A0A077YY03_TRITR Loading...

PAN 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YY03, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 791 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	43	Very low	50.5	Low	252 Å²	252	127.7 Å²	127.7	100%	1.241	67%	0.668	S	S	*	*				0	38.6	0	-67.6	-171.7	179.3	0	0	112.5
2	G	46.3	Very low	49.9	Very low	54 Å²	54	130.7 Å²	130.7	56%	0.557	67%	0.672	S	S	*	*			trans	-104.9	2.3	-172.6	0	0	0	0	0	116.1
3	F	47.7	Very low	49.4	Very low	195 Å²	195	129.3 Å²	129.3	86%	0.855	67%	0.666	S	S	*	*	S	Bend	trans	-97	-10.1	-171.1	-99.1	-89.6	0	0	0	115.3
4	Q	49.8	Very low	48.7	Very low	180 Å²	180	129.4 Å²	129.4	84%	0.841	67%	0.667	S	S	*	*	H	α-helix	trans	-90.9	-14.3	179	-74.5	-146.9	-29.4	0	0	114.7
5	M	52.7	Low	47.9	Very low	142 Å²	142	128.4 Å²	128.4	70%	0.7	67%	0.674	S	S	*	*	H	α-helix	trans	-82.1	-25.7	-180	-137.6	177.2	98.9	0	0	113.1	I9	M5-I9 HydrophobicContact CE-CD1 4.28Å; M5-I9 WeakPolarHBondContact O-CG1 3.34Å
6	Y	50.2	Low	47.1	Very low	177 Å²	177	126.7 Å²	126.7	69%	0.694	68%	0.676	S	S	*	*	H	α-helix	trans	-75.9	-31.7	179.6	-86.7	-81.8	0	0	0	113.3	S10	Y6-S10 PolarHBondContact O-N 3.12Å; Y6-S10 VanDerWaalsContact O-N 3.09Å; Y6-S10 PolarHBondContact O-OG 3.46Å; Y6-S10 VanDerWaalsContact O-OG 3.13Å
7	V	58.9	Low	46.4	Very low	89 Å²	89	127.7 Å²	127.7	54%	0.539	68%	0.676	S	S	.	*	H	α-helix	trans	-72	-34.5	-179.1	-177.9	0	0	0	0	111.7	L11	V7-L11 HydrophobicContact CG1-CD1 3.83Å; V7-L11 WeakPolarHBondContact O-CD1 3.45Å; V7-L11 PolarHBondContact O-N 2.66Å
8	A	51.8	Low	45.5	Very low	56 Å²	56	129.3 Å²	129.3	46%	0.463	68%	0.679	S	S	.	*	H	α-helix	trans	-70.6	-36.5	177.4	0	0	0	0	0	112.7	F12	A8-F12 PolarHBondContact O-N 3.4Å; A8-F12 VanDerWaalsContact O-N 3.11Å
9	I	57.9	Low	44.7	Very low	88 Å²	88	129.5 Å²	129.5	45%	0.451	69%	0.686	S	S	.	*	H	α-helix	trans	-72.7	-37.2	178	-65.1	170.9	0	0	0	110.5	M5 F12 L13	M5-I9 HydrophobicContact CE-CD1 4.28Å; M5-I9 WeakPolarHBondContact O-CG1 3.34Å; I9-F12 PolarHBondContact O-N 2.99Å; I9-L13 HydrophobicContact CG2-CD1 3.85Å; I9-L13 PolarHBondContact O-N 3.47Å
10	S	52.5	Low	43.9	Very low	61 Å²	61	126.6 Å²	126.6	43%	0.427	68%	0.676	S	S	.	*	H	α-helix	trans	-67.2	-36.6	174	-62.9	0	0	0	0	113	Y6 L13 L14	Y6-S10 PolarHBondContact O-N 3.12Å; Y6-S10 VanDerWaalsContact O-N 3.09Å; Y6-S10 PolarHBondContact O-OG 3.46Å; Y6-S10 VanDerWaalsContact O-OG 3.13Å; S10-L13 PolarHBondContact O-N 3.41Å; S10-L14 WeakPolarHBondContact O-CB 3.4Å; S10-L14 WeakPolarHBondContact O-CD1 3.45Å; S10-L14 WeakPolarHBondContact O-CG 3.43Å; S10-L14 PolarHBondContact O-N 3.19Å
11	L	44.3	Very low	43.3	Very low	111 Å²	111	126.3 Å²	126.3	58%	0.581	68%	0.68	S	S	*	*	H	α-helix	trans	-71.4	-32.1	175.4	-99.5	117.9	0	0	0	113.3	V7 C15	V7-L11 HydrophobicContact CG1-CD1 3.83Å; V7-L11 WeakPolarHBondContact O-CD1 3.45Å; V7-L11 PolarHBondContact O-N 2.66Å; L11-C15 PolarHBondContact O-N 3.24Å
12	F	43.4	Very low	42.7	Very low	163 Å²	163	122.2 Å²	122.2	72%	0.715	66%	0.657	S	S	*	*	H	α-helix	trans	-72.3	-33.9	172.9	-97.2	-84.9	0	0	0	112.8	A8 I9	A8-F12 PolarHBondContact O-N 3.4Å; A8-F12 VanDerWaalsContact O-N 3.11Å; I9-F12 PolarHBondContact O-N 2.99Å
13	L	43.7	Very low	42.3	Very low	113 Å²	113	122.4 Å²	122.4	59%	0.592	66%	0.659	S	S	*	*	H	α-helix	trans	-73.6	-33	174.2	-85.7	150.8	0	0	0	113	I9 S10 S16	I9-L13 HydrophobicContact CG2-CD1 3.85Å; I9-L13 PolarHBondContact O-N 3.47Å; S10-L13 PolarHBondContact O-N 3.41Å; L13-S16 PolarHBondContact O-N 2.92Å
14	L	40.1	Very low	42.1	Very low	131 Å²	131	118.5 Å²	118.5	69%	0.686	65%	0.647	S	S	*	*	H	α-helix	trans	-78	-16.7	176.8	-77.9	157.7	0	0	0	113.7	S10	S10-L14 WeakPolarHBondContact O-CB 3.4Å; S10-L14 WeakPolarHBondContact O-CD1 3.45Å; S10-L14 WeakPolarHBondContact O-CG 3.43Å; S10-L14 PolarHBondContact O-N 3.19Å
15	C	35.8	Very low	42.3	Very low	114 Å²	114	118.8 Å²	118.8	77%	0.77	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-2.6	171.6	-89.3	0	0	0	0	114.2	L11	L11-C15 PolarHBondContact O-N 3.24Å
16	S	35.2	Very low	42.9	Very low	101 Å²	101	112.7 Å²	112.7	71%	0.706	62%	0.617	S	S	*	*	S	Bend	trans	-114.7	10.1	177.1	-60.9	0	0	0	0	114.3	L13	L13-S16 PolarHBondContact O-N 2.92Å
17	Q	35	Very low	43.7	Very low	144 Å²	144	110 Å²	110	67%	0.673	61%	0.614	S	S	*	*	S	Bend	trans	-103.1	97.2	169.5	-72.4	-172.2	-13.1	0	0	111.2
18	Q	30.7	Very low	43.9	Very low	156 Å²	156	110 Å²	110	73%	0.729	61%	0.614	S	S	*	*			trans	57.1	82.6	138.4	-62.3	-179.8	-50.5	0	0	116.8
19	V	29.8	Very low	44.6	Very low	133 Å²	133	116.3 Å²	116.3	81%	0.806	63%	0.631	S	S	*	*				-91.4	73.4	126.2	-177.7	0	0	0	0	106.4	T21	V19-T21 HydrophobicContact CG1-CG2 3.82Å; V19-T21 PolarHBondContact O-N 3.04Å
20	S	28.5	Very low	45.6	Very low	72 Å²	72	113.6 Å²	113.6	50%	0.503	62%	0.618	S	S	.	*			trans	-71.1	84.2	153.7	-80.9	0	0	0	0	106.1	E22	S20-E22 PolarHBondContact O-N 2.82Å
21	T	31	Very low	47.1	Very low	121 Å²	121	111.3 Å²	111.3	74%	0.742	60%	0.601	S	S	*	*			trans	-71	79.4	145.1	49	0	0	0	0	105.7	V19 G23	V19-T21 HydrophobicContact CG1-CG2 3.82Å; V19-T21 PolarHBondContact O-N 3.04Å; T21-G23 PolarHBondContact O-N 3.33Å
22	E	31.1	Very low	49.1	Very low	165 Å²	165	110.4 Å²	110.4	77%	0.771	59%	0.593	S	S	*	*			trans	-63.2	79.5	162.3	-97.5	170.7	163.2	0	0	107.4	S20 N24	S20-E22 PolarHBondContact O-N 2.82Å; E22-N24 PolarHBondContact O-N 3.35Å
23	G	38.4	Very low	51.4	Low	58 Å²	58	104.3 Å²	104.3	60%	0.598	57%	0.567	S	S	*	*			trans	-70.4	107.8	147.9	0	0	0	0	0	105.4	T21 K25	T21-G23 PolarHBondContact O-N 3.33Å; G23-K25 VanDerWaalsContact C-N 3.34Å; G23-K25 PolarHBondContact O-N 3.37Å
24	N	42.3	Very low	53.5	Low	114 Å²	114	99.7 Å²	99.7	61%	0.61	54%	0.544	S	S	*	.			trans	-30.2	87.1	178.6	-69.7	-12.5	0	0	0	113.2	E22 C26	E22-N24 PolarHBondContact O-N 3.35Å; N24-C26 PolarHBondContact O-N 3.26Å
25	K	54.9	Low	55.8	Low	185 Å²	185	95.7 Å²	95.7	80%	0.804	53%	0.526	S	S	*	.			trans	-84	105.1	168.6	-78	-175.9	-178.5	178.5	0	105.7	G23 L27	G23-K25 VanDerWaalsContact C-N 3.34Å; G23-K25 PolarHBondContact O-N 3.37Å; K25-L27 PolarHBondContact O-N 3.26Å
26	C	64.4	Low	58.1	Low	14 Å²	14	93.9 Å²	93.9	10%	0.095	51%	0.506	C	S	.	.			trans	-54.7	116.6	168.6	-167.4	0	0	0	0	108.5	N24 N30 L31 Y66 C120	N24-C26 PolarHBondContact O-N 3.26Å; C26-N30 VanDerWaalsContact SG-C 3.59Å; C26-L31 HydrophobicContact CB-CD1 4.5Å; C26-Y66 HydrophobicContact CB-CD1 3.83Å; C26-Y66 HydrophobicContact CB-CE1 3.52Å; C26-C120 WeakPolarHBondContact CA-SG 3.49Å; C26-C120 HydrophobicContact CB-CB 3.74Å; C26-C120 WeakPolarHBondContact CB-SG 3.3Å; C26-C120 WeakPolarHBondContact SG-CB 3.44Å; C26-C120 CovalentContact SG-SG 2.02Å; C26-C120 PolarHBondContact SG-SG 3.38Å
27	L	67.9	Low	60.5	Low	122 Å²	122	93 Å²	93	64%	0.639	50%	0.5	S	S	*	.			trans	-60.2	139.1	169.1	-75.2	165.1	0	0	0	107.6	K25 K29 N30 L31	K25-L27 PolarHBondContact O-N 3.26Å; L27-K29 PolarHBondContact O-N 3.22Å; L27-N30 PolarHBondContact O-N 2.81Å; L27-L31 PolarHBondContact O-N 2.98Å
28	T	62.6	Low	62.3	Low	88 Å²	88	86.5 Å²	86.5	54%	0.54	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-53.3	-25.3	-177.2	38.5	0	0	0	0	113.8
29	K	67	Low	64.1	Low	188 Å²	188	82.9 Å²	82.9	82%	0.817	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-73.5	-19.7	175.8	-64.5	-175.1	178.7	-178.1	0	114.9	L27	L27-K29 PolarHBondContact O-N 3.22Å
30	N	78.6	Confident	65.6	Low	31 Å²	31	80.7 Å²	80.7	17%	0.166	45%	0.449	C	S	.	.	G	3₁₀ helix	trans	-105.3	-1.8	-177.7	-60.8	-0.3	0	0	0	112.2	C26 L27 H32 C120 D121	C26-N30 VanDerWaalsContact SG-C 3.59Å; L27-N30 PolarHBondContact O-N 2.81Å; N30-H32 PolarHBondContact O-CD2 2.83Å; N30-H32 PolarHBondContact O-N 3.42Å; N30-C120 WeakPolarHBondContact O-CA 3.5Å; N30-D121 PolarHBondContact ND2-O 3.15Å; N30-D121 PolarHBondContact O-N 2.95Å
31	L	85.1	Confident	66.9	Low	14 Å²	14	83.1 Å²	83.1	7%	0.073	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	113.7	179.9	-174.3	70.4	0	0	0	108.9	C26 L27 F33 A62 R63 Y66 V118	C26-L31 HydrophobicContact CB-CD1 4.5Å; L27-L31 PolarHBondContact O-N 2.98Å; L31-F33 HydrophobicContact CD2-CD1 4.2Å; L31-F33 HydrophobicContact CD2-CE1 4.24Å; L31-F33 HydrophobicContact CG-CD1 4.08Å; L31-F33 HydrophobicContact CG-CE1 4.44Å; L31-A62 HydrophobicContact CD2-CB 3.89Å; L31-R63 HydrophobicContact CD2-CB 4.06Å; L31-Y66 HydrophobicContact CD1-CD1 4.48Å; L31-Y66 HydrophobicContact CD1-CD2 4.06Å; L31-Y66 HydrophobicContact CD1-CG 3.84Å; L31-V118 HydrophobicContact CD1-CG1 3.9Å
32	H	86.1	Confident	68	Low	91 Å²	91	82.7 Å²	82.7	42%	0.421	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	132.8	177	-62.2	-79.6	0	0	0	109.7	N30 V118 S119	N30-H32 PolarHBondContact O-CD2 2.83Å; N30-H32 PolarHBondContact O-N 3.42Å; H32-V118 CarbonylContact O-C 3.59Å; H32-V118 WeakPolarHBondContact O-CA 3.41Å; H32-S119 PolarHBondContact N-O 3.44Å; H32-S119 PolarHBondContact O-N 3.41Å; H32-S119 VanDerWaalsContact O-O 3.09Å; H32-S119 PolarHBondContact O-OG 3.03Å
33	F	90.6	Very high	69	Low	36 Å²	36	76.2 Å²	76.2	16%	0.158	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	155.7	174.7	55.9	-90.3	0	0	0	108.9	L31 T35 L58 H59 A62 I115 V118	L31-F33 HydrophobicContact CD2-CD1 4.2Å; L31-F33 HydrophobicContact CD2-CE1 4.24Å; L31-F33 HydrophobicContact CG-CD1 4.08Å; L31-F33 HydrophobicContact CG-CE1 4.44Å; F33-T35 HydrophobicContact CD2-CG2 3.71Å; F33-T35 HydrophobicContact CE2-CG2 3.65Å; F33-L58 HydrophobicContact CD2-CD2 4.17Å; F33-L58 HydrophobicContact CE2-CD2 3.19Å; F33-L58 HydrophobicContact CZ-CD2 3.61Å; F33-H59 AromaticContact CE1-CD2 3.86Å; F33-H59 AromaticContact CZ-CD2 3.78Å; F33-H59 AromaticContact CZ-CE1 3.99Å; F33-H59 AromaticContact CZ-CG 3.98Å; F33-H59 AromaticContact CZ-NE2 3.81Å; F33-A62 HydrophobicContact CD1-CB 3.41Å; F33-A62 VanDerWaalsContact CD1-CB 3.41Å; F33-A62 HydrophobicContact CD2-CB 4.26Å; F33-A62 HydrophobicContact CE1-CB 3.57Å; F33-A62 HydrophobicContact CE2-CB 4.42Å; F33-A62 HydrophobicContact CG-CB 3.78Å; F33-A62 HydrophobicContact CZ-CB 4.08Å; F33-I115 HydrophobicContact CB-CG2 3.94Å; F33-I115 HydrophobicContact CD2-CG2 3.95Å; F33-I115 HydrophobicContact CG-CG2 4.04Å; F33-V118 HydrophobicContact CB-CB 4.49Å; F33-V118 HydrophobicContact CB-CG2 4.09Å
34	A	88	Confident	69.7	Low	15 Å²	15	76.8 Å²	76.8	12%	0.124	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	152.5	171.9	0	0	0	0	0	110	I115 F116 C117	A34-I115 WeakPolarHBondContact O-CA 3.3Å; A34-F116 HydrophobicContact CB-CD1 4.33Å; A34-F116 HydrophobicContact CB-CD2 4.08Å; A34-F116 HydrophobicContact CB-CE1 3.9Å; A34-F116 HydrophobicContact CB-CE2 3.61Å; A34-F116 HydrophobicContact CB-CG 4.41Å; A34-F116 HydrophobicContact CB-CZ 3.51Å; A34-F116 PolarHBondContact N-O 3.34Å; A34-F116 PolarHBondContact O-N 3.47Å; A34-C117 HydrophobicContact CB-CB 4.49Å
35	T	89.7	Confident	70.2	Confident	48 Å²	48	77.1 Å²	77.1	29%	0.294	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144.9	179.1	58.6	0	0	0	0	112.6	F33 L58 T113 L114	F33-T35 HydrophobicContact CD2-CG2 3.71Å; F33-T35 HydrophobicContact CE2-CG2 3.65Å; T35-L58 HydrophobicContact CG2-CD1 4.02Å; T35-L58 HydrophobicContact CG2-CD2 3.7Å; T35-L58 HydrophobicContact CG2-CG 4.46Å; T35-T113 HydrophobicContact CG2-CG2 4.19Å; T35-L114 CarbonylContact C-O 3.59Å; T35-L114 WeakPolarHBondContact CA-O 3.31Å
36	E	83.9	Confident	69.9	Low	75 Å²	75	70.6 Å²	70.6	35%	0.35	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	135.4	171.9	-173.3	177.2	173.5	0	0	109.2	I38 R91 L114 F116	E36-I38 PolarHBondContact O-N 3.34Å; E36-R91 IonicContact OE1-NH2 3.22Å; E36-R91 PolarHBondContact OE1-NH2 2.87Å; E36-R91 IonicContact OE2-CZ 3.95Å; E36-R91 IonicContact OE2-NE 2.73Å; E36-R91 IonicContact OE2-NH2 3.96Å; E36-R91 PolarHBondContact OE2-NH2 2.95Å; E36-L114 HydrophobicContact CB-CB 4.44Å; E36-L114 PolarHBondContact N-O 2.89Å; E36-L114 PolarHBondContact O-N 3.41Å; E36-F116 HydrophobicContact CB-CE1 4.09Å
37	S	84.5	Confident	68.9	Low	84 Å²	84	75 Å²	75	59%	0.587	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	124.2	175	-59.4	0	0	0	0	110.2
38	I	72.9	Confident	68.3	Low	7 Å²	7	73.3 Å²	73.3	4%	0.036	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	129.8	177	-66	164.5	0	0	0	109.8	E36 K42 Q43 Y46 L75 T112 L114	E36-I38 PolarHBondContact O-N 3.34Å; I38-K42 HydrophobicContact CG2-CB 3.73Å; I38-Q43 HydrophobicContact CG2-CG 4.02Å; I38-Y46 HydrophobicContact CD1-CD2 3.92Å; I38-Y46 HydrophobicContact CD1-CE1 4.12Å; I38-Y46 HydrophobicContact CD1-CE2 3.37Å; I38-Y46 VanDerWaalsContact CD1-CZ 3.49Å; I38-Y46 HydrophobicContact CG1-CE2 4.08Å; I38-Y46 HydrophobicContact CG2-CE2 4.19Å; I38-L75 HydrophobicContact CD1-CD2 3.21Å; I38-T112 WeakPolarHBondContact CB-O 3.42Å; I38-T112 PolarHBondContact N-O 2.92Å; I38-L114 HydrophobicContact CD1-CB 3.52Å; I38-L114 HydrophobicContact CD1-CD1 4.1Å; I38-L114 HydrophobicContact CD1-CD2 4.34Å; I38-L114 HydrophobicContact CD1-CG 4.17Å; I38-L114 HydrophobicContact CG1-CB 4.07Å
39	T	69.4	Low	67.7	Low	79 Å²	79	72.6 Å²	72.6	49%	0.485	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-68.3	145.6	170.9	53.1	0	0	0	0	110.7	D41 K42	T39-D41 WeakPolarHBondContact CB-OD1 3.26Å; T39-D41 PolarHBondContact O-N 3.15Å; T39-D41 PolarHBondContact OG1-OD1 2.92Å; T39-K42 PolarHBondContact O-N 3.42Å
40	S	61.2	Low	67	Low	88 Å²	88	64.4 Å²	64.4	62%	0.615	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-25.4	-172	-173.3	0	0	0	0	114.7
41	D	54.9	Low	66.6	Low	123 Å²	123	67 Å²	67	66%	0.658	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-30.9	176.3	60.1	-43.4	0	0	0	113	T39	T39-D41 WeakPolarHBondContact CB-OD1 3.26Å; T39-D41 PolarHBondContact O-N 3.15Å; T39-D41 PolarHBondContact OG1-OD1 2.92Å
42	K	55	Low	65.6	Low	111 Å²	111	67.3 Å²	67.3	48%	0.483	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-6	-179.1	-70.8	-169.1	177.7	-173.9	0	114.5	I38 T39 G44 D45 Y46	I38-K42 HydrophobicContact CG2-CB 3.73Å; T39-K42 PolarHBondContact O-N 3.42Å; K42-G44 PolarHBondContact O-N 3.21Å; K42-D45 WeakPolarHBondContact O-CB 3.34Å; K42-D45 PolarHBondContact O-N 2.91Å; K42-D45 VanDerWaalsContact O-N 3.13Å; K42-Y46 WeakPolarHBondContact O-CD2 3.4Å; K42-Y46 VanDerWaalsContact O-CE2 3.29Å; K42-Y46 WeakPolarHBondContact O-CE2 3.22Å
43	Q	51.4	Low	65.3	Low	29 Å²	29	66.8 Å²	66.8	14%	0.136	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-61.1	-30.2	178.8	-71.6	178.1	23.8	0	0	112.7	I38 D45 T112	I38-Q43 HydrophobicContact CG2-CG 4.02Å; Q43-D45 VanDerWaalsContact C-N 3.27Å; Q43-D45 PolarHBondContact O-N 3.27Å; Q43-T112 HydrophobicContact CG-CG2 4.38Å; Q43-T112 VanDerWaalsContact NE2-CB 3.31Å; Q43-T112 PolarHBondContact NE2-OG1 3.13Å; Q43-T112 PolarHBondContact OE1-OG1 3.21Å
44	G	52.7	Low	64.8	Low	70 Å²	70	71.4 Å²	71.4	72%	0.722	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-71.2	-18	178.2	0	0	0	0	0	114.3	K42 Y46	K42-G44 PolarHBondContact O-N 3.21Å; G44-Y46 PolarHBondContact O-N 3.35Å
45	D	52.5	Low	64.6	Low	122 Å²	122	70.9 Å²	70.9	65%	0.652	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-75.7	-11.4	-178.7	-60.9	-20.9	0	0	0	112.6	K42 Q43	K42-D45 WeakPolarHBondContact O-CB 3.34Å; K42-D45 PolarHBondContact O-N 2.91Å; K42-D45 VanDerWaalsContact O-N 3.13Å; Q43-D45 VanDerWaalsContact C-N 3.27Å; Q43-D45 PolarHBondContact O-N 3.27Å
46	Y	49.4	Very low	64.4	Low	47 Å²	47	73.9 Å²	73.9	18%	0.184	42%	0.419	C	S	.	.	S	Bend	trans	-101.3	122	-173.4	-67.3	-91.3	0	0	0	111.7	I38 K42 G44 F48 L75 V90 L114	I38-Y46 HydrophobicContact CD1-CD2 3.92Å; I38-Y46 HydrophobicContact CD1-CE1 4.12Å; I38-Y46 HydrophobicContact CD1-CE2 3.37Å; I38-Y46 VanDerWaalsContact CD1-CZ 3.49Å; I38-Y46 HydrophobicContact CG1-CE2 4.08Å; I38-Y46 HydrophobicContact CG2-CE2 4.19Å; K42-Y46 WeakPolarHBondContact O-CD2 3.4Å; K42-Y46 VanDerWaalsContact O-CE2 3.29Å; K42-Y46 WeakPolarHBondContact O-CE2 3.22Å; G44-Y46 PolarHBondContact O-N 3.35Å; Y46-F48 WeakPolarHBondContact O-CD1 3.49Å; Y46-L75 HydrophobicContact CD2-CD2 4.48Å; Y46-L75 HydrophobicContact CG-CD1 4.26Å; Y46-L75 HydrophobicContact CG-CD2 4.31Å; Y46-V90 HydrophobicContact CD1-CG2 4.18Å; Y46-V90 HydrophobicContact CE1-CG1 3.74Å; Y46-V90 HydrophobicContact CE1-CG2 3.95Å; Y46-L114 HydrophobicContact CD1-CD1 3.9Å; Y46-L114 HydrophobicContact CE1-CD1 3.74Å; Y46-L114 HydrophobicContact CE1-CD2 3.74Å; Y46-L114 HydrophobicContact CE1-CG 4.37Å
47	L	43.7	Very low	64.6	Low	106 Å²	106	72.6 Å²	72.6	56%	0.555	42%	0.418	S	S	*	.			trans	-79.5	124.7	175.3	-60.1	176	0	0	0	110.9	G86 T762	L47-G86 WeakPolarHBondContact O-CA 3.44Å; L47-T762 HydrophobicContact CD2-CG2 3.12Å
48	F	54.4	Low	65	Low	87 Å²	87	70.3 Å²	70.3	38%	0.382	40%	0.399	S	S	.	.			trans	-125.8	143.8	175.2	53.9	-89.4	0	0	0	111.3	Y46 V51 K84 L85	Y46-F48 WeakPolarHBondContact O-CD1 3.49Å; F48-V51 HydrophobicContact CD2-CG2 3.98Å; F48-V51 HydrophobicContact CE2-CG2 4.18Å; F48-K84 HydrophobicContact CB-CB 3.84Å; F48-K84 HydrophobicContact CD1-CB 4.32Å; F48-K84 HydrophobicContact CD1-CD 3.89Å; F48-K84 HydrophobicContact CD2-CB 4.24Å; F48-K84 HydrophobicContact CD2-CD 4.27Å; F48-K84 HydrophobicContact CE1-CD 3.93Å; F48-K84 HydrophobicContact CE2-CD 4.3Å; F48-K84 HydrophobicContact CG-CB 3.87Å; F48-K84 HydrophobicContact CG-CD 4.09Å; F48-K84 HydrophobicContact CG-CG 4.46Å; F48-K84 HydrophobicContact CZ-CD 4.14Å; F48-L85 CarbonylContact C-O 3.47Å; F48-L85 WeakPolarHBondContact CA-O 3.12Å; F48-L85 VanDerWaalsContact CB-O 3.32Å; F48-L85 WeakPolarHBondContact CB-O 3.41Å
49	Y	51.2	Low	65.8	Low	73 Å²	73	74 Å²	74	29%	0.286	42%	0.416	S	S	.	.	S	Bend	trans	-112.2	-18.9	-178.9	71.8	-95.8	0	0	0	113.2	N69 C71 L85 Y87	Y49-N69 PolarHBondContact OH-O 3.09Å; Y49-C71 WeakPolarHBondContact OH-CA 3.42Å; Y49-C71 WeakPolarHBondContact OH-CB 3.36Å; Y49-C71 PolarHBondContact OH-N 3.21Å; Y49-L85 WeakPolarHBondContact CD1-O 3.45Å; Y49-L85 HydrophobicContact CE1-CB 3.93Å; Y49-L85 HydrophobicContact CE2-CB 4.37Å; Y49-L85 PolarHBondContact N-O 3.21Å; Y49-Y87 VanDerWaalsContact CB-CZ 3.43Å; Y49-Y87 WeakPolarHBondContact CB-OH 3.19Å; Y49-Y87 AromaticContact CD1-CD1 3.69Å; Y49-Y87 HydrophobicContact CD1-CD1 3.69Å; Y49-Y87 AromaticContact CD1-CD2 3.79Å; Y49-Y87 HydrophobicContact CD1-CD2 3.79Å; Y49-Y87 AromaticContact CD1-CE1 3.6Å; Y49-Y87 HydrophobicContact CD1-CE1 3.6Å; Y49-Y87 AromaticContact CD1-CE2 3.73Å; Y49-Y87 HydrophobicContact CD1-CE2 3.73Å; Y49-Y87 AromaticContact CD1-CG 3.77Å; Y49-Y87 HydrophobicContact CD1-CG 3.77Å; Y49-Y87 AromaticContact CD1-CZ 3.6Å; Y49-Y87 HydrophobicContact CD2-CE1 4.41Å; Y49-Y87 AromaticContact CE1-CD1 3.96Å; Y49-Y87 HydrophobicContact CE1-CD1 3.96Å; Y49-Y87 AromaticContact CE1-CE1 3.98Å; Y49-Y87 HydrophobicContact CE1-CE1 3.98Å; Y49-Y87 HydrophobicContact CE1-CG 4.36Å; Y49-Y87 HydrophobicContact CG-CD1 4.39Å; Y49-Y87 HydrophobicContact CG-CD2 4.21Å; Y49-Y87 AromaticContact CG-CE1 3.85Å; Y49-Y87 HydrophobicContact CG-CE1 3.85Å; Y49-Y87 AromaticContact CG-CE2 3.68Å; Y49-Y87 HydrophobicContact CG-CE2 3.68Å; Y49-Y87 AromaticContact CG-CZ 3.44Å; Y49-Y87 VanDerWaalsContact CG-CZ 3.44Å
50	G	52.3	Low	66.8	Low	17 Å²	17	73 Å²	73	18%	0.175	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	149.8	-179.1	0	0	0	0	0	110.3	K84 L85	G50-K84 CarbonylContact O-C 3.52Å; G50-K84 WeakPolarHBondContact O-CA 3.39Å; G50-L85 PolarHBondContact N-O 3.39Å; G50-L85 PolarHBondContact O-N 3.38Å
51	V	68.8	Low	68.3	Low	84 Å²	84	68.8 Å²	68.8	51%	0.509	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	117.4	173.4	-175.2	0	0	0	0	107.6	F48 I82 C83 K84	F48-V51 HydrophobicContact CD2-CG2 3.98Å; F48-V51 HydrophobicContact CE2-CG2 4.18Å; V51-I82 HydrophobicContact CG1-CG2 3.4Å; V51-C83 CarbonylContact C-O 3.59Å; V51-C83 WeakPolarHBondContact CA-O 3.41Å; V51-K84 HydrophobicContact CG1-CG 4.43Å; V51-K84 HydrophobicContact CG2-CG 4.27Å
52	A	64.3	Low	70	Confident	22 Å²	22	63 Å²	63	18%	0.182	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	133.8	166.6	0	0	0	0	0	108.7	V55 I64 I82 C83	A52-V55 HydrophobicContact CB-CG2 3.86Å; A52-I64 HydrophobicContact CB-CD1 4.03Å; A52-I64 HydrophobicContact CB-CG2 4.18Å; A52-I82 CarbonylContact O-C 3.55Å; A52-I82 WeakPolarHBondContact O-CA 3.25Å; A52-C83 HydrophobicContact CB-CB 4.24Å; A52-C83 PolarHBondContact N-O 2.83Å; A52-C83 PolarHBondContact O-N 2.83Å
53	S	79.7	Confident	71.6	Confident	79 Å²	79	61.4 Å²	61.4	55%	0.552	34%	0.336	S	S	*	.			trans	-105.7	168.6	174.5	42.6	0	0	0	0	109.5	V55 K81	S53-V55 PolarHBondContact O-N 3.49Å; S53-K81 CarbonylContact C-O 3.41Å
54	E	81.3	Confident	73.3	Confident	133 Å²	133	61.6 Å²	61.6	62%	0.621	34%	0.338	S	S	*	.			trans	59.4	31.5	-178.4	-54	-176.7	169.9	0	0	113.4	D56 K81	E54-D56 PolarHBondContact O-N 3.34Å; E54-K81 PolarHBondContact N-O 3.04Å
55	V	82.7	Confident	74.8	Confident	4 Å²	4	58.3 Å²	58.3	2%	0.024	30%	0.304	C	S	.	.			trans	-85.9	106	176.7	-176.5	0	0	0	0	108.6	A52 S53 S57 E60 C61 I64 Y76 K81 C83	A52-V55 HydrophobicContact CB-CG2 3.86Å; S53-V55 PolarHBondContact O-N 3.49Å; V55-S57 VanDerWaalsContact C-N 3.33Å; V55-S57 WeakPolarHBondContact CG1-O 3.5Å; V55-S57 PolarHBondContact O-N 2.75Å; V55-E60 HydrophobicContact CG1-CB 3.94Å; V55-E60 HydrophobicContact CG1-CG 3.99Å; V55-C61 HydrophobicContact CG1-CB 3.83Å; V55-I64 HydrophobicContact CG1-CD1 4.21Å; V55-I64 HydrophobicContact CG2-CD1 3.54Å; V55-Y76 HydrophobicContact CB-CE2 4.2Å; V55-Y76 HydrophobicContact CG1-CD2 4.24Å; V55-Y76 HydrophobicContact CG1-CE2 3.9Å; V55-Y76 WeakPolarHBondContact O-CE2 3.07Å; V55-Y76 PolarHBondContact O-OH 3.34Å; V55-K81 PolarHBondContact N-O 2.8Å; V55-K81 WeakPolarHBondContact O-CA 3.47Å; V55-K81 WeakPolarHBondContact O-CB 3.36Å; V55-C83 HydrophobicContact CB-CB 4.15Å; V55-C83 HydrophobicContact CG1-CB 4.18Å; V55-C83 HydrophobicContact CG2-CB 3.7Å
56	D	86	Confident	76.3	Confident	112 Å²	112	55.9 Å²	55.9	60%	0.599	29%	0.286	S	S	*	.			trans	-75.7	-17.9	-172	-74.8	-41.5	0	0	0	114.7	E54 Y76 K81	E54-D56 PolarHBondContact O-N 3.34Å; D56-Y76 VanDerWaalsContact C-OH 3.3Å; D56-Y76 PolarHBondContact O-OH 3.46Å; D56-K81 WeakPolarHBondContact OD1-CE 3.34Å; D56-K81 IonicContact OD1-NZ 3.5Å; D56-K81 PolarHBondContact OD1-NZ 3.07Å
57	S	89	Confident	77.7	Confident	48 Å²	48	57.4 Å²	57.4	34%	0.336	30%	0.3	S	S	.	.			trans	-147.5	154.8	-176.9	72.4	0	0	0	0	112.7	V55 H59 E60 C61 Y76	V55-S57 VanDerWaalsContact C-N 3.33Å; V55-S57 WeakPolarHBondContact CG1-O 3.5Å; V55-S57 PolarHBondContact O-N 2.75Å; S57-H59 PolarHBondContact O-N 2.88Å; S57-E60 WeakPolarHBondContact O-CB 3.44Å; S57-E60 PolarHBondContact O-N 3.17Å; S57-E60 VanDerWaalsContact O-N 3.1Å; S57-E60 WeakPolarHBondContact OG-CB 3.21Å; S57-E60 PolarHBondContact OG-N 3.19Å; S57-E60 VanDerWaalsContact OG-N 3.11Å; S57-C61 PolarHBondContact O-N 3.25Å; S57-Y76 VanDerWaalsContact C-CZ 3.49Å; S57-Y76 WeakPolarHBondContact CA-OH 3.46Å; S57-Y76 PolarHBondContact N-OH 3.13Å
58	L	91.6	Very high	78.8	Confident	36 Å²	36	53.5 Å²	53.5	19%	0.188	28%	0.283	C	S	.	.	H	α-helix	trans	-58.2	-38.5	173.5	-174.6	146.3	0	0	0	112	F33 T35 E60 C61 A62 Y76 T113 I115	F33-L58 HydrophobicContact CD2-CD2 4.17Å; F33-L58 HydrophobicContact CE2-CD2 3.19Å; F33-L58 HydrophobicContact CZ-CD2 3.61Å; T35-L58 HydrophobicContact CG2-CD1 4.02Å; T35-L58 HydrophobicContact CG2-CD2 3.7Å; T35-L58 HydrophobicContact CG2-CG 4.46Å; L58-E60 VanDerWaalsContact C-N 3.32Å; L58-E60 PolarHBondContact O-N 2.91Å; L58-C61 WeakPolarHBondContact O-CB 3.26Å; L58-C61 PolarHBondContact O-N 3.03Å; L58-A62 PolarHBondContact O-N 2.66Å; L58-Y76 HydrophobicContact CB-CD1 3.64Å; L58-Y76 HydrophobicContact CB-CE1 3.88Å; L58-Y76 HydrophobicContact CB-CG 4.32Å; L58-Y76 HydrophobicContact CD1-CD1 4.15Å; L58-Y76 HydrophobicContact CG-CD1 4.09Å; L58-T113 HydrophobicContact CD1-CG2 3.43Å; L58-T113 VanDerWaalsContact CD1-CG2 3.43Å; L58-I115 HydrophobicContact CD2-CD1 4.24Å; L58-I115 HydrophobicContact CD2-CG1 4.44Å; L58-I115 HydrophobicContact CG-CD1 3.99Å; L58-I115 HydrophobicContact CG-CG1 4.31Å; L58-I115 WeakPolarHBondContact O-CD1 3.48Å
59	H	91.1	Very high	78.9	Confident	84 Å²	84	55.1 Å²	55.1	39%	0.389	30%	0.296	S	S	.	.	H	α-helix	trans	-64	-37.7	176.5	-79.1	75	0	0	0	112	F33 S57 A62 R63	F33-H59 AromaticContact CE1-CD2 3.86Å; F33-H59 AromaticContact CZ-CD2 3.78Å; F33-H59 AromaticContact CZ-CE1 3.99Å; F33-H59 AromaticContact CZ-CG 3.98Å; F33-H59 AromaticContact CZ-NE2 3.81Å; S57-H59 PolarHBondContact O-N 2.88Å; H59-A62 PolarHBondContact O-N 3.09Å; H59-R63 WeakPolarHBondContact O-CB 3.38Å; H59-R63 PolarHBondContact O-N 3.42Å
60	E	90.7	Very high	79.3	Confident	58 Å²	58	57.5 Å²	57.5	27%	0.271	31%	0.308	S	S	.	.	H	α-helix	trans	-67.8	-38.6	175.7	-175.9	59.7	-164.9	0	0	111.2	V55 S57 L58 A62 R63 I64	V55-E60 HydrophobicContact CG1-CB 3.94Å; V55-E60 HydrophobicContact CG1-CG 3.99Å; S57-E60 WeakPolarHBondContact O-CB 3.44Å; S57-E60 PolarHBondContact O-N 3.17Å; S57-E60 VanDerWaalsContact O-N 3.1Å; S57-E60 WeakPolarHBondContact OG-CB 3.21Å; S57-E60 PolarHBondContact OG-N 3.19Å; S57-E60 VanDerWaalsContact OG-N 3.11Å; L58-E60 VanDerWaalsContact C-N 3.32Å; L58-E60 PolarHBondContact O-N 2.91Å; E60-A62 PolarHBondContact O-N 3.01Å; E60-R63 VanDerWaalsContact CD-NE 3.33Å; E60-R63 WeakPolarHBondContact O-CB 3.3Å; E60-R63 PolarHBondContact O-N 2.92Å; E60-R63 IonicContact OE1-CZ 3.72Å; E60-R63 VanDerWaalsContact OE1-CZ 3.27Å; E60-R63 IonicContact OE1-NE 3.53Å; E60-R63 PolarHBondContact OE1-NE 2.79Å; E60-R63 VanDerWaalsContact OE1-NE 3.11Å; E60-R63 IonicContact OE1-NH2 2.7Å; E60-R63 PolarHBondContact OE1-NH2 3.06Å; E60-R63 IonicContact OE2-CZ 3.38Å; E60-R63 IonicContact OE2-NE 3.13Å; E60-R63 PolarHBondContact OE2-NE 2.91Å; E60-R63 IonicContact OE2-NH2 3.38Å; E60-I64 HydrophobicContact CG-CD1 4.15Å; E60-I64 VanDerWaalsContact O-CG1 3.25Å; E60-I64 WeakPolarHBondContact O-CG1 3.41Å; E60-I64 PolarHBondContact O-N 3.02Å
61	C	91.5	Very high	79.9	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-60.7	-45	172.4	-177.8	0	0	0	0	112	V55 S57 L58 R63 I64 C65 Y76 C83 I115	V55-C61 HydrophobicContact CG1-CB 3.83Å; S57-C61 PolarHBondContact O-N 3.25Å; L58-C61 WeakPolarHBondContact O-CB 3.26Å; L58-C61 PolarHBondContact O-N 3.03Å; C61-R63 VanDerWaalsContact C-N 3.31Å; C61-R63 PolarHBondContact O-N 2.81Å; C61-I64 PolarHBondContact O-N 3.11Å; C61-C65 PolarHBondContact O-N 2.84Å; C61-Y76 HydrophobicContact CB-CD2 3.76Å; C61-Y76 HydrophobicContact CB-CG 4.15Å; C61-C83 WeakPolarHBondContact CA-SG 3.48Å; C61-C83 HydrophobicContact CB-CB 3.63Å; C61-C83 WeakPolarHBondContact CB-SG 3.48Å; C61-C83 WeakPolarHBondContact SG-CB 3.38Å; C61-C83 CovalentContact SG-SG 2.03Å; C61-C83 PolarHBondContact SG-SG 2.91Å; C61-I115 HydrophobicContact CB-CD1 3.67Å; C61-I115 VanDerWaalsContact SG-CD1 3.54Å
62	A	91.6	Very high	80	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-60.5	-41.4	174.8	0	0	0	0	0	111.8	L31 F33 L58 H59 E60 C65 Y66 I115	L31-A62 HydrophobicContact CD2-CB 3.89Å; F33-A62 HydrophobicContact CD1-CB 3.41Å; F33-A62 VanDerWaalsContact CD1-CB 3.41Å; F33-A62 HydrophobicContact CD2-CB 4.26Å; F33-A62 HydrophobicContact CE1-CB 3.57Å; F33-A62 HydrophobicContact CE2-CB 4.42Å; F33-A62 HydrophobicContact CG-CB 3.78Å; F33-A62 HydrophobicContact CZ-CB 4.08Å; L58-A62 PolarHBondContact O-N 2.66Å; H59-A62 PolarHBondContact O-N 3.09Å; E60-A62 PolarHBondContact O-N 3.01Å; A62-C65 WeakPolarHBondContact O-CB 3.34Å; A62-C65 PolarHBondContact O-N 2.77Å; A62-Y66 PolarHBondContact O-N 3.25Å; A62-I115 HydrophobicContact CB-CD1 4.12Å; A62-I115 HydrophobicContact CB-CG2 3.9Å
63	R	88.3	Confident	80.8	Confident	79 Å²	79	60.3 Å²	60.3	30%	0.298	30%	0.303	S	S	.	.	H	α-helix	trans	-63.9	-44.4	177.2	-168.3	-163	69.3	71	-1.6	111.6	L31 H59 E60 C61 C65 Y66 V67	L31-R63 HydrophobicContact CD2-CB 4.06Å; H59-R63 WeakPolarHBondContact O-CB 3.38Å; H59-R63 PolarHBondContact O-N 3.42Å; E60-R63 VanDerWaalsContact CD-NE 3.33Å; E60-R63 WeakPolarHBondContact O-CB 3.3Å; E60-R63 PolarHBondContact O-N 2.92Å; E60-R63 IonicContact OE1-CZ 3.72Å; E60-R63 VanDerWaalsContact OE1-CZ 3.27Å; E60-R63 IonicContact OE1-NE 3.53Å; E60-R63 PolarHBondContact OE1-NE 2.79Å; E60-R63 VanDerWaalsContact OE1-NE 3.11Å; E60-R63 IonicContact OE1-NH2 2.7Å; E60-R63 PolarHBondContact OE1-NH2 3.06Å; E60-R63 IonicContact OE2-CZ 3.38Å; E60-R63 IonicContact OE2-NE 3.13Å; E60-R63 PolarHBondContact OE2-NE 2.91Å; E60-R63 IonicContact OE2-NH2 3.38Å; C61-R63 VanDerWaalsContact C-N 3.31Å; C61-R63 PolarHBondContact O-N 2.81Å; R63-C65 VanDerWaalsContact C-N 3.31Å; R63-C65 PolarHBondContact O-N 3.4Å; R63-Y66 PolarHBondContact O-N 3.22Å; R63-V67 WeakPolarHBondContact O-CG2 3.39Å; R63-V67 PolarHBondContact O-N 2.85Å; R63-V67 VanDerWaalsContact O-N 3.11Å
64	I	85.6	Confident	81.1	Confident	32 Å²	32	56.6 Å²	56.6	16%	0.164	28%	0.278	C	S	.	.	H	α-helix	trans	-59.8	-44.3	175.3	-68.6	164.4	0	0	0	109.9	A52 V55 E60 C61 V67 A68 L85	A52-I64 HydrophobicContact CB-CD1 4.03Å; A52-I64 HydrophobicContact CB-CG2 4.18Å; V55-I64 HydrophobicContact CG1-CD1 4.21Å; V55-I64 HydrophobicContact CG2-CD1 3.54Å; E60-I64 HydrophobicContact CG-CD1 4.15Å; E60-I64 VanDerWaalsContact O-CG1 3.25Å; E60-I64 WeakPolarHBondContact O-CG1 3.41Å; E60-I64 PolarHBondContact O-N 3.02Å; C61-I64 PolarHBondContact O-N 3.11Å; I64-V67 WeakPolarHBondContact O-CG2 3.08Å; I64-V67 PolarHBondContact O-N 2.83Å; I64-A68 WeakPolarHBondContact O-CB 3.23Å; I64-A68 PolarHBondContact O-N 2.82Å; I64-L85 HydrophobicContact CG2-CD1 4.18Å; I64-L85 HydrophobicContact CG2-CD2 4.08Å
65	C	84.7	Confident	81.3	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.007	25%	0.25	C	C	.	.	H	α-helix	trans	-60.9	-48.6	175.2	-175	0	0	0	0	111.5	C61 A62 R63 V67 A68 C71 A74 L85	C61-C65 PolarHBondContact O-N 2.84Å; A62-C65 WeakPolarHBondContact O-CB 3.34Å; A62-C65 PolarHBondContact O-N 2.77Å; R63-C65 VanDerWaalsContact C-N 3.31Å; R63-C65 PolarHBondContact O-N 3.4Å; C65-V67 VanDerWaalsContact C-N 3.3Å; C65-V67 PolarHBondContact O-N 2.77Å; C65-A68 PolarHBondContact O-N 3.16Å; C65-A68 VanDerWaalsContact O-N 3.07Å; C65-C71 WeakPolarHBondContact CA-SG 3.33Å; C65-C71 HydrophobicContact CB-CB 4.03Å; C65-C71 WeakPolarHBondContact CB-SG 3.3Å; C65-C71 WeakPolarHBondContact O-CB 3.48Å; C65-C71 WeakPolarHBondContact SG-CB 3.4Å; C65-C71 CovalentContact SG-SG 2.04Å; C65-C71 PolarHBondContact SG-SG 3.04Å; C65-A74 HydrophobicContact CB-CB 4.12Å; C65-L85 HydrophobicContact CB-CD2 4.05Å
66	Y	84.1	Confident	81.7	Confident	72 Å²	72	51.1 Å²	51.1	28%	0.282	25%	0.251	S	S	.	.	H	α-helix	trans	-56	-41.5	179.7	-179.9	-100	0	0	0	113.5	C26 L31 A62 R63 V118 C120	C26-Y66 HydrophobicContact CB-CD1 3.83Å; C26-Y66 HydrophobicContact CB-CE1 3.52Å; L31-Y66 HydrophobicContact CD1-CD1 4.48Å; L31-Y66 HydrophobicContact CD1-CD2 4.06Å; L31-Y66 HydrophobicContact CD1-CG 3.84Å; A62-Y66 PolarHBondContact O-N 3.25Å; R63-Y66 PolarHBondContact O-N 3.22Å; Y66-V118 HydrophobicContact CD2-CG1 4.15Å; Y66-V118 HydrophobicContact CG-CG1 4.44Å; Y66-C120 HydrophobicContact CD2-CB 4.43Å; Y66-C120 HydrophobicContact CE1-CB 4.23Å; Y66-C120 HydrophobicContact CE2-CB 3.56Å; Y66-C120 VanDerWaalsContact CZ-CB 3.43Å; Y66-C120 VanDerWaalsContact OH-CB 3.26Å; Y66-C120 WeakPolarHBondContact OH-CB 3.48Å
67	V	78.7	Confident	81.7	Confident	78 Å²	78	46.4 Å²	46.4	47%	0.473	23%	0.226	S	C	.	.	H	α-helix	trans	-82.9	-14.7	179.8	-58.2	0	0	0	0	113.6	R63 I64 C65	R63-V67 WeakPolarHBondContact O-CG2 3.39Å; R63-V67 PolarHBondContact O-N 2.85Å; R63-V67 VanDerWaalsContact O-N 3.11Å; I64-V67 WeakPolarHBondContact O-CG2 3.08Å; I64-V67 PolarHBondContact O-N 2.83Å; C65-V67 VanDerWaalsContact C-N 3.3Å; C65-V67 PolarHBondContact O-N 2.77Å
68	A	68.1	Low	81.6	Confident	24 Å²	24	46.9 Å²	46.9	20%	0.198	23%	0.233	C	C	.	.	S	Bend	trans	-81.7	124.8	-178.4	0	0	0	0	0	110.7	I64 C65 F70 C71 L85	I64-A68 WeakPolarHBondContact O-CB 3.23Å; I64-A68 PolarHBondContact O-N 2.82Å; C65-A68 PolarHBondContact O-N 3.16Å; C65-A68 VanDerWaalsContact O-N 3.07Å; A68-F70 PolarHBondContact O-N 2.91Å; A68-C71 HydrophobicContact CB-CB 3.99Å; A68-C71 PolarHBondContact O-N 3.42Å; A68-C71 VanDerWaalsContact O-N 3.16Å; A68-L85 HydrophobicContact CB-CD1 3.8Å
69	N	55.3	Low	81.2	Confident	122 Å²	122	51.9 Å²	51.9	65%	0.652	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	131.1	172.5	-73.7	-29.4	0	0	0	110	Y49 C71	Y49-N69 PolarHBondContact OH-O 3.09Å; N69-C71 VanDerWaalsContact C-N 3.27Å; N69-C71 PolarHBondContact O-N 3.22Å
70	F	58.9	Low	80.8	Confident	123 Å²	123	54 Å²	54	54%	0.539	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	-2.9	179.4	-39.5	-69.9	0	0	0	117	A68 R72 Y87 W400	A68-F70 PolarHBondContact O-N 2.91Å; F70-R72 PolarHBondContact O-N 2.97Å; F70-Y87 HydrophobicContact CB-CD1 3.76Å; F70-Y87 HydrophobicContact CB-CE1 3.67Å; F70-Y87 HydrophobicContact CG-CE1 4.26Å; F70-W400 HydrophobicContact CZ-CZ3 4.01Å
71	C	66.6	Low	80.7	Confident	22 Å²	22	55.9 Å²	55.9	15%	0.149	27%	0.271	C	S	.	.			trans	-68.3	126.6	175.1	-163.1	0	0	0	0	110.5	Y49 C65 A68 N69 S73	Y49-C71 WeakPolarHBondContact OH-CA 3.42Å; Y49-C71 WeakPolarHBondContact OH-CB 3.36Å; Y49-C71 PolarHBondContact OH-N 3.21Å; C65-C71 WeakPolarHBondContact CA-SG 3.33Å; C65-C71 HydrophobicContact CB-CB 4.03Å; C65-C71 WeakPolarHBondContact CB-SG 3.3Å; C65-C71 WeakPolarHBondContact O-CB 3.48Å; C65-C71 WeakPolarHBondContact SG-CB 3.4Å; C65-C71 CovalentContact SG-SG 2.04Å; C65-C71 PolarHBondContact SG-SG 3.04Å; A68-C71 HydrophobicContact CB-CB 3.99Å; A68-C71 PolarHBondContact O-N 3.42Å; A68-C71 VanDerWaalsContact O-N 3.16Å; N69-C71 VanDerWaalsContact C-N 3.27Å; N69-C71 PolarHBondContact O-N 3.22Å; C71-S73 PolarHBondContact SG-O 2.79Å
72	R	70.5	Confident	80.3	Confident	153 Å²	153	57.7 Å²	57.7	58%	0.577	28%	0.28	S	S	*	.			trans	-120.7	-18.6	173.8	-59.1	-165.6	-175.7	-102.1	1.5	113.1	F70 G86 Y87 T89	F70-R72 PolarHBondContact O-N 2.97Å; R72-G86 PolarHBondContact N-O 2.94Å; R72-Y87 WeakPolarHBondContact CB-O 3.38Å; R72-Y87 WeakPolarHBondContact CD-O 3.49Å; R72-Y87 VanDerWaalsContact CG-O 3.26Å; R72-Y87 WeakPolarHBondContact CG-O 3.34Å; R72-T89 VanDerWaalsContact CD-OG1 3.31Å; R72-T89 WeakPolarHBondContact CD-OG1 3.39Å
73	S	81.5	Confident	79.9	Confident	6 Å²	6	57.7 Å²	57.7	4%	0.042	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	162.9	174.1	53.8	0	0	0	0	110.4	C71 G86 A88 I115	C71-S73 PolarHBondContact SG-O 2.79Å; S73-G86 PolarHBondContact N-O 3.15Å; S73-G86 WeakPolarHBondContact O-CA 3.36Å; S73-G86 PolarHBondContact O-N 3Å; S73-A88 WeakPolarHBondContact CB-O 3.37Å; S73-A88 PolarHBondContact OG-O 3.35Å; S73-I115 CarbonylContact C-O 3.55Å; S73-I115 WeakPolarHBondContact CA-O 3.4Å; S73-I115 VanDerWaalsContact CB-O 3.28Å; S73-I115 WeakPolarHBondContact CB-O 3.48Å
74	A	85.8	Confident	79.5	Confident	2 Å²	2	56.5 Å²	56.5	2%	0.017	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	151	173.7	0	0	0	0	0	112.4	C65 K84 L85 L114 I115	C65-A74 HydrophobicContact CB-CB 4.12Å; A74-K84 CarbonylContact C-O 3.58Å; A74-K84 WeakPolarHBondContact CA-O 3.31Å; A74-K84 WeakPolarHBondContact CB-O 3.43Å; A74-L85 HydrophobicContact CB-CD2 4.16Å; A74-L114 CarbonylContact O-C 3.54Å; A74-L114 WeakPolarHBondContact O-CA 3.47Å; A74-I115 HydrophobicContact CB-CB 4.26Å; A74-I115 PolarHBondContact N-O 2.93Å; A74-I115 PolarHBondContact O-N 3.07Å
75	L	85.6	Confident	78.9	Confident	7 Å²	7	55.6 Å²	55.6	4%	0.037	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	118.4	170.4	-67.5	180	0	0	0	109.6	I38 Y46 C83 K84 T112 T113 L114	I38-L75 HydrophobicContact CD1-CD2 3.21Å; Y46-L75 HydrophobicContact CD2-CD2 4.48Å; Y46-L75 HydrophobicContact CG-CD1 4.26Å; Y46-L75 HydrophobicContact CG-CD2 4.31Å; L75-C83 CarbonylContact O-C 3.56Å; L75-C83 WeakPolarHBondContact O-CA 3.39Å; L75-K84 HydrophobicContact CB-CB 4.19Å; L75-K84 PolarHBondContact N-O 3.46Å; L75-K84 PolarHBondContact O-N 2.65Å; L75-T112 HydrophobicContact CB-CG2 3.7Å; L75-T112 HydrophobicContact CD1-CG2 4.44Å; L75-T112 HydrophobicContact CD2-CG2 4Å; L75-T112 HydrophobicContact CG-CG2 4.28Å; L75-T113 WeakPolarHBondContact CA-O 3.35Å; L75-L114 HydrophobicContact CD2-CB 4.32Å; L75-L114 HydrophobicContact CD2-CD1 3.64Å; L75-L114 HydrophobicContact CG-CD1 4.48Å
76	Y	90.9	Very high	77.6	Confident	14 Å²	14	55.7 Å²	55.7	6%	0.055	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	118	175	-179.3	-116.8	0	0	0	110.9	V55 D56 S57 L58 C61 A78 T112 T113	V55-Y76 HydrophobicContact CB-CE2 4.2Å; V55-Y76 HydrophobicContact CG1-CD2 4.24Å; V55-Y76 HydrophobicContact CG1-CE2 3.9Å; V55-Y76 WeakPolarHBondContact O-CE2 3.07Å; V55-Y76 PolarHBondContact O-OH 3.34Å; D56-Y76 VanDerWaalsContact C-OH 3.3Å; D56-Y76 PolarHBondContact O-OH 3.46Å; S57-Y76 VanDerWaalsContact C-CZ 3.49Å; S57-Y76 WeakPolarHBondContact CA-OH 3.46Å; S57-Y76 PolarHBondContact N-OH 3.13Å; L58-Y76 HydrophobicContact CB-CD1 3.64Å; L58-Y76 HydrophobicContact CB-CE1 3.88Å; L58-Y76 HydrophobicContact CB-CG 4.32Å; L58-Y76 HydrophobicContact CD1-CD1 4.15Å; L58-Y76 HydrophobicContact CG-CD1 4.09Å; C61-Y76 HydrophobicContact CB-CD2 3.76Å; C61-Y76 HydrophobicContact CB-CG 4.15Å; Y76-A78 HydrophobicContact CD1-CB 4.37Å; Y76-A78 HydrophobicContact CE1-CB 3.65Å; Y76-T112 CarbonylContact O-C 3.59Å; Y76-T112 WeakPolarHBondContact O-CA 3.21Å; Y76-T113 PolarHBondContact N-O 3.07Å; Y76-T113 PolarHBondContact O-N 2.95Å
77	D	85.6	Confident	75.9	Confident	14 Å²	14	58.4 Å²	58.4	8%	0.075	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	105.5	170.7	-176	-28.4	0	0	0	108.3	E79 K80 K81 I82	D77-E79 PolarHBondContact OD1-N 3.09Å; D77-E79 VanDerWaalsContact OD1-N 3.1Å; D77-K80 HydrophobicContact CB-CB 4.25Å; D77-K80 PolarHBondContact OD1-N 3.48Å; D77-K80 WeakPolarHBondContact OD2-CD 3.47Å; D77-K80 VanDerWaalsContact OD2-CG 3.3Å; D77-K80 WeakPolarHBondContact OD2-CG 3.35Å; D77-K80 IonicContact OD2-NZ 2.82Å; D77-K80 PolarHBondContact OD2-NZ 3.46Å; D77-K81 WeakPolarHBondContact O-CA 3.49Å; D77-K81 PolarHBondContact O-N 3.37Å; D77-I82 PolarHBondContact N-O 3.19Å; D77-I82 PolarHBondContact O-N 3.42Å; D77-I82 VanDerWaalsContact O-N 3.07Å
78	A	86.2	Confident	74.4	Confident	58 Å²	58	57.2 Å²	57.2	48%	0.479	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-31.9	-177.1	0	0	0	0	0	113.1	Y76	Y76-A78 HydrophobicContact CD1-CB 4.37Å; Y76-A78 HydrophobicContact CE1-CB 3.65Å
79	E	83.3	Confident	73.9	Confident	140 Å²	140	59.5 Å²	59.5	65%	0.654	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-42.6	178.3	-67.7	-173	168.3	0	0	110.8	D77 K81 T110	D77-E79 PolarHBondContact OD1-N 3.09Å; D77-E79 VanDerWaalsContact OD1-N 3.1Å; E79-K81 VanDerWaalsContact C-N 3.34Å; E79-T110 WeakPolarHBondContact OE1-CG2 3.17Å
80	K	84	Confident	74.2	Confident	129 Å²	129	56 Å²	56	56%	0.561	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-10.4	178.6	-59.7	-168.3	-169.2	83.4	0	113.4	D77 I82	D77-K80 HydrophobicContact CB-CB 4.25Å; D77-K80 PolarHBondContact OD1-N 3.48Å; D77-K80 WeakPolarHBondContact OD2-CD 3.47Å; D77-K80 VanDerWaalsContact OD2-CG 3.3Å; D77-K80 WeakPolarHBondContact OD2-CG 3.35Å; D77-K80 IonicContact OD2-NZ 2.82Å; D77-K80 PolarHBondContact OD2-NZ 3.46Å; K80-I82 HydrophobicContact CB-CB 4.22Å; K80-I82 HydrophobicContact CB-CD1 3.74Å; K80-I82 HydrophobicContact CB-CG1 3.91Å; K80-I82 HydrophobicContact CD-CD1 4.2Å; K80-I82 WeakPolarHBondContact O-CG1 2.99Å; K80-I82 PolarHBondContact O-N 3.18Å
81	K	88.2	Confident	74.6	Confident	97 Å²	97	55.9 Å²	55.9	42%	0.422	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	43.3	-169.6	-61.4	-172.5	172	-162.9	0	112	S53 E54 V55 D56 D77 E79	S53-K81 CarbonylContact C-O 3.41Å; E54-K81 PolarHBondContact N-O 3.04Å; V55-K81 PolarHBondContact N-O 2.8Å; V55-K81 WeakPolarHBondContact O-CA 3.47Å; V55-K81 WeakPolarHBondContact O-CB 3.36Å; D56-K81 WeakPolarHBondContact OD1-CE 3.34Å; D56-K81 IonicContact OD1-NZ 3.5Å; D56-K81 PolarHBondContact OD1-NZ 3.07Å; D77-K81 WeakPolarHBondContact O-CA 3.49Å; D77-K81 PolarHBondContact O-N 3.37Å; E79-K81 VanDerWaalsContact C-N 3.34Å
82	I	82.5	Confident	74.6	Confident	39 Å²	39	59.5 Å²	59.5	20%	0.2	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	135.7	-176.8	-70.8	173.2	0	0	0	109.8	V51 A52 D77 K80 K84	V51-I82 HydrophobicContact CG1-CG2 3.4Å; A52-I82 CarbonylContact O-C 3.55Å; A52-I82 WeakPolarHBondContact O-CA 3.25Å; D77-I82 PolarHBondContact N-O 3.19Å; D77-I82 PolarHBondContact O-N 3.42Å; D77-I82 VanDerWaalsContact O-N 3.07Å; K80-I82 HydrophobicContact CB-CB 4.22Å; K80-I82 HydrophobicContact CB-CD1 3.74Å; K80-I82 HydrophobicContact CB-CG1 3.91Å; K80-I82 HydrophobicContact CD-CD1 4.2Å; K80-I82 WeakPolarHBondContact O-CG1 2.99Å; K80-I82 PolarHBondContact O-N 3.18Å; I82-K84 HydrophobicContact CG2-CG 3.95Å
83	C	83.6	Confident	74.7	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	113.6	171.2	-178.2	0	0	0	0	109.7	V51 A52 V55 C61 L75	V51-C83 CarbonylContact C-O 3.59Å; V51-C83 WeakPolarHBondContact CA-O 3.41Å; A52-C83 HydrophobicContact CB-CB 4.24Å; A52-C83 PolarHBondContact N-O 2.83Å; A52-C83 PolarHBondContact O-N 2.83Å; V55-C83 HydrophobicContact CB-CB 4.15Å; V55-C83 HydrophobicContact CG1-CB 4.18Å; V55-C83 HydrophobicContact CG2-CB 3.7Å; C61-C83 WeakPolarHBondContact CA-SG 3.48Å; C61-C83 HydrophobicContact CB-CB 3.63Å; C61-C83 WeakPolarHBondContact CB-SG 3.48Å; C61-C83 WeakPolarHBondContact SG-CB 3.38Å; C61-C83 CovalentContact SG-SG 2.03Å; C61-C83 PolarHBondContact SG-SG 2.91Å; L75-C83 CarbonylContact O-C 3.56Å; L75-C83 WeakPolarHBondContact O-CA 3.39Å
84	K	78.9	Confident	73.8	Confident	53 Å²	53	59.8 Å²	59.8	23%	0.23	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	126.1	176.6	-50.4	179.2	179.1	174.3	0	109.7	F48 G50 V51 A74 L75 I82	F48-K84 HydrophobicContact CB-CB 3.84Å; F48-K84 HydrophobicContact CD1-CB 4.32Å; F48-K84 HydrophobicContact CD1-CD 3.89Å; F48-K84 HydrophobicContact CD2-CB 4.24Å; F48-K84 HydrophobicContact CD2-CD 4.27Å; F48-K84 HydrophobicContact CE1-CD 3.93Å; F48-K84 HydrophobicContact CE2-CD 4.3Å; F48-K84 HydrophobicContact CG-CB 3.87Å; F48-K84 HydrophobicContact CG-CD 4.09Å; F48-K84 HydrophobicContact CG-CG 4.46Å; F48-K84 HydrophobicContact CZ-CD 4.14Å; G50-K84 CarbonylContact O-C 3.52Å; G50-K84 WeakPolarHBondContact O-CA 3.39Å; V51-K84 HydrophobicContact CG1-CG 4.43Å; V51-K84 HydrophobicContact CG2-CG 4.27Å; A74-K84 CarbonylContact C-O 3.58Å; A74-K84 WeakPolarHBondContact CA-O 3.31Å; A74-K84 WeakPolarHBondContact CB-O 3.43Å; L75-K84 HydrophobicContact CB-CB 4.19Å; L75-K84 PolarHBondContact N-O 3.46Å; L75-K84 PolarHBondContact O-N 2.65Å; I82-K84 HydrophobicContact CG2-CG 3.95Å
85	L	73.8	Confident	72.4	Confident	14 Å²	14	63.9 Å²	63.9	7%	0.073	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	126.4	-173.7	-52.6	179.8	0	0	0	111.1	F48 Y49 G50 I64 C65 A68 A74	F48-L85 CarbonylContact C-O 3.47Å; F48-L85 WeakPolarHBondContact CA-O 3.12Å; F48-L85 VanDerWaalsContact CB-O 3.32Å; F48-L85 WeakPolarHBondContact CB-O 3.41Å; Y49-L85 WeakPolarHBondContact CD1-O 3.45Å; Y49-L85 HydrophobicContact CE1-CB 3.93Å; Y49-L85 HydrophobicContact CE2-CB 4.37Å; Y49-L85 PolarHBondContact N-O 3.21Å; G50-L85 PolarHBondContact N-O 3.39Å; G50-L85 PolarHBondContact O-N 3.38Å; I64-L85 HydrophobicContact CG2-CD1 4.18Å; I64-L85 HydrophobicContact CG2-CD2 4.08Å; C65-L85 HydrophobicContact CB-CD2 4.05Å; A68-L85 HydrophobicContact CB-CD1 3.8Å; A74-L85 HydrophobicContact CB-CD2 4.16Å
86	G	57.5	Low	70.6	Confident	2 Å²	2	71.7 Å²	71.7	2%	0.021	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	148.1	-176.8	0	0	0	0	0	113.9	L47 R72 S73	L47-G86 WeakPolarHBondContact O-CA 3.44Å; R72-G86 PolarHBondContact N-O 2.94Å; S73-G86 PolarHBondContact N-O 3.15Å; S73-G86 WeakPolarHBondContact O-CA 3.36Å; S73-G86 PolarHBondContact O-N 3Å
87	Y	49	Very low	68.5	Low	129 Å²	129	74.8 Å²	74.8	51%	0.506	40%	0.399	S	S	.	.	S	Bend	trans	-78.4	-27.7	176	-73.8	-62.2	0	0	0	113.5	Y49 F70 R72	Y49-Y87 VanDerWaalsContact CB-CZ 3.43Å; Y49-Y87 WeakPolarHBondContact CB-OH 3.19Å; Y49-Y87 AromaticContact CD1-CD1 3.69Å; Y49-Y87 HydrophobicContact CD1-CD1 3.69Å; Y49-Y87 AromaticContact CD1-CD2 3.79Å; Y49-Y87 HydrophobicContact CD1-CD2 3.79Å; Y49-Y87 AromaticContact CD1-CE1 3.6Å; Y49-Y87 HydrophobicContact CD1-CE1 3.6Å; Y49-Y87 AromaticContact CD1-CE2 3.73Å; Y49-Y87 HydrophobicContact CD1-CE2 3.73Å; Y49-Y87 AromaticContact CD1-CG 3.77Å; Y49-Y87 HydrophobicContact CD1-CG 3.77Å; Y49-Y87 AromaticContact CD1-CZ 3.6Å; Y49-Y87 HydrophobicContact CD2-CE1 4.41Å; Y49-Y87 AromaticContact CE1-CD1 3.96Å; Y49-Y87 HydrophobicContact CE1-CD1 3.96Å; Y49-Y87 AromaticContact CE1-CE1 3.98Å; Y49-Y87 HydrophobicContact CE1-CE1 3.98Å; Y49-Y87 HydrophobicContact CE1-CG 4.36Å; Y49-Y87 HydrophobicContact CG-CD1 4.39Å; Y49-Y87 HydrophobicContact CG-CD2 4.21Å; Y49-Y87 AromaticContact CG-CE1 3.85Å; Y49-Y87 HydrophobicContact CG-CE1 3.85Å; Y49-Y87 AromaticContact CG-CE2 3.68Å; Y49-Y87 HydrophobicContact CG-CE2 3.68Å; Y49-Y87 AromaticContact CG-CZ 3.44Å; Y49-Y87 VanDerWaalsContact CG-CZ 3.44Å; F70-Y87 HydrophobicContact CB-CD1 3.76Å; F70-Y87 HydrophobicContact CB-CE1 3.67Å; F70-Y87 HydrophobicContact CG-CE1 4.26Å; R72-Y87 WeakPolarHBondContact CB-O 3.38Å; R72-Y87 WeakPolarHBondContact CD-O 3.49Å; R72-Y87 VanDerWaalsContact CG-O 3.26Å; R72-Y87 WeakPolarHBondContact CG-O 3.34Å
88	A	47.3	Very low	66.3	Low	54 Å²	54	82.2 Å²	82.2	45%	0.446	43%	0.433	S	S	.	.	S	Bend	trans	-90.3	135.2	-167.4	0	0	0	0	0	111.4	S73 V90	S73-A88 WeakPolarHBondContact CB-O 3.37Å; S73-A88 PolarHBondContact OG-O 3.35Å; A88-V90 PolarHBondContact O-N 3.32Å
89	T	56.4	Low	64.2	Low	71 Å²	71	84.7 Å²	84.7	44%	0.436	44%	0.444	S	S	.	.			trans	-72.5	111	159.2	-29.2	0	0	0	0	106.8	R72 R91	R72-T89 VanDerWaalsContact CD-OG1 3.31Å; R72-T89 WeakPolarHBondContact CD-OG1 3.39Å; T89-R91 VanDerWaalsContact C-N 3.29Å; T89-R91 VanDerWaalsContact CG2-O 3.26Å; T89-R91 WeakPolarHBondContact CG2-O 3.46Å; T89-R91 PolarHBondContact O-N 3.09Å
90	V	62.5	Low	62.1	Low	49 Å²	49	82.6 Å²	82.6	30%	0.297	44%	0.441	S	S	.	.			trans	-75.2	-23.3	-175.9	-172	0	0	0	0	111.5	Y46 A88 L114	Y46-V90 HydrophobicContact CD1-CG2 4.18Å; Y46-V90 HydrophobicContact CE1-CG1 3.74Å; Y46-V90 HydrophobicContact CE1-CG2 3.95Å; A88-V90 PolarHBondContact O-N 3.32Å; V90-L114 HydrophobicContact CB-CD2 4.09Å; V90-L114 HydrophobicContact CG1-CD2 3.92Å; V90-L114 HydrophobicContact CG2-CD1 4.22Å; V90-L114 HydrophobicContact CG2-CD2 4.11Å
91	R	66.6	Low	59.6	Low	120 Å²	120	80.2 Å²	80.2	45%	0.453	45%	0.445	S	S	.	.	S	Bend	trans	-138.9	159.7	-175.1	-59	-66.4	-169.4	163.5	5.9	111.3	E36 T89 C93 F116	E36-R91 IonicContact OE1-NH2 3.22Å; E36-R91 PolarHBondContact OE1-NH2 2.87Å; E36-R91 IonicContact OE2-CZ 3.95Å; E36-R91 IonicContact OE2-NE 2.73Å; E36-R91 IonicContact OE2-NH2 3.96Å; E36-R91 PolarHBondContact OE2-NH2 2.95Å; T89-R91 VanDerWaalsContact C-N 3.29Å; T89-R91 VanDerWaalsContact CG2-O 3.26Å; T89-R91 WeakPolarHBondContact CG2-O 3.46Å; T89-R91 PolarHBondContact O-N 3.09Å; R91-C93 PolarHBondContact O-N 2.62Å; R91-F116 HydrophobicContact CB-CD2 3.72Å; R91-F116 HydrophobicContact CB-CE2 3.71Å; R91-F116 HydrophobicContact CG-CD2 3.8Å; R91-F116 HydrophobicContact CG-CE2 3.6Å; R91-F116 HydrophobicContact CG-CG 4.49Å; R91-F116 HydrophobicContact CG-CZ 4.12Å
92	D	67.4	Low	57	Low	99 Å²	99	80.4 Å²	80.4	53%	0.529	45%	0.454	S	S	.	.			trans	-75.1	115.2	169.4	-174.7	1.3	0	0	0	110	S94	D92-S94 VanDerWaalsContact C-N 3.27Å; D92-S94 PolarHBondContact O-N 3.19Å; D92-S94 WeakPolarHBondContact OD1-CB 3.27Å; D92-S94 PolarHBondContact OD1-N 3Å; D92-S94 PolarHBondContact OD1-OG 3.34Å
93	C	71.7	Confident	54.5	Low	60 Å²	60	86 Å²	86	41%	0.405	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	0.5	-179.1	-57.2	0	0	0	0	113.6	R91 V95 C117	R91-C93 PolarHBondContact O-N 2.62Å; C93-V95 VanDerWaalsContact C-N 3.33Å; C93-C117 WeakPolarHBondContact CA-SG 3.35Å; C93-C117 HydrophobicContact CB-CB 3.72Å; C93-C117 WeakPolarHBondContact CB-SG 3.35Å; C93-C117 WeakPolarHBondContact SG-CA 3.02Å; C93-C117 WeakPolarHBondContact SG-CB 3.1Å; C93-C117 CovalentContact SG-SG 2.03Å; C93-C117 PolarHBondContact SG-SG 3.31Å
94	S	63.5	Low	51.9	Low	105 Å²	105	93 Å²	93	73%	0.734	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-17.7	178	-38.5	0	0	0	0	112.3	D92	D92-S94 VanDerWaalsContact C-N 3.27Å; D92-S94 PolarHBondContact O-N 3.19Å; D92-S94 WeakPolarHBondContact OD1-CB 3.27Å; D92-S94 PolarHBondContact OD1-N 3Å; D92-S94 PolarHBondContact OD1-OG 3.34Å
95	V	55.6	Low	49.6	Very low	88 Å²	88	95 Å²	95	53%	0.533	53%	0.533	S	S	.	.	S	Bend	trans	-81.2	126.7	175.6	-172	0	0	0	0	107.6	C93 I97	C93-V95 VanDerWaalsContact C-N 3.33Å; V95-I97 HydrophobicContact CB-CG1 4.5Å; V95-I97 PolarHBondContact O-N 2.99Å
96	N	47.2	Very low	47.6	Very low	170 Å²	170	102.5 Å²	102.5	91%	0.909	57%	0.574	S	S	*	*			trans	-62.5	83.4	170.1	-79.8	-25.3	0	0	0	109.1	E98	N96-E98 PolarHBondContact O-N 3.39Å
97	I	46.6	Very low	46.3	Very low	79 Å²	79	109.8 Å²	109.8	41%	0.405	61%	0.607	S	S	.	*			trans	-76.2	117	165.5	-59.8	170.2	0	0	0	104.2	V95 P99 F116	V95-I97 HydrophobicContact CB-CG1 4.5Å; V95-I97 PolarHBondContact O-N 2.99Å; I97-P99 WeakPolarHBondContact O-CD 3.26Å; I97-P99 VanDerWaalsContact O-N 3.14Å; I97-F116 HydrophobicContact CD1-CE2 4.14Å
98	E	41.4	Very low	45.6	Very low	171 Å²	171	113.8 Å²	113.8	80%	0.799	63%	0.631	S	S	*	*			trans	-50.8	125	172.4	-78.4	-175.3	164.1	0	0	108.1	N96 T100	N96-E98 PolarHBondContact O-N 3.39Å; E98-T100 PolarHBondContact O-N 2.9Å
99	P	40.8	Very low	45.4	Very low	109 Å²	109	114.9 Å²	114.9	71%	0.708	64%	0.635	S	S	*	*			trans	-57.1	109.1	173.7	-15.6	26.5	0	0	0	105.8	I97 A101	I97-P99 WeakPolarHBondContact O-CD 3.26Å; I97-P99 VanDerWaalsContact O-N 3.14Å; P99-A101 PolarHBondContact O-N 2.96Å
100	T	38.9	Very low	45.2	Very low	96 Å²	96	116.5 Å²	116.5	59%	0.589	65%	0.645	S	S	*	*			trans	-60.3	108.8	-179.1	-34.1	0	0	0	0	105.4	E98 V102	E98-T100 PolarHBondContact O-N 2.9Å; T100-V102 PolarHBondContact O-N 3.34Å; T100-V102 VanDerWaalsContact O-N 3.15Å
101	A	31.9	Very low	45.3	Very low	79 Å²	79	115.8 Å²	115.8	65%	0.653	64%	0.642	S	S	*	*			trans	-51.2	127.4	-179.8	0	0	0	0	0	107.3	P99 H103	P99-A101 PolarHBondContact O-N 2.96Å; A101-H103 VanDerWaalsContact C-N 3.32Å; A101-H103 PolarHBondContact O-N 2.95Å
102	V	34.1	Very low	46	Very low	101 Å²	101	110.3 Å²	110.3	61%	0.612	62%	0.622	S	S	*	*			trans	-51.2	96.4	-177.9	-179.8	0	0	0	0	108.5	T100 N104	T100-V102 PolarHBondContact O-N 3.34Å; T100-V102 VanDerWaalsContact O-N 3.15Å; V102-N104 VanDerWaalsContact C-N 3.32Å; V102-N104 WeakPolarHBondContact CG1-OD1 3.17Å; V102-N104 PolarHBondContact O-N 2.97Å
103	H	29.2	Very low	47.1	Very low	158 Å²	158	106.7 Å²	106.7	73%	0.731	60%	0.603	S	S	*	*			trans	-73.6	99.1	162.6	-90.8	-69.5	0	0	0	105.3	A101 T105	A101-H103 VanDerWaalsContact C-N 3.32Å; A101-H103 PolarHBondContact O-N 2.95Å; H103-T105 HydrophobicContact CB-CG2 4.49Å; H103-T105 PolarHBondContact O-N 2.81Å; H103-T105 PolarHBondContact O-OG1 2.52Å
104	N	30.3	Very low	47.9	Very low	146 Å²	146	103.9 Å²	103.9	78%	0.781	58%	0.584	S	S	*	*			trans	-62.6	76.4	158.9	-77.4	-14.4	0	0	0	107.7	V102	V102-N104 VanDerWaalsContact C-N 3.32Å; V102-N104 WeakPolarHBondContact CG1-OD1 3.17Å; V102-N104 PolarHBondContact O-N 2.97Å
105	T	29.3	Very low	49.2	Very low	94 Å²	94	98.9 Å²	98.9	58%	0.577	55%	0.549	S	S	*	.			trans	-98.4	94.6	167.1	34.1	0	0	0	0	107.7	H103 Q107	H103-T105 HydrophobicContact CB-CG2 4.49Å; H103-T105 PolarHBondContact O-N 2.81Å; H103-T105 PolarHBondContact O-OG1 2.52Å; T105-Q107 PolarHBondContact O-N 2.67Å
106	D	32.4	Very low	50.7	Low	172 Å²	172	95.1 Å²	95.1	92%	0.92	53%	0.526	S	S	*	.			trans	-65.2	55.1	157.9	-80.5	-38.9	0	0	0	110.2
107	Q	30.4	Very low	52.4	Low	156 Å²	156	88.3 Å²	88.3	73%	0.729	49%	0.491	S	S	*	.			trans	-113.6	118.6	170	-76	-174.5	-13.1	0	0	107.9	T105 S109	T105-Q107 PolarHBondContact O-N 2.67Å; Q107-S109 VanDerWaalsContact C-N 3.34Å; Q107-S109 PolarHBondContact O-N 2.99Å
108	Q	34.2	Very low	54.2	Low	213 Å²	213	86 Å²	86	100%	0.995	48%	0.481	S	S	*	.			trans	-43	92.1	176	-75.9	157.5	-37.5	0	0	111.2
109	S	43.7	Very low	56.2	Low	77 Å²	77	80.7 Å²	80.7	54%	0.538	46%	0.462	S	S	.	.			trans	-126.8	122.1	163.3	76.8	0	0	0	0	106.5	Q107 S111	Q107-S109 VanDerWaalsContact C-N 3.34Å; Q107-S109 PolarHBondContact O-N 2.99Å; S109-S111 PolarHBondContact O-N 2.89Å; S109-S111 PolarHBondContact OG-OG 2.04Å
110	T	50.8	Low	58.2	Low	105 Å²	105	76.6 Å²	76.6	64%	0.644	44%	0.436	S	S	*	.			trans	-69.1	31	178.1	47.8	0	0	0	0	112.1	E79	E79-T110 WeakPolarHBondContact OE1-CG2 3.17Å
111	S	66.1	Low	60	Low	33 Å²	33	75.4 Å²	75.4	23%	0.231	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-91.3	127	-170.3	66.1	0	0	0	0	110.9	S109	S109-S111 PolarHBondContact O-N 2.89Å; S109-S111 PolarHBondContact OG-OG 2.04Å
112	T	80.6	Confident	61.4	Low	5 Å²	5	76.5 Å²	76.5	3%	0.031	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	135.3	168.8	-70.5	0	0	0	0	108.2	I38 Q43 L75 Y76	I38-T112 WeakPolarHBondContact CB-O 3.42Å; I38-T112 PolarHBondContact N-O 2.92Å; Q43-T112 HydrophobicContact CG-CG2 4.38Å; Q43-T112 VanDerWaalsContact NE2-CB 3.31Å; Q43-T112 PolarHBondContact NE2-OG1 3.13Å; Q43-T112 PolarHBondContact OE1-OG1 3.21Å; L75-T112 HydrophobicContact CB-CG2 3.7Å; L75-T112 HydrophobicContact CD1-CG2 4.44Å; L75-T112 HydrophobicContact CD2-CG2 4Å; L75-T112 HydrophobicContact CG-CG2 4.28Å; Y76-T112 CarbonylContact O-C 3.59Å; Y76-T112 WeakPolarHBondContact O-CA 3.21Å
113	T	90.1	Very high	62	Low	23 Å²	23	76.4 Å²	76.4	14%	0.141	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	125.3	-178.8	-44.2	0	0	0	0	110.8	T35 L58 L75 Y76	T35-T113 HydrophobicContact CG2-CG2 4.19Å; L58-T113 HydrophobicContact CD1-CG2 3.43Å; L58-T113 VanDerWaalsContact CD1-CG2 3.43Å; L75-T113 WeakPolarHBondContact CA-O 3.35Å; Y76-T113 PolarHBondContact N-O 3.07Å; Y76-T113 PolarHBondContact O-N 2.95Å
114	L	88.6	Confident	62.6	Low	1 Å²	1	71.3 Å²	71.3	1%	0.005	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	135	166.8	-169	60.5	0	0	0	109.9	T35 E36 I38 Y46 A74 L75 V90 F116	T35-L114 CarbonylContact C-O 3.59Å; T35-L114 WeakPolarHBondContact CA-O 3.31Å; E36-L114 HydrophobicContact CB-CB 4.44Å; E36-L114 PolarHBondContact N-O 2.89Å; E36-L114 PolarHBondContact O-N 3.41Å; I38-L114 HydrophobicContact CD1-CB 3.52Å; I38-L114 HydrophobicContact CD1-CD1 4.1Å; I38-L114 HydrophobicContact CD1-CD2 4.34Å; I38-L114 HydrophobicContact CD1-CG 4.17Å; I38-L114 HydrophobicContact CG1-CB 4.07Å; Y46-L114 HydrophobicContact CD1-CD1 3.9Å; Y46-L114 HydrophobicContact CE1-CD1 3.74Å; Y46-L114 HydrophobicContact CE1-CD2 3.74Å; Y46-L114 HydrophobicContact CE1-CG 4.37Å; A74-L114 CarbonylContact O-C 3.54Å; A74-L114 WeakPolarHBondContact O-CA 3.47Å; L75-L114 HydrophobicContact CD2-CB 4.32Å; L75-L114 HydrophobicContact CD2-CD1 3.64Å; L75-L114 HydrophobicContact CG-CD1 4.48Å; V90-L114 HydrophobicContact CB-CD2 4.09Å; V90-L114 HydrophobicContact CG1-CD2 3.92Å; V90-L114 HydrophobicContact CG2-CD1 4.22Å; V90-L114 HydrophobicContact CG2-CD2 4.11Å; L114-F116 HydrophobicContact CD2-CD1 3.92Å; L114-F116 HydrophobicContact CD2-CE1 4.47Å; L114-F116 HydrophobicContact CG-CD1 3.96Å
115	I	90.9	Very high	63	Low	0 Å²	0	69.3 Å²	69.3	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	128.6	169.7	-54.9	179.2	0	0	0	106.7	F33 A34 L58 C61 A62 S73 A74 V118	F33-I115 HydrophobicContact CB-CG2 3.94Å; F33-I115 HydrophobicContact CD2-CG2 3.95Å; F33-I115 HydrophobicContact CG-CG2 4.04Å; A34-I115 WeakPolarHBondContact O-CA 3.3Å; L58-I115 HydrophobicContact CD2-CD1 4.24Å; L58-I115 HydrophobicContact CD2-CG1 4.44Å; L58-I115 HydrophobicContact CG-CD1 3.99Å; L58-I115 HydrophobicContact CG-CG1 4.31Å; L58-I115 WeakPolarHBondContact O-CD1 3.48Å; C61-I115 HydrophobicContact CB-CD1 3.67Å; C61-I115 VanDerWaalsContact SG-CD1 3.54Å; A62-I115 HydrophobicContact CB-CD1 4.12Å; A62-I115 HydrophobicContact CB-CG2 3.9Å; S73-I115 CarbonylContact C-O 3.55Å; S73-I115 WeakPolarHBondContact CA-O 3.4Å; S73-I115 VanDerWaalsContact CB-O 3.28Å; S73-I115 WeakPolarHBondContact CB-O 3.48Å; A74-I115 HydrophobicContact CB-CB 4.26Å; A74-I115 PolarHBondContact N-O 2.93Å; A74-I115 PolarHBondContact O-N 3.07Å; I115-V118 HydrophobicContact CG2-CG2 3.76Å
116	F	86.9	Confident	63.3	Low	10 Å²	10	74.1 Å²	74.1	4%	0.044	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	171.7	178.5	62.8	-79.3	0	0	0	110.2	A34 E36 R91 I97 L114 V118	A34-F116 HydrophobicContact CB-CD1 4.33Å; A34-F116 HydrophobicContact CB-CD2 4.08Å; A34-F116 HydrophobicContact CB-CE1 3.9Å; A34-F116 HydrophobicContact CB-CE2 3.61Å; A34-F116 HydrophobicContact CB-CG 4.41Å; A34-F116 HydrophobicContact CB-CZ 3.51Å; A34-F116 PolarHBondContact N-O 3.34Å; A34-F116 PolarHBondContact O-N 3.47Å; E36-F116 HydrophobicContact CB-CE1 4.09Å; R91-F116 HydrophobicContact CB-CD2 3.72Å; R91-F116 HydrophobicContact CB-CE2 3.71Å; R91-F116 HydrophobicContact CG-CD2 3.8Å; R91-F116 HydrophobicContact CG-CE2 3.6Å; R91-F116 HydrophobicContact CG-CG 4.49Å; R91-F116 HydrophobicContact CG-CZ 4.12Å; I97-F116 HydrophobicContact CD1-CE2 4.14Å; L114-F116 HydrophobicContact CD2-CD1 3.92Å; L114-F116 HydrophobicContact CD2-CE1 4.47Å; L114-F116 HydrophobicContact CG-CD1 3.96Å; F116-V118 PolarHBondContact O-N 2.97Å
117	C	83.8	Confident	63.1	Low	26 Å²	26	76.4 Å²	76.4	18%	0.176	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	54.4	39.5	-174.7	-57.8	0	0	0	0	113.9	A34 C93 S119	A34-C117 HydrophobicContact CB-CB 4.49Å; C93-C117 WeakPolarHBondContact CA-SG 3.35Å; C93-C117 HydrophobicContact CB-CB 3.72Å; C93-C117 WeakPolarHBondContact CB-SG 3.35Å; C93-C117 WeakPolarHBondContact SG-CA 3.02Å; C93-C117 WeakPolarHBondContact SG-CB 3.1Å; C93-C117 CovalentContact SG-SG 2.03Å; C93-C117 PolarHBondContact SG-SG 3.31Å; C117-S119 PolarHBondContact O-N 3.32Å
118	V	83.8	Confident	63.2	Low	32 Å²	32	74.4 Å²	74.4	19%	0.194	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	118.4	179.5	-167.6	0	0	0	0	109.3	L31 H32 F33 Y66 I115 F116	L31-V118 HydrophobicContact CD1-CG1 3.9Å; H32-V118 CarbonylContact O-C 3.59Å; H32-V118 WeakPolarHBondContact O-CA 3.41Å; F33-V118 HydrophobicContact CB-CB 4.49Å; F33-V118 HydrophobicContact CB-CG2 4.09Å; Y66-V118 HydrophobicContact CD2-CG1 4.15Å; Y66-V118 HydrophobicContact CG-CG1 4.44Å; I115-V118 HydrophobicContact CG2-CG2 3.76Å; F116-V118 PolarHBondContact O-N 2.97Å
119	S	82.7	Confident	63.2	Low	59 Å²	59	71.6 Å²	71.6	41%	0.413	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	158.7	-179.2	58	0	0	0	0	110.3	H32 C117	H32-S119 PolarHBondContact N-O 3.44Å; H32-S119 PolarHBondContact O-N 3.41Å; H32-S119 VanDerWaalsContact O-O 3.09Å; H32-S119 PolarHBondContact O-OG 3.03Å; C117-S119 PolarHBondContact O-N 3.32Å
120	C	83	Confident	62.4	Low	23 Å²	23	76.4 Å²	76.4	16%	0.155	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.5	173.2	-167.4	0	0	0	0	109.1	C26 N30 Y66 D122	C26-C120 WeakPolarHBondContact CA-SG 3.49Å; C26-C120 HydrophobicContact CB-CB 3.74Å; C26-C120 WeakPolarHBondContact CB-SG 3.3Å; C26-C120 WeakPolarHBondContact SG-CB 3.44Å; C26-C120 CovalentContact SG-SG 2.02Å; C26-C120 PolarHBondContact SG-SG 3.38Å; N30-C120 WeakPolarHBondContact O-CA 3.5Å; Y66-C120 HydrophobicContact CD2-CB 4.43Å; Y66-C120 HydrophobicContact CE1-CB 4.23Å; Y66-C120 HydrophobicContact CE2-CB 3.56Å; Y66-C120 VanDerWaalsContact CZ-CB 3.43Å; Y66-C120 VanDerWaalsContact OH-CB 3.26Å; Y66-C120 WeakPolarHBondContact OH-CB 3.48Å; C120-D122 PolarHBondContact O-N 2.99Å
121	D	78.1	Confident	61	Low	71 Å²	71	79.3 Å²	79.3	38%	0.38	43%	0.432	S	S	.	.			trans	-90.5	104.2	177.2	-154.8	-14.8	0	0	0	110.4	N30 T123	N30-D121 PolarHBondContact ND2-O 3.15Å; N30-D121 PolarHBondContact O-N 2.95Å; D121-T123 PolarHBondContact O-N 3.15Å; D121-T123 PolarHBondContact OD1-N 2.85Å; D121-T123 PolarHBondContact OD1-OG1 2.58Å
122	D	60.4	Low	59.1	Low	101 Å²	101	83 Å²	83	54%	0.54	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-74.4	-12.7	178.4	-70.5	-32.1	0	0	0	112.3	C120	C120-D122 PolarHBondContact O-N 2.99Å
123	T	46.7	Very low	56.6	Low	99 Å²	99	88.3 Å²	88.3	61%	0.607	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-82	-17.6	-172.1	65.5	0	0	0	0	114.6	D121 S125 K126	D121-T123 PolarHBondContact O-N 3.15Å; D121-T123 PolarHBondContact OD1-N 2.85Å; D121-T123 PolarHBondContact OD1-OG1 2.58Å; T123-S125 PolarHBondContact O-N 3.36Å; T123-K126 PolarHBondContact O-N 2.94Å
124	A	41.5	Very low	53.4	Low	52 Å²	52	91.9 Å²	91.9	43%	0.43	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-67.1	-24.1	174.2	0	0	0	0	0	112.8	K126 R127	A124-K126 PolarHBondContact O-N 3.35Å; A124-R127 PolarHBondContact O-N 3.01Å
125	S	40.1	Very low	50.4	Low	104 Å²	104	97.7 Å²	97.7	73%	0.727	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-73.2	-2.7	176	-159.2	0	0	0	0	113.7	T123	T123-S125 PolarHBondContact O-N 3.36Å
126	K	34.1	Very low	47	Very low	194 Å²	194	103.2 Å²	103.2	84%	0.843	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-116.6	6	176.3	-72.9	-172.6	178.2	178	0	115.1	T123 A124	T123-K126 PolarHBondContact O-N 2.94Å; A124-K126 PolarHBondContact O-N 3.35Å
127	R	29.7	Very low	44.1	Very low	221 Å²	221	109.7 Å²	109.7	83%	0.834	64%	0.636	S	S	*	*	S	Bend	trans	-140.2	24.3	-176.6	-96.5	-171.8	-177.6	-174	1.2	117.4	A124	A124-R127 PolarHBondContact O-N 3.01Å
128	S	32.4	Very low	41	Very low	113 Å²	113	114.9 Å²	114.9	79%	0.79	66%	0.658	S	S	*	*			trans	-104	49.3	158.8	-154.7	0	0	0	0	111.4
129	D	33.2	Very low	38.2	Very low	154 Å²	154	121 Å²	121	82%	0.824	69%	0.689	S	S	*	*	S	Bend	trans	-132.4	71.8	156.3	-87.2	-36.3	0	0	0	105.9
130	Q	26.9	Very low	35.2	Very low	179 Å²	179	126 Å²	126	84%	0.836	70%	0.704	S	S	*	*			trans	-175.6	86	161.3	-102.9	157.5	26.5	0	0	110
131	L	22.4	Very low	32.3	Very low	165 Å²	165	131.8 Å²	131.8	86%	0.864	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-73	134.5	160.2	-167.5	84.8	0	0	0	109
132	P	25.6	Very low	29.6	Very low	110 Å²	110	135 Å²	135	71%	0.714	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-101.5	146.6	148.9	16.9	0.4	0	0	0	110.7
133	P	28.7	Very low	27.7	Very low	118 Å²	118	138.4 Å²	138.4	77%	0.766	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-90.5	167.3	-169	36.4	-34.6	0	0	0	113.6
134	A	21.3	Very low	26.7	Very low	97 Å²	97	143.2 Å²	143.2	80%	0.802	77%	0.773	S	S	*	*			trans	95.5	106.3	159.3	0	0	0	0	0	117.8
135	S	26.1	Very low	25.7	Very low	123 Å²	123	145.2 Å²	145.2	86%	0.86	78%	0.784	S	S	*	*				-168.3	131.5	97	43.6	0	0	0	0	111.7
136	T	19.8	Very low	24.9	Very low	116 Å²	116	146 Å²	146	71%	0.712	78%	0.78	S	S	*	*			trans	-76	134	177.5	-36.4	0	0	0	0	110.2	E138	T136-E138 HydrophobicContact CG2-CG 4.49Å
137	V	25.3	Very low	24.4	Very low	147 Å²	147	144.1 Å²	144.1	89%	0.891	77%	0.774	S	S	*	*			trans	-143.9	117.2	143	-179.2	0	0	0	0	108.8
138	E	19	Very low	24	Very low	135 Å²	135	141.6 Å²	141.6	63%	0.631	77%	0.769	S	S	*	*			trans	-74.5	154.1	173.1	-68.5	167	112.4	0	0	112.7	T136	T136-E138 HydrophobicContact CG2-CG 4.49Å
139	N	26.3	Very low	23.4	Very low	160 Å²	160	142 Å²	142	86%	0.856	77%	0.767	S	S	*	*			trans	171.7	95.5	143	-85.1	-21.8	0	0	0	105
140	K	19	Very low	22.8	Very low	165 Å²	165	138.5 Å²	138.5	72%	0.717	75%	0.754	S	S	*	*				56.4	105.8	57.7	-125.5	-179.5	-168	172.4	0	112.4
141	I	22.2	Very low	22.6	Very low	144 Å²	144	136.1 Å²	136.1	74%	0.738	75%	0.747	S	S	*	*				157.4	131.1	116.5	-82	162.7	0	0	0	113.5
142	L	22.2	Very low	22.6	Very low	139 Å²	139	134.4 Å²	134.4	73%	0.728	74%	0.739	S	S	*	*			trans	58.6	116.8	154.1	-95.6	40.5	0	0	0	119.8
143	E	19.9	Very low	22.4	Very low	172 Å²	172	135.8 Å²	135.8	80%	0.804	74%	0.74	S	S	*	*				66	109.9	64	-69.7	-170.3	164	0	0	115.8
144	K	25.5	Very low	22	Very low	200 Å²	200	135.3 Å²	135.3	87%	0.87	73%	0.734	S	S	*	*			trans	171.6	109.7	135	-95.7	171.7	-178.7	-177.3	0	106.7
145	S	20.3	Very low	21.8	Very low	94 Å²	94	138.8 Å²	138.8	66%	0.657	74%	0.739	S	S	*	*				47.8	102	74.2	-162.2	0	0	0	0	111.8
146	D	22.6	Very low	21.6	Very low	119 Å²	119	138.4 Å²	138.4	64%	0.636	74%	0.736	S	S	*	*				170.1	142.8	93.6	-104.6	-59.8	0	0	0	111.2
147	Q	24.5	Very low	21.5	Very low	156 Å²	156	137.5 Å²	137.5	73%	0.729	74%	0.74	S	S	*	*			trans	68.1	146	140.6	-76.8	165.4	-11	0	0	119.3
148	K	20.8	Very low	21.4	Very low	168 Å²	168	135.9 Å²	135.9	73%	0.73	74%	0.735	S	S	*	*			cis	170.3	144.6	-14.3	-126.3	-168.4	175	177.2	0	101.2
149	V	21	Very low	21.4	Very low	121 Å²	121	140.1 Å²	140.1	73%	0.733	75%	0.745	S	S	*	*			trans	68.8	138.6	142.1	175.6	0	0	0	0	115.1
150	S	20.6	Very low	21.2	Very low	81 Å²	81	140.3 Å²	140.3	57%	0.566	74%	0.741	S	S	*	*			cis	-177.5	164.8	-14.8	-93.2	0	0	0	0	102.5
151	D	21.9	Very low	21.4	Very low	129 Å²	129	137.8 Å²	137.8	69%	0.69	75%	0.745	S	S	*	*			trans	82.1	124.5	137.1	-76.4	-4.6	0	0	0	120.3
152	N	22.4	Very low	21.2	Very low	128 Å²	128	136.5 Å²	136.5	68%	0.684	75%	0.748	S	S	*	*			trans	78.5	138	135.9	-61.8	-22	0	0	0	114.7
153	L	20.4	Very low	22	Very low	140 Å²	140	135 Å²	135	73%	0.733	75%	0.747	S	S	*	*			cis	-175.6	141.4	18.5	-149.8	47.3	0	0	0	107.2
154	V	21.1	Very low	22.2	Very low	108 Å²	108	136.2 Å²	136.2	66%	0.655	75%	0.749	S	S	*	*			trans	64.7	102	130.6	174.4	0	0	0	0	120.6
155	L	17.4	Very low	22.1	Very low	170 Å²	170	134.7 Å²	134.7	89%	0.89	75%	0.747	S	S	*	*				14	104.6	106.7	-83.7	141.4	0	0	0	118.3
156	S	22	Very low	22	Very low	115 Å²	115	138.6 Å²	138.6	80%	0.804	76%	0.757	S	S	*	*			trans	-161.4	128.7	131.3	49.1	0	0	0	0	111.7
157	A	17.9	Very low	22.3	Very low	96 Å²	96	141.2 Å²	141.2	79%	0.793	77%	0.771	S	S	*	*			trans	-70.8	141	176.3	0	0	0	0	0	112.7
158	S	22.6	Very low	22.2	Very low	114 Å²	114	143.6 Å²	143.6	80%	0.797	78%	0.779	S	S	*	*			trans	-170.4	107.9	150.4	-77.5	0	0	0	0	106.5
159	R	19.2	Very low	22.4	Very low	223 Å²	223	140.4 Å²	140.4	84%	0.842	78%	0.784	S	S	*	*				57.4	119.1	101.4	-80.8	-169.2	178.9	-178	-0.2	115.2
160	E	20.8	Very low	22.4	Very low	165 Å²	165	140.7 Å²	140.7	77%	0.771	79%	0.786	S	S	*	*			trans	86.6	126.6	144.4	-68.8	172.1	-169.6	0	0	120.6
161	S	23.5	Very low	22.5	Very low	112 Å²	112	143.8 Å²	143.8	78%	0.783	80%	0.796	S	S	*	*			trans	77.1	104.8	147.4	66.5	0	0	0	0	119.9
162	S	19.1	Very low	22.7	Very low	116 Å²	116	146.9 Å²	146.9	81%	0.811	81%	0.806	S	S	*	*				41.7	158.6	114.7	-121	0	0	0	0	120.7
163	P	37.9	Very low	22.6	Very low	108 Å²	108	148.9 Å²	148.9	70%	0.701	82%	0.815	S	S	*	*				-114.4	169.4	-78.9	38	-24.9	0	0	0	111.4
164	K	24	Very low	22.8	Very low	197 Å²	197	147.5 Å²	147.5	86%	0.857	82%	0.817	S	S	*	*			trans	-177.5	129.5	136.4	-101.6	161.6	-173	-176.8	0	114.3
165	M	23.1	Very low	22.9	Very low	169 Å²	169	150.5 Å²	150.5	83%	0.833	82%	0.824	S	S	*	*			trans	67.8	100	145.1	-64.5	-172	79.6	0	0	120.1
166	M	19.8	Very low	23.5	Very low	176 Å²	176	150.2 Å²	150.2	87%	0.867	82%	0.824	S	S	*	*				13.2	116	122	-73.9	171.6	163.4	0	0	116.2
167	N	28.6	Very low	23.6	Very low	174 Å²	174	154.6 Å²	154.6	93%	0.93	83%	0.828	S	S	*	*				-139	135.7	125.6	-95.7	-27.1	0	0	0	110.3
168	K	22.5	Very low	23.7	Very low	205 Å²	205	153.6 Å²	153.6	89%	0.891	83%	0.827	S	S	*	*			trans	-98	115.8	-169.7	-178.3	-176.5	-175.9	-178.6	0	107.4
169	A	25.4	Very low	23.7	Very low	101 Å²	101	155 Å²	155	84%	0.835	83%	0.831	S	S	*	*			trans	-156.9	101.5	156.4	0	0	0	0	0	108
170	V	20.7	Very low	23.8	Very low	128 Å²	128	151.1 Å²	151.1	78%	0.776	83%	0.831	S	S	*	*			trans	-98.1	113.7	171.9	165.8	0	0	0	0	106.1
171	N	23.1	Very low	23.8	Very low	146 Å²	146	151.6 Å²	151.6	78%	0.781	83%	0.834	S	S	*	*			trans	157.2	105.5	136.4	-87.6	-14	0	0	0	110
172	E	24.6	Very low	23.6	Very low	193 Å²	193	155 Å²	155	90%	0.902	84%	0.837	S	S	*	*				176.2	96.6	128.3	-98.1	176.8	-177.5	0	0	107.7
173	I	21.8	Very low	23.6	Very low	170 Å²	170	156.7 Å²	156.7	87%	0.872	84%	0.836	S	S	*	*			trans	-95	99	168.9	-62.8	173.8	0	0	0	105.9
174	S	24.2	Very low	22.8	Very low	111 Å²	111	157.1 Å²	157.1	78%	0.776	84%	0.838	S	S	*	*			trans	-89.9	126.8	166.8	-177.7	0	0	0	0	109.1	N176	S174-N176 PolarHBondContact O-N 2.91Å
175	H	22.5	Very low	22.7	Very low	172 Å²	172	155.2 Å²	155.2	80%	0.796	84%	0.836	S	S	*	*			trans	-61.4	125.2	174.3	-74.9	-87.6	0	0	0	111.1
176	N	30.3	Very low	22.6	Very low	164 Å²	164	153 Å²	153	88%	0.877	83%	0.834	S	S	*	*			trans	-142.7	139.8	146.4	-104.7	-20.8	0	0	0	111.8	S174	S174-N176 PolarHBondContact O-N 2.91Å
177	K	24.9	Very low	22.7	Very low	206 Å²	206	150.3 Å²	150.3	90%	0.896	83%	0.833	S	S	*	*			trans	-65.1	151.9	-162.1	-74	169.5	172.1	173.6	0	113.1
178	G	19.9	Very low	22.4	Very low	75 Å²	75	151.6 Å²	151.6	77%	0.773	83%	0.83	S	S	*	*			trans	-77.3	154	-170.9	0	0	0	0	0	114.6
179	V	22.3	Very low	22.5	Very low	144 Å²	144	146.8 Å²	146.8	87%	0.873	82%	0.82	S	S	*	*			trans	-110.1	119.2	154.7	175.1	0	0	0	0	105.4	E181	V179-E181 PolarHBondContact O-N 3.08Å
180	V	21.1	Very low	22.5	Very low	142 Å²	142	150 Å²	150	86%	0.861	82%	0.821	S	S	*	*			trans	-73.4	111.9	175.4	174.7	0	0	0	0	107
181	E	19.9	Very low	22.5	Very low	175 Å²	175	149.9 Å²	149.9	82%	0.818	82%	0.821	S	S	*	*			trans	-97	119.5	171.1	-158.2	173.3	-165.5	0	0	108.6	V179	V179-E181 PolarHBondContact O-N 3.08Å
182	E	20	Very low	22.7	Very low	182 Å²	182	152.3 Å²	152.3	85%	0.85	82%	0.824	S	S	*	*			trans	-82.1	113.2	-174	-159.2	172.3	-152.4	0	0	109.2	P184	E182-P184 WeakPolarHBondContact O-CD 3.49Å
183	I	19.6	Very low	22.5	Very low	153 Å²	153	152.9 Å²	152.9	79%	0.785	82%	0.824	S	S	*	*			trans	-93	114.6	-178.7	-57.1	173.5	0	0	0	109.2
184	P	20.2	Very low	22.7	Very low	116 Å²	116	150.8 Å²	150.8	75%	0.753	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-79.3	134.1	-178.1	-9	25.7	0	0	0	112.5	E182	E182-P184 WeakPolarHBondContact O-CD 3.49Å
185	I	22	Very low	22.8	Very low	157 Å²	157	152.7 Å²	152.7	81%	0.805	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-89.9	130.4	173.5	-58.9	175.7	0	0	0	109.8	S187	I185-S187 PolarHBondContact O-N 3.24Å
186	P	21.8	Very low	22.9	Very low	124 Å²	124	149.9 Å²	149.9	81%	0.805	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-78.9	118.8	-172.8	-5.9	23	0	0	0	112.6
187	S	21.8	Very low	22.6	Very low	119 Å²	119	147.3 Å²	147.3	83%	0.832	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-80.2	116.6	167.1	40.7	0	0	0	0	111.1	I185	I185-S187 PolarHBondContact O-N 3.24Å
188	K	22	Very low	22.6	Very low	200 Å²	200	143.5 Å²	143.5	87%	0.87	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-87.2	143.1	165.1	-108.1	-179	-178.4	176.1	0	110.6
189	P	24.6	Very low	22.6	Very low	104 Å²	104	148.6 Å²	148.6	68%	0.675	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-92.3	134.9	-155.7	34.8	-33.4	0	0	0	113.3	T191	P189-T191 PolarHBondContact O-N 2.93Å
190	I	25	Very low	22.5	Very low	169 Å²	169	148.5 Å²	148.5	87%	0.867	81%	0.809	S	S	*	*			trans	-89.3	98.8	163.9	-61.4	176	0	0	0	107.7
191	T	20.5	Very low	22.6	Very low	125 Å²	125	145.7 Å²	145.7	77%	0.767	80%	0.801	S	S	*	*			trans	-88.5	102.3	168	33.6	0	0	0	0	110	P189	P189-T191 PolarHBondContact O-N 2.93Å
192	K	27.1	Very low	22.7	Very low	198 Å²	198	143.1 Å²	143.1	86%	0.861	80%	0.797	S	S	*	*			trans	-138.1	111.8	148	-77.2	-167	178.8	177.5	0	109.5
193	K	20	Very low	22.8	Very low	204 Å²	204	141.5 Å²	141.5	89%	0.887	80%	0.795	S	S	*	*			trans	-63.1	145.9	167.8	-68	176.1	172.9	-178	0	110.1
194	V	26.9	Very low	23	Very low	127 Å²	127	141.7 Å²	141.7	77%	0.77	80%	0.797	S	S	*	*				172.2	105.2	122.5	169.2	0	0	0	0	109
195	D	26	Very low	23.3	Very low	150 Å²	150	143.6 Å²	143.6	80%	0.802	81%	0.807	S	S	*	*			trans	45.5	149.9	136.4	-58.3	-34.2	0	0	0	124.3
196	P	25.2	Very low	23.4	Very low	113 Å²	113	142.8 Å²	142.8	73%	0.734	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-96.4	165.6	-140.6	37.6	-34.9	0	0	0	115.6
197	P	23.7	Very low	23.5	Very low	111 Å²	111	142.7 Å²	142.7	72%	0.721	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-87.4	147.8	-164.9	33.8	-33.5	0	0	0	113.7	Q199	P197-Q199 PolarHBondContact O-N 2.76Å
198	P	24.2	Very low	23.6	Very low	126 Å²	126	146.9 Å²	146.9	82%	0.818	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-74.7	121.4	168.9	29	-28.9	0	0	0	110.2
199	Q	20.6	Very low	23.8	Very low	181 Å²	181	143 Å²	143	85%	0.846	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-70.2	127.6	165.5	-60.2	171.5	6.6	0	0	108.7	P197	P197-Q199 PolarHBondContact O-N 2.76Å
200	T	21.4	Very low	24.2	Very low	142 Å²	142	143.8 Å²	143.8	87%	0.871	81%	0.805	S	S	*	*			trans	-177.9	134.2	136.6	19.2	0	0	0	0	112.4
201	A	22.6	Very low	24.3	Very low	83 Å²	83	140 Å²	140	69%	0.686	80%	0.798	S	S	*	*			trans	74.7	99.1	138.9	0	0	0	0	0	120.6
202	T	21.7	Very low	24.9	Very low	121 Å²	121	140.9 Å²	140.9	74%	0.742	80%	0.803	S	S	*	*				64.9	120.7	123.9	47.1	0	0	0	0	121.9
203	N	21.6	Very low	25.4	Very low	148 Å²	148	136.7 Å²	136.7	79%	0.791	80%	0.795	S	S	*	*			trans	47.1	94.1	135.6	-63.2	-4.9	0	0	0	118.3
204	N	25.2	Very low	26.3	Very low	157 Å²	157	130.4 Å²	130.4	84%	0.84	78%	0.781	S	S	*	*			trans	-161.5	95.8	134.2	-94.9	-24.7	0	0	0	108.7	L206	N204-L206 PolarHBondContact O-N 2.72Å
205	V	24.9	Very low	26.8	Very low	157 Å²	157	136.8 Å²	136.8	95%	0.952	79%	0.791	S	S	*	*			trans	-76.9	73.6	165.5	-177.4	0	0	0	0	106.8
206	L	25.3	Very low	28	Very low	140 Å²	140	133 Å²	133	73%	0.733	79%	0.788	S	S	*	*			trans	-84.9	116.6	163.1	-149.4	82.3	0	0	0	106.7	N204 K208	N204-L206 PolarHBondContact O-N 2.72Å; L206-K208 PolarHBondContact O-N 3.12Å
207	T	23.3	Very low	29.5	Very low	121 Å²	121	129.3 Å²	129.3	74%	0.742	77%	0.767	S	S	*	*			trans	-19.3	95.2	162.1	37.7	0	0	0	0	114.4	T209	T207-T209 PolarHBondContact O-N 2.02Å
208	K	24.8	Very low	31.6	Very low	208 Å²	208	125.2 Å²	125.2	90%	0.904	74%	0.74	S	S	*	*			trans	-86.6	84.9	158.3	-84.3	-177.1	177.4	175.8	0	108.4	L206 S210	L206-K208 PolarHBondContact O-N 3.12Å; K208-S210 PolarHBondContact O-N 2.99Å
209	T	26.3	Very low	34.5	Very low	119 Å²	119	122.2 Å²	122.2	73%	0.73	72%	0.722	S	S	*	*			trans	-54.4	128	154.1	9.9	0	0	0	0	109.1	T207 A211	T207-T209 PolarHBondContact O-N 2.02Å; T209-A211 PolarHBondContact O-N 2.9Å; T209-A211 VanDerWaalsContact O-N 3.09Å
210	S	32.3	Very low	38	Very low	120 Å²	120	113.6 Å²	113.6	84%	0.839	68%	0.682	S	S	*	*	S	Bend	trans	9.5	83.3	155.9	-45.9	0	0	0	0	116.8	K208	K208-S210 PolarHBondContact O-N 2.99Å
211	A	27.8	Very low	41.4	Very low	88 Å²	88	107.8 Å²	107.8	73%	0.727	64%	0.644	S	S	*	*			trans	-133.1	50.7	160	0	0	0	0	0	109.4	T209	T209-A211 PolarHBondContact O-N 2.9Å; T209-A211 VanDerWaalsContact O-N 3.09Å
212	V	33.1	Very low	44.8	Very low	144 Å²	144	106.9 Å²	106.9	87%	0.873	63%	0.63	S	S	*	*			trans	-107.3	54.1	157.7	-168.3	0	0	0	0	107.3
213	T	36.9	Very low	48.1	Very low	111 Å²	111	105.5 Å²	105.5	68%	0.681	62%	0.615	S	S	*	*			trans	-82	102.1	147.3	25	0	0	0	0	105	R215	T213-R215 PolarHBondContact O-N 3.4Å; T213-R215 VanDerWaalsContact O-N 3.08Å
214	A	38.6	Very low	51.3	Low	72 Å²	72	100.5 Å²	100.5	60%	0.595	59%	0.59	S	S	*	*			trans	-47.2	122.2	162.6	0	0	0	0	0	107	G216 A217	A214-G216 PolarHBondContact O-N 3.05Å; A214-A217 PolarHBondContact O-N 2.99Å
215	R	38.3	Very low	54.2	Low	261 Å²	261	101.6 Å²	101.6	99%	0.985	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.6	101.5	-177.6	-73.8	178.5	179.2	-178.2	-0.7	108.7	T213	T213-R215 PolarHBondContact O-N 3.4Å; T213-R215 VanDerWaalsContact O-N 3.08Å
216	G	50.5	Low	57.1	Low	71 Å²	71	97.4 Å²	97.4	73%	0.732	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	124.7	-7.6	179.7	0	0	0	0	0	117.1	A214	A214-G216 PolarHBondContact O-N 3.05Å
217	A	57.5	Low	59.9	Low	35 Å²	35	93.4 Å²	93.4	29%	0.289	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-67.2	127.7	174.4	0	0	0	0	0	110.6	A214 S219	A214-A217 PolarHBondContact O-N 2.99Å; A217-S219 PolarHBondContact O-N 3.3Å
218	P	66.1	Low	62.7	Low	25 Å²	25	87.8 Å²	87.8	16%	0.162	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-64.5	122.6	177.5	24.6	-31.3	0	0	0	110	R313 Q316 Y317	P218-R313 HydrophobicContact CB-CG 3.94Å; P218-Q316 HydrophobicContact CG-CB 4.11Å; P218-Q316 HydrophobicContact CG-CG 3.72Å; P218-Y317 WeakPolarHBondContact O-CD2 3.4Å
219	S	86.1	Confident	65.3	Low	63 Å²	63	78.1 Å²	78.1	44%	0.441	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-75.5	140.2	169	177.8	0	0	0	0	109.9	A217 Y221 R313	A217-S219 PolarHBondContact O-N 3.3Å; S219-Y221 PolarHBondContact OG-N 3.48Å; S219-Y221 PolarHBondContact OG-O 3.2Å; S219-Y221 VanDerWaalsContact OG-O 3.09Å; S219-R313 VanDerWaalsContact O-CZ 3.24Å; S219-R313 PolarHBondContact O-NE 3.28Å; S219-R313 VanDerWaalsContact O-NE 3.17Å; S219-R313 PolarHBondContact O-NH2 3.32Å
220	C	93.3	Very high	67.2	Low	0 Å²	0	73.2 Å²	73.2	0%	0	42%	0.423	C	S	.	.			trans	-105	6.5	169.8	-73.5	0	0	0	0	113.9	F305 T306 C307 Y317	C220-F305 HydrophobicContact CB-CD2 4.23Å; C220-F305 HydrophobicContact CB-CE2 3.72Å; C220-F305 HydrophobicContact CB-CZ 4.44Å; C220-T306 PolarHBondContact O-N 3.18Å; C220-T306 PolarHBondContact O-OG1 2.76Å; C220-C307 WeakPolarHBondContact CA-SG 2.89Å; C220-C307 HydrophobicContact CB-CB 3.72Å; C220-C307 WeakPolarHBondContact CB-SG 3.49Å; C220-C307 WeakPolarHBondContact SG-CB 3.15Å; C220-C307 CovalentContact SG-SG 2.02Å; C220-C307 PolarHBondContact SG-SG 3.2Å; C220-Y317 HydrophobicContact CB-CD1 4.2Å; C220-Y317 HydrophobicContact CB-CD2 3.85Å; C220-Y317 HydrophobicContact CB-CE1 4.43Å; C220-Y317 HydrophobicContact CB-CE2 4.07Å; C220-Y317 HydrophobicContact CB-CG 3.92Å; C220-Y317 WeakPolarHBondContact SG-CB 3.2Å
221	Y	94.1	Very high	68.6	Low	19 Å²	19	70.2 Å²	70.2	8%	0.075	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	137.8	-172.7	-69.2	-81.3	0	0	0	113.3	S219 Q246 C249 A250 V263 E304 F305 Y317	S219-Y221 PolarHBondContact OG-N 3.48Å; S219-Y221 PolarHBondContact OG-O 3.2Å; S219-Y221 VanDerWaalsContact OG-O 3.09Å; Y221-Q246 HydrophobicContact CD1-CG 4.37Å; Y221-Q246 HydrophobicContact CD2-CB 3.93Å; Y221-Q246 HydrophobicContact CD2-CG 3.77Å; Y221-Q246 HydrophobicContact CE1-CG 4.3Å; Y221-Q246 HydrophobicContact CE2-CB 3.44Å; Y221-Q246 VanDerWaalsContact CE2-CB 3.44Å; Y221-Q246 HydrophobicContact CE2-CG 3.72Å; Y221-Q246 HydrophobicContact CG-CG 4.11Å; Y221-Q246 PolarHBondContact OH-O 3.29Å; Y221-C249 WeakPolarHBondContact OH-CB 3.15Å; Y221-C249 PolarHBondContact OH-SG 3.01Å; Y221-C249 VanDerWaalsContact OH-SG 3.37Å; Y221-A250 PolarHBondContact OH-N 2.91Å; Y221-V263 HydrophobicContact CE1-CG2 4.27Å; Y221-E304 VanDerWaalsContact CA-O 3.27Å; Y221-E304 WeakPolarHBondContact CA-O 2.87Å; Y221-E304 WeakPolarHBondContact CD1-O 3.18Å; Y221-F305 HydrophobicContact CD1-CD2 4.43Å; Y221-F305 HydrophobicContact CE1-CB 4.13Å; Y221-F305 AromaticContact CE1-CD2 3.68Å; Y221-F305 HydrophobicContact CE1-CD2 3.68Å; Y221-F305 HydrophobicContact CE1-CG 4.42Å; Y221-F305 HydrophobicContact CE2-CD2 4.06Å; Y221-F305 HydrophobicContact CE2-CE2 4.3Å; Y221-F305 AromaticContact CZ-CD2 3.46Å; Y221-F305 VanDerWaalsContact CZ-CD2 3.46Å; Y221-F305 WeakPolarHBondContact OH-CD2 3.1Å; Y221-Y317 HydrophobicContact CE2-CE1 4.07Å; Y221-Y317 AromaticContact CE2-CZ 3.81Å; Y221-Y317 WeakPolarHBondContact CE2-OH 3.21Å
222	T	92.2	Very high	70.6	Confident	65 Å²	65	66.5 Å²	66.5	40%	0.399	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	134.7	165.2	42.4	0	0	0	0	109.2	Y303 E304 T306	T222-Y303 CarbonylContact O-C 3.39Å; T222-Y303 VanDerWaalsContact O-CA 3.23Å; T222-Y303 WeakPolarHBondContact O-CA 3.35Å; T222-E304 PolarHBondContact N-O 3.1Å; T222-E304 VanDerWaalsContact N-O 3.16Å; T222-E304 PolarHBondContact O-N 2.7Å; T222-E304 PolarHBondContact OG1-OE2 3.48Å; T222-T306 HydrophobicContact CG2-CG2 3.94Å
223	Q	91.6	Very high	72.3	Confident	91 Å²	91	61.7 Å²	61.7	43%	0.425	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	130.2	-175.5	-175.8	-175.7	3.5	0	0	111.3	R225 S301 L302 Y303	Q223-R225 HydrophobicContact CG-CG 4.43Å; Q223-S301 PolarHBondContact NE2-OG 3.45Å; Q223-L302 CarbonylContact C-O 3.38Å; Q223-L302 WeakPolarHBondContact CA-O 3.43Å; Q223-Y303 HydrophobicContact CB-CD1 3.94Å; Q223-Y303 HydrophobicContact CB-CE1 3.9Å; Q223-Y303 HydrophobicContact CG-CD1 4.07Å; Q223-Y303 HydrophobicContact CG-CE1 3.68Å
224	T	88.8	Confident	73.7	Confident	43 Å²	43	58.1 Å²	58.1	26%	0.264	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	117.1	165.1	-55.4	0	0	0	0	108.2	H227 L302	T224-H227 HydrophobicContact CG2-CB 4.02Å; T224-L302 PolarHBondContact N-O 3.48Å; T224-L302 PolarHBondContact O-N 3.04Å
225	R	87.4	Confident	74.9	Confident	180 Å²	180	57.5 Å²	57.5	68%	0.679	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78	151.2	-178.6	-67.3	-176.7	-178.4	174.2	2.1	110.5	Q223 H227	Q223-R225 HydrophobicContact CG-CG 4.43Å; R225-H227 PolarHBondContact O-N 2.99Å; R225-H227 VanDerWaalsContact O-N 3.17Å; R225-H227 PolarHBondContact O-ND1 2.61Å
226	Q	83.8	Confident	76.5	Confident	70 Å²	70	48.3 Å²	48.3	33%	0.327	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	32.4	171	-60	-179.9	-26	0	0	113.5	E294 V295 T300	Q226-E294 CarbonylContact O-C 3.59Å; Q226-E294 WeakPolarHBondContact O-CA 3.3Å; Q226-V295 WeakPolarHBondContact CB-O 3.46Å; Q226-V295 PolarHBondContact O-N 2.96Å; Q226-T300 PolarHBondContact N-O 3.38Å; Q226-T300 VanDerWaalsContact N-O 3.07Å
227	H	84	Confident	77.1	Confident	56 Å²	56	48.1 Å²	48.1	26%	0.259	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	149.5	174.4	-74.4	72.5	0	0	0	109.6	T224 R225 L292 I293 L302	T224-H227 HydrophobicContact CG2-CB 4.02Å; R225-H227 PolarHBondContact O-N 2.99Å; R225-H227 VanDerWaalsContact O-N 3.17Å; R225-H227 PolarHBondContact O-ND1 2.61Å; H227-L292 HydrophobicContact CB-CD1 4.15Å; H227-I293 VanDerWaalsContact CA-O 3.25Å; H227-I293 WeakPolarHBondContact CA-O 3.5Å; H227-L302 HydrophobicContact CB-CB 4.46Å
228	A	83	Confident	77.6	Confident	2 Å²	2	53 Å²	53	2%	0.017	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	148.9	-179.5	0	0	0	0	0	110.2	I293 V295	A228-I293 HydrophobicContact CB-CD1 4.49Å; A228-I293 HydrophobicContact CB-CG1 4.16Å; A228-I293 PolarHBondContact N-O 3.03Å; A228-I293 VanDerWaalsContact O-CG1 3.31Å; A228-I293 WeakPolarHBondContact O-CG1 3.49Å; A228-I293 PolarHBondContact O-N 3.11Å; A228-V295 HydrophobicContact CB-CG2 3.59Å
229	F	78.6	Confident	77.8	Confident	5 Å²	5	53 Å²	53	2%	0.022	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	134.2	165.9	-71.6	-73.1	0	0	0	110.6	S232 Q264 N275 L277 T279 V288 D291 L292 L302	F229-S232 WeakPolarHBondContact CB-OG 3.49Å; F229-S232 VanDerWaalsContact CG-OG 3.23Å; F229-S232 WeakPolarHBondContact CG-OG 3.35Å; F229-Q264 PolarHBondContact O-NE2 2.81Å; F229-Q264 PolarHBondContact O-OE1 2.88Å; F229-N275 HydrophobicContact CD2-CB 4.3Å; F229-L277 HydrophobicContact CD1-CB 4.31Å; F229-L277 HydrophobicContact CD1-CD1 4.37Å; F229-L277 HydrophobicContact CE1-CB 3.86Å; F229-L277 HydrophobicContact CE1-CD1 4.27Å; F229-L277 HydrophobicContact CE2-CB 4.24Å; F229-L277 HydrophobicContact CZ-CB 3.85Å; F229-T279 HydrophobicContact CZ-CG2 4.36Å; F229-V288 HydrophobicContact CE1-CG1 3.56Å; F229-V288 HydrophobicContact CZ-CG1 4.24Å; F229-D291 CarbonylContact C-O 3.57Å; F229-D291 WeakPolarHBondContact CA-O 3.49Å; F229-D291 HydrophobicContact CD1-CB 4.36Å; F229-L292 HydrophobicContact CD1-CB 4.01Å; F229-L292 HydrophobicContact CD1-CD1 4.1Å; F229-L292 HydrophobicContact CE1-CB 3.73Å; F229-L292 HydrophobicContact CE1-CD1 3.87Å; F229-L292 HydrophobicContact CE1-CG 4.31Å; F229-L292 HydrophobicContact CE2-CD1 4.33Å; F229-L292 HydrophobicContact CG-CD1 4.43Å; F229-L292 HydrophobicContact CZ-CD1 3.97Å; F229-L302 HydrophobicContact CD2-CD1 3.7Å; F229-L302 HydrophobicContact CD2-CD2 4.15Å; F229-L302 HydrophobicContact CE2-CD1 3.87Å; F229-L302 HydrophobicContact CE2-CD2 3.69Å; F229-L302 HydrophobicContact CE2-CG 4.4Å; F229-L302 HydrophobicContact CZ-CD2 4.37Å
230	I	66.7	Low	77.3	Confident	16 Å²	16	51.9 Å²	51.9	8%	0.082	25%	0.249	C	C	.	.	S	Bend	trans	-90.1	-42.9	179.9	-53	160.8	0	0	0	112.3	D291 I293 V343 I360 I416	I230-D291 PolarHBondContact N-O 3.4Å; I230-I293 HydrophobicContact CD1-CB 4.34Å; I230-I293 HydrophobicContact CD1-CD1 3.82Å; I230-I293 HydrophobicContact CD1-CG1 4.04Å; I230-I293 HydrophobicContact CD1-CG2 3.45Å; I230-I293 VanDerWaalsContact CD1-CG2 3.45Å; I230-I293 HydrophobicContact CG1-CD1 3.7Å; I230-I293 HydrophobicContact CG1-CG1 3.86Å; I230-I293 HydrophobicContact CG1-CG2 4.13Å; I230-V343 HydrophobicContact CG2-CG2 3.75Å; I230-I360 HydrophobicContact CD1-CD1 3.74Å; I230-I360 HydrophobicContact CG1-CD1 4.49Å; I230-I416 HydrophobicContact CB-CD1 4.43Å; I230-I416 HydrophobicContact CD1-CD1 3.87Å; I230-I416 HydrophobicContact CG2-CD1 3.46Å; I230-I416 VanDerWaalsContact CG2-CD1 3.46Å; I230-I416 HydrophobicContact CG2-CG1 3.8Å
231	K	61.8	Low	76.8	Confident	58 Å²	58	54.1 Å²	54.1	25%	0.252	27%	0.265	S	S	.	.	S	Bend	trans	-105.2	-8.2	-169.8	-59.6	-172.3	-164.3	150.9	0	115.3	D291 Q413	K231-D291 WeakPolarHBondContact CD-OD1 3.44Å; K231-D291 WeakPolarHBondContact CG-OD1 3.49Å; K231-D291 IonicContact NZ-OD1 2.94Å; K231-Q413 HydrophobicContact CD-CB 4Å; K231-Q413 HydrophobicContact CD-CG 4.16Å; K231-Q413 HydrophobicContact CG-CB 4.47Å; K231-Q413 HydrophobicContact CG-CG 4.24Å; K231-Q413 PolarHBondContact O-NE2 3.07Å
232	S	69.7	Low	76.6	Confident	9 Å²	9	55.3 Å²	55.3	6%	0.063	27%	0.272	C	S	.	.			trans	-94	-3.7	-176.4	72.7	0	0	0	0	114.6	F229 Y234 N275 R276 L277	F229-S232 WeakPolarHBondContact CB-OG 3.49Å; F229-S232 VanDerWaalsContact CG-OG 3.23Å; F229-S232 WeakPolarHBondContact CG-OG 3.35Å; S232-Y234 PolarHBondContact O-N 3.38Å; S232-N275 CarbonylContact O-C 3.33Å; S232-N275 VanDerWaalsContact O-CA 3.28Å; S232-N275 WeakPolarHBondContact O-CA 2.86Å; S232-N275 WeakPolarHBondContact OG-CB 3.1Å; S232-R276 PolarHBondContact O-N 2.89Å; S232-L277 VanDerWaalsContact CB-CG 3.49Å
233	A	69.7	Low	76.4	Confident	44 Å²	44	55.4 Å²	55.4	36%	0.364	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	127.1	173.2	0	0	0	0	0	110.2	V273 L274 N275	A233-V273 HydrophobicContact CB-CG1 3.37Å; A233-L274 WeakPolarHBondContact CA-O 3.38Å; A233-N275 WeakPolarHBondContact CA-OD1 3.48Å; A233-N275 PolarHBondContact N-OD1 3.18Å
234	Y	66	Low	76.1	Confident	35 Å²	35	52.5 Å²	52.5	14%	0.137	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	-13.1	176.8	73	-88.7	0	0	0	113.5	S232 N258 C260 L274 R276	S232-Y234 PolarHBondContact O-N 3.38Å; Y234-N258 HydrophobicContact CD2-CB 4.18Å; Y234-N258 HydrophobicContact CE2-CB 3.77Å; Y234-N258 PolarHBondContact OH-O 3.46Å; Y234-C260 HydrophobicContact CE1-CB 4.5Å; Y234-C260 VanDerWaalsContact OH-CA 3.28Å; Y234-C260 WeakPolarHBondContact OH-CA 3.44Å; Y234-C260 WeakPolarHBondContact OH-CB 3.25Å; Y234-C260 PolarHBondContact OH-N 3.41Å; Y234-L274 HydrophobicContact CD1-CB 4.31Å; Y234-L274 WeakPolarHBondContact CD1-O 3.23Å; Y234-L274 HydrophobicContact CE1-CB 3.64Å; Y234-L274 HydrophobicContact CE2-CB 4.34Å; Y234-L274 PolarHBondContact N-O 3.43Å; Y234-R276 HydrophobicContact CD1-CG 3.6Å; Y234-R276 HydrophobicContact CE1-CG 4.22Å; Y234-R276 HydrophobicContact CG-CG 4.2Å
235	Q	63.2	Low	75.9	Confident	60 Å²	60	50.4 Å²	50.4	28%	0.28	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	137.2	176.3	-169.3	64.4	45.1	0	0	109.9	Y237 L274	Q235-Y237 HydrophobicContact CB-CE2 4.26Å; Q235-Y237 HydrophobicContact CG-CD2 4.08Å; Q235-Y237 HydrophobicContact CG-CE1 4.39Å; Q235-Y237 HydrophobicContact CG-CE2 3.31Å; Q235-L274 HydrophobicContact CB-CB 4.18Å; Q235-L274 HydrophobicContact CB-CD1 4.25Å; Q235-L274 HydrophobicContact CB-CG 4.28Å; Q235-L274 PolarHBondContact O-N 3.27Å
236	V	71.6	Confident	76.2	Confident	67 Å²	67	43 Å²	43	41%	0.406	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	134.2	177.6	-176.2	0	0	0	0	109.4	E271 C272 V273	V236-E271 HydrophobicContact CG1-CG 3.68Å; V236-C272 CarbonylContact C-O 3.56Å; V236-C272 VanDerWaalsContact CA-O 3.29Å; V236-C272 WeakPolarHBondContact CA-O 3.35Å; V236-V273 HydrophobicContact CG1-CG2 4.22Å; V236-V273 HydrophobicContact CG2-CG1 4.25Å; V236-V273 HydrophobicContact CG2-CG2 4.12Å
237	Y	64.5	Low	76.4	Confident	67 Å²	67	40.2 Å²	40.2	26%	0.263	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	136.1	175.1	-60.6	-86.9	0	0	0	110.1	Q235 Y240 T248 E271 C272 L274	Q235-Y237 HydrophobicContact CB-CE2 4.26Å; Q235-Y237 HydrophobicContact CG-CD2 4.08Å; Q235-Y237 HydrophobicContact CG-CE1 4.39Å; Q235-Y237 HydrophobicContact CG-CE2 3.31Å; Y237-Y240 AromaticContact CD1-CE1 4Å; Y237-Y240 HydrophobicContact CD1-CE1 4Å; Y237-Y240 AromaticContact CD1-CE2 3.85Å; Y237-Y240 HydrophobicContact CD1-CE2 3.85Å; Y237-Y240 AromaticContact CD1-CZ 3.47Å; Y237-Y240 VanDerWaalsContact CD1-CZ 3.47Å; Y237-Y240 WeakPolarHBondContact CD1-OH 3.3Å; Y237-Y240 HydrophobicContact CD2-CE1 4.3Å; Y237-Y240 HydrophobicContact CG-CD1 4.21Å; Y237-Y240 HydrophobicContact CG-CD2 4.42Å; Y237-Y240 AromaticContact CG-CE1 3.8Å; Y237-Y240 HydrophobicContact CG-CE1 3.8Å; Y237-Y240 HydrophobicContact CG-CE2 4.03Å; Y237-Y240 AromaticContact CG-CZ 3.7Å; Y237-T248 HydrophobicContact CD2-CG2 4.42Å; Y237-T248 HydrophobicContact CE2-CG2 3.68Å; Y237-E271 CarbonylContact O-C 3.52Å; Y237-E271 WeakPolarHBondContact O-CA 2.98Å; Y237-C272 PolarHBondContact N-O 3.45Å; Y237-C272 PolarHBondContact O-N 3.01Å; Y237-L274 HydrophobicContact CD2-CG 4.4Å; Y237-L274 HydrophobicContact CE2-CD1 3.8Å; Y237-L274 HydrophobicContact CE2-CG 4.11Å
238	R	67.2	Low	76.2	Confident	139 Å²	139	38.5 Å²	38.5	53%	0.525	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	147.7	-178.3	-74.4	162.3	162.4	-173.7	9.5	110.2	Y240 Q270 E271	R238-Y240 PolarHBondContact O-N 3.01Å; R238-Q270 CarbonylContact C-O 3.1Å; R238-E271 HydrophobicContact CG-CG 4.14Å; R238-E271 IonicContact CZ-OE2 2.95Å; R238-E271 IonicContact NE-OE2 3.34Å; R238-E271 PolarHBondContact NE-OE2 3.35Å; R238-E271 IonicContact NH2-OE2 3.15Å
239	G	70.8	Confident	76.4	Confident	23 Å²	23	38.4 Å²	38.4	24%	0.237	20%	0.201	C	C	.	.	S	Bend	trans	75.2	9.3	-172.9	0	0	0	0	0	114.1	Q270	G239-Q270 CarbonylContact C-O 3.55Å; G239-Q270 WeakPolarHBondContact CA-O 3.36Å; G239-Q270 PolarHBondContact N-O 2.96Å
240	Y	74.8	Confident	76.8	Confident	40 Å²	40	38.1 Å²	38.1	16%	0.157	20%	0.2	C	C	.	.			trans	-81.3	139.1	-179.2	-88	-133.5	0	0	0	110.1	Y237 R238 D244 T248 Y265 Q270 C272 P328	Y237-Y240 AromaticContact CD1-CE1 4Å; Y237-Y240 HydrophobicContact CD1-CE1 4Å; Y237-Y240 AromaticContact CD1-CE2 3.85Å; Y237-Y240 HydrophobicContact CD1-CE2 3.85Å; Y237-Y240 AromaticContact CD1-CZ 3.47Å; Y237-Y240 VanDerWaalsContact CD1-CZ 3.47Å; Y237-Y240 WeakPolarHBondContact CD1-OH 3.3Å; Y237-Y240 HydrophobicContact CD2-CE1 4.3Å; Y237-Y240 HydrophobicContact CG-CD1 4.21Å; Y237-Y240 HydrophobicContact CG-CD2 4.42Å; Y237-Y240 AromaticContact CG-CE1 3.8Å; Y237-Y240 HydrophobicContact CG-CE1 3.8Å; Y237-Y240 HydrophobicContact CG-CE2 4.03Å; Y237-Y240 AromaticContact CG-CZ 3.7Å; R238-Y240 PolarHBondContact O-N 3.01Å; Y240-D244 HydrophobicContact CD1-CB 3.6Å; Y240-D244 HydrophobicContact CE1-CB 4.21Å; Y240-D244 HydrophobicContact CG-CB 4.08Å; Y240-T248 WeakPolarHBondContact CE1-OG1 2.97Å; Y240-Y265 VanDerWaalsContact O-CE2 3.23Å; Y240-Y265 WeakPolarHBondContact O-CE2 3.38Å; Y240-Y265 PolarHBondContact O-OH 3.06Å; Y240-Q270 PolarHBondContact N-O 2.71Å; Y240-C272 HydrophobicContact CD1-CB 4.46Å; Y240-C272 HydrophobicContact CG-CB 4.46Å; Y240-P328 HydrophobicContact CD2-CB 4.41Å; Y240-P328 HydrophobicContact CE2-CB 4.05Å; Y240-P328 HydrophobicContact CE2-CG 4.36Å
241	S	84	Confident	77.5	Confident	47 Å²	47	41.3 Å²	41.3	33%	0.329	21%	0.214	S	C	.	.			trans	-71.1	163.7	162.3	77.3	0	0	0	0	110.2	V243 D244 C245 Y265	S241-V243 PolarHBondContact O-N 3.13Å; S241-V243 PolarHBondContact OG-N 3.44Å; S241-D244 WeakPolarHBondContact CB-OD2 3.27Å; S241-D244 PolarHBondContact N-OD2 2.87Å; S241-D244 PolarHBondContact O-N 3.05Å; S241-D244 PolarHBondContact OG-N 2.86Å; S241-D244 VanDerWaalsContact OG-N 3.12Å; S241-D244 PolarHBondContact OG-OD1 3.16Å; S241-D244 PolarHBondContact OG-OD2 3.4Å; S241-C245 WeakPolarHBondContact O-CB 3.5Å; S241-C245 PolarHBondContact O-N 3.31Å; S241-Y265 WeakPolarHBondContact CA-OH 3.33Å
242	L	89.5	Confident	78.3	Confident	45 Å²	45	39.9 Å²	39.9	24%	0.236	21%	0.21	C	C	.	.	H	α-helix	trans	-57.5	-38.2	173.3	174.8	61.1	0	0	0	111.4	C245 Q246 Y265 Y303	L242-C245 WeakPolarHBondContact O-CB 3.32Å; L242-C245 PolarHBondContact O-N 3.04Å; L242-Q246 HydrophobicContact CD1-CG 4.16Å; L242-Q246 WeakPolarHBondContact O-CB 3.43Å; L242-Q246 VanDerWaalsContact O-CG 3.32Å; L242-Q246 WeakPolarHBondContact O-CG 3.06Å; L242-Q246 PolarHBondContact O-N 2.75Å; L242-Y265 HydrophobicContact CB-CD1 3.84Å; L242-Y265 HydrophobicContact CB-CE1 3.75Å; L242-Y265 HydrophobicContact CB-CE2 4.46Å; L242-Y265 HydrophobicContact CB-CG 4.23Å; L242-Y265 HydrophobicContact CD1-CD1 3.87Å; L242-Y265 HydrophobicContact CD1-CD2 4.35Å; L242-Y265 HydrophobicContact CD1-CG 3.7Å; L242-Y265 HydrophobicContact CG-CD1 4.35Å; L242-Y265 VanDerWaalsContact N-CZ 3.3Å; L242-Y265 PolarHBondContact N-OH 3.07Å; L242-Y303 HydrophobicContact CD1-CD2 3.95Å; L242-Y303 HydrophobicContact CD1-CE1 4.34Å; L242-Y303 HydrophobicContact CD1-CE2 3.47Å; L242-Y303 VanDerWaalsContact CD1-CE2 3.47Å; L242-Y303 HydrophobicContact CD2-CE1 4.21Å; L242-Y303 HydrophobicContact CD2-CE2 4.39Å; L242-Y303 WeakPolarHBondContact CD2-OH 3.33Å
243	V	88.4	Confident	78.7	Confident	67 Å²	67	43 Å²	43	41%	0.406	22%	0.221	S	C	.	.	H	α-helix	trans	-66.9	-45.3	179.7	178.6	0	0	0	0	110.1	S241 C245 Q246 C247 V321	S241-V243 PolarHBondContact O-N 3.13Å; S241-V243 PolarHBondContact OG-N 3.44Å; V243-C245 VanDerWaalsContact C-N 3.27Å; V243-C245 PolarHBondContact O-N 3.04Å; V243-Q246 PolarHBondContact O-N 3.11Å; V243-C247 VanDerWaalsContact O-CB 3.31Å; V243-C247 WeakPolarHBondContact O-CB 3.3Å; V243-C247 PolarHBondContact O-N 3.05Å; V243-C247 PolarHBondContact O-SG 3.4Å; V243-C247 VanDerWaalsContact O-SG 3.4Å; V243-V321 HydrophobicContact CG1-CG1 4.39Å
244	D	84.2	Confident	78.5	Confident	29 Å²	29	44.3 Å²	44.3	16%	0.155	23%	0.232	C	C	.	.	H	α-helix	trans	-58.4	-44.5	176	-53.9	-34.9	0	0	0	110.4	Y240 S241 Q246 C247 T248 V326	Y240-D244 HydrophobicContact CD1-CB 3.6Å; Y240-D244 HydrophobicContact CE1-CB 4.21Å; Y240-D244 HydrophobicContact CG-CB 4.08Å; S241-D244 WeakPolarHBondContact CB-OD2 3.27Å; S241-D244 PolarHBondContact N-OD2 2.87Å; S241-D244 PolarHBondContact O-N 3.05Å; S241-D244 PolarHBondContact OG-N 2.86Å; S241-D244 VanDerWaalsContact OG-N 3.12Å; S241-D244 PolarHBondContact OG-OD1 3.16Å; S241-D244 PolarHBondContact OG-OD2 3.4Å; D244-Q246 PolarHBondContact O-N 3.21Å; D244-C247 PolarHBondContact O-N 3.24Å; D244-T248 WeakPolarHBondContact O-CB 3.39Å; D244-T248 PolarHBondContact O-N 3.11Å; D244-T248 PolarHBondContact O-OG1 3.07Å; D244-V326 WeakPolarHBondContact OD1-CG1 3.32Å
245	C	86.1	Confident	78.2	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58.3	-50	177.7	-171.7	0	0	0	0	112.6	S241 L242 V243 C247 T248 C249 Y265 C272	S241-C245 WeakPolarHBondContact O-CB 3.5Å; S241-C245 PolarHBondContact O-N 3.31Å; L242-C245 WeakPolarHBondContact O-CB 3.32Å; L242-C245 PolarHBondContact O-N 3.04Å; V243-C245 VanDerWaalsContact C-N 3.27Å; V243-C245 PolarHBondContact O-N 3.04Å; C245-C247 VanDerWaalsContact C-N 3.32Å; C245-C247 PolarHBondContact O-N 3.29Å; C245-T248 PolarHBondContact O-N 3.43Å; C245-C249 PolarHBondContact O-N 3.47Å; C245-C249 VanDerWaalsContact O-N 3.08Å; C245-Y265 HydrophobicContact CB-CD2 4.14Å; C245-C272 WeakPolarHBondContact CA-SG 3.26Å; C245-C272 HydrophobicContact CB-CB 3.49Å; C245-C272 VanDerWaalsContact CB-CB 3.49Å; C245-C272 WeakPolarHBondContact CB-SG 3.48Å; C245-C272 VanDerWaalsContact SG-CA 3.55Å; C245-C272 WeakPolarHBondContact SG-CB 3.01Å; C245-C272 CovalentContact SG-SG 2.02Å; C245-C272 PolarHBondContact SG-SG 2.91Å
246	Q	92.8	Very high	77.4	Confident	25 Å²	25	48.8 Å²	48.8	12%	0.117	28%	0.275	C	S	.	.	H	α-helix	trans	-64.2	-36.3	177	-76	177.9	-16.9	0	0	112	Y221 L242 V243 D244 A250 V263 Y317	Y221-Q246 HydrophobicContact CD1-CG 4.37Å; Y221-Q246 HydrophobicContact CD2-CB 3.93Å; Y221-Q246 HydrophobicContact CD2-CG 3.77Å; Y221-Q246 HydrophobicContact CE1-CG 4.3Å; Y221-Q246 HydrophobicContact CE2-CB 3.44Å; Y221-Q246 VanDerWaalsContact CE2-CB 3.44Å; Y221-Q246 HydrophobicContact CE2-CG 3.72Å; Y221-Q246 HydrophobicContact CG-CG 4.11Å; Y221-Q246 PolarHBondContact OH-O 3.29Å; L242-Q246 HydrophobicContact CD1-CG 4.16Å; L242-Q246 WeakPolarHBondContact O-CB 3.43Å; L242-Q246 VanDerWaalsContact O-CG 3.32Å; L242-Q246 WeakPolarHBondContact O-CG 3.06Å; L242-Q246 PolarHBondContact O-N 2.75Å; V243-Q246 PolarHBondContact O-N 3.11Å; D244-Q246 PolarHBondContact O-N 3.21Å; Q246-A250 WeakPolarHBondContact O-CB 3.22Å; Q246-A250 PolarHBondContact O-N 3.44Å; Q246-V263 HydrophobicContact CG-CG2 4.23Å; Q246-Y317 WeakPolarHBondContact CB-OH 3.48Å
247	C	87.2	Confident	76.1	Confident	10 Å²	10	54 Å²	54	7%	0.068	29%	0.292	C	S	.	.	H	α-helix	trans	-72.4	-42	178.6	-77.5	0	0	0	0	112.4	V243 D244 C245 C249 A250 Q251 C322	V243-C247 VanDerWaalsContact O-CB 3.31Å; V243-C247 WeakPolarHBondContact O-CB 3.3Å; V243-C247 PolarHBondContact O-N 3.05Å; V243-C247 PolarHBondContact O-SG 3.4Å; V243-C247 VanDerWaalsContact O-SG 3.4Å; D244-C247 PolarHBondContact O-N 3.24Å; C245-C247 VanDerWaalsContact C-N 3.32Å; C245-C247 PolarHBondContact O-N 3.29Å; C247-C249 VanDerWaalsContact C-N 3.34Å; C247-C249 PolarHBondContact O-N 3.01Å; C247-A250 PolarHBondContact O-N 3.03Å; C247-Q251 WeakPolarHBondContact O-CB 3.48Å; C247-Q251 VanDerWaalsContact O-CG 3.25Å; C247-Q251 WeakPolarHBondContact O-CG 3.49Å; C247-Q251 PolarHBondContact O-N 3.4Å; C247-C322 WeakPolarHBondContact CA-SG 3.08Å; C247-C322 HydrophobicContact CB-CB 3.66Å; C247-C322 WeakPolarHBondContact CB-SG 3.24Å; C247-C322 WeakPolarHBondContact SG-CA 3.35Å; C247-C322 WeakPolarHBondContact SG-CB 3.42Å; C247-C322 CovalentContact SG-SG 2.04Å; C247-C322 PolarHBondContact SG-SG 3.11Å
248	T	81.3	Confident	75.8	Confident	20 Å²	20	54.7 Å²	54.7	12%	0.123	30%	0.3	C	S	.	.	H	α-helix	trans	-61	-43.2	174.2	-57.9	0	0	0	0	111.6	Y237 Y240 D244 C245 A250 Q251 T252 L274	Y237-T248 HydrophobicContact CD2-CG2 4.42Å; Y237-T248 HydrophobicContact CE2-CG2 3.68Å; Y240-T248 WeakPolarHBondContact CE1-OG1 2.97Å; D244-T248 WeakPolarHBondContact O-CB 3.39Å; D244-T248 PolarHBondContact O-N 3.11Å; D244-T248 PolarHBondContact O-OG1 3.07Å; C245-T248 PolarHBondContact O-N 3.43Å; T248-A250 PolarHBondContact O-N 3.34Å; T248-Q251 PolarHBondContact O-N 3.47Å; T248-T252 WeakPolarHBondContact O-CG2 3.43Å; T248-T252 PolarHBondContact O-N 3.21Å; T248-L274 HydrophobicContact CG2-CD1 4.11Å
249	C	86.7	Confident	76.2	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.1	-46.3	173.6	179.9	0	0	0	0	112	Y221 C245 C247 Q251 T252 C260 V263 L274	Y221-C249 WeakPolarHBondContact OH-CB 3.15Å; Y221-C249 PolarHBondContact OH-SG 3.01Å; Y221-C249 VanDerWaalsContact OH-SG 3.37Å; C245-C249 PolarHBondContact O-N 3.47Å; C245-C249 VanDerWaalsContact O-N 3.08Å; C247-C249 VanDerWaalsContact C-N 3.34Å; C247-C249 PolarHBondContact O-N 3.01Å; C249-Q251 VanDerWaalsContact C-N 3.33Å; C249-Q251 PolarHBondContact O-N 3.1Å; C249-T252 WeakPolarHBondContact O-CB 3.34Å; C249-T252 PolarHBondContact O-N 3.16Å; C249-T252 PolarHBondContact O-OG1 2.98Å; C249-C260 HydrophobicContact CB-CB 3.77Å; C249-C260 WeakPolarHBondContact CB-SG 3.22Å; C249-C260 WeakPolarHBondContact SG-CB 3.5Å; C249-C260 CovalentContact SG-SG 2.03Å; C249-C260 PolarHBondContact SG-SG 2.04Å; C249-V263 HydrophobicContact CB-CG1 3.32Å; C249-V263 WeakPolarHBondContact SG-CG1 3.4Å; C249-L274 HydrophobicContact CB-CD2 3.87Å
250	A	86.8	Confident	76.8	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.5	-38.3	178.1	0	0	0	0	0	112.5	Y221 Q246 C247 T248 T252 W253 F305 L314 Y317 L318	Y221-A250 PolarHBondContact OH-N 2.91Å; Q246-A250 WeakPolarHBondContact O-CB 3.22Å; Q246-A250 PolarHBondContact O-N 3.44Å; C247-A250 PolarHBondContact O-N 3.03Å; T248-A250 PolarHBondContact O-N 3.34Å; A250-T252 PolarHBondContact O-N 3.35Å; A250-W253 WeakPolarHBondContact O-CB 3.23Å; A250-W253 PolarHBondContact O-N 3.24Å; A250-W253 VanDerWaalsContact O-N 3.15Å; A250-F305 HydrophobicContact CB-CE2 3.76Å; A250-F305 HydrophobicContact CB-CZ 4.2Å; A250-L314 HydrophobicContact CB-CD1 4.26Å; A250-Y317 HydrophobicContact CB-CD1 3.91Å; A250-Y317 HydrophobicContact CB-CE1 3.85Å; A250-L318 HydrophobicContact CB-CD2 3.84Å
251	Q	81.4	Confident	77.5	Confident	83 Å²	83	49.7 Å²	49.7	39%	0.388	28%	0.283	S	S	.	.	H	α-helix	trans	-62	-29.1	178	-75.4	168.1	-11.9	0	0	112.7	C247 T248 C249 W253 A254 L318	C247-Q251 WeakPolarHBondContact O-CB 3.48Å; C247-Q251 VanDerWaalsContact O-CG 3.25Å; C247-Q251 WeakPolarHBondContact O-CG 3.49Å; C247-Q251 PolarHBondContact O-N 3.4Å; T248-Q251 PolarHBondContact O-N 3.47Å; C249-Q251 VanDerWaalsContact C-N 3.33Å; C249-Q251 PolarHBondContact O-N 3.1Å; Q251-W253 PolarHBondContact O-N 2.94Å; Q251-W253 VanDerWaalsContact O-N 3.15Å; Q251-A254 WeakPolarHBondContact O-CB 3.37Å; Q251-A254 PolarHBondContact O-N 3.08Å; Q251-L318 HydrophobicContact CG-CD2 3.82Å
252	T	77.9	Confident	77.9	Confident	27 Å²	27	47.5 Å²	47.5	17%	0.166	27%	0.267	C	S	.	.	H	α-helix	trans	-60.3	-25.8	176.5	69.2	0	0	0	0	113.1	T248 C249 A250 A254 G255 C260 L274	T248-T252 WeakPolarHBondContact O-CG2 3.43Å; T248-T252 PolarHBondContact O-N 3.21Å; C249-T252 WeakPolarHBondContact O-CB 3.34Å; C249-T252 PolarHBondContact O-N 3.16Å; C249-T252 PolarHBondContact O-OG1 2.98Å; A250-T252 PolarHBondContact O-N 3.35Å; T252-A254 VanDerWaalsContact C-N 3.32Å; T252-G255 PolarHBondContact O-N 2.75Å; T252-C260 HydrophobicContact CG2-CB 4.09Å; T252-C260 VanDerWaalsContact OG1-CB 3.26Å; T252-C260 WeakPolarHBondContact OG1-CB 3.49Å; T252-C260 PolarHBondContact OG1-N 2.77Å; T252-L274 HydrophobicContact CG2-CD1 4.48Å
253	W	77.8	Confident	78	Confident	76 Å²	76	45.3 Å²	45.3	29%	0.288	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-13	176.2	-72	80	0	0	0	114.1	A250 Q251 G255 I259 C260 F305 G308 L314	A250-W253 WeakPolarHBondContact O-CB 3.23Å; A250-W253 PolarHBondContact O-N 3.24Å; A250-W253 VanDerWaalsContact O-N 3.15Å; Q251-W253 PolarHBondContact O-N 2.94Å; Q251-W253 VanDerWaalsContact O-N 3.15Å; W253-G255 VanDerWaalsContact C-N 3.33Å; W253-I259 HydrophobicContact CD2-CG2 3.47Å; W253-I259 VanDerWaalsContact CD2-CG2 3.47Å; W253-I259 HydrophobicContact CE3-CG2 3.95Å; W253-I259 HydrophobicContact CG-CG2 4Å; W253-I259 HydrophobicContact CH2-CG2 3.79Å; W253-I259 HydrophobicContact CZ2-CG2 3.29Å; W253-I259 HydrophobicContact CZ3-CG2 4.09Å; W253-I259 VanDerWaalsContact NE1-CG2 3.34Å; W253-C260 PolarHBondContact NE1-O 3.49Å; W253-F305 AromaticContact CD1-CD1 3.65Å; W253-F305 AromaticContact CD1-CE1 3.28Å; W253-F305 AromaticContact CD1-CZ 3.83Å; W253-F305 HydrophobicContact CD2-CD1 4.15Å; W253-F305 AromaticContact CD2-CE1 3.73Å; W253-F305 HydrophobicContact CD2-CE1 3.73Å; W253-F305 AromaticContact CE2-CD1 3.36Å; W253-F305 AromaticContact CE2-CE1 3.44Å; W253-F305 VanDerWaalsContact CE2-CE1 3.44Å; W253-F305 HydrophobicContact CG-CD1 4.28Å; W253-F305 AromaticContact CG-CE1 3.62Å; W253-F305 HydrophobicContact CG-CE1 3.62Å; W253-F305 HydrophobicContact CG-CZ 4.23Å; W253-F305 AromaticContact CZ2-CD1 3.78Å; W253-F305 HydrophobicContact CZ2-CD1 3.78Å; W253-F305 HydrophobicContact CZ2-CE1 4.17Å; W253-F305 AromaticContact NE1-CD1 3.03Å; W253-F305 AromaticContact NE1-CE1 3.17Å; W253-F305 AromaticContact NE1-CG 3.85Å; W253-G308 VanDerWaalsContact CH2-CA 3.44Å; W253-G308 WeakPolarHBondContact CZ3-O 3.41Å; W253-L314 HydrophobicContact CB-CD1 4.16Å; W253-L314 HydrophobicContact CB-CD2 3.64Å
254	A	65.8	Low	78	Confident	71 Å²	71	42.3 Å²	42.3	59%	0.587	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	-21.3	168.5	0	0	0	0	0	111.9	Q251 T252	Q251-A254 WeakPolarHBondContact O-CB 3.37Å; Q251-A254 PolarHBondContact O-N 3.08Å; T252-A254 VanDerWaalsContact C-N 3.32Å
255	G	59.4	Low	78.2	Confident	43 Å²	43	42 Å²	42	44%	0.443	23%	0.234	S	C	.	.	S	Bend	trans	-93.1	-176.5	176.7	0	0	0	0	0	113.8	T252 W253	T252-G255 PolarHBondContact O-N 2.75Å; W253-G255 VanDerWaalsContact C-N 3.33Å
256	V	47.5	Very low	78	Confident	145 Å²	145	42.8 Å²	42.8	88%	0.879	24%	0.237	S	C	*	.	S	Bend	trans	-108.4	-7.9	-178	-97.3	0	0	0	0	114.5
257	K	43.1	Very low	77.5	Confident	177 Å²	177	44 Å²	44	77%	0.77	25%	0.247	S	C	*	.	S	Bend	trans	-133.2	148.1	-176.6	-70.2	-172.2	178.3	-175.6	0	112.2
258	N	59.2	Low	76.9	Confident	81 Å²	81	48 Å²	48	43%	0.433	27%	0.268	S	S	.	.	S	Bend	trans	54.1	56.1	178.1	-61.5	-49.8	0	0	0	113.4	Y234 C260 R276	Y234-N258 HydrophobicContact CD2-CB 4.18Å; Y234-N258 HydrophobicContact CE2-CB 3.77Å; Y234-N258 PolarHBondContact OH-O 3.46Å; N258-C260 PolarHBondContact O-N 3.16Å; N258-R276 PolarHBondContact OD1-NH2 2.86Å
259	I	76	Confident	76.2	Confident	70 Å²	70	48.7 Å²	48.7	36%	0.359	27%	0.268	S	S	.	.			trans	-61.5	124.4	175.1	-61.1	177.8	0	0	0	109.1	W253	W253-I259 HydrophobicContact CD2-CG2 3.47Å; W253-I259 VanDerWaalsContact CD2-CG2 3.47Å; W253-I259 HydrophobicContact CE3-CG2 3.95Å; W253-I259 HydrophobicContact CG-CG2 4Å; W253-I259 HydrophobicContact CH2-CG2 3.79Å; W253-I259 HydrophobicContact CZ2-CG2 3.29Å; W253-I259 HydrophobicContact CZ3-CG2 4.09Å; W253-I259 VanDerWaalsContact NE1-CG2 3.34Å
260	C	83.5	Confident	75.6	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.283	C	S	.	.			trans	-77.2	125.5	175.4	178.8	0	0	0	0	110.4	Y234 C249 T252 W253 N258 S262	Y234-C260 HydrophobicContact CE1-CB 4.5Å; Y234-C260 VanDerWaalsContact OH-CA 3.28Å; Y234-C260 WeakPolarHBondContact OH-CA 3.44Å; Y234-C260 WeakPolarHBondContact OH-CB 3.25Å; Y234-C260 PolarHBondContact OH-N 3.41Å; C249-C260 HydrophobicContact CB-CB 3.77Å; C249-C260 WeakPolarHBondContact CB-SG 3.22Å; C249-C260 WeakPolarHBondContact SG-CB 3.5Å; C249-C260 CovalentContact SG-SG 2.03Å; C249-C260 PolarHBondContact SG-SG 2.04Å; T252-C260 HydrophobicContact CG2-CB 4.09Å; T252-C260 VanDerWaalsContact OG1-CB 3.26Å; T252-C260 WeakPolarHBondContact OG1-CB 3.49Å; T252-C260 PolarHBondContact OG1-N 2.77Å; W253-C260 PolarHBondContact NE1-O 3.49Å; N258-C260 PolarHBondContact O-N 3.16Å; C260-S262 PolarHBondContact SG-O 2.86Å
261	S	89.6	Confident	75.1	Confident	28 Å²	28	52.7 Å²	52.7	20%	0.196	29%	0.287	C	S	.	.			trans	-99.8	-31.8	179.4	-60.9	0	0	0	0	112.4	N275 R276 L277 I278 F305	S261-N275 PolarHBondContact N-O 3.44Å; S261-R276 VanDerWaalsContact CB-C 3.44Å; S261-R276 WeakPolarHBondContact CB-O 3.14Å; S261-R276 PolarHBondContact OG-O 2.73Å; S261-L277 WeakPolarHBondContact CB-O 3.31Å; S261-I278 WeakPolarHBondContact O-CG2 3.4Å; S261-F305 WeakPolarHBondContact O-CB 3.4Å; S261-F305 PolarHBondContact O-N 2.03Å
262	S	91.4	Very high	75	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	159.4	174.3	62.7	0	0	0	0	111.7	C260 N275 L277 Y303	C260-S262 PolarHBondContact SG-O 2.86Å; S262-N275 PolarHBondContact N-O 3.41Å; S262-N275 WeakPolarHBondContact O-CB 3.17Å; S262-N275 PolarHBondContact O-N 3.02Å; S262-N275 PolarHBondContact O-ND2 2.84Å; S262-N275 VanDerWaalsContact O-ND2 3.11Å; S262-N275 WeakPolarHBondContact OG-CB 3.31Å; S262-L277 WeakPolarHBondContact CB-O 3.19Å; S262-L277 PolarHBondContact OG-O 2.86Å; S262-Y303 CarbonylContact C-O 3.56Å; S262-Y303 VanDerWaalsContact CA-O 3.26Å; S262-Y303 WeakPolarHBondContact CA-O 2.89Å; S262-Y303 WeakPolarHBondContact CB-O 3.03Å
263	V	92.1	Very high	75.1	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	139	173	-56.1	0	0	0	0	111.5	Y221 Q246 C249 V273 L274 L302 Y303	Y221-V263 HydrophobicContact CE1-CG2 4.27Å; Q246-V263 HydrophobicContact CG-CG2 4.23Å; C249-V263 HydrophobicContact CB-CG1 3.32Å; C249-V263 WeakPolarHBondContact SG-CG1 3.4Å; V263-V273 CarbonylContact C-O 3.5Å; V263-V273 VanDerWaalsContact CA-O 3.26Å; V263-V273 WeakPolarHBondContact CA-O 3.18Å; V263-L274 HydrophobicContact CB-CD2 4.42Å; V263-L274 HydrophobicContact CG1-CD2 3.46Å; V263-L274 VanDerWaalsContact CG1-CD2 3.46Å; V263-L302 CarbonylContact O-C 3.57Å; V263-L302 WeakPolarHBondContact O-CA 3.06Å; V263-Y303 HydrophobicContact CG2-CD2 4.08Å; V263-Y303 HydrophobicContact CG2-CG 4.24Å; V263-Y303 PolarHBondContact N-O 3.38Å; V263-Y303 PolarHBondContact O-N 3.07Å
264	Q	88.1	Confident	75.3	Confident	3 Å²	3	44.4 Å²	44.4	1%	0.014	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	131.4	164.8	-57.1	163.6	54.4	0	0	107.9	F229 Y266 V273 N275 L302	F229-Q264 PolarHBondContact O-NE2 2.81Å; F229-Q264 PolarHBondContact O-OE1 2.88Å; Q264-Y266 HydrophobicContact CB-CE2 4.05Å; Q264-Y266 PolarHBondContact OE1-OH 2.83Å; Q264-V273 HydrophobicContact CB-CB 4.17Å; Q264-V273 PolarHBondContact N-O 3.48Å; Q264-V273 PolarHBondContact O-N 3.07Å; Q264-N275 PolarHBondContact N-ND2 3.01Å; Q264-N275 PolarHBondContact NE2-ND2 3.47Å; Q264-N275 PolarHBondContact NE2-OD1 3.21Å; Q264-L302 HydrophobicContact CG-CD1 3.59Å
265	Y	88.6	Confident	75.9	Confident	22 Å²	22	41 Å²	41	9%	0.086	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126.1	179.8	-171.3	-108.9	0	0	0	111.3	Y240 S241 L242 C245 P267 E271 C272 T300 S301	Y240-Y265 VanDerWaalsContact O-CE2 3.23Å; Y240-Y265 WeakPolarHBondContact O-CE2 3.38Å; Y240-Y265 PolarHBondContact O-OH 3.06Å; S241-Y265 WeakPolarHBondContact CA-OH 3.33Å; L242-Y265 HydrophobicContact CB-CD1 3.84Å; L242-Y265 HydrophobicContact CB-CE1 3.75Å; L242-Y265 HydrophobicContact CB-CE2 4.46Å; L242-Y265 HydrophobicContact CB-CG 4.23Å; L242-Y265 HydrophobicContact CD1-CD1 3.87Å; L242-Y265 HydrophobicContact CD1-CD2 4.35Å; L242-Y265 HydrophobicContact CD1-CG 3.7Å; L242-Y265 HydrophobicContact CG-CD1 4.35Å; L242-Y265 VanDerWaalsContact N-CZ 3.3Å; L242-Y265 PolarHBondContact N-OH 3.07Å; C245-Y265 HydrophobicContact CB-CD2 4.14Å; Y265-P267 HydrophobicContact CD1-CB 4.3Å; Y265-P267 HydrophobicContact CE1-CB 3.91Å; Y265-P267 WeakPolarHBondContact O-CD 3.42Å; Y265-E271 VanDerWaalsContact CD2-O 3.29Å; Y265-E271 WeakPolarHBondContact CD2-O 3.24Å; Y265-C272 HydrophobicContact CD2-CB 4.46Å; Y265-T300 PolarHBondContact O-OG1 3.28Å; Y265-S301 PolarHBondContact N-O 3.41Å; Y265-S301 VanDerWaalsContact N-O 3.1Å; Y265-S301 PolarHBondContact O-N 3Å
266	Y	82	Confident	76.9	Confident	18 Å²	18	43.7 Å²	43.7	7%	0.071	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	90	178	-60.1	-84.4	0	0	0	109	Q264 N268 R269 Q270 E271 V273 L298 T300	Q264-Y266 HydrophobicContact CB-CE2 4.05Å; Q264-Y266 PolarHBondContact OE1-OH 2.83Å; Y266-N268 VanDerWaalsContact C-N 3.31Å; Y266-N268 PolarHBondContact O-N 3.02Å; Y266-R269 PolarHBondContact O-N 3.26Å; Y266-Q270 PolarHBondContact O-N 3.38Å; Y266-E271 HydrophobicContact CD2-CB 4.45Å; Y266-E271 PolarHBondContact N-O 3.39Å; Y266-E271 PolarHBondContact O-N 2.95Å; Y266-V273 HydrophobicContact CD2-CG2 4.27Å; Y266-V273 HydrophobicContact CE2-CG2 3.85Å; Y266-L298 HydrophobicContact CD1-CD1 4.19Å; Y266-L298 HydrophobicContact CE1-CB 4.44Å; Y266-L298 HydrophobicContact CE1-CD1 3.7Å; Y266-T300 VanDerWaalsContact CE1-CB 3.49Å; Y266-T300 HydrophobicContact CE1-CG2 4.16Å; Y266-T300 VanDerWaalsContact CE1-OG1 3.32Å; Y266-T300 WeakPolarHBondContact CE1-OG1 3.5Å
267	P	81.7	Confident	78.2	Confident	50 Å²	50	40 Å²	40	33%	0.325	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-57.1	-38.5	-173.4	19.9	-35.1	0	0	0	114.2	Y265 R269 Q270 N299	Y265-P267 HydrophobicContact CD1-CB 4.3Å; Y265-P267 HydrophobicContact CE1-CB 3.91Å; Y265-P267 WeakPolarHBondContact O-CD 3.42Å; P267-R269 PolarHBondContact O-N 3.1Å; P267-Q270 PolarHBondContact O-N 2.04Å; P267-N299 VanDerWaalsContact CD-O 3.29Å; P267-N299 WeakPolarHBondContact CD-O 3.46Å; P267-N299 HydrophobicContact CG-CB 4.4Å
268	N	74.7	Confident	79.9	Confident	94 Å²	94	34.4 Å²	34.4	50%	0.503	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-63.5	-28.1	179.3	-65.2	-7.1	0	0	0	112.4	Y266 D337	Y266-N268 VanDerWaalsContact C-N 3.31Å; Y266-N268 PolarHBondContact O-N 3.02Å; N268-D337 WeakPolarHBondContact CB-OD2 3.42Å; N268-D337 PolarHBondContact ND2-OD2 2.77Å; N268-D337 VanDerWaalsContact ND2-OD2 3.09Å
269	R	67.1	Low	80.4	Confident	34 Å²	34	32.3 Å²	32.3	13%	0.128	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-99.8	-9.9	-177.5	-58.9	179.2	-171.1	-172.6	-3.7	113.1	Y266 P267 E271 D337 H339 D340	Y266-R269 PolarHBondContact O-N 3.26Å; P267-R269 PolarHBondContact O-N 3.1Å; R269-E271 HydrophobicContact CB-CB 3.73Å; R269-E271 PolarHBondContact O-N 3.01Å; R269-D337 HydrophobicContact CG-CB 4.02Å; R269-H339 PolarHBondContact NH2-O 3.27Å; R269-D340 IonicContact CZ-OD1 2.72Å; R269-D340 IonicContact NH1-OD1 2.94Å; R269-D340 PolarHBondContact NH1-OD1 3.48Å; R269-D340 VanDerWaalsContact NH2-N 3.15Å; R269-D340 IonicContact NH2-OD1 2.69Å
270	Q	74.4	Confident	79.9	Confident	66 Å²	66	36.8 Å²	36.8	31%	0.308	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	41.5	-163.8	-60.8	178.9	-18	0	0	111.2	R238 G239 Y240 Y266 P267 H332	R238-Q270 CarbonylContact C-O 3.1Å; G239-Q270 CarbonylContact C-O 3.55Å; G239-Q270 WeakPolarHBondContact CA-O 3.36Å; G239-Q270 PolarHBondContact N-O 2.96Å; Y240-Q270 PolarHBondContact N-O 2.71Å; Y266-Q270 PolarHBondContact O-N 3.38Å; P267-Q270 PolarHBondContact O-N 2.04Å; Q270-H332 PolarHBondContact OE1-CD2 2.73Å
271	E	75.7	Confident	78.4	Confident	19 Å²	19	38.1 Å²	38.1	9%	0.089	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	130.6	-175.7	-172.5	173.8	78.7	0	0	110.1	V236 Y237 R238 Y265 Y266 R269 V273	V236-E271 HydrophobicContact CG1-CG 3.68Å; Y237-E271 CarbonylContact O-C 3.52Å; Y237-E271 WeakPolarHBondContact O-CA 2.98Å; R238-E271 HydrophobicContact CG-CG 4.14Å; R238-E271 IonicContact CZ-OE2 2.95Å; R238-E271 IonicContact NE-OE2 3.34Å; R238-E271 PolarHBondContact NE-OE2 3.35Å; R238-E271 IonicContact NH2-OE2 3.15Å; Y265-E271 VanDerWaalsContact CD2-O 3.29Å; Y265-E271 WeakPolarHBondContact CD2-O 3.24Å; Y266-E271 HydrophobicContact CD2-CB 4.45Å; Y266-E271 PolarHBondContact N-O 3.39Å; Y266-E271 PolarHBondContact O-N 2.95Å; R269-E271 HydrophobicContact CB-CB 3.73Å; R269-E271 PolarHBondContact O-N 3.01Å; E271-V273 HydrophobicContact CG-CG2 4.5Å
272	C	80	Confident	76.4	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	125	-180	172.5	0	0	0	0	109.2	V236 Y237 Y240 C245 Y265	V236-C272 CarbonylContact C-O 3.56Å; V236-C272 VanDerWaalsContact CA-O 3.29Å; V236-C272 WeakPolarHBondContact CA-O 3.35Å; Y237-C272 PolarHBondContact N-O 3.45Å; Y237-C272 PolarHBondContact O-N 3.01Å; Y240-C272 HydrophobicContact CD1-CB 4.46Å; Y240-C272 HydrophobicContact CG-CB 4.46Å; C245-C272 WeakPolarHBondContact CA-SG 3.26Å; C245-C272 HydrophobicContact CB-CB 3.49Å; C245-C272 VanDerWaalsContact CB-CB 3.49Å; C245-C272 WeakPolarHBondContact CB-SG 3.48Å; C245-C272 VanDerWaalsContact SG-CA 3.55Å; C245-C272 WeakPolarHBondContact SG-CB 3.01Å; C245-C272 CovalentContact SG-SG 2.02Å; C245-C272 PolarHBondContact SG-SG 2.91Å; Y265-C272 HydrophobicContact CD2-CB 4.46Å
273	V	80.3	Confident	74.1	Confident	10 Å²	10	46.6 Å²	46.6	6%	0.061	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	119.1	176.9	-178.5	0	0	0	0	108.8	A233 V236 V263 Q264 Y266 E271 N275	A233-V273 HydrophobicContact CB-CG1 3.37Å; V236-V273 HydrophobicContact CG1-CG2 4.22Å; V236-V273 HydrophobicContact CG2-CG1 4.25Å; V236-V273 HydrophobicContact CG2-CG2 4.12Å; V263-V273 CarbonylContact C-O 3.5Å; V263-V273 VanDerWaalsContact CA-O 3.26Å; V263-V273 WeakPolarHBondContact CA-O 3.18Å; Q264-V273 HydrophobicContact CB-CB 4.17Å; Q264-V273 PolarHBondContact N-O 3.48Å; Q264-V273 PolarHBondContact O-N 3.07Å; Y266-V273 HydrophobicContact CD2-CG2 4.27Å; Y266-V273 HydrophobicContact CE2-CG2 3.85Å; E271-V273 HydrophobicContact CG-CG2 4.5Å; V273-N275 PolarHBondContact O-ND2 2.88Å; V273-N275 VanDerWaalsContact O-ND2 3.1Å
274	L	80.4	Confident	71.9	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	133.8	174.4	-51.6	-167.9	0	0	0	110.2	A233 Y234 Q235 Y237 T248 C249 T252 V263	A233-L274 WeakPolarHBondContact CA-O 3.38Å; Y234-L274 HydrophobicContact CD1-CB 4.31Å; Y234-L274 WeakPolarHBondContact CD1-O 3.23Å; Y234-L274 HydrophobicContact CE1-CB 3.64Å; Y234-L274 HydrophobicContact CE2-CB 4.34Å; Y234-L274 PolarHBondContact N-O 3.43Å; Q235-L274 HydrophobicContact CB-CB 4.18Å; Q235-L274 HydrophobicContact CB-CD1 4.25Å; Q235-L274 HydrophobicContact CB-CG 4.28Å; Q235-L274 PolarHBondContact O-N 3.27Å; Y237-L274 HydrophobicContact CD2-CG 4.4Å; Y237-L274 HydrophobicContact CE2-CD1 3.8Å; Y237-L274 HydrophobicContact CE2-CG 4.11Å; T248-L274 HydrophobicContact CG2-CD1 4.11Å; C249-L274 HydrophobicContact CB-CD2 3.87Å; T252-L274 HydrophobicContact CG2-CD1 4.48Å; V263-L274 HydrophobicContact CB-CD2 4.42Å; V263-L274 HydrophobicContact CG1-CD2 3.46Å; V263-L274 VanDerWaalsContact CG1-CD2 3.46Å
275	N	80.2	Confident	69.9	Low	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	152	-173	-53.5	-77.2	0	0	0	112.1	F229 S232 A233 S261 S262 Q264 V273	F229-N275 HydrophobicContact CD2-CB 4.3Å; S232-N275 CarbonylContact O-C 3.33Å; S232-N275 VanDerWaalsContact O-CA 3.28Å; S232-N275 WeakPolarHBondContact O-CA 2.86Å; S232-N275 WeakPolarHBondContact OG-CB 3.1Å; A233-N275 WeakPolarHBondContact CA-OD1 3.48Å; A233-N275 PolarHBondContact N-OD1 3.18Å; S261-N275 PolarHBondContact N-O 3.44Å; S262-N275 PolarHBondContact N-O 3.41Å; S262-N275 WeakPolarHBondContact O-CB 3.17Å; S262-N275 PolarHBondContact O-N 3.02Å; S262-N275 PolarHBondContact O-ND2 2.84Å; S262-N275 VanDerWaalsContact O-ND2 3.11Å; S262-N275 WeakPolarHBondContact OG-CB 3.31Å; Q264-N275 PolarHBondContact N-ND2 3.01Å; Q264-N275 PolarHBondContact NE2-ND2 3.47Å; Q264-N275 PolarHBondContact NE2-OD1 3.21Å; V273-N275 PolarHBondContact O-ND2 2.88Å; V273-N275 VanDerWaalsContact O-ND2 3.1Å
276	R	78.6	Confident	67.9	Low	100 Å²	100	65.6 Å²	65.6	38%	0.377	34%	0.34	S	S	.	.	S	Bend	trans	-86.5	-17.8	175.9	-64.6	-176.7	174.3	163	-5.2	114.4	S232 Y234 N258 S261 R711	S232-R276 PolarHBondContact O-N 2.89Å; Y234-R276 HydrophobicContact CD1-CG 3.6Å; Y234-R276 HydrophobicContact CE1-CG 4.22Å; Y234-R276 HydrophobicContact CG-CG 4.2Å; N258-R276 PolarHBondContact OD1-NH2 2.86Å; S261-R276 VanDerWaalsContact CB-C 3.44Å; S261-R276 WeakPolarHBondContact CB-O 3.14Å; S261-R276 PolarHBondContact OG-O 2.73Å; R276-R711 VanDerWaalsContact NH2-CZ 3.32Å
277	L	76.3	Confident	66.1	Low	66 Å²	66	73.2 Å²	73.2	35%	0.346	38%	0.377	S	S	.	.			trans	-102.4	159.4	-175.1	-62.3	-179.6	0	0	0	112.4	F229 S232 S261 S262 D291	F229-L277 HydrophobicContact CD1-CB 4.31Å; F229-L277 HydrophobicContact CD1-CD1 4.37Å; F229-L277 HydrophobicContact CE1-CB 3.86Å; F229-L277 HydrophobicContact CE1-CD1 4.27Å; F229-L277 HydrophobicContact CE2-CB 4.24Å; F229-L277 HydrophobicContact CZ-CB 3.85Å; S232-L277 VanDerWaalsContact CB-CG 3.49Å; S261-L277 WeakPolarHBondContact CB-O 3.31Å; S262-L277 WeakPolarHBondContact CB-O 3.19Å; S262-L277 PolarHBondContact OG-O 2.86Å; L277-D291 HydrophobicContact CD1-CB 4.39Å
278	I	77.4	Confident	64.7	Low	61 Å²	61	72.7 Å²	72.7	31%	0.313	37%	0.372	S	S	.	.			trans	-118.8	162.9	165.7	45.6	166.7	0	0	0	108.7	S261 K280 V288 E304	S261-I278 WeakPolarHBondContact O-CG2 3.4Å; I278-K280 VanDerWaalsContact C-N 3.28Å; I278-K280 WeakPolarHBondContact CD1-O 3.29Å; I278-K280 WeakPolarHBondContact CG1-O 3.41Å; I278-K280 PolarHBondContact O-N 3.19Å; I278-V288 WeakPolarHBondContact O-CG2 3.43Å; I278-E304 HydrophobicContact CG2-CB 4.4Å
279	T	69.8	Low	63.7	Low	37 Å²	37	70.3 Å²	70.3	23%	0.227	37%	0.37	C	S	.	.	S	Bend	trans	-73.6	-15.3	-176.8	64.4	0	0	0	0	114.2	F229 V288 L292 L302 E304	F229-T279 HydrophobicContact CZ-CG2 4.36Å; T279-V288 VanDerWaalsContact O-CG2 3.26Å; T279-V288 WeakPolarHBondContact O-CG2 3.36Å; T279-L292 HydrophobicContact CG2-CD1 4.18Å; T279-L292 HydrophobicContact CG2-CD2 3.81Å; T279-L302 HydrophobicContact CG2-CD2 3.41Å; T279-L302 VanDerWaalsContact CG2-CD2 3.41Å; T279-E304 WeakPolarHBondContact CA-OE1 3.09Å; T279-E304 WeakPolarHBondContact CB-OE1 3.5Å; T279-E304 VanDerWaalsContact CG2-OE1 3.25Å; T279-E304 WeakPolarHBondContact CG2-OE1 3.32Å; T279-E304 PolarHBondContact N-OE1 3.13Å; T279-E304 PolarHBondContact OG1-OE1 2.83Å
280	K	65.7	Low	63.1	Low	163 Å²	163	74.2 Å²	74.2	71%	0.709	39%	0.393	S	S	*	.	S	Bend	trans	-110.2	118.9	171.4	-67	-175.5	178.2	-174.6	0	108.2	I278	I278-K280 VanDerWaalsContact C-N 3.28Å; I278-K280 WeakPolarHBondContact CD1-O 3.29Å; I278-K280 WeakPolarHBondContact CG1-O 3.41Å; I278-K280 PolarHBondContact O-N 3.19Å
281	G	52.6	Low	62.8	Low	28 Å²	28	72.8 Å²	72.8	29%	0.289	39%	0.388	S	S	.	.			trans	-49.6	153.4	173.8	0	0	0	0	0	112.9	T283 D286	G281-T283 PolarHBondContact O-N 3.36Å; G281-D286 VanDerWaalsContact CA-O 3.29Å; G281-D286 WeakPolarHBondContact CA-O 3.08Å
282	T	47	Very low	62.9	Low	129 Å²	129	74.1 Å²	74.1	79%	0.791	40%	0.395	S	S	*	.	S	Bend	trans	-64.8	-17.9	175.4	33	0	0	0	0	112.8	D286	T282-D286 PolarHBondContact N-OD2 3.28Å; T282-D286 PolarHBondContact OG1-OD2 2.94Å
283	T	42.5	Very low	62.7	Low	77 Å²	77	75 Å²	75	47%	0.472	40%	0.399	S	S	.	.	S	Bend	trans	-131.3	156.9	170.9	59.2	0	0	0	0	109.9	G281 D285 D286	G281-T283 PolarHBondContact O-N 3.36Å; T283-D285 PolarHBondContact O-N 2.95Å; T283-D285 VanDerWaalsContact O-N 3.1Å; T283-D286 PolarHBondContact N-OD2 3.4Å; T283-D286 PolarHBondContact O-N 2.84Å; T283-D286 PolarHBondContact OG1-N 2.62Å; T283-D286 PolarHBondContact OG1-OD2 1.95Å
284	E	47.7	Very low	62.7	Low	204 Å²	204	77.6 Å²	77.6	95%	0.953	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-17.4	174.6	-72.1	-177.5	159.8	0	0	112.7
285	D	46.2	Very low	62.6	Low	150 Å²	150	77.6 Å²	77.6	80%	0.802	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-11.2	177.5	-60	-41.3	0	0	0	113.7	T283 E287	T283-D285 PolarHBondContact O-N 2.95Å; T283-D285 VanDerWaalsContact O-N 3.1Å; D285-E287 PolarHBondContact O-N 3.46Å
286	D	45.4	Very low	62.4	Low	70 Å²	70	80.5 Å²	80.5	37%	0.374	42%	0.422	S	S	.	.			trans	-81.3	74.2	172.3	-71.2	-41.3	0	0	0	108	G281 T282 T283 V288	G281-D286 VanDerWaalsContact CA-O 3.29Å; G281-D286 WeakPolarHBondContact CA-O 3.08Å; T282-D286 PolarHBondContact N-OD2 3.28Å; T282-D286 PolarHBondContact OG1-OD2 2.94Å; T283-D286 PolarHBondContact N-OD2 3.4Å; T283-D286 PolarHBondContact O-N 2.84Å; T283-D286 PolarHBondContact OG1-N 2.62Å; T283-D286 PolarHBondContact OG1-OD2 1.95Å; D286-V288 PolarHBondContact O-N 2.93Å
287	E	44.3	Very low	62	Low	179 Å²	179	76 Å²	76	84%	0.836	41%	0.405	S	S	*	.			trans	-52.2	118.2	161	-78.9	-171.3	166	0	0	106.8	D285 G289	D285-E287 PolarHBondContact O-N 3.46Å; E287-G289 PolarHBondContact O-N 2.83Å
288	V	52	Low	61.7	Low	39 Å²	39	73 Å²	73	24%	0.236	39%	0.39	C	S	.	.			trans	-61.1	94.4	164.5	179.6	0	0	0	0	104.3	F229 I278 T279 D286 L292	F229-V288 HydrophobicContact CE1-CG1 3.56Å; F229-V288 HydrophobicContact CZ-CG1 4.24Å; I278-V288 WeakPolarHBondContact O-CG2 3.43Å; T279-V288 VanDerWaalsContact O-CG2 3.26Å; T279-V288 WeakPolarHBondContact O-CG2 3.36Å; D286-V288 PolarHBondContact O-N 2.93Å; V288-L292 HydrophobicContact CG1-CB 3.59Å; V288-L292 HydrophobicContact CG1-CD2 4.3Å
289	G	53.4	Low	61.8	Low	43 Å²	43	74.2 Å²	74.2	44%	0.443	40%	0.397	S	S	.	.			trans	-62.5	-157.9	-171.4	0	0	0	0	0	112.7	E287 D291 L292	E287-G289 PolarHBondContact O-N 2.83Å; G289-D291 PolarHBondContact O-N 2.86Å; G289-L292 PolarHBondContact O-N 2.81Å
290	D	55	Low	62.5	Low	116 Å²	116	72.6 Å²	72.6	62%	0.62	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	1.6	-178	-64.5	-32.1	0	0	0	116.1
291	D	68	Low	63.5	Low	37 Å²	37	65.4 Å²	65.4	20%	0.198	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-31.1	179	-71.4	-6.1	0	0	0	113.4	F229 I230 K231 L277 G289	F229-D291 CarbonylContact C-O 3.57Å; F229-D291 WeakPolarHBondContact CA-O 3.49Å; F229-D291 HydrophobicContact CD1-CB 4.36Å; I230-D291 PolarHBondContact N-O 3.4Å; K231-D291 WeakPolarHBondContact CD-OD1 3.44Å; K231-D291 WeakPolarHBondContact CG-OD1 3.49Å; K231-D291 IonicContact NZ-OD1 2.94Å; L277-D291 HydrophobicContact CD1-CB 4.39Å; G289-D291 PolarHBondContact O-N 2.86Å
292	L	78.8	Confident	65.4	Low	47 Å²	47	64 Å²	64	25%	0.246	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	118.7	175.4	-178	66.9	0	0	0	109.9	H227 F229 T279 V288 G289 L302	H227-L292 HydrophobicContact CB-CD1 4.15Å; F229-L292 HydrophobicContact CD1-CB 4.01Å; F229-L292 HydrophobicContact CD1-CD1 4.1Å; F229-L292 HydrophobicContact CE1-CB 3.73Å; F229-L292 HydrophobicContact CE1-CD1 3.87Å; F229-L292 HydrophobicContact CE1-CG 4.31Å; F229-L292 HydrophobicContact CE2-CD1 4.33Å; F229-L292 HydrophobicContact CG-CD1 4.43Å; F229-L292 HydrophobicContact CZ-CD1 3.97Å; T279-L292 HydrophobicContact CG2-CD1 4.18Å; T279-L292 HydrophobicContact CG2-CD2 3.81Å; V288-L292 HydrophobicContact CG1-CB 3.59Å; V288-L292 HydrophobicContact CG1-CD2 4.3Å; G289-L292 PolarHBondContact O-N 2.81Å; L292-L302 HydrophobicContact CD1-CD2 3.91Å
293	I	76.1	Confident	67.6	Low	17 Å²	17	59.2 Å²	59.2	9%	0.087	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	146.8	-178.7	61	156.9	0	0	0	111.4	H227 A228 I230 V295 I360	H227-I293 VanDerWaalsContact CA-O 3.25Å; H227-I293 WeakPolarHBondContact CA-O 3.5Å; A228-I293 HydrophobicContact CB-CD1 4.49Å; A228-I293 HydrophobicContact CB-CG1 4.16Å; A228-I293 PolarHBondContact N-O 3.03Å; A228-I293 VanDerWaalsContact O-CG1 3.31Å; A228-I293 WeakPolarHBondContact O-CG1 3.49Å; A228-I293 PolarHBondContact O-N 3.11Å; I230-I293 HydrophobicContact CD1-CB 4.34Å; I230-I293 HydrophobicContact CD1-CD1 3.82Å; I230-I293 HydrophobicContact CD1-CG1 4.04Å; I230-I293 HydrophobicContact CD1-CG2 3.45Å; I230-I293 VanDerWaalsContact CD1-CG2 3.45Å; I230-I293 HydrophobicContact CG1-CD1 3.7Å; I230-I293 HydrophobicContact CG1-CG1 3.86Å; I230-I293 HydrophobicContact CG1-CG2 4.13Å; I293-V295 HydrophobicContact CD1-CG2 3.5Å; I293-V295 VanDerWaalsContact CD1-CG2 3.5Å; I293-V295 HydrophobicContact CG1-CG2 3.8Å; I293-I360 HydrophobicContact CB-CG2 4.01Å; I293-I360 HydrophobicContact CD1-CD1 4.18Å; I293-I360 HydrophobicContact CD1-CG2 3.74Å; I293-I360 HydrophobicContact CG1-CG2 4.47Å; I293-I360 HydrophobicContact CG2-CG2 3.8Å
294	E	80.1	Confident	70	Confident	66 Å²	66	57 Å²	57	31%	0.308	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	131.9	162.9	-164.3	-169.5	162.5	0	0	108.9	Q226 R296	Q226-E294 CarbonylContact O-C 3.59Å; Q226-E294 WeakPolarHBondContact O-CA 3.3Å; E294-R296 VanDerWaalsContact CD-NE 3.32Å; E294-R296 HydrophobicContact CG-CG 4.34Å; E294-R296 WeakPolarHBondContact OE1-CG 3.33Å; E294-R296 IonicContact OE1-CZ 3.74Å; E294-R296 IonicContact OE1-NE 3.4Å; E294-R296 PolarHBondContact OE1-NE 2.83Å; E294-R296 IonicContact OE1-NH2 3.92Å; E294-R296 PolarHBondContact OE1-NH2 3.33Å; E294-R296 IonicContact OE2-CZ 2.88Å; E294-R296 IonicContact OE2-NE 3.75Å; E294-R296 PolarHBondContact OE2-NE 3.01Å; E294-R296 IonicContact OE2-NH2 3.73Å; E294-R296 PolarHBondContact OE2-NH2 3.48Å
295	V	78.6	Confident	72	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.253	C	S	.	.			trans	-122.3	98.1	-179.2	-179.3	0	0	0	0	109.7	Q226 A228 I293 L298 T300	Q226-V295 WeakPolarHBondContact CB-O 3.46Å; Q226-V295 PolarHBondContact O-N 2.96Å; A228-V295 HydrophobicContact CB-CG2 3.59Å; I293-V295 HydrophobicContact CD1-CG2 3.5Å; I293-V295 VanDerWaalsContact CD1-CG2 3.5Å; I293-V295 HydrophobicContact CG1-CG2 3.8Å; V295-L298 HydrophobicContact CG1-CB 3.56Å; V295-L298 HydrophobicContact CG1-CD1 4.04Å; V295-L298 HydrophobicContact CG1-CG 3.96Å; V295-T300 HydrophobicContact CB-CG2 3.81Å; V295-T300 HydrophobicContact CG1-CG2 3.87Å; V295-T300 HydrophobicContact CG2-CG2 4.41Å
296	R	76.1	Confident	74.2	Confident	62 Å²	62	43.6 Å²	43.6	23%	0.234	23%	0.231	C	C	.	.	S	Bend	trans	-91.1	-12.5	178	-59.9	-177.6	-171.5	153.7	10.2	112.5	E294 E361 R433 E437	E294-R296 VanDerWaalsContact CD-NE 3.32Å; E294-R296 HydrophobicContact CG-CG 4.34Å; E294-R296 WeakPolarHBondContact OE1-CG 3.33Å; E294-R296 IonicContact OE1-CZ 3.74Å; E294-R296 IonicContact OE1-NE 3.4Å; E294-R296 PolarHBondContact OE1-NE 2.83Å; E294-R296 IonicContact OE1-NH2 3.92Å; E294-R296 PolarHBondContact OE1-NH2 3.33Å; E294-R296 IonicContact OE2-CZ 2.88Å; E294-R296 IonicContact OE2-NE 3.75Å; E294-R296 PolarHBondContact OE2-NE 3.01Å; E294-R296 IonicContact OE2-NH2 3.73Å; E294-R296 PolarHBondContact OE2-NH2 3.48Å; R296-E361 WeakPolarHBondContact CA-OE1 3.26Å; R296-E361 HydrophobicContact CB-CG 4.28Å; R296-E361 WeakPolarHBondContact CB-OE1 3.5Å; R296-E361 HydrophobicContact CG-CG 4.41Å; R296-E361 PolarHBondContact N-OE1 3.29Å; R296-R433 WeakPolarHBondContact O-CD 3.43Å; R296-R433 WeakPolarHBondContact O-CG 3.23Å; R296-R433 PolarHBondContact O-NE 2.96Å; R296-R433 PolarHBondContact O-NH1 3.38Å; R296-R433 PolarHBondContact O-NH2 2.8Å; R296-R433 VanDerWaalsContact O-NH2 3.12Å; R296-E437 IonicContact CZ-OE2 3.02Å; R296-E437 IonicContact NE-OE2 3.68Å; R296-E437 IonicContact NH2-OE2 3.8Å
297	T	68.7	Low	76.3	Confident	4 Å²	4	40.3 Å²	40.3	3%	0.025	21%	0.214	C	C	.	.	S	Bend	trans	-99.9	-20	-176	42.9	0	0	0	0	112.7	E361 R364 F368 L430	T297-E361 WeakPolarHBondContact CB-OE1 3.5Å; T297-E361 WeakPolarHBondContact CG2-OE1 2.97Å; T297-E361 PolarHBondContact N-OE1 3.34Å; T297-E361 PolarHBondContact OG1-OE1 2.81Å; T297-E361 PolarHBondContact OG1-OE2 2.81Å; T297-R364 PolarHBondContact OG1-NE 2.84Å; T297-R364 VanDerWaalsContact OG1-NE 3.08Å; T297-R364 PolarHBondContact OG1-NH1 3.19Å; T297-R364 VanDerWaalsContact OG1-NH1 3.11Å; T297-R364 PolarHBondContact OG1-NH2 3.21Å; T297-F368 HydrophobicContact CG2-CD2 3.9Å; T297-F368 HydrophobicContact CG2-CE2 3.57Å; T297-L430 HydrophobicContact CG2-CD2 4.44Å; T297-L430 WeakPolarHBondContact O-CD2 3.27Å
298	L	70.9	Confident	78.1	Confident	4 Å²	4	32.5 Å²	32.5	2%	0.021	18%	0.181	C	C	.	.	S	Bend	trans	-98	148.7	171.4	-62.5	166.9	0	0	0	111.5	Y266 V295 T300 H339 I341 R364 R433	Y266-L298 HydrophobicContact CD1-CD1 4.19Å; Y266-L298 HydrophobicContact CE1-CB 4.44Å; Y266-L298 HydrophobicContact CE1-CD1 3.7Å; V295-L298 HydrophobicContact CG1-CB 3.56Å; V295-L298 HydrophobicContact CG1-CD1 4.04Å; V295-L298 HydrophobicContact CG1-CG 3.96Å; L298-T300 HydrophobicContact CB-CG2 4.24Å; L298-T300 PolarHBondContact O-N 2.79Å; L298-H339 HydrophobicContact CD2-CB 3.3Å; L298-H339 HydrophobicContact CG-CB 4.2Å; L298-I341 HydrophobicContact CD1-CD1 3.9Å; L298-I341 HydrophobicContact CD1-CG1 4.28Å; L298-R364 VanDerWaalsContact CG-NH2 3.32Å; L298-R433 PolarHBondContact O-NH1 2.02Å; L298-R433 PolarHBondContact O-NH2 2.78Å; L298-R433 VanDerWaalsContact O-NH2 3.09Å
299	N	78.8	Confident	79.6	Confident	87 Å²	87	36.8 Å²	36.8	47%	0.465	21%	0.213	S	C	.	.			trans	-80.2	95	157.3	-172.4	14.6	0	0	0	106.6	P267	P267-N299 VanDerWaalsContact CD-O 3.29Å; P267-N299 WeakPolarHBondContact CD-O 3.46Å; P267-N299 HydrophobicContact CG-CB 4.4Å
300	T	83.7	Confident	81.1	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.012	21%	0.212	C	C	.	.			trans	-135.2	152.7	177.8	-172.6	0	0	0	0	110.2	Q226 Y265 Y266 V295 L298	Q226-T300 PolarHBondContact N-O 3.38Å; Q226-T300 VanDerWaalsContact N-O 3.07Å; Y265-T300 PolarHBondContact O-OG1 3.28Å; Y266-T300 VanDerWaalsContact CE1-CB 3.49Å; Y266-T300 HydrophobicContact CE1-CG2 4.16Å; Y266-T300 VanDerWaalsContact CE1-OG1 3.32Å; Y266-T300 WeakPolarHBondContact CE1-OG1 3.5Å; V295-T300 HydrophobicContact CB-CG2 3.81Å; V295-T300 HydrophobicContact CG1-CG2 3.87Å; V295-T300 HydrophobicContact CG2-CG2 4.41Å; L298-T300 HydrophobicContact CB-CG2 4.24Å; L298-T300 PolarHBondContact O-N 2.79Å
301	S	87.8	Confident	82.3	Confident	12 Å²	12	41.4 Å²	41.4	8%	0.084	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	133.7	172.4	-69.5	0	0	0	0	109.1	Q223 Y265 Y303	Q223-S301 PolarHBondContact NE2-OG 3.45Å; Y265-S301 PolarHBondContact N-O 3.41Å; Y265-S301 VanDerWaalsContact N-O 3.1Å; Y265-S301 PolarHBondContact O-N 3Å; S301-Y303 VanDerWaalsContact CB-CE2 3.47Å; S301-Y303 WeakPolarHBondContact O-CD2 3.04Å; S301-Y303 WeakPolarHBondContact O-CE2 3.42Å
302	L	91.4	Very high	83	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	132.4	170.2	-177.1	69.1	0	0	0	108.3	Q223 T224 H227 F229 V263 Q264 T279 L292	Q223-L302 CarbonylContact C-O 3.38Å; Q223-L302 WeakPolarHBondContact CA-O 3.43Å; T224-L302 PolarHBondContact N-O 3.48Å; T224-L302 PolarHBondContact O-N 3.04Å; H227-L302 HydrophobicContact CB-CB 4.46Å; F229-L302 HydrophobicContact CD2-CD1 3.7Å; F229-L302 HydrophobicContact CD2-CD2 4.15Å; F229-L302 HydrophobicContact CE2-CD1 3.87Å; F229-L302 HydrophobicContact CE2-CD2 3.69Å; F229-L302 HydrophobicContact CE2-CG 4.4Å; F229-L302 HydrophobicContact CZ-CD2 4.37Å; V263-L302 CarbonylContact O-C 3.57Å; V263-L302 WeakPolarHBondContact O-CA 3.06Å; Q264-L302 HydrophobicContact CG-CD1 3.59Å; T279-L302 HydrophobicContact CG2-CD2 3.41Å; T279-L302 VanDerWaalsContact CG2-CD2 3.41Å; L292-L302 HydrophobicContact CD1-CD2 3.91Å
303	Y	94.3	Very high	83.4	Confident	27 Å²	27	51.9 Å²	51.9	11%	0.106	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	112.3	176.7	-58.4	-98.1	0	0	0	109	T222 Q223 L242 S262 V263 S301	T222-Y303 CarbonylContact O-C 3.39Å; T222-Y303 VanDerWaalsContact O-CA 3.23Å; T222-Y303 WeakPolarHBondContact O-CA 3.35Å; Q223-Y303 HydrophobicContact CB-CD1 3.94Å; Q223-Y303 HydrophobicContact CB-CE1 3.9Å; Q223-Y303 HydrophobicContact CG-CD1 4.07Å; Q223-Y303 HydrophobicContact CG-CE1 3.68Å; L242-Y303 HydrophobicContact CD1-CD2 3.95Å; L242-Y303 HydrophobicContact CD1-CE1 4.34Å; L242-Y303 HydrophobicContact CD1-CE2 3.47Å; L242-Y303 VanDerWaalsContact CD1-CE2 3.47Å; L242-Y303 HydrophobicContact CD2-CE1 4.21Å; L242-Y303 HydrophobicContact CD2-CE2 4.39Å; L242-Y303 WeakPolarHBondContact CD2-OH 3.33Å; S262-Y303 CarbonylContact C-O 3.56Å; S262-Y303 VanDerWaalsContact CA-O 3.26Å; S262-Y303 WeakPolarHBondContact CA-O 2.89Å; S262-Y303 WeakPolarHBondContact CB-O 3.03Å; V263-Y303 HydrophobicContact CG2-CD2 4.08Å; V263-Y303 HydrophobicContact CG2-CG 4.24Å; V263-Y303 PolarHBondContact N-O 3.38Å; V263-Y303 PolarHBondContact O-N 3.07Å; S301-Y303 VanDerWaalsContact CB-CE2 3.47Å; S301-Y303 WeakPolarHBondContact O-CD2 3.04Å; S301-Y303 WeakPolarHBondContact O-CE2 3.42Å
304	E	92.2	Very high	83.8	Confident	30 Å²	30	51.3 Å²	51.3	14%	0.14	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	139.9	-179.4	-51.8	-178.8	122.8	0	0	110.9	Y221 T222 I278 T279	Y221-E304 VanDerWaalsContact CA-O 3.27Å; Y221-E304 WeakPolarHBondContact CA-O 2.87Å; Y221-E304 WeakPolarHBondContact CD1-O 3.18Å; T222-E304 PolarHBondContact N-O 3.1Å; T222-E304 VanDerWaalsContact N-O 3.16Å; T222-E304 PolarHBondContact O-N 2.7Å; T222-E304 PolarHBondContact OG1-OE2 3.48Å; I278-E304 HydrophobicContact CG2-CB 4.4Å; T279-E304 WeakPolarHBondContact CA-OE1 3.09Å; T279-E304 WeakPolarHBondContact CB-OE1 3.5Å; T279-E304 VanDerWaalsContact CG2-OE1 3.25Å; T279-E304 WeakPolarHBondContact CG2-OE1 3.32Å; T279-E304 PolarHBondContact N-OE1 3.13Å; T279-E304 PolarHBondContact OG1-OE1 2.83Å
305	F	91.2	Very high	83.7	Confident	17 Å²	17	52.8 Å²	52.8	8%	0.075	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	125	179.7	-170	-106	0	0	0	111.2	C220 Y221 A250 W253 S261 C307 L314	C220-F305 HydrophobicContact CB-CD2 4.23Å; C220-F305 HydrophobicContact CB-CE2 3.72Å; C220-F305 HydrophobicContact CB-CZ 4.44Å; Y221-F305 HydrophobicContact CD1-CD2 4.43Å; Y221-F305 HydrophobicContact CE1-CB 4.13Å; Y221-F305 AromaticContact CE1-CD2 3.68Å; Y221-F305 HydrophobicContact CE1-CD2 3.68Å; Y221-F305 HydrophobicContact CE1-CG 4.42Å; Y221-F305 HydrophobicContact CE2-CD2 4.06Å; Y221-F305 HydrophobicContact CE2-CE2 4.3Å; Y221-F305 AromaticContact CZ-CD2 3.46Å; Y221-F305 VanDerWaalsContact CZ-CD2 3.46Å; Y221-F305 WeakPolarHBondContact OH-CD2 3.1Å; A250-F305 HydrophobicContact CB-CE2 3.76Å; A250-F305 HydrophobicContact CB-CZ 4.2Å; W253-F305 AromaticContact CD1-CD1 3.65Å; W253-F305 AromaticContact CD1-CE1 3.28Å; W253-F305 AromaticContact CD1-CZ 3.83Å; W253-F305 HydrophobicContact CD2-CD1 4.15Å; W253-F305 AromaticContact CD2-CE1 3.73Å; W253-F305 HydrophobicContact CD2-CE1 3.73Å; W253-F305 AromaticContact CE2-CD1 3.36Å; W253-F305 AromaticContact CE2-CE1 3.44Å; W253-F305 VanDerWaalsContact CE2-CE1 3.44Å; W253-F305 HydrophobicContact CG-CD1 4.28Å; W253-F305 AromaticContact CG-CE1 3.62Å; W253-F305 HydrophobicContact CG-CE1 3.62Å; W253-F305 HydrophobicContact CG-CZ 4.23Å; W253-F305 AromaticContact CZ2-CD1 3.78Å; W253-F305 HydrophobicContact CZ2-CD1 3.78Å; W253-F305 HydrophobicContact CZ2-CE1 4.17Å; W253-F305 AromaticContact NE1-CD1 3.03Å; W253-F305 AromaticContact NE1-CE1 3.17Å; W253-F305 AromaticContact NE1-CG 3.85Å; S261-F305 WeakPolarHBondContact O-CB 3.4Å; S261-F305 PolarHBondContact O-N 2.03Å; F305-C307 HydrophobicContact CE1-CB 3.93Å; F305-C307 HydrophobicContact CE2-CB 4.12Å; F305-C307 HydrophobicContact CZ-CB 3.56Å; F305-L314 HydrophobicContact CZ-CD1 3.78Å
306	T	91.7	Very high	83.9	Confident	57 Å²	57	56.8 Å²	56.8	35%	0.35	27%	0.269	S	S	.	.			trans	-117	-3.2	-172	57.8	0	0	0	0	114.2	C220 T222	C220-T306 PolarHBondContact O-N 3.18Å; C220-T306 PolarHBondContact O-OG1 2.76Å; T222-T306 HydrophobicContact CG2-CG2 3.94Å
307	C	89.6	Confident	84.3	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.259	C	S	.	.			trans	-94.7	-2.8	-178	-74.4	0	0	0	0	114.7	C220 F305 S309 N310 R313 L314	C220-C307 WeakPolarHBondContact CA-SG 2.89Å; C220-C307 HydrophobicContact CB-CB 3.72Å; C220-C307 WeakPolarHBondContact CB-SG 3.49Å; C220-C307 WeakPolarHBondContact SG-CB 3.15Å; C220-C307 CovalentContact SG-SG 2.02Å; C220-C307 PolarHBondContact SG-SG 3.2Å; F305-C307 HydrophobicContact CE1-CB 3.93Å; F305-C307 HydrophobicContact CE2-CB 4.12Å; F305-C307 HydrophobicContact CZ-CB 3.56Å; C307-S309 VanDerWaalsContact C-N 3.31Å; C307-S309 PolarHBondContact O-N 2.95Å; C307-N310 CarbonylContact O-C 3.54Å; C307-N310 PolarHBondContact O-N 3.29Å; C307-R313 WeakPolarHBondContact SG-CD 3.22Å; C307-R313 VanDerWaalsContact SG-CG 3.54Å; C307-L314 HydrophobicContact CB-CB 4.28Å
308	G	82.5	Confident	84.9	Confident	15 Å²	15	55.4 Å²	55.4	16%	0.155	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-41.2	-171.1	0	0	0	0	0	114.4	W253 N310	W253-G308 VanDerWaalsContact CH2-CA 3.44Å; W253-G308 WeakPolarHBondContact CZ3-O 3.41Å; G308-N310 VanDerWaalsContact C-N 3.35Å; G308-N310 PolarHBondContact O-N 3.49Å
309	S	81.7	Confident	85.2	Confident	129 Å²	129	61.8 Å²	61.8	90%	0.902	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-12.7	-179.9	-42.3	0	0	0	0	114	C307	C307-S309 VanDerWaalsContact C-N 3.31Å; C307-S309 PolarHBondContact O-N 2.95Å
310	N	85.1	Confident	85.3	Confident	80 Å²	80	62.2 Å²	62.2	43%	0.428	30%	0.301	S	S	.	.			trans	-120	89.5	-175.6	-172.3	-28.3	0	0	0	111	C307 G308 R312 R313 L314	C307-N310 CarbonylContact O-C 3.54Å; C307-N310 PolarHBondContact O-N 3.29Å; G308-N310 VanDerWaalsContact C-N 3.35Å; G308-N310 PolarHBondContact O-N 3.49Å; N310-R312 VanDerWaalsContact C-N 3.27Å; N310-R312 PolarHBondContact O-N 3.32Å; N310-R312 PolarHBondContact OD1-N 2.84Å; N310-R313 HydrophobicContact CB-CB 4.01Å; N310-R313 PolarHBondContact O-N 2.02Å; N310-R313 VanDerWaalsContact O-N 3.08Å; N310-R313 PolarHBondContact OD1-N 3.37Å; N310-L314 PolarHBondContact O-N 2.81Å
311	R	81.4	Confident	85.3	Confident	176 Å²	176	64.3 Å²	64.3	66%	0.664	31%	0.314	S	S	*	.	H	α-helix	trans	-54	-39.8	-179.7	-69.9	-170.5	78.8	166.4	5.1	113.1	R313 L314 F315	R311-R313 PolarHBondContact O-N 2.78Å; R311-L314 PolarHBondContact O-N 3.12Å; R311-F315 HydrophobicContact CB-CD2 4.3Å; R311-F315 HydrophobicContact CB-CE2 4.21Å; R311-F315 WeakPolarHBondContact O-CD2 3.22Å; R311-F315 PolarHBondContact O-N 3.23Å
312	R	81.9	Confident	84.9	Confident	211 Å²	211	64.1 Å²	64.1	80%	0.796	31%	0.313	S	S	*	.	H	α-helix	trans	-61.5	-46.3	178.8	178.9	-176.9	-99.4	-172.7	-5.2	110.9	N310 F315 Q316	N310-R312 VanDerWaalsContact C-N 3.27Å; N310-R312 PolarHBondContact O-N 3.32Å; N310-R312 PolarHBondContact OD1-N 2.84Å; R312-F315 PolarHBondContact O-N 3.01Å; R312-Q316 WeakPolarHBondContact O-CB 3.32Å; R312-Q316 PolarHBondContact O-N 3.27Å
313	R	88.3	Confident	83.3	Confident	94 Å²	94	68.5 Å²	68.5	36%	0.355	34%	0.344	S	S	.	.	H	α-helix	trans	-66.3	-40.5	178.1	-166.7	-175.5	173.4	175	1.7	111.7	P218 S219 C307 N310 R311 Q316 Y317	P218-R313 HydrophobicContact CB-CG 3.94Å; S219-R313 VanDerWaalsContact O-CZ 3.24Å; S219-R313 PolarHBondContact O-NE 3.28Å; S219-R313 VanDerWaalsContact O-NE 3.17Å; S219-R313 PolarHBondContact O-NH2 3.32Å; C307-R313 WeakPolarHBondContact SG-CD 3.22Å; C307-R313 VanDerWaalsContact SG-CG 3.54Å; N310-R313 HydrophobicContact CB-CB 4.01Å; N310-R313 PolarHBondContact O-N 2.02Å; N310-R313 VanDerWaalsContact O-N 3.08Å; N310-R313 PolarHBondContact OD1-N 3.37Å; R311-R313 PolarHBondContact O-N 2.78Å; R313-Q316 PolarHBondContact O-N 2.79Å; R313-Y317 WeakPolarHBondContact O-CB 3.09Å; R313-Y317 PolarHBondContact O-N 3.46Å
314	L	84.2	Confident	81	Confident	5 Å²	5	77.3 Å²	77.3	3%	0.026	38%	0.378	C	S	.	.	H	α-helix	trans	-58.5	-52.4	173.7	168.2	67.6	0	0	0	111.6	A250 W253 F305 C307 N310 R311 Q316 Y317 L318	A250-L314 HydrophobicContact CB-CD1 4.26Å; W253-L314 HydrophobicContact CB-CD1 4.16Å; W253-L314 HydrophobicContact CB-CD2 3.64Å; F305-L314 HydrophobicContact CZ-CD1 3.78Å; C307-L314 HydrophobicContact CB-CB 4.28Å; N310-L314 PolarHBondContact O-N 2.81Å; R311-L314 PolarHBondContact O-N 3.12Å; L314-Q316 VanDerWaalsContact C-N 3.32Å; L314-Q316 PolarHBondContact O-N 3.09Å; L314-Y317 PolarHBondContact O-N 2.68Å; L314-L318 HydrophobicContact CD1-CD1 3.94Å; L314-L318 HydrophobicContact CD1-CG 4.13Å; L314-L318 HydrophobicContact CG-CD1 4.11Å; L314-L318 WeakPolarHBondContact O-CG 3.19Å; L314-L318 PolarHBondContact O-N 3.08Å
315	F	78.6	Confident	78.4	Confident	97 Å²	97	82.8 Å²	82.8	43%	0.425	41%	0.408	S	S	.	.	H	α-helix	trans	-62.5	-40.3	179.8	-77.6	-63	0	0	0	112	R311 R312 L318 L319	R311-F315 HydrophobicContact CB-CD2 4.3Å; R311-F315 HydrophobicContact CB-CE2 4.21Å; R311-F315 WeakPolarHBondContact O-CD2 3.22Å; R311-F315 PolarHBondContact O-N 3.23Å; R312-F315 PolarHBondContact O-N 3.01Å; F315-L318 PolarHBondContact O-N 3.45Å; F315-L319 WeakPolarHBondContact O-CB 3.34Å; F315-L319 WeakPolarHBondContact O-CD1 3.47Å; F315-L319 VanDerWaalsContact O-CG 3.29Å; F315-L319 WeakPolarHBondContact O-CG 3.49Å; F315-L319 PolarHBondContact O-N 2.77Å
316	Q	81.8	Confident	75.7	Confident	84 Å²	84	85.9 Å²	85.9	39%	0.393	43%	0.428	S	S	.	.	H	α-helix	trans	-63.2	-42.5	175.7	-172.2	174.4	3.2	0	0	111.8	P218 R312 R313 L314 L319 D320	P218-Q316 HydrophobicContact CG-CB 4.11Å; P218-Q316 HydrophobicContact CG-CG 3.72Å; R312-Q316 WeakPolarHBondContact O-CB 3.32Å; R312-Q316 PolarHBondContact O-N 3.27Å; R313-Q316 PolarHBondContact O-N 2.79Å; L314-Q316 VanDerWaalsContact C-N 3.32Å; L314-Q316 PolarHBondContact O-N 3.09Å; Q316-L319 PolarHBondContact O-N 3.12Å; Q316-D320 WeakPolarHBondContact CG-OD2 3.16Å; Q316-D320 PolarHBondContact NE2-OD2 3.2Å; Q316-D320 VanDerWaalsContact O-CB 3.26Å; Q316-D320 WeakPolarHBondContact O-CB 3.5Å; Q316-D320 VanDerWaalsContact O-CG 3.27Å; Q316-D320 PolarHBondContact O-N 3.03Å
317	Y	84.9	Confident	72.9	Confident	6 Å²	6	88.5 Å²	88.5	2%	0.024	44%	0.44	C	S	.	.	H	α-helix	trans	-61.7	-45.6	174.4	179.7	-94.5	0	0	0	112.4	P218 C220 Y221 Q246 A250 R313 L314 L319 V321 C322	P218-Y317 WeakPolarHBondContact O-CD2 3.4Å; C220-Y317 HydrophobicContact CB-CD1 4.2Å; C220-Y317 HydrophobicContact CB-CD2 3.85Å; C220-Y317 HydrophobicContact CB-CE1 4.43Å; C220-Y317 HydrophobicContact CB-CE2 4.07Å; C220-Y317 HydrophobicContact CB-CG 3.92Å; C220-Y317 WeakPolarHBondContact SG-CB 3.2Å; Y221-Y317 HydrophobicContact CE2-CE1 4.07Å; Y221-Y317 AromaticContact CE2-CZ 3.81Å; Y221-Y317 WeakPolarHBondContact CE2-OH 3.21Å; Q246-Y317 WeakPolarHBondContact CB-OH 3.48Å; A250-Y317 HydrophobicContact CB-CD1 3.91Å; A250-Y317 HydrophobicContact CB-CE1 3.85Å; R313-Y317 WeakPolarHBondContact O-CB 3.09Å; R313-Y317 PolarHBondContact O-N 3.46Å; L314-Y317 PolarHBondContact O-N 2.68Å; Y317-L319 VanDerWaalsContact C-N 3.26Å; Y317-L319 PolarHBondContact O-N 2.85Å; Y317-V321 HydrophobicContact CD2-CB 4.03Å; Y317-V321 HydrophobicContact CD2-CG2 3.71Å; Y317-V321 HydrophobicContact CE2-CB 3.87Å; Y317-V321 HydrophobicContact CE2-CG1 3.87Å; Y317-V321 HydrophobicContact CE2-CG2 3.79Å; Y317-V321 HydrophobicContact CG-CB 4.46Å; Y317-V321 HydrophobicContact CG-CG2 4.43Å; Y317-V321 WeakPolarHBondContact O-CA 3.23Å; Y317-V321 VanDerWaalsContact O-CB 3.3Å; Y317-V321 WeakPolarHBondContact O-CB 3.49Å; Y317-V321 PolarHBondContact O-N 2.98Å; Y317-C322 WeakPolarHBondContact CE1-SG 2.86Å; Y317-C322 PolarHBondContact O-N 2.81Å
318	L	81.1	Confident	70.3	Confident	30 Å²	30	91.4 Å²	91.4	16%	0.157	46%	0.459	C	S	.	.	H	α-helix	trans	-61.2	-35.2	177.3	-71.8	173.6	0	0	0	112.1	A250 Q251 L314 F315 C322	A250-L318 HydrophobicContact CB-CD2 3.84Å; Q251-L318 HydrophobicContact CG-CD2 3.82Å; L314-L318 HydrophobicContact CD1-CD1 3.94Å; L314-L318 HydrophobicContact CD1-CG 4.13Å; L314-L318 HydrophobicContact CG-CD1 4.11Å; L314-L318 WeakPolarHBondContact O-CG 3.19Å; L314-L318 PolarHBondContact O-N 3.08Å; F315-L318 PolarHBondContact O-N 3.45Å; L318-C322 HydrophobicContact CD2-CB 4.22Å; L318-C322 CarbonylContact O-C 3.59Å; L318-C322 WeakPolarHBondContact O-CA 3.43Å; L318-C322 VanDerWaalsContact O-CB 3.28Å; L318-C322 WeakPolarHBondContact O-CB 3.08Å; L318-C322 PolarHBondContact O-N 3.22Å
319	L	76.6	Confident	67.9	Low	138 Å²	138	98.5 Å²	98.5	72%	0.723	49%	0.485	S	S	*	.	H	α-helix	trans	-79.2	-46	178.7	-71.8	165.4	0	0	0	112.9	F315 Q316 Y317	F315-L319 WeakPolarHBondContact O-CB 3.34Å; F315-L319 WeakPolarHBondContact O-CD1 3.47Å; F315-L319 VanDerWaalsContact O-CG 3.29Å; F315-L319 WeakPolarHBondContact O-CG 3.49Å; F315-L319 PolarHBondContact O-N 2.77Å; Q316-L319 PolarHBondContact O-N 3.12Å; Y317-L319 VanDerWaalsContact C-N 3.26Å; Y317-L319 PolarHBondContact O-N 2.85Å
320	D	81.6	Confident	65.6	Low	96 Å²	96	99.2 Å²	99.2	51%	0.513	48%	0.484	S	S	.	.	H	α-helix	trans	-83.6	-31.5	-170.4	-66.1	-12.2	0	0	0	112.5	Q316	Q316-D320 WeakPolarHBondContact CG-OD2 3.16Å; Q316-D320 PolarHBondContact NE2-OD2 3.2Å; Q316-D320 VanDerWaalsContact O-CB 3.26Å; Q316-D320 WeakPolarHBondContact O-CB 3.5Å; Q316-D320 VanDerWaalsContact O-CG 3.27Å; Q316-D320 PolarHBondContact O-N 3.03Å
321	V	83.3	Confident	63.3	Low	46 Å²	46	98.9 Å²	98.9	28%	0.279	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-41.9	-174.5	-174.7	0	0	0	0	111.5	V243 Y317 S323	V243-V321 HydrophobicContact CG1-CG1 4.39Å; Y317-V321 HydrophobicContact CD2-CB 4.03Å; Y317-V321 HydrophobicContact CD2-CG2 3.71Å; Y317-V321 HydrophobicContact CE2-CB 3.87Å; Y317-V321 HydrophobicContact CE2-CG1 3.87Å; Y317-V321 HydrophobicContact CE2-CG2 3.79Å; Y317-V321 HydrophobicContact CG-CB 4.46Å; Y317-V321 HydrophobicContact CG-CG2 4.43Å; Y317-V321 WeakPolarHBondContact O-CA 3.23Å; Y317-V321 VanDerWaalsContact O-CB 3.3Å; Y317-V321 WeakPolarHBondContact O-CB 3.49Å; Y317-V321 PolarHBondContact O-N 2.98Å; V321-S323 PolarHBondContact O-N 3.3Å
322	C	79.7	Confident	61	Low	8 Å²	8	95.7 Å²	95.7	5%	0.054	49%	0.492	C	S	.	.			trans	-93	67.2	-176.5	-52.5	0	0	0	0	111.7	C247 Y317 L318	C247-C322 WeakPolarHBondContact CA-SG 3.08Å; C247-C322 HydrophobicContact CB-CB 3.66Å; C247-C322 WeakPolarHBondContact CB-SG 3.24Å; C247-C322 WeakPolarHBondContact SG-CA 3.35Å; C247-C322 WeakPolarHBondContact SG-CB 3.42Å; C247-C322 CovalentContact SG-SG 2.04Å; C247-C322 PolarHBondContact SG-SG 3.11Å; Y317-C322 WeakPolarHBondContact CE1-SG 2.86Å; Y317-C322 PolarHBondContact O-N 2.81Å; L318-C322 HydrophobicContact CD2-CB 4.22Å; L318-C322 CarbonylContact O-C 3.59Å; L318-C322 WeakPolarHBondContact O-CA 3.43Å; L318-C322 VanDerWaalsContact O-CB 3.28Å; L318-C322 WeakPolarHBondContact O-CB 3.08Å; L318-C322 PolarHBondContact O-N 3.22Å
323	S	57.1	Low	58.5	Low	93 Å²	93	94.3 Å²	94.3	65%	0.65	50%	0.495	S	S	*	.			trans	-65	139.6	170.1	-162.7	0	0	0	0	110.3	V321 D325	V321-S323 PolarHBondContact O-N 3.3Å; S323-D325 PolarHBondContact O-N 2.8Å; S323-D325 VanDerWaalsContact O-N 3.12Å
324	Y	46.4	Very low	56.1	Low	211 Å²	211	95.5 Å²	95.5	83%	0.827	50%	0.504	S	S	*	.	S	Bend	trans	-70.1	-4.2	-168.6	-102.8	-95.2	0	0	0	115.2	V326	Y324-V326 PolarHBondContact O-N 2.79Å
325	D	38	Very low	53.9	Low	146 Å²	146	100.7 Å²	100.7	78%	0.781	54%	0.536	S	S	*	.			trans	-96.8	58.7	-171.1	-64.3	-31.3	0	0	0	113.1	S323	S323-D325 PolarHBondContact O-N 2.8Å; S323-D325 VanDerWaalsContact O-N 3.12Å
326	V	34.7	Very low	52.3	Low	82 Å²	82	99 Å²	99	50%	0.497	53%	0.533	S	S	.	.			trans	-143	90	165.2	-165.3	0	0	0	0	110.9	D244 Y324	D244-V326 WeakPolarHBondContact OD1-CG1 3.32Å; Y324-V326 PolarHBondContact O-N 2.79Å
327	L	32	Very low	50.9	Low	112 Å²	112	95.7 Å²	95.7	59%	0.586	52%	0.518	S	S	*	.			trans	-65.9	139.8	155.9	-71.3	167.9	0	0	0	108.4	K329	L327-K329 PolarHBondContact O-N 2.9Å; L327-K329 VanDerWaalsContact O-N 3.14Å
328	P	35.7	Very low	49.9	Very low	61 Å²	61	95.7 Å²	95.7	40%	0.396	52%	0.519	S	S	.	.			trans	-58.8	123	174.2	22.1	-29.6	0	0	0	109	Y240 T330	Y240-P328 HydrophobicContact CD2-CB 4.41Å; Y240-P328 HydrophobicContact CE2-CB 4.05Å; Y240-P328 HydrophobicContact CE2-CG 4.36Å; P328-T330 PolarHBondContact O-N 2.71Å
329	K	32.2	Very low	49	Very low	164 Å²	164	94.5 Å²	94.5	71%	0.713	51%	0.513	S	S	*	.			trans	-59.9	107.1	175.8	-70.7	-179.1	-179.9	178	0	108.5	L327 G331	L327-K329 PolarHBondContact O-N 2.9Å; L327-K329 VanDerWaalsContact O-N 3.14Å; K329-G331 PolarHBondContact O-N 3.46Å
330	T	33.9	Very low	48.5	Very low	143 Å²	143	88.8 Å²	88.8	88%	0.877	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	131.6	170.5	47.6	0	0	0	0	108.9	P328	P328-T330 PolarHBondContact O-N 2.71Å
331	G	34.7	Very low	47.9	Very low	74 Å²	74	85.8 Å²	85.8	76%	0.763	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	117.5	8	165.9	0	0	0	0	0	117.8	K329 Q333	K329-G331 PolarHBondContact O-N 3.46Å; G331-Q333 PolarHBondContact O-N 2.75Å
332	H	33.9	Very low	47.1	Very low	108 Å²	108	85 Å²	85	50%	0.5	46%	0.462	S	S	.	.			trans	-73.5	103.8	167.7	-71	-51.4	0	0	0	110.1	Q270 H334	Q270-H332 PolarHBondContact OE1-CD2 2.73Å; H332-H334 PolarHBondContact O-N 3.5Å; H332-H334 VanDerWaalsContact O-N 3.08Å
333	Q	29.7	Very low	46.4	Very low	183 Å²	183	85.6 Å²	85.6	86%	0.855	47%	0.465	S	S	*	.			trans	-44.5	114.5	165.9	-172.6	166.1	-2.6	0	0	108.4	G331 V335	G331-Q333 PolarHBondContact O-N 2.75Å; Q333-V335 PolarHBondContact O-N 2.82Å
334	H	37.3	Very low	46.8	Very low	119 Å²	119	81.2 Å²	81.2	55%	0.551	43%	0.434	S	S	*	.			trans	-54.7	104.1	179.9	-86.8	-70.7	0	0	0	109.6	H332 V336	H332-H334 PolarHBondContact O-N 3.5Å; H332-H334 VanDerWaalsContact O-N 3.08Å; H334-V336 PolarHBondContact O-N 3.37Å; H334-V336 VanDerWaalsContact O-N 3.16Å
335	V	37.9	Very low	48.3	Very low	114 Å²	114	73.1 Å²	73.1	69%	0.691	40%	0.404	S	S	*	.			trans	-77.5	97.8	161.2	-175.4	0	0	0	0	104.9	Q333 D337	Q333-V335 PolarHBondContact O-N 2.82Å; V335-D337 PolarHBondContact O-N 3.27Å
336	V	45.2	Very low	50.2	Low	60 Å²	60	66.1 Å²	66.1	36%	0.364	37%	0.367	S	S	.	.			trans	-60.9	106.4	166.7	179.7	0	0	0	0	105.5	H334 W400	H334-V336 PolarHBondContact O-N 3.37Å; H334-V336 VanDerWaalsContact O-N 3.16Å; V336-W400 HydrophobicContact CB-CZ2 4.43Å; V336-W400 HydrophobicContact CG1-CZ2 4.03Å; V336-W400 HydrophobicContact CG2-CH2 4.27Å; V336-W400 HydrophobicContact CG2-CZ2 3.66Å
337	D	53	Low	52	Low	15 Å²	15	62.3 Å²	62.3	8%	0.08	34%	0.344	C	S	.	.			trans	-67.5	137.9	174.1	-157.2	-13.4	0	0	0	106.8	N268 R269 V335 H339 D340	N268-D337 WeakPolarHBondContact CB-OD2 3.42Å; N268-D337 PolarHBondContact ND2-OD2 2.77Å; N268-D337 VanDerWaalsContact ND2-OD2 3.09Å; R269-D337 HydrophobicContact CG-CB 4.02Å; V335-D337 PolarHBondContact O-N 3.27Å; D337-H339 PolarHBondContact O-N 2.89Å; D337-H339 IonicContact OD1-CD2 3.52Å; D337-D340 PolarHBondContact O-N 2.77Å
338	C	62.7	Low	54.1	Low	7 Å²	7	58.4 Å²	58.4	5%	0.047	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-18.4	-173.2	154.9	0	0	0	0	114.8	D419 A420 S421 C422 M426	C338-D419 CarbonylContact O-C 3.49Å; C338-A420 VanDerWaalsContact O-CA 3.32Å; C338-A420 WeakPolarHBondContact O-CA 3.26Å; C338-A420 PolarHBondContact O-N 3.29Å; C338-S421 PolarHBondContact O-N 2.8Å; C338-C422 HydrophobicContact CB-CB 3.78Å; C338-C422 WeakPolarHBondContact CB-SG 3.4Å; C338-C422 WeakPolarHBondContact SG-CA 3.09Å; C338-C422 WeakPolarHBondContact SG-CB 3.14Å; C338-C422 PolarHBondContact SG-N 3.5Å; C338-C422 CovalentContact SG-SG 1.95Å; C338-C422 PolarHBondContact SG-SG 3.41Å; C338-M426 HydrophobicContact CB-SD 3.77Å
339	H	63.3	Low	55.7	Low	5 Å²	5	56 Å²	56	2%	0.023	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	31.2	-167	-60.6	-51.9	0	0	0	113.9	R269 L298 D337 R364 F368 D419 C422 L430	R269-H339 PolarHBondContact NH2-O 3.27Å; L298-H339 HydrophobicContact CD2-CB 3.3Å; L298-H339 HydrophobicContact CG-CB 4.2Å; D337-H339 PolarHBondContact O-N 2.89Å; D337-H339 IonicContact OD1-CD2 3.52Å; H339-R364 PolarHBondContact O-NH2 3.17Å; H339-F368 AromaticContact CE1-CD1 3.96Å; H339-F368 AromaticContact CE1-CE1 3.18Å; H339-F368 WeakPolarHBondContact CE1-CE1 3.17Å; H339-F368 AromaticContact CE1-CZ 3.33Å; H339-F368 WeakPolarHBondContact CE1-CZ 3.01Å; H339-F368 AromaticContact ND1-CE1 3.15Å; H339-F368 WeakPolarHBondContact ND1-CE1 3.49Å; H339-F368 AromaticContact ND1-CE2 3.79Å; H339-F368 AromaticContact ND1-CZ 2.87Å; H339-F368 WeakPolarHBondContact ND1-CZ 3.33Å; H339-D419 WeakPolarHBondContact CA-O 2.81Å; H339-C422 PolarHBondContact CE1-SG 2.75Å; H339-C422 PolarHBondContact NE2-SG 2.74Å; H339-L430 VanDerWaalsContact CD2-CD2 3.46Å; H339-L430 WeakPolarHBondContact CD2-CD2 3.26Å; H339-L430 WeakPolarHBondContact CE1-CD1 3.37Å; H339-L430 WeakPolarHBondContact CE1-CD2 3.25Å; H339-L430 WeakPolarHBondContact NE2-CD1 3Å; H339-L430 WeakPolarHBondContact NE2-CD2 3.16Å; H339-L430 WeakPolarHBondContact NE2-CG 2.97Å
340	D	66	Low	57.7	Low	17 Å²	17	48.4 Å²	48.4	9%	0.091	28%	0.276	C	S	.	.			trans	-59.2	140.4	-175.5	-153.7	7.6	0	0	0	113.5	R269 D337 R399 L418 D419	R269-D340 IonicContact CZ-OD1 2.72Å; R269-D340 IonicContact NH1-OD1 2.94Å; R269-D340 PolarHBondContact NH1-OD1 3.48Å; R269-D340 VanDerWaalsContact NH2-N 3.15Å; R269-D340 IonicContact NH2-OD1 2.69Å; D337-D340 PolarHBondContact O-N 2.77Å; D340-R399 IonicContact OD2-CZ 3.46Å; D340-R399 IonicContact OD2-NH1 3.72Å; D340-R399 PolarHBondContact OD2-NH1 3.15Å; D340-R399 IonicContact OD2-NH2 2.92Å; D340-R399 PolarHBondContact OD2-NH2 3.13Å; D340-L418 CarbonylContact O-C 3.52Å; D340-D419 HydrophobicContact CB-CB 3.72Å; D340-D419 WeakPolarHBondContact O-CB 3.13Å; D340-D419 PolarHBondContact O-N 3.31Å
341	I	68.4	Low	59.9	Low	34 Å²	34	42.2 Å²	42.2	17%	0.174	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	117.1	176.7	-58.8	-178	0	0	0	106	L298 V343 I416 Y417 L418	L298-I341 HydrophobicContact CD1-CD1 3.9Å; L298-I341 HydrophobicContact CD1-CG1 4.28Å; I341-V343 HydrophobicContact CG2-CG2 4.47Å; I341-I416 HydrophobicContact CG2-CG2 3.41Å; I341-I416 VanDerWaalsContact CG2-CG2 3.41Å; I341-Y417 CarbonylContact C-O 3.46Å; I341-Y417 WeakPolarHBondContact CA-O 3.43Å; I341-L418 HydrophobicContact CD1-CD2 4.47Å; I341-L418 HydrophobicContact CG1-CD2 4.06Å; I341-L418 HydrophobicContact CG2-CD2 4.36Å
342	V	66.9	Low	61.9	Low	28 Å²	28	38.7 Å²	38.7	17%	0.17	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	108	176.8	-170.1	0	0	0	0	108.1	H345 R399 F406 Y417	V342-H345 HydrophobicContact CB-CB 4.44Å; V342-H345 HydrophobicContact CG1-CB 3.85Å; V342-H345 WeakPolarHBondContact CG1-ND1 3.11Å; V342-R399 VanDerWaalsContact CG2-NH1 3.34Å; V342-F406 HydrophobicContact CB-CZ 4.16Å; V342-F406 HydrophobicContact CG1-CZ 4.01Å; V342-F406 HydrophobicContact CG2-CZ 4.37Å; V342-Y417 HydrophobicContact CB-CD1 4.22Å; V342-Y417 HydrophobicContact CG2-CD1 4.14Å; V342-Y417 PolarHBondContact N-O 3.5Å; V342-Y417 WeakPolarHBondContact O-CB 3.46Å; V342-Y417 PolarHBondContact O-N 3.3Å
343	V	65.9	Low	64	Low	22 Å²	22	33.6 Å²	33.6	13%	0.133	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	143.5	178.9	-175.1	0	0	0	0	109.5	I230 I341 H345 Y412 I416	I230-V343 HydrophobicContact CG2-CG2 3.75Å; I341-V343 HydrophobicContact CG2-CG2 4.47Å; V343-H345 PolarHBondContact O-N 2.97Å; V343-H345 PolarHBondContact O-ND1 3.05Å; V343-Y412 HydrophobicContact CB-CE1 3.97Å; V343-Y412 HydrophobicContact CG1-CD1 4.05Å; V343-Y412 HydrophobicContact CG1-CE1 3.75Å; V343-Y412 WeakPolarHBondContact CG1-O 3.49Å; V343-Y412 WeakPolarHBondContact O-CE2 3.41Å; V343-Y412 VanDerWaalsContact O-CZ 3.31Å; V343-Y412 PolarHBondContact O-OH 3.27Å; V343-I416 HydrophobicContact CG1-CG1 4.48Å; V343-I416 HydrophobicContact CG2-CG1 4.48Å
344	G	64.5	Low	66.4	Low	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	12	174	0	0	0	0	0	115	E408 E409 Y412 V415	G344-E408 CarbonylContact O-C 3.59Å; G344-E408 WeakPolarHBondContact O-CA 3.48Å; G344-E409 PolarHBondContact O-N 3.12Å; G344-Y412 WeakPolarHBondContact CA-O 3.11Å; G344-Y412 PolarHBondContact N-O 2.65Å; G344-V415 PolarHBondContact N-O 2.04Å
345	H	78.1	Confident	68.5	Low	41 Å²	41	23.9 Å²	23.9	19%	0.19	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	146.5	175.2	-66.7	62.8	0	0	0	109.6	V342 V343 F406 Q407 V415 Y417	V342-H345 HydrophobicContact CB-CB 4.44Å; V342-H345 HydrophobicContact CG1-CB 3.85Å; V342-H345 WeakPolarHBondContact CG1-ND1 3.11Å; V343-H345 PolarHBondContact O-N 2.97Å; V343-H345 PolarHBondContact O-ND1 3.05Å; H345-F406 HydrophobicContact CB-CD2 4.49Å; H345-F406 HydrophobicContact CB-CE1 4.09Å; H345-F406 HydrophobicContact CB-CE2 3.6Å; H345-F406 HydrophobicContact CB-CZ 3.36Å; H345-F406 AromaticContact CD2-CE1 3.66Å; H345-F406 AromaticContact CD2-CZ 3.85Å; H345-F406 AromaticContact CG-CZ 3.83Å; H345-Q407 CarbonylContact C-O 3.55Å; H345-Q407 VanDerWaalsContact CA-O 3.31Å; H345-Q407 WeakPolarHBondContact CA-O 3.41Å; H345-V415 VanDerWaalsContact O-CG1 3.24Å; H345-V415 WeakPolarHBondContact O-CG1 3.27Å; H345-Y417 WeakPolarHBondContact O-CB 3.5Å
346	S	77.8	Confident	70.6	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	158.6	173.9	67	0	0	0	0	110.3	K348 F406 Q407 E409	S346-K348 WeakPolarHBondContact OG-CD 3.37Å; S346-K348 WeakPolarHBondContact OG-CE 3.46Å; S346-K348 PolarHBondContact OG-NZ 3.09Å; S346-F406 CarbonylContact O-C 3.58Å; S346-F406 WeakPolarHBondContact O-CA 3.31Å; S346-F406 WeakPolarHBondContact O-CD2 3.38Å; S346-Q407 PolarHBondContact N-O 3.31Å; S346-Q407 PolarHBondContact O-N 3.32Å; S346-E409 WeakPolarHBondContact CB-OE1 3.35Å; S346-E409 PolarHBondContact OG-OE1 3.34Å
347	L	72.1	Confident	72.4	Confident	2 Å²	2	25.8 Å²	25.8	1%	0.01	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	102.7	169.7	-167.6	64	0	0	0	105.7	V350 Y397 R399 R402 L405 F406 Y417	L347-V350 HydrophobicContact CB-CG2 3.82Å; L347-V350 HydrophobicContact CD2-CB 4.49Å; L347-V350 HydrophobicContact CD2-CG1 4.49Å; L347-V350 HydrophobicContact CD2-CG2 3.62Å; L347-V350 HydrophobicContact CG-CB 4.43Å; L347-V350 HydrophobicContact CG-CG1 4.24Å; L347-V350 HydrophobicContact CG-CG2 3.43Å; L347-V350 VanDerWaalsContact CG-CG2 3.43Å; L347-V350 WeakPolarHBondContact O-CG2 3.2Å; L347-Y397 WeakPolarHBondContact CD2-O 2.99Å; L347-R399 HydrophobicContact CD1-CB 4.47Å; L347-R402 HydrophobicContact CD1-CB 4.39Å; L347-R402 VanDerWaalsContact CD1-O 3.31Å; L347-R402 WeakPolarHBondContact CD1-O 3.5Å; L347-L405 WeakPolarHBondContact CA-O 3.38Å; L347-L405 HydrophobicContact CD1-CB 4Å; L347-F406 HydrophobicContact CB-CD2 4.33Å; L347-F406 HydrophobicContact CD1-CB 3.73Å; L347-F406 HydrophobicContact CD1-CD2 4.09Å; L347-F406 HydrophobicContact CD1-CG 4.39Å; L347-Y417 HydrophobicContact CB-CD2 4.12Å; L347-Y417 HydrophobicContact CB-CE2 3.79Å; L347-Y417 HydrophobicContact CD2-CE2 3.94Å; L347-Y417 HydrophobicContact CG-CE2 4.45Å
348	K	77	Confident	73.7	Confident	29 Å²	29	25.7 Å²	25.7	13%	0.126	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	149	-173.4	-61.1	-60	-170.5	-173.7	0	110	S346 V350 L405 E409 I483	S346-K348 WeakPolarHBondContact OG-CD 3.37Å; S346-K348 WeakPolarHBondContact OG-CE 3.46Å; S346-K348 PolarHBondContact OG-NZ 3.09Å; K348-V350 WeakPolarHBondContact O-CG1 3.42Å; K348-V350 PolarHBondContact O-N 3.25Å; K348-L405 PolarHBondContact N-O 2.93Å; K348-L405 WeakPolarHBondContact O-CB 3.4Å; K348-L405 VanDerWaalsContact O-CD1 3.27Å; K348-L405 WeakPolarHBondContact O-CD1 3.2Å; K348-E409 IonicContact NZ-OE1 2.97Å; K348-E409 PolarHBondContact NZ-OE1 3.16Å; K348-E409 IonicContact NZ-OE2 3.71Å; K348-E409 PolarHBondContact NZ-OE2 3.31Å; K348-I483 HydrophobicContact CD-CG1 4.32Å
349	G	68.4	Low	74.7	Confident	12 Å²	12	27.7 Å²	27.7	12%	0.124	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	9	163.5	0	0	0	0	0	117.8	N484 P495	G349-N484 VanDerWaalsContact C-ND2 3.28Å; G349-N484 WeakPolarHBondContact CA-ND2 3.26Å; G349-N484 WeakPolarHBondContact CA-OD1 3.45Å; G349-N484 PolarHBondContact O-ND2 3.49Å; G349-N484 PolarHBondContact O-OD1 2.77Å; G349-P495 WeakPolarHBondContact O-CD 2.96Å
350	V	75.5	Confident	75.5	Confident	3 Å²	3	27.7 Å²	27.7	2%	0.018	15%	0.151	C	C	.	.			trans	-113.7	11	-176.1	-64.1	0	0	0	0	112.9	L347 K348 G352 N395 L396 Y397 R402 L405	L347-V350 HydrophobicContact CB-CG2 3.82Å; L347-V350 HydrophobicContact CD2-CB 4.49Å; L347-V350 HydrophobicContact CD2-CG1 4.49Å; L347-V350 HydrophobicContact CD2-CG2 3.62Å; L347-V350 HydrophobicContact CG-CB 4.43Å; L347-V350 HydrophobicContact CG-CG1 4.24Å; L347-V350 HydrophobicContact CG-CG2 3.43Å; L347-V350 VanDerWaalsContact CG-CG2 3.43Å; L347-V350 WeakPolarHBondContact O-CG2 3.2Å; K348-V350 WeakPolarHBondContact O-CG1 3.42Å; K348-V350 PolarHBondContact O-N 3.25Å; V350-G352 PolarHBondContact O-N 3.46Å; V350-N395 HydrophobicContact CB-CB 4.33Å; V350-N395 HydrophobicContact CG2-CB 3.67Å; V350-N395 CarbonylContact O-C 3.28Å; V350-N395 VanDerWaalsContact O-CA 3.23Å; V350-N395 WeakPolarHBondContact O-CA 3.26Å; V350-N395 WeakPolarHBondContact O-CB 3.2Å; V350-L396 PolarHBondContact O-N 3.03Å; V350-Y397 HydrophobicContact CB-CD2 3.89Å; V350-Y397 HydrophobicContact CG1-CD2 3.61Å; V350-Y397 HydrophobicContact CG1-CG 4.15Å; V350-R402 HydrophobicContact CG1-CB 4.45Å; V350-R402 HydrophobicContact CG1-CG 4.3Å; V350-L405 HydrophobicContact CG1-CD1 3.68Å
351	A	79.8	Confident	76.2	Confident	13 Å²	13	27.5 Å²	27.5	11%	0.107	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	124.8	-178.3	0	0	0	0	0	110.9	V393 N395 L492 V494	A351-V393 HydrophobicContact CB-CG1 3.39Å; A351-N395 WeakPolarHBondContact CA-OD1 2.99Å; A351-L492 HydrophobicContact CB-CD1 4.07Å; A351-L492 HydrophobicContact CB-CD2 4.41Å; A351-V494 WeakPolarHBondContact O-CG2 3.3Å
352	G	75.8	Confident	77	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	-29	171.9	0	0	0	0	0	113.1	V350 L394 R549	V350-G352 PolarHBondContact O-N 3.46Å; G352-L394 CarbonylContact C-O 3.6Å; G352-L394 WeakPolarHBondContact CA-O 3.48Å; G352-L394 PolarHBondContact N-O 2.86Å; G352-R549 PolarHBondContact O-NE 3.18Å
353	A	78.7	Confident	77.9	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.008	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	160.3	170.5	0	0	0	0	0	112.9	Y376 F378 V393 L394	A353-Y376 HydrophobicContact CB-CD1 3.52Å; A353-Y376 HydrophobicContact CB-CE1 3.61Å; A353-Y376 HydrophobicContact CB-CG 4.45Å; A353-F378 HydrophobicContact CB-CE1 3.88Å; A353-F378 HydrophobicContact CB-CZ 3.9Å; A353-V393 CarbonylContact O-C 3.49Å; A353-V393 VanDerWaalsContact O-CA 3.32Å; A353-V393 WeakPolarHBondContact O-CA 3Å; A353-L394 HydrophobicContact CB-CB 4.15Å; A353-L394 HydrophobicContact CB-CD1 4.23Å; A353-L394 HydrophobicContact CB-CG 4.42Å; A353-L394 PolarHBondContact N-O 2.91Å; A353-L394 PolarHBondContact O-N 3.48Å
354	L	79.8	Confident	78.9	Confident	52 Å²	52	26.7 Å²	26.7	27%	0.272	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	135.5	172.3	177.2	64.2	0	0	0	107.8	H356 D391 C392 V393	L354-H356 VanDerWaalsContact CD2-CE1 3.42Å; L354-H356 WeakPolarHBondContact CD2-CE1 3.35Å; L354-H356 WeakPolarHBondContact CD2-NE2 3.5Å; L354-D391 HydrophobicContact CD1-CB 4.22Å; L354-C392 CarbonylContact C-O 3.6Å; L354-C392 WeakPolarHBondContact CA-O 3.45Å; L354-V393 HydrophobicContact CD1-CG2 3.83Å
355	Q	81.8	Confident	80.2	Confident	46 Å²	46	28 Å²	28	22%	0.215	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	121.7	175.9	-176.1	59.4	45.7	0	0	108.8	V358 L366 Y376 C392	Q355-V358 HydrophobicContact CG-CG1 3.63Å; Q355-V358 HydrophobicContact CG-CG2 4.44Å; Q355-L366 HydrophobicContact CB-CD1 4.27Å; Q355-L366 HydrophobicContact CG-CD1 3.78Å; Q355-Y376 PolarHBondContact OE1-OH 2.93Å; Q355-C392 HydrophobicContact CB-CB 4.31Å; Q355-C392 PolarHBondContact N-O 2.88Å; Q355-C392 WeakPolarHBondContact O-CB 3.1Å; Q355-C392 PolarHBondContact O-N 2.96Å
356	H	82.7	Confident	80.8	Confident	103 Å²	103	27.6 Å²	27.6	48%	0.477	15%	0.153	S	C	.	.			trans	-89.4	159.1	-179.4	-61.2	-70.6	0	0	0	111.9	L354 V358 D391	L354-H356 VanDerWaalsContact CD2-CE1 3.42Å; L354-H356 WeakPolarHBondContact CD2-CE1 3.35Å; L354-H356 WeakPolarHBondContact CD2-NE2 3.5Å; H356-V358 PolarHBondContact O-N 3.24Å; H356-D391 WeakPolarHBondContact CA-OD1 3.41Å; H356-D391 IonicContact CE1-OD1 3.58Å; H356-D391 IonicContact CE1-OD2 3.54Å; H356-D391 PolarHBondContact CE1-OD2 3.01Å; H356-D391 IonicContact CG-OD1 3.96Å; H356-D391 IonicContact ND1-OD1 3.99Å; H356-D391 PolarHBondContact ND1-OD1 3.23Å; H356-D391 IonicContact ND1-OD2 2.81Å; H356-D391 PolarHBondContact ND1-OD2 3.3Å; H356-D391 VanDerWaalsContact ND1-OD2 3.13Å
357	D	81.6	Confident	81.4	Confident	111 Å²	111	27.7 Å²	27.7	59%	0.594	15%	0.154	S	C	*	.	S	Bend	trans	49.1	52.8	174.3	-169.8	23.1	0	0	0	113.9	R390	D357-R390 PolarHBondContact N-O 2.97Å; D357-R390 IonicContact OD1-CZ 3.66Å; D357-R390 IonicContact OD1-NE 3.75Å; D357-R390 PolarHBondContact OD1-NE 3.16Å; D357-R390 IonicContact OD1-NH2 2.79Å; D357-R390 PolarHBondContact OD1-NH2 2.88Å
358	V	82.3	Confident	82.2	Confident	13 Å²	13	27.7 Å²	27.7	8%	0.079	15%	0.154	C	C	.	.			trans	-118.7	151.5	174.6	-68.9	0	0	0	0	110.3	Q355 H356 T362 C363 L366 Y385 R390 C392	Q355-V358 HydrophobicContact CG-CG1 3.63Å; Q355-V358 HydrophobicContact CG-CG2 4.44Å; H356-V358 PolarHBondContact O-N 3.24Å; V358-T362 HydrophobicContact CB-CG2 3.86Å; V358-T362 HydrophobicContact CG1-CG2 3.78Å; V358-C363 HydrophobicContact CG2-CB 4.16Å; V358-L366 HydrophobicContact CG1-CD1 4.19Å; V358-Y385 VanDerWaalsContact O-CE2 3.23Å; V358-Y385 WeakPolarHBondContact O-CE2 2.97Å; V358-Y385 PolarHBondContact O-OH 3.36Å; V358-R390 PolarHBondContact N-O 3.07Å; V358-C392 HydrophobicContact CG2-CB 3.37Å
359	S	81.8	Confident	82.8	Confident	49 Å²	49	27.6 Å²	27.6	34%	0.343	16%	0.155	S	C	.	.			trans	-70.6	160.8	167.1	76.2	0	0	0	0	110.1	E361 T362 C363	S359-E361 PolarHBondContact O-N 2.88Å; S359-E361 PolarHBondContact OG-N 3.38Å; S359-T362 PolarHBondContact O-N 3.47Å; S359-T362 WeakPolarHBondContact OG-CB 3.42Å; S359-T362 PolarHBondContact OG-N 2.73Å; S359-T362 PolarHBondContact OG-OG1 2.85Å; S359-C363 WeakPolarHBondContact O-CB 3.2Å; S359-C363 PolarHBondContact O-N 3.39Å
360	I	81	Confident	83.7	Confident	6 Å²	6	27 Å²	27	3%	0.031	15%	0.149	C	C	.	.	H	α-helix	trans	-55.8	-38.9	173.6	-168.2	172.7	0	0	0	112	I230 I293 C363 R364 Y385 I416 L418	I230-I360 HydrophobicContact CD1-CD1 3.74Å; I230-I360 HydrophobicContact CG1-CD1 4.49Å; I293-I360 HydrophobicContact CB-CG2 4.01Å; I293-I360 HydrophobicContact CD1-CD1 4.18Å; I293-I360 HydrophobicContact CD1-CG2 3.74Å; I293-I360 HydrophobicContact CG1-CG2 4.47Å; I293-I360 HydrophobicContact CG2-CG2 3.8Å; I360-C363 WeakPolarHBondContact O-CB 3.41Å; I360-C363 PolarHBondContact O-N 2.74Å; I360-R364 VanDerWaalsContact O-CG 3.26Å; I360-R364 WeakPolarHBondContact O-CG 3.32Å; I360-R364 PolarHBondContact O-N 3.32Å; I360-Y385 HydrophobicContact CB-CD1 3.64Å; I360-Y385 HydrophobicContact CB-CD2 4.41Å; I360-Y385 HydrophobicContact CB-CE1 3.63Å; I360-Y385 HydrophobicContact CB-CE2 4.4Å; I360-Y385 HydrophobicContact CB-CG 4.04Å; I360-Y385 HydrophobicContact CD1-CD1 3.92Å; I360-Y385 HydrophobicContact CG1-CD1 3.67Å; I360-Y385 HydrophobicContact CG1-CE1 4.2Å; I360-Y385 HydrophobicContact CG1-CG 3.9Å; I360-I416 HydrophobicContact CD1-CD1 3.89Å; I360-I416 HydrophobicContact CD1-CG2 4.12Å; I360-L418 HydrophobicContact CD1-CD2 4.15Å; I360-L418 HydrophobicContact CG1-CD1 4.22Å; I360-L418 HydrophobicContact CG1-CD2 4.21Å
361	E	81.6	Confident	84.1	Confident	13 Å²	13	28.9 Å²	28.9	6%	0.061	17%	0.165	C	C	.	.	H	α-helix	trans	-73.4	-37.6	-178.8	-165.4	62.5	-166.1	0	0	111	R296 T297 S359 C363 R364 C365	R296-E361 WeakPolarHBondContact CA-OE1 3.26Å; R296-E361 HydrophobicContact CB-CG 4.28Å; R296-E361 WeakPolarHBondContact CB-OE1 3.5Å; R296-E361 HydrophobicContact CG-CG 4.41Å; R296-E361 PolarHBondContact N-OE1 3.29Å; T297-E361 WeakPolarHBondContact CB-OE1 3.5Å; T297-E361 WeakPolarHBondContact CG2-OE1 2.97Å; T297-E361 PolarHBondContact N-OE1 3.34Å; T297-E361 PolarHBondContact OG1-OE1 2.81Å; T297-E361 PolarHBondContact OG1-OE2 2.81Å; S359-E361 PolarHBondContact O-N 2.88Å; S359-E361 PolarHBondContact OG-N 3.38Å; E361-C363 VanDerWaalsContact C-N 3.33Å; E361-C363 PolarHBondContact O-N 3.5Å; E361-R364 PolarHBondContact O-N 3.41Å; E361-R364 WeakPolarHBondContact OE2-CD 3.46Å; E361-R364 IonicContact OE2-CZ 3.11Å; E361-R364 IonicContact OE2-NE 3.79Å; E361-R364 IonicContact OE2-NH1 3.27Å; E361-R364 PolarHBondContact OE2-NH1 3.48Å; E361-C365 PolarHBondContact O-N 2.73Å; E361-C365 PolarHBondContact O-SG 3.07Å
362	T	84.7	Confident	84.3	Confident	64 Å²	64	33.5 Å²	33.5	39%	0.393	19%	0.188	S	C	.	.	H	α-helix	trans	-59.7	-45.1	169.8	-60.2	0	0	0	0	110.6	V358 S359 R364 C365 L366	V358-T362 HydrophobicContact CB-CG2 3.86Å; V358-T362 HydrophobicContact CG1-CG2 3.78Å; S359-T362 PolarHBondContact O-N 3.47Å; S359-T362 WeakPolarHBondContact OG-CB 3.42Å; S359-T362 PolarHBondContact OG-N 2.73Å; S359-T362 PolarHBondContact OG-OG1 2.85Å; T362-R364 VanDerWaalsContact C-N 3.32Å; T362-R364 PolarHBondContact O-N 3.04Å; T362-C365 PolarHBondContact O-N 3.23Å; T362-L366 HydrophobicContact CG2-CD1 4.06Å; T362-L366 HydrophobicContact CG2-CG 4.27Å; T362-L366 WeakPolarHBondContact O-CB 3.41Å; T362-L366 VanDerWaalsContact O-CG 3.26Å; T362-L366 WeakPolarHBondContact O-CG 3.46Å; T362-L366 PolarHBondContact O-N 2.81Å
363	C	85.7	Confident	84.5	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-55.9	-45.9	176.2	179.4	0	0	0	0	112.2	V358 S359 I360 E361 L366 C367 Y385 C392 L418	V358-C363 HydrophobicContact CG2-CB 4.16Å; S359-C363 WeakPolarHBondContact O-CB 3.2Å; S359-C363 PolarHBondContact O-N 3.39Å; I360-C363 WeakPolarHBondContact O-CB 3.41Å; I360-C363 PolarHBondContact O-N 2.74Å; E361-C363 VanDerWaalsContact C-N 3.33Å; E361-C363 PolarHBondContact O-N 3.5Å; C363-L366 PolarHBondContact O-N 2.88Å; C363-C367 PolarHBondContact O-N 2.82Å; C363-Y385 HydrophobicContact CB-CD2 4.04Å; C363-C392 WeakPolarHBondContact CA-SG 3.37Å; C363-C392 HydrophobicContact CB-CB 3.5Å; C363-C392 WeakPolarHBondContact CB-SG 3.38Å; C363-C392 WeakPolarHBondContact SG-CB 3.45Å; C363-C392 CovalentContact SG-SG 2.02Å; C363-C392 PolarHBondContact SG-SG 2.82Å; C363-L418 HydrophobicContact CB-CD1 4.43Å
364	R	87.3	Confident	84.3	Confident	3 Å²	3	42.2 Å²	42.2	1%	0.011	23%	0.229	C	C	.	.	H	α-helix	trans	-62	-47.3	176.7	-68.1	172.4	78.5	173.6	15.7	112.1	T297 L298 H339 I360 E361 T362 L366 C367 F368 L418	T297-R364 PolarHBondContact OG1-NE 2.84Å; T297-R364 VanDerWaalsContact OG1-NE 3.08Å; T297-R364 PolarHBondContact OG1-NH1 3.19Å; T297-R364 VanDerWaalsContact OG1-NH1 3.11Å; T297-R364 PolarHBondContact OG1-NH2 3.21Å; L298-R364 VanDerWaalsContact CG-NH2 3.32Å; H339-R364 PolarHBondContact O-NH2 3.17Å; I360-R364 VanDerWaalsContact O-CG 3.26Å; I360-R364 WeakPolarHBondContact O-CG 3.32Å; I360-R364 PolarHBondContact O-N 3.32Å; E361-R364 PolarHBondContact O-N 3.41Å; E361-R364 WeakPolarHBondContact OE2-CD 3.46Å; E361-R364 IonicContact OE2-CZ 3.11Å; E361-R364 IonicContact OE2-NE 3.79Å; E361-R364 IonicContact OE2-NH1 3.27Å; E361-R364 PolarHBondContact OE2-NH1 3.48Å; T362-R364 VanDerWaalsContact C-N 3.32Å; T362-R364 PolarHBondContact O-N 3.04Å; R364-L366 VanDerWaalsContact C-N 3.34Å; R364-L366 PolarHBondContact O-N 2.87Å; R364-C367 WeakPolarHBondContact O-CB 3.19Å; R364-C367 PolarHBondContact O-N 2.88Å; R364-C367 VanDerWaalsContact O-N 3.1Å; R364-F368 HydrophobicContact CB-CE2 4Å; R364-F368 WeakPolarHBondContact O-CD2 3.11Å; R364-F368 WeakPolarHBondContact O-CE2 3.12Å; R364-F368 PolarHBondContact O-N 2.8Å; R364-L418 HydrophobicContact CG-CB 4.44Å; R364-L418 HydrophobicContact CG-CD1 3.57Å; R364-L418 HydrophobicContact CG-CD2 3.96Å; R364-L418 HydrophobicContact CG-CG 4.19Å
365	C	89.9	Confident	84	Confident	27 Å²	27	43.7 Å²	43.7	18%	0.182	23%	0.234	C	C	.	.	H	α-helix	trans	-63.6	-40.1	179.1	-74	0	0	0	0	112.5	E361 T362 C367 F368 D369 C434	E361-C365 PolarHBondContact O-N 2.73Å; E361-C365 PolarHBondContact O-SG 3.07Å; T362-C365 PolarHBondContact O-N 3.23Å; C365-C367 VanDerWaalsContact C-N 3.27Å; C365-C367 PolarHBondContact O-N 2.85Å; C365-F368 PolarHBondContact O-N 3.22Å; C365-D369 PolarHBondContact O-N 3.26Å; C365-C434 WeakPolarHBondContact CA-SG 3.29Å; C365-C434 HydrophobicContact CB-CB 3.62Å; C365-C434 WeakPolarHBondContact CB-SG 3.05Å; C365-C434 WeakPolarHBondContact SG-CB 3.41Å; C365-C434 CovalentContact SG-SG 2.04Å; C365-C434 PolarHBondContact SG-SG 2.84Å
366	L	91.2	Very high	83.9	Confident	32 Å²	32	42.1 Å²	42.1	17%	0.168	23%	0.226	C	C	.	.	H	α-helix	trans	-59.6	-38.4	171.7	-69.9	172.9	0	0	0	111.7	Q355 V358 T362 C363 R364 S370 Y376 L394	Q355-L366 HydrophobicContact CB-CD1 4.27Å; Q355-L366 HydrophobicContact CG-CD1 3.78Å; V358-L366 HydrophobicContact CG1-CD1 4.19Å; T362-L366 HydrophobicContact CG2-CD1 4.06Å; T362-L366 HydrophobicContact CG2-CG 4.27Å; T362-L366 WeakPolarHBondContact O-CB 3.41Å; T362-L366 VanDerWaalsContact O-CG 3.26Å; T362-L366 WeakPolarHBondContact O-CG 3.46Å; T362-L366 PolarHBondContact O-N 2.81Å; C363-L366 PolarHBondContact O-N 2.88Å; R364-L366 VanDerWaalsContact C-N 3.34Å; R364-L366 PolarHBondContact O-N 2.87Å; L366-S370 VanDerWaalsContact O-CA 3.3Å; L366-S370 WeakPolarHBondContact O-CA 3.5Å; L366-S370 VanDerWaalsContact O-CB 3.27Å; L366-S370 WeakPolarHBondContact O-CB 3.33Å; L366-S370 PolarHBondContact O-N 3.24Å; L366-Y376 HydrophobicContact CD2-CE2 4.24Å; L366-L394 HydrophobicContact CB-CD1 4.3Å; L366-L394 HydrophobicContact CB-CD2 4.29Å
367	C	91.3	Very high	83.5	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.014	22%	0.22	C	C	.	.	H	α-helix	trans	-66.8	-47	174.5	-171.4	0	0	0	0	112.2	C363 R364 C365 D369 S370 C380 A383 L394 A420 R427	C363-C367 PolarHBondContact O-N 2.82Å; R364-C367 WeakPolarHBondContact O-CB 3.19Å; R364-C367 PolarHBondContact O-N 2.88Å; R364-C367 VanDerWaalsContact O-N 3.1Å; C365-C367 VanDerWaalsContact C-N 3.27Å; C365-C367 PolarHBondContact O-N 2.85Å; C367-D369 VanDerWaalsContact C-N 3.31Å; C367-D369 PolarHBondContact O-N 3.01Å; C367-S370 PolarHBondContact O-N 3.02Å; C367-S370 PolarHBondContact O-OG 2.7Å; C367-C380 WeakPolarHBondContact CA-SG 3.27Å; C367-C380 HydrophobicContact CB-CB 3.99Å; C367-C380 WeakPolarHBondContact CB-SG 3.43Å; C367-C380 VanDerWaalsContact O-CB 3.31Å; C367-C380 WeakPolarHBondContact O-CB 3.43Å; C367-C380 WeakPolarHBondContact SG-CB 3.24Å; C367-C380 CovalentContact SG-SG 2.04Å; C367-C380 PolarHBondContact SG-SG 2.02Å; C367-A383 HydrophobicContact CB-CB 4.2Å; C367-L394 HydrophobicContact CB-CD2 3.78Å; C367-A420 WeakPolarHBondContact SG-CB 3.31Å; C367-R427 PolarHBondContact O-NH2 3.3Å
368	F	88.8	Confident	83.4	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.009	20%	0.195	C	C	.	.	H	α-helix	trans	-60.8	-42	179.7	-63.3	-50.8	0	0	0	112.3	T297 H339 R364 C365 A420 R427 L430 I431	T297-F368 HydrophobicContact CG2-CD2 3.9Å; T297-F368 HydrophobicContact CG2-CE2 3.57Å; H339-F368 AromaticContact CE1-CD1 3.96Å; H339-F368 AromaticContact CE1-CE1 3.18Å; H339-F368 WeakPolarHBondContact CE1-CE1 3.17Å; H339-F368 AromaticContact CE1-CZ 3.33Å; H339-F368 WeakPolarHBondContact CE1-CZ 3.01Å; H339-F368 AromaticContact ND1-CE1 3.15Å; H339-F368 WeakPolarHBondContact ND1-CE1 3.49Å; H339-F368 AromaticContact ND1-CE2 3.79Å; H339-F368 AromaticContact ND1-CZ 2.87Å; H339-F368 WeakPolarHBondContact ND1-CZ 3.33Å; R364-F368 HydrophobicContact CB-CE2 4Å; R364-F368 WeakPolarHBondContact O-CD2 3.11Å; R364-F368 WeakPolarHBondContact O-CE2 3.12Å; R364-F368 PolarHBondContact O-N 2.8Å; C365-F368 PolarHBondContact O-N 3.22Å; F368-A420 HydrophobicContact CD1-CB 4.05Å; F368-A420 HydrophobicContact CE1-CB 3.53Å; F368-A420 HydrophobicContact CZ-CB 4.37Å; F368-R427 PolarHBondContact O-NE 3.48Å; F368-R427 VanDerWaalsContact O-NE 3.08Å; F368-R427 PolarHBondContact O-NH2 3.09Å; F368-L430 HydrophobicContact CD2-CB 4.26Å; F368-L430 HydrophobicContact CG-CB 4.42Å; F368-I431 HydrophobicContact CB-CG1 3.92Å; F368-I431 WeakPolarHBondContact O-CD1 3.21Å
369	D	88.6	Confident	83.4	Confident	28 Å²	28	40.7 Å²	40.7	15%	0.15	21%	0.213	C	C	.	.	H	α-helix	trans	-92.5	3.8	-176.1	-160.6	43	0	0	0	114.3	C365 C367 A371 N372 N373 H435	C365-D369 PolarHBondContact O-N 3.26Å; C367-D369 VanDerWaalsContact C-N 3.31Å; C367-D369 PolarHBondContact O-N 3.01Å; D369-A371 PolarHBondContact O-N 3.48Å; D369-N372 PolarHBondContact O-N 3.31Å; D369-N372 VanDerWaalsContact OD1-CB 3.31Å; D369-N372 WeakPolarHBondContact OD1-CB 3.27Å; D369-N372 PolarHBondContact OD1-ND2 3.49Å; D369-N373 WeakPolarHBondContact O-CB 3.47Å; D369-N373 PolarHBondContact O-N 2.94Å; D369-H435 IonicContact OD1-NE2 3.87Å; D369-H435 IonicContact OD2-CE1 3.9Å; D369-H435 IonicContact OD2-NE2 2.66Å
370	S	87.7	Confident	83.7	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-28.5	-173.9	67.8	0	0	0	0	114	L366 C367 R377 F378 C380	L366-S370 VanDerWaalsContact O-CA 3.3Å; L366-S370 WeakPolarHBondContact O-CA 3.5Å; L366-S370 VanDerWaalsContact O-CB 3.27Å; L366-S370 WeakPolarHBondContact O-CB 3.33Å; L366-S370 PolarHBondContact O-N 3.24Å; C367-S370 PolarHBondContact O-N 3.02Å; C367-S370 PolarHBondContact O-OG 2.7Å; S370-R377 WeakPolarHBondContact O-CA 3.23Å; S370-R377 PolarHBondContact O-N 3.05Å; S370-F378 CarbonylContact C-O 3.51Å; S370-F378 WeakPolarHBondContact CB-O 3.42Å; S370-F378 PolarHBondContact OG-O 3.49Å; S370-C380 WeakPolarHBondContact OG-CB 3.35Å; S370-C380 PolarHBondContact OG-N 2.67Å
371	A	84.8	Confident	84	Confident	42 Å²	42	40.9 Å²	40.9	35%	0.347	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-34.4	178.6	0	0	0	0	0	112.7	D369 F378 I379	D369-A371 PolarHBondContact O-N 3.48Å; A371-F378 WeakPolarHBondContact CA-O 3.31Å; A371-F378 PolarHBondContact N-O 2.88Å; A371-F378 VanDerWaalsContact N-O 3.15Å; A371-I379 HydrophobicContact CB-CG1 4.12Å
372	N	83.1	Confident	84.4	Confident	110 Å²	110	40.2 Å²	40.2	59%	0.588	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-19.4	176.7	-52.2	-47.4	0	0	0	112	D369 E374	D369-N372 PolarHBondContact O-N 3.31Å; D369-N372 VanDerWaalsContact OD1-CB 3.31Å; D369-N372 WeakPolarHBondContact OD1-CB 3.27Å; D369-N372 PolarHBondContact OD1-ND2 3.49Å; N372-E374 PolarHBondContact O-N 3.23Å
373	N	81.2	Confident	84.8	Confident	42 Å²	42	37.2 Å²	37.2	23%	0.225	18%	0.184	C	C	.	.			trans	-67.7	121.5	176.4	-169.8	-55.3	0	0	0	110.7	D369 K375 Y376 R377	D369-N373 WeakPolarHBondContact O-CB 3.47Å; D369-N373 PolarHBondContact O-N 2.94Å; N373-K375 PolarHBondContact O-N 3.15Å; N373-K375 VanDerWaalsContact O-N 3.17Å; N373-K375 WeakPolarHBondContact OD1-CB 3.12Å; N373-K375 PolarHBondContact OD1-N 3.08Å; N373-Y376 HydrophobicContact CB-CD2 3.91Å; N373-Y376 PolarHBondContact O-N 3.29Å; N373-R377 WeakPolarHBondContact O-CG 3.35Å; N373-R377 PolarHBondContact O-N 3.26Å
374	E	74	Confident	84.9	Confident	141 Å²	141	37.6 Å²	37.6	66%	0.659	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-27.7	-176.7	-58.3	-164.1	144.9	0	0	113.9	N372 R377 P553	N372-E374 PolarHBondContact O-N 3.23Å; E374-R377 IonicContact OE1-NH2 2.81Å; E374-P553 WeakPolarHBondContact O-CG 3.34Å
375	K	72.9	Confident	84.7	Confident	84 Å²	84	38.4 Å²	38.4	37%	0.365	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-33.2	-179.5	-172.4	179.7	175.8	179.7	0	112.8	N373 V550	N373-K375 PolarHBondContact O-N 3.15Å; N373-K375 VanDerWaalsContact O-N 3.17Å; N373-K375 WeakPolarHBondContact OD1-CB 3.12Å; N373-K375 PolarHBondContact OD1-N 3.08Å; K375-V550 HydrophobicContact CG-CG1 4.15Å
376	Y	78.9	Confident	84.3	Confident	13 Å²	13	39.7 Å²	39.7	5%	0.051	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-51.9	-170.7	-52.4	-54.1	0	0	0	112.6	A353 Q355 L366 N373 F378 L394	A353-Y376 HydrophobicContact CB-CD1 3.52Å; A353-Y376 HydrophobicContact CB-CE1 3.61Å; A353-Y376 HydrophobicContact CB-CG 4.45Å; Q355-Y376 PolarHBondContact OE1-OH 2.93Å; L366-Y376 HydrophobicContact CD2-CE2 4.24Å; N373-Y376 HydrophobicContact CB-CD2 3.91Å; N373-Y376 PolarHBondContact O-N 3.29Å; Y376-F378 HydrophobicContact CD1-CE1 4.49Å; Y376-F378 HydrophobicContact CG-CE1 4.41Å; Y376-F378 WeakPolarHBondContact O-CD1 3.32Å; Y376-F378 PolarHBondContact O-N 3.27Å; Y376-L394 HydrophobicContact CD1-CD1 4.39Å; Y376-L394 HydrophobicContact CD2-CD1 3.83Å; Y376-L394 HydrophobicContact CE1-CD1 4.27Å; Y376-L394 HydrophobicContact CE2-CD1 3.72Å; Y376-L394 HydrophobicContact CG-CD1 4.18Å
377	R	74.9	Confident	83.6	Confident	94 Å²	94	38.6 Å²	38.6	36%	0.355	19%	0.185	S	C	.	.			trans	47.9	30.7	179.9	-63.4	-165.7	169.1	132.9	1.5	116.1	S370 N373 E374 P553	S370-R377 WeakPolarHBondContact O-CA 3.23Å; S370-R377 PolarHBondContact O-N 3.05Å; N373-R377 WeakPolarHBondContact O-CG 3.35Å; N373-R377 PolarHBondContact O-N 3.26Å; E374-R377 IonicContact OE1-NH2 2.81Å; R377-P553 HydrophobicContact CB-CB 4.24Å; R377-P553 HydrophobicContact CG-CB 4.22Å
378	F	79.6	Confident	82.8	Confident	16 Å²	16	47.2 Å²	47.2	7%	0.07	22%	0.222	C	C	.	.	S	Bend	trans	-123	157.3	168.2	65.9	-99.2	0	0	0	110.1	A353 S370 A371 Y376 C380 L394 L396	A353-F378 HydrophobicContact CB-CE1 3.88Å; A353-F378 HydrophobicContact CB-CZ 3.9Å; S370-F378 CarbonylContact C-O 3.51Å; S370-F378 WeakPolarHBondContact CB-O 3.42Å; S370-F378 PolarHBondContact OG-O 3.49Å; A371-F378 WeakPolarHBondContact CA-O 3.31Å; A371-F378 PolarHBondContact N-O 2.88Å; A371-F378 VanDerWaalsContact N-O 3.15Å; Y376-F378 HydrophobicContact CD1-CE1 4.49Å; Y376-F378 HydrophobicContact CG-CE1 4.41Å; Y376-F378 WeakPolarHBondContact O-CD1 3.32Å; Y376-F378 PolarHBondContact O-N 3.27Å; F378-C380 HydrophobicContact CD2-CB 4.31Å; F378-C380 HydrophobicContact CE2-CB 3.81Å; F378-C380 PolarHBondContact O-N 2.69Å; F378-L394 HydrophobicContact CE2-CB 4.22Å; F378-L394 HydrophobicContact CZ-CB 3.82Å; F378-L396 HydrophobicContact CB-CD2 3.9Å; F378-L396 HydrophobicContact CD1-CD2 4.25Å; F378-L396 HydrophobicContact CD2-CD2 3.28Å; F378-L396 HydrophobicContact CD2-CG 4.37Å; F378-L396 HydrophobicContact CE2-CD2 3.76Å; F378-L396 HydrophobicContact CE2-CG 4.44Å; F378-L396 HydrophobicContact CG-CD2 3.56Å; F378-L396 HydrophobicContact CZ-CD2 4.43Å
379	I	82.7	Confident	82.2	Confident	87 Å²	87	51.5 Å²	51.5	45%	0.446	24%	0.243	S	C	.	.			trans	-80	104.4	174.6	-58.7	173	0	0	0	108.3	A371 R381	A371-I379 HydrophobicContact CB-CG1 4.12Å; I379-R381 PolarHBondContact O-N 3.07Å
380	C	88.6	Confident	81.9	Confident	0 Å²	0	55 Å²	55	0%	0	25%	0.254	C	S	.	.			trans	-72.3	124.9	172.7	176.8	0	0	0	0	109	C367 S370 F378 S382 L394 N395 R427	C367-C380 WeakPolarHBondContact CA-SG 3.27Å; C367-C380 HydrophobicContact CB-CB 3.99Å; C367-C380 WeakPolarHBondContact CB-SG 3.43Å; C367-C380 VanDerWaalsContact O-CB 3.31Å; C367-C380 WeakPolarHBondContact O-CB 3.43Å; C367-C380 WeakPolarHBondContact SG-CB 3.24Å; C367-C380 CovalentContact SG-SG 2.04Å; C367-C380 PolarHBondContact SG-SG 2.02Å; S370-C380 WeakPolarHBondContact OG-CB 3.35Å; S370-C380 PolarHBondContact OG-N 2.67Å; F378-C380 HydrophobicContact CD2-CB 4.31Å; F378-C380 HydrophobicContact CE2-CB 3.81Å; F378-C380 PolarHBondContact O-N 2.69Å; C380-S382 PolarHBondContact SG-O 3.04Å; C380-L394 HydrophobicContact CB-CB 4.49Å; C380-N395 CarbonylContact C-O 3.18Å; C380-N395 WeakPolarHBondContact CA-O 3.39Å; C380-R427 PolarHBondContact O-NH1 2.91Å; C380-R427 PolarHBondContact O-NH2 2.88Å
381	R	86.6	Confident	81.7	Confident	58 Å²	58	56.6 Å²	56.6	22%	0.219	26%	0.262	C	S	.	.			trans	-101.1	-25.7	-176.1	-67.5	-68.2	-176.9	178	1.5	112.4	I379 N395 L396 D398 A420 S421 N423	I379-R381 PolarHBondContact O-N 3.07Å; R381-N395 PolarHBondContact N-O 2.78Å; R381-L396 WeakPolarHBondContact CG-O 2.94Å; R381-D398 HydrophobicContact CB-CB 4.19Å; R381-A420 CarbonylContact O-C 3.43Å; R381-A420 WeakPolarHBondContact O-CA 3.45Å; R381-A420 WeakPolarHBondContact O-CB 3.35Å; R381-A420 PolarHBondContact O-N 2.86Å; R381-S421 PolarHBondContact O-N 3.28Å; R381-N423 PolarHBondContact NH1-OD1 3.46Å; R381-N423 VanDerWaalsContact NH1-OD1 3.07Å
382	S	90.8	Very high	81.7	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	171.5	168.6	87.3	0	0	0	0	109.8	C380 N395 Y397 Y417 L418	C380-S382 PolarHBondContact SG-O 3.04Å; S382-N395 WeakPolarHBondContact O-CA 3.44Å; S382-N395 VanDerWaalsContact O-CB 3.22Å; S382-N395 WeakPolarHBondContact O-CB 3.42Å; S382-N395 PolarHBondContact O-N 3.19Å; S382-N395 WeakPolarHBondContact OG-CB 3.49Å; S382-N395 PolarHBondContact OG-ND2 3.48Å; S382-N395 VanDerWaalsContact OG-ND2 3.13Å; S382-Y397 PolarHBondContact OG-O 3.5Å; S382-Y417 VanDerWaalsContact CB-CZ 3.43Å; S382-Y417 WeakPolarHBondContact CB-OH 3.35Å; S382-Y417 WeakPolarHBondContact OG-CE2 3.29Å; S382-Y417 PolarHBondContact OG-OH 2.83Å; S382-L418 CarbonylContact C-O 3.57Å; S382-L418 WeakPolarHBondContact CA-O 3.47Å; S382-L418 VanDerWaalsContact CB-O 3.24Å; S382-L418 WeakPolarHBondContact CB-O 3.15Å
383	A	92.3	Very high	81.9	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	157.8	170	0	0	0	0	0	111.2	C367 V393 L394 L418	C367-A383 HydrophobicContact CB-CB 4.2Å; A383-V393 CarbonylContact C-O 3.52Å; A383-V393 WeakPolarHBondContact CA-O 2.99Å; A383-V393 VanDerWaalsContact CB-O 3.29Å; A383-V393 WeakPolarHBondContact CB-O 3.33Å; A383-L394 HydrophobicContact CB-CD2 4.14Å; A383-L418 HydrophobicContact CB-CB 4.15Å; A383-L418 HydrophobicContact CB-CD1 4.12Å; A383-L418 PolarHBondContact N-O 2.86Å; A383-L418 WeakPolarHBondContact O-CB 3.4Å; A383-L418 PolarHBondContact O-N 2.93Å
384	L	88.7	Confident	82.2	Confident	8 Å²	8	48.3 Å²	48.3	4%	0.042	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	132.9	165.8	-53.7	178.7	0	0	0	108.1	Y386 C392 V393 V415 I416 Y417	L384-Y386 HydrophobicContact CB-CE2 3.93Å; L384-Y386 HydrophobicContact CD1-CE2 4.47Å; L384-C392 CarbonylContact O-C 3.28Å; L384-C392 WeakPolarHBondContact O-CA 3.24Å; L384-V393 HydrophobicContact CB-CB 4.08Å; L384-V393 HydrophobicContact CB-CG2 4.45Å; L384-V393 PolarHBondContact N-O 3.45Å; L384-V393 PolarHBondContact O-N 3.1Å; L384-V415 HydrophobicContact CB-CG2 3.92Å; L384-V415 HydrophobicContact CD2-CG2 4.36Å; L384-I416 CarbonylContact C-O 3.51Å; L384-I416 WeakPolarHBondContact CA-O 3.21Å; L384-Y417 HydrophobicContact CD2-CD2 3.7Å; L384-Y417 HydrophobicContact CD2-CG 4.41Å
385	Y	83.1	Confident	82.8	Confident	20 Å²	20	41.6 Å²	41.6	8%	0.078	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	123.1	173.8	-178.6	-108.5	0	0	0	109.5	V358 I360 C363 P387 D391 V415 I416	V358-Y385 VanDerWaalsContact O-CE2 3.23Å; V358-Y385 WeakPolarHBondContact O-CE2 2.97Å; V358-Y385 PolarHBondContact O-OH 3.36Å; I360-Y385 HydrophobicContact CB-CD1 3.64Å; I360-Y385 HydrophobicContact CB-CD2 4.41Å; I360-Y385 HydrophobicContact CB-CE1 3.63Å; I360-Y385 HydrophobicContact CB-CE2 4.4Å; I360-Y385 HydrophobicContact CB-CG 4.04Å; I360-Y385 HydrophobicContact CD1-CD1 3.92Å; I360-Y385 HydrophobicContact CG1-CD1 3.67Å; I360-Y385 HydrophobicContact CG1-CE1 4.2Å; I360-Y385 HydrophobicContact CG1-CG 3.9Å; C363-Y385 HydrophobicContact CB-CD2 4.04Å; Y385-P387 HydrophobicContact CD1-CG 4.02Å; Y385-P387 HydrophobicContact CE1-CB 4.03Å; Y385-P387 HydrophobicContact CE1-CG 3.99Å; Y385-P387 WeakPolarHBondContact O-CD 3.36Å; Y385-D391 CarbonylContact C-O 3.55Å; Y385-D391 WeakPolarHBondContact CA-O 3.38Å; Y385-V415 CarbonylContact O-C 3.59Å; Y385-V415 WeakPolarHBondContact O-CA 3.32Å; Y385-I416 HydrophobicContact CD1-CD1 4Å; Y385-I416 PolarHBondContact N-O 2.93Å; Y385-I416 PolarHBondContact O-N 3.47Å
386	Y	81.5	Confident	83.2	Confident	54 Å²	54	38 Å²	38	21%	0.212	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	102.2	177	-67.6	-87.8	0	0	0	108.4	L384 K388 E389 R390 D391 V393 S414 V415	L384-Y386 HydrophobicContact CB-CE2 3.93Å; L384-Y386 HydrophobicContact CD1-CE2 4.47Å; Y386-K388 VanDerWaalsContact C-N 3.3Å; Y386-K388 PolarHBondContact O-N 2.83Å; Y386-E389 PolarHBondContact O-N 3.17Å; Y386-R390 WeakPolarHBondContact O-CA 3.36Å; Y386-R390 PolarHBondContact O-N 2.99Å; Y386-D391 HydrophobicContact CD2-CB 4.49Å; Y386-D391 PolarHBondContact N-O 2.8Å; Y386-D391 PolarHBondContact O-N 3.29Å; Y386-V393 HydrophobicContact CD2-CG2 4.28Å; Y386-V393 HydrophobicContact CE2-CG2 3.83Å; Y386-S414 WeakPolarHBondContact CD1-O 3.48Å; Y386-V415 HydrophobicContact CD1-CB 4.01Å; Y386-V415 HydrophobicContact CD1-CG2 3.93Å; Y386-V415 HydrophobicContact CD2-CG2 4.37Å; Y386-V415 HydrophobicContact CE1-CB 3.73Å; Y386-V415 HydrophobicContact CE1-CG2 3.54Å; Y386-V415 HydrophobicContact CE2-CG2 4.02Å; Y386-V415 HydrophobicContact CG-CG2 4.32Å
387	P	75.2	Confident	83.2	Confident	9 Å²	9	39.2 Å²	39.2	6%	0.058	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-33.1	-168.7	-25.9	37.1	0	0	0	114.2	Y385 S414 I416	Y385-P387 HydrophobicContact CD1-CG 4.02Å; Y385-P387 HydrophobicContact CE1-CB 4.03Å; Y385-P387 HydrophobicContact CE1-CG 3.99Å; Y385-P387 WeakPolarHBondContact O-CD 3.36Å; P387-S414 WeakPolarHBondContact CD-O 3.48Å; P387-I416 HydrophobicContact CG-CD1 3.55Å; P387-I416 HydrophobicContact CG-CG1 4.38Å
388	K	74	Confident	83.5	Confident	183 Å²	183	35.2 Å²	35.2	80%	0.796	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-41.5	-176.2	178.9	-175	173.1	-158	0	111.2	Y386	Y386-K388 VanDerWaalsContact C-N 3.3Å; Y386-K388 PolarHBondContact O-N 2.83Å
389	E	77.7	Confident	83.3	Confident	93 Å²	93	35.5 Å²	35.5	44%	0.435	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-14.2	178.6	-63.4	72.4	-156.8	0	0	112.4	Y386 D391	Y386-E389 PolarHBondContact O-N 3.17Å; E389-D391 HydrophobicContact CB-CB 4.08Å; E389-D391 PolarHBondContact O-N 3.42Å
390	R	80.7	Confident	82.9	Confident	102 Å²	102	37 Å²	37	39%	0.385	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	34.7	-169.7	-64.5	166.7	54.3	123.4	-4.3	112.1	D357 V358 Y386	D357-R390 PolarHBondContact N-O 2.97Å; D357-R390 IonicContact OD1-CZ 3.66Å; D357-R390 IonicContact OD1-NE 3.75Å; D357-R390 PolarHBondContact OD1-NE 3.16Å; D357-R390 IonicContact OD1-NH2 2.79Å; D357-R390 PolarHBondContact OD1-NH2 2.88Å; V358-R390 PolarHBondContact N-O 3.07Å; Y386-R390 WeakPolarHBondContact O-CA 3.36Å; Y386-R390 PolarHBondContact O-N 2.99Å
391	D	84.2	Confident	82.1	Confident	32 Å²	32	41.4 Å²	41.4	17%	0.171	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	134.1	-177	-80.3	-0.5	0	0	0	111.2	L354 H356 Y385 Y386 E389	L354-D391 HydrophobicContact CD1-CB 4.22Å; H356-D391 WeakPolarHBondContact CA-OD1 3.41Å; H356-D391 IonicContact CE1-OD1 3.58Å; H356-D391 IonicContact CE1-OD2 3.54Å; H356-D391 PolarHBondContact CE1-OD2 3.01Å; H356-D391 IonicContact CG-OD1 3.96Å; H356-D391 IonicContact ND1-OD1 3.99Å; H356-D391 PolarHBondContact ND1-OD1 3.23Å; H356-D391 IonicContact ND1-OD2 2.81Å; H356-D391 PolarHBondContact ND1-OD2 3.3Å; H356-D391 VanDerWaalsContact ND1-OD2 3.13Å; Y385-D391 CarbonylContact C-O 3.55Å; Y385-D391 WeakPolarHBondContact CA-O 3.38Å; Y386-D391 HydrophobicContact CD2-CB 4.49Å; Y386-D391 PolarHBondContact N-O 2.8Å; Y386-D391 PolarHBondContact O-N 3.29Å; E389-D391 HydrophobicContact CB-CB 4.08Å; E389-D391 PolarHBondContact O-N 3.42Å
392	C	85.5	Confident	81.3	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	115.2	178	179.1	0	0	0	0	110.7	L354 Q355 V358 C363 L384 L394	L354-C392 CarbonylContact C-O 3.6Å; L354-C392 WeakPolarHBondContact CA-O 3.45Å; Q355-C392 HydrophobicContact CB-CB 4.31Å; Q355-C392 PolarHBondContact N-O 2.88Å; Q355-C392 WeakPolarHBondContact O-CB 3.1Å; Q355-C392 PolarHBondContact O-N 2.96Å; V358-C392 HydrophobicContact CG2-CB 3.37Å; C363-C392 WeakPolarHBondContact CA-SG 3.37Å; C363-C392 HydrophobicContact CB-CB 3.5Å; C363-C392 WeakPolarHBondContact CB-SG 3.38Å; C363-C392 WeakPolarHBondContact SG-CB 3.45Å; C363-C392 CovalentContact SG-SG 2.02Å; C363-C392 PolarHBondContact SG-SG 2.82Å; L384-C392 CarbonylContact O-C 3.28Å; L384-C392 WeakPolarHBondContact O-CA 3.24Å; C392-L394 VanDerWaalsContact SG-CD2 3.52Å
393	V	86.8	Confident	80.2	Confident	20 Å²	20	46.2 Å²	46.2	12%	0.121	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	113.9	172.5	-171.5	0	0	0	0	108.5	A351 A353 L354 A383 L384 Y386 N395	A351-V393 HydrophobicContact CB-CG1 3.39Å; A353-V393 CarbonylContact O-C 3.49Å; A353-V393 VanDerWaalsContact O-CA 3.32Å; A353-V393 WeakPolarHBondContact O-CA 3Å; L354-V393 HydrophobicContact CD1-CG2 3.83Å; A383-V393 CarbonylContact C-O 3.52Å; A383-V393 WeakPolarHBondContact CA-O 2.99Å; A383-V393 VanDerWaalsContact CB-O 3.29Å; A383-V393 WeakPolarHBondContact CB-O 3.33Å; L384-V393 HydrophobicContact CB-CB 4.08Å; L384-V393 HydrophobicContact CB-CG2 4.45Å; L384-V393 PolarHBondContact N-O 3.45Å; L384-V393 PolarHBondContact O-N 3.1Å; Y386-V393 HydrophobicContact CD2-CG2 4.28Å; Y386-V393 HydrophobicContact CE2-CG2 3.83Å; V393-N395 WeakPolarHBondContact CG1-OD1 3.39Å
394	L	88.1	Confident	78.7	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	120.9	174.9	-56.8	-175.3	0	0	0	109.2	G352 A353 L366 C367 Y376 F378 C380 A383 C392	G352-L394 CarbonylContact C-O 3.6Å; G352-L394 WeakPolarHBondContact CA-O 3.48Å; G352-L394 PolarHBondContact N-O 2.86Å; A353-L394 HydrophobicContact CB-CB 4.15Å; A353-L394 HydrophobicContact CB-CD1 4.23Å; A353-L394 HydrophobicContact CB-CG 4.42Å; A353-L394 PolarHBondContact N-O 2.91Å; A353-L394 PolarHBondContact O-N 3.48Å; L366-L394 HydrophobicContact CB-CD1 4.3Å; L366-L394 HydrophobicContact CB-CD2 4.29Å; C367-L394 HydrophobicContact CB-CD2 3.78Å; Y376-L394 HydrophobicContact CD1-CD1 4.39Å; Y376-L394 HydrophobicContact CD2-CD1 3.83Å; Y376-L394 HydrophobicContact CE1-CD1 4.27Å; Y376-L394 HydrophobicContact CE2-CD1 3.72Å; Y376-L394 HydrophobicContact CG-CD1 4.18Å; F378-L394 HydrophobicContact CE2-CB 4.22Å; F378-L394 HydrophobicContact CZ-CB 3.82Å; C380-L394 HydrophobicContact CB-CB 4.49Å; A383-L394 HydrophobicContact CB-CD2 4.14Å; C392-L394 VanDerWaalsContact SG-CD2 3.52Å
395	N	87	Confident	77.7	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	146.9	-174.1	-60.6	-24.9	0	0	0	113	V350 A351 C380 R381 S382 V393	V350-N395 HydrophobicContact CB-CB 4.33Å; V350-N395 HydrophobicContact CG2-CB 3.67Å; V350-N395 CarbonylContact O-C 3.28Å; V350-N395 VanDerWaalsContact O-CA 3.23Å; V350-N395 WeakPolarHBondContact O-CA 3.26Å; V350-N395 WeakPolarHBondContact O-CB 3.2Å; A351-N395 WeakPolarHBondContact CA-OD1 2.99Å; C380-N395 CarbonylContact C-O 3.18Å; C380-N395 WeakPolarHBondContact CA-O 3.39Å; R381-N395 PolarHBondContact N-O 2.78Å; S382-N395 WeakPolarHBondContact O-CA 3.44Å; S382-N395 VanDerWaalsContact O-CB 3.22Å; S382-N395 WeakPolarHBondContact O-CB 3.42Å; S382-N395 PolarHBondContact O-N 3.19Å; S382-N395 WeakPolarHBondContact OG-CB 3.49Å; S382-N395 PolarHBondContact OG-ND2 3.48Å; S382-N395 VanDerWaalsContact OG-ND2 3.13Å; V393-N395 WeakPolarHBondContact CG1-OD1 3.39Å
396	L	80.7	Confident	77.4	Confident	8 Å²	8	52.9 Å²	52.9	4%	0.042	24%	0.241	C	C	.	.	S	Bend	trans	-82.9	-18.1	179.7	-62.8	160.5	0	0	0	112.9	V350 F378 R381 V494 Y497	V350-L396 PolarHBondContact O-N 3.03Å; F378-L396 HydrophobicContact CB-CD2 3.9Å; F378-L396 HydrophobicContact CD1-CD2 4.25Å; F378-L396 HydrophobicContact CD2-CD2 3.28Å; F378-L396 HydrophobicContact CD2-CG 4.37Å; F378-L396 HydrophobicContact CE2-CD2 3.76Å; F378-L396 HydrophobicContact CE2-CG 4.44Å; F378-L396 HydrophobicContact CG-CD2 3.56Å; F378-L396 HydrophobicContact CZ-CD2 4.43Å; R381-L396 WeakPolarHBondContact CG-O 2.94Å; L396-V494 HydrophobicContact CD1-CG1 3.35Å; L396-Y497 HydrophobicContact CB-CE2 4.41Å; L396-Y497 HydrophobicContact CD1-CD1 4.48Å; L396-Y497 HydrophobicContact CD1-CD2 3.88Å; L396-Y497 HydrophobicContact CD1-CE1 4.15Å; L396-Y497 HydrophobicContact CD1-CE2 3.55Å; L396-Y497 HydrophobicContact CD1-CG 4.36Å; L396-Y497 HydrophobicContact CD2-CE1 3.99Å; L396-Y497 HydrophobicContact CD2-CE2 4.47Å; L396-Y497 HydrophobicContact CG-CE2 4.34Å
397	Y	79.6	Confident	76.9	Confident	38 Å²	38	53.4 Å²	53.4	15%	0.149	25%	0.246	C	C	.	.	S	Bend	trans	-127.7	155.6	179.5	-59.4	-78.9	0	0	0	110.4	L347 V350 S382 Q401 R402 Q558	L347-Y397 WeakPolarHBondContact CD2-O 2.99Å; V350-Y397 HydrophobicContact CB-CD2 3.89Å; V350-Y397 HydrophobicContact CG1-CD2 3.61Å; V350-Y397 HydrophobicContact CG1-CG 4.15Å; S382-Y397 PolarHBondContact OG-O 3.5Å; Y397-Q401 HydrophobicContact CD1-CB 4.15Å; Y397-R402 HydrophobicContact CD1-CG 4.11Å; Y397-R402 HydrophobicContact CD2-CG 4.29Å; Y397-R402 HydrophobicContact CG-CG 3.81Å; Y397-Q558 PolarHBondContact OH-NE2 3.31Å
398	D	79.5	Confident	76.7	Confident	10 Å²	10	58 Å²	58	5%	0.053	27%	0.266	C	S	.	.			trans	-102.4	174.7	167.3	62.7	48.2	0	0	0	111.6	R381 W400 Q401 R402 Y417 S421	R381-D398 HydrophobicContact CB-CB 4.19Å; D398-W400 PolarHBondContact O-N 2.93Å; D398-W400 WeakPolarHBondContact OD1-CA 3.25Å; D398-W400 VanDerWaalsContact OD1-CB 3.27Å; D398-W400 WeakPolarHBondContact OD1-CB 3.17Å; D398-W400 PolarHBondContact OD1-N 2.83Å; D398-Q401 PolarHBondContact O-N 3.34Å; D398-Q401 WeakPolarHBondContact OD1-CG 3.36Å; D398-Q401 PolarHBondContact OD1-N 2.91Å; D398-Q401 PolarHBondContact OD2-OE1 3.34Å; D398-R402 PolarHBondContact O-N 2.61Å; D398-Y417 WeakPolarHBondContact CA-OH 3.47Å; D398-Y417 WeakPolarHBondContact CB-OH 3.35Å; D398-S421 WeakPolarHBondContact OD2-CB 3.44Å
399	R	75.6	Confident	76.1	Confident	22 Å²	22	50.7 Å²	50.7	8%	0.083	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-13.6	-178.7	66.7	175.9	-174.9	-111.9	3.5	113.7	D340 V342 L347 P403 F406 Y417 D419	D340-R399 IonicContact OD2-CZ 3.46Å; D340-R399 IonicContact OD2-NH1 3.72Å; D340-R399 PolarHBondContact OD2-NH1 3.15Å; D340-R399 IonicContact OD2-NH2 2.92Å; D340-R399 PolarHBondContact OD2-NH2 3.13Å; V342-R399 VanDerWaalsContact CG2-NH1 3.34Å; L347-R399 HydrophobicContact CD1-CB 4.47Å; R399-P403 WeakPolarHBondContact O-CA 3.39Å; R399-P403 WeakPolarHBondContact O-CB 3.31Å; R399-F406 HydrophobicContact CB-CB 3.89Å; R399-F406 HydrophobicContact CB-CD1 3.94Å; R399-F406 HydrophobicContact CB-CD2 3.63Å; R399-F406 HydrophobicContact CB-CE1 4.37Å; R399-F406 HydrophobicContact CB-CE2 4.1Å; R399-F406 HydrophobicContact CB-CG 3.53Å; R399-F406 HydrophobicContact CB-CZ 4.44Å; R399-Y417 HydrophobicContact CG-CE1 4.25Å; R399-Y417 PolarHBondContact N-OH 2.64Å; R399-Y417 VanDerWaalsContact NH1-CE1 3.34Å; R399-D419 IonicContact CZ-OD2 3.9Å; R399-D419 IonicContact NE-OD2 3.11Å; R399-D419 IonicContact NH1-OD2 2.64Å; R399-D419 PolarHBondContact NH1-OD2 2.86Å; R399-D419 IonicContact NH2-OD2 2.86Å
400	W	75.9	Confident	75.2	Confident	119 Å²	119	50 Å²	50	45%	0.451	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-34.8	177.5	-53	108.1	0	0	0	111	F70 V336 D398 D419	F70-W400 HydrophobicContact CZ-CZ3 4.01Å; V336-W400 HydrophobicContact CB-CZ2 4.43Å; V336-W400 HydrophobicContact CG1-CZ2 4.03Å; V336-W400 HydrophobicContact CG2-CH2 4.27Å; V336-W400 HydrophobicContact CG2-CZ2 3.66Å; D398-W400 PolarHBondContact O-N 2.93Å; D398-W400 WeakPolarHBondContact OD1-CA 3.25Å; D398-W400 VanDerWaalsContact OD1-CB 3.27Å; D398-W400 WeakPolarHBondContact OD1-CB 3.17Å; D398-W400 PolarHBondContact OD1-N 2.83Å; W400-D419 PolarHBondContact NE1-OD2 3.11Å
401	Q	70.4	Confident	74.3	Confident	92 Å²	92	49.2 Å²	49.2	43%	0.43	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-38.2	173.2	-65.2	179.4	-65.4	0	0	112	Y397 D398 P403	Y397-Q401 HydrophobicContact CD1-CB 4.15Å; D398-Q401 PolarHBondContact O-N 3.34Å; D398-Q401 WeakPolarHBondContact OD1-CG 3.36Å; D398-Q401 PolarHBondContact OD1-N 2.91Å; D398-Q401 PolarHBondContact OD2-OE1 3.34Å; Q401-P403 VanDerWaalsContact C-CD 3.48Å
402	R	69.6	Low	72.7	Confident	77 Å²	77	52.3 Å²	52.3	29%	0.291	25%	0.254	S	S	.	.			trans	-129.1	62.6	-179.7	-64.3	-58.5	-57.8	-90.5	6.2	112.5	L347 V350 Y397 D398 D404 L405 F406	L347-R402 HydrophobicContact CD1-CB 4.39Å; L347-R402 VanDerWaalsContact CD1-O 3.31Å; L347-R402 WeakPolarHBondContact CD1-O 3.5Å; V350-R402 HydrophobicContact CG1-CB 4.45Å; V350-R402 HydrophobicContact CG1-CG 4.3Å; Y397-R402 HydrophobicContact CD1-CG 4.11Å; Y397-R402 HydrophobicContact CD2-CG 4.29Å; Y397-R402 HydrophobicContact CG-CG 3.81Å; D398-R402 PolarHBondContact O-N 2.61Å; R402-D404 VanDerWaalsContact C-OD1 3.25Å; R402-D404 VanDerWaalsContact CA-OD1 3.32Å; R402-D404 WeakPolarHBondContact CA-OD1 3.41Å; R402-D404 IonicContact CZ-OD1 3.71Å; R402-D404 IonicContact CZ-OD2 3.64Å; R402-D404 IonicContact NE-OD1 2.84Å; R402-D404 PolarHBondContact NE-OD1 2.81Å; R402-D404 VanDerWaalsContact NE-OD1 3.11Å; R402-D404 IonicContact NE-OD2 3.59Å; R402-D404 PolarHBondContact NE-OD2 2.76Å; R402-D404 IonicContact NH2-OD1 3.44Å; R402-D404 IonicContact NH2-OD2 2.67Å; R402-D404 PolarHBondContact NH2-OD2 2.92Å; R402-D404 PolarHBondContact O-N 3.47Å; R402-L405 HydrophobicContact CB-CB 4.25Å; R402-L405 HydrophobicContact CB-CD1 4.11Å; R402-L405 HydrophobicContact CB-CG 4.23Å; R402-L405 HydrophobicContact CG-CD1 4.33Å; R402-L405 VanDerWaalsContact NH2-CD1 3.32Å; R402-L405 PolarHBondContact O-N 2.99Å; R402-F406 PolarHBondContact O-N 3.5Å
403	P	67.7	Low	71.5	Confident	83 Å²	83	56.8 Å²	56.8	54%	0.539	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-63.7	-25.1	-179.8	27.1	-34.7	0	0	0	112.6	R399 Q401 L405 F406	R399-P403 WeakPolarHBondContact O-CA 3.39Å; R399-P403 WeakPolarHBondContact O-CB 3.31Å; Q401-P403 VanDerWaalsContact C-CD 3.48Å; P403-L405 PolarHBondContact O-N 3.02Å; P403-F406 PolarHBondContact O-N 2.97Å
404	D	61.7	Low	70.7	Confident	93 Å²	93	57.5 Å²	57.5	50%	0.497	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-61.9	-28.1	173.8	58.3	-54.4	0	0	0	113.3	R402	R402-D404 VanDerWaalsContact C-OD1 3.25Å; R402-D404 VanDerWaalsContact CA-OD1 3.32Å; R402-D404 WeakPolarHBondContact CA-OD1 3.41Å; R402-D404 IonicContact CZ-OD1 3.71Å; R402-D404 IonicContact CZ-OD2 3.64Å; R402-D404 IonicContact NE-OD1 2.84Å; R402-D404 PolarHBondContact NE-OD1 2.81Å; R402-D404 VanDerWaalsContact NE-OD1 3.11Å; R402-D404 IonicContact NE-OD2 3.59Å; R402-D404 PolarHBondContact NE-OD2 2.76Å; R402-D404 IonicContact NH2-OD1 3.44Å; R402-D404 IonicContact NH2-OD2 2.67Å; R402-D404 PolarHBondContact NH2-OD2 2.92Å; R402-D404 PolarHBondContact O-N 3.47Å
405	L	67	Low	70	Confident	27 Å²	27	57.5 Å²	57.5	14%	0.141	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-98.5	-5.1	-178.7	-58.2	-176.5	0	0	0	113	L347 K348 V350 R402 P403 Q407	L347-L405 WeakPolarHBondContact CA-O 3.38Å; L347-L405 HydrophobicContact CD1-CB 4Å; K348-L405 PolarHBondContact N-O 2.93Å; K348-L405 WeakPolarHBondContact O-CB 3.4Å; K348-L405 VanDerWaalsContact O-CD1 3.27Å; K348-L405 WeakPolarHBondContact O-CD1 3.2Å; V350-L405 HydrophobicContact CG1-CD1 3.68Å; R402-L405 HydrophobicContact CB-CB 4.25Å; R402-L405 HydrophobicContact CB-CD1 4.11Å; R402-L405 HydrophobicContact CB-CG 4.23Å; R402-L405 HydrophobicContact CG-CD1 4.33Å; R402-L405 VanDerWaalsContact NH2-CD1 3.32Å; R402-L405 PolarHBondContact O-N 2.99Å; P403-L405 PolarHBondContact O-N 3.02Å; L405-Q407 PolarHBondContact O-N 3.19Å
406	F	78.2	Confident	69.5	Low	48 Å²	48	57.5 Å²	57.5	21%	0.211	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	111.2	-178.9	-169	-118.3	0	0	0	109.8	V342 H345 S346 L347 R399 R402 P403 Y417	V342-F406 HydrophobicContact CB-CZ 4.16Å; V342-F406 HydrophobicContact CG1-CZ 4.01Å; V342-F406 HydrophobicContact CG2-CZ 4.37Å; H345-F406 HydrophobicContact CB-CD2 4.49Å; H345-F406 HydrophobicContact CB-CE1 4.09Å; H345-F406 HydrophobicContact CB-CE2 3.6Å; H345-F406 HydrophobicContact CB-CZ 3.36Å; H345-F406 AromaticContact CD2-CE1 3.66Å; H345-F406 AromaticContact CD2-CZ 3.85Å; H345-F406 AromaticContact CG-CZ 3.83Å; S346-F406 CarbonylContact O-C 3.58Å; S346-F406 WeakPolarHBondContact O-CA 3.31Å; S346-F406 WeakPolarHBondContact O-CD2 3.38Å; L347-F406 HydrophobicContact CB-CD2 4.33Å; L347-F406 HydrophobicContact CD1-CB 3.73Å; L347-F406 HydrophobicContact CD1-CD2 4.09Å; L347-F406 HydrophobicContact CD1-CG 4.39Å; R399-F406 HydrophobicContact CB-CB 3.89Å; R399-F406 HydrophobicContact CB-CD1 3.94Å; R399-F406 HydrophobicContact CB-CD2 3.63Å; R399-F406 HydrophobicContact CB-CE1 4.37Å; R399-F406 HydrophobicContact CB-CE2 4.1Å; R399-F406 HydrophobicContact CB-CG 3.53Å; R399-F406 HydrophobicContact CB-CZ 4.44Å; R402-F406 PolarHBondContact O-N 3.5Å; P403-F406 PolarHBondContact O-N 2.97Å; F406-Y417 HydrophobicContact CD2-CD2 4.19Å; F406-Y417 HydrophobicContact CD2-CE2 4.24Å; F406-Y417 AromaticContact CE2-CD1 3.97Å; F406-Y417 HydrophobicContact CE2-CD1 3.97Å; F406-Y417 AromaticContact CE2-CD2 3.61Å; F406-Y417 HydrophobicContact CE2-CD2 3.61Å; F406-Y417 HydrophobicContact CE2-CE1 4.31Å; F406-Y417 AromaticContact CE2-CE2 3.97Å; F406-Y417 HydrophobicContact CE2-CE2 3.97Å; F406-Y417 AromaticContact CE2-CG 3.61Å; F406-Y417 HydrophobicContact CE2-CG 3.61Å; F406-Y417 HydrophobicContact CZ-CD1 4.31Å; F406-Y417 HydrophobicContact CZ-CG 4.27Å
407	Q	70.6	Confident	69.6	Low	65 Å²	65	57.1 Å²	57.1	30%	0.304	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	146.3	-167.9	-64.6	176	12	0	0	110.6	H345 S346 L405	H345-Q407 CarbonylContact C-O 3.55Å; H345-Q407 VanDerWaalsContact CA-O 3.31Å; H345-Q407 WeakPolarHBondContact CA-O 3.41Å; S346-Q407 PolarHBondContact N-O 3.31Å; S346-Q407 PolarHBondContact O-N 3.32Å; L405-Q407 PolarHBondContact O-N 3.19Å
408	E	69.8	Low	69.9	Low	104 Å²	104	55.6 Å²	55.6	49%	0.486	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	135.5	169.3	-168.3	171.8	-164.5	0	0	109.5	G344 Y412	G344-E408 CarbonylContact O-C 3.59Å; G344-E408 WeakPolarHBondContact O-CA 3.48Å; E408-Y412 HydrophobicContact CG-CD2 4.42Å; E408-Y412 WeakPolarHBondContact OE1-CD2 3.23Å
409	E	61.6	Low	70	Confident	30 Å²	30	55.2 Å²	55.2	14%	0.14	27%	0.271	C	S	.	.			trans	-81.8	150.5	173.2	-68.6	-69.1	-171.6	0	0	111	G344 S346 K348 V411 V415	G344-E409 PolarHBondContact O-N 3.12Å; S346-E409 WeakPolarHBondContact CB-OE1 3.35Å; S346-E409 PolarHBondContact OG-OE1 3.34Å; K348-E409 IonicContact NZ-OE1 2.97Å; K348-E409 PolarHBondContact NZ-OE1 3.16Å; K348-E409 IonicContact NZ-OE2 3.71Å; K348-E409 PolarHBondContact NZ-OE2 3.31Å; E409-V411 VanDerWaalsContact C-N 3.25Å; E409-V411 PolarHBondContact O-N 3.04Å; E409-V415 HydrophobicContact CB-CG1 4.12Å; E409-V415 HydrophobicContact CG-CB 4.14Å; E409-V415 HydrophobicContact CG-CG1 3.26Å
410	T	59.5	Low	70.4	Confident	80 Å²	80	54.2 Å²	54.2	49%	0.491	27%	0.268	S	S	.	.	S	Bend	trans	-56.3	-38.3	176.7	51.7	0	0	0	0	113.5	H768	T410-H768 VanDerWaalsContact CB-CE1 3.43Å; T410-H768 WeakPolarHBondContact CB-CE1 2.81Å; T410-H768 VanDerWaalsContact CG2-CE1 3.47Å; T410-H768 WeakPolarHBondContact CG2-CE1 3.46Å
411	V	60.6	Low	70.2	Confident	85 Å²	85	49.9 Å²	49.9	52%	0.515	26%	0.255	S	S	.	.	S	Bend	trans	-103.7	100.9	172.7	-178.9	0	0	0	0	107.8	E409 Q413 S414	E409-V411 VanDerWaalsContact C-N 3.25Å; E409-V411 PolarHBondContact O-N 3.04Å; V411-Q413 PolarHBondContact O-N 3.46Å; V411-S414 WeakPolarHBondContact O-CB 3.29Å; V411-S414 PolarHBondContact O-N 3.26Å; V411-S414 PolarHBondContact O-OG 3.11Å
412	Y	51.5	Low	70.2	Confident	96 Å²	96	45.7 Å²	45.7	38%	0.376	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-24	-175.3	-169.8	-93.4	0	0	0	114.2	V343 G344 E408	V343-Y412 HydrophobicContact CB-CE1 3.97Å; V343-Y412 HydrophobicContact CG1-CD1 4.05Å; V343-Y412 HydrophobicContact CG1-CE1 3.75Å; V343-Y412 WeakPolarHBondContact CG1-O 3.49Å; V343-Y412 WeakPolarHBondContact O-CE2 3.41Å; V343-Y412 VanDerWaalsContact O-CZ 3.31Å; V343-Y412 PolarHBondContact O-OH 3.27Å; G344-Y412 WeakPolarHBondContact CA-O 3.11Å; G344-Y412 PolarHBondContact N-O 2.65Å; E408-Y412 HydrophobicContact CG-CD2 4.42Å; E408-Y412 WeakPolarHBondContact OE1-CD2 3.23Å
413	Q	59.7	Low	70.2	Confident	95 Å²	95	47.5 Å²	47.5	44%	0.444	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	5.7	179.9	-65.9	-178.5	-10.6	0	0	114.1	K231 V411	K231-Q413 HydrophobicContact CD-CB 4Å; K231-Q413 HydrophobicContact CD-CG 4.16Å; K231-Q413 HydrophobicContact CG-CB 4.47Å; K231-Q413 HydrophobicContact CG-CG 4.24Å; K231-Q413 PolarHBondContact O-NE2 3.07Å; V411-Q413 PolarHBondContact O-N 3.46Å
414	S	71.5	Confident	70.4	Confident	35 Å²	35	46.2 Å²	46.2	25%	0.245	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-25.8	179.3	64.9	0	0	0	0	112.9	Y386 P387 V411	Y386-S414 WeakPolarHBondContact CD1-O 3.48Å; P387-S414 WeakPolarHBondContact CD-O 3.48Å; V411-S414 WeakPolarHBondContact O-CB 3.29Å; V411-S414 PolarHBondContact O-N 3.26Å; V411-S414 PolarHBondContact O-OG 3.11Å
415	V	72.8	Confident	71	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.26	C	S	.	.			trans	-137.2	153.4	-176.8	78.9	0	0	0	0	111.4	G344 H345 L384 Y385 Y386 E409	G344-V415 PolarHBondContact N-O 2.04Å; H345-V415 VanDerWaalsContact O-CG1 3.24Å; H345-V415 WeakPolarHBondContact O-CG1 3.27Å; L384-V415 HydrophobicContact CB-CG2 3.92Å; L384-V415 HydrophobicContact CD2-CG2 4.36Å; Y385-V415 CarbonylContact O-C 3.59Å; Y385-V415 WeakPolarHBondContact O-CA 3.32Å; Y386-V415 HydrophobicContact CD1-CB 4.01Å; Y386-V415 HydrophobicContact CD1-CG2 3.93Å; Y386-V415 HydrophobicContact CD2-CG2 4.37Å; Y386-V415 HydrophobicContact CE1-CB 3.73Å; Y386-V415 HydrophobicContact CE1-CG2 3.54Å; Y386-V415 HydrophobicContact CE2-CG2 4.02Å; Y386-V415 HydrophobicContact CG-CG2 4.32Å; E409-V415 HydrophobicContact CB-CG1 4.12Å; E409-V415 HydrophobicContact CG-CB 4.14Å; E409-V415 HydrophobicContact CG-CG1 3.26Å
416	I	76.7	Confident	71.5	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	119.5	170.9	-62.3	150.8	0	0	0	108.3	I230 I341 V343 I360 L384 Y385 P387 L418	I230-I416 HydrophobicContact CB-CD1 4.43Å; I230-I416 HydrophobicContact CD1-CD1 3.87Å; I230-I416 HydrophobicContact CG2-CD1 3.46Å; I230-I416 VanDerWaalsContact CG2-CD1 3.46Å; I230-I416 HydrophobicContact CG2-CG1 3.8Å; I341-I416 HydrophobicContact CG2-CG2 3.41Å; I341-I416 VanDerWaalsContact CG2-CG2 3.41Å; V343-I416 HydrophobicContact CG1-CG1 4.48Å; V343-I416 HydrophobicContact CG2-CG1 4.48Å; I360-I416 HydrophobicContact CD1-CD1 3.89Å; I360-I416 HydrophobicContact CD1-CG2 4.12Å; L384-I416 CarbonylContact C-O 3.51Å; L384-I416 WeakPolarHBondContact CA-O 3.21Å; Y385-I416 HydrophobicContact CD1-CD1 4Å; Y385-I416 PolarHBondContact N-O 2.93Å; Y385-I416 PolarHBondContact O-N 3.47Å; P387-I416 HydrophobicContact CG-CD1 3.55Å; P387-I416 HydrophobicContact CG-CG1 4.38Å; I416-L418 HydrophobicContact CG2-CD2 3.9Å; I416-L418 HydrophobicContact CG2-CG 4.43Å
417	Y	82.8	Confident	71.6	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	132.5	169.8	177.2	-90.6	0	0	0	110.4	I341 V342 H345 L347 S382 L384 D398 R399 F406 D419	I341-Y417 CarbonylContact C-O 3.46Å; I341-Y417 WeakPolarHBondContact CA-O 3.43Å; V342-Y417 HydrophobicContact CB-CD1 4.22Å; V342-Y417 HydrophobicContact CG2-CD1 4.14Å; V342-Y417 PolarHBondContact N-O 3.5Å; V342-Y417 WeakPolarHBondContact O-CB 3.46Å; V342-Y417 PolarHBondContact O-N 3.3Å; H345-Y417 WeakPolarHBondContact O-CB 3.5Å; L347-Y417 HydrophobicContact CB-CD2 4.12Å; L347-Y417 HydrophobicContact CB-CE2 3.79Å; L347-Y417 HydrophobicContact CD2-CE2 3.94Å; L347-Y417 HydrophobicContact CG-CE2 4.45Å; S382-Y417 VanDerWaalsContact CB-CZ 3.43Å; S382-Y417 WeakPolarHBondContact CB-OH 3.35Å; S382-Y417 WeakPolarHBondContact OG-CE2 3.29Å; S382-Y417 PolarHBondContact OG-OH 2.83Å; L384-Y417 HydrophobicContact CD2-CD2 3.7Å; L384-Y417 HydrophobicContact CD2-CG 4.41Å; D398-Y417 WeakPolarHBondContact CA-OH 3.47Å; D398-Y417 WeakPolarHBondContact CB-OH 3.35Å; R399-Y417 HydrophobicContact CG-CE1 4.25Å; R399-Y417 PolarHBondContact N-OH 2.64Å; R399-Y417 VanDerWaalsContact NH1-CE1 3.34Å; F406-Y417 HydrophobicContact CD2-CD2 4.19Å; F406-Y417 HydrophobicContact CD2-CE2 4.24Å; F406-Y417 AromaticContact CE2-CD1 3.97Å; F406-Y417 HydrophobicContact CE2-CD1 3.97Å; F406-Y417 AromaticContact CE2-CD2 3.61Å; F406-Y417 HydrophobicContact CE2-CD2 3.61Å; F406-Y417 HydrophobicContact CE2-CE1 4.31Å; F406-Y417 AromaticContact CE2-CE2 3.97Å; F406-Y417 HydrophobicContact CE2-CE2 3.97Å; F406-Y417 AromaticContact CE2-CG 3.61Å; F406-Y417 HydrophobicContact CE2-CG 3.61Å; F406-Y417 HydrophobicContact CZ-CD1 4.31Å; F406-Y417 HydrophobicContact CZ-CG 4.27Å; Y417-D419 HydrophobicContact CE1-CB 3.81Å
418	L	84.4	Confident	72.2	Confident	5 Å²	5	50.3 Å²	50.3	3%	0.026	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	106.3	-178.8	-57.8	169.5	0	0	0	108.2	D340 I341 I360 C363 R364 S382 A383 I416	D340-L418 CarbonylContact O-C 3.52Å; I341-L418 HydrophobicContact CD1-CD2 4.47Å; I341-L418 HydrophobicContact CG1-CD2 4.06Å; I341-L418 HydrophobicContact CG2-CD2 4.36Å; I360-L418 HydrophobicContact CD1-CD2 4.15Å; I360-L418 HydrophobicContact CG1-CD1 4.22Å; I360-L418 HydrophobicContact CG1-CD2 4.21Å; C363-L418 HydrophobicContact CB-CD1 4.43Å; R364-L418 HydrophobicContact CG-CB 4.44Å; R364-L418 HydrophobicContact CG-CD1 3.57Å; R364-L418 HydrophobicContact CG-CD2 3.96Å; R364-L418 HydrophobicContact CG-CG 4.19Å; S382-L418 CarbonylContact C-O 3.57Å; S382-L418 WeakPolarHBondContact CA-O 3.47Å; S382-L418 VanDerWaalsContact CB-O 3.24Å; S382-L418 WeakPolarHBondContact CB-O 3.15Å; A383-L418 HydrophobicContact CB-CB 4.15Å; A383-L418 HydrophobicContact CB-CD1 4.12Å; A383-L418 PolarHBondContact N-O 2.86Å; A383-L418 WeakPolarHBondContact O-CB 3.4Å; A383-L418 PolarHBondContact O-N 2.93Å; I416-L418 HydrophobicContact CG2-CD2 3.9Å; I416-L418 HydrophobicContact CG2-CG 4.43Å
419	D	82.8	Confident	72.8	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.011	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	141.4	174.1	-152	-39.9	0	0	0	109.9	C338 H339 D340 R399 W400 Y417 S421	C338-D419 CarbonylContact O-C 3.49Å; H339-D419 WeakPolarHBondContact CA-O 2.81Å; D340-D419 HydrophobicContact CB-CB 3.72Å; D340-D419 WeakPolarHBondContact O-CB 3.13Å; D340-D419 PolarHBondContact O-N 3.31Å; R399-D419 IonicContact CZ-OD2 3.9Å; R399-D419 IonicContact NE-OD2 3.11Å; R399-D419 IonicContact NH1-OD2 2.64Å; R399-D419 PolarHBondContact NH1-OD2 2.86Å; R399-D419 IonicContact NH2-OD2 2.86Å; W400-D419 PolarHBondContact NE1-OD2 3.11Å; Y417-D419 HydrophobicContact CE1-CB 3.81Å; D419-S421 WeakPolarHBondContact OD1-CB 3.2Å; D419-S421 PolarHBondContact OD1-N 3.29Å; D419-S421 PolarHBondContact OD1-OG 2.03Å
420	A	84.6	Confident	73.9	Confident	2 Å²	2	49.5 Å²	49.5	2%	0.017	27%	0.271	C	S	.	.			trans	-139.7	29.2	174.4	0	0	0	0	0	111.8	C338 C367 F368 R381 C422 R427	C338-A420 VanDerWaalsContact O-CA 3.32Å; C338-A420 WeakPolarHBondContact O-CA 3.26Å; C338-A420 PolarHBondContact O-N 3.29Å; C367-A420 WeakPolarHBondContact SG-CB 3.31Å; F368-A420 HydrophobicContact CD1-CB 4.05Å; F368-A420 HydrophobicContact CE1-CB 3.53Å; F368-A420 HydrophobicContact CZ-CB 4.37Å; R381-A420 CarbonylContact O-C 3.43Å; R381-A420 WeakPolarHBondContact O-CA 3.45Å; R381-A420 WeakPolarHBondContact O-CB 3.35Å; R381-A420 PolarHBondContact O-N 2.86Å; A420-C422 PolarHBondContact O-N 2.94Å; A420-R427 PolarHBondContact O-NH1 3.09Å; A420-R427 VanDerWaalsContact O-NH1 3.1Å
421	S	71	Confident	75.1	Confident	27 Å²	27	46.6 Å²	46.6	19%	0.189	25%	0.252	C	S	.	.			trans	-65.7	16.2	-178.2	51.7	0	0	0	0	115.4	C338 R381 D398 D419	C338-S421 PolarHBondContact O-N 2.8Å; R381-S421 PolarHBondContact O-N 3.28Å; D398-S421 WeakPolarHBondContact OD2-CB 3.44Å; D419-S421 WeakPolarHBondContact OD1-CB 3.2Å; D419-S421 PolarHBondContact OD1-N 3.29Å; D419-S421 PolarHBondContact OD1-OG 2.03Å
422	C	71	Confident	76.3	Confident	4 Å²	4	47.2 Å²	47.2	3%	0.027	25%	0.252	C	S	.	.			trans	-61.4	140.2	177.7	-78.4	0	0	0	0	111.1	C338 H339 A420 R427 L430	C338-C422 HydrophobicContact CB-CB 3.78Å; C338-C422 WeakPolarHBondContact CB-SG 3.4Å; C338-C422 WeakPolarHBondContact SG-CA 3.09Å; C338-C422 WeakPolarHBondContact SG-CB 3.14Å; C338-C422 PolarHBondContact SG-N 3.5Å; C338-C422 CovalentContact SG-SG 1.95Å; C338-C422 PolarHBondContact SG-SG 3.41Å; H339-C422 PolarHBondContact CE1-SG 2.75Å; H339-C422 PolarHBondContact NE2-SG 2.74Å; A420-C422 PolarHBondContact O-N 2.94Å; C422-R427 HydrophobicContact CB-CB 3.58Å; C422-R427 HydrophobicContact CB-CG 3.98Å; C422-L430 VanDerWaalsContact SG-CD1 3.54Å
423	N	68.2	Low	77.7	Confident	115 Å²	115	46 Å²	46	62%	0.615	25%	0.247	S	C	*	.			trans	-115.6	153.3	164	-63	-33.8	0	0	0	111	R381	R381-N423 PolarHBondContact NH1-OD1 3.46Å; R381-N423 VanDerWaalsContact NH1-OD1 3.07Å
424	G	72.8	Confident	78.9	Confident	56 Å²	56	42.3 Å²	42.3	58%	0.577	23%	0.232	S	C	*	.	H	α-helix	trans	57.8	-133	167.2	0	0	0	0	0	115.3	M426 R427 T428	G424-M426 VanDerWaalsContact C-N 3.32Å; G424-M426 PolarHBondContact O-N 2.72Å; G424-R427 WeakPolarHBondContact O-CB 3.47Å; G424-R427 PolarHBondContact O-N 2.66Å; G424-T428 PolarHBondContact O-N 3.16Å; G424-T428 PolarHBondContact O-OG1 3.44Å
425	H	74.9	Confident	79.5	Confident	139 Å²	139	44.3 Å²	44.3	64%	0.644	24%	0.237	S	C	*	.	H	α-helix	trans	-58.6	-38.5	-171.4	-179.4	-102.6	0	0	0	113.7	R427 T428 Q429	H425-R427 PolarHBondContact O-N 2.75Å; H425-T428 PolarHBondContact O-N 2.81Å; H425-Q429 VanDerWaalsContact CE1-CD 3.41Å; H425-Q429 PolarHBondContact CE1-NE2 2.79Å; H425-Q429 WeakPolarHBondContact O-CG 3.41Å; H425-Q429 PolarHBondContact O-N 2.91Å
426	M	76.8	Confident	79.4	Confident	84 Å²	84	47.1 Å²	47.1	41%	0.414	26%	0.26	S	S	.	.	H	α-helix	trans	-59.5	-49.9	178.7	-174.7	175.6	-85	0	0	109.9	C338 G424 T428 Q429 L430	C338-M426 HydrophobicContact CB-SD 3.77Å; G424-M426 VanDerWaalsContact C-N 3.32Å; G424-M426 PolarHBondContact O-N 2.72Å; M426-T428 VanDerWaalsContact C-N 3.31Å; M426-T428 PolarHBondContact O-N 2.76Å; M426-Q429 WeakPolarHBondContact O-CB 3.44Å; M426-Q429 PolarHBondContact O-N 2.92Å; M426-L430 HydrophobicContact CG-CD1 4.26Å; M426-L430 WeakPolarHBondContact O-CD1 3.26Å; M426-L430 PolarHBondContact O-N 3.33Å
427	R	80.1	Confident	78.3	Confident	24 Å²	24	50.8 Å²	50.8	9%	0.091	28%	0.277	C	S	.	.	H	α-helix	trans	-53.9	-47.5	177.3	-161.5	174.7	177.6	104.9	-3.8	111.7	C367 F368 C380 A420 C422 G424 H425 Q429 L430 I431	C367-R427 PolarHBondContact O-NH2 3.3Å; F368-R427 PolarHBondContact O-NE 3.48Å; F368-R427 VanDerWaalsContact O-NE 3.08Å; F368-R427 PolarHBondContact O-NH2 3.09Å; C380-R427 PolarHBondContact O-NH1 2.91Å; C380-R427 PolarHBondContact O-NH2 2.88Å; A420-R427 PolarHBondContact O-NH1 3.09Å; A420-R427 VanDerWaalsContact O-NH1 3.1Å; C422-R427 HydrophobicContact CB-CB 3.58Å; C422-R427 HydrophobicContact CB-CG 3.98Å; G424-R427 WeakPolarHBondContact O-CB 3.47Å; G424-R427 PolarHBondContact O-N 2.66Å; H425-R427 PolarHBondContact O-N 2.75Å; R427-Q429 VanDerWaalsContact C-N 3.32Å; R427-Q429 PolarHBondContact O-N 3.41Å; R427-L430 PolarHBondContact O-N 2.53Å; R427-I431 HydrophobicContact CG-CD1 4.12Å; R427-I431 WeakPolarHBondContact O-CG1 3.44Å; R427-I431 PolarHBondContact O-N 3.1Å
428	T	83.8	Confident	76.7	Confident	72 Å²	72	57.7 Å²	57.7	44%	0.442	31%	0.31	S	S	.	.	H	α-helix	trans	-60	-40	178.3	-52.4	0	0	0	0	112.4	G424 H425 M426 L430 I431 N432	G424-T428 PolarHBondContact O-N 3.16Å; G424-T428 PolarHBondContact O-OG1 3.44Å; H425-T428 PolarHBondContact O-N 2.81Å; M426-T428 VanDerWaalsContact C-N 3.31Å; M426-T428 PolarHBondContact O-N 2.76Å; T428-L430 VanDerWaalsContact C-N 3.29Å; T428-L430 PolarHBondContact O-N 2.77Å; T428-I431 PolarHBondContact O-N 3.4Å; T428-N432 WeakPolarHBondContact O-CB 3.19Å; T428-N432 PolarHBondContact O-N 2.88Å; T428-N432 PolarHBondContact O-ND2 3.43Å
429	Q	82.7	Confident	74.6	Confident	105 Å²	105	67.5 Å²	67.5	49%	0.491	35%	0.346	S	S	.	.	H	α-helix	trans	-61.3	-36.6	176.9	-72.5	-177.9	-33.7	0	0	112.6	H425 M426 R427 R433	H425-Q429 VanDerWaalsContact CE1-CD 3.41Å; H425-Q429 PolarHBondContact CE1-NE2 2.79Å; H425-Q429 WeakPolarHBondContact O-CG 3.41Å; H425-Q429 PolarHBondContact O-N 2.91Å; M426-Q429 WeakPolarHBondContact O-CB 3.44Å; M426-Q429 PolarHBondContact O-N 2.92Å; R427-Q429 VanDerWaalsContact C-N 3.32Å; R427-Q429 PolarHBondContact O-N 3.41Å; Q429-R433 PolarHBondContact O-N 2.86Å
430	L	83	Confident	72.7	Confident	13 Å²	13	70.9 Å²	70.9	7%	0.068	37%	0.367	C	S	.	.	H	α-helix	trans	-81.6	-34.6	-179.8	-49.5	115.1	0	0	0	112.5	T297 H339 F368 C422 M426 R427 T428 N432 R433 C434	T297-L430 HydrophobicContact CG2-CD2 4.44Å; T297-L430 WeakPolarHBondContact O-CD2 3.27Å; H339-L430 VanDerWaalsContact CD2-CD2 3.46Å; H339-L430 WeakPolarHBondContact CD2-CD2 3.26Å; H339-L430 WeakPolarHBondContact CE1-CD1 3.37Å; H339-L430 WeakPolarHBondContact CE1-CD2 3.25Å; H339-L430 WeakPolarHBondContact NE2-CD1 3Å; H339-L430 WeakPolarHBondContact NE2-CD2 3.16Å; H339-L430 WeakPolarHBondContact NE2-CG 2.97Å; F368-L430 HydrophobicContact CD2-CB 4.26Å; F368-L430 HydrophobicContact CG-CB 4.42Å; C422-L430 VanDerWaalsContact SG-CD1 3.54Å; M426-L430 HydrophobicContact CG-CD1 4.26Å; M426-L430 WeakPolarHBondContact O-CD1 3.26Å; M426-L430 PolarHBondContact O-N 3.33Å; R427-L430 PolarHBondContact O-N 2.53Å; T428-L430 VanDerWaalsContact C-N 3.29Å; T428-L430 PolarHBondContact O-N 2.77Å; L430-N432 PolarHBondContact O-N 3.26Å; L430-R433 CarbonylContact O-C 3.41Å; L430-R433 PolarHBondContact O-N 3.32Å; L430-C434 WeakPolarHBondContact O-CB 3.26Å; L430-C434 PolarHBondContact O-N 2.64Å; L430-C434 PolarHBondContact O-SG 3.44Å; L430-C434 VanDerWaalsContact O-SG 3.39Å
431	I	85.3	Confident	70.2	Confident	19 Å²	19	79.3 Å²	79.3	10%	0.097	41%	0.406	C	S	.	.	H	α-helix	trans	-53.5	-49.5	168.3	-68.5	169.2	0	0	0	108.2	F368 R427 T428 R433 C434 H435	F368-I431 HydrophobicContact CB-CG1 3.92Å; F368-I431 WeakPolarHBondContact O-CD1 3.21Å; R427-I431 HydrophobicContact CG-CD1 4.12Å; R427-I431 WeakPolarHBondContact O-CG1 3.44Å; R427-I431 PolarHBondContact O-N 3.1Å; T428-I431 PolarHBondContact O-N 3.4Å; I431-R433 VanDerWaalsContact C-N 3.32Å; I431-R433 PolarHBondContact O-N 3.11Å; I431-C434 WeakPolarHBondContact O-CB 3.46Å; I431-C434 PolarHBondContact O-N 3.38Å; I431-C434 VanDerWaalsContact O-N 3.16Å; I431-H435 VanDerWaalsContact CG2-NE2 3.3Å; I431-H435 WeakPolarHBondContact CG2-NE2 3.23Å; I431-H435 PolarHBondContact O-CD2 3.35Å; I431-H435 PolarHBondContact O-N 3.12Å
432	N	85.5	Confident	68.3	Low	97 Å²	97	84 Å²	84	52%	0.519	43%	0.428	S	S	.	.	H	α-helix	trans	-59.8	-39	175.3	-68.6	-21.8	0	0	0	113.1	T428 L430 H435 A436	T428-N432 WeakPolarHBondContact O-CB 3.19Å; T428-N432 PolarHBondContact O-N 2.88Å; T428-N432 PolarHBondContact O-ND2 3.43Å; L430-N432 PolarHBondContact O-N 3.26Å; N432-H435 PolarHBondContact O-N 3.27Å; N432-A436 WeakPolarHBondContact O-CB 3.46Å; N432-A436 PolarHBondContact O-N 3.08Å
433	R	82.4	Confident	66	Low	70 Å²	70	93.9 Å²	93.9	26%	0.264	46%	0.464	S	S	.	.	H	α-helix	trans	-69.5	-33.7	177.5	-164.5	163.8	175.5	-144.8	-20.2	112.4	R296 L298 Q429 L430 I431 A436	R296-R433 WeakPolarHBondContact O-CD 3.43Å; R296-R433 WeakPolarHBondContact O-CG 3.23Å; R296-R433 PolarHBondContact O-NE 2.96Å; R296-R433 PolarHBondContact O-NH1 3.38Å; R296-R433 PolarHBondContact O-NH2 2.8Å; R296-R433 VanDerWaalsContact O-NH2 3.12Å; L298-R433 PolarHBondContact O-NH1 2.02Å; L298-R433 PolarHBondContact O-NH2 2.78Å; L298-R433 VanDerWaalsContact O-NH2 3.09Å; Q429-R433 PolarHBondContact O-N 2.86Å; L430-R433 CarbonylContact O-C 3.41Å; L430-R433 PolarHBondContact O-N 3.32Å; I431-R433 VanDerWaalsContact C-N 3.32Å; I431-R433 PolarHBondContact O-N 3.11Å; R433-A436 WeakPolarHBondContact O-CB 3.01Å; R433-A436 PolarHBondContact O-N 3.48Å
434	C	84.6	Confident	64.1	Low	18 Å²	18	93.5 Å²	93.5	12%	0.122	47%	0.468	C	S	.	.	H	α-helix	trans	-64.1	-43.3	170.7	-76.7	0	0	0	0	111.4	C365 L430 I431 A436	C365-C434 WeakPolarHBondContact CA-SG 3.29Å; C365-C434 HydrophobicContact CB-CB 3.62Å; C365-C434 WeakPolarHBondContact CB-SG 3.05Å; C365-C434 WeakPolarHBondContact SG-CB 3.41Å; C365-C434 CovalentContact SG-SG 2.04Å; C365-C434 PolarHBondContact SG-SG 2.84Å; L430-C434 WeakPolarHBondContact O-CB 3.26Å; L430-C434 PolarHBondContact O-N 2.64Å; L430-C434 PolarHBondContact O-SG 3.44Å; L430-C434 VanDerWaalsContact O-SG 3.39Å; I431-C434 WeakPolarHBondContact O-CB 3.46Å; I431-C434 PolarHBondContact O-N 3.38Å; I431-C434 VanDerWaalsContact O-N 3.16Å; C434-A436 VanDerWaalsContact C-N 3.32Å; C434-A436 PolarHBondContact O-N 2.8Å
435	H	82.9	Confident	61.9	Low	77 Å²	77	97.1 Å²	97.1	36%	0.356	48%	0.479	S	S	.	.	H	α-helix	trans	-74.8	-18	176.8	-62.9	-61.1	0	0	0	114.4	D369 I431 N432 E437	D369-H435 IonicContact OD1-NE2 3.87Å; D369-H435 IonicContact OD2-CE1 3.9Å; D369-H435 IonicContact OD2-NE2 2.66Å; I431-H435 VanDerWaalsContact CG2-NE2 3.3Å; I431-H435 WeakPolarHBondContact CG2-NE2 3.23Å; I431-H435 PolarHBondContact O-CD2 3.35Å; I431-H435 PolarHBondContact O-N 3.12Å; N432-H435 PolarHBondContact O-N 3.27Å; H435-E437 PolarHBondContact O-N 2.98Å; H435-E437 VanDerWaalsContact O-N 3.09Å
436	A	71.7	Confident	59.5	Low	59 Å²	59	101.9 Å²	101.9	49%	0.488	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.7	-172.2	0	0	0	0	0	114.1	N432 R433 C434	N432-A436 WeakPolarHBondContact O-CB 3.46Å; N432-A436 PolarHBondContact O-N 3.08Å; R433-A436 WeakPolarHBondContact O-CB 3.01Å; R433-A436 PolarHBondContact O-N 3.48Å; C434-A436 VanDerWaalsContact C-N 3.32Å; C434-A436 PolarHBondContact O-N 2.8Å
437	E	52.9	Low	57.2	Low	79 Å²	79	100.9 Å²	100.9	37%	0.369	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.2	5.6	-179.4	-66	-160.3	162.8	0	0	117	R296 H435 R439 V440 Q441	R296-E437 IonicContact CZ-OE2 3.02Å; R296-E437 IonicContact NE-OE2 3.68Å; R296-E437 IonicContact NH2-OE2 3.8Å; H435-E437 PolarHBondContact O-N 2.98Å; H435-E437 VanDerWaalsContact O-N 3.09Å; E437-R439 PolarHBondContact O-N 3.14Å; E437-V440 HydrophobicContact CB-CB 4.21Å; E437-V440 HydrophobicContact CB-CG2 4.26Å; E437-V440 HydrophobicContact CG-CB 4.26Å; E437-V440 HydrophobicContact CG-CG2 3.9Å; E437-V440 PolarHBondContact O-N 2.77Å; E437-V440 VanDerWaalsContact O-N 3.1Å; E437-Q441 PolarHBondContact O-N 3.43Å
438	E	48.7	Very low	54.7	Low	145 Å²	145	106.1 Å²	106.1	68%	0.678	54%	0.539	S	S	*	.	H	α-helix	trans	-63.4	-26.8	159.5	-158.9	171.9	-152.9	0	0	110.2
439	R	41.9	Very low	51.8	Low	210 Å²	210	108.4 Å²	108.4	79%	0.792	56%	0.558	S	S	*	*	H	α-helix	trans	-76.7	-15	172.2	-60.2	-166.9	-168.6	-155.1	3.3	114.9	E437	E437-R439 PolarHBondContact O-N 3.14Å
440	V	41.3	Very low	49.4	Very low	74 Å²	74	110.4 Å²	110.4	45%	0.448	58%	0.577	S	S	.	*	H	α-helix	trans	-90.6	-27.6	-178.9	178.8	0	0	0	0	111.5	E437 I442	E437-V440 HydrophobicContact CB-CB 4.21Å; E437-V440 HydrophobicContact CB-CG2 4.26Å; E437-V440 HydrophobicContact CG-CB 4.26Å; E437-V440 HydrophobicContact CG-CG2 3.9Å; E437-V440 PolarHBondContact O-N 2.77Å; E437-V440 VanDerWaalsContact O-N 3.1Å; V440-I442 PolarHBondContact O-N 2.9Å
441	Q	33.7	Very low	46.6	Very low	179 Å²	179	120.3 Å²	120.3	84%	0.836	61%	0.613	S	S	*	*	H	α-helix	trans	-71.5	-16.6	170.5	-82.5	-171.3	-10.4	0	0	113.6	E437	E437-Q441 PolarHBondContact O-N 3.43Å
442	I	29.6	Very low	44	Very low	125 Å²	125	124.1 Å²	124.1	64%	0.641	64%	0.641	S	S	*	*			trans	-101.7	76.7	164.9	-44.1	177.8	0	0	0	108.1	V440 P444	V440-I442 PolarHBondContact O-N 2.9Å; I442-P444 HydrophobicContact CG2-CG 4.26Å; I442-P444 VanDerWaalsContact O-CD 3.27Å; I442-P444 WeakPolarHBondContact O-CD 3.45Å
443	R	22.6	Very low	41.2	Very low	212 Å²	212	126.5 Å²	126.5	80%	0.8	65%	0.654	S	S	*	*			trans	-88.5	102.3	150.5	-82.3	-171.2	176.8	-164.1	1.1	106.9	V445	R443-V445 PolarHBondContact O-N 2.76Å
444	P	28.3	Very low	39	Very low	106 Å²	106	131.4 Å²	131.4	69%	0.688	69%	0.686	S	S	*	*			trans	-62.5	129.6	162.5	-5.9	22.7	0	0	0	106.5	I442 Y446	I442-P444 HydrophobicContact CG2-CG 4.26Å; I442-P444 VanDerWaalsContact O-CD 3.27Å; I442-P444 WeakPolarHBondContact O-CD 3.45Å; P444-Y446 PolarHBondContact O-N 2.03Å
445	V	26.9	Very low	36.3	Very low	133 Å²	133	141.4 Å²	141.4	81%	0.806	72%	0.721	S	S	*	*			trans	-47.4	126.9	165.7	173.8	0	0	0	0	108.3	R443	R443-V445 PolarHBondContact O-N 2.76Å
446	Y	25.4	Very low	33.6	Very low	238 Å²	238	146.8 Å²	146.8	93%	0.933	74%	0.743	S	S	*	*			trans	-1.1	114.6	170.1	-76.1	-91.6	0	0	0	116.9	P444	P444-Y446 PolarHBondContact O-N 2.03Å
447	G	27	Very low	31.6	Very low	63 Å²	63	150.4 Å²	150.4	65%	0.649	76%	0.759	S	S	*	*			trans	-167.5	89.7	168.1	0	0	0	0	0	112.6
448	T	27.7	Very low	30.5	Very low	135 Å²	135	154.5 Å²	154.5	83%	0.828	78%	0.776	S	S	*	*			trans	60.2	105	152.7	46.1	0	0	0	0	119.9	V450	T448-V450 PolarHBondContact O-N 3.16Å
449	S	24.6	Very low	29.4	Very low	120 Å²	120	156 Å²	156	84%	0.839	79%	0.789	S	S	*	*			trans	4.7	108.8	135.3	-169.4	0	0	0	0	116.5
450	V	30.5	Very low	28.7	Very low	146 Å²	146	153.7 Å²	153.7	89%	0.885	79%	0.789	S	S	*	*			trans	-130.5	139.2	149.6	-177.6	0	0	0	0	108.9	T448	T448-V450 PolarHBondContact O-N 3.16Å
451	R	25.9	Very low	28.1	Very low	221 Å²	221	157.6 Å²	157.6	83%	0.834	81%	0.807	S	S	*	*			trans	-104.9	141.4	-157.3	-171.5	179.3	-175.8	-176.9	0.8	110.3
452	S	29.5	Very low	27.6	Very low	99 Å²	99	155.5 Å²	155.5	69%	0.692	81%	0.806	S	S	*	*			trans	68.4	128	154	75.5	0	0	0	0	122.4
453	N	28.1	Very low	27.3	Very low	148 Å²	148	154.7 Å²	154.7	79%	0.791	81%	0.811	S	S	*	*			trans	51.1	108	137.4	-72.8	-3.2	0	0	0	118.7
454	D	34.6	Very low	27.4	Very low	173 Å²	173	154.6 Å²	154.6	93%	0.925	82%	0.817	S	S	*	*				-150.3	129.2	114.3	-94.3	-34.7	0	0	0	112.1
455	R	28.4	Very low	27	Very low	227 Å²	227	153 Å²	153	86%	0.857	82%	0.82	S	S	*	*			trans	-116.8	137.3	-179.8	-129.4	179.5	-175.3	176.5	1.4	105.1
456	K	26.4	Very low	26.9	Very low	191 Å²	191	155.1 Å²	155.1	83%	0.83	83%	0.825	S	S	*	*			trans	78.5	106.6	167.1	-52.7	173.3	175.5	-176.9	0	114.7
457	T	29	Very low	26.9	Very low	134 Å²	134	148 Å²	148	82%	0.822	82%	0.815	S	S	*	*				179.7	87.2	121.7	-61.3	0	0	0	0	107.6
458	F	31.2	Very low	27.2	Very low	166 Å²	166	151.1 Å²	151.1	73%	0.728	82%	0.824	S	S	*	*			trans	-166.6	33.6	143	-130.9	-100.3	0	0	0	113.3	M460 L461	F458-M460 PolarHBondContact O-N 2.82Å; F458-L461 HydrophobicContact CE1-CD1 3.89Å; F458-L461 HydrophobicContact CE1-CG 4.32Å
459	D	25	Very low	27	Very low	175 Å²	175	149.7 Å²	149.7	94%	0.936	83%	0.826	S	S	*	*			trans	-78.6	77.6	152.5	-83.7	-38.5	0	0	0	107.5
460	M	26.9	Very low	27.2	Very low	162 Å²	162	151.8 Å²	151.8	80%	0.798	83%	0.828	S	S	*	*			trans	-162.7	47.9	163.8	-146.2	177.1	62.4	0	0	114.8	F458	F458-M460 PolarHBondContact O-N 2.82Å
461	L	28.2	Very low	27.3	Very low	156 Å²	156	150 Å²	150	82%	0.817	82%	0.819	S	S	*	*			trans	-138.8	69.6	158.7	-78.3	173.3	0	0	0	110.1	F458	F458-L461 HydrophobicContact CE1-CD1 3.89Å; F458-L461 HydrophobicContact CE1-CG 4.32Å
462	V	23.2	Very low	27.1	Very low	136 Å²	136	143.8 Å²	143.8	82%	0.824	82%	0.815	S	S	*	*			trans	-102.1	120.1	153.2	173.4	0	0	0	0	106.1
463	S	24.1	Very low	26.9	Very low	108 Å²	108	147.7 Å²	147.7	76%	0.755	82%	0.822	S	S	*	*			trans	153.9	144.1	136	-72.3	0	0	0	0	114.8
464	K	24.4	Very low	26.5	Very low	209 Å²	209	147.5 Å²	147.5	91%	0.909	83%	0.826	S	S	*	*			trans	87.7	112.9	175	-66.6	-178.6	173	178.6	0	114.5
465	G	20.7	Very low	26	Very low	74 Å²	74	144.2 Å²	144.2	76%	0.763	82%	0.824	S	S	*	*			cis	103.8	100.9	17.4	0	0	0	0	0	110.3
466	I	25	Very low	25.5	Very low	177 Å²	177	142.1 Å²	142.1	91%	0.908	82%	0.821	S	S	*	*			trans	-139.1	130.5	161.6	-60	-178.5	0	0	0	107.8
467	A	24.6	Very low	25.2	Very low	87 Å²	87	139.2 Å²	139.2	72%	0.719	81%	0.813	S	S	*	*			trans	-116.3	-173.9	-179.2	0	0	0	0	0	109.5
468	P	32.8	Very low	24.8	Very low	130 Å²	130	141.2 Å²	141.2	84%	0.844	81%	0.813	S	S	*	*				-111	174	-115.4	34.7	-16.4	0	0	0	114.7
469	A	24.1	Very low	24.4	Very low	104 Å²	104	139 Å²	139	86%	0.86	82%	0.818	S	S	*	*			trans	-129.9	139.4	165.8	0	0	0	0	0	111.4
470	D	27.7	Very low	24.3	Very low	165 Å²	165	134.6 Å²	134.6	88%	0.882	81%	0.806	S	S	*	*			trans	-82.7	168.8	-168	-115.2	-19.3	0	0	0	114.9
471	P	34.5	Very low	24.3	Very low	107 Å²	107	134.9 Å²	134.9	70%	0.695	81%	0.805	S	S	*	*			trans	-101.7	146.2	-169.4	38.1	-31.7	0	0	0	114.2
472	A	21.6	Very low	24.4	Very low	91 Å²	91	132.8 Å²	132.8	75%	0.752	79%	0.791	S	S	*	*			trans	-168	145.7	148.9	0	0	0	0	0	112.4
473	Q	23.8	Very low	25.2	Very low	182 Å²	182	131 Å²	131	85%	0.85	78%	0.776	S	S	*	*			trans	99	79.9	160.9	-52.5	-170.6	18.9	0	0	118.3
474	T	19.9	Very low	27	Very low	143 Å²	143	127 Å²	127	88%	0.877	75%	0.746	S	S	*	*				14.7	117.9	119	-29.7	0	0	0	0	118.4
475	A	24.1	Very low	29	Very low	105 Å²	105	123.1 Å²	123.1	87%	0.868	73%	0.731	S	S	*	*			trans	-148.9	147.6	148.5	0	0	0	0	0	111
476	K	18.8	Very low	31.8	Very low	183 Å²	183	120.7 Å²	120.7	80%	0.796	70%	0.7	S	S	*	*			trans	-86.9	143.4	-164.8	-91.7	174.1	173.5	179.3	0	113.7
477	I	19.9	Very low	34.4	Very low	129 Å²	129	113.8 Å²	113.8	66%	0.662	67%	0.666	S	S	*	*			trans	77	127.7	131.2	-61.6	169.5	0	0	0	120.6
478	Q	21.2	Very low	37	Very low	176 Å²	176	112.4 Å²	112.4	82%	0.822	65%	0.647	S	S	*	*			trans	105.7	127.5	142.4	-92.3	160.2	33.9	0	0	122.9
479	S	21.4	Very low	39.1	Very low	119 Å²	119	111.3 Å²	111.3	83%	0.832	64%	0.642	S	S	*	*			trans	74.2	135	154.7	52.4	0	0	0	0	122.1
480	A	23.5	Very low	41.9	Very low	84 Å²	84	107.6 Å²	107.6	69%	0.694	61%	0.61	S	S	*	*			trans	-74.4	168.1	173.3	0	0	0	0	0	112.5
481	E	26.7	Very low	44.7	Very low	168 Å²	168	99.9 Å²	99.9	79%	0.785	57%	0.568	S	S	*	*			trans	72.7	107.6	-174.8	-67.2	179.6	141.8	0	0	114.7
482	Q	30.7	Very low	47	Very low	112 Å²	112	95.9 Å²	95.9	52%	0.523	54%	0.541	S	S	.	.			trans	179.3	122.2	131	-97.8	156.7	-0.3	0	0	109.2	N484 E485	Q482-N484 PolarHBondContact O-N 2.73Å; Q482-N484 VanDerWaalsContact O-N 3.12Å; Q482-E485 VanDerWaalsContact OE1-CG 3.27Å
483	I	40	Very low	50	Low	99 Å²	99	92 Å²	92	51%	0.508	51%	0.507	S	S	.	.	S	Bend	trans	-42.3	120.2	137.6	-59.8	171.5	0	0	0	103.8	K348 E485 T487	K348-I483 HydrophobicContact CD-CG1 4.32Å; I483-E485 PolarHBondContact O-N 3.06Å; I483-T487 HydrophobicContact CG2-CG2 3.54Å
484	N	61.2	Low	52.7	Low	22 Å²	22	83.4 Å²	83.4	12%	0.118	47%	0.467	C	S	.	.	S	Bend	trans	-14.2	117.8	-171.3	-76.7	-28.1	0	0	0	111.8	G349 Q482 H486 T487 E493 P495	G349-N484 VanDerWaalsContact C-ND2 3.28Å; G349-N484 WeakPolarHBondContact CA-ND2 3.26Å; G349-N484 WeakPolarHBondContact CA-OD1 3.45Å; G349-N484 PolarHBondContact O-ND2 3.49Å; G349-N484 PolarHBondContact O-OD1 2.77Å; Q482-N484 PolarHBondContact O-N 2.73Å; Q482-N484 VanDerWaalsContact O-N 3.12Å; N484-H486 CarbonylContact O-C 3.58Å; N484-H486 PolarHBondContact O-N 3.3Å; N484-T487 WeakPolarHBondContact O-CB 3.39Å; N484-T487 PolarHBondContact O-N 3.24Å; N484-T487 PolarHBondContact O-OG1 3.23Å; N484-E493 HydrophobicContact CB-CB 3.79Å; N484-E493 HydrophobicContact CB-CG 4.14Å; N484-E493 WeakPolarHBondContact CB-OE2 3.4Å; N484-E493 PolarHBondContact ND2-O 3.03Å; N484-P495 WeakPolarHBondContact ND2-CD 3.46Å; N484-P495 WeakPolarHBondContact ND2-CG 3.47Å
485	E	66.4	Low	55.5	Low	128 Å²	128	78.2 Å²	78.2	60%	0.598	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-33.7	-33	-166.1	179.9	176.9	-168.8	0	0	115.7	Q482 I483	Q482-E485 VanDerWaalsContact OE1-CG 3.27Å; I483-E485 PolarHBondContact O-N 3.06Å
486	H	80.7	Confident	58.1	Low	23 Å²	23	73.3 Å²	73.3	11%	0.106	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	9.2	-174.6	-49	94.1	0	0	0	115.1	N484 E493 V512 K516 W537 F569	N484-H486 CarbonylContact O-C 3.58Å; N484-H486 PolarHBondContact O-N 3.3Å; H486-E493 WeakPolarHBondContact CB-OE2 2.94Å; H486-E493 IonicContact CG-OE2 2.83Å; H486-E493 PolarHBondContact N-OE2 2.86Å; H486-E493 IonicContact ND1-OE2 3.8Å; H486-V512 HydrophobicContact CB-CG2 4.06Å; H486-V512 WeakPolarHBondContact CD2-CG1 3.37Å; H486-K516 WeakPolarHBondContact O-CE 3.1Å; H486-K516 PolarHBondContact O-NZ 3.17Å; H486-W537 AromaticContact CD2-CH2 3.93Å; H486-W537 AromaticContact CE1-CH2 3.08Å; H486-W537 WeakPolarHBondContact CE1-CH2 3.47Å; H486-W537 AromaticContact CE1-CZ2 3.87Å; H486-W537 AromaticContact CE1-CZ3 3.5Å; H486-W537 VanDerWaalsContact CE1-CZ3 3.5Å; H486-W537 WeakPolarHBondContact CE1-CZ3 3.42Å; H486-W537 AromaticContact CG-CH2 3.6Å; H486-W537 AromaticContact ND1-CH2 3.08Å; H486-W537 WeakPolarHBondContact ND1-CH2 3.3Å; H486-W537 AromaticContact ND1-CZ2 3.55Å; H486-W537 AromaticContact ND1-CZ3 3.97Å; H486-W537 AromaticContact NE2-CH2 3.57Å; H486-W537 AromaticContact NE2-CZ3 3.79Å; H486-F569 HydrophobicContact CB-CE1 3.57Å; H486-F569 HydrophobicContact CB-CZ 3.7Å
487	T	78.7	Confident	61.1	Low	32 Å²	32	65.6 Å²	65.6	20%	0.196	36%	0.362	C	S	.	.			trans	-77.4	133.7	169.4	-64.8	0	0	0	0	110	I483 N484 F491 L492 E493	I483-T487 HydrophobicContact CG2-CG2 3.54Å; N484-T487 WeakPolarHBondContact O-CB 3.39Å; N484-T487 PolarHBondContact O-N 3.24Å; N484-T487 PolarHBondContact O-OG1 3.23Å; T487-F491 CarbonylContact C-O 3.59Å; T487-F491 VanDerWaalsContact CA-O 3.27Å; T487-F491 WeakPolarHBondContact CA-O 3.32Å; T487-F491 WeakPolarHBondContact CG2-O 3.43Å; T487-L492 HydrophobicContact CG2-CD1 4.17Å; T487-E493 WeakPolarHBondContact OG1-CB 3.47Å; T487-E493 PolarHBondContact OG1-N 3.46Å
488	D	79.9	Confident	64.1	Low	59 Å²	59	59.8 Å²	59.8	32%	0.316	33%	0.333	S	S	.	.			trans	-139.9	-172.6	177.1	62.6	51	0	0	0	111	C490 F491 K516	D488-C490 PolarHBondContact O-N 3.5Å; D488-C490 VanDerWaalsContact O-N 3.12Å; D488-C490 WeakPolarHBondContact OD1-CA 3.43Å; D488-C490 PolarHBondContact OD1-N 3.43Å; D488-F491 PolarHBondContact N-O 3.38Å; D488-F491 PolarHBondContact O-N 2.92Å; D488-F491 PolarHBondContact OD1-N 2.97Å; D488-K516 WeakPolarHBondContact OD2-CD 3.48Å; D488-K516 VanDerWaalsContact OD2-CE 3.29Å; D488-K516 WeakPolarHBondContact OD2-CE 3.19Å; D488-K516 IonicContact OD2-NZ 3.81Å; D488-K516 PolarHBondContact OD2-NZ 3.4Å
489	S	75.5	Confident	66.9	Low	107 Å²	107	51.5 Å²	51.5	75%	0.748	29%	0.294	S	S	*	.	S	Bend	trans	-59.9	-21.6	-179	53.9	0	0	0	0	114.2	C573	S489-C573 PolarHBondContact O-SG 2.84Å
490	C	84.5	Confident	69.5	Low	26 Å²	26	49.5 Å²	49.5	18%	0.176	27%	0.274	C	S	.	.	S	Bend	trans	-114.3	-18.1	-176.4	-67.2	0	0	0	0	113.9	D488 Y571 L572 C573	D488-C490 PolarHBondContact O-N 3.5Å; D488-C490 VanDerWaalsContact O-N 3.12Å; D488-C490 WeakPolarHBondContact OD1-CA 3.43Å; D488-C490 PolarHBondContact OD1-N 3.43Å; C490-Y571 HydrophobicContact CB-CE2 4.41Å; C490-Y571 CarbonylContact O-C 3.43Å; C490-L572 PolarHBondContact O-N 3.22Å; C490-C573 WeakPolarHBondContact CA-SG 3.28Å; C490-C573 HydrophobicContact CB-CB 3.59Å; C490-C573 WeakPolarHBondContact CB-SG 3.31Å; C490-C573 WeakPolarHBondContact SG-CB 3.19Å; C490-C573 CovalentContact SG-SG 2.03Å; C490-C573 PolarHBondContact SG-SG 3.31Å
491	F	86.6	Confident	71.9	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.009	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	122.4	-177.9	-67.9	-78.4	0	0	0	112.2	T487 D488 K516 C519 L520 F533 F569 E570 Y571	T487-F491 CarbonylContact C-O 3.59Å; T487-F491 VanDerWaalsContact CA-O 3.27Å; T487-F491 WeakPolarHBondContact CA-O 3.32Å; T487-F491 WeakPolarHBondContact CG2-O 3.43Å; D488-F491 PolarHBondContact N-O 3.38Å; D488-F491 PolarHBondContact O-N 2.92Å; D488-F491 PolarHBondContact OD1-N 2.97Å; F491-K516 HydrophobicContact CD2-CB 3.97Å; F491-K516 HydrophobicContact CD2-CD 3.85Å; F491-K516 HydrophobicContact CD2-CG 3.73Å; F491-K516 HydrophobicContact CE2-CB 3.68Å; F491-K516 HydrophobicContact CE2-CD 4.39Å; F491-K516 HydrophobicContact CE2-CG 3.96Å; F491-K516 HydrophobicContact CG-CD 4.34Å; F491-K516 HydrophobicContact CG-CG 4.06Å; F491-K516 HydrophobicContact CZ-CB 4.15Å; F491-K516 HydrophobicContact CZ-CG 4.47Å; F491-C519 HydrophobicContact CE1-CB 4.13Å; F491-C519 HydrophobicContact CZ-CB 4.09Å; F491-L520 HydrophobicContact CE2-CD1 4.2Å; F491-L520 HydrophobicContact CE2-CD2 3.99Å; F491-L520 HydrophobicContact CE2-CG 3.92Å; F491-L520 HydrophobicContact CZ-CD2 3.98Å; F491-L520 HydrophobicContact CZ-CG 3.92Å; F491-F533 HydrophobicContact CD1-CD1 4.25Å; F491-F533 AromaticContact CD1-CE1 3.58Å; F491-F533 HydrophobicContact CD1-CE1 3.58Å; F491-F533 HydrophobicContact CE1-CD1 4.04Å; F491-F533 AromaticContact CE1-CE1 3.63Å; F491-F533 HydrophobicContact CE1-CE1 3.63Å; F491-F533 HydrophobicContact CG-CE1 4.28Å; F491-F533 HydrophobicContact CZ-CE1 4.37Å; F491-F569 HydrophobicContact CB-CD1 4.31Å; F491-E570 VanDerWaalsContact CA-O 3.23Å; F491-E570 WeakPolarHBondContact CA-O 3.43Å; F491-Y571 HydrophobicContact CD1-CD2 4.27Å; F491-Y571 AromaticContact CE1-CD2 3.62Å; F491-Y571 HydrophobicContact CE1-CD2 3.62Å; F491-Y571 HydrophobicContact CE1-CG 4.05Å; F491-Y571 HydrophobicContact CE2-CD2 4.27Å; F491-Y571 AromaticContact CZ-CD2 3.63Å; F491-Y571 HydrophobicContact CZ-CD2 3.63Å; F491-Y571 HydrophobicContact CZ-CE2 4.21Å; F491-Y571 HydrophobicContact CZ-CG 4.38Å
492	L	81.2	Confident	74.5	Confident	23 Å²	23	44 Å²	44	12%	0.12	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	116.4	171.9	175	68	0	0	0	110.4	A351 T487 V494 F569 E570 L572	A351-L492 HydrophobicContact CB-CD1 4.07Å; A351-L492 HydrophobicContact CB-CD2 4.41Å; T487-L492 HydrophobicContact CG2-CD1 4.17Å; L492-V494 HydrophobicContact CG-CG2 4.44Å; L492-F569 VanDerWaalsContact O-CA 3.32Å; L492-F569 WeakPolarHBondContact O-CA 3.39Å; L492-E570 HydrophobicContact CB-CB 4.16Å; L492-E570 PolarHBondContact N-O 3.33Å; L492-E570 PolarHBondContact O-N 2.87Å; L492-L572 HydrophobicContact CB-CD1 4.03Å; L492-L572 HydrophobicContact CB-CG 4.41Å
493	E	84.5	Confident	77.1	Confident	10 Å²	10	41.4 Å²	41.4	5%	0.047	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	132.5	174	-170.5	178.7	175.7	0	0	111.4	N484 H486 T487 P495 S567 Y568 F569	N484-E493 HydrophobicContact CB-CB 3.79Å; N484-E493 HydrophobicContact CB-CG 4.14Å; N484-E493 WeakPolarHBondContact CB-OE2 3.4Å; N484-E493 PolarHBondContact ND2-O 3.03Å; H486-E493 WeakPolarHBondContact CB-OE2 2.94Å; H486-E493 IonicContact CG-OE2 2.83Å; H486-E493 PolarHBondContact N-OE2 2.86Å; H486-E493 IonicContact ND1-OE2 3.8Å; T487-E493 WeakPolarHBondContact OG1-CB 3.47Å; T487-E493 PolarHBondContact OG1-N 3.46Å; E493-P495 HydrophobicContact CG-CG 4.23Å; E493-S567 VanDerWaalsContact OE1-CB 3.23Å; E493-S567 WeakPolarHBondContact OE1-CB 3.25Å; E493-S567 PolarHBondContact OE1-OG 3.35Å; E493-Y568 CarbonylContact C-O 3.53Å; E493-Y568 WeakPolarHBondContact CA-O 3.46Å; E493-F569 HydrophobicContact CB-CD1 3.94Å; E493-F569 HydrophobicContact CB-CE1 3.55Å; E493-F569 HydrophobicContact CB-CZ 4.04Å; E493-F569 HydrophobicContact CG-CD1 4.25Å; E493-F569 HydrophobicContact CG-CE1 3.64Å; E493-F569 HydrophobicContact CG-CE2 4.1Å; E493-F569 HydrophobicContact CG-CZ 3.56Å
494	V	80.4	Confident	79.3	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	94.1	172	-167.9	0	0	0	0	109	A351 L396 L492 Y497 F556 Y568	A351-V494 WeakPolarHBondContact O-CG2 3.3Å; L396-V494 HydrophobicContact CD1-CG1 3.35Å; L492-V494 HydrophobicContact CG-CG2 4.44Å; V494-Y497 HydrophobicContact CG1-CD2 3.85Å; V494-Y497 HydrophobicContact CG1-CG 3.96Å; V494-F556 HydrophobicContact CB-CZ 4.48Å; V494-F556 HydrophobicContact CG1-CZ 4.14Å; V494-Y568 HydrophobicContact CB-CD1 4.13Å; V494-Y568 HydrophobicContact CG2-CD1 3.94Å; V494-Y568 PolarHBondContact N-O 3.19Å; V494-Y568 PolarHBondContact O-N 3.27Å
495	P	79.9	Confident	80.6	Confident	35 Å²	35	41.1 Å²	41.1	23%	0.227	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	138.8	-177	-21.8	32.9	0	0	0	112.2	G349 N484 E493 Y497	G349-P495 WeakPolarHBondContact O-CD 2.96Å; N484-P495 WeakPolarHBondContact ND2-CD 3.46Å; N484-P495 WeakPolarHBondContact ND2-CG 3.47Å; E493-P495 HydrophobicContact CG-CG 4.23Å; P495-Y497 VanDerWaalsContact C-N 3.3Å; P495-Y497 WeakPolarHBondContact O-CD2 3.2Å; P495-Y497 PolarHBondContact O-N 3.11Å
496	G	77.7	Confident	82	Confident	2 Å²	2	38.6 Å²	38.6	2%	0.021	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	8.9	178	0	0	0	0	0	115.5	Q558 V559 P563 I566	G496-Q558 CarbonylContact O-C 3.53Å; G496-Q558 WeakPolarHBondContact O-CA 3.4Å; G496-Q558 WeakPolarHBondContact O-CG 3.45Å; G496-V559 PolarHBondContact O-N 2.75Å; G496-P563 WeakPolarHBondContact CA-O 3.29Å; G496-P563 PolarHBondContact N-O 2.76Å; G496-I566 WeakPolarHBondContact CA-O 3.49Å; G496-I566 PolarHBondContact N-O 2.02Å
497	Y	82.1	Confident	82.4	Confident	21 Å²	21	41.5 Å²	41.5	8%	0.082	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	155.2	177.6	-76.8	-107.2	0	0	0	110.9	L396 V494 P495 F556 S557 Q558 Y568	L396-Y497 HydrophobicContact CB-CE2 4.41Å; L396-Y497 HydrophobicContact CD1-CD1 4.48Å; L396-Y497 HydrophobicContact CD1-CD2 3.88Å; L396-Y497 HydrophobicContact CD1-CE1 4.15Å; L396-Y497 HydrophobicContact CD1-CE2 3.55Å; L396-Y497 HydrophobicContact CD1-CG 4.36Å; L396-Y497 HydrophobicContact CD2-CE1 3.99Å; L396-Y497 HydrophobicContact CD2-CE2 4.47Å; L396-Y497 HydrophobicContact CG-CE2 4.34Å; V494-Y497 HydrophobicContact CG1-CD2 3.85Å; V494-Y497 HydrophobicContact CG1-CG 3.96Å; P495-Y497 VanDerWaalsContact C-N 3.3Å; P495-Y497 WeakPolarHBondContact O-CD2 3.2Å; P495-Y497 PolarHBondContact O-N 3.11Å; Y497-F556 HydrophobicContact CD1-CD1 4.31Å; Y497-F556 AromaticContact CD1-CE1 3.7Å; Y497-F556 HydrophobicContact CD1-CE1 3.7Å; Y497-F556 HydrophobicContact CD1-CE2 4.3Å; Y497-F556 AromaticContact CD1-CZ 3.7Å; Y497-F556 HydrophobicContact CD1-CZ 3.7Å; Y497-F556 HydrophobicContact CE1-CE1 4.35Å; Y497-F556 HydrophobicContact CG-CE1 4.35Å; Y497-F556 HydrophobicContact CG-CE2 4.42Å; Y497-F556 AromaticContact CG-CZ 3.91Å; Y497-F556 HydrophobicContact CG-CZ 3.91Å; Y497-S557 WeakPolarHBondContact CA-O 3.37Å; Y497-S557 VanDerWaalsContact CD1-C 3.48Å; Y497-Q558 HydrophobicContact CD1-CB 4.25Å; Y497-Q558 HydrophobicContact CD2-CG 4.38Å; Y497-Q558 HydrophobicContact CE1-CB 3.78Å; Y497-Q558 HydrophobicContact CE2-CB 4.03Å; Y497-Q558 HydrophobicContact CE2-CG 3.85Å; Y497-Y568 VanDerWaalsContact O-CB 3.32Å; Y497-Y568 WeakPolarHBondContact O-CB 3.46Å; Y497-Y568 PolarHBondContact O-N 2.83Å
498	A	82.3	Confident	83.1	Confident	7 Å²	7	44.6 Å²	44.6	6%	0.058	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	151.1	173.7	0	0	0	0	0	110.5	V534 S557 V559 I566	A498-V534 HydrophobicContact CB-CG1 4.22Å; A498-V534 HydrophobicContact CB-CG2 4.05Å; A498-S557 PolarHBondContact N-O 3.08Å; A498-S557 PolarHBondContact O-N 2.85Å; A498-S557 VanDerWaalsContact O-N 3.11Å; A498-V559 HydrophobicContact CB-CG2 3.86Å; A498-I566 HydrophobicContact CB-CG2 4.48Å
499	L	80	Confident	83.6	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.01	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	94.4	166.2	-166.5	72.6	0	0	0	108.5	N545 F547 R552 H555 F556 Y568	L499-N545 HydrophobicContact CD2-CB 4.37Å; L499-F547 HydrophobicContact CD2-CB 4.1Å; L499-F547 VanDerWaalsContact CD2-O 3.3Å; L499-F547 WeakPolarHBondContact CD2-O 3.37Å; L499-R552 HydrophobicContact CD1-CB 4.14Å; L499-H555 CarbonylContact C-O 3.49Å; L499-H555 WeakPolarHBondContact CA-O 3.42Å; L499-H555 HydrophobicContact CD1-CB 4.22Å; L499-F556 HydrophobicContact CD1-CB 3.88Å; L499-F556 HydrophobicContact CD1-CD2 4.33Å; L499-Y568 HydrophobicContact CB-CD2 4.1Å; L499-Y568 HydrophobicContact CB-CE2 3.78Å
500	I	77.7	Confident	84.5	Confident	77 Å²	77	44.4 Å²	44.4	40%	0.395	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	155.8	-176.5	60.6	164.8	0	0	0	111.3	S502 H555	I500-S502 PolarHBondContact O-N 3.46Å; I500-S502 PolarHBondContact O-OG 3.06Å; I500-H555 HydrophobicContact CG1-CB 3.92Å; I500-H555 VanDerWaalsContact CG1-O 3.22Å; I500-H555 WeakPolarHBondContact CG1-O 3.22Å; I500-H555 PolarHBondContact N-O 3.37Å; I500-H555 WeakPolarHBondContact O-CB 3.17Å
501	N	73.7	Confident	84.9	Confident	131 Å²	131	50.8 Å²	50.8	70%	0.701	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	28.9	175.4	-57.6	-22.2	0	0	0	115	R552	N501-R552 PolarHBondContact O-NH1 2.75Å; N501-R552 VanDerWaalsContact O-NH1 3.12Å
502	S	81.6	Confident	85.3	Confident	6 Å²	6	51.2 Å²	51.2	4%	0.042	27%	0.267	C	S	.	.			trans	-130.6	4.3	-175.4	-55.9	0	0	0	0	113.6	I500 E504 N545 R552	I500-S502 PolarHBondContact O-N 3.46Å; I500-S502 PolarHBondContact O-OG 3.06Å; S502-E504 PolarHBondContact O-N 3.06Å; S502-N545 VanDerWaalsContact C-OD1 3.25Å; S502-N545 WeakPolarHBondContact O-CA 3.32Å; S502-N545 WeakPolarHBondContact O-CB 3.14Å; S502-N545 PolarHBondContact O-OD1 3.44Å; S502-R552 WeakPolarHBondContact OG-CD 3.35Å; S502-R552 PolarHBondContact OG-NH1 3.23Å
503	V	85.1	Confident	85.9	Confident	56 Å²	56	54.2 Å²	54.2	34%	0.339	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	118.9	179.6	-175.4	0	0	0	0	109.8	T506 W543 N545	V503-T506 WeakPolarHBondContact CG1-OG1 3.45Å; V503-W543 HydrophobicContact CB-CB 4.43Å; V503-W543 HydrophobicContact CG1-CB 3.75Å; V503-W543 HydrophobicContact CG1-CD2 4.36Å; V503-W543 HydrophobicContact CG1-CG 3.8Å; V503-W543 HydrophobicContact CG2-CB 3.89Å; V503-W543 HydrophobicContact CG2-CD2 3.81Å; V503-W543 HydrophobicContact CG2-CE3 3.64Å; V503-W543 HydrophobicContact CG2-CG 3.95Å; V503-W543 HydrophobicContact CG2-CZ3 4.41Å; V503-N545 VanDerWaalsContact CA-OD1 3.26Å; V503-N545 WeakPolarHBondContact CA-OD1 3.35Å; V503-N545 PolarHBondContact N-OD1 3.01Å
504	E	85.2	Confident	86.4	Confident	88 Å²	88	56.6 Å²	56.6	41%	0.411	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-42.3	177.4	-169.8	67.3	-165.2	0	0	111.2	S502 F528 L544 K546	S502-E504 PolarHBondContact O-N 3.06Å; E504-F528 HydrophobicContact CB-CE1 4Å; E504-F528 HydrophobicContact CB-CE2 4.19Å; E504-F528 HydrophobicContact CB-CZ 3.73Å; E504-F528 HydrophobicContact CG-CD1 3.73Å; E504-F528 HydrophobicContact CG-CD2 4.44Å; E504-F528 HydrophobicContact CG-CE1 3.41Å; E504-F528 VanDerWaalsContact CG-CE1 3.41Å; E504-F528 HydrophobicContact CG-CE2 4.18Å; E504-F528 HydrophobicContact CG-CG 4.24Å; E504-F528 HydrophobicContact CG-CZ 3.66Å; E504-L544 WeakPolarHBondContact CB-O 3.25Å; E504-L544 PolarHBondContact N-O 3.41Å; E504-K546 HydrophobicContact CB-CG 4.34Å; E504-K546 VanDerWaalsContact CD-CE 3.42Å; E504-K546 HydrophobicContact CG-CD 3.96Å; E504-K546 HydrophobicContact CG-CG 4.05Å; E504-K546 WeakPolarHBondContact OE1-CE 3.36Å; E504-K546 IonicContact OE1-NZ 3.58Å; E504-K546 PolarHBondContact OE1-NZ 3.46Å; E504-K546 WeakPolarHBondContact OE2-CD 3.45Å; E504-K546 IonicContact OE2-NZ 3.72Å
505	V	89.5	Confident	87.2	Confident	27 Å²	27	56.5 Å²	56.5	16%	0.164	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	131.8	179.9	169.1	0	0	0	0	110	K507 H526 F528 W543 L544	V505-K507 HydrophobicContact CG1-CD 4.42Å; V505-K507 HydrophobicContact CG1-CG 4.09Å; V505-H526 HydrophobicContact CG2-CB 4.32Å; V505-F528 HydrophobicContact CB-CE1 4.44Å; V505-F528 HydrophobicContact CB-CZ 4.47Å; V505-F528 HydrophobicContact CG2-CE1 3.63Å; V505-F528 HydrophobicContact CG2-CZ 4.12Å; V505-W543 CarbonylContact O-C 3.48Å; V505-W543 WeakPolarHBondContact O-CA 3.07Å; V505-L544 HydrophobicContact CB-CB 4.24Å; V505-L544 HydrophobicContact CB-CD1 4.26Å; V505-L544 HydrophobicContact CB-CG 4.48Å; V505-L544 HydrophobicContact CG1-CD1 4.28Å; V505-L544 PolarHBondContact N-O 2.99Å; V505-L544 PolarHBondContact O-N 3.38Å
506	T	94.2	Very high	87.9	Confident	75 Å²	75	55.2 Å²	55.2	46%	0.46	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	128.7	172	-62.5	0	0	0	0	110	V503 T508 T541 C542 W543	V503-T506 WeakPolarHBondContact CG1-OG1 3.45Å; T506-T508 HydrophobicContact CG2-CG2 4.48Å; T506-T541 HydrophobicContact CG2-CG2 3.93Å; T506-C542 CarbonylContact C-O 3.5Å; T506-C542 WeakPolarHBondContact CA-O 3.33Å; T506-W543 VanDerWaalsContact OG1-CD1 3.32Å
507	K	89.3	Confident	88.8	Confident	84 Å²	84	58.3 Å²	58.3	37%	0.365	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	135.3	169.5	-62.6	-66.2	-174.7	178.1	0	109.5	V505 V510 L518 T541 C542	V505-K507 HydrophobicContact CG1-CD 4.42Å; V505-K507 HydrophobicContact CG1-CG 4.09Å; K507-V510 HydrophobicContact CB-CG2 3.71Å; K507-L518 HydrophobicContact CB-CD1 4.33Å; K507-L518 HydrophobicContact CG-CD1 3.98Å; K507-T541 CarbonylContact O-C 2.91Å; K507-T541 WeakPolarHBondContact O-CA 3.36Å; K507-C542 HydrophobicContact CB-CB 4.31Å; K507-C542 PolarHBondContact N-O 3.28Å; K507-C542 PolarHBondContact O-N 2.73Å
508	T	93.2	Very high	89.4	Confident	98 Å²	98	59.1 Å²	59.1	60%	0.601	31%	0.31	S	S	*	.	S	Bend	trans	-112.1	156.7	179.7	52.6	0	0	0	0	110.3	T506 V510 N540 T541	T506-T508 HydrophobicContact CG2-CG2 4.48Å; T508-V510 VanDerWaalsContact C-N 3.29Å; T508-V510 WeakPolarHBondContact O-CG2 3.49Å; T508-V510 PolarHBondContact O-N 3.06Å; T508-N540 CarbonylContact C-O 3.42Å; T508-T541 HydrophobicContact CG2-CG2 4.07Å
509	N	92.3	Very high	90	Very high	139 Å²	139	58.9 Å²	58.9	74%	0.743	31%	0.307	S	S	*	.	S	Bend	trans	56.7	41	-176.7	-161.3	35.6	0	0	0	113.4	N540	N509-N540 PolarHBondContact N-O 2.79Å
510	V	92.5	Very high	90.7	Very high	23 Å²	23	62.3 Å²	62.3	14%	0.139	33%	0.325	C	S	.	.			trans	-117.4	134.6	-179.9	180	0	0	0	0	108.3	K507 T508 D514 C515 L518 Y535 N540	K507-V510 HydrophobicContact CB-CG2 3.71Å; T508-V510 VanDerWaalsContact C-N 3.29Å; T508-V510 WeakPolarHBondContact O-CG2 3.49Å; T508-V510 PolarHBondContact O-N 3.06Å; V510-D514 HydrophobicContact CG1-CB 3.53Å; V510-C515 HydrophobicContact CG1-CB 4.35Å; V510-L518 HydrophobicContact CG1-CD1 3.97Å; V510-Y535 VanDerWaalsContact O-CE2 3.25Å; V510-Y535 WeakPolarHBondContact O-CE2 3.39Å; V510-Y535 PolarHBondContact O-OH 3.12Å; V510-N540 PolarHBondContact N-O 2.82Å; V510-N540 WeakPolarHBondContact O-CB 3.05Å
511	R	94.4	Very high	91.3	Very high	160 Å²	160	63.2 Å²	63.2	60%	0.604	33%	0.331	S	S	*	.			trans	-73.8	156.3	175.3	-53.5	176.5	-61.5	162	8.9	110.2	E513 D514 C515	R511-E513 VanDerWaalsContact C-N 3.31Å; R511-E513 PolarHBondContact O-N 2.66Å; R511-D514 WeakPolarHBondContact CB-OD2 3.11Å; R511-D514 WeakPolarHBondContact CG-OD2 3.47Å; R511-D514 IonicContact CZ-OD1 2.67Å; R511-D514 IonicContact CZ-OD2 3.49Å; R511-D514 PolarHBondContact N-OD2 2.82Å; R511-D514 IonicContact NE-OD1 2.61Å; R511-D514 IonicContact NE-OD2 3.48Å; R511-D514 PolarHBondContact NE-OD2 3.35Å; R511-D514 IonicContact NH2-OD1 3.88Å; R511-D514 PolarHBondContact NH2-OD1 2.88Å; R511-D514 IonicContact NH2-OD2 3.51Å; R511-D514 PolarHBondContact NH2-OD2 2.67Å; R511-D514 WeakPolarHBondContact O-CA 3.07Å; R511-D514 WeakPolarHBondContact O-CB 3.28Å; R511-D514 PolarHBondContact O-N 2.94Å; R511-C515 PolarHBondContact O-N 2.97Å
512	V	94.6	Very high	92.2	Very high	11 Å²	11	57 Å²	57	7%	0.067	30%	0.298	C	S	.	.	H	α-helix	trans	-54.4	-42.3	179.3	62.3	0	0	0	0	113.5	H486 D514 C515 K516 Y535 W537 F569	H486-V512 HydrophobicContact CB-CG2 4.06Å; H486-V512 WeakPolarHBondContact CD2-CG1 3.37Å; V512-D514 VanDerWaalsContact C-N 3.33Å; V512-D514 PolarHBondContact O-N 2.89Å; V512-C515 WeakPolarHBondContact O-CA 3.37Å; V512-C515 VanDerWaalsContact O-CB 3.3Å; V512-C515 WeakPolarHBondContact O-CB 3.45Å; V512-C515 PolarHBondContact O-N 3.43Å; V512-C515 VanDerWaalsContact O-N 3.12Å; V512-K516 WeakPolarHBondContact O-CG 3.43Å; V512-K516 PolarHBondContact O-N 2.79Å; V512-Y535 HydrophobicContact CB-CD1 4.41Å; V512-Y535 HydrophobicContact CB-CD2 4.32Å; V512-Y535 HydrophobicContact CB-CE1 4.23Å; V512-Y535 HydrophobicContact CB-CE2 4.12Å; V512-Y535 HydrophobicContact CB-CG 4.45Å; V512-Y535 HydrophobicContact CG2-CG 4.45Å; V512-Y535 PolarHBondContact N-OH 3.31Å; V512-W537 HydrophobicContact CB-CH2 3.93Å; V512-W537 HydrophobicContact CB-CZ3 4.15Å; V512-W537 HydrophobicContact CG1-CH2 4.09Å; V512-W537 HydrophobicContact CG1-CZ3 4.18Å; V512-W537 HydrophobicContact CG2-CH2 3.93Å; V512-F569 HydrophobicContact CG2-CE1 4.21Å; V512-F569 HydrophobicContact CG2-CE2 4.12Å; V512-F569 HydrophobicContact CG2-CZ 3.68Å
513	E	94.5	Very high	92.5	Very high	86 Å²	86	60 Å²	60	40%	0.402	32%	0.319	S	S	.	.	H	α-helix	trans	-65.2	-35.9	176.5	-63.7	-53.5	133.1	0	0	112.9	R511 C515 K516 C517	R511-E513 VanDerWaalsContact C-N 3.31Å; R511-E513 PolarHBondContact O-N 2.66Å; E513-C515 VanDerWaalsContact C-N 3.33Å; E513-K516 PolarHBondContact O-N 3.27Å; E513-K516 IonicContact OE1-NZ 3.55Å; E513-K516 PolarHBondContact OE1-NZ 2.57Å; E513-K516 WeakPolarHBondContact OE2-CD 3.5Å; E513-K516 IonicContact OE2-NZ 3.99Å; E513-K516 PolarHBondContact OE2-NZ 3.37Å; E513-C517 PolarHBondContact O-N 2.03Å; E513-C517 PolarHBondContact O-SG 3.48Å
514	D	95.2	Very high	92.7	Very high	59 Å²	59	61.7 Å²	61.7	32%	0.316	34%	0.339	S	S	.	.	H	α-helix	trans	-70.4	-34.3	174.8	-53.8	-37.5	0	0	0	110.1	V510 R511 V512 C517 L518	V510-D514 HydrophobicContact CG1-CB 3.53Å; R511-D514 WeakPolarHBondContact CB-OD2 3.11Å; R511-D514 WeakPolarHBondContact CG-OD2 3.47Å; R511-D514 IonicContact CZ-OD1 2.67Å; R511-D514 IonicContact CZ-OD2 3.49Å; R511-D514 PolarHBondContact N-OD2 2.82Å; R511-D514 IonicContact NE-OD1 2.61Å; R511-D514 IonicContact NE-OD2 3.48Å; R511-D514 PolarHBondContact NE-OD2 3.35Å; R511-D514 IonicContact NH2-OD1 3.88Å; R511-D514 PolarHBondContact NH2-OD1 2.88Å; R511-D514 IonicContact NH2-OD2 3.51Å; R511-D514 PolarHBondContact NH2-OD2 2.67Å; R511-D514 WeakPolarHBondContact O-CA 3.07Å; R511-D514 WeakPolarHBondContact O-CB 3.28Å; R511-D514 PolarHBondContact O-N 2.94Å; V512-D514 VanDerWaalsContact C-N 3.33Å; V512-D514 PolarHBondContact O-N 2.89Å; D514-C517 PolarHBondContact O-N 3.17Å; D514-L518 VanDerWaalsContact O-CG 3.3Å; D514-L518 WeakPolarHBondContact O-CG 3.29Å; D514-L518 PolarHBondContact O-N 2.86Å
515	C	96.3	Very high	92.9	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-65.4	-42.7	173.7	-174.8	0	0	0	0	112.2	V510 R511 V512 E513 C517 L518 C519 F533 Y535 C542	V510-C515 HydrophobicContact CG1-CB 4.35Å; R511-C515 PolarHBondContact O-N 2.97Å; V512-C515 WeakPolarHBondContact O-CA 3.37Å; V512-C515 VanDerWaalsContact O-CB 3.3Å; V512-C515 WeakPolarHBondContact O-CB 3.45Å; V512-C515 PolarHBondContact O-N 3.43Å; V512-C515 VanDerWaalsContact O-N 3.12Å; E513-C515 VanDerWaalsContact C-N 3.33Å; C515-C517 VanDerWaalsContact C-N 3.34Å; C515-C517 PolarHBondContact O-N 3.06Å; C515-L518 WeakPolarHBondContact O-CB 3.38Å; C515-L518 PolarHBondContact O-N 2.82Å; C515-C519 PolarHBondContact O-N 3.42Å; C515-F533 HydrophobicContact CB-CD2 4.49Å; C515-F533 HydrophobicContact CB-CE2 4.22Å; C515-F533 WeakPolarHBondContact SG-CD2 3.21Å; C515-F533 WeakPolarHBondContact SG-CE2 3.39Å; C515-Y535 HydrophobicContact CB-CD2 4.17Å; C515-Y535 HydrophobicContact CB-CE2 4.42Å; C515-C542 VanDerWaalsContact CA-SG 3.58Å; C515-C542 HydrophobicContact CB-CB 3.65Å; C515-C542 WeakPolarHBondContact CB-SG 3.42Å; C515-C542 WeakPolarHBondContact SG-CB 3.24Å; C515-C542 CovalentContact SG-SG 2.02Å; C515-C542 PolarHBondContact SG-SG 3.44Å
516	K	95.4	Very high	93	Very high	8 Å²	8	62.7 Å²	62.7	4%	0.035	35%	0.347	C	S	.	.	H	α-helix	trans	-56.4	-47.9	170.6	-69.1	175.9	-178.1	175.5	0	111.1	H486 D488 F491 V512 E513 L518 C519 L520 F533	H486-K516 WeakPolarHBondContact O-CE 3.1Å; H486-K516 PolarHBondContact O-NZ 3.17Å; D488-K516 WeakPolarHBondContact OD2-CD 3.48Å; D488-K516 VanDerWaalsContact OD2-CE 3.29Å; D488-K516 WeakPolarHBondContact OD2-CE 3.19Å; D488-K516 IonicContact OD2-NZ 3.81Å; D488-K516 PolarHBondContact OD2-NZ 3.4Å; F491-K516 HydrophobicContact CD2-CB 3.97Å; F491-K516 HydrophobicContact CD2-CD 3.85Å; F491-K516 HydrophobicContact CD2-CG 3.73Å; F491-K516 HydrophobicContact CE2-CB 3.68Å; F491-K516 HydrophobicContact CE2-CD 4.39Å; F491-K516 HydrophobicContact CE2-CG 3.96Å; F491-K516 HydrophobicContact CG-CD 4.34Å; F491-K516 HydrophobicContact CG-CG 4.06Å; F491-K516 HydrophobicContact CZ-CB 4.15Å; F491-K516 HydrophobicContact CZ-CG 4.47Å; V512-K516 WeakPolarHBondContact O-CG 3.43Å; V512-K516 PolarHBondContact O-N 2.79Å; E513-K516 PolarHBondContact O-N 3.27Å; E513-K516 IonicContact OE1-NZ 3.55Å; E513-K516 PolarHBondContact OE1-NZ 2.57Å; E513-K516 WeakPolarHBondContact OE2-CD 3.5Å; E513-K516 IonicContact OE2-NZ 3.99Å; E513-K516 PolarHBondContact OE2-NZ 3.37Å; K516-L518 VanDerWaalsContact C-N 3.33Å; K516-L518 PolarHBondContact O-N 2.92Å; K516-C519 WeakPolarHBondContact O-CB 3.27Å; K516-C519 PolarHBondContact O-N 3.35Å; K516-C519 VanDerWaalsContact O-N 3.13Å; K516-L520 WeakPolarHBondContact O-CG 3.44Å; K516-L520 PolarHBondContact O-N 2.98Å; K516-F533 HydrophobicContact CB-CE1 4.48Å; K516-F533 HydrophobicContact CG-CE1 3.86Å; K516-F533 HydrophobicContact CG-CZ 3.64Å
517	C	95.8	Very high	92.7	Very high	66 Å²	66	62.4 Å²	62.4	45%	0.446	36%	0.359	S	S	.	.	H	α-helix	trans	-61.2	-39.5	176.7	-67.8	0	0	0	0	112.8	E513 D514 C515 C519 L520 N521	E513-C517 PolarHBondContact O-N 2.03Å; E513-C517 PolarHBondContact O-SG 3.48Å; D514-C517 PolarHBondContact O-N 3.17Å; C515-C517 VanDerWaalsContact C-N 3.34Å; C515-C517 PolarHBondContact O-N 3.06Å; C517-C519 VanDerWaalsContact C-N 3.33Å; C517-L520 PolarHBondContact O-N 2.83Å; C517-N521 WeakPolarHBondContact O-CB 3.42Å; C517-N521 PolarHBondContact O-N 3Å
518	L	94.7	Very high	92.9	Very high	39 Å²	39	59.2 Å²	59.2	20%	0.204	35%	0.345	C	S	.	.	H	α-helix	trans	-63.6	-38.3	174.3	-73.3	169.5	0	0	0	112	K507 V510 D514 C515 K516 S522 L544	K507-L518 HydrophobicContact CB-CD1 4.33Å; K507-L518 HydrophobicContact CG-CD1 3.98Å; V510-L518 HydrophobicContact CG1-CD1 3.97Å; D514-L518 VanDerWaalsContact O-CG 3.3Å; D514-L518 WeakPolarHBondContact O-CG 3.29Å; D514-L518 PolarHBondContact O-N 2.86Å; C515-L518 WeakPolarHBondContact O-CB 3.38Å; C515-L518 PolarHBondContact O-N 2.82Å; K516-L518 VanDerWaalsContact C-N 3.33Å; K516-L518 PolarHBondContact O-N 2.92Å; L518-S522 WeakPolarHBondContact O-CA 3.39Å; L518-S522 WeakPolarHBondContact O-CB 3.33Å; L518-S522 PolarHBondContact O-N 2.85Å; L518-L544 HydrophobicContact CB-CD1 4.07Å; L518-L544 HydrophobicContact CB-CD2 4.42Å
519	C	95.4	Very high	92.8	Very high	1 Å²	1	58 Å²	58	1%	0.007	33%	0.333	C	S	.	.	H	α-helix	trans	-65.6	-48	174.2	-171.1	0	0	0	0	110.9	F491 C515 K516 C517 N521 S522 C530 F533 L544	F491-C519 HydrophobicContact CE1-CB 4.13Å; F491-C519 HydrophobicContact CZ-CB 4.09Å; C515-C519 PolarHBondContact O-N 3.42Å; K516-C519 WeakPolarHBondContact O-CB 3.27Å; K516-C519 PolarHBondContact O-N 3.35Å; K516-C519 VanDerWaalsContact O-N 3.13Å; C517-C519 VanDerWaalsContact C-N 3.33Å; C519-N521 VanDerWaalsContact C-N 3.34Å; C519-N521 PolarHBondContact O-N 3.21Å; C519-S522 VanDerWaalsContact O-CB 3.23Å; C519-S522 WeakPolarHBondContact O-CB 3.49Å; C519-S522 PolarHBondContact O-N 2.04Å; C519-S522 PolarHBondContact O-OG 3.21Å; C519-C530 VanDerWaalsContact CA-SG 3.54Å; C519-C530 HydrophobicContact CB-CB 3.9Å; C519-C530 WeakPolarHBondContact CB-SG 3.37Å; C519-C530 WeakPolarHBondContact O-CB 3.5Å; C519-C530 WeakPolarHBondContact SG-CB 3.03Å; C519-C530 CovalentContact SG-SG 2.04Å; C519-C530 PolarHBondContact SG-SG 3.41Å; C519-F533 HydrophobicContact CB-CD1 4Å; C519-L544 HydrophobicContact CB-CD2 3.87Å
520	L	93.4	Very high	92.9	Very high	74 Å²	74	51.5 Å²	51.5	39%	0.387	30%	0.298	S	S	.	.	H	α-helix	trans	-57	-43.6	177.6	-69.4	171.9	0	0	0	112.8	F491 K516 C517 Y571	F491-L520 HydrophobicContact CE2-CD1 4.2Å; F491-L520 HydrophobicContact CE2-CD2 3.99Å; F491-L520 HydrophobicContact CE2-CG 3.92Å; F491-L520 HydrophobicContact CZ-CD2 3.98Å; F491-L520 HydrophobicContact CZ-CG 3.92Å; K516-L520 WeakPolarHBondContact O-CG 3.44Å; K516-L520 PolarHBondContact O-N 2.98Å; C517-L520 PolarHBondContact O-N 2.83Å; L520-Y571 HydrophobicContact CD2-CD2 4.21Å; L520-Y571 HydrophobicContact CD2-CE2 3.36Å
521	N	91.5	Very high	92.8	Very high	96 Å²	96	51.1 Å²	51.1	51%	0.513	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	7	-177.8	-69.7	-33.1	0	0	0	114	C517 C519 S523 A524 V525	C517-N521 WeakPolarHBondContact O-CB 3.42Å; C517-N521 PolarHBondContact O-N 3Å; C519-N521 VanDerWaalsContact C-N 3.34Å; C519-N521 PolarHBondContact O-N 3.21Å; N521-S523 PolarHBondContact O-N 3.46Å; N521-S523 VanDerWaalsContact O-N 3.15Å; N521-A524 PolarHBondContact O-N 3.25Å; N521-V525 HydrophobicContact CB-CG2 3.99Å; N521-V525 WeakPolarHBondContact O-CG2 3.33Å; N521-V525 PolarHBondContact O-N 3.08Å
522	S	92.3	Very high	92.8	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.014	27%	0.266	C	S	.	.	H	α-helix	trans	-54.7	-35.9	-174.4	53.4	0	0	0	0	113.4	L518 C519 A524 V525 H526 G527 F528 C530	L518-S522 WeakPolarHBondContact O-CA 3.39Å; L518-S522 WeakPolarHBondContact O-CB 3.33Å; L518-S522 PolarHBondContact O-N 2.85Å; C519-S522 VanDerWaalsContact O-CB 3.23Å; C519-S522 WeakPolarHBondContact O-CB 3.49Å; C519-S522 PolarHBondContact O-N 2.04Å; C519-S522 PolarHBondContact O-OG 3.21Å; S522-A524 VanDerWaalsContact C-N 3.31Å; S522-A524 PolarHBondContact O-N 3.47Å; S522-V525 PolarHBondContact O-N 3.45Å; S522-H526 CarbonylContact O-C 3.5Å; S522-H526 VanDerWaalsContact O-CA 3.3Å; S522-H526 WeakPolarHBondContact O-CA 3.4Å; S522-H526 WeakPolarHBondContact O-CB 3.32Å; S522-H526 PolarHBondContact O-N 2.81Å; S522-G527 PolarHBondContact O-N 3.49Å; S522-G527 VanDerWaalsContact O-N 3.15Å; S522-F528 CarbonylContact C-O 3.59Å; S522-F528 WeakPolarHBondContact CB-O 3.19Å; S522-F528 VanDerWaalsContact O-O 3.13Å; S522-F528 PolarHBondContact OG-O 2.86Å; S522-F528 VanDerWaalsContact OG-O 3.04Å; S522-C530 WeakPolarHBondContact OG-CB 2.95Å; S522-C530 PolarHBondContact OG-N 2.85Å
523	S	88.8	Confident	92.9	Very high	68 Å²	68	43 Å²	43	48%	0.476	26%	0.263	S	S	.	.	H	α-helix	trans	-61.3	-41.3	178	-60.2	0	0	0	0	111.8	N521 G527 F528	N521-S523 PolarHBondContact O-N 3.46Å; N521-S523 VanDerWaalsContact O-N 3.15Å; S523-G527 WeakPolarHBondContact O-CA 3.33Å; S523-G527 PolarHBondContact O-N 2.82Å; S523-F528 VanDerWaalsContact CA-O 3.25Å; S523-F528 WeakPolarHBondContact CA-O 3.48Å; S523-F528 PolarHBondContact N-O 3.03Å
524	A	88.3	Confident	92.8	Very high	92 Å²	92	38.9 Å²	38.9	76%	0.76	24%	0.244	S	C	*	.	H	α-helix	trans	-79.9	-38	179.2	0	0	0	0	0	112.5	N521 S522	N521-A524 PolarHBondContact O-N 3.25Å; S522-A524 VanDerWaalsContact C-N 3.31Å; S522-A524 PolarHBondContact O-N 3.47Å
525	V	89.8	Confident	92.7	Very high	86 Å²	86	36.3 Å²	36.3	52%	0.521	23%	0.23	S	C	.	.	H	α-helix	trans	-89.8	-33.4	-171.6	-178.7	0	0	0	0	112.7	N521 S522	N521-V525 HydrophobicContact CB-CG2 3.99Å; N521-V525 WeakPolarHBondContact O-CG2 3.33Å; N521-V525 PolarHBondContact O-N 3.08Å; S522-V525 PolarHBondContact O-N 3.45Å
526	H	90.5	Very high	92.3	Very high	50 Å²	50	37.3 Å²	37.3	23%	0.231	24%	0.235	C	C	.	.	H	α-helix	trans	-123.4	-3.1	-171.8	-60.7	-48.2	0	0	0	114	V505 S522 F528	V505-H526 HydrophobicContact CG2-CB 4.32Å; S522-H526 CarbonylContact O-C 3.5Å; S522-H526 VanDerWaalsContact O-CA 3.3Å; S522-H526 WeakPolarHBondContact O-CA 3.4Å; S522-H526 WeakPolarHBondContact O-CB 3.32Å; S522-H526 PolarHBondContact O-N 2.81Å; H526-F528 VanDerWaalsContact C-N 3.28Å; H526-F528 HydrophobicContact CB-CD1 3.64Å; H526-F528 HydrophobicContact CB-CE1 3.42Å; H526-F528 VanDerWaalsContact CB-CE1 3.42Å; H526-F528 HydrophobicContact CB-CZ 4.36Å; H526-F528 PolarHBondContact O-N 2.73Å
527	G	89.4	Confident	92	Very high	68 Å²	68	40.1 Å²	40.1	70%	0.701	25%	0.245	S	C	*	.	S	Bend	trans	71.9	20.6	177.9	0	0	0	0	0	113.9	S522 S523	S522-G527 PolarHBondContact O-N 3.49Å; S522-G527 VanDerWaalsContact O-N 3.15Å; S523-G527 WeakPolarHBondContact O-CA 3.33Å; S523-G527 PolarHBondContact O-N 2.82Å
528	F	91.9	Very high	91.5	Very high	17 Å²	17	41.6 Å²	41.6	8%	0.075	25%	0.249	C	C	.	.	S	Bend	trans	-148.1	154.5	172.9	73.6	-93	0	0	0	111.9	E504 V505 S522 S523 H526 C530 L544 K546	E504-F528 HydrophobicContact CB-CE1 4Å; E504-F528 HydrophobicContact CB-CE2 4.19Å; E504-F528 HydrophobicContact CB-CZ 3.73Å; E504-F528 HydrophobicContact CG-CD1 3.73Å; E504-F528 HydrophobicContact CG-CD2 4.44Å; E504-F528 HydrophobicContact CG-CE1 3.41Å; E504-F528 VanDerWaalsContact CG-CE1 3.41Å; E504-F528 HydrophobicContact CG-CE2 4.18Å; E504-F528 HydrophobicContact CG-CG 4.24Å; E504-F528 HydrophobicContact CG-CZ 3.66Å; V505-F528 HydrophobicContact CB-CE1 4.44Å; V505-F528 HydrophobicContact CB-CZ 4.47Å; V505-F528 HydrophobicContact CG2-CE1 3.63Å; V505-F528 HydrophobicContact CG2-CZ 4.12Å; S522-F528 CarbonylContact C-O 3.59Å; S522-F528 WeakPolarHBondContact CB-O 3.19Å; S522-F528 VanDerWaalsContact O-O 3.13Å; S522-F528 PolarHBondContact OG-O 2.86Å; S522-F528 VanDerWaalsContact OG-O 3.04Å; S523-F528 VanDerWaalsContact CA-O 3.25Å; S523-F528 WeakPolarHBondContact CA-O 3.48Å; S523-F528 PolarHBondContact N-O 3.03Å; H526-F528 VanDerWaalsContact C-N 3.28Å; H526-F528 HydrophobicContact CB-CD1 3.64Å; H526-F528 HydrophobicContact CB-CE1 3.42Å; H526-F528 VanDerWaalsContact CB-CE1 3.42Å; H526-F528 HydrophobicContact CB-CZ 4.36Å; H526-F528 PolarHBondContact O-N 2.73Å; F528-C530 HydrophobicContact CE2-CB 4.03Å; F528-C530 PolarHBondContact O-N 3.2Å; F528-L544 HydrophobicContact CE2-CB 4.48Å; F528-L544 HydrophobicContact CZ-CB 3.97Å; F528-L544 HydrophobicContact CZ-CD1 4.49Å; F528-K546 HydrophobicContact CB-CD 4.04Å; F528-K546 HydrophobicContact CB-CG 3.86Å; F528-K546 HydrophobicContact CD1-CG 4.49Å; F528-K546 HydrophobicContact CD2-CB 4.3Å; F528-K546 HydrophobicContact CD2-CD 4.2Å; F528-K546 HydrophobicContact CD2-CG 3.2Å; F528-K546 HydrophobicContact CE2-CG 3.81Å; F528-K546 HydrophobicContact CG-CD 4.12Å; F528-K546 HydrophobicContact CG-CG 3.61Å
529	Q	91.4	Very high	91.1	Very high	74 Å²	74	43 Å²	43	35%	0.346	26%	0.259	S	S	.	.			trans	-83.6	114.6	173.9	-175.7	168.9	39.6	0	0	111.2	L531 N574	Q529-L531 HydrophobicContact CG-CD2 4.13Å; Q529-N574 VanDerWaalsContact NE2-CG 3.32Å; Q529-N574 PolarHBondContact NE2-ND2 2.92Å; Q529-N574 PolarHBondContact NE2-OD1 3.35Å
530	C	94.7	Very high	90.9	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.007	28%	0.275	C	S	.	.			trans	-70.8	131.3	172.2	178.2	0	0	0	0	110.2	C519 S522 F528 S532 N545 Y571	C519-C530 VanDerWaalsContact CA-SG 3.54Å; C519-C530 HydrophobicContact CB-CB 3.9Å; C519-C530 WeakPolarHBondContact CB-SG 3.37Å; C519-C530 WeakPolarHBondContact O-CB 3.5Å; C519-C530 WeakPolarHBondContact SG-CB 3.03Å; C519-C530 CovalentContact SG-SG 2.04Å; C519-C530 PolarHBondContact SG-SG 3.41Å; S522-C530 WeakPolarHBondContact OG-CB 2.95Å; S522-C530 PolarHBondContact OG-N 2.85Å; F528-C530 HydrophobicContact CE2-CB 4.03Å; F528-C530 PolarHBondContact O-N 3.2Å; C530-S532 PolarHBondContact SG-O 2.99Å; C530-N545 WeakPolarHBondContact CA-O 3.48Å; C530-Y571 VanDerWaalsContact O-CD1 3.3Å; C530-Y571 WeakPolarHBondContact O-CD1 3.26Å
531	L	91	Very high	90.7	Very high	15 Å²	15	42.9 Å²	42.9	8%	0.079	26%	0.259	C	S	.	.			trans	-115.3	-17.5	177	-61.7	-175.5	0	0	0	112.7	Q529 N545 K546 N548 Y571 N574	Q529-L531 HydrophobicContact CG-CD2 4.13Å; L531-N545 PolarHBondContact N-O 3.4Å; L531-K546 VanDerWaalsContact CD1-O 3.26Å; L531-K546 WeakPolarHBondContact CD1-O 3.34Å; L531-K546 WeakPolarHBondContact CG-O 3.49Å; L531-N548 HydrophobicContact CB-CB 4.14Å; L531-Y571 VanDerWaalsContact O-CB 3.31Å; L531-Y571 WeakPolarHBondContact O-CB 3.31Å; L531-Y571 PolarHBondContact O-N 2.79Å; L531-N574 WeakPolarHBondContact CD2-ND2 3.29Å
532	S	94.3	Very high	90.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	166.6	171	70.4	0	0	0	0	110.3	C530 N545 F547 Y568 F569	C530-S532 PolarHBondContact SG-O 2.99Å; S532-N545 PolarHBondContact N-O 2.92Å; S532-N545 WeakPolarHBondContact O-CA 2.97Å; S532-N545 WeakPolarHBondContact O-CB 3.31Å; S532-N545 PolarHBondContact O-N 2.79Å; S532-N545 WeakPolarHBondContact OG-CB 3.43Å; S532-N545 PolarHBondContact OG-ND2 2.84Å; S532-N545 VanDerWaalsContact OG-ND2 3.09Å; S532-F547 PolarHBondContact OG-O 3.07Å; S532-Y568 VanDerWaalsContact CB-CE2 3.41Å; S532-Y568 VanDerWaalsContact CB-CZ 3.48Å; S532-Y568 WeakPolarHBondContact CB-OH 3.16Å; S532-Y568 WeakPolarHBondContact OG-CE2 3.28Å; S532-F569 CarbonylContact C-O 3.6Å; S532-F569 WeakPolarHBondContact CA-O 3.47Å; S532-F569 WeakPolarHBondContact CB-O 3.39Å
533	F	96	Very high	91.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	158.9	166.3	66.9	-94.7	0	0	0	111.8	F491 C515 K516 C519 W543 L544 F569	F491-F533 HydrophobicContact CD1-CD1 4.25Å; F491-F533 AromaticContact CD1-CE1 3.58Å; F491-F533 HydrophobicContact CD1-CE1 3.58Å; F491-F533 HydrophobicContact CE1-CD1 4.04Å; F491-F533 AromaticContact CE1-CE1 3.63Å; F491-F533 HydrophobicContact CE1-CE1 3.63Å; F491-F533 HydrophobicContact CG-CE1 4.28Å; F491-F533 HydrophobicContact CZ-CE1 4.37Å; C515-F533 HydrophobicContact CB-CD2 4.49Å; C515-F533 HydrophobicContact CB-CE2 4.22Å; C515-F533 WeakPolarHBondContact SG-CD2 3.21Å; C515-F533 WeakPolarHBondContact SG-CE2 3.39Å; K516-F533 HydrophobicContact CB-CE1 4.48Å; K516-F533 HydrophobicContact CG-CE1 3.86Å; K516-F533 HydrophobicContact CG-CZ 3.64Å; C519-F533 HydrophobicContact CB-CD1 4Å; F533-W543 CarbonylContact C-O 3.53Å; F533-W543 WeakPolarHBondContact CA-O 3.45Å; F533-W543 WeakPolarHBondContact CB-O 3.32Å; F533-L544 HydrophobicContact CB-CD2 3.85Å; F533-L544 HydrophobicContact CG-CD2 4.5Å; F533-F569 HydrophobicContact CD1-CB 3.72Å; F533-F569 HydrophobicContact CD2-CB 3.85Å; F533-F569 AromaticContact CD2-CD2 3.72Å; F533-F569 HydrophobicContact CD2-CD2 3.72Å; F533-F569 HydrophobicContact CD2-CG 4.04Å; F533-F569 HydrophobicContact CE1-CB 3.39Å; F533-F569 HydrophobicContact CE1-CD1 4.42Å; F533-F569 HydrophobicContact CE1-CD2 4.49Å; F533-F569 AromaticContact CE1-CG 3.89Å; F533-F569 HydrophobicContact CE1-CG 3.89Å; F533-F569 HydrophobicContact CE2-CB 3.56Å; F533-F569 HydrophobicContact CE2-CD1 4.15Å; F533-F569 AromaticContact CE2-CD2 3.11Å; F533-F569 HydrophobicContact CE2-CD2 3.11Å; F533-F569 AromaticContact CE2-CE2 3.76Å; F533-F569 HydrophobicContact CE2-CE2 3.76Å; F533-F569 AromaticContact CE2-CG 3.34Å; F533-F569 HydrophobicContact CE2-CG 3.34Å; F533-F569 HydrophobicContact CE2-CZ 4.49Å; F533-F569 HydrophobicContact CG-CB 3.94Å; F533-F569 HydrophobicContact CZ-CB 3.31Å; F533-F569 AromaticContact CZ-CD1 3.72Å; F533-F569 HydrophobicContact CZ-CD1 3.72Å; F533-F569 AromaticContact CZ-CD2 3.57Å; F533-F569 HydrophobicContact CZ-CD2 3.57Å; F533-F569 HydrophobicContact CZ-CE1 4.39Å; F533-F569 HydrophobicContact CZ-CE2 4.26Å; F533-F569 AromaticContact CZ-CG 3.24Å; F533-F569 HydrophobicContact CZ-CG 3.24Å; F533-F569 PolarHBondContact N-O 2.76Å; F533-F569 PolarHBondContact O-N 2.78Å
534	V	92.3	Very high	91.4	Very high	1 Å²	1	39 Å²	39	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	130.3	169.4	177	0	0	0	0	108	A498 W543 I566 S567 Y568	A498-V534 HydrophobicContact CB-CG1 4.22Å; A498-V534 HydrophobicContact CB-CG2 4.05Å; V534-W543 HydrophobicContact CB-CB 4.17Å; V534-W543 HydrophobicContact CB-CE3 4.17Å; V534-W543 HydrophobicContact CG1-CE3 4.16Å; V534-W543 PolarHBondContact N-O 3.05Å; V534-W543 PolarHBondContact O-N 3.41Å; V534-I566 HydrophobicContact CG1-CG2 3.42Å; V534-I566 VanDerWaalsContact CG1-CG2 3.42Å; V534-S567 CarbonylContact C-O 3.55Å; V534-S567 WeakPolarHBondContact CA-O 3.16Å; V534-Y568 HydrophobicContact CG2-CD2 4.12Å
535	Y	93.2	Very high	91.6	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.016	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.5	176.8	-166.7	-97.7	0	0	0	110.3	V510 V512 C515 W537 N540 T541 C542 I566 S567	V510-Y535 VanDerWaalsContact O-CE2 3.25Å; V510-Y535 WeakPolarHBondContact O-CE2 3.39Å; V510-Y535 PolarHBondContact O-OH 3.12Å; V512-Y535 HydrophobicContact CB-CD1 4.41Å; V512-Y535 HydrophobicContact CB-CD2 4.32Å; V512-Y535 HydrophobicContact CB-CE1 4.23Å; V512-Y535 HydrophobicContact CB-CE2 4.12Å; V512-Y535 HydrophobicContact CB-CG 4.45Å; V512-Y535 HydrophobicContact CG2-CG 4.45Å; V512-Y535 PolarHBondContact N-OH 3.31Å; C515-Y535 HydrophobicContact CB-CD2 4.17Å; C515-Y535 HydrophobicContact CB-CE2 4.42Å; Y535-W537 AromaticContact CD1-CD2 3.63Å; Y535-W537 HydrophobicContact CD1-CD2 3.63Å; Y535-W537 AromaticContact CD1-CE2 3.8Å; Y535-W537 AromaticContact CD1-CE3 3.71Å; Y535-W537 HydrophobicContact CD1-CE3 3.71Å; Y535-W537 HydrophobicContact CD1-CG 4.16Å; Y535-W537 AromaticContact CD1-CH2 3.9Å; Y535-W537 HydrophobicContact CD1-CH2 3.9Å; Y535-W537 AromaticContact CD1-CZ2 3.95Å; Y535-W537 HydrophobicContact CD1-CZ2 3.95Å; Y535-W537 AromaticContact CD1-CZ3 3.84Å; Y535-W537 HydrophobicContact CD1-CZ3 3.84Å; Y535-W537 AromaticContact CE1-CD2 3.74Å; Y535-W537 HydrophobicContact CE1-CD2 3.74Å; Y535-W537 AromaticContact CE1-CE3 3.36Å; Y535-W537 HydrophobicContact CE1-CE3 3.36Å; Y535-W537 HydrophobicContact CE1-CG 4.35Å; Y535-W537 HydrophobicContact CE1-CH2 4.06Å; Y535-W537 HydrophobicContact CE1-CZ2 4.49Å; Y535-W537 AromaticContact CE1-CZ3 3.54Å; Y535-W537 HydrophobicContact CE1-CZ3 3.54Å; Y535-N540 PolarHBondContact OH-OD1 2.79Å; Y535-T541 CarbonylContact C-O 3.47Å; Y535-T541 WeakPolarHBondContact CA-O 3.37Å; Y535-C542 HydrophobicContact CD2-CB 4.48Å; Y535-I566 CarbonylContact O-C 3.59Å; Y535-I566 WeakPolarHBondContact O-CA 3.4Å; Y535-S567 PolarHBondContact N-O 3.31Å; Y535-S567 PolarHBondContact O-N 2.78Å
536	I	87.5	Confident	91.6	Very high	21 Å²	21	34.1 Å²	34.1	11%	0.108	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	110.2	177.1	-55.9	176.5	0	0	0	107.8	N538 T539 N540 T541 W543 R565 I566	I536-N538 WeakPolarHBondContact CG2-OD1 2.97Å; I536-T539 WeakPolarHBondContact CG2-OG1 3.39Å; I536-N540 WeakPolarHBondContact O-CA 3.42Å; I536-N540 PolarHBondContact O-N 3.28Å; I536-T541 PolarHBondContact N-O 3.46Å; I536-T541 PolarHBondContact O-N 2.71Å; I536-T541 VanDerWaalsContact O-N 3.09Å; I536-W543 HydrophobicContact CD1-CD2 4.34Å; I536-W543 HydrophobicContact CD1-CE3 4.44Å; I536-W543 HydrophobicContact CD1-CH2 3.74Å; I536-W543 HydrophobicContact CD1-CZ2 3.59Å; I536-W543 HydrophobicContact CD1-CZ3 4.17Å; I536-R565 CarbonylContact C-O 3.52Å; I536-R565 WeakPolarHBondContact CA-O 3.48Å; I536-I566 HydrophobicContact CG1-CD1 4.3Å; I536-I566 HydrophobicContact CG1-CG1 4.21Å; I536-I566 HydrophobicContact CG2-CG1 4.48Å
537	W	89.1	Confident	91.5	Very high	67 Å²	67	34.7 Å²	34.7	25%	0.254	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-45.8	-167.6	-68	106	0	0	0	113.5	H486 V512 Y535 T539 N540 R565 S567 F569	H486-W537 AromaticContact CD2-CH2 3.93Å; H486-W537 AromaticContact CE1-CH2 3.08Å; H486-W537 WeakPolarHBondContact CE1-CH2 3.47Å; H486-W537 AromaticContact CE1-CZ2 3.87Å; H486-W537 AromaticContact CE1-CZ3 3.5Å; H486-W537 VanDerWaalsContact CE1-CZ3 3.5Å; H486-W537 WeakPolarHBondContact CE1-CZ3 3.42Å; H486-W537 AromaticContact CG-CH2 3.6Å; H486-W537 AromaticContact ND1-CH2 3.08Å; H486-W537 WeakPolarHBondContact ND1-CH2 3.3Å; H486-W537 AromaticContact ND1-CZ2 3.55Å; H486-W537 AromaticContact ND1-CZ3 3.97Å; H486-W537 AromaticContact NE2-CH2 3.57Å; H486-W537 AromaticContact NE2-CZ3 3.79Å; V512-W537 HydrophobicContact CB-CH2 3.93Å; V512-W537 HydrophobicContact CB-CZ3 4.15Å; V512-W537 HydrophobicContact CG1-CH2 4.09Å; V512-W537 HydrophobicContact CG1-CZ3 4.18Å; V512-W537 HydrophobicContact CG2-CH2 3.93Å; Y535-W537 AromaticContact CD1-CD2 3.63Å; Y535-W537 HydrophobicContact CD1-CD2 3.63Å; Y535-W537 AromaticContact CD1-CE2 3.8Å; Y535-W537 AromaticContact CD1-CE3 3.71Å; Y535-W537 HydrophobicContact CD1-CE3 3.71Å; Y535-W537 HydrophobicContact CD1-CG 4.16Å; Y535-W537 AromaticContact CD1-CH2 3.9Å; Y535-W537 HydrophobicContact CD1-CH2 3.9Å; Y535-W537 AromaticContact CD1-CZ2 3.95Å; Y535-W537 HydrophobicContact CD1-CZ2 3.95Å; Y535-W537 AromaticContact CD1-CZ3 3.84Å; Y535-W537 HydrophobicContact CD1-CZ3 3.84Å; Y535-W537 AromaticContact CE1-CD2 3.74Å; Y535-W537 HydrophobicContact CE1-CD2 3.74Å; Y535-W537 AromaticContact CE1-CE3 3.36Å; Y535-W537 HydrophobicContact CE1-CE3 3.36Å; Y535-W537 HydrophobicContact CE1-CG 4.35Å; Y535-W537 HydrophobicContact CE1-CH2 4.06Å; Y535-W537 HydrophobicContact CE1-CZ2 4.49Å; Y535-W537 AromaticContact CE1-CZ3 3.54Å; Y535-W537 HydrophobicContact CE1-CZ3 3.54Å; W537-T539 VanDerWaalsContact C-N 3.3Å; W537-T539 PolarHBondContact O-N 2.98Å; W537-N540 PolarHBondContact O-N 2.81Å; W537-N540 PolarHBondContact O-OD1 2.81Å; W537-R565 PolarHBondContact N-O 2.93Å; W537-S567 PolarHBondContact NE1-OG 2.88Å; W537-F569 HydrophobicContact CZ2-CE2 4.4Å; W537-F569 HydrophobicContact CZ2-CZ 4.16Å
538	N	85.8	Confident	91.3	Very high	97 Å²	97	32.1 Å²	32.1	52%	0.519	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-24.9	-174	63.4	-39.8	0	0	0	113.7	I536	I536-N538 WeakPolarHBondContact CG2-OD1 2.97Å
539	T	86.5	Confident	90.6	Very high	70 Å²	70	32.2 Å²	32.2	43%	0.429	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	2.6	179.4	59	0	0	0	0	112.8	I536 W537 T541	I536-T539 WeakPolarHBondContact CG2-OG1 3.39Å; W537-T539 VanDerWaalsContact C-N 3.3Å; W537-T539 PolarHBondContact O-N 2.98Å; T539-T541 WeakPolarHBondContact CB-OG1 3.04Å; T539-T541 PolarHBondContact O-N 3.37Å; T539-T541 PolarHBondContact O-OG1 3.1Å; T539-T541 WeakPolarHBondContact OG1-CB 3.38Å; T539-T541 PolarHBondContact OG1-OG1 3.34Å
540	N	91.9	Very high	89.8	Confident	61 Å²	61	31.8 Å²	31.8	33%	0.326	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.5	48.6	-172.7	-68.8	-28.1	0	0	0	111.4	T508 N509 V510 Y535 I536 W537	T508-N540 CarbonylContact C-O 3.42Å; N509-N540 PolarHBondContact N-O 2.79Å; V510-N540 PolarHBondContact N-O 2.82Å; V510-N540 WeakPolarHBondContact O-CB 3.05Å; Y535-N540 PolarHBondContact OH-OD1 2.79Å; I536-N540 WeakPolarHBondContact O-CA 3.42Å; I536-N540 PolarHBondContact O-N 3.28Å; W537-N540 PolarHBondContact O-N 2.81Å; W537-N540 PolarHBondContact O-OD1 2.81Å
541	T	89.3	Confident	89.1	Confident	11 Å²	11	36.9 Å²	36.9	7%	0.067	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	125.9	-174.6	-58.2	0	0	0	0	110.5	T506 K507 T508 Y535 I536 T539	T506-T541 HydrophobicContact CG2-CG2 3.93Å; K507-T541 CarbonylContact O-C 2.91Å; K507-T541 WeakPolarHBondContact O-CA 3.36Å; T508-T541 HydrophobicContact CG2-CG2 4.07Å; Y535-T541 CarbonylContact C-O 3.47Å; Y535-T541 WeakPolarHBondContact CA-O 3.37Å; I536-T541 PolarHBondContact N-O 3.46Å; I536-T541 PolarHBondContact O-N 2.71Å; I536-T541 VanDerWaalsContact O-N 3.09Å; T539-T541 WeakPolarHBondContact CB-OG1 3.04Å; T539-T541 PolarHBondContact O-N 3.37Å; T539-T541 PolarHBondContact O-OG1 3.1Å; T539-T541 WeakPolarHBondContact OG1-CB 3.38Å; T539-T541 PolarHBondContact OG1-OG1 3.34Å
542	C	94.8	Very high	88.4	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	119.9	-179.4	174.7	0	0	0	0	109.4	T506 K507 C515 Y535 L544	T506-C542 CarbonylContact C-O 3.5Å; T506-C542 WeakPolarHBondContact CA-O 3.33Å; K507-C542 HydrophobicContact CB-CB 4.31Å; K507-C542 PolarHBondContact N-O 3.28Å; K507-C542 PolarHBondContact O-N 2.73Å; C515-C542 VanDerWaalsContact CA-SG 3.58Å; C515-C542 HydrophobicContact CB-CB 3.65Å; C515-C542 WeakPolarHBondContact CB-SG 3.42Å; C515-C542 WeakPolarHBondContact SG-CB 3.24Å; C515-C542 CovalentContact SG-SG 2.02Å; C515-C542 PolarHBondContact SG-SG 3.44Å; Y535-C542 HydrophobicContact CD2-CB 4.48Å; C542-L544 VanDerWaalsContact SG-CD2 3.55Å
543	W	96.4	Very high	87	Confident	83 Å²	83	40.7 Å²	40.7	31%	0.314	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	102.7	175	-70.4	-9.1	0	0	0	109.5	V503 V505 T506 F533 V534 I536	V503-W543 HydrophobicContact CB-CB 4.43Å; V503-W543 HydrophobicContact CG1-CB 3.75Å; V503-W543 HydrophobicContact CG1-CD2 4.36Å; V503-W543 HydrophobicContact CG1-CG 3.8Å; V503-W543 HydrophobicContact CG2-CB 3.89Å; V503-W543 HydrophobicContact CG2-CD2 3.81Å; V503-W543 HydrophobicContact CG2-CE3 3.64Å; V503-W543 HydrophobicContact CG2-CG 3.95Å; V503-W543 HydrophobicContact CG2-CZ3 4.41Å; V505-W543 CarbonylContact O-C 3.48Å; V505-W543 WeakPolarHBondContact O-CA 3.07Å; T506-W543 VanDerWaalsContact OG1-CD1 3.32Å; F533-W543 CarbonylContact C-O 3.53Å; F533-W543 WeakPolarHBondContact CA-O 3.45Å; F533-W543 WeakPolarHBondContact CB-O 3.32Å; V534-W543 HydrophobicContact CB-CB 4.17Å; V534-W543 HydrophobicContact CB-CE3 4.17Å; V534-W543 HydrophobicContact CG1-CE3 4.16Å; V534-W543 PolarHBondContact N-O 3.05Å; V534-W543 PolarHBondContact O-N 3.41Å; I536-W543 HydrophobicContact CD1-CD2 4.34Å; I536-W543 HydrophobicContact CD1-CE3 4.44Å; I536-W543 HydrophobicContact CD1-CH2 3.74Å; I536-W543 HydrophobicContact CD1-CZ2 3.59Å; I536-W543 HydrophobicContact CD1-CZ3 4.17Å
544	L	94.7	Very high	85.8	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	137.9	177.6	-54.9	179.4	0	0	0	110.2	E504 V505 L518 C519 F528 F533 C542	E504-L544 WeakPolarHBondContact CB-O 3.25Å; E504-L544 PolarHBondContact N-O 3.41Å; V505-L544 HydrophobicContact CB-CB 4.24Å; V505-L544 HydrophobicContact CB-CD1 4.26Å; V505-L544 HydrophobicContact CB-CG 4.48Å; V505-L544 HydrophobicContact CG1-CD1 4.28Å; V505-L544 PolarHBondContact N-O 2.99Å; V505-L544 PolarHBondContact O-N 3.38Å; L518-L544 HydrophobicContact CB-CD1 4.07Å; L518-L544 HydrophobicContact CB-CD2 4.42Å; C519-L544 HydrophobicContact CB-CD2 3.87Å; F528-L544 HydrophobicContact CE2-CB 4.48Å; F528-L544 HydrophobicContact CZ-CB 3.97Å; F528-L544 HydrophobicContact CZ-CD1 4.49Å; F533-L544 HydrophobicContact CB-CD2 3.85Å; F533-L544 HydrophobicContact CG-CD2 4.5Å; C542-L544 VanDerWaalsContact SG-CD2 3.55Å
545	N	92.4	Very high	85	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	137.3	-179.5	-52.4	-42.4	0	0	0	110.7	L499 S502 V503 C530 L531 S532 F547	L499-N545 HydrophobicContact CD2-CB 4.37Å; S502-N545 VanDerWaalsContact C-OD1 3.25Å; S502-N545 WeakPolarHBondContact O-CA 3.32Å; S502-N545 WeakPolarHBondContact O-CB 3.14Å; S502-N545 PolarHBondContact O-OD1 3.44Å; V503-N545 VanDerWaalsContact CA-OD1 3.26Å; V503-N545 WeakPolarHBondContact CA-OD1 3.35Å; V503-N545 PolarHBondContact N-OD1 3.01Å; C530-N545 WeakPolarHBondContact CA-O 3.48Å; L531-N545 PolarHBondContact N-O 3.4Å; S532-N545 PolarHBondContact N-O 2.92Å; S532-N545 WeakPolarHBondContact O-CA 2.97Å; S532-N545 WeakPolarHBondContact O-CB 3.31Å; S532-N545 PolarHBondContact O-N 2.79Å; S532-N545 WeakPolarHBondContact OG-CB 3.43Å; S532-N545 PolarHBondContact OG-ND2 2.84Å; S532-N545 VanDerWaalsContact OG-ND2 3.09Å; N545-F547 WeakPolarHBondContact CB-O 2.99Å; N545-F547 PolarHBondContact O-N 3.15Å
546	K	91.3	Very high	84.5	Confident	76 Å²	76	51.2 Å²	51.2	33%	0.33	24%	0.244	S	C	.	.	S	Bend	trans	-69.9	-14.3	167.7	-79.3	174	174.6	162.3	0	113.7	E504 F528 L531	E504-K546 HydrophobicContact CB-CG 4.34Å; E504-K546 VanDerWaalsContact CD-CE 3.42Å; E504-K546 HydrophobicContact CG-CD 3.96Å; E504-K546 HydrophobicContact CG-CG 4.05Å; E504-K546 WeakPolarHBondContact OE1-CE 3.36Å; E504-K546 IonicContact OE1-NZ 3.58Å; E504-K546 PolarHBondContact OE1-NZ 3.46Å; E504-K546 WeakPolarHBondContact OE2-CD 3.45Å; E504-K546 IonicContact OE2-NZ 3.72Å; F528-K546 HydrophobicContact CB-CD 4.04Å; F528-K546 HydrophobicContact CB-CG 3.86Å; F528-K546 HydrophobicContact CD1-CG 4.49Å; F528-K546 HydrophobicContact CD2-CB 4.3Å; F528-K546 HydrophobicContact CD2-CD 4.2Å; F528-K546 HydrophobicContact CD2-CG 3.2Å; F528-K546 HydrophobicContact CE2-CG 3.81Å; F528-K546 HydrophobicContact CG-CD 4.12Å; F528-K546 HydrophobicContact CG-CG 3.61Å; L531-K546 VanDerWaalsContact CD1-O 3.26Å; L531-K546 WeakPolarHBondContact CD1-O 3.34Å; L531-K546 WeakPolarHBondContact CG-O 3.49Å
547	F	88.8	Confident	83.8	Confident	63 Å²	63	52.4 Å²	52.4	28%	0.276	25%	0.254	S	S	.	.			trans	-119.6	159.1	-174.7	-55	-74.2	0	0	0	110.3	L499 S532 N545 Q551 R552	L499-F547 HydrophobicContact CD2-CB 4.1Å; L499-F547 VanDerWaalsContact CD2-O 3.3Å; L499-F547 WeakPolarHBondContact CD2-O 3.37Å; S532-F547 PolarHBondContact OG-O 3.07Å; N545-F547 WeakPolarHBondContact CB-O 2.99Å; N545-F547 PolarHBondContact O-N 3.15Å; F547-Q551 HydrophobicContact CB-CB 4.49Å; F547-Q551 HydrophobicContact CD1-CB 4.38Å; F547-R552 HydrophobicContact CB-CG 4.03Å; F547-R552 HydrophobicContact CD1-CG 4.4Å; F547-R552 VanDerWaalsContact CE2-CZ 3.41Å; F547-R552 VanDerWaalsContact CE2-NH2 3.34Å; F547-R552 HydrophobicContact CG-CG 4.11Å
548	N	84.5	Confident	83.1	Confident	13 Å²	13	53 Å²	53	7%	0.07	26%	0.26	C	S	.	.			trans	-119.3	178.7	168.8	63.2	16	0	0	0	112.3	L531 V550 Q551 R552 Y568 E570	L531-N548 HydrophobicContact CB-CB 4.14Å; N548-V550 PolarHBondContact O-N 3.45Å; N548-V550 PolarHBondContact OD1-N 3.38Å; N548-Q551 PolarHBondContact O-N 3.32Å; N548-Q551 WeakPolarHBondContact OD1-CB 3.46Å; N548-Q551 WeakPolarHBondContact OD1-CG 3.48Å; N548-Q551 PolarHBondContact OD1-N 3.03Å; N548-R552 PolarHBondContact O-N 3.1Å; N548-Y568 WeakPolarHBondContact CA-OH 3.38Å; N548-E570 WeakPolarHBondContact CB-OE1 2.99Å; N548-E570 VanDerWaalsContact CG-OE1 3.27Å; N548-E570 PolarHBondContact ND2-OE1 2.96Å
549	R	76.9	Confident	82.3	Confident	20 Å²	20	49.7 Å²	49.7	8%	0.075	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-26.8	179.1	72.4	-174.1	-172.4	-83.1	-2.5	113.6	G352 R552 P553 F556 Y568 E570	G352-R549 PolarHBondContact O-NE 3.18Å; R549-R552 CarbonylContact O-C 3.52Å; R549-P553 WeakPolarHBondContact O-CA 3.41Å; R549-P553 WeakPolarHBondContact O-CB 3.46Å; R549-P553 WeakPolarHBondContact O-CD 3.43Å; R549-F556 HydrophobicContact CB-CB 3.87Å; R549-F556 HydrophobicContact CB-CD1 3.92Å; R549-F556 HydrophobicContact CB-CD2 3.81Å; R549-F556 HydrophobicContact CB-CE1 4.42Å; R549-F556 HydrophobicContact CB-CE2 4.33Å; R549-F556 HydrophobicContact CB-CG 3.58Å; R549-Y568 PolarHBondContact N-OH 3.25Å; R549-E570 IonicContact CZ-OE2 3.48Å; R549-E570 VanDerWaalsContact NH1-CB 3.28Å; R549-E570 IonicContact NH1-OE2 2.7Å; R549-E570 PolarHBondContact NH1-OE2 2.84Å
550	V	75	Confident	81.2	Confident	65 Å²	65	53.7 Å²	53.7	39%	0.394	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-39.1	177.8	177.7	0	0	0	0	111.1	K375 N548 P553	K375-V550 HydrophobicContact CG-CG1 4.15Å; N548-V550 PolarHBondContact O-N 3.45Å; N548-V550 PolarHBondContact OD1-N 3.38Å; V550-P553 WeakPolarHBondContact O-CD 3.4Å
551	Q	78.5	Confident	80	Confident	108 Å²	108	58.3 Å²	58.3	51%	0.505	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-29.6	177.4	-70.4	175.7	-20.4	0	0	112.9	F547 N548 P553	F547-Q551 HydrophobicContact CB-CB 4.49Å; F547-Q551 HydrophobicContact CD1-CB 4.38Å; N548-Q551 PolarHBondContact O-N 3.32Å; N548-Q551 WeakPolarHBondContact OD1-CB 3.46Å; N548-Q551 WeakPolarHBondContact OD1-CG 3.48Å; N548-Q551 PolarHBondContact OD1-N 3.03Å; Q551-P553 VanDerWaalsContact C-CD 3.47Å
552	R	77.2	Confident	78.9	Confident	78 Å²	78	58.9 Å²	58.9	29%	0.294	29%	0.287	S	S	.	.			trans	-131.3	61.3	179.4	-69.2	-166.5	171.3	-165.7	-4	112.9	L499 N501 S502 F547 N548 R549 Q554 H555 F556	L499-R552 HydrophobicContact CD1-CB 4.14Å; N501-R552 PolarHBondContact O-NH1 2.75Å; N501-R552 VanDerWaalsContact O-NH1 3.12Å; S502-R552 WeakPolarHBondContact OG-CD 3.35Å; S502-R552 PolarHBondContact OG-NH1 3.23Å; F547-R552 HydrophobicContact CB-CG 4.03Å; F547-R552 HydrophobicContact CD1-CG 4.4Å; F547-R552 VanDerWaalsContact CE2-CZ 3.41Å; F547-R552 VanDerWaalsContact CE2-NH2 3.34Å; F547-R552 HydrophobicContact CG-CG 4.11Å; N548-R552 PolarHBondContact O-N 3.1Å; R549-R552 CarbonylContact O-C 3.52Å; R552-Q554 VanDerWaalsContact C-N 3.28Å; R552-Q554 PolarHBondContact O-N 3.05Å; R552-H555 HydrophobicContact CB-CB 4.23Å; R552-H555 PolarHBondContact O-N 2.81Å; R552-F556 PolarHBondContact O-N 3.08Å
553	P	65.8	Low	77.8	Confident	17 Å²	17	60.7 Å²	60.7	11%	0.11	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-63.9	-31.8	-174.3	24.9	-34.6	0	0	0	112.9	E374 R377 R549 V550 Q551 H555 F556	E374-P553 WeakPolarHBondContact O-CG 3.34Å; R377-P553 HydrophobicContact CB-CB 4.24Å; R377-P553 HydrophobicContact CG-CB 4.22Å; R549-P553 WeakPolarHBondContact O-CA 3.41Å; R549-P553 WeakPolarHBondContact O-CB 3.46Å; R549-P553 WeakPolarHBondContact O-CD 3.43Å; V550-P553 WeakPolarHBondContact O-CD 3.4Å; Q551-P553 VanDerWaalsContact C-CD 3.47Å; P553-H555 PolarHBondContact O-N 2.75Å; P553-F556 PolarHBondContact O-N 3Å
554	Q	70.1	Confident	76.8	Confident	146 Å²	146	63.5 Å²	63.5	68%	0.682	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-70.2	-15	176.8	-62	-150.1	-3	0	0	113.9	R552	R552-Q554 VanDerWaalsContact C-N 3.28Å; R552-Q554 PolarHBondContact O-N 3.05Å
555	H	76.2	Confident	76.3	Confident	61 Å²	61	68.7 Å²	68.7	28%	0.282	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-103.5	1.7	177.9	-63.5	-173.4	0	0	0	111.6	L499 I500 R552 P553	L499-H555 CarbonylContact C-O 3.49Å; L499-H555 WeakPolarHBondContact CA-O 3.42Å; L499-H555 HydrophobicContact CD1-CB 4.22Å; I500-H555 HydrophobicContact CG1-CB 3.92Å; I500-H555 VanDerWaalsContact CG1-O 3.22Å; I500-H555 WeakPolarHBondContact CG1-O 3.22Å; I500-H555 PolarHBondContact N-O 3.37Å; I500-H555 WeakPolarHBondContact O-CB 3.17Å; R552-H555 HydrophobicContact CB-CB 4.23Å; R552-H555 PolarHBondContact O-N 2.81Å; P553-H555 PolarHBondContact O-N 2.75Å
556	F	81.1	Confident	75.9	Confident	18 Å²	18	70 Å²	70	8%	0.079	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	112.1	175.4	-174.2	-113.3	0	0	0	108.9	V494 Y497 L499 R549 R552 P553 Y568	V494-F556 HydrophobicContact CB-CZ 4.48Å; V494-F556 HydrophobicContact CG1-CZ 4.14Å; Y497-F556 HydrophobicContact CD1-CD1 4.31Å; Y497-F556 AromaticContact CD1-CE1 3.7Å; Y497-F556 HydrophobicContact CD1-CE1 3.7Å; Y497-F556 HydrophobicContact CD1-CE2 4.3Å; Y497-F556 AromaticContact CD1-CZ 3.7Å; Y497-F556 HydrophobicContact CD1-CZ 3.7Å; Y497-F556 HydrophobicContact CE1-CE1 4.35Å; Y497-F556 HydrophobicContact CG-CE1 4.35Å; Y497-F556 HydrophobicContact CG-CE2 4.42Å; Y497-F556 AromaticContact CG-CZ 3.91Å; Y497-F556 HydrophobicContact CG-CZ 3.91Å; L499-F556 HydrophobicContact CD1-CB 3.88Å; L499-F556 HydrophobicContact CD1-CD2 4.33Å; R549-F556 HydrophobicContact CB-CB 3.87Å; R549-F556 HydrophobicContact CB-CD1 3.92Å; R549-F556 HydrophobicContact CB-CD2 3.81Å; R549-F556 HydrophobicContact CB-CE1 4.42Å; R549-F556 HydrophobicContact CB-CE2 4.33Å; R549-F556 HydrophobicContact CB-CG 3.58Å; R552-F556 PolarHBondContact O-N 3.08Å; P553-F556 PolarHBondContact O-N 3Å; F556-Y568 HydrophobicContact CD2-CD2 4.34Å; F556-Y568 HydrophobicContact CD2-CE2 4.35Å; F556-Y568 HydrophobicContact CD2-CG 4.44Å; F556-Y568 AromaticContact CE2-CD1 3.61Å; F556-Y568 HydrophobicContact CE2-CD1 3.61Å; F556-Y568 AromaticContact CE2-CD2 3.93Å; F556-Y568 HydrophobicContact CE2-CD2 3.93Å; F556-Y568 AromaticContact CE2-CE1 3.92Å; F556-Y568 HydrophobicContact CE2-CE1 3.92Å; F556-Y568 HydrophobicContact CE2-CE2 4.21Å; F556-Y568 AromaticContact CE2-CG 3.61Å; F556-Y568 HydrophobicContact CE2-CG 3.61Å; F556-Y568 HydrophobicContact CZ-CD1 4.12Å; F556-Y568 HydrophobicContact CZ-CE1 4.45Å; F556-Y568 HydrophobicContact CZ-CG 4.45Å
557	S	73.6	Confident	75.8	Confident	46 Å²	46	66.5 Å²	66.5	32%	0.322	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	154	-172.9	59.6	0	0	0	0	112.3	Y497 A498	Y497-S557 WeakPolarHBondContact CA-O 3.37Å; Y497-S557 VanDerWaalsContact CD1-C 3.48Å; A498-S557 PolarHBondContact N-O 3.08Å; A498-S557 PolarHBondContact O-N 2.85Å; A498-S557 VanDerWaalsContact O-N 3.11Å
558	Q	74	Confident	75.8	Confident	80 Å²	80	63.5 Å²	63.5	37%	0.374	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	137.1	170.7	-166.3	172.6	5.5	0	0	110.2	Y397 G496 Y497	Y397-Q558 PolarHBondContact OH-NE2 3.31Å; G496-Q558 CarbonylContact O-C 3.53Å; G496-Q558 WeakPolarHBondContact O-CA 3.4Å; G496-Q558 WeakPolarHBondContact O-CG 3.45Å; Y497-Q558 HydrophobicContact CD1-CB 4.25Å; Y497-Q558 HydrophobicContact CD2-CG 4.38Å; Y497-Q558 HydrophobicContact CE1-CB 3.78Å; Y497-Q558 HydrophobicContact CE2-CB 4.03Å; Y497-Q558 HydrophobicContact CE2-CG 3.85Å
559	V	69.7	Low	76.1	Confident	28 Å²	28	62.9 Å²	62.9	17%	0.17	31%	0.311	C	S	.	.			trans	-78.9	120.9	174.7	178.9	0	0	0	0	108.7	G496 A498 E561 I566	G496-V559 PolarHBondContact O-N 2.75Å; A498-V559 HydrophobicContact CB-CG2 3.86Å; V559-E561 WeakPolarHBondContact CG1-O 3.42Å; V559-I566 HydrophobicContact CG1-CD1 4.01Å; V559-I566 HydrophobicContact CG2-CB 4.38Å; V559-I566 HydrophobicContact CG2-CD1 4.16Å; V559-I566 HydrophobicContact CG2-CG2 4.26Å
560	N	63.4	Low	76.7	Confident	154 Å²	154	62.3 Å²	62.3	82%	0.824	31%	0.309	S	S	*	.	S	Bend	trans	-73.5	-35.6	-177.4	-63.8	-27.3	0	0	0	112.7
561	E	65.8	Low	77.4	Confident	157 Å²	157	60.7 Å²	60.7	73%	0.734	30%	0.296	S	S	*	.	S	Bend	trans	-97.5	110.5	-176.4	-70.1	-176	-171.4	0	0	111.8	V559	V559-E561 WeakPolarHBondContact CG1-O 3.42Å
562	A	67.5	Low	77.4	Confident	24 Å²	24	59 Å²	59	20%	0.198	29%	0.29	C	S	.	.			trans	50.1	60.7	178.1	0	0	0	0	0	113.4	Q564 R565	A562-Q564 VanDerWaalsContact CA-OE1 3.22Å; A562-Q564 PolarHBondContact O-N 2.84Å; A562-R565 HydrophobicContact CB-CG 4.15Å; A562-R565 VanDerWaalsContact CB-CZ 3.46Å; A562-R565 VanDerWaalsContact CB-NH2 3.28Å; A562-R565 WeakPolarHBondContact O-CB 3.43Å; A562-R565 PolarHBondContact O-N 3.41Å
563	P	71.8	Confident	77.3	Confident	38 Å²	38	57.7 Å²	57.7	25%	0.247	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-53	-30.6	-178.8	20.6	-33	0	0	0	113.4	G496 R565 I566	G496-P563 WeakPolarHBondContact CA-O 3.29Å; G496-P563 PolarHBondContact N-O 2.76Å; P563-R565 PolarHBondContact O-N 2.98Å; P563-I566 PolarHBondContact O-N 3.45Å; P563-I566 VanDerWaalsContact O-N 3.13Å
564	Q	75.3	Confident	76.9	Confident	142 Å²	142	57.7 Å²	57.7	66%	0.664	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-60.1	-15.9	175.9	71	-79.1	9.7	0	0	114.5	A562	A562-Q564 VanDerWaalsContact CA-OE1 3.22Å; A562-Q564 PolarHBondContact O-N 2.84Å
565	R	84.3	Confident	75.6	Confident	109 Å²	109	55.2 Å²	55.2	41%	0.411	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-90.7	-5.7	179.4	-63.4	-171	-65.6	-168.4	-3.2	113.5	I536 W537 A562 P563	I536-R565 CarbonylContact C-O 3.52Å; I536-R565 WeakPolarHBondContact CA-O 3.48Å; W537-R565 PolarHBondContact N-O 2.93Å; A562-R565 HydrophobicContact CB-CG 4.15Å; A562-R565 VanDerWaalsContact CB-CZ 3.46Å; A562-R565 VanDerWaalsContact CB-NH2 3.28Å; A562-R565 WeakPolarHBondContact O-CB 3.43Å; A562-R565 PolarHBondContact O-N 3.41Å; P563-R565 PolarHBondContact O-N 2.98Å
566	I	83.1	Confident	73.8	Confident	27 Å²	27	54.8 Å²	54.8	14%	0.138	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	135.9	-173.5	-56.2	-168.1	0	0	0	109.5	G496 A498 V534 Y535 I536 V559 P563	G496-I566 WeakPolarHBondContact CA-O 3.49Å; G496-I566 PolarHBondContact N-O 2.02Å; A498-I566 HydrophobicContact CB-CG2 4.48Å; V534-I566 HydrophobicContact CG1-CG2 3.42Å; V534-I566 VanDerWaalsContact CG1-CG2 3.42Å; Y535-I566 CarbonylContact O-C 3.59Å; Y535-I566 WeakPolarHBondContact O-CA 3.4Å; I536-I566 HydrophobicContact CG1-CD1 4.3Å; I536-I566 HydrophobicContact CG1-CG1 4.21Å; I536-I566 HydrophobicContact CG2-CG1 4.48Å; V559-I566 HydrophobicContact CG1-CD1 4.01Å; V559-I566 HydrophobicContact CG2-CB 4.38Å; V559-I566 HydrophobicContact CG2-CD1 4.16Å; V559-I566 HydrophobicContact CG2-CG2 4.26Å; P563-I566 PolarHBondContact O-N 3.45Å; P563-I566 VanDerWaalsContact O-N 3.13Å
567	S	88.3	Confident	71.6	Confident	3 Å²	3	59.2 Å²	59.2	2%	0.021	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	133.3	171.2	-68	0	0	0	0	110.2	E493 V534 Y535 W537	E493-S567 VanDerWaalsContact OE1-CB 3.23Å; E493-S567 WeakPolarHBondContact OE1-CB 3.25Å; E493-S567 PolarHBondContact OE1-OG 3.35Å; V534-S567 CarbonylContact C-O 3.55Å; V534-S567 WeakPolarHBondContact CA-O 3.16Å; Y535-S567 PolarHBondContact N-O 3.31Å; Y535-S567 PolarHBondContact O-N 2.78Å; W537-S567 PolarHBondContact NE1-OG 2.88Å
568	Y	88.9	Confident	69.5	Low	0 Å²	0	64 Å²	64	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	140	167.2	170.4	-93.5	0	0	0	109.3	E493 V494 Y497 L499 S532 V534 N548 R549 F556 E570	E493-Y568 CarbonylContact C-O 3.53Å; E493-Y568 WeakPolarHBondContact CA-O 3.46Å; V494-Y568 HydrophobicContact CB-CD1 4.13Å; V494-Y568 HydrophobicContact CG2-CD1 3.94Å; V494-Y568 PolarHBondContact N-O 3.19Å; V494-Y568 PolarHBondContact O-N 3.27Å; Y497-Y568 VanDerWaalsContact O-CB 3.32Å; Y497-Y568 WeakPolarHBondContact O-CB 3.46Å; Y497-Y568 PolarHBondContact O-N 2.83Å; L499-Y568 HydrophobicContact CB-CD2 4.1Å; L499-Y568 HydrophobicContact CB-CE2 3.78Å; S532-Y568 VanDerWaalsContact CB-CE2 3.41Å; S532-Y568 VanDerWaalsContact CB-CZ 3.48Å; S532-Y568 WeakPolarHBondContact CB-OH 3.16Å; S532-Y568 WeakPolarHBondContact OG-CE2 3.28Å; V534-Y568 HydrophobicContact CG2-CD2 4.12Å; N548-Y568 WeakPolarHBondContact CA-OH 3.38Å; R549-Y568 PolarHBondContact N-OH 3.25Å; F556-Y568 HydrophobicContact CD2-CD2 4.34Å; F556-Y568 HydrophobicContact CD2-CE2 4.35Å; F556-Y568 HydrophobicContact CD2-CG 4.44Å; F556-Y568 AromaticContact CE2-CD1 3.61Å; F556-Y568 HydrophobicContact CE2-CD1 3.61Å; F556-Y568 AromaticContact CE2-CD2 3.93Å; F556-Y568 HydrophobicContact CE2-CD2 3.93Å; F556-Y568 AromaticContact CE2-CE1 3.92Å; F556-Y568 HydrophobicContact CE2-CE1 3.92Å; F556-Y568 HydrophobicContact CE2-CE2 4.21Å; F556-Y568 AromaticContact CE2-CG 3.61Å; F556-Y568 HydrophobicContact CE2-CG 3.61Å; F556-Y568 HydrophobicContact CZ-CD1 4.12Å; F556-Y568 HydrophobicContact CZ-CE1 4.45Å; F556-Y568 HydrophobicContact CZ-CG 4.45Å; Y568-E570 HydrophobicContact CE1-CB 3.9Å; Y568-E570 WeakPolarHBondContact CE1-OE2 2.97Å; Y568-E570 PolarHBondContact OH-OE2 3.48Å
569	F	92.4	Very high	67.4	Low	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	119.2	176.2	-71.4	-96.4	0	0	0	109.5	H486 F491 L492 E493 V512 S532 F533 W537	H486-F569 HydrophobicContact CB-CE1 3.57Å; H486-F569 HydrophobicContact CB-CZ 3.7Å; F491-F569 HydrophobicContact CB-CD1 4.31Å; L492-F569 VanDerWaalsContact O-CA 3.32Å; L492-F569 WeakPolarHBondContact O-CA 3.39Å; E493-F569 HydrophobicContact CB-CD1 3.94Å; E493-F569 HydrophobicContact CB-CE1 3.55Å; E493-F569 HydrophobicContact CB-CZ 4.04Å; E493-F569 HydrophobicContact CG-CD1 4.25Å; E493-F569 HydrophobicContact CG-CE1 3.64Å; E493-F569 HydrophobicContact CG-CE2 4.1Å; E493-F569 HydrophobicContact CG-CZ 3.56Å; V512-F569 HydrophobicContact CG2-CE1 4.21Å; V512-F569 HydrophobicContact CG2-CE2 4.12Å; V512-F569 HydrophobicContact CG2-CZ 3.68Å; S532-F569 CarbonylContact C-O 3.6Å; S532-F569 WeakPolarHBondContact CA-O 3.47Å; S532-F569 WeakPolarHBondContact CB-O 3.39Å; F533-F569 HydrophobicContact CD1-CB 3.72Å; F533-F569 HydrophobicContact CD2-CB 3.85Å; F533-F569 AromaticContact CD2-CD2 3.72Å; F533-F569 HydrophobicContact CD2-CD2 3.72Å; F533-F569 HydrophobicContact CD2-CG 4.04Å; F533-F569 HydrophobicContact CE1-CB 3.39Å; F533-F569 HydrophobicContact CE1-CD1 4.42Å; F533-F569 HydrophobicContact CE1-CD2 4.49Å; F533-F569 AromaticContact CE1-CG 3.89Å; F533-F569 HydrophobicContact CE1-CG 3.89Å; F533-F569 HydrophobicContact CE2-CB 3.56Å; F533-F569 HydrophobicContact CE2-CD1 4.15Å; F533-F569 AromaticContact CE2-CD2 3.11Å; F533-F569 HydrophobicContact CE2-CD2 3.11Å; F533-F569 AromaticContact CE2-CE2 3.76Å; F533-F569 HydrophobicContact CE2-CE2 3.76Å; F533-F569 AromaticContact CE2-CG 3.34Å; F533-F569 HydrophobicContact CE2-CG 3.34Å; F533-F569 HydrophobicContact CE2-CZ 4.49Å; F533-F569 HydrophobicContact CG-CB 3.94Å; F533-F569 HydrophobicContact CZ-CB 3.31Å; F533-F569 AromaticContact CZ-CD1 3.72Å; F533-F569 HydrophobicContact CZ-CD1 3.72Å; F533-F569 AromaticContact CZ-CD2 3.57Å; F533-F569 HydrophobicContact CZ-CD2 3.57Å; F533-F569 HydrophobicContact CZ-CE1 4.39Å; F533-F569 HydrophobicContact CZ-CE2 4.26Å; F533-F569 AromaticContact CZ-CG 3.24Å; F533-F569 HydrophobicContact CZ-CG 3.24Å; F533-F569 PolarHBondContact N-O 2.76Å; F533-F569 PolarHBondContact O-N 2.78Å; W537-F569 HydrophobicContact CZ2-CE2 4.4Å; W537-F569 HydrophobicContact CZ2-CZ 4.16Å
570	E	89	Confident	65.7	Low	8 Å²	8	65.9 Å²	65.9	4%	0.037	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	133.5	172.2	-175.5	71.6	-142	0	0	110.2	F491 L492 N548 R549 Y568 L572	F491-E570 VanDerWaalsContact CA-O 3.23Å; F491-E570 WeakPolarHBondContact CA-O 3.43Å; L492-E570 HydrophobicContact CB-CB 4.16Å; L492-E570 PolarHBondContact N-O 3.33Å; L492-E570 PolarHBondContact O-N 2.87Å; N548-E570 WeakPolarHBondContact CB-OE1 2.99Å; N548-E570 VanDerWaalsContact CG-OE1 3.27Å; N548-E570 PolarHBondContact ND2-OE1 2.96Å; R549-E570 IonicContact CZ-OE2 3.48Å; R549-E570 VanDerWaalsContact NH1-CB 3.28Å; R549-E570 IonicContact NH1-OE2 2.7Å; R549-E570 PolarHBondContact NH1-OE2 2.84Å; Y568-E570 HydrophobicContact CE1-CB 3.9Å; Y568-E570 WeakPolarHBondContact CE1-OE2 2.97Å; Y568-E570 PolarHBondContact OH-OE2 3.48Å; E570-L572 HydrophobicContact CB-CD2 4.33Å; E570-L572 HydrophobicContact CG-CD2 3.68Å
571	Y	88.9	Confident	64	Low	30 Å²	30	66.1 Å²	66.1	12%	0.118	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	115.9	169.9	179.1	-132.9	0	0	0	111	C490 F491 L520 C530 L531 C573 N574	C490-Y571 HydrophobicContact CB-CE2 4.41Å; C490-Y571 CarbonylContact O-C 3.43Å; F491-Y571 HydrophobicContact CD1-CD2 4.27Å; F491-Y571 AromaticContact CE1-CD2 3.62Å; F491-Y571 HydrophobicContact CE1-CD2 3.62Å; F491-Y571 HydrophobicContact CE1-CG 4.05Å; F491-Y571 HydrophobicContact CE2-CD2 4.27Å; F491-Y571 AromaticContact CZ-CD2 3.63Å; F491-Y571 HydrophobicContact CZ-CD2 3.63Å; F491-Y571 HydrophobicContact CZ-CE2 4.21Å; F491-Y571 HydrophobicContact CZ-CG 4.38Å; L520-Y571 HydrophobicContact CD2-CD2 4.21Å; L520-Y571 HydrophobicContact CD2-CE2 3.36Å; C530-Y571 VanDerWaalsContact O-CD1 3.3Å; C530-Y571 WeakPolarHBondContact O-CD1 3.26Å; L531-Y571 VanDerWaalsContact O-CB 3.31Å; L531-Y571 WeakPolarHBondContact O-CB 3.31Å; L531-Y571 PolarHBondContact O-N 2.79Å; Y571-C573 HydrophobicContact CD2-CB 4.44Å; Y571-C573 HydrophobicContact CE2-CB 3.6Å; Y571-C573 VanDerWaalsContact CZ-C 3.48Å; Y571-C573 PolarHBondContact OH-O 3.2Å; Y571-N574 HydrophobicContact CD1-CB 3.95Å; Y571-N574 HydrophobicContact CE1-CB 3.65Å
572	L	78.1	Confident	62.2	Low	72 Å²	72	62 Å²	62	38%	0.377	33%	0.328	S	S	.	.			trans	-98.3	-27.4	-176.8	-56.6	-179.6	0	0	0	113.5	C490 L492 E570 N574	C490-L572 PolarHBondContact O-N 3.22Å; L492-L572 HydrophobicContact CB-CD1 4.03Å; L492-L572 HydrophobicContact CB-CG 4.41Å; E570-L572 HydrophobicContact CB-CD2 4.33Å; E570-L572 HydrophobicContact CG-CD2 3.68Å; L572-N574 PolarHBondContact O-N 3.36Å; L572-N574 VanDerWaalsContact O-N 3.08Å
573	C	76.9	Confident	60.4	Low	52 Å²	52	67.5 Å²	67.5	35%	0.351	35%	0.349	S	S	.	.			trans	-82.7	25.1	-174	-75	0	0	0	0	114.1	S489 C490 Y571 P575	S489-C573 PolarHBondContact O-SG 2.84Å; C490-C573 WeakPolarHBondContact CA-SG 3.28Å; C490-C573 HydrophobicContact CB-CB 3.59Å; C490-C573 WeakPolarHBondContact CB-SG 3.31Å; C490-C573 WeakPolarHBondContact SG-CB 3.19Å; C490-C573 CovalentContact SG-SG 2.03Å; C490-C573 PolarHBondContact SG-SG 3.31Å; Y571-C573 HydrophobicContact CD2-CB 4.44Å; Y571-C573 HydrophobicContact CE2-CB 3.6Å; Y571-C573 VanDerWaalsContact CZ-C 3.48Å; Y571-C573 PolarHBondContact OH-O 3.2Å; C573-P575 VanDerWaalsContact O-CD 3.24Å; C573-P575 WeakPolarHBondContact O-CD 3.06Å
574	N	56.7	Low	58.3	Low	17 Å²	17	72.5 Å²	72.5	9%	0.091	37%	0.374	C	S	.	.			trans	-69.5	119.1	-175.8	-174.3	-1.4	0	0	0	111.3	Q529 L531 Y571 L572 S576 E577	Q529-N574 VanDerWaalsContact NE2-CG 3.32Å; Q529-N574 PolarHBondContact NE2-ND2 2.92Å; Q529-N574 PolarHBondContact NE2-OD1 3.35Å; L531-N574 WeakPolarHBondContact CD2-ND2 3.29Å; Y571-N574 HydrophobicContact CD1-CB 3.95Å; Y571-N574 HydrophobicContact CE1-CB 3.65Å; L572-N574 PolarHBondContact O-N 3.36Å; L572-N574 VanDerWaalsContact O-N 3.08Å; N574-S576 VanDerWaalsContact CG-OG 3.28Å; N574-S576 PolarHBondContact ND2-OG 3.4Å; N574-S576 PolarHBondContact O-N 3.23Å; N574-S576 VanDerWaalsContact O-N 3.16Å; N574-S576 PolarHBondContact OD1-N 3.28Å; N574-S576 PolarHBondContact OD1-OG 3.34Å; N574-E577 PolarHBondContact O-N 3.15Å
575	P	41.9	Very low	56.2	Low	94 Å²	94	72.4 Å²	72.4	61%	0.61	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-63.7	-17.7	175.3	25.4	-34.1	0	0	0	113.6	C573 E577 E578	C573-P575 VanDerWaalsContact O-CD 3.24Å; C573-P575 WeakPolarHBondContact O-CD 3.06Å; P575-E577 PolarHBondContact O-N 2.92Å; P575-E578 PolarHBondContact O-N 3.29Å
576	S	38.8	Very low	53.6	Low	52 Å²	52	70 Å²	70	36%	0.364	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-74.8	-0.8	176.9	82	0	0	0	0	114	N574 N579	N574-S576 VanDerWaalsContact CG-OG 3.28Å; N574-S576 PolarHBondContact ND2-OG 3.4Å; N574-S576 PolarHBondContact O-N 3.23Å; N574-S576 VanDerWaalsContact O-N 3.16Å; N574-S576 PolarHBondContact OD1-N 3.28Å; N574-S576 PolarHBondContact OD1-OG 3.34Å; S576-N579 PolarHBondContact O-N 2.88Å
577	E	36	Very low	51	Low	111 Å²	111	75.9 Å²	75.9	52%	0.519	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-88.6	-7.2	170.9	-68.6	-152.6	155.3	0	0	114.4	N574 P575 N579 S580 K581	N574-E577 PolarHBondContact O-N 3.15Å; P575-E577 PolarHBondContact O-N 2.92Å; E577-N579 PolarHBondContact O-N 3.2Å; E577-S580 WeakPolarHBondContact O-CB 3.48Å; E577-S580 PolarHBondContact O-N 3.5Å; E577-K581 PolarHBondContact O-N 2.63Å
578	E	29.5	Very low	48.2	Very low	147 Å²	147	81.1 Å²	81.1	69%	0.687	45%	0.448	S	S	*	.	H	α-helix	trans	-66.2	-21	159.5	-75.4	-166	151.2	0	0	111.6	P575 K581 S582	P575-E578 PolarHBondContact O-N 3.29Å; E578-K581 WeakPolarHBondContact O-CB 3.32Å; E578-K581 PolarHBondContact O-N 3.21Å; E578-S582 PolarHBondContact O-N 3.34Å; E578-S582 VanDerWaalsContact O-N 3.11Å; E578-S582 PolarHBondContact O-OG 3.26Å; E578-S582 VanDerWaalsContact O-OG 3.07Å
579	N	29.6	Very low	45.2	Very low	96 Å²	96	91.6 Å²	91.6	51%	0.513	49%	0.487	S	S	.	.	H	α-helix	trans	-85.4	-15.1	167.1	-79.6	-15.4	0	0	0	114	S576 E577 Q583	S576-N579 PolarHBondContact O-N 2.88Å; E577-N579 PolarHBondContact O-N 3.2Å; N579-Q583 WeakPolarHBondContact O-CB 3.48Å; N579-Q583 WeakPolarHBondContact O-CG 3.11Å; N579-Q583 PolarHBondContact O-N 3.41Å
580	S	33.5	Very low	42	Very low	50 Å²	50	99.3 Å²	99.3	35%	0.35	53%	0.528	S	S	.	.	H	α-helix	trans	-71.7	-37	161	-64.1	0	0	0	0	110.2	E577 S582 L584	E577-S580 WeakPolarHBondContact O-CB 3.48Å; E577-S580 PolarHBondContact O-N 3.5Å; S580-S582 VanDerWaalsContact C-N 3.29Å; S580-S582 PolarHBondContact O-N 2.98Å; S580-L584 WeakPolarHBondContact O-CB 3.26Å; S580-L584 VanDerWaalsContact O-CD1 3.31Å; S580-L584 WeakPolarHBondContact O-CD1 3.41Å; S580-L584 VanDerWaalsContact O-CG 3.26Å; S580-L584 WeakPolarHBondContact O-CG 3.47Å; S580-L584 PolarHBondContact O-N 3Å; S580-L584 VanDerWaalsContact O-N 3.07Å
581	K	26.9	Very low	39.1	Very low	159 Å²	159	103.8 Å²	103.8	69%	0.691	56%	0.559	S	S	*	*	H	α-helix	trans	-61.6	-35.2	171.3	-119	175.7	-177.6	174.9	0	112.6	E577 E578 I585	E577-K581 PolarHBondContact O-N 2.63Å; E578-K581 WeakPolarHBondContact O-CB 3.32Å; E578-K581 PolarHBondContact O-N 3.21Å; K581-I585 WeakPolarHBondContact O-CD1 3.25Å
582	S	28.7	Very low	35.9	Very low	72 Å²	72	110 Å²	110	50%	0.503	59%	0.593	S	S	.	*	H	α-helix	trans	-96.1	-25.2	-176.3	-54.5	0	0	0	0	114.7	E578 S580	E578-S582 PolarHBondContact O-N 3.34Å; E578-S582 VanDerWaalsContact O-N 3.11Å; E578-S582 PolarHBondContact O-OG 3.26Å; E578-S582 VanDerWaalsContact O-OG 3.07Å; S580-S582 VanDerWaalsContact C-N 3.29Å; S580-S582 PolarHBondContact O-N 2.98Å
583	Q	30	Very low	33.3	Very low	138 Å²	138	113.6 Å²	113.6	65%	0.645	62%	0.618	S	S	*	*	H	α-helix	trans	-89.3	-23	174.6	-71.1	-179.3	-35.4	0	0	113.4	N579 I585 A586	N579-Q583 WeakPolarHBondContact O-CB 3.48Å; N579-Q583 WeakPolarHBondContact O-CG 3.11Å; N579-Q583 PolarHBondContact O-N 3.41Å; Q583-I585 PolarHBondContact O-N 2.8Å; Q583-A586 PolarHBondContact O-N 3.21Å
584	L	28.3	Very low	30.7	Very low	144 Å²	144	114.3 Å²	114.3	75%	0.754	63%	0.633	S	S	*	*	H	α-helix	trans	-69.8	-19.4	168.6	-74.9	163.9	0	0	0	112.7	S580	S580-L584 WeakPolarHBondContact O-CB 3.26Å; S580-L584 VanDerWaalsContact O-CD1 3.31Å; S580-L584 WeakPolarHBondContact O-CD1 3.41Å; S580-L584 VanDerWaalsContact O-CG 3.26Å; S580-L584 WeakPolarHBondContact O-CG 3.47Å; S580-L584 PolarHBondContact O-N 3Å; S580-L584 VanDerWaalsContact O-N 3.07Å
585	I	29.8	Very low	29	Very low	140 Å²	140	121 Å²	121	72%	0.718	67%	0.669	S	S	*	*	H	α-helix	trans	-91.9	-21.4	177.7	-65.9	172.7	0	0	0	112.4	K581 Q583	K581-I585 WeakPolarHBondContact O-CD1 3.25Å; Q583-I585 PolarHBondContact O-N 2.8Å
586	A	30.8	Very low	28.3	Very low	58 Å²	58	125.9 Å²	125.9	48%	0.479	68%	0.684	S	S	.	*	H	α-helix	trans	-89.9	-31	-173.9	0	0	0	0	0	115	Q583 S588 R589	Q583-A586 PolarHBondContact O-N 3.21Å; A586-S588 VanDerWaalsContact C-N 3.28Å; A586-S588 PolarHBondContact O-N 2.88Å; A586-R589 PolarHBondContact O-N 3.34Å
587	D	28.1	Very low	27.4	Very low	151 Å²	151	132.4 Å²	132.4	81%	0.807	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	14.7	-171	-82.7	-6.2	0	0	0	115.6
588	S	29.2	Very low	26.6	Very low	113 Å²	113	131.6 Å²	131.6	79%	0.79	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	12.6	167.3	-73.2	0	0	0	0	114.4	A586	A586-S588 VanDerWaalsContact C-N 3.28Å; A586-S588 PolarHBondContact O-N 2.88Å
589	R	25.3	Very low	26.3	Very low	219 Å²	219	131.3 Å²	131.3	83%	0.826	73%	0.73	S	S	*	*	S	Bend	trans	-140.6	79.7	174.7	-68.8	-173.3	-170.5	173.4	4.5	113.7	A586	A586-R589 PolarHBondContact O-N 3.34Å
590	N	27.1	Very low	25.8	Very low	162 Å²	162	135.8 Å²	135.8	87%	0.866	75%	0.747	S	S	*	*				143.7	146.2	127	-88.4	-14.9	0	0	0	113.5
591	P	26.4	Very low	25.3	Very low	103 Å²	103	139.6 Å²	139.6	67%	0.669	77%	0.771	S	S	*	*			trans	-96.4	155.3	-174.4	39.7	-35.5	0	0	0	113.5
592	L	21.6	Very low	25	Very low	160 Å²	160	141.5 Å²	141.5	84%	0.838	78%	0.779	S	S	*	*			trans	89	139.4	150.7	-66.3	158	0	0	0	121.3
593	V	23.8	Very low	24.6	Very low	148 Å²	148	145.7 Å²	145.7	90%	0.897	80%	0.795	S	S	*	*			trans	81.6	125.9	160.6	-157.9	0	0	0	0	115.2
594	G	22.6	Very low	24.1	Very low	66 Å²	66	150.1 Å²	150.1	68%	0.68	81%	0.807	S	S	*	*			cis	174	166.6	7.2	0	0	0	0	0	108.3
595	D	22	Very low	23.8	Very low	158 Å²	158	150.5 Å²	150.5	85%	0.845	81%	0.805	S	S	*	*			trans	-36.8	141.2	-174.9	-64.9	-56.3	0	0	0	117.7
596	Q	25.9	Very low	23.6	Very low	197 Å²	197	151.4 Å²	151.4	92%	0.921	81%	0.806	S	S	*	*				-169.7	133.8	122.4	-101.5	163.8	31.8	0	0	113.3
597	Q	20.1	Very low	23.3	Very low	188 Å²	188	156.7 Å²	156.7	88%	0.879	82%	0.819	S	S	*	*			trans	-70.1	145.2	178	-68.8	165.4	-28.8	0	0	112.7
598	A	19.4	Very low	23.3	Very low	95 Å²	95	157.6 Å²	157.6	79%	0.785	82%	0.824	S	S	*	*			trans	39.5	110.1	143.9	0	0	0	0	0	119.7
599	T	24	Very low	23.1	Very low	141 Å²	141	160.9 Å²	160.9	87%	0.865	83%	0.827	S	S	*	*			trans	-153.2	127.3	137.1	24.9	0	0	0	0	111.1
600	Q	18.1	Very low	23.3	Very low	189 Å²	189	159.1 Å²	159.1	88%	0.883	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-64.5	132.3	168.5	-74.3	175.1	-35.1	0	0	110.8	K602	Q600-K602 PolarHBondContact O-N 3.33Å
601	P	23.6	Very low	23.2	Very low	130 Å²	130	162 Å²	162	84%	0.844	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-78	120.8	168.3	-10	26.9	0	0	0	110.3
602	K	21	Very low	23.4	Very low	200 Å²	200	164.3 Å²	164.3	87%	0.87	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-67.7	138.7	169.8	-77.3	178.6	174.6	178.1	0	111	Q600	Q600-K602 PolarHBondContact O-N 3.33Å
603	L	18.7	Very low	24.1	Very low	159 Å²	159	162.8 Å²	162.8	83%	0.832	82%	0.821	S	S	*	*			trans	-15.7	117.8	154.4	-158.4	75.2	0	0	0	114.7
604	Y	21	Very low	24.7	Very low	231 Å²	231	161.8 Å²	161.8	91%	0.906	81%	0.81	S	S	*	*			trans	-94.4	121.3	162.1	-155.8	-96.2	0	0	0	108.4
605	E	22.1	Very low	25.4	Very low	152 Å²	152	163.5 Å²	163.5	71%	0.71	80%	0.803	S	S	*	*			trans	-79.8	159.4	175.7	-78.2	178.4	132.7	0	0	112.5
606	Q	25.2	Very low	25.8	Very low	159 Å²	159	160.6 Å²	160.6	74%	0.743	79%	0.787	S	S	*	*			trans	95.9	110.8	156.6	-77.6	-172.2	-4.9	0	0	121
607	K	23.4	Very low	26.1	Very low	170 Å²	170	158.6 Å²	158.6	74%	0.739	78%	0.775	S	S	*	*			trans	76.2	96.2	133.7	-68.7	178.4	176.8	178	0	118.2
608	N	27.9	Very low	26.9	Very low	170 Å²	170	157.1 Å²	157.1	91%	0.909	77%	0.768	S	S	*	*				-153.7	90.2	121.3	-96.5	-18.4	0	0	0	109.3
609	E	25.4	Very low	27.3	Very low	182 Å²	182	158.5 Å²	158.5	85%	0.85	76%	0.762	S	S	*	*			trans	-70.5	157.1	157.9	-70.6	-179.2	139.5	0	0	109.2
610	Q	30.4	Very low	28	Very low	182 Å²	182	157.7 Å²	157.7	85%	0.85	75%	0.751	S	S	*	*			trans	108	34.9	159.6	-143.9	121.5	12.5	0	0	119.8
611	W	23.8	Very low	28.7	Very low	222 Å²	222	152.4 Å²	152.4	84%	0.841	74%	0.739	S	S	*	*	S	Bend	trans	-142.1	33.1	156.5	-140.1	80.6	0	0	0	116
612	H	30.4	Very low	29	Very low	152 Å²	152	153.4 Å²	153.4	70%	0.704	74%	0.738	S	S	*	*	S	Bend	trans	-135.4	1.1	174.9	-95.7	57.6	0	0	0	115.7
613	N	38	Very low	29.3	Very low	127 Å²	127	154.2 Å²	154.2	68%	0.679	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-4.4	-177.6	-82.9	-20.9	0	0	0	115.8
614	D	35.6	Very low	29.7	Very low	128 Å²	128	154.4 Å²	154.4	68%	0.684	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	-28.2	177.3	-72.4	-24.7	0	0	0	113.7
615	I	36.8	Very low	30	Very low	101 Å²	101	150.8 Å²	150.8	52%	0.518	73%	0.727	S	S	.	*	H	α-helix	trans	-79.8	-32.3	176.4	-61.1	178.5	0	0	0	110.9	K617 Q618 L619	I615-K617 VanDerWaalsContact C-N 3.27Å; I615-K617 PolarHBondContact O-N 3.24Å; I615-Q618 PolarHBondContact O-N 3.45Å; I615-L619 HydrophobicContact CG2-CD1 4.14Å; I615-L619 PolarHBondContact O-N 3.13Å
616	L	30.4	Very low	30.1	Very low	98 Å²	98	151.5 Å²	151.5	51%	0.513	73%	0.732	S	S	.	*	H	α-helix	trans	-67.8	-26.7	177.2	-163.6	65.5	0	0	0	112.7	I620	L616-I620 HydrophobicContact CG-CD1 4.1Å; L616-I620 WeakPolarHBondContact O-CG1 3.49Å; L616-I620 PolarHBondContact O-N 3.37Å
617	K	33.1	Very low	30.2	Very low	154 Å²	154	152.1 Å²	152.1	67%	0.67	74%	0.735	S	S	*	*	H	α-helix	trans	-72.5	-29.7	173.8	-77.5	-179.3	180	174	0	113.2	I615	I615-K617 VanDerWaalsContact C-N 3.27Å; I615-K617 PolarHBondContact O-N 3.24Å
618	Q	35.7	Very low	30.3	Very low	158 Å²	158	152.9 Å²	152.9	74%	0.738	74%	0.741	S	S	*	*	H	α-helix	trans	-78.9	-27.9	175.7	-75.9	-165	-5.6	0	0	113.1	I615	I615-Q618 PolarHBondContact O-N 3.45Å
619	L	29.7	Very low	30.3	Very low	124 Å²	124	149.9 Å²	149.9	65%	0.649	73%	0.731	S	S	*	*	H	α-helix	trans	-82.9	-21.5	179.8	-73.7	166.2	0	0	0	113.8	I615	I615-L619 HydrophobicContact CG2-CD1 4.14Å; I615-L619 PolarHBondContact O-N 3.13Å
620	I	38.1	Very low	30	Very low	124 Å²	124	146.2 Å²	146.2	64%	0.636	73%	0.725	S	S	*	*	H	α-helix	trans	-83.9	-17.9	175.5	-64.6	172.8	0	0	0	112.1	L616 N622	L616-I620 HydrophobicContact CG-CD1 4.1Å; L616-I620 WeakPolarHBondContact O-CG1 3.49Å; L616-I620 PolarHBondContact O-N 3.37Å; I620-N622 VanDerWaalsContact C-N 3.32Å; I620-N622 PolarHBondContact O-N 2.86Å
621	A	33.2	Very low	29.7	Very low	77 Å²	77	147.5 Å²	147.5	64%	0.636	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-14.8	179.8	0	0	0	0	0	114.9
622	N	29.1	Very low	29.6	Very low	152 Å²	152	143.4 Å²	143.4	81%	0.813	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124	35.8	-174.1	-79.5	-23.7	0	0	0	114.6	I620	I620-N622 VanDerWaalsContact C-N 3.32Å; I620-N622 PolarHBondContact O-N 2.86Å
623	R	26.6	Very low	29.2	Very low	217 Å²	217	139.5 Å²	139.5	82%	0.819	73%	0.728	S	S	*	*			trans	-120.3	38.7	176.3	-148.8	-176.1	-168.8	162.1	4	115.4
624	H	27.9	Very low	28.6	Very low	163 Å²	163	140.5 Å²	140.5	76%	0.755	73%	0.734	S	S	*	*			trans	-136.3	76.7	162	-74.7	-63.8	0	0	0	111
625	L	27.8	Very low	27.9	Very low	155 Å²	155	141.3 Å²	141.3	81%	0.812	73%	0.734	S	S	*	*	S	Bend	trans	-138.5	117.7	153.7	-107.9	135.6	0	0	0	108.3
626	M	24.7	Very low	27.4	Very low	167 Å²	167	147.9 Å²	147.9	82%	0.823	75%	0.753	S	S	*	*			trans	80.3	66.7	167.5	-48.6	-53.8	-159.4	0	0	116.9
627	Q	25.9	Very low	26.9	Very low	172 Å²	172	150.9 Å²	150.9	80%	0.804	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-77.5	140.9	147.1	-81.4	175.2	-26.9	0	0	110.2
628	H	26.1	Very low	26.4	Very low	186 Å²	186	147.7 Å²	147.7	86%	0.861	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-65.8	159.8	173.6	-82.4	-84	0	0	0	113.2
629	P	26.9	Very low	25.8	Very low	107 Å²	107	150.4 Å²	150.4	70%	0.695	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-87.7	151.1	-158	33.8	-34.6	0	0	0	115.2
630	S	20.9	Very low	25.7	Very low	104 Å²	104	148.9 Å²	148.9	73%	0.727	77%	0.767	S	S	*	*			trans	59.2	100.9	146.2	55.7	0	0	0	0	118.6
631	F	22.3	Very low	25.1	Very low	210 Å²	210	151.7 Å²	151.7	92%	0.921	78%	0.783	S	S	*	*			trans	-143.5	115.5	135.1	-125.6	-91.7	0	0	0	110.2
632	T	21.5	Very low	24.4	Very low	136 Å²	136	155.8 Å²	155.8	83%	0.834	79%	0.789	S	S	*	*			trans	-84.6	130.6	172.5	44.5	0	0	0	0	109.4
633	G	23.4	Very low	24.2	Very low	69 Å²	69	154.9 Å²	154.9	71%	0.711	79%	0.788	S	S	*	*			trans	167.7	94.7	171	0	0	0	0	0	114.4
634	N	24.6	Very low	24.2	Very low	148 Å²	148	149.8 Å²	149.8	79%	0.791	78%	0.784	S	S	*	*			trans	54.2	104.4	146.2	-61	-4.7	0	0	0	120.8
635	E	22	Very low	24	Very low	145 Å²	145	148 Å²	148	68%	0.678	79%	0.787	S	S	*	*				46.8	96.1	111.1	-158.8	167.4	-150	0	0	118.2	K637	E635-K637 IonicContact OE1-NZ 3.61Å
636	Y	24.7	Very low	23.9	Very low	239 Å²	239	145.5 Å²	145.5	94%	0.937	79%	0.788	S	S	*	*			trans	-131.2	113.7	142.2	-88.1	-86.9	0	0	0	109.3
637	K	20.3	Very low	23.9	Very low	161 Å²	161	146.8 Å²	146.8	70%	0.7	79%	0.792	S	S	*	*			trans	-100.2	133.3	169.4	-78.1	170.8	177.3	152.9	0	109.2	E635	E635-K637 IonicContact OE1-NZ 3.61Å
638	A	23.6	Very low	23.6	Very low	88 Å²	88	146.6 Å²	146.6	73%	0.727	79%	0.791	S	S	*	*			trans	-178.3	104.5	143.2	0	0	0	0	0	107.8
639	Y	22.2	Very low	23.6	Very low	215 Å²	215	143 Å²	143	84%	0.843	79%	0.793	S	S	*	*				92.4	150	79.9	-86.4	-57.7	0	0	0	113
640	P	28.7	Very low	23.3	Very low	91 Å²	91	146.5 Å²	146.5	59%	0.591	80%	0.798	S	S	*	*				-126.5	168	-125	35	-15.1	0	0	0	113.9
641	L	23.7	Very low	23.3	Very low	183 Å²	183	148 Å²	148	96%	0.958	80%	0.797	S	S	*	*			trans	-115.4	114.5	158	-88.5	160.8	0	0	0	108.3
642	Q	18.8	Very low	23.3	Very low	164 Å²	164	144.1 Å²	144.1	77%	0.766	79%	0.793	S	S	*	*			trans	-113.2	167.8	175.5	-84.9	-176.5	-26	0	0	110
643	V	26.5	Very low	23.3	Very low	132 Å²	132	146.1 Å²	146.1	80%	0.8	79%	0.79	S	S	*	*			trans	99.9	135.2	163	-165.6	0	0	0	0	113.8
644	P	26.6	Very low	23.3	Very low	111 Å²	111	151.2 Å²	151.2	72%	0.721	80%	0.8	S	S	*	*			cis	-133.9	176.2	-33.5	37.7	-20.2	0	0	0	113.1
645	P	23	Very low	23.3	Very low	126 Å²	126	150 Å²	150	82%	0.818	80%	0.798	S	S	*	*			trans	-89.6	146.3	179.9	34.5	-31.1	0	0	0	113.2
646	A	25.9	Very low	23.2	Very low	102 Å²	102	151.4 Å²	151.4	84%	0.843	81%	0.805	S	S	*	*			trans	-123.8	96.5	165.6	0	0	0	0	0	109.4
647	E	24.1	Very low	23.2	Very low	193 Å²	193	149.4 Å²	149.4	90%	0.902	80%	0.804	S	S	*	*			trans	28.6	138.4	136.9	-144.5	163.1	178.6	0	0	122.4
648	E	20.9	Very low	23.3	Very low	168 Å²	168	147.2 Å²	147.2	79%	0.785	80%	0.804	S	S	*	*			trans	-63.6	135.2	-175	-58.8	171.7	142.2	0	0	114.4
649	A	25.3	Very low	23.3	Very low	110 Å²	110	149.1 Å²	149.1	91%	0.909	81%	0.807	S	S	*	*			trans	-115.5	111.5	157.9	0	0	0	0	0	109.4
650	K	21.2	Very low	23.2	Very low	182 Å²	182	147.2 Å²	147.2	79%	0.791	81%	0.805	S	S	*	*			trans	-80.8	144.7	178.5	-84.1	172.2	175.2	164.4	0	112.8
651	L	20.1	Very low	23.1	Very low	134 Å²	134	151.6 Å²	151.6	70%	0.702	82%	0.818	S	S	*	*			trans	64.2	139.5	147.7	-120.1	66.8	0	0	0	118.8	K653	L651-K653 HydrophobicContact CD1-CG 4.2Å; L651-K653 HydrophobicContact CD2-CG 4.39Å; L651-K653 HydrophobicContact CG-CG 4.33Å
652	P	23.2	Very low	23	Very low	129 Å²	129	148.7 Å²	148.7	84%	0.838	81%	0.808	S	S	*	*				-130.1	147	70.7	16.3	5.7	0	0	0	115.2
653	K	19.7	Very low	23.2	Very low	178 Å²	178	149.3 Å²	149.3	77%	0.774	81%	0.811	S	S	*	*			trans	-77	139.5	165.4	-77.6	174.8	172.2	-178.1	0	109	L651	L651-K653 HydrophobicContact CD1-CG 4.2Å; L651-K653 HydrophobicContact CD2-CG 4.39Å; L651-K653 HydrophobicContact CG-CG 4.33Å
654	L	24.5	Very low	23.1	Very low	176 Å²	176	149.2 Å²	149.2	92%	0.921	81%	0.811	S	S	*	*			trans	-119.2	144	159.1	-162.4	68.8	0	0	0	109.7
655	T	23.5	Very low	22.7	Very low	123 Å²	123	150.1 Å²	150.1	76%	0.755	81%	0.814	S	S	*	*			trans	-86.9	152.4	-147.9	-36.7	0	0	0	0	114.1
656	E	21.5	Very low	23	Very low	174 Å²	174	151.3 Å²	151.3	81%	0.813	81%	0.812	S	S	*	*			trans	-56.9	137.5	167.3	-65.1	163.1	155.8	0	0	112.5
657	Q	25.1	Very low	22.7	Very low	198 Å²	198	154.7 Å²	154.7	93%	0.925	81%	0.81	S	S	*	*			trans	-131.6	109	148.9	-85.3	-170.5	-12	0	0	109.9
658	T	20.3	Very low	22.6	Very low	115 Å²	115	151.1 Å²	151.1	71%	0.706	80%	0.802	S	S	*	*			trans	-71.1	131.6	166	-42.9	0	0	0	0	109.5
659	T	24.7	Very low	22.7	Very low	127 Å²	127	149.1 Å²	149.1	78%	0.779	80%	0.802	S	S	*	*			trans	-150.5	107.9	142	-46.1	0	0	0	0	109.1
660	Q	20.4	Very low	22.9	Very low	175 Å²	175	150.1 Å²	150.1	82%	0.818	80%	0.797	S	S	*	*			trans	-74.4	130.7	157.9	-68.8	171	-10.4	0	0	107.5
661	Q	26.6	Very low	23.1	Very low	184 Å²	184	146.9 Å²	146.9	86%	0.86	80%	0.797	S	S	*	*			trans	-148.7	145.6	153.6	-112.9	173.9	25.4	0	0	112
662	T	21.3	Very low	23.5	Very low	122 Å²	122	146.5 Å²	146.5	75%	0.748	80%	0.8	S	S	*	*			trans	-87.5	157.4	-155	-29.4	0	0	0	0	112.4
663	H	22.4	Very low	23.7	Very low	177 Å²	177	145 Å²	145	82%	0.819	80%	0.799	S	S	*	*			trans	-13.3	130.7	162.4	-65.2	-82.4	0	0	0	118.3
664	T	23.9	Very low	24.3	Very low	130 Å²	130	142.7 Å²	142.7	80%	0.798	80%	0.799	S	S	*	*			trans	-149.7	125.8	139.6	-52.5	0	0	0	0	111
665	T	19.9	Very low	24.6	Very low	129 Å²	129	140.6 Å²	140.6	79%	0.791	79%	0.794	S	S	*	*			trans	-64	124	167	-58.7	0	0	0	0	110.4
666	I	27.9	Very low	24.9	Very low	151 Å²	151	137.5 Å²	137.5	77%	0.774	78%	0.781	S	S	*	*			trans	-125.3	108.5	162	-64	179.8	0	0	0	107.9
667	Q	19.8	Very low	25.2	Very low	173 Å²	173	136.1 Å²	136.1	81%	0.808	78%	0.779	S	S	*	*			trans	-64.9	129.1	149.1	-70.6	173.9	-21.7	0	0	107.4
668	T	22.9	Very low	25.3	Very low	118 Å²	118	133.1 Å²	133.1	72%	0.724	78%	0.776	S	S	*	*				177.9	127.1	127.6	-67.2	0	0	0	0	108.6
669	T	23.1	Very low	25.7	Very low	127 Å²	127	131.1 Å²	131.1	78%	0.779	78%	0.779	S	S	*	*			trans	-21.7	127.5	160.8	46.1	0	0	0	0	116.5
670	T	27.9	Very low	25.7	Very low	131 Å²	131	132.4 Å²	132.4	80%	0.804	78%	0.776	S	S	*	*			trans	-148.6	122.5	134	-32.6	0	0	0	0	108.8	T672	T670-T672 PolarHBondContact O-N 3.07Å
671	S	25.3	Very low	26.3	Very low	114 Å²	114	132.4 Å²	132.4	80%	0.797	78%	0.776	S	S	*	*			trans	-57.2	112.3	175.3	51.5	0	0	0	0	111.3	A673	S671-A673 PolarHBondContact O-N 2.91Å
672	T	28.7	Very low	26.6	Very low	126 Å²	126	129.1 Å²	129.1	77%	0.773	77%	0.773	S	S	*	*			trans	-79.6	104.9	156.3	27.5	0	0	0	0	108.1	T670 T674	T670-T672 PolarHBondContact O-N 3.07Å; T672-T674 PolarHBondContact O-N 2.89Å; T672-T674 PolarHBondContact O-OG1 3.47Å
673	A	28.5	Very low	27.3	Very low	98 Å²	98	127.5 Å²	127.5	81%	0.81	76%	0.76	S	S	*	*			trans	-54.9	103.5	163.7	0	0	0	0	0	108	S671	S671-A673 PolarHBondContact O-N 2.91Å
674	T	33.1	Very low	28	Very low	128 Å²	128	124 Å²	124	79%	0.785	76%	0.755	S	S	*	*			trans	-87.3	112.7	170.5	-45.7	0	0	0	0	105.4	T672 A676	T672-T674 PolarHBondContact O-N 2.89Å; T672-T674 PolarHBondContact O-OG1 3.47Å; T674-A676 PolarHBondContact O-N 2.88Å
675	T	30.7	Very low	29.2	Very low	132 Å²	132	120.2 Å²	120.2	81%	0.81	73%	0.732	S	S	*	*			trans	-52.9	111.2	176.6	-48.4	0	0	0	0	109
676	A	28.5	Very low	30.8	Very low	59 Å²	59	121 Å²	121	49%	0.488	72%	0.721	S	S	.	*			trans	-62.8	133.4	176.5	0	0	0	0	0	109.7	T674 E680	T674-A676 PolarHBondContact O-N 2.88Å; A676-E680 HydrophobicContact CB-CB 4.33Å
677	L	28.7	Very low	32.1	Very low	145 Å²	145	119.6 Å²	119.6	76%	0.759	72%	0.724	S	S	*	*			trans	-65.1	153.1	169.5	-88	108	0	0	0	110.1	G679 E680	L677-G679 PolarHBondContact O-N 2.72Å; L677-E680 PolarHBondContact O-N 3.42Å
678	P	26.4	Very low	34	Very low	134 Å²	134	113.1 Å²	113.1	87%	0.87	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.1	115.5	178.1	-14.4	27.4	0	0	0	109.7
679	G	29.2	Very low	35.8	Very low	74 Å²	74	113.6 Å²	113.6	76%	0.763	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	130.9	-14.3	179.2	0	0	0	0	0	115.5	L677 E681	L677-G679 PolarHBondContact O-N 2.72Å; G679-E681 PolarHBondContact O-N 3.32Å; G679-E681 VanDerWaalsContact O-N 3.08Å
680	E	25.4	Very low	37.8	Very low	154 Å²	154	113.7 Å²	113.7	72%	0.72	68%	0.678	S	S	*	*			trans	-83.1	69.9	166.3	-71.1	-170.4	154.3	0	0	109.9	A676 L677 S682	A676-E680 HydrophobicContact CB-CB 4.33Å; L677-E680 PolarHBondContact O-N 3.42Å; E680-S682 PolarHBondContact O-N 3.29Å
681	E	31.5	Very low	39.4	Very low	174 Å²	174	110.7 Å²	110.7	81%	0.813	66%	0.662	S	S	*	*			trans	-56	122.2	155.7	-75.3	-175.3	164.3	0	0	106.9	G679 L683	G679-E681 PolarHBondContact O-N 3.32Å; G679-E681 VanDerWaalsContact O-N 3.08Å; E681-L683 VanDerWaalsContact C-N 3.34Å; E681-L683 PolarHBondContact O-N 2.84Å
682	S	33.1	Very low	41.1	Very low	115 Å²	115	110.5 Å²	110.5	80%	0.804	65%	0.649	S	S	*	*			trans	-53.3	99.5	175.8	57.6	0	0	0	0	109	E680 S684	E680-S682 PolarHBondContact O-N 3.29Å; S682-S684 VanDerWaalsContact C-N 3.3Å; S682-S684 PolarHBondContact O-N 2.83Å
683	L	35.6	Very low	42.6	Very low	89 Å²	89	105.7 Å²	105.7	47%	0.466	62%	0.617	S	S	.	*			trans	-62.5	93.7	178.5	-76.7	169.9	0	0	0	108.2	E681 T685 L718	E681-L683 VanDerWaalsContact C-N 3.34Å; E681-L683 PolarHBondContact O-N 2.84Å; L683-T685 PolarHBondContact O-N 3.5Å; L683-T685 VanDerWaalsContact O-N 3.1Å; L683-L718 HydrophobicContact CB-CD1 3.79Å; L683-L718 HydrophobicContact CD1-CD1 3.87Å; L683-L718 HydrophobicContact CD2-CD1 3.56Å; L683-L718 HydrophobicContact CG-CD1 3.93Å
684	S	38.8	Very low	43.4	Very low	103 Å²	103	104.7 Å²	104.7	72%	0.72	60%	0.6	S	S	*	*			trans	-67.8	105.7	175.7	174	0	0	0	0	108.6	S682 R686	S682-S684 VanDerWaalsContact C-N 3.3Å; S682-S684 PolarHBondContact O-N 2.83Å; S684-R686 PolarHBondContact O-N 3.47Å
685	T	48.7	Very low	43.8	Very low	51 Å²	51	102.4 Å²	102.4	31%	0.313	60%	0.603	S	S	.	*	P	Polyproline II helix	trans	-71	118.3	164.7	50.9	0	0	0	0	107.9	L683 S687 Q720	L683-T685 PolarHBondContact O-N 3.5Å; L683-T685 VanDerWaalsContact O-N 3.1Å; T685-S687 PolarHBondContact O-N 2.74Å; T685-Q720 HydrophobicContact CG2-CG 4.47Å
686	R	53.6	Low	44.9	Very low	146 Å²	146	97.3 Å²	97.3	55%	0.551	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-53.9	140.8	171.8	-82.1	-177	174.9	166.8	0.7	109.9	S684 F688	S684-R686 PolarHBondContact O-N 3.47Å; R686-F688 WeakPolarHBondContact O-CD2 3.4Å; R686-F688 WeakPolarHBondContact O-CE2 3.48Å; R686-F688 PolarHBondContact O-N 2.79Å
687	S	53.9	Low	46.9	Very low	120 Å²	120	98.9 Å²	98.9	84%	0.839	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-68.2	116.5	168.7	57.6	0	0	0	0	109	T685	T685-S687 PolarHBondContact O-N 2.74Å
688	F	60.6	Low	49.3	Very low	38 Å²	38	93.3 Å²	93.3	17%	0.167	56%	0.556	C	S	.	*			trans	-88.4	111.8	178.2	-66.7	-88.7	0	0	0	109.4	R686 Y690 F717 V719 H724 E728	R686-F688 WeakPolarHBondContact O-CD2 3.4Å; R686-F688 WeakPolarHBondContact O-CE2 3.48Å; R686-F688 PolarHBondContact O-N 2.79Å; F688-Y690 HydrophobicContact CB-CD1 4.4Å; F688-Y690 WeakPolarHBondContact O-CD1 3.4Å; F688-Y690 WeakPolarHBondContact O-CE1 3.15Å; F688-Y690 PolarHBondContact O-N 2.78Å; F688-F717 HydrophobicContact CE1-CD2 4.21Å; F688-F717 AromaticContact CE1-CE2 4Å; F688-F717 HydrophobicContact CE1-CE2 4Å; F688-F717 HydrophobicContact CZ-CD2 4.03Å; F688-F717 HydrophobicContact CZ-CE2 4.22Å; F688-V719 HydrophobicContact CE1-CG1 4.29Å; F688-V719 HydrophobicContact CZ-CG1 3.83Å; F688-H724 HydrophobicContact CD1-CB 3.8Å; F688-H724 AromaticContact CD1-CG 4Å; F688-H724 HydrophobicContact CD2-CB 4.39Å; F688-H724 AromaticContact CD2-CE1 3.63Å; F688-H724 AromaticContact CD2-CG 3.89Å; F688-H724 AromaticContact CD2-ND1 3.15Å; F688-H724 WeakPolarHBondContact CD2-ND1 3.46Å; F688-H724 HydrophobicContact CE1-CB 3.78Å; F688-H724 HydrophobicContact CE2-CB 4.37Å; F688-H724 AromaticContact CE2-ND1 3.43Å; F688-H724 WeakPolarHBondContact CE2-ND1 3.28Å; F688-H724 HydrophobicContact CG-CB 4.13Å; F688-H724 AromaticContact CG-CG 3.79Å; F688-H724 AromaticContact CG-ND1 3.53Å; F688-H724 HydrophobicContact CZ-CB 4.08Å; F688-E728 HydrophobicContact CD1-CG 4.17Å; F688-E728 HydrophobicContact CE1-CG 3.9Å
689	D	61	Low	51.9	Low	127 Å²	127	91.2 Å²	91.2	68%	0.679	54%	0.541	S	S	*	.			trans	-86.8	103.9	169	-178.1	6.9	0	0	0	109.4	S691	D689-S691 WeakPolarHBondContact OD1-CB 3.29Å; D689-S691 PolarHBondContact OD1-N 3.38Å; D689-S691 PolarHBondContact OD1-OG 2.82Å
690	Y	64.3	Low	54.7	Low	130 Å²	130	92.4 Å²	92.4	51%	0.51	52%	0.523	S	S	.	.			trans	-107	15.3	177.9	50.5	-92.4	0	0	0	112.4	F688 E692 Y693 V694	F688-Y690 HydrophobicContact CB-CD1 4.4Å; F688-Y690 WeakPolarHBondContact O-CD1 3.4Å; F688-Y690 WeakPolarHBondContact O-CE1 3.15Å; F688-Y690 PolarHBondContact O-N 2.78Å; Y690-E692 VanDerWaalsContact C-N 3.25Å; Y690-E692 PolarHBondContact O-N 3.29Å; Y690-Y693 CarbonylContact O-C 3.57Å; Y690-Y693 WeakPolarHBondContact O-CA 3.16Å; Y690-Y693 PolarHBondContact O-N 3.04Å; Y690-V694 HydrophobicContact CD2-CG2 4.06Å; Y690-V694 WeakPolarHBondContact O-CG2 3.43Å; Y690-V694 PolarHBondContact O-N 3.1Å; Y690-V694 VanDerWaalsContact O-N 3.17Å
691	S	62.9	Low	57.4	Low	67 Å²	67	88.6 Å²	88.6	47%	0.469	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-57	-34.6	-175.9	58.5	0	0	0	0	113.9	D689 Y693 K782	D689-S691 WeakPolarHBondContact OD1-CB 3.29Å; D689-S691 PolarHBondContact OD1-N 3.38Å; D689-S691 PolarHBondContact OD1-OG 2.82Å; S691-Y693 VanDerWaalsContact C-N 3.25Å; S691-Y693 PolarHBondContact O-N 3.49Å; S691-K782 PolarHBondContact O-NZ 2.85Å
692	E	59.1	Low	59.9	Low	111 Å²	111	81.8 Å²	81.8	52%	0.519	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-68.8	-20.2	175.5	-167.4	176.6	175.3	0	0	113.2	Y690 K782	Y690-E692 VanDerWaalsContact C-N 3.25Å; Y690-E692 PolarHBondContact O-N 3.29Å; E692-K782 WeakPolarHBondContact O-CB 3.47Å; E692-K782 PolarHBondContact O-N 3.26Å
693	Y	61.9	Low	62	Low	24 Å²	24	81 Å²	81	9%	0.094	47%	0.469	C	S	.	.	G	3₁₀ helix	trans	-115.6	3	-173.2	-62.5	-90.8	0	0	0	114.1	Y690 S691 G695 G696 V727 C779 R781	Y690-Y693 CarbonylContact O-C 3.57Å; Y690-Y693 WeakPolarHBondContact O-CA 3.16Å; Y690-Y693 PolarHBondContact O-N 3.04Å; S691-Y693 VanDerWaalsContact C-N 3.25Å; S691-Y693 PolarHBondContact O-N 3.49Å; Y693-G695 PolarHBondContact O-N 3Å; Y693-G696 PolarHBondContact O-N 3.23Å; Y693-V727 HydrophobicContact CD2-CG1 3.83Å; Y693-V727 HydrophobicContact CE2-CG1 3.91Å; Y693-V727 HydrophobicContact CG-CG1 4.37Å; Y693-V727 HydrophobicContact CG-CG2 4.44Å; Y693-C779 HydrophobicContact CD1-CB 4.4Å; Y693-R781 HydrophobicContact CD1-CG 4.22Å; Y693-R781 HydrophobicContact CE1-CG 3.65Å
694	V	43.5	Very low	64.3	Low	77 Å²	77	84 Å²	84	47%	0.467	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	104.6	-175.5	-172.4	0	0	0	0	111	Y690 K782	Y690-V694 HydrophobicContact CD2-CG2 4.06Å; Y690-V694 WeakPolarHBondContact O-CG2 3.43Å; Y690-V694 PolarHBondContact O-N 3.1Å; Y690-V694 VanDerWaalsContact O-N 3.17Å; V694-K782 WeakPolarHBondContact O-CE 3.46Å
695	G	43.5	Very low	66.3	Low	81 Å²	81	82.8 Å²	82.8	84%	0.835	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.8	-2.2	177.9	0	0	0	0	0	115.4	Y693	Y693-G695 PolarHBondContact O-N 3Å
696	G	52.8	Low	67.8	Low	24 Å²	24	80.4 Å²	80.4	25%	0.247	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-80	118.8	173.6	0	0	0	0	0	111.2	Y693 A780	Y693-G696 PolarHBondContact O-N 3.23Å; G696-A780 WeakPolarHBondContact CA-O 3.44Å
697	S	69.6	Low	69.1	Low	93 Å²	93	75 Å²	75	65%	0.65	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-62.3	138.8	168.1	47.8	0	0	0	0	109.8	A780	S697-A780 PolarHBondContact O-N 3.31Å; S697-A780 VanDerWaalsContact O-N 3.09Å
698	C	80.3	Confident	70.6	Confident	27 Å²	27	69.3 Å²	69.3	18%	0.182	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	139.7	165.3	-56.9	0	0	0	0	109.4	F726 S778 C779	C698-F726 HydrophobicContact CB-CD2 4.38Å; C698-S778 CarbonylContact C-O 3.5Å; C698-S778 WeakPolarHBondContact CA-O 3.32Å; C698-S778 WeakPolarHBondContact CB-O 3.5Å; C698-C779 HydrophobicContact CB-CB 4.08Å; C698-C779 WeakPolarHBondContact CB-SG 2.79Å; C698-C779 WeakPolarHBondContact SG-CB 3.45Å; C698-C779 CovalentContact SG-SG 2.05Å; C698-C779 PolarHBondContact SG-SG 3.21Å
699	T	80.8	Confident	71.6	Confident	90 Å²	90	70.2 Å²	70.2	55%	0.552	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	140.8	168.5	57.8	0	0	0	0	109.1	I777 S778	T699-I777 WeakPolarHBondContact O-CA 3.5Å; T699-S778 PolarHBondContact N-O 2.9Å; T699-S778 PolarHBondContact O-N 3.17Å
700	Y	87.8	Confident	72.2	Confident	100 Å²	100	64.9 Å²	64.9	39%	0.392	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	159.5	178.3	56.9	-90.3	0	0	0	109.4	A702 F726 F774	Y700-A702 HydrophobicContact CD2-CB 3.95Å; Y700-A702 HydrophobicContact CE2-CB 3.9Å; Y700-F726 HydrophobicContact CD1-CD2 4.41Å; Y700-F726 AromaticContact CD1-CE2 3.85Å; Y700-F726 HydrophobicContact CD1-CE2 3.85Å; Y700-F726 AromaticContact CD1-CZ 3.97Å; Y700-F726 HydrophobicContact CD1-CZ 3.97Å; Y700-F726 HydrophobicContact CE1-CD2 4.44Å; Y700-F726 AromaticContact CE1-CE2 3.6Å; Y700-F726 HydrophobicContact CE1-CE2 3.6Å; Y700-F726 AromaticContact CE1-CZ 3.86Å; Y700-F726 HydrophobicContact CE1-CZ 3.86Å; Y700-F726 HydrophobicContact CE2-CZ 4.41Å; Y700-F726 HydrophobicContact CG-CZ 4.3Å; Y700-F774 AromaticContact CD2-CD1 3.59Å; Y700-F774 HydrophobicContact CD2-CD1 3.59Å; Y700-F774 AromaticContact CD2-CE1 3.93Å; Y700-F774 HydrophobicContact CD2-CE1 3.93Å; Y700-F774 AromaticContact CE2-CD1 3.89Å; Y700-F774 HydrophobicContact CE2-CD1 3.89Å; Y700-F774 AromaticContact CE2-CE1 3.71Å; Y700-F774 HydrophobicContact CE2-CE1 3.71Å; Y700-F774 HydrophobicContact CG-CD1 4.29Å
701	S	81.3	Confident	72.5	Confident	74 Å²	74	64.6 Å²	64.6	52%	0.517	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	139.3	162.3	-64.6	0	0	0	0	108.3	F774 E775	S701-F774 CarbonylContact O-C 3.4Å; S701-F774 WeakPolarHBondContact O-CA 3.07Å; S701-E775 PolarHBondContact N-O 3.22Å; S701-E775 PolarHBondContact O-N 2.91Å
702	A	85.8	Confident	73.5	Confident	31 Å²	31	65.3 Å²	65.3	26%	0.256	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	135.5	-178.7	0	0	0	0	0	111.1	Y700 Y704 V772 Y773 F774	Y700-A702 HydrophobicContact CD2-CB 3.95Å; Y700-A702 HydrophobicContact CE2-CB 3.9Å; A702-Y704 HydrophobicContact CB-CE2 4.08Å; A702-V772 HydrophobicContact CB-CG1 4.02Å; A702-Y773 CarbonylContact C-O 3.54Å; A702-Y773 VanDerWaalsContact CA-O 3.3Å; A702-Y773 WeakPolarHBondContact CA-O 3.36Å; A702-F774 HydrophobicContact CB-CD1 3.7Å; A702-F774 HydrophobicContact CB-CE1 3.77Å
703	F	76.8	Confident	74.8	Confident	97 Å²	97	64.1 Å²	64.1	43%	0.425	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	110.6	165.1	-65.7	-92.3	0	0	0	107.4	A706 V772 Y773	F703-A706 HydrophobicContact CB-CB 3.67Å; F703-V772 WeakPolarHBondContact O-CA 3.32Å; F703-Y773 HydrophobicContact CB-CD1 4.07Å; F703-Y773 AromaticContact CD2-CD1 3.46Å; F703-Y773 HydrophobicContact CD2-CD1 3.46Å; F703-Y773 VanDerWaalsContact CD2-CD1 3.46Å; F703-Y773 AromaticContact CD2-CE1 3.78Å; F703-Y773 HydrophobicContact CD2-CE1 3.78Å; F703-Y773 HydrophobicContact CE2-CD1 4.25Å; F703-Y773 HydrophobicContact CE2-CE1 4.12Å; F703-Y773 HydrophobicContact CG-CD1 4.08Å; F703-Y773 PolarHBondContact N-O 2.61Å; F703-Y773 PolarHBondContact O-N 2.84Å
704	Y	83.6	Confident	76	Confident	153 Å²	153	66.3 Å²	66.3	60%	0.6	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	150.7	177.3	-67.8	-87.1	0	0	0	110.8	A702 A706 V772	A702-Y704 HydrophobicContact CB-CE2 4.08Å; Y704-A706 PolarHBondContact O-N 2.86Å; Y704-V772 HydrophobicContact CD1-CB 4.5Å; Y704-V772 HydrophobicContact CD1-CG1 3.98Å; Y704-V772 HydrophobicContact CD1-CG2 3.67Å; Y704-V772 HydrophobicContact CE1-CG1 4.12Å; Y704-V772 HydrophobicContact CE1-CG2 4.09Å; Y704-V772 HydrophobicContact CG-CG1 4.42Å
705	D	81.5	Confident	78.1	Confident	78 Å²	78	64.6 Å²	64.6	42%	0.417	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	35.3	-173.4	-60.6	-42.6	0	0	0	112.2	F767 H768 K769 G770 S771	D705-F767 CarbonylContact O-C 3.33Å; D705-F767 VanDerWaalsContact O-C 3.28Å; D705-F767 WeakPolarHBondContact O-CA 3Å; D705-F767 WeakPolarHBondContact O-CB 3.38Å; D705-F767 WeakPolarHBondContact O-CD1 3.39Å; D705-H768 CarbonylContact C-O 3.07Å; D705-H768 VanDerWaalsContact C-O 3.28Å; D705-H768 WeakPolarHBondContact CA-O 3.42Å; D705-H768 PolarHBondContact O-N 3.29Å; D705-K769 WeakPolarHBondContact OD1-CA 3.45Å; D705-G770 PolarHBondContact OD1-N 3.14Å; D705-S771 WeakPolarHBondContact CA-O 3.49Å; D705-S771 PolarHBondContact N-O 3.39Å
706	A	78.4	Confident	80.3	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.349	C	S	.	.			trans	-132.4	145.4	-177.4	0	0	0	0	0	110.4	F703 Y704 I765 T766 F767 S771 V772 Y773	F703-A706 HydrophobicContact CB-CB 3.67Å; Y704-A706 PolarHBondContact O-N 2.86Å; A706-I765 HydrophobicContact CB-CG2 3.72Å; A706-T766 CarbonylContact C-O 3.34Å; A706-T766 VanDerWaalsContact CA-O 3.24Å; A706-T766 WeakPolarHBondContact CA-O 3.14Å; A706-F767 HydrophobicContact CB-CD1 4.14Å; A706-F767 HydrophobicContact CB-CE1 4.28Å; A706-S771 PolarHBondContact N-O 2.92Å; A706-S771 PolarHBondContact N-OG 3.34Å; A706-S771 CarbonylContact O-C 3.54Å; A706-S771 WeakPolarHBondContact O-CB 3.21Å; A706-S771 PolarHBondContact O-OG 3.29Å; A706-V772 CarbonylContact O-C 3.52Å; A706-V772 PolarHBondContact O-N 2.05Å; A706-Y773 PolarHBondContact O-N 2.86Å
707	E	83	Confident	81.9	Confident	34 Å²	34	65.4 Å²	65.4	16%	0.159	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	122.4	178.5	-169.7	174.4	173.5	0	0	108.8	N738 V740 T766 H768	E707-N738 HydrophobicContact CG-CB 4.06Å; E707-N738 WeakPolarHBondContact CG-ND2 3.45Å; E707-V740 HydrophobicContact CG-CG2 4.41Å; E707-T766 PolarHBondContact N-O 3.04Å; E707-T766 PolarHBondContact O-N 3.03Å; E707-T766 PolarHBondContact O-OG1 3.25Å; E707-H768 IonicContact OE2-CD2 2.76Å
708	F	85.1	Confident	82.6	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	117.6	176.2	171.3	-117.4	0	0	0	111	G710 S736 N738 Y752 D754 A756 Y759 M764 Y773	F708-G710 VanDerWaalsContact C-N 3.26Å; F708-G710 PolarHBondContact O-N 3.5Å; F708-S736 VanDerWaalsContact CD1-OG 3.31Å; F708-S736 WeakPolarHBondContact CD1-OG 3.33Å; F708-S736 WeakPolarHBondContact CE1-OG 3.41Å; F708-N738 WeakPolarHBondContact CB-OD1 3.38Å; F708-N738 PolarHBondContact N-ND2 3.02Å; F708-N738 PolarHBondContact N-OD1 3.5Å; F708-N738 PolarHBondContact O-ND2 3.36Å; F708-Y752 HydrophobicContact CD1-CD1 4.31Å; F708-Y752 AromaticContact CD1-CD2 3.95Å; F708-Y752 HydrophobicContact CD1-CD2 3.95Å; F708-Y752 HydrophobicContact CD1-CE2 4.39Å; F708-Y752 AromaticContact CD1-CG 3.9Å; F708-Y752 HydrophobicContact CD1-CG 3.9Å; F708-Y752 HydrophobicContact CE1-CD1 4.15Å; F708-Y752 HydrophobicContact CE1-CD2 4.45Å; F708-Y752 AromaticContact CE1-CG 3.93Å; F708-Y752 HydrophobicContact CE1-CG 3.93Å; F708-Y752 PolarHBondContact O-OH 3.29Å; F708-D754 WeakPolarHBondContact CE1-O 3.47Å; F708-D754 HydrophobicContact CZ-CB 4.47Å; F708-A756 HydrophobicContact CD2-CB 3.86Å; F708-A756 VanDerWaalsContact CE2-CA 3.46Å; F708-A756 HydrophobicContact CE2-CB 4.03Å; F708-Y759 AromaticContact CE2-CD2 3.88Å; F708-Y759 HydrophobicContact CE2-CD2 3.88Å; F708-Y759 AromaticContact CE2-CE2 3.97Å; F708-Y759 HydrophobicContact CE2-CE2 3.97Å; F708-Y759 AromaticContact CZ-CD2 4Å; F708-Y759 HydrophobicContact CZ-CD2 4Å; F708-Y759 AromaticContact CZ-CE2 3.65Å; F708-Y759 HydrophobicContact CZ-CE2 3.65Å; F708-M764 CarbonylContact C-O 3.56Å; F708-M764 VanDerWaalsContact CA-O 3.29Å; F708-M764 WeakPolarHBondContact CA-O 3.41Å; F708-M764 HydrophobicContact CD2-CB 4.19Å; F708-M764 WeakPolarHBondContact CD2-O 3.45Å; F708-M764 HydrophobicContact CE2-CB 4.02Å; F708-Y773 HydrophobicContact CB-CD1 4.42Å; F708-Y773 HydrophobicContact CB-CD2 3.16Å; F708-Y773 HydrophobicContact CB-CE2 3.19Å; F708-Y773 HydrophobicContact CB-CG 3.81Å; F708-Y773 HydrophobicContact CD1-CD2 4.45Å; F708-Y773 AromaticContact CD1-CE2 3.77Å; F708-Y773 HydrophobicContact CD1-CE2 3.77Å; F708-Y773 HydrophobicContact CD2-CE2 4.36Å; F708-Y773 HydrophobicContact CG-CD2 4.05Å; F708-Y773 AromaticContact CG-CE2 3.54Å; F708-Y773 HydrophobicContact CG-CE2 3.54Å
709	S	80.3	Confident	82.6	Confident	56 Å²	56	60.6 Å²	60.6	39%	0.392	31%	0.307	S	S	.	.			trans	-89.2	60.6	174.4	-68.1	0	0	0	0	110.7	M764	S709-M764 PolarHBondContact N-O 2.94Å
710	G	73.5	Confident	82.5	Confident	15 Å²	15	62.2 Å²	62.2	16%	0.155	31%	0.308	C	S	.	.			trans	-62.1	158.4	176.1	0	0	0	0	0	112.8	F708 Y752	F708-G710 VanDerWaalsContact C-N 3.26Å; F708-G710 PolarHBondContact O-N 3.5Å; G710-Y752 WeakPolarHBondContact O-CE1 3.48Å
711	R	72.2	Confident	82.1	Confident	124 Å²	124	62 Å²	62	47%	0.468	31%	0.313	S	S	.	.	S	Bend	trans	-90.8	-15.5	177.8	-61.9	177.8	-179.8	166	0.4	112.5	R276 D754 Y759	R276-R711 VanDerWaalsContact NH2-CZ 3.32Å; R711-D754 PolarHBondContact N-OD2 2.62Å; R711-Y759 VanDerWaalsContact CB-OH 3.31Å; R711-Y759 WeakPolarHBondContact CB-OH 3.46Å; R711-Y759 HydrophobicContact CG-CE1 4.15Å; R711-Y759 VanDerWaalsContact CG-OH 3.31Å; R711-Y759 WeakPolarHBondContact CG-OH 3.37Å; R711-Y759 PolarHBondContact N-OH 3.15Å
712	N	83.5	Confident	82.3	Confident	83 Å²	83	60.5 Å²	60.5	44%	0.444	30%	0.301	S	S	.	.			trans	-114.2	66.7	-176.2	-169.2	14.9	0	0	0	111.5	L714 Y752 G753 D754	N712-L714 PolarHBondContact O-N 3.08Å; N712-Y752 CarbonylContact O-C 3.59Å; N712-Y752 VanDerWaalsContact O-CA 3.31Å; N712-Y752 WeakPolarHBondContact O-CA 3.06Å; N712-G753 PolarHBondContact O-N 2.9Å; N712-D754 HydrophobicContact CB-CB 4.31Å; N712-D754 PolarHBondContact N-OD1 2.88Å; N712-D754 PolarHBondContact N-OD2 3.01Å
713	L	86.2	Confident	82.1	Confident	85 Å²	85	63 Å²	63	45%	0.445	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	117.3	172.5	-176.3	72.5	0	0	0	109.7	Y750 L751 Y752	L713-Y750 HydrophobicContact CD1-CD1 4.15Å; L713-L751 CarbonylContact C-O 3.6Å; L713-L751 WeakPolarHBondContact CD1-O 3.31Å; L713-Y752 HydrophobicContact CB-CD1 4.24Å; L713-Y752 HydrophobicContact CB-CE1 3.93Å; L713-Y752 HydrophobicContact CD1-CD1 4.25Å; L713-Y752 HydrophobicContact CD1-CD2 4.49Å; L713-Y752 HydrophobicContact CD1-CE1 3.77Å; L713-Y752 HydrophobicContact CD1-CE2 4.05Å; L713-Y752 HydrophobicContact CG-CE1 4.47Å
714	L	86.2	Confident	82.6	Confident	70 Å²	70	59.4 Å²	59.4	37%	0.366	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-41.7	178.9	-59.1	179.2	0	0	0	112.5	N712 C734 L751	N712-L714 PolarHBondContact O-N 3.08Å; L714-C734 HydrophobicContact CD1-CB 3.76Å; L714-L751 HydrophobicContact CB-CB 4.31Å; L714-L751 PolarHBondContact N-O 2.68Å
715	D	88.5	Confident	82.8	Confident	41 Å²	41	52.1 Å²	52.1	22%	0.219	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	156.2	-176.2	-152.9	-15	0	0	0	110.7	F717 R732 L751	D715-F717 HydrophobicContact CB-CD1 4.23Å; D715-F717 HydrophobicContact CB-CE1 4.13Å; D715-R732 IonicContact OD2-CZ 3.37Å; D715-R732 IonicContact OD2-NE 3.17Å; D715-R732 PolarHBondContact OD2-NE 3.1Å; D715-R732 IonicContact OD2-NH2 3.68Å; D715-R732 PolarHBondContact OD2-NH2 3.02Å; D715-L751 HydrophobicContact CB-CD1 4.35Å; D715-L751 PolarHBondContact N-O 2.86Å; D715-L751 PolarHBondContact O-N 2.63Å
716	K	89.7	Confident	83.3	Confident	103 Å²	103	48.9 Å²	48.9	45%	0.448	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	125.9	174.4	175.3	-169.9	178.5	165.5	0	109.6	H748 C749 Y750	K716-H748 WeakPolarHBondContact CE-CD2 3.4Å; K716-C749 WeakPolarHBondContact CA-O 3.32Å; K716-Y750 HydrophobicContact CB-CD1 4.08Å; K716-Y750 HydrophobicContact CB-CE1 4.4Å; K716-Y750 HydrophobicContact CD-CD1 3.86Å; K716-Y750 HydrophobicContact CD-CE1 3.3Å; K716-Y750 VanDerWaalsContact CE-CZ 3.47Å; K716-Y750 VanDerWaalsContact CE-OH 3.22Å; K716-Y750 WeakPolarHBondContact CE-OH 3.04Å; K716-Y750 HydrophobicContact CG-CD1 3.72Å; K716-Y750 HydrophobicContact CG-CE1 3.63Å; K716-Y750 HydrophobicContact CG-CG 4.4Å; K716-Y750 PolarHBondContact NZ-OH 3.22Å
717	F	86	Confident	83.7	Confident	20 Å²	20	49.4 Å²	49.4	9%	0.088	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	163.6	179.2	50.3	-88.7	0	0	0	112.5	F688 D715 V719 E728 C749 L751	F688-F717 HydrophobicContact CE1-CD2 4.21Å; F688-F717 AromaticContact CE1-CE2 4Å; F688-F717 HydrophobicContact CE1-CE2 4Å; F688-F717 HydrophobicContact CZ-CD2 4.03Å; F688-F717 HydrophobicContact CZ-CE2 4.22Å; D715-F717 HydrophobicContact CB-CD1 4.23Å; D715-F717 HydrophobicContact CB-CE1 4.13Å; F717-V719 HydrophobicContact CD2-CG1 3.63Å; F717-V719 HydrophobicContact CE2-CG1 3.44Å; F717-V719 VanDerWaalsContact CE2-CG1 3.44Å; F717-E728 HydrophobicContact CE1-CB 4.23Å; F717-E728 HydrophobicContact CE2-CB 4.12Å; F717-E728 HydrophobicContact CE2-CG 3.93Å; F717-E728 HydrophobicContact CZ-CB 3.44Å; F717-E728 VanDerWaalsContact CZ-CB 3.44Å; F717-E728 HydrophobicContact CZ-CG 3.72Å; F717-C749 HydrophobicContact CD2-CB 4.32Å; F717-C749 HydrophobicContact CE2-CB 3.92Å; F717-C749 HydrophobicContact CZ-CB 4.15Å; F717-C749 PolarHBondContact N-O 2.5Å; F717-C749 PolarHBondContact O-N 3.35Å; F717-L751 HydrophobicContact CE1-CD1 3.69Å; F717-L751 HydrophobicContact CE1-CG 3.99Å; F717-L751 HydrophobicContact CZ-CD1 3.91Å; F717-L751 HydrophobicContact CZ-CG 4.19Å
718	L	83.9	Confident	83.9	Confident	18 Å²	18	48.8 Å²	48.8	9%	0.094	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	135.4	175.9	-69.9	178.6	0	0	0	111.6	L683 F746 H748	L683-L718 HydrophobicContact CB-CD1 3.79Å; L683-L718 HydrophobicContact CD1-CD1 3.87Å; L683-L718 HydrophobicContact CD2-CD1 3.56Å; L683-L718 HydrophobicContact CG-CD1 3.93Å; L718-F746 HydrophobicContact CD2-CB 4.05Å; L718-H748 VanDerWaalsContact CD2-CE1 3.45Å; L718-H748 WeakPolarHBondContact CD2-CE1 3.43Å; L718-H748 WeakPolarHBondContact CD2-NE2 3.38Å
719	V	81.6	Confident	84.2	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	148	173.9	-60	0	0	0	0	110.9	F688 F717 H724 L739 K747 C749	F688-V719 HydrophobicContact CE1-CG1 4.29Å; F688-V719 HydrophobicContact CZ-CG1 3.83Å; F717-V719 HydrophobicContact CD2-CG1 3.63Å; F717-V719 HydrophobicContact CE2-CG1 3.44Å; F717-V719 VanDerWaalsContact CE2-CG1 3.44Å; V719-H724 HydrophobicContact CB-CB 3.92Å; V719-H724 HydrophobicContact CG1-CB 3.71Å; V719-L739 HydrophobicContact CG2-CD1 3.42Å; V719-L739 VanDerWaalsContact CG2-CD1 3.42Å; V719-K747 HydrophobicContact CG2-CB 3.9Å; V719-K747 WeakPolarHBondContact CG2-O 3.36Å; V719-K747 PolarHBondContact N-O 2.86Å; V719-K747 PolarHBondContact O-N 2.81Å; V719-C749 HydrophobicContact CG1-CB 3.81Å; V719-C749 HydrophobicContact CG2-CB 4.11Å
720	Q	77.1	Confident	84.7	Confident	124 Å²	124	47.3 Å²	47.3	58%	0.579	24%	0.237	S	C	*	.	S	Bend	trans	-87.6	-33.7	172.2	-66	179.1	-8.1	0	0	111.3	T685	T685-Q720 HydrophobicContact CG2-CG 4.47Å
721	L	80.5	Confident	85.2	Confident	96 Å²	96	53.2 Å²	53.2	50%	0.503	26%	0.259	S	S	.	.	S	Bend	trans	-126.8	144.6	-178.1	-65.1	171.7	0	0	0	110.6	L723 H724	L721-L723 PolarHBondContact O-N 3.2Å; L721-H724 WeakPolarHBondContact O-CB 3.44Å; L721-H724 PolarHBondContact O-N 2.82Å; L721-H724 VanDerWaalsContact O-N 3.09Å
722	P	84.2	Confident	86	Confident	41 Å²	41	51 Å²	51	27%	0.266	25%	0.25	S	S	.	.	H	α-helix	trans	-54	-35.8	173.4	-23.9	31.8	0	0	0	113.1	H724 C725 F726 L739	P722-H724 PolarHBondContact O-N 2.75Å; P722-H724 VanDerWaalsContact O-N 3.15Å; P722-C725 WeakPolarHBondContact O-CA 3.43Å; P722-C725 WeakPolarHBondContact O-CB 3.44Å; P722-C725 PolarHBondContact O-N 2.81Å; P722-F726 HydrophobicContact CB-CE2 4.28Å; P722-F726 HydrophobicContact CB-CZ 4.17Å; P722-F726 PolarHBondContact O-N 3.32Å; P722-L739 HydrophobicContact CB-CD2 3.71Å; P722-L739 HydrophobicContact CG-CD2 3.69Å
723	L	83.4	Confident	86.3	Confident	85 Å²	85	53.7 Å²	53.7	45%	0.445	27%	0.265	S	S	.	.	H	α-helix	trans	-55.3	-33.7	178.7	-176	63.3	0	0	0	112.9	L721 C725 F726 V727	L721-L723 PolarHBondContact O-N 3.2Å; L723-C725 VanDerWaalsContact C-N 3.29Å; L723-C725 PolarHBondContact O-N 3.43Å; L723-F726 HydrophobicContact CD1-CD2 4.39Å; L723-F726 PolarHBondContact O-N 2.98Å; L723-V727 HydrophobicContact CD1-CG2 4.46Å; L723-V727 HydrophobicContact CG-CG2 4.49Å; L723-V727 WeakPolarHBondContact O-CG2 3.31Å; L723-V727 PolarHBondContact O-N 3.23Å
724	H	85.8	Confident	86.6	Confident	21 Å²	21	50.3 Å²	50.3	10%	0.097	25%	0.248	C	C	.	.	H	α-helix	trans	-64.8	-36.8	177	-62	-175.9	0	0	0	111.4	F688 V719 L721 P722 F726 E728	F688-H724 HydrophobicContact CD1-CB 3.8Å; F688-H724 AromaticContact CD1-CG 4Å; F688-H724 HydrophobicContact CD2-CB 4.39Å; F688-H724 AromaticContact CD2-CE1 3.63Å; F688-H724 AromaticContact CD2-CG 3.89Å; F688-H724 AromaticContact CD2-ND1 3.15Å; F688-H724 WeakPolarHBondContact CD2-ND1 3.46Å; F688-H724 HydrophobicContact CE1-CB 3.78Å; F688-H724 HydrophobicContact CE2-CB 4.37Å; F688-H724 AromaticContact CE2-ND1 3.43Å; F688-H724 WeakPolarHBondContact CE2-ND1 3.28Å; F688-H724 HydrophobicContact CG-CB 4.13Å; F688-H724 AromaticContact CG-CG 3.79Å; F688-H724 AromaticContact CG-ND1 3.53Å; F688-H724 HydrophobicContact CZ-CB 4.08Å; V719-H724 HydrophobicContact CB-CB 3.92Å; V719-H724 HydrophobicContact CG1-CB 3.71Å; L721-H724 WeakPolarHBondContact O-CB 3.44Å; L721-H724 PolarHBondContact O-N 2.82Å; L721-H724 VanDerWaalsContact O-N 3.09Å; P722-H724 PolarHBondContact O-N 2.75Å; P722-H724 VanDerWaalsContact O-N 3.15Å; H724-F726 VanDerWaalsContact C-N 3.35Å; H724-E728 WeakPolarHBondContact O-CB 3.37Å; H724-E728 WeakPolarHBondContact O-CG 3.48Å; H724-E728 PolarHBondContact O-N 3.15Å; H724-E728 VanDerWaalsContact O-N 3.15Å
725	C	89	Confident	86.8	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.4	-41.6	176	-165.1	0	0	0	0	110.8	P722 L723 C729 L739 C749	P722-C725 WeakPolarHBondContact O-CA 3.43Å; P722-C725 WeakPolarHBondContact O-CB 3.44Å; P722-C725 PolarHBondContact O-N 2.81Å; L723-C725 VanDerWaalsContact C-N 3.29Å; L723-C725 PolarHBondContact O-N 3.43Å; C725-C729 VanDerWaalsContact O-CB 3.29Å; C725-C729 WeakPolarHBondContact O-CB 3.41Å; C725-C729 PolarHBondContact O-N 3.18Å; C725-L739 HydrophobicContact CB-CD1 4.4Å; C725-C749 WeakPolarHBondContact CA-SG 3.45Å; C725-C749 HydrophobicContact CB-CB 3.71Å; C725-C749 WeakPolarHBondContact CB-SG 3.41Å; C725-C749 WeakPolarHBondContact SG-CB 3.18Å; C725-C749 CovalentContact SG-SG 2.03Å; C725-C749 PolarHBondContact SG-SG 3.26Å
726	F	90.5	Very high	87	Confident	9 Å²	9	51 Å²	51	4%	0.039	24%	0.243	C	C	.	.	H	α-helix	trans	-67.4	-45	179.6	-54.1	-27	0	0	0	113.1	C698 Y700 P722 L723 H724 C729 V730 F774 I777	C698-F726 HydrophobicContact CB-CD2 4.38Å; Y700-F726 HydrophobicContact CD1-CD2 4.41Å; Y700-F726 AromaticContact CD1-CE2 3.85Å; Y700-F726 HydrophobicContact CD1-CE2 3.85Å; Y700-F726 AromaticContact CD1-CZ 3.97Å; Y700-F726 HydrophobicContact CD1-CZ 3.97Å; Y700-F726 HydrophobicContact CE1-CD2 4.44Å; Y700-F726 AromaticContact CE1-CE2 3.6Å; Y700-F726 HydrophobicContact CE1-CE2 3.6Å; Y700-F726 AromaticContact CE1-CZ 3.86Å; Y700-F726 HydrophobicContact CE1-CZ 3.86Å; Y700-F726 HydrophobicContact CE2-CZ 4.41Å; Y700-F726 HydrophobicContact CG-CZ 4.3Å; P722-F726 HydrophobicContact CB-CE2 4.28Å; P722-F726 HydrophobicContact CB-CZ 4.17Å; P722-F726 PolarHBondContact O-N 3.32Å; L723-F726 HydrophobicContact CD1-CD2 4.39Å; L723-F726 PolarHBondContact O-N 2.98Å; H724-F726 VanDerWaalsContact C-N 3.35Å; F726-C729 WeakPolarHBondContact O-CB 3.31Å; F726-C729 PolarHBondContact O-N 2.93Å; F726-V730 WeakPolarHBondContact O-CG2 3.49Å; F726-V730 PolarHBondContact O-N 3.4Å; F726-F774 HydrophobicContact CE1-CB 4.25Å; F726-F774 AromaticContact CE1-CD1 3.78Å; F726-F774 HydrophobicContact CE1-CD1 3.78Å; F726-F774 AromaticContact CE1-CD2 3.64Å; F726-F774 HydrophobicContact CE1-CD2 3.64Å; F726-F774 AromaticContact CE1-CE1 3.93Å; F726-F774 HydrophobicContact CE1-CE1 3.93Å; F726-F774 AromaticContact CE1-CE2 3.75Å; F726-F774 HydrophobicContact CE1-CE2 3.75Å; F726-F774 AromaticContact CE1-CG 3.63Å; F726-F774 HydrophobicContact CE1-CG 3.63Å; F726-F774 AromaticContact CE1-CZ 3.91Å; F726-F774 HydrophobicContact CE1-CZ 3.91Å; F726-F774 AromaticContact CZ-CD1 3.93Å; F726-F774 HydrophobicContact CZ-CD1 3.93Å; F726-F774 HydrophobicContact CZ-CD2 4.33Å; F726-F774 AromaticContact CZ-CE1 3.68Å; F726-F774 HydrophobicContact CZ-CE1 3.68Å; F726-F774 HydrophobicContact CZ-CE2 4.06Å; F726-F774 HydrophobicContact CZ-CG 4.24Å; F726-F774 AromaticContact CZ-CZ 3.75Å; F726-F774 HydrophobicContact CZ-CZ 3.75Å; F726-I777 HydrophobicContact CB-CG2 3.8Å; F726-I777 HydrophobicContact CD1-CD1 4.09Å; F726-I777 HydrophobicContact CD1-CG1 4.34Å; F726-I777 HydrophobicContact CD1-CG2 4.1Å; F726-I777 HydrophobicContact CG-CG2 4.16Å
727	V	86.9	Confident	87.2	Confident	12 Å²	12	46 Å²	46	7%	0.073	22%	0.221	C	C	.	.	H	α-helix	trans	-63.1	-44.9	178.7	172.8	0	0	0	0	110.7	Y693 L723 C729 V730 K731	Y693-V727 HydrophobicContact CD2-CG1 3.83Å; Y693-V727 HydrophobicContact CE2-CG1 3.91Å; Y693-V727 HydrophobicContact CG-CG1 4.37Å; Y693-V727 HydrophobicContact CG-CG2 4.44Å; L723-V727 HydrophobicContact CD1-CG2 4.46Å; L723-V727 HydrophobicContact CG-CG2 4.49Å; L723-V727 WeakPolarHBondContact O-CG2 3.31Å; L723-V727 PolarHBondContact O-N 3.23Å; V727-C729 VanDerWaalsContact C-N 3.34Å; V727-C729 PolarHBondContact O-N 2.66Å; V727-V730 PolarHBondContact O-N 2.98Å; V727-K731 WeakPolarHBondContact O-CB 3.41Å; V727-K731 PolarHBondContact O-N 3.07Å
728	E	88.6	Confident	87.6	Confident	21 Å²	21	45.1 Å²	45.1	10%	0.098	22%	0.217	C	C	.	.	H	α-helix	trans	-68.1	-34.4	178.3	-71.1	-67.8	104.3	0	0	112.4	F688 F717 H724 R732 L751	F688-E728 HydrophobicContact CD1-CG 4.17Å; F688-E728 HydrophobicContact CE1-CG 3.9Å; F717-E728 HydrophobicContact CE1-CB 4.23Å; F717-E728 HydrophobicContact CE2-CB 4.12Å; F717-E728 HydrophobicContact CE2-CG 3.93Å; F717-E728 HydrophobicContact CZ-CB 3.44Å; F717-E728 VanDerWaalsContact CZ-CB 3.44Å; F717-E728 HydrophobicContact CZ-CG 3.72Å; H724-E728 WeakPolarHBondContact O-CB 3.37Å; H724-E728 WeakPolarHBondContact O-CG 3.48Å; H724-E728 PolarHBondContact O-N 3.15Å; H724-E728 VanDerWaalsContact O-N 3.15Å; E728-R732 WeakPolarHBondContact O-CB 3.48Å; E728-R732 PolarHBondContact O-N 2.97Å; E728-R732 VanDerWaalsContact O-N 3.11Å; E728-R732 IonicContact OE1-NH1 2.81Å; E728-R732 IonicContact OE2-CZ 3.94Å; E728-R732 IonicContact OE2-NH1 3.93Å; E728-R732 PolarHBondContact OE2-NH1 2.55Å; E728-R732 IonicContact OE2-NH2 3.25Å; E728-R732 PolarHBondContact OE2-NH2 2.82Å; E728-L751 HydrophobicContact CB-CD1 4.08Å
729	C	91.3	Very high	87.9	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-57.6	-54.4	170.3	174	0	0	0	0	111.3	C725 F726 V727 K731 R732 N733 C734 L751 I777	C725-C729 VanDerWaalsContact O-CB 3.29Å; C725-C729 WeakPolarHBondContact O-CB 3.41Å; C725-C729 PolarHBondContact O-N 3.18Å; F726-C729 WeakPolarHBondContact O-CB 3.31Å; F726-C729 PolarHBondContact O-N 2.93Å; V727-C729 VanDerWaalsContact C-N 3.34Å; V727-C729 PolarHBondContact O-N 2.66Å; C729-K731 VanDerWaalsContact C-N 3.32Å; C729-K731 PolarHBondContact O-N 3.18Å; C729-R732 CarbonylContact O-C 3.55Å; C729-R732 PolarHBondContact O-N 2.95Å; C729-R732 VanDerWaalsContact O-N 3.14Å; C729-N733 PolarHBondContact O-N 2.79Å; C729-C734 VanDerWaalsContact CA-SG 3.58Å; C729-C734 HydrophobicContact CB-CB 3.93Å; C729-C734 WeakPolarHBondContact CB-SG 3.49Å; C729-C734 PolarHBondContact O-N 2.84Å; C729-C734 WeakPolarHBondContact SG-CB 3.43Å; C729-C734 PolarHBondContact SG-O 3.48Å; C729-C734 CovalentContact SG-SG 2.01Å; C729-C734 PolarHBondContact SG-SG 3.38Å; C729-L751 HydrophobicContact CB-CD2 3.76Å; C729-I777 HydrophobicContact CB-CD1 4.1Å; C729-I777 HydrophobicContact CB-CG2 4.45Å
730	V	89.3	Confident	88.2	Confident	25 Å²	25	46 Å²	46	15%	0.152	22%	0.223	C	C	.	.	H	α-helix	trans	-63.3	-38.8	-178.8	172.1	0	0	0	0	111.3	F726 V727 R732 N733 I777 C779	F726-V730 WeakPolarHBondContact O-CG2 3.49Å; F726-V730 PolarHBondContact O-N 3.4Å; V727-V730 PolarHBondContact O-N 2.98Å; V730-R732 VanDerWaalsContact C-N 3.26Å; V730-R732 PolarHBondContact O-N 2.94Å; V730-N733 PolarHBondContact O-N 3.02Å; V730-I777 HydrophobicContact CG2-CG2 4.14Å; V730-C779 HydrophobicContact CG2-CB 4.08Å
731	K	85.7	Confident	88.2	Confident	138 Å²	138	44.4 Å²	44.4	60%	0.6	22%	0.218	S	C	*	.	H	α-helix	trans	-62.3	-33.6	176.8	-174.7	175.7	178.7	178.8	0	112.6	V727 C729	V727-K731 WeakPolarHBondContact O-CB 3.41Å; V727-K731 PolarHBondContact O-N 3.07Å; C729-K731 VanDerWaalsContact C-N 3.32Å; C729-K731 PolarHBondContact O-N 3.18Å
732	R	88.7	Confident	87.2	Confident	78 Å²	78	44 Å²	44	29%	0.294	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	5.4	179.9	-74.7	169.3	-180	68.9	-17.6	114	D715 E728 C729 V730 C734	D715-R732 IonicContact OD2-CZ 3.37Å; D715-R732 IonicContact OD2-NE 3.17Å; D715-R732 PolarHBondContact OD2-NE 3.1Å; D715-R732 IonicContact OD2-NH2 3.68Å; D715-R732 PolarHBondContact OD2-NH2 3.02Å; E728-R732 WeakPolarHBondContact O-CB 3.48Å; E728-R732 PolarHBondContact O-N 2.97Å; E728-R732 VanDerWaalsContact O-N 3.11Å; E728-R732 IonicContact OE1-NH1 2.81Å; E728-R732 IonicContact OE2-CZ 3.94Å; E728-R732 IonicContact OE2-NH1 3.93Å; E728-R732 PolarHBondContact OE2-NH1 2.55Å; E728-R732 IonicContact OE2-NH2 3.25Å; E728-R732 PolarHBondContact OE2-NH2 2.82Å; C729-R732 CarbonylContact O-C 3.55Å; C729-R732 PolarHBondContact O-N 2.95Å; C729-R732 VanDerWaalsContact O-N 3.14Å; V730-R732 VanDerWaalsContact C-N 3.26Å; V730-R732 PolarHBondContact O-N 2.94Å; R732-C734 PolarHBondContact O-N 2.69Å
733	N	88.7	Confident	85.6	Confident	140 Å²	140	48.6 Å²	48.6	75%	0.749	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	51	44.4	-171.8	-63.7	-36	0	0	0	112.4	C729 V730	C729-N733 PolarHBondContact O-N 2.79Å; V730-N733 PolarHBondContact O-N 3.02Å
734	C	93	Very high	84.3	Confident	14 Å²	14	47.7 Å²	47.7	10%	0.095	25%	0.245	C	C	.	.			trans	-69.8	150.3	172.8	113	0	0	0	0	110.6	L714 C729 R732 S736 L751 Y752	L714-C734 HydrophobicContact CD1-CB 3.76Å; C729-C734 VanDerWaalsContact CA-SG 3.58Å; C729-C734 HydrophobicContact CB-CB 3.93Å; C729-C734 WeakPolarHBondContact CB-SG 3.49Å; C729-C734 PolarHBondContact O-N 2.84Å; C729-C734 WeakPolarHBondContact SG-CB 3.43Å; C729-C734 PolarHBondContact SG-O 3.48Å; C729-C734 CovalentContact SG-SG 2.01Å; C729-C734 PolarHBondContact SG-SG 3.38Å; R732-C734 PolarHBondContact O-N 2.69Å; C734-S736 PolarHBondContact SG-O 3.02Å; C734-L751 HydrophobicContact CB-CB 4.18Å; C734-Y752 CarbonylContact C-O 3.52Å; C734-Y752 WeakPolarHBondContact CA-O 3.47Å; C734-Y752 WeakPolarHBondContact CB-O 3.47Å
735	R	89.7	Confident	82.9	Confident	124 Å²	124	55.3 Å²	55.3	47%	0.468	28%	0.278	S	S	.	.	S	Bend	trans	-90.1	-35.8	174.1	-91.1	-162.6	163.1	-125.5	4.5	112.7	Y752 G753 E758	R735-Y752 PolarHBondContact N-O 2.77Å; R735-G753 WeakPolarHBondContact CD-O 3.41Å; R735-E758 WeakPolarHBondContact CD-OE1 3.43Å; R735-E758 IonicContact CZ-OE1 2.88Å; R735-E758 IonicContact NE-OE1 2.62Å; R735-E758 PolarHBondContact NE-OE1 3.11Å; R735-E758 IonicContact NH1-OE1 3.01Å; R735-E758 PolarHBondContact NH1-OE1 3.15Å; R735-E758 IonicContact NH2-OE1 3.86Å
736	S	93.8	Very high	81.3	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	164.3	-177.8	73.5	0	0	0	0	111.7	F708 C734 Y752 D754 Y773 F774	F708-S736 VanDerWaalsContact CD1-OG 3.31Å; F708-S736 WeakPolarHBondContact CD1-OG 3.33Å; F708-S736 WeakPolarHBondContact CE1-OG 3.41Å; C734-S736 PolarHBondContact SG-O 3.02Å; S736-Y752 PolarHBondContact N-O 3.5Å; S736-Y752 PolarHBondContact O-N 2.83Å; S736-Y752 WeakPolarHBondContact OG-CB 3.38Å; S736-D754 PolarHBondContact OG-O 2.94Å; S736-Y773 VanDerWaalsContact CB-CE2 3.46Å; S736-F774 CarbonylContact C-O 3.58Å; S736-F774 WeakPolarHBondContact CA-O 3.11Å; S736-F774 VanDerWaalsContact CB-O 3.24Å; S736-F774 WeakPolarHBondContact CB-O 3.29Å
737	A	94.5	Very high	80.7	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	144.8	179.5	0	0	0	0	0	112.4	Y750 L751 F774 I777	A737-Y750 CarbonylContact C-O 3.6Å; A737-Y750 WeakPolarHBondContact CA-O 3.32Å; A737-Y750 WeakPolarHBondContact CB-O 3.48Å; A737-L751 HydrophobicContact CB-CD2 3.7Å; A737-F774 PolarHBondContact N-O 2.83Å; A737-F774 PolarHBondContact O-N 3.27Å; A737-I777 HydrophobicContact CB-CD1 3.79Å
738	N	93.5	Very high	80.7	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	143.2	165	-58.1	-31.1	0	0	0	110.1	E707 F708 V740 C749 Y750 Y752 V772 Y773	E707-N738 HydrophobicContact CG-CB 4.06Å; E707-N738 WeakPolarHBondContact CG-ND2 3.45Å; F708-N738 WeakPolarHBondContact CB-OD1 3.38Å; F708-N738 PolarHBondContact N-ND2 3.02Å; F708-N738 PolarHBondContact N-OD1 3.5Å; F708-N738 PolarHBondContact O-ND2 3.36Å; N738-V740 HydrophobicContact CB-CG2 4.24Å; N738-C749 CarbonylContact O-C 3.49Å; N738-C749 VanDerWaalsContact O-CA 3.31Å; N738-C749 WeakPolarHBondContact O-CA 3.1Å; N738-Y750 HydrophobicContact CB-CD2 4.08Å; N738-Y750 HydrophobicContact CB-CG 4.49Å; N738-Y750 PolarHBondContact N-O 2.95Å; N738-Y750 PolarHBondContact O-N 2.97Å; N738-Y752 WeakPolarHBondContact ND2-CE2 3Å; N738-V772 CarbonylContact C-O 3.54Å; N738-V772 WeakPolarHBondContact CA-O 3.46Å; N738-Y773 WeakPolarHBondContact OD1-CD2 3.33Å
739	L	91	Very high	80.9	Confident	11 Å²	11	60.7 Å²	60.7	6%	0.058	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	110.1	166.8	-172.9	74	0	0	0	109.2	V719 P722 C725 K747 H748 C749 S771 V772 F774	V719-L739 HydrophobicContact CG2-CD1 3.42Å; V719-L739 VanDerWaalsContact CG2-CD1 3.42Å; P722-L739 HydrophobicContact CB-CD2 3.71Å; P722-L739 HydrophobicContact CG-CD2 3.69Å; C725-L739 HydrophobicContact CB-CD1 4.4Å; L739-K747 HydrophobicContact CD1-CB 3.66Å; L739-K747 HydrophobicContact CD1-CD 4.4Å; L739-K747 HydrophobicContact CD2-CD 4.03Å; L739-K747 HydrophobicContact CG-CB 4.11Å; L739-K747 HydrophobicContact CG-CD 4.31Å; L739-H748 CarbonylContact C-O 3.59Å; L739-H748 VanDerWaalsContact CA-O 3.32Å; L739-H748 WeakPolarHBondContact CA-O 3.3Å; L739-C749 HydrophobicContact CD1-CB 4.39Å; L739-S771 CarbonylContact O-C 3.53Å; L739-S771 VanDerWaalsContact O-CA 3.32Å; L739-S771 WeakPolarHBondContact O-CA 3.48Å; L739-V772 PolarHBondContact N-O 3.09Å; L739-V772 PolarHBondContact O-N 2.77Å; L739-F774 HydrophobicContact CB-CD2 4.23Å; L739-F774 HydrophobicContact CB-CE2 3.54Å; L739-F774 HydrophobicContact CD2-CE2 4.01Å; L739-F774 HydrophobicContact CD2-CZ 4.38Å; L739-F774 HydrophobicContact CG-CE2 4.43Å
740	V	86.1	Confident	81	Confident	28 Å²	28	62.4 Å²	62.4	17%	0.17	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.3	-174	-172.1	0	0	0	0	109.8	E707 N738 F742 K747 H748 Y750	E707-V740 HydrophobicContact CG-CG2 4.41Å; N738-V740 HydrophobicContact CB-CG2 4.24Å; V740-F742 PolarHBondContact O-N 3.49Å; V740-K747 CarbonylContact O-C 3.59Å; V740-K747 WeakPolarHBondContact O-CA 3.35Å; V740-H748 PolarHBondContact N-O 3.09Å; V740-H748 PolarHBondContact O-N 2.73Å; V740-Y750 HydrophobicContact CB-CE2 4.13Å; V740-Y750 HydrophobicContact CG2-CD2 4.08Å; V740-Y750 HydrophobicContact CG2-CE2 3.72Å
741	L	77.9	Confident	81.2	Confident	90 Å²	90	61.2 Å²	61.2	47%	0.471	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	125.2	172.3	-80.3	158.5	0	0	0	110.4	K747 G770	L741-K747 HydrophobicContact CD2-CG 4.08Å; L741-G770 WeakPolarHBondContact CB-O 3.45Å; L741-G770 WeakPolarHBondContact CD1-O 3.47Å; L741-G770 WeakPolarHBondContact CG-O 3.3Å; L741-G770 PolarHBondContact N-O 2.87Å
742	F	60	Low	81.5	Confident	86 Å²	86	55.4 Å²	55.4	38%	0.377	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	124	179.2	-174.8	-102.5	0	0	0	110.3	V740 G744 K745 F746 H748	V740-F742 PolarHBondContact O-N 3.49Å; F742-G744 PolarHBondContact O-N 2.79Å; F742-K745 PolarHBondContact O-N 2.03Å; F742-F746 WeakPolarHBondContact CA-O 3.39Å; F742-F746 PolarHBondContact N-O 3.29Å; F742-F746 PolarHBondContact O-N 3.09Å; F742-F746 VanDerWaalsContact O-N 3.08Å; F742-H748 VanDerWaalsContact CB-ND1 3.25Å; F742-H748 WeakPolarHBondContact CB-ND1 2.95Å; F742-H748 AromaticContact CD1-CE1 3.59Å; F742-H748 AromaticContact CD1-ND1 3.99Å; F742-H748 AromaticContact CD2-CE1 3.78Å; F742-H748 AromaticContact CD2-ND1 3.85Å; F742-H748 AromaticContact CG-CE1 3.42Å; F742-H748 VanDerWaalsContact CG-CE1 3.42Å; F742-H748 WeakPolarHBondContact CG-CE1 3.02Å; F742-H748 AromaticContact CG-ND1 3.43Å; F742-H748 WeakPolarHBondContact CG-ND1 3.31Å
743	L	50.9	Low	81.6	Confident	138 Å²	138	52.8 Å²	52.8	72%	0.723	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	29	-178.1	-58.8	174.6	0	0	0	113.8	K745	L743-K745 PolarHBondContact O-N 3.2Å
744	G	55.1	Low	81.4	Confident	67 Å²	67	46.4 Å²	46.4	69%	0.691	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.1	-5.6	179	0	0	0	0	0	116.4	F742	F742-G744 PolarHBondContact O-N 2.79Å
745	K	56.8	Low	81	Confident	180 Å²	180	45.9 Å²	45.9	78%	0.783	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.4	-39.2	-174.8	-70.1	-174.8	179.9	177.7	0	113.9	F742 L743	F742-K745 PolarHBondContact O-N 2.03Å; L743-K745 PolarHBondContact O-N 3.2Å
746	F	54.5	Low	80.2	Confident	71 Å²	71	40.7 Å²	40.7	31%	0.311	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	147.6	-176.3	-61.3	-79.6	0	0	0	110	L718 F742	L718-F746 HydrophobicContact CD2-CB 4.05Å; F742-F746 WeakPolarHBondContact CA-O 3.39Å; F742-F746 PolarHBondContact N-O 3.29Å; F742-F746 PolarHBondContact O-N 3.09Å; F742-F746 VanDerWaalsContact O-N 3.08Å
747	K	78.9	Confident	79.2	Confident	58 Å²	58	46.7 Å²	46.7	25%	0.252	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	122.9	176.3	-58.8	176.6	-175.2	176.1	0	108.5	V719 L739 V740 L741	V719-K747 HydrophobicContact CG2-CB 3.9Å; V719-K747 WeakPolarHBondContact CG2-O 3.36Å; V719-K747 PolarHBondContact N-O 2.86Å; V719-K747 PolarHBondContact O-N 2.81Å; L739-K747 HydrophobicContact CD1-CB 3.66Å; L739-K747 HydrophobicContact CD1-CD 4.4Å; L739-K747 HydrophobicContact CD2-CD 4.03Å; L739-K747 HydrophobicContact CG-CB 4.11Å; L739-K747 HydrophobicContact CG-CD 4.31Å; V740-K747 CarbonylContact O-C 3.59Å; V740-K747 WeakPolarHBondContact O-CA 3.35Å; L741-K747 HydrophobicContact CD2-CG 4.08Å
748	H	87.2	Confident	77.7	Confident	26 Å²	26	51 Å²	51	12%	0.12	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	125	170.7	-80.4	94.5	0	0	0	109	K716 L718 L739 V740 F742 Y750	K716-H748 WeakPolarHBondContact CE-CD2 3.4Å; L718-H748 VanDerWaalsContact CD2-CE1 3.45Å; L718-H748 WeakPolarHBondContact CD2-CE1 3.43Å; L718-H748 WeakPolarHBondContact CD2-NE2 3.38Å; L739-H748 CarbonylContact C-O 3.59Å; L739-H748 VanDerWaalsContact CA-O 3.32Å; L739-H748 WeakPolarHBondContact CA-O 3.3Å; V740-H748 PolarHBondContact N-O 3.09Å; V740-H748 PolarHBondContact O-N 2.73Å; F742-H748 VanDerWaalsContact CB-ND1 3.25Å; F742-H748 WeakPolarHBondContact CB-ND1 2.95Å; F742-H748 AromaticContact CD1-CE1 3.59Å; F742-H748 AromaticContact CD1-ND1 3.99Å; F742-H748 AromaticContact CD2-CE1 3.78Å; F742-H748 AromaticContact CD2-ND1 3.85Å; F742-H748 AromaticContact CG-CE1 3.42Å; F742-H748 VanDerWaalsContact CG-CE1 3.42Å; F742-H748 WeakPolarHBondContact CG-CE1 3.02Å; F742-H748 AromaticContact CG-ND1 3.43Å; F742-H748 WeakPolarHBondContact CG-ND1 3.31Å; H748-Y750 HydrophobicContact CB-CD2 4.25Å; H748-Y750 HydrophobicContact CB-CE2 3.51Å
749	C	92.7	Very high	76.1	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	127.7	168.7	175.3	0	0	0	0	108.7	K716 F717 V719 C725 N738 L739 L751	K716-C749 WeakPolarHBondContact CA-O 3.32Å; F717-C749 HydrophobicContact CD2-CB 4.32Å; F717-C749 HydrophobicContact CE2-CB 3.92Å; F717-C749 HydrophobicContact CZ-CB 4.15Å; F717-C749 PolarHBondContact N-O 2.5Å; F717-C749 PolarHBondContact O-N 3.35Å; V719-C749 HydrophobicContact CG1-CB 3.81Å; V719-C749 HydrophobicContact CG2-CB 4.11Å; C725-C749 WeakPolarHBondContact CA-SG 3.45Å; C725-C749 HydrophobicContact CB-CB 3.71Å; C725-C749 WeakPolarHBondContact CB-SG 3.41Å; C725-C749 WeakPolarHBondContact SG-CB 3.18Å; C725-C749 CovalentContact SG-SG 2.03Å; C725-C749 PolarHBondContact SG-SG 3.26Å; N738-C749 CarbonylContact O-C 3.49Å; N738-C749 VanDerWaalsContact O-CA 3.31Å; N738-C749 WeakPolarHBondContact O-CA 3.1Å; L739-C749 HydrophobicContact CD1-CB 4.39Å; C749-L751 WeakPolarHBondContact SG-CD2 3.5Å
750	Y	93.7	Very high	73.7	Confident	36 Å²	36	57.2 Å²	57.2	14%	0.141	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	122.1	173.2	-58.9	-101.5	0	0	0	107.5	L713 K716 A737 N738 V740 H748	L713-Y750 HydrophobicContact CD1-CD1 4.15Å; K716-Y750 HydrophobicContact CB-CD1 4.08Å; K716-Y750 HydrophobicContact CB-CE1 4.4Å; K716-Y750 HydrophobicContact CD-CD1 3.86Å; K716-Y750 HydrophobicContact CD-CE1 3.3Å; K716-Y750 VanDerWaalsContact CE-CZ 3.47Å; K716-Y750 VanDerWaalsContact CE-OH 3.22Å; K716-Y750 WeakPolarHBondContact CE-OH 3.04Å; K716-Y750 HydrophobicContact CG-CD1 3.72Å; K716-Y750 HydrophobicContact CG-CE1 3.63Å; K716-Y750 HydrophobicContact CG-CG 4.4Å; K716-Y750 PolarHBondContact NZ-OH 3.22Å; A737-Y750 CarbonylContact C-O 3.6Å; A737-Y750 WeakPolarHBondContact CA-O 3.32Å; A737-Y750 WeakPolarHBondContact CB-O 3.48Å; N738-Y750 HydrophobicContact CB-CD2 4.08Å; N738-Y750 HydrophobicContact CB-CG 4.49Å; N738-Y750 PolarHBondContact N-O 2.95Å; N738-Y750 PolarHBondContact O-N 2.97Å; V740-Y750 HydrophobicContact CB-CE2 4.13Å; V740-Y750 HydrophobicContact CG2-CD2 4.08Å; V740-Y750 HydrophobicContact CG2-CE2 3.72Å; H748-Y750 HydrophobicContact CB-CD2 4.25Å; H748-Y750 HydrophobicContact CB-CE2 3.51Å
751	L	93.8	Very high	71.7	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	134.5	-179.1	-59.7	-175.7	0	0	0	110	L713 L714 D715 F717 E728 C729 C734 A737 C749	L713-L751 CarbonylContact C-O 3.6Å; L713-L751 WeakPolarHBondContact CD1-O 3.31Å; L714-L751 HydrophobicContact CB-CB 4.31Å; L714-L751 PolarHBondContact N-O 2.68Å; D715-L751 HydrophobicContact CB-CD1 4.35Å; D715-L751 PolarHBondContact N-O 2.86Å; D715-L751 PolarHBondContact O-N 2.63Å; F717-L751 HydrophobicContact CE1-CD1 3.69Å; F717-L751 HydrophobicContact CE1-CG 3.99Å; F717-L751 HydrophobicContact CZ-CD1 3.91Å; F717-L751 HydrophobicContact CZ-CG 4.19Å; E728-L751 HydrophobicContact CB-CD1 4.08Å; C729-L751 HydrophobicContact CB-CD2 3.76Å; C734-L751 HydrophobicContact CB-CB 4.18Å; A737-L751 HydrophobicContact CB-CD2 3.7Å; C749-L751 WeakPolarHBondContact SG-CD2 3.5Å
752	Y	91.8	Very high	70.3	Confident	17 Å²	17	61.2 Å²	61.2	7%	0.067	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	140.8	-177.7	-70	-86.8	0	0	0	111.3	F708 G710 N712 L713 C734 R735 S736 N738 D754	F708-Y752 HydrophobicContact CD1-CD1 4.31Å; F708-Y752 AromaticContact CD1-CD2 3.95Å; F708-Y752 HydrophobicContact CD1-CD2 3.95Å; F708-Y752 HydrophobicContact CD1-CE2 4.39Å; F708-Y752 AromaticContact CD1-CG 3.9Å; F708-Y752 HydrophobicContact CD1-CG 3.9Å; F708-Y752 HydrophobicContact CE1-CD1 4.15Å; F708-Y752 HydrophobicContact CE1-CD2 4.45Å; F708-Y752 AromaticContact CE1-CG 3.93Å; F708-Y752 HydrophobicContact CE1-CG 3.93Å; F708-Y752 PolarHBondContact O-OH 3.29Å; G710-Y752 WeakPolarHBondContact O-CE1 3.48Å; N712-Y752 CarbonylContact O-C 3.59Å; N712-Y752 VanDerWaalsContact O-CA 3.31Å; N712-Y752 WeakPolarHBondContact O-CA 3.06Å; L713-Y752 HydrophobicContact CB-CD1 4.24Å; L713-Y752 HydrophobicContact CB-CE1 3.93Å; L713-Y752 HydrophobicContact CD1-CD1 4.25Å; L713-Y752 HydrophobicContact CD1-CD2 4.49Å; L713-Y752 HydrophobicContact CD1-CE1 3.77Å; L713-Y752 HydrophobicContact CD1-CE2 4.05Å; L713-Y752 HydrophobicContact CG-CE1 4.47Å; C734-Y752 CarbonylContact C-O 3.52Å; C734-Y752 WeakPolarHBondContact CA-O 3.47Å; C734-Y752 WeakPolarHBondContact CB-O 3.47Å; R735-Y752 PolarHBondContact N-O 2.77Å; S736-Y752 PolarHBondContact N-O 3.5Å; S736-Y752 PolarHBondContact O-N 2.83Å; S736-Y752 WeakPolarHBondContact OG-CB 3.38Å; N738-Y752 WeakPolarHBondContact ND2-CE2 3Å; Y752-D754 VanDerWaalsContact C-N 3.27Å; Y752-D754 WeakPolarHBondContact CB-O 3.44Å; Y752-D754 WeakPolarHBondContact CB-OD1 3.2Å
753	G	89.1	Confident	70.2	Confident	22 Å²	22	59.7 Å²	59.7	23%	0.227	32%	0.321	C	S	.	.	S	Bend	trans	-83.4	-9.8	173.8	0	0	0	0	0	112.8	N712 R735	N712-G753 PolarHBondContact O-N 2.9Å; R735-G753 WeakPolarHBondContact CD-O 3.41Å
754	D	84.6	Confident	70.9	Confident	7 Å²	7	54.1 Å²	54.1	4%	0.037	29%	0.291	C	S	.	.	S	Bend	trans	-114.6	172.6	173.9	54.2	-12.5	0	0	0	110.9	F708 R711 N712 S736 Y752 E758 Y759	F708-D754 WeakPolarHBondContact CE1-O 3.47Å; F708-D754 HydrophobicContact CZ-CB 4.47Å; R711-D754 PolarHBondContact N-OD2 2.62Å; N712-D754 HydrophobicContact CB-CB 4.31Å; N712-D754 PolarHBondContact N-OD1 2.88Å; N712-D754 PolarHBondContact N-OD2 3.01Å; S736-D754 PolarHBondContact OG-O 2.94Å; Y752-D754 VanDerWaalsContact C-N 3.27Å; Y752-D754 WeakPolarHBondContact CB-O 3.44Å; Y752-D754 WeakPolarHBondContact CB-OD1 3.2Å; D754-E758 WeakPolarHBondContact CA-OE2 3.04Å; D754-E758 WeakPolarHBondContact CB-OE2 3.24Å; D754-Y759 HydrophobicContact CB-CE2 4.08Å; D754-Y759 WeakPolarHBondContact OD2-CE2 3.36Å; D754-Y759 PolarHBondContact OD2-OH 3.46Å
755	S	85.9	Confident	71.8	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.014	27%	0.267	C	S	.	.			trans	-146.3	162.4	176.8	70.3	0	0	0	0	111.7	I757 E758 Y759 E775	S755-I757 PolarHBondContact O-N 3.35Å; S755-I757 WeakPolarHBondContact OG-CG1 3.46Å; S755-E758 WeakPolarHBondContact O-CB 3.34Å; S755-E758 PolarHBondContact O-N 3.49Å; S755-Y759 WeakPolarHBondContact O-CD2 3.15Å; S755-E775 WeakPolarHBondContact CB-OE1 3.23Å; S755-E775 PolarHBondContact OG-OE1 3.32Å
756	A	72.7	Confident	72.1	Confident	15 Å²	15	45.3 Å²	45.3	12%	0.124	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-56.3	-35.2	-173.1	0	0	0	0	0	113.8	F708 E758 Y759 I765 Y773	F708-A756 HydrophobicContact CD2-CB 3.86Å; F708-A756 VanDerWaalsContact CE2-CA 3.46Å; F708-A756 HydrophobicContact CE2-CB 4.03Å; A756-E758 PolarHBondContact O-N 2.91Å; A756-Y759 PolarHBondContact O-N 3.44Å; A756-I765 HydrophobicContact CB-CD1 3.5Å; A756-I765 VanDerWaalsContact CB-CD1 3.5Å; A756-I765 HydrophobicContact CB-CG1 3.61Å; A756-Y773 HydrophobicContact CB-CE1 3.85Å; A756-Y773 WeakPolarHBondContact CB-OH 3.1Å; A756-Y773 PolarHBondContact N-OH 3.04Å
757	I	71.8	Confident	73	Confident	127 Å²	127	49.3 Å²	49.3	65%	0.651	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-63.6	-21.2	177.8	69.3	-178.6	0	0	0	113.6	S755 Y759 E775	S755-I757 PolarHBondContact O-N 3.35Å; S755-I757 WeakPolarHBondContact OG-CG1 3.46Å; I757-Y759 PolarHBondContact O-N 2.91Å; I757-E775 WeakPolarHBondContact CD1-OE1 3.18Å; I757-E775 VanDerWaalsContact CG1-OE1 3.23Å; I757-E775 WeakPolarHBondContact CG1-OE1 3.18Å; I757-E775 WeakPolarHBondContact CG2-OE1 3.05Å
758	E	64.7	Low	72.4	Confident	91 Å²	91	49.1 Å²	49.1	43%	0.425	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-76.4	-10.9	178.4	-58.5	-171.2	162.7	0	0	112.3	R735 D754 S755 A756	R735-E758 WeakPolarHBondContact CD-OE1 3.43Å; R735-E758 IonicContact CZ-OE1 2.88Å; R735-E758 IonicContact NE-OE1 2.62Å; R735-E758 PolarHBondContact NE-OE1 3.11Å; R735-E758 IonicContact NH1-OE1 3.01Å; R735-E758 PolarHBondContact NH1-OE1 3.15Å; R735-E758 IonicContact NH2-OE1 3.86Å; D754-E758 WeakPolarHBondContact CA-OE2 3.04Å; D754-E758 WeakPolarHBondContact CB-OE2 3.24Å; S755-E758 WeakPolarHBondContact O-CB 3.34Å; S755-E758 PolarHBondContact O-N 3.49Å; A756-E758 PolarHBondContact O-N 2.91Å
759	Y	58.8	Low	71.7	Confident	38 Å²	38	57.6 Å²	57.6	15%	0.149	29%	0.291	C	S	.	.			trans	-106.5	127.7	-176.1	-69.9	-89.9	0	0	0	111.3	F708 R711 D754 S755 A756 I757 F761 M764	F708-Y759 AromaticContact CE2-CD2 3.88Å; F708-Y759 HydrophobicContact CE2-CD2 3.88Å; F708-Y759 AromaticContact CE2-CE2 3.97Å; F708-Y759 HydrophobicContact CE2-CE2 3.97Å; F708-Y759 AromaticContact CZ-CD2 4Å; F708-Y759 HydrophobicContact CZ-CD2 4Å; F708-Y759 AromaticContact CZ-CE2 3.65Å; F708-Y759 HydrophobicContact CZ-CE2 3.65Å; R711-Y759 VanDerWaalsContact CB-OH 3.31Å; R711-Y759 WeakPolarHBondContact CB-OH 3.46Å; R711-Y759 HydrophobicContact CG-CE1 4.15Å; R711-Y759 VanDerWaalsContact CG-OH 3.31Å; R711-Y759 WeakPolarHBondContact CG-OH 3.37Å; R711-Y759 PolarHBondContact N-OH 3.15Å; D754-Y759 HydrophobicContact CB-CE2 4.08Å; D754-Y759 WeakPolarHBondContact OD2-CE2 3.36Å; D754-Y759 PolarHBondContact OD2-OH 3.46Å; S755-Y759 WeakPolarHBondContact O-CD2 3.15Å; A756-Y759 PolarHBondContact O-N 3.44Å; I757-Y759 PolarHBondContact O-N 2.91Å; Y759-F761 PolarHBondContact O-N 2.87Å; Y759-M764 HydrophobicContact CD1-CG 3.68Å; Y759-M764 HydrophobicContact CD1-SD 3.56Å; Y759-M764 VanDerWaalsContact CD1-SD 3.56Å; Y759-M764 HydrophobicContact CD2-CG 4.18Å; Y759-M764 HydrophobicContact CE1-CG 4.45Å; Y759-M764 HydrophobicContact CE1-SD 3.78Å; Y759-M764 HydrophobicContact CG-CB 4.34Å; Y759-M764 HydrophobicContact CG-CG 3.52Å; Y759-M764 HydrophobicContact CG-SD 3.96Å
760	P	40.4	Very low	71.1	Confident	102 Å²	102	58.5 Å²	58.5	66%	0.662	30%	0.301	S	S	*	.	S	Bend	trans	-79.1	-0.8	176.5	32	-34.3	0	0	0	113.5
761	F	45	Very low	70.6	Confident	98 Å²	98	56.8 Å²	56.8	43%	0.43	29%	0.294	S	S	.	.	S	Bend	trans	-114.2	138.4	-174.9	-53.4	-72.5	0	0	0	110.9	Y759 N763	Y759-F761 PolarHBondContact O-N 2.87Å; F761-N763 VanDerWaalsContact C-N 3.31Å; F761-N763 WeakPolarHBondContact CB-OD1 3.35Å; F761-N763 PolarHBondContact O-N 2.01Å
762	T	47	Very low	70.4	Confident	104 Å²	104	57.8 Å²	57.8	64%	0.638	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-79.7	-11.5	-171.5	54.1	0	0	0	0	114.1	L47 M764	L47-T762 HydrophobicContact CD2-CG2 3.12Å; T762-M764 PolarHBondContact O-N 2.98Å
763	N	59.3	Low	70.4	Confident	54 Å²	54	57 Å²	57	29%	0.289	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-79.5	6.8	179.1	69.1	-25.2	0	0	0	114	F761	F761-N763 VanDerWaalsContact C-N 3.31Å; F761-N763 WeakPolarHBondContact CB-OD1 3.35Å; F761-N763 PolarHBondContact O-N 2.01Å
764	M	66.2	Low	70.5	Confident	21 Å²	21	56.2 Å²	56.2	10%	0.103	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-84.9	-21.4	175.7	-62.9	-70.2	106.7	0	0	112.6	F708 S709 Y759 T762	F708-M764 CarbonylContact C-O 3.56Å; F708-M764 VanDerWaalsContact CA-O 3.29Å; F708-M764 WeakPolarHBondContact CA-O 3.41Å; F708-M764 HydrophobicContact CD2-CB 4.19Å; F708-M764 WeakPolarHBondContact CD2-O 3.45Å; F708-M764 HydrophobicContact CE2-CB 4.02Å; S709-M764 PolarHBondContact N-O 2.94Å; Y759-M764 HydrophobicContact CD1-CG 3.68Å; Y759-M764 HydrophobicContact CD1-SD 3.56Å; Y759-M764 VanDerWaalsContact CD1-SD 3.56Å; Y759-M764 HydrophobicContact CD2-CG 4.18Å; Y759-M764 HydrophobicContact CE1-CG 4.45Å; Y759-M764 HydrophobicContact CE1-SD 3.78Å; Y759-M764 HydrophobicContact CG-CB 4.34Å; Y759-M764 HydrophobicContact CG-CG 3.52Å; Y759-M764 HydrophobicContact CG-SD 3.96Å; T762-M764 PolarHBondContact O-N 2.98Å
765	I	72.3	Confident	70.7	Confident	37 Å²	37	56.9 Å²	56.9	19%	0.19	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	115.2	169.6	-59.9	-174.7	0	0	0	107.3	A706 A756 Y773	A706-I765 HydrophobicContact CB-CG2 3.72Å; A756-I765 HydrophobicContact CB-CD1 3.5Å; A756-I765 VanDerWaalsContact CB-CD1 3.5Å; A756-I765 HydrophobicContact CB-CG1 3.61Å; I765-Y773 HydrophobicContact CD1-CD1 3.95Å; I765-Y773 HydrophobicContact CD1-CE1 3.91Å; I765-Y773 HydrophobicContact CG1-CD1 4.48Å
766	T	64.6	Low	70.5	Confident	25 Å²	25	59.2 Å²	59.2	15%	0.153	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	147	173.6	53.4	0	0	0	0	109	A706 E707 H768	A706-T766 CarbonylContact C-O 3.34Å; A706-T766 VanDerWaalsContact CA-O 3.24Å; A706-T766 WeakPolarHBondContact CA-O 3.14Å; E707-T766 PolarHBondContact N-O 3.04Å; E707-T766 PolarHBondContact O-N 3.03Å; E707-T766 PolarHBondContact O-OG1 3.25Å; T766-H768 PolarHBondContact OG1-CD2 3.37Å
767	F	72.5	Confident	71.1	Confident	155 Å²	155	59.4 Å²	59.4	68%	0.68	31%	0.313	S	S	*	.			trans	-97.7	112.7	179.8	-64.8	-83.5	0	0	0	110.6	D705 A706	D705-F767 CarbonylContact O-C 3.33Å; D705-F767 VanDerWaalsContact O-C 3.28Å; D705-F767 WeakPolarHBondContact O-CA 3Å; D705-F767 WeakPolarHBondContact O-CB 3.38Å; D705-F767 WeakPolarHBondContact O-CD1 3.39Å; A706-F767 HydrophobicContact CB-CD1 4.14Å; A706-F767 HydrophobicContact CB-CE1 4.28Å
768	H	65.6	Low	71.7	Confident	55 Å²	55	56.7 Å²	56.7	26%	0.255	31%	0.306	S	S	.	.			trans	-126	120.9	-178.8	-78.9	-69.2	0	0	0	110.4	T410 D705 E707 T766 G770 S771	T410-H768 VanDerWaalsContact CB-CE1 3.43Å; T410-H768 WeakPolarHBondContact CB-CE1 2.81Å; T410-H768 VanDerWaalsContact CG2-CE1 3.47Å; T410-H768 WeakPolarHBondContact CG2-CE1 3.46Å; D705-H768 CarbonylContact C-O 3.07Å; D705-H768 VanDerWaalsContact C-O 3.28Å; D705-H768 WeakPolarHBondContact CA-O 3.42Å; D705-H768 PolarHBondContact O-N 3.29Å; E707-H768 IonicContact OE2-CD2 2.76Å; T766-H768 PolarHBondContact OG1-CD2 3.37Å; H768-G770 PolarHBondContact O-N 2.88Å; H768-S771 WeakPolarHBondContact CB-OG 3.29Å; H768-S771 PolarHBondContact O-N 3.34Å; H768-S771 PolarHBondContact O-OG 3.5Å
769	K	73.6	Confident	72.6	Confident	203 Å²	203	52.9 Å²	52.9	88%	0.883	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	125.4	179.4	-169.9	176.5	-177.8	175.7	0	110.9	D705 S771	D705-K769 WeakPolarHBondContact OD1-CA 3.45Å; K769-S771 VanDerWaalsContact C-N 3.34Å
770	G	79.5	Confident	73.4	Confident	19 Å²	19	53.5 Å²	53.5	20%	0.196	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	9.7	-177.8	0	0	0	0	0	114.8	D705 L741 H768	D705-G770 PolarHBondContact OD1-N 3.14Å; L741-G770 WeakPolarHBondContact CB-O 3.45Å; L741-G770 WeakPolarHBondContact CD1-O 3.47Å; L741-G770 WeakPolarHBondContact CG-O 3.3Å; L741-G770 PolarHBondContact N-O 2.87Å; H768-G770 PolarHBondContact O-N 2.88Å
771	S	83.4	Confident	74.8	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	153.6	161.9	74.4	0	0	0	0	110.7	D705 A706 L739 H768 K769	D705-S771 WeakPolarHBondContact CA-O 3.49Å; D705-S771 PolarHBondContact N-O 3.39Å; A706-S771 PolarHBondContact N-O 2.92Å; A706-S771 PolarHBondContact N-OG 3.34Å; A706-S771 CarbonylContact O-C 3.54Å; A706-S771 WeakPolarHBondContact O-CB 3.21Å; A706-S771 PolarHBondContact O-OG 3.29Å; L739-S771 CarbonylContact O-C 3.53Å; L739-S771 VanDerWaalsContact O-CA 3.32Å; L739-S771 WeakPolarHBondContact O-CA 3.48Å; H768-S771 WeakPolarHBondContact CB-OG 3.29Å; H768-S771 PolarHBondContact O-N 3.34Å; H768-S771 PolarHBondContact O-OG 3.5Å; K769-S771 VanDerWaalsContact C-N 3.34Å
772	V	89.3	Confident	75.7	Confident	21 Å²	21	55.5 Å²	55.5	13%	0.127	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	123.4	170.6	-171.7	0	0	0	0	107.9	A702 F703 Y704 A706 N738 L739 F774	A702-V772 HydrophobicContact CB-CG1 4.02Å; F703-V772 WeakPolarHBondContact O-CA 3.32Å; Y704-V772 HydrophobicContact CD1-CB 4.5Å; Y704-V772 HydrophobicContact CD1-CG1 3.98Å; Y704-V772 HydrophobicContact CD1-CG2 3.67Å; Y704-V772 HydrophobicContact CE1-CG1 4.12Å; Y704-V772 HydrophobicContact CE1-CG2 4.09Å; Y704-V772 HydrophobicContact CG-CG1 4.42Å; A706-V772 CarbonylContact O-C 3.52Å; A706-V772 PolarHBondContact O-N 2.05Å; N738-V772 CarbonylContact C-O 3.54Å; N738-V772 WeakPolarHBondContact CA-O 3.46Å; L739-V772 PolarHBondContact N-O 3.09Å; L739-V772 PolarHBondContact O-N 2.77Å; V772-F774 HydrophobicContact CB-CE1 4.36Å; V772-F774 HydrophobicContact CB-CE2 3.97Å; V772-F774 HydrophobicContact CB-CZ 3.81Å; V772-F774 HydrophobicContact CG1-CD1 4.05Å; V772-F774 HydrophobicContact CG1-CD2 4.43Å; V772-F774 HydrophobicContact CG1-CE1 3.48Å; V772-F774 VanDerWaalsContact CG1-CE1 3.48Å; V772-F774 HydrophobicContact CG1-CE2 3.94Å; V772-F774 HydrophobicContact CG1-CG 4.49Å; V772-F774 VanDerWaalsContact CG1-CZ 3.43Å; V772-F774 HydrophobicContact CG1-CZ 3.43Å
773	Y	92.2	Very high	76.2	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	128.2	171.8	166.1	-120.9	0	0	0	109	A702 F703 A706 F708 S736 N738 A756 I765 E775	A702-Y773 CarbonylContact C-O 3.54Å; A702-Y773 VanDerWaalsContact CA-O 3.3Å; A702-Y773 WeakPolarHBondContact CA-O 3.36Å; F703-Y773 HydrophobicContact CB-CD1 4.07Å; F703-Y773 AromaticContact CD2-CD1 3.46Å; F703-Y773 HydrophobicContact CD2-CD1 3.46Å; F703-Y773 VanDerWaalsContact CD2-CD1 3.46Å; F703-Y773 AromaticContact CD2-CE1 3.78Å; F703-Y773 HydrophobicContact CD2-CE1 3.78Å; F703-Y773 HydrophobicContact CE2-CD1 4.25Å; F703-Y773 HydrophobicContact CE2-CE1 4.12Å; F703-Y773 HydrophobicContact CG-CD1 4.08Å; F703-Y773 PolarHBondContact N-O 2.61Å; F703-Y773 PolarHBondContact O-N 2.84Å; A706-Y773 PolarHBondContact O-N 2.86Å; F708-Y773 HydrophobicContact CB-CD1 4.42Å; F708-Y773 HydrophobicContact CB-CD2 3.16Å; F708-Y773 HydrophobicContact CB-CE2 3.19Å; F708-Y773 HydrophobicContact CB-CG 3.81Å; F708-Y773 HydrophobicContact CD1-CD2 4.45Å; F708-Y773 AromaticContact CD1-CE2 3.77Å; F708-Y773 HydrophobicContact CD1-CE2 3.77Å; F708-Y773 HydrophobicContact CD2-CE2 4.36Å; F708-Y773 HydrophobicContact CG-CD2 4.05Å; F708-Y773 AromaticContact CG-CE2 3.54Å; F708-Y773 HydrophobicContact CG-CE2 3.54Å; S736-Y773 VanDerWaalsContact CB-CE2 3.46Å; N738-Y773 WeakPolarHBondContact OD1-CD2 3.33Å; A756-Y773 HydrophobicContact CB-CE1 3.85Å; A756-Y773 WeakPolarHBondContact CB-OH 3.1Å; A756-Y773 PolarHBondContact N-OH 3.04Å; I765-Y773 HydrophobicContact CD1-CD1 3.95Å; I765-Y773 HydrophobicContact CD1-CE1 3.91Å; I765-Y773 HydrophobicContact CG1-CD1 4.48Å; Y773-E775 HydrophobicContact CE1-CB 4.11Å; Y773-E775 PolarHBondContact OH-OE2 3.39Å
774	F	92	Very high	76.2	Confident	7 Å²	7	58 Å²	58	3%	0.031	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	132.8	-179.4	-62.2	-70.8	0	0	0	110.5	Y700 S701 A702 F726 S736 A737 L739 V772 I777	Y700-F774 AromaticContact CD2-CD1 3.59Å; Y700-F774 HydrophobicContact CD2-CD1 3.59Å; Y700-F774 AromaticContact CD2-CE1 3.93Å; Y700-F774 HydrophobicContact CD2-CE1 3.93Å; Y700-F774 AromaticContact CE2-CD1 3.89Å; Y700-F774 HydrophobicContact CE2-CD1 3.89Å; Y700-F774 AromaticContact CE2-CE1 3.71Å; Y700-F774 HydrophobicContact CE2-CE1 3.71Å; Y700-F774 HydrophobicContact CG-CD1 4.29Å; S701-F774 CarbonylContact O-C 3.4Å; S701-F774 WeakPolarHBondContact O-CA 3.07Å; A702-F774 HydrophobicContact CB-CD1 3.7Å; A702-F774 HydrophobicContact CB-CE1 3.77Å; F726-F774 HydrophobicContact CE1-CB 4.25Å; F726-F774 AromaticContact CE1-CD1 3.78Å; F726-F774 HydrophobicContact CE1-CD1 3.78Å; F726-F774 AromaticContact CE1-CD2 3.64Å; F726-F774 HydrophobicContact CE1-CD2 3.64Å; F726-F774 AromaticContact CE1-CE1 3.93Å; F726-F774 HydrophobicContact CE1-CE1 3.93Å; F726-F774 AromaticContact CE1-CE2 3.75Å; F726-F774 HydrophobicContact CE1-CE2 3.75Å; F726-F774 AromaticContact CE1-CG 3.63Å; F726-F774 HydrophobicContact CE1-CG 3.63Å; F726-F774 AromaticContact CE1-CZ 3.91Å; F726-F774 HydrophobicContact CE1-CZ 3.91Å; F726-F774 AromaticContact CZ-CD1 3.93Å; F726-F774 HydrophobicContact CZ-CD1 3.93Å; F726-F774 HydrophobicContact CZ-CD2 4.33Å; F726-F774 AromaticContact CZ-CE1 3.68Å; F726-F774 HydrophobicContact CZ-CE1 3.68Å; F726-F774 HydrophobicContact CZ-CE2 4.06Å; F726-F774 HydrophobicContact CZ-CG 4.24Å; F726-F774 AromaticContact CZ-CZ 3.75Å; F726-F774 HydrophobicContact CZ-CZ 3.75Å; S736-F774 CarbonylContact C-O 3.58Å; S736-F774 WeakPolarHBondContact CA-O 3.11Å; S736-F774 VanDerWaalsContact CB-O 3.24Å; S736-F774 WeakPolarHBondContact CB-O 3.29Å; A737-F774 PolarHBondContact N-O 2.83Å; A737-F774 PolarHBondContact O-N 3.27Å; L739-F774 HydrophobicContact CB-CD2 4.23Å; L739-F774 HydrophobicContact CB-CE2 3.54Å; L739-F774 HydrophobicContact CD2-CE2 4.01Å; L739-F774 HydrophobicContact CD2-CZ 4.38Å; L739-F774 HydrophobicContact CG-CE2 4.43Å; V772-F774 HydrophobicContact CB-CE1 4.36Å; V772-F774 HydrophobicContact CB-CE2 3.97Å; V772-F774 HydrophobicContact CB-CZ 3.81Å; V772-F774 HydrophobicContact CG1-CD1 4.05Å; V772-F774 HydrophobicContact CG1-CD2 4.43Å; V772-F774 HydrophobicContact CG1-CE1 3.48Å; V772-F774 VanDerWaalsContact CG1-CE1 3.48Å; V772-F774 HydrophobicContact CG1-CE2 3.94Å; V772-F774 HydrophobicContact CG1-CG 4.49Å; V772-F774 VanDerWaalsContact CG1-CZ 3.43Å; V772-F774 HydrophobicContact CG1-CZ 3.43Å; F774-I777 HydrophobicContact CB-CD1 3.79Å; F774-I777 HydrophobicContact CB-CG1 4.03Å
775	E	89	Confident	75.2	Confident	21 Å²	21	65.5 Å²	65.5	10%	0.098	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	154.7	177.8	-172.4	161.3	-170	0	0	110.7	S701 S755 I757 Y773 I777	S701-E775 PolarHBondContact N-O 3.22Å; S701-E775 PolarHBondContact O-N 2.91Å; S755-E775 WeakPolarHBondContact CB-OE1 3.23Å; S755-E775 PolarHBondContact OG-OE1 3.32Å; I757-E775 WeakPolarHBondContact CD1-OE1 3.18Å; I757-E775 VanDerWaalsContact CG1-OE1 3.23Å; I757-E775 WeakPolarHBondContact CG1-OE1 3.18Å; I757-E775 WeakPolarHBondContact CG2-OE1 3.05Å; Y773-E775 HydrophobicContact CE1-CB 4.11Å; Y773-E775 PolarHBondContact OH-OE2 3.39Å; E775-I777 VanDerWaalsContact C-N 3.28Å; E775-I777 PolarHBondContact O-N 3.31Å
776	G	81.7	Confident	74.1	Confident	51 Å²	51	72.1 Å²	72.1	53%	0.526	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	64.8	32.2	177.5	0	0	0	0	0	113.3	S778	G776-S778 PolarHBondContact O-N 3.02Å
777	I	85	Confident	72.7	Confident	18 Å²	18	77.6 Å²	77.6	9%	0.092	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	119.8	-178.5	-57.1	163.6	0	0	0	109.5	T699 F726 C729 V730 A737 F774 E775	T699-I777 WeakPolarHBondContact O-CA 3.5Å; F726-I777 HydrophobicContact CB-CG2 3.8Å; F726-I777 HydrophobicContact CD1-CD1 4.09Å; F726-I777 HydrophobicContact CD1-CG1 4.34Å; F726-I777 HydrophobicContact CD1-CG2 4.1Å; F726-I777 HydrophobicContact CG-CG2 4.16Å; C729-I777 HydrophobicContact CB-CD1 4.1Å; C729-I777 HydrophobicContact CB-CG2 4.45Å; V730-I777 HydrophobicContact CG2-CG2 4.14Å; A737-I777 HydrophobicContact CB-CD1 3.79Å; F774-I777 HydrophobicContact CB-CD1 3.79Å; F774-I777 HydrophobicContact CB-CG1 4.03Å; E775-I777 VanDerWaalsContact C-N 3.28Å; E775-I777 PolarHBondContact O-N 3.31Å
778	S	82.9	Confident	71.5	Confident	70 Å²	70	76.4 Å²	76.4	49%	0.49	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	133.6	175.1	-179.7	0	0	0	0	109.7	C698 T699 G776	C698-S778 CarbonylContact C-O 3.5Å; C698-S778 WeakPolarHBondContact CA-O 3.32Å; C698-S778 WeakPolarHBondContact CB-O 3.5Å; T699-S778 PolarHBondContact N-O 2.9Å; T699-S778 PolarHBondContact O-N 3.17Å; G776-S778 PolarHBondContact O-N 3.02Å
779	C	83.4	Confident	70.2	Confident	11 Å²	11	78.6 Å²	78.6	7%	0.074	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	131.8	-178.7	-62.6	0	0	0	0	110.7	Y693 C698 V730 R781	Y693-C779 HydrophobicContact CD1-CB 4.4Å; C698-C779 HydrophobicContact CB-CB 4.08Å; C698-C779 WeakPolarHBondContact CB-SG 2.79Å; C698-C779 WeakPolarHBondContact SG-CB 3.45Å; C698-C779 CovalentContact SG-SG 2.05Å; C698-C779 PolarHBondContact SG-SG 3.21Å; V730-C779 HydrophobicContact CG2-CB 4.08Å; C779-R781 PolarHBondContact O-N 3.43Å
780	A	75.7	Confident	68.3	Low	51 Å²	51	79.6 Å²	79.6	42%	0.421	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-66.9	128.3	173.5	0	0	0	0	0	110.7	G696 S697	G696-A780 WeakPolarHBondContact CA-O 3.44Å; S697-A780 PolarHBondContact O-N 3.31Å; S697-A780 VanDerWaalsContact O-N 3.09Å
781	R	70.7	Confident	66.4	Low	142 Å²	142	91.2 Å²	91.2	54%	0.536	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-85.2	148.8	172.6	-66.8	-172.6	-174.5	-176.7	1.9	110.1	Y693 C779	Y693-R781 HydrophobicContact CD1-CG 4.22Å; Y693-R781 HydrophobicContact CE1-CG 3.65Å; C779-R781 PolarHBondContact O-N 3.43Å
782	K	64.3	Low	65.5	Low	101 Å²	101	95.8 Å²	95.8	44%	0.439	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-60.7	135.6	167.6	-78.5	-176.7	-179.6	172	0	109.4	S691 E692 V694 S784	S691-K782 PolarHBondContact O-NZ 2.85Å; E692-K782 WeakPolarHBondContact O-CB 3.47Å; E692-K782 PolarHBondContact O-N 3.26Å; V694-K782 WeakPolarHBondContact O-CE 3.46Å; K782-S784 PolarHBondContact O-N 3.12Å; K782-S784 VanDerWaalsContact O-N 3.12Å
783	P	58	Low	64.2	Low	121 Å²	121	99.7 Å²	99.7	79%	0.786	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-58.9	121.6	168.8	22.3	-28.9	0	0	0	108.4	N785	P783-N785 PolarHBondContact O-N 3.24Å
784	S	59.5	Low	62.7	Low	89 Å²	89	105.3 Å²	105.3	62%	0.622	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-63.6	123.1	175.9	65	0	0	0	0	108.4	K782 K786	K782-S784 PolarHBondContact O-N 3.12Å; K782-S784 VanDerWaalsContact O-N 3.12Å; S784-K786 PolarHBondContact O-N 2.75Å
785	N	45.2	Very low	61	Low	178 Å²	178	111.1 Å²	111.1	95%	0.952	60%	0.598	S	S	*	*			trans	-69.1	63.7	161	-97.4	-6.7	0	0	0	109.1	P783	P783-N785 PolarHBondContact O-N 3.24Å
786	K	47.1	Very low	59.2	Low	176 Å²	176	116.7 Å²	116.7	77%	0.765	63%	0.629	S	S	*	*			trans	-94.5	107.1	155.8	-76.1	-171.1	177.4	-178.7	0	105	S784	S784-K786 PolarHBondContact O-N 2.75Å
787	N	36.4	Very low	57.7	Low	141 Å²	141	121.1 Å²	121.1	75%	0.754	64%	0.636	S	S	*	*			trans	-38.3	134.6	174.6	-98.6	-25.4	0	0	0	110.9	S789	N787-S789 PolarHBondContact O-N 3.13Å
788	P	46.8	Very low	55.8	Low	130 Å²	130	128.4 Å²	128.4	84%	0.844	68%	0.675	S	S	*	*			trans	-71	73.6	158.4	30.7	-30	0	0	0	107.8	R790	P788-R790 PolarHBondContact O-N 2.81Å; P788-R790 VanDerWaalsContact O-N 3.13Å
789	S	39.5	Very low	53.7	Low	101 Å²	101	132.9 Å²	132.9	71%	0.706	69%	0.689	S	S	*	*			trans	-76.3	96	165.8	49.8	0	0	0	0	107.9	N787	N787-S789 PolarHBondContact O-N 3.13Å
790	R	32.8	Very low	51.2	Low	224 Å²	224	143.1 Å²	143.1	85%	0.845	74%	0.741	S	S	*	*			trans	14	117.2	148.4	-73	177	171.2	178.4	-3.5	116.2	P788	P788-R790 PolarHBondContact O-N 2.81Å; P788-R790 VanDerWaalsContact O-N 3.13Å
791	H	38.5	Very low	49	Very low	263 Å²	263	151.5 Å²	151.5	100%	1.218	77%	0.77	S	S	*	*				-158	0	102.8	-103.8	-56.2	0	0	0	111.8

Retrieved 791 of 791 residues in 232.7 ms (Link to these results)

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