CA 3.17Å; G239-L251 CarbonylContact C-O 3.53Å; G239-L251 VanDerWaalsContact CA-O 3.31Å; G239-L251 WeakPolarHBondContact CA-O 3.33Å
240	L	98.6	Very high	93.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	132.8	175.3	-176.1	154.2	0	0	0	108.1	L76 F149 Y150 V151 L218 G250 L251 F253	L76-L240 HydrophobicContact CD1-CD1 3.68Å; L76-L240 HydrophobicContact CD1-CD2 3.6Å; L76-L240 HydrophobicContact CD1-CG 4.33Å; F149-L240 HydrophobicContact CB-CD2 4.13Å; F149-L240 HydrophobicContact CB-CG 4.5Å; F149-L240 HydrophobicContact CD2-CD1 3.72Å; F149-L240 HydrophobicContact CD2-CD2 4.32Å; F149-L240 HydrophobicContact CD2-CG 3.89Å; F149-L240 HydrophobicContact CE2-CD1 4.01Å; F149-L240 HydrophobicContact CG-CD1 4.49Å; F149-L240 HydrophobicContact CG-CD2 4.46Å; Y150-L240 WeakPolarHBondContact O-CA 3.47Å; V151-L240 HydrophobicContact CG2-CB 4.3Å; V151-L240 HydrophobicContact CG2-CD1 4.08Å; V151-L240 HydrophobicContact CG2-CG 4.07Å; L218-L240 HydrophobicContact CD1-CD1 4.18Å; L240-G250 CarbonylContact O-C 3.48Å; L240-G250 WeakPolarHBondContact O-CA 3.4Å; L240-L251 HydrophobicContact CB-CD1 4.1Å; L240-L251 PolarHBondContact N-O 3.13Å; L240-L251 PolarHBondContact O-N 3.08Å; L240-F253 HydrophobicContact CB-CD1 4.37Å; L240-F253 HydrophobicContact CB-CE1 4.12Å
241	R	98.3	Very high	94.6	Very high	30 Å²	30	37.6 Å²	37.6	11%	0.113	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	138.5	173.5	-71.8	-170.8	175.8	-136.3	-19.6	111	F149 Y150 S169 F170 C172 D248 P249	F149-R241 CarbonylContact C-O 3.53Å; F149-R241 WeakPolarHBondContact CA-O 2.98Å; F149-R241 WeakPolarHBondContact CB-O 3.36Å; Y150-R241 HydrophobicContact CD1-CB 4.47Å; Y150-R241 HydrophobicContact CD2-CB 4.24Å; Y150-R241 HydrophobicContact CE1-CB 3.91Å; Y150-R241 HydrophobicContact CE2-CB 3.67Å; Y150-R241 HydrophobicContact CE2-CG 4.2Å; Y150-R241 VanDerWaalsContact CZ-CB 3.47Å; Y150-R241 PolarHBondContact N-O 3.23Å; Y150-R241 PolarHBondContact O-N 3.11Å; Y150-R241 VanDerWaalsContact OH-CD 3.29Å; Y150-R241 WeakPolarHBondContact OH-CD 3.33Å; S169-R241 VanDerWaalsContact CA-NH2 3.32Å; S169-R241 PolarHBondContact O-NE 2.98Å; S169-R241 PolarHBondContact O-NH2 2.8Å; F170-R241 HydrophobicContact CB-CG 4.24Å; F170-R241 HydrophobicContact CD2-CG 3.88Å; F170-R241 HydrophobicContact CG-CG 4.5Å; C172-R241 HydrophobicContact CB-CG 4.35Å; R241-D248 HydrophobicContact CB-CB 4.35Å; R241-P249 CarbonylContact C-O 3.48Å; R241-P249 VanDerWaalsContact CA-O 3.31Å; R241-P249 WeakPolarHBondContact CA-O 3.33Å
242	L	97.9	Very high	95	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	141	167	-57.9	-176.6	0	0	0	108.8	W87 P127 L138 T142 F149 V244 D248 P249	W87-L242 HydrophobicContact CH2-CD1 3.79Å; W87-L242 HydrophobicContact CH2-CD2 4.12Å; W87-L242 HydrophobicContact CH2-CG 3.78Å; W87-L242 HydrophobicContact CZ3-CD1 4.14Å; P127-L242 HydrophobicContact CB-CD1 4.09Å; P127-L242 HydrophobicContact CG-CD1 4.07Å; L138-L242 HydrophobicContact CD1-CD1 3.6Å; L138-L242 HydrophobicContact CD1-CD2 3.93Å; L138-L242 HydrophobicContact CD1-CG 4.41Å; T142-L242 HydrophobicContact CG2-CD2 3.98Å; F149-L242 HydrophobicContact CB-CD2 4.1Å; L242-V244 HydrophobicContact CB-CG1 4.14Å; L242-D248 WeakPolarHBondContact O-CB 3.44Å; L242-D248 VanDerWaalsContact O-OD1 3.06Å; L242-P249 HydrophobicContact CB-CG 3.95Å; L242-P249 HydrophobicContact CD1-CG 3.84Å; L242-P249 HydrophobicContact CG-CG 4.04Å; L242-P249 PolarHBondContact N-O 3.43Å
243	Y	96.6	Very high	95.2	Very high	77 Å²	77	36.7 Å²	36.7	30%	0.302	22%	0.217	S	C	.	.			trans	-92.8	102.5	171.1	-177.9	-125.7	0	0	0	108.8	G147 G148 Y150 W175 W185	G147-Y243 VanDerWaalsContact CA-O 3.28Å; G147-Y243 WeakPolarHBondContact CA-O 3.34Å; G148-Y243 PolarHBondContact O-N 2.91Å; Y150-Y243 HydrophobicContact CE1-CD2 4.35Å; W175-Y243 AromaticContact CH2-CD2 3.92Å; W175-Y243 HydrophobicContact CH2-CD2 3.92Å; W175-Y243 HydrophobicContact CH2-CE2 4.01Å; W175-Y243 HydrophobicContact CZ2-CD2 4.36Å; W175-Y243 HydrophobicContact CZ2-CE2 4.03Å; W185-Y243 AromaticContact CH2-CD1 3.97Å; W185-Y243 HydrophobicContact CH2-CD1 3.97Å; W185-Y243 AromaticContact CH2-CD2 3.97Å; W185-Y243 HydrophobicContact CH2-CD2 3.97Å; W185-Y243 HydrophobicContact CH2-CE1 4.2Å; W185-Y243 HydrophobicContact CH2-CE2 4.17Å; W185-Y243 AromaticContact CH2-CG 3.86Å; W185-Y243 HydrophobicContact CH2-CG 3.86Å; W185-Y243 AromaticContact CZ3-CD1 3.77Å; W185-Y243 HydrophobicContact CZ3-CD1 3.77Å; W185-Y243 HydrophobicContact CZ3-CD2 4.41Å; W185-Y243 AromaticContact CZ3-CE1 3.68Å; W185-Y243 HydrophobicContact CZ3-CE1 3.68Å; W185-Y243 HydrophobicContact CZ3-CE2 4.31Å; W185-Y243 HydrophobicContact CZ3-CG 4.15Å; W185-Y243 AromaticContact CZ3-CZ 3.95Å
244	V	93.5	Very high	95.6	Very high	38 Å²	38	33 Å²	33	23%	0.23	20%	0.195	C	C	.	.			trans	-135.3	163.8	-177.1	-66.3	0	0	0	0	111.1	P127 V141 L242 G246 D248	P127-V244 HydrophobicContact CG-CG1 4.5Å; V141-V244 HydrophobicContact CG1-CG1 3.59Å; L242-V244 HydrophobicContact CB-CG1 4.14Å; V244-G246 PolarHBondContact O-N 3.33Å; V244-D248 PolarHBondContact N-OD1 3.13Å; V244-D248 VanDerWaalsContact O-OD1 3.08Å
245	S	85.9	Confident	95.9	Very high	124 Å²	124	28.2 Å²	28.2	87%	0.867	17%	0.166	S	C	*	.	S	Bend	trans	-65.6	124.1	172.6	56.1	0	0	0	0	110.9
246	G	87.9	Confident	96	Very high	77 Å²	77	31.9 Å²	31.9	79%	0.794	18%	0.179	S	C	*	.	S	Bend	trans	102.3	-124.2	177.7	0	0	0	0	0	112.6	V244	V244-G246 PolarHBondContact O-N 3.33Å
247	H	89.6	Confident	95.8	Very high	143 Å²	143	31.2 Å²	31.2	66%	0.662	18%	0.176	S	C	*	.	S	Bend	trans	-91	124.9	177.8	-174.5	73.2	0	0	0	110.4	P249	H247-P249 WeakPolarHBondContact O-CD 3.47Å
248	D	96.1	Very high	95.3	Very high	17 Å²	17	34.8 Å²	34.8	9%	0.091	19%	0.192	C	C	.	.			trans	-78.3	105.6	178.1	-78.3	-6.9	0	0	0	110.7	Y150 R241 L242 V244	Y150-D248 VanDerWaalsContact CE1-OD2 3.26Å; Y150-D248 WeakPolarHBondContact CE1-OD2 3.49Å; Y150-D248 WeakPolarHBondContact OH-CB 3.13Å; Y150-D248 PolarHBondContact OH-OD2 3.36Å; R241-D248 HydrophobicContact CB-CB 4.35Å; L242-D248 WeakPolarHBondContact O-CB 3.44Å; L242-D248 VanDerWaalsContact O-OD1 3.06Å; V244-D248 PolarHBondContact N-OD1 3.13Å; V244-D248 VanDerWaalsContact O-OD1 3.08Å
249	P	97.1	Very high	94.6	Very high	7 Å²	7	37.4 Å²	37.4	5%	0.045	21%	0.206	C	C	.	.			trans	-69.1	149.2	176.6	33.9	-38.1	0	0	0	109.9	Y86 R241 L242 H247	Y86-P249 HydrophobicContact CD1-CB 3.36Å; Y86-P249 HydrophobicContact CD1-CG 4.02Å; Y86-P249 HydrophobicContact CD2-CB 3.76Å; Y86-P249 HydrophobicContact CD2-CG 4.5Å; Y86-P249 HydrophobicContact CE1-CB 3.32Å; Y86-P249 HydrophobicContact CE1-CG 3.42Å; Y86-P249 VanDerWaalsContact CE1-CG 3.42Å; Y86-P249 HydrophobicContact CE2-CB 3.72Å; Y86-P249 HydrophobicContact CE2-CG 3.96Å; Y86-P249 HydrophobicContact CG-CB 3.58Å; R241-P249 CarbonylContact C-O 3.48Å; R241-P249 VanDerWaalsContact CA-O 3.31Å; R241-P249 WeakPolarHBondContact CA-O 3.33Å; L242-P249 HydrophobicContact CB-CG 3.95Å; L242-P249 HydrophobicContact CD1-CG 3.84Å; L242-P249 HydrophobicContact CG-CG 4.04Å; L242-P249 PolarHBondContact N-O 3.43Å; H247-P249 WeakPolarHBondContact O-CD 3.47Å
250	G	97.1	Very high	93.4	Very high	2 Å²	2	39.9 Å²	39.9	2%	0.021	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	-179.8	-179.9	0	0	0	0	0	114.3	W87 F170 L240	W87-G250 PolarHBondContact NE1-O 3.34Å; F170-G250 VanDerWaalsContact CE2-CA 3.47Å; F170-G250 WeakPolarHBondContact CZ-O 3.26Å; L240-G250 CarbonylContact O-C 3.48Å; L240-G250 WeakPolarHBondContact O-CA 3.4Å
251	L	97.9	Very high	91.8	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	168.8	177.4	55.6	77.6	0	0	0	109.7	L79 A80 W87 G239 L240 F253	L79-L251 HydrophobicContact CB-CD1 3.72Å; L79-L251 HydrophobicContact CB-CD2 3.98Å; L79-L251 HydrophobicContact CD1-CD1 4.13Å; A80-L251 HydrophobicContact CB-CD2 3.74Å; W87-L251 HydrophobicContact CD2-CD2 4.25Å; W87-L251 HydrophobicContact CZ2-CD2 3.89Å; W87-L251 HydrophobicContact CZ2-CG 4.19Å; G239-L251 CarbonylContact C-O 3.53Å; G239-L251 VanDerWaalsContact CA-O 3.31Å; G239-L251 WeakPolarHBondContact CA-O 3.33Å; L240-L251 HydrophobicContact CB-CD1 4.1Å; L240-L251 PolarHBondContact N-O 3.13Å; L240-L251 PolarHBondContact O-N 3.08Å; L251-F253 HydrophobicContact CD1-CD1 4.25Å
252	I	98.3	Very high	89.8	Confident	23 Å²	23	44.5 Å²	44.5	12%	0.118	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	141.3	173.7	-62.2	174.1	0	0	0	108.1	N50 G51 P167 F170 Y171 W237 W238	N50-I252 CarbonylContact C-O 3.31Å; G51-I252 WeakPolarHBondContact CA-O 3.49Å; G51-I252 PolarHBondContact N-O 3.08Å; P167-I252 HydrophobicContact CB-CD1 3.51Å; P167-I252 HydrophobicContact CG-CD1 4.42Å; F170-I252 HydrophobicContact CD1-CD1 4.47Å; F170-I252 HydrophobicContact CD1-CG1 3.99Å; Y171-I252 HydrophobicContact CE2-CD1 4.16Å; Y171-I252 HydrophobicContact CE2-CG1 4.37Å; Y171-I252 HydrophobicContact CE2-CG2 4.23Å; W237-I252 HydrophobicContact CB-CG2 4.42Å; W238-I252 WeakPolarHBondContact O-CA 3.32Å; W238-I252 WeakPolarHBondContact O-CG2 3.37Å
253	F	98.4	Very high	87.9	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	157.6	170.3	69.9	-82.9	0	0	0	110.7	V48 T49 L79 V151 I194 V196 I220 W237 W238 L240 L251 I255	V48-F253 HydrophobicContact CG1-CD2 4.42Å; T49-F253 CarbonylContact O-C 3.53Å; T49-F253 WeakPolarHBondContact O-CA 3.33Å; T49-F253 VanDerWaalsContact O-CB 3.31Å; T49-F253 WeakPolarHBondContact O-CB 3.34Å; L79-F253 HydrophobicContact CB-CB 4.27Å; L79-F253 HydrophobicContact CD1-CB 3.92Å; L79-F253 HydrophobicContact CD1-CD1 3.99Å; L79-F253 HydrophobicContact CD1-CD2 4.48Å; L79-F253 HydrophobicContact CD1-CG 3.88Å; L79-F253 HydrophobicContact CD2-CB 3.93Å; L79-F253 HydrophobicContact CD2-CG 4.49Å; L79-F253 HydrophobicContact CG-CB 4.25Å; V151-F253 HydrophobicContact CG1-CE1 4.13Å; V151-F253 HydrophobicContact CG1-CZ 4.17Å; I194-F253 HydrophobicContact CD1-CE2 4.14Å; I194-F253 HydrophobicContact CD1-CZ 4.14Å; V196-F253 HydrophobicContact CG2-CZ 4.39Å; I220-F253 HydrophobicContact CD1-CE2 3.94Å; W237-F253 VanDerWaalsContact CA-O 3.3Å; W237-F253 WeakPolarHBondContact CA-O 3.32Å; W238-F253 HydrophobicContact CB-CD1 4.36Å; W238-F253 HydrophobicContact CB-CE1 3.71Å; W238-F253 HydrophobicContact CB-CE2 4.32Å; W238-F253 HydrophobicContact CB-CZ 3.69Å; W238-F253 HydrophobicContact CE3-CE2 4.14Å; W238-F253 HydrophobicContact CG-CZ 4.27Å; W238-F253 PolarHBondContact N-O 3.45Å; W238-F253 PolarHBondContact O-N 3.45Å; L240-F253 HydrophobicContact CB-CD1 4.37Å; L240-F253 HydrophobicContact CB-CE1 4.12Å; L251-F253 HydrophobicContact CD1-CD1 4.25Å; F253-I255 HydrophobicContact CD2-CG1 4.43Å; F253-I255 HydrophobicContact CE2-CD1 4.25Å; F253-I255 HydrophobicContact CE2-CG1 4.33Å
254	G	98.1	Very high	86.3	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	158.4	177.5	0	0	0	0	0	112.2	V48 T49 H236 W237	V48-G254 CarbonylContact C-O 3.6Å; V48-G254 VanDerWaalsContact CA-O 3.29Å; V48-G254 WeakPolarHBondContact CA-O 3.25Å; T49-G254 PolarHBondContact N-O 3.36Å; T49-G254 PolarHBondContact O-N 2.64Å; T49-G254 VanDerWaalsContact OG1-CA 3.28Å; T49-G254 WeakPolarHBondContact OG1-CA 3.18Å; T49-G254 PolarHBondContact OG1-N 3.45Å; H236-G254 CarbonylContact O-C 3.57Å; H236-G254 WeakPolarHBondContact O-CA 3.44Å; W237-G254 VanDerWaalsContact CD1-CA 3.42Å
255	I	98.4	Very high	85.2	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	128.5	170.6	-56.3	172.5	0	0	0	107.5	W46 E47 V48 L72 I194 I220 F222 W232 G235 H236 W238 F253	W46-I255 HydrophobicContact CE3-CG2 3.74Å; W46-I255 HydrophobicContact CZ3-CG2 3.85Å; E47-I255 WeakPolarHBondContact O-CA 3.41Å; V48-I255 HydrophobicContact CG2-CG1 4.45Å; L72-I255 HydrophobicContact CD1-CD1 4.1Å; L72-I255 HydrophobicContact CD1-CG1 4.37Å; L72-I255 HydrophobicContact CD1-CG2 3.79Å; I194-I255 HydrophobicContact CD1-CD1 3.83Å; I194-I255 HydrophobicContact CG2-CD1 3.98Å; I220-I255 HydrophobicContact CD1-CD1 4.35Å; I220-I255 HydrophobicContact CG2-CD1 3.82Å; F222-I255 HydrophobicContact CE1-CG2 4.49Å; F222-I255 HydrophobicContact CZ-CG2 4.41Å; W232-I255 HydrophobicContact CE3-CG2 4.23Å; W232-I255 HydrophobicContact CZ3-CB 4.04Å; W232-I255 HydrophobicContact CZ3-CG2 3.87Å; G235-I255 CarbonylContact C-O 3.51Å; G235-I255 VanDerWaalsContact CA-O 3.25Å; G235-I255 WeakPolarHBondContact CA-O 3.38Å; H236-I255 PolarHBondContact N-O 2.88Å; H236-I255 PolarHBondContact O-N 2.9Å; W238-I255 HydrophobicContact CE3-CD1 4.33Å; W238-I255 HydrophobicContact CE3-CG1 4.44Å; W238-I255 HydrophobicContact CH2-CD1 4.34Å; W238-I255 HydrophobicContact CZ3-CB 3.99Å; W238-I255 HydrophobicContact CZ3-CD1 3.81Å; W238-I255 HydrophobicContact CZ3-CG1 3.9Å; F253-I255 HydrophobicContact CD2-CG1 4.43Å; F253-I255 HydrophobicContact CE2-CD1 4.25Å; F253-I255 HydrophobicContact CE2-CG1 4.33Å
256	R	95.7	Very high	85	Confident	79 Å²	79	42.7 Å²	42.7	30%	0.298	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	155	175.2	68.5	-178.5	-178.1	-151	-6.3	112.3	E47 R53 T55 W232	E47-R256 HydrophobicContact CB-CG 3.95Å; E47-R256 PolarHBondContact N-O 3.34Å; E47-R256 PolarHBondContact O-N 2.91Å; E47-R256 IonicContact OE2-CZ 3.84Å; E47-R256 IonicContact OE2-NE 3.13Å; E47-R256 PolarHBondContact OE2-NE 2.89Å; E47-R256 IonicContact OE2-NH2 3.87Å; E47-R256 PolarHBondContact OE2-NH2 3.15Å; R53-R256 PolarHBondContact O-NH1 2.83Å; T55-R256 PolarHBondContact OG1-NH2 3.11Å; W232-R256 CarbonylContact O-C 3.49Å; W232-R256 VanDerWaalsContact O-CA 3.22Å; W232-R256 WeakPolarHBondContact O-CA 3.48Å; W232-R256 WeakPolarHBondContact O-CB 3.25Å
257	L	92.7	Very high	84.7	Confident	3 Å²	3	41 Å²	41	2%	0.016	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	118.2	175.3	179.8	64	0	0	0	109.6	L44 W46 W66 W232 V233 I259	L44-L257 HydrophobicContact CB-CD1 4.07Å; L44-L257 HydrophobicContact CD2-CD1 4.35Å; W46-L257 HydrophobicContact CD2-CB 4.47Å; W46-L257 HydrophobicContact CD2-CD1 3.98Å; W46-L257 HydrophobicContact CE3-CB 4.11Å; W46-L257 HydrophobicContact CE3-CD1 4.44Å; W46-L257 HydrophobicContact CG-CD1 4.3Å; W46-L257 HydrophobicContact CH2-CB 3.95Å; W46-L257 HydrophobicContact CZ2-CB 4.31Å; W46-L257 HydrophobicContact CZ2-CD1 4.14Å; W46-L257 HydrophobicContact CZ2-CD2 4.32Å; W46-L257 HydrophobicContact CZ2-CG 4.49Å; W46-L257 HydrophobicContact CZ3-CB 3.85Å; W66-L257 HydrophobicContact CE3-CD2 4.3Å; W66-L257 HydrophobicContact CH2-CD2 4.12Å; W66-L257 HydrophobicContact CZ3-CD2 3.74Å; W232-L257 HydrophobicContact CB-CB 3.81Å; W232-L257 PolarHBondContact O-N 3.44Å; V233-L257 WeakPolarHBondContact CA-O 3.35Å; L257-I259 HydrophobicContact CD2-CD1 4.3Å; L257-I259 HydrophobicContact CD2-CG1 4.1Å; L257-I259 HydrophobicContact CG-CG1 4.03Å
258	K	86.3	Confident	84.5	Confident	108 Å²	108	34.3 Å²	34.3	47%	0.47	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	130	167.4	-173.5	179.5	-178.5	-179.5	0	108.7	T45 E47	T45-K258 PolarHBondContact N-O 2.98Å; T45-K258 PolarHBondContact O-N 2.99Å; E47-K258 WeakPolarHBondContact OE1-CD 3.36Å
259	I	83.5	Confident	84	Confident	55 Å²	55	34.3 Å²	34.3	28%	0.282	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	117.5	180	-56.8	167.9	0	0	0	106.8	F42 L44 L65 V233 L257	F42-I259 HydrophobicContact CB-CG2 3.86Å; F42-I259 HydrophobicContact CD1-CG2 3.6Å; F42-I259 HydrophobicContact CE1-CG2 4.38Å; F42-I259 HydrophobicContact CG-CG2 3.83Å; L44-I259 HydrophobicContact CD2-CB 4.28Å; L44-I259 HydrophobicContact CD2-CG1 3.9Å; L44-I259 HydrophobicContact CD2-CG2 4.07Å; L65-I259 HydrophobicContact CD1-CD1 4.5Å; L65-I259 HydrophobicContact CD2-CB 4.49Å; L65-I259 HydrophobicContact CD2-CD1 3.68Å; L65-I259 HydrophobicContact CD2-CG1 3.98Å; L65-I259 HydrophobicContact CD2-CG2 3.68Å; V233-I259 HydrophobicContact CG2-CD1 3.68Å; V233-I259 HydrophobicContact CG2-CG1 4.39Å; L257-I259 HydrophobicContact CD2-CD1 4.3Å; L257-I259 HydrophobicContact CD2-CG1 4.1Å; L257-I259 HydrophobicContact CG-CG1 4.03Å
260	T	74.5	Confident	83	Confident	53 Å²	53	36.5 Å²	36.5	33%	0.325	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	146.5	168.9	48.4	0	0	0	0	109.3	N43	N43-T260 WeakPolarHBondContact CB-OG1 3.45Å; N43-T260 PolarHBondContact N-O 2.94Å; N43-T260 PolarHBondContact O-N 3.34Å; N43-T260 PolarHBondContact O-OG1 3.22Å; N43-T260 VanDerWaalsContact O-OG1 3.08Å
261	D	63.7	Low	81.6	Confident	98 Å²	98	40.4 Å²	40.4	52%	0.524	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	140.2	175.5	-159.4	-10.7	0	0	0	109.2	G263	D261-G263 PolarHBondContact O-N 3.34Å
262	S	56.1	Low	79.5	Confident	29 Å²	29	45.1 Å²	45.1	20%	0.203	25%	0.252	C	S	.	.			trans	-71.9	10.8	-178.6	58.6	0	0	0	0	113.5	V41	V41-S262 PolarHBondContact O-OG 2.79Å; V41-S262 VanDerWaalsContact O-OG 3.1Å
263	G	59	Low	77.2	Confident	28 Å²	28	49.9 Å²	49.9	29%	0.289	28%	0.282	S	S	.	.			trans	83.3	160.5	-168.7	0	0	0	0	0	112.1	D261	D261-G263 PolarHBondContact O-N 3.34Å
264	P	62.7	Low	74.9	Confident	70 Å²	70	53.4 Å²	53.4	46%	0.455	30%	0.3	S	S	.	.			trans	-63.6	139.9	175.6	29	-35.2	0	0	0	110.3	V266 V396	P264-V266 HydrophobicContact CB-CG2 4.25Å; P264-V266 HydrophobicContact CG-CG2 4.2Å; P264-V396 HydrophobicContact CG-CB 4.06Å; P264-V396 HydrophobicContact CG-CG1 3.5Å; P264-V396 VanDerWaalsContact CG-CG1 3.5Å; P264-V396 HydrophobicContact CG-CG2 3.63Å
265	R	71.1	Confident	72.1	Confident	92 Å²	92	56.9 Å²	56.9	35%	0.347	33%	0.325	S	S	.	.			trans	-79.9	118.1	168.6	-58.2	-173.9	-176.6	176.5	-2	107.8	E379 T381	R265-E379 HydrophobicContact CB-CB 4.33Å; R265-E379 HydrophobicContact CB-CG 4.28Å; R265-E379 VanDerWaalsContact CD-CD 3.45Å; R265-E379 VanDerWaalsContact CD-OE1 3.24Å; R265-E379 WeakPolarHBondContact CD-OE1 3.06Å; R265-E379 IonicContact CZ-OE1 3.96Å; R265-E379 IonicContact CZ-OE2 2.91Å; R265-E379 IonicContact NE-OE1 3.25Å; R265-E379 IonicContact NH1-OE1 2.79Å; R265-E379 PolarHBondContact NH1-OE1 3.48Å; R265-E379 IonicContact NH1-OE2 3.82Å; R265-E379 PolarHBondContact NH1-OE2 3.06Å; R265-T381 HydrophobicContact CG-CG2 3.9Å
266	V	80.1	Confident	69	Low	11 Å²	11	64 Å²	64	7%	0.067	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	122.5	-173.1	-174.8	0	0	0	0	109.5	P264 V380 H394 V396 L397	P264-V266 HydrophobicContact CB-CG2 4.25Å; P264-V266 HydrophobicContact CG-CG2 4.2Å; V266-V380 PolarHBondContact N-O 3.05Å; V266-V380 WeakPolarHBondContact O-CA 3.5Å; V266-V380 VanDerWaalsContact O-CB 3.3Å; V266-V380 WeakPolarHBondContact O-CB 3.49Å; V266-V380 PolarHBondContact O-N 3.17Å; V266-H394 WeakPolarHBondContact CG1-CD2 3.3Å; V266-H394 VanDerWaalsContact CG1-NE2 3.26Å; V266-H394 WeakPolarHBondContact CG1-NE2 3.38Å; V266-V396 HydrophobicContact CG2-CG1 3.85Å; V266-L397 HydrophobicContact CB-CD1 3.9Å; V266-L397 HydrophobicContact CB-CD2 4.43Å; V266-L397 HydrophobicContact CB-CG 4.24Å; V266-L397 HydrophobicContact CG1-CD1 4.22Å; V266-L397 HydrophobicContact CG2-CD1 4.48Å; V266-L397 HydrophobicContact CG2-CD2 4.39Å; V266-L397 HydrophobicContact CG2-CG 4.29Å
267	P	83.3	Confident	66.1	Low	40 Å²	40	69.1 Å²	69.1	26%	0.26	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	140.4	175.7	29.9	-34.1	0	0	0	110.9	L377 S378 H394	P267-L377 CarbonylContact C-O 3.46Å; P267-L377 WeakPolarHBondContact CA-O 3.28Å; P267-S378 WeakPolarHBondContact CB-O 3.43Å; P267-H394 PolarHBondContact O-NE2 2.98Å; P267-H394 VanDerWaalsContact O-NE2 3.15Å
268	I	85	Confident	63	Low	3 Å²	3	79.8 Å²	79.8	2%	0.015	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	126.1	175.4	-65.1	176.4	0	0	0	109.7	T376 L377 V380 L397 A420 C421 Y440 V442	I268-T376 CarbonylContact O-C 3.59Å; I268-T376 WeakPolarHBondContact O-CA 3.32Å; I268-T376 WeakPolarHBondContact O-CG2 3.02Å; I268-L377 PolarHBondContact N-O 3.41Å; I268-L377 PolarHBondContact O-N 3.23Å; I268-V380 HydrophobicContact CB-CG2 4.22Å; I268-V380 HydrophobicContact CD1-CB 4.22Å; I268-V380 HydrophobicContact CD1-CG1 4.34Å; I268-V380 HydrophobicContact CD1-CG2 4Å; I268-V380 HydrophobicContact CG1-CG2 4.13Å; I268-L397 HydrophobicContact CD1-CD1 3.47Å; I268-L397 VanDerWaalsContact CD1-CD1 3.47Å; I268-L397 HydrophobicContact CG1-CD1 4.28Å; I268-A420 HydrophobicContact CB-CB 4.34Å; I268-A420 HydrophobicContact CD1-CB 4.48Å; I268-A420 HydrophobicContact CG2-CB 3.88Å; I268-A420 WeakPolarHBondContact CG2-O 3.19Å; I268-C421 WeakPolarHBondContact CG2-O 3.49Å; I268-Y440 HydrophobicContact CD1-CE2 4.45Å; I268-Y440 HydrophobicContact CG1-CE2 4.5Å; I268-V442 HydrophobicContact CD1-CB 4.05Å; I268-V442 HydrophobicContact CD1-CG2 3.61Å
269	G	84.6	Confident	60.3	Low	17 Å²	17	79.5 Å²	79.5	18%	0.175	43%	0.432	C	S	.	.	S	Bend	trans	142.4	-175.6	172.7	0	0	0	0	0	113.6	N271 C421 S422	G269-N271 VanDerWaalsContact C-N 3.28Å; G269-N271 PolarHBondContact O-N 2.96Å; G269-C421 WeakPolarHBondContact CA-O 3.14Å; G269-S422 CarbonylContact C-O 3.08Å
270	P	76.4	Confident	57.7	Low	53 Å²	53	81.8 Å²	81.8	34%	0.344	45%	0.45	S	S	.	.	S	Bend	trans	-73.1	-14.8	-167.4	26.9	-36	0	0	0	114.3	P272 T376 S422 T423	P270-P272 VanDerWaalsContact O-CD 3.24Å; P270-P272 WeakPolarHBondContact O-CD 3.42Å; P270-T376 WeakPolarHBondContact CD-OG1 3.15Å; P270-S422 WeakPolarHBondContact CA-O 2.95Å; P270-T423 WeakPolarHBondContact CD-O 3.34Å; P270-T423 WeakPolarHBondContact CG-O 3.29Å
271	N	66.8	Low	55.6	Low	85 Å²	85	84.8 Å²	84.8	46%	0.455	47%	0.473	S	S	.	.			trans	-112.7	89.2	-175.8	-68.9	-47.9	0	0	0	112.8	G269 V273 T376	G269-N271 VanDerWaalsContact C-N 3.28Å; G269-N271 PolarHBondContact O-N 2.96Å; N271-V273 PolarHBondContact O-N 2.58Å; N271-T376 WeakPolarHBondContact CB-OG1 3.44Å; N271-T376 PolarHBondContact N-OG1 3.08Å
272	P	54.7	Low	53.9	Low	99 Å²	99	91.3 Å²	91.3	64%	0.643	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-72	-10.9	-178.6	28.7	-35.1	0	0	0	114.2	P270 L274 S275	P270-P272 VanDerWaalsContact O-CD 3.24Å; P270-P272 WeakPolarHBondContact O-CD 3.42Å; P272-L274 VanDerWaalsContact C-N 3.28Å; P272-L274 PolarHBondContact O-N 2.94Å; P272-S275 PolarHBondContact O-OG 3.39Å
273	V	49.5	Very low	52.7	Low	124 Å²	124	95.8 Å²	95.8	75%	0.752	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-75.9	-10.2	-173	-174.8	0	0	0	0	113.5	N271 S275	N271-V273 PolarHBondContact O-N 2.58Å; V273-S275 PolarHBondContact O-N 3.48Å
274	L	49.9	Very low	51.2	Low	73 Å²	73	105.1 Å²	105.1	38%	0.382	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-73	-8.4	180	-70.4	170.4	0	0	0	114	P272 D276	P272-L274 VanDerWaalsContact C-N 3.28Å; P272-L274 PolarHBondContact O-N 2.94Å; L274-D276 PolarHBondContact O-N 3.43Å
275	S	40.6	Very low	49.8	Very low	74 Å²	74	107.6 Å²	107.6	52%	0.517	56%	0.561	S	S	.	*	G	3₁₀ helix	trans	-72.1	-19.4	-176.1	-54.4	0	0	0	0	115.2	P272 V273	P272-S275 PolarHBondContact O-OG 3.39Å; V273-S275 PolarHBondContact O-N 3.48Å
276	D	33.5	Very low	47.8	Very low	151 Å²	151	109.9 Å²	109.9	81%	0.807	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-116.1	6.4	-167.9	-86.9	-32.4	0	0	0	116.1	L274 R278	L274-D276 PolarHBondContact O-N 3.43Å; D276-R278 PolarHBondContact O-N 2.93Å
277	R	34.3	Very low	45.4	Very low	185 Å²	185	120.4 Å²	120.4	70%	0.698	62%	0.624	S	S	*	*			trans	-77.1	94.3	178.1	-78.2	-169.3	176.4	-171	1.1	111.4
278	R	27.9	Very low	42.8	Very low	228 Å²	228	123.4 Å²	123.4	86%	0.86	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-53.3	144.5	155.7	-80	-177.9	-174.6	171.1	3.4	109.4	D276	D276-R278 PolarHBondContact O-N 2.93Å
279	P	28.5	Very low	40.4	Very low	102 Å²	102	128.8 Å²	128.8	66%	0.662	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-53.5	135.6	174.4	2.6	-4.4	0	0	0	109.3	S281	P279-S281 PolarHBondContact O-N 2.81Å
280	P	29.9	Very low	38	Very low	103 Å²	103	133.5 Å²	133.5	67%	0.669	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-55.4	119.5	178.9	20.6	-29.5	0	0	0	108.7	R282	P280-R282 PolarHBondContact O-N 2.96Å
281	S	29.3	Very low	35.9	Very low	116 Å²	116	137.2 Å²	137.2	81%	0.811	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-55	124.7	172.9	41.4	0	0	0	0	108.8	P279	P279-S281 PolarHBondContact O-N 2.81Å
282	R	28.9	Very low	34.2	Very low	234 Å²	234	138 Å²	138	88%	0.883	75%	0.745	S	S	*	*			trans	-24.4	124.8	174.4	-128.5	177.3	-173	-174	1.4	112	P280 R284	P280-R282 PolarHBondContact O-N 2.96Å; R282-R284 PolarHBondContact O-N 3.32Å; R282-R284 VanDerWaalsContact O-N 3.12Å
283	P	31.4	Very low	33.3	Very low	123 Å²	123	141.7 Å²	141.7	80%	0.799	76%	0.759	S	S	*	*			trans	-57.2	123.8	168.8	-12.2	21.8	0	0	0	108.4
284	R	27.2	Very low	32.5	Very low	224 Å²	224	140.3 Å²	140.3	85%	0.845	76%	0.756	S	S	*	*			trans	-56.8	129.1	169.3	-171	178.2	-167.7	-158.8	3.6	107.1	R282 T286	R282-R284 PolarHBondContact O-N 3.32Å; R282-R284 VanDerWaalsContact O-N 3.12Å; R284-T286 PolarHBondContact O-N 2.02Å
285	P	32	Very low	31.7	Very low	123 Å²	123	143.6 Å²	143.6	80%	0.799	78%	0.779	S	S	*	*			trans	-63.4	108.6	177.2	22.5	-29.1	0	0	0	108.6	R287	P285-R287 PolarHBondContact O-N 2.88Å
286	T	29.1	Very low	31.3	Very low	139 Å²	139	145.6 Å²	145.6	85%	0.853	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-68.4	117.1	171.9	-19.9	0	0	0	0	107.2	R284 S288	R284-T286 PolarHBondContact O-N 2.02Å; T286-S288 PolarHBondContact O-N 2.89Å
287	R	31.4	Very low	31.1	Very low	232 Å²	232	144.5 Å²	144.5	88%	0.875	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-53.7	126.8	169.7	-176.3	175.3	172.1	-175.2	-2.6	108.3	P285	P285-R287 PolarHBondContact O-N 2.88Å
288	S	27.4	Very low	30.9	Very low	104 Å²	104	144.6 Å²	144.6	73%	0.727	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-57.1	135.4	176.6	36.9	0	0	0	0	110.9	T286	T286-S288 PolarHBondContact O-N 2.89Å
289	P	34.2	Very low	30.9	Very low	116 Å²	116	139.4 Å²	139.4	75%	0.753	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-71.7	153.3	166.5	-4.1	20.7	0	0	0	110
290	P	34.6	Very low	31	Very low	115 Å²	115	140.4 Å²	140.4	75%	0.747	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-70.4	157	175.3	31.3	-33.1	0	0	0	111.2	S292	P290-S292 PolarHBondContact O-N 2.84Å
291	P	32.1	Very low	30.8	Very low	131 Å²	131	143.4 Å²	143.4	85%	0.851	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-74.5	119.1	-172.3	29.9	-32	0	0	0	110.7
292	S	30.7	Very low	30.8	Very low	102 Å²	102	144.5 Å²	144.5	71%	0.713	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-95.2	122.9	163.7	54.6	0	0	0	0	109.5	P290 S294	P290-S292 PolarHBondContact O-N 2.84Å; S292-S294 PolarHBondContact O-N 3.23Å
293	N	36.3	Very low	30.7	Very low	176 Å²	176	140.3 Å²	140.3	94%	0.941	80%	0.803	S	S	*	*			trans	-64.1	99.7	170.8	-82.3	-14.5	0	0	0	110.2
294	S	33.6	Very low	30.9	Very low	96 Å²	96	139.8 Å²	139.8	67%	0.671	80%	0.8	S	S	*	*			trans	-144.7	118.6	157.1	56.1	0	0	0	0	108.9	S292	S292-S294 PolarHBondContact O-N 3.23Å
295	T	33	Very low	31.2	Very low	141 Å²	141	137.4 Å²	137.4	87%	0.865	80%	0.798	S	S	*	*			trans	-49.6	126.3	175.8	-19.3	0	0	0	0	110.7
296	P	32	Very low	31.5	Very low	116 Å²	116	136.3 Å²	136.3	75%	0.753	79%	0.791	S	S	*	*			trans	-85	118.3	172.9	22.3	-12.2	0	0	0	109.7	E298	P296-E298 PolarHBondContact O-N 3.48Å
297	T	28.8	Very low	32.3	Very low	129 Å²	129	132 Å²	132	79%	0.791	77%	0.766	S	S	*	*			trans	-61.9	115.7	160.4	-59.2	0	0	0	0	108.2	T299	T297-T299 PolarHBondContact O-N 2.93Å; T297-T299 VanDerWaalsContact O-N 3.09Å
298	E	29.7	Very low	33.3	Very low	187 Å²	187	124.2 Å²	124.2	87%	0.874	75%	0.745	S	S	*	*			trans	-58.2	110	176.3	-73.5	179.6	154.1	0	0	110.4	P296	P296-E298 PolarHBondContact O-N 3.48Å
299	T	28.6	Very low	34.1	Very low	119 Å²	119	124.8 Å²	124.8	73%	0.73	76%	0.756	S	S	*	*			trans	-98.9	126.2	155.1	-43	0	0	0	0	105.7	T297 L301	T297-T299 PolarHBondContact O-N 2.93Å; T297-T299 VanDerWaalsContact O-N 3.09Å; T299-L301 PolarHBondContact O-N 3.38Å
300	P	30	Very low	35.4	Very low	122 Å²	122	121.1 Å²	121.1	79%	0.792	74%	0.74	S	S	*	*			trans	-67	104.8	-177.6	-13.9	27.2	0	0	0	109.6	T302	P300-T302 PolarHBondContact O-N 2.95Å
301	L	27.5	Very low	36.9	Very low	167 Å²	167	116.3 Å²	116.3	87%	0.874	71%	0.708	S	S	*	*			trans	-69.3	111.1	162.1	-81.8	159.6	0	0	0	106.9	T299 L303	T299-L301 PolarHBondContact O-N 3.38Å; L301-L303 PolarHBondContact O-N 3.26Å; L301-L303 VanDerWaalsContact O-N 3.14Å
302	T	29.1	Very low	38.6	Very low	138 Å²	138	113.7 Å²	113.7	85%	0.847	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-51.6	118.9	168.1	-42.5	0	0	0	0	108.6	P300	P300-T302 PolarHBondContact O-N 2.95Å
303	L	27.1	Very low	40.8	Very low	147 Å²	147	112.9 Å²	112.9	77%	0.77	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-52.7	139.9	176.1	-144	82.8	0	0	0	109.6	L301 E305	L301-L303 PolarHBondContact O-N 3.26Å; L301-L303 VanDerWaalsContact O-N 3.14Å; L303-E305 PolarHBondContact O-N 3.33Å
304	P	34.6	Very low	43.2	Very low	112 Å²	112	106.3 Å²	106.3	73%	0.727	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-58	124.5	168.3	-17.2	29.3	0	0	0	108.5
305	E	33.3	Very low	45.7	Very low	174 Å²	174	101.7 Å²	101.7	81%	0.813	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-54.5	134.5	177.3	-160.3	169.7	-172	0	0	109.6	L303	L303-E305 PolarHBondContact O-N 3.33Å
306	P	38	Very low	48.3	Very low	100 Å²	100	96 Å²	96	65%	0.649	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-55.9	147.4	176.3	21.8	-31.2	0	0	0	110.1
307	P	45.9	Very low	51	Low	48 Å²	48	94.3 Å²	94.3	31%	0.312	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-55	138.1	179.9	21.6	-31.3	0	0	0	109.6	A309 F549	P307-A309 PolarHBondContact O-N 3.36Å; P307-F549 HydrophobicContact CB-CD2 4.1Å; P307-F549 HydrophobicContact CB-CE2 4.15Å; P307-F549 HydrophobicContact CG-CD1 4.4Å; P307-F549 HydrophobicContact CG-CD2 3.98Å; P307-F549 HydrophobicContact CG-CE2 4.13Å; P307-F549 HydrophobicContact CG-CG 4.11Å; P307-F549 HydrophobicContact CG-CZ 4.43Å
308	P	53.3	Low	53.9	Low	69 Å²	69	88.2 Å²	88.2	45%	0.448	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-56	135.4	179.7	19.6	-29.1	0	0	0	109.7	G310 V311	P308-G310 PolarHBondContact O-N 2.96Å; P308-V311 HydrophobicContact CG-CG2 4.09Å; P308-V311 PolarHBondContact O-N 3.3Å
309	A	43.3	Very low	56.9	Low	116 Å²	116	79.3 Å²	79.3	96%	0.959	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	115.6	177.5	0	0	0	0	0	109.9	P307	P307-A309 PolarHBondContact O-N 3.36Å
310	G	62.2	Low	59.8	Low	39 Å²	39	78.5 Å²	78.5	40%	0.402	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	125.9	-14.4	177.4	0	0	0	0	0	116.9	P308 E312 N313 R314	P308-G310 PolarHBondContact O-N 2.96Å; G310-E312 VanDerWaalsContact C-N 3.32Å; G310-E312 PolarHBondContact O-N 2.93Å; G310-N313 PolarHBondContact O-N 3.1Å; G310-R314 PolarHBondContact O-N 3Å
311	V	65	Low	62.6	Low	14 Å²	14	72.8 Å²	72.8	9%	0.085	42%	0.421	C	S	.	.	H	α-helix	trans	-58.8	-43.5	176.8	173.4	0	0	0	0	111.8	P308 R314 L315 D546	P308-V311 HydrophobicContact CG-CG2 4.09Å; P308-V311 PolarHBondContact O-N 3.3Å; V311-R314 PolarHBondContact O-N 2.75Å; V311-L315 PolarHBondContact O-N 3.38Å; V311-D546 HydrophobicContact CG1-CB 3.61Å
312	E	68.8	Low	65.5	Low	75 Å²	75	64.8 Å²	64.8	35%	0.35	38%	0.379	S	S	.	.	H	α-helix	trans	-57.3	-51.5	177.6	-174.9	-169.8	153.5	0	0	111.5	G310 R314 L316 L550 L555 R574	G310-E312 VanDerWaalsContact C-N 3.32Å; G310-E312 PolarHBondContact O-N 2.93Å; E312-R314 VanDerWaalsContact C-N 3.31Å; E312-R314 PolarHBondContact O-N 2.87Å; E312-L316 WeakPolarHBondContact O-CB 3.43Å; E312-L316 PolarHBondContact O-N 3.37Å; E312-L550 HydrophobicContact CB-CD2 4.19Å; E312-L550 HydrophobicContact CG-CD2 3.78Å; E312-L555 HydrophobicContact CG-CD1 3.52Å; E312-L555 VanDerWaalsContact OE1-CD1 3.23Å; E312-L555 WeakPolarHBondContact OE1-CD1 3.41Å; E312-R574 IonicContact OE1-CZ 2.77Å; E312-R574 IonicContact OE1-NH2 3.8Å; E312-R574 PolarHBondContact OE1-NH2 3Å
313	N	76.7	Confident	68.5	Low	86 Å²	86	58.8 Å²	58.8	46%	0.46	34%	0.341	S	S	.	.	H	α-helix	trans	-64.7	-36.2	-178.5	-68.6	-25.3	0	0	0	111.7	G310 N317	G310-N313 PolarHBondContact O-N 3.1Å; N313-N317 WeakPolarHBondContact O-CB 3.04Å; N313-N317 PolarHBondContact O-N 2.92Å; N313-N317 PolarHBondContact O-ND2 2.81Å; N313-N317 VanDerWaalsContact O-ND2 3.15Å
314	R	86.5	Confident	71.4	Confident	37 Å²	37	53.9 Å²	53.9	14%	0.14	31%	0.314	C	S	.	.	H	α-helix	trans	-62.7	-55	179.6	-170.4	-173.1	81.5	-144.8	-15.7	112.1	G310 V311 E312 L316 N317 L318 D516 D546	G310-R314 PolarHBondContact O-N 3Å; V311-R314 PolarHBondContact O-N 2.75Å; E312-R314 VanDerWaalsContact C-N 3.31Å; E312-R314 PolarHBondContact O-N 2.87Å; R314-L316 VanDerWaalsContact C-N 3.35Å; R314-N317 PolarHBondContact O-N 3.24Å; R314-L318 PolarHBondContact O-N 3.12Å; R314-L318 VanDerWaalsContact O-N 3.08Å; R314-D516 HydrophobicContact CG-CB 4.22Å; R314-D516 IonicContact CZ-OD1 2.83Å; R314-D516 IonicContact NE-OD1 3.62Å; R314-D516 PolarHBondContact NE-OD1 3.23Å; R314-D516 IonicContact NH2-OD1 3.92Å; R314-D546 IonicContact CZ-OD2 3.98Å; R314-D546 IonicContact NH2-OD2 3.71Å; R314-D546 PolarHBondContact NH2-OD2 2.79Å
315	L	87.4	Confident	73.8	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-69.7	-35.5	-177.6	-61.3	-167.2	0	0	0	111.9	V311 L318 V319 L341 D516 D546 L547 L550	V311-L315 PolarHBondContact O-N 3.38Å; L315-L318 WeakPolarHBondContact O-CB 3.28Å; L315-L318 PolarHBondContact O-N 3.49Å; L315-V319 WeakPolarHBondContact O-CG2 3.48Å; L315-V319 PolarHBondContact O-N 2.82Å; L315-V319 VanDerWaalsContact O-N 3.13Å; L315-L341 HydrophobicContact CB-CD1 4.03Å; L315-L341 HydrophobicContact CD1-CD1 4.46Å; L315-D516 WeakPolarHBondContact CD2-OD1 3.39Å; L315-D546 HydrophobicContact CD1-CB 3.9Å; L315-L547 HydrophobicContact CD1-CD2 3.78Å; L315-L550 HydrophobicContact CB-CD1 4.07Å; L315-L550 HydrophobicContact CD1-CD1 3.93Å
316	L	87.2	Confident	76.2	Confident	21 Å²	21	40.2 Å²	40.2	11%	0.11	24%	0.241	C	C	.	.	H	α-helix	trans	-64.8	-42.5	174.3	-169.1	71.9	0	0	0	111.5	E312 R314 L318 V319 K320 F565 L572 R574	E312-L316 WeakPolarHBondContact O-CB 3.43Å; E312-L316 PolarHBondContact O-N 3.37Å; R314-L316 VanDerWaalsContact C-N 3.35Å; L316-L318 VanDerWaalsContact C-N 3.3Å; L316-L318 PolarHBondContact O-N 3.15Å; L316-V319 PolarHBondContact O-N 2.94Å; L316-K320 VanDerWaalsContact O-CB 3.23Å; L316-K320 WeakPolarHBondContact O-CB 3.36Å; L316-K320 PolarHBondContact O-N 3.32Å; L316-F565 HydrophobicContact CD1-CD1 4.24Å; L316-F565 HydrophobicContact CD1-CE1 4.19Å; L316-L572 HydrophobicContact CD1-CD2 3.49Å; L316-L572 VanDerWaalsContact CD1-CD2 3.49Å; L316-L572 HydrophobicContact CD1-CG 4.49Å; L316-L572 HydrophobicContact CG-CD2 4.18Å; L316-R574 HydrophobicContact CD2-CG 4.24Å
317	N	88.9	Confident	78.5	Confident	80 Å²	80	38.2 Å²	38.2	43%	0.428	22%	0.224	S	C	.	.	H	α-helix	trans	-63	-36.6	175.7	-75.2	-19	0	0	0	112	N313 R314 K320 G321 A512	N313-N317 WeakPolarHBondContact O-CB 3.04Å; N313-N317 PolarHBondContact O-N 2.92Å; N313-N317 PolarHBondContact O-ND2 2.81Å; N313-N317 VanDerWaalsContact O-ND2 3.15Å; R314-N317 PolarHBondContact O-N 3.24Å; N317-K320 PolarHBondContact O-N 3.25Å; N317-G321 PolarHBondContact O-N 3.38Å; N317-A512 HydrophobicContact CB-CB 4.24Å
318	L	89.4	Confident	80.3	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-62.4	-47.9	175.4	-171.4	68.8	0	0	0	111.7	R314 L315 L316 G321 A322 L341 P448 L509 A512 M513	R314-L318 PolarHBondContact O-N 3.12Å; R314-L318 VanDerWaalsContact O-N 3.08Å; L315-L318 WeakPolarHBondContact O-CB 3.28Å; L315-L318 PolarHBondContact O-N 3.49Å; L316-L318 VanDerWaalsContact C-N 3.3Å; L316-L318 PolarHBondContact O-N 3.15Å; L318-G321 PolarHBondContact O-N 3.02Å; L318-A322 PolarHBondContact O-N 3.35Å; L318-L341 HydrophobicContact CD2-CD2 4.26Å; L318-P448 HydrophobicContact CD1-CB 3.92Å; L318-P448 HydrophobicContact CD1-CG 4.06Å; L318-P448 HydrophobicContact CD2-CB 4.08Å; L318-P448 HydrophobicContact CG-CB 4.17Å; L318-P448 HydrophobicContact CG-CG 4.49Å; L318-L509 HydrophobicContact CD1-CD1 4.33Å; L318-A512 HydrophobicContact CD1-CB 4.37Å; L318-M513 HydrophobicContact CD1-CB 4.36Å; L318-M513 HydrophobicContact CD1-CG 3.66Å
319	V	91.3	Very high	81.2	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-69.3	-35.5	178.2	-178.3	0	0	0	0	111.4	L315 L316 A322 Y323 L339 L341 F565 L572	L315-V319 WeakPolarHBondContact O-CG2 3.48Å; L315-V319 PolarHBondContact O-N 2.82Å; L315-V319 VanDerWaalsContact O-N 3.13Å; L316-V319 PolarHBondContact O-N 2.94Å; V319-A322 WeakPolarHBondContact O-CB 3.32Å; V319-A322 PolarHBondContact O-N 2.91Å; V319-Y323 PolarHBondContact O-N 2.91Å; V319-L339 HydrophobicContact CG1-CB 3.79Å; V319-L339 HydrophobicContact CG1-CD1 4.05Å; V319-L341 HydrophobicContact CG2-CD1 3.71Å; V319-L341 HydrophobicContact CG2-CD2 3.85Å; V319-L341 HydrophobicContact CG2-CG 3.69Å; V319-F565 HydrophobicContact CB-CD2 4.35Å; V319-F565 HydrophobicContact CG1-CB 4.04Å; V319-F565 HydrophobicContact CG1-CD2 4.02Å; V319-F565 HydrophobicContact CG1-CG 4.11Å; V319-F565 HydrophobicContact CG2-CD2 3.78Å; V319-F565 HydrophobicContact CG2-CE2 3.81Å; V319-F565 HydrophobicContact CG2-CG 4.46Å; V319-F565 HydrophobicContact CG2-CZ 4.48Å; V319-L572 HydrophobicContact CB-CD2 4.02Å; V319-L572 HydrophobicContact CG1-CD1 3.65Å; V319-L572 HydrophobicContact CG1-CD2 3.89Å; V319-L572 HydrophobicContact CG1-CG 4.46Å
320	K	90.5	Very high	82.6	Confident	103 Å²	103	34.3 Å²	34.3	45%	0.448	19%	0.185	S	C	.	.	H	α-helix	trans	-62.9	-45.7	174.7	-176.7	179	178.9	-178.8	0	111.5	L316 N317 A322 Y323 Q324 L572	L316-K320 VanDerWaalsContact O-CB 3.23Å; L316-K320 WeakPolarHBondContact O-CB 3.36Å; L316-K320 PolarHBondContact O-N 3.32Å; N317-K320 PolarHBondContact O-N 3.25Å; K320-A322 VanDerWaalsContact C-N 3.32Å; K320-A322 PolarHBondContact O-N 2.9Å; K320-Y323 PolarHBondContact O-N 2.91Å; K320-Q324 VanDerWaalsContact O-CG 3.3Å; K320-Q324 WeakPolarHBondContact O-CG 3.32Å; K320-Q324 PolarHBondContact O-N 3.36Å; K320-L572 HydrophobicContact CB-CD2 4.32Å
321	G	88.4	Confident	83.4	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-60.5	-42.3	173.8	0	0	0	0	0	111.8	N317 L318 Y323 Q324 A325	N317-G321 PolarHBondContact O-N 3.38Å; L318-G321 PolarHBondContact O-N 3.02Å; G321-Y323 PolarHBondContact O-N 3.03Å; G321-Q324 PolarHBondContact O-N 3Å; G321-A325 WeakPolarHBondContact O-CB 3.43Å; G321-A325 PolarHBondContact O-N 2.94Å
322	A	89.4	Confident	84	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.8	-43.6	176.4	0	0	0	0	0	112.1	L318 V319 K320 A325 L326 V450 L477 L509	L318-A322 PolarHBondContact O-N 3.35Å; V319-A322 WeakPolarHBondContact O-CB 3.32Å; V319-A322 PolarHBondContact O-N 2.91Å; K320-A322 VanDerWaalsContact C-N 3.32Å; K320-A322 PolarHBondContact O-N 2.9Å; A322-A325 PolarHBondContact O-N 2Å; A322-L326 WeakPolarHBondContact O-CB 3.45Å; A322-L326 PolarHBondContact O-N 2.94Å; A322-V450 HydrophobicContact CB-CB 4.4Å; A322-V450 HydrophobicContact CB-CG1 4.3Å; A322-V450 HydrophobicContact CB-CG2 4.02Å; A322-L477 HydrophobicContact CB-CD1 4.17Å; A322-L477 HydrophobicContact CB-CD2 3.5Å; A322-L477 HydrophobicContact CB-CG 4.46Å; A322-L509 HydrophobicContact CB-CD1 4.48Å
323	Y	90.8	Very high	84.5	Confident	11 Å²	11	40.9 Å²	40.9	4%	0.043	21%	0.213	C	C	.	.	H	α-helix	trans	-60.3	-47.1	173.8	170.4	-92.7	0	0	0	111.6	V319 K320 G321 A325 L326 N327 T334 A567 D568	V319-Y323 PolarHBondContact O-N 2.91Å; K320-Y323 PolarHBondContact O-N 2.91Å; G321-Y323 PolarHBondContact O-N 3.03Å; Y323-A325 PolarHBondContact O-N 2.79Å; Y323-L326 PolarHBondContact O-N 2.93Å; Y323-N327 HydrophobicContact CE1-CB 4.12Å; Y323-N327 VanDerWaalsContact O-CB 3.23Å; Y323-N327 WeakPolarHBondContact O-CB 3.38Å; Y323-N327 PolarHBondContact O-N 3.26Å; Y323-T334 HydrophobicContact CD2-CG2 4.04Å; Y323-T334 HydrophobicContact CE2-CG2 3.81Å; Y323-A567 HydrophobicContact CD2-CB 3.46Å; Y323-A567 VanDerWaalsContact CD2-CB 3.46Å; Y323-A567 HydrophobicContact CE2-CB 3.73Å; Y323-A567 HydrophobicContact CG-CB 4.34Å; Y323-D568 PolarHBondContact OH-O 2.79Å
324	Q	89.3	Confident	84.8	Confident	44 Å²	44	36.8 Å²	36.8	21%	0.206	19%	0.191	C	C	.	.	H	α-helix	trans	-63.4	-41.9	-178.6	-70.9	167.2	-38.1	0	0	111.9	K320 G321 N327 L328 Q505 Q508	K320-Q324 VanDerWaalsContact O-CG 3.3Å; K320-Q324 WeakPolarHBondContact O-CG 3.32Å; K320-Q324 PolarHBondContact O-N 3.36Å; G321-Q324 PolarHBondContact O-N 3Å; Q324-N327 PolarHBondContact O-N 2.82Å; Q324-L328 WeakPolarHBondContact O-CB 3.34Å; Q324-L328 PolarHBondContact O-N 3.05Å; Q324-L328 VanDerWaalsContact O-N 3.08Å; Q324-Q505 HydrophobicContact CB-CB 4.04Å; Q324-Q505 HydrophobicContact CB-CG 4.16Å; Q324-Q508 VanDerWaalsContact CD-OE1 3.26Å
325	A	84.8	Confident	84.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.8	-44.6	173.6	0	0	0	0	0	111.9	G321 A322 Y323 T329 L481 F506 L509	G321-A325 WeakPolarHBondContact O-CB 3.43Å; G321-A325 PolarHBondContact O-N 2.94Å; A322-A325 PolarHBondContact O-N 2Å; Y323-A325 PolarHBondContact O-N 2.79Å; A325-T329 WeakPolarHBondContact O-CG2 3.28Å; A325-T329 PolarHBondContact O-N 3.32Å; A325-T329 PolarHBondContact O-OG1 2.93Å; A325-L481 HydrophobicContact CB-CD1 4.01Å; A325-F506 HydrophobicContact CB-CD1 3.82Å; A325-F506 HydrophobicContact CB-CE1 3.49Å; A325-F506 VanDerWaalsContact CB-CE1 3.49Å; A325-F506 HydrophobicContact CB-CZ 4.17Å; A325-L509 HydrophobicContact CB-CD2 3.89Å
326	L	83.1	Confident	84.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68.4	-38.4	178.2	-173.1	63.3	0	0	0	112.4	A322 Y323 L328 T329 S330 T334 L339 Y452 L480 L481	A322-L326 WeakPolarHBondContact O-CB 3.45Å; A322-L326 PolarHBondContact O-N 2.94Å; Y323-L326 PolarHBondContact O-N 2.93Å; L326-L328 VanDerWaalsContact C-N 3.33Å; L326-T329 PolarHBondContact O-N 3Å; L326-T329 PolarHBondContact O-OG1 3.21Å; L326-S330 CarbonylContact O-C 3.51Å; L326-S330 WeakPolarHBondContact O-CA 3.13Å; L326-S330 PolarHBondContact O-N 3.29Å; L326-T334 HydrophobicContact CB-CG2 4.05Å; L326-T334 HydrophobicContact CD2-CG2 3.91Å; L326-T334 HydrophobicContact CG-CG2 3.76Å; L326-L339 HydrophobicContact CD2-CD2 4.18Å; L326-Y452 HydrophobicContact CD2-CD2 3.92Å; L326-Y452 HydrophobicContact CD2-CE2 4.29Å; L326-L480 HydrophobicContact CD1-CB 4Å; L326-L480 HydrophobicContact CD1-CD1 4.03Å; L326-L480 HydrophobicContact CD2-CD1 4.27Å; L326-L481 HydrophobicContact CD1-CD2 4.36Å
327	N	87.1	Confident	84.9	Confident	57 Å²	57	42.2 Å²	42.2	31%	0.305	22%	0.217	S	C	.	.	H	α-helix	trans	-67.3	-37.1	179.7	-169.9	40.6	0	0	0	111.5	Y323 Q324 T329 P331 T334	Y323-N327 HydrophobicContact CE1-CB 4.12Å; Y323-N327 VanDerWaalsContact O-CB 3.23Å; Y323-N327 WeakPolarHBondContact O-CB 3.38Å; Y323-N327 PolarHBondContact O-N 3.26Å; Q324-N327 PolarHBondContact O-N 2.82Å; N327-T329 VanDerWaalsContact C-N 3.33Å; N327-P331 WeakPolarHBondContact O-CD 3.34Å; N327-T334 HydrophobicContact CB-CG2 3.93Å; N327-T334 PolarHBondContact OD1-OG1 3.18Å
328	L	82.3	Confident	84.9	Confident	80 Å²	80	38.4 Å²	38.4	42%	0.419	20%	0.197	S	C	.	.	H	α-helix	trans	-65.7	-37.4	176.3	-177.9	66	0	0	0	112.1	Q324 L326 T503 F506	Q324-L328 WeakPolarHBondContact O-CB 3.34Å; Q324-L328 PolarHBondContact O-N 3.05Å; Q324-L328 VanDerWaalsContact O-N 3.08Å; L326-L328 VanDerWaalsContact C-N 3.33Å; L328-T503 HydrophobicContact CD2-CG2 4.04Å; L328-T503 WeakPolarHBondContact CD2-OG1 3.25Å; L328-F506 HydrophobicContact CD2-CD2 4.04Å; L328-F506 HydrophobicContact CD2-CE2 3.83Å
329	T	72.4	Confident	85	Confident	42 Å²	42	38.4 Å²	38.4	26%	0.258	20%	0.197	S	C	.	.	H	α-helix	trans	-97.5	-26.4	-171.7	53.1	0	0	0	0	113.7	A325 L326 N327 L481 L484 F506	A325-T329 WeakPolarHBondContact O-CG2 3.28Å; A325-T329 PolarHBondContact O-N 3.32Å; A325-T329 PolarHBondContact O-OG1 2.93Å; L326-T329 PolarHBondContact O-N 3Å; L326-T329 PolarHBondContact O-OG1 3.21Å; N327-T329 VanDerWaalsContact C-N 3.33Å; T329-L481 HydrophobicContact CG2-CD2 3.97Å; T329-L481 WeakPolarHBondContact OG1-CD2 3.34Å; T329-L484 HydrophobicContact CG2-CD1 3.34Å; T329-F506 HydrophobicContact CG2-CE2 4.2Å; T329-F506 HydrophobicContact CG2-CZ 3.79Å
330	S	72.4	Confident	85	Confident	30 Å²	30	38.4 Å²	38.4	21%	0.21	20%	0.197	C	C	.	.			trans	-150.3	68.2	-175.8	-72.3	0	0	0	0	110.6	L326 D332 K333	L326-S330 CarbonylContact O-C 3.51Å; L326-S330 WeakPolarHBondContact O-CA 3.13Å; L326-S330 PolarHBondContact O-N 3.29Å; S330-D332 PolarHBondContact O-N 2.78Å; S330-D332 VanDerWaalsContact O-N 3.13Å; S330-K333 WeakPolarHBondContact O-CB 3.34Å; S330-K333 PolarHBondContact O-N 2.91Å
331	P	80.4	Confident	84.9	Confident	61 Å²	61	33.6 Å²	33.6	40%	0.396	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-25.1	-177	24.3	-34.5	0	0	0	113.5	N327 K333 T334 Q335	N327-P331 WeakPolarHBondContact O-CD 3.34Å; P331-K333 VanDerWaalsContact C-N 3.28Å; P331-K333 PolarHBondContact O-N 3.12Å; P331-T334 WeakPolarHBondContact CA-OG1 3.47Å; P331-T334 PolarHBondContact O-N 3.39Å; P331-T334 PolarHBondContact O-OG1 3.35Å; P331-Q335 PolarHBondContact O-N 3.17Å; P331-Q335 PolarHBondContact O-NE2 3.29Å
332	D	77.8	Confident	84.6	Confident	142 Å²	142	34.5 Å²	34.5	76%	0.759	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-32	175.5	-64.1	-29.7	0	0	0	112.2	S330 T334	S330-D332 PolarHBondContact O-N 2.78Å; S330-D332 VanDerWaalsContact O-N 3.13Å; D332-T334 VanDerWaalsContact C-N 3.33Å
333	K	77.5	Confident	83.9	Confident	63 Å²	63	35.7 Å²	35.7	27%	0.274	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-19	179.5	-68	-177.1	-177.5	164.2	0	112.5	S330 P331 C337 Y452 L480	S330-K333 WeakPolarHBondContact O-CB 3.34Å; S330-K333 PolarHBondContact O-N 2.91Å; P331-K333 VanDerWaalsContact C-N 3.28Å; P331-K333 PolarHBondContact O-N 3.12Å; K333-C337 WeakPolarHBondContact O-CB 3.38Å; K333-Y452 HydrophobicContact CB-CE2 4.11Å; K333-Y452 WeakPolarHBondContact O-CE2 3.46Å; K333-Y452 PolarHBondContact O-OH 2.76Å; K333-L480 HydrophobicContact CD-CD2 3.96Å
334	T	84.8	Confident	82.8	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	1.4	-176.3	48.1	0	0	0	0	114.1	Y323 L326 N327 P331 D332 E336 D568 H569	Y323-T334 HydrophobicContact CD2-CG2 4.04Å; Y323-T334 HydrophobicContact CE2-CG2 3.81Å; L326-T334 HydrophobicContact CB-CG2 4.05Å; L326-T334 HydrophobicContact CD2-CG2 3.91Å; L326-T334 HydrophobicContact CG-CG2 3.76Å; N327-T334 HydrophobicContact CB-CG2 3.93Å; N327-T334 PolarHBondContact OD1-OG1 3.18Å; P331-T334 WeakPolarHBondContact CA-OG1 3.47Å; P331-T334 PolarHBondContact O-N 3.39Å; P331-T334 PolarHBondContact O-OG1 3.35Å; D332-T334 VanDerWaalsContact C-N 3.33Å; T334-E336 VanDerWaalsContact C-N 3.32Å; T334-E336 PolarHBondContact O-N 2.87Å; T334-D568 CarbonylContact O-C 3.54Å; T334-D568 VanDerWaalsContact O-C 3.31Å; T334-H569 PolarHBondContact O-N 3Å
335	Q	85.2	Confident	81.7	Confident	108 Å²	108	37.4 Å²	37.4	51%	0.505	21%	0.21	S	C	.	.	S	Bend	trans	-57.1	-45.4	173.7	-67.8	-61.7	-35.2	0	0	112.3	P331 D568 H569	P331-Q335 PolarHBondContact O-N 3.17Å; P331-Q335 PolarHBondContact O-NE2 3.29Å; Q335-D568 WeakPolarHBondContact O-CA 3.47Å; Q335-H569 PolarHBondContact O-N 3.17Å
336	E	87.1	Confident	80.8	Confident	64 Å²	64	38.8 Å²	38.8	30%	0.299	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	116.9	170.2	-165.7	-169.7	-174	0	0	107.8	T334 P455 Y459 Y566 R583	T334-E336 VanDerWaalsContact C-N 3.32Å; T334-E336 PolarHBondContact O-N 2.87Å; E336-P455 HydrophobicContact CB-CG 3.74Å; E336-P455 VanDerWaalsContact CD-CG 3.49Å; E336-P455 HydrophobicContact CG-CB 4.05Å; E336-P455 HydrophobicContact CG-CG 3.41Å; E336-P455 VanDerWaalsContact CG-CG 3.41Å; E336-P455 VanDerWaalsContact O-CD 3.28Å; E336-P455 WeakPolarHBondContact O-CD 3.42Å; E336-P455 WeakPolarHBondContact O-CG 3.45Å; E336-Y459 PolarHBondContact OE1-OH 3.45Å; E336-Y566 HydrophobicContact CG-CE2 3.54Å; E336-R583 IonicContact OE1-NE 2.7Å
337	C	89.4	Confident	80.6	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	166.8	179.9	67.1	0	0	0	0	113.9	K333 Y452 A567	K333-C337 WeakPolarHBondContact O-CB 3.38Å; C337-Y452 HydrophobicContact CB-CD2 4.01Å; C337-Y452 HydrophobicContact CB-CE2 3.29Å; C337-A567 PolarHBondContact N-O 2.8Å; C337-A567 PolarHBondContact O-N 3.48Å
338	W	90.4	Very high	80.4	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.6	170.7	-70.5	82.2	0	0	0	109.6	Y452 H453 V458 Y459 A557 C564 F565 Y566 L580	W338-Y452 WeakPolarHBondContact O-CA 3.21Å; W338-H453 HydrophobicContact CB-CB 4.14Å; W338-H453 PolarHBondContact N-O 3.23Å; W338-H453 PolarHBondContact O-N 3.34Å; W338-V458 HydrophobicContact CB-CG2 3.8Å; W338-V458 HydrophobicContact CD2-CB 4.32Å; W338-V458 HydrophobicContact CD2-CG1 3.94Å; W338-V458 HydrophobicContact CD2-CG2 4.15Å; W338-V458 HydrophobicContact CE3-CG1 4.45Å; W338-V458 HydrophobicContact CG-CB 4.12Å; W338-V458 HydrophobicContact CG-CG1 4.25Å; W338-V458 HydrophobicContact CG-CG2 3.59Å; W338-V458 HydrophobicContact CZ2-CG1 4.18Å; W338-Y459 HydrophobicContact CZ2-CE1 4.26Å; W338-A557 HydrophobicContact CE3-CB 4.49Å; W338-A557 HydrophobicContact CH2-CB 3.94Å; W338-A557 HydrophobicContact CZ3-CB 3.58Å; W338-C564 HydrophobicContact CE3-CB 3.65Å; W338-C564 HydrophobicContact CZ3-CB 4.23Å; W338-C564 WeakPolarHBondContact CZ3-O 3.3Å; W338-F565 CarbonylContact C-O 3.02Å; W338-F565 VanDerWaalsContact CA-O 3.3Å; W338-F565 WeakPolarHBondContact CA-O 3.33Å; W338-Y566 HydrophobicContact CD2-CD2 4.42Å; W338-Y566 AromaticContact CE2-CD2 3.77Å; W338-Y566 AromaticContact CZ2-CD2 3.92Å; W338-Y566 HydrophobicContact CZ2-CD2 3.92Å; W338-Y566 HydrophobicContact CZ2-CG 4.31Å; W338-Y566 AromaticContact NE1-CD2 3.73Å; W338-L580 HydrophobicContact CH2-CB 3.91Å; W338-L580 HydrophobicContact CH2-CD1 4.44Å; W338-L580 HydrophobicContact CH2-CD2 4.34Å; W338-L580 HydrophobicContact CH2-CG 4.46Å; W338-L580 HydrophobicContact CZ2-CB 4.1Å; W338-L580 HydrophobicContact CZ2-CD1 4.02Å; W338-L580 HydrophobicContact CZ2-CG 4.49Å
339	L	91.8	Very high	80.3	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	123.2	175.7	-64.8	-179.5	0	0	0	108.5	V319 L326 V450 T451 Y452 F565	V319-L339 HydrophobicContact CG1-CB 3.79Å; V319-L339 HydrophobicContact CG1-CD1 4.05Å; L326-L339 HydrophobicContact CD2-CD2 4.18Å; L339-V450 HydrophobicContact CB-CG1 3.72Å; L339-V450 HydrophobicContact CD2-CG1 4.14Å; L339-V450 HydrophobicContact CG-CG1 4.36Å; L339-T451 CarbonylContact C-O 3.54Å; L339-T451 WeakPolarHBondContact CA-O 3.38Å; L339-Y452 HydrophobicContact CD2-CD2 4.14Å; L339-F565 PolarHBondContact N-O 3.31Å; L339-F565 WeakPolarHBondContact O-CD2 3.3Å; L339-F565 PolarHBondContact O-N 3.3Å
340	C	89.8	Confident	80.8	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	137.3	-170.6	-47.2	0	0	0	0	112.9	V450 T451 H453 E562 C563 C564	C340-V450 CarbonylContact O-C 3.55Å; C340-V450 VanDerWaalsContact O-CA 3.31Å; C340-V450 WeakPolarHBondContact O-CA 3.46Å; C340-T451 WeakPolarHBondContact CB-OG1 3.17Å; C340-T451 PolarHBondContact N-O 2.95Å; C340-T451 PolarHBondContact O-N 2.72Å; C340-T451 PolarHBondContact O-OG1 3.47Å; C340-H453 PolarHBondContact SG-CD2 2.94Å; C340-E562 HydrophobicContact CB-CB 3.86Å; C340-C563 WeakPolarHBondContact CA-O 3.45Å; C340-C564 HydrophobicContact CB-CB 3.95Å; C340-C564 WeakPolarHBondContact CB-SG 3.48Å; C340-C564 WeakPolarHBondContact SG-CA 3.01Å; C340-C564 WeakPolarHBondContact SG-CB 2.94Å; C340-C564 CovalentContact SG-SG 2.01Å; C340-C564 PolarHBondContact SG-SG 3.42Å
341	L	88.2	Confident	81.3	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	134.2	173.3	-64.6	178.7	0	0	0	109.9	L315 L318 V319 V450 L547 E562 C563 F565	L315-L341 HydrophobicContact CB-CD1 4.03Å; L315-L341 HydrophobicContact CD1-CD1 4.46Å; L318-L341 HydrophobicContact CD2-CD2 4.26Å; V319-L341 HydrophobicContact CG2-CD1 3.71Å; V319-L341 HydrophobicContact CG2-CD2 3.85Å; V319-L341 HydrophobicContact CG2-CG 3.69Å; L341-V450 HydrophobicContact CD2-CG2 3.88Å; L341-L547 HydrophobicContact CB-CD1 4.22Å; L341-L547 HydrophobicContact CB-CD2 3.94Å; L341-L547 HydrophobicContact CD1-CD2 3.96Å; L341-E562 CarbonylContact O-C 3.54Å; L341-E562 WeakPolarHBondContact O-CA 3.46Å; L341-C563 PolarHBondContact N-O 3.37Å; L341-C563 PolarHBondContact O-N 3.49Å; L341-F565 HydrophobicContact CD1-CE2 3.9Å; L341-F565 HydrophobicContact CD1-CZ 4.38Å; L341-F565 HydrophobicContact CG-CE2 4.08Å
342	V	81.8	Confident	81.4	Confident	21 Å²	21	31.2 Å²	31.2	13%	0.127	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	141.1	174.3	-64.5	0	0	0	0	111.5	P346 Y347 R449 R543 E562	V342-P346 WeakPolarHBondContact CG2-O 3.45Å; V342-Y347 HydrophobicContact CG2-CD1 4.34Å; V342-R449 HydrophobicContact CG2-CB 4.05Å; V342-R543 WeakPolarHBondContact O-CG 3.46Å; V342-E562 HydrophobicContact CG1-CG 4.26Å
343	S	74.7	Confident	81.6	Confident	24 Å²	24	24.6 Å²	24.6	17%	0.168	13%	0.134	C	C	.	.	S	Bend	trans	-81.7	-26.2	-179.2	58.8	0	0	0	0	114.6	G544 E561	S343-G544 PolarHBondContact O-N 3.02Å; S343-G544 VanDerWaalsContact O-N 3.12Å; S343-E561 WeakPolarHBondContact CB-O 3.21Å; S343-E561 PolarHBondContact N-O 3.31Å; S343-E561 PolarHBondContact OG-O 3.5Å
344	G	68.1	Low	81.4	Confident	21 Å²	21	23.2 Å²	23.2	22%	0.216	13%	0.13	C	C	.	.	S	Bend	trans	-111.1	156.8	176.9	0	0	0	0	0	112.7	Y347	G344-Y347 WeakPolarHBondContact O-CE1 3.28Å
345	P	65.8	Low	80.8	Confident	71 Å²	71	24 Å²	24	46%	0.461	14%	0.137	S	C	.	.	S	Bend	trans	-65.5	155.6	175.1	29.1	-34	0	0	0	111.5	Y347	P345-Y347 HydrophobicContact CB-CE1 4.49Å; P345-Y347 HydrophobicContact CB-CE2 4.23Å
346	P	67.9	Low	80.4	Confident	28 Å²	28	24 Å²	24	18%	0.182	15%	0.145	C	C	.	.			cis	-70.5	145	0.4	24.8	-32.8	0	0	0	113.6	V342 S378 R449	V342-P346 WeakPolarHBondContact CG2-O 3.45Å; P346-S378 WeakPolarHBondContact CB-OG 3.15Å; P346-S378 WeakPolarHBondContact CG-OG 3.38Å; P346-R449 WeakPolarHBondContact O-CD 3.42Å
347	Y	77.7	Confident	80.3	Confident	34 Å²	34	23.4 Å²	23.4	13%	0.133	14%	0.14	C	C	.	.			trans	-94.8	-16.9	171.8	-52.5	-52.1	0	0	0	112.6	V342 G344 P345 R449 V520 R543	V342-Y347 HydrophobicContact CG2-CD1 4.34Å; G344-Y347 WeakPolarHBondContact O-CE1 3.28Å; P345-Y347 HydrophobicContact CB-CE1 4.49Å; P345-Y347 HydrophobicContact CB-CE2 4.23Å; Y347-R449 PolarHBondContact O-N 3.44Å; Y347-V520 HydrophobicContact CD2-CG1 4.34Å; Y347-V520 HydrophobicContact CD2-CG2 4.31Å; Y347-R543 HydrophobicContact CD1-CB 4.14Å; Y347-R543 HydrophobicContact CD1-CG 3.88Å; Y347-R543 HydrophobicContact CE1-CB 3.32Å; Y347-R543 HydrophobicContact CE1-CG 3.48Å; Y347-R543 VanDerWaalsContact CE1-CG 3.48Å; Y347-R543 HydrophobicContact CE2-CB 4.13Å; Y347-R543 VanDerWaalsContact OH-CB 3.28Å; Y347-R543 WeakPolarHBondContact OH-CB 3.27Å
348	Y	82.3	Confident	80	Confident	13 Å²	13	26.5 Å²	26.5	5%	0.051	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	142.8	-178.8	-69.6	-91.8	0	0	0	110.4	W447 P448 M513 D516 L517	Y348-W447 CarbonylContact C-O 3.55Å; Y348-W447 VanDerWaalsContact CA-O 3.29Å; Y348-W447 WeakPolarHBondContact CA-O 3.39Å; Y348-P448 HydrophobicContact CD1-CB 4.31Å; Y348-P448 HydrophobicContact CE1-CB 3.95Å; Y348-M513 HydrophobicContact CD1-CE 4.26Å; Y348-M513 HydrophobicContact CE1-CB 4Å; Y348-M513 HydrophobicContact CE1-CE 4.07Å; Y348-M513 HydrophobicContact CE1-CG 3.98Å; Y348-M513 PolarHBondContact OH-O 2.76Å; Y348-D516 VanDerWaalsContact OH-CB 3.3Å; Y348-D516 WeakPolarHBondContact OH-CB 3.46Å; Y348-D516 PolarHBondContact OH-OD2 3.46Å; Y348-L517 HydrophobicContact CD1-CD2 4.32Å; Y348-L517 HydrophobicContact CD2-CD2 3.52Å; Y348-L517 HydrophobicContact CD2-CG 4.29Å; Y348-L517 HydrophobicContact CE1-CD1 4.34Å; Y348-L517 HydrophobicContact CE1-CD2 4.27Å; Y348-L517 HydrophobicContact CE1-CG 4.09Å; Y348-L517 HydrophobicContact CE2-CD2 3.5Å; Y348-L517 VanDerWaalsContact CE2-CD2 3.5Å; Y348-L517 HydrophobicContact CE2-CG 3.84Å; Y348-L517 HydrophobicContact CG-CD2 3.98Å
349	E	81.5	Confident	79.8	Confident	20 Å²	20	31.4 Å²	31.4	9%	0.093	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	138	171.9	-77.8	167.4	-172.4	0	0	108.9	W447 R449 T476	E349-W447 PolarHBondContact N-O 3.27Å; E349-W447 PolarHBondContact O-N 3.38Å; E349-R449 HydrophobicContact CG-CG 3.69Å; E349-R449 IonicContact OE1-CZ 2.88Å; E349-R449 IonicContact OE1-NE 3.63Å; E349-R449 PolarHBondContact OE1-NE 3.32Å; E349-R449 IonicContact OE1-NH2 3.97Å; E349-R449 PolarHBondContact OE1-NH2 3.42Å; E349-R449 VanDerWaalsContact OE1-NH2 3.13Å; E349-T476 WeakPolarHBondContact OE1-CG2 3.22Å; E349-T476 WeakPolarHBondContact OE2-CB 3.29Å; E349-T476 PolarHBondContact OE2-OG1 2.93Å
350	G	82.1	Confident	79.4	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	134.4	174.4	0	0	0	0	0	112	E379 V380 T381	G350-E379 PolarHBondContact N-O 3.12Å; G350-E379 VanDerWaalsContact N-O 3.07Å; G350-V380 CarbonylContact O-C 3.51Å; G350-V380 VanDerWaalsContact O-CA 3.31Å; G350-V380 WeakPolarHBondContact O-CA 3.42Å; G350-T381 PolarHBondContact O-N 2.69Å; G350-T381 PolarHBondContact O-OG1 3.44Å
351	V	82.1	Confident	79	Confident	39 Å²	39	41 Å²	41	24%	0.236	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	116.8	170.7	-176.8	0	0	0	0	108.4	V353 T381 V444 E445	V351-V353 PolarHBondContact O-N 3.07Å; V351-T381 CarbonylContact C-O 3.55Å; V351-T381 WeakPolarHBondContact CA-O 3.26Å; V351-V444 CarbonylContact O-C 3.54Å; V351-V444 VanDerWaalsContact O-CA 3.28Å; V351-V444 WeakPolarHBondContact O-CA 3.47Å; V351-E445 PolarHBondContact N-O 2.96Å; V351-E445 PolarHBondContact O-N 3.24Å
352	A	83.4	Confident	78.5	Confident	5 Å²	5	45 Å²	45	4%	0.041	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	129.5	175.2	0	0	0	0	0	109.7	V380 T381 V442 L443	A352-V380 HydrophobicContact CB-CG1 4.43Å; A352-T381 PolarHBondContact N-O 3.07Å; A352-V442 HydrophobicContact CB-CG1 3.84Å; A352-L443 WeakPolarHBondContact CA-O 3.38Å
353	V	81.3	Confident	78.1	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.024	28%	0.278	C	S	.	.			trans	-125.4	149.8	-176.5	-66.2	0	0	0	0	110.5	V351 G384 L385 T417 L443 E445 T485	V351-V353 PolarHBondContact O-N 3.07Å; V353-G384 CarbonylContact O-C 3.48Å; V353-G384 WeakPolarHBondContact O-CA 3.01Å; V353-L385 PolarHBondContact O-N 3.38Å; V353-T417 HydrophobicContact CG2-CG2 4.09Å; V353-L443 HydrophobicContact CG2-CD2 4.22Å; V353-L443 HydrophobicContact CG2-CG 4.05Å; V353-L443 PolarHBondContact N-O 3.34Å; V353-E445 HydrophobicContact CG1-CB 4Å; V353-T485 HydrophobicContact CG1-CG2 3.98Å
354	L	75	Confident	78.1	Confident	34 Å²	34	46 Å²	46	18%	0.178	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-72.9	157.2	161.7	-66.1	167.9	0	0	0	107.9	N399 G488 I489 A491	L354-N399 HydrophobicContact CD2-CB 4.06Å; L354-G488 CarbonylContact O-C 3.52Å; L354-G488 WeakPolarHBondContact O-CA 3.19Å; L354-I489 WeakPolarHBondContact CA-O 3.41Å; L354-I489 HydrophobicContact CB-CB 3.97Å; L354-I489 HydrophobicContact CB-CG2 4.45Å; L354-I489 VanDerWaalsContact CB-O 3.26Å; L354-I489 WeakPolarHBondContact CB-O 3.21Å; L354-I489 PolarHBondContact N-O 2.81Å; L354-I489 PolarHBondContact O-N 3.42Å; L354-A491 HydrophobicContact CD1-CB 3.41Å; L354-A491 VanDerWaalsContact CD1-CB 3.41Å; L354-A491 HydrophobicContact CD2-CB 4.42Å; L354-A491 HydrophobicContact CG-CB 3.47Å; L354-A491 VanDerWaalsContact CG-CB 3.47Å
355	G	72.2	Confident	78.1	Confident	15 Å²	15	48.7 Å²	48.7	16%	0.155	30%	0.3	C	S	.	.			trans	177.6	168.8	178.8	0	0	0	0	0	111	L385	G355-L385 WeakPolarHBondContact O-CD2 3.46Å
356	T	76.9	Confident	78.1	Confident	108 Å²	108	51.5 Å²	51.5	66%	0.663	31%	0.311	S	S	*	.			trans	-100.7	161.7	167	54.7	0	0	0	0	109	P414	T356-P414 WeakPolarHBondContact O-CD 3.43Å; T356-P414 WeakPolarHBondContact O-CG 3.33Å
357	Y	83.6	Confident	78.2	Confident	52 Å²	52	51.4 Å²	51.4	20%	0.204	31%	0.311	C	S	.	.			trans	-128.6	159.9	174.7	52.6	-99.4	0	0	0	109.6	N359 L385 I387 Q402 L411 A412 W419	Y357-N359 WeakPolarHBondContact CD2-OD1 3.38Å; Y357-N359 WeakPolarHBondContact CE2-OD1 3.39Å; Y357-L385 HydrophobicContact CD1-CD2 3.66Å; Y357-L385 HydrophobicContact CE1-CD2 3.84Å; Y357-I387 HydrophobicContact CD1-CD1 4.06Å; Y357-I387 HydrophobicContact CE1-CD1 3.7Å; Y357-Q402 PolarHBondContact OH-OE1 2.87Å; Y357-L411 HydrophobicContact CD2-CB 4.3Å; Y357-L411 HydrophobicContact CD2-CD2 3.61Å; Y357-L411 HydrophobicContact CD2-CG 4.39Å; Y357-L411 HydrophobicContact CE2-CD1 4.31Å; Y357-L411 HydrophobicContact CE2-CD2 3.42Å; Y357-L411 VanDerWaalsContact CE2-CD2 3.42Å; Y357-L411 HydrophobicContact CE2-CG 4.37Å; Y357-A412 WeakPolarHBondContact CB-O 2.99Å; Y357-W419 HydrophobicContact CD1-CH2 4.09Å; Y357-W419 HydrophobicContact CD1-CZ2 4.09Å; Y357-W419 HydrophobicContact CG-CZ2 4.18Å
358	S	84.3	Confident	77.2	Confident	65 Å²	65	53.5 Å²	53.5	46%	0.455	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	131.8	178.7	-64.3	0	0	0	0	110.5	H360 A412	S358-H360 WeakPolarHBondContact CB-NE2 3.36Å; S358-H360 PolarHBondContact O-CD2 3.46Å; S358-A412 PolarHBondContact N-O 2.77Å; S358-A412 PolarHBondContact O-N 3.02Å
359	N	86.4	Confident	75.8	Confident	103 Å²	103	57.9 Å²	57.9	55%	0.551	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	128.8	176.5	-67.8	-16	0	0	0	110.3	Y357 Y409 Y410 L411	Y357-N359 WeakPolarHBondContact CD2-OD1 3.38Å; Y357-N359 WeakPolarHBondContact CE2-OD1 3.39Å; N359-Y409 HydrophobicContact CB-CD2 4.47Å; N359-Y410 WeakPolarHBondContact CA-O 3.49Å; N359-L411 WeakPolarHBondContact OD1-CD2 3.32Å
360	H	82.3	Confident	74.1	Confident	73 Å²	73	61.4 Å²	61.4	34%	0.338	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	130.3	177.7	-64.2	-90.4	0	0	0	110.7	S358 S362 P364 Y409 Y410	S358-H360 WeakPolarHBondContact CB-NE2 3.36Å; S358-H360 PolarHBondContact O-CD2 3.46Å; H360-S362 WeakPolarHBondContact CB-O 3.38Å; H360-P364 HydrophobicContact CB-CG 3.92Å; H360-Y409 CarbonylContact O-C 3.48Å; H360-Y409 WeakPolarHBondContact O-CA 3.28Å; H360-Y409 WeakPolarHBondContact O-CB 3.12Å; H360-Y410 PolarHBondContact N-O 3.24Å; H360-Y410 PolarHBondContact O-N 3Å
361	T	81.4	Confident	72.6	Confident	130 Å²	130	62.7 Å²	62.7	80%	0.798	40%	0.399	S	S	*	.	S	Bend	trans	-76	-28.2	178.6	46.9	0	0	0	0	112.8
362	S	78.3	Confident	71.3	Confident	84 Å²	84	65.5 Å²	65.5	59%	0.587	41%	0.41	S	S	*	.	S	Bend	trans	-112.8	151.6	170.6	58	0	0	0	0	110.1	H360 P364	H360-S362 WeakPolarHBondContact CB-O 3.38Å; S362-P364 WeakPolarHBondContact O-CD 3.33Å
363	A	72.4	Confident	70.3	Confident	36 Å²	36	69.3 Å²	69.3	30%	0.298	43%	0.427	S	S	.	.			trans	-63.1	116	178.7	0	0	0	0	0	110.2	C367 Y410	A363-C367 HydrophobicContact CB-CB 4.5Å; A363-Y410 HydrophobicContact CB-CD1 4.37Å; A363-Y410 HydrophobicContact CB-CD2 4.14Å; A363-Y410 HydrophobicContact CB-CE1 4Å; A363-Y410 HydrophobicContact CB-CE2 3.77Å; A363-Y410 HydrophobicContact CB-CG 4.43Å
364	P	75.1	Confident	69.8	Low	31 Å²	31	71.1 Å²	71.1	20%	0.201	43%	0.434	C	S	.	.			trans	-54.1	153.4	170.5	-22.2	28.7	0	0	0	111.7	H360 S362 N366 C367 S368	H360-P364 HydrophobicContact CB-CG 3.92Å; S362-P364 WeakPolarHBondContact O-CD 3.33Å; P364-N366 PolarHBondContact O-N 2.94Å; P364-N366 VanDerWaalsContact O-N 3.12Å; P364-C367 VanDerWaalsContact CB-SG 3.58Å; P364-C367 WeakPolarHBondContact CD-SG 3.22Å; P364-C367 WeakPolarHBondContact CG-SG 3.41Å; P364-C367 WeakPolarHBondContact O-CA 3.4Å; P364-C367 WeakPolarHBondContact O-CB 3.42Å; P364-C367 PolarHBondContact O-N 3.07Å; P364-S368 PolarHBondContact O-N 2.89Å; P364-S368 VanDerWaalsContact O-N 3.17Å; P364-S368 PolarHBondContact O-OG 2.86Å
365	A	68.8	Low	69.9	Low	78 Å²	78	70.7 Å²	70.7	65%	0.645	43%	0.432	S	S	*	.	H	α-helix	trans	-54.1	-35.1	-179.9	0	0	0	0	0	113	C367 S368	A365-C367 PolarHBondContact O-N 2.9Å; A365-S368 WeakPolarHBondContact CA-OG 3.49Å; A365-S368 PolarHBondContact O-N 3.42Å
366	N	65.8	Low	70.2	Confident	130 Å²	130	71.1 Å²	71.1	70%	0.695	43%	0.432	S	S	*	.	H	α-helix	trans	-68.5	-16.5	176	-67.4	-7.1	0	0	0	113.6	P364 P427	P364-N366 PolarHBondContact O-N 2.94Å; P364-N366 VanDerWaalsContact O-N 3.12Å; N366-P427 VanDerWaalsContact O-CG 3.28Å; N366-P427 WeakPolarHBondContact O-CG 3.49Å
367	C	70.2	Confident	70.4	Confident	26 Å²	26	66.3 Å²	66.3	18%	0.176	40%	0.402	C	S	.	.	H	α-helix	trans	-100.2	-17.1	177.5	-37.4	0	0	0	0	112.4	A363 P364 A365 C428	A363-C367 HydrophobicContact CB-CB 4.5Å; P364-C367 VanDerWaalsContact CB-SG 3.58Å; P364-C367 WeakPolarHBondContact CD-SG 3.22Å; P364-C367 WeakPolarHBondContact CG-SG 3.41Å; P364-C367 WeakPolarHBondContact O-CA 3.4Å; P364-C367 WeakPolarHBondContact O-CB 3.42Å; P364-C367 PolarHBondContact O-N 3.07Å; A365-C367 PolarHBondContact O-N 2.9Å; C367-C428 HydrophobicContact CB-CB 3.62Å; C367-C428 WeakPolarHBondContact CB-SG 3.45Å; C367-C428 WeakPolarHBondContact SG-CB 3.18Å; C367-C428 CovalentContact SG-SG 2Å; C367-C428 PolarHBondContact SG-SG 3.31Å
368	S	55.8	Low	69.9	Low	77 Å²	77	64.9 Å²	64.9	54%	0.538	40%	0.4	S	S	.	.	H	α-helix	trans	-85.4	-18.8	-176.2	-19.9	0	0	0	0	113.4	P364 A365 A370	P364-S368 PolarHBondContact O-N 2.89Å; P364-S368 VanDerWaalsContact O-N 3.17Å; P364-S368 PolarHBondContact O-OG 2.86Å; A365-S368 WeakPolarHBondContact CA-OG 3.49Å; A365-S368 PolarHBondContact O-N 3.42Å; S368-A370 PolarHBondContact O-N 2.56Å; S368-A370 VanDerWaalsContact O-N 3.11Å
369	V	53.7	Low	69.6	Low	106 Å²	106	63.8 Å²	63.8	64%	0.642	39%	0.387	S	S	*	.	S	Bend	trans	-68.3	110.3	167.6	-175.9	0	0	0	0	105.5	S371	V369-S371 PolarHBondContact O-N 2.88Å; V369-S371 PolarHBondContact O-OG 3.21Å; V369-S371 VanDerWaalsContact O-OG 3.04Å
370	A	44.5	Very low	69.3	Low	93 Å²	93	58.9 Å²	58.9	77%	0.769	36%	0.361	S	S	*	.			trans	-56.7	75.7	174.9	0	0	0	0	0	110.2	S368 Q372	S368-A370 PolarHBondContact O-N 2.56Å; S368-A370 VanDerWaalsContact O-N 3.11Å; A370-Q372 PolarHBondContact O-N 3.36Å; A370-Q372 VanDerWaalsContact O-N 3.1Å
371	S	50.8	Low	69.1	Low	28 Å²	28	57.1 Å²	57.1	20%	0.196	36%	0.356	C	S	.	.			trans	-71.5	102.1	169.6	19.9	0	0	0	0	102.7	V369 H373	V369-S371 PolarHBondContact O-N 2.88Å; V369-S371 PolarHBondContact O-OG 3.21Å; V369-S371 VanDerWaalsContact O-OG 3.04Å; S371-H373 VanDerWaalsContact C-N 3.33Å; S371-H373 PolarHBondContact O-N 3.02Å
372	Q	55	Low	68.8	Low	97 Å²	97	52.5 Å²	52.5	45%	0.453	33%	0.334	S	S	.	.			trans	-65.1	107.1	176.8	-67.6	-179.7	-24.6	0	0	104.4	A370 K374 E521	A370-Q372 PolarHBondContact O-N 3.36Å; A370-Q372 VanDerWaalsContact O-N 3.1Å; Q372-K374 HydrophobicContact CB-CD 3.7Å; Q372-K374 HydrophobicContact CB-CG 3.92Å; Q372-K374 VanDerWaalsContact O-CB 3.27Å; Q372-K374 WeakPolarHBondContact O-CB 3.5Å; Q372-K374 VanDerWaalsContact O-CG 3.31Å; Q372-K374 WeakPolarHBondContact O-CG 3.41Å; Q372-K374 PolarHBondContact O-N 3.48Å; Q372-K374 VanDerWaalsContact OE1-CE 3.25Å; Q372-E521 PolarHBondContact N-OE1 3.07Å
373	H	63.4	Low	69	Low	85 Å²	85	53.1 Å²	53.1	39%	0.394	33%	0.327	S	S	.	.	S	Bend	trans	-54.3	85	180	-49.8	-67.8	0	0	0	109.7	S371 T423 T426	S371-H373 VanDerWaalsContact C-N 3.33Å; S371-H373 PolarHBondContact O-N 3.02Å; H373-T423 CarbonylContact C-O 3.24Å; H373-T423 VanDerWaalsContact C-O 3.24Å; H373-T423 WeakPolarHBondContact CB-O 3.1Å; H373-T426 PolarHBondContact CE1-OG1 3.25Å
374	K	69.1	Low	69.6	Low	43 Å²	43	51.4 Å²	51.4	19%	0.187	31%	0.313	C	S	.	.			trans	-127.9	-18	-167.9	-75	-178.6	173.7	-175.3	0	112.8	Q372 T376 E528	Q372-K374 HydrophobicContact CB-CD 3.7Å; Q372-K374 HydrophobicContact CB-CG 3.92Å; Q372-K374 VanDerWaalsContact O-CB 3.27Å; Q372-K374 WeakPolarHBondContact O-CB 3.5Å; Q372-K374 VanDerWaalsContact O-CG 3.31Å; Q372-K374 WeakPolarHBondContact O-CG 3.41Å; Q372-K374 PolarHBondContact O-N 3.48Å; Q372-K374 VanDerWaalsContact OE1-CE 3.25Å; K374-T376 PolarHBondContact O-N 3.14Å; K374-E528 WeakPolarHBondContact CE-OE2 2.82Å; K374-E528 IonicContact NZ-OE1 3.91Å; K374-E528 IonicContact NZ-OE2 3Å; K374-E528 PolarHBondContact NZ-OE2 3.35Å
375	L	77.1	Confident	70.2	Confident	24 Å²	24	50.1 Å²	50.1	13%	0.126	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-80.8	121	178.8	-65.5	176.7	0	0	0	110.3	G424 L425 L517 V520 E521 I524	L375-G424 WeakPolarHBondContact O-CA 3.24Å; L375-L425 HydrophobicContact CB-CB 4.34Å; L375-L425 HydrophobicContact CB-CD1 3.87Å; L375-L425 HydrophobicContact CB-CG 4.26Å; L375-L425 HydrophobicContact CD1-CD1 4.35Å; L375-L425 PolarHBondContact O-N 3.35Å; L375-L517 HydrophobicContact CD1-CD2 3.97Å; L375-V520 HydrophobicContact CD2-CG1 3.98Å; L375-E521 HydrophobicContact CD1-CB 4.34Å; L375-E521 HydrophobicContact CG-CB 4.47Å; L375-I524 HydrophobicContact CD2-CD1 3.52Å
376	T	79.3	Confident	71.3	Confident	25 Å²	25	46.4 Å²	46.4	15%	0.153	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-99.3	129.1	171.3	-56	0	0	0	0	109	I268 P270 N271 K374	I268-T376 CarbonylContact O-C 3.59Å; I268-T376 WeakPolarHBondContact O-CA 3.32Å; I268-T376 WeakPolarHBondContact O-CG2 3.02Å; P270-T376 WeakPolarHBondContact CD-OG1 3.15Å; N271-T376 WeakPolarHBondContact CB-OG1 3.44Å; N271-T376 PolarHBondContact N-OG1 3.08Å; K374-T376 PolarHBondContact O-N 3.14Å
377	L	81.5	Confident	72.5	Confident	6 Å²	6	40.2 Å²	40.2	3%	0.031	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	118.1	165.9	-67.6	-179.7	0	0	0	108.2	P267 I268 E379 V380 A420 L425 V444 L446	P267-L377 CarbonylContact C-O 3.46Å; P267-L377 WeakPolarHBondContact CA-O 3.28Å; I268-L377 PolarHBondContact N-O 3.41Å; I268-L377 PolarHBondContact O-N 3.23Å; L377-E379 VanDerWaalsContact C-N 3.28Å; L377-V380 HydrophobicContact CB-CG2 3.76Å; L377-V380 HydrophobicContact CD1-CG2 3.71Å; L377-V380 HydrophobicContact CG-CG2 4.42Å; L377-A420 HydrophobicContact CD1-CB 3.97Å; L377-L425 HydrophobicContact CD1-CD2 3.75Å; L377-L425 HydrophobicContact CD2-CD1 3.98Å; L377-L425 HydrophobicContact CD2-CD2 4.47Å; L377-L425 HydrophobicContact CG-CD1 4.16Å; L377-L425 HydrophobicContact CG-CD2 3.91Å; L377-L425 HydrophobicContact CG-CG 4.29Å; L377-V444 HydrophobicContact CD1-CG2 4.15Å; L377-L446 HydrophobicContact CD1-CD2 3.84Å; L377-L446 HydrophobicContact CD2-CD2 3.74Å; L377-L446 HydrophobicContact CG-CD2 4.38Å
378	S	73.7	Confident	73.4	Confident	23 Å²	23	40 Å²	40	16%	0.161	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	-19.7	178.8	67.8	0	0	0	0	112.9	P267 P346	P267-S378 WeakPolarHBondContact CB-O 3.43Å; P346-S378 WeakPolarHBondContact CB-OG 3.15Å; P346-S378 WeakPolarHBondContact CG-OG 3.38Å
379	E	76.6	Confident	74.9	Confident	41 Å²	41	39 Å²	39	19%	0.192	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	112.5	179.6	-61.9	-171.3	147.8	0	0	109.7	R265 G350 L377 R449	R265-E379 HydrophobicContact CB-CB 4.33Å; R265-E379 HydrophobicContact CB-CG 4.28Å; R265-E379 VanDerWaalsContact CD-CD 3.45Å; R265-E379 VanDerWaalsContact CD-OE1 3.24Å; R265-E379 WeakPolarHBondContact CD-OE1 3.06Å; R265-E379 IonicContact CZ-OE1 3.96Å; R265-E379 IonicContact CZ-OE2 2.91Å; R265-E379 IonicContact NE-OE1 3.25Å; R265-E379 IonicContact NH1-OE1 2.79Å; R265-E379 PolarHBondContact NH1-OE1 3.48Å; R265-E379 IonicContact NH1-OE2 3.82Å; R265-E379 PolarHBondContact NH1-OE2 3.06Å; G350-E379 PolarHBondContact N-O 3.12Å; G350-E379 VanDerWaalsContact N-O 3.07Å; L377-E379 VanDerWaalsContact C-N 3.28Å; E379-R449 IonicContact OE2-NH2 2.71Å
380	V	80.3	Confident	76.6	Confident	0 Å²	0	35 Å²	35	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	136.2	165.7	-173.5	0	0	0	0	109	V266 I268 G350 A352 L377 L397 V444	V266-V380 PolarHBondContact N-O 3.05Å; V266-V380 WeakPolarHBondContact O-CA 3.5Å; V266-V380 VanDerWaalsContact O-CB 3.3Å; V266-V380 WeakPolarHBondContact O-CB 3.49Å; V266-V380 PolarHBondContact O-N 3.17Å; I268-V380 HydrophobicContact CB-CG2 4.22Å; I268-V380 HydrophobicContact CD1-CB 4.22Å; I268-V380 HydrophobicContact CD1-CG1 4.34Å; I268-V380 HydrophobicContact CD1-CG2 4Å; I268-V380 HydrophobicContact CG1-CG2 4.13Å; G350-V380 CarbonylContact O-C 3.51Å; G350-V380 VanDerWaalsContact O-CA 3.31Å; G350-V380 WeakPolarHBondContact O-CA 3.42Å; A352-V380 HydrophobicContact CB-CG1 4.43Å; L377-V380 HydrophobicContact CB-CG2 3.76Å; L377-V380 HydrophobicContact CD1-CG2 3.71Å; L377-V380 HydrophobicContact CG-CG2 4.42Å; V380-L397 HydrophobicContact CB-CD1 4.09Å; V380-L397 HydrophobicContact CB-CD2 4.48Å; V380-L397 HydrophobicContact CG1-CD1 3.97Å; V380-L397 HydrophobicContact CG1-CD2 4.15Å; V380-V444 HydrophobicContact CG1-CG1 3.86Å
381	T	78.4	Confident	78.6	Confident	37 Å²	37	32.8 Å²	32.8	23%	0.227	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	168.5	-176.4	56.1	0	0	0	0	111	R265 G350 V351 A352	R265-T381 HydrophobicContact CG-CG2 3.9Å; G350-T381 PolarHBondContact O-N 2.69Å; G350-T381 PolarHBondContact O-OG1 3.44Å; V351-T381 CarbonylContact C-O 3.55Å; V351-T381 WeakPolarHBondContact CA-O 3.26Å; A352-T381 PolarHBondContact N-O 3.07Å
382	G	75.8	Confident	80.3	Confident	33 Å²	33	41 Å²	41	34%	0.34	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	83.1	-173.5	179.8	0	0	0	0	0	113.4	L397	G382-L397 WeakPolarHBondContact O-CD2 3.31Å
383	Q	80.9	Confident	81.5	Confident	97 Å²	97	41.3 Å²	41.3	45%	0.453	23%	0.234	S	C	.	.			trans	-134	131.9	177.7	-53.2	-169.2	-29.3	0	0	109.5	V396 L397 N399 A491	Q383-V396 WeakPolarHBondContact CG-O 3.37Å; Q383-V396 PolarHBondContact NE2-O 3.24Å; Q383-L397 CarbonylContact C-O 3.58Å; Q383-L397 WeakPolarHBondContact CA-O 3.09Å; Q383-N399 HydrophobicContact CB-CB 3.93Å; Q383-A491 WeakPolarHBondContact O-CB 3.49Å
384	G	85	Confident	82.6	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	-160.7	-172	0	0	0	0	0	114.2	V353 L397 N399 T400	V353-G384 CarbonylContact O-C 3.48Å; V353-G384 WeakPolarHBondContact O-CA 3.01Å; G384-L397 PolarHBondContact N-O 3.13Å; G384-N399 PolarHBondContact O-N 3.43Å; G384-T400 PolarHBondContact O-N 3.07Å
385	L	89.1	Confident	83.5	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.016	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	127.6	174.2	175.2	64.6	0	0	0	110.3	V353 G355 Y357 T400 Q402 W419 L443	V353-L385 PolarHBondContact O-N 3.38Å; G355-L385 WeakPolarHBondContact O-CD2 3.46Å; Y357-L385 HydrophobicContact CD1-CD2 3.66Å; Y357-L385 HydrophobicContact CE1-CD2 3.84Å; L385-T400 HydrophobicContact CD1-CG2 4.41Å; L385-Q402 HydrophobicContact CD1-CB 4.36Å; L385-Q402 HydrophobicContact CD1-CG 3.8Å; L385-W419 HydrophobicContact CD2-CH2 3.96Å; L385-W419 HydrophobicContact CG-CH2 4.45Å; L385-L443 HydrophobicContact CB-CB 4.15Å; L385-L443 PolarHBondContact O-N 3.49Å
386	C	92.3	Very high	83.8	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	147.9	173.1	-60.1	0	0	0	0	111.6	V390 C398 T400 T401 Q402 C441	C386-V390 HydrophobicContact CB-CG2 3.73Å; C386-C398 HydrophobicContact CB-CB 3.78Å; C386-C398 WeakPolarHBondContact CB-SG 3.37Å; C386-C398 WeakPolarHBondContact SG-CA 3.03Å; C386-C398 WeakPolarHBondContact SG-CB 3.34Å; C386-C398 CovalentContact SG-SG 2.02Å; C386-C398 PolarHBondContact SG-SG 3.03Å; C386-T400 PolarHBondContact N-O 3.15Å; C386-T401 HydrophobicContact CB-CG2 4.47Å; C386-T401 CarbonylContact O-C 3.57Å; C386-T401 WeakPolarHBondContact O-CA 3.06Å; C386-Q402 PolarHBondContact O-N 3.26Å; C386-C441 CarbonylContact C-O 3.54Å; C386-C441 WeakPolarHBondContact CA-O 3.47Å
387	I	90.9	Very high	84.1	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	145.3	177.5	-49.9	-174.7	0	0	0	109.1	Y357 T404 L411 W419 L434 Y440 C441	Y357-I387 HydrophobicContact CD1-CD1 4.06Å; Y357-I387 HydrophobicContact CE1-CD1 3.7Å; I387-T404 HydrophobicContact CG2-CG2 3.79Å; I387-L411 HydrophobicContact CD1-CD1 3.58Å; I387-L411 HydrophobicContact CG2-CD1 4.29Å; I387-W419 HydrophobicContact CD1-CH2 3.38Å; I387-W419 HydrophobicContact CD1-CZ2 3.97Å; I387-W419 HydrophobicContact CD1-CZ3 3.92Å; I387-W419 HydrophobicContact CG1-CH2 4.02Å; I387-W419 HydrophobicContact CG1-CZ3 4.09Å; I387-L434 HydrophobicContact CB-CD2 4.36Å; I387-L434 HydrophobicContact CG2-CD2 3.6Å; I387-Y440 WeakPolarHBondContact O-CA 3.42Å; I387-C441 PolarHBondContact N-O 2.89Å; I387-C441 PolarHBondContact O-N 3.07Å
388	G	88.3	Confident	84.3	Confident	22 Å²	22	41 Å²	41	23%	0.227	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	90.4	-158.9	177.1	0	0	0	0	0	113.7	V390	G388-V390 PolarHBondContact O-N 3.03Å; G388-V390 VanDerWaalsContact O-N 3.08Å
389	A	87.4	Confident	85	Confident	55 Å²	55	43.7 Å²	43.7	46%	0.455	25%	0.247	S	C	.	.			trans	-86.6	71.3	-172	0	0	0	0	0	112.2	P391 D439	A389-P391 WeakPolarHBondContact O-CD 3.45Å; A389-D439 PolarHBondContact N-O 3.1Å
390	V	88.9	Confident	85.3	Confident	23 Å²	23	44.6 Å²	44.6	14%	0.139	26%	0.256	C	S	.	.			trans	-65.6	123.8	-177.1	-174	0	0	0	0	111.4	C386 G388 H394 T401	C386-V390 HydrophobicContact CB-CG2 3.73Å; G388-V390 PolarHBondContact O-N 3.03Å; G388-V390 VanDerWaalsContact O-N 3.08Å; V390-H394 HydrophobicContact CG1-CB 4.1Å; V390-T401 HydrophobicContact CG2-CG2 4.13Å
391	P	87.9	Confident	85.6	Confident	46 Å²	46	47.5 Å²	47.5	30%	0.299	27%	0.274	S	S	.	.			trans	-75.3	154.9	176.7	29.9	-34.5	0	0	0	112	A389 T393 H394 Q395 Y440	A389-P391 WeakPolarHBondContact O-CD 3.45Å; P391-T393 PolarHBondContact O-N 3.03Å; P391-H394 HydrophobicContact CG-CB 4.07Å; P391-H394 PolarHBondContact O-N 3.5Å; P391-Q395 PolarHBondContact O-N 3.49Å; P391-Y440 VanDerWaalsContact CD-CD1 3.44Å; P391-Y440 HydrophobicContact CG-CD1 4.22Å; P391-Y440 HydrophobicContact CG-CE1 3.85Å
392	K	84.8	Confident	85.9	Confident	201 Å²	201	49.3 Å²	49.3	87%	0.874	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-32.6	-179.5	-68.7	-174.6	179.7	179.7	0	114	H394	K392-H394 VanDerWaalsContact C-N 3.25Å; K392-H394 PolarHBondContact O-N 3.01Å
393	T	81.8	Confident	86	Confident	103 Å²	103	56.9 Å²	56.9	63%	0.632	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-24.4	178.2	47.4	0	0	0	0	113.4	P391	P391-T393 PolarHBondContact O-N 3.03Å
394	H	86.5	Confident	85.6	Confident	26 Å²	26	53.7 Å²	53.7	12%	0.12	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-4.8	-176.6	-64.2	64	0	0	0	112.6	V266 P267 V390 P391 K392 V396 L397 Y440	V266-H394 WeakPolarHBondContact CG1-CD2 3.3Å; V266-H394 VanDerWaalsContact CG1-NE2 3.26Å; V266-H394 WeakPolarHBondContact CG1-NE2 3.38Å; P267-H394 PolarHBondContact O-NE2 2.98Å; P267-H394 VanDerWaalsContact O-NE2 3.15Å; V390-H394 HydrophobicContact CG1-CB 4.1Å; P391-H394 HydrophobicContact CG-CB 4.07Å; P391-H394 PolarHBondContact O-N 3.5Å; K392-H394 VanDerWaalsContact C-N 3.25Å; K392-H394 PolarHBondContact O-N 3.01Å; H394-V396 PolarHBondContact O-N 3.47Å; H394-L397 WeakPolarHBondContact O-CB 3.11Å; H394-L397 PolarHBondContact O-N 3.24Å; H394-Y440 HydrophobicContact CB-CE2 4.31Å; H394-Y440 AromaticContact CD2-CE2 3.98Å; H394-Y440 AromaticContact CD2-CZ 3.76Å; H394-Y440 PolarHBondContact CD2-OH 2.78Å; H394-Y440 PolarHBondContact NE2-OH 3.26Å; H394-Y440 VanDerWaalsContact NE2-OH 3.08Å
395	Q	86.4	Confident	84.8	Confident	89 Å²	89	57.6 Å²	57.6	42%	0.416	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-55.5	-28.2	178.6	-163.8	67	40.6	0	0	112.8	P391 L397 C398	P391-Q395 PolarHBondContact O-N 3.49Å; Q395-L397 PolarHBondContact O-N 3.39Å; Q395-C398 WeakPolarHBondContact O-CB 3.22Å; Q395-C398 PolarHBondContact O-N 3.44Å
396	V	83.6	Confident	83.8	Confident	48 Å²	48	65.7 Å²	65.7	29%	0.291	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-61.2	-23.4	176.9	67.7	0	0	0	0	113.9	P264 V266 Q383 H394 C398	P264-V396 HydrophobicContact CG-CB 4.06Å; P264-V396 HydrophobicContact CG-CG1 3.5Å; P264-V396 VanDerWaalsContact CG-CG1 3.5Å; P264-V396 HydrophobicContact CG-CG2 3.63Å; V266-V396 HydrophobicContact CG2-CG1 3.85Å; Q383-V396 WeakPolarHBondContact CG-O 3.37Å; Q383-V396 PolarHBondContact NE2-O 3.24Å; H394-V396 PolarHBondContact O-N 3.47Å; V396-C398 VanDerWaalsContact C-N 3.33Å
397	L	85.3	Confident	82.9	Confident	2 Å²	2	67.4 Å²	67.4	1%	0.01	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-84.6	-7.1	175	-61.6	178.7	0	0	0	113.1	V266 I268 V380 G382 Q383 G384 H394 Q395 V442	V266-L397 HydrophobicContact CB-CD1 3.9Å; V266-L397 HydrophobicContact CB-CD2 4.43Å; V266-L397 HydrophobicContact CB-CG 4.24Å; V266-L397 HydrophobicContact CG1-CD1 4.22Å; V266-L397 HydrophobicContact CG2-CD1 4.48Å; V266-L397 HydrophobicContact CG2-CD2 4.39Å; V266-L397 HydrophobicContact CG2-CG 4.29Å; I268-L397 HydrophobicContact CD1-CD1 3.47Å; I268-L397 VanDerWaalsContact CD1-CD1 3.47Å; I268-L397 HydrophobicContact CG1-CD1 4.28Å; V380-L397 HydrophobicContact CB-CD1 4.09Å; V380-L397 HydrophobicContact CB-CD2 4.48Å; V380-L397 HydrophobicContact CG1-CD1 3.97Å; V380-L397 HydrophobicContact CG1-CD2 4.15Å; G382-L397 WeakPolarHBondContact O-CD2 3.31Å; Q383-L397 CarbonylContact C-O 3.58Å; Q383-L397 WeakPolarHBondContact CA-O 3.09Å; G384-L397 PolarHBondContact N-O 3.13Å; H394-L397 WeakPolarHBondContact O-CB 3.11Å; H394-L397 PolarHBondContact O-N 3.24Å; Q395-L397 PolarHBondContact O-N 3.39Å; L397-V442 HydrophobicContact CB-CG1 4.49Å; L397-V442 HydrophobicContact CD1-CG2 4.49Å
398	C	87.4	Confident	82.4	Confident	12 Å²	12	71.5 Å²	71.5	8%	0.081	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	106.3	-171.1	-56.6	0	0	0	0	110.3	C386 Q395 V396	C386-C398 HydrophobicContact CB-CB 3.78Å; C386-C398 WeakPolarHBondContact CB-SG 3.37Å; C386-C398 WeakPolarHBondContact SG-CA 3.03Å; C386-C398 WeakPolarHBondContact SG-CB 3.34Å; C386-C398 CovalentContact SG-SG 2.02Å; C386-C398 PolarHBondContact SG-SG 3.03Å; Q395-C398 WeakPolarHBondContact O-CB 3.22Å; Q395-C398 PolarHBondContact O-N 3.44Å; V396-C398 VanDerWaalsContact C-N 3.33Å
399	N	86.8	Confident	82.3	Confident	79 Å²	79	72 Å²	72	42%	0.422	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	-46.5	166.9	-168.2	-27.2	0	0	0	109.5	L354 Q383 G384 A491	L354-N399 HydrophobicContact CD2-CB 4.06Å; Q383-N399 HydrophobicContact CB-CB 3.93Å; G384-N399 PolarHBondContact O-N 3.43Å; N399-A491 HydrophobicContact CB-CB 4.47Å; N399-A491 WeakPolarHBondContact ND2-CB 2.87Å
400	T	84.4	Confident	82.3	Confident	60 Å²	60	72.8 Å²	72.8	37%	0.368	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	130.9	175	-54.6	0	0	0	0	109.6	G384 L385 C386 Q402	G384-T400 PolarHBondContact O-N 3.07Å; L385-T400 HydrophobicContact CD1-CG2 4.41Å; C386-T400 PolarHBondContact N-O 3.15Å; T400-Q402 HydrophobicContact CG2-CG 4.22Å
401	T	86.6	Confident	82.2	Confident	61 Å²	61	71.7 Å²	71.7	37%	0.374	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	120.2	171.3	-51	0	0	0	0	109	C386 V390	C386-T401 HydrophobicContact CB-CG2 4.47Å; C386-T401 CarbonylContact O-C 3.57Å; C386-T401 WeakPolarHBondContact O-CA 3.06Å; V390-T401 HydrophobicContact CG2-CG2 4.13Å
402	Q	84.9	Confident	82.2	Confident	75 Å²	75	70.1 Å²	70.1	35%	0.35	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	136.8	176.4	-68.5	-168.6	45.4	0	0	110.6	Y357 L385 C386 T400	Y357-Q402 PolarHBondContact OH-OE1 2.87Å; L385-Q402 HydrophobicContact CD1-CB 4.36Å; L385-Q402 HydrophobicContact CD1-CG 3.8Å; C386-Q402 PolarHBondContact O-N 3.26Å; T400-Q402 HydrophobicContact CG2-CG 4.22Å
403	K	76.4	Confident	82.3	Confident	193 Å²	193	61.5 Å²	61.5	84%	0.839	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-87.4	138	169.2	-65.9	-173.3	178.3	-175.8	0	108.6
404	T	73.6	Confident	82.3	Confident	30 Å²	30	58 Å²	58	18%	0.184	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-64.5	137.6	172.5	28.4	0	0	0	0	110.2	I387 L411 T431 L434 D435	I387-T404 HydrophobicContact CG2-CG2 3.79Å; T404-L411 HydrophobicContact CG2-CD1 4.41Å; T404-T431 HydrophobicContact CG2-CG2 3.8Å; T404-L434 HydrophobicContact CG2-CD2 4Å; T404-D435 WeakPolarHBondContact CB-OD1 3.31Å; T404-D435 PolarHBondContact OG1-OD1 3.33Å
405	S	68.8	Low	81.8	Confident	82 Å²	82	62.5 Å²	62.5	57%	0.573	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-78.4	147.5	171.4	-46.4	0	0	0	0	109.9	G407 Y409	S405-G407 PolarHBondContact O-N 2.95Å; S405-Y409 PolarHBondContact N-OH 3.08Å; S405-Y409 VanDerWaalsContact N-OH 3.08Å; S405-Y409 WeakPolarHBondContact O-CE1 3.05Å; S405-Y409 PolarHBondContact O-OH 3.24Å
406	D	67.9	Low	81.2	Confident	172 Å²	172	58.9 Å²	58.9	92%	0.92	34%	0.34	S	S	*	.	S	Bend	trans	-58.8	121.8	179.7	-146.3	0.6	0	0	0	111.2
407	G	71.6	Confident	81.2	Confident	36 Å²	36	57.5 Å²	57.5	37%	0.371	33%	0.332	S	S	.	.	S	Bend	trans	143.1	161.1	-179.4	0	0	0	0	0	115.2	S405 Y409 T431	S405-G407 PolarHBondContact O-N 2.95Å; G407-Y409 WeakPolarHBondContact O-CD1 3.01Å; G407-Y409 WeakPolarHBondContact O-CE1 3.39Å; G407-T431 PolarHBondContact O-OG1 3.17Å
408	S	81.4	Confident	81.3	Confident	86 Å²	86	58.4 Å²	58.4	60%	0.601	34%	0.337	S	S	*	.			trans	-96.2	103.2	-178.9	173.7	0	0	0	0	111.7	T432	S408-T432 WeakPolarHBondContact CA-OG1 3.45Å; S408-T432 WeakPolarHBondContact CB-OG1 3.45Å; S408-T432 PolarHBondContact OG-OG1 2.91Å
409	Y	86	Confident	81.4	Confident	34 Å²	34	57.8 Å²	57.8	13%	0.133	33%	0.333	C	S	.	.			trans	-149.5	173.9	175.8	54.3	-79.2	0	0	0	111.1	N359 H360 S405 G407 L411 T431	N359-Y409 HydrophobicContact CB-CD2 4.47Å; H360-Y409 CarbonylContact O-C 3.48Å; H360-Y409 WeakPolarHBondContact O-CA 3.28Å; H360-Y409 WeakPolarHBondContact O-CB 3.12Å; S405-Y409 PolarHBondContact N-OH 3.08Å; S405-Y409 VanDerWaalsContact N-OH 3.08Å; S405-Y409 WeakPolarHBondContact O-CE1 3.05Å; S405-Y409 PolarHBondContact O-OH 3.24Å; G407-Y409 WeakPolarHBondContact O-CD1 3.01Å; G407-Y409 WeakPolarHBondContact O-CE1 3.39Å; Y409-L411 HydrophobicContact CD2-CD2 3.78Å; Y409-L411 HydrophobicContact CE2-CD2 3.52Å; Y409-L411 HydrophobicContact CE2-CG 4.43Å; Y409-T431 HydrophobicContact CD1-CG2 4.28Å; Y409-T431 HydrophobicContact CD2-CG2 3.73Å; Y409-T431 HydrophobicContact CE1-CG2 3.96Å; Y409-T431 HydrophobicContact CE2-CG2 3.41Å; Y409-T431 VanDerWaalsContact CE2-CG2 3.41Å; Y409-T431 HydrophobicContact CG-CG2 4.14Å; Y409-T431 PolarHBondContact N-OG1 3.41Å; Y409-T431 VanDerWaalsContact N-OG1 3.1Å; Y409-T431 PolarHBondContact O-N 2.8Å; Y409-T431 PolarHBondContact O-OG1 3.25Å; Y409-T431 VanDerWaalsContact O-OG1 3.09Å
410	Y	86.8	Confident	81.6	Confident	70 Å²	70	54.1 Å²	54.1	28%	0.275	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	135.8	179.6	-66.3	-92.6	0	0	0	110.7	N359 H360 A363 I429	N359-Y410 WeakPolarHBondContact CA-O 3.49Å; H360-Y410 PolarHBondContact N-O 3.24Å; H360-Y410 PolarHBondContact O-N 3Å; A363-Y410 HydrophobicContact CB-CD1 4.37Å; A363-Y410 HydrophobicContact CB-CD2 4.14Å; A363-Y410 HydrophobicContact CB-CE1 4Å; A363-Y410 HydrophobicContact CB-CE2 3.77Å; A363-Y410 HydrophobicContact CB-CG 4.43Å; Y410-I429 CarbonylContact C-O 3.59Å; Y410-I429 VanDerWaalsContact CA-O 3.25Å; Y410-I429 WeakPolarHBondContact CA-O 3.49Å
411	L	87.9	Confident	81.8	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	103.6	174.4	-55.4	-175.2	0	0	0	109	Y357 N359 I387 T404 Y409 W419 C428 I429 T431	Y357-L411 HydrophobicContact CD2-CB 4.3Å; Y357-L411 HydrophobicContact CD2-CD2 3.61Å; Y357-L411 HydrophobicContact CD2-CG 4.39Å; Y357-L411 HydrophobicContact CE2-CD1 4.31Å; Y357-L411 HydrophobicContact CE2-CD2 3.42Å; Y357-L411 VanDerWaalsContact CE2-CD2 3.42Å; Y357-L411 HydrophobicContact CE2-CG 4.37Å; N359-L411 WeakPolarHBondContact OD1-CD2 3.32Å; I387-L411 HydrophobicContact CD1-CD1 3.58Å; I387-L411 HydrophobicContact CG2-CD1 4.29Å; T404-L411 HydrophobicContact CG2-CD1 4.41Å; Y409-L411 HydrophobicContact CD2-CD2 3.78Å; Y409-L411 HydrophobicContact CE2-CD2 3.52Å; Y409-L411 HydrophobicContact CE2-CG 4.43Å; L411-W419 PolarHBondContact O-NE1 2.86Å; L411-C428 CarbonylContact O-C 3.56Å; L411-C428 WeakPolarHBondContact O-CA 3.47Å; L411-I429 HydrophobicContact CB-CB 4.29Å; L411-I429 PolarHBondContact N-O 3.13Å; L411-I429 PolarHBondContact O-N 3.05Å; L411-T431 HydrophobicContact CD1-CG2 4.17Å; L411-T431 HydrophobicContact CD2-CG2 4.28Å; L411-T431 HydrophobicContact CG-CG2 3.94Å
412	A	87.7	Confident	81.8	Confident	13 Å²	13	49.7 Å²	49.7	11%	0.107	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	130.3	176.8	0	0	0	0	0	110.6	Y357 S358	Y357-A412 WeakPolarHBondContact CB-O 2.99Å; S358-A412 PolarHBondContact N-O 2.77Å; S358-A412 PolarHBondContact O-N 3.02Å
413	A	85.6	Confident	81.7	Confident	20 Å²	20	48.5 Å²	48.5	17%	0.165	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-65.3	143.3	172.7	0	0	0	0	0	110.4	W419 P427 L443	A413-W419 HydrophobicContact CB-CG 4.49Å; A413-P427 WeakPolarHBondContact CB-O 3.22Å; A413-P427 PolarHBondContact N-O 3.09Å; A413-L443 HydrophobicContact CB-CD1 4.1Å
414	P	81.9	Confident	82.1	Confident	29 Å²	29	39.4 Å²	39.4	19%	0.188	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-66	155.8	175.3	27.9	-34.5	0	0	0	111.2	T356 G416 T417	T356-P414 WeakPolarHBondContact O-CD 3.43Å; T356-P414 WeakPolarHBondContact O-CG 3.33Å; P414-G416 PolarHBondContact O-N 3.48Å; P414-T417 WeakPolarHBondContact CD-OG1 3.48Å; P414-T417 HydrophobicContact CG-CG2 4.21Å; P414-T417 WeakPolarHBondContact CG-OG1 3.23Å; P414-T417 PolarHBondContact O-N 3.06Å; P414-T417 PolarHBondContact O-OG1 3.11Å
415	T	76	Confident	82.7	Confident	122 Å²	122	39 Å²	39	75%	0.748	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.2	128.1	178	-51.8	0	0	0	0	110.9	G487	T415-G487 WeakPolarHBondContact O-CA 3.36Å
416	G	74.6	Confident	83.6	Confident	13 Å²	13	35.5 Å²	35.5	13%	0.134	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.8	-7.4	-178.3	0	0	0	0	0	114	P414	P414-G416 PolarHBondContact O-N 3.48Å
417	T	83.1	Confident	84.4	Confident	19 Å²	19	29.5 Å²	29.5	12%	0.117	19%	0.189	C	C	.	.			trans	-126.3	168.8	179.1	70	0	0	0	0	111.8	V353 P414 V444	V353-T417 HydrophobicContact CG2-CG2 4.09Å; P414-T417 WeakPolarHBondContact CD-OG1 3.48Å; P414-T417 HydrophobicContact CG-CG2 4.21Å; P414-T417 WeakPolarHBondContact CG-OG1 3.23Å; P414-T417 PolarHBondContact O-N 3.06Å; P414-T417 PolarHBondContact O-OG1 3.11Å; T417-V444 WeakPolarHBondContact CA-O 3.37Å
418	T	87.5	Confident	85.1	Confident	20 Å²	20	28.3 Å²	28.3	12%	0.123	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	163.9	175	-165	0	0	0	0	110.2	L425 T426 V444 L446	T418-L425 HydrophobicContact CG2-CD2 3.93Å; T418-T426 PolarHBondContact OG1-O 3.46Å; T418-V444 HydrophobicContact CG2-CG2 3.72Å; T418-V444 PolarHBondContact N-O 3Å; T418-V444 PolarHBondContact O-N 2.87Å; T418-V444 VanDerWaalsContact O-O 3.14Å; T418-L446 HydrophobicContact CG2-CD1 3.77Å; T418-L446 HydrophobicContact CG2-CD2 4.32Å; T418-L446 HydrophobicContact CG2-CG 3.76Å
419	W	89.6	Confident	85.4	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	125.3	172.1	-63	108.4	0	0	0	110.4	Y357 L385 I387 L411 A413 L425 T426 I429 C441 L443	Y357-W419 HydrophobicContact CD1-CH2 4.09Å; Y357-W419 HydrophobicContact CD1-CZ2 4.09Å; Y357-W419 HydrophobicContact CG-CZ2 4.18Å; L385-W419 HydrophobicContact CD2-CH2 3.96Å; L385-W419 HydrophobicContact CG-CH2 4.45Å; I387-W419 HydrophobicContact CD1-CH2 3.38Å; I387-W419 HydrophobicContact CD1-CZ2 3.97Å; I387-W419 HydrophobicContact CD1-CZ3 3.92Å; I387-W419 HydrophobicContact CG1-CH2 4.02Å; I387-W419 HydrophobicContact CG1-CZ3 4.09Å; L411-W419 PolarHBondContact O-NE1 2.86Å; A413-W419 HydrophobicContact CB-CG 4.49Å; W419-L425 WeakPolarHBondContact O-CA 3.25Å; W419-T426 HydrophobicContact CB-CG2 3.81Å; W419-T426 WeakPolarHBondContact CB-O 3.49Å; W419-T426 PolarHBondContact N-O 3.49Å; W419-T426 PolarHBondContact O-N 2.98Å; W419-I429 HydrophobicContact CB-CD1 3.97Å; W419-I429 HydrophobicContact CB-CG1 4Å; W419-I429 HydrophobicContact CD2-CD1 3.32Å; W419-I429 HydrophobicContact CD2-CG1 4.1Å; W419-I429 HydrophobicContact CE3-CD1 3.7Å; W419-I429 HydrophobicContact CG-CD1 3.44Å; W419-I429 VanDerWaalsContact CG-CD1 3.44Å; W419-I429 HydrophobicContact CG-CG1 3.67Å; W419-I429 HydrophobicContact CZ2-CD1 4.27Å; W419-I429 HydrophobicContact CZ3-CD1 4.32Å; W419-C441 HydrophobicContact CB-CB 4.45Å; W419-C441 HydrophobicContact CE3-CB 4.1Å; W419-L443 HydrophobicContact CD2-CD1 4.04Å; W419-L443 HydrophobicContact CE3-CB 3.97Å; W419-L443 HydrophobicContact CE3-CD1 4.02Å; W419-L443 HydrophobicContact CH2-CB 4.05Å; W419-L443 HydrophobicContact CH2-CD1 4.02Å; W419-L443 HydrophobicContact CH2-CG 4.48Å; W419-L443 HydrophobicContact CZ2-CD1 4.06Å; W419-L443 HydrophobicContact CZ3-CB 3.55Å; W419-L443 HydrophobicContact CZ3-CD1 4.03Å; W419-L443 HydrophobicContact CZ3-CG 4.35Å
420	A	91	Very high	85.4	Confident	1 Å²	1	23.9 Å²	23.9	1%	0.008	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	105.4	165.6	0	0	0	0	0	108.7	I268 L377 L425 C441 V442 V444	I268-A420 HydrophobicContact CB-CB 4.34Å; I268-A420 HydrophobicContact CD1-CB 4.48Å; I268-A420 HydrophobicContact CG2-CB 3.88Å; I268-A420 WeakPolarHBondContact CG2-O 3.19Å; L377-A420 HydrophobicContact CD1-CB 3.97Å; A420-L425 HydrophobicContact CB-CD2 3.9Å; A420-C441 CarbonylContact O-C 3.52Å; A420-C441 WeakPolarHBondContact O-CA 3.33Å; A420-V442 PolarHBondContact N-O 3.41Å; A420-V442 PolarHBondContact O-N 3.08Å; A420-V444 HydrophobicContact CB-CB 4.5Å; A420-V444 HydrophobicContact CB-CG1 3.9Å; A420-V444 HydrophobicContact CB-CG2 3.73Å
421	C	89.6	Confident	85.3	Confident	2 Å²	2	20.5 Å²	20.5	1%	0.014	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	161.5	-179.8	-56.5	0	0	0	0	112	I268 G269 T423 G424 Y440 C441	I268-C421 WeakPolarHBondContact CG2-O 3.49Å; G269-C421 WeakPolarHBondContact CA-O 3.14Å; C421-T423 WeakPolarHBondContact CB-OG1 3.45Å; C421-T423 PolarHBondContact O-N 2.87Å; C421-T423 VanDerWaalsContact O-N 3.14Å; C421-G424 WeakPolarHBondContact CB-O 3.32Å; C421-G424 PolarHBondContact N-O 2.91Å; C421-G424 PolarHBondContact O-N 2.88Å; C421-Y440 CarbonylContact C-O 3.55Å; C421-Y440 WeakPolarHBondContact CA-O 3.47Å; C421-C441 HydrophobicContact CB-CB 4.07Å; C421-C441 WeakPolarHBondContact CB-SG 3.38Å; C421-C441 WeakPolarHBondContact SG-CB 3.22Å; C421-C441 CovalentContact SG-SG 2.03Å; C421-C441 PolarHBondContact SG-SG 2.8Å
422	S	87.1	Confident	85	Confident	27 Å²	27	23.1 Å²	23.1	19%	0.189	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-31.8	166.3	44.2	0	0	0	0	112.4	G269 P270 D439 Y440	G269-S422 CarbonylContact C-O 3.08Å; P270-S422 WeakPolarHBondContact CA-O 2.95Å; S422-D439 WeakPolarHBondContact OG-CA 3.26Å; S422-D439 WeakPolarHBondContact OG-CB 3.46Å; S422-D439 VanDerWaalsContact OG-CG 3.23Å; S422-D439 PolarHBondContact OG-OD1 3.33Å; S422-Y440 PolarHBondContact N-O 2.9Å; S422-Y440 PolarHBondContact OG-N 2.8Å
423	T	82.6	Confident	84.6	Confident	50 Å²	50	27.2 Å²	27.2	31%	0.307	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-17.9	176.4	52	0	0	0	0	113.6	P270 H373 C421 D439	P270-T423 WeakPolarHBondContact CD-O 3.34Å; P270-T423 WeakPolarHBondContact CG-O 3.29Å; H373-T423 CarbonylContact C-O 3.24Å; H373-T423 VanDerWaalsContact C-O 3.24Å; H373-T423 WeakPolarHBondContact CB-O 3.1Å; C421-T423 WeakPolarHBondContact CB-OG1 3.45Å; C421-T423 PolarHBondContact O-N 2.87Å; C421-T423 VanDerWaalsContact O-N 3.14Å; T423-D439 VanDerWaalsContact CG2-OD2 3.29Å; T423-D439 WeakPolarHBondContact CG2-OD2 3.21Å
424	G	84.4	Confident	84.5	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	133.8	-175	177.8	0	0	0	0	0	113.1	L375 C421	L375-G424 WeakPolarHBondContact O-CA 3.24Å; C421-G424 WeakPolarHBondContact CB-O 3.32Å; C421-G424 PolarHBondContact N-O 2.91Å; C421-G424 PolarHBondContact O-N 2.88Å
425	L	86.5	Confident	84.4	Confident	23 Å²	23	29.1 Å²	29.1	12%	0.12	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	134.1	175.5	-67	171.5	0	0	0	111.4	L375 L377 T418 W419 A420 L446	L375-L425 HydrophobicContact CB-CB 4.34Å; L375-L425 HydrophobicContact CB-CD1 3.87Å; L375-L425 HydrophobicContact CB-CG 4.26Å; L375-L425 HydrophobicContact CD1-CD1 4.35Å; L375-L425 PolarHBondContact O-N 3.35Å; L377-L425 HydrophobicContact CD1-CD2 3.75Å; L377-L425 HydrophobicContact CD2-CD1 3.98Å; L377-L425 HydrophobicContact CD2-CD2 4.47Å; L377-L425 HydrophobicContact CG-CD1 4.16Å; L377-L425 HydrophobicContact CG-CD2 3.91Å; L377-L425 HydrophobicContact CG-CG 4.29Å; T418-L425 HydrophobicContact CG2-CD2 3.93Å; W419-L425 WeakPolarHBondContact O-CA 3.25Å; A420-L425 HydrophobicContact CB-CD2 3.9Å; L425-L446 HydrophobicContact CD1-CD1 4.22Å; L425-L446 HydrophobicContact CD1-CD2 4.36Å; L425-L446 HydrophobicContact CD2-CD2 4.33Å
426	T	85.9	Confident	84.5	Confident	7 Å²	7	30.1 Å²	30.1	4%	0.043	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	139.7	177.7	-175.6	0	0	0	0	111.8	H373 T418 W419 C428 I429	H373-T426 PolarHBondContact CE1-OG1 3.25Å; T418-T426 PolarHBondContact OG1-O 3.46Å; W419-T426 HydrophobicContact CB-CG2 3.81Å; W419-T426 WeakPolarHBondContact CB-O 3.49Å; W419-T426 PolarHBondContact N-O 3.49Å; W419-T426 PolarHBondContact O-N 2.98Å; T426-C428 WeakPolarHBondContact CG2-O 3.47Å; T426-C428 PolarHBondContact O-N 3.1Å; T426-C428 PolarHBondContact OG1-N 2.99Å; T426-C428 PolarHBondContact OG1-O 2.77Å; T426-I429 HydrophobicContact CG2-CG1 4.26Å
427	P	85.1	Confident	84.4	Confident	47 Å²	47	31.9 Å²	31.9	31%	0.305	18%	0.183	S	C	.	.	S	Bend	trans	-68.9	-21.2	173	28.5	-34.2	0	0	0	112.3	N366 A413	N366-P427 VanDerWaalsContact O-CG 3.28Å; N366-P427 WeakPolarHBondContact O-CG 3.49Å; A413-P427 WeakPolarHBondContact CB-O 3.22Å; A413-P427 PolarHBondContact N-O 3.09Å
428	C	86.9	Confident	84.1	Confident	10 Å²	10	37.1 Å²	37.1	7%	0.068	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	150.4	-173.6	-33.9	0	0	0	0	112.6	C367 L411 T426	C367-C428 HydrophobicContact CB-CB 3.62Å; C367-C428 WeakPolarHBondContact CB-SG 3.45Å; C367-C428 WeakPolarHBondContact SG-CB 3.18Å; C367-C428 CovalentContact SG-SG 2Å; C367-C428 PolarHBondContact SG-SG 3.31Å; L411-C428 CarbonylContact O-C 3.56Å; L411-C428 WeakPolarHBondContact O-CA 3.47Å; T426-C428 WeakPolarHBondContact CG2-O 3.47Å; T426-C428 PolarHBondContact O-N 3.1Å; T426-C428 PolarHBondContact OG1-N 2.99Å; T426-C428 PolarHBondContact OG1-O 2.77Å
429	I	87.1	Confident	84.1	Confident	11 Å²	11	37.7 Å²	37.7	6%	0.056	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	136.1	176.9	-53.7	160.9	0	0	0	109.3	Y410 L411 W419 T426 L434 C441	Y410-I429 CarbonylContact C-O 3.59Å; Y410-I429 VanDerWaalsContact CA-O 3.25Å; Y410-I429 WeakPolarHBondContact CA-O 3.49Å; L411-I429 HydrophobicContact CB-CB 4.29Å; L411-I429 PolarHBondContact N-O 3.13Å; L411-I429 PolarHBondContact O-N 3.05Å; W419-I429 HydrophobicContact CB-CD1 3.97Å; W419-I429 HydrophobicContact CB-CG1 4Å; W419-I429 HydrophobicContact CD2-CD1 3.32Å; W419-I429 HydrophobicContact CD2-CG1 4.1Å; W419-I429 HydrophobicContact CE3-CD1 3.7Å; W419-I429 HydrophobicContact CG-CD1 3.44Å; W419-I429 VanDerWaalsContact CG-CD1 3.44Å; W419-I429 HydrophobicContact CG-CG1 3.67Å; W419-I429 HydrophobicContact CZ2-CD1 4.27Å; W419-I429 HydrophobicContact CZ3-CD1 4.32Å; T426-I429 HydrophobicContact CG2-CG1 4.26Å; I429-L434 HydrophobicContact CG2-CB 4.06Å; I429-L434 HydrophobicContact CG2-CD1 4.3Å; I429-L434 HydrophobicContact CG2-CD2 4.04Å; I429-L434 HydrophobicContact CG2-CG 4.37Å; I429-C441 HydrophobicContact CD1-CB 3.45Å; I429-C441 VanDerWaalsContact CD1-CB 3.45Å; I429-C441 VanDerWaalsContact CD1-SG 3.5Å; I429-C441 HydrophobicContact CG1-CB 4.32Å
430	S	86.6	Confident	84.1	Confident	16 Å²	16	38.8 Å²	38.8	11%	0.112	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	123	166.8	176	0	0	0	0	109.2	T432 I433 L434	S430-T432 VanDerWaalsContact C-N 3.32Å; S430-T432 PolarHBondContact O-N 2.88Å; S430-I433 PolarHBondContact O-N 3.05Å; S430-L434 WeakPolarHBondContact O-CB 3.3Å; S430-L434 PolarHBondContact O-N 2.87Å
431	T	85	Confident	84.1	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.7	-38.2	179.1	56.1	0	0	0	0	112	T404 G407 Y409 L411 I433 L434 D435	T404-T431 HydrophobicContact CG2-CG2 3.8Å; G407-T431 PolarHBondContact O-OG1 3.17Å; Y409-T431 HydrophobicContact CD1-CG2 4.28Å; Y409-T431 HydrophobicContact CD2-CG2 3.73Å; Y409-T431 HydrophobicContact CE1-CG2 3.96Å; Y409-T431 HydrophobicContact CE2-CG2 3.41Å; Y409-T431 VanDerWaalsContact CE2-CG2 3.41Å; Y409-T431 HydrophobicContact CG-CG2 4.14Å; Y409-T431 PolarHBondContact N-OG1 3.41Å; Y409-T431 VanDerWaalsContact N-OG1 3.1Å; Y409-T431 PolarHBondContact O-N 2.8Å; Y409-T431 PolarHBondContact O-OG1 3.25Å; Y409-T431 VanDerWaalsContact O-OG1 3.09Å; L411-T431 HydrophobicContact CD1-CG2 4.17Å; L411-T431 HydrophobicContact CD2-CG2 4.28Å; L411-T431 HydrophobicContact CG-CG2 3.94Å; T431-I433 VanDerWaalsContact C-N 3.32Å; T431-I433 PolarHBondContact O-N 3.47Å; T431-L434 PolarHBondContact O-N 2.78Å; T431-D435 WeakPolarHBondContact O-CB 3.25Å; T431-D435 VanDerWaalsContact O-CG 3.23Å; T431-D435 PolarHBondContact O-N 3.07Å
432	T	80.9	Confident	84.3	Confident	54 Å²	54	38.7 Å²	38.7	33%	0.331	22%	0.221	S	C	.	.	H	α-helix	trans	-57.3	-44	175.9	-44.6	0	0	0	0	112.1	S408 S430 L436	S408-T432 WeakPolarHBondContact CA-OG1 3.45Å; S408-T432 WeakPolarHBondContact CB-OG1 3.45Å; S408-T432 PolarHBondContact OG-OG1 2.91Å; S430-T432 VanDerWaalsContact C-N 3.32Å; S430-T432 PolarHBondContact O-N 2.88Å; T432-L436 HydrophobicContact CG2-CD1 4.08Å; T432-L436 WeakPolarHBondContact O-CB 3.42Å; T432-L436 VanDerWaalsContact O-CD1 3.31Å; T432-L436 WeakPolarHBondContact O-CD1 3.12Å; T432-L436 WeakPolarHBondContact O-CG 3.46Å; T432-L436 PolarHBondContact O-N 2.87Å; T432-L436 VanDerWaalsContact O-N 3.17Å
433	I	80	Confident	84.4	Confident	99 Å²	99	37.4 Å²	37.4	51%	0.508	21%	0.212	S	C	.	.	H	α-helix	trans	-69.4	-46.1	178.2	-61.2	176.9	0	0	0	109.7	S430 T431 D435 L436 T437	S430-I433 PolarHBondContact O-N 3.05Å; T431-I433 VanDerWaalsContact C-N 3.32Å; T431-I433 PolarHBondContact O-N 3.47Å; I433-D435 VanDerWaalsContact C-N 3.27Å; I433-D435 PolarHBondContact O-N 2.86Å; I433-L436 PolarHBondContact O-N 2.99Å; I433-T437 HydrophobicContact CG2-CG2 4.17Å; I433-T437 WeakPolarHBondContact O-CB 3.49Å; I433-T437 PolarHBondContact O-N 3.18Å; I433-T437 PolarHBondContact O-OG1 2.97Å
434	L	83.6	Confident	84.6	Confident	10 Å²	10	35 Å²	35	5%	0.052	20%	0.198	C	C	.	.	H	α-helix	trans	-64.3	-27.5	-178.8	-166.6	73.5	0	0	0	113.7	I387 T404 I429 S430 T431 T437 D439	I387-L434 HydrophobicContact CB-CD2 4.36Å; I387-L434 HydrophobicContact CG2-CD2 3.6Å; T404-L434 HydrophobicContact CG2-CD2 4Å; I429-L434 HydrophobicContact CG2-CB 4.06Å; I429-L434 HydrophobicContact CG2-CD1 4.3Å; I429-L434 HydrophobicContact CG2-CD2 4.04Å; I429-L434 HydrophobicContact CG2-CG 4.37Å; S430-L434 WeakPolarHBondContact O-CB 3.3Å; S430-L434 PolarHBondContact O-N 2.87Å; T431-L434 PolarHBondContact O-N 2.78Å; L434-T437 CarbonylContact C-O 3.57Å; L434-D439 HydrophobicContact CD1-CB 3.87Å; L434-D439 WeakPolarHBondContact CD1-O 3.46Å
435	D	79.6	Confident	84.6	Confident	79 Å²	79	35.2 Å²	35.2	42%	0.422	20%	0.198	S	C	.	.	H	α-helix	trans	-83.6	-31	175.9	-67.4	-23.9	0	0	0	111.7	T404 T431 I433	T404-D435 WeakPolarHBondContact CB-OD1 3.31Å; T404-D435 PolarHBondContact OG1-OD1 3.33Å; T431-D435 WeakPolarHBondContact O-CB 3.25Å; T431-D435 VanDerWaalsContact O-CG 3.23Å; T431-D435 PolarHBondContact O-N 3.07Å; I433-D435 VanDerWaalsContact C-N 3.27Å; I433-D435 PolarHBondContact O-N 2.86Å
436	L	78.3	Confident	84.5	Confident	144 Å²	144	35.2 Å²	35.2	75%	0.754	20%	0.198	S	C	*	.	H	α-helix	trans	-76.2	-36.5	175.6	-76	168.1	0	0	0	112.4	T432 I433	T432-L436 HydrophobicContact CG2-CD1 4.08Å; T432-L436 WeakPolarHBondContact O-CB 3.42Å; T432-L436 VanDerWaalsContact O-CD1 3.31Å; T432-L436 WeakPolarHBondContact O-CD1 3.12Å; T432-L436 WeakPolarHBondContact O-CG 3.46Å; T432-L436 PolarHBondContact O-N 2.87Å; T432-L436 VanDerWaalsContact O-N 3.17Å; I433-L436 PolarHBondContact O-N 2.99Å
437	T	72.9	Confident	84.4	Confident	50 Å²	50	35.3 Å²	35.3	31%	0.307	20%	0.198	S	C	.	.	S	Bend	trans	-98	146.5	178.3	64.9	0	0	0	0	109.6	I433 L434 D439	I433-T437 HydrophobicContact CG2-CG2 4.17Å; I433-T437 WeakPolarHBondContact O-CB 3.49Å; I433-T437 PolarHBondContact O-N 3.18Å; I433-T437 PolarHBondContact O-OG1 2.97Å; L434-T437 CarbonylContact C-O 3.57Å; T437-D439 WeakPolarHBondContact CB-OD2 3.35Å; T437-D439 PolarHBondContact O-N 2.99Å; T437-D439 WeakPolarHBondContact OG1-CB 3.21Å; T437-D439 PolarHBondContact OG1-OD2 3.34Å
438	T	76.5	Confident	84.4	Confident	128 Å²	128	33.1 Å²	33.1	79%	0.785	18%	0.184	S	C	*	.			trans	-77.5	38.9	171.9	57.3	0	0	0	0	111.4
439	D	86.4	Confident	84.2	Confident	33 Å²	33	35.1 Å²	35.1	18%	0.176	19%	0.19	C	C	.	.			trans	-81.6	161	-177.6	-75.5	-38.3	0	0	0	111.1	A389 S422 T423 L434 T437	A389-D439 PolarHBondContact N-O 3.1Å; S422-D439 WeakPolarHBondContact OG-CA 3.26Å; S422-D439 WeakPolarHBondContact OG-CB 3.46Å; S422-D439 VanDerWaalsContact OG-CG 3.23Å; S422-D439 PolarHBondContact OG-OD1 3.33Å; T423-D439 VanDerWaalsContact CG2-OD2 3.29Å; T423-D439 WeakPolarHBondContact CG2-OD2 3.21Å; L434-D439 HydrophobicContact CD1-CB 3.87Å; L434-D439 WeakPolarHBondContact CD1-O 3.46Å; T437-D439 WeakPolarHBondContact CB-OD2 3.35Å; T437-D439 PolarHBondContact O-N 2.99Å; T437-D439 WeakPolarHBondContact OG1-CB 3.21Å; T437-D439 PolarHBondContact OG1-OD2 3.34Å
440	Y	90.6	Very high	84.2	Confident	22 Å²	22	34.6 Å²	34.6	9%	0.086	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	154.2	174.9	71	-85.7	0	0	0	109.8	I268 I387 P391 H394 C421 S422 V442	I268-Y440 HydrophobicContact CD1-CE2 4.45Å; I268-Y440 HydrophobicContact CG1-CE2 4.5Å; I387-Y440 WeakPolarHBondContact O-CA 3.42Å; P391-Y440 VanDerWaalsContact CD-CD1 3.44Å; P391-Y440 HydrophobicContact CG-CD1 4.22Å; P391-Y440 HydrophobicContact CG-CE1 3.85Å; H394-Y440 HydrophobicContact CB-CE2 4.31Å; H394-Y440 AromaticContact CD2-CE2 3.98Å; H394-Y440 AromaticContact CD2-CZ 3.76Å; H394-Y440 PolarHBondContact CD2-OH 2.78Å; H394-Y440 PolarHBondContact NE2-OH 3.26Å; H394-Y440 VanDerWaalsContact NE2-OH 3.08Å; C421-Y440 CarbonylContact C-O 3.55Å; C421-Y440 WeakPolarHBondContact CA-O 3.47Å; S422-Y440 PolarHBondContact N-O 2.9Å; S422-Y440 PolarHBondContact OG-N 2.8Å; Y440-V442 HydrophobicContact CD2-CG2 4.39Å; Y440-V442 HydrophobicContact CE2-CG2 4.45Å
441	C	91.3	Very high	84.2	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.014	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	142.9	178.3	-57.5	0	0	0	0	110.9	C386 I387 W419 A420 C421 I429	C386-C441 CarbonylContact C-O 3.54Å; C386-C441 WeakPolarHBondContact CA-O 3.47Å; I387-C441 PolarHBondContact N-O 2.89Å; I387-C441 PolarHBondContact O-N 3.07Å; W419-C441 HydrophobicContact CB-CB 4.45Å; W419-C441 HydrophobicContact CE3-CB 4.1Å; A420-C441 CarbonylContact O-C 3.52Å; A420-C441 WeakPolarHBondContact O-CA 3.33Å; C421-C441 HydrophobicContact CB-CB 4.07Å; C421-C441 WeakPolarHBondContact CB-SG 3.38Å; C421-C441 WeakPolarHBondContact SG-CB 3.22Å; C421-C441 CovalentContact SG-SG 2.03Å; C421-C441 PolarHBondContact SG-SG 2.8Å; I429-C441 HydrophobicContact CD1-CB 3.45Å; I429-C441 VanDerWaalsContact CD1-CB 3.45Å; I429-C441 VanDerWaalsContact CD1-SG 3.5Å; I429-C441 HydrophobicContact CG1-CB 4.32Å
442	V	92.1	Very high	84.2	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	133.6	174.8	-173.6	0	0	0	0	108.3	I268 A352 L397 A420 Y440 V444	I268-V442 HydrophobicContact CD1-CB 4.05Å; I268-V442 HydrophobicContact CD1-CG2 3.61Å; A352-V442 HydrophobicContact CB-CG1 3.84Å; L397-V442 HydrophobicContact CB-CG1 4.49Å; L397-V442 HydrophobicContact CD1-CG2 4.49Å; A420-V442 PolarHBondContact N-O 3.41Å; A420-V442 PolarHBondContact O-N 3.08Å; Y440-V442 HydrophobicContact CD2-CG2 4.39Å; Y440-V442 HydrophobicContact CE2-CG2 4.45Å; V442-V444 HydrophobicContact CB-CG1 4.27Å; V442-V444 HydrophobicContact CG1-CG1 4.05Å; V442-V444 PolarHBondContact O-N 3.23Å
443	L	90.3	Very high	84.3	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	118.2	173.3	-170.9	65.3	0	0	0	108.9	A352 V353 L385 A413 W419	A352-L443 WeakPolarHBondContact CA-O 3.38Å; V353-L443 HydrophobicContact CG2-CD2 4.22Å; V353-L443 HydrophobicContact CG2-CG 4.05Å; V353-L443 PolarHBondContact N-O 3.34Å; L385-L443 HydrophobicContact CB-CB 4.15Å; L385-L443 PolarHBondContact O-N 3.49Å; A413-L443 HydrophobicContact CB-CD1 4.1Å; W419-L443 HydrophobicContact CD2-CD1 4.04Å; W419-L443 HydrophobicContact CE3-CB 3.97Å; W419-L443 HydrophobicContact CE3-CD1 4.02Å; W419-L443 HydrophobicContact CH2-CB 4.05Å; W419-L443 HydrophobicContact CH2-CD1 4.02Å; W419-L443 HydrophobicContact CH2-CG 4.48Å; W419-L443 HydrophobicContact CZ2-CD1 4.06Å; W419-L443 HydrophobicContact CZ3-CB 3.55Å; W419-L443 HydrophobicContact CZ3-CD1 4.03Å; W419-L443 HydrophobicContact CZ3-CG 4.35Å
444	V	86.8	Confident	84.3	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	148.5	-176	-58.1	0	0	0	0	112.3	V351 L377 V380 T417 T418 A420 V442 L446	V351-V444 CarbonylContact O-C 3.54Å; V351-V444 VanDerWaalsContact O-CA 3.28Å; V351-V444 WeakPolarHBondContact O-CA 3.47Å; L377-V444 HydrophobicContact CD1-CG2 4.15Å; V380-V444 HydrophobicContact CG1-CG1 3.86Å; T417-V444 WeakPolarHBondContact CA-O 3.37Å; T418-V444 HydrophobicContact CG2-CG2 3.72Å; T418-V444 PolarHBondContact N-O 3Å; T418-V444 PolarHBondContact O-N 2.87Å; T418-V444 VanDerWaalsContact O-O 3.14Å; A420-V444 HydrophobicContact CB-CB 4.5Å; A420-V444 HydrophobicContact CB-CG1 3.9Å; A420-V444 HydrophobicContact CB-CG2 3.73Å; V442-V444 HydrophobicContact CB-CG1 4.27Å; V442-V444 HydrophobicContact CG1-CG1 4.05Å; V442-V444 PolarHBondContact O-N 3.23Å; V444-L446 HydrophobicContact CG2-CD2 4.33Å
445	E	85	Confident	84.3	Confident	4 Å²	4	31.1 Å²	31.1	2%	0.019	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	128	163.5	-167	168.8	150.2	0	0	108.6	V351 V353 W447 T485 M486	V351-E445 PolarHBondContact N-O 2.96Å; V351-E445 PolarHBondContact O-N 3.24Å; V353-E445 HydrophobicContact CG1-CB 4Å; E445-W447 WeakPolarHBondContact OE1-CZ2 3.48Å; E445-T485 VanDerWaalsContact OE2-CA 3.28Å; E445-T485 WeakPolarHBondContact OE2-CA 3.19Å; E445-T485 WeakPolarHBondContact OE2-CB 3.12Å; E445-M486 VanDerWaalsContact CD-N 3.27Å; E445-M486 HydrophobicContact CG-CB 4.44Å; E445-M486 WeakPolarHBondContact OE1-CB 3.19Å; E445-M486 WeakPolarHBondContact OE1-CG 3.35Å; E445-M486 PolarHBondContact OE1-N 2.96Å; E445-M486 PolarHBondContact OE2-N 3.01Å
446	L	83.5	Confident	84.1	Confident	23 Å²	23	30.8 Å²	30.8	12%	0.12	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	140	179.1	-68.3	-179.8	0	0	0	110	L377 T418 L425 V444 M513 L517	L377-L446 HydrophobicContact CD1-CD2 3.84Å; L377-L446 HydrophobicContact CD2-CD2 3.74Å; L377-L446 HydrophobicContact CG-CD2 4.38Å; T418-L446 HydrophobicContact CG2-CD1 3.77Å; T418-L446 HydrophobicContact CG2-CD2 4.32Å; T418-L446 HydrophobicContact CG2-CG 3.76Å; L425-L446 HydrophobicContact CD1-CD1 4.22Å; L425-L446 HydrophobicContact CD1-CD2 4.36Å; L425-L446 HydrophobicContact CD2-CD2 4.33Å; V444-L446 HydrophobicContact CG2-CD2 4.33Å; L446-M513 HydrophobicContact CB-CE 3.6Å; L446-M513 WeakPolarHBondContact O-CE 3.44Å; L446-L517 HydrophobicContact CD1-CD1 3.68Å
447	W	83.9	Confident	84.1	Confident	10 Å²	10	25.2 Å²	25.2	4%	0.038	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	132.3	172.9	-70.1	94.4	0	0	0	110.1	Y348 E349 E445 L477 A478 L481 M486 F506 L509	Y348-W447 CarbonylContact C-O 3.55Å; Y348-W447 VanDerWaalsContact CA-O 3.29Å; Y348-W447 WeakPolarHBondContact CA-O 3.39Å; E349-W447 PolarHBondContact N-O 3.27Å; E349-W447 PolarHBondContact O-N 3.38Å; E445-W447 WeakPolarHBondContact OE1-CZ2 3.48Å; W447-L477 HydrophobicContact CE3-CD2 4.37Å; W447-L477 HydrophobicContact CE3-CG 4.43Å; W447-A478 HydrophobicContact CB-CB 3.62Å; W447-A478 HydrophobicContact CD2-CB 4.38Å; W447-A478 HydrophobicContact CG-CB 3.7Å; W447-L481 HydrophobicContact CE3-CD1 4.12Å; W447-L481 HydrophobicContact CH2-CB 3.91Å; W447-L481 HydrophobicContact CH2-CD1 3.69Å; W447-L481 HydrophobicContact CH2-CG 4.46Å; W447-L481 HydrophobicContact CZ2-CB 4.41Å; W447-L481 HydrophobicContact CZ3-CB 4.17Å; W447-L481 HydrophobicContact CZ3-CD1 3.27Å; W447-L481 HydrophobicContact CZ3-CG 4.33Å; W447-M486 HydrophobicContact CH2-CG 4.06Å; W447-M486 HydrophobicContact CZ2-CG 4.15Å; W447-F506 HydrophobicContact CH2-CE1 4.31Å; W447-L509 HydrophobicContact CZ3-CD2 4.21Å
448	P	86.1	Confident	84.4	Confident	1 Å²	1	22.8 Å²	22.8	1%	0.006	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	141.3	174.4	29.7	-31.7	0	0	0	109.2	L318 Y348 V450 L477 L509 M513	L318-P448 HydrophobicContact CD1-CB 3.92Å; L318-P448 HydrophobicContact CD1-CG 4.06Å; L318-P448 HydrophobicContact CD2-CB 4.08Å; L318-P448 HydrophobicContact CG-CB 4.17Å; L318-P448 HydrophobicContact CG-CG 4.49Å; Y348-P448 HydrophobicContact CD1-CB 4.31Å; Y348-P448 HydrophobicContact CE1-CB 3.95Å; P448-V450 HydrophobicContact CB-CG2 4.19Å; P448-V450 HydrophobicContact CG-CG2 4.18Å; P448-V450 PolarHBondContact O-N 2.96Å; P448-L477 HydrophobicContact CG-CD2 3.97Å; P448-L509 HydrophobicContact CG-CD1 4.09Å; P448-M513 HydrophobicContact CB-CG 4.47Å; P448-M513 HydrophobicContact CG-CG 4.11Å; P448-M513 HydrophobicContact CG-SD 4.3Å
449	R	82.1	Confident	84.7	Confident	51 Å²	51	16.8 Å²	16.8	19%	0.192	9%	0.089	C	C	.	.			trans	-74.7	80.3	175.1	-67.2	-165.3	93.9	-166	13.2	111	V342 P346 Y347 E349 E379	V342-R449 HydrophobicContact CG2-CB 4.05Å; P346-R449 WeakPolarHBondContact O-CD 3.42Å; Y347-R449 PolarHBondContact O-N 3.44Å; E349-R449 HydrophobicContact CG-CG 3.69Å; E349-R449 IonicContact OE1-CZ 2.88Å; E349-R449 IonicContact OE1-NE 3.63Å; E349-R449 PolarHBondContact OE1-NE 3.32Å; E349-R449 IonicContact OE1-NH2 3.97Å; E349-R449 PolarHBondContact OE1-NH2 3.42Å; E349-R449 VanDerWaalsContact OE1-NH2 3.13Å; E379-R449 IonicContact OE2-NH2 2.71Å
450	V	87.3	Confident	84.2	Confident	1 Å²	1	19.1 Å²	19.1	1%	0.006	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	114.4	169.9	-175.4	0	0	0	0	107.5	A322 L339 C340 L341 P448 T476 L477	A322-V450 HydrophobicContact CB-CB 4.4Å; A322-V450 HydrophobicContact CB-CG1 4.3Å; A322-V450 HydrophobicContact CB-CG2 4.02Å; L339-V450 HydrophobicContact CB-CG1 3.72Å; L339-V450 HydrophobicContact CD2-CG1 4.14Å; L339-V450 HydrophobicContact CG-CG1 4.36Å; C340-V450 CarbonylContact O-C 3.55Å; C340-V450 VanDerWaalsContact O-CA 3.31Å; C340-V450 WeakPolarHBondContact O-CA 3.46Å; L341-V450 HydrophobicContact CD2-CG2 3.88Å; P448-V450 HydrophobicContact CB-CG2 4.19Å; P448-V450 HydrophobicContact CG-CG2 4.18Å; P448-V450 PolarHBondContact O-N 2.96Å; V450-T476 CarbonylContact O-C 3.57Å; V450-T476 WeakPolarHBondContact O-CA 3.37Å; V450-L477 HydrophobicContact CB-CB 4.1Å; V450-L477 HydrophobicContact CB-CD2 4.41Å; V450-L477 HydrophobicContact CG2-CD2 4.39Å; V450-L477 PolarHBondContact O-N 3.45Å
451	T	85.4	Confident	83.6	Confident	5 Å²	5	22.6 Å²	22.6	3%	0.031	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	132.5	176.7	48.3	0	0	0	0	110.4	L339 C340 L475 T476 E562	L339-T451 CarbonylContact C-O 3.54Å; L339-T451 WeakPolarHBondContact CA-O 3.38Å; C340-T451 WeakPolarHBondContact CB-OG1 3.17Å; C340-T451 PolarHBondContact N-O 2.95Å; C340-T451 PolarHBondContact O-N 2.72Å; C340-T451 PolarHBondContact O-OG1 3.47Å; T451-L475 CarbonylContact C-O 3.6Å; T451-L475 WeakPolarHBondContact CA-O 3.36Å; T451-T476 HydrophobicContact CG2-CG2 4.04Å; T451-E562 WeakPolarHBondContact CG2-OE1 3.39Å; T451-E562 VanDerWaalsContact OG1-CD 3.23Å; T451-E562 PolarHBondContact OG1-OE1 2.89Å; T451-E562 PolarHBondContact OG1-OE2 2.85Å
452	Y	85.9	Confident	82.9	Confident	35 Å²	35	25.9 Å²	25.9	14%	0.137	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	134.9	173.8	173.2	-86.8	0	0	0	110.5	L326 K333 C337 W338 L339 L475 L480	L326-Y452 HydrophobicContact CD2-CD2 3.92Å; L326-Y452 HydrophobicContact CD2-CE2 4.29Å; K333-Y452 HydrophobicContact CB-CE2 4.11Å; K333-Y452 WeakPolarHBondContact O-CE2 3.46Å; K333-Y452 PolarHBondContact O-OH 2.76Å; C337-Y452 HydrophobicContact CB-CD2 4.01Å; C337-Y452 HydrophobicContact CB-CE2 3.29Å; W338-Y452 WeakPolarHBondContact O-CA 3.21Å; L339-Y452 HydrophobicContact CD2-CD2 4.14Å; Y452-L475 PolarHBondContact N-O 3.17Å; Y452-L480 HydrophobicContact CD2-CD1 4.13Å; Y452-L480 HydrophobicContact CG-CD1 3.77Å
453	H	83.3	Confident	82.3	Confident	8 Å²	8	28.6 Å²	28.6	4%	0.037	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	136.3	174.4	-68.4	-77.1	0	0	0	110.8	W338 C340 Y457 V458 E562	W338-H453 HydrophobicContact CB-CB 4.14Å; W338-H453 PolarHBondContact N-O 3.23Å; W338-H453 PolarHBondContact O-N 3.34Å; C340-H453 PolarHBondContact SG-CD2 2.94Å; H453-Y457 HydrophobicContact CB-CD1 3.99Å; H453-Y457 AromaticContact CE1-CE1 3.54Å; H453-Y457 AromaticContact CG-CD1 3.84Å; H453-Y457 AromaticContact CG-CE1 3.98Å; H453-Y457 AromaticContact ND1-CD1 3.21Å; H453-Y457 WeakPolarHBondContact ND1-CD1 3.48Å; H453-Y457 AromaticContact ND1-CE1 3.15Å; H453-Y457 WeakPolarHBondContact ND1-CE1 3.33Å; H453-V458 HydrophobicContact CB-CG2 3.8Å; H453-E562 IonicContact CD2-OE2 3.78Å; H453-E562 IonicContact CE1-OE2 3.85Å; H453-E562 IonicContact NE2-OE2 3.75Å; H453-E562 PolarHBondContact NE2-OE2 3.46Å
454	S	80.4	Confident	80.6	Confident	43 Å²	43	40.9 Å²	40.9	30%	0.301	19%	0.189	S	C	.	.			trans	-67.3	148.3	171.5	76.7	0	0	0	0	110.2	S456 Y457 V458	S454-S456 PolarHBondContact O-N 3.26Å; S454-S456 PolarHBondContact OG-OG 3.5Å; S454-Y457 PolarHBondContact O-N 2.95Å; S454-Y457 VanDerWaalsContact O-N 3.11Å; S454-Y457 PolarHBondContact OG-N 2.96Å; S454-V458 PolarHBondContact O-N 3.32Å
455	P	82.8	Confident	78.9	Confident	14 Å²	14	48.7 Å²	48.7	9%	0.091	22%	0.219	C	C	.	.	H	α-helix	trans	-56.4	-40.1	177.2	-22.3	31.9	0	0	0	111.8	E336 Y457 V458 Y459	E336-P455 HydrophobicContact CB-CG 3.74Å; E336-P455 VanDerWaalsContact CD-CG 3.49Å; E336-P455 HydrophobicContact CG-CB 4.05Å; E336-P455 HydrophobicContact CG-CG 3.41Å; E336-P455 VanDerWaalsContact CG-CG 3.41Å; E336-P455 VanDerWaalsContact O-CD 3.28Å; E336-P455 WeakPolarHBondContact O-CD 3.42Å; E336-P455 WeakPolarHBondContact O-CG 3.45Å; P455-Y457 VanDerWaalsContact C-N 3.25Å; P455-Y457 PolarHBondContact O-N 3.17Å; P455-V458 PolarHBondContact O-N 3.36Å; P455-Y459 HydrophobicContact CB-CD2 3.92Å; P455-Y459 HydrophobicContact CB-CE2 3.33Å; P455-Y459 WeakPolarHBondContact O-CB 3.49Å; P455-Y459 WeakPolarHBondContact O-CD2 3.38Å; P455-Y459 PolarHBondContact O-N 3.36Å
456	S	74.4	Confident	77	Confident	73 Å²	73	53.2 Å²	53.2	51%	0.51	26%	0.257	S	S	.	.	H	α-helix	trans	-55.5	-38	179.2	72.6	0	0	0	0	113.5	S454 H460	S454-S456 PolarHBondContact O-N 3.26Å; S454-S456 PolarHBondContact OG-OG 3.5Å; S456-H460 VanDerWaalsContact O-CB 3.29Å; S456-H460 WeakPolarHBondContact O-CB 3.28Å; S456-H460 PolarHBondContact O-N 3.05Å; S456-H460 VanDerWaalsContact O-N 3.11Å
457	Y	78.2	Confident	75.2	Confident	26 Å²	26	59.8 Å²	59.8	10%	0.102	28%	0.284	C	S	.	.	H	α-helix	trans	-70.8	-51.6	177.8	166	-125.1	0	0	0	111.7	H453 S454 P455 Y459 H460 Q461 P472 L559	H453-Y457 HydrophobicContact CB-CD1 3.99Å; H453-Y457 AromaticContact CE1-CE1 3.54Å; H453-Y457 AromaticContact CG-CD1 3.84Å; H453-Y457 AromaticContact CG-CE1 3.98Å; H453-Y457 AromaticContact ND1-CD1 3.21Å; H453-Y457 WeakPolarHBondContact ND1-CD1 3.48Å; H453-Y457 AromaticContact ND1-CE1 3.15Å; H453-Y457 WeakPolarHBondContact ND1-CE1 3.33Å; S454-Y457 PolarHBondContact O-N 2.95Å; S454-Y457 VanDerWaalsContact O-N 3.11Å; S454-Y457 PolarHBondContact OG-N 2.96Å; P455-Y457 VanDerWaalsContact C-N 3.25Å; P455-Y457 PolarHBondContact O-N 3.17Å; Y457-Y459 VanDerWaalsContact C-N 3.32Å; Y457-Y459 PolarHBondContact O-N 3Å; Y457-H460 PolarHBondContact O-N 3.43Å; Y457-H460 VanDerWaalsContact O-N 3.17Å; Y457-Q461 PolarHBondContact O-N 2.83Å; Y457-P472 HydrophobicContact CD1-CG 3.98Å; Y457-P472 HydrophobicContact CD2-CB 4.29Å; Y457-P472 HydrophobicContact CD2-CG 2.98Å; Y457-P472 HydrophobicContact CE1-CG 4.12Å; Y457-P472 VanDerWaalsContact CE2-CD 3.44Å; Y457-P472 HydrophobicContact CE2-CG 3.13Å; Y457-P472 HydrophobicContact CG-CB 4.38Å; Y457-P472 HydrophobicContact CG-CG 3.39Å; Y457-L559 HydrophobicContact CD1-CD2 4.44Å; Y457-L559 HydrophobicContact CE1-CD2 3.77Å
458	V	80.9	Confident	73.2	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-58.4	-49.2	-178.1	179.7	0	0	0	0	109.5	W338 H453 S454 P455 H460 Q461 F462 L559 L580	W338-V458 HydrophobicContact CB-CG2 3.8Å; W338-V458 HydrophobicContact CD2-CB 4.32Å; W338-V458 HydrophobicContact CD2-CG1 3.94Å; W338-V458 HydrophobicContact CD2-CG2 4.15Å; W338-V458 HydrophobicContact CE3-CG1 4.45Å; W338-V458 HydrophobicContact CG-CB 4.12Å; W338-V458 HydrophobicContact CG-CG1 4.25Å; W338-V458 HydrophobicContact CG-CG2 3.59Å; W338-V458 HydrophobicContact CZ2-CG1 4.18Å; H453-V458 HydrophobicContact CB-CG2 3.8Å; S454-V458 PolarHBondContact O-N 3.32Å; P455-V458 PolarHBondContact O-N 3.36Å; V458-H460 PolarHBondContact O-N 3.42Å; V458-Q461 WeakPolarHBondContact O-CB 3.48Å; V458-Q461 PolarHBondContact O-N 2.95Å; V458-Q461 VanDerWaalsContact O-N 3.11Å; V458-F462 HydrophobicContact CG1-CD2 3.92Å; V458-F462 HydrophobicContact CG1-CE2 3.77Å; V458-F462 WeakPolarHBondContact O-CD2 3.2Å; V458-F462 PolarHBondContact O-N 3.32Å; V458-L559 HydrophobicContact CG2-CD2 4.15Å; V458-L580 HydrophobicContact CG1-CD1 4.43Å
459	Y	82.4	Confident	71.2	Confident	2 Å²	2	79.6 Å²	79.6	1%	0.008	37%	0.366	C	S	.	.	H	α-helix	trans	-58	-45.9	177.4	-59.5	-37.7	0	0	0	112.3	E336 W338 P455 Y457 Q461 F462 E463 L580 R583	E336-Y459 PolarHBondContact OE1-OH 3.45Å; W338-Y459 HydrophobicContact CZ2-CE1 4.26Å; P455-Y459 HydrophobicContact CB-CD2 3.92Å; P455-Y459 HydrophobicContact CB-CE2 3.33Å; P455-Y459 WeakPolarHBondContact O-CB 3.49Å; P455-Y459 WeakPolarHBondContact O-CD2 3.38Å; P455-Y459 PolarHBondContact O-N 3.36Å; Y457-Y459 VanDerWaalsContact C-N 3.32Å; Y457-Y459 PolarHBondContact O-N 3Å; Y459-Q461 VanDerWaalsContact C-N 3.28Å; Y459-Q461 PolarHBondContact O-N 3.28Å; Y459-F462 PolarHBondContact O-N 3.16Å; Y459-F462 VanDerWaalsContact O-N 3.14Å; Y459-E463 VanDerWaalsContact O-CG 3.26Å; Y459-E463 WeakPolarHBondContact O-CG 2.97Å; Y459-E463 PolarHBondContact O-N 3.26Å; Y459-L580 HydrophobicContact CD1-CD1 3.45Å; Y459-L580 VanDerWaalsContact CD1-CD1 3.45Å; Y459-L580 HydrophobicContact CE1-CD1 3.67Å; Y459-R583 HydrophobicContact CD1-CB 4.34Å; Y459-R583 HydrophobicContact CE1-CB 3.72Å; Y459-R583 HydrophobicContact CE1-CG 4.17Å
460	H	75.4	Confident	69.3	Low	81 Å²	81	87.9 Å²	87.9	38%	0.375	40%	0.397	S	S	.	.	H	α-helix	trans	-61.1	-35.9	177.4	-175.9	-76	0	0	0	112.7	S456 Y457 V458 F462 E463	S456-H460 VanDerWaalsContact O-CB 3.29Å; S456-H460 WeakPolarHBondContact O-CB 3.28Å; S456-H460 PolarHBondContact O-N 3.05Å; S456-H460 VanDerWaalsContact O-N 3.11Å; Y457-H460 PolarHBondContact O-N 3.43Å; Y457-H460 VanDerWaalsContact O-N 3.17Å; V458-H460 PolarHBondContact O-N 3.42Å; H460-F462 VanDerWaalsContact C-N 3.28Å; H460-F462 PolarHBondContact O-N 3.41Å; H460-E463 PolarHBondContact O-N 2.83Å
461	Q	77.4	Confident	67	Low	95 Å²	95	93.1 Å²	93.1	44%	0.444	42%	0.421	S	S	.	.	H	α-helix	trans	-66.9	-30	178.4	-171	62.4	26.8	0	0	112.5	Y457 V458 Y459 L559	Y457-Q461 PolarHBondContact O-N 2.83Å; V458-Q461 WeakPolarHBondContact O-CB 3.48Å; V458-Q461 PolarHBondContact O-N 2.95Å; V458-Q461 VanDerWaalsContact O-N 3.11Å; Y459-Q461 VanDerWaalsContact C-N 3.28Å; Y459-Q461 PolarHBondContact O-N 3.28Å; Q461-L559 HydrophobicContact CB-CD1 3.82Å; Q461-L559 HydrophobicContact CG-CD1 3.57Å
462	F	78.1	Confident	65.1	Low	72 Å²	72	95.5 Å²	95.5	32%	0.316	44%	0.437	S	S	.	.	H	α-helix	trans	-92.2	-17.4	177.1	-72	-79.2	0	0	0	113.6	V458 Y459 H460 A557 A558 L559 L580 L584	V458-F462 HydrophobicContact CG1-CD2 3.92Å; V458-F462 HydrophobicContact CG1-CE2 3.77Å; V458-F462 WeakPolarHBondContact O-CD2 3.2Å; V458-F462 PolarHBondContact O-N 3.32Å; Y459-F462 PolarHBondContact O-N 3.16Å; Y459-F462 VanDerWaalsContact O-N 3.14Å; H460-F462 VanDerWaalsContact C-N 3.28Å; H460-F462 PolarHBondContact O-N 3.41Å; F462-A557 HydrophobicContact CE2-CB 4.4Å; F462-A557 HydrophobicContact CZ-CB 4.24Å; F462-A558 VanDerWaalsContact CZ-O 3.23Å; F462-A558 WeakPolarHBondContact CZ-O 3.34Å; F462-L559 HydrophobicContact CE2-CD1 3.83Å; F462-L559 HydrophobicContact CZ-CD1 4.38Å; F462-L580 HydrophobicContact CD1-CD2 4.34Å; F462-L580 HydrophobicContact CD2-CD1 4.23Å; F462-L580 HydrophobicContact CD2-CD2 3.69Å; F462-L580 HydrophobicContact CE1-CD2 4.31Å; F462-L580 HydrophobicContact CE2-CD2 3.68Å; F462-L580 HydrophobicContact CG-CD2 4.05Å; F462-L580 HydrophobicContact CZ-CD2 3.99Å; F462-L584 HydrophobicContact CB-CD1 3.76Å; F462-L584 HydrophobicContact CB-CD2 4.28Å
463	E	77.7	Confident	63.4	Low	57 Å²	57	95.6 Å²	95.6	27%	0.266	44%	0.441	S	S	.	.	S	Bend	trans	-71.1	124.6	171.3	-74.2	168.5	-158.3	0	0	110	Y459 H460 R465 L584 R587	Y459-E463 VanDerWaalsContact O-CG 3.26Å; Y459-E463 WeakPolarHBondContact O-CG 2.97Å; Y459-E463 PolarHBondContact O-N 3.26Å; H460-E463 PolarHBondContact O-N 2.83Å; E463-R465 PolarHBondContact O-N 3.42Å; E463-L584 HydrophobicContact CG-CD2 3.61Å; E463-R587 WeakPolarHBondContact OE1-CD 3.37Å; E463-R587 IonicContact OE1-CZ 3.2Å; E463-R587 IonicContact OE1-NE 3.37Å; E463-R587 IonicContact OE1-NH1 2.79Å; E463-R587 PolarHBondContact OE1-NH1 3.24Å
464	R	54.8	Low	62.3	Low	257 Å²	257	96.1 Å²	96.1	97%	0.97	45%	0.445	S	S	*	.	S	Bend	trans	-65.6	19.6	-172.4	-88.2	-176.8	173.9	-179.9	-1.4	116.6
465	R	52.8	Low	61.6	Low	165 Å²	165	95 Å²	95	62%	0.623	44%	0.436	S	S	*	.			trans	-106.5	107.9	179.8	-80.4	-172.1	175.5	174.7	1.7	112.2	E463 K467	E463-R465 PolarHBondContact O-N 3.42Å; R465-K467 VanDerWaalsContact C-N 3.34Å; R465-K467 PolarHBondContact O-N 3Å
466	A	45.1	Very low	61.2	Low	99 Å²	99	94.9 Å²	94.9	82%	0.818	44%	0.435	S	S	*	.			trans	-67.6	89.8	161.9	0	0	0	0	0	109.9
467	K	44.5	Very low	61.2	Low	160 Å²	160	91.5 Å²	91.5	70%	0.696	41%	0.411	S	S	*	.			trans	-113	121.6	154.8	-78.9	-170	177.2	-176.7	0	108.1	R465 K469	R465-K467 VanDerWaalsContact C-N 3.34Å; R465-K467 PolarHBondContact O-N 3Å; K467-K469 PolarHBondContact O-N 2.99Å
468	Y	41.4	Very low	60.9	Low	243 Å²	243	90.7 Å²	90.7	95%	0.953	41%	0.41	S	S	*	.			trans	-54.4	107.4	177.7	-65.8	-88.9	0	0	0	110.1
469	K	43.7	Very low	60.1	Low	185 Å²	185	91.8 Å²	91.8	80%	0.804	42%	0.416	S	S	*	.			trans	-139.5	142.7	167.3	-155.2	170.8	-177.2	-178.3	0	107.8	K467	K467-K469 PolarHBondContact O-N 2.99Å
470	R	42.3	Very low	59.3	Low	225 Å²	225	92.4 Å²	92.4	85%	0.849	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-46.2	137.5	-174.8	-69	178.6	177.6	160.8	-1.2	110.6
471	E	40.3	Very low	59	Low	111 Å²	111	88.8 Å²	88.8	52%	0.519	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-54.3	124.6	170.8	-69	-164.9	130.3	0	0	108.6	K560	E471-K560 IonicContact OE1-NZ 3.93Å; E471-K560 PolarHBondContact OE1-NZ 3.18Å
472	P	44.3	Very low	57.9	Low	54 Å²	54	85.9 Å²	85.9	35%	0.351	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-71.7	147.8	175.4	24.9	-24.2	0	0	0	109.4	Y457 S474	Y457-P472 HydrophobicContact CD1-CG 3.98Å; Y457-P472 HydrophobicContact CD2-CB 4.29Å; Y457-P472 HydrophobicContact CD2-CG 2.98Å; Y457-P472 HydrophobicContact CE1-CG 4.12Å; Y457-P472 VanDerWaalsContact CE2-CD 3.44Å; Y457-P472 HydrophobicContact CE2-CG 3.13Å; Y457-P472 HydrophobicContact CG-CB 4.38Å; Y457-P472 HydrophobicContact CG-CG 3.39Å; P472-S474 PolarHBondContact O-N 3.46Å
473	V	50.4	Low	56.6	Low	38 Å²	38	84.7 Å²	84.7	23%	0.23	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-78.8	121.7	-178.8	-178.2	0	0	0	0	109.2	P64 T67	P64-V473 HydrophobicContact CB-CB 4.25Å; P64-V473 HydrophobicContact CB-CG1 3.17Å; P64-V473 HydrophobicContact CB-CG2 4.31Å; P64-V473 HydrophobicContact CG-CG1 3.26Å; T67-V473 HydrophobicContact CG2-CB 3.49Å; T67-V473 VanDerWaalsContact CG2-CB 3.49Å; T67-V473 HydrophobicContact CG2-CG1 3.87Å; T67-V473 HydrophobicContact CG2-CG2 3.57Å
474	S	60.3	Low	55.6	Low	18 Å²	18	84.4 Å²	84.4	13%	0.126	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-72.7	134.7	168	56.3	0	0	0	0	110.6	H39 P472	H39-S474 PolarHBondContact CE1-OG 3.15Å; H39-S474 PolarHBondContact ND1-N 3.12Å; H39-S474 PolarHBondContact ND1-OG 3.39Å; P472-S474 PolarHBondContact O-N 3.46Å
475	L	65.8	Low	55.6	Low	20 Å²	20	73 Å²	73	11%	0.105	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	127.1	174.5	-63.4	175.4	0	0	0	108.9	P64 T451 Y452 L480	P64-L475 HydrophobicContact CG-CD2 3.98Å; T451-L475 CarbonylContact C-O 3.6Å; T451-L475 WeakPolarHBondContact CA-O 3.36Å; Y452-L475 PolarHBondContact N-O 3.17Å; L475-L480 HydrophobicContact CB-CD1 4.45Å; L475-L480 HydrophobicContact CB-CD2 4.13Å; L475-L480 HydrophobicContact CB-CG 4.08Å; L475-L480 HydrophobicContact CD1-CD2 3.76Å
476	T	74.9	Confident	55.8	Low	12 Å²	12	66.4 Å²	66.4	7%	0.074	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	156.5	174.8	66.8	0	0	0	0	110.8	E349 V450 T451 A478 L479 L480	E349-T476 WeakPolarHBondContact OE1-CG2 3.22Å; E349-T476 WeakPolarHBondContact OE2-CB 3.29Å; E349-T476 PolarHBondContact OE2-OG1 2.93Å; V450-T476 CarbonylContact O-C 3.57Å; V450-T476 WeakPolarHBondContact O-CA 3.37Å; T451-T476 HydrophobicContact CG2-CG2 4.04Å; T476-A478 PolarHBondContact O-N 3.33Å; T476-L479 WeakPolarHBondContact O-CB 3.29Å; T476-L479 PolarHBondContact O-N 3.03Å; T476-L479 WeakPolarHBondContact OG1-CG 3.21Å; T476-L480 PolarHBondContact O-N 3.49Å
477	L	74.8	Confident	56	Low	1 Å²	1	63.1 Å²	63.1	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-56.1	-40.1	178.5	-172.7	68	0	0	0	112.1	A322 W447 P448 V450 L479 L480 L481 L509	A322-L477 HydrophobicContact CB-CD1 4.17Å; A322-L477 HydrophobicContact CB-CD2 3.5Å; A322-L477 HydrophobicContact CB-CG 4.46Å; W447-L477 HydrophobicContact CE3-CD2 4.37Å; W447-L477 HydrophobicContact CE3-CG 4.43Å; P448-L477 HydrophobicContact CG-CD2 3.97Å; V450-L477 HydrophobicContact CB-CB 4.1Å; V450-L477 HydrophobicContact CB-CD2 4.41Å; V450-L477 HydrophobicContact CG2-CD2 4.39Å; V450-L477 PolarHBondContact O-N 3.45Å; L477-L479 PolarHBondContact O-N 3.41Å; L477-L480 PolarHBondContact O-N 3.5Å; L477-L481 HydrophobicContact CD1-CD1 3.69Å; L477-L481 HydrophobicContact CD1-CG 4.15Å; L477-L481 HydrophobicContact CD2-CD1 4.41Å; L477-L481 HydrophobicContact CG-CD1 3.73Å; L477-L481 HydrophobicContact CG-CG 4.38Å; L477-L481 WeakPolarHBondContact O-CB 3.3Å; L477-L481 WeakPolarHBondContact O-CG 3.35Å; L477-L481 PolarHBondContact O-N 3.22Å; L477-L509 HydrophobicContact CD2-CD2 4.16Å
478	A	71	Confident	56.4	Low	9 Å²	9	55.7 Å²	55.7	7%	0.074	29%	0.286	C	S	.	.	H	α-helix	trans	-57.9	-32.6	175.2	0	0	0	0	0	113	W447 T476 G482	W447-A478 HydrophobicContact CB-CB 3.62Å; W447-A478 HydrophobicContact CD2-CB 4.38Å; W447-A478 HydrophobicContact CG-CB 3.7Å; T476-A478 PolarHBondContact O-N 3.33Å; A478-G482 WeakPolarHBondContact O-CA 3.35Å; A478-G482 PolarHBondContact O-N 2.92Å
479	L	63.7	Low	57	Low	24 Å²	24	49 Å²	49	13%	0.126	27%	0.265	C	S	.	.	H	α-helix	trans	-82.3	-36.8	177.7	-61.6	171.5	0	0	0	112.4	V41 N62 T476 L477 L481 G482	V41-L479 HydrophobicContact CB-CD1 4.46Å; V41-L479 HydrophobicContact CB-CD2 4.24Å; V41-L479 HydrophobicContact CG1-CD1 4.3Å; V41-L479 HydrophobicContact CG1-CD2 3.46Å; V41-L479 VanDerWaalsContact CG1-CD2 3.46Å; V41-L479 HydrophobicContact CG1-CG 4.5Å; V41-L479 HydrophobicContact CG2-CD1 3.31Å; V41-L479 HydrophobicContact CG2-CD2 3.83Å; V41-L479 HydrophobicContact CG2-CG 4.18Å; N62-L479 HydrophobicContact CB-CD2 3.96Å; T476-L479 WeakPolarHBondContact O-CB 3.29Å; T476-L479 PolarHBondContact O-N 3.03Å; T476-L479 WeakPolarHBondContact OG1-CG 3.21Å; L477-L479 PolarHBondContact O-N 3.41Å; L479-L481 VanDerWaalsContact C-N 3.26Å; L479-L481 PolarHBondContact O-N 3.01Å; L479-G482 PolarHBondContact O-N 3.16Å
480	L	66.9	Low	57.2	Low	15 Å²	15	42.2 Å²	42.2	8%	0.079	24%	0.244	C	C	.	.	H	α-helix	trans	-67.6	-32.5	177.1	-72.9	175.8	0	0	0	112.3	L326 K333 Y452 L475 T476 L477	L326-L480 HydrophobicContact CD1-CB 4Å; L326-L480 HydrophobicContact CD1-CD1 4.03Å; L326-L480 HydrophobicContact CD2-CD1 4.27Å; K333-L480 HydrophobicContact CD-CD2 3.96Å; Y452-L480 HydrophobicContact CD2-CD1 4.13Å; Y452-L480 HydrophobicContact CG-CD1 3.77Å; L475-L480 HydrophobicContact CB-CD1 4.45Å; L475-L480 HydrophobicContact CB-CD2 4.13Å; L475-L480 HydrophobicContact CB-CG 4.08Å; L475-L480 HydrophobicContact CD1-CD2 3.76Å; T476-L480 PolarHBondContact O-N 3.49Å; L477-L480 PolarHBondContact O-N 3.5Å
481	L	69.3	Low	57	Low	4 Å²	4	32.8 Å²	32.8	2%	0.021	21%	0.214	C	C	.	.	S	Bend	trans	-99.1	-2.6	176.7	-55.8	179.1	0	0	0	112	A325 L326 T329 W447 L477 L479 G483 L484 F506	A325-L481 HydrophobicContact CB-CD1 4.01Å; L326-L481 HydrophobicContact CD1-CD2 4.36Å; T329-L481 HydrophobicContact CG2-CD2 3.97Å; T329-L481 WeakPolarHBondContact OG1-CD2 3.34Å; W447-L481 HydrophobicContact CE3-CD1 4.12Å; W447-L481 HydrophobicContact CH2-CB 3.91Å; W447-L481 HydrophobicContact CH2-CD1 3.69Å; W447-L481 HydrophobicContact CH2-CG 4.46Å; W447-L481 HydrophobicContact CZ2-CB 4.41Å; W447-L481 HydrophobicContact CZ3-CB 4.17Å; W447-L481 HydrophobicContact CZ3-CD1 3.27Å; W447-L481 HydrophobicContact CZ3-CG 4.33Å; L477-L481 HydrophobicContact CD1-CD1 3.69Å; L477-L481 HydrophobicContact CD1-CG 4.15Å; L477-L481 HydrophobicContact CD2-CD1 4.41Å; L477-L481 HydrophobicContact CG-CD1 3.73Å; L477-L481 HydrophobicContact CG-CG 4.38Å; L477-L481 WeakPolarHBondContact O-CB 3.3Å; L477-L481 WeakPolarHBondContact O-CG 3.35Å; L477-L481 PolarHBondContact O-N 3.22Å; L479-L481 VanDerWaalsContact C-N 3.26Å; L479-L481 PolarHBondContact O-N 3.01Å; L481-G483 PolarHBondContact O-N 3.12Å; L481-G483 VanDerWaalsContact O-N 3.1Å; L481-L484 WeakPolarHBondContact O-CB 3.32Å; L481-L484 PolarHBondContact O-N 3.29Å; L481-F506 HydrophobicContact CD1-CE1 4.29Å
482	G	52.7	Low	56.9	Low	34 Å²	34	31 Å²	31	35%	0.351	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	108.2	-173.7	0	0	0	0	0	111.8	A478 L479	A478-G482 WeakPolarHBondContact O-CA 3.35Å; A478-G482 PolarHBondContact O-N 2.92Å; L479-G482 PolarHBondContact O-N 3.16Å
483	G	52.5	Low	56.3	Low	47 Å²	47	31.5 Å²	31.5	49%	0.485	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	132.9	-14.4	-168.3	0	0	0	0	0	112.2	L481	L481-G483 PolarHBondContact O-N 3.12Å; L481-G483 VanDerWaalsContact O-N 3.1Å
484	L	55.8	Low	55.3	Low	51 Å²	51	34.1 Å²	34.1	27%	0.267	26%	0.263	S	S	.	.			trans	-111.8	125	174.1	-66.8	173.3	0	0	0	108.8	T329 L481 L500	T329-L484 HydrophobicContact CG2-CD1 3.34Å; L481-L484 WeakPolarHBondContact O-CB 3.32Å; L481-L484 PolarHBondContact O-N 3.29Å; L484-L500 HydrophobicContact CB-CD1 3.59Å; L484-L500 HydrophobicContact CD1-CD1 4.04Å; L484-L500 HydrophobicContact CD2-CD1 3.87Å; L484-L500 HydrophobicContact CD2-CG 4.13Å; L484-L500 HydrophobicContact CG-CD1 4.02Å
485	T	54.4	Low	54.1	Low	19 Å²	19	36.3 Å²	36.3	12%	0.117	28%	0.275	C	S	.	.			trans	-107.9	134.8	175	52.7	0	0	0	0	109.8	V353 E445 G488 L500	V353-T485 HydrophobicContact CG1-CG2 3.98Å; E445-T485 VanDerWaalsContact OE2-CA 3.28Å; E445-T485 WeakPolarHBondContact OE2-CA 3.19Å; E445-T485 WeakPolarHBondContact OE2-CB 3.12Å; T485-G488 WeakPolarHBondContact CB-O 3.18Å; T485-G488 PolarHBondContact OG1-O 2.86Å; T485-L500 PolarHBondContact O-N 2.74Å
486	M	57.2	Low	52.5	Low	26 Å²	26	39.7 Å²	39.7	13%	0.128	32%	0.315	C	S	.	.	S	Bend	trans	-82.8	-20.9	-175.4	-67.7	-81.3	-73.9	0	0	113.6	E445 W447 F506	E445-M486 VanDerWaalsContact CD-N 3.27Å; E445-M486 HydrophobicContact CG-CB 4.44Å; E445-M486 WeakPolarHBondContact OE1-CB 3.19Å; E445-M486 WeakPolarHBondContact OE1-CG 3.35Å; E445-M486 PolarHBondContact OE1-N 2.96Å; E445-M486 PolarHBondContact OE2-N 3.01Å; W447-M486 HydrophobicContact CH2-CG 4.06Å; W447-M486 HydrophobicContact CZ2-CG 4.15Å; M486-F506 HydrophobicContact CE-CB 3.29Å; M486-F506 HydrophobicContact CE-CD1 3.55Å; M486-F506 HydrophobicContact CE-CG 3.69Å; M486-F506 WeakPolarHBondContact CE-O 3.24Å; M486-F506 HydrophobicContact SD-CB 3.46Å; M486-F506 WeakPolarHBondContact SD-CB 3.44Å; M486-F506 HydrophobicContact SD-CD1 3.05Å; M486-F506 WeakPolarHBondContact SD-CD1 3.18Å; M486-F506 HydrophobicContact SD-CD2 3.95Å; M486-F506 HydrophobicContact SD-CE1 3.67Å; M486-F506 HydrophobicContact SD-CG 3.21Å; M486-F506 WeakPolarHBondContact SD-CG 3.35Å; M486-F506 HydrophobicContact SD-CZ 4.37Å
487	G	49.6	Very low	50.8	Low	30 Å²	30	42.1 Å²	42.1	31%	0.309	33%	0.33	S	S	.	.	S	Bend	trans	-158.5	-1.8	-179.7	0	0	0	0	0	115.1	T415	T415-G487 WeakPolarHBondContact O-CA 3.36Å
488	G	53.6	Low	49	Very low	3 Å²	3	47.8 Å²	47.8	3%	0.031	36%	0.364	C	S	.	.	S	Bend	trans	-103.6	166	179.2	0	0	0	0	0	114	L354 T485	L354-G488 CarbonylContact O-C 3.52Å; L354-G488 WeakPolarHBondContact O-CA 3.19Å; T485-G488 WeakPolarHBondContact CB-O 3.18Å; T485-G488 PolarHBondContact OG1-O 2.86Å
489	I	52.7	Low	47.6	Very low	102 Å²	102	50.1 Å²	50.1	52%	0.523	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-88.3	132.7	165.1	-57.8	171.1	0	0	0	107.1	L354 A491	L354-I489 WeakPolarHBondContact CA-O 3.41Å; L354-I489 HydrophobicContact CB-CB 3.97Å; L354-I489 HydrophobicContact CB-CG2 4.45Å; L354-I489 VanDerWaalsContact CB-O 3.26Å; L354-I489 WeakPolarHBondContact CB-O 3.21Å; L354-I489 PolarHBondContact N-O 2.81Å; L354-I489 PolarHBondContact O-N 3.42Å; I489-A491 PolarHBondContact O-N 3.2Å
490	A	48.3	Very low	46.9	Very low	43 Å²	43	51 Å²	51	36%	0.355	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-67.9	126.1	177.7	0	0	0	0	0	110.5
491	A	38.1	Very low	46.1	Very low	27 Å²	27	56.4 Å²	56.4	22%	0.223	42%	0.422	C	S	.	.			trans	-88.6	110.8	171	0	0	0	0	0	109.2	L354 Q383 N399 I489	L354-A491 HydrophobicContact CD1-CB 3.41Å; L354-A491 VanDerWaalsContact CD1-CB 3.41Å; L354-A491 HydrophobicContact CD2-CB 4.42Å; L354-A491 HydrophobicContact CG-CB 3.47Å; L354-A491 VanDerWaalsContact CG-CB 3.47Å; Q383-A491 WeakPolarHBondContact O-CB 3.49Å; N399-A491 HydrophobicContact CB-CB 4.47Å; N399-A491 WeakPolarHBondContact ND2-CB 2.87Å; I489-A491 PolarHBondContact O-N 3.2Å
492	G	38.3	Very low	45.4	Very low	73 Å²	73	58.8 Å²	58.8	75%	0.753	44%	0.442	S	S	*	.	S	Bend	trans	67.6	62.8	163.7	0	0	0	0	0	115.7
493	V	32.5	Very low	46.1	Very low	65 Å²	65	59 Å²	59	39%	0.394	44%	0.436	S	S	.	.			trans	-135	117.5	150.7	-172.1	0	0	0	0	106.6	T495	V493-T495 HydrophobicContact CG1-CG2 4.36Å; V493-T495 WeakPolarHBondContact CG1-OG1 3.46Å; V493-T495 PolarHBondContact O-N 3.08Å
494	G	30.1	Very low	47.2	Very low	94 Å²	94	63 Å²	63	97%	0.969	44%	0.443	S	S	*	.			trans	-71	43	-177.5	0	0	0	0	0	114.1
495	T	34.4	Very low	48.4	Very low	63 Å²	63	63.8 Å²	63.8	39%	0.387	45%	0.445	S	S	.	.	S	Bend	trans	-118	135.3	170.4	49.4	0	0	0	0	106.4	V493 T497	V493-T495 HydrophobicContact CG1-CG2 4.36Å; V493-T495 WeakPolarHBondContact CG1-OG1 3.46Å; V493-T495 PolarHBondContact O-N 3.08Å; T495-T497 PolarHBondContact O-N 3.49Å; T495-T497 PolarHBondContact O-OG1 3.46Å; T495-T497 WeakPolarHBondContact OG1-CG2 3.36Å
496	G	31.8	Very low	49.5	Very low	91 Å²	91	63 Å²	63	94%	0.938	44%	0.44	S	S	*	.			trans	-65.7	56.8	174.5	0	0	0	0	0	113	T498	G496-T498 PolarHBondContact O-N 2.96Å
497	T	39.2	Very low	50.5	Low	64 Å²	64	66.7 Å²	66.7	39%	0.393	46%	0.457	S	S	.	.			trans	-75.6	113.7	176.6	47.3	0	0	0	0	108.1	T495	T495-T497 PolarHBondContact O-N 3.49Å; T495-T497 PolarHBondContact O-OG1 3.46Å; T495-T497 WeakPolarHBondContact OG1-CG2 3.36Å
498	T	38.1	Very low	52.2	Low	119 Å²	119	69.1 Å²	69.1	73%	0.73	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-65.9	133.9	169.3	47.7	0	0	0	0	108.9	G496 L500	G496-T498 PolarHBondContact O-N 2.96Å; T498-L500 PolarHBondContact O-N 3.17Å
499	A	40.6	Very low	53.7	Low	59 Å²	59	69 Å²	69	49%	0.488	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-49.8	133.9	160.4	0	0	0	0	0	108	V501	A499-V501 PolarHBondContact O-N 3.27Å
500	L	49.9	Very low	55.1	Low	41 Å²	41	67.2 Å²	67.2	22%	0.215	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-65.5	123	176.2	-88.3	151.7	0	0	0	108.2	L484 T485 T498 A502 T503 F506	L484-L500 HydrophobicContact CB-CD1 3.59Å; L484-L500 HydrophobicContact CD1-CD1 4.04Å; L484-L500 HydrophobicContact CD2-CD1 3.87Å; L484-L500 HydrophobicContact CD2-CG 4.13Å; L484-L500 HydrophobicContact CG-CD1 4.02Å; T485-L500 PolarHBondContact O-N 2.74Å; T498-L500 PolarHBondContact O-N 3.17Å; L500-A502 PolarHBondContact O-N 2.83Å; L500-T503 HydrophobicContact CD2-CG2 4.49Å; L500-F506 HydrophobicContact CD1-CD2 4.11Å; L500-F506 HydrophobicContact CD1-CE2 3.49Å; L500-F506 VanDerWaalsContact CD1-CE2 3.49Å; L500-F506 HydrophobicContact CD1-CZ 3.83Å; L500-F506 HydrophobicContact CD2-CD2 4.36Å; L500-F506 HydrophobicContact CD2-CE2 3.94Å; L500-F506 HydrophobicContact CG-CE2 4.35Å
501	V	49.3	Very low	56.8	Low	130 Å²	130	67.8 Å²	67.8	79%	0.788	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-61.2	121.7	158.5	-178.6	0	0	0	0	106	A499 T503	A499-V501 PolarHBondContact O-N 3.27Å; V501-T503 WeakPolarHBondContact O-CG2 3.41Å; V501-T503 PolarHBondContact O-N 3.47Å
502	A	53.6	Low	59.1	Low	53 Å²	53	66.9 Å²	66.9	44%	0.438	45%	0.445	S	S	.	.			trans	-47	101.9	-175.3	0	0	0	0	0	111.7	L500 Q507	L500-A502 PolarHBondContact O-N 2.83Å; A502-Q507 HydrophobicContact CB-CG 4.38Å
503	T	67.5	Low	61.3	Low	38 Å²	38	64.1 Å²	64.1	23%	0.233	41%	0.413	C	S	.	.			trans	-80.1	157	175.5	72.8	0	0	0	0	109.9	L328 L500 V501 Q505 F506 Q507	L328-T503 HydrophobicContact CD2-CG2 4.04Å; L328-T503 WeakPolarHBondContact CD2-OG1 3.25Å; L500-T503 HydrophobicContact CD2-CG2 4.49Å; V501-T503 WeakPolarHBondContact O-CG2 3.41Å; V501-T503 PolarHBondContact O-N 3.47Å; T503-Q505 PolarHBondContact O-N 2.87Å; T503-Q505 PolarHBondContact OG1-OE1 2.83Å; T503-F506 HydrophobicContact CG2-CD2 4.48Å; T503-F506 PolarHBondContact O-N 2.91Å; T503-F506 VanDerWaalsContact O-N 3.13Å; T503-F506 WeakPolarHBondContact OG1-CD2 3.06Å; T503-Q507 WeakPolarHBondContact O-CG 3.31Å; T503-Q507 PolarHBondContact O-N 2.85Å
504	Q	76.8	Confident	63.7	Low	133 Å²	133	67.1 Å²	67.1	62%	0.621	42%	0.422	S	S	*	.	H	α-helix	trans	-58.6	-34.9	-178.6	-170.5	178.1	9	0	0	112.6	F506 Q507 Q508	Q504-F506 VanDerWaalsContact C-N 3.34Å; Q504-Q507 PolarHBondContact O-N 3.35Å; Q504-Q508 WeakPolarHBondContact O-CG 3.49Å; Q504-Q508 PolarHBondContact O-N 3.06Å
505	Q	80.6	Confident	66.2	Low	67 Å²	67	67.1 Å²	67.1	31%	0.313	40%	0.4	S	S	.	.	H	α-helix	trans	-65	-40.8	178.7	-64.1	81.1	-2.4	0	0	111.5	Q324 T503 Q508 L509	Q324-Q505 HydrophobicContact CB-CB 4.04Å; Q324-Q505 HydrophobicContact CB-CG 4.16Å; T503-Q505 PolarHBondContact O-N 2.87Å; T503-Q505 PolarHBondContact OG1-OE1 2.83Å; Q505-Q508 WeakPolarHBondContact O-CB 3.48Å; Q505-Q508 PolarHBondContact O-N 2.93Å; Q505-L509 PolarHBondContact O-N 3.15Å; Q505-L509 VanDerWaalsContact O-N 3.17Å
506	F	76.8	Confident	68.6	Low	1 Å²	1	64.1 Å²	64.1	0%	0.004	38%	0.382	C	S	.	.	H	α-helix	trans	-72.3	-37.6	179.5	-88.7	-51.5	0	0	0	111.8	A325 L328 T329 W447 L481 M486 L500 T503 Q504 Q508 L509 Q510	A325-F506 HydrophobicContact CB-CD1 3.82Å; A325-F506 HydrophobicContact CB-CE1 3.49Å; A325-F506 VanDerWaalsContact CB-CE1 3.49Å; A325-F506 HydrophobicContact CB-CZ 4.17Å; L328-F506 HydrophobicContact CD2-CD2 4.04Å; L328-F506 HydrophobicContact CD2-CE2 3.83Å; T329-F506 HydrophobicContact CG2-CE2 4.2Å; T329-F506 HydrophobicContact CG2-CZ 3.79Å; W447-F506 HydrophobicContact CH2-CE1 4.31Å; L481-F506 HydrophobicContact CD1-CE1 4.29Å; M486-F506 HydrophobicContact CE-CB 3.29Å; M486-F506 HydrophobicContact CE-CD1 3.55Å; M486-F506 HydrophobicContact CE-CG 3.69Å; M486-F506 WeakPolarHBondContact CE-O 3.24Å; M486-F506 HydrophobicContact SD-CB 3.46Å; M486-F506 WeakPolarHBondContact SD-CB 3.44Å; M486-F506 HydrophobicContact SD-CD1 3.05Å; M486-F506 WeakPolarHBondContact SD-CD1 3.18Å; M486-F506 HydrophobicContact SD-CD2 3.95Å; M486-F506 HydrophobicContact SD-CE1 3.67Å; M486-F506 HydrophobicContact SD-CG 3.21Å; M486-F506 WeakPolarHBondContact SD-CG 3.35Å; M486-F506 HydrophobicContact SD-CZ 4.37Å; L500-F506 HydrophobicContact CD1-CD2 4.11Å; L500-F506 HydrophobicContact CD1-CE2 3.49Å; L500-F506 VanDerWaalsContact CD1-CE2 3.49Å; L500-F506 HydrophobicContact CD1-CZ 3.83Å; L500-F506 HydrophobicContact CD2-CD2 4.36Å; L500-F506 HydrophobicContact CD2-CE2 3.94Å; L500-F506 HydrophobicContact CG-CE2 4.35Å; T503-F506 HydrophobicContact CG2-CD2 4.48Å; T503-F506 PolarHBondContact O-N 2.91Å; T503-F506 VanDerWaalsContact O-N 3.13Å; T503-F506 WeakPolarHBondContact OG1-CD2 3.06Å; Q504-F506 VanDerWaalsContact C-N 3.34Å; F506-Q508 VanDerWaalsContact C-N 3.32Å; F506-Q508 PolarHBondContact O-N 2.74Å; F506-L509 PolarHBondContact O-N 3.2Å; F506-Q510 PolarHBondContact O-N 3.12Å
507	Q	79.4	Confident	71	Confident	105 Å²	105	61 Å²	61	49%	0.491	34%	0.344	S	S	.	.	H	α-helix	trans	-62	-38	170.4	-69	175.1	-13	0	0	112.4	A502 T503 Q504 Q510 A511	A502-Q507 HydrophobicContact CB-CG 4.38Å; T503-Q507 WeakPolarHBondContact O-CG 3.31Å; T503-Q507 PolarHBondContact O-N 2.85Å; Q504-Q507 PolarHBondContact O-N 3.35Å; Q507-Q510 PolarHBondContact O-N 2.88Å; Q507-A511 WeakPolarHBondContact O-CB 3.18Å; Q507-A511 PolarHBondContact O-N 3.1Å
508	Q	83.9	Confident	72.9	Confident	80 Å²	80	64.6 Å²	64.6	37%	0.374	35%	0.354	S	S	.	.	H	α-helix	trans	-63.4	-43.5	175.8	-75.3	174.1	10.4	0	0	111.9	Q324 Q504 Q505 F506 A511 A512	Q324-Q508 VanDerWaalsContact CD-OE1 3.26Å; Q504-Q508 WeakPolarHBondContact O-CG 3.49Å; Q504-Q508 PolarHBondContact O-N 3.06Å; Q505-Q508 WeakPolarHBondContact O-CB 3.48Å; Q505-Q508 PolarHBondContact O-N 2.93Å; F506-Q508 VanDerWaalsContact C-N 3.32Å; F506-Q508 PolarHBondContact O-N 2.74Å; Q508-A511 PolarHBondContact O-N 2.65Å; Q508-A512 PolarHBondContact O-N 3.19Å
509	L	86.1	Confident	74.9	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-61	-46.9	174.4	177.7	54.6	0	0	0	111.2	L318 A322 A325 W447 P448 L477 Q505 F506 A511 A512 M513	L318-L509 HydrophobicContact CD1-CD1 4.33Å; A322-L509 HydrophobicContact CB-CD1 4.48Å; A325-L509 HydrophobicContact CB-CD2 3.89Å; W447-L509 HydrophobicContact CZ3-CD2 4.21Å; P448-L509 HydrophobicContact CG-CD1 4.09Å; L477-L509 HydrophobicContact CD2-CD2 4.16Å; Q505-L509 PolarHBondContact O-N 3.15Å; Q505-L509 VanDerWaalsContact O-N 3.17Å; F506-L509 PolarHBondContact O-N 3.2Å; L509-A511 PolarHBondContact O-N 3.43Å; L509-A512 PolarHBondContact O-N 2.63Å; L509-M513 HydrophobicContact CD1-CG 4.19Å; L509-M513 HydrophobicContact CD1-SD 4.29Å; L509-M513 HydrophobicContact CG-SD 4.03Å; L509-M513 VanDerWaalsContact O-CG 3.25Å; L509-M513 WeakPolarHBondContact O-CG 3.46Å; L509-M513 PolarHBondContact O-N 3.44Å
510	Q	82.3	Confident	76.7	Confident	65 Å²	65	59.8 Å²	59.8	30%	0.304	31%	0.314	S	S	.	.	H	α-helix	trans	-61.4	-42	179.8	-172	-177.4	-9.3	0	0	112.5	F506 Q507 M513 H514	F506-Q510 PolarHBondContact O-N 3.12Å; Q507-Q510 PolarHBondContact O-N 2.88Å; Q510-M513 PolarHBondContact O-N 3.24Å; Q510-H514 PolarHBondContact O-N 2.83Å
511	A	83.2	Confident	77.9	Confident	54 Å²	54	60 Å²	60	45%	0.446	31%	0.314	S	S	.	.	H	α-helix	trans	-61.9	-46	175.6	0	0	0	0	0	111.5	Q507 Q508 L509 M513 H514 D515	Q507-A511 WeakPolarHBondContact O-CB 3.18Å; Q507-A511 PolarHBondContact O-N 3.1Å; Q508-A511 PolarHBondContact O-N 2.65Å; L509-A511 PolarHBondContact O-N 3.43Å; A511-M513 VanDerWaalsContact C-N 3.31Å; A511-M513 PolarHBondContact O-N 3.36Å; A511-H514 PolarHBondContact O-N 3.13Å; A511-D515 PolarHBondContact O-N 3.5Å; A511-D515 VanDerWaalsContact O-N 3.08Å
512	A	87.2	Confident	79.2	Confident	8 Å²	8	59 Å²	59	7%	0.066	30%	0.299	C	S	.	.	H	α-helix	trans	-62.9	-36.3	177.7	0	0	0	0	0	112.7	N317 L318 Q508 L509 D516	N317-A512 HydrophobicContact CB-CB 4.24Å; L318-A512 HydrophobicContact CD1-CB 4.37Å; Q508-A512 PolarHBondContact O-N 3.19Å; L509-A512 PolarHBondContact O-N 2.63Å; A512-D516 WeakPolarHBondContact O-CB 3.1Å; A512-D516 PolarHBondContact O-N 3.29Å; A512-D516 VanDerWaalsContact O-N 3.13Å
513	M	85.1	Confident	80	Confident	16 Å²	16	58.1 Å²	58.1	8%	0.079	29%	0.29	C	S	.	.	H	α-helix	trans	-66.3	-41.9	173.9	-67.5	164.8	55.8	0	0	112.2	L318 Y348 L446 P448 L509 Q510 A511 D515 D516 L517	L318-M513 HydrophobicContact CD1-CB 4.36Å; L318-M513 HydrophobicContact CD1-CG 3.66Å; Y348-M513 HydrophobicContact CD1-CE 4.26Å; Y348-M513 HydrophobicContact CE1-CB 4Å; Y348-M513 HydrophobicContact CE1-CE 4.07Å; Y348-M513 HydrophobicContact CE1-CG 3.98Å; Y348-M513 PolarHBondContact OH-O 2.76Å; L446-M513 HydrophobicContact CB-CE 3.6Å; L446-M513 WeakPolarHBondContact O-CE 3.44Å; P448-M513 HydrophobicContact CB-CG 4.47Å; P448-M513 HydrophobicContact CG-CG 4.11Å; P448-M513 HydrophobicContact CG-SD 4.3Å; L509-M513 HydrophobicContact CD1-CG 4.19Å; L509-M513 HydrophobicContact CD1-SD 4.29Å; L509-M513 HydrophobicContact CG-SD 4.03Å; L509-M513 VanDerWaalsContact O-CG 3.25Å; L509-M513 WeakPolarHBondContact O-CG 3.46Å; L509-M513 PolarHBondContact O-N 3.44Å; Q510-M513 PolarHBondContact O-N 3.24Å; A511-M513 VanDerWaalsContact C-N 3.31Å; A511-M513 PolarHBondContact O-N 3.36Å; M513-D515 VanDerWaalsContact C-N 3.35Å; M513-D516 PolarHBondContact O-N 3.22Å; M513-L517 WeakPolarHBondContact O-CB 3.42Å; M513-L517 VanDerWaalsContact O-CG 3.3Å; M513-L517 WeakPolarHBondContact O-CG 3.49Å; M513-L517 PolarHBondContact O-N 3.39Å
514	H	81.6	Confident	80.2	Confident	127 Å²	127	59.2 Å²	59.2	59%	0.588	29%	0.294	S	S	*	.	H	α-helix	trans	-62.2	-44.2	178.9	-174.1	73.5	0	0	0	111.4	Q510 A511 D516 L517 K518	Q510-H514 PolarHBondContact O-N 2.83Å; A511-H514 PolarHBondContact O-N 3.13Å; H514-D516 VanDerWaalsContact C-N 3.34Å; H514-D516 PolarHBondContact O-N 3.49Å; H514-L517 PolarHBondContact O-N 3.47Å; H514-K518 WeakPolarHBondContact O-CB 3.28Å; H514-K518 PolarHBondContact O-N 3.06Å
515	D	83.4	Confident	79.9	Confident	94 Å²	94	53.9 Å²	53.9	50%	0.503	27%	0.27	S	S	.	.	H	α-helix	trans	-61.9	-40.2	176.1	-73	-16.7	0	0	0	112.4	A511 M513 E519	A511-D515 PolarHBondContact O-N 3.5Å; A511-D515 VanDerWaalsContact O-N 3.08Å; M513-D515 VanDerWaalsContact C-N 3.35Å; D515-E519 PolarHBondContact O-N 2.79Å
516	D	85.2	Confident	79.3	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-72	-42.6	178	-173.2	66.8	0	0	0	112.5	R314 L315 Y348 A512 M513 H514 K518 E519 V520 R543	R314-D516 HydrophobicContact CG-CB 4.22Å; R314-D516 IonicContact CZ-OD1 2.83Å; R314-D516 IonicContact NE-OD1 3.62Å; R314-D516 PolarHBondContact NE-OD1 3.23Å; R314-D516 IonicContact NH2-OD1 3.92Å; L315-D516 WeakPolarHBondContact CD2-OD1 3.39Å; Y348-D516 VanDerWaalsContact OH-CB 3.3Å; Y348-D516 WeakPolarHBondContact OH-CB 3.46Å; Y348-D516 PolarHBondContact OH-OD2 3.46Å; A512-D516 WeakPolarHBondContact O-CB 3.1Å; A512-D516 PolarHBondContact O-N 3.29Å; A512-D516 VanDerWaalsContact O-N 3.13Å; M513-D516 PolarHBondContact O-N 3.22Å; H514-D516 VanDerWaalsContact C-N 3.34Å; H514-D516 PolarHBondContact O-N 3.49Å; D516-K518 VanDerWaalsContact C-N 3.34Å; D516-K518 PolarHBondContact O-N 3.08Å; D516-E519 PolarHBondContact O-N 3.13Å; D516-V520 WeakPolarHBondContact O-CG2 3.43Å; D516-V520 PolarHBondContact O-N 3.25Å; D516-R543 IonicContact OD1-NH1 3.98Å; D516-R543 PolarHBondContact OD1-NH1 3.35Å; D516-R543 IonicContact OD2-CZ 3.97Å; D516-R543 IonicContact OD2-NH1 2.74Å; D516-R543 PolarHBondContact OD2-NH1 3.03Å
517	L	81	Confident	78.8	Confident	26 Å²	26	57.4 Å²	57.4	14%	0.136	29%	0.291	C	S	.	.	H	α-helix	trans	-59	-44.1	174.8	-77.4	167.3	0	0	0	111.9	Y348 L375 L446 M513 H514 E519 V520 E521	Y348-L517 HydrophobicContact CD1-CD2 4.32Å; Y348-L517 HydrophobicContact CD2-CD2 3.52Å; Y348-L517 HydrophobicContact CD2-CG 4.29Å; Y348-L517 HydrophobicContact CE1-CD1 4.34Å; Y348-L517 HydrophobicContact CE1-CD2 4.27Å; Y348-L517 HydrophobicContact CE1-CG 4.09Å; Y348-L517 HydrophobicContact CE2-CD2 3.5Å; Y348-L517 VanDerWaalsContact CE2-CD2 3.5Å; Y348-L517 HydrophobicContact CE2-CG 3.84Å; Y348-L517 HydrophobicContact CG-CD2 3.98Å; L375-L517 HydrophobicContact CD1-CD2 3.97Å; L446-L517 HydrophobicContact CD1-CD1 3.68Å; M513-L517 WeakPolarHBondContact O-CB 3.42Å; M513-L517 VanDerWaalsContact O-CG 3.3Å; M513-L517 WeakPolarHBondContact O-CG 3.49Å; M513-L517 PolarHBondContact O-N 3.39Å; H514-L517 PolarHBondContact O-N 3.47Å; L517-E519 VanDerWaalsContact C-N 3.26Å; L517-E519 PolarHBondContact O-N 3.23Å; L517-V520 PolarHBondContact O-N 2.73Å; L517-E521 WeakPolarHBondContact O-CB 2.93Å; L517-E521 PolarHBondContact O-N 3.31Å
518	K	80.4	Confident	78.1	Confident	140 Å²	140	57.2 Å²	57.2	61%	0.609	29%	0.29	S	S	*	.	H	α-helix	trans	-57.1	-41.1	177.5	-176.9	177.6	-179.3	177.6	0	111.8	H514 D516 K522	H514-K518 WeakPolarHBondContact O-CB 3.28Å; H514-K518 PolarHBondContact O-N 3.06Å; D516-K518 VanDerWaalsContact C-N 3.34Å; D516-K518 PolarHBondContact O-N 3.08Å; K518-K522 PolarHBondContact O-N 3.28Å
519	E	79.1	Confident	77.2	Confident	55 Å²	55	60.4 Å²	60.4	26%	0.257	30%	0.303	S	S	.	.	H	α-helix	trans	-81.5	-28.6	-178.7	-164.1	55.3	-178.3	0	0	113.4	D515 D516 L517 K522 S523	D515-E519 PolarHBondContact O-N 2.79Å; D516-E519 PolarHBondContact O-N 3.13Å; L517-E519 VanDerWaalsContact C-N 3.26Å; L517-E519 PolarHBondContact O-N 3.23Å; E519-K522 IonicContact OE1-NZ 2.68Å; E519-K522 WeakPolarHBondContact OE2-CD 3.4Å; E519-K522 IonicContact OE2-NZ 3.47Å; E519-S523 WeakPolarHBondContact O-CB 3.33Å; E519-S523 PolarHBondContact O-N 2.91Å
520	V	78	Confident	75.8	Confident	22 Å²	22	64.1 Å²	64.1	13%	0.133	33%	0.329	C	S	.	.	H	α-helix	trans	-62	-45.8	167.4	172.2	0	0	0	0	110.4	Y347 L375 D516 L517 S523 I524	Y347-V520 HydrophobicContact CD2-CG1 4.34Å; Y347-V520 HydrophobicContact CD2-CG2 4.31Å; L375-V520 HydrophobicContact CD2-CG1 3.98Å; D516-V520 WeakPolarHBondContact O-CG2 3.43Å; D516-V520 PolarHBondContact O-N 3.25Å; L517-V520 PolarHBondContact O-N 2.73Å; V520-S523 PolarHBondContact O-N 3.39Å; V520-I524 HydrophobicContact CG1-CD1 3.95Å; V520-I524 WeakPolarHBondContact O-CG1 2.95Å; V520-I524 PolarHBondContact O-N 2.03Å
521	E	76.5	Confident	74.5	Confident	45 Å²	45	65.6 Å²	65.6	21%	0.21	34%	0.338	C	S	.	.	H	α-helix	trans	-62.1	-44.3	177.7	-171.3	-176.1	166.4	0	0	112.1	Q372 L375 L517 S523 I524 T525	Q372-E521 PolarHBondContact N-OE1 3.07Å; L375-E521 HydrophobicContact CD1-CB 4.34Å; L375-E521 HydrophobicContact CG-CB 4.47Å; L517-E521 WeakPolarHBondContact O-CB 2.93Å; L517-E521 PolarHBondContact O-N 3.31Å; E521-S523 VanDerWaalsContact C-N 3.35Å; E521-S523 PolarHBondContact O-N 3.29Å; E521-I524 PolarHBondContact O-N 3.19Å; E521-T525 PolarHBondContact O-N 2.82Å; E521-T525 PolarHBondContact O-OG1 2.94Å
522	K	75.6	Confident	73.2	Confident	109 Å²	109	68.9 Å²	68.9	47%	0.474	35%	0.353	S	S	.	.	H	α-helix	trans	-60.9	-43.3	175	-171.2	-165.9	-178.8	-172.8	0	111.7	K518 E519 I524 T525 N526	K518-K522 PolarHBondContact O-N 3.28Å; E519-K522 IonicContact OE1-NZ 2.68Å; E519-K522 WeakPolarHBondContact OE2-CD 3.4Å; E519-K522 IonicContact OE2-NZ 3.47Å; K522-I524 VanDerWaalsContact C-N 3.34Å; K522-I524 PolarHBondContact O-N 3.35Å; K522-T525 PolarHBondContact O-N 2.82Å; K522-N526 WeakPolarHBondContact O-CB 3.41Å; K522-N526 VanDerWaalsContact O-CG 3.31Å; K522-N526 PolarHBondContact O-N 2.8Å
523	S	71	Confident	71.1	Confident	35 Å²	35	72.7 Å²	72.7	25%	0.245	38%	0.379	C	S	.	.	H	α-helix	trans	-62.1	-41.1	177	-175.4	0	0	0	0	111.9	E519 V520 E521 N526 L527	E519-S523 WeakPolarHBondContact O-CB 3.33Å; E519-S523 PolarHBondContact O-N 2.91Å; V520-S523 PolarHBondContact O-N 3.39Å; E521-S523 VanDerWaalsContact C-N 3.35Å; E521-S523 PolarHBondContact O-N 3.29Å; S523-N526 PolarHBondContact O-N 3.46Å; S523-L527 VanDerWaalsContact O-CB 3.28Å; S523-L527 WeakPolarHBondContact O-CB 3.1Å; S523-L527 PolarHBondContact O-N 2.68Å
524	I	71.2	Confident	69.1	Low	61 Å²	61	79.5 Å²	79.5	31%	0.313	42%	0.415	S	S	.	.	H	α-helix	trans	-64.4	-43.9	177.1	-70	165	0	0	0	110.4	L375 V520 E521 K522 N526 L527 E528	L375-I524 HydrophobicContact CD2-CD1 3.52Å; V520-I524 HydrophobicContact CG1-CD1 3.95Å; V520-I524 WeakPolarHBondContact O-CG1 2.95Å; V520-I524 PolarHBondContact O-N 2.03Å; E521-I524 PolarHBondContact O-N 3.19Å; K522-I524 VanDerWaalsContact C-N 3.34Å; K522-I524 PolarHBondContact O-N 3.35Å; I524-N526 PolarHBondContact O-N 2.91Å; I524-L527 WeakPolarHBondContact O-CB 3.28Å; I524-L527 PolarHBondContact O-N 2.81Å; I524-E528 PolarHBondContact O-N 2.55Å
525	T	69.4	Low	67.1	Low	20 Å²	20	77.7 Å²	77.7	12%	0.123	42%	0.417	C	S	.	.	H	α-helix	trans	-64.2	-40.3	178.9	-58.9	0	0	0	0	112.3	E521 K522 L527 K529	E521-T525 PolarHBondContact O-N 2.82Å; E521-T525 PolarHBondContact O-OG1 2.94Å; K522-T525 PolarHBondContact O-N 2.82Å; T525-L527 VanDerWaalsContact C-N 3.34Å; T525-K529 WeakPolarHBondContact O-CG 3.25Å; T525-K529 PolarHBondContact O-N 3.44Å
526	N	69.7	Low	65.2	Low	87 Å²	87	81.9 Å²	81.9	47%	0.465	43%	0.433	S	S	.	.	H	α-helix	trans	-66.7	-38.7	175.2	-72.3	-12.3	0	0	0	111.7	K522 S523 I524 K529 S530	K522-N526 WeakPolarHBondContact O-CB 3.41Å; K522-N526 VanDerWaalsContact O-CG 3.31Å; K522-N526 PolarHBondContact O-N 2.8Å; S523-N526 PolarHBondContact O-N 3.46Å; I524-N526 PolarHBondContact O-N 2.91Å; N526-K529 PolarHBondContact O-N 2.86Å; N526-S530 WeakPolarHBondContact O-CB 3.31Å; N526-S530 PolarHBondContact O-N 2.9Å
527	L	64.5	Low	63.6	Low	55 Å²	55	88.2 Å²	88.2	29%	0.288	47%	0.471	S	S	.	.	H	α-helix	trans	-65.1	-43.5	178.2	-173.7	61.9	0	0	0	111.8	S523 I524 T525 K529 S530 L531 V538 L539	S523-L527 VanDerWaalsContact O-CB 3.28Å; S523-L527 WeakPolarHBondContact O-CB 3.1Å; S523-L527 PolarHBondContact O-N 2.68Å; I524-L527 WeakPolarHBondContact O-CB 3.28Å; I524-L527 PolarHBondContact O-N 2.81Å; T525-L527 VanDerWaalsContact C-N 3.34Å; L527-K529 VanDerWaalsContact C-N 3.33Å; L527-K529 PolarHBondContact O-N 3.35Å; L527-S530 PolarHBondContact O-N 3.12Å; L527-S530 VanDerWaalsContact O-N 3.14Å; L527-L531 HydrophobicContact CG-CD1 4.43Å; L527-L531 WeakPolarHBondContact O-CG 3.49Å; L527-L531 PolarHBondContact O-N 2.88Å; L527-V538 WeakPolarHBondContact CD1-O 3.25Å; L527-L539 HydrophobicContact CD1-CD2 3.97Å; L527-L539 HydrophobicContact CD1-CG 4.48Å; L527-L539 HydrophobicContact CD2-CD2 3.52Å; L527-L539 HydrophobicContact CG-CD2 3.83Å
528	E	64.9	Low	62	Low	102 Å²	102	93.1 Å²	93.1	48%	0.477	50%	0.502	S	S	.	.	H	α-helix	trans	-57.3	-44.9	174	-175.2	-173.4	169.9	0	0	111.8	K374 I524 S530 L531	K374-E528 WeakPolarHBondContact CE-OE2 2.82Å; K374-E528 IonicContact NZ-OE1 3.91Å; K374-E528 IonicContact NZ-OE2 3Å; K374-E528 PolarHBondContact NZ-OE2 3.35Å; I524-E528 PolarHBondContact O-N 2.55Å; E528-S530 VanDerWaalsContact C-N 3.32Å; E528-S530 PolarHBondContact O-N 3.43Å; E528-L531 PolarHBondContact O-N 2.77Å
529	K	66.4	Low	60.4	Low	147 Å²	147	90.6 Å²	90.6	64%	0.639	50%	0.495	S	S	*	.	H	α-helix	trans	-66.9	-29.9	176.2	-71.6	178	-179.3	178.8	0	113.4	T525 N526 L527 T532	T525-K529 WeakPolarHBondContact O-CG 3.25Å; T525-K529 PolarHBondContact O-N 3.44Å; N526-K529 PolarHBondContact O-N 2.86Å; L527-K529 VanDerWaalsContact C-N 3.33Å; L527-K529 PolarHBondContact O-N 3.35Å; K529-T532 PolarHBondContact O-OG1 3.23Å
530	S	55.5	Low	58.9	Low	79 Å²	79	94.1 Å²	94.1	55%	0.552	51%	0.512	S	S	*	.	H	α-helix	trans	-81.9	-28.7	179.5	-167.3	0	0	0	0	112.6	N526 L527 E528 T532 S533	N526-S530 WeakPolarHBondContact O-CB 3.31Å; N526-S530 PolarHBondContact O-N 2.9Å; L527-S530 PolarHBondContact O-N 3.12Å; L527-S530 VanDerWaalsContact O-N 3.14Å; E528-S530 VanDerWaalsContact C-N 3.32Å; E528-S530 PolarHBondContact O-N 3.43Å; S530-T532 PolarHBondContact O-N 3.18Å; S530-S533 PolarHBondContact O-N 3.44Å; S530-S533 VanDerWaalsContact O-N 3.15Å
531	L	56.1	Low	57.9	Low	96 Å²	96	96.1 Å²	96.1	50%	0.503	52%	0.521	S	S	.	.	H	α-helix	trans	-68.3	-17.7	179.2	-80.4	172.5	0	0	0	114.1	L527 E528 S533 L539	L527-L531 HydrophobicContact CG-CD1 4.43Å; L527-L531 WeakPolarHBondContact O-CG 3.49Å; L527-L531 PolarHBondContact O-N 2.88Å; E528-L531 PolarHBondContact O-N 2.77Å; L531-S533 PolarHBondContact O-N 3.34Å; L531-L539 HydrophobicContact CD1-CD1 4.24Å; L531-L539 HydrophobicContact CD1-CD2 3.77Å; L531-L539 HydrophobicContact CD1-CG 4.3Å; L531-L539 HydrophobicContact CD2-CD1 3.66Å; L531-L539 HydrophobicContact CD2-CD2 4.26Å; L531-L539 HydrophobicContact CD2-CG 3.87Å; L531-L539 HydrophobicContact CG-CD2 4.39Å
532	T	56.4	Low	57.6	Low	123 Å²	123	98.8 Å²	98.8	76%	0.755	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-4.9	173.3	57.3	0	0	0	0	113.1	K529 S530	K529-T532 PolarHBondContact O-OG1 3.23Å; S530-T532 PolarHBondContact O-N 3.18Å
533	S	41.8	Very low	57.6	Low	88 Å²	88	94.2 Å²	94.2	62%	0.615	51%	0.509	S	S	*	.	S	Bend	trans	-132.3	81.9	-178.6	176.2	0	0	0	0	111.9	S530 L531	S530-S533 PolarHBondContact O-N 3.44Å; S530-S533 VanDerWaalsContact O-N 3.15Å; L531-S533 PolarHBondContact O-N 3.34Å
534	L	43.2	Very low	57.9	Low	159 Å²	159	93.5 Å²	93.5	83%	0.832	51%	0.507	S	S	*	.	S	Bend	trans	55.9	119.3	162.9	-100.9	144	0	0	0	120.6
535	S	40.4	Very low	58.2	Low	89 Å²	89	94.1 Å²	94.1	62%	0.622	51%	0.511	S	S	*	.			trans	59.9	91.4	152.9	62.3	0	0	0	0	121.3	V537	S535-V537 PolarHBondContact O-N 2.88Å
536	E	42.2	Very low	58.8	Low	182 Å²	182	93.3 Å²	93.3	85%	0.85	51%	0.506	S	S	*	.	S	Bend		66.8	-4.3	114.3	-140.5	173.1	-173.3	0	0	122.1
537	V	51.4	Low	59.4	Low	132 Å²	132	89.6 Å²	89.6	80%	0.8	49%	0.486	S	S	*	.	S	Bend	trans	-117.2	4	-174	-158.4	0	0	0	0	117.4	S535	S535-V537 PolarHBondContact O-N 2.88Å
538	V	47.4	Very low	60.2	Low	129 Å²	129	90.6 Å²	90.6	78%	0.782	49%	0.491	S	S	*	.	S	Bend	trans	-134	44.9	174.5	-157.9	0	0	0	0	113.6	L527	L527-V538 WeakPolarHBondContact CD1-O 3.25Å
539	L	48.4	Very low	60.9	Low	88 Å²	88	88.9 Å²	88.9	46%	0.461	48%	0.482	S	S	.	.			trans	-91.8	-2.3	176.4	-101.1	174.2	0	0	0	115.6	L527 L531	L527-L539 HydrophobicContact CD1-CD2 3.97Å; L527-L539 HydrophobicContact CD1-CG 4.48Å; L527-L539 HydrophobicContact CD2-CD2 3.52Å; L527-L539 HydrophobicContact CG-CD2 3.83Å; L531-L539 HydrophobicContact CD1-CD1 4.24Å; L531-L539 HydrophobicContact CD1-CD2 3.77Å; L531-L539 HydrophobicContact CD1-CG 4.3Å; L531-L539 HydrophobicContact CD2-CD1 3.66Å; L531-L539 HydrophobicContact CD2-CD2 4.26Å; L531-L539 HydrophobicContact CD2-CG 3.87Å; L531-L539 HydrophobicContact CG-CD2 4.39Å
540	Q	48.1	Very low	61.7	Low	129 Å²	129	82.2 Å²	82.2	60%	0.603	45%	0.454	S	S	*	.	S	Bend	trans	-130.5	104.8	-163.5	-59.6	-165.6	2.5	0	0	112.6
541	N	56.3	Low	63	Low	63 Å²	63	83.5 Å²	83.5	34%	0.337	45%	0.449	S	S	.	.			trans	77.4	67.7	159	-47.9	-38.3	0	0	0	115.1	R543 G544 L545	N541-R543 PolarHBondContact O-N 2.7Å; N541-G544 CarbonylContact O-C 3.57Å; N541-G544 VanDerWaalsContact O-CA 3.32Å; N541-G544 WeakPolarHBondContact O-CA 3.18Å; N541-G544 PolarHBondContact O-N 2.84Å; N541-L545 PolarHBondContact O-N 3.34Å
542	R	69.4	Low	64.3	Low	101 Å²	101	85.4 Å²	85.4	38%	0.381	46%	0.456	S	S	.	.	H	α-helix	trans	-49.2	-41.2	163.6	178.6	60.9	-179.7	-165.2	-3.5	111.5	L545 D546	R542-L545 PolarHBondContact O-N 2.94Å; R542-D546 IonicContact CZ-OD1 3.86Å; R542-D546 IonicContact NE-OD1 2.63Å; R542-D546 PolarHBondContact NE-OD1 3.25Å; R542-D546 PolarHBondContact O-N 3.09Å
543	R	76	Confident	65.4	Low	13 Å²	13	82.2 Å²	82.2	5%	0.049	45%	0.447	C	S	.	.	H	α-helix	trans	-60.8	-44.8	171.6	-172	66.3	162.8	-133.5	-0	111.8	V342 Y347 D516 N541 L545 D546 L547	V342-R543 WeakPolarHBondContact O-CG 3.46Å; Y347-R543 HydrophobicContact CD1-CB 4.14Å; Y347-R543 HydrophobicContact CD1-CG 3.88Å; Y347-R543 HydrophobicContact CE1-CB 3.32Å; Y347-R543 HydrophobicContact CE1-CG 3.48Å; Y347-R543 VanDerWaalsContact CE1-CG 3.48Å; Y347-R543 HydrophobicContact CE2-CB 4.13Å; Y347-R543 VanDerWaalsContact OH-CB 3.28Å; Y347-R543 WeakPolarHBondContact OH-CB 3.27Å; D516-R543 IonicContact OD1-NH1 3.98Å; D516-R543 PolarHBondContact OD1-NH1 3.35Å; D516-R543 IonicContact OD2-CZ 3.97Å; D516-R543 IonicContact OD2-NH1 2.74Å; D516-R543 PolarHBondContact OD2-NH1 3.03Å; N541-R543 PolarHBondContact O-N 2.7Å; R543-L545 VanDerWaalsContact C-N 3.29Å; R543-L545 PolarHBondContact O-N 3.25Å; R543-D546 PolarHBondContact O-N 3.25Å; R543-L547 HydrophobicContact CG-CD1 4.29Å; R543-L547 HydrophobicContact CG-CG 4.33Å; R543-L547 WeakPolarHBondContact O-CB 3.49Å; R543-L547 VanDerWaalsContact O-CG 3.24Å; R543-L547 WeakPolarHBondContact O-CG 3.41Å; R543-L547 PolarHBondContact O-N 3.45Å
544	G	77.4	Confident	67.3	Low	20 Å²	20	79 Å²	79	21%	0.206	43%	0.428	C	S	.	.	H	α-helix	trans	-57.1	-40.3	176	0	0	0	0	0	113.3	S343 N541 L548	S343-G544 PolarHBondContact O-N 3.02Å; S343-G544 VanDerWaalsContact O-N 3.12Å; N541-G544 CarbonylContact O-C 3.57Å; N541-G544 VanDerWaalsContact O-CA 3.32Å; N541-G544 WeakPolarHBondContact O-CA 3.18Å; N541-G544 PolarHBondContact O-N 2.84Å; G544-L548 PolarHBondContact O-N 3.4Å
545	L	77.8	Confident	69.3	Low	75 Å²	75	72.3 Å²	72.3	39%	0.393	39%	0.393	S	S	.	.	H	α-helix	trans	-68.4	-45.6	174.1	-174	68.1	0	0	0	112	N541 R542 R543 L547 L548 F549	N541-L545 PolarHBondContact O-N 3.34Å; R542-L545 PolarHBondContact O-N 2.94Å; R543-L545 VanDerWaalsContact C-N 3.29Å; R543-L545 PolarHBondContact O-N 3.25Å; L545-L547 VanDerWaalsContact C-N 3.26Å; L545-L547 PolarHBondContact O-N 3.15Å; L545-L548 HydrophobicContact CD1-CD2 4.33Å; L545-L548 WeakPolarHBondContact O-CB 3.19Å; L545-L548 PolarHBondContact O-N 3.38Å; L545-L548 VanDerWaalsContact O-N 3.07Å; L545-F549 HydrophobicContact CD1-CE2 3.94Å; L545-F549 HydrophobicContact CD1-CZ 4.22Å; L545-F549 HydrophobicContact CD2-CE2 4Å; L545-F549 HydrophobicContact CG-CD2 4.13Å; L545-F549 HydrophobicContact CG-CE2 3.59Å; L545-F549 HydrophobicContact CG-CZ 4.32Å; L545-F549 VanDerWaalsContact O-CD2 3.24Å; L545-F549 WeakPolarHBondContact O-CD2 3.45Å; L545-F549 PolarHBondContact O-N 3.06Å; L545-F549 VanDerWaalsContact O-N 3.08Å
546	D	80.7	Confident	71.6	Confident	3 Å²	3	68.1 Å²	68.1	2%	0.016	36%	0.363	C	S	.	.	H	α-helix	trans	-56.5	-41.8	175.1	-70.2	-10.6	0	0	0	111	V311 R314 L315 R542 R543 F549 L550	V311-D546 HydrophobicContact CG1-CB 3.61Å; R314-D546 IonicContact CZ-OD2 3.98Å; R314-D546 IonicContact NH2-OD2 3.71Å; R314-D546 PolarHBondContact NH2-OD2 2.79Å; L315-D546 HydrophobicContact CD1-CB 3.9Å; R542-D546 IonicContact CZ-OD1 3.86Å; R542-D546 IonicContact NE-OD1 2.63Å; R542-D546 PolarHBondContact NE-OD1 3.25Å; R542-D546 PolarHBondContact O-N 3.09Å; R543-D546 PolarHBondContact O-N 3.25Å; D546-F549 PolarHBondContact O-N 2.93Å; D546-L550 WeakPolarHBondContact O-CG 3.49Å; D546-L550 PolarHBondContact O-N 3.06Å
547	L	82.9	Confident	73.8	Confident	8 Å²	8	59.4 Å²	59.4	4%	0.042	32%	0.323	C	S	.	.	H	α-helix	trans	-70.6	-31.2	176.3	-64.2	-176.6	0	0	0	113	L315 L341 R543 L545 L550 K551 C563	L315-L547 HydrophobicContact CD1-CD2 3.78Å; L341-L547 HydrophobicContact CB-CD1 4.22Å; L341-L547 HydrophobicContact CB-CD2 3.94Å; L341-L547 HydrophobicContact CD1-CD2 3.96Å; R543-L547 HydrophobicContact CG-CD1 4.29Å; R543-L547 HydrophobicContact CG-CG 4.33Å; R543-L547 WeakPolarHBondContact O-CB 3.49Å; R543-L547 VanDerWaalsContact O-CG 3.24Å; R543-L547 WeakPolarHBondContact O-CG 3.41Å; R543-L547 PolarHBondContact O-N 3.45Å; L545-L547 VanDerWaalsContact C-N 3.26Å; L545-L547 PolarHBondContact O-N 3.15Å; L547-L550 HydrophobicContact CD2-CD1 4.13Å; L547-L550 PolarHBondContact O-N 3Å; L547-K551 PolarHBondContact O-N 2.83Å; L547-C563 HydrophobicContact CB-CB 3.87Å; L547-C563 HydrophobicContact CD1-CB 3.86Å; L547-C563 HydrophobicContact CD2-CB 3.76Å; L547-C563 HydrophobicContact CG-CB 4Å
548	L	80.9	Confident	75.3	Confident	76 Å²	76	54.9 Å²	54.9	40%	0.398	30%	0.299	S	S	.	.	H	α-helix	trans	-63.2	-44.9	174	-171.8	77.6	0	0	0	110.5	G544 L545 L550 K551 E552	G544-L548 PolarHBondContact O-N 3.4Å; L545-L548 HydrophobicContact CD1-CD2 4.33Å; L545-L548 WeakPolarHBondContact O-CB 3.19Å; L545-L548 PolarHBondContact O-N 3.38Å; L545-L548 VanDerWaalsContact O-N 3.07Å; L548-L550 VanDerWaalsContact C-N 3.34Å; L548-L550 PolarHBondContact O-N 3.19Å; L548-K551 WeakPolarHBondContact O-CB 3.42Å; L548-K551 PolarHBondContact O-N 3.26Å; L548-E552 PolarHBondContact O-N 2.91Å
549	F	81	Confident	76.9	Confident	67 Å²	67	48.8 Å²	48.8	29%	0.294	26%	0.262	S	S	.	.	H	α-helix	trans	-62.3	-40	176.1	-70.8	-57.7	0	0	0	112.3	P307 L545 D546 K551 E552 G553	P307-F549 HydrophobicContact CB-CD2 4.1Å; P307-F549 HydrophobicContact CB-CE2 4.15Å; P307-F549 HydrophobicContact CG-CD1 4.4Å; P307-F549 HydrophobicContact CG-CD2 3.98Å; P307-F549 HydrophobicContact CG-CE2 4.13Å; P307-F549 HydrophobicContact CG-CG 4.11Å; P307-F549 HydrophobicContact CG-CZ 4.43Å; L545-F549 HydrophobicContact CD1-CE2 3.94Å; L545-F549 HydrophobicContact CD1-CZ 4.22Å; L545-F549 HydrophobicContact CD2-CE2 4Å; L545-F549 HydrophobicContact CG-CD2 4.13Å; L545-F549 HydrophobicContact CG-CE2 3.59Å; L545-F549 HydrophobicContact CG-CZ 4.32Å; L545-F549 VanDerWaalsContact O-CD2 3.24Å; L545-F549 WeakPolarHBondContact O-CD2 3.45Å; L545-F549 PolarHBondContact O-N 3.06Å; L545-F549 VanDerWaalsContact O-N 3.08Å; D546-F549 PolarHBondContact O-N 2.93Å; F549-K551 VanDerWaalsContact C-N 3.31Å; F549-K551 PolarHBondContact O-N 2.9Å; F549-E552 PolarHBondContact O-N 3.29Å; F549-G553 PolarHBondContact O-N 3.38Å
550	L	83.1	Confident	78.3	Confident	7 Å²	7	50.5 Å²	50.5	4%	0.037	27%	0.266	C	S	.	.	H	α-helix	trans	-62.7	-38.2	175	-70	178.6	0	0	0	112.7	E312 L315 D546 L547 L548 G554 L555 F565	E312-L550 HydrophobicContact CB-CD2 4.19Å; E312-L550 HydrophobicContact CG-CD2 3.78Å; L315-L550 HydrophobicContact CB-CD1 4.07Å; L315-L550 HydrophobicContact CD1-CD1 3.93Å; D546-L550 WeakPolarHBondContact O-CG 3.49Å; D546-L550 PolarHBondContact O-N 3.06Å; L547-L550 HydrophobicContact CD2-CD1 4.13Å; L547-L550 PolarHBondContact O-N 3Å; L548-L550 VanDerWaalsContact C-N 3.34Å; L548-L550 PolarHBondContact O-N 3.19Å; L550-G554 PolarHBondContact O-N 3.34Å; L550-L555 HydrophobicContact CD2-CB 4.31Å; L550-L555 HydrophobicContact CD2-CD1 3.65Å; L550-L555 WeakPolarHBondContact O-CB 3.31Å; L550-L555 PolarHBondContact O-N 3.32Å; L550-F565 HydrophobicContact CD1-CE1 4.48Å; L550-F565 HydrophobicContact CD1-CZ 3.9Å
551	K	82.3	Confident	79.6	Confident	105 Å²	105	50 Å²	50	46%	0.457	26%	0.264	S	S	.	.	H	α-helix	trans	-65.3	-45.9	174.6	-179.9	-157.8	177.7	-176.7	0	111.2	L547 L548 F549 G553 G554 A558	L547-K551 PolarHBondContact O-N 2.83Å; L548-K551 WeakPolarHBondContact O-CB 3.42Å; L548-K551 PolarHBondContact O-N 3.26Å; F549-K551 VanDerWaalsContact C-N 3.31Å; F549-K551 PolarHBondContact O-N 2.9Å; K551-G553 VanDerWaalsContact C-N 3.32Å; K551-G554 PolarHBondContact O-N 2.02Å; K551-A558 HydrophobicContact CD-CB 3.73Å; K551-A558 HydrophobicContact CG-CB 4.08Å
552	E	82.6	Confident	81	Confident	137 Å²	137	48.7 Å²	48.7	64%	0.64	26%	0.255	S	S	*	.	H	α-helix	trans	-64.7	-36.9	178.7	-73	-179	176.4	0	0	112	L548 F549 G554	L548-E552 PolarHBondContact O-N 2.91Å; F549-E552 PolarHBondContact O-N 3.29Å; E552-G554 PolarHBondContact O-N 2.98Å
553	G	80.8	Confident	81.9	Confident	55 Å²	55	44 Å²	44	57%	0.567	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-2.5	171	0	0	0	0	0	114.8	F549 K551 L555	F549-G553 PolarHBondContact O-N 3.38Å; K551-G553 VanDerWaalsContact C-N 3.32Å; G553-L555 VanDerWaalsContact C-N 3.27Å; G553-L555 PolarHBondContact O-N 3.02Å
554	G	81.7	Confident	82.6	Confident	22 Å²	22	43.4 Å²	43.4	23%	0.227	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	6.6	179.1	0	0	0	0	0	115.4	L550 K551 E552	L550-G554 PolarHBondContact O-N 3.34Å; K551-G554 PolarHBondContact O-N 2.02Å; E552-G554 PolarHBondContact O-N 2.98Å
555	L	85	Confident	83.2	Confident	18 Å²	18	42.5 Å²	42.5	9%	0.094	23%	0.226	C	C	.	.	S	Bend	trans	-80.4	-20.7	-171.7	-65.7	166.6	0	0	0	114	E312 L550 G553 F565 R574	E312-L555 HydrophobicContact CG-CD1 3.52Å; E312-L555 VanDerWaalsContact OE1-CD1 3.23Å; E312-L555 WeakPolarHBondContact OE1-CD1 3.41Å; L550-L555 HydrophobicContact CD2-CB 4.31Å; L550-L555 HydrophobicContact CD2-CD1 3.65Å; L550-L555 WeakPolarHBondContact O-CB 3.31Å; L550-L555 PolarHBondContact O-N 3.32Å; G553-L555 VanDerWaalsContact C-N 3.27Å; G553-L555 PolarHBondContact O-N 3.02Å; L555-F565 WeakPolarHBondContact O-CD1 3.19Å; L555-R574 CarbonylContact C-O 3.53Å; L555-R574 VanDerWaalsContact CA-O 3.26Å; L555-R574 WeakPolarHBondContact CA-O 3.4Å; L555-R574 HydrophobicContact CD2-CB 4.05Å; L555-R574 VanDerWaalsContact O-O 3.11Å
556	C	88.4	Confident	83.8	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	-141.1	157.6	175.5	80.1	0	0	0	0	112.8	C563 C564 F565 M577	C556-C563 HydrophobicContact CB-CB 4.21Å; C556-C563 WeakPolarHBondContact CB-SG 3.13Å; C556-C563 WeakPolarHBondContact SG-CB 3.43Å; C556-C563 CovalentContact SG-SG 2.02Å; C556-C563 PolarHBondContact SG-SG 2.91Å; C556-C564 CarbonylContact C-O 3.56Å; C556-C564 WeakPolarHBondContact CA-O 3.37Å; C556-C564 WeakPolarHBondContact CB-O 3.33Å; C556-F565 HydrophobicContact CB-CD1 4.1Å; C556-F565 HydrophobicContact CB-CD2 4.44Å; C556-F565 HydrophobicContact CB-CE1 3.85Å; C556-F565 HydrophobicContact CB-CE2 4.18Å; C556-F565 HydrophobicContact CB-CG 4.39Å; C556-F565 HydrophobicContact CB-CZ 3.9Å; C556-M577 WeakPolarHBondContact O-CG 3.17Å
557	A	87.6	Confident	84.3	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	125	171.3	0	0	0	0	0	110.5	W338 F462 L559 C564 M577 L580	W338-A557 HydrophobicContact CE3-CB 4.49Å; W338-A557 HydrophobicContact CH2-CB 3.94Å; W338-A557 HydrophobicContact CZ3-CB 3.58Å; F462-A557 HydrophobicContact CE2-CB 4.4Å; F462-A557 HydrophobicContact CZ-CB 4.24Å; A557-L559 PolarHBondContact O-N 3.16Å; A557-C564 PolarHBondContact N-O 3.05Å; A557-C564 WeakPolarHBondContact O-CB 3.5Å; A557-C564 PolarHBondContact O-N 2.8Å; A557-M577 HydrophobicContact CB-SD 3.78Å; A557-L580 HydrophobicContact CB-CD2 3.79Å
558	A	84.4	Confident	84.5	Confident	36 Å²	36	39.8 Å²	39.8	30%	0.298	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	112.2	176.6	0	0	0	0	0	111	F462 K551 E562	F462-A558 VanDerWaalsContact CZ-O 3.23Å; F462-A558 WeakPolarHBondContact CZ-O 3.34Å; K551-A558 HydrophobicContact CD-CB 3.73Å; K551-A558 HydrophobicContact CG-CB 4.08Å; A558-E562 WeakPolarHBondContact CA-O 3.46Å
559	L	79.4	Confident	84.6	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	106	179.8	-169.6	73.9	0	0	0	109.2	Y457 V458 Q461 F462 A557 E561 E562 C564	Y457-L559 HydrophobicContact CD1-CD2 4.44Å; Y457-L559 HydrophobicContact CE1-CD2 3.77Å; V458-L559 HydrophobicContact CG2-CD2 4.15Å; Q461-L559 HydrophobicContact CB-CD1 3.82Å; Q461-L559 HydrophobicContact CG-CD1 3.57Å; F462-L559 HydrophobicContact CE2-CD1 3.83Å; F462-L559 HydrophobicContact CZ-CD1 4.38Å; A557-L559 PolarHBondContact O-N 3.16Å; L559-E561 PolarHBondContact O-N 2.9Å; L559-E561 VanDerWaalsContact O-N 3.14Å; L559-E562 PolarHBondContact N-O 2.86Å; L559-E562 WeakPolarHBondContact O-CA 3.36Å; L559-E562 WeakPolarHBondContact O-CB 3.38Å; L559-E562 PolarHBondContact O-N 2.93Å; L559-C564 WeakPolarHBondContact CB-SG 3.26Å
560	K	77.9	Confident	84.7	Confident	124 Å²	124	44.2 Å²	44.2	54%	0.539	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	-116.7	-171	-62	-179.2	172.6	-176.6	0	110.8	E471	E471-K560 IonicContact OE1-NZ 3.93Å; E471-K560 PolarHBondContact OE1-NZ 3.18Å
561	E	75.8	Confident	84.8	Confident	119 Å²	119	44.4 Å²	44.4	56%	0.556	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.4	19	177.8	-63.4	-172.6	173.3	0	0	112.5	S343 L559	S343-E561 WeakPolarHBondContact CB-O 3.21Å; S343-E561 PolarHBondContact N-O 3.31Å; S343-E561 PolarHBondContact OG-O 3.5Å; L559-E561 PolarHBondContact O-N 2.9Å; L559-E561 VanDerWaalsContact O-N 3.14Å
562	E	85.6	Confident	85	Confident	34 Å²	34	41 Å²	41	16%	0.159	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	152.9	179.9	-50.2	-178.4	136.4	0	0	111.5	C340 L341 V342 T451 H453 A558 L559	C340-E562 HydrophobicContact CB-CB 3.86Å; L341-E562 CarbonylContact O-C 3.54Å; L341-E562 WeakPolarHBondContact O-CA 3.46Å; V342-E562 HydrophobicContact CG1-CG 4.26Å; T451-E562 WeakPolarHBondContact CG2-OE1 3.39Å; T451-E562 VanDerWaalsContact OG1-CD 3.23Å; T451-E562 PolarHBondContact OG1-OE1 2.89Å; T451-E562 PolarHBondContact OG1-OE2 2.85Å; H453-E562 IonicContact CD2-OE2 3.78Å; H453-E562 IonicContact CE1-OE2 3.85Å; H453-E562 IonicContact NE2-OE2 3.75Å; H453-E562 PolarHBondContact NE2-OE2 3.46Å; A558-E562 WeakPolarHBondContact CA-O 3.46Å; L559-E562 PolarHBondContact N-O 2.86Å; L559-E562 WeakPolarHBondContact O-CA 3.36Å; L559-E562 WeakPolarHBondContact O-CB 3.38Å; L559-E562 PolarHBondContact O-N 2.93Å
563	C	88.3	Confident	85.1	Confident	4 Å²	4	36.2 Å²	36.2	3%	0.027	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	111.5	172.3	165	0	0	0	0	108.2	C340 L341 L547 C556 F565	C340-C563 WeakPolarHBondContact CA-O 3.45Å; L341-C563 PolarHBondContact N-O 3.37Å; L341-C563 PolarHBondContact O-N 3.49Å; L547-C563 HydrophobicContact CB-CB 3.87Å; L547-C563 HydrophobicContact CD1-CB 3.86Å; L547-C563 HydrophobicContact CD2-CB 3.76Å; L547-C563 HydrophobicContact CG-CB 4Å; C556-C563 HydrophobicContact CB-CB 4.21Å; C556-C563 WeakPolarHBondContact CB-SG 3.13Å; C556-C563 WeakPolarHBondContact SG-CB 3.43Å; C556-C563 CovalentContact SG-SG 2.02Å; C556-C563 PolarHBondContact SG-SG 2.91Å; C563-F565 WeakPolarHBondContact O-CE2 3.29Å
564	C	90.2	Very high	85	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	132.5	-168.8	-65.8	0	0	0	0	112.2	W338 C340 C556 A557 L559	W338-C564 HydrophobicContact CE3-CB 3.65Å; W338-C564 HydrophobicContact CZ3-CB 4.23Å; W338-C564 WeakPolarHBondContact CZ3-O 3.3Å; C340-C564 HydrophobicContact CB-CB 3.95Å; C340-C564 WeakPolarHBondContact CB-SG 3.48Å; C340-C564 WeakPolarHBondContact SG-CA 3.01Å; C340-C564 WeakPolarHBondContact SG-CB 2.94Å; C340-C564 CovalentContact SG-SG 2.01Å; C340-C564 PolarHBondContact SG-SG 3.42Å; C556-C564 CarbonylContact C-O 3.56Å; C556-C564 WeakPolarHBondContact CA-O 3.37Å; C556-C564 WeakPolarHBondContact CB-O 3.33Å; A557-C564 PolarHBondContact N-O 3.05Å; A557-C564 WeakPolarHBondContact O-CB 3.5Å; A557-C564 PolarHBondContact O-N 2.8Å; L559-C564 WeakPolarHBondContact CB-SG 3.26Å
565	F	91.8	Very high	85.1	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	132.6	178.1	-57.1	-98.5	0	0	0	109.1	L316 V319 W338 L339 L341 L550 L555 C556 C563 L572	L316-F565 HydrophobicContact CD1-CD1 4.24Å; L316-F565 HydrophobicContact CD1-CE1 4.19Å; V319-F565 HydrophobicContact CB-CD2 4.35Å; V319-F565 HydrophobicContact CG1-CB 4.04Å; V319-F565 HydrophobicContact CG1-CD2 4.02Å; V319-F565 HydrophobicContact CG1-CG 4.11Å; V319-F565 HydrophobicContact CG2-CD2 3.78Å; V319-F565 HydrophobicContact CG2-CE2 3.81Å; V319-F565 HydrophobicContact CG2-CG 4.46Å; V319-F565 HydrophobicContact CG2-CZ 4.48Å; W338-F565 CarbonylContact C-O 3.02Å; W338-F565 VanDerWaalsContact CA-O 3.3Å; W338-F565 WeakPolarHBondContact CA-O 3.33Å; L339-F565 PolarHBondContact N-O 3.31Å; L339-F565 WeakPolarHBondContact O-CD2 3.3Å; L339-F565 PolarHBondContact O-N 3.3Å; L341-F565 HydrophobicContact CD1-CE2 3.9Å; L341-F565 HydrophobicContact CD1-CZ 4.38Å; L341-F565 HydrophobicContact CG-CE2 4.08Å; L550-F565 HydrophobicContact CD1-CE1 4.48Å; L550-F565 HydrophobicContact CD1-CZ 3.9Å; L555-F565 WeakPolarHBondContact O-CD1 3.19Å; C556-F565 HydrophobicContact CB-CD1 4.1Å; C556-F565 HydrophobicContact CB-CD2 4.44Å; C556-F565 HydrophobicContact CB-CE1 3.85Å; C556-F565 HydrophobicContact CB-CE2 4.18Å; C556-F565 HydrophobicContact CB-CG 4.39Å; C556-F565 HydrophobicContact CB-CZ 3.9Å; C563-F565 WeakPolarHBondContact O-CE2 3.29Å; F565-L572 HydrophobicContact CB-CD1 3.61Å; F565-L572 HydrophobicContact CB-CG 4.38Å
566	Y	90.4	Very high	84.9	Confident	4 Å²	4	42.5 Å²	42.5	2%	0.016	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	135.3	174.8	176.2	-94.3	0	0	0	109.7	E336 W338 D568 V573 S576 K579	E336-Y566 HydrophobicContact CG-CE2 3.54Å; W338-Y566 HydrophobicContact CD2-CD2 4.42Å; W338-Y566 AromaticContact CE2-CD2 3.77Å; W338-Y566 AromaticContact CZ2-CD2 3.92Å; W338-Y566 HydrophobicContact CZ2-CD2 3.92Å; W338-Y566 HydrophobicContact CZ2-CG 4.31Å; W338-Y566 AromaticContact NE1-CD2 3.73Å; Y566-D568 HydrophobicContact CE1-CB 3.99Å; Y566-V573 HydrophobicContact CD1-CB 3.83Å; Y566-V573 HydrophobicContact CD1-CG2 3.56Å; Y566-V573 HydrophobicContact CE1-CG2 3.84Å; Y566-V573 PolarHBondContact O-N 2.97Å; Y566-S576 PolarHBondContact N-OG 2.95Å; Y566-K579 HydrophobicContact CD1-CG 3.9Å; Y566-K579 HydrophobicContact CE1-CG 3.83Å; Y566-K579 HydrophobicContact CE2-CG 4.47Å; Y566-K579 HydrophobicContact CG-CG 4.27Å
567	A	89.8	Confident	84.7	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	146.1	170.3	0	0	0	0	0	110.3	Y323 C337 G571 L572	Y323-A567 HydrophobicContact CD2-CB 3.46Å; Y323-A567 VanDerWaalsContact CD2-CB 3.46Å; Y323-A567 HydrophobicContact CE2-CB 3.73Å; Y323-A567 HydrophobicContact CG-CB 4.34Å; C337-A567 PolarHBondContact N-O 2.8Å; C337-A567 PolarHBondContact O-N 3.48Å; A567-G571 WeakPolarHBondContact CA-O 3.12Å; A567-L572 HydrophobicContact CB-CD1 4.09Å
568	D	88.1	Confident	84.7	Confident	26 Å²	26	47.4 Å²	47.4	14%	0.139	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	-176.4	169.4	62.3	30.8	0	0	0	109.7	Y323 T334 Q335 Y566 T570 G571	Y323-D568 PolarHBondContact OH-O 2.79Å; T334-D568 CarbonylContact O-C 3.54Å; T334-D568 VanDerWaalsContact O-C 3.31Å; Q335-D568 WeakPolarHBondContact O-CA 3.47Å; Y566-D568 HydrophobicContact CE1-CB 3.99Å; D568-T570 PolarHBondContact O-N 3.09Å; D568-T570 WeakPolarHBondContact OD1-CA 3.16Å; D568-T570 VanDerWaalsContact OD1-CB 3.3Å; D568-T570 WeakPolarHBondContact OD1-CB 3.21Å; D568-T570 PolarHBondContact OD1-N 3.04Å; D568-T570 PolarHBondContact OD1-OG1 3.3Å; D568-G571 PolarHBondContact N-O 3.14Å; D568-G571 PolarHBondContact O-N 3.5Å
569	H	82.3	Confident	84.7	Confident	127 Å²	127	47.9 Å²	47.9	59%	0.588	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	-21.4	179.5	69.5	-76.6	0	0	0	114.9	T334 Q335	T334-H569 PolarHBondContact O-N 3Å; Q335-H569 PolarHBondContact O-N 3.17Å
570	T	83.4	Confident	85	Confident	108 Å²	108	48 Å²	48	66%	0.663	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-17.9	176.7	73.6	0	0	0	0	112.9	D568	D568-T570 PolarHBondContact O-N 3.09Å; D568-T570 WeakPolarHBondContact OD1-CA 3.16Å; D568-T570 VanDerWaalsContact OD1-CB 3.3Å; D568-T570 WeakPolarHBondContact OD1-CB 3.21Å; D568-T570 PolarHBondContact OD1-N 3.04Å; D568-T570 PolarHBondContact OD1-OG1 3.3Å
571	G	85.9	Confident	85.5	Confident	11 Å²	11	50.3 Å²	50.3	11%	0.113	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	128.6	-162.8	-179.6	0	0	0	0	0	113.5	A567 D568	A567-G571 WeakPolarHBondContact CA-O 3.12Å; D568-G571 PolarHBondContact N-O 3.14Å; D568-G571 PolarHBondContact O-N 3.5Å
572	L	86.2	Confident	86.2	Confident	33 Å²	33	48.3 Å²	48.3	17%	0.173	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	126.5	177	-164.3	69.7	0	0	0	110.6	L316 V319 K320 F565 A567	L316-L572 HydrophobicContact CD1-CD2 3.49Å; L316-L572 VanDerWaalsContact CD1-CD2 3.49Å; L316-L572 HydrophobicContact CD1-CG 4.49Å; L316-L572 HydrophobicContact CG-CD2 4.18Å; V319-L572 HydrophobicContact CB-CD2 4.02Å; V319-L572 HydrophobicContact CG1-CD1 3.65Å; V319-L572 HydrophobicContact CG1-CD2 3.89Å; V319-L572 HydrophobicContact CG1-CG 4.46Å; K320-L572 HydrophobicContact CB-CD2 4.32Å; F565-L572 HydrophobicContact CB-CD1 3.61Å; F565-L572 HydrophobicContact CB-CG 4.38Å; A567-L572 HydrophobicContact CB-CD1 4.09Å
573	V	84.1	Confident	86.3	Confident	38 Å²	38	50.1 Å²	50.1	23%	0.23	25%	0.246	C	C	.	.			trans	-95.2	120.1	-179.8	-176.6	0	0	0	0	109.8	Y566 S576	Y566-V573 HydrophobicContact CD1-CB 3.83Å; Y566-V573 HydrophobicContact CD1-CG2 3.56Å; Y566-V573 HydrophobicContact CE1-CG2 3.84Å; Y566-V573 PolarHBondContact O-N 2.97Å; V573-S576 PolarHBondContact O-OG 2.66Å
574	R	79.7	Confident	86.2	Confident	122 Å²	122	51.8 Å²	51.8	46%	0.46	26%	0.255	S	S	.	.	S	Bend	trans	-64.2	-45.8	-177.8	-67.7	-176	86.3	174.3	6.2	112.2	E312 L316 L555 S576	E312-R574 IonicContact OE1-CZ 2.77Å; E312-R574 IonicContact OE1-NH2 3.8Å; E312-R574 PolarHBondContact OE1-NH2 3Å; L316-R574 HydrophobicContact CD2-CG 4.24Å; L555-R574 CarbonylContact C-O 3.53Å; L555-R574 VanDerWaalsContact CA-O 3.26Å; L555-R574 WeakPolarHBondContact CA-O 3.4Å; L555-R574 HydrophobicContact CD2-CB 4.05Å; L555-R574 VanDerWaalsContact O-O 3.11Å; R574-S576 PolarHBondContact O-N 2.87Å
575	D	82.1	Confident	86	Confident	104 Å²	104	54.3 Å²	54.3	56%	0.556	27%	0.272	S	S	*	.			trans	-85.7	56.6	-178.2	-63.6	-30.3	0	0	0	113	M577 A578 K579	D575-M577 VanDerWaalsContact C-N 3.28Å; D575-M577 PolarHBondContact O-N 3.22Å; D575-A578 HydrophobicContact CB-CB 4.11Å; D575-A578 WeakPolarHBondContact O-CB 3.38Å; D575-A578 PolarHBondContact O-N 3.15Å; D575-A578 VanDerWaalsContact O-N 3.11Å; D575-K579 PolarHBondContact O-N 3.16Å; D575-K579 VanDerWaalsContact O-N 3.14Å
576	S	82.3	Confident	85.8	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-57.5	-37.5	-174.9	-74	0	0	0	0	113.1	Y566 V573 R574 K579 L580	Y566-S576 PolarHBondContact N-OG 2.95Å; V573-S576 PolarHBondContact O-OG 2.66Å; R574-S576 PolarHBondContact O-N 2.87Å; S576-K579 PolarHBondContact O-N 2.94Å; S576-L580 WeakPolarHBondContact O-CB 3.34Å; S576-L580 PolarHBondContact O-N 3.22Å
577	M	84.7	Confident	85.3	Confident	47 Å²	47	61.3 Å²	61.3	23%	0.232	30%	0.302	C	S	.	.	H	α-helix	trans	-69.4	-34.2	178.7	-84.4	-63.2	-63	0	0	113.2	C556 A557 D575 L580 R581	C556-M577 WeakPolarHBondContact O-CG 3.17Å; A557-M577 HydrophobicContact CB-SD 3.78Å; D575-M577 VanDerWaalsContact C-N 3.28Å; D575-M577 PolarHBondContact O-N 3.22Å; M577-L580 HydrophobicContact SD-CD2 4.06Å; M577-R581 WeakPolarHBondContact O-CG 3.46Å; M577-R581 PolarHBondContact O-N 2.89Å
578	A	86.2	Confident	84.7	Confident	57 Å²	57	66.3 Å²	66.3	47%	0.471	33%	0.325	S	S	.	.	H	α-helix	trans	-65.7	-44.2	173.9	0	0	0	0	0	110	D575 L580 R581 E582	D575-A578 HydrophobicContact CB-CB 4.11Å; D575-A578 WeakPolarHBondContact O-CB 3.38Å; D575-A578 PolarHBondContact O-N 3.15Å; D575-A578 VanDerWaalsContact O-N 3.11Å; A578-L580 PolarHBondContact O-N 3.21Å; A578-R581 PolarHBondContact O-N 3Å; A578-E582 PolarHBondContact O-N 2.93Å
579	K	84.8	Confident	84.4	Confident	46 Å²	46	71.7 Å²	71.7	20%	0.2	35%	0.347	C	S	.	.	H	α-helix	trans	-63	-42.1	177.7	-165.8	57	171.3	-178.8	0	112.6	Y566 D575 S576 E582 R583	Y566-K579 HydrophobicContact CD1-CG 3.9Å; Y566-K579 HydrophobicContact CE1-CG 3.83Å; Y566-K579 HydrophobicContact CE2-CG 4.47Å; Y566-K579 HydrophobicContact CG-CG 4.27Å; D575-K579 PolarHBondContact O-N 3.16Å; D575-K579 VanDerWaalsContact O-N 3.14Å; S576-K579 PolarHBondContact O-N 2.94Å; K579-E582 VanDerWaalsContact CD-OE2 3.25Å; K579-E582 WeakPolarHBondContact CD-OE2 3.37Å; K579-E582 IonicContact NZ-OE1 2.88Å; K579-E582 IonicContact NZ-OE2 2.93Å; K579-E582 PolarHBondContact NZ-OE2 3.15Å; K579-E582 WeakPolarHBondContact O-CB 2.8Å; K579-E582 PolarHBondContact O-N 3.32Å; K579-R583 VanDerWaalsContact O-CG 3.32Å; K579-R583 WeakPolarHBondContact O-CG 2.96Å; K579-R583 PolarHBondContact O-N 3.28Å
580	L	86.4	Confident	84.1	Confident	3 Å²	3	71.2 Å²	71.2	2%	0.016	35%	0.348	C	S	.	.	H	α-helix	trans	-60.2	-47.5	175.2	179.8	58.6	0	0	0	111.9	W338 V458 Y459 F462 A557 S576 M577 A578 E582 R583 L584	W338-L580 HydrophobicContact CH2-CB 3.91Å; W338-L580 HydrophobicContact CH2-CD1 4.44Å; W338-L580 HydrophobicContact CH2-CD2 4.34Å; W338-L580 HydrophobicContact CH2-CG 4.46Å; W338-L580 HydrophobicContact CZ2-CB 4.1Å; W338-L580 HydrophobicContact CZ2-CD1 4.02Å; W338-L580 HydrophobicContact CZ2-CG 4.49Å; V458-L580 HydrophobicContact CG1-CD1 4.43Å; Y459-L580 HydrophobicContact CD1-CD1 3.45Å; Y459-L580 VanDerWaalsContact CD1-CD1 3.45Å; Y459-L580 HydrophobicContact CE1-CD1 3.67Å; F462-L580 HydrophobicContact CD1-CD2 4.34Å; F462-L580 HydrophobicContact CD2-CD1 4.23Å; F462-L580 HydrophobicContact CD2-CD2 3.69Å; F462-L580 HydrophobicContact CE1-CD2 4.31Å; F462-L580 HydrophobicContact CE2-CD2 3.68Å; F462-L580 HydrophobicContact CG-CD2 4.05Å; F462-L580 HydrophobicContact CZ-CD2 3.99Å; A557-L580 HydrophobicContact CB-CD2 3.79Å; S576-L580 WeakPolarHBondContact O-CB 3.34Å; S576-L580 PolarHBondContact O-N 3.22Å; M577-L580 HydrophobicContact SD-CD2 4.06Å; A578-L580 PolarHBondContact O-N 3.21Å; L580-E582 VanDerWaalsContact C-N 3.33Å; L580-E582 PolarHBondContact O-N 3.29Å; L580-R583 PolarHBondContact O-N 3.36Å; L580-L584 HydrophobicContact CD1-CD1 3.97Å; L580-L584 HydrophobicContact CD1-CG 4.09Å; L580-L584 HydrophobicContact CG-CD1 3.93Å; L580-L584 HydrophobicContact CG-CG 4.46Å; L580-L584 WeakPolarHBondContact O-CB 3.43Å; L580-L584 VanDerWaalsContact O-CG 3.28Å; L580-L584 WeakPolarHBondContact O-CG 3.49Å; L580-L584 PolarHBondContact O-N 3.21Å
581	R	87.9	Confident	83.2	Confident	173 Å²	173	70.7 Å²	70.7	65%	0.653	34%	0.337	S	S	*	.	H	α-helix	trans	-59.9	-43.6	176.6	-74.8	174.9	-178.5	162.2	2	111.7	M577 A578 S585	M577-R581 WeakPolarHBondContact O-CG 3.46Å; M577-R581 PolarHBondContact O-N 2.89Å; A578-R581 PolarHBondContact O-N 3Å; R581-S585 WeakPolarHBondContact O-CB 3.14Å; R581-S585 PolarHBondContact O-N 2.92Å; R581-S585 PolarHBondContact O-OG 2.86Å
582	E	90.4	Very high	82.2	Confident	78 Å²	78	75.4 Å²	75.4	36%	0.364	36%	0.356	S	S	.	.	H	α-helix	trans	-56.3	-51.9	175.7	-169.7	-160.5	163.4	0	0	111	A578 K579 L580 S585 Q586	A578-E582 PolarHBondContact O-N 2.93Å; K579-E582 VanDerWaalsContact CD-OE2 3.25Å; K579-E582 WeakPolarHBondContact CD-OE2 3.37Å; K579-E582 IonicContact NZ-OE1 2.88Å; K579-E582 IonicContact NZ-OE2 2.93Å; K579-E582 PolarHBondContact NZ-OE2 3.15Å; K579-E582 WeakPolarHBondContact O-CB 2.8Å; K579-E582 PolarHBondContact O-N 3.32Å; L580-E582 VanDerWaalsContact C-N 3.33Å; L580-E582 PolarHBondContact O-N 3.29Å; E582-S585 PolarHBondContact O-N 2.92Å; E582-S585 PolarHBondContact O-OG 3.46Å; E582-Q586 PolarHBondContact O-N 2.89Å; E582-Q586 PolarHBondContact OE1-NE2 2.93Å
583	R	86.8	Confident	81.1	Confident	71 Å²	71	78 Å²	78	27%	0.268	38%	0.377	S	S	.	.	H	α-helix	trans	-66.4	-41.4	-177.3	-68.3	-65.8	-163.9	-158.3	3.5	113.4	E336 Y459 K579 L580 S585 Q586 R587	E336-R583 IonicContact OE1-NE 2.7Å; Y459-R583 HydrophobicContact CD1-CB 4.34Å; Y459-R583 HydrophobicContact CE1-CB 3.72Å; Y459-R583 HydrophobicContact CE1-CG 4.17Å; K579-R583 VanDerWaalsContact O-CG 3.32Å; K579-R583 WeakPolarHBondContact O-CG 2.96Å; K579-R583 PolarHBondContact O-N 3.28Å; L580-R583 PolarHBondContact O-N 3.36Å; R583-S585 VanDerWaalsContact C-N 3.3Å; R583-S585 PolarHBondContact O-N 2.9Å; R583-Q586 PolarHBondContact O-N 3.48Å; R583-R587 WeakPolarHBondContact O-CG 3.31Å; R583-R587 PolarHBondContact O-N 2.95Å
584	L	86.3	Confident	79.5	Confident	39 Å²	39	83.5 Å²	83.5	20%	0.204	40%	0.4	C	S	.	.	H	α-helix	trans	-61	-41.6	173.5	-70.6	172.4	0	0	0	110.9	F462 E463 L580 R587 Q588	F462-L584 HydrophobicContact CB-CD1 3.76Å; F462-L584 HydrophobicContact CB-CD2 4.28Å; E463-L584 HydrophobicContact CG-CD2 3.61Å; L580-L584 HydrophobicContact CD1-CD1 3.97Å; L580-L584 HydrophobicContact CD1-CG 4.09Å; L580-L584 HydrophobicContact CG-CD1 3.93Å; L580-L584 HydrophobicContact CG-CG 4.46Å; L580-L584 WeakPolarHBondContact O-CB 3.43Å; L580-L584 VanDerWaalsContact O-CG 3.28Å; L580-L584 WeakPolarHBondContact O-CG 3.49Å; L580-L584 PolarHBondContact O-N 3.21Å; L584-R587 PolarHBondContact O-N 2.59Å; L584-Q588 WeakPolarHBondContact O-CB 2.99Å; L584-Q588 PolarHBondContact O-N 2.9Å
585	S	86.9	Confident	78.2	Confident	53 Å²	53	81.2 Å²	81.2	37%	0.371	40%	0.395	S	S	.	.	H	α-helix	trans	-66.6	-38.8	177.2	80.6	0	0	0	0	113	R581 E582 R583 Q588 K589	R581-S585 WeakPolarHBondContact O-CB 3.14Å; R581-S585 PolarHBondContact O-N 2.92Å; R581-S585 PolarHBondContact O-OG 2.86Å; E582-S585 PolarHBondContact O-N 2.92Å; E582-S585 PolarHBondContact O-OG 3.46Å; R583-S585 VanDerWaalsContact C-N 3.3Å; R583-S585 PolarHBondContact O-N 2.9Å; S585-Q588 PolarHBondContact O-N 3.23Å; S585-K589 WeakPolarHBondContact O-CG 3.3Å; S585-K589 PolarHBondContact O-N 3.29Å
586	Q	86.9	Confident	76.7	Confident	73 Å²	73	78.6 Å²	78.6	34%	0.341	39%	0.393	S	S	.	.	H	α-helix	trans	-62.6	-45.6	175.9	-78.1	174.2	-7.5	0	0	111.2	E582 R583 K589 L590	E582-Q586 PolarHBondContact O-N 2.89Å; E582-Q586 PolarHBondContact OE1-NE2 2.93Å; R583-Q586 PolarHBondContact O-N 3.48Å; Q586-K589 PolarHBondContact O-N 3.46Å; Q586-L590 WeakPolarHBondContact O-CG 3.11Å; Q586-L590 PolarHBondContact O-N 3.14Å
587	R	80	Confident	75.2	Confident	78 Å²	78	87.6 Å²	87.6	29%	0.294	43%	0.427	S	S	.	.	H	α-helix	trans	-63.7	-43.8	177.2	-72.4	178.3	172.2	-151.8	-7.4	112.1	E463 R583 L584 K589 L590 F591	E463-R587 WeakPolarHBondContact OE1-CD 3.37Å; E463-R587 IonicContact OE1-CZ 3.2Å; E463-R587 IonicContact OE1-NE 3.37Å; E463-R587 IonicContact OE1-NH1 2.79Å; E463-R587 PolarHBondContact OE1-NH1 3.24Å; R583-R587 WeakPolarHBondContact O-CG 3.31Å; R583-R587 PolarHBondContact O-N 2.95Å; L584-R587 PolarHBondContact O-N 2.59Å; R587-K589 VanDerWaalsContact C-N 3.28Å; R587-K589 PolarHBondContact O-N 3.32Å; R587-L590 PolarHBondContact O-N 2.89Å; R587-L590 VanDerWaalsContact O-N 3.16Å; R587-F591 WeakPolarHBondContact O-CD2 3.37Å; R587-F591 PolarHBondContact O-N 2.89Å
588	Q	78.3	Confident	73.5	Confident	105 Å²	105	90.8 Å²	90.8	49%	0.491	44%	0.44	S	S	.	.	H	α-helix	trans	-56.4	-44.6	175.2	-176.4	62.4	23.5	0	0	111.3	L584 S585 F591 E592	L584-Q588 WeakPolarHBondContact O-CB 2.99Å; L584-Q588 PolarHBondContact O-N 2.9Å; S585-Q588 PolarHBondContact O-N 3.23Å; Q588-F591 PolarHBondContact O-N 3.13Å; Q588-E592 WeakPolarHBondContact CG-OE1 3.5Å; Q588-E592 PolarHBondContact NE2-OE1 2.89Å; Q588-E592 WeakPolarHBondContact O-CG 3.21Å; Q588-E592 PolarHBondContact O-N 3.23Å
589	K	82	Confident	71.7	Confident	140 Å²	140	92.9 Å²	92.9	61%	0.609	44%	0.44	S	S	*	.	H	α-helix	trans	-64.4	-39.3	175.6	-72.1	175.1	-179.4	-179.5	0	113.5	S585 Q586 R587 F591 E592 S593	S585-K589 WeakPolarHBondContact O-CG 3.3Å; S585-K589 PolarHBondContact O-N 3.29Å; Q586-K589 PolarHBondContact O-N 3.46Å; R587-K589 VanDerWaalsContact C-N 3.28Å; R587-K589 PolarHBondContact O-N 3.32Å; K589-F591 VanDerWaalsContact C-N 3.31Å; K589-E592 PolarHBondContact O-N 3.48Å; K589-S593 PolarHBondContact O-N 3.08Å; K589-S593 PolarHBondContact O-OG 3.13Å
590	L	74.2	Confident	70.2	Confident	116 Å²	116	92.6 Å²	92.6	61%	0.607	45%	0.45	S	S	*	.	H	α-helix	trans	-63.9	-37.1	175	-74	170	0	0	0	111.9	Q586 R587 S593 Q594	Q586-L590 WeakPolarHBondContact O-CG 3.11Å; Q586-L590 PolarHBondContact O-N 3.14Å; R587-L590 PolarHBondContact O-N 2.89Å; R587-L590 VanDerWaalsContact O-N 3.16Å; L590-S593 PolarHBondContact O-OG 3.04Å; L590-Q594 WeakPolarHBondContact O-CB 3.47Å; L590-Q594 PolarHBondContact O-N 3.02Å; L590-Q594 VanDerWaalsContact O-N 3.11Å
591	F	65.3	Low	68.5	Low	97 Å²	97	97.2 Å²	97.2	43%	0.425	47%	0.474	S	S	.	.	H	α-helix	trans	-67.4	-44.9	172.6	-78.5	-65.3	0	0	0	111.6	R587 Q588 K589 S593 Q594 Q595	R587-F591 WeakPolarHBondContact O-CD2 3.37Å; R587-F591 PolarHBondContact O-N 2.89Å; Q588-F591 PolarHBondContact O-N 3.13Å; K589-F591 VanDerWaalsContact C-N 3.31Å; F591-S593 VanDerWaalsContact C-N 3.31Å; F591-S593 PolarHBondContact O-N 3.03Å; F591-Q594 PolarHBondContact O-N 3.46Å; F591-Q595 WeakPolarHBondContact O-CB 3.28Å; F591-Q595 PolarHBondContact O-N 3.45Å
592	E	64.6	Low	66.7	Low	111 Å²	111	92.4 Å²	92.4	52%	0.519	46%	0.458	S	S	.	.	H	α-helix	trans	-62.4	-36.4	177.7	-74	168.9	-170.8	0	0	112.3	Q588 K589 G596	Q588-E592 WeakPolarHBondContact CG-OE1 3.5Å; Q588-E592 PolarHBondContact NE2-OE1 2.89Å; Q588-E592 WeakPolarHBondContact O-CG 3.21Å; Q588-E592 PolarHBondContact O-N 3.23Å; K589-E592 PolarHBondContact O-N 3.48Å; E592-G596 WeakPolarHBondContact O-CA 3.47Å; E592-G596 PolarHBondContact O-N 3.33Å
593	S	62.9	Low	64.9	Low	87 Å²	87	95.7 Å²	95.7	61%	0.608	48%	0.478	S	S	*	.	H	α-helix	trans	-71.3	-35.1	175.2	71	0	0	0	0	112.9	K589 L590 F591	K589-S593 PolarHBondContact O-N 3.08Å; K589-S593 PolarHBondContact O-OG 3.13Å; L590-S593 PolarHBondContact O-OG 3.04Å; F591-S593 VanDerWaalsContact C-N 3.31Å; F591-S593 PolarHBondContact O-N 3.03Å
594	Q	52	Low	63.3	Low	153 Å²	153	101.4 Å²	101.4	72%	0.715	51%	0.505	S	S	*	.	H	α-helix	trans	-75.5	-30.6	176.9	-169.5	172.7	-3.4	0	0	112.6	L590 F591	L590-Q594 WeakPolarHBondContact O-CB 3.47Å; L590-Q594 PolarHBondContact O-N 3.02Å; L590-Q594 VanDerWaalsContact O-N 3.11Å; F591-Q594 PolarHBondContact O-N 3.46Å
595	Q	50.8	Low	61.8	Low	74 Å²	74	100.4 Å²	100.4	35%	0.346	50%	0.501	S	S	.	.	H	α-helix	trans	-91.4	-17.8	-176.7	-153	157.7	-5.5	0	0	112.6	F591 W597 E599	F591-Q595 WeakPolarHBondContact O-CB 3.28Å; F591-Q595 PolarHBondContact O-N 3.45Å; Q595-W597 PolarHBondContact O-N 2.79Å; Q595-E599 HydrophobicContact CG-CG 4.18Å; Q595-E599 PolarHBondContact NE2-OE1 2.95Å; Q595-E599 PolarHBondContact O-N 2.03Å
596	G	51.1	Low	60.4	Low	50 Å²	50	103 Å²	103	52%	0.515	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-18.1	-166.6	0	0	0	0	0	118.6	E592	E592-G596 WeakPolarHBondContact O-CA 3.47Å; E592-G596 PolarHBondContact O-N 3.33Å
597	W	51.1	Low	59.3	Low	188 Å²	188	107.4 Å²	107.4	71%	0.712	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-38.2	-178.7	88.5	-70.2	0	0	0	114.2	Q595 L601	Q595-W597 PolarHBondContact O-N 2.79Å; W597-L601 PolarHBondContact O-N 2.89Å
598	F	48.3	Very low	58.2	Low	114 Å²	114	107.1 Å²	107.1	50%	0.5	53%	0.531	S	S	.	.	H	α-helix	trans	-77.4	-50.5	179.4	-114.6	-112.5	0	0	0	111.2	G600 L601 F602	F598-G600 VanDerWaalsContact C-N 3.28Å; F598-G600 PolarHBondContact O-N 2.94Å; F598-L601 PolarHBondContact O-N 2.89Å; F598-L601 VanDerWaalsContact O-N 3.12Å; F598-F602 AromaticContact CD1-CD2 3.85Å; F598-F602 HydrophobicContact CD1-CD2 3.85Å; F598-F602 AromaticContact CD1-CE2 3.37Å; F598-F602 HydrophobicContact CD1-CE2 3.37Å; F598-F602 HydrophobicContact CD1-CZ 4.47Å; F598-F602 HydrophobicContact CE1-CD2 4.43Å; F598-F602 AromaticContact CE1-CE2 3.51Å; F598-F602 HydrophobicContact CE1-CE2 3.51Å; F598-F602 HydrophobicContact CE1-CZ 4.26Å; F598-F602 HydrophobicContact CG-CD2 4.47Å; F598-F602 HydrophobicContact CG-CE2 4.25Å; F598-F602 HydrophobicContact CZ-CE2 4.48Å; F598-F602 VanDerWaalsContact O-CD2 3.23Å; F598-F602 WeakPolarHBondContact O-CD2 3.42Å; F598-F602 PolarHBondContact O-N 3.12Å; F598-F602 VanDerWaalsContact O-N 3.07Å
599	E	49.3	Very low	57.4	Low	102 Å²	102	105 Å²	105	48%	0.477	53%	0.525	S	S	.	.	H	α-helix	trans	-64.1	-34	-179.5	-73.4	-171.4	-179.8	0	0	112.4	Q595 L601 F602 N603	Q595-E599 HydrophobicContact CG-CG 4.18Å; Q595-E599 PolarHBondContact NE2-OE1 2.95Å; Q595-E599 PolarHBondContact O-N 2.03Å; E599-L601 VanDerWaalsContact C-N 3.32Å; E599-L601 PolarHBondContact O-N 2.8Å; E599-F602 PolarHBondContact O-N 2.7Å; E599-N603 WeakPolarHBondContact O-CB 3.37Å; E599-N603 PolarHBondContact O-N 3.05Å
600	G	52.7	Low	56.6	Low	40 Å²	40	102.1 Å²	102.1	41%	0.412	52%	0.52	S	S	.	.	H	α-helix	trans	-65.2	-31	175.3	0	0	0	0	0	113.9	F598 K604	F598-G600 VanDerWaalsContact C-N 3.28Å; F598-G600 PolarHBondContact O-N 2.94Å; G600-K604 WeakPolarHBondContact O-CB 3.16Å
601	L	51.4	Low	56.2	Low	100 Å²	100	100.6 Å²	100.6	52%	0.524	51%	0.512	S	S	.	.	H	α-helix	trans	-80.6	-38.7	177.5	-148.7	91.8	0	0	0	111.7	W597 F598 E599 F608	W597-L601 PolarHBondContact O-N 2.89Å; F598-L601 PolarHBondContact O-N 2.89Å; F598-L601 VanDerWaalsContact O-N 3.12Å; E599-L601 VanDerWaalsContact C-N 3.32Å; E599-L601 PolarHBondContact O-N 2.8Å; L601-F608 HydrophobicContact CD2-CE1 4.35Å
602	F	50.4	Low	56.2	Low	72 Å²	72	99.1 Å²	99.1	32%	0.316	51%	0.507	S	S	.	.	H	α-helix	trans	-75.5	-30.8	-179.9	-81.1	-75.4	0	0	0	113.4	F598 E599 T609 I612	F598-F602 AromaticContact CD1-CD2 3.85Å; F598-F602 HydrophobicContact CD1-CD2 3.85Å; F598-F602 AromaticContact CD1-CE2 3.37Å; F598-F602 HydrophobicContact CD1-CE2 3.37Å; F598-F602 HydrophobicContact CD1-CZ 4.47Å; F598-F602 HydrophobicContact CE1-CD2 4.43Å; F598-F602 AromaticContact CE1-CE2 3.51Å; F598-F602 HydrophobicContact CE1-CE2 3.51Å; F598-F602 HydrophobicContact CE1-CZ 4.26Å; F598-F602 HydrophobicContact CG-CD2 4.47Å; F598-F602 HydrophobicContact CG-CE2 4.25Å; F598-F602 HydrophobicContact CZ-CE2 4.48Å; F598-F602 VanDerWaalsContact O-CD2 3.23Å; F598-F602 WeakPolarHBondContact O-CD2 3.42Å; F598-F602 PolarHBondContact O-N 3.12Å; F598-F602 VanDerWaalsContact O-N 3.07Å; E599-F602 PolarHBondContact O-N 2.7Å; F602-T609 HydrophobicContact CD1-CG2 3.62Å; F602-T609 HydrophobicContact CE1-CG2 4.3Å; F602-I612 HydrophobicContact CZ-CD1 4.49Å
603	N	51.9	Low	56.3	Low	146 Å²	146	98.1 Å²	98.1	78%	0.781	51%	0.513	S	S	*	.	H	α-helix	trans	-83.3	-19.7	177.6	-91	-20.6	0	0	0	114.6	E599	E599-N603 WeakPolarHBondContact O-CB 3.37Å; E599-N603 PolarHBondContact O-N 3.05Å
604	K	53.5	Low	56.6	Low	191 Å²	191	98.7 Å²	98.7	83%	0.83	51%	0.513	S	S	*	.	S	Bend	trans	-85.9	-12.6	-176.4	-107.2	-176	174.5	179.1	0	114.7	G600	G600-K604 WeakPolarHBondContact O-CB 3.16Å
605	S	54.7	Low	57.7	Low	19 Å²	19	95.3 Å²	95.3	13%	0.133	50%	0.499	C	S	.	.			trans	-145.8	101.3	-170.9	173.2	0	0	0	0	112.5	W607 F608	S605-W607 PolarHBondContact O-N 3.41Å; S605-W607 VanDerWaalsContact O-N 3.15Å; S605-W607 VanDerWaalsContact OG-CG 3.3Å; S605-W607 PolarHBondContact OG-NE1 2.9Å; S605-F608 PolarHBondContact O-N 3.38Å; S605-F608 PolarHBondContact OG-N 3.22Å
606	P	57.7	Low	58.8	Low	106 Å²	106	96.8 Å²	96.8	69%	0.688	51%	0.507	S	S	*	.	H	α-helix	trans	-61.3	-18.1	174.1	-22.4	33	0	0	0	114.2	T609 T610	P606-T609 PolarHBondContact O-OG1 3.16Å; P606-T609 VanDerWaalsContact O-OG1 3.11Å; P606-T610 PolarHBondContact O-OG1 3.04Å
607	W	62.7	Low	59.8	Low	167 Å²	167	95.9 Å²	95.9	63%	0.633	50%	0.498	S	S	*	.	H	α-helix	trans	-83.3	-24.3	-178.8	69.1	-94.8	0	0	0	112.8	S605 T610 L611	S605-W607 PolarHBondContact O-N 3.41Å; S605-W607 VanDerWaalsContact O-N 3.15Å; S605-W607 VanDerWaalsContact OG-CG 3.3Å; S605-W607 PolarHBondContact OG-NE1 2.9Å; W607-T610 WeakPolarHBondContact CA-OG1 3.46Å; W607-T610 PolarHBondContact O-OG1 3.4Å; W607-L611 WeakPolarHBondContact O-CB 2.97Å; W607-L611 PolarHBondContact O-N 3.35Å; W607-L611 VanDerWaalsContact O-N 3.07Å
608	F	57	Low	61.3	Low	72 Å²	72	90.7 Å²	90.7	32%	0.316	49%	0.488	S	S	.	.	H	α-helix	trans	-78.7	-36.6	-178	-155.2	-99.3	0	0	0	112.7	L601 S605 I612	L601-F608 HydrophobicContact CD2-CE1 4.35Å; S605-F608 PolarHBondContact O-N 3.38Å; S605-F608 PolarHBondContact OG-N 3.22Å; F608-I612 HydrophobicContact CD1-CD1 3.83Å; F608-I612 HydrophobicContact CE1-CD1 3.51Å; F608-I612 HydrophobicContact CE1-CG1 4.39Å; F608-I612 HydrophobicContact CZ-CD1 4.3Å; F608-I612 WeakPolarHBondContact O-CG1 3.49Å; F608-I612 PolarHBondContact O-N 3.45Å
609	T	61	Low	62.7	Low	59 Å²	59	90.1 Å²	90.1	36%	0.362	49%	0.49	S	S	.	.	H	α-helix	trans	-64.2	-42.5	173.4	46.7	0	0	0	0	112	F602 P606 S613	F602-T609 HydrophobicContact CD1-CG2 3.62Å; F602-T609 HydrophobicContact CE1-CG2 4.3Å; P606-T609 PolarHBondContact O-OG1 3.16Å; P606-T609 VanDerWaalsContact O-OG1 3.11Å; T609-S613 WeakPolarHBondContact O-CB 3.49Å; T609-S613 PolarHBondContact O-N 2.84Å; T609-S613 VanDerWaalsContact O-N 3.11Å
610	T	65.8	Low	64.2	Low	80 Å²	80	89.7 Å²	89.7	49%	0.491	49%	0.49	S	S	.	.	H	α-helix	trans	-69.4	-39.9	178.3	45.6	0	0	0	0	111.4	P606 W607 S613 T614	P606-T610 PolarHBondContact O-OG1 3.04Å; W607-T610 WeakPolarHBondContact CA-OG1 3.46Å; W607-T610 PolarHBondContact O-OG1 3.4Å; T610-S613 PolarHBondContact O-N 2.99Å; T610-T614 WeakPolarHBondContact O-CB 3.37Å; T610-T614 PolarHBondContact O-N 3.5Å; T610-T614 PolarHBondContact O-OG1 3.23Å
611	L	66.1	Low	65.6	Low	84 Å²	84	92.7 Å²	92.7	44%	0.44	50%	0.495	S	S	.	.	H	α-helix	trans	-61.8	-46.4	176.9	-145.8	99.6	0	0	0	112.3	W607 T614 I615	W607-L611 WeakPolarHBondContact O-CB 2.97Å; W607-L611 PolarHBondContact O-N 3.35Å; W607-L611 VanDerWaalsContact O-N 3.07Å; L611-T614 PolarHBondContact O-N 3.23Å; L611-I615 HydrophobicContact CD2-CD1 3.8Å; L611-I615 HydrophobicContact CG-CD1 3.78Å; L611-I615 WeakPolarHBondContact O-CB 3.44Å; L611-I615 VanDerWaalsContact O-CG1 3.29Å; L611-I615 WeakPolarHBondContact O-CG1 3.48Å; L611-I615 PolarHBondContact O-N 3.22Å
612	I	65.9	Low	67.1	Low	66 Å²	66	92.8 Å²	92.8	34%	0.338	50%	0.496	S	S	.	.	H	α-helix	trans	-67.3	-42.4	-179.9	-69	-177.9	0	0	0	111.2	F602 F608 T614 I615 M616	F602-I612 HydrophobicContact CZ-CD1 4.49Å; F608-I612 HydrophobicContact CD1-CD1 3.83Å; F608-I612 HydrophobicContact CE1-CD1 3.51Å; F608-I612 HydrophobicContact CE1-CG1 4.39Å; F608-I612 HydrophobicContact CZ-CD1 4.3Å; F608-I612 WeakPolarHBondContact O-CG1 3.49Å; F608-I612 PolarHBondContact O-N 3.45Å; I612-T614 VanDerWaalsContact C-N 3.29Å; I612-T614 PolarHBondContact O-N 2.92Å; I612-I615 PolarHBondContact O-N 2.99Å; I612-M616 HydrophobicContact CG2-CE 4.02Å; I612-M616 HydrophobicContact CG2-SD 4.46Å; I612-M616 WeakPolarHBondContact O-CB 3.24Å; I612-M616 PolarHBondContact O-N 3.23Å
613	S	65.1	Low	68.5	Low	90 Å²	90	94.5 Å²	94.5	63%	0.629	51%	0.508	S	S	*	.	H	α-helix	trans	-60.6	-40.1	176.1	-172.7	0	0	0	0	112.1	T609 T610	T609-S613 WeakPolarHBondContact O-CB 3.49Å; T609-S613 PolarHBondContact O-N 2.84Å; T609-S613 VanDerWaalsContact O-N 3.11Å; T610-S613 PolarHBondContact O-N 2.99Å
614	T	69.8	Low	69.8	Low	99 Å²	99	91.5 Å²	91.5	61%	0.607	49%	0.491	S	S	*	.	H	α-helix	trans	-77	-32.2	-175.8	-45.8	0	0	0	0	112.7	T610 L611 I612 P618	T610-T614 WeakPolarHBondContact O-CB 3.37Å; T610-T614 PolarHBondContact O-N 3.5Å; T610-T614 PolarHBondContact O-OG1 3.23Å; L611-T614 PolarHBondContact O-N 3.23Å; I612-T614 VanDerWaalsContact C-N 3.29Å; I612-T614 PolarHBondContact O-N 2.92Å; T614-P618 WeakPolarHBondContact O-CD 3.41Å; T614-P618 VanDerWaalsContact O-CG 3.29Å; T614-P618 WeakPolarHBondContact O-CG 3.37Å
615	I	74.6	Confident	71.2	Confident	83 Å²	83	87.5 Å²	87.5	43%	0.426	48%	0.478	S	S	.	.	H	α-helix	trans	-90.5	-28.6	-176.3	-64.9	171.8	0	0	0	112.3	L611 I612 G617 P618 L619	L611-I615 HydrophobicContact CD2-CD1 3.8Å; L611-I615 HydrophobicContact CG-CD1 3.78Å; L611-I615 WeakPolarHBondContact O-CB 3.44Å; L611-I615 VanDerWaalsContact O-CG1 3.29Å; L611-I615 WeakPolarHBondContact O-CG1 3.48Å; L611-I615 PolarHBondContact O-N 3.22Å; I612-I615 PolarHBondContact O-N 2.99Å; I615-G617 PolarHBondContact O-N 2.76Å; I615-P618 WeakPolarHBondContact O-CD 3.16Å; I615-L619 HydrophobicContact CG2-CD1 3.62Å; I615-L619 HydrophobicContact CG2-CG 4.14Å; I615-L619 WeakPolarHBondContact O-CB 3.45Å; I615-L619 WeakPolarHBondContact O-CG 3.33Å; I615-L619 PolarHBondContact O-N 3.01Å; I615-L619 VanDerWaalsContact O-N 3.12Å
616	M	74.4	Confident	72.5	Confident	104 Å²	104	92.4 Å²	92.4	51%	0.512	50%	0.502	S	S	.	.	H	α-helix	trans	-68.5	-36.2	-176.6	-171.6	154.9	56.5	0	0	112.8	I612 I620	I612-M616 HydrophobicContact CG2-CE 4.02Å; I612-M616 HydrophobicContact CG2-SD 4.46Å; I612-M616 WeakPolarHBondContact O-CB 3.24Å; I612-M616 PolarHBondContact O-N 3.23Å; M616-I620 HydrophobicContact CG-CD1 3.82Å; M616-I620 WeakPolarHBondContact O-CB 3.44Å; M616-I620 WeakPolarHBondContact O-CD1 3.32Å; M616-I620 WeakPolarHBondContact O-CG1 3.41Å; M616-I620 PolarHBondContact O-N 3.15Å
617	G	73.6	Confident	73.5	Confident	32 Å²	32	92.4 Å²	92.4	33%	0.33	50%	0.496	S	S	.	.	H	α-helix	trans	-61.2	-56.5	174.6	0	0	0	0	0	113.4	I615 L619 I620 I621	I615-G617 PolarHBondContact O-N 2.76Å; G617-L619 VanDerWaalsContact C-N 3.32Å; G617-L619 PolarHBondContact O-N 3.41Å; G617-I620 PolarHBondContact O-N 3.44Å; G617-I621 WeakPolarHBondContact O-CG1 3.38Å; G617-I621 PolarHBondContact O-N 2.98Å
618	P	82.5	Confident	74.3	Confident	78 Å²	78	89.9 Å²	89.9	51%	0.506	49%	0.489	S	S	.	.	H	α-helix	trans	-57.9	-39.5	176.5	-25.3	32.5	0	0	0	113.5	T614 I615 I621 L622	T614-P618 WeakPolarHBondContact O-CD 3.41Å; T614-P618 VanDerWaalsContact O-CG 3.29Å; T614-P618 WeakPolarHBondContact O-CG 3.37Å; I615-P618 WeakPolarHBondContact O-CD 3.16Å; P618-I621 PolarHBondContact O-N 3.22Å; P618-L622 WeakPolarHBondContact O-CB 3.38Å; P618-L622 PolarHBondContact O-N 3.19Å
619	L	77.7	Confident	75.3	Confident	103 Å²	103	87.4 Å²	87.4	54%	0.539	48%	0.484	S	S	.	.	H	α-helix	trans	-64.3	-42.8	177	-83	172	0	0	0	112.2	I615 G617 L622 L623	I615-L619 HydrophobicContact CG2-CD1 3.62Å; I615-L619 HydrophobicContact CG2-CG 4.14Å; I615-L619 WeakPolarHBondContact O-CB 3.45Å; I615-L619 WeakPolarHBondContact O-CG 3.33Å; I615-L619 PolarHBondContact O-N 3.01Å; I615-L619 VanDerWaalsContact O-N 3.12Å; G617-L619 VanDerWaalsContact C-N 3.32Å; G617-L619 PolarHBondContact O-N 3.41Å; L619-L622 PolarHBondContact O-N 3.34Å; L619-L623 WeakPolarHBondContact O-CB 3.36Å; L619-L623 PolarHBondContact O-N 3.13Å
620	I	80.3	Confident	76.2	Confident	93 Å²	93	88.5 Å²	88.5	48%	0.477	49%	0.492	S	S	.	.	H	α-helix	trans	-64.6	-42.5	176.4	-69.2	165.7	0	0	0	110.2	M616 G617 L623 L624	M616-I620 HydrophobicContact CG-CD1 3.82Å; M616-I620 WeakPolarHBondContact O-CB 3.44Å; M616-I620 WeakPolarHBondContact O-CD1 3.32Å; M616-I620 WeakPolarHBondContact O-CG1 3.41Å; M616-I620 PolarHBondContact O-N 3.15Å; G617-I620 PolarHBondContact O-N 3.44Å; I620-L623 PolarHBondContact O-N 3.07Å; I620-L624 HydrophobicContact CG2-CD1 3.98Å; I620-L624 HydrophobicContact CG2-CG 4.39Å; I620-L624 WeakPolarHBondContact O-CB 3.39Å; I620-L624 VanDerWaalsContact O-CG 3.22Å; I620-L624 WeakPolarHBondContact O-CG 3.41Å; I620-L624 PolarHBondContact O-N 3.01Å
621	I	80.8	Confident	76.5	Confident	102 Å²	102	88.9 Å²	88.9	52%	0.523	50%	0.497	S	S	.	.	H	α-helix	trans	-64.1	-44.3	177.6	-66.9	166.7	0	0	0	110.9	G617 P618 L623 L624 I625	G617-I621 WeakPolarHBondContact O-CG1 3.38Å; G617-I621 PolarHBondContact O-N 2.98Å; P618-I621 PolarHBondContact O-N 3.22Å; I621-L623 VanDerWaalsContact C-N 3.34Å; I621-L623 PolarHBondContact O-N 3.42Å; I621-L624 PolarHBondContact O-N 2.92Å; I621-I625 HydrophobicContact CG2-CD1 3.87Å; I621-I625 VanDerWaalsContact O-CG1 3.29Å; I621-I625 WeakPolarHBondContact O-CG1 3.48Å; I621-I625 PolarHBondContact O-N 2.72Å
622	L	83.7	Confident	76.9	Confident	102 Å²	102	89.6 Å²	89.6	53%	0.534	50%	0.5	S	S	.	.	H	α-helix	trans	-60.4	-44.2	175.9	-168.9	90	0	0	0	111.2	P618 L619 L624 I625 L626	P618-L622 WeakPolarHBondContact O-CB 3.38Å; P618-L622 PolarHBondContact O-N 3.19Å; L619-L622 PolarHBondContact O-N 3.34Å; L622-L624 PolarHBondContact O-N 3.25Å; L622-I625 PolarHBondContact O-N 2.88Å; L622-L626 HydrophobicContact CD2-CD1 4.35Å; L622-L626 HydrophobicContact CG-CD1 4.26Å; L622-L626 WeakPolarHBondContact O-CG 3.22Å; L622-L626 PolarHBondContact O-N 3.06Å
623	L	79.3	Confident	77.4	Confident	108 Å²	108	92 Å²	92	57%	0.565	51%	0.513	S	S	*	.	H	α-helix	trans	-63.8	-41.3	178.5	-154.4	105.7	0	0	0	111.4	L619 I620 I621 L626 L627	L619-L623 WeakPolarHBondContact O-CB 3.36Å; L619-L623 PolarHBondContact O-N 3.13Å; I620-L623 PolarHBondContact O-N 3.07Å; I621-L623 VanDerWaalsContact C-N 3.34Å; I621-L623 PolarHBondContact O-N 3.42Å; L623-L626 PolarHBondContact O-N 2.84Å; L623-L627 HydrophobicContact CD2-CD1 3.67Å; L623-L627 HydrophobicContact CG-CD1 4.04Å; L623-L627 WeakPolarHBondContact O-CB 3.42Å; L623-L627 WeakPolarHBondContact O-CD1 3.41Å; L623-L627 WeakPolarHBondContact O-CG 3.36Å; L623-L627 PolarHBondContact O-N 3.39Å
624	L	80.2	Confident	77.7	Confident	84 Å²	84	92.8 Å²	92.8	44%	0.44	51%	0.51	S	S	.	.	H	α-helix	trans	-64.3	-40.1	175.1	-71.8	172	0	0	0	111.8	I620 I621 L622 F628	I620-L624 HydrophobicContact CG2-CD1 3.98Å; I620-L624 HydrophobicContact CG2-CG 4.39Å; I620-L624 WeakPolarHBondContact O-CB 3.39Å; I620-L624 VanDerWaalsContact O-CG 3.22Å; I620-L624 WeakPolarHBondContact O-CG 3.41Å; I620-L624 PolarHBondContact O-N 3.01Å; I621-L624 PolarHBondContact O-N 2.92Å; L622-L624 PolarHBondContact O-N 3.25Å; L624-F628 HydrophobicContact CB-CD2 4.5Å; L624-F628 HydrophobicContact CD2-CD2 3.93Å; L624-F628 HydrophobicContact CD2-CE2 3.66Å; L624-F628 WeakPolarHBondContact O-CB 3.34Å; L624-F628 WeakPolarHBondContact O-CD2 3.44Å; L624-F628 PolarHBondContact O-N 3.26Å
625	I	83	Confident	77.9	Confident	106 Å²	106	98 Å²	98	54%	0.544	52%	0.519	S	S	.	.	H	α-helix	trans	-66.4	-41.4	176.3	-67.9	166.3	0	0	0	111	I621 L622 G629	I621-I625 HydrophobicContact CG2-CD1 3.87Å; I621-I625 VanDerWaalsContact O-CG1 3.29Å; I621-I625 WeakPolarHBondContact O-CG1 3.48Å; I621-I625 PolarHBondContact O-N 2.72Å; L622-I625 PolarHBondContact O-N 2.88Å; I625-G629 WeakPolarHBondContact O-CA 3.08Å; I625-G629 PolarHBondContact O-N 3.31Å
626	L	81.6	Confident	77.8	Confident	122 Å²	122	98.2 Å²	98.2	64%	0.639	52%	0.521	S	S	*	.	H	α-helix	trans	-68.5	-37.8	178.5	-71.7	170.2	0	0	0	112.5	L622 L623 P630	L622-L626 HydrophobicContact CD2-CD1 4.35Å; L622-L626 HydrophobicContact CG-CD1 4.26Å; L622-L626 WeakPolarHBondContact O-CG 3.22Å; L622-L626 PolarHBondContact O-N 3.06Å; L623-L626 PolarHBondContact O-N 2.84Å; L626-P630 VanDerWaalsContact O-CD 3.29Å; L626-P630 WeakPolarHBondContact O-CD 3.43Å
627	L	77.8	Confident	77.8	Confident	107 Å²	107	96.7 Å²	96.7	56%	0.56	52%	0.517	S	S	*	.	H	α-helix	trans	-75.1	-43.5	179	-76.7	162.7	0	0	0	112.8	L623	L623-L627 HydrophobicContact CD2-CD1 3.67Å; L623-L627 HydrophobicContact CG-CD1 4.04Å; L623-L627 WeakPolarHBondContact O-CB 3.42Å; L623-L627 WeakPolarHBondContact O-CD1 3.41Å; L623-L627 WeakPolarHBondContact O-CG 3.36Å; L623-L627 PolarHBondContact O-N 3.39Å
628	F	80.1	Confident	77.5	Confident	114 Å²	114	100.8 Å²	100.8	50%	0.5	53%	0.527	S	S	.	.	H	α-helix	trans	-103.8	-22.5	-171.5	-64.9	-76.4	0	0	0	114.1	L624 C631 I632	L624-F628 HydrophobicContact CB-CD2 4.5Å; L624-F628 HydrophobicContact CD2-CD2 3.93Å; L624-F628 HydrophobicContact CD2-CE2 3.66Å; L624-F628 WeakPolarHBondContact O-CB 3.34Å; L624-F628 WeakPolarHBondContact O-CD2 3.44Å; L624-F628 PolarHBondContact O-N 3.26Å; F628-C631 PolarHBondContact O-N 3.47Å; F628-I632 HydrophobicContact CB-CD1 4.07Å; F628-I632 VanDerWaalsContact O-CG1 3.25Å; F628-I632 WeakPolarHBondContact O-CG1 3.49Å; F628-I632 PolarHBondContact O-N 2.87Å
629	G	77.3	Confident	77	Confident	19 Å²	19	102.6 Å²	102.6	20%	0.196	53%	0.527	C	S	.	.	H	α-helix	trans	-57	-49.6	-179.4	0	0	0	0	0	113.9	I625 C631 I632 L633	I625-G629 WeakPolarHBondContact O-CA 3.08Å; I625-G629 PolarHBondContact O-N 3.31Å; G629-C631 VanDerWaalsContact C-N 3.31Å; G629-C631 PolarHBondContact O-N 3.04Å; G629-I632 PolarHBondContact O-N 3.38Å; G629-L633 WeakPolarHBondContact O-CB 3.14Å; G629-L633 WeakPolarHBondContact O-CG 3.43Å; G629-L633 PolarHBondContact O-N 2.88Å
630	P	79.9	Confident	76.8	Confident	83 Å²	83	102 Å²	102	54%	0.539	52%	0.524	S	S	.	.	H	α-helix	trans	-62.2	-37.7	177.4	-22.5	33.2	0	0	0	112.6	L626 N634	L626-P630 VanDerWaalsContact O-CD 3.29Å; L626-P630 WeakPolarHBondContact O-CD 3.43Å; P630-N634 VanDerWaalsContact O-CB 3.26Å; P630-N634 WeakPolarHBondContact O-CB 3.36Å; P630-N634 PolarHBondContact O-N 3.26Å; P630-N634 VanDerWaalsContact O-N 3.07Å
631	C	72	Confident	76	Confident	87 Å²	87	104.3 Å²	104.3	59%	0.588	53%	0.531	S	S	*	.	H	α-helix	trans	-67.6	-42.8	177.5	-81.5	0	0	0	0	112.3	F628 G629 R635	F628-C631 PolarHBondContact O-N 3.47Å; G629-C631 VanDerWaalsContact C-N 3.31Å; G629-C631 PolarHBondContact O-N 3.04Å; C631-R635 WeakPolarHBondContact O-CB 3.39Å; C631-R635 PolarHBondContact O-N 3.33Å; C631-R635 VanDerWaalsContact O-N 3.13Å
632	I	75.9	Confident	75.2	Confident	100 Å²	100	104 Å²	104	51%	0.513	53%	0.53	S	S	.	.	H	α-helix	trans	-68.1	-45.6	-179.1	-68.1	164.9	0	0	0	110.5	F628 G629 R635 L636	F628-I632 HydrophobicContact CB-CD1 4.07Å; F628-I632 VanDerWaalsContact O-CG1 3.25Å; F628-I632 WeakPolarHBondContact O-CG1 3.49Å; F628-I632 PolarHBondContact O-N 2.87Å; G629-I632 PolarHBondContact O-N 3.38Å; I632-R635 PolarHBondContact O-N 3.37Å; I632-L636 HydrophobicContact CG2-CD1 4.22Å; I632-L636 WeakPolarHBondContact O-CB 3.36Å; I632-L636 PolarHBondContact O-N 2.98Å
633	L	75.3	Confident	74.1	Confident	116 Å²	116	106.7 Å²	106.7	61%	0.607	53%	0.533	S	S	*	.	H	α-helix	trans	-64.1	-43.2	178.7	-71.9	170.5	0	0	0	111.8	G629 R635 L636 V637	G629-L633 WeakPolarHBondContact O-CB 3.14Å; G629-L633 WeakPolarHBondContact O-CG 3.43Å; G629-L633 PolarHBondContact O-N 2.88Å; L633-R635 VanDerWaalsContact C-N 3.29Å; L633-R635 PolarHBondContact O-N 2.91Å; L633-L636 PolarHBondContact O-N 3.46Å; L633-V637 WeakPolarHBondContact O-CG2 3.25Å; L633-V637 PolarHBondContact O-N 3.33Å
634	N	72.4	Confident	73.4	Confident	107 Å²	107	106 Å²	106	57%	0.572	53%	0.529	S	S	*	.	H	α-helix	trans	-64	-37.2	178.8	-157.8	18.1	0	0	0	111.6	P630 Q638	P630-N634 VanDerWaalsContact O-CB 3.26Å; P630-N634 WeakPolarHBondContact O-CB 3.36Å; P630-N634 PolarHBondContact O-N 3.26Å; P630-N634 VanDerWaalsContact O-N 3.07Å; N634-Q638 VanDerWaalsContact O-CG 3.22Å; N634-Q638 WeakPolarHBondContact O-CG 3.39Å; N634-Q638 PolarHBondContact O-N 3.32Å
635	R	73.5	Confident	72.5	Confident	207 Å²	207	104.9 Å²	104.9	78%	0.781	53%	0.528	S	S	*	.	H	α-helix	trans	-71.1	-35.5	176.6	-151.9	177.6	-170.2	-166.8	2.7	112.8	C631 I632 L633 F639	C631-R635 WeakPolarHBondContact O-CB 3.39Å; C631-R635 PolarHBondContact O-N 3.33Å; C631-R635 VanDerWaalsContact O-N 3.13Å; I632-R635 PolarHBondContact O-N 3.37Å; L633-R635 VanDerWaalsContact C-N 3.29Å; L633-R635 PolarHBondContact O-N 2.91Å; R635-F639 WeakPolarHBondContact O-CB 3.44Å; R635-F639 PolarHBondContact O-N 3.15Å
636	L	72.7	Confident	71.4	Confident	89 Å²	89	103.6 Å²	103.6	47%	0.466	53%	0.525	S	S	.	.	H	α-helix	trans	-67.2	-42.6	173.6	-104.4	159	0	0	0	112	I632 L633 Q638 F639 I640	I632-L636 HydrophobicContact CG2-CD1 4.22Å; I632-L636 WeakPolarHBondContact O-CB 3.36Å; I632-L636 PolarHBondContact O-N 2.98Å; L633-L636 PolarHBondContact O-N 3.46Å; L636-Q638 VanDerWaalsContact C-N 3.35Å; L636-F639 PolarHBondContact O-N 3.44Å; L636-I640 WeakPolarHBondContact O-CG1 3.48Å; L636-I640 PolarHBondContact O-N 3.03Å
637	V	73.7	Confident	70.5	Confident	71 Å²	71	102.2 Å²	102.2	43%	0.43	52%	0.521	S	S	.	.	H	α-helix	trans	-64.1	-40.7	176.3	171.9	0	0	0	0	111.1	L633 I640 K641	L633-V637 WeakPolarHBondContact O-CG2 3.25Å; L633-V637 PolarHBondContact O-N 3.33Å; V637-I640 PolarHBondContact O-N 3.2Å; V637-K641 HydrophobicContact CG1-CD 4.39Å; V637-K641 WeakPolarHBondContact O-CG 2.93Å; V637-K641 PolarHBondContact O-N 3.1Å
638	Q	67.3	Low	69.5	Low	119 Å²	119	103.2 Å²	103.2	56%	0.556	52%	0.523	S	S	*	.	H	α-helix	trans	-60.6	-45.9	172.6	-72.1	-113.2	-27.6	0	0	111.4	N634 L636 I640 K641 D642	N634-Q638 VanDerWaalsContact O-CG 3.22Å; N634-Q638 WeakPolarHBondContact O-CG 3.39Å; N634-Q638 PolarHBondContact O-N 3.32Å; L636-Q638 VanDerWaalsContact C-N 3.35Å; Q638-I640 PolarHBondContact O-N 3.42Å; Q638-K641 PolarHBondContact O-N 2.93Å; Q638-D642 PolarHBondContact O-N 2.76Å
639	F	72.9	Confident	68.5	Low	115 Å²	115	100.5 Å²	100.5	50%	0.504	52%	0.522	S	S	.	.	H	α-helix	trans	-62.9	-38.5	178.6	-172.4	-96.8	0	0	0	113.3	R635 L636 R643	R635-F639 WeakPolarHBondContact O-CB 3.44Å; R635-F639 PolarHBondContact O-N 3.15Å; L636-F639 PolarHBondContact O-N 3.44Å; F639-R643 HydrophobicContact CD1-CG 4.4Å; F639-R643 HydrophobicContact CE1-CG 4.13Å; F639-R643 HydrophobicContact CZ-CG 4.45Å; F639-R643 WeakPolarHBondContact O-CG 3.4Å; F639-R643 PolarHBondContact O-N 3.41Å; F639-R643 VanDerWaalsContact O-N 3.15Å
640	I	72.3	Confident	67.8	Low	92 Å²	92	104.7 Å²	104.7	47%	0.472	54%	0.539	S	S	.	.	H	α-helix	trans	-69.7	-40.2	176.8	-66.7	167.6	0	0	0	110.7	L636 V637 Q638 D642 R643 I644	L636-I640 WeakPolarHBondContact O-CG1 3.48Å; L636-I640 PolarHBondContact O-N 3.03Å; V637-I640 PolarHBondContact O-N 3.2Å; Q638-I640 PolarHBondContact O-N 3.42Å; I640-D642 VanDerWaalsContact C-N 3.35Å; I640-D642 PolarHBondContact O-N 3.41Å; I640-R643 PolarHBondContact O-N 3.25Å; I640-I644 HydrophobicContact CG2-CD1 3.85Å; I640-I644 WeakPolarHBondContact O-CG1 3.27Å; I640-I644 PolarHBondContact O-N 3.49Å
641	K	64	Low	67.1	Low	141 Å²	141	104.6 Å²	104.6	61%	0.613	54%	0.537	S	S	*	.	H	α-helix	trans	-62.1	-41.1	174.9	-76.6	-177.5	177.2	-175.8	0	112.1	V637 Q638 R643 I644 S645	V637-K641 HydrophobicContact CG1-CD 4.39Å; V637-K641 WeakPolarHBondContact O-CG 2.93Å; V637-K641 PolarHBondContact O-N 3.1Å; Q638-K641 PolarHBondContact O-N 2.93Å; K641-R643 VanDerWaalsContact C-N 3.31Å; K641-R643 PolarHBondContact O-N 3.02Å; K641-I644 PolarHBondContact O-N 2.98Å; K641-S645 PolarHBondContact O-N 3.32Å; K641-S645 PolarHBondContact O-OG 2.03Å
642	D	64.2	Low	66.6	Low	95 Å²	95	106 Å²	106	51%	0.508	54%	0.538	S	S	.	.	H	α-helix	trans	-67.5	-30.1	177.6	-70.9	-17.6	0	0	0	112.8	Q638 I640 S645 V646	Q638-D642 PolarHBondContact O-N 2.76Å; I640-D642 VanDerWaalsContact C-N 3.35Å; I640-D642 PolarHBondContact O-N 3.41Å; D642-S645 PolarHBondContact O-OG 3.21Å; D642-S645 VanDerWaalsContact O-OG 3.13Å; D642-V646 WeakPolarHBondContact O-CG2 3.46Å; D642-V646 PolarHBondContact O-N 3Å
643	R	60.3	Low	65.9	Low	158 Å²	158	105 Å²	105	60%	0.596	54%	0.536	S	S	*	.	H	α-helix	trans	-77.3	-34	175.7	-70	-69.1	-178.6	-179.8	-0.6	112.5	F639 I640 K641 V647	F639-R643 HydrophobicContact CD1-CG 4.4Å; F639-R643 HydrophobicContact CE1-CG 4.13Å; F639-R643 HydrophobicContact CZ-CG 4.45Å; F639-R643 WeakPolarHBondContact O-CG 3.4Å; F639-R643 PolarHBondContact O-N 3.41Å; F639-R643 VanDerWaalsContact O-N 3.15Å; I640-R643 PolarHBondContact O-N 3.25Å; K641-R643 VanDerWaalsContact C-N 3.31Å; K641-R643 PolarHBondContact O-N 3.02Å; R643-V647 WeakPolarHBondContact O-CG2 3.44Å; R643-V647 PolarHBondContact O-N 3.42Å
644	I	65.8	Low	65.2	Low	95 Å²	95	105.9 Å²	105.9	49%	0.487	54%	0.538	S	S	.	.	H	α-helix	trans	-73.9	-39.7	178	-67	170.4	0	0	0	111.4	I640 K641 V646 V647 Q648	I640-I644 HydrophobicContact CG2-CD1 3.85Å; I640-I644 WeakPolarHBondContact O-CG1 3.27Å; I640-I644 PolarHBondContact O-N 3.49Å; K641-I644 PolarHBondContact O-N 2.98Å; I644-V646 VanDerWaalsContact C-N 3.33Å; I644-V646 PolarHBondContact O-N 3.34Å; I644-V647 PolarHBondContact O-N 2.89Å; I644-Q648 PolarHBondContact O-N 3.22Å
645	S	60	Low	64.7	Low	59 Å²	59	106.6 Å²	106.6	41%	0.413	54%	0.538	S	S	.	.	H	α-helix	trans	-64.7	-36.1	178.2	62	0	0	0	0	112.5	K641 D642 Q648 A649	K641-S645 PolarHBondContact O-N 3.32Å; K641-S645 PolarHBondContact O-OG 2.03Å; D642-S645 PolarHBondContact O-OG 3.21Å; D642-S645 VanDerWaalsContact O-OG 3.13Å; S645-Q648 PolarHBondContact O-N 3.3Å; S645-A649 WeakPolarHBondContact O-CB 3.31Å; S645-A649 PolarHBondContact O-N 2.91Å
646	V	61.5	Low	64	Low	80 Å²	80	105.2 Å²	105.2	49%	0.485	53%	0.533	S	S	.	.	H	α-helix	trans	-67.7	-36	175.3	172.2	0	0	0	0	112	D642 I644 L650	D642-V646 WeakPolarHBondContact O-CG2 3.46Å; D642-V646 PolarHBondContact O-N 3Å; I644-V646 VanDerWaalsContact C-N 3.33Å; I644-V646 PolarHBondContact O-N 3.34Å; V646-L650 HydrophobicContact CG1-CD1 4.2Å; V646-L650 WeakPolarHBondContact O-CB 3.48Å; V646-L650 PolarHBondContact O-N 2.76Å; V646-L650 VanDerWaalsContact O-N 3.1Å
647	V	61.9	Low	63.3	Low	92 Å²	92	106.9 Å²	106.9	56%	0.558	54%	0.539	S	S	*	.	H	α-helix	trans	-70.9	-41.8	176.3	174.4	0	0	0	0	111.2	R643 I644 A649 L650 V651	R643-V647 WeakPolarHBondContact O-CG2 3.44Å; R643-V647 PolarHBondContact O-N 3.42Å; I644-V647 PolarHBondContact O-N 2.89Å; V647-A649 PolarHBondContact O-N 3.45Å; V647-L650 PolarHBondContact O-N 3.14Å; V647-V651 WeakPolarHBondContact O-CG2 3.02Å; V647-V651 PolarHBondContact O-N 3.46Å; V647-V651 VanDerWaalsContact O-N 3.07Å
648	Q	56.2	Low	62.6	Low	128 Å²	128	109 Å²	109	60%	0.598	54%	0.544	S	S	*	.	H	α-helix	trans	-63.9	-39.2	175.1	-80.2	-178.7	-32.8	0	0	112.5	I644 S645 V651 L652	I644-Q648 PolarHBondContact O-N 3.22Å; S645-Q648 PolarHBondContact O-N 3.3Å; Q648-V651 PolarHBondContact O-N 2.79Å; Q648-L652 PolarHBondContact O-N 2.78Å; Q648-L652 VanDerWaalsContact O-N 3.07Å
649	A	60.5	Low	62.2	Low	58 Å²	58	108.4 Å²	108.4	48%	0.479	54%	0.544	S	S	.	.	H	α-helix	trans	-67	-36.9	176.9	0	0	0	0	0	113	S645 V647 T653	S645-A649 WeakPolarHBondContact O-CB 3.31Å; S645-A649 PolarHBondContact O-N 2.91Å; V647-A649 PolarHBondContact O-N 3.45Å; A649-T653 PolarHBondContact O-N 3.24Å; A649-T653 PolarHBondContact O-OG1 2.79Å
650	L	60.8	Low	61.5	Low	106 Å²	106	108.5 Å²	108.5	56%	0.555	54%	0.544	S	S	*	.	H	α-helix	trans	-67.7	-39.2	175.1	-101.9	151.9	0	0	0	112.5	V646 V647 T653 Q654	V646-L650 HydrophobicContact CG1-CD1 4.2Å; V646-L650 WeakPolarHBondContact O-CB 3.48Å; V646-L650 PolarHBondContact O-N 2.76Å; V646-L650 VanDerWaalsContact O-N 3.1Å; V647-L650 PolarHBondContact O-N 3.14Å; L650-T653 WeakPolarHBondContact CA-OG1 3.35Å; L650-T653 PolarHBondContact O-OG1 3.35Å; L650-Q654 PolarHBondContact O-N 2.88Å; L650-Q654 VanDerWaalsContact O-N 3.12Å
651	V	65.3	Low	60.8	Low	81 Å²	81	108.6 Å²	108.6	49%	0.491	55%	0.545	S	S	.	.	H	α-helix	trans	-67.9	-39.9	176.4	172.9	0	0	0	0	111.4	V647 Q648 Q654 Q655	V647-V651 WeakPolarHBondContact O-CG2 3.02Å; V647-V651 PolarHBondContact O-N 3.46Å; V647-V651 VanDerWaalsContact O-N 3.07Å; Q648-V651 PolarHBondContact O-N 2.79Å; V651-Q654 PolarHBondContact O-N 3.08Å; V651-Q655 PolarHBondContact O-N 3.42Å; V651-Q655 VanDerWaalsContact O-N 3.14Å
652	L	61.8	Low	60.5	Low	116 Å²	116	107 Å²	107	61%	0.607	54%	0.542	S	S	*	.	H	α-helix	trans	-67.6	-39.6	176.2	-93	151.7	0	0	0	113.1	Q648 Q654 Q655 Y656	Q648-L652 PolarHBondContact O-N 2.78Å; Q648-L652 VanDerWaalsContact O-N 3.07Å; L652-Q654 VanDerWaalsContact C-N 3.31Å; L652-Q654 PolarHBondContact O-N 3.46Å; L652-Q655 PolarHBondContact O-N 2Å; L652-Y656 PolarHBondContact O-N 3.28Å
653	T	61.5	Low	60.2	Low	79 Å²	79	109.3 Å²	109.3	49%	0.485	55%	0.549	S	S	.	.	H	α-helix	trans	-67.8	-31.8	175.5	30.7	0	0	0	0	112.4	A649 L650 Y656 H657	A649-T653 PolarHBondContact O-N 3.24Å; A649-T653 PolarHBondContact O-OG1 2.79Å; L650-T653 WeakPolarHBondContact CA-OG1 3.35Å; L650-T653 PolarHBondContact O-OG1 3.35Å; T653-Y656 PolarHBondContact O-N 3.15Å; T653-H657 PolarHBondContact O-N 3.15Å
654	Q	61.5	Low	59.9	Low	136 Å²	136	106.4 Å²	106.4	64%	0.636	55%	0.546	S	S	*	.	H	α-helix	trans	-69.3	-38	174	-168.9	141.1	-18.1	0	0	112.5	L650 V651 L652 Q658	L650-Q654 PolarHBondContact O-N 2.88Å; L650-Q654 VanDerWaalsContact O-N 3.12Å; V651-Q654 PolarHBondContact O-N 3.08Å; L652-Q654 VanDerWaalsContact C-N 3.31Å; L652-Q654 PolarHBondContact O-N 3.46Å; Q654-Q658 WeakPolarHBondContact O-CG 3.43Å; Q654-Q658 PolarHBondContact O-N 2.82Å
655	Q	60.1	Low	59.3	Low	122 Å²	122	106.1 Å²	106.1	57%	0.57	55%	0.551	S	S	*	*	H	α-helix	trans	-67.8	-37.7	173.7	-72.9	-173.7	-22.8	0	0	112.5	V651 L652 Q658 L659	V651-Q655 PolarHBondContact O-N 3.42Å; V651-Q655 VanDerWaalsContact O-N 3.14Å; L652-Q655 PolarHBondContact O-N 2Å; Q655-Q658 PolarHBondContact O-N 3.18Å; Q655-L659 PolarHBondContact O-N 2.72Å; Q655-L659 VanDerWaalsContact O-N 3.16Å
656	Y	59.2	Low	59	Low	177 Å²	177	111.9 Å²	111.9	69%	0.694	57%	0.569	S	S	*	*	H	α-helix	trans	-69.6	-35	177.4	-148.2	-94	0	0	0	112.5	L652 T653 L659 K660	L652-Y656 PolarHBondContact O-N 3.28Å; T653-Y656 PolarHBondContact O-N 3.15Å; Y656-L659 PolarHBondContact O-N 3.05Å; Y656-K660 PolarHBondContact O-N 2.85Å
657	H	58	Low	58.6	Low	125 Å²	125	112.4 Å²	112.4	58%	0.579	58%	0.576	S	S	*	*	H	α-helix	trans	-66.9	-35.5	173.2	-99.4	-66	0	0	0	113.1	T653 I661	T653-H657 PolarHBondContact O-N 3.15Å; H657-I661 WeakPolarHBondContact O-CD1 3.42Å; H657-I661 VanDerWaalsContact O-CG1 3.28Å; H657-I661 WeakPolarHBondContact O-CG1 3.25Å; H657-I661 PolarHBondContact O-N 2.05Å
658	Q	60	Low	58.2	Low	114 Å²	114	118.9 Å²	118.9	53%	0.533	59%	0.59	S	S	.	*	H	α-helix	trans	-66.3	-39.8	174.2	-73.9	-69	-40	0	0	111.9	Q654 Q655 I661 I662	Q654-Q658 WeakPolarHBondContact O-CG 3.43Å; Q654-Q658 PolarHBondContact O-N 2.82Å; Q655-Q658 PolarHBondContact O-N 3.18Å; Q658-I661 PolarHBondContact O-N 3.4Å; Q658-I662 WeakPolarHBondContact O-CD1 3.44Å; Q658-I662 WeakPolarHBondContact O-CG1 3.06Å; Q658-I662 PolarHBondContact O-N 3.43Å
659	L	59	Low	57.8	Low	108 Å²	108	124.7 Å²	124.7	57%	0.565	62%	0.618	S	S	*	*	H	α-helix	trans	-66.9	-39.4	175.8	-82.2	156.9	0	0	0	112.9	Q655 Y656 I661 I662 E663	Q655-L659 PolarHBondContact O-N 2.72Å; Q655-L659 VanDerWaalsContact O-N 3.16Å; Y656-L659 PolarHBondContact O-N 3.05Å; L659-I661 VanDerWaalsContact C-N 3.35Å; L659-I661 PolarHBondContact O-N 2.92Å; L659-I662 PolarHBondContact O-N 2.91Å; L659-E663 PolarHBondContact O-N 2.97Å
660	K	56.7	Low	57.6	Low	117 Å²	117	128 Å²	128	51%	0.509	63%	0.625	S	S	.	*	H	α-helix	trans	-65.6	-35	177.9	-167.1	170	-176.3	174.6	0	113.1	Y656 I662 E663 D664	Y656-K660 PolarHBondContact O-N 2.85Å; K660-I662 VanDerWaalsContact C-N 3.3Å; K660-I662 PolarHBondContact O-N 3.2Å; K660-E663 PolarHBondContact O-N 2.98Å; K660-D664 WeakPolarHBondContact O-CB 3.08Å; K660-D664 PolarHBondContact O-N 3.44Å
661	I	57.9	Low	57.5	Low	94 Å²	94	129.2 Å²	129.2	48%	0.482	63%	0.628	S	S	.	*	H	α-helix	trans	-67.5	-33	175	-67.5	166.7	0	0	0	111.1	H657 Q658 L659 C665	H657-I661 WeakPolarHBondContact O-CD1 3.42Å; H657-I661 VanDerWaalsContact O-CG1 3.28Å; H657-I661 WeakPolarHBondContact O-CG1 3.25Å; H657-I661 PolarHBondContact O-N 2.05Å; Q658-I661 PolarHBondContact O-N 3.4Å; L659-I661 VanDerWaalsContact C-N 3.35Å; L659-I661 PolarHBondContact O-N 2.92Å; I661-C665 PolarHBondContact O-N 3.35Å; I661-C665 PolarHBondContact O-SG 2.66Å
662	I	58.6	Low	57	Low	106 Å²	106	131.8 Å²	131.8	54%	0.544	64%	0.636	S	S	.	*	H	α-helix	trans	-74.7	-37.7	177.4	-65.4	165.6	0	0	0	111.3	Q658 L659 K660 K666	Q658-I662 WeakPolarHBondContact O-CD1 3.44Å; Q658-I662 WeakPolarHBondContact O-CG1 3.06Å; Q658-I662 PolarHBondContact O-N 3.43Å; L659-I662 PolarHBondContact O-N 2.91Å; K660-I662 VanDerWaalsContact C-N 3.3Å; K660-I662 PolarHBondContact O-N 3.2Å; I662-K666 PolarHBondContact O-N 3.24Å
663	E	56.7	Low	56.7	Low	144 Å²	144	132.8 Å²	132.8	67%	0.673	64%	0.638	S	S	*	*	H	α-helix	trans	-68.9	-39.5	173.8	-88	-178.4	150.4	0	0	112.9	L659 K660 C665 K666 S667	L659-E663 PolarHBondContact O-N 2.97Å; K660-E663 PolarHBondContact O-N 2.98Å; E663-C665 VanDerWaalsContact C-N 3.31Å; E663-C665 PolarHBondContact O-N 2.96Å; E663-K666 PolarHBondContact O-N 3.37Å; E663-K666 VanDerWaalsContact O-N 3.16Å; E663-S667 PolarHBondContact O-N 2.98Å
664	D	54	Low	56.4	Low	98 Å²	98	136.1 Å²	136.1	52%	0.524	65%	0.647	S	S	.	*	H	α-helix	trans	-68	-29.2	177.3	-80.9	-19.4	0	0	0	112.4	K660 S667	K660-D664 WeakPolarHBondContact O-CB 3.08Å; K660-D664 PolarHBondContact O-N 3.44Å; D664-S667 PolarHBondContact O-OG 3.03Å
665	C	53.8	Low	56.1	Low	89 Å²	89	136.1 Å²	136.1	60%	0.601	65%	0.648	S	S	*	*	H	α-helix	trans	-74.1	-24.7	172.5	-70.2	0	0	0	0	113.3	I661 E663	I661-C665 PolarHBondContact O-N 3.35Å; I661-C665 PolarHBondContact O-SG 2.66Å; E663-C665 VanDerWaalsContact C-N 3.31Å; E663-C665 PolarHBondContact O-N 2.96Å
666	K	54.2	Low	55.8	Low	180 Å²	180	137.1 Å²	137.1	78%	0.783	65%	0.653	S	S	*	*	H	α-helix	trans	-85.8	-10.7	-178.9	-161.9	170.7	-177.6	178.2	0	113.8	I662 E663	I662-K666 PolarHBondContact O-N 3.24Å; E663-K666 PolarHBondContact O-N 3.37Å; E663-K666 VanDerWaalsContact O-N 3.16Å
667	S	53.1	Low	55.6	Low	91 Å²	91	134.1 Å²	134.1	64%	0.636	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	6.4	178	70.4	0	0	0	0	114.3	E663 D664	E663-S667 PolarHBondContact O-N 2.98Å; D664-S667 PolarHBondContact O-OG 3.03Å
668	R	54.3	Low	55.4	Low	227 Å²	227	134.8 Å²	134.8	86%	0.857	66%	0.656	S	S	*	*			trans	-130.3	24.2	-175	-136	-175.5	-79.3	-163.3	-2.3	114.2
669	E	46.2	Very low	54.9	Low	250 Å²	250	136.7 Å²	136.7	100%	1.168	67%	0.667	S	S	*	*			trans	-115.7	0	164.1	-79.4	-173.2	156.3	0	0	110.9

Retrieved 669 of 669 residues in 1096.9 ms (Link to these results)

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