A0A096MVB4_PAPAN Loading...

Lysyl oxidase homolog

Mediates the post-translational oxidative deamination of lysine residues on target proteins leading to the formation of deaminated lysine (allysine).

AlphaFold DB , UniProt , Accession A0A096MVB4, Species PAPAN (Papio anubis, Olive baboon), Gene LOXL3, Length 753 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	38.8	Very low	32.4	Very low	251 Å²	251	162.5 Å²	162.5	100%	1.236	82%	0.816	S	S	*	*				0	95.7	0	-69.9	166.3	178.8	0	0	107.3
2	R	28.7	Very low	32	Very low	241 Å²	241	171.3 Å²	171.3	91%	0.909	83%	0.833	S	S	*	*			trans	-152.7	170.6	-172	-81.7	-172.2	175	-170.8	-1	105.5
3	P	41.6	Very low	31.7	Very low	109 Å²	109	163.8 Å²	163.8	71%	0.708	83%	0.827	S	S	*	*			cis	-128.6	158	-10	15.9	10.4	0	0	0	112.7
4	V	35.4	Very low	31.6	Very low	127 Å²	127	164.2 Å²	164.2	77%	0.77	83%	0.831	S	S	*	*				47	109.5	96.3	-164.6	0	0	0	0	114.8	V6	V4-V6 PolarHBondContact O-N 2.83Å
5	S	28.6	Very low	31.5	Very low	122 Å²	122	163.4 Å²	163.4	85%	0.853	83%	0.829	S	S	*	*			trans	-83.8	107.5	170.6	56.6	0	0	0	0	111.4
6	V	29.8	Very low	31.3	Very low	89 Å²	89	164.2 Å²	164.2	54%	0.539	84%	0.835	S	S	.	*			trans	-67.9	147.5	157.2	179.9	0	0	0	0	107.5	V4	V4-V6 PolarHBondContact O-N 2.83Å
7	W	28.2	Very low	31.1	Very low	235 Å²	235	161.1 Å²	161.1	89%	0.89	83%	0.83	S	S	*	*				-161.1	124.2	73.1	-77.3	78.4	0	0	0	108.2
8	Q	26.9	Very low	31	Very low	166 Å²	166	160.5 Å²	160.5	78%	0.776	83%	0.828	S	S	*	*				72.5	128.1	62.6	-110.4	179.5	-9.1	0	0	117.1
9	W	27.5	Very low	31	Very low	245 Å²	245	161.1 Å²	161.1	93%	0.928	83%	0.832	S	S	*	*			trans	-61.6	159.3	-178.3	-60.6	6.2	0	0	0	114.2
10	S	29.3	Very low	30.8	Very low	99 Å²	99	159.3 Å²	159.3	69%	0.692	83%	0.832	S	S	*	*				148.3	-168.5	90.3	-158.5	0	0	0	0	108.4
11	P	41.2	Very low	30.7	Very low	104 Å²	104	157.2 Å²	157.2	68%	0.675	83%	0.831	S	S	*	*				-124.2	142	-74.1	32.7	-15.4	0	0	0	113.3
12	W	28.4	Very low	30.2	Very low	268 Å²	268	150.4 Å²	150.4	100%	1.015	81%	0.808	S	S	*	*			trans	-134.3	116.5	156.1	-73.3	51.6	0	0	0	104.3
13	G	27.8	Very low	30.2	Very low	74 Å²	74	144.4 Å²	144.4	76%	0.763	80%	0.802	S	S	*	*			cis	126.7	105.4	36.5	0	0	0	0	0	105.1
14	L	30.4	Very low	29.7	Very low	169 Å²	169	147.7 Å²	147.7	89%	0.885	81%	0.812	S	S	*	*			trans	-51.7	161.3	174.8	-98.3	109.2	0	0	0	112.8
15	L	29.5	Very low	29.4	Very low	152 Å²	152	145.3 Å²	145.3	80%	0.796	81%	0.814	S	S	*	*			trans	83.4	99.4	177.4	-80.5	82.3	0	0	0	116
16	L	29	Very low	29.5	Very low	176 Å²	176	145.1 Å²	145.1	92%	0.921	81%	0.813	S	S	*	*				-154	86.9	121	-120.4	109.6	0	0	0	109.1
17	C	28	Very low	29.6	Very low	111 Å²	111	147 Å²	147	75%	0.75	83%	0.827	S	S	*	*			trans	-66.1	150.3	151.8	-81	0	0	0	0	108.6
18	L	29.1	Very low	29.7	Very low	151 Å²	151	140.6 Å²	140.6	79%	0.791	82%	0.818	S	S	*	*			trans	77.2	93.5	162.1	-58.7	146.2	0	0	0	115.5
19	L	30.1	Very low	29.9	Very low	172 Å²	172	138.8 Å²	138.8	90%	0.901	82%	0.82	S	S	*	*				167.9	152.9	110.7	-85.4	156.4	0	0	0	110.3
20	C	28.5	Very low	30	Very low	124 Å²	124	132.5 Å²	132.5	84%	0.838	81%	0.814	S	S	*	*			trans	90.7	66.6	177.4	-66.1	0	0	0	0	117.5
21	S	28.2	Very low	30	Very low	116 Å²	116	133.9 Å²	133.9	81%	0.811	82%	0.818	S	S	*	*			trans	-43.8	130.8	131.3	-49.4	0	0	0	0	112
22	S	28.3	Very low	29.5	Very low	108 Å²	108	136.1 Å²	136.1	76%	0.755	82%	0.824	S	S	*	*				169.3	140.6	121	39.1	0	0	0	0	110.7
23	C	28.2	Very low	29.6	Very low	116 Å²	116	129.4 Å²	129.4	78%	0.784	82%	0.815	S	S	*	*	S	Bend	trans	87.9	87.4	174.5	-47.3	0	0	0	0	115.9
24	L	31.6	Very low	29.6	Very low	177 Å²	177	134.4 Å²	134.4	93%	0.927	82%	0.819	S	S	*	*				173.5	124.1	101.5	-87.4	152.7	0	0	0	108.7
25	G	28	Very low	29.6	Very low	78 Å²	78	136 Å²	136	80%	0.804	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-70	144.8	-167.9	0	0	0	0	0	113.9
26	S	31.1	Very low	29.7	Very low	118 Å²	118	140.5 Å²	140.5	83%	0.825	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-67.9	137.3	168.6	-31.1	0	0	0	0	110	S28	S26-S28 PolarHBondContact O-N 2.81Å
27	P	31.8	Very low	29.9	Very low	128 Å²	128	137.4 Å²	137.4	83%	0.831	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-72.6	130.8	169.6	28.8	-29	0	0	0	109.6
28	S	31.4	Very low	30.3	Very low	101 Å²	101	135 Å²	135	71%	0.706	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-61.9	157.7	173.9	33.3	0	0	0	0	112.6	S26 S30	S26-S28 PolarHBondContact O-N 2.81Å; S28-S30 PolarHBondContact O-N 3.39Å; S28-S30 VanDerWaalsContact O-N 3.13Å
29	P	31.3	Very low	31	Very low	127 Å²	127	130.7 Å²	130.7	83%	0.825	80%	0.801	S	S	*	*			trans	-67	113.2	175.6	27.7	-30.9	0	0	0	108.9	T31	P29-T31 PolarHBondContact O-N 3.27Å
30	S	29.5	Very low	32	Very low	113 Å²	113	131.2 Å²	131.2	79%	0.79	80%	0.799	S	S	*	*			trans	-75	109	173.9	28.3	0	0	0	0	108.9	S28	S28-S30 PolarHBondContact O-N 3.39Å; S28-S30 VanDerWaalsContact O-N 3.13Å
31	T	29.1	Very low	33.7	Very low	128 Å²	128	128.6 Å²	128.6	79%	0.785	79%	0.793	S	S	*	*			trans	-7.1	124.7	149.8	47.8	0	0	0	0	116	P29	P29-T31 PolarHBondContact O-N 3.27Å
32	D	29.8	Very low	36.1	Very low	151 Å²	151	123.9 Å²	123.9	81%	0.807	76%	0.759	S	S	*	*			trans	-41.1	135.7	160.7	-75.4	-52.2	0	0	0	110.9	E34	D32-E34 PolarHBondContact O-N 3.42Å
33	P	31	Very low	38.8	Very low	127 Å²	127	124.8 Å²	124.8	83%	0.825	75%	0.745	S	S	*	*			trans	-65.9	107	169.1	25	-27.9	0	0	0	108.8	K35	P33-K35 PolarHBondContact O-N 2.96Å
34	E	28.5	Very low	41.7	Very low	180 Å²	180	120.1 Å²	120.1	84%	0.841	71%	0.712	S	S	*	*			trans	-38.2	124.7	164.2	-160.4	170.7	-161.7	0	0	110.7	D32 R36	D32-E34 PolarHBondContact O-N 3.42Å; E34-R36 PolarHBondContact O-N 3.34Å
35	K	30.4	Very low	44.3	Very low	203 Å²	203	114.9 Å²	114.9	88%	0.883	68%	0.68	S	S	*	*			trans	-47.6	112.6	169.3	-83.8	178.3	174.1	177.2	0	108.7	P33 A37	P33-K35 PolarHBondContact O-N 2.96Å; K35-A37 PolarHBondContact O-N 2.83Å
36	R	31.3	Very low	47.2	Very low	246 Å²	246	112 Å²	112	93%	0.928	65%	0.646	S	S	*	*			trans	-58.9	107.2	168.3	-93.7	-179.9	172.3	179.4	-2.9	108.9	E34 G38	E34-R36 PolarHBondContact O-N 3.34Å; R36-G38 PolarHBondContact O-N 3.25Å
37	A	33.2	Very low	49.7	Very low	110 Å²	110	107 Å²	107	91%	0.909	61%	0.612	S	S	*	*			trans	-62.7	108.4	164.3	0	0	0	0	0	108.4	K35	K35-A37 PolarHBondContact O-N 2.83Å
38	G	36.3	Very low	51.7	Low	61 Å²	61	102 Å²	102	63%	0.629	58%	0.584	S	S	*	*			trans	-162.6	-24.3	-177.8	0	0	0	0	0	115.1	R36	R36-G38 PolarHBondContact O-N 3.25Å
39	S	43.3	Very low	52.8	Low	60 Å²	60	102.1 Å²	102.1	42%	0.42	57%	0.572	S	S	.	*	S	Bend	trans	-105.6	103.5	164.8	163	0	0	0	0	109.1	G41 L42	S39-G41 VanDerWaalsContact C-N 3.25Å; S39-G41 PolarHBondContact O-N 3.34Å; S39-L42 PolarHBondContact OG-O 2.02Å; S39-L42 VanDerWaalsContact OG-O 3.1Å
40	Q	50.9	Low	53.6	Low	184 Å²	184	98.9 Å²	98.9	86%	0.86	55%	0.551	S	S	*	*			trans	-65.9	81.3	170.4	-78.2	-101.6	-17.8	0	0	109.8	L42	Q40-L42 PolarHBondContact O-N 2.8Å
41	G	64.4	Low	55.8	Low	69 Å²	69	97.8 Å²	97.8	71%	0.711	53%	0.53	S	S	*	.	S	Bend	trans	59.3	12.9	166.2	0	0	0	0	0	116.7	S39	S39-G41 VanDerWaalsContact C-N 3.25Å; S39-G41 PolarHBondContact O-N 3.34Å
42	L	79.1	Confident	57.6	Low	16 Å²	16	95 Å²	95	8%	0.084	51%	0.506	C	S	.	.			trans	-88.1	133.8	174.7	-64.7	-180	0	0	0	109.1	S39 Q40 F44 I60 Q61 R62 T122 W129	S39-L42 PolarHBondContact OG-O 2.02Å; S39-L42 VanDerWaalsContact OG-O 3.1Å; Q40-L42 PolarHBondContact O-N 2.8Å; L42-F44 HydrophobicContact CB-CE2 4.03Å; L42-F44 HydrophobicContact CB-CZ 4.1Å; L42-F44 HydrophobicContact CD1-CZ 4.38Å; L42-I60 HydrophobicContact CB-CG2 4.49Å; L42-I60 HydrophobicContact CD2-CG2 4.04Å; L42-Q61 WeakPolarHBondContact CA-O 3.07Å; L42-R62 HydrophobicContact CD2-CB 3.69Å; L42-R62 HydrophobicContact CD2-CG 3.64Å; L42-T122 HydrophobicContact CD1-CG2 3.44Å; L42-T122 VanDerWaalsContact CD1-CG2 3.44Å; L42-W129 HydrophobicContact CD1-CH2 3.77Å; L42-W129 HydrophobicContact CD1-CZ2 4.05Å; L42-W129 HydrophobicContact CD2-CH2 4.38Å
43	R	84.2	Confident	59.8	Low	127 Å²	127	92.2 Å²	92.2	48%	0.479	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	147.6	171.3	-59.1	-176	172.5	173.7	-7.8	109.4	I60 Q61 W66	R43-I60 CarbonylContact O-C 3.58Å; R43-I60 WeakPolarHBondContact O-CA 3.27Å; R43-Q61 HydrophobicContact CB-CB 3.96Å; R43-Q61 PolarHBondContact N-O 3.04Å; R43-Q61 PolarHBondContact O-N 3.43Å; R43-W66 HydrophobicContact CB-CH2 4.08Å
44	F	89	Confident	62.3	Low	18 Å²	18	88.2 Å²	88.2	8%	0.079	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	144.6	-177.3	-59.7	-89	0	0	0	109.6	L42 E59 I60 L82 E85 L86 V121	L42-F44 HydrophobicContact CB-CE2 4.03Å; L42-F44 HydrophobicContact CB-CZ 4.1Å; L42-F44 HydrophobicContact CD1-CZ 4.38Å; F44-E59 WeakPolarHBondContact CA-O 3.49Å; F44-I60 HydrophobicContact CD1-CG1 3.89Å; F44-I60 HydrophobicContact CD1-CG2 4.41Å; F44-I60 HydrophobicContact CE1-CB 4.46Å; F44-I60 HydrophobicContact CE1-CD1 3.98Å; F44-I60 HydrophobicContact CE1-CG1 3.8Å; F44-I60 HydrophobicContact CE1-CG2 4.03Å; F44-L82 HydrophobicContact CD1-CD2 4.26Å; F44-L82 HydrophobicContact CE1-CD2 4.05Å; F44-E85 HydrophobicContact CD2-CB 3.95Å; F44-E85 HydrophobicContact CE2-CB 3.91Å; F44-E85 HydrophobicContact CE2-CG 4.13Å; F44-E85 WeakPolarHBondContact CE2-OE2 3.44Å; F44-E85 HydrophobicContact CG-CB 4.34Å; F44-E85 HydrophobicContact CZ-CB 4.26Å; F44-E85 HydrophobicContact CZ-CG 4.28Å; F44-L86 HydrophobicContact CB-CD2 3.54Å; F44-L86 HydrophobicContact CB-CG 4.04Å; F44-V121 HydrophobicContact CE1-CG1 3.85Å; F44-V121 HydrophobicContact CZ-CG1 3.77Å
45	R	87.3	Confident	65.2	Low	67 Å²	67	80.6 Å²	80.6	25%	0.253	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	156.5	169.1	71.8	-175.9	-178.4	-173.7	-0.3	111.7	E59 W66	R45-E59 HydrophobicContact CG-CB 3.89Å; R45-E59 IonicContact CZ-OE2 3.62Å; R45-E59 PolarHBondContact N-O 3.15Å; R45-E59 IonicContact NE-OE2 3.59Å; R45-E59 PolarHBondContact NE-OE2 2.94Å; R45-E59 IonicContact NH2-OE2 2.79Å; R45-E59 PolarHBondContact NH2-OE2 3.07Å; R45-E59 PolarHBondContact O-N 3.45Å; R45-W66 HydrophobicContact CB-CH2 4.03Å; R45-W66 HydrophobicContact CB-CZ3 4.04Å; R45-W66 HydrophobicContact CG-CE3 3.97Å; R45-W66 HydrophobicContact CG-CH2 3.82Å; R45-W66 HydrophobicContact CG-CZ3 3.5Å
46	L	87.6	Confident	68	Low	17 Å²	17	70.9 Å²	70.9	9%	0.089	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	122.6	167.9	-65.3	174.7	0	0	0	109.2	R51 R57 V58 L86 F88 V142	L46-R51 VanDerWaalsContact O-CZ 3.27Å; L46-R51 PolarHBondContact O-NE 3.13Å; L46-R51 PolarHBondContact O-NH2 3.11Å; L46-R57 WeakPolarHBondContact CA-O 2.92Å; L46-V58 HydrophobicContact CD2-CG2 4.16Å; L46-L86 HydrophobicContact CD1-CD1 4.36Å; L46-L86 HydrophobicContact CD2-CD1 3.58Å; L46-L86 HydrophobicContact CG-CD1 3.87Å; L46-L86 HydrophobicContact CG-CD2 4.21Å; L46-F88 HydrophobicContact CD1-CE2 4.14Å; L46-V142 HydrophobicContact CD2-CG2 3.57Å
47	A	83.4	Confident	71.1	Confident	14 Å²	14	60.3 Å²	60.3	12%	0.116	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	170.6	-178	0	0	0	0	0	111.3	R57 E59	A47-R57 PolarHBondContact N-O 2.75Å; A47-R57 PolarHBondContact O-N 2.8Å; A47-E59 HydrophobicContact CB-CG 4.1Å; A47-E59 WeakPolarHBondContact CB-OE1 3.34Å
48	G	74.4	Confident	74	Confident	24 Å²	24	55.1 Å²	55.1	25%	0.247	31%	0.305	C	S	.	.			trans	95.1	167.7	178.7	0	0	0	0	0	115.2	R51 Y100	G48-R51 WeakPolarHBondContact O-CD 3.31Å; G48-R51 VanDerWaalsContact O-CG 3.27Å; G48-R51 WeakPolarHBondContact O-CG 3.44Å; G48-Y100 CarbonylContact C-O 3.52Å; G48-Y100 WeakPolarHBondContact CA-O 2.93Å
49	F	54.5	Low	76.7	Confident	103 Å²	103	52.8 Å²	52.8	45%	0.452	28%	0.277	S	S	.	.	S	Bend	trans	-149.1	143.8	-179.6	-171.6	-89.8	0	0	0	110.3	Y100 L257 L338	F49-Y100 PolarHBondContact N-O 3.15Å; F49-Y100 VanDerWaalsContact N-O 3.15Å; F49-L257 HydrophobicContact CD1-CD2 4.18Å; F49-L257 HydrophobicContact CE1-CD1 4.24Å; F49-L257 HydrophobicContact CE1-CD2 4.21Å; F49-L338 HydrophobicContact CE1-CD2 4.26Å
50	P	49.3	Very low	79.1	Confident	59 Å²	59	49.9 Å²	49.9	38%	0.383	26%	0.257	S	S	.	.	S	Bend	cis	-76.9	137.1	-3.9	31.5	-33.6	0	0	0	112.2	Y100	P50-Y100 VanDerWaalsContact O-CD1 3.25Å; P50-Y100 WeakPolarHBondContact O-CD1 3.25Å; P50-Y100 WeakPolarHBondContact O-CE1 3.39Å
51	R	75.3	Confident	80.9	Confident	90 Å²	90	43 Å²	43	34%	0.34	23%	0.225	S	C	.	.			trans	-143.5	150.2	177.3	76.8	175.1	-178.2	79.2	-1.6	111.8	L46 G48 E55 Y100	L46-R51 VanDerWaalsContact O-CZ 3.27Å; L46-R51 PolarHBondContact O-NE 3.13Å; L46-R51 PolarHBondContact O-NH2 3.11Å; G48-R51 WeakPolarHBondContact O-CD 3.31Å; G48-R51 VanDerWaalsContact O-CG 3.27Å; G48-R51 WeakPolarHBondContact O-CG 3.44Å; R51-E55 HydrophobicContact CB-CG 4.3Å; R51-E55 WeakPolarHBondContact CB-O 3.38Å; R51-E55 WeakPolarHBondContact CD-O 3.16Å; R51-Y100 HydrophobicContact CB-CD1 3.84Å; R51-Y100 HydrophobicContact CB-CE1 4.05Å
52	K	66.9	Low	81.8	Confident	68 Å²	68	44.2 Å²	44.2	30%	0.296	21%	0.208	S	C	.	.			trans	-82.3	170	164.7	-62.7	178.6	-172.2	-179.3	0	111.2	Y54 E55	K52-Y54 HydrophobicContact CB-CD1 4.28Å; K52-Y54 HydrophobicContact CB-CD2 4.41Å; K52-Y54 HydrophobicContact CB-CE1 4.04Å; K52-Y54 HydrophobicContact CB-CE2 4.18Å; K52-Y54 HydrophobicContact CB-CG 4.49Å; K52-Y54 HydrophobicContact CD-CE1 3.96Å; K52-Y54 HydrophobicContact CD-CE2 3.74Å; K52-Y54 WeakPolarHBondContact CD-OH 2.98Å; K52-Y54 PolarHBondContact NZ-OH 3.41Å; K52-Y54 VanDerWaalsContact NZ-OH 3.08Å; K52-Y54 PolarHBondContact O-N 3.11Å; K52-Y54 VanDerWaalsContact O-N 3.16Å; K52-E55 HydrophobicContact CB-CG 3.94Å; K52-E55 VanDerWaalsContact CG-OE1 3.26Å; K52-E55 WeakPolarHBondContact CG-OE1 3.26Å; K52-E55 PolarHBondContact N-OE1 3.44Å; K52-E55 PolarHBondContact O-N 2.89Å
53	P	75.4	Confident	81.9	Confident	94 Å²	94	48.3 Å²	48.3	61%	0.61	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.4	177.8	-26.7	36.7	0	0	0	114.7
54	Y	82.7	Confident	81.7	Confident	42 Å²	42	45.1 Å²	45.1	17%	0.165	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	9.2	-176.7	54.1	-101.7	0	0	0	114.3	K52 F88 C144 D146	K52-Y54 HydrophobicContact CB-CD1 4.28Å; K52-Y54 HydrophobicContact CB-CD2 4.41Å; K52-Y54 HydrophobicContact CB-CE1 4.04Å; K52-Y54 HydrophobicContact CB-CE2 4.18Å; K52-Y54 HydrophobicContact CB-CG 4.49Å; K52-Y54 HydrophobicContact CD-CE1 3.96Å; K52-Y54 HydrophobicContact CD-CE2 3.74Å; K52-Y54 WeakPolarHBondContact CD-OH 2.98Å; K52-Y54 PolarHBondContact NZ-OH 3.41Å; K52-Y54 VanDerWaalsContact NZ-OH 3.08Å; K52-Y54 PolarHBondContact O-N 3.11Å; K52-Y54 VanDerWaalsContact O-N 3.16Å; Y54-F88 VanDerWaalsContact CA-CZ 3.49Å; Y54-F88 VanDerWaalsContact CB-CE1 3.47Å; Y54-C144 WeakPolarHBondContact CD2-O 3.34Å; Y54-C144 WeakPolarHBondContact O-CA 3.28Å; Y54-C144 VanDerWaalsContact O-CB 3.22Å; Y54-C144 WeakPolarHBondContact O-CB 3.37Å; Y54-C144 PolarHBondContact O-N 3.17Å; Y54-D146 HydrophobicContact CD1-CB 3.6Å; Y54-D146 WeakPolarHBondContact CD1-OD1 3.27Å; Y54-D146 HydrophobicContact CE1-CB 3.55Å; Y54-D146 VanDerWaalsContact CE1-OD2 3.29Å; Y54-D146 WeakPolarHBondContact CE1-OD2 3.06Å; Y54-D146 HydrophobicContact CG-CB 4.18Å
55	E	90.5	Very high	81.4	Confident	20 Å²	20	49.5 Å²	49.5	9%	0.093	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	158.2	174	70.8	-175.5	157.7	0	0	110.9	R51 K52 Y100 V142 I143	R51-E55 HydrophobicContact CB-CG 4.3Å; R51-E55 WeakPolarHBondContact CB-O 3.38Å; R51-E55 WeakPolarHBondContact CD-O 3.16Å; K52-E55 HydrophobicContact CB-CG 3.94Å; K52-E55 VanDerWaalsContact CG-OE1 3.26Å; K52-E55 WeakPolarHBondContact CG-OE1 3.26Å; K52-E55 PolarHBondContact N-OE1 3.44Å; K52-E55 PolarHBondContact O-N 2.89Å; E55-Y100 HydrophobicContact CG-CE1 3.95Å; E55-Y100 PolarHBondContact OE2-OH 2.77Å; E55-V142 WeakPolarHBondContact CA-O 3.35Å; E55-V142 WeakPolarHBondContact CB-O 3.39Å; E55-I143 HydrophobicContact CB-CB 4.31Å; E55-I143 HydrophobicContact CB-CG1 4.25Å; E55-I143 HydrophobicContact CB-CG2 4.13Å
56	G	89.7	Confident	81.6	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.7	172.7	177.8	0	0	0	0	0	113.4	Y100 G141 V142	G56-Y100 VanDerWaalsContact CA-CD2 3.48Å; G56-G141 CarbonylContact O-C 3.55Å; G56-G141 WeakPolarHBondContact O-CA 3.38Å; G56-V142 PolarHBondContact N-O 3.19Å; G56-V142 PolarHBondContact O-N 2.69Å
57	R	95	Very high	81.8	Confident	24 Å²	24	48.5 Å²	48.5	9%	0.091	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	132.9	168	-178.1	179.6	63.5	-113.4	4.3	108.7	L46 A47 E59 T68 Y100 G101 P102 D139	L46-R57 WeakPolarHBondContact CA-O 2.92Å; A47-R57 PolarHBondContact N-O 2.75Å; A47-R57 PolarHBondContact O-N 2.8Å; R57-E59 IonicContact CZ-OE1 2.8Å; R57-E59 IonicContact NE-OE1 3.7Å; R57-E59 PolarHBondContact NE-OE1 2.97Å; R57-E59 IonicContact NH2-OE1 3.42Å; R57-E59 PolarHBondContact NH2-OE1 2.95Å; R57-T68 HydrophobicContact CG-CG2 4.45Å; R57-Y100 PolarHBondContact NH1-O 3.04Å; R57-G101 VanDerWaalsContact NH1-C 3.35Å; R57-G101 PolarHBondContact NH1-O 2.84Å; R57-P102 PolarHBondContact NH1-O 3.19Å; R57-D139 HydrophobicContact CG-CB 4.11Å
58	V	93.9	Very high	82.4	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	126.6	-179.8	-177.7	0	0	0	0	109.6	L46 I69 L82 A140 V142	L46-V58 HydrophobicContact CD2-CG2 4.16Å; V58-I69 HydrophobicContact CB-CD1 4.05Å; V58-I69 HydrophobicContact CG1-CD1 3.71Å; V58-L82 HydrophobicContact CG1-CD1 4.41Å; V58-L82 HydrophobicContact CG1-CD2 4.12Å; V58-L82 HydrophobicContact CG2-CD1 4.44Å; V58-A140 PolarHBondContact N-O 2.04Å; V58-V142 HydrophobicContact CG2-CB 4.07Å; V58-V142 HydrophobicContact CG2-CG1 3.6Å; V58-V142 HydrophobicContact CG2-CG2 3.49Å; V58-V142 VanDerWaalsContact CG2-CG2 3.49Å
59	E	94.1	Very high	83.4	Confident	12 Å²	12	46.7 Å²	46.7	6%	0.056	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133.8	171.9	-69.1	179.5	-172.6	0	0	110.4	F44 R45 A47 R57 W66 G67 T68	F44-E59 WeakPolarHBondContact CA-O 3.49Å; R45-E59 HydrophobicContact CG-CB 3.89Å; R45-E59 IonicContact CZ-OE2 3.62Å; R45-E59 PolarHBondContact N-O 3.15Å; R45-E59 IonicContact NE-OE2 3.59Å; R45-E59 PolarHBondContact NE-OE2 2.94Å; R45-E59 IonicContact NH2-OE2 2.79Å; R45-E59 PolarHBondContact NH2-OE2 3.07Å; R45-E59 PolarHBondContact O-N 3.45Å; A47-E59 HydrophobicContact CB-CG 4.1Å; A47-E59 WeakPolarHBondContact CB-OE1 3.34Å; R57-E59 IonicContact CZ-OE1 2.8Å; R57-E59 IonicContact NE-OE1 3.7Å; R57-E59 PolarHBondContact NE-OE1 2.97Å; R57-E59 IonicContact NH2-OE1 3.42Å; R57-E59 PolarHBondContact NH2-OE1 2.95Å; E59-W66 HydrophobicContact CB-CE3 3.93Å; E59-W66 HydrophobicContact CB-CZ3 4.47Å; E59-W66 WeakPolarHBondContact O-CZ3 3.44Å; E59-G67 CarbonylContact C-O 3.6Å; E59-G67 VanDerWaalsContact CA-O 3.26Å; E59-G67 WeakPolarHBondContact CA-O 3.4Å; E59-T68 HydrophobicContact CG-CG2 4.03Å
60	I	92.9	Very high	85.4	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	127.6	179.1	-50.5	179.8	0	0	0	108.5	L42 R43 F44 W66 G67 I69 W108 L109 V121 W129	L42-I60 HydrophobicContact CB-CG2 4.49Å; L42-I60 HydrophobicContact CD2-CG2 4.04Å; R43-I60 CarbonylContact O-C 3.58Å; R43-I60 WeakPolarHBondContact O-CA 3.27Å; F44-I60 HydrophobicContact CD1-CG1 3.89Å; F44-I60 HydrophobicContact CD1-CG2 4.41Å; F44-I60 HydrophobicContact CE1-CB 4.46Å; F44-I60 HydrophobicContact CE1-CD1 3.98Å; F44-I60 HydrophobicContact CE1-CG1 3.8Å; F44-I60 HydrophobicContact CE1-CG2 4.03Å; I60-W66 WeakPolarHBondContact O-CA 3.36Å; I60-G67 PolarHBondContact N-O 3.01Å; I60-G67 PolarHBondContact O-N 3.37Å; I60-I69 HydrophobicContact CD1-CD1 3.7Å; I60-I69 HydrophobicContact CD1-CG1 3.88Å; I60-I69 HydrophobicContact CG1-CD1 4.13Å; I60-I69 HydrophobicContact CG1-CG1 4.26Å; I60-W108 PolarHBondContact O-NE1 3.36Å; I60-W108 VanDerWaalsContact O-NE1 3.15Å; I60-L109 HydrophobicContact CD1-CD1 3.54Å; I60-L109 HydrophobicContact CD1-CG 4.26Å; I60-V121 HydrophobicContact CD1-CG1 4.41Å; I60-W129 HydrophobicContact CD1-CH2 4.17Å; I60-W129 HydrophobicContact CD1-CZ3 4.1Å; I60-W129 HydrophobicContact CG2-CH2 4.37Å; I60-W129 HydrophobicContact CG2-CZ3 4.16Å
61	Q	88.6	Confident	87.6	Confident	38 Å²	38	39.8 Å²	39.8	18%	0.178	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	120.3	168.7	-160.6	176.8	43.3	0	0	109.7	L42 R43 G64 E65 W66	L42-Q61 WeakPolarHBondContact CA-O 3.07Å; R43-Q61 HydrophobicContact CB-CB 3.96Å; R43-Q61 PolarHBondContact N-O 3.04Å; R43-Q61 PolarHBondContact O-N 3.43Å; Q61-G64 PolarHBondContact NE2-O 3.16Å; Q61-E65 WeakPolarHBondContact CA-O 3.24Å; Q61-W66 HydrophobicContact CB-CD2 3.75Å; Q61-W66 HydrophobicContact CB-CE3 3.68Å; Q61-W66 HydrophobicContact CB-CG 4.47Å; Q61-W66 HydrophobicContact CB-CH2 3.85Å; Q61-W66 HydrophobicContact CB-CZ2 3.93Å; Q61-W66 HydrophobicContact CB-CZ3 3.72Å; Q61-W66 HydrophobicContact CG-CD2 4.07Å; Q61-W66 HydrophobicContact CG-CE3 4.49Å; Q61-W66 HydrophobicContact CG-CG 4.37Å; Q61-W66 HydrophobicContact CG-CZ2 4.32Å
62	R	84	Confident	88.4	Confident	95 Å²	95	38.7 Å²	38.7	36%	0.358	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	132.8	174.8	-170.4	172.6	-175.1	-132	6	109.6	L42 G64 E65 W108	L42-R62 HydrophobicContact CD2-CB 3.69Å; L42-R62 HydrophobicContact CD2-CG 3.64Å; R62-G64 PolarHBondContact O-N 2.92Å; R62-G64 VanDerWaalsContact O-N 3.16Å; R62-E65 PolarHBondContact N-O 3.39Å; R62-E65 PolarHBondContact O-N 2.85Å; R62-W108 HydrophobicContact CB-CZ2 4.16Å
63	A	81.1	Confident	89.4	Confident	103 Å²	103	40.7 Å²	40.7	85%	0.851	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	32.1	-177	0	0	0	0	0	114.3	E65	A63-E65 VanDerWaalsContact C-N 3.33Å
64	G	79.6	Confident	90.3	Very high	60 Å²	60	36.5 Å²	36.5	62%	0.619	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.3	-9.4	-179.7	0	0	0	0	0	115.2	Q61 R62	Q61-G64 PolarHBondContact NE2-O 3.16Å; R62-G64 PolarHBondContact O-N 2.92Å; R62-G64 VanDerWaalsContact O-N 3.16Å
65	E	84.1	Confident	90.7	Very high	109 Å²	109	36.5 Å²	36.5	51%	0.509	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	134.6	-178.7	-67.8	-179.8	176.5	0	0	111.6	Q61 R62 A63 W108	Q61-E65 WeakPolarHBondContact CA-O 3.24Å; R62-E65 PolarHBondContact N-O 3.39Å; R62-E65 PolarHBondContact O-N 2.85Å; A63-E65 VanDerWaalsContact C-N 3.33Å; E65-W108 HydrophobicContact CB-CZ2 4.1Å; E65-W108 PolarHBondContact O-NE1 3.37Å
66	W	89.7	Confident	90.9	Very high	62 Å²	62	38.6 Å²	38.6	24%	0.235	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	142.2	171.2	-69.5	100.1	0	0	0	110.4	R43 R45 E59 I60 Q61	R43-W66 HydrophobicContact CB-CH2 4.08Å; R45-W66 HydrophobicContact CB-CH2 4.03Å; R45-W66 HydrophobicContact CB-CZ3 4.04Å; R45-W66 HydrophobicContact CG-CE3 3.97Å; R45-W66 HydrophobicContact CG-CH2 3.82Å; R45-W66 HydrophobicContact CG-CZ3 3.5Å; E59-W66 HydrophobicContact CB-CE3 3.93Å; E59-W66 HydrophobicContact CB-CZ3 4.47Å; E59-W66 WeakPolarHBondContact O-CZ3 3.44Å; I60-W66 WeakPolarHBondContact O-CA 3.36Å; Q61-W66 HydrophobicContact CB-CD2 3.75Å; Q61-W66 HydrophobicContact CB-CE3 3.68Å; Q61-W66 HydrophobicContact CB-CG 4.47Å; Q61-W66 HydrophobicContact CB-CH2 3.85Å; Q61-W66 HydrophobicContact CB-CZ2 3.93Å; Q61-W66 HydrophobicContact CB-CZ3 3.72Å; Q61-W66 HydrophobicContact CG-CD2 4.07Å; Q61-W66 HydrophobicContact CG-CE3 4.49Å; Q61-W66 HydrophobicContact CG-CG 4.37Å; Q61-W66 HydrophobicContact CG-CZ2 4.32Å
67	G	92	Very high	91.1	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	168.6	174.7	0	0	0	0	0	112	E59 I60 R106	E59-G67 CarbonylContact C-O 3.6Å; E59-G67 VanDerWaalsContact CA-O 3.26Å; E59-G67 WeakPolarHBondContact CA-O 3.4Å; I60-G67 PolarHBondContact N-O 3.01Å; I60-G67 PolarHBondContact O-N 3.37Å; G67-R106 CarbonylContact C-O 3.52Å; G67-R106 WeakPolarHBondContact CA-O 3.21Å
68	T	95.7	Very high	91.1	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-175.8	-170.6	55.4	0	0	0	0	112.5	R57 E59 R106 W108 H136 D139	R57-T68 HydrophobicContact CG-CG2 4.45Å; E59-T68 HydrophobicContact CG-CG2 4.03Å; T68-R106 PolarHBondContact N-O 2.86Å; T68-W108 PolarHBondContact O-N 2.68Å; T68-H136 PolarHBondContact OG1-CE1 3.32Å; T68-H136 PolarHBondContact OG1-ND1 2.8Å; T68-D139 WeakPolarHBondContact CB-OD1 2.97Å; T68-D139 WeakPolarHBondContact CG2-OD2 3.48Å; T68-D139 PolarHBondContact OG1-OD1 3.39Å
69	I	96.7	Very high	91.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	134.9	176.9	-53.7	174.8	0	0	0	107	V58 I60 F74 L82 L109 L112 D139 A140	V58-I69 HydrophobicContact CB-CD1 4.05Å; V58-I69 HydrophobicContact CG1-CD1 3.71Å; I60-I69 HydrophobicContact CD1-CD1 3.7Å; I60-I69 HydrophobicContact CD1-CG1 3.88Å; I60-I69 HydrophobicContact CG1-CD1 4.13Å; I60-I69 HydrophobicContact CG1-CG1 4.26Å; I69-F74 HydrophobicContact CG2-CD2 3.87Å; I69-F74 HydrophobicContact CG2-CE2 3.79Å; I69-L82 HydrophobicContact CD1-CD1 3.76Å; I69-L82 HydrophobicContact CD1-CD2 4.07Å; I69-L109 WeakPolarHBondContact CA-O 3.42Å; I69-L109 HydrophobicContact CG1-CB 4.31Å; I69-L109 HydrophobicContact CG2-CB 3.92Å; I69-L112 HydrophobicContact CD1-CD2 4.44Å; I69-L112 HydrophobicContact CG2-CB 4.45Å; I69-L112 HydrophobicContact CG2-CD2 4.04Å; I69-D139 CarbonylContact O-C 3.51Å; I69-D139 WeakPolarHBondContact O-CA 3.34Å; I69-A140 WeakPolarHBondContact O-CB 3.23Å; I69-A140 PolarHBondContact O-N 3.31Å
70	C	96.4	Very high	91.2	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-73.2	149.4	174.3	-172.3	0	0	0	0	111.6	D72 I107 L109 D110 C134 E138	C70-D72 PolarHBondContact SG-N 3.15Å; C70-I107 HydrophobicContact CB-CG2 4.09Å; C70-L109 PolarHBondContact N-O 3.06Å; C70-D110 HydrophobicContact CB-CB 4.25Å; C70-C134 HydrophobicContact CB-CB 3.69Å; C70-C134 WeakPolarHBondContact CB-SG 3.04Å; C70-C134 WeakPolarHBondContact SG-CB 3.24Å; C70-C134 CovalentContact SG-SG 2.02Å; C70-C134 PolarHBondContact SG-SG 2.97Å; C70-E138 CarbonylContact C-O 3.06Å; C70-E138 WeakPolarHBondContact CA-O 3.1Å
71	D	94.9	Very high	91.3	Very high	17 Å²	17	43 Å²	43	9%	0.091	24%	0.239	C	C	.	.			trans	-81.9	-10.1	176.9	61.4	2	0	0	0	114.4	D73 F74 W94 H96 S97 E138 A140	D71-D73 PolarHBondContact O-N 2.96Å; D71-F74 WeakPolarHBondContact O-CB 3.47Å; D71-F74 PolarHBondContact O-N 2.8Å; D71-W94 HydrophobicContact CB-CZ3 3.96Å; D71-H96 HydrophobicContact CB-CB 3.87Å; D71-H96 WeakPolarHBondContact OD2-CA 3.43Å; D71-H96 VanDerWaalsContact OD2-CB 3.25Å; D71-H96 WeakPolarHBondContact OD2-CB 3.35Å; D71-S97 PolarHBondContact OD2-N 3.27Å; D71-E138 WeakPolarHBondContact CB-O 3.33Å; D71-E138 PolarHBondContact N-O 2.7Å; D71-E138 VanDerWaalsContact OD1-CB 3.3Å; D71-E138 WeakPolarHBondContact OD1-CB 3.47Å; D71-E138 VanDerWaalsContact OD1-O 3.11Å; D71-A140 HydrophobicContact CB-CB 4.15Å
72	D	92.8	Very high	91.6	Very high	66 Å²	66	41.2 Å²	41.2	35%	0.353	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	127.3	172.1	-86.1	-0.1	0	0	0	111.7	C70 F74 N111	C70-D72 PolarHBondContact SG-N 3.15Å; D72-F74 PolarHBondContact O-N 3.31Å; D72-N111 VanDerWaalsContact O-CA 3.29Å; D72-N111 WeakPolarHBondContact O-CA 3.3Å; D72-N111 PolarHBondContact O-N 2.97Å
73	D	88.8	Confident	92	Very high	110 Å²	110	36.7 Å²	36.7	59%	0.588	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.1	19.5	-171.8	-61.5	-41.8	0	0	0	114.8	D71 T75 N111	D71-D73 PolarHBondContact O-N 2.96Å; D73-T75 WeakPolarHBondContact O-CG2 3.11Å; D73-T75 PolarHBondContact O-N 3.48Å; D73-N111 HydrophobicContact CB-CB 4.37Å; D73-N111 PolarHBondContact OD2-ND2 2.9Å
74	F	93.8	Very high	92.5	Very high	6 Å²	6	35.1 Å²	35.1	3%	0.026	19%	0.186	C	C	.	.			trans	-73.6	128	178.8	-165.1	-75.9	0	0	0	109.7	I69 D71 D72 A78 A79 L82 W94 L112 A140 V142	I69-F74 HydrophobicContact CG2-CD2 3.87Å; I69-F74 HydrophobicContact CG2-CE2 3.79Å; D71-F74 WeakPolarHBondContact O-CB 3.47Å; D71-F74 PolarHBondContact O-N 2.8Å; D72-F74 PolarHBondContact O-N 3.31Å; F74-A78 HydrophobicContact CD1-CB 4.48Å; F74-A78 HydrophobicContact CE1-CB 4.31Å; F74-A78 HydrophobicContact CE2-CB 4.46Å; F74-A78 HydrophobicContact CZ-CB 4.32Å; F74-A79 HydrophobicContact CE1-CB 4.15Å; F74-L82 HydrophobicContact CE2-CD1 3.73Å; F74-L82 HydrophobicContact CZ-CD1 3.5Å; F74-W94 HydrophobicContact CB-CE3 4.2Å; F74-W94 HydrophobicContact CB-CH2 4.24Å; F74-W94 HydrophobicContact CB-CZ3 3.91Å; F74-W94 HydrophobicContact CD1-CB 4.14Å; F74-W94 AromaticContact CD1-CD2 3.6Å; F74-W94 HydrophobicContact CD1-CD2 3.6Å; F74-W94 AromaticContact CD1-CE3 3.43Å; F74-W94 HydrophobicContact CD1-CE3 3.43Å; F74-W94 VanDerWaalsContact CD1-CE3 3.43Å; F74-W94 AromaticContact CD1-CG 3.91Å; F74-W94 HydrophobicContact CD1-CG 3.91Å; F74-W94 HydrophobicContact CD1-CZ3 4.04Å; F74-W94 HydrophobicContact CE1-CB 3.77Å; F74-W94 HydrophobicContact CE1-CD2 4.17Å; F74-W94 HydrophobicContact CE1-CE3 4.1Å; F74-W94 HydrophobicContact CE1-CG 4.04Å; F74-W94 HydrophobicContact CG-CE3 4.11Å; F74-W94 HydrophobicContact CG-CZ3 4.3Å; F74-W94 WeakPolarHBondContact O-CH2 3.45Å; F74-W94 WeakPolarHBondContact O-CZ2 3.43Å; F74-L112 HydrophobicContact CD2-CB 4.4Å; F74-L112 HydrophobicContact CD2-CD2 4.3Å; F74-L112 HydrophobicContact CE2-CD2 4Å; F74-A140 HydrophobicContact CD1-CB 4.47Å; F74-A140 HydrophobicContact CD2-CB 3.61Å; F74-A140 HydrophobicContact CE2-CB 3.71Å; F74-A140 HydrophobicContact CG-CB 4Å; F74-A140 HydrophobicContact CZ-CB 4.19Å; F74-V142 HydrophobicContact CE1-CG1 4.28Å; F74-V142 HydrophobicContact CZ-CG1 3.95Å
75	T	91.4	Very high	93	Very high	43 Å²	43	33.9 Å²	33.9	26%	0.264	16%	0.164	S	C	.	.			trans	-118.2	165.2	-174.5	66.9	0	0	0	0	113.1	D73 Q77 A78 A79	D73-T75 WeakPolarHBondContact O-CG2 3.11Å; D73-T75 PolarHBondContact O-N 3.48Å; T75-Q77 VanDerWaalsContact CB-OE1 3.3Å; T75-Q77 PolarHBondContact O-N 2.78Å; T75-Q77 PolarHBondContact OG1-N 2.79Å; T75-Q77 PolarHBondContact OG1-OE1 2.69Å; T75-A78 WeakPolarHBondContact O-CB 3.42Å; T75-A78 PolarHBondContact O-N 3.18Å; T75-A78 VanDerWaalsContact O-N 3.08Å; T75-A78 PolarHBondContact OG1-N 3.01Å; T75-A79 PolarHBondContact O-N 2.61Å
76	L	93.3	Very high	93.2	Very high	63 Å²	63	29.5 Å²	29.5	33%	0.33	14%	0.144	S	C	.	.	H	α-helix	trans	-59	-31.6	171.2	-175	64.1	0	0	0	111.5	A79 H80 A91	L76-A79 HydrophobicContact CD1-CB 4.42Å; L76-A79 WeakPolarHBondContact O-CB 3.49Å; L76-A79 PolarHBondContact O-N 2.94Å; L76-H80 PolarHBondContact O-CD2 3.33Å; L76-H80 PolarHBondContact O-N 3.39Å; L76-A91 HydrophobicContact CD1-CB 4.22Å
77	Q	95.5	Very high	93	Very high	84 Å²	84	26.5 Å²	26.5	39%	0.393	13%	0.132	S	C	.	.	H	α-helix	trans	-64	-41.6	175.1	-67.9	73.9	25.7	0	0	111.5	T75 A79 H80 V81 C114	T75-Q77 VanDerWaalsContact CB-OE1 3.3Å; T75-Q77 PolarHBondContact O-N 2.78Å; T75-Q77 PolarHBondContact OG1-N 2.79Å; T75-Q77 PolarHBondContact OG1-OE1 2.69Å; Q77-A79 VanDerWaalsContact C-N 3.32Å; Q77-H80 PolarHBondContact O-N 3.29Å; Q77-V81 PolarHBondContact O-N 3.01Å; Q77-C114 WeakPolarHBondContact CB-O 3.46Å
78	A	94.9	Very high	92.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.2	-39.9	172.6	0	0	0	0	0	112	F74 T75 H80 V81 L82 L112 C114	F74-A78 HydrophobicContact CD1-CB 4.48Å; F74-A78 HydrophobicContact CE1-CB 4.31Å; F74-A78 HydrophobicContact CE2-CB 4.46Å; F74-A78 HydrophobicContact CZ-CB 4.32Å; T75-A78 WeakPolarHBondContact O-CB 3.42Å; T75-A78 PolarHBondContact O-N 3.18Å; T75-A78 VanDerWaalsContact O-N 3.08Å; T75-A78 PolarHBondContact OG1-N 3.01Å; A78-H80 VanDerWaalsContact C-N 3.34Å; A78-H80 PolarHBondContact O-N 2.77Å; A78-V81 PolarHBondContact O-N 2.82Å; A78-L82 WeakPolarHBondContact O-CG 3.44Å; A78-L82 PolarHBondContact O-N 3.46Å; A78-L112 HydrophobicContact CB-CD2 4.12Å; A78-L112 HydrophobicContact CB-CG 4.18Å; A78-C114 VanDerWaalsContact CA-SG 3.58Å; A78-C114 HydrophobicContact CB-CB 4.17Å
79	A	95.6	Very high	92.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.4	-40.5	174.3	0	0	0	0	0	112.6	F74 T75 L76 Q77 V81 L82 C83 A91 W94 V142	F74-A79 HydrophobicContact CE1-CB 4.15Å; T75-A79 PolarHBondContact O-N 2.61Å; L76-A79 HydrophobicContact CD1-CB 4.42Å; L76-A79 WeakPolarHBondContact O-CB 3.49Å; L76-A79 PolarHBondContact O-N 2.94Å; Q77-A79 VanDerWaalsContact C-N 3.32Å; A79-V81 VanDerWaalsContact C-N 3.34Å; A79-V81 PolarHBondContact O-N 2.88Å; A79-L82 PolarHBondContact O-N 2.82Å; A79-C83 WeakPolarHBondContact O-CB 3.43Å; A79-C83 PolarHBondContact O-N 3.1Å; A79-C83 PolarHBondContact O-SG 2.84Å; A79-A91 VanDerWaalsContact C-CB 3.49Å; A79-A91 HydrophobicContact CB-CB 3.64Å; A79-W94 HydrophobicContact CB-CB 3.9Å; A79-V142 HydrophobicContact CB-CB 4.45Å; A79-V142 HydrophobicContact CB-CG1 3.88Å
80	H	93.7	Very high	92	Very high	44 Å²	44	31.8 Å²	31.8	20%	0.204	16%	0.159	C	C	.	.	H	α-helix	trans	-59.7	-43.2	175.8	-81	-69.8	0	0	0	112.3	L76 Q77 A78 R84 A91	L76-H80 PolarHBondContact O-CD2 3.33Å; L76-H80 PolarHBondContact O-N 3.39Å; Q77-H80 PolarHBondContact O-N 3.29Å; A78-H80 VanDerWaalsContact C-N 3.34Å; A78-H80 PolarHBondContact O-N 2.77Å; H80-R84 WeakPolarHBondContact O-CG 3.33Å; H80-R84 PolarHBondContact O-N 2.88Å; H80-A91 PolarHBondContact CE1-O 3.05Å; H80-A91 PolarHBondContact ND1-N 3.47Å; H80-A91 VanDerWaalsContact ND1-N 3.17Å
81	V	95.5	Very high	91.8	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	16%	0.162	C	C	.	.	H	α-helix	trans	-63	-48	177	178.8	0	0	0	0	110.3	Q77 A78 A79 R84 E85 C114 E118 V121	Q77-V81 PolarHBondContact O-N 3.01Å; A78-V81 PolarHBondContact O-N 2.82Å; A79-V81 VanDerWaalsContact C-N 3.34Å; A79-V81 PolarHBondContact O-N 2.88Å; V81-R84 PolarHBondContact O-N 2.73Å; V81-E85 PolarHBondContact O-N 3.22Å; V81-C114 HydrophobicContact CG2-CB 3.98Å; V81-E118 HydrophobicContact CG1-CB 4.31Å; V81-E118 HydrophobicContact CG2-CB 4.01Å; V81-E118 WeakPolarHBondContact CG2-OE2 3.15Å; V81-V121 HydrophobicContact CG1-CB 4.5Å
82	L	94.3	Very high	91.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.1	-40.1	-179	-71.9	167.5	0	0	0	112.9	F44 V58 I69 F74 A78 A79 R84 E85 L86 L112 V121 V142	F44-L82 HydrophobicContact CD1-CD2 4.26Å; F44-L82 HydrophobicContact CE1-CD2 4.05Å; V58-L82 HydrophobicContact CG1-CD1 4.41Å; V58-L82 HydrophobicContact CG1-CD2 4.12Å; V58-L82 HydrophobicContact CG2-CD1 4.44Å; I69-L82 HydrophobicContact CD1-CD1 3.76Å; I69-L82 HydrophobicContact CD1-CD2 4.07Å; F74-L82 HydrophobicContact CE2-CD1 3.73Å; F74-L82 HydrophobicContact CZ-CD1 3.5Å; A78-L82 WeakPolarHBondContact O-CG 3.44Å; A78-L82 PolarHBondContact O-N 3.46Å; A79-L82 PolarHBondContact O-N 2.82Å; L82-R84 VanDerWaalsContact C-N 3.31Å; L82-R84 PolarHBondContact O-N 3.33Å; L82-E85 PolarHBondContact O-N 3.42Å; L82-L86 WeakPolarHBondContact O-CB 3.29Å; L82-L86 WeakPolarHBondContact O-CD1 3.26Å; L82-L86 VanDerWaalsContact O-CG 3.27Å; L82-L86 WeakPolarHBondContact O-CG 3.43Å; L82-L86 PolarHBondContact O-N 3.1Å; L82-L112 HydrophobicContact CD1-CD2 4.22Å; L82-V121 HydrophobicContact CD2-CB 4.1Å; L82-V121 HydrophobicContact CD2-CG2 3.9Å; L82-V121 HydrophobicContact CG-CG2 4.45Å; L82-V142 HydrophobicContact CB-CG1 4.26Å; L82-V142 HydrophobicContact CD1-CG1 4.24Å
83	C	93.3	Very high	91.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.8	-37.3	175.3	-78.4	0	0	0	0	111.9	A79 L86 G87 F88 A91 C144	A79-C83 WeakPolarHBondContact O-CB 3.43Å; A79-C83 PolarHBondContact O-N 3.1Å; A79-C83 PolarHBondContact O-SG 2.84Å; C83-L86 CarbonylContact O-C 3.48Å; C83-L86 PolarHBondContact O-N 2.89Å; C83-G87 PolarHBondContact O-N 2.86Å; C83-F88 HydrophobicContact CB-CB 4.25Å; C83-F88 WeakPolarHBondContact O-CA 3.39Å; C83-F88 WeakPolarHBondContact O-CB 3.44Å; C83-F88 PolarHBondContact O-N 3.1Å; C83-A91 HydrophobicContact CB-CB 4.27Å; C83-C144 VanDerWaalsContact CA-SG 3.53Å; C83-C144 HydrophobicContact CB-CB 3.86Å; C83-C144 WeakPolarHBondContact CB-SG 3.36Å; C83-C144 WeakPolarHBondContact SG-CA 3.14Å; C83-C144 WeakPolarHBondContact SG-CB 3.28Å; C83-C144 CovalentContact SG-SG 2.04Å; C83-C144 PolarHBondContact SG-SG 2.67Å
84	R	90.8	Very high	92	Very high	70 Å²	70	31.8 Å²	31.8	26%	0.264	16%	0.16	S	C	.	.	H	α-helix	trans	-66.8	-43.7	173.5	-72.8	-169.4	-56.2	-116.2	-0.3	112.8	H80 V81 L82 L86 G87 F88 G116 E118	H80-R84 WeakPolarHBondContact O-CG 3.33Å; H80-R84 PolarHBondContact O-N 2.88Å; V81-R84 PolarHBondContact O-N 2.73Å; L82-R84 VanDerWaalsContact C-N 3.31Å; L82-R84 PolarHBondContact O-N 3.33Å; R84-L86 PolarHBondContact O-N 3.48Å; R84-G87 WeakPolarHBondContact O-CA 3.42Å; R84-G87 PolarHBondContact O-N 3.15Å; R84-F88 WeakPolarHBondContact CA-O 3.47Å; R84-G116 VanDerWaalsContact CZ-O 3.31Å; R84-G116 PolarHBondContact NH1-O 3.03Å; R84-G116 PolarHBondContact NH2-O 2.67Å; R84-E118 PolarHBondContact NH2-O 2.97Å
85	E	90.2	Very high	91.8	Very high	35 Å²	35	31.9 Å²	31.9	16%	0.164	16%	0.162	C	C	.	.	H	α-helix	trans	-61.4	-32.6	174.4	-77.1	-89.4	-148.4	0	0	111.9	F44 V81 L82 G87 S120	F44-E85 HydrophobicContact CD2-CB 3.95Å; F44-E85 HydrophobicContact CE2-CB 3.91Å; F44-E85 HydrophobicContact CE2-CG 4.13Å; F44-E85 WeakPolarHBondContact CE2-OE2 3.44Å; F44-E85 HydrophobicContact CG-CB 4.34Å; F44-E85 HydrophobicContact CZ-CB 4.26Å; F44-E85 HydrophobicContact CZ-CG 4.28Å; V81-E85 PolarHBondContact O-N 3.22Å; L82-E85 PolarHBondContact O-N 3.42Å; E85-G87 VanDerWaalsContact C-N 3.26Å; E85-G87 PolarHBondContact O-N 2.75Å; E85-S120 WeakPolarHBondContact OE1-CA 3.44Å; E85-S120 WeakPolarHBondContact OE1-CB 3.41Å; E85-S120 PolarHBondContact OE1-OG 2.97Å
86	L	88.3	Confident	91.9	Very high	16 Å²	16	35.3 Å²	35.3	8%	0.084	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-3.1	172.5	-73.1	163.2	0	0	0	114	F44 L46 L82 C83 R84 F88 V142 R148	F44-L86 HydrophobicContact CB-CD2 3.54Å; F44-L86 HydrophobicContact CB-CG 4.04Å; L46-L86 HydrophobicContact CD1-CD1 4.36Å; L46-L86 HydrophobicContact CD2-CD1 3.58Å; L46-L86 HydrophobicContact CG-CD1 3.87Å; L46-L86 HydrophobicContact CG-CD2 4.21Å; L82-L86 WeakPolarHBondContact O-CB 3.29Å; L82-L86 WeakPolarHBondContact O-CD1 3.26Å; L82-L86 VanDerWaalsContact O-CG 3.27Å; L82-L86 WeakPolarHBondContact O-CG 3.43Å; L82-L86 PolarHBondContact O-N 3.1Å; C83-L86 CarbonylContact O-C 3.48Å; C83-L86 PolarHBondContact O-N 2.89Å; R84-L86 PolarHBondContact O-N 3.48Å; L86-F88 HydrophobicContact CB-CD2 3.9Å; L86-F88 HydrophobicContact CB-CE2 4.15Å; L86-V142 HydrophobicContact CD1-CG2 3.99Å; L86-R148 PolarHBondContact O-NH1 3.28Å
87	G	84.9	Confident	91.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	89	14	176.4	0	0	0	0	0	116.1	C83 R84 E85 R148 L149	C83-G87 PolarHBondContact O-N 2.86Å; R84-G87 WeakPolarHBondContact O-CA 3.42Å; R84-G87 PolarHBondContact O-N 3.15Å; E85-G87 VanDerWaalsContact C-N 3.26Å; E85-G87 PolarHBondContact O-N 2.75Å; G87-R148 WeakPolarHBondContact O-CA 3.35Å; G87-R148 VanDerWaalsContact O-CD 3.24Å; G87-R148 WeakPolarHBondContact O-CD 3.4Å; G87-L149 PolarHBondContact O-N 3.01Å; G87-L149 VanDerWaalsContact O-N 3.08Å
88	F	87.2	Confident	91.3	Very high	5 Å²	5	32.3 Å²	32.3	2%	0.022	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-95.6	158.9	173.7	-61.4	-81.3	0	0	0	111.5	L46 Y54 C83 R84 L86 C144 K145 Q147 R148 L149	L46-F88 HydrophobicContact CD1-CE2 4.14Å; Y54-F88 VanDerWaalsContact CA-CZ 3.49Å; Y54-F88 VanDerWaalsContact CB-CE1 3.47Å; C83-F88 HydrophobicContact CB-CB 4.25Å; C83-F88 WeakPolarHBondContact O-CA 3.39Å; C83-F88 WeakPolarHBondContact O-CB 3.44Å; C83-F88 PolarHBondContact O-N 3.1Å; R84-F88 WeakPolarHBondContact CA-O 3.47Å; L86-F88 HydrophobicContact CB-CD2 3.9Å; L86-F88 HydrophobicContact CB-CE2 4.15Å; F88-C144 HydrophobicContact CB-CB 3.69Å; F88-C144 HydrophobicContact CD1-CB 4.07Å; F88-C144 HydrophobicContact CD2-CB 3.69Å; F88-C144 HydrophobicContact CE2-CB 4.33Å; F88-C144 HydrophobicContact CG-CB 3.53Å; F88-K145 VanDerWaalsContact CD1-O 3.28Å; F88-K145 WeakPolarHBondContact CD1-O 3.32Å; F88-Q147 WeakPolarHBondContact CA-O 3.5Å; F88-R148 VanDerWaalsContact CE1-CZ 3.48Å; F88-L149 WeakPolarHBondContact O-CD1 3.45Å
89	T	87.1	Confident	90.9	Very high	35 Å²	35	36.2 Å²	36.2	22%	0.215	19%	0.186	C	C	.	.	S	Bend	trans	-68.7	-42.9	-178.8	50.1	0	0	0	0	112.6	Q147 L149	T89-Q147 HydrophobicContact CG2-CB 4.13Å; T89-Q147 HydrophobicContact CG2-CG 3.78Å; T89-Q147 PolarHBondContact N-O 3.16Å; T89-Q147 PolarHBondContact OG1-O 3.27Å; T89-L149 HydrophobicContact CG2-CD2 4.14Å
90	E	90.2	Very high	90.2	Very high	73 Å²	73	36.6 Å²	36.6	34%	0.341	19%	0.187	S	C	.	.			trans	-160.8	165.4	-176.2	63.5	-171.8	146.8	0	0	112.1	C144 K145	E90-C144 WeakPolarHBondContact O-CA 3.34Å; E90-K145 HydrophobicContact CG-CB 3.88Å; E90-K145 HydrophobicContact CG-CD 3.72Å; E90-K145 PolarHBondContact O-N 3.5Å; E90-K145 WeakPolarHBondContact OE1-CD 3.42Å; E90-K145 WeakPolarHBondContact OE1-CE 3.39Å; E90-K145 IonicContact OE1-NZ 3.77Å; E90-K145 PolarHBondContact OE1-NZ 2.91Å
91	A	92.2	Very high	89.5	Confident	6 Å²	6	35.6 Å²	35.6	5%	0.05	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	142.1	167.6	0	0	0	0	0	110.7	L76 A79 H80 C83 I143	L76-A91 HydrophobicContact CD1-CB 4.22Å; A79-A91 VanDerWaalsContact C-CB 3.49Å; A79-A91 HydrophobicContact CB-CB 3.64Å; H80-A91 PolarHBondContact CE1-O 3.05Å; H80-A91 PolarHBondContact ND1-N 3.47Å; H80-A91 VanDerWaalsContact ND1-N 3.17Å; C83-A91 HydrophobicContact CB-CB 4.27Å; A91-I143 CarbonylContact C-O 3.35Å; A91-I143 WeakPolarHBondContact CA-O 3.34Å
92	T	92.1	Very high	89	Confident	91 Å²	91	39.1 Å²	39.1	56%	0.558	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	-14.4	167.2	54.1	0	0	0	0	111.8	I143 K145	T92-I143 PolarHBondContact N-O 3.28Å; T92-I143 WeakPolarHBondContact OG1-CG2 3.24Å; T92-I143 PolarHBondContact OG1-O 3.33Å; T92-K145 HydrophobicContact CG2-CB 4.01Å; T92-K145 HydrophobicContact CG2-CG 4.4Å
93	G	92.1	Very high	88.5	Confident	13 Å²	13	39.4 Å²	39.4	13%	0.134	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	-179.7	178	0	0	0	0	0	112.6	I143	G93-I143 PolarHBondContact N-O 2.69Å; G93-I143 VanDerWaalsContact N-O 3.11Å; G93-I143 PolarHBondContact O-N 3.09Å; G93-I143 VanDerWaalsContact O-O 3.14Å
94	W	95.8	Very high	88	Confident	82 Å²	82	45 Å²	45	31%	0.311	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	169.5	171.2	72.4	-83.9	0	0	0	109.3	D71 F74 A79 H96 G141	D71-W94 HydrophobicContact CB-CZ3 3.96Å; F74-W94 HydrophobicContact CB-CE3 4.2Å; F74-W94 HydrophobicContact CB-CH2 4.24Å; F74-W94 HydrophobicContact CB-CZ3 3.91Å; F74-W94 HydrophobicContact CD1-CB 4.14Å; F74-W94 AromaticContact CD1-CD2 3.6Å; F74-W94 HydrophobicContact CD1-CD2 3.6Å; F74-W94 AromaticContact CD1-CE3 3.43Å; F74-W94 HydrophobicContact CD1-CE3 3.43Å; F74-W94 VanDerWaalsContact CD1-CE3 3.43Å; F74-W94 AromaticContact CD1-CG 3.91Å; F74-W94 HydrophobicContact CD1-CG 3.91Å; F74-W94 HydrophobicContact CD1-CZ3 4.04Å; F74-W94 HydrophobicContact CE1-CB 3.77Å; F74-W94 HydrophobicContact CE1-CD2 4.17Å; F74-W94 HydrophobicContact CE1-CE3 4.1Å; F74-W94 HydrophobicContact CE1-CG 4.04Å; F74-W94 HydrophobicContact CG-CE3 4.11Å; F74-W94 HydrophobicContact CG-CZ3 4.3Å; F74-W94 WeakPolarHBondContact O-CH2 3.45Å; F74-W94 WeakPolarHBondContact O-CZ2 3.43Å; A79-W94 HydrophobicContact CB-CB 3.9Å; W94-H96 HydrophobicContact CH2-CB 4.01Å; W94-H96 HydrophobicContact CZ3-CB 3.67Å; W94-G141 CarbonylContact C-O 3.41Å; W94-G141 VanDerWaalsContact CA-O 3.28Å; W94-G141 WeakPolarHBondContact CA-O 3.16Å; W94-G141 WeakPolarHBondContact CB-O 3.27Å
95	T	90.3	Very high	87.8	Confident	9 Å²	9	44.7 Å²	44.7	6%	0.055	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	135.5	-171.4	66.9	0	0	0	0	110.5	K99 Y100 A140 G141 I143	T95-K99 HydrophobicContact CG2-CD 3.31Å; T95-Y100 HydrophobicContact CG2-CE2 3.79Å; T95-Y100 VanDerWaalsContact OG1-CE2 3.28Å; T95-Y100 WeakPolarHBondContact OG1-CE2 3.13Å; T95-A140 WeakPolarHBondContact O-CA 3.25Å; T95-G141 PolarHBondContact N-O 3.36Å; T95-G141 PolarHBondContact O-N 2.77Å; T95-G141 VanDerWaalsContact OG1-CA 3.24Å; T95-G141 WeakPolarHBondContact OG1-CA 3.25Å; T95-G141 PolarHBondContact OG1-N 2.83Å; T95-I143 HydrophobicContact CG2-CD1 3.8Å; T95-I143 HydrophobicContact CG2-CG1 3.93Å
96	H	92.1	Very high	87.8	Confident	114 Å²	114	48.9 Å²	48.9	53%	0.528	28%	0.282	S	S	.	.			trans	-101.7	179.4	177.2	67.6	81.6	0	0	0	110.9	D71 W94 A98 K99	D71-H96 HydrophobicContact CB-CB 3.87Å; D71-H96 WeakPolarHBondContact OD2-CA 3.43Å; D71-H96 VanDerWaalsContact OD2-CB 3.25Å; D71-H96 WeakPolarHBondContact OD2-CB 3.35Å; W94-H96 HydrophobicContact CH2-CB 4.01Å; W94-H96 HydrophobicContact CZ3-CB 3.67Å; H96-A98 VanDerWaalsContact C-N 3.32Å; H96-A98 PolarHBondContact O-N 3.16Å; H96-K99 PolarHBondContact O-N 3.43Å
97	S	90.1	Very high	88.1	Confident	72 Å²	72	48.9 Å²	48.9	50%	0.503	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	45	173	-52.8	0	0	0	0	114.2	D71 K99 D137	D71-S97 PolarHBondContact OD2-N 3.27Å; S97-K99 PolarHBondContact O-N 3.42Å; S97-K99 VanDerWaalsContact O-N 3.09Å; S97-D137 CarbonylContact C-O 3.38Å; S97-D137 WeakPolarHBondContact CA-O 3.31Å
98	A	87.3	Confident	88.6	Confident	12 Å²	12	49.7 Å²	49.7	10%	0.099	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	40.1	175.7	0	0	0	0	0	113.9	H96 Y100 G101 P102 H136 D137 D139	H96-A98 VanDerWaalsContact C-N 3.32Å; H96-A98 PolarHBondContact O-N 3.16Å; A98-Y100 PolarHBondContact O-N 2.76Å; A98-G101 CarbonylContact O-C 3.57Å; A98-G101 VanDerWaalsContact O-CA 3.24Å; A98-G101 WeakPolarHBondContact O-CA 3.46Å; A98-G101 PolarHBondContact O-N 2.74Å; A98-P102 HydrophobicContact CB-CB 4.4Å; A98-H136 VanDerWaalsContact CB-O 3.24Å; A98-H136 WeakPolarHBondContact CB-O 3.19Å; A98-D137 PolarHBondContact N-O 3.18Å; A98-D139 WeakPolarHBondContact CA-O 3.24Å; A98-D139 HydrophobicContact CB-CB 4.35Å; A98-D139 PolarHBondContact N-O 2.67Å; A98-D139 VanDerWaalsContact N-O 3.16Å
99	K	85	Confident	89	Confident	83 Å²	83	49.5 Å²	49.5	36%	0.361	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-37.2	-177.9	-177.2	-164.4	176.2	-171.6	0	114.1	T95 H96 S97 G101	T95-K99 HydrophobicContact CG2-CD 3.31Å; H96-K99 PolarHBondContact O-N 3.43Å; S97-K99 PolarHBondContact O-N 3.42Å; S97-K99 VanDerWaalsContact O-N 3.09Å; K99-G101 PolarHBondContact O-N 3.41Å
100	Y	81.3	Confident	89.4	Confident	7 Å²	7	47.9 Å²	47.9	3%	0.027	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	19.1	179	-59.1	-74.9	0	0	0	112.8	G48 F49 P50 R51 E55 G56 R57 T95 A98	G48-Y100 CarbonylContact C-O 3.52Å; G48-Y100 WeakPolarHBondContact CA-O 2.93Å; F49-Y100 PolarHBondContact N-O 3.15Å; F49-Y100 VanDerWaalsContact N-O 3.15Å; P50-Y100 VanDerWaalsContact O-CD1 3.25Å; P50-Y100 WeakPolarHBondContact O-CD1 3.25Å; P50-Y100 WeakPolarHBondContact O-CE1 3.39Å; R51-Y100 HydrophobicContact CB-CD1 3.84Å; R51-Y100 HydrophobicContact CB-CE1 4.05Å; E55-Y100 HydrophobicContact CG-CE1 3.95Å; E55-Y100 PolarHBondContact OE2-OH 2.77Å; G56-Y100 VanDerWaalsContact CA-CD2 3.48Å; R57-Y100 PolarHBondContact NH1-O 3.04Å; T95-Y100 HydrophobicContact CG2-CE2 3.79Å; T95-Y100 VanDerWaalsContact OG1-CE2 3.28Å; T95-Y100 WeakPolarHBondContact OG1-CE2 3.13Å; A98-Y100 PolarHBondContact O-N 2.76Å
101	G	78.9	Confident	89.6	Confident	24 Å²	24	46.6 Å²	46.6	25%	0.247	27%	0.27	C	S	.	.			trans	91	156.4	-170.6	0	0	0	0	0	112	R57 A98 K99	R57-G101 VanDerWaalsContact NH1-C 3.35Å; R57-G101 PolarHBondContact NH1-O 2.84Å; A98-G101 CarbonylContact O-C 3.57Å; A98-G101 VanDerWaalsContact O-CA 3.24Å; A98-G101 WeakPolarHBondContact O-CA 3.46Å; A98-G101 PolarHBondContact O-N 2.74Å; K99-G101 PolarHBondContact O-N 3.41Å
102	P	84.7	Confident	89.6	Confident	74 Å²	74	46.3 Å²	46.3	48%	0.481	27%	0.268	S	S	.	.			trans	-67.8	144	171.9	28.4	-33.8	0	0	0	110.3	R57 A98 H136	R57-P102 PolarHBondContact NH1-O 3.19Å; A98-P102 HydrophobicContact CB-CB 4.4Å; P102-H136 WeakPolarHBondContact CA-O 3.12Å; P102-H136 HydrophobicContact CB-CB 3.82Å; P102-H136 WeakPolarHBondContact CB-O 3.41Å
103	G	84.6	Confident	89.6	Confident	6 Å²	6	45.1 Å²	45.1	6%	0.062	26%	0.263	C	S	.	.			trans	-78.7	-171	168	0	0	0	0	0	112.1	H136 D139	G103-H136 PolarHBondContact O-CD2 3.19Å; G103-H136 VanDerWaalsContact O-CG 3.27Å; G103-D139 VanDerWaalsContact CA-OD2 3.23Å; G103-D139 WeakPolarHBondContact CA-OD2 3.45Å; G103-D139 PolarHBondContact N-OD2 2.83Å
104	T	83.1	Confident	89.8	Confident	117 Å²	117	45 Å²	45	72%	0.718	26%	0.26	S	S	*	.			trans	-142.1	145.8	178.3	59	0	0	0	0	109.6	H136	T104-H136 VanDerWaalsContact C-NE2 3.29Å; T104-H136 WeakPolarHBondContact CA-NE2 2.99Å
105	G	87.1	Confident	89.5	Confident	65 Å²	65	44.4 Å²	44.4	67%	0.67	27%	0.268	S	S	*	.	S	Bend	trans	99.7	-132.8	174.7	0	0	0	0	0	111.6	H136	G105-H136 PolarHBondContact N-NE2 2.82Å; G105-H136 VanDerWaalsContact N-NE2 3.11Å; G105-H136 PolarHBondContact O-NE2 3.06Å; G105-H136 VanDerWaalsContact O-NE2 3.13Å
106	R	89.9	Confident	89.4	Confident	123 Å²	123	44.5 Å²	44.5	46%	0.464	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	140.2	-173.3	-166.4	-175.5	-71.7	-114.9	3.8	110.6	G67 T68 W108	G67-R106 CarbonylContact C-O 3.52Å; G67-R106 WeakPolarHBondContact CA-O 3.21Å; T68-R106 PolarHBondContact N-O 2.86Å; R106-W108 VanDerWaalsContact CD-CE3 3.5Å; R106-W108 HydrophobicContact CG-CE3 4.36Å; R106-W108 HydrophobicContact CG-CZ3 4.43Å
107	I	94.5	Very high	89.3	Confident	16 Å²	16	44.2 Å²	44.2	8%	0.082	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	113.3	165	-54.5	180	0	0	0	107.1	C70 G130 C134	C70-I107 HydrophobicContact CB-CG2 4.09Å; I107-G130 WeakPolarHBondContact O-CA 3.35Å; I107-C134 HydrophobicContact CD1-CB 3.85Å; I107-C134 WeakPolarHBondContact CD1-O 3.03Å
108	W	95	Very high	89.4	Confident	17 Å²	17	42.1 Å²	42.1	6%	0.064	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	-35.5	-172.9	-81.7	130.9	0	0	0	113.6	I60 R62 E65 T68 R106 W129 G130	I60-W108 PolarHBondContact O-NE1 3.36Å; I60-W108 VanDerWaalsContact O-NE1 3.15Å; R62-W108 HydrophobicContact CB-CZ2 4.16Å; E65-W108 HydrophobicContact CB-CZ2 4.1Å; E65-W108 PolarHBondContact O-NE1 3.37Å; T68-W108 PolarHBondContact O-N 2.68Å; R106-W108 VanDerWaalsContact CD-CE3 3.5Å; R106-W108 HydrophobicContact CG-CE3 4.36Å; R106-W108 HydrophobicContact CG-CZ3 4.43Å; W108-W129 HydrophobicContact CB-CE3 3.95Å; W108-W129 HydrophobicContact CB-CZ3 4.01Å; W108-W129 HydrophobicContact CE3-CE3 4.34Å; W108-W129 HydrophobicContact CG-CE3 4.37Å; W108-W129 HydrophobicContact CG-CZ3 4.45Å; W108-W129 CarbonylContact O-C 3.49Å; W108-W129 VanDerWaalsContact O-CA 3.27Å; W108-W129 WeakPolarHBondContact O-CA 3.47Å; W108-G130 PolarHBondContact O-N 2.72Å
109	L	95.5	Very high	89.3	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	144.5	-175.5	-67.7	174.2	0	0	0	109.8	I60 I69 C70 L112 V121 W129	I60-L109 HydrophobicContact CD1-CD1 3.54Å; I60-L109 HydrophobicContact CD1-CG 4.26Å; I69-L109 WeakPolarHBondContact CA-O 3.42Å; I69-L109 HydrophobicContact CG1-CB 4.31Å; I69-L109 HydrophobicContact CG2-CB 3.92Å; C70-L109 PolarHBondContact N-O 3.06Å; L109-L112 HydrophobicContact CD1-CD1 4.1Å; L109-L112 HydrophobicContact CD1-CD2 4.28Å; L109-V121 HydrophobicContact CD1-CG1 4.26Å; L109-V121 HydrophobicContact CD1-CG2 3.66Å; L109-W129 HydrophobicContact CD1-CH2 3.87Å; L109-W129 HydrophobicContact CD1-CZ2 4.38Å; L109-W129 HydrophobicContact CD1-CZ3 4.09Å; L109-W129 HydrophobicContact CD2-CD2 3.83Å; L109-W129 HydrophobicContact CD2-CE3 3.86Å; L109-W129 HydrophobicContact CD2-CG 4.43Å; L109-W129 HydrophobicContact CD2-CH2 4.05Å; L109-W129 HydrophobicContact CD2-CZ2 4Å; L109-W129 HydrophobicContact CD2-CZ3 3.98Å; L109-W129 HydrophobicContact CG-CE3 4.11Å; L109-W129 HydrophobicContact CG-CH2 4.09Å; L109-W129 HydrophobicContact CG-CZ3 3.86Å
110	D	95.3	Very high	89.4	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.272	C	S	.	.			trans	-149.1	150.6	-177.2	-166.6	-2.6	0	0	0	108.7	C70 L112 S126 R127 S132 D133	C70-D110 HydrophobicContact CB-CB 4.25Å; D110-L112 VanDerWaalsContact C-N 3.28Å; D110-L112 PolarHBondContact O-N 3.23Å; D110-S126 WeakPolarHBondContact O-CA 3.4Å; D110-S126 WeakPolarHBondContact O-CB 3.47Å; D110-R127 HydrophobicContact CB-CB 4.17Å; D110-R127 PolarHBondContact O-N 3.19Å; D110-S132 WeakPolarHBondContact OD2-CA 3.17Å; D110-S132 VanDerWaalsContact OD2-CB 3.26Å; D110-S132 WeakPolarHBondContact OD2-CB 3.47Å; D110-S132 PolarHBondContact OD2-OG 2.98Å; D110-D133 PolarHBondContact OD2-N 3.35Å
111	N	93.8	Very high	89.9	Confident	47 Å²	47	44.6 Å²	44.6	25%	0.251	27%	0.271	S	S	.	.	S	Bend	trans	46.4	51	-168.8	-56.3	79.2	0	0	0	111.6	D72 D73 S113	D72-N111 VanDerWaalsContact O-CA 3.29Å; D72-N111 WeakPolarHBondContact O-CA 3.3Å; D72-N111 PolarHBondContact O-N 2.97Å; D73-N111 HydrophobicContact CB-CB 4.37Å; D73-N111 PolarHBondContact OD2-ND2 2.9Å; N111-S113 PolarHBondContact O-N 3.41Å; N111-S113 VanDerWaalsContact O-N 3.1Å
112	L	94	Very high	90.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	28%	0.281	C	S	.	.			trans	-77.4	99.3	-171.2	-176.4	64.7	0	0	0	111.5	I69 F74 A78 L82 L109 D110 V121 C124	I69-L112 HydrophobicContact CD1-CD2 4.44Å; I69-L112 HydrophobicContact CG2-CB 4.45Å; I69-L112 HydrophobicContact CG2-CD2 4.04Å; F74-L112 HydrophobicContact CD2-CB 4.4Å; F74-L112 HydrophobicContact CD2-CD2 4.3Å; F74-L112 HydrophobicContact CE2-CD2 4Å; A78-L112 HydrophobicContact CB-CD2 4.12Å; A78-L112 HydrophobicContact CB-CG 4.18Å; L82-L112 HydrophobicContact CD1-CD2 4.22Å; L109-L112 HydrophobicContact CD1-CD1 4.1Å; L109-L112 HydrophobicContact CD1-CD2 4.28Å; D110-L112 VanDerWaalsContact C-N 3.28Å; D110-L112 PolarHBondContact O-N 3.23Å; L112-V121 HydrophobicContact CD1-CG2 3.91Å; L112-V121 HydrophobicContact CD2-CG2 3.75Å; L112-V121 HydrophobicContact CG-CG2 4.44Å; L112-C124 HydrophobicContact CD1-CB 3.68Å
113	S	92.1	Very high	90.8	Very high	66 Å²	66	49 Å²	49	46%	0.462	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-107.1	110	-178.9	173	0	0	0	0	111.7	N111 A125	N111-S113 PolarHBondContact O-N 3.41Å; N111-S113 VanDerWaalsContact O-N 3.1Å; S113-A125 PolarHBondContact N-O 3.46Å; S113-A125 PolarHBondContact O-N 3.16Å
114	C	94.7	Very high	91.2	Very high	10 Å²	10	49.3 Å²	49.3	7%	0.068	29%	0.285	C	S	.	.			trans	-113.6	152.4	174.1	-54.5	0	0	0	0	111.2	Q77 A78 V81 C124	Q77-C114 WeakPolarHBondContact CB-O 3.46Å; A78-C114 VanDerWaalsContact CA-SG 3.58Å; A78-C114 HydrophobicContact CB-CB 4.17Å; V81-C114 HydrophobicContact CG2-CB 3.98Å; C114-C124 HydrophobicContact CB-CB 4.05Å; C114-C124 WeakPolarHBondContact CB-SG 3.44Å; C114-C124 WeakPolarHBondContact SG-CB 3.25Å; C114-C124 CovalentContact SG-SG 2.03Å; C114-C124 PolarHBondContact SG-SG 2.77Å
115	S	90.9	Very high	91.7	Very high	70 Å²	70	46.8 Å²	46.8	49%	0.49	28%	0.276	S	S	.	.			trans	-79.7	-18.2	167.8	68.9	0	0	0	0	113.2	T117 E118	S115-T117 PolarHBondContact OG-OG1 3.1Å; S115-T117 VanDerWaalsContact OG-OG1 3.12Å; S115-E118 WeakPolarHBondContact CA-OE1 3.08Å; S115-E118 VanDerWaalsContact CB-OE1 3.25Å; S115-E118 WeakPolarHBondContact CB-OE1 3.44Å; S115-E118 PolarHBondContact N-OE1 2.72Å; S115-E118 PolarHBondContact N-OE2 3.23Å; S115-E118 PolarHBondContact OG-OE1 2.61Å; S115-E118 PolarHBondContact OG-OE2 3.01Å; S115-E118 VanDerWaalsContact OG-OE2 3.12Å
116	G	87.9	Confident	92	Very high	11 Å²	11	45.8 Å²	45.8	11%	0.113	26%	0.259	C	S	.	.	S	Bend	trans	95	-3.6	179.7	0	0	0	0	0	113.7	R84 E118	R84-G116 VanDerWaalsContact CZ-O 3.31Å; R84-G116 PolarHBondContact NH1-O 3.03Å; R84-G116 PolarHBondContact NH2-O 2.67Å; G116-E118 WeakPolarHBondContact CA-OE2 2.99Å; G116-E118 PolarHBondContact N-OE2 2.03Å
117	T	88.8	Confident	92	Very high	108 Å²	108	44.8 Å²	44.8	66%	0.663	26%	0.255	S	S	*	.			trans	-108.3	-7.3	-179	62.6	0	0	0	0	113.8	S115	S115-T117 PolarHBondContact OG-OG1 3.1Å; S115-T117 VanDerWaalsContact OG-OG1 3.12Å
118	E	93.1	Very high	91.8	Very high	27 Å²	27	45.4 Å²	45.4	13%	0.126	27%	0.265	C	S	.	.			trans	-57.4	142.6	177.7	-64.3	80	-175.2	0	0	111.4	V81 R84 S115 G116 S120 E123	V81-E118 HydrophobicContact CG1-CB 4.31Å; V81-E118 HydrophobicContact CG2-CB 4.01Å; V81-E118 WeakPolarHBondContact CG2-OE2 3.15Å; R84-E118 PolarHBondContact NH2-O 2.97Å; S115-E118 WeakPolarHBondContact CA-OE1 3.08Å; S115-E118 VanDerWaalsContact CB-OE1 3.25Å; S115-E118 WeakPolarHBondContact CB-OE1 3.44Å; S115-E118 PolarHBondContact N-OE1 2.72Å; S115-E118 PolarHBondContact N-OE2 3.23Å; S115-E118 PolarHBondContact OG-OE1 2.61Å; S115-E118 PolarHBondContact OG-OE2 3.01Å; S115-E118 VanDerWaalsContact OG-OE2 3.12Å; G116-E118 WeakPolarHBondContact CA-OE2 2.99Å; G116-E118 PolarHBondContact N-OE2 2.03Å; E118-S120 VanDerWaalsContact C-N 3.34Å; E118-E123 HydrophobicContact CB-CB 4.08Å; E118-E123 HydrophobicContact CG-CB 3.92Å
119	Q	84.9	Confident	91.6	Very high	150 Å²	150	47.8 Å²	47.8	70%	0.701	27%	0.274	S	S	*	.	S	Bend	trans	-80.4	-23	176.9	-67.3	-63.8	-40.5	0	0	111.8	E123	Q119-E123 PolarHBondContact N-OE2 2.89Å
120	S	87.9	Confident	91.3	Very high	4 Å²	4	49 Å²	49	3%	0.028	29%	0.286	C	S	.	.	S	Bend	trans	-143.6	150.8	177.7	-175	0	0	0	0	112.6	E85 E118 T122 E123	E85-S120 WeakPolarHBondContact OE1-CA 3.44Å; E85-S120 WeakPolarHBondContact OE1-CB 3.41Å; E85-S120 PolarHBondContact OE1-OG 2.97Å; E118-S120 VanDerWaalsContact C-N 3.34Å; S120-T122 WeakPolarHBondContact CB-OG1 3.25Å; S120-T122 PolarHBondContact O-N 2.92Å; S120-T122 VanDerWaalsContact O-N 3.1Å; S120-T122 PolarHBondContact OG-N 3.36Å; S120-T122 PolarHBondContact OG-OG1 3Å; S120-T122 VanDerWaalsContact OG-OG1 3.1Å; S120-E123 WeakPolarHBondContact O-CB 3.11Å; S120-E123 PolarHBondContact O-N 3.2Å
121	V	91.9	Very high	91.2	Very high	1 Å²	1	53 Å²	53	1%	0.006	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-59.3	-21.7	173.5	77.3	0	0	0	0	112.5	F44 I60 V81 L82 L109 L112 E123 C124 W129	F44-V121 HydrophobicContact CE1-CG1 3.85Å; F44-V121 HydrophobicContact CZ-CG1 3.77Å; I60-V121 HydrophobicContact CD1-CG1 4.41Å; V81-V121 HydrophobicContact CG1-CB 4.5Å; L82-V121 HydrophobicContact CD2-CB 4.1Å; L82-V121 HydrophobicContact CD2-CG2 3.9Å; L82-V121 HydrophobicContact CG-CG2 4.45Å; L109-V121 HydrophobicContact CD1-CG1 4.26Å; L109-V121 HydrophobicContact CD1-CG2 3.66Å; L112-V121 HydrophobicContact CD1-CG2 3.91Å; L112-V121 HydrophobicContact CD2-CG2 3.75Å; L112-V121 HydrophobicContact CG-CG2 4.44Å; V121-E123 PolarHBondContact O-N 3.37Å; V121-C124 WeakPolarHBondContact O-CB 3.39Å; V121-C124 PolarHBondContact O-N 2.68Å; V121-W129 HydrophobicContact CG1-CH2 4.22Å
122	T	89.7	Confident	91	Very high	72 Å²	72	52.5 Å²	52.5	44%	0.442	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-67.2	-19.7	176	54.2	0	0	0	0	113.8	L42 S120 W129	L42-T122 HydrophobicContact CD1-CG2 3.44Å; L42-T122 VanDerWaalsContact CD1-CG2 3.44Å; S120-T122 WeakPolarHBondContact CB-OG1 3.25Å; S120-T122 PolarHBondContact O-N 2.92Å; S120-T122 VanDerWaalsContact O-N 3.1Å; S120-T122 PolarHBondContact OG-N 3.36Å; S120-T122 PolarHBondContact OG-OG1 3Å; S120-T122 VanDerWaalsContact OG-OG1 3.1Å; T122-W129 HydrophobicContact CG2-CZ2 3.74Å
123	E	91.8	Very high	90.9	Very high	119 Å²	119	57.3 Å²	57.3	56%	0.556	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-87	-13.2	177.6	-61.7	171	-176.3	0	0	112	E118 Q119 S120 V121	E118-E123 HydrophobicContact CB-CB 4.08Å; E118-E123 HydrophobicContact CG-CB 3.92Å; Q119-E123 PolarHBondContact N-OE2 2.89Å; S120-E123 WeakPolarHBondContact O-CB 3.11Å; S120-E123 PolarHBondContact O-N 3.2Å; V121-E123 PolarHBondContact O-N 3.37Å
124	C	92.9	Very high	91	Very high	11 Å²	11	55 Å²	55	7%	0.074	32%	0.317	C	S	.	.	S	Bend	trans	-76.4	146.6	177.5	-58.7	0	0	0	0	111.6	L112 C114 V121	L112-C124 HydrophobicContact CD1-CB 3.68Å; C114-C124 HydrophobicContact CB-CB 4.05Å; C114-C124 WeakPolarHBondContact CB-SG 3.44Å; C114-C124 WeakPolarHBondContact SG-CB 3.25Å; C114-C124 CovalentContact SG-SG 2.03Å; C114-C124 PolarHBondContact SG-SG 2.77Å; V121-C124 WeakPolarHBondContact O-CB 3.39Å; V121-C124 PolarHBondContact O-N 2.68Å
125	A	93.6	Very high	90.8	Very high	65 Å²	65	58.2 Å²	58.2	54%	0.537	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-67.9	136.6	171.2	0	0	0	0	0	109.5	S113	S113-A125 PolarHBondContact N-O 3.46Å; S113-A125 PolarHBondContact O-N 3.16Å
126	S	93.3	Very high	90.9	Very high	43 Å²	43	56.8 Å²	56.8	30%	0.301	32%	0.322	S	S	.	.			trans	-153.1	170.6	175.7	60.4	0	0	0	0	109.8	D110 G128	D110-S126 WeakPolarHBondContact O-CA 3.4Å; D110-S126 WeakPolarHBondContact O-CB 3.47Å; S126-G128 PolarHBondContact O-N 2.83Å
127	R	90.8	Very high	91.1	Very high	103 Å²	103	61.6 Å²	61.6	39%	0.389	35%	0.345	S	S	.	.	S	Bend	trans	-68.4	2	175.2	-159.1	172.6	169.8	155.3	-10.8	114.4	D110 N131 D133	D110-R127 HydrophobicContact CB-CB 4.17Å; D110-R127 PolarHBondContact O-N 3.19Å; R127-N131 PolarHBondContact O-ND2 3.23Å; R127-D133 IonicContact CZ-OD1 3.53Å; R127-D133 IonicContact CZ-OD2 2.73Å; R127-D133 VanDerWaalsContact CZ-OD2 3.23Å; R127-D133 IonicContact NH1-OD1 3.35Å; R127-D133 PolarHBondContact NH1-OD1 3.43Å; R127-D133 IonicContact NH1-OD2 3.82Å; R127-D133 PolarHBondContact NH1-OD2 3.14Å; R127-D133 VanDerWaalsContact NH2-CG 3.34Å; R127-D133 IonicContact NH2-OD1 2.65Å; R127-D133 IonicContact NH2-OD2 3.98Å; R127-D133 PolarHBondContact NH2-OD2 3.19Å
128	G	89.4	Confident	91.3	Very high	28 Å²	28	59.4 Å²	59.4	29%	0.289	33%	0.327	S	S	.	.			trans	94.7	151.7	-176.4	0	0	0	0	0	112.2	S126 G130 N131	S126-G128 PolarHBondContact O-N 2.83Å; G128-G130 PolarHBondContact O-N 3.05Å; G128-N131 PolarHBondContact O-N 3.48Å
129	W	91.9	Very high	91.4	Very high	68 Å²	68	58.1 Å²	58.1	26%	0.258	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	126.4	-171.5	-71	89.3	0	0	0	113.7	L42 I60 W108 L109 V121 T122 N131	L42-W129 HydrophobicContact CD1-CH2 3.77Å; L42-W129 HydrophobicContact CD1-CZ2 4.05Å; L42-W129 HydrophobicContact CD2-CH2 4.38Å; I60-W129 HydrophobicContact CD1-CH2 4.17Å; I60-W129 HydrophobicContact CD1-CZ3 4.1Å; I60-W129 HydrophobicContact CG2-CH2 4.37Å; I60-W129 HydrophobicContact CG2-CZ3 4.16Å; W108-W129 HydrophobicContact CB-CE3 3.95Å; W108-W129 HydrophobicContact CB-CZ3 4.01Å; W108-W129 HydrophobicContact CE3-CE3 4.34Å; W108-W129 HydrophobicContact CG-CE3 4.37Å; W108-W129 HydrophobicContact CG-CZ3 4.45Å; W108-W129 CarbonylContact O-C 3.49Å; W108-W129 VanDerWaalsContact O-CA 3.27Å; W108-W129 WeakPolarHBondContact O-CA 3.47Å; L109-W129 HydrophobicContact CD1-CH2 3.87Å; L109-W129 HydrophobicContact CD1-CZ2 4.38Å; L109-W129 HydrophobicContact CD1-CZ3 4.09Å; L109-W129 HydrophobicContact CD2-CD2 3.83Å; L109-W129 HydrophobicContact CD2-CE3 3.86Å; L109-W129 HydrophobicContact CD2-CG 4.43Å; L109-W129 HydrophobicContact CD2-CH2 4.05Å; L109-W129 HydrophobicContact CD2-CZ2 4Å; L109-W129 HydrophobicContact CD2-CZ3 3.98Å; L109-W129 HydrophobicContact CG-CE3 4.11Å; L109-W129 HydrophobicContact CG-CH2 4.09Å; L109-W129 HydrophobicContact CG-CZ3 3.86Å; V121-W129 HydrophobicContact CG1-CH2 4.22Å; T122-W129 HydrophobicContact CG2-CZ2 3.74Å; W129-N131 PolarHBondContact O-N 3.23Å
130	G	89.2	Confident	92	Very high	25 Å²	25	51 Å²	51	26%	0.258	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	14.8	178.3	0	0	0	0	0	113.8	I107 W108 G128	I107-G130 WeakPolarHBondContact O-CA 3.35Å; W108-G130 PolarHBondContact O-N 2.72Å; G128-G130 PolarHBondContact O-N 3.05Å
131	N	92	Very high	92.3	Very high	86 Å²	86	50.9 Å²	50.9	46%	0.46	29%	0.287	S	S	.	.			trans	-113.3	95.2	176.7	-177.7	32.3	0	0	0	108.4	R127 G128 W129	R127-N131 PolarHBondContact O-ND2 3.23Å; G128-N131 PolarHBondContact O-N 3.48Å; W129-N131 PolarHBondContact O-N 3.23Å
132	S	90.8	Very high	92.5	Very high	35 Å²	35	50.8 Å²	50.8	25%	0.245	29%	0.287	C	S	.	.			trans	-140.2	144.7	180	-178.1	0	0	0	0	109.9	D110 C134	D110-S132 WeakPolarHBondContact OD2-CA 3.17Å; D110-S132 VanDerWaalsContact OD2-CB 3.26Å; D110-S132 WeakPolarHBondContact OD2-CB 3.47Å; D110-S132 PolarHBondContact OD2-OG 2.98Å; S132-C134 WeakPolarHBondContact OG-CB 3.48Å; S132-C134 PolarHBondContact OG-N 3.26Å; S132-C134 VanDerWaalsContact OG-N 3.11Å
133	D	91.2	Very high	92.7	Very high	102 Å²	102	49 Å²	49	55%	0.545	27%	0.274	S	S	.	.			trans	-100.3	2.9	167.9	48.8	-3.9	0	0	0	113.3	D110 R127	D110-D133 PolarHBondContact OD2-N 3.35Å; R127-D133 IonicContact CZ-OD1 3.53Å; R127-D133 IonicContact CZ-OD2 2.73Å; R127-D133 VanDerWaalsContact CZ-OD2 3.23Å; R127-D133 IonicContact NH1-OD1 3.35Å; R127-D133 PolarHBondContact NH1-OD1 3.43Å; R127-D133 IonicContact NH1-OD2 3.82Å; R127-D133 PolarHBondContact NH1-OD2 3.14Å; R127-D133 VanDerWaalsContact NH2-CG 3.34Å; R127-D133 IonicContact NH2-OD1 2.65Å; R127-D133 IonicContact NH2-OD2 3.98Å; R127-D133 PolarHBondContact NH2-OD2 3.19Å
134	C	93.9	Very high	92.8	Very high	17 Å²	17	43.3 Å²	43.3	12%	0.115	25%	0.248	C	C	.	.			trans	-74.2	163.1	176.3	-54.3	0	0	0	0	113.4	C70 I107 S132 E138	C70-C134 HydrophobicContact CB-CB 3.69Å; C70-C134 WeakPolarHBondContact CB-SG 3.04Å; C70-C134 WeakPolarHBondContact SG-CB 3.24Å; C70-C134 CovalentContact SG-SG 2.02Å; C70-C134 PolarHBondContact SG-SG 2.97Å; I107-C134 HydrophobicContact CD1-CB 3.85Å; I107-C134 WeakPolarHBondContact CD1-O 3.03Å; S132-C134 WeakPolarHBondContact OG-CB 3.48Å; S132-C134 PolarHBondContact OG-N 3.26Å; S132-C134 VanDerWaalsContact OG-N 3.11Å; C134-E138 VanDerWaalsContact CA-OE2 3.31Å; C134-E138 WeakPolarHBondContact CA-OE2 3.41Å; C134-E138 HydrophobicContact CB-CB 4.1Å
135	T	92	Very high	92.4	Very high	77 Å²	77	46.7 Å²	46.7	47%	0.472	26%	0.261	S	S	.	.			trans	-107.6	169.3	168.4	65.5	0	0	0	0	111	D137 E138	T135-D137 PolarHBondContact O-N 3.45Å; T135-D137 VanDerWaalsContact O-N 3.15Å; T135-E138 PolarHBondContact N-OE2 2.99Å; T135-E138 WeakPolarHBondContact O-CB 3.12Å; T135-E138 PolarHBondContact O-N 3.2Å; T135-E138 PolarHBondContact OG1-OE2 2.74Å
136	H	92.9	Very high	91.9	Very high	41 Å²	41	49.1 Å²	49.1	19%	0.19	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-69.3	-8	177.8	-77.3	-56	0	0	0	114.3	T68 A98 P102 G103 T104 G105 E138 D139	T68-H136 PolarHBondContact OG1-CE1 3.32Å; T68-H136 PolarHBondContact OG1-ND1 2.8Å; A98-H136 VanDerWaalsContact CB-O 3.24Å; A98-H136 WeakPolarHBondContact CB-O 3.19Å; P102-H136 WeakPolarHBondContact CA-O 3.12Å; P102-H136 HydrophobicContact CB-CB 3.82Å; P102-H136 WeakPolarHBondContact CB-O 3.41Å; G103-H136 PolarHBondContact O-CD2 3.19Å; G103-H136 VanDerWaalsContact O-CG 3.27Å; T104-H136 VanDerWaalsContact C-NE2 3.29Å; T104-H136 WeakPolarHBondContact CA-NE2 2.99Å; G105-H136 PolarHBondContact N-NE2 2.82Å; G105-H136 VanDerWaalsContact N-NE2 3.11Å; G105-H136 PolarHBondContact O-NE2 3.06Å; G105-H136 VanDerWaalsContact O-NE2 3.13Å; H136-E138 PolarHBondContact O-N 2.75Å; H136-D139 IonicContact CE1-OD2 3.23Å; H136-D139 IonicContact CG-OD2 2.83Å; H136-D139 IonicContact ND1-OD1 3.6Å; H136-D139 PolarHBondContact ND1-OD1 3.32Å; H136-D139 IonicContact ND1-OD2 2.81Å; H136-D139 PolarHBondContact ND1-OD2 3.32Å
137	D	90.3	Very high	91.3	Very high	112 Å²	112	52 Å²	52	60%	0.599	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-71.5	-11.1	169.3	-67.6	-32.8	0	0	0	111.8	S97 A98 T135	S97-D137 CarbonylContact C-O 3.38Å; S97-D137 WeakPolarHBondContact CA-O 3.31Å; A98-D137 PolarHBondContact N-O 3.18Å; T135-D137 PolarHBondContact O-N 3.45Å; T135-D137 VanDerWaalsContact O-N 3.15Å
138	E	94.4	Very high	90.7	Very high	61 Å²	61	51.1 Å²	51.1	29%	0.285	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-109.8	16.9	-178.6	-69.7	162.1	137.7	0	0	111.6	C70 D71 C134 T135 H136 A140	C70-E138 CarbonylContact C-O 3.06Å; C70-E138 WeakPolarHBondContact CA-O 3.1Å; D71-E138 WeakPolarHBondContact CB-O 3.33Å; D71-E138 PolarHBondContact N-O 2.7Å; D71-E138 VanDerWaalsContact OD1-CB 3.3Å; D71-E138 WeakPolarHBondContact OD1-CB 3.47Å; D71-E138 VanDerWaalsContact OD1-O 3.11Å; C134-E138 VanDerWaalsContact CA-OE2 3.31Å; C134-E138 WeakPolarHBondContact CA-OE2 3.41Å; C134-E138 HydrophobicContact CB-CB 4.1Å; T135-E138 PolarHBondContact N-OE2 2.99Å; T135-E138 WeakPolarHBondContact O-CB 3.12Å; T135-E138 PolarHBondContact O-N 3.2Å; T135-E138 PolarHBondContact OG1-OE2 2.74Å; H136-E138 PolarHBondContact O-N 2.75Å; E138-A140 PolarHBondContact O-N 2.04Å
139	D	95.1	Very high	90.1	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-69.5	126.7	179.6	-75.4	-27.4	0	0	0	112	R57 T68 I69 A98 G103 H136	R57-D139 HydrophobicContact CG-CB 4.11Å; T68-D139 WeakPolarHBondContact CB-OD1 2.97Å; T68-D139 WeakPolarHBondContact CG2-OD2 3.48Å; T68-D139 PolarHBondContact OG1-OD1 3.39Å; I69-D139 CarbonylContact O-C 3.51Å; I69-D139 WeakPolarHBondContact O-CA 3.34Å; A98-D139 WeakPolarHBondContact CA-O 3.24Å; A98-D139 HydrophobicContact CB-CB 4.35Å; A98-D139 PolarHBondContact N-O 2.67Å; A98-D139 VanDerWaalsContact N-O 3.16Å; G103-D139 VanDerWaalsContact CA-OD2 3.23Å; G103-D139 WeakPolarHBondContact CA-OD2 3.45Å; G103-D139 PolarHBondContact N-OD2 2.83Å; H136-D139 IonicContact CE1-OD2 3.23Å; H136-D139 IonicContact CG-OD2 2.83Å; H136-D139 IonicContact ND1-OD1 3.6Å; H136-D139 PolarHBondContact ND1-OD1 3.32Å; H136-D139 IonicContact ND1-OD2 2.81Å; H136-D139 PolarHBondContact ND1-OD2 3.32Å
140	A	96.2	Very high	88.5	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.299	C	S	.	.			trans	-76.4	144.1	177.8	0	0	0	0	0	112.9	V58 I69 D71 F74 T95 E138	V58-A140 PolarHBondContact N-O 2.04Å; I69-A140 WeakPolarHBondContact O-CB 3.23Å; I69-A140 PolarHBondContact O-N 3.31Å; D71-A140 HydrophobicContact CB-CB 4.15Å; F74-A140 HydrophobicContact CD1-CB 4.47Å; F74-A140 HydrophobicContact CD2-CB 3.61Å; F74-A140 HydrophobicContact CE2-CB 3.71Å; F74-A140 HydrophobicContact CG-CB 4Å; F74-A140 HydrophobicContact CZ-CB 4.19Å; T95-A140 WeakPolarHBondContact O-CA 3.25Å; E138-A140 PolarHBondContact O-N 2.04Å
141	G	95.4	Very high	86.6	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.01	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	160.4	169.8	0	0	0	0	0	112.2	G56 W94 T95	G56-G141 CarbonylContact O-C 3.55Å; G56-G141 WeakPolarHBondContact O-CA 3.38Å; W94-G141 CarbonylContact C-O 3.41Å; W94-G141 VanDerWaalsContact CA-O 3.28Å; W94-G141 WeakPolarHBondContact CA-O 3.16Å; W94-G141 WeakPolarHBondContact CB-O 3.27Å; T95-G141 PolarHBondContact N-O 3.36Å; T95-G141 PolarHBondContact O-N 2.77Å; T95-G141 VanDerWaalsContact OG1-CA 3.24Å; T95-G141 WeakPolarHBondContact OG1-CA 3.25Å; T95-G141 PolarHBondContact OG1-N 2.83Å
142	V	96.6	Very high	84.6	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	150.8	177.1	-61.8	0	0	0	0	110.6	L46 E55 G56 V58 F74 A79 L82 L86	L46-V142 HydrophobicContact CD2-CG2 3.57Å; E55-V142 WeakPolarHBondContact CA-O 3.35Å; E55-V142 WeakPolarHBondContact CB-O 3.39Å; G56-V142 PolarHBondContact N-O 3.19Å; G56-V142 PolarHBondContact O-N 2.69Å; V58-V142 HydrophobicContact CG2-CB 4.07Å; V58-V142 HydrophobicContact CG2-CG1 3.6Å; V58-V142 HydrophobicContact CG2-CG2 3.49Å; V58-V142 VanDerWaalsContact CG2-CG2 3.49Å; F74-V142 HydrophobicContact CE1-CG1 4.28Å; F74-V142 HydrophobicContact CZ-CG1 3.95Å; A79-V142 HydrophobicContact CB-CB 4.45Å; A79-V142 HydrophobicContact CB-CG1 3.88Å; L82-V142 HydrophobicContact CB-CG1 4.26Å; L82-V142 HydrophobicContact CD1-CG1 4.24Å; L86-V142 HydrophobicContact CD1-CG2 3.99Å
143	I	93.8	Very high	82.4	Confident	33 Å²	33	59.9 Å²	59.9	17%	0.169	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	107.3	171.3	-50	176.3	0	0	0	106	E55 A91 T92 G93 T95	E55-I143 HydrophobicContact CB-CB 4.31Å; E55-I143 HydrophobicContact CB-CG1 4.25Å; E55-I143 HydrophobicContact CB-CG2 4.13Å; A91-I143 CarbonylContact C-O 3.35Å; A91-I143 WeakPolarHBondContact CA-O 3.34Å; T92-I143 PolarHBondContact N-O 3.28Å; T92-I143 WeakPolarHBondContact OG1-CG2 3.24Å; T92-I143 PolarHBondContact OG1-O 3.33Å; G93-I143 PolarHBondContact N-O 2.69Å; G93-I143 VanDerWaalsContact N-O 3.11Å; G93-I143 PolarHBondContact O-N 3.09Å; G93-I143 VanDerWaalsContact O-O 3.14Å; T95-I143 HydrophobicContact CG2-CD1 3.8Å; T95-I143 HydrophobicContact CG2-CG1 3.93Å
144	C	92.2	Very high	80.1	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.007	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	158.2	179.1	-50.9	0	0	0	0	111	Y54 C83 F88 E90	Y54-C144 WeakPolarHBondContact CD2-O 3.34Å; Y54-C144 WeakPolarHBondContact O-CA 3.28Å; Y54-C144 VanDerWaalsContact O-CB 3.22Å; Y54-C144 WeakPolarHBondContact O-CB 3.37Å; Y54-C144 PolarHBondContact O-N 3.17Å; C83-C144 VanDerWaalsContact CA-SG 3.53Å; C83-C144 HydrophobicContact CB-CB 3.86Å; C83-C144 WeakPolarHBondContact CB-SG 3.36Å; C83-C144 WeakPolarHBondContact SG-CA 3.14Å; C83-C144 WeakPolarHBondContact SG-CB 3.28Å; C83-C144 CovalentContact SG-SG 2.04Å; C83-C144 PolarHBondContact SG-SG 2.67Å; F88-C144 HydrophobicContact CB-CB 3.69Å; F88-C144 HydrophobicContact CD1-CB 4.07Å; F88-C144 HydrophobicContact CD2-CB 3.69Å; F88-C144 HydrophobicContact CE2-CB 4.33Å; F88-C144 HydrophobicContact CG-CB 3.53Å; E90-C144 WeakPolarHBondContact O-CA 3.34Å
145	K	85.6	Confident	77.3	Confident	81 Å²	81	64.2 Å²	64.2	35%	0.352	36%	0.364	S	S	.	.			trans	-67.5	141.4	167.6	-165.7	171.4	-173.1	178.9	0	109.4	F88 E90 T92 Q147	F88-K145 VanDerWaalsContact CD1-O 3.28Å; F88-K145 WeakPolarHBondContact CD1-O 3.32Å; E90-K145 HydrophobicContact CG-CB 3.88Å; E90-K145 HydrophobicContact CG-CD 3.72Å; E90-K145 PolarHBondContact O-N 3.5Å; E90-K145 WeakPolarHBondContact OE1-CD 3.42Å; E90-K145 WeakPolarHBondContact OE1-CE 3.39Å; E90-K145 IonicContact OE1-NZ 3.77Å; E90-K145 PolarHBondContact OE1-NZ 2.91Å; T92-K145 HydrophobicContact CG2-CB 4.01Å; T92-K145 HydrophobicContact CG2-CG 4.4Å; K145-Q147 HydrophobicContact CG-CB 4.33Å; K145-Q147 PolarHBondContact O-N 2.7Å
146	D	82.9	Confident	74.4	Confident	117 Å²	117	65.5 Å²	65.5	63%	0.626	37%	0.368	S	S	*	.	S	Bend	trans	-75.2	50.8	177	-161.6	12	0	0	0	112	Y54	Y54-D146 HydrophobicContact CD1-CB 3.6Å; Y54-D146 WeakPolarHBondContact CD1-OD1 3.27Å; Y54-D146 HydrophobicContact CE1-CB 3.55Å; Y54-D146 VanDerWaalsContact CE1-OD2 3.29Å; Y54-D146 WeakPolarHBondContact CE1-OD2 3.06Å; Y54-D146 HydrophobicContact CG-CB 4.18Å
147	Q	80.6	Confident	71.7	Confident	104 Å²	104	68 Å²	68	49%	0.486	39%	0.387	S	S	.	.			trans	-141.9	124.5	178.6	-171.5	-179.2	14.5	0	0	108.7	F88 T89 K145	F88-Q147 WeakPolarHBondContact CA-O 3.5Å; T89-Q147 HydrophobicContact CG2-CB 4.13Å; T89-Q147 HydrophobicContact CG2-CG 3.78Å; T89-Q147 PolarHBondContact N-O 3.16Å; T89-Q147 PolarHBondContact OG1-O 3.27Å; K145-Q147 HydrophobicContact CG-CB 4.33Å; K145-Q147 PolarHBondContact O-N 2.7Å
148	R	79.1	Confident	68.9	Low	83 Å²	83	65.5 Å²	65.5	31%	0.313	37%	0.372	S	S	.	.	B	Isolated β-bridge	trans	-89	152.9	-179.2	-67.3	-68.6	-164.1	173.3	4	112	L86 G87 F88 D154	L86-R148 PolarHBondContact O-NH1 3.28Å; G87-R148 WeakPolarHBondContact O-CA 3.35Å; G87-R148 VanDerWaalsContact O-CD 3.24Å; G87-R148 WeakPolarHBondContact O-CD 3.4Å; F88-R148 VanDerWaalsContact CE1-CZ 3.48Å; R148-D154 IonicContact NH2-OD1 3.19Å
149	L	76.3	Confident	65.8	Low	54 Å²	54	68.6 Å²	68.6	28%	0.283	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-71.1	138	170.7	-71.6	167.8	0	0	0	110.9	G87 F88 T89 G151 F152	G87-L149 PolarHBondContact O-N 3.01Å; G87-L149 VanDerWaalsContact O-N 3.08Å; F88-L149 WeakPolarHBondContact O-CD1 3.45Å; T89-L149 HydrophobicContact CG2-CD2 4.14Å; L149-G151 PolarHBondContact O-N 2.93Å; L149-F152 HydrophobicContact CB-CD2 3.96Å; L149-F152 HydrophobicContact CB-CE2 4.49Å; L149-F152 HydrophobicContact CD1-CE2 4.39Å; L149-F152 PolarHBondContact O-N 3.4Å; L149-F152 VanDerWaalsContact O-N 3.12Å
150	P	57.7	Low	62.7	Low	133 Å²	133	72.3 Å²	72.3	86%	0.864	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	125.4	177.5	-22.5	32.2	0	0	0	111.8
151	G	50.2	Low	59.6	Low	82 Å²	82	80.6 Å²	80.6	85%	0.845	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.8	-6.7	-177.7	0	0	0	0	0	115.1	L149 S153	L149-G151 PolarHBondContact O-N 2.93Å; G151-S153 PolarHBondContact O-N 3.03Å
152	F	49.2	Very low	56.7	Low	75 Å²	75	87.3 Å²	87.3	33%	0.329	48%	0.479	S	S	.	.			trans	-81.1	100.7	162.2	-89.1	-104.3	0	0	0	109.2	L149	L149-F152 HydrophobicContact CB-CD2 3.96Å; L149-F152 HydrophobicContact CB-CE2 4.49Å; L149-F152 HydrophobicContact CD1-CE2 4.39Å; L149-F152 PolarHBondContact O-N 3.4Å; L149-F152 VanDerWaalsContact O-N 3.12Å
153	S	44.8	Very low	54	Low	83 Å²	83	93.4 Å²	93.4	58%	0.58	51%	0.507	S	S	*	.			trans	-73.1	156.7	160.5	57.8	0	0	0	0	109.5	G151 S155	G151-S153 PolarHBondContact O-N 3.03Å; S153-S155 PolarHBondContact O-N 3.24Å; S153-S155 PolarHBondContact OG-OG 3.03Å
154	D	42.2	Very low	52	Low	137 Å²	137	94.5 Å²	94.5	73%	0.733	51%	0.513	S	S	*	.	S	Bend	trans	-64	60.1	176.5	-81.4	-39.9	0	0	0	112	R148	R148-D154 IonicContact NH2-OD1 3.19Å
155	S	36	Very low	50.4	Low	72 Å²	72	100.3 Å²	100.3	50%	0.503	54%	0.54	S	S	.	.			trans	-131.6	1.1	-168	-45.8	0	0	0	0	112.5	S153	S153-S155 PolarHBondContact O-N 3.24Å; S153-S155 PolarHBondContact OG-OG 3.03Å
156	N	31.5	Very low	49.3	Very low	104 Å²	104	96.7 Å²	96.7	56%	0.556	53%	0.525	S	S	*	.	S	Bend	trans	-112	8.7	172.7	-72.4	-22.2	0	0	0	113.6	I158	N156-I158 PolarHBondContact O-N 3.21Å
157	V	35.3	Very low	48.3	Very low	95 Å²	95	96.9 Å²	96.9	58%	0.576	52%	0.522	S	S	*	.	S	Bend	trans	-82.3	80.5	149.2	-175.3	0	0	0	0	105.5	E159	V157-E159 VanDerWaalsContact C-N 3.26Å; V157-E159 PolarHBondContact O-N 2.92Å
158	I	31	Very low	48.1	Very low	58 Å²	58	96.1 Å²	96.1	30%	0.297	52%	0.519	S	S	.	.			trans	-67.7	101.8	165.7	-66.4	-179.1	0	0	0	105.8	N156 V160	N156-I158 PolarHBondContact O-N 3.21Å; I158-V160 PolarHBondContact O-N 3.15Å
159	E	29.6	Very low	48.5	Very low	127 Å²	127	93 Å²	93	59%	0.593	51%	0.509	S	S	*	.			trans	35.9	87	132.8	-65.5	178	152.1	0	0	111.9	V157 E161 H163	V157-E159 VanDerWaalsContact C-N 3.26Å; V157-E159 PolarHBondContact O-N 2.92Å; E159-E161 VanDerWaalsContact C-N 3.28Å; E159-E161 PolarHBondContact O-N 3.12Å; E159-H163 IonicContact OE1-CE1 3.68Å; E159-H163 PolarHBondContact OE1-CE1 3.35Å
160	V	31.2	Very low	49	Very low	79 Å²	79	95.1 Å²	95.1	48%	0.479	51%	0.513	S	S	.	.			trans	-50.3	112.4	139.6	-177.4	0	0	0	0	104.3	I158 H162	I158-V160 PolarHBondContact O-N 3.15Å; V160-H162 PolarHBondContact O-N 2.8Å
161	E	30.2	Very low	50.5	Low	173 Å²	173	89.7 Å²	89.7	81%	0.808	48%	0.476	S	S	*	.	S	Bend	trans	-63.8	78.1	172.4	-160.9	174.7	-154.7	0	0	107.5	E159	E159-E161 VanDerWaalsContact C-N 3.28Å; E159-E161 PolarHBondContact O-N 3.12Å
162	H	34.4	Very low	52.3	Low	142 Å²	142	90.9 Å²	90.9	66%	0.657	46%	0.456	S	S	*	.			trans	-169	90.4	156.5	-89.5	-69.7	0	0	0	104.4	V160 L164	V160-H162 PolarHBondContact O-N 2.8Å; H162-L164 PolarHBondContact O-N 2.8Å
163	H	40.2	Very low	53.8	Low	128 Å²	128	89.6 Å²	89.6	59%	0.593	45%	0.454	S	S	*	.	S	Bend	trans	-57	16.6	178.9	-70.9	-72.9	0	0	0	115.9	E159	E159-H163 IonicContact OE1-CE1 3.68Å; E159-H163 PolarHBondContact OE1-CE1 3.35Å
164	L	51.5	Low	54.8	Low	57 Å²	57	86 Å²	86	30%	0.298	43%	0.43	S	S	.	.			trans	-144	84.1	-171.2	-71.3	130.6	0	0	0	108.9	H162 L193 F262	H162-L164 PolarHBondContact O-N 2.8Å; L164-L193 HydrophobicContact CD2-CD1 4.26Å; L164-L193 HydrophobicContact CD2-CD2 4.48Å; L164-F262 HydrophobicContact CB-CB 4.44Å; L164-F262 HydrophobicContact CB-CD1 3.51Å; L164-F262 HydrophobicContact CB-CD2 3.68Å; L164-F262 HydrophobicContact CB-CE1 3.48Å; L164-F262 VanDerWaalsContact CB-CE1 3.48Å; L164-F262 HydrophobicContact CB-CE2 3.67Å; L164-F262 HydrophobicContact CB-CG 3.6Å; L164-F262 HydrophobicContact CB-CZ 3.57Å; L164-F262 HydrophobicContact CD1-CB 3.7Å; L164-F262 HydrophobicContact CD1-CD1 4.26Å; L164-F262 HydrophobicContact CD1-CD2 4.23Å; L164-F262 HydrophobicContact CD1-CG 3.81Å; L164-F262 HydrophobicContact CD2-CB 4.04Å; L164-F262 HydrophobicContact CD2-CD1 3.38Å; L164-F262 HydrophobicContact CD2-CE1 3.97Å; L164-F262 HydrophobicContact CD2-CG 3.81Å; L164-F262 HydrophobicContact CG-CB 4.24Å; L164-F262 HydrophobicContact CG-CD1 3.86Å; L164-F262 HydrophobicContact CG-CD2 4.39Å; L164-F262 HydrophobicContact CG-CE1 4.28Å; L164-F262 HydrophobicContact CG-CG 3.9Å; L164-F262 VanDerWaalsContact O-CE2 3.25Å; L164-F262 WeakPolarHBondContact O-CE2 3.26Å; L164-F262 WeakPolarHBondContact O-CZ 3.34Å
165	Q	58.1	Low	56.1	Low	122 Å²	122	82.1 Å²	82.1	57%	0.57	41%	0.411	S	S	*	.			trans	-103.2	138.3	163.7	-71.5	-173.3	-5.3	0	0	108.8	E167	Q165-E167 PolarHBondContact O-N 2.94Å
166	V	63.9	Low	57.1	Low	6 Å²	6	82.1 Å²	82.1	4%	0.036	42%	0.423	C	S	.	.			trans	-79.1	108.3	172.5	174.2	0	0	0	0	107.3	V169 V191 L193 L243 H254 L260	V166-V169 HydrophobicContact CG1-CG2 3.84Å; V166-V191 HydrophobicContact CG1-CB 3.92Å; V166-V191 HydrophobicContact CG1-CG1 3.82Å; V166-V191 HydrophobicContact CG2-CB 4.34Å; V166-V191 HydrophobicContact CG2-CG1 4.33Å; V166-L193 HydrophobicContact CG2-CD2 4.36Å; V166-L243 HydrophobicContact CG2-CD1 3.92Å; V166-H254 PolarHBondContact O-CE1 3.18Å; V166-L260 HydrophobicContact CG2-CD1 3.96Å
167	E	61.6	Low	57.7	Low	120 Å²	120	87.5 Å²	87.5	56%	0.561	44%	0.435	S	S	*	.			trans	-82.5	-43.7	-178.5	-66.2	-179.2	166.5	0	0	112	Q165 R192	Q165-E167 PolarHBondContact O-N 2.94Å; E167-R192 HydrophobicContact CB-CB 4.49Å; E167-R192 PolarHBondContact N-O 3.03Å; E167-R192 IonicContact OE2-NE 3.18Å
168	E	75.9	Confident	58.6	Low	89 Å²	89	86.6 Å²	86.6	42%	0.416	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	152.5	-176.2	-64.9	179.5	157.3	0	0	110.5	V191 R192 W197	E168-V191 CarbonylContact O-C 3.58Å; E168-V191 WeakPolarHBondContact O-CA 3.42Å; E168-R192 HydrophobicContact CB-CB 3.84Å; E168-R192 PolarHBondContact O-N 3.24Å; E168-R192 IonicContact OE1-NH1 3.16Å; E168-R192 WeakPolarHBondContact OE2-CD 3Å; E168-R192 IonicContact OE2-CZ 3.85Å; E168-R192 IonicContact OE2-NE 2.69Å; E168-R192 IonicContact OE2-NH1 2.79Å; E168-R192 PolarHBondContact OE2-NH1 3.16Å; E168-W197 HydrophobicContact CB-CH2 3.7Å; E168-W197 HydrophobicContact CB-CZ2 4.34Å; E168-W197 HydrophobicContact CB-CZ3 4.43Å; E168-W197 WeakPolarHBondContact OE2-CZ2 3.45Å
169	V	86.7	Confident	59.8	Low	18 Å²	18	93.3 Å²	93.3	11%	0.109	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	139.8	174.8	-175.8	0	0	0	0	108.3	V166 V189 E190 V191 V213 M216 L217 L255	V166-V169 HydrophobicContact CG1-CG2 3.84Å; V169-V189 HydrophobicContact CG1-CG1 4Å; V169-E190 WeakPolarHBondContact CA-O 3.49Å; V169-V191 HydrophobicContact CG2-CG1 4.26Å; V169-V213 HydrophobicContact CG1-CG1 4.03Å; V169-M216 HydrophobicContact CB-CE 4Å; V169-M216 HydrophobicContact CG2-CE 3.3Å; V169-M216 HydrophobicContact CG2-SD 4.19Å; V169-L217 VanDerWaalsContact O-CD2 3.31Å; V169-L217 WeakPolarHBondContact O-CD2 3.48Å; V169-L255 HydrophobicContact CG2-CD1 3.78Å; V169-L255 HydrophobicContact CG2-CG 4.5Å
170	R	88.1	Confident	61.3	Low	98 Å²	98	92.1 Å²	92.1	37%	0.37	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	157.9	172.5	75.5	-176.1	-176.7	-167.1	-3.1	112	E190 W197	R170-E190 HydrophobicContact CG-CB 4.02Å; R170-E190 IonicContact CZ-OE2 2.86Å; R170-E190 PolarHBondContact N-O 3.06Å; R170-E190 IonicContact NE-OE2 3.24Å; R170-E190 PolarHBondContact NE-OE2 3.32Å; R170-E190 IonicContact NH2-OE2 2.75Å; R170-E190 PolarHBondContact NH2-OE2 3.23Å; R170-E190 PolarHBondContact O-N 3.46Å; R170-W197 HydrophobicContact CB-CH2 4.01Å; R170-W197 HydrophobicContact CB-CZ3 3.95Å; R170-W197 HydrophobicContact CG-CE3 3.86Å; R170-W197 HydrophobicContact CG-CH2 3.84Å; R170-W197 HydrophobicContact CG-CZ3 3.45Å; R170-W197 VanDerWaalsContact CG-CZ3 3.45Å; R170-W197 VanDerWaalsContact CZ-CD2 3.43Å
171	I	89.3	Confident	63	Low	18 Å²	18	92.7 Å²	92.7	9%	0.092	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	118.1	168.4	-64.3	167.3	0	0	0	108.6	V184 E186 G187 L188 L217 V279	I171-V184 HydrophobicContact CB-CG1 4.06Å; I171-V184 HydrophobicContact CG2-CG1 3.62Å; I171-E186 VanDerWaalsContact CG2-C 3.5Å; I171-G187 VanDerWaalsContact CG2-N 3.29Å; I171-L188 WeakPolarHBondContact CA-O 3.38Å; I171-L217 HydrophobicContact CD1-CD1 3.39Å; I171-L217 HydrophobicContact CG1-CD1 3.41Å; I171-L217 VanDerWaalsContact CG1-CD1 3.41Å; I171-V279 HydrophobicContact CD1-CG2 3.66Å; I171-V279 HydrophobicContact CG1-CG2 3.71Å
172	R	87.1	Confident	65.2	Low	108 Å²	108	87.3 Å²	87.3	41%	0.408	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	121.2	168	178.1	179.6	157.7	172.8	-6.8	109.6	A174 G187 L188 E190	R172-A174 PolarHBondContact O-N 3.27Å; R172-G187 CarbonylContact O-C 3.51Å; R172-G187 WeakPolarHBondContact O-CA 3.47Å; R172-L188 HydrophobicContact CB-CB 4.45Å; R172-L188 PolarHBondContact N-O 3.44Å; R172-L188 PolarHBondContact O-N 3.28Å; R172-E190 HydrophobicContact CB-CG 4.36Å; R172-E190 WeakPolarHBondContact CD-OE1 3.48Å; R172-E190 IonicContact NH1-OE1 3.14Å; R172-E190 PolarHBondContact NH1-OE1 2.82Å
173	P	81.2	Confident	67.6	Low	47 Å²	47	81 Å²	81	31%	0.305	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-59.5	132.4	175.3	-19.8	29.7	0	0	0	111.4	V184	P173-V184 HydrophobicContact CG-CG1 3.89Å; P173-V184 HydrophobicContact CG-CG2 4.17Å
174	A	66.6	Low	69.9	Low	8 Å²	8	77 Å²	77	7%	0.066	39%	0.394	C	S	.	.	S	Bend	trans	-82.5	-23	-175.4	0	0	0	0	0	115.1	R172 L188 Y230 L233	R172-A174 PolarHBondContact O-N 3.27Å; A174-L188 HydrophobicContact CB-CD1 4.22Å; A174-L188 HydrophobicContact CB-CG 4.24Å; A174-Y230 HydrophobicContact CB-CD1 3.74Å; A174-Y230 HydrophobicContact CB-CE1 3.27Å; A174-L233 HydrophobicContact CB-CD1 4.42Å; A174-L233 HydrophobicContact CB-CD2 4.45Å; A174-L233 VanDerWaalsContact O-CD2 3.23Å; A174-L233 WeakPolarHBondContact O-CD2 3.49Å
175	V	67.9	Low	71.7	Confident	55 Å²	55	76.6 Å²	76.6	33%	0.333	40%	0.395	S	S	.	.	S	Bend	trans	-103.8	133.5	177.2	-171.1	0	0	0	0	108	R180 F229 L233	V175-R180 VanDerWaalsContact C-NH2 3.34Å; V175-R180 PolarHBondContact O-NE 3.26Å; V175-R180 PolarHBondContact O-NH1 3.44Å; V175-R180 PolarHBondContact O-NH2 3.29Å; V175-F229 HydrophobicContact CG2-CE1 4.02Å; V175-F229 HydrophobicContact CG2-CZ 3.74Å; V175-L233 HydrophobicContact CG2-CD1 4.06Å
176	G	57.5	Low	73.3	Confident	73 Å²	73	74.3 Å²	74.3	75%	0.753	38%	0.384	S	S	*	.			trans	-106.2	83.5	-177.3	0	0	0	0	0	112.5
177	W	43.6	Very low	74.5	Confident	217 Å²	217	74 Å²	74	82%	0.822	38%	0.382	S	S	*	.			trans	-141.4	119.3	173.4	-76.9	60.6	0	0	0	109.3	R180	W177-R180 PolarHBondContact O-NE 3.28Å; W177-R180 PolarHBondContact O-NH2 3.25Å
178	G	54.6	Low	75.8	Confident	75 Å²	75	68.6 Å²	68.6	77%	0.773	36%	0.357	S	S	*	.	S	Bend	trans	76.5	168.1	166.5	0	0	0	0	0	118.9	R180	G178-R180 PolarHBondContact O-N 3.08Å; G178-R180 VanDerWaalsContact O-N 3.14Å
179	R	55.6	Low	76.5	Confident	199 Å²	199	64.3 Å²	64.3	75%	0.751	34%	0.337	S	S	*	.	S	Bend	trans	-61.3	106.9	163.3	-80.6	-174.5	176.7	177.5	1.4	107.3
180	R	63.1	Low	76.6	Confident	103 Å²	103	63.9 Å²	63.9	39%	0.389	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-89	148.9	-172.2	-77.3	173.9	-179.8	-124.1	-11.6	112.2	V175 W177 G178 L182	V175-R180 VanDerWaalsContact C-NH2 3.34Å; V175-R180 PolarHBondContact O-NE 3.26Å; V175-R180 PolarHBondContact O-NH1 3.44Å; V175-R180 PolarHBondContact O-NH2 3.29Å; W177-R180 PolarHBondContact O-NE 3.28Å; W177-R180 PolarHBondContact O-NH2 3.25Å; G178-R180 PolarHBondContact O-N 3.08Å; G178-R180 VanDerWaalsContact O-N 3.14Å; R180-L182 PolarHBondContact O-N 3.05Å
181	P	66.4	Low	76.6	Confident	91 Å²	91	59.2 Å²	59.2	59%	0.591	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-65.7	127.1	176.8	26.4	-31.7	0	0	0	109.7
182	L	74.8	Confident	76.3	Confident	60 Å²	60	62.9 Å²	62.9	31%	0.314	33%	0.329	S	S	.	.	S	Bend	trans	-88.1	149.7	168.3	-69.4	170.1	0	0	0	109.2	R180 V184 S290 Y410 T411	R180-L182 PolarHBondContact O-N 3.05Å; L182-V184 HydrophobicContact CD2-CG2 3.94Å; L182-S290 PolarHBondContact O-OG 2.96Å; L182-Y410 HydrophobicContact CD1-CE1 4.16Å; L182-Y410 HydrophobicContact CD2-CD1 4.21Å; L182-Y410 HydrophobicContact CD2-CE1 4.33Å; L182-T411 VanDerWaalsContact CB-O 3.3Å; L182-T411 WeakPolarHBondContact CB-O 3.45Å; L182-T411 VanDerWaalsContact CD1-O 3.22Å; L182-T411 WeakPolarHBondContact CD1-O 3.16Å
183	P	86.4	Confident	75.7	Confident	10 Å²	10	58.2 Å²	58.2	7%	0.065	31%	0.312	C	S	.	.	S	Bend	cis	-76.4	155.6	-0.2	33.1	-35.6	0	0	0	113	T185 F219 S290 P409 Y410	P183-T185 PolarHBondContact O-N 3.42Å; P183-F219 HydrophobicContact CB-CE1 4.47Å; P183-F219 HydrophobicContact CB-CZ 4.12Å; P183-F219 HydrophobicContact CG-CE1 4.21Å; P183-F219 HydrophobicContact CG-CZ 4.35Å; P183-S290 VanDerWaalsContact CD-OG 3.24Å; P183-S290 WeakPolarHBondContact CD-OG 3.32Å; P183-P409 HydrophobicContact CB-CB 3.9Å; P183-P409 HydrophobicContact CG-CB 4.24Å; P183-Y410 WeakPolarHBondContact CA-O 3.15Å; P183-Y410 WeakPolarHBondContact CB-O 3.48Å
184	V	87.9	Confident	75.2	Confident	43 Å²	43	60.3 Å²	60.3	26%	0.261	33%	0.325	S	S	.	.			trans	-74.9	115.7	175.1	-177.7	0	0	0	0	109.2	I171 P173 L182 F219	I171-V184 HydrophobicContact CB-CG1 4.06Å; I171-V184 HydrophobicContact CG2-CG1 3.62Å; P173-V184 HydrophobicContact CG-CG1 3.89Å; P173-V184 HydrophobicContact CG-CG2 4.17Å; L182-V184 HydrophobicContact CD2-CG2 3.94Å; V184-F219 WeakPolarHBondContact O-CZ 3.38Å
185	T	89.8	Confident	75.4	Confident	49 Å²	49	68 Å²	68	30%	0.301	37%	0.365	S	S	.	.			trans	-100.3	-20.5	-177	52.7	0	0	0	0	113.8	P183 F219 S280 C281 P283	P183-T185 PolarHBondContact O-N 3.42Å; T185-F219 HydrophobicContact CG2-CE1 3.91Å; T185-F219 HydrophobicContact CG2-CZ 4.18Å; T185-S280 CarbonylContact O-C 3.57Å; T185-S280 WeakPolarHBondContact O-CA 3.43Å; T185-C281 WeakPolarHBondContact CB-O 3.46Å; T185-C281 PolarHBondContact O-N 3.48Å; T185-P283 HydrophobicContact CG2-CG 4.29Å
186	E	90.4	Very high	75.9	Confident	74 Å²	74	66.6 Å²	66.6	35%	0.346	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	136.8	-176.2	-171.4	178.3	117.4	0	0	112.1	I171 Y230 V279 S280	I171-E186 VanDerWaalsContact CG2-C 3.5Å; E186-Y230 WeakPolarHBondContact CG-OH 3.39Å; E186-Y230 WeakPolarHBondContact OE1-CE2 3.45Å; E186-Y230 PolarHBondContact OE1-OH 2.93Å; E186-V279 WeakPolarHBondContact CA-O 3.49Å; E186-V279 WeakPolarHBondContact CG-O 3.32Å; E186-S280 VanDerWaalsContact OE2-CB 3.25Å; E186-S280 WeakPolarHBondContact OE2-CB 3.12Å; E186-S280 PolarHBondContact OE2-OG 2.05Å
187	G	89.7	Confident	77.3	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.7	-169.1	177.4	0	0	0	0	0	114.1	I171 R172 V278 V279	I171-G187 VanDerWaalsContact CG2-N 3.29Å; R172-G187 CarbonylContact O-C 3.51Å; R172-G187 WeakPolarHBondContact O-CA 3.47Å; G187-V278 WeakPolarHBondContact O-CA 3.46Å; G187-V278 VanDerWaalsContact O-CG1 3.26Å; G187-V278 WeakPolarHBondContact O-CG1 3.41Å; G187-V279 PolarHBondContact N-O 3.33Å; G187-V279 VanDerWaalsContact N-O 3.08Å; G187-V279 PolarHBondContact O-N 3.44Å; G187-V279 VanDerWaalsContact O-N 3.09Å
188	L	89.3	Confident	79.3	Confident	5 Å²	5	57.1 Å²	57.1	3%	0.026	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	136.1	-178.4	-59.6	157.7	0	0	0	109.7	I171 R172 A174 P276 A277 V278	I171-L188 WeakPolarHBondContact CA-O 3.38Å; R172-L188 HydrophobicContact CB-CB 4.45Å; R172-L188 PolarHBondContact N-O 3.44Å; R172-L188 PolarHBondContact O-N 3.28Å; A174-L188 HydrophobicContact CB-CD1 4.22Å; A174-L188 HydrophobicContact CB-CG 4.24Å; L188-P276 HydrophobicContact CD2-CB 3.51Å; L188-P276 HydrophobicContact CD2-CG 3.31Å; L188-A277 WeakPolarHBondContact CA-O 3.23Å; L188-V278 HydrophobicContact CD2-CG2 4.08Å
189	V	90.9	Very high	80.9	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	123	176.1	-176	0	0	0	0	109.6	V169 V200 W205 V213 A277 V279	V169-V189 HydrophobicContact CG1-CG1 4Å; V189-V200 HydrophobicContact CB-CG2 4.49Å; V189-V200 HydrophobicContact CG1-CG2 4.01Å; V189-V200 PolarHBondContact O-N 2.81Å; V189-W205 HydrophobicContact CG2-CZ2 4.32Å; V189-V213 HydrophobicContact CG1-CG1 4.32Å; V189-V213 HydrophobicContact CG1-CG2 4.41Å; V189-V213 HydrophobicContact CG2-CG1 4.25Å; V189-A277 HydrophobicContact CB-CB 4.41Å; V189-A277 HydrophobicContact CG2-CB 4.44Å; V189-A277 PolarHBondContact N-O 2.88Å; V189-V279 HydrophobicContact CG2-CB 4.2Å; V189-V279 HydrophobicContact CG2-CG1 3.56Å; V189-V279 HydrophobicContact CG2-CG2 3.71Å
190	E	89.5	Confident	82.5	Confident	8 Å²	8	44.4 Å²	44.4	4%	0.037	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	138	171	-67.2	-179.4	164.5	0	0	109.7	V169 R170 R172 W197 S198 Q199	V169-E190 WeakPolarHBondContact CA-O 3.49Å; R170-E190 HydrophobicContact CG-CB 4.02Å; R170-E190 IonicContact CZ-OE2 2.86Å; R170-E190 PolarHBondContact N-O 3.06Å; R170-E190 IonicContact NE-OE2 3.24Å; R170-E190 PolarHBondContact NE-OE2 3.32Å; R170-E190 IonicContact NH2-OE2 2.75Å; R170-E190 PolarHBondContact NH2-OE2 3.23Å; R170-E190 PolarHBondContact O-N 3.46Å; R172-E190 HydrophobicContact CB-CG 4.36Å; R172-E190 WeakPolarHBondContact CD-OE1 3.48Å; R172-E190 IonicContact NH1-OE1 3.14Å; R172-E190 PolarHBondContact NH1-OE1 2.82Å; E190-W197 HydrophobicContact CB-CE3 3.91Å; E190-W197 HydrophobicContact CB-CZ3 4.48Å; E190-S198 CarbonylContact C-O 3.55Å; E190-S198 VanDerWaalsContact CA-O 3.31Å; E190-S198 WeakPolarHBondContact CA-O 3.21Å; E190-Q199 HydrophobicContact CG-CG 3.98Å
191	V	86.9	Confident	83.7	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	145.1	173.4	-65	0	0	0	0	109.6	V166 E168 V169 L193 S198 V200 L243 L255	V166-V191 HydrophobicContact CG1-CB 3.92Å; V166-V191 HydrophobicContact CG1-CG1 3.82Å; V166-V191 HydrophobicContact CG2-CB 4.34Å; V166-V191 HydrophobicContact CG2-CG1 4.33Å; E168-V191 CarbonylContact O-C 3.58Å; E168-V191 WeakPolarHBondContact O-CA 3.42Å; V169-V191 HydrophobicContact CG2-CG1 4.26Å; V191-L193 HydrophobicContact CG2-CD1 4.37Å; V191-L193 HydrophobicContact CG2-CD2 4.36Å; V191-L193 HydrophobicContact CG2-CG 4.11Å; V191-S198 WeakPolarHBondContact CG2-O 3.49Å; V191-S198 PolarHBondContact N-O 2.94Å; V191-S198 PolarHBondContact O-N 3.44Å; V191-V200 HydrophobicContact CG1-CG2 3.74Å; V191-V200 HydrophobicContact CG2-CG2 4.23Å; V191-L243 HydrophobicContact CB-CD1 4.28Å; V191-L243 HydrophobicContact CG1-CD1 3.84Å; V191-L243 HydrophobicContact CG2-CD1 3.67Å; V191-L243 HydrophobicContact CG2-CG 4.29Å; V191-L255 HydrophobicContact CG1-CD1 4.28Å
192	R	82.8	Confident	84.7	Confident	96 Å²	96	37.3 Å²	37.3	36%	0.362	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	119.3	171.5	-171.2	172.3	-175.3	158.3	-2.3	109.3	E167 E168 W197	E167-R192 HydrophobicContact CB-CB 4.49Å; E167-R192 PolarHBondContact N-O 3.03Å; E167-R192 IonicContact OE2-NE 3.18Å; E168-R192 HydrophobicContact CB-CB 3.84Å; E168-R192 PolarHBondContact O-N 3.24Å; E168-R192 IonicContact OE1-NH1 3.16Å; E168-R192 WeakPolarHBondContact OE2-CD 3Å; E168-R192 IonicContact OE2-CZ 3.85Å; E168-R192 IonicContact OE2-NE 2.69Å; E168-R192 IonicContact OE2-NH1 2.79Å; E168-R192 PolarHBondContact OE2-NH1 3.16Å; R192-W197 HydrophobicContact CB-CD2 4.26Å; R192-W197 HydrophobicContact CB-CE3 4.12Å; R192-W197 HydrophobicContact CB-CH2 4Å; R192-W197 HydrophobicContact CB-CZ2 4.13Å; R192-W197 HydrophobicContact CB-CZ3 3.97Å; R192-W197 HydrophobicContact CG-CZ2 4.5Å
193	L	75.7	Confident	85.2	Confident	10 Å²	10	39.8 Å²	39.8	5%	0.052	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	168.7	172.5	-60.6	176.6	0	0	0	108.3	L164 V166 V191 D195 G196 F262	L164-L193 HydrophobicContact CD2-CD1 4.26Å; L164-L193 HydrophobicContact CD2-CD2 4.48Å; V166-L193 HydrophobicContact CG2-CD2 4.36Å; V191-L193 HydrophobicContact CG2-CD1 4.37Å; V191-L193 HydrophobicContact CG2-CD2 4.36Å; V191-L193 HydrophobicContact CG2-CG 4.11Å; L193-D195 PolarHBondContact O-N 3.43Å; L193-D195 VanDerWaalsContact O-N 3.12Å; L193-G196 PolarHBondContact N-O 3.18Å; L193-G196 WeakPolarHBondContact O-CA 3.08Å; L193-G196 PolarHBondContact O-N 3.3Å; L193-F262 HydrophobicContact CD2-CE1 4.06Å
194	P	69.5	Low	85.2	Confident	90 Å²	90	42.6 Å²	42.6	58%	0.584	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-34.8	-179.2	-29.4	36.7	0	0	0	114.3	G196	P194-G196 PolarHBondContact O-N 2.89Å
195	D	70.9	Confident	85.3	Confident	169 Å²	169	42.7 Å²	42.7	90%	0.904	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	2.3	179	-59.5	-40	0	0	0	113.9	L193	L193-D195 PolarHBondContact O-N 3.43Å; L193-D195 VanDerWaalsContact O-N 3.12Å
196	G	79.6	Confident	85.4	Confident	26 Å²	26	42.2 Å²	42.2	27%	0.268	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	112.2	-162.6	179.7	0	0	0	0	0	114.3	L193 P194	L193-G196 PolarHBondContact N-O 3.18Å; L193-G196 WeakPolarHBondContact O-CA 3.08Å; L193-G196 PolarHBondContact O-N 3.3Å; P194-G196 PolarHBondContact O-N 2.89Å
197	W	85.8	Confident	85.5	Confident	78 Å²	78	41.7 Å²	41.7	30%	0.295	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	126.8	-176.7	-71.1	94.1	0	0	0	111.7	E168 R170 E190 R192	E168-W197 HydrophobicContact CB-CH2 3.7Å; E168-W197 HydrophobicContact CB-CZ2 4.34Å; E168-W197 HydrophobicContact CB-CZ3 4.43Å; E168-W197 WeakPolarHBondContact OE2-CZ2 3.45Å; R170-W197 HydrophobicContact CB-CH2 4.01Å; R170-W197 HydrophobicContact CB-CZ3 3.95Å; R170-W197 HydrophobicContact CG-CE3 3.86Å; R170-W197 HydrophobicContact CG-CH2 3.84Å; R170-W197 HydrophobicContact CG-CZ3 3.45Å; R170-W197 VanDerWaalsContact CG-CZ3 3.45Å; R170-W197 VanDerWaalsContact CZ-CD2 3.43Å; E190-W197 HydrophobicContact CB-CE3 3.91Å; E190-W197 HydrophobicContact CB-CZ3 4.48Å; R192-W197 HydrophobicContact CB-CD2 4.26Å; R192-W197 HydrophobicContact CB-CE3 4.12Å; R192-W197 HydrophobicContact CB-CH2 4Å; R192-W197 HydrophobicContact CB-CZ2 4.13Å; R192-W197 HydrophobicContact CB-CZ3 3.97Å; R192-W197 HydrophobicContact CG-CZ2 4.5Å
198	S	86.9	Confident	85.6	Confident	14 Å²	14	46.3 Å²	46.3	10%	0.098	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	149.9	178.8	-64.5	0	0	0	0	111.5	E190 V191	E190-S198 CarbonylContact C-O 3.55Å; E190-S198 VanDerWaalsContact CA-O 3.31Å; E190-S198 WeakPolarHBondContact CA-O 3.21Å; V191-S198 WeakPolarHBondContact CG2-O 3.49Å; V191-S198 PolarHBondContact N-O 2.94Å; V191-S198 PolarHBondContact O-N 3.44Å
199	Q	87.7	Confident	85.8	Confident	7 Å²	7	46.1 Å²	46.1	3%	0.033	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	160.4	178.3	-65.6	166.9	-46.6	0	0	111.7	E190 H239 S240 F241 G242	E190-Q199 HydrophobicContact CG-CG 3.98Å; Q199-H239 PolarHBondContact NE2-ND1 3.36Å; Q199-H239 VanDerWaalsContact NE2-ND1 3.19Å; Q199-H239 PolarHBondContact OE1-ND1 3.36Å; Q199-H239 VanDerWaalsContact OE1-ND1 3.12Å; Q199-S240 WeakPolarHBondContact CB-O 3.41Å; Q199-S240 PolarHBondContact N-O 2.77Å; Q199-F241 HydrophobicContact CB-CD1 4.13Å; Q199-F241 HydrophobicContact CB-CE1 4.43Å; Q199-F241 VanDerWaalsContact O-CA 3.31Å; Q199-F241 WeakPolarHBondContact O-CA 3.47Å; Q199-G242 PolarHBondContact O-N 2.88Å
200	V	89.1	Confident	86	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	136.3	175.4	-171.3	0	0	0	0	110.2	V189 V191 W205 L243 V246 P276 A277	V189-V200 HydrophobicContact CB-CG2 4.49Å; V189-V200 HydrophobicContact CG1-CG2 4.01Å; V189-V200 PolarHBondContact O-N 2.81Å; V191-V200 HydrophobicContact CG1-CG2 3.74Å; V191-V200 HydrophobicContact CG2-CG2 4.23Å; V200-W205 HydrophobicContact CB-CZ3 4.37Å; V200-W205 HydrophobicContact CG1-CE3 4.13Å; V200-W205 HydrophobicContact CG1-CZ3 3.63Å; V200-L243 HydrophobicContact CB-CB 4.45Å; V200-L243 HydrophobicContact CG1-CB 3.93Å; V200-L243 HydrophobicContact CG1-CD1 4.45Å; V200-L243 HydrophobicContact CG2-CB 4.32Å; V200-L243 HydrophobicContact CG2-CD1 3.96Å; V200-V246 HydrophobicContact CG1-CG2 3.71Å; V200-P276 WeakPolarHBondContact O-CA 3.08Å; V200-A277 HydrophobicContact CB-CB 4.09Å; V200-A277 HydrophobicContact CG1-CB 4.43Å; V200-A277 PolarHBondContact O-N 2.86Å
201	C	88.3	Confident	86.2	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.007	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-70.9	137.2	176	-175.8	0	0	0	0	110.6	K203 F241 L243 H244 C271	C201-K203 PolarHBondContact O-N 2.88Å; C201-F241 HydrophobicContact CB-CD1 4.16Å; C201-F241 HydrophobicContact CB-CE1 4.48Å; C201-L243 WeakPolarHBondContact CB-O 3.48Å; C201-L243 PolarHBondContact N-O 3.18Å; C201-L243 VanDerWaalsContact N-O 3.15Å; C201-H244 WeakPolarHBondContact CB-O 3.26Å; C201-C271 HydrophobicContact CB-CB 3.83Å; C201-C271 WeakPolarHBondContact CB-SG 3.47Å; C201-C271 WeakPolarHBondContact SG-CB 3.4Å; C201-C271 CovalentContact SG-SG 2.04Å; C201-C271 PolarHBondContact SG-SG 3.47Å
202	D	88	Confident	86.5	Confident	43 Å²	43	48.4 Å²	48.4	23%	0.23	27%	0.274	C	S	.	.			trans	-79.6	-3.4	-179.2	76.7	-17	0	0	0	113.8	G204 W205 G274 G275 A277	D202-G204 PolarHBondContact O-N 3.12Å; D202-W205 HydrophobicContact CB-CB 4.44Å; D202-W205 WeakPolarHBondContact O-CB 3.46Å; D202-W205 PolarHBondContact O-N 2.83Å; D202-G274 WeakPolarHBondContact OD1-CA 2.91Å; D202-G275 WeakPolarHBondContact CB-O 3.34Å; D202-G275 VanDerWaalsContact CG-N 3.31Å; D202-G275 VanDerWaalsContact CG-O 3.32Å; D202-G275 PolarHBondContact N-O 2.66Å; D202-G275 PolarHBondContact OD1-N 2.78Å; D202-A277 HydrophobicContact CB-CB 4.49Å
203	K	85.4	Confident	87	Confident	113 Å²	113	43.9 Å²	43.9	49%	0.491	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	116	-178.4	-168.6	179.6	-179.7	-175.7	0	109.9	C201 W205	C201-K203 PolarHBondContact O-N 2.88Å; K203-W205 VanDerWaalsContact C-N 3.27Å
204	G	84.7	Confident	88	Confident	69 Å²	69	43.4 Å²	43.4	71%	0.711	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	8.5	-174.1	0	0	0	0	0	114	D202 S206	D202-G204 PolarHBondContact O-N 3.12Å; G204-S206 PolarHBondContact O-N 2.86Å
205	W	90.3	Very high	89.1	Confident	45 Å²	45	39.4 Å²	39.4	17%	0.17	23%	0.23	C	C	.	.			trans	-67.2	119.4	179.5	-167	-91	0	0	0	111.7	V189 V200 D202 K203 N209 S210 V213 V246 A277 V279	V189-W205 HydrophobicContact CG2-CZ2 4.32Å; V200-W205 HydrophobicContact CB-CZ3 4.37Å; V200-W205 HydrophobicContact CG1-CE3 4.13Å; V200-W205 HydrophobicContact CG1-CZ3 3.63Å; D202-W205 HydrophobicContact CB-CB 4.44Å; D202-W205 WeakPolarHBondContact O-CB 3.46Å; D202-W205 PolarHBondContact O-N 2.83Å; K203-W205 VanDerWaalsContact C-N 3.27Å; W205-N209 HydrophobicContact CD2-CB 3.83Å; W205-N209 HydrophobicContact CE3-CB 4.02Å; W205-N209 HydrophobicContact CG-CB 4.46Å; W205-N209 HydrophobicContact CH2-CB 3.9Å; W205-N209 HydrophobicContact CZ2-CB 3.7Å; W205-N209 HydrophobicContact CZ3-CB 4.04Å; W205-S210 PolarHBondContact NE1-OG 2.94Å; W205-V213 HydrophobicContact CH2-CG2 3.86Å; W205-V213 HydrophobicContact CZ2-CG2 4.02Å; W205-V246 HydrophobicContact CE3-CB 4.33Å; W205-V246 HydrophobicContact CZ3-CB 3.87Å; W205-V246 HydrophobicContact CZ3-CG1 4.21Å; W205-V246 HydrophobicContact CZ3-CG2 4.02Å; W205-A277 HydrophobicContact CD2-CB 3.72Å; W205-A277 HydrophobicContact CE3-CB 3.74Å; W205-A277 HydrophobicContact CG-CB 4.26Å; W205-A277 HydrophobicContact CH2-CB 4.32Å; W205-A277 HydrophobicContact CZ2-CB 4.31Å; W205-A277 HydrophobicContact CZ3-CB 4.06Å; W205-V279 HydrophobicContact CZ2-CG1 3.97Å
206	S	92.1	Very high	90.1	Very high	39 Å²	39	32.5 Å²	32.5	27%	0.273	19%	0.192	S	C	.	.			trans	-105.1	170.4	-176.4	80.9	0	0	0	0	112.7	G204 H208 N209 S210	G204-S206 PolarHBondContact O-N 2.86Å; S206-H208 VanDerWaalsContact C-N 3.27Å; S206-H208 PolarHBondContact O-N 3.19Å; S206-H208 PolarHBondContact OG-N 3.04Å; S206-N209 PolarHBondContact N-ND2 2.75Å; S206-N209 VanDerWaalsContact N-ND2 3.19Å; S206-N209 PolarHBondContact O-N 2.96Å; S206-N209 PolarHBondContact OG-N 3.06Å; S206-N209 PolarHBondContact OG-OD1 3.3Å; S206-S210 PolarHBondContact O-N 2.95Å; S206-S210 PolarHBondContact O-OG 3.34Å
207	A	92.1	Very high	90.7	Very high	62 Å²	62	32.6 Å²	32.6	51%	0.512	19%	0.186	S	C	.	.	H	α-helix	trans	-63.2	-34.5	170.4	0	0	0	0	0	112	N209 S210 H211	A207-N209 VanDerWaalsContact C-N 3.31Å; A207-N209 PolarHBondContact O-N 3.12Å; A207-S210 WeakPolarHBondContact O-CB 3.27Å; A207-S210 PolarHBondContact O-N 3.27Å; A207-H211 PolarHBondContact O-N 2.81Å
208	H	92.9	Very high	91	Very high	98 Å²	98	28.9 Å²	28.9	45%	0.454	17%	0.172	S	C	.	.	H	α-helix	trans	-62.9	-38	176.3	-56.7	107.6	0	0	0	111.9	S206 H211 V212 C248 V249	S206-H208 VanDerWaalsContact C-N 3.27Å; S206-H208 PolarHBondContact O-N 3.19Å; S206-H208 PolarHBondContact OG-N 3.04Å; H208-H211 WeakPolarHBondContact O-CB 3.38Å; H208-H211 PolarHBondContact O-N 2.03Å; H208-V212 WeakPolarHBondContact O-CG2 3.34Å; H208-V212 PolarHBondContact O-N 3.12Å; H208-C248 WeakPolarHBondContact CB-O 3.46Å; H208-V249 PolarHBondContact CD2-O 3.16Å
209	N	93.4	Very high	91.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.2	-44.9	174.3	-57.2	-5.2	0	0	0	110.9	W205 S206 A207 H211 V212 V213 V246 C248	W205-N209 HydrophobicContact CD2-CB 3.83Å; W205-N209 HydrophobicContact CE3-CB 4.02Å; W205-N209 HydrophobicContact CG-CB 4.46Å; W205-N209 HydrophobicContact CH2-CB 3.9Å; W205-N209 HydrophobicContact CZ2-CB 3.7Å; W205-N209 HydrophobicContact CZ3-CB 4.04Å; S206-N209 PolarHBondContact N-ND2 2.75Å; S206-N209 VanDerWaalsContact N-ND2 3.19Å; S206-N209 PolarHBondContact O-N 2.96Å; S206-N209 PolarHBondContact OG-N 3.06Å; S206-N209 PolarHBondContact OG-OD1 3.3Å; A207-N209 VanDerWaalsContact C-N 3.31Å; A207-N209 PolarHBondContact O-N 3.12Å; N209-H211 VanDerWaalsContact C-N 3.3Å; N209-H211 PolarHBondContact O-N 2.77Å; N209-V212 PolarHBondContact O-N 3.11Å; N209-V213 WeakPolarHBondContact O-CG2 3.1Å; N209-V213 PolarHBondContact O-N 2.76Å; N209-V246 PolarHBondContact ND2-O 2.88Å; N209-C248 PolarHBondContact OD1-N 3.33Å
210	S	94.5	Very high	91.7	Very high	15 Å²	15	29 Å²	29	11%	0.105	17%	0.173	C	C	.	.	H	α-helix	trans	-61.3	-38.7	174.8	-60.7	0	0	0	0	112	W205 S206 A207 V213 C214	W205-S210 PolarHBondContact NE1-OG 2.94Å; S206-S210 PolarHBondContact O-N 2.95Å; S206-S210 PolarHBondContact O-OG 3.34Å; A207-S210 WeakPolarHBondContact O-CB 3.27Å; A207-S210 PolarHBondContact O-N 3.27Å; S210-V213 PolarHBondContact O-N 3.23Å; S210-C214 WeakPolarHBondContact O-CB 3.12Å; S210-C214 PolarHBondContact O-N 3.18Å; S210-C214 PolarHBondContact O-SG 2.93Å; S210-C214 VanDerWaalsContact O-SG 3.33Å
211	H	94.1	Very high	91.8	Very high	40 Å²	40	31.2 Å²	31.2	19%	0.185	19%	0.188	C	C	.	.	H	α-helix	trans	-60.9	-50	176.9	-170.1	73.9	0	0	0	111.6	A207 H208 N209 V213 C214 G215 E222 G250 R346	A207-H211 PolarHBondContact O-N 2.81Å; H208-H211 WeakPolarHBondContact O-CB 3.38Å; H208-H211 PolarHBondContact O-N 2.03Å; N209-H211 VanDerWaalsContact C-N 3.3Å; N209-H211 PolarHBondContact O-N 2.77Å; H211-V213 PolarHBondContact O-N 2.85Å; H211-C214 PolarHBondContact O-N 3.49Å; H211-G215 PolarHBondContact O-N 3.02Å; H211-E222 IonicContact CE1-OE2 3.39Å; H211-E222 IonicContact CG-OE2 2.89Å; H211-E222 IonicContact ND1-OE2 3.94Å; H211-E222 PolarHBondContact ND1-OE2 2.78Å; H211-G250 PolarHBondContact CD2-O 2.85Å; H211-R346 PolarHBondContact NE2-NH1 3.21Å
212	V	92.8	Very high	92.1	Very high	2 Å²	2	34 Å²	34	1%	0.012	20%	0.201	C	C	.	.	H	α-helix	trans	-61.4	-45.2	178.5	175.4	0	0	0	0	111	H208 N209 G215 M216 C248 E252 L255	H208-V212 WeakPolarHBondContact O-CG2 3.34Å; H208-V212 PolarHBondContact O-N 3.12Å; N209-V212 PolarHBondContact O-N 3.11Å; V212-G215 PolarHBondContact O-N 3.32Å; V212-M216 HydrophobicContact CG1-SD 4.22Å; V212-M216 WeakPolarHBondContact O-CG 3.42Å; V212-M216 PolarHBondContact O-N 3.12Å; V212-C248 HydrophobicContact CG2-CB 3.79Å; V212-E252 HydrophobicContact CG1-CB 4.39Å; V212-E252 HydrophobicContact CG2-CB 4.09Å; V212-L255 HydrophobicContact CG1-CD2 4.01Å; V212-L255 HydrophobicContact CG1-CG 4.37Å
213	V	93.9	Very high	92.3	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.2	-46.7	177.6	171.2	0	0	0	0	111.7	V169 V189 W205 N209 S210 H211 G215 M216 L217 L255 V279	V169-V213 HydrophobicContact CG1-CG1 4.03Å; V189-V213 HydrophobicContact CG1-CG1 4.32Å; V189-V213 HydrophobicContact CG1-CG2 4.41Å; V189-V213 HydrophobicContact CG2-CG1 4.25Å; W205-V213 HydrophobicContact CH2-CG2 3.86Å; W205-V213 HydrophobicContact CZ2-CG2 4.02Å; N209-V213 WeakPolarHBondContact O-CG2 3.1Å; N209-V213 PolarHBondContact O-N 2.76Å; S210-V213 PolarHBondContact O-N 3.23Å; H211-V213 PolarHBondContact O-N 2.85Å; V213-G215 VanDerWaalsContact C-N 3.3Å; V213-G215 PolarHBondContact O-N 3.16Å; V213-M216 PolarHBondContact O-N 3.45Å; V213-L217 HydrophobicContact CG1-CD1 3.76Å; V213-L217 WeakPolarHBondContact O-CD1 3.39Å; V213-L217 VanDerWaalsContact O-CG 3.23Å; V213-L217 WeakPolarHBondContact O-CG 3.47Å; V213-L217 PolarHBondContact O-N 3.03Å; V213-L217 VanDerWaalsContact O-N 3.12Å; V213-L255 HydrophobicContact CG2-CD1 3.94Å; V213-L255 HydrophobicContact CG2-CD2 4.01Å; V213-L255 HydrophobicContact CG2-CG 4.14Å; V213-V279 HydrophobicContact CB-CG1 4.35Å; V213-V279 HydrophobicContact CG1-CG1 4.17Å; V213-V279 HydrophobicContact CG1-CG2 4.09Å
214	C	95.1	Very high	92.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.6	-41.3	176.7	-73.2	0	0	0	0	111.2	S210 H211 L217 G218 F219 E222 C281	S210-C214 WeakPolarHBondContact O-CB 3.12Å; S210-C214 PolarHBondContact O-N 3.18Å; S210-C214 PolarHBondContact O-SG 2.93Å; S210-C214 VanDerWaalsContact O-SG 3.33Å; H211-C214 PolarHBondContact O-N 3.49Å; C214-L217 CarbonylContact O-C 3.48Å; C214-L217 PolarHBondContact O-N 2.93Å; C214-G218 PolarHBondContact O-N 3.3Å; C214-F219 CarbonylContact C-O 3.6Å; C214-F219 HydrophobicContact CB-CB 4.1Å; C214-F219 WeakPolarHBondContact O-CA 3.47Å; C214-F219 WeakPolarHBondContact O-CB 3.33Å; C214-F219 PolarHBondContact O-N 2.97Å; C214-E222 HydrophobicContact CB-CB 4.41Å; C214-C281 WeakPolarHBondContact CA-SG 3.06Å; C214-C281 HydrophobicContact CB-CB 3.82Å; C214-C281 WeakPolarHBondContact CB-SG 3.45Å; C214-C281 WeakPolarHBondContact SG-CA 3.45Å; C214-C281 WeakPolarHBondContact SG-CB 3.15Å; C214-C281 CovalentContact SG-SG 2.05Å; C214-C281 PolarHBondContact SG-SG 2.87Å
215	G	93.7	Very high	92.6	Very high	7 Å²	7	42.9 Å²	42.9	7%	0.072	21%	0.214	C	C	.	.	H	α-helix	trans	-57.7	-48.6	174.2	0	0	0	0	0	112.8	H211 V212 V213 L217 G218 F219 G351 S352	H211-G215 PolarHBondContact O-N 3.02Å; V212-G215 PolarHBondContact O-N 3.32Å; V213-G215 VanDerWaalsContact C-N 3.3Å; V213-G215 PolarHBondContact O-N 3.16Å; G215-L217 PolarHBondContact O-N 3.41Å; G215-G218 PolarHBondContact O-N 3.4Å; G215-F219 WeakPolarHBondContact CA-O 3.18Å; G215-F219 PolarHBondContact N-O 3.23Å; G215-G351 CarbonylContact O-C 3.47Å; G215-G351 WeakPolarHBondContact O-CA 3.48Å; G215-S352 VanDerWaalsContact C-OG 3.28Å; G215-S352 PolarHBondContact O-N 3.27Å; G215-S352 PolarHBondContact O-OG 2.81Å
216	M	91.1	Very high	92.3	Very high	23 Å²	23	45.9 Å²	45.9	11%	0.113	23%	0.234	C	C	.	.	H	α-helix	trans	-61.2	-31.2	177.4	-71.8	175.8	60.6	0	0	113.4	V169 V212 V213 G218 A253 H254 L255 S352 N407	V169-M216 HydrophobicContact CB-CE 4Å; V169-M216 HydrophobicContact CG2-CE 3.3Å; V169-M216 HydrophobicContact CG2-SD 4.19Å; V212-M216 HydrophobicContact CG1-SD 4.22Å; V212-M216 WeakPolarHBondContact O-CG 3.42Å; V212-M216 PolarHBondContact O-N 3.12Å; V213-M216 PolarHBondContact O-N 3.45Å; M216-G218 PolarHBondContact O-N 3Å; M216-A253 WeakPolarHBondContact CG-O 3.38Å; M216-H254 WeakPolarHBondContact CE-CD2 3.45Å; M216-H254 WeakPolarHBondContact CE-NE2 3.37Å; M216-H254 HydrophobicContact SD-CB 4.48Å; M216-L255 HydrophobicContact SD-CB 3.9Å; M216-L255 HydrophobicContact SD-CG 3.71Å; M216-L255 PolarHBondContact SD-N 3.09Å; M216-S352 PolarHBondContact N-OG 2.73Å; M216-N407 WeakPolarHBondContact O-CB 3.31Å
217	L	91.9	Very high	91.6	Very high	29 Å²	29	46.6 Å²	46.6	15%	0.152	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	7.7	179.5	-64.5	170.3	0	0	0	113.1	V169 I171 V213 C214 G215 F219 P409	V169-L217 VanDerWaalsContact O-CD2 3.31Å; V169-L217 WeakPolarHBondContact O-CD2 3.48Å; I171-L217 HydrophobicContact CD1-CD1 3.39Å; I171-L217 HydrophobicContact CG1-CD1 3.41Å; I171-L217 VanDerWaalsContact CG1-CD1 3.41Å; V213-L217 HydrophobicContact CG1-CD1 3.76Å; V213-L217 WeakPolarHBondContact O-CD1 3.39Å; V213-L217 VanDerWaalsContact O-CG 3.23Å; V213-L217 WeakPolarHBondContact O-CG 3.47Å; V213-L217 PolarHBondContact O-N 3.03Å; V213-L217 VanDerWaalsContact O-N 3.12Å; C214-L217 CarbonylContact O-C 3.48Å; C214-L217 PolarHBondContact O-N 2.93Å; G215-L217 PolarHBondContact O-N 3.41Å; L217-F219 HydrophobicContact CB-CD2 3.72Å; L217-F219 HydrophobicContact CB-CE2 3.86Å; L217-F219 WeakPolarHBondContact O-CD2 3.35Å; L217-F219 WeakPolarHBondContact O-CE2 3.48Å; L217-P409 VanDerWaalsContact O-CA 3.24Å; L217-P409 WeakPolarHBondContact O-CA 3.29Å
218	G	92.5	Very high	90.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	84	18.8	176	0	0	0	0	0	115.4	C214 G215 M216 G351 N407 P409	C214-G218 PolarHBondContact O-N 3.3Å; G215-G218 PolarHBondContact O-N 3.4Å; M216-G218 PolarHBondContact O-N 3Å; G218-G351 VanDerWaalsContact C-N 3.3Å; G218-G351 PolarHBondContact O-N 3.42Å; G218-N407 VanDerWaalsContact CA-C 3.49Å; G218-N407 WeakPolarHBondContact CA-O 3.19Å; G218-P409 WeakPolarHBondContact O-CD 3.5Å
219	F	95	Very high	90.5	Very high	5 Å²	5	46.3 Å²	46.3	2%	0.022	24%	0.24	C	C	.	.			trans	-106.5	133	177.6	-58.3	-77.7	0	0	0	111.6	P183 V184 T185 C214 G215 L217 S221 C281 P283 P409	P183-F219 HydrophobicContact CB-CE1 4.47Å; P183-F219 HydrophobicContact CB-CZ 4.12Å; P183-F219 HydrophobicContact CG-CE1 4.21Å; P183-F219 HydrophobicContact CG-CZ 4.35Å; V184-F219 WeakPolarHBondContact O-CZ 3.38Å; T185-F219 HydrophobicContact CG2-CE1 3.91Å; T185-F219 HydrophobicContact CG2-CZ 4.18Å; C214-F219 CarbonylContact C-O 3.6Å; C214-F219 HydrophobicContact CB-CB 4.1Å; C214-F219 WeakPolarHBondContact O-CA 3.47Å; C214-F219 WeakPolarHBondContact O-CB 3.33Å; C214-F219 PolarHBondContact O-N 2.97Å; G215-F219 WeakPolarHBondContact CA-O 3.18Å; G215-F219 PolarHBondContact N-O 3.23Å; L217-F219 HydrophobicContact CB-CD2 3.72Å; L217-F219 HydrophobicContact CB-CE2 3.86Å; L217-F219 WeakPolarHBondContact O-CD2 3.35Å; L217-F219 WeakPolarHBondContact O-CE2 3.48Å; F219-S221 VanDerWaalsContact C-N 3.29Å; F219-S221 PolarHBondContact O-N 3.21Å; F219-C281 HydrophobicContact CB-CB 3.63Å; F219-C281 HydrophobicContact CD1-CB 3.99Å; F219-C281 HydrophobicContact CD2-CB 3.42Å; F219-C281 VanDerWaalsContact CD2-CB 3.42Å; F219-C281 HydrophobicContact CE2-CB 4.01Å; F219-C281 HydrophobicContact CG-CB 3.41Å; F219-C281 VanDerWaalsContact CG-CB 3.41Å; F219-P283 HydrophobicContact CD1-CB 4.39Å; F219-P283 HydrophobicContact CE1-CB 4.27Å; F219-P409 HydrophobicContact CD1-CB 4.48Å; F219-P409 HydrophobicContact CE1-CB 3.89Å; F219-P409 HydrophobicContact CE2-CB 4.31Å; F219-P409 HydrophobicContact CZ-CB 3.8Å
220	P	93.9	Very high	89.8	Confident	19 Å²	19	47.3 Å²	47.3	12%	0.123	24%	0.243	C	C	.	.	S	Bend	trans	-71.2	-20.5	-176.5	25	-35.7	0	0	0	114.6	V282 R346 G349 F350	P220-V282 WeakPolarHBondContact CD-O 3.21Å; P220-R346 HydrophobicContact CB-CG 4Å; P220-R346 WeakPolarHBondContact O-CD 2.99Å; P220-R346 WeakPolarHBondContact O-CG 3.37Å; P220-G349 WeakPolarHBondContact CD-O 3.06Å; P220-F350 WeakPolarHBondContact CA-O 3.26Å; P220-F350 VanDerWaalsContact CB-O 3.25Å; P220-F350 WeakPolarHBondContact CB-O 3.45Å
221	S	93	Very high	88.9	Confident	46 Å²	46	54.1 Å²	54.1	32%	0.322	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	166.6	-176.3	57.9	0	0	0	0	113	F219 V282	F219-S221 VanDerWaalsContact C-N 3.29Å; F219-S221 PolarHBondContact O-N 3.21Å; S221-V282 PolarHBondContact O-N 3.24Å; S221-V282 WeakPolarHBondContact OG-CB 3.22Å
222	E	93.6	Very high	88.1	Confident	58 Å²	58	57.4 Å²	57.4	27%	0.271	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	158.4	-179.3	76.4	-68.2	170.6	0	0	112.7	H211 C214 S280	H211-E222 IonicContact CE1-OE2 3.39Å; H211-E222 IonicContact CG-OE2 2.89Å; H211-E222 IonicContact ND1-OE2 3.94Å; H211-E222 PolarHBondContact ND1-OE2 2.78Å; C214-E222 HydrophobicContact CB-CB 4.41Å; E222-S280 CarbonylContact C-O 3.28Å; E222-S280 WeakPolarHBondContact CA-O 3.07Å
223	K	92.4	Very high	87.2	Confident	128 Å²	128	58.9 Å²	58.9	56%	0.557	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.1	158.2	172.5	-80.6	170.6	-177.6	167.7	0	110.1	V225 S280 V282	K223-V225 PolarHBondContact O-N 3.05Å; K223-S280 PolarHBondContact N-O 3.38Å; K223-V282 HydrophobicContact CB-CG2 4.47Å; K223-V282 HydrophobicContact CD-CG2 3.65Å; K223-V282 VanDerWaalsContact CE-CG2 3.43Å; K223-V282 HydrophobicContact CG-CG2 3.53Å
224	R	88.3	Confident	86.1	Confident	248 Å²	248	59.6 Å²	59.6	94%	0.936	30%	0.299	S	S	*	.			trans	-68.9	128.7	175.3	-66.3	-174	180	-176.9	0.1	110.5
225	V	86.9	Confident	85	Confident	37 Å²	37	67.2 Å²	67.2	22%	0.224	33%	0.334	C	S	.	.			trans	-85.6	145.3	176.5	-176.5	0	0	0	0	110.4	K223 A227 Y230 V278	K223-V225 PolarHBondContact O-N 3.05Å; V225-A227 VanDerWaalsContact C-N 3.35Å; V225-A227 PolarHBondContact O-N 2.76Å; V225-Y230 HydrophobicContact CG1-CD2 3.51Å; V225-Y230 HydrophobicContact CG1-CE2 3.51Å; V225-V278 HydrophobicContact CG1-CB 4.08Å; V225-V278 HydrophobicContact CG1-CG1 3.62Å; V225-V278 HydrophobicContact CG2-CG1 4.23Å
226	N	84.6	Confident	83.9	Confident	107 Å²	107	77.7 Å²	77.7	57%	0.572	37%	0.372	S	S	*	.			trans	-74.9	85.2	167.6	-174.4	-8.7	0	0	0	111	A228 F229 Y230	N226-A228 PolarHBondContact O-N 3.27Å; N226-A228 VanDerWaalsContact O-N 3.12Å; N226-A228 PolarHBondContact OD1-N 2.9Å; N226-F229 HydrophobicContact CB-CB 4.48Å; N226-F229 PolarHBondContact O-N 3.47Å; N226-Y230 WeakPolarHBondContact O-CD2 3.42Å
227	A	76.8	Confident	82.9	Confident	54 Å²	54	80 Å²	80	45%	0.446	38%	0.382	S	S	.	.	H	α-helix	trans	-56.8	-28.7	-176.9	0	0	0	0	0	114.1	V225 Y230 R231	V225-A227 VanDerWaalsContact C-N 3.35Å; V225-A227 PolarHBondContact O-N 2.76Å; A227-Y230 PolarHBondContact O-N 3.47Å; A227-R231 WeakPolarHBondContact O-CB 3.49Å; A227-R231 WeakPolarHBondContact O-CG 3.41Å; A227-R231 PolarHBondContact O-N 3.06Å
228	A	79.3	Confident	81.7	Confident	62 Å²	62	88 Å²	88	51%	0.512	42%	0.419	S	S	.	.	H	α-helix	trans	-66.4	-39.8	-179.9	0	0	0	0	0	112.3	N226 L232	N226-A228 PolarHBondContact O-N 3.27Å; N226-A228 VanDerWaalsContact O-N 3.12Å; N226-A228 PolarHBondContact OD1-N 2.9Å; A228-L232 WeakPolarHBondContact O-CG 3.46Å; A228-L232 PolarHBondContact O-N 3.41Å
229	F	82.8	Confident	80.8	Confident	93 Å²	93	90.1 Å²	90.1	41%	0.408	43%	0.429	S	S	.	.	H	α-helix	trans	-63.4	-47	177	173.4	-101	0	0	0	111.6	V175 N226 L232 L233	V175-F229 HydrophobicContact CG2-CE1 4.02Å; V175-F229 HydrophobicContact CG2-CZ 3.74Å; N226-F229 HydrophobicContact CB-CB 4.48Å; N226-F229 PolarHBondContact O-N 3.47Å; F229-L232 PolarHBondContact O-N 2.78Å; F229-L233 HydrophobicContact CD1-CD1 4.37Å; F229-L233 HydrophobicContact CE1-CD1 3.56Å; F229-L233 HydrophobicContact CE2-CD1 4.29Å; F229-L233 HydrophobicContact CZ-CD1 3.51Å; F229-L233 PolarHBondContact O-N 2.85Å; F229-L233 VanDerWaalsContact O-N 3.15Å
230	Y	79.2	Confident	79.9	Confident	20 Å²	20	92.4 Å²	92.4	8%	0.078	45%	0.446	C	S	.	.	H	α-helix	trans	-72.4	-31.4	-177.7	-74.3	-88.9	0	0	0	113.2	A174 E186 V225 N226 A227 L233 A234 V278	A174-Y230 HydrophobicContact CB-CD1 3.74Å; A174-Y230 HydrophobicContact CB-CE1 3.27Å; E186-Y230 WeakPolarHBondContact CG-OH 3.39Å; E186-Y230 WeakPolarHBondContact OE1-CE2 3.45Å; E186-Y230 PolarHBondContact OE1-OH 2.93Å; V225-Y230 HydrophobicContact CG1-CD2 3.51Å; V225-Y230 HydrophobicContact CG1-CE2 3.51Å; N226-Y230 WeakPolarHBondContact O-CD2 3.42Å; A227-Y230 PolarHBondContact O-N 3.47Å; Y230-L233 PolarHBondContact O-N 3.13Å; Y230-A234 WeakPolarHBondContact O-CB 3.28Å; Y230-A234 PolarHBondContact O-N 2.82Å; Y230-V278 HydrophobicContact CD1-CB 4.4Å; Y230-V278 HydrophobicContact CD1-CG1 3.72Å; Y230-V278 HydrophobicContact CD1-CG2 3.74Å; Y230-V278 HydrophobicContact CD2-CG1 3.95Å; Y230-V278 HydrophobicContact CD2-CG2 4.49Å; Y230-V278 HydrophobicContact CE1-CG1 3.61Å; Y230-V278 HydrophobicContact CE1-CG2 4.43Å; Y230-V278 HydrophobicContact CE2-CG1 3.91Å; Y230-V278 HydrophobicContact CG-CB 4.36Å; Y230-V278 HydrophobicContact CG-CG1 3.89Å; Y230-V278 HydrophobicContact CG-CG2 3.77Å
231	R	77	Confident	79.2	Confident	158 Å²	158	92.1 Å²	92.1	60%	0.596	44%	0.442	S	S	*	.	H	α-helix	trans	-61.1	-42.5	171.1	-80.3	179.9	-176.7	169.7	2	112.4	A227 L233 A234 Q235	A227-R231 WeakPolarHBondContact O-CB 3.49Å; A227-R231 WeakPolarHBondContact O-CG 3.41Å; A227-R231 PolarHBondContact O-N 3.06Å; R231-L233 VanDerWaalsContact C-N 3.31Å; R231-L233 PolarHBondContact O-N 3.38Å; R231-A234 PolarHBondContact O-N 2.05Å; R231-Q235 PolarHBondContact O-N 3.31Å
232	L	75.4	Confident	78.4	Confident	109 Å²	109	90.5 Å²	90.5	57%	0.571	43%	0.432	S	S	*	.	H	α-helix	trans	-64.9	-36.8	175.5	-72.4	164.6	0	0	0	112	A228 F229	A228-L232 WeakPolarHBondContact O-CG 3.46Å; A228-L232 PolarHBondContact O-N 3.41Å; F229-L232 PolarHBondContact O-N 2.78Å
233	L	74.9	Confident	77.7	Confident	34 Å²	34	87.7 Å²	87.7	18%	0.178	42%	0.42	C	S	.	.	H	α-helix	trans	-71.1	-38.1	178.4	-134.7	148.3	0	0	0	111.5	A174 V175 F229 Y230 R231 Q235 R236	A174-L233 HydrophobicContact CB-CD1 4.42Å; A174-L233 HydrophobicContact CB-CD2 4.45Å; A174-L233 VanDerWaalsContact O-CD2 3.23Å; A174-L233 WeakPolarHBondContact O-CD2 3.49Å; V175-L233 HydrophobicContact CG2-CD1 4.06Å; F229-L233 HydrophobicContact CD1-CD1 4.37Å; F229-L233 HydrophobicContact CE1-CD1 3.56Å; F229-L233 HydrophobicContact CE2-CD1 4.29Å; F229-L233 HydrophobicContact CZ-CD1 3.51Å; F229-L233 PolarHBondContact O-N 2.85Å; F229-L233 VanDerWaalsContact O-N 3.15Å; Y230-L233 PolarHBondContact O-N 3.13Å; R231-L233 VanDerWaalsContact C-N 3.31Å; R231-L233 PolarHBondContact O-N 3.38Å; L233-Q235 VanDerWaalsContact C-N 3.33Å; L233-Q235 PolarHBondContact O-N 2.73Å; L233-R236 PolarHBondContact O-N 3.08Å
234	A	71.2	Confident	77.1	Confident	15 Å²	15	84.1 Å²	84.1	12%	0.124	41%	0.405	C	S	.	.	H	α-helix	trans	-63.2	-36	175.8	0	0	0	0	0	112.4	Y230 R231 R236 Q237 H239 P276	Y230-A234 WeakPolarHBondContact O-CB 3.28Å; Y230-A234 PolarHBondContact O-N 2.82Å; R231-A234 PolarHBondContact O-N 2.05Å; A234-R236 PolarHBondContact O-N 3.44Å; A234-R236 VanDerWaalsContact O-N 3.07Å; A234-Q237 PolarHBondContact O-N 2.94Å; A234-H239 VanDerWaalsContact CA-NE2 3.32Å; A234-H239 WeakPolarHBondContact CA-NE2 3.24Å; A234-H239 PolarHBondContact O-NE2 3.2Å; A234-P276 HydrophobicContact CB-CG 3.98Å
235	Q	71.2	Confident	76.9	Confident	159 Å²	159	72.8 Å²	72.8	74%	0.743	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.9	176.1	-72.6	175.5	-5.6	0	0	114.2	R231 L233	R231-Q235 PolarHBondContact O-N 3.31Å; L233-Q235 VanDerWaalsContact C-N 3.33Å; L233-Q235 PolarHBondContact O-N 2.73Å
236	R	70.1	Confident	76.9	Confident	227 Å²	227	71.4 Å²	71.4	86%	0.857	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-2	-176.3	-64	-178.3	178.1	-177.5	-1	114	L233 A234	L233-R236 PolarHBondContact O-N 3.08Å; A234-R236 PolarHBondContact O-N 3.44Å; A234-R236 VanDerWaalsContact O-N 3.07Å
237	Q	70.4	Confident	77.1	Confident	71 Å²	71	69.1 Å²	69.1	33%	0.332	35%	0.353	S	S	.	.	S	Bend	trans	-125.7	149.4	-175.1	-68.7	-172.9	-9.2	0	0	111	A234 H239	A234-Q237 PolarHBondContact O-N 2.94Å; Q237-H239 PolarHBondContact O-CD2 2.81Å; Q237-H239 PolarHBondContact O-NE2 2.9Å; Q237-H239 VanDerWaalsContact O-NE2 3.13Å
238	Q	67.8	Low	77.7	Confident	199 Å²	199	67.1 Å²	67.1	93%	0.93	34%	0.336	S	S	*	.			trans	-83.1	126.4	170.7	-165.2	167.1	10.6	0	0	108.6
239	H	72.4	Confident	78.2	Confident	43 Å²	43	68.6 Å²	68.6	20%	0.199	34%	0.338	C	S	.	.			trans	-109.4	138.8	-175.2	-62.3	-65	0	0	0	110.4	Q199 A234 Q237 F241	Q199-H239 PolarHBondContact NE2-ND1 3.36Å; Q199-H239 VanDerWaalsContact NE2-ND1 3.19Å; Q199-H239 PolarHBondContact OE1-ND1 3.36Å; Q199-H239 VanDerWaalsContact OE1-ND1 3.12Å; A234-H239 VanDerWaalsContact CA-NE2 3.32Å; A234-H239 WeakPolarHBondContact CA-NE2 3.24Å; A234-H239 PolarHBondContact O-NE2 3.2Å; Q237-H239 PolarHBondContact O-CD2 2.81Å; Q237-H239 PolarHBondContact O-NE2 2.9Å; Q237-H239 VanDerWaalsContact O-NE2 3.13Å; H239-F241 HydrophobicContact CB-CD2 4.14Å; H239-F241 HydrophobicContact CB-CE2 3.46Å; H239-F241 VanDerWaalsContact CB-CE2 3.46Å; H239-F241 HydrophobicContact CB-CZ 3.71Å
240	S	75.8	Confident	78.5	Confident	54 Å²	54	64.5 Å²	64.5	38%	0.378	32%	0.322	S	S	.	.			trans	-115.1	106.7	171.3	-177.8	0	0	0	0	107.8	Q199	Q199-S240 WeakPolarHBondContact CB-O 3.41Å; Q199-S240 PolarHBondContact N-O 2.77Å
241	F	80.3	Confident	78.9	Confident	13 Å²	13	64.8 Å²	64.8	6%	0.057	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	133.1	178.2	-58.8	-85.6	0	0	0	110.9	Q199 C201 H239 Y263 R270 C271 P276	Q199-F241 HydrophobicContact CB-CD1 4.13Å; Q199-F241 HydrophobicContact CB-CE1 4.43Å; Q199-F241 VanDerWaalsContact O-CA 3.31Å; Q199-F241 WeakPolarHBondContact O-CA 3.47Å; C201-F241 HydrophobicContact CB-CD1 4.16Å; C201-F241 HydrophobicContact CB-CE1 4.48Å; H239-F241 HydrophobicContact CB-CD2 4.14Å; H239-F241 HydrophobicContact CB-CE2 3.46Å; H239-F241 VanDerWaalsContact CB-CE2 3.46Å; H239-F241 HydrophobicContact CB-CZ 3.71Å; F241-Y263 HydrophobicContact CB-CD2 4.36Å; F241-Y263 HydrophobicContact CB-CE2 3.82Å; F241-R270 HydrophobicContact CB-CB 4.25Å; F241-R270 HydrophobicContact CD2-CB 4.04Å; F241-C271 HydrophobicContact CD1-CB 4.11Å; F241-C271 HydrophobicContact CD2-CB 3.74Å; F241-C271 HydrophobicContact CE1-CB 4.04Å; F241-C271 HydrophobicContact CE2-CB 3.69Å; F241-C271 HydrophobicContact CG-CB 3.95Å; F241-C271 HydrophobicContact CZ-CB 3.84Å; F241-P276 HydrophobicContact CE1-CB 4.22Å
242	G	75.6	Confident	79.4	Confident	11 Å²	11	58.4 Å²	58.4	11%	0.113	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-25.6	175	0	0	0	0	0	113.1	Q199	Q199-G242 PolarHBondContact O-N 2.88Å
243	L	80	Confident	79.8	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	128.4	-179.4	-85.4	166	0	0	0	111.3	V166 V191 V200 C201 V246 L260 F262 Y263	V166-L243 HydrophobicContact CG2-CD1 3.92Å; V191-L243 HydrophobicContact CB-CD1 4.28Å; V191-L243 HydrophobicContact CG1-CD1 3.84Å; V191-L243 HydrophobicContact CG2-CD1 3.67Å; V191-L243 HydrophobicContact CG2-CG 4.29Å; V200-L243 HydrophobicContact CB-CB 4.45Å; V200-L243 HydrophobicContact CG1-CB 3.93Å; V200-L243 HydrophobicContact CG1-CD1 4.45Å; V200-L243 HydrophobicContact CG2-CB 4.32Å; V200-L243 HydrophobicContact CG2-CD1 3.96Å; C201-L243 WeakPolarHBondContact CB-O 3.48Å; C201-L243 PolarHBondContact N-O 3.18Å; C201-L243 VanDerWaalsContact N-O 3.15Å; L243-V246 HydrophobicContact CD1-CG2 4.21Å; L243-L260 HydrophobicContact CD2-CB 4.16Å; L243-L260 HydrophobicContact CD2-CD2 4.3Å; L243-F262 HydrophobicContact CD2-CD1 3.4Å; L243-F262 VanDerWaalsContact CD2-CD1 3.4Å; L243-F262 HydrophobicContact CD2-CE1 3.21Å; L243-F262 HydrophobicContact CD2-CE2 4.47Å; L243-F262 HydrophobicContact CD2-CG 4.15Å; L243-F262 HydrophobicContact CD2-CZ 3.81Å; L243-F262 HydrophobicContact CG-CD1 4.08Å; L243-F262 HydrophobicContact CG-CE1 3.9Å; L243-Y263 VanDerWaalsContact C-CE2 3.43Å; L243-Y263 WeakPolarHBondContact O-CE2 3.13Å
244	H	80.2	Confident	80.2	Confident	52 Å²	52	54.1 Å²	54.1	24%	0.241	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	-47.9	177.9	-176.3	71	0	0	0	112.4	C201 E261 Y263	C201-H244 WeakPolarHBondContact CB-O 3.26Å; H244-E261 WeakPolarHBondContact CA-O 3.07Å; H244-E261 HydrophobicContact CB-CB 4.23Å; H244-E261 WeakPolarHBondContact CB-O 3.46Å; H244-E261 IonicContact CD2-OE2 3.25Å; H244-E261 PolarHBondContact CD2-OE2 3.33Å; H244-E261 PolarHBondContact N-O 3.13Å; H244-Y263 HydrophobicContact CB-CD1 4.25Å; H244-Y263 HydrophobicContact CB-CD2 4.04Å; H244-Y263 HydrophobicContact CB-CE1 4.01Å; H244-Y263 HydrophobicContact CB-CE2 3.78Å; H244-Y263 HydrophobicContact CB-CG 4.24Å; H244-Y263 AromaticContact CG-CE1 3.93Å; H244-Y263 AromaticContact CG-CZ 3.86Å; H244-Y263 AromaticContact ND1-CD1 3.99Å; H244-Y263 AromaticContact ND1-CE1 3.13Å; H244-Y263 WeakPolarHBondContact ND1-CE1 3.47Å; H244-Y263 AromaticContact ND1-CZ 3.19Å; H244-Y263 PolarHBondContact ND1-OH 3.05Å
245	G	82.3	Confident	80.8	Confident	11 Å²	11	53.4 Å²	53.4	11%	0.113	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	142	-175.2	0	0	0	0	0	110.9	E261	G245-E261 PolarHBondContact N-O 2.64Å; G245-E261 VanDerWaalsContact N-O 3.15Å; G245-E261 PolarHBondContact O-N 3.23Å
246	V	87.8	Confident	81.2	Confident	7 Å²	7	48.4 Å²	48.4	4%	0.042	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	125.9	172.8	178.7	0	0	0	0	107	V200 W205 N209 L243 L255 C258 L260	V200-V246 HydrophobicContact CG1-CG2 3.71Å; W205-V246 HydrophobicContact CE3-CB 4.33Å; W205-V246 HydrophobicContact CZ3-CB 3.87Å; W205-V246 HydrophobicContact CZ3-CG1 4.21Å; W205-V246 HydrophobicContact CZ3-CG2 4.02Å; N209-V246 PolarHBondContact ND2-O 2.88Å; L243-V246 HydrophobicContact CD1-CG2 4.21Å; V246-L255 HydrophobicContact CG1-CD2 3.82Å; V246-C258 HydrophobicContact CG1-CB 4.43Å; V246-L260 HydrophobicContact CB-CD2 4.25Å; V246-L260 HydrophobicContact CG1-CD2 3.93Å; V246-L260 HydrophobicContact CG2-CD2 3.78Å
247	A	88.9	Confident	81.7	Confident	59 Å²	59	41.3 Å²	41.3	49%	0.488	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	104.9	175.8	0	0	0	0	0	110.2	C258 S259	A247-C258 WeakPolarHBondContact O-CB 3.21Å; A247-S259 PolarHBondContact N-O 3.12Å; A247-S259 PolarHBondContact O-N 2.69Å
248	C	89.6	Confident	82.3	Confident	13 Å²	13	38.5 Å²	38.5	9%	0.088	22%	0.223	C	C	.	.			trans	-105.1	151.6	175.3	-56.1	0	0	0	0	111.2	H208 N209 V212 C258	H208-C248 WeakPolarHBondContact CB-O 3.46Å; N209-C248 PolarHBondContact OD1-N 3.33Å; V212-C248 HydrophobicContact CG2-CB 3.79Å; C248-C258 HydrophobicContact CB-CB 3.98Å; C248-C258 WeakPolarHBondContact CB-SG 3.35Å; C248-C258 WeakPolarHBondContact SG-CB 3.47Å; C248-C258 CovalentContact SG-SG 2.04Å; C248-C258 PolarHBondContact SG-SG 3.3Å
249	V	90.2	Very high	83.1	Confident	92 Å²	92	32.7 Å²	32.7	56%	0.558	21%	0.205	S	C	*	.			trans	-79	-27.2	169.9	-177.7	0	0	0	0	111.1	H208 E252	H208-V249 PolarHBondContact CD2-O 3.16Å; V249-E252 WeakPolarHBondContact CB-OE1 3.48Å; V249-E252 PolarHBondContact N-OE1 3.11Å; V249-E252 PolarHBondContact N-OE2 2.78Å
250	G	87.9	Confident	83.6	Confident	8 Å²	8	32.5 Å²	32.5	8%	0.082	21%	0.205	C	C	.	.	S	Bend	trans	100.9	4.4	178.9	0	0	0	0	0	114.5	H211 E252	H211-G250 PolarHBondContact CD2-O 2.85Å; G250-E252 WeakPolarHBondContact CA-OE2 3.36Å; G250-E252 PolarHBondContact N-OE2 3.36Å
251	T	87.7	Confident	83.9	Confident	26 Å²	26	35.1 Å²	35.1	16%	0.16	21%	0.211	C	C	.	.			trans	-111.2	-5	175.7	57.2	0	0	0	0	112.7	H339 S377 Q379	T251-H339 PolarHBondContact O-CE1 2.83Å; T251-H339 PolarHBondContact O-ND1 2.97Å; T251-S377 WeakPolarHBondContact CG2-O 3.13Å; T251-Q379 HydrophobicContact CG2-CG 3.55Å
252	E	87.6	Confident	83.8	Confident	24 Å²	24	36.6 Å²	36.6	11%	0.112	22%	0.218	C	C	.	.			trans	-66.6	136	177.2	-60.1	91.2	154.3	0	0	110.9	V212 V249 G250 H254 L257	V212-E252 HydrophobicContact CG1-CB 4.39Å; V212-E252 HydrophobicContact CG2-CB 4.09Å; V249-E252 WeakPolarHBondContact CB-OE1 3.48Å; V249-E252 PolarHBondContact N-OE1 3.11Å; V249-E252 PolarHBondContact N-OE2 2.78Å; G250-E252 WeakPolarHBondContact CA-OE2 3.36Å; G250-E252 PolarHBondContact N-OE2 3.36Å; E252-H254 VanDerWaalsContact C-N 3.31Å; E252-L257 HydrophobicContact CB-CB 4.01Å; E252-L257 HydrophobicContact CG-CB 3.9Å
253	A	82.9	Confident	83.7	Confident	6 Å²	6	37.3 Å²	37.3	5%	0.05	22%	0.217	C	C	.	.	S	Bend	trans	-77.4	-20.3	175.8	0	0	0	0	0	113.2	M216 L338 S352 A353	M216-A253 WeakPolarHBondContact CG-O 3.38Å; A253-L338 HydrophobicContact CB-CD2 3.47Å; A253-L338 VanDerWaalsContact CB-CD2 3.47Å; A253-L338 HydrophobicContact CB-CG 3.81Å; A253-S352 PolarHBondContact O-OG 2.04Å; A253-A353 WeakPolarHBondContact CB-O 3.26Å
254	H	83.4	Confident	83	Confident	46 Å²	46	47 Å²	47	21%	0.213	25%	0.254	C	S	.	.	S	Bend	trans	-146.6	146.9	-174	-164.9	-94.2	0	0	0	112	V166 M216 E252 S256 L257	V166-H254 PolarHBondContact O-CE1 3.18Å; M216-H254 WeakPolarHBondContact CE-CD2 3.45Å; M216-H254 WeakPolarHBondContact CE-NE2 3.37Å; M216-H254 HydrophobicContact SD-CB 4.48Å; E252-H254 VanDerWaalsContact C-N 3.31Å; H254-S256 VanDerWaalsContact ND1-CB 3.34Å; H254-S256 WeakPolarHBondContact ND1-CB 3.46Å; H254-S256 PolarHBondContact ND1-N 3.17Å; H254-S256 VanDerWaalsContact ND1-N 3.12Å; H254-S256 PolarHBondContact ND1-OG 2.87Å; H254-S256 PolarHBondContact O-N 2.79Å; H254-L257 WeakPolarHBondContact O-CB 3.36Å; H254-L257 PolarHBondContact O-N 3.08Å
255	L	84	Confident	82	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-60.9	-27.4	179.9	-84.6	-173.5	0	0	0	113.5	V169 V191 V212 V213 M216 V246 L257 C258	V169-L255 HydrophobicContact CG2-CD1 3.78Å; V169-L255 HydrophobicContact CG2-CG 4.5Å; V191-L255 HydrophobicContact CG1-CD1 4.28Å; V212-L255 HydrophobicContact CG1-CD2 4.01Å; V212-L255 HydrophobicContact CG1-CG 4.37Å; V213-L255 HydrophobicContact CG2-CD1 3.94Å; V213-L255 HydrophobicContact CG2-CD2 4.01Å; V213-L255 HydrophobicContact CG2-CG 4.14Å; M216-L255 HydrophobicContact SD-CB 3.9Å; M216-L255 HydrophobicContact SD-CG 3.71Å; M216-L255 PolarHBondContact SD-N 3.09Å; V246-L255 HydrophobicContact CG1-CD2 3.82Å; L255-L257 PolarHBondContact O-N 3.12Å; L255-C258 VanDerWaalsContact O-CB 3.31Å; L255-C258 WeakPolarHBondContact O-CB 3.35Å; L255-C258 PolarHBondContact O-N 3.28Å
256	S	80.5	Confident	80.7	Confident	54 Å²	54	56.3 Å²	56.3	38%	0.378	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-66.1	-16.2	176.3	64.8	0	0	0	0	113.5	H254	H254-S256 VanDerWaalsContact ND1-CB 3.34Å; H254-S256 WeakPolarHBondContact ND1-CB 3.46Å; H254-S256 PolarHBondContact ND1-N 3.17Å; H254-S256 VanDerWaalsContact ND1-N 3.12Å; H254-S256 PolarHBondContact ND1-OG 2.87Å; H254-S256 PolarHBondContact O-N 2.79Å
257	L	79.6	Confident	79.5	Confident	79 Å²	79	59.5 Å²	59.5	41%	0.414	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-88.9	-9.1	174.4	-58.5	173.1	0	0	0	112	F49 E252 H254 L255	F49-L257 HydrophobicContact CD1-CD2 4.18Å; F49-L257 HydrophobicContact CE1-CD1 4.24Å; F49-L257 HydrophobicContact CE1-CD2 4.21Å; E252-L257 HydrophobicContact CB-CB 4.01Å; E252-L257 HydrophobicContact CG-CB 3.9Å; H254-L257 WeakPolarHBondContact O-CB 3.36Å; H254-L257 PolarHBondContact O-N 3.08Å; L255-L257 PolarHBondContact O-N 3.12Å
258	C	83.2	Confident	77.9	Confident	11 Å²	11	63.9 Å²	63.9	7%	0.074	36%	0.356	C	S	.	.	S	Bend	trans	-83.3	163.6	173.3	-54.9	0	0	0	0	111	V246 A247 C248 L255 L260	V246-C258 HydrophobicContact CG1-CB 4.43Å; A247-C258 WeakPolarHBondContact O-CB 3.21Å; C248-C258 HydrophobicContact CB-CB 3.98Å; C248-C258 WeakPolarHBondContact CB-SG 3.35Å; C248-C258 WeakPolarHBondContact SG-CB 3.47Å; C248-C258 CovalentContact SG-SG 2.04Å; C248-C258 PolarHBondContact SG-SG 3.3Å; L255-C258 VanDerWaalsContact O-CB 3.31Å; L255-C258 WeakPolarHBondContact O-CB 3.35Å; L255-C258 PolarHBondContact O-N 3.28Å; C258-L260 HydrophobicContact CB-CD2 4.5Å; C258-L260 PolarHBondContact O-N 3.36Å
259	S	84.8	Confident	76.6	Confident	78 Å²	78	65.8 Å²	65.8	55%	0.545	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	116.1	169.2	-172.6	0	0	0	0	109.4	A247	A247-S259 PolarHBondContact N-O 3.12Å; A247-S259 PolarHBondContact O-N 2.69Å
260	L	83.9	Confident	75.7	Confident	39 Å²	39	68.4 Å²	68.4	20%	0.204	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	129.8	-177.5	-59.9	179.7	0	0	0	110.8	V166 L243 V246 C258 F262	V166-L260 HydrophobicContact CG2-CD1 3.96Å; L243-L260 HydrophobicContact CD2-CB 4.16Å; L243-L260 HydrophobicContact CD2-CD2 4.3Å; V246-L260 HydrophobicContact CB-CD2 4.25Å; V246-L260 HydrophobicContact CG1-CD2 3.93Å; V246-L260 HydrophobicContact CG2-CD2 3.78Å; C258-L260 HydrophobicContact CB-CD2 4.5Å; C258-L260 PolarHBondContact O-N 3.36Å; L260-F262 HydrophobicContact CB-CE2 3.88Å; L260-F262 HydrophobicContact CB-CZ 4.04Å; L260-F262 HydrophobicContact CD1-CE2 4.45Å; L260-F262 HydrophobicContact CD1-CZ 3.94Å
261	E	81.4	Confident	75.1	Confident	108 Å²	108	68.5 Å²	68.5	51%	0.505	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	120.5	172.7	-64.8	-179.4	177	0	0	109.1	H244 G245	H244-E261 WeakPolarHBondContact CA-O 3.07Å; H244-E261 HydrophobicContact CB-CB 4.23Å; H244-E261 WeakPolarHBondContact CB-O 3.46Å; H244-E261 IonicContact CD2-OE2 3.25Å; H244-E261 PolarHBondContact CD2-OE2 3.33Å; H244-E261 PolarHBondContact N-O 3.13Å; G245-E261 PolarHBondContact N-O 2.64Å; G245-E261 VanDerWaalsContact N-O 3.15Å; G245-E261 PolarHBondContact O-N 3.23Å
262	F	77.6	Confident	74.4	Confident	44 Å²	44	70.7 Å²	70.7	19%	0.193	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	149.9	179.5	-62.5	-81.5	0	0	0	111.7	L164 L193 L243 L260	L164-F262 HydrophobicContact CB-CB 4.44Å; L164-F262 HydrophobicContact CB-CD1 3.51Å; L164-F262 HydrophobicContact CB-CD2 3.68Å; L164-F262 HydrophobicContact CB-CE1 3.48Å; L164-F262 VanDerWaalsContact CB-CE1 3.48Å; L164-F262 HydrophobicContact CB-CE2 3.67Å; L164-F262 HydrophobicContact CB-CG 3.6Å; L164-F262 HydrophobicContact CB-CZ 3.57Å; L164-F262 HydrophobicContact CD1-CB 3.7Å; L164-F262 HydrophobicContact CD1-CD1 4.26Å; L164-F262 HydrophobicContact CD1-CD2 4.23Å; L164-F262 HydrophobicContact CD1-CG 3.81Å; L164-F262 HydrophobicContact CD2-CB 4.04Å; L164-F262 HydrophobicContact CD2-CD1 3.38Å; L164-F262 HydrophobicContact CD2-CE1 3.97Å; L164-F262 HydrophobicContact CD2-CG 3.81Å; L164-F262 HydrophobicContact CG-CB 4.24Å; L164-F262 HydrophobicContact CG-CD1 3.86Å; L164-F262 HydrophobicContact CG-CD2 4.39Å; L164-F262 HydrophobicContact CG-CE1 4.28Å; L164-F262 HydrophobicContact CG-CG 3.9Å; L164-F262 VanDerWaalsContact O-CE2 3.25Å; L164-F262 WeakPolarHBondContact O-CE2 3.26Å; L164-F262 WeakPolarHBondContact O-CZ 3.34Å; L193-F262 HydrophobicContact CD2-CE1 4.06Å; L243-F262 HydrophobicContact CD2-CD1 3.4Å; L243-F262 VanDerWaalsContact CD2-CD1 3.4Å; L243-F262 HydrophobicContact CD2-CE1 3.21Å; L243-F262 HydrophobicContact CD2-CE2 4.47Å; L243-F262 HydrophobicContact CD2-CG 4.15Å; L243-F262 HydrophobicContact CD2-CZ 3.81Å; L243-F262 HydrophobicContact CG-CD1 4.08Å; L243-F262 HydrophobicContact CG-CE1 3.9Å; L260-F262 HydrophobicContact CB-CE2 3.88Å; L260-F262 HydrophobicContact CB-CZ 4.04Å; L260-F262 HydrophobicContact CD1-CE2 4.45Å; L260-F262 HydrophobicContact CD1-CZ 3.94Å
263	Y	73.3	Confident	73.6	Confident	27 Å²	27	74 Å²	74	11%	0.106	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-69.8	138.5	173.3	-75.7	-78.1	0	0	0	110.7	F241 L243 H244 D267 C271	F241-Y263 HydrophobicContact CB-CD2 4.36Å; F241-Y263 HydrophobicContact CB-CE2 3.82Å; L243-Y263 VanDerWaalsContact C-CE2 3.43Å; L243-Y263 WeakPolarHBondContact O-CE2 3.13Å; H244-Y263 HydrophobicContact CB-CD1 4.25Å; H244-Y263 HydrophobicContact CB-CD2 4.04Å; H244-Y263 HydrophobicContact CB-CE1 4.01Å; H244-Y263 HydrophobicContact CB-CE2 3.78Å; H244-Y263 HydrophobicContact CB-CG 4.24Å; H244-Y263 AromaticContact CG-CE1 3.93Å; H244-Y263 AromaticContact CG-CZ 3.86Å; H244-Y263 AromaticContact ND1-CD1 3.99Å; H244-Y263 AromaticContact ND1-CE1 3.13Å; H244-Y263 WeakPolarHBondContact ND1-CE1 3.47Å; H244-Y263 AromaticContact ND1-CZ 3.19Å; H244-Y263 PolarHBondContact ND1-OH 3.05Å; Y263-D267 HydrophobicContact CD1-CB 4.2Å; Y263-D267 WeakPolarHBondContact CD1-OD2 3.39Å; Y263-C271 WeakPolarHBondContact OH-CA 2.97Å; Y263-C271 WeakPolarHBondContact OH-CB 3.45Å; Y263-C271 PolarHBondContact OH-N 3.21Å
264	R	65.1	Low	73.2	Confident	202 Å²	202	75 Å²	75	76%	0.762	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-84.6	153.2	175.1	-66.6	-178.3	179.3	173	0.2	109.6	N266 D267	R264-N266 PolarHBondContact O-N 3.42Å; R264-D267 PolarHBondContact N-OD2 3.34Å; R264-D267 PolarHBondContact O-N 2.75Å
265	A	59.8	Low	73.3	Confident	109 Å²	109	73.4 Å²	73.4	90%	0.901	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-21.8	-179.9	0	0	0	0	0	114.3
266	N	55.4	Low	73.4	Confident	151 Å²	151	73.8 Å²	73.8	81%	0.807	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	3.8	-178.5	-70.3	-4.1	0	0	0	114.6	R264 T268	R264-N266 PolarHBondContact O-N 3.42Å; N266-T268 PolarHBondContact O-N 3.12Å
267	D	61.5	Low	73.9	Confident	74 Å²	74	71.2 Å²	71.2	40%	0.396	42%	0.418	S	S	.	.			trans	-75.3	113.2	-178.7	-72.2	-31.1	0	0	0	111.5	Y263 R264 A269	Y263-D267 HydrophobicContact CD1-CB 4.2Å; Y263-D267 WeakPolarHBondContact CD1-OD2 3.39Å; R264-D267 PolarHBondContact N-OD2 3.34Å; R264-D267 PolarHBondContact O-N 2.75Å; D267-A269 VanDerWaalsContact C-N 3.32Å; D267-A269 PolarHBondContact O-N 3Å
268	T	56.8	Low	74.5	Confident	150 Å²	150	68.4 Å²	68.4	92%	0.92	40%	0.404	S	S	*	.	S	Bend	trans	-75.5	-17.8	-177.5	53.9	0	0	0	0	113.8	N266	N266-T268 PolarHBondContact O-N 3.12Å
269	A	61	Low	74.9	Confident	53 Å²	53	67.9 Å²	67.9	44%	0.438	40%	0.4	S	S	.	.	S	Bend	trans	-134.2	113.3	175.8	0	0	0	0	0	110.8	D267 C271	D267-A269 VanDerWaalsContact C-N 3.32Å; D267-A269 PolarHBondContact O-N 3Å; A269-C271 PolarHBondContact O-N 2.99Å
270	R	71.9	Confident	75.3	Confident	148 Å²	148	64.7 Å²	64.7	56%	0.558	38%	0.378	S	S	*	.	S	Bend	trans	-80.8	115.5	173.1	-65.5	-174.8	179.2	-171.3	-0.2	108.9	F241	F241-R270 HydrophobicContact CB-CB 4.25Å; F241-R270 HydrophobicContact CD2-CB 4.04Å
271	C	75.9	Confident	75.8	Confident	9 Å²	9	63 Å²	63	6%	0.061	37%	0.37	C	S	.	.	S	Bend	trans	63.6	64.1	-179	-160.3	0	0	0	0	116.2	C201 F241 Y263 A269 G273 G274	C201-C271 HydrophobicContact CB-CB 3.83Å; C201-C271 WeakPolarHBondContact CB-SG 3.47Å; C201-C271 WeakPolarHBondContact SG-CB 3.4Å; C201-C271 CovalentContact SG-SG 2.04Å; C201-C271 PolarHBondContact SG-SG 3.47Å; F241-C271 HydrophobicContact CD1-CB 4.11Å; F241-C271 HydrophobicContact CD2-CB 3.74Å; F241-C271 HydrophobicContact CE1-CB 4.04Å; F241-C271 HydrophobicContact CE2-CB 3.69Å; F241-C271 HydrophobicContact CG-CB 3.95Å; F241-C271 HydrophobicContact CZ-CB 3.84Å; Y263-C271 WeakPolarHBondContact OH-CA 2.97Å; Y263-C271 WeakPolarHBondContact OH-CB 3.45Å; Y263-C271 PolarHBondContact OH-N 3.21Å; A269-C271 PolarHBondContact O-N 2.99Å; C271-G273 PolarHBondContact O-N 3.32Å; C271-G274 PolarHBondContact O-N 3.23Å; C271-G274 VanDerWaalsContact SG-C 3.53Å
272	P	71.8	Confident	76.4	Confident	73 Å²	73	59.4 Å²	59.4	47%	0.474	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	114.7	-178.8	26.4	-32.2	0	0	0	112.3	G274	P272-G274 VanDerWaalsContact C-N 3.29Å; P272-G274 PolarHBondContact O-N 3.17Å
273	G	71.4	Confident	77.1	Confident	93 Å²	93	58.6 Å²	58.6	96%	0.959	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	1.4	178.7	0	0	0	0	0	115.3	C271	C271-G273 PolarHBondContact O-N 3.32Å
274	G	75.4	Confident	77.8	Confident	27 Å²	27	57.6 Å²	57.6	28%	0.278	35%	0.352	S	S	.	.			trans	-110.8	171.8	174.9	0	0	0	0	0	112.6	D202 C271 P272	D202-G274 WeakPolarHBondContact OD1-CA 2.91Å; C271-G274 PolarHBondContact O-N 3.23Å; C271-G274 VanDerWaalsContact SG-C 3.53Å; P272-G274 VanDerWaalsContact C-N 3.29Å; P272-G274 PolarHBondContact O-N 3.17Å
275	G	84.4	Confident	78.9	Confident	13 Å²	13	52 Å²	52	13%	0.134	34%	0.342	C	S	.	.			trans	-121.1	-172.6	172.6	0	0	0	0	0	112.1	D202	D202-G275 WeakPolarHBondContact CB-O 3.34Å; D202-G275 VanDerWaalsContact CG-N 3.31Å; D202-G275 VanDerWaalsContact CG-O 3.32Å; D202-G275 PolarHBondContact N-O 2.66Å; D202-G275 PolarHBondContact OD1-N 2.78Å
276	P	87.3	Confident	80.1	Confident	7 Å²	7	51.6 Å²	51.6	5%	0.045	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-69.6	137.2	171.7	30.3	-35	0	0	0	111.9	L188 V200 A234 F241 V278	L188-P276 HydrophobicContact CD2-CB 3.51Å; L188-P276 HydrophobicContact CD2-CG 3.31Å; V200-P276 WeakPolarHBondContact O-CA 3.08Å; A234-P276 HydrophobicContact CB-CG 3.98Å; F241-P276 HydrophobicContact CE1-CB 4.22Å; P276-V278 WeakPolarHBondContact O-CG2 3.43Å
277	A	90.5	Very high	81.5	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	29%	0.288	C	S	.	.			trans	-62.5	139.1	173.1	0	0	0	0	0	110.4	L188 V189 V200 D202 W205	L188-A277 WeakPolarHBondContact CA-O 3.23Å; V189-A277 HydrophobicContact CB-CB 4.41Å; V189-A277 HydrophobicContact CG2-CB 4.44Å; V189-A277 PolarHBondContact N-O 2.88Å; V200-A277 HydrophobicContact CB-CB 4.09Å; V200-A277 HydrophobicContact CG1-CB 4.43Å; V200-A277 PolarHBondContact O-N 2.86Å; D202-A277 HydrophobicContact CB-CB 4.49Å; W205-A277 HydrophobicContact CD2-CB 3.72Å; W205-A277 HydrophobicContact CE3-CB 3.74Å; W205-A277 HydrophobicContact CG-CB 4.26Å; W205-A277 HydrophobicContact CH2-CB 4.32Å; W205-A277 HydrophobicContact CZ2-CB 4.31Å; W205-A277 HydrophobicContact CZ3-CB 4.06Å
278	V	91.1	Very high	82.3	Confident	20 Å²	20	43.5 Å²	43.5	12%	0.121	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	136.2	-177	-169.4	0	0	0	0	109	G187 L188 V225 Y230 P276	G187-V278 WeakPolarHBondContact O-CA 3.46Å; G187-V278 VanDerWaalsContact O-CG1 3.26Å; G187-V278 WeakPolarHBondContact O-CG1 3.41Å; L188-V278 HydrophobicContact CD2-CG2 4.08Å; V225-V278 HydrophobicContact CG1-CB 4.08Å; V225-V278 HydrophobicContact CG1-CG1 3.62Å; V225-V278 HydrophobicContact CG2-CG1 4.23Å; Y230-V278 HydrophobicContact CD1-CB 4.4Å; Y230-V278 HydrophobicContact CD1-CG1 3.72Å; Y230-V278 HydrophobicContact CD1-CG2 3.74Å; Y230-V278 HydrophobicContact CD2-CG1 3.95Å; Y230-V278 HydrophobicContact CD2-CG2 4.49Å; Y230-V278 HydrophobicContact CE1-CG1 3.61Å; Y230-V278 HydrophobicContact CE1-CG2 4.43Å; Y230-V278 HydrophobicContact CE2-CG1 3.91Å; Y230-V278 HydrophobicContact CG-CB 4.36Å; Y230-V278 HydrophobicContact CG-CG1 3.89Å; Y230-V278 HydrophobicContact CG-CG2 3.77Å; P276-V278 WeakPolarHBondContact O-CG2 3.43Å
279	V	93.1	Very high	82.3	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	149.8	176.5	-64	0	0	0	0	110.2	I171 E186 G187 V189 W205 V213	I171-V279 HydrophobicContact CD1-CG2 3.66Å; I171-V279 HydrophobicContact CG1-CG2 3.71Å; E186-V279 WeakPolarHBondContact CA-O 3.49Å; E186-V279 WeakPolarHBondContact CG-O 3.32Å; G187-V279 PolarHBondContact N-O 3.33Å; G187-V279 VanDerWaalsContact N-O 3.08Å; G187-V279 PolarHBondContact O-N 3.44Å; G187-V279 VanDerWaalsContact O-N 3.09Å; V189-V279 HydrophobicContact CG2-CB 4.2Å; V189-V279 HydrophobicContact CG2-CG1 3.56Å; V189-V279 HydrophobicContact CG2-CG2 3.71Å; W205-V279 HydrophobicContact CZ2-CG1 3.97Å; V213-V279 HydrophobicContact CB-CG1 4.35Å; V213-V279 HydrophobicContact CG1-CG1 4.17Å; V213-V279 HydrophobicContact CG1-CG2 4.09Å
280	S	93.2	Very high	81.9	Confident	12 Å²	12	41.3 Å²	41.3	8%	0.084	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	112.6	170.2	-171.9	0	0	0	0	107.2	T185 E186 E222 K223	T185-S280 CarbonylContact O-C 3.57Å; T185-S280 WeakPolarHBondContact O-CA 3.43Å; E186-S280 VanDerWaalsContact OE2-CB 3.25Å; E186-S280 WeakPolarHBondContact OE2-CB 3.12Å; E186-S280 PolarHBondContact OE2-OG 2.05Å; E222-S280 CarbonylContact C-O 3.28Å; E222-S280 WeakPolarHBondContact CA-O 3.07Å; K223-S280 PolarHBondContact N-O 3.38Å
281	C	94.1	Very high	80.6	Confident	4 Å²	4	37 Å²	37	3%	0.027	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	150.5	-174.6	-53.9	0	0	0	0	111.1	T185 C214 F219	T185-C281 WeakPolarHBondContact CB-O 3.46Å; T185-C281 PolarHBondContact O-N 3.48Å; C214-C281 WeakPolarHBondContact CA-SG 3.06Å; C214-C281 HydrophobicContact CB-CB 3.82Å; C214-C281 WeakPolarHBondContact CB-SG 3.45Å; C214-C281 WeakPolarHBondContact SG-CA 3.45Å; C214-C281 WeakPolarHBondContact SG-CB 3.15Å; C214-C281 CovalentContact SG-SG 2.05Å; C214-C281 PolarHBondContact SG-SG 2.87Å; F219-C281 HydrophobicContact CB-CB 3.63Å; F219-C281 HydrophobicContact CD1-CB 3.99Å; F219-C281 HydrophobicContact CD2-CB 3.42Å; F219-C281 VanDerWaalsContact CD2-CB 3.42Å; F219-C281 HydrophobicContact CE2-CB 4.01Å; F219-C281 HydrophobicContact CG-CB 3.41Å; F219-C281 VanDerWaalsContact CG-CB 3.41Å
282	V	93.3	Very high	78.8	Confident	31 Å²	31	40.7 Å²	40.7	19%	0.188	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	118.1	179.9	-171.7	0	0	0	0	109	P220 S221 K223	P220-V282 WeakPolarHBondContact CD-O 3.21Å; S221-V282 PolarHBondContact O-N 3.24Å; S221-V282 WeakPolarHBondContact OG-CB 3.22Å; K223-V282 HydrophobicContact CB-CG2 4.47Å; K223-V282 HydrophobicContact CD-CG2 3.65Å; K223-V282 VanDerWaalsContact CE-CG2 3.43Å; K223-V282 HydrophobicContact CG-CG2 3.53Å
283	P	92	Very high	77.1	Confident	28 Å²	28	44.9 Å²	44.9	18%	0.182	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-64.9	138.4	173.6	27.3	-32.4	0	0	0	110.9	T185 F219 A288	T185-P283 HydrophobicContact CG2-CG 4.29Å; F219-P283 HydrophobicContact CD1-CB 4.39Å; F219-P283 HydrophobicContact CE1-CB 4.27Å; P283-A288 HydrophobicContact CG-CB 4.45Å
284	G	89.8	Confident	75.5	Confident	5 Å²	5	50.9 Å²	50.9	5%	0.052	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-66	171.3	169.7	0	0	0	0	0	112.5	L286 Y287 A288 G349	G284-L286 VanDerWaalsContact C-N 3.27Å; G284-L286 PolarHBondContact O-N 3.15Å; G284-L286 VanDerWaalsContact O-N 3.17Å; G284-Y287 CarbonylContact O-C 3.54Å; G284-Y287 PolarHBondContact O-N 3.35Å; G284-A288 PolarHBondContact O-N 3.4Å; G284-G349 WeakPolarHBondContact CA-O 3.26Å
285	P	87.8	Confident	73.6	Confident	85 Å²	85	58.1 Å²	58.1	55%	0.552	35%	0.348	S	S	*	.	H	α-helix	trans	-53.6	-40	-174.7	-26.9	35.2	0	0	0	114	Y287	P285-Y287 VanDerWaalsContact C-N 3.26Å; P285-Y287 PolarHBondContact O-N 3.21Å
286	L	83.9	Confident	71.4	Confident	100 Å²	100	66.9 Å²	66.9	52%	0.524	39%	0.385	S	S	.	.	H	α-helix	trans	-64.4	-27.1	178.8	-67.5	176	0	0	0	113.5	G284 P315 F350	G284-L286 VanDerWaalsContact C-N 3.27Å; G284-L286 PolarHBondContact O-N 3.15Å; G284-L286 VanDerWaalsContact O-N 3.17Å; L286-P315 HydrophobicContact CD1-CB 4.33Å; L286-F350 HydrophobicContact CD1-CE1 3.74Å; L286-F350 HydrophobicContact CD1-CZ 3.7Å
287	Y	85.1	Confident	69	Low	15 Å²	15	75.5 Å²	75.5	6%	0.059	43%	0.425	C	S	.	.	H	α-helix	trans	-111.4	-4.9	-174.8	-58.7	-76.4	0	0	0	113.5	G284 P285 A289 F350 L408 P409 T411 L497	G284-Y287 CarbonylContact O-C 3.54Å; G284-Y287 PolarHBondContact O-N 3.35Å; P285-Y287 VanDerWaalsContact C-N 3.26Å; P285-Y287 PolarHBondContact O-N 3.21Å; Y287-A289 VanDerWaalsContact C-N 3.34Å; Y287-A289 PolarHBondContact O-N 3.48Å; Y287-F350 HydrophobicContact CE2-CD1 4.09Å; Y287-F350 HydrophobicContact CE2-CE1 4.03Å; Y287-L408 HydrophobicContact CE2-CD2 4.46Å; Y287-P409 HydrophobicContact CD1-CG 3.65Å; Y287-P409 HydrophobicContact CD2-CG 3.49Å; Y287-P409 VanDerWaalsContact CD2-CG 3.49Å; Y287-P409 HydrophobicContact CE1-CG 3.83Å; Y287-P409 HydrophobicContact CE2-CG 3.68Å; Y287-P409 HydrophobicContact CG-CG 3.47Å; Y287-P409 VanDerWaalsContact CG-CG 3.47Å; Y287-T411 HydrophobicContact CD1-CG2 3.78Å; Y287-T411 HydrophobicContact CE1-CG2 3.77Å; Y287-L497 HydrophobicContact CD1-CD1 4.46Å; Y287-L497 HydrophobicContact CE1-CD1 3.86Å
288	A	77.8	Confident	66.3	Low	40 Å²	40	84 Å²	84	33%	0.331	47%	0.465	S	S	.	.	H	α-helix	trans	-69.1	-31.5	-178.7	0	0	0	0	0	113	P283 G284 S290 S291	P283-A288 HydrophobicContact CG-CB 4.45Å; G284-A288 PolarHBondContact O-N 3.4Å; A288-S290 VanDerWaalsContact C-N 3.32Å; A288-S290 PolarHBondContact O-N 2.83Å; A288-S291 PolarHBondContact O-N 3.47Å; A288-S291 PolarHBondContact O-OG 2.85Å
289	A	58.4	Low	63.7	Low	96 Å²	96	88.5 Å²	88.5	79%	0.793	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-16.2	-174.1	0	0	0	0	0	115	Y287 S291	Y287-A289 VanDerWaalsContact C-N 3.34Å; Y287-A289 PolarHBondContact O-N 3.48Å; A289-S291 VanDerWaalsContact C-N 3.3Å
290	S	51.3	Low	60.7	Low	62 Å²	62	97.3 Å²	97.3	43%	0.434	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-15.9	176	84	0	0	0	0	113.1	L182 P183 A288	L182-S290 PolarHBondContact O-OG 2.96Å; P183-S290 VanDerWaalsContact CD-OG 3.24Å; P183-S290 WeakPolarHBondContact CD-OG 3.32Å; A288-S290 VanDerWaalsContact C-N 3.32Å; A288-S290 PolarHBondContact O-N 2.83Å
291	S	44.4	Very low	57.9	Low	56 Å²	56	102.6 Å²	102.6	39%	0.392	57%	0.569	S	S	.	*	S	Bend	trans	-83.3	118.1	171.7	74.8	0	0	0	0	108.2	A288 A289 Q293	A288-S291 PolarHBondContact O-N 3.47Å; A288-S291 PolarHBondContact O-OG 2.85Å; A289-S291 VanDerWaalsContact C-N 3.3Å; S291-Q293 PolarHBondContact O-N 3.21Å
292	G	38.3	Very low	55.7	Low	87 Å²	87	110.2 Å²	110.2	90%	0.897	60%	0.604	S	S	*	*			trans	-64.6	45	-173.2	0	0	0	0	0	116.5
293	Q	36.8	Very low	53.8	Low	161 Å²	161	111.9 Å²	111.9	75%	0.752	63%	0.627	S	S	*	*			trans	-106.1	83	169.3	-66.9	-161.9	-10.4	0	0	109.7	S291 K295	S291-Q293 PolarHBondContact O-N 3.21Å; Q293-K295 PolarHBondContact O-N 3.46Å
294	K	38.2	Very low	52.6	Low	219 Å²	219	115.4 Å²	115.4	95%	0.952	64%	0.641	S	S	*	*			trans	-66.4	76.1	149.2	-80.4	-175.3	177.1	178.7	0	108.1
295	K	35.6	Very low	51.9	Low	180 Å²	180	118.3 Å²	118.3	78%	0.783	67%	0.665	S	S	*	*			trans	-117.5	124.9	154.9	-100.5	-174.4	176.4	-179.6	0	106.7	Q293 Q297	Q293-K295 PolarHBondContact O-N 3.46Å; K295-Q297 VanDerWaalsContact C-N 3.3Å; K295-Q297 PolarHBondContact O-N 3.35Å
296	Q	38.1	Very low	52.1	Low	196 Å²	196	119.7 Å²	119.7	92%	0.916	66%	0.659	S	S	*	*			trans	-43.3	90	172.9	-73.3	164.9	-28.7	0	0	110.8	Q298	Q296-Q298 PolarHBondContact O-N 2.94Å
297	Q	35.8	Very low	52.6	Low	188 Å²	188	115.1 Å²	115.1	88%	0.879	64%	0.635	S	S	*	*			trans	-78	94.9	139.6	-92.9	178.2	-13.5	0	0	104.1	K295 S299	K295-Q297 VanDerWaalsContact C-N 3.3Å; K295-Q297 PolarHBondContact O-N 3.35Å; Q297-S299 PolarHBondContact O-N 3Å
298	Q	33.8	Very low	53.1	Low	180 Å²	180	116.4 Å²	116.4	84%	0.841	64%	0.64	S	S	*	*			trans	-35.3	115.2	151.9	-109.1	167.6	-10.5	0	0	106.8	Q296 K300	Q296-Q298 PolarHBondContact O-N 2.94Å; Q298-K300 PolarHBondContact O-N 3.37Å
299	S	36	Very low	53.9	Low	113 Å²	113	115.9 Å²	115.9	79%	0.79	63%	0.631	S	S	*	*			trans	-49.1	96.5	165.2	39.4	0	0	0	0	107	Q297	Q297-S299 PolarHBondContact O-N 3Å
300	K	30.8	Very low	55.6	Low	186 Å²	186	112.5 Å²	112.5	81%	0.809	60%	0.599	S	S	*	*			trans	-52.6	130.2	151.3	-99.8	-176.7	173.6	-178.2	0	104.1	Q298 Q302	Q298-K300 PolarHBondContact O-N 3.37Å; K300-Q302 VanDerWaalsContact C-N 3.32Å; K300-Q302 PolarHBondContact O-N 2.89Å
301	P	35.3	Very low	57.5	Low	122 Å²	122	109.7 Å²	109.7	79%	0.792	58%	0.58	S	S	*	*			trans	-55.3	108.7	171.8	22.5	-28.5	0	0	0	105	G303	P301-G303 PolarHBondContact O-N 3.44Å
302	Q	46.8	Very low	59.7	Low	165 Å²	165	107.9 Å²	107.9	77%	0.771	57%	0.57	S	S	*	*			trans	-56.1	116.2	167.4	-93.9	178.9	-42	0	0	103.3	K300 E304	K300-Q302 VanDerWaalsContact C-N 3.32Å; K300-Q302 PolarHBondContact O-N 2.89Å; Q302-E304 PolarHBondContact O-N 2.86Å
303	G	54.5	Low	62.1	Low	65 Å²	65	104 Å²	104	67%	0.67	53%	0.529	S	S	*	.			trans	-49.1	144.9	167.4	0	0	0	0	0	107.9	P301 A305	P301-G303 PolarHBondContact O-N 3.44Å; G303-A305 PolarHBondContact O-N 3.43Å
304	E	65	Low	64.4	Low	102 Å²	102	98.5 Å²	98.5	48%	0.477	50%	0.504	S	S	.	.			trans	-39.9	124.6	-179.1	-179.2	172.8	-141.5	0	0	111.7	Q302 R306 L323 S734	Q302-E304 PolarHBondContact O-N 2.86Å; E304-R306 WeakPolarHBondContact O-CG 3.46Å; E304-R306 PolarHBondContact O-N 3.28Å; E304-L323 HydrophobicContact CG-CD2 3.67Å; E304-L323 WeakPolarHBondContact OE1-CD2 3.29Å; E304-S734 WeakPolarHBondContact OE1-CB 3.21Å
305	A	75.9	Confident	66.8	Low	66 Å²	66	90 Å²	90	55%	0.545	47%	0.471	S	S	.	.			trans	-60	122.2	179.3	0	0	0	0	0	108.9	G303 W328	G303-A305 PolarHBondContact O-N 3.43Å; A305-W328 VanDerWaalsContact O-CH2 3.26Å; A305-W328 WeakPolarHBondContact O-CH2 3.43Å
306	R	91.3	Very high	69.4	Low	114 Å²	114	81.6 Å²	81.6	43%	0.43	44%	0.435	S	S	.	.			trans	-95.2	-6.7	-174.9	-60.8	-169.8	65.5	-169.1	-3.9	113.8	E304 V322 L323 W384	E304-R306 WeakPolarHBondContact O-CG 3.46Å; E304-R306 PolarHBondContact O-N 3.28Å; R306-V322 WeakPolarHBondContact O-CA 3.2Å; R306-L323 PolarHBondContact O-N 2.88Å; R306-W384 PolarHBondContact O-NE1 2.94Å
307	V	95.2	Very high	72	Confident	4 Å²	4	73.3 Å²	73.3	2%	0.024	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	141	-179.8	-174.7	0	0	0	0	108.1	V320 E321 V322 V344 E347 L348 L383	V307-V320 HydrophobicContact CG1-CG1 4Å; V307-E321 CarbonylContact C-O 3.59Å; V307-E321 VanDerWaalsContact CA-O 3.31Å; V307-E321 WeakPolarHBondContact CA-O 3.02Å; V307-V322 HydrophobicContact CG1-CG1 4.49Å; V307-V322 HydrophobicContact CG2-CG1 4.15Å; V307-V344 HydrophobicContact CG1-CG1 3.96Å; V307-E347 WeakPolarHBondContact CG2-OE2 3.3Å; V307-L348 WeakPolarHBondContact O-CD2 3.41Å; V307-L383 HydrophobicContact CG2-CB 4.17Å
308	R	95	Very high	74.8	Confident	42 Å²	42	64.3 Å²	64.3	16%	0.158	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	161.6	174.2	72.3	-174.4	-174.3	177	8.6	110.8	K310 E321 W328 D731	R308-K310 HydrophobicContact CG-CG 4.48Å; R308-E321 HydrophobicContact CG-CB 3.82Å; R308-E321 IonicContact CZ-OE2 2.95Å; R308-E321 PolarHBondContact N-O 3.39Å; R308-E321 IonicContact NE-OE2 3.72Å; R308-E321 PolarHBondContact NE-OE2 3.02Å; R308-E321 IonicContact NH2-OE2 3.77Å; R308-E321 PolarHBondContact NH2-OE2 2.84Å; R308-E321 PolarHBondContact O-N 2.63Å; R308-W328 HydrophobicContact CB-CH2 3.95Å; R308-W328 HydrophobicContact CB-CZ3 3.97Å; R308-W328 HydrophobicContact CG-CD2 4.35Å; R308-W328 HydrophobicContact CG-CE3 3.78Å; R308-W328 HydrophobicContact CG-CH2 3.87Å; R308-W328 HydrophobicContact CG-CZ2 4.42Å; R308-W328 HydrophobicContact CG-CZ3 3.52Å; R308-W328 VanDerWaalsContact CZ-CG 3.42Å; R308-W328 VanDerWaalsContact NH1-CD1 3.31Å; R308-D731 IonicContact CZ-OD2 2.77Å; R308-D731 PolarHBondContact NH1-O 2.05Å; R308-D731 IonicContact NH1-OD2 3.31Å; R308-D731 PolarHBondContact NH2-O 3.2Å; R308-D731 VanDerWaalsContact NH2-O 3.15Å; R308-D731 IonicContact NH2-OD2 3.41Å; R308-D731 PolarHBondContact NH2-OD2 2.86Å
309	L	95.5	Very high	77.8	Confident	29 Å²	29	56 Å²	56	15%	0.152	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	134	173.2	-57.9	-179.3	0	0	0	109.9	R319 V320 V344 L348 V404	L309-R319 WeakPolarHBondContact CA-O 3.43Å; L309-V320 HydrophobicContact CD2-CG2 3.94Å; L309-V344 HydrophobicContact CD2-CG1 4.1Å; L309-L348 HydrophobicContact CD1-CD1 3.7Å; L309-L348 HydrophobicContact CD2-CD1 4.09Å; L309-L348 HydrophobicContact CG-CD1 3.54Å; L309-V404 HydrophobicContact CD1-CG2 3.75Å; L309-V404 HydrophobicContact CD2-CG2 3.48Å; L309-V404 VanDerWaalsContact CD2-CG2 3.48Å; L309-V404 HydrophobicContact CG-CG2 4.28Å
310	K	94.3	Very high	80.7	Confident	25 Å²	25	50.6 Å²	50.6	11%	0.109	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	157.7	176.8	-64.5	-49.5	-150.8	85.5	0	112.1	R308 G312 G318 R319 D705 T707 D731	R308-K310 HydrophobicContact CG-CG 4.48Å; K310-G312 VanDerWaalsContact C-N 3.29Å; K310-G312 PolarHBondContact O-N 3.35Å; K310-G318 CarbonylContact O-C 3.52Å; K310-G318 WeakPolarHBondContact O-CA 3.42Å; K310-R319 PolarHBondContact N-O 2.74Å; K310-R319 PolarHBondContact O-N 3.27Å; K310-D705 WeakPolarHBondContact CD-OD2 3.31Å; K310-D705 IonicContact NZ-OD1 3.35Å; K310-D705 IonicContact NZ-OD2 3.86Å; K310-D705 PolarHBondContact NZ-OD2 2.89Å; K310-T707 PolarHBondContact NZ-OG1 3.12Å; K310-D731 IonicContact NZ-OD2 2.99Å; K310-D731 PolarHBondContact NZ-OD2 3.48Å
311	G	90.4	Very high	83.9	Confident	4 Å²	4	42.4 Å²	42.4	4%	0.041	24%	0.242	C	C	.	.	S	Bend	trans	65	26.5	175.4	0	0	0	0	0	115	Y466	G311-Y466 PolarHBondContact O-OH 3.29Å
312	G	90.8	Very high	86.7	Confident	18 Å²	18	36.6 Å²	36.6	19%	0.186	20%	0.204	C	C	.	.			trans	-109	145.8	176.1	0	0	0	0	0	112.4	K310 E317 Y466	K310-G312 VanDerWaalsContact C-N 3.29Å; K310-G312 PolarHBondContact O-N 3.35Å; G312-E317 WeakPolarHBondContact CA-O 3.33Å; G312-Y466 VanDerWaalsContact C-OH 3.23Å; G312-Y466 WeakPolarHBondContact CA-OH 3.43Å
313	A	87.8	Confident	89	Confident	4 Å²	4	29.1 Å²	29.1	3%	0.033	17%	0.17	C	C	.	.	S	Bend	trans	-76.2	-32.8	179.1	0	0	0	0	0	111.3	E317 R460 G465 Y466	A313-E317 WeakPolarHBondContact CA-OE1 3.26Å; A313-E317 VanDerWaalsContact CB-OE1 3.31Å; A313-E317 WeakPolarHBondContact CB-OE1 3.47Å; A313-E317 PolarHBondContact N-OE1 3.07Å; A313-R460 WeakPolarHBondContact O-CD 3.15Å; A313-R460 WeakPolarHBondContact O-CG 3.46Å; A313-R460 PolarHBondContact O-NE 2.92Å; A313-G465 VanDerWaalsContact CB-C 3.48Å; A313-Y466 VanDerWaalsContact CA-CE1 3.41Å; A313-Y466 HydrophobicContact CB-CD1 3.81Å; A313-Y466 HydrophobicContact CB-CD2 4.08Å; A313-Y466 HydrophobicContact CB-CE1 3.62Å; A313-Y466 HydrophobicContact CB-CE2 3.89Å; A313-Y466 HydrophobicContact CB-CG 4.04Å; A313-Y466 VanDerWaalsContact N-CE1 3.31Å; A313-Y466 VanDerWaalsContact N-CZ 3.31Å; A313-Y466 PolarHBondContact N-OH 3.44Å
314	H	87	Confident	90.7	Very high	47 Å²	47	29.3 Å²	29.3	22%	0.218	15%	0.152	C	C	.	.	S	Bend	trans	-106.4	153.7	176.4	-60.7	-78.5	0	0	0	112.4	G316 E317 L408 R460	H314-G316 PolarHBondContact O-N 3.32Å; H314-G316 VanDerWaalsContact O-N 3.13Å; H314-E317 HydrophobicContact CB-CG 3.97Å; H314-E317 IonicContact CD2-OE1 2.71Å; H314-E317 PolarHBondContact CD2-OE1 3.45Å; H314-E317 VanDerWaalsContact CD2-OE1 3.24Å; H314-E317 IonicContact CG-OE1 3.26Å; H314-E317 PolarHBondContact N-OE1 3.18Å; H314-E317 WeakPolarHBondContact O-CG 3.38Å; H314-E317 PolarHBondContact O-N 2.94Å; H314-E317 VanDerWaalsContact O-N 3.1Å; H314-L408 HydrophobicContact CB-CD1 4.3Å; H314-R460 PolarHBondContact CE1-O 3.09Å
315	P	87.4	Confident	91.7	Very high	41 Å²	41	29.1 Å²	29.1	27%	0.266	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-26	-177	-17.4	24.5	0	0	0	115.2	L286 F350 L497	L286-P315 HydrophobicContact CD1-CB 4.33Å; P315-F350 HydrophobicContact CB-CE1 4.35Å; P315-F350 HydrophobicContact CB-CZ 4Å; P315-F350 WeakPolarHBondContact O-CE2 3.4Å; P315-F350 VanDerWaalsContact O-CZ 3.26Å; P315-F350 WeakPolarHBondContact O-CZ 3.19Å; P315-L497 HydrophobicContact CG-CD2 3.27Å
316	G	90.8	Very high	92.3	Very high	2 Å²	2	28.3 Å²	28.3	2%	0.021	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	14.5	179.9	0	0	0	0	0	113.7	H314 C406	H314-G316 PolarHBondContact O-N 3.32Å; H314-G316 VanDerWaalsContact O-N 3.13Å; G316-C406 VanDerWaalsContact O-CB 3.23Å; G316-C406 WeakPolarHBondContact O-CB 3.38Å; G316-C406 PolarHBondContact O-N 2.82Å; G316-C406 PolarHBondContact O-SG 3.22Å
317	E	92.3	Very high	92.4	Very high	22 Å²	22	25.3 Å²	25.3	10%	0.103	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	151.6	176.8	73.7	177.5	174.1	0	0	111.2	G312 A313 H314 M362 V404 R405	G312-E317 WeakPolarHBondContact CA-O 3.33Å; A313-E317 WeakPolarHBondContact CA-OE1 3.26Å; A313-E317 VanDerWaalsContact CB-OE1 3.31Å; A313-E317 WeakPolarHBondContact CB-OE1 3.47Å; A313-E317 PolarHBondContact N-OE1 3.07Å; H314-E317 HydrophobicContact CB-CG 3.97Å; H314-E317 IonicContact CD2-OE1 2.71Å; H314-E317 PolarHBondContact CD2-OE1 3.45Å; H314-E317 VanDerWaalsContact CD2-OE1 3.24Å; H314-E317 IonicContact CG-OE1 3.26Å; H314-E317 PolarHBondContact N-OE1 3.18Å; H314-E317 WeakPolarHBondContact O-CG 3.38Å; H314-E317 PolarHBondContact O-N 2.94Å; H314-E317 VanDerWaalsContact O-N 3.1Å; E317-M362 HydrophobicContact CB-CE 3.46Å; E317-M362 VanDerWaalsContact CB-CE 3.46Å; E317-M362 HydrophobicContact CG-CE 3.67Å; E317-V404 VanDerWaalsContact CA-O 3.24Å; E317-V404 WeakPolarHBondContact CA-O 3.32Å; E317-R405 HydrophobicContact CB-CB 4.4Å; E317-R405 HydrophobicContact CB-CG 3.68Å; E317-R405 IonicContact OE2-CZ 2.75Å; E317-R405 IonicContact OE2-NE 3.42Å; E317-R405 PolarHBondContact OE2-NE 3.16Å; E317-R405 IonicContact OE2-NH2 2.68Å
318	G	94.9	Very high	92.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.5	176.6	176.3	0	0	0	0	0	113.3	K310 M362 G403 V404	K310-G318 CarbonylContact O-C 3.52Å; K310-G318 WeakPolarHBondContact O-CA 3.42Å; G318-M362 VanDerWaalsContact N-CE 3.3Å; G318-G403 CarbonylContact O-C 3.53Å; G318-G403 WeakPolarHBondContact O-CA 3.45Å; G318-V404 PolarHBondContact N-O 2.97Å; G318-V404 PolarHBondContact O-N 3.13Å
319	R	96.6	Very high	92.2	Very high	5 Å²	5	25 Å²	25	2%	0.019	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	135.2	168.3	178.5	179.1	59.6	-105.9	3.9	109.2	L309 K310 E321 T330 M362 G363 Q364 D401	L309-R319 WeakPolarHBondContact CA-O 3.43Å; K310-R319 PolarHBondContact N-O 2.74Å; K310-R319 PolarHBondContact O-N 3.27Å; R319-E321 IonicContact CZ-OE1 3.73Å; R319-E321 IonicContact NE-OE1 2.73Å; R319-E321 PolarHBondContact NE-OE1 3.35Å; R319-E321 IonicContact NH2-OE1 3Å; R319-E321 PolarHBondContact NH2-OE1 2.79Å; R319-T330 HydrophobicContact CG-CG2 4.47Å; R319-M362 HydrophobicContact CB-CB 4.2Å; R319-M362 VanDerWaalsContact N-CB 3.29Å; R319-G363 WeakPolarHBondContact CD-O 3.42Å; R319-G363 PolarHBondContact NH1-O 2.95Å; R319-Q364 VanDerWaalsContact NH1-C 3.33Å; R319-Q364 PolarHBondContact NH1-O 2.85Å; R319-D401 HydrophobicContact CG-CB 4.13Å
320	V	97.6	Very high	92.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	120.6	179.9	-175.8	0	0	0	0	109.6	V307 L309 V322 V331 W336 V344 L383 A402 V404	V307-V320 HydrophobicContact CG1-CG1 4Å; L309-V320 HydrophobicContact CD2-CG2 3.94Å; V320-V322 HydrophobicContact CG1-CG1 4.41Å; V320-V331 HydrophobicContact CB-CG2 4.41Å; V320-V331 HydrophobicContact CG1-CG2 3.99Å; V320-V331 PolarHBondContact O-N 3.05Å; V320-W336 HydrophobicContact CG2-CH2 4.42Å; V320-W336 HydrophobicContact CG2-CZ2 4.04Å; V320-V344 HydrophobicContact CG1-CG1 4.39Å; V320-V344 HydrophobicContact CG1-CG2 4.18Å; V320-V344 HydrophobicContact CG2-CG1 4.34Å; V320-L383 HydrophobicContact CG1-CD2 4.08Å; V320-A402 PolarHBondContact N-O 3.03Å; V320-V404 HydrophobicContact CG2-CB 4.49Å; V320-V404 HydrophobicContact CG2-CG1 3.74Å; V320-V404 HydrophobicContact CG2-CG2 4.16Å
321	E	96.6	Very high	92.3	Very high	13 Å²	13	22.4 Å²	22.4	6%	0.061	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141.3	173.2	-70.8	177.4	-170.9	0	0	110.3	V307 R308 R319 W328 G329 T330	V307-E321 CarbonylContact C-O 3.59Å; V307-E321 VanDerWaalsContact CA-O 3.31Å; V307-E321 WeakPolarHBondContact CA-O 3.02Å; R308-E321 HydrophobicContact CG-CB 3.82Å; R308-E321 IonicContact CZ-OE2 2.95Å; R308-E321 PolarHBondContact N-O 3.39Å; R308-E321 IonicContact NE-OE2 3.72Å; R308-E321 PolarHBondContact NE-OE2 3.02Å; R308-E321 IonicContact NH2-OE2 3.77Å; R308-E321 PolarHBondContact NH2-OE2 2.84Å; R308-E321 PolarHBondContact O-N 2.63Å; R319-E321 IonicContact CZ-OE1 3.73Å; R319-E321 IonicContact NE-OE1 2.73Å; R319-E321 PolarHBondContact NE-OE1 3.35Å; R319-E321 IonicContact NH2-OE1 3Å; R319-E321 PolarHBondContact NH2-OE1 2.79Å; E321-W328 HydrophobicContact CB-CE3 4.14Å; E321-W328 WeakPolarHBondContact O-CZ3 3.1Å; E321-G329 CarbonylContact C-O 3.57Å; E321-G329 VanDerWaalsContact CA-O 3.3Å; E321-G329 WeakPolarHBondContact CA-O 3.49Å; E321-T330 HydrophobicContact CG-CG2 4.09Å
322	V	95.4	Very high	92.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	147.8	-176.4	-58.6	0	0	0	0	111.2	R306 V307 V320 W328 G329 V331 H370 L371 L383 W384	R306-V322 WeakPolarHBondContact O-CA 3.2Å; V307-V322 HydrophobicContact CG1-CG1 4.49Å; V307-V322 HydrophobicContact CG2-CG1 4.15Å; V320-V322 HydrophobicContact CG1-CG1 4.41Å; V322-W328 VanDerWaalsContact C-CE3 3.43Å; V322-G329 PolarHBondContact N-O 3.5Å; V322-G329 PolarHBondContact O-N 2.87Å; V322-V331 HydrophobicContact CG1-CG2 3.74Å; V322-V331 HydrophobicContact CG2-CG2 4.23Å; V322-H370 HydrophobicContact CG2-CB 3.68Å; V322-H370 PolarHBondContact O-CD2 3.38Å; V322-L371 HydrophobicContact CB-CD1 4.42Å; V322-L371 HydrophobicContact CG1-CD1 4.01Å; V322-L371 HydrophobicContact CG2-CD1 3.91Å; V322-L371 HydrophobicContact CG2-CG 4.05Å; V322-L383 HydrophobicContact CG1-CD2 3.86Å; V322-W384 HydrophobicContact CB-CH2 4.49Å; V322-W384 HydrophobicContact CB-CZ2 3.58Å; V322-W384 HydrophobicContact CG2-CH2 4Å; V322-W384 HydrophobicContact CG2-CZ2 3.55Å
323	L	93.8	Very high	92.2	Very high	9 Å²	9	22.7 Å²	22.7	5%	0.047	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	118.5	-178.8	-172.7	72.1	0	0	0	111	E304 R306 W328 W384	E304-L323 HydrophobicContact CG-CD2 3.67Å; E304-L323 WeakPolarHBondContact OE1-CD2 3.29Å; R306-L323 PolarHBondContact O-N 2.88Å; L323-W328 HydrophobicContact CB-CD2 4.22Å; L323-W328 HydrophobicContact CB-CE3 4.04Å; L323-W328 HydrophobicContact CB-CH2 3.99Å; L323-W328 HydrophobicContact CB-CZ2 4.16Å; L323-W328 HydrophobicContact CB-CZ3 3.92Å; L323-W328 HydrophobicContact CD1-CD2 3.94Å; L323-W328 HydrophobicContact CD1-CG 4.08Å; L323-W328 HydrophobicContact CD1-CZ2 4.3Å; L323-W384 WeakPolarHBondContact O-CZ2 3.11Å
324	K	90.7	Very high	92.1	Very high	69 Å²	69	27.1 Å²	27.1	30%	0.3	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	126.4	175.7	-165.1	-178.7	-171.2	171	0	109.2	S326 T327 H370 W384 N390	K324-S326 PolarHBondContact O-N 2.94Å; K324-T327 PolarHBondContact N-O 3.3Å; K324-T327 PolarHBondContact O-N 2.72Å; K324-T327 VanDerWaalsContact O-O 3.09Å; K324-T327 PolarHBondContact O-OG1 3.17Å; K324-T327 VanDerWaalsContact O-OG1 3.12Å; K324-H370 HydrophobicContact CB-CB 4.47Å; K324-H370 HydrophobicContact CD-CB 4.24Å; K324-W384 HydrophobicContact CB-CH2 3.83Å; K324-W384 HydrophobicContact CB-CZ2 4.23Å; K324-W384 HydrophobicContact CD-CH2 4.14Å; K324-W384 HydrophobicContact CG-CH2 3.98Å; K324-N390 PolarHBondContact NZ-OD1 2.86Å
325	A	87.3	Confident	91.8	Very high	97 Å²	97	30.6 Å²	30.6	80%	0.802	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.4	44.2	179.1	0	0	0	0	0	113.7	T327	A325-T327 PolarHBondContact O-N 2.99Å
326	S	88.7	Confident	91.9	Very high	50 Å²	50	29.9 Å²	29.9	35%	0.35	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	6.1	-179.5	-65.1	0	0	0	0	116.7	K324 F733 S734	K324-S326 PolarHBondContact O-N 2.94Å; S326-F733 WeakPolarHBondContact O-CA 3.34Å; S326-S734 VanDerWaalsContact CB-OG 3.3Å; S326-S734 WeakPolarHBondContact CB-OG 3.11Å; S326-S734 PolarHBondContact O-N 2.91Å; S326-S734 PolarHBondContact O-OG 3.28Å; S326-S734 PolarHBondContact OG-OG 2.03Å
327	T	91.6	Very high	91.5	Very high	50 Å²	50	32.6 Å²	32.6	31%	0.307	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	137.7	172.5	66.1	0	0	0	0	111.3	K324 A325 H370 F733	K324-T327 PolarHBondContact N-O 3.3Å; K324-T327 PolarHBondContact O-N 2.72Å; K324-T327 VanDerWaalsContact O-O 3.09Å; K324-T327 PolarHBondContact O-OG1 3.17Å; K324-T327 VanDerWaalsContact O-OG1 3.12Å; A325-T327 PolarHBondContact O-N 2.99Å; T327-H370 PolarHBondContact O-NE2 3.41Å; T327-F733 HydrophobicContact CG2-CD1 3.86Å; T327-F733 HydrophobicContact CG2-CE1 3.78Å
328	W	94	Very high	91.1	Very high	36 Å²	36	32.9 Å²	32.9	14%	0.136	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	146.3	171.5	-70.8	101.9	0	0	0	110.1	A305 R308 E321 V322 L323 D731 A732	A305-W328 VanDerWaalsContact O-CH2 3.26Å; A305-W328 WeakPolarHBondContact O-CH2 3.43Å; R308-W328 HydrophobicContact CB-CH2 3.95Å; R308-W328 HydrophobicContact CB-CZ3 3.97Å; R308-W328 HydrophobicContact CG-CD2 4.35Å; R308-W328 HydrophobicContact CG-CE3 3.78Å; R308-W328 HydrophobicContact CG-CH2 3.87Å; R308-W328 HydrophobicContact CG-CZ2 4.42Å; R308-W328 HydrophobicContact CG-CZ3 3.52Å; R308-W328 VanDerWaalsContact CZ-CG 3.42Å; R308-W328 VanDerWaalsContact NH1-CD1 3.31Å; E321-W328 HydrophobicContact CB-CE3 4.14Å; E321-W328 WeakPolarHBondContact O-CZ3 3.1Å; V322-W328 VanDerWaalsContact C-CE3 3.43Å; L323-W328 HydrophobicContact CB-CD2 4.22Å; L323-W328 HydrophobicContact CB-CE3 4.04Å; L323-W328 HydrophobicContact CB-CH2 3.99Å; L323-W328 HydrophobicContact CB-CZ2 4.16Å; L323-W328 HydrophobicContact CB-CZ3 3.92Å; L323-W328 HydrophobicContact CD1-CD2 3.94Å; L323-W328 HydrophobicContact CD1-CG 4.08Å; L323-W328 HydrophobicContact CD1-CZ2 4.3Å; W328-D731 VanDerWaalsContact CD1-O 3.29Å; W328-A732 PolarHBondContact N-O 2.76Å
329	G	93.6	Very high	90.7	Very high	3 Å²	3	36.2 Å²	36.2	3%	0.031	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	165.5	175.7	0	0	0	0	0	110.8	E321 V322 A368 H370	E321-G329 CarbonylContact C-O 3.57Å; E321-G329 VanDerWaalsContact CA-O 3.3Å; E321-G329 WeakPolarHBondContact CA-O 3.49Å; V322-G329 PolarHBondContact N-O 3.5Å; V322-G329 PolarHBondContact O-N 2.87Å; G329-A368 CarbonylContact C-O 3.55Å; G329-A368 WeakPolarHBondContact CA-O 3.16Å; G329-H370 WeakPolarHBondContact CA-CD2 3.24Å; G329-H370 PolarHBondContact N-CD2 3.17Å; G329-H370 VanDerWaalsContact N-CD2 3.33Å
330	T	94.9	Very high	90.5	Very high	1 Å²	1	36 Å²	36	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	175.3	-171.2	61.9	0	0	0	0	112.4	R319 E321 A368 H370 D401	R319-T330 HydrophobicContact CG-CG2 4.47Å; E321-T330 HydrophobicContact CG-CG2 4.09Å; T330-A368 PolarHBondContact N-O 3.31Å; T330-H370 PolarHBondContact O-N 2.83Å; T330-D401 WeakPolarHBondContact CB-OD1 3.26Å; T330-D401 PolarHBondContact OG1-OD1 3.13Å
331	V	95.3	Very high	90.3	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	129.7	175.8	-179	0	0	0	0	108.5	V320 V322 W336 L371 V374 L383 A402	V320-V331 HydrophobicContact CB-CG2 4.41Å; V320-V331 HydrophobicContact CG1-CG2 3.99Å; V320-V331 PolarHBondContact O-N 3.05Å; V322-V331 HydrophobicContact CG1-CG2 3.74Å; V322-V331 HydrophobicContact CG2-CG2 4.23Å; V331-W336 HydrophobicContact CG1-CE3 4.36Å; V331-W336 HydrophobicContact CG1-CZ3 4.2Å; V331-L371 HydrophobicContact CB-CB 4.45Å; V331-L371 HydrophobicContact CG1-CB 4Å; V331-L371 HydrophobicContact CG2-CB 4.15Å; V331-L371 HydrophobicContact CG2-CD1 4.15Å; V331-V374 HydrophobicContact CG1-CG2 3.92Å; V331-L383 HydrophobicContact CG2-CD2 4.24Å; V331-A402 HydrophobicContact CB-CB 4.31Å; V331-A402 HydrophobicContact CG1-CB 4.35Å; V331-A402 VanDerWaalsContact O-CB 3.32Å; V331-A402 WeakPolarHBondContact O-CB 3.46Å; V331-A402 PolarHBondContact O-N 3.06Å
332	C	92.3	Very high	90.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-74.3	141.4	175.7	-177.4	0	0	0	0	111.3	R334 I369 L371 I391 C396 Q400	C332-R334 VanDerWaalsContact C-N 3.26Å; C332-R334 PolarHBondContact O-N 2.98Å; C332-I369 HydrophobicContact CB-CG2 4.11Å; C332-L371 PolarHBondContact N-O 2.94Å; C332-I391 HydrophobicContact CB-CD1 4.37Å; C332-C396 HydrophobicContact CB-CB 3.76Å; C332-C396 WeakPolarHBondContact CB-SG 3.37Å; C332-C396 WeakPolarHBondContact SG-CB 3.44Å; C332-C396 CovalentContact SG-SG 2.05Å; C332-C396 PolarHBondContact SG-SG 2.71Å; C332-Q400 CarbonylContact C-O 3.53Å
333	D	87.8	Confident	90.2	Very high	27 Å²	27	35.8 Å²	35.8	14%	0.144	19%	0.189	C	C	.	.			trans	-77.6	-2.3	-175	69.8	8.7	0	0	0	115.2	K335 W336 S358 G359 Q400 A402	D333-K335 PolarHBondContact O-N 3.13Å; D333-K335 VanDerWaalsContact O-N 3.16Å; D333-W336 HydrophobicContact CB-CB 4.28Å; D333-W336 WeakPolarHBondContact O-CB 3.16Å; D333-W336 PolarHBondContact O-N 3.14Å; D333-S358 WeakPolarHBondContact OD2-CA 3.38Å; D333-S358 VanDerWaalsContact OD2-CB 3.29Å; D333-S358 WeakPolarHBondContact OD2-CB 3.49Å; D333-G359 PolarHBondContact OD2-N 3.45Å; D333-Q400 VanDerWaalsContact CB-O 3.26Å; D333-Q400 WeakPolarHBondContact CB-O 3.47Å; D333-Q400 PolarHBondContact N-O 3.25Å; D333-A402 HydrophobicContact CB-CB 4.22Å
334	R	84.6	Confident	90.3	Very high	98 Å²	98	35.4 Å²	35.4	37%	0.37	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	120.9	175.3	-74.2	-172.9	179.2	151.4	10.5	110.4	C332 W336 E373 D395	C332-R334 VanDerWaalsContact C-N 3.26Å; C332-R334 PolarHBondContact O-N 2.98Å; R334-W336 PolarHBondContact O-N 2.85Å; R334-E373 HydrophobicContact CB-CG 4.26Å; R334-E373 VanDerWaalsContact O-CA 3.24Å; R334-E373 WeakPolarHBondContact O-CA 3.23Å; R334-E373 PolarHBondContact O-N 2.78Å; R334-D395 PolarHBondContact NH1-O 3.12Å; R334-D395 PolarHBondContact NH2-O 3.19Å
335	K	82.2	Confident	90.6	Very high	119 Å²	119	32.1 Å²	32.1	52%	0.517	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	24.2	-174.1	-57.4	179.3	178.7	159.7	0	113.6	D333 D337 E373	D333-K335 PolarHBondContact O-N 3.13Å; D333-K335 VanDerWaalsContact O-N 3.16Å; K335-D337 PolarHBondContact O-N 2.91Å; K335-E373 HydrophobicContact CD-CB 4.35Å; K335-E373 HydrophobicContact CD-CG 4.21Å; K335-E373 IonicContact NZ-OE2 2.97Å; K335-E373 PolarHBondContact NZ-OE2 3.06Å
336	W	88	Confident	91	Very high	27 Å²	27	29.7 Å²	29.7	10%	0.102	14%	0.142	C	C	.	.			trans	-72.6	119	172.8	-173.8	-115.8	0	0	0	110.4	V320 V331 D333 R334 A340 A341 V344 L357 V374 L383 A402 G403 V404	V320-W336 HydrophobicContact CG2-CH2 4.42Å; V320-W336 HydrophobicContact CG2-CZ2 4.04Å; V331-W336 HydrophobicContact CG1-CE3 4.36Å; V331-W336 HydrophobicContact CG1-CZ3 4.2Å; D333-W336 HydrophobicContact CB-CB 4.28Å; D333-W336 WeakPolarHBondContact O-CB 3.16Å; D333-W336 PolarHBondContact O-N 3.14Å; R334-W336 PolarHBondContact O-N 2.85Å; W336-A340 HydrophobicContact CD2-CB 4.48Å; W336-A340 HydrophobicContact CE3-CB 3.85Å; W336-A340 HydrophobicContact CH2-CB 4.01Å; W336-A340 HydrophobicContact CZ3-CB 3.6Å; W336-A341 HydrophobicContact CZ2-CB 4.11Å; W336-V344 HydrophobicContact CH2-CG2 3.88Å; W336-V344 HydrophobicContact CZ2-CG2 4.47Å; W336-L357 VanDerWaalsContact CD1-O 3.29Å; W336-V374 HydrophobicContact CE3-CB 4.33Å; W336-V374 HydrophobicContact CZ3-CB 4.23Å; W336-V374 HydrophobicContact CZ3-CG1 4.35Å; W336-L383 HydrophobicContact CH2-CD1 4.1Å; W336-L383 HydrophobicContact CH2-CD2 4.44Å; W336-L383 HydrophobicContact CZ3-CD1 4.04Å; W336-A402 HydrophobicContact CB-CB 4.49Å; W336-A402 HydrophobicContact CD2-CB 3.81Å; W336-A402 HydrophobicContact CE3-CB 4.33Å; W336-A402 HydrophobicContact CG-CB 3.86Å; W336-G403 PolarHBondContact NE1-O 2.99Å; W336-V404 HydrophobicContact CZ2-CG1 3.59Å
337	D	82.4	Confident	91.3	Very high	58 Å²	58	29.9 Å²	29.9	31%	0.31	14%	0.138	S	C	.	.			trans	-127.1	176	-174.9	70.1	21.9	0	0	0	113	K335 H339 A340 A341 A356	K335-D337 PolarHBondContact O-N 2.91Å; D337-H339 VanDerWaalsContact C-N 3.27Å; D337-H339 PolarHBondContact O-N 3.23Å; D337-H339 WeakPolarHBondContact OD1-CB 3.35Å; D337-H339 PolarHBondContact OD1-N 2.98Å; D337-A340 PolarHBondContact O-N 2.82Å; D337-A340 PolarHBondContact OD1-N 3.23Å; D337-A341 WeakPolarHBondContact O-CB 3.35Å; D337-A341 PolarHBondContact O-N 2.87Å; D337-A356 WeakPolarHBondContact O-CB 3.48Å
338	L	84.1	Confident	91.4	Very high	29 Å²	29	29.8 Å²	29.8	15%	0.152	14%	0.135	C	C	.	.	H	α-helix	trans	-68.8	-25	-177.4	-162.6	64.9	0	0	0	113	F49 A253 S342 A353 A356	F49-L338 HydrophobicContact CE1-CD2 4.26Å; A253-L338 HydrophobicContact CB-CD2 3.47Å; A253-L338 VanDerWaalsContact CB-CD2 3.47Å; A253-L338 HydrophobicContact CB-CG 3.81Å; L338-S342 VanDerWaalsContact O-CB 3.27Å; L338-S342 WeakPolarHBondContact O-CB 3.31Å; L338-S342 PolarHBondContact O-N 3.14Å; L338-S342 PolarHBondContact O-OG 3.48Å; L338-A353 HydrophobicContact CD1-CB 3.85Å; L338-A356 HydrophobicContact CD1-CB 4.45Å
339	H	87.4	Confident	91.4	Very high	70 Å²	70	28.6 Å²	28.6	32%	0.324	13%	0.134	S	C	.	.	H	α-helix	trans	-71.5	-46.5	175.6	-68.4	-54.2	0	0	0	110.4	T251 D337 S342 V343	T251-H339 PolarHBondContact O-CE1 2.83Å; T251-H339 PolarHBondContact O-ND1 2.97Å; D337-H339 VanDerWaalsContact C-N 3.27Å; D337-H339 PolarHBondContact O-N 3.23Å; D337-H339 WeakPolarHBondContact OD1-CB 3.35Å; D337-H339 PolarHBondContact OD1-N 2.98Å; H339-S342 PolarHBondContact O-N 3.16Å; H339-V343 WeakPolarHBondContact O-CG2 3.11Å; H339-V343 PolarHBondContact O-N 3.09Å
340	A	92.9	Very high	91.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62	-43.9	175.2	0	0	0	0	0	112	W336 D337 S342 V343 V344 V374 C376	W336-A340 HydrophobicContact CD2-CB 4.48Å; W336-A340 HydrophobicContact CE3-CB 3.85Å; W336-A340 HydrophobicContact CH2-CB 4.01Å; W336-A340 HydrophobicContact CZ3-CB 3.6Å; D337-A340 PolarHBondContact O-N 2.82Å; D337-A340 PolarHBondContact OD1-N 3.23Å; A340-S342 VanDerWaalsContact C-N 3.32Å; A340-S342 PolarHBondContact O-N 2.9Å; A340-V343 WeakPolarHBondContact O-CB 3.33Å; A340-V343 PolarHBondContact O-N 3.44Å; A340-V344 PolarHBondContact O-N 3.14Å; A340-V344 VanDerWaalsContact O-N 3.16Å; A340-V374 HydrophobicContact CB-CG1 4.28Å; A340-C376 VanDerWaalsContact CA-SG 3.5Å; A340-C376 HydrophobicContact CB-CB 4.11Å
341	A	92.9	Very high	91.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.4	-41.8	173.4	0	0	0	0	0	112.3	W336 D337 V343 V344 C345 A353 A356 V404	W336-A341 HydrophobicContact CZ2-CB 4.11Å; D337-A341 WeakPolarHBondContact O-CB 3.35Å; D337-A341 PolarHBondContact O-N 2.87Å; A341-V343 VanDerWaalsContact C-N 3.33Å; A341-V343 PolarHBondContact O-N 2.72Å; A341-V344 WeakPolarHBondContact O-CB 3.48Å; A341-V344 PolarHBondContact O-N 2.78Å; A341-C345 PolarHBondContact O-N 3.5Å; A341-C345 PolarHBondContact O-SG 3.24Å; A341-C345 VanDerWaalsContact O-SG 3.35Å; A341-A353 HydrophobicContact CB-CB 3.5Å; A341-A353 VanDerWaalsContact CB-CB 3.5Å; A341-A356 HydrophobicContact CB-CB 3.8Å; A341-V404 HydrophobicContact CB-CB 4.4Å; A341-V404 HydrophobicContact CB-CG1 3.56Å
342	S	93.3	Very high	91.2	Very high	9 Å²	9	29.4 Å²	29.4	6%	0.063	14%	0.139	C	C	.	.	H	α-helix	trans	-67.2	-33	178.7	-64.6	0	0	0	0	112.6	L338 H339 A340 C345 R346 A353	L338-S342 VanDerWaalsContact O-CB 3.27Å; L338-S342 WeakPolarHBondContact O-CB 3.31Å; L338-S342 PolarHBondContact O-N 3.14Å; L338-S342 PolarHBondContact O-OG 3.48Å; H339-S342 PolarHBondContact O-N 3.16Å; A340-S342 VanDerWaalsContact C-N 3.32Å; A340-S342 PolarHBondContact O-N 2.9Å; S342-C345 PolarHBondContact O-N 3.03Å; S342-R346 WeakPolarHBondContact O-CB 3.41Å; S342-R346 PolarHBondContact O-N 3.12Å; S342-A353 WeakPolarHBondContact OG-CB 3.36Å; S342-A353 PolarHBondContact OG-N 3.08Å
343	V	96	Very high	91.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62	-45.2	171.5	170.5	0	0	0	0	110.5	H339 A340 A341 R346 E347 C376 E380	H339-V343 WeakPolarHBondContact O-CG2 3.11Å; H339-V343 PolarHBondContact O-N 3.09Å; A340-V343 WeakPolarHBondContact O-CB 3.33Å; A340-V343 PolarHBondContact O-N 3.44Å; A341-V343 VanDerWaalsContact C-N 3.33Å; A341-V343 PolarHBondContact O-N 2.72Å; V343-R346 PolarHBondContact O-N 2.95Å; V343-E347 VanDerWaalsContact O-CB 3.26Å; V343-E347 WeakPolarHBondContact O-CB 3.25Å; V343-E347 PolarHBondContact O-N 3.31Å; V343-C376 HydrophobicContact CG2-CB 4.02Å; V343-E380 HydrophobicContact CG1-CB 4.13Å; V343-E380 HydrophobicContact CG2-CB 4.17Å
344	V	97.3	Very high	91	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.4	-49.3	175.7	173.8	0	0	0	0	111.4	V307 L309 V320 W336 A340 A341 R346 E347 L348 L383 V404	V307-V344 HydrophobicContact CG1-CG1 3.96Å; L309-V344 HydrophobicContact CD2-CG1 4.1Å; V320-V344 HydrophobicContact CG1-CG1 4.39Å; V320-V344 HydrophobicContact CG1-CG2 4.18Å; V320-V344 HydrophobicContact CG2-CG1 4.34Å; W336-V344 HydrophobicContact CH2-CG2 3.88Å; W336-V344 HydrophobicContact CZ2-CG2 4.47Å; A340-V344 PolarHBondContact O-N 3.14Å; A340-V344 VanDerWaalsContact O-N 3.16Å; A341-V344 WeakPolarHBondContact O-CB 3.48Å; A341-V344 PolarHBondContact O-N 2.78Å; V344-R346 VanDerWaalsContact C-N 3.32Å; V344-R346 PolarHBondContact O-N 3.19Å; V344-E347 PolarHBondContact O-N 3.33Å; V344-L348 HydrophobicContact CG1-CD1 3.83Å; V344-L348 WeakPolarHBondContact O-CG 3.34Å; V344-L348 PolarHBondContact O-N 3.37Å; V344-L383 HydrophobicContact CG2-CB 4.29Å; V344-L383 HydrophobicContact CG2-CD1 3.83Å; V344-L383 HydrophobicContact CG2-CD2 3.82Å; V344-L383 HydrophobicContact CG2-CG 4.2Å; V344-V404 HydrophobicContact CB-CG1 4.48Å; V344-V404 HydrophobicContact CG1-CG2 4.22Å
345	C	96.2	Very high	90.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-57.9	-45.3	180	-69.3	0	0	0	0	112.1	A341 S342 L348 G349 F350 G351 C406	A341-C345 PolarHBondContact O-N 3.5Å; A341-C345 PolarHBondContact O-SG 3.24Å; A341-C345 VanDerWaalsContact O-SG 3.35Å; S342-C345 PolarHBondContact O-N 3.03Å; C345-L348 PolarHBondContact O-N 2.98Å; C345-G349 PolarHBondContact O-N 3.07Å; C345-F350 HydrophobicContact CB-CB 4.39Å; C345-F350 WeakPolarHBondContact O-CA 3.38Å; C345-F350 WeakPolarHBondContact O-CB 3.43Å; C345-F350 PolarHBondContact O-N 3.39Å; C345-G351 WeakPolarHBondContact CB-O 3.5Å; C345-C406 WeakPolarHBondContact CA-SG 3.25Å; C345-C406 HydrophobicContact CB-CB 3.67Å; C345-C406 WeakPolarHBondContact CB-SG 3.4Å; C345-C406 WeakPolarHBondContact SG-CA 3.44Å; C345-C406 WeakPolarHBondContact SG-CB 3.33Å; C345-C406 CovalentContact SG-SG 2.03Å; C345-C406 PolarHBondContact SG-SG 3.19Å
346	R	94.7	Very high	91	Very high	46 Å²	46	28.7 Å²	28.7	17%	0.174	14%	0.137	C	C	.	.	H	α-helix	trans	-70.7	-38.1	179.2	-171.1	175.3	58.3	-142.6	-9.2	112.7	H211 P220 S342 V343 V344 L348 G349 G378 E380	H211-R346 PolarHBondContact NE2-NH1 3.21Å; P220-R346 HydrophobicContact CB-CG 4Å; P220-R346 WeakPolarHBondContact O-CD 2.99Å; P220-R346 WeakPolarHBondContact O-CG 3.37Å; S342-R346 WeakPolarHBondContact O-CB 3.41Å; S342-R346 PolarHBondContact O-N 3.12Å; V343-R346 PolarHBondContact O-N 2.95Å; V344-R346 VanDerWaalsContact C-N 3.32Å; V344-R346 PolarHBondContact O-N 3.19Å; R346-L348 PolarHBondContact O-N 2.94Å; R346-G349 PolarHBondContact O-N 3.04Å; R346-G378 PolarHBondContact NH1-O 3.15Å; R346-G378 VanDerWaalsContact NH1-O 3.11Å; R346-G378 PolarHBondContact NH2-O 2.76Å; R346-E380 PolarHBondContact NH2-O 2.84Å
347	E	95.5	Very high	90.7	Very high	55 Å²	55	27.7 Å²	27.7	26%	0.257	13%	0.134	S	C	.	.	H	α-helix	trans	-58.5	-38.8	174.3	177.3	170.4	-162.4	0	0	111.3	V307 V343 V344 G349 S382 L383	V307-E347 WeakPolarHBondContact CG2-OE2 3.3Å; V343-E347 VanDerWaalsContact O-CB 3.26Å; V343-E347 WeakPolarHBondContact O-CB 3.25Å; V343-E347 PolarHBondContact O-N 3.31Å; V344-E347 PolarHBondContact O-N 3.33Å; E347-G349 VanDerWaalsContact C-N 3.25Å; E347-G349 PolarHBondContact O-N 3.39Å; E347-S382 VanDerWaalsContact CD-OG 3.28Å; E347-S382 VanDerWaalsContact OE1-CB 3.26Å; E347-S382 WeakPolarHBondContact OE1-CB 3.06Å; E347-S382 PolarHBondContact OE1-OG 2.98Å; E347-S382 WeakPolarHBondContact OE2-CA 3.31Å; E347-S382 PolarHBondContact OE2-OG 2.72Å; E347-L383 PolarHBondContact OE2-N 2.78Å
348	L	94.6	Very high	90.7	Very high	48 Å²	48	27 Å²	27	25%	0.251	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-4.3	176.5	-64.6	171.7	0	0	0	113.8	V307 L309 V344 C345 R346 F350	V307-L348 WeakPolarHBondContact O-CD2 3.41Å; L309-L348 HydrophobicContact CD1-CD1 3.7Å; L309-L348 HydrophobicContact CD2-CD1 4.09Å; L309-L348 HydrophobicContact CG-CD1 3.54Å; V344-L348 HydrophobicContact CG1-CD1 3.83Å; V344-L348 WeakPolarHBondContact O-CG 3.34Å; V344-L348 PolarHBondContact O-N 3.37Å; C345-L348 PolarHBondContact O-N 2.98Å; R346-L348 PolarHBondContact O-N 2.94Å; L348-F350 HydrophobicContact CB-CD2 3.7Å; L348-F350 HydrophobicContact CB-CE2 3.74Å; L348-F350 HydrophobicContact CD1-CE2 4.37Å
349	G	93.8	Very high	90.6	Very high	10 Å²	10	27.6 Å²	27.6	10%	0.103	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	17.5	178.2	0	0	0	0	0	114.9	P220 G284 C345 R346 E347	P220-G349 WeakPolarHBondContact CD-O 3.06Å; G284-G349 WeakPolarHBondContact CA-O 3.26Å; C345-G349 PolarHBondContact O-N 3.07Å; R346-G349 PolarHBondContact O-N 3.04Å; E347-G349 VanDerWaalsContact C-N 3.25Å; E347-G349 PolarHBondContact O-N 3.39Å
350	F	94.5	Very high	90.5	Very high	8 Å²	8	24.8 Å²	24.8	4%	0.035	14%	0.136	C	C	.	.			trans	-93.1	-175.7	168.5	-53.9	-65.2	0	0	0	111	P220 L286 Y287 P315 C345 L348 C406 L408	P220-F350 WeakPolarHBondContact CA-O 3.26Å; P220-F350 VanDerWaalsContact CB-O 3.25Å; P220-F350 WeakPolarHBondContact CB-O 3.45Å; L286-F350 HydrophobicContact CD1-CE1 3.74Å; L286-F350 HydrophobicContact CD1-CZ 3.7Å; Y287-F350 HydrophobicContact CE2-CD1 4.09Å; Y287-F350 HydrophobicContact CE2-CE1 4.03Å; P315-F350 HydrophobicContact CB-CE1 4.35Å; P315-F350 HydrophobicContact CB-CZ 4Å; P315-F350 WeakPolarHBondContact O-CE2 3.4Å; P315-F350 VanDerWaalsContact O-CZ 3.26Å; P315-F350 WeakPolarHBondContact O-CZ 3.19Å; C345-F350 HydrophobicContact CB-CB 4.39Å; C345-F350 WeakPolarHBondContact O-CA 3.38Å; C345-F350 WeakPolarHBondContact O-CB 3.43Å; C345-F350 PolarHBondContact O-N 3.39Å; L348-F350 HydrophobicContact CB-CD2 3.7Å; L348-F350 HydrophobicContact CB-CE2 3.74Å; L348-F350 HydrophobicContact CD1-CE2 4.37Å; F350-C406 HydrophobicContact CB-CB 3.77Å; F350-C406 HydrophobicContact CD2-CB 4.25Å; F350-C406 HydrophobicContact CG-CB 4.14Å; F350-L408 HydrophobicContact CB-CD2 4.44Å; F350-L408 HydrophobicContact CD1-CD2 3.21Å; F350-L408 HydrophobicContact CE1-CD2 3.53Å; F350-L408 HydrophobicContact CG-CD2 3.96Å; F350-L408 HydrophobicContact CZ-CD2 4.49Å
351	G	93.6	Very high	90	Very high	3 Å²	3	29.1 Å²	29.1	3%	0.031	15%	0.152	C	C	.	.			trans	-77.7	-148.8	174.9	0	0	0	0	0	114	G215 G218 C345 N407	G215-G351 CarbonylContact O-C 3.47Å; G215-G351 WeakPolarHBondContact O-CA 3.48Å; G218-G351 VanDerWaalsContact C-N 3.3Å; G218-G351 PolarHBondContact O-N 3.42Å; C345-G351 WeakPolarHBondContact CB-O 3.5Å; G351-N407 PolarHBondContact N-O 3.02Å
352	S	91.7	Very high	89.8	Confident	11 Å²	11	29.2 Å²	29.2	8%	0.077	15%	0.153	C	C	.	.	S	Bend	trans	-70.9	161.8	170.9	56.2	0	0	0	0	111.1	G215 M216 A253 N407	G215-S352 VanDerWaalsContact C-OG 3.28Å; G215-S352 PolarHBondContact O-N 3.27Å; G215-S352 PolarHBondContact O-OG 2.81Å; M216-S352 PolarHBondContact N-OG 2.73Å; A253-S352 PolarHBondContact O-OG 2.04Å; S352-N407 PolarHBondContact O-N 3.28Å; S352-N407 PolarHBondContact O-ND2 3.33Å; S352-N407 PolarHBondContact OG-ND2 2.6Å
353	A	89.1	Confident	89.5	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.008	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	133.1	170.7	0	0	0	0	0	110.2	A253 L338 A341 S342 R405	A253-A353 WeakPolarHBondContact CB-O 3.26Å; L338-A353 HydrophobicContact CD1-CB 3.85Å; A341-A353 HydrophobicContact CB-CB 3.5Å; A341-A353 VanDerWaalsContact CB-CB 3.5Å; S342-A353 WeakPolarHBondContact OG-CB 3.36Å; S342-A353 PolarHBondContact OG-N 3.08Å; A353-R405 CarbonylContact C-O 3.52Å
354	R	86.5	Confident	89.4	Confident	168 Å²	168	30.2 Å²	30.2	63%	0.634	16%	0.157	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	-43.2	165.5	-171.6	-177.1	171.3	172.3	0.3	110.6	R405	R354-R405 WeakPolarHBondContact CA-O 3.38Å; R354-R405 WeakPolarHBondContact CB-O 3.39Å; R354-R405 PolarHBondContact N-O 2.87Å
355	E	81.9	Confident	89.1	Confident	35 Å²	35	30.3 Å²	30.3	16%	0.164	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	139.3	-178.4	-59.7	171.9	-161.5	0	0	110.8	L357 R405	E355-L357 HydrophobicContact CB-CD2 4.15Å; E355-L357 HydrophobicContact CB-CG 4.38Å; E355-R405 HydrophobicContact CB-CB 4.15Å; E355-R405 PolarHBondContact N-O 3.27Å; E355-R405 PolarHBondContact O-N 2.98Å; E355-R405 IonicContact OE1-NH1 3.74Å; E355-R405 WeakPolarHBondContact OE2-CD 3.39Å; E355-R405 IonicContact OE2-NH1 2.67Å; E355-R405 PolarHBondContact OE2-NH1 2.71Å; E355-R405 VanDerWaalsContact OE2-NH1 3.14Å
356	A	83.8	Confident	88.8	Confident	24 Å²	24	33 Å²	33	20%	0.198	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	117	161.7	0	0	0	0	0	107.7	D337 L338 A341	D337-A356 WeakPolarHBondContact O-CB 3.48Å; L338-A356 HydrophobicContact CD1-CB 4.45Å; A341-A356 HydrophobicContact CB-CB 3.8Å
357	L	82.7	Confident	88.5	Confident	7 Å²	7	33.6 Å²	33.6	4%	0.037	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	137.9	-174.6	-60.6	172.6	0	0	0	110.3	W336 E355 R361 M362 G403 R405	W336-L357 VanDerWaalsContact CD1-O 3.29Å; E355-L357 HydrophobicContact CB-CD2 4.15Å; E355-L357 HydrophobicContact CB-CG 4.38Å; L357-R361 HydrophobicContact CB-CB 4.47Å; L357-M362 HydrophobicContact CD1-CE 3.91Å; L357-M362 HydrophobicContact CD1-CG 3.47Å; L357-M362 VanDerWaalsContact CD1-CG 3.47Å; L357-M362 HydrophobicContact CD1-SD 3.47Å; L357-M362 WeakPolarHBondContact CD1-SD 3.36Å; L357-G403 PolarHBondContact N-O 3.24Å; L357-G403 PolarHBondContact O-N 2.97Å; L357-R405 HydrophobicContact CD1-CG 4.09Å
358	S	82.4	Confident	88.2	Confident	42 Å²	42	33.1 Å²	33.1	29%	0.294	20%	0.197	S	C	.	.			trans	-122.1	168.8	176.3	54.6	0	0	0	0	109.9	D333 R361	D333-S358 WeakPolarHBondContact OD2-CA 3.38Å; D333-S358 VanDerWaalsContact OD2-CB 3.29Å; D333-S358 WeakPolarHBondContact OD2-CB 3.49Å; S358-R361 VanDerWaalsContact O-CG 3.26Å; S358-R361 WeakPolarHBondContact O-CG 3.23Å; S358-R361 PolarHBondContact O-NE 3.08Å; S358-R361 PolarHBondContact OG-NH2 2.58Å; S358-R361 VanDerWaalsContact OG-NH2 3.08Å
359	G	81.4	Confident	88.1	Confident	42 Å²	42	32.1 Å²	32.1	43%	0.433	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	35.6	173.4	0	0	0	0	0	113.4	D333 R361 S399	D333-G359 PolarHBondContact OD2-N 3.45Å; G359-R361 PolarHBondContact O-N 3.12Å; G359-S399 CarbonylContact C-O 3.49Å; G359-S399 WeakPolarHBondContact CA-O 3.26Å
360	A	85.3	Confident	88.1	Confident	12 Å²	12	32.5 Å²	32.5	10%	0.099	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	32.6	-178.6	0	0	0	0	0	114.2	M362 G363 Q364 H398 S399 D401	A360-M362 PolarHBondContact O-N 3.03Å; A360-G363 WeakPolarHBondContact O-CA 3.49Å; A360-G363 PolarHBondContact O-N 2.81Å; A360-Q364 HydrophobicContact CB-CG 3.58Å; A360-H398 WeakPolarHBondContact CB-O 2.84Å; A360-S399 PolarHBondContact N-O 3.34Å; A360-D401 WeakPolarHBondContact CA-O 3.32Å; A360-D401 HydrophobicContact CB-CB 4.34Å; A360-D401 PolarHBondContact N-O 3.1Å; A360-D401 VanDerWaalsContact N-O 3.09Å
361	R	83.8	Confident	88	Confident	91 Å²	91	32.1 Å²	32.1	34%	0.343	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-1.2	-178.5	-78.7	-174.1	-74.5	180	0.2	114.7	L357 S358 G359 R589	L357-R361 HydrophobicContact CB-CB 4.47Å; S358-R361 VanDerWaalsContact O-CG 3.26Å; S358-R361 WeakPolarHBondContact O-CG 3.23Å; S358-R361 PolarHBondContact O-NE 3.08Å; S358-R361 PolarHBondContact OG-NH2 2.58Å; S358-R361 VanDerWaalsContact OG-NH2 3.08Å; G359-R361 PolarHBondContact O-N 3.12Å; R361-R589 WeakPolarHBondContact O-CD 3.03Å; R361-R589 PolarHBondContact O-NE 2.77Å; R361-R589 VanDerWaalsContact O-NE 3.12Å; R361-R589 PolarHBondContact O-NH1 2.04Å
362	M	87.2	Confident	87.9	Confident	2 Å²	2	32 Å²	32	1%	0.01	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.1	24.8	171.3	-58.7	-55.6	-109.4	0	0	112.1	E317 G318 R319 L357 A360 R405	E317-M362 HydrophobicContact CB-CE 3.46Å; E317-M362 VanDerWaalsContact CB-CE 3.46Å; E317-M362 HydrophobicContact CG-CE 3.67Å; G318-M362 VanDerWaalsContact N-CE 3.3Å; R319-M362 HydrophobicContact CB-CB 4.2Å; R319-M362 VanDerWaalsContact N-CB 3.29Å; L357-M362 HydrophobicContact CD1-CE 3.91Å; L357-M362 HydrophobicContact CD1-CG 3.47Å; L357-M362 VanDerWaalsContact CD1-CG 3.47Å; L357-M362 HydrophobicContact CD1-SD 3.47Å; L357-M362 WeakPolarHBondContact CD1-SD 3.36Å; A360-M362 PolarHBondContact O-N 3.03Å; M362-R405 HydrophobicContact CE-CG 4.06Å
363	G	88.6	Confident	87.8	Confident	2 Å²	2	34.1 Å²	34.1	2%	0.021	20%	0.197	C	C	.	.			trans	86.3	154.7	-173.7	0	0	0	0	0	112.1	R319 A360 L587	R319-G363 WeakPolarHBondContact CD-O 3.42Å; R319-G363 PolarHBondContact NH1-O 2.95Å; A360-G363 WeakPolarHBondContact O-CA 3.49Å; A360-G363 PolarHBondContact O-N 2.81Å; G363-L587 CarbonylContact C-O 3.57Å; G363-L587 VanDerWaalsContact CA-O 3.24Å; G363-L587 WeakPolarHBondContact CA-O 3.48Å
364	Q	92.2	Very high	87.9	Confident	27 Å²	27	34.1 Å²	34.1	13%	0.126	20%	0.197	C	C	.	.			trans	-83.2	144.2	177.9	-68.9	179.9	-155.4	0	0	110.9	R319 A360 H398 L587	R319-Q364 VanDerWaalsContact NH1-C 3.33Å; R319-Q364 PolarHBondContact NH1-O 2.85Å; A360-Q364 HydrophobicContact CB-CG 3.58Å; Q364-H398 HydrophobicContact CB-CB 4.21Å; Q364-H398 HydrophobicContact CG-CB 4.48Å; Q364-L587 HydrophobicContact CB-CB 4.01Å; Q364-L587 HydrophobicContact CB-CD1 4.5Å; Q364-L587 HydrophobicContact CB-CD2 4.17Å; Q364-L587 HydrophobicContact CB-CG 4.45Å; Q364-L587 PolarHBondContact N-O 2.86Å
365	G	92.1	Very high	88.1	Confident	2 Å²	2	33.6 Å²	33.6	2%	0.021	20%	0.195	C	C	.	.			trans	-83.4	-179.9	166.2	0	0	0	0	0	112.2	H398 D401 L587	G365-H398 PolarHBondContact O-CD2 3.15Å; G365-H398 VanDerWaalsContact O-CG 3.23Å; G365-H398 PolarHBondContact O-ND1 3.32Å; G365-D401 WeakPolarHBondContact CA-OD2 3.43Å; G365-D401 PolarHBondContact N-OD2 2.89Å; G365-L587 WeakPolarHBondContact O-CD1 3.43Å
366	M	89.3	Confident	88.6	Confident	57 Å²	57	32.4 Å²	32.4	28%	0.281	19%	0.19	S	C	.	.			trans	-133.7	142	172	-176.5	178.7	-72	0	0	109.5	L532 H585 L587 I729	M366-L532 HydrophobicContact CB-CD2 4.16Å; M366-L532 HydrophobicContact CE-CB 4.04Å; M366-H585 HydrophobicContact CE-CB 4.19Å; M366-L587 HydrophobicContact CB-CD1 4.15Å; M366-L587 HydrophobicContact CE-CD1 4.04Å; M366-I729 HydrophobicContact SD-CD1 3.82Å
367	G	88.4	Confident	89	Confident	58 Å²	58	34.5 Å²	34.5	60%	0.598	20%	0.204	S	C	*	.	S	Bend	trans	100.3	-130.4	174	0	0	0	0	0	113	H398	G367-H398 PolarHBondContact N-NE2 2.88Å; G367-H398 VanDerWaalsContact N-NE2 3.17Å; G367-H398 PolarHBondContact O-NE2 3.29Å; G367-H398 VanDerWaalsContact O-NE2 3.12Å
368	A	90	Very high	89.2	Confident	46 Å²	46	34.3 Å²	34.3	38%	0.38	20%	0.203	S	C	.	.			trans	-84.2	137.6	-172.3	0	0	0	0	0	112.2	G329 T330	G329-A368 CarbonylContact C-O 3.55Å; G329-A368 WeakPolarHBondContact CA-O 3.16Å; T330-A368 PolarHBondContact N-O 3.31Å
369	I	92.6	Very high	89.6	Confident	27 Å²	27	38.4 Å²	38.4	14%	0.138	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.6	162.7	-50.6	-178.2	0	0	0	106.7	C332 I391 C396	C332-I369 HydrophobicContact CB-CG2 4.11Å; I369-I391 HydrophobicContact CB-CD1 4.3Å; I369-I391 HydrophobicContact CB-CG2 4.19Å; I369-I391 HydrophobicContact CG2-CD1 3.92Å; I369-I391 HydrophobicContact CG2-CG2 4.27Å; I369-I391 WeakPolarHBondContact O-CG2 3.46Å; I369-C396 HydrophobicContact CD1-CB 4Å; I369-C396 WeakPolarHBondContact CD1-O 3.3Å
370	H	93	Very high	90.2	Very high	17 Å²	17	37.7 Å²	37.7	8%	0.079	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-29.2	-171.3	-78.6	-37.7	0	0	0	114.3	V322 K324 T327 G329 T330	V322-H370 HydrophobicContact CG2-CB 3.68Å; V322-H370 PolarHBondContact O-CD2 3.38Å; K324-H370 HydrophobicContact CB-CB 4.47Å; K324-H370 HydrophobicContact CD-CB 4.24Å; T327-H370 PolarHBondContact O-NE2 3.41Å; G329-H370 WeakPolarHBondContact CA-CD2 3.24Å; G329-H370 PolarHBondContact N-CD2 3.17Å; G329-H370 VanDerWaalsContact N-CD2 3.33Å; T330-H370 PolarHBondContact O-N 2.83Å
371	L	92.9	Very high	90.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	145.8	-173.3	-63.6	179	0	0	0	111	V322 V331 C332 V374 L383 W384 H388	V322-L371 HydrophobicContact CB-CD1 4.42Å; V322-L371 HydrophobicContact CG1-CD1 4.01Å; V322-L371 HydrophobicContact CG2-CD1 3.91Å; V322-L371 HydrophobicContact CG2-CG 4.05Å; V331-L371 HydrophobicContact CB-CB 4.45Å; V331-L371 HydrophobicContact CG1-CB 4Å; V331-L371 HydrophobicContact CG2-CB 4.15Å; V331-L371 HydrophobicContact CG2-CD1 4.15Å; C332-L371 PolarHBondContact N-O 2.94Å; L371-V374 HydrophobicContact CB-CG2 4.04Å; L371-L383 HydrophobicContact CD1-CD2 4.16Å; L371-L383 HydrophobicContact CD1-CG 4.42Å; L371-W384 HydrophobicContact CD1-CH2 4.45Å; L371-W384 HydrophobicContact CD1-CZ3 4.43Å; L371-W384 HydrophobicContact CD2-CE3 4.17Å; L371-W384 HydrophobicContact CD2-CH2 4.1Å; L371-W384 HydrophobicContact CD2-CZ3 3.64Å; L371-W384 HydrophobicContact CG-CH2 4.28Å; L371-W384 HydrophobicContact CG-CZ3 4.28Å; L371-H388 HydrophobicContact CD2-CB 4.2Å; L371-H388 WeakPolarHBondContact CD2-CD2 3.07Å
372	S	90.9	Very high	91	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.014	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-147.3	160.1	170.5	-170.8	0	0	0	0	110.2	V374 K389	S372-V374 VanDerWaalsContact C-N 3.29Å; S372-V374 PolarHBondContact O-N 3.06Å; S372-K389 PolarHBondContact N-O 3.22Å; S372-K389 PolarHBondContact O-N 2.95Å
373	E	89.4	Confident	91.4	Very high	54 Å²	54	40.7 Å²	40.7	25%	0.252	23%	0.225	S	C	.	.	S	Bend	trans	50.8	47.8	-179.5	-64.3	-171.5	-123.9	0	0	112.9	R334 K335 R375 K389	R334-E373 HydrophobicContact CB-CG 4.26Å; R334-E373 VanDerWaalsContact O-CA 3.24Å; R334-E373 WeakPolarHBondContact O-CA 3.23Å; R334-E373 PolarHBondContact O-N 2.78Å; K335-E373 HydrophobicContact CD-CB 4.35Å; K335-E373 HydrophobicContact CD-CG 4.21Å; K335-E373 IonicContact NZ-OE2 2.97Å; K335-E373 PolarHBondContact NZ-OE2 3.06Å; E373-R375 PolarHBondContact O-N 3.47Å; E373-K389 HydrophobicContact CB-CB 4.46Å
374	V	91.9	Very high	91.7	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.006	23%	0.23	C	C	.	.			trans	-74	117.1	-179.1	-176.5	0	0	0	0	109.5	V331 W336 A340 L371 S372 L383 C386 H388	V331-V374 HydrophobicContact CG1-CG2 3.92Å; W336-V374 HydrophobicContact CE3-CB 4.33Å; W336-V374 HydrophobicContact CZ3-CB 4.23Å; W336-V374 HydrophobicContact CZ3-CG1 4.35Å; A340-V374 HydrophobicContact CB-CG1 4.28Å; L371-V374 HydrophobicContact CB-CG2 4.04Å; S372-V374 VanDerWaalsContact C-N 3.29Å; S372-V374 PolarHBondContact O-N 3.06Å; V374-L383 HydrophobicContact CG1-CD1 3.7Å; V374-L383 HydrophobicContact CG1-CG 4.38Å; V374-C386 HydrophobicContact CG1-CB 3.86Å; V374-H388 HydrophobicContact CG2-CB 4.15Å
375	R	90.6	Very high	91.8	Very high	157 Å²	157	48.4 Å²	48.4	59%	0.592	26%	0.256	S	S	*	.			trans	-120.1	91.8	-176.3	-64.1	178.3	70.7	-178.7	3.7	110.1	E373 P387	E373-R375 PolarHBondContact O-N 3.47Å; R375-P387 PolarHBondContact N-O 3.21Å; R375-P387 VanDerWaalsContact O-CD 3.25Å; R375-P387 WeakPolarHBondContact O-CD 3.15Å
376	C	92.6	Very high	91.9	Very high	11 Å²	11	48.5 Å²	48.5	7%	0.074	26%	0.256	C	S	.	.			trans	-88.3	145.7	177.8	-60.4	0	0	0	0	111.4	A340 V343 G378 C386	A340-C376 VanDerWaalsContact CA-SG 3.5Å; A340-C376 HydrophobicContact CB-CB 4.11Å; V343-C376 HydrophobicContact CG2-CB 4.02Å; C376-G378 VanDerWaalsContact C-N 3.31Å; C376-C386 HydrophobicContact CB-CB 4.02Å; C376-C386 WeakPolarHBondContact CB-SG 3.37Å; C376-C386 WeakPolarHBondContact SG-CB 3.47Å; C376-C386 CovalentContact SG-SG 2.03Å; C376-C386 PolarHBondContact SG-SG 2.98Å
377	S	90.9	Very high	92.2	Very high	68 Å²	68	49.8 Å²	49.8	48%	0.476	27%	0.269	S	S	.	.			trans	-77.1	-20	166.2	63.3	0	0	0	0	112.6	T251 E380	T251-S377 WeakPolarHBondContact CG2-O 3.13Å; S377-E380 WeakPolarHBondContact CB-OE1 3.24Å; S377-E380 PolarHBondContact N-OE1 2.96Å; S377-E380 PolarHBondContact N-OE2 2.77Å; S377-E380 PolarHBondContact OG-OE1 2.85Å; S377-E380 PolarHBondContact OG-OE2 3.03Å
378	G	88.3	Confident	92.4	Very high	2 Å²	2	50.2 Å²	50.2	2%	0.021	26%	0.255	C	S	.	.	S	Bend	trans	97.1	-6.6	-177.4	0	0	0	0	0	113.8	R346 C376 E380	R346-G378 PolarHBondContact NH1-O 3.15Å; R346-G378 VanDerWaalsContact NH1-O 3.11Å; R346-G378 PolarHBondContact NH2-O 2.76Å; C376-G378 VanDerWaalsContact C-N 3.31Å; G378-E380 PolarHBondContact N-OE2 3.07Å
379	Q	90.1	Very high	92.3	Very high	129 Å²	129	52.4 Å²	52.4	60%	0.603	26%	0.256	S	S	*	.			trans	-97.2	-9.3	178.1	-62.5	-173.4	-6.5	0	0	113.4	T251	T251-Q379 HydrophobicContact CG2-CG 3.55Å
380	E	94.5	Very high	91.7	Very high	27 Å²	27	56 Å²	56	13%	0.126	28%	0.276	C	S	.	.			trans	-63.9	142.7	-178	-60.5	83.2	177.8	0	0	111.4	V343 R346 S377 G378 K385	V343-E380 HydrophobicContact CG1-CB 4.13Å; V343-E380 HydrophobicContact CG2-CB 4.17Å; R346-E380 PolarHBondContact NH2-O 2.84Å; S377-E380 WeakPolarHBondContact CB-OE1 3.24Å; S377-E380 PolarHBondContact N-OE1 2.96Å; S377-E380 PolarHBondContact N-OE2 2.77Å; S377-E380 PolarHBondContact OG-OE1 2.85Å; S377-E380 PolarHBondContact OG-OE2 3.03Å; G378-E380 PolarHBondContact N-OE2 3.07Å; E380-K385 HydrophobicContact CB-CB 4.27Å; E380-K385 HydrophobicContact CG-CB 4.32Å
381	L	91.7	Very high	90.9	Very high	150 Å²	150	56.7 Å²	56.7	79%	0.785	28%	0.28	S	S	*	.	S	Bend	trans	-84.3	-13.6	176.9	-63.4	177.7	0	0	0	113.2
382	S	93.9	Very high	89.6	Confident	18 Å²	18	60.7 Å²	60.7	13%	0.126	31%	0.305	C	S	.	.	S	Bend	trans	-153.4	146.7	-179.7	174.5	0	0	0	0	110.4	E347 W384 K385	E347-S382 VanDerWaalsContact CD-OG 3.28Å; E347-S382 VanDerWaalsContact OE1-CB 3.26Å; E347-S382 WeakPolarHBondContact OE1-CB 3.06Å; E347-S382 PolarHBondContact OE1-OG 2.98Å; E347-S382 WeakPolarHBondContact OE2-CA 3.31Å; E347-S382 PolarHBondContact OE2-OG 2.72Å; S382-W384 PolarHBondContact O-N 2.9Å; S382-K385 WeakPolarHBondContact O-CB 3.24Å; S382-K385 PolarHBondContact O-N 2.88Å
383	L	95.3	Very high	88.2	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-56.9	-35	178.9	-167.3	64.7	0	0	0	112.4	V307 V320 V322 V331 W336 V344 E347 L371 V374 K385 C386	V307-L383 HydrophobicContact CG2-CB 4.17Å; V320-L383 HydrophobicContact CG1-CD2 4.08Å; V322-L383 HydrophobicContact CG1-CD2 3.86Å; V331-L383 HydrophobicContact CG2-CD2 4.24Å; W336-L383 HydrophobicContact CH2-CD1 4.1Å; W336-L383 HydrophobicContact CH2-CD2 4.44Å; W336-L383 HydrophobicContact CZ3-CD1 4.04Å; V344-L383 HydrophobicContact CG2-CB 4.29Å; V344-L383 HydrophobicContact CG2-CD1 3.83Å; V344-L383 HydrophobicContact CG2-CD2 3.82Å; V344-L383 HydrophobicContact CG2-CG 4.2Å; E347-L383 PolarHBondContact OE2-N 2.78Å; L371-L383 HydrophobicContact CD1-CD2 4.16Å; L371-L383 HydrophobicContact CD1-CG 4.42Å; V374-L383 HydrophobicContact CG1-CD1 3.7Å; V374-L383 HydrophobicContact CG1-CG 4.38Å; L383-K385 PolarHBondContact O-N 3.12Å; L383-K385 VanDerWaalsContact O-N 3.12Å; L383-C386 WeakPolarHBondContact O-CB 3.39Å; L383-C386 PolarHBondContact O-N 3.48Å
384	W	94.1	Very high	87.1	Confident	32 Å²	32	71.8 Å²	71.8	12%	0.121	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-65.7	-12.8	177.3	-71.9	102.1	0	0	0	114.3	R306 V322 L323 K324 L371 S382	R306-W384 PolarHBondContact O-NE1 2.94Å; V322-W384 HydrophobicContact CB-CH2 4.49Å; V322-W384 HydrophobicContact CB-CZ2 3.58Å; V322-W384 HydrophobicContact CG2-CH2 4Å; V322-W384 HydrophobicContact CG2-CZ2 3.55Å; L323-W384 WeakPolarHBondContact O-CZ2 3.11Å; K324-W384 HydrophobicContact CB-CH2 3.83Å; K324-W384 HydrophobicContact CB-CZ2 4.23Å; K324-W384 HydrophobicContact CD-CH2 4.14Å; K324-W384 HydrophobicContact CG-CH2 3.98Å; L371-W384 HydrophobicContact CD1-CH2 4.45Å; L371-W384 HydrophobicContact CD1-CZ3 4.43Å; L371-W384 HydrophobicContact CD2-CE3 4.17Å; L371-W384 HydrophobicContact CD2-CH2 4.1Å; L371-W384 HydrophobicContact CD2-CZ3 3.64Å; L371-W384 HydrophobicContact CG-CH2 4.28Å; L371-W384 HydrophobicContact CG-CZ3 4.28Å; S382-W384 PolarHBondContact O-N 2.9Å
385	K	95.1	Very high	86.1	Confident	159 Å²	159	73.8 Å²	73.8	69%	0.691	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-91.6	-12.2	175.6	-63.5	-61.7	-173.3	179.8	0	112.9	E380 S382 L383	E380-K385 HydrophobicContact CB-CB 4.27Å; E380-K385 HydrophobicContact CG-CB 4.32Å; S382-K385 WeakPolarHBondContact O-CB 3.24Å; S382-K385 PolarHBondContact O-N 2.88Å; L383-K385 PolarHBondContact O-N 3.12Å; L383-K385 VanDerWaalsContact O-N 3.12Å
386	C	94.7	Very high	85.9	Confident	3 Å²	3	66.9 Å²	66.9	2%	0.02	36%	0.36	C	S	.	.	S	Bend	trans	-74.1	142.7	173.3	-57.3	0	0	0	0	110.3	V374 C376 L383 H388	V374-C386 HydrophobicContact CG1-CB 3.86Å; C376-C386 HydrophobicContact CB-CB 4.02Å; C376-C386 WeakPolarHBondContact CB-SG 3.37Å; C376-C386 WeakPolarHBondContact SG-CB 3.47Å; C376-C386 CovalentContact SG-SG 2.03Å; C376-C386 PolarHBondContact SG-SG 2.98Å; L383-C386 WeakPolarHBondContact O-CB 3.39Å; L383-C386 PolarHBondContact O-N 3.48Å; C386-H388 PolarHBondContact O-N 3.43Å; C386-H388 PolarHBondContact O-ND1 3.39Å
387	P	95.6	Very high	85.7	Confident	84 Å²	84	69 Å²	69	55%	0.545	38%	0.375	S	S	.	.			trans	-48.8	129.3	163.5	-27.3	31.6	0	0	0	111.8	R375	R375-P387 PolarHBondContact N-O 3.21Å; R375-P387 VanDerWaalsContact O-CD 3.25Å; R375-P387 WeakPolarHBondContact O-CD 3.15Å
388	H	92.8	Very high	85.7	Confident	67 Å²	67	67.6 Å²	67.6	31%	0.31	36%	0.361	S	S	.	.			trans	-152.6	159.5	-179.4	59.1	-90.3	0	0	0	111	L371 V374 C386	L371-H388 HydrophobicContact CD2-CB 4.2Å; L371-H388 WeakPolarHBondContact CD2-CD2 3.07Å; V374-H388 HydrophobicContact CG2-CB 4.15Å; C386-H388 PolarHBondContact O-N 3.43Å; C386-H388 PolarHBondContact O-ND1 3.39Å
389	K	87.2	Confident	85.6	Confident	92 Å²	92	70.1 Å²	70.1	40%	0.4	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-96.4	140.9	172.7	-163.7	-167.7	172.7	-162.8	0	109.7	S372 E373 D395	S372-K389 PolarHBondContact N-O 3.22Å; S372-K389 PolarHBondContact O-N 2.95Å; E373-K389 HydrophobicContact CB-CB 4.46Å; K389-D395 IonicContact NZ-OD2 3.54Å; K389-D395 PolarHBondContact NZ-OD2 2.94Å
390	N	80.3	Confident	85.6	Confident	103 Å²	103	66.2 Å²	66.2	55%	0.551	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-75.9	132.2	163.7	-75.6	-48.8	0	0	0	108.5	K324	K324-N390 PolarHBondContact NZ-OD1 2.86Å
391	I	76.6	Confident	85.5	Confident	31 Å²	31	65 Å²	65	16%	0.159	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-97.1	147.7	-173.4	-160.4	178.9	0	0	0	112	C332 I369 D395 C396	C332-I391 HydrophobicContact CB-CD1 4.37Å; I369-I391 HydrophobicContact CB-CD1 4.3Å; I369-I391 HydrophobicContact CB-CG2 4.19Å; I369-I391 HydrophobicContact CG2-CD1 3.92Å; I369-I391 HydrophobicContact CG2-CG2 4.27Å; I369-I391 WeakPolarHBondContact O-CG2 3.46Å; I391-D395 HydrophobicContact CD1-CB 4.03Å; I391-D395 HydrophobicContact CG1-CB 3.6Å; I391-C396 HydrophobicContact CD1-CB 3.55Å; I391-C396 VanDerWaalsContact CD1-SG 3.6Å
392	T	65.8	Low	85.6	Confident	85 Å²	85	57.9 Å²	57.9	52%	0.521	32%	0.317	S	S	.	.			trans	-104.1	152.6	162.8	45.9	0	0	0	0	109.4	E394 D395	T392-E394 PolarHBondContact O-N 2.94Å; T392-D395 PolarHBondContact O-N 3.17Å
393	A	61	Low	85.6	Confident	102 Å²	102	57.1 Å²	57.1	84%	0.843	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-19.7	-172.7	0	0	0	0	0	115.2
394	E	65.6	Low	85.5	Confident	187 Å²	187	57.1 Å²	57.1	87%	0.874	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-11.9	179.9	-65.4	162	-174.1	0	0	113.4	T392	T392-E394 PolarHBondContact O-N 2.94Å
395	D	72.4	Confident	85.4	Confident	42 Å²	42	58.6 Å²	58.6	23%	0.225	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-39.7	-174.3	-85.1	-8.2	0	0	0	112.6	R334 K389 I391 T392	R334-D395 PolarHBondContact NH1-O 3.12Å; R334-D395 PolarHBondContact NH2-O 3.19Å; K389-D395 IonicContact NZ-OD2 3.54Å; K389-D395 PolarHBondContact NZ-OD2 2.94Å; I391-D395 HydrophobicContact CD1-CB 4.03Å; I391-D395 HydrophobicContact CG1-CB 3.6Å; T392-D395 PolarHBondContact O-N 3.17Å
396	C	85.8	Confident	85.3	Confident	12 Å²	12	51.6 Å²	51.6	8%	0.081	29%	0.289	C	S	.	.			trans	-141.3	154.2	179.9	-61.5	0	0	0	0	111.4	C332 I369 I391	C332-C396 HydrophobicContact CB-CB 3.76Å; C332-C396 WeakPolarHBondContact CB-SG 3.37Å; C332-C396 WeakPolarHBondContact SG-CB 3.44Å; C332-C396 CovalentContact SG-SG 2.05Å; C332-C396 PolarHBondContact SG-SG 2.71Å; I369-C396 HydrophobicContact CD1-CB 4Å; I369-C396 WeakPolarHBondContact CD1-O 3.3Å; I391-C396 HydrophobicContact CD1-CB 3.55Å; I391-C396 VanDerWaalsContact CD1-SG 3.6Å
397	S	88.3	Confident	85.2	Confident	57 Å²	57	53 Å²	53	40%	0.399	30%	0.296	S	S	.	.			trans	-110.7	167.8	170.2	64.5	0	0	0	0	111.5	S399 Q400	S397-S399 PolarHBondContact O-N 2.87Å; S397-S399 PolarHBondContact OG-OG 2.81Å; S397-Q400 WeakPolarHBondContact O-CB 3.45Å; S397-Q400 PolarHBondContact O-N 2.88Å
398	H	90.6	Very high	84.9	Confident	37 Å²	37	51.8 Å²	51.8	17%	0.171	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-66.1	-17.3	179.5	-76.7	-59.3	0	0	0	114.2	A360 Q364 G365 G367 Q400 D401	A360-H398 WeakPolarHBondContact CB-O 2.84Å; Q364-H398 HydrophobicContact CB-CB 4.21Å; Q364-H398 HydrophobicContact CG-CB 4.48Å; G365-H398 PolarHBondContact O-CD2 3.15Å; G365-H398 VanDerWaalsContact O-CG 3.23Å; G365-H398 PolarHBondContact O-ND1 3.32Å; G367-H398 PolarHBondContact N-NE2 2.88Å; G367-H398 VanDerWaalsContact N-NE2 3.17Å; G367-H398 PolarHBondContact O-NE2 3.29Å; G367-H398 VanDerWaalsContact O-NE2 3.12Å; H398-Q400 PolarHBondContact O-N 3.32Å; H398-Q400 VanDerWaalsContact O-N 3.14Å; H398-D401 IonicContact CG-OD2 3.62Å; H398-D401 IonicContact ND1-OD1 2.82Å; H398-D401 PolarHBondContact ND1-OD1 3.16Å; H398-D401 IonicContact ND1-OD2 3.02Å; H398-D401 PolarHBondContact ND1-OD2 2.83Å; H398-D401 WeakPolarHBondContact O-CB 3.33Å; H398-D401 VanDerWaalsContact O-CG 3.27Å; H398-D401 PolarHBondContact O-N 2.87Å; H398-D401 VanDerWaalsContact O-N 3.16Å
399	S	87.1	Confident	84.7	Confident	55 Å²	55	48.9 Å²	48.9	39%	0.385	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-64.8	-12.6	169.8	64.1	0	0	0	0	112.5	G359 A360 S397	G359-S399 CarbonylContact C-O 3.49Å; G359-S399 WeakPolarHBondContact CA-O 3.26Å; A360-S399 PolarHBondContact N-O 3.34Å; S397-S399 PolarHBondContact O-N 2.87Å; S397-S399 PolarHBondContact OG-OG 2.81Å
400	Q	89.5	Confident	84.7	Confident	48 Å²	48	50.3 Å²	50.3	22%	0.224	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-105.7	17.7	177.9	-52.4	-169	-92.8	0	0	112.7	C332 D333 S397 H398 A402	C332-Q400 CarbonylContact C-O 3.53Å; D333-Q400 VanDerWaalsContact CB-O 3.26Å; D333-Q400 WeakPolarHBondContact CB-O 3.47Å; D333-Q400 PolarHBondContact N-O 3.25Å; S397-Q400 WeakPolarHBondContact O-CB 3.45Å; S397-Q400 PolarHBondContact O-N 2.88Å; H398-Q400 PolarHBondContact O-N 3.32Å; H398-Q400 VanDerWaalsContact O-N 3.14Å; Q400-A402 PolarHBondContact O-N 2.72Å
401	D	92	Very high	84.8	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.005	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-66.4	130.2	178.2	-74.7	-26.8	0	0	0	111.2	R319 T330 A360 G365 H398	R319-D401 HydrophobicContact CG-CB 4.13Å; T330-D401 WeakPolarHBondContact CB-OD1 3.26Å; T330-D401 PolarHBondContact OG1-OD1 3.13Å; A360-D401 WeakPolarHBondContact CA-O 3.32Å; A360-D401 HydrophobicContact CB-CB 4.34Å; A360-D401 PolarHBondContact N-O 3.1Å; A360-D401 VanDerWaalsContact N-O 3.09Å; G365-D401 WeakPolarHBondContact CA-OD2 3.43Å; G365-D401 PolarHBondContact N-OD2 2.89Å; H398-D401 IonicContact CG-OD2 3.62Å; H398-D401 IonicContact ND1-OD1 2.82Å; H398-D401 PolarHBondContact ND1-OD1 3.16Å; H398-D401 IonicContact ND1-OD2 3.02Å; H398-D401 PolarHBondContact ND1-OD2 2.83Å; H398-D401 WeakPolarHBondContact O-CB 3.33Å; H398-D401 VanDerWaalsContact O-CG 3.27Å; H398-D401 PolarHBondContact O-N 2.87Å; H398-D401 VanDerWaalsContact O-N 3.16Å
402	A	93.4	Very high	85	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.255	C	S	.	.			trans	-78.4	144.4	-179.6	0	0	0	0	0	111.8	V320 V331 D333 W336 Q400	V320-A402 PolarHBondContact N-O 3.03Å; V331-A402 HydrophobicContact CB-CB 4.31Å; V331-A402 HydrophobicContact CG1-CB 4.35Å; V331-A402 VanDerWaalsContact O-CB 3.32Å; V331-A402 WeakPolarHBondContact O-CB 3.46Å; V331-A402 PolarHBondContact O-N 3.06Å; D333-A402 HydrophobicContact CB-CB 4.22Å; W336-A402 HydrophobicContact CB-CB 4.49Å; W336-A402 HydrophobicContact CD2-CB 3.81Å; W336-A402 HydrophobicContact CE3-CB 4.33Å; W336-A402 HydrophobicContact CG-CB 3.86Å; Q400-A402 PolarHBondContact O-N 2.72Å
403	G	93.8	Very high	85.7	Confident	3 Å²	3	42.3 Å²	42.3	3%	0.031	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	170	175.9	0	0	0	0	0	112.5	G318 W336 L357	G318-G403 CarbonylContact O-C 3.53Å; G318-G403 WeakPolarHBondContact O-CA 3.45Å; W336-G403 PolarHBondContact NE1-O 2.99Å; L357-G403 PolarHBondContact N-O 3.24Å; L357-G403 PolarHBondContact O-N 2.97Å
404	V	94.5	Very high	86.7	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	155.3	176	-60.7	0	0	0	0	111.6	L309 E317 G318 V320 W336 A341 V344	L309-V404 HydrophobicContact CD1-CG2 3.75Å; L309-V404 HydrophobicContact CD2-CG2 3.48Å; L309-V404 VanDerWaalsContact CD2-CG2 3.48Å; L309-V404 HydrophobicContact CG-CG2 4.28Å; E317-V404 VanDerWaalsContact CA-O 3.24Å; E317-V404 WeakPolarHBondContact CA-O 3.32Å; G318-V404 PolarHBondContact N-O 2.97Å; G318-V404 PolarHBondContact O-N 3.13Å; V320-V404 HydrophobicContact CG2-CB 4.49Å; V320-V404 HydrophobicContact CG2-CG1 3.74Å; V320-V404 HydrophobicContact CG2-CG2 4.16Å; W336-V404 HydrophobicContact CZ2-CG1 3.59Å; A341-V404 HydrophobicContact CB-CB 4.4Å; A341-V404 HydrophobicContact CB-CG1 3.56Å; V344-V404 HydrophobicContact CB-CG1 4.48Å; V344-V404 HydrophobicContact CG1-CG2 4.22Å
405	R	91.7	Very high	87.6	Confident	62 Å²	62	36.3 Å²	36.3	23%	0.234	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	120	159.5	-78.1	170.8	158.4	162.8	-3.7	108.8	E317 A353 R354 E355 L357 M362	E317-R405 HydrophobicContact CB-CB 4.4Å; E317-R405 HydrophobicContact CB-CG 3.68Å; E317-R405 IonicContact OE2-CZ 2.75Å; E317-R405 IonicContact OE2-NE 3.42Å; E317-R405 PolarHBondContact OE2-NE 3.16Å; E317-R405 IonicContact OE2-NH2 2.68Å; A353-R405 CarbonylContact C-O 3.52Å; R354-R405 WeakPolarHBondContact CA-O 3.38Å; R354-R405 WeakPolarHBondContact CB-O 3.39Å; R354-R405 PolarHBondContact N-O 2.87Å; E355-R405 HydrophobicContact CB-CB 4.15Å; E355-R405 PolarHBondContact N-O 3.27Å; E355-R405 PolarHBondContact O-N 2.98Å; E355-R405 IonicContact OE1-NH1 3.74Å; E355-R405 WeakPolarHBondContact OE2-CD 3.39Å; E355-R405 IonicContact OE2-NH1 2.67Å; E355-R405 PolarHBondContact OE2-NH1 2.71Å; E355-R405 VanDerWaalsContact OE2-NH1 3.14Å; L357-R405 HydrophobicContact CD1-CG 4.09Å; M362-R405 HydrophobicContact CE-CG 4.06Å
406	C	93.6	Very high	88.3	Confident	13 Å²	13	39.1 Å²	39.1	9%	0.088	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	151.4	-178.7	-53.5	0	0	0	0	111.3	G316 C345 F350	G316-C406 VanDerWaalsContact O-CB 3.23Å; G316-C406 WeakPolarHBondContact O-CB 3.38Å; G316-C406 PolarHBondContact O-N 2.82Å; G316-C406 PolarHBondContact O-SG 3.22Å; C345-C406 WeakPolarHBondContact CA-SG 3.25Å; C345-C406 HydrophobicContact CB-CB 3.67Å; C345-C406 WeakPolarHBondContact CB-SG 3.4Å; C345-C406 WeakPolarHBondContact SG-CA 3.44Å; C345-C406 WeakPolarHBondContact SG-CB 3.33Å; C345-C406 CovalentContact SG-SG 2.03Å; C345-C406 PolarHBondContact SG-SG 3.19Å; F350-C406 HydrophobicContact CB-CB 3.77Å; F350-C406 HydrophobicContact CD2-CB 4.25Å; F350-C406 HydrophobicContact CG-CB 4.14Å
407	N	90.9	Very high	88.7	Confident	31 Å²	31	38.8 Å²	38.8	17%	0.166	20%	0.198	C	C	.	.			trans	-70	136.1	165.7	-68.3	-42.9	0	0	0	109.5	M216 G218 G351 S352	M216-N407 WeakPolarHBondContact O-CB 3.31Å; G218-N407 VanDerWaalsContact CA-C 3.49Å; G218-N407 WeakPolarHBondContact CA-O 3.19Å; G351-N407 PolarHBondContact N-O 3.02Å; S352-N407 PolarHBondContact O-N 3.28Å; S352-N407 PolarHBondContact O-ND2 3.33Å; S352-N407 PolarHBondContact OG-ND2 2.6Å
408	L	89.6	Confident	88.9	Confident	59 Å²	59	40.6 Å²	40.6	31%	0.309	20%	0.196	S	C	.	.			trans	-118.4	144.9	-179.5	-62.4	-177.7	0	0	0	110.4	Y287 H314 F350	Y287-L408 HydrophobicContact CE2-CD2 4.46Å; H314-L408 HydrophobicContact CB-CD1 4.3Å; F350-L408 HydrophobicContact CB-CD2 4.44Å; F350-L408 HydrophobicContact CD1-CD2 3.21Å; F350-L408 HydrophobicContact CE1-CD2 3.53Å; F350-L408 HydrophobicContact CG-CD2 3.96Å; F350-L408 HydrophobicContact CZ-CD2 4.49Å
409	P	89.8	Confident	89	Confident	7 Å²	7	40.7 Å²	40.7	5%	0.045	20%	0.197	C	C	.	.			trans	-72.5	136.6	179.5	30.4	-33.3	0	0	0	110.8	P183 L217 G218 F219 Y287 T411	P183-P409 HydrophobicContact CB-CB 3.9Å; P183-P409 HydrophobicContact CG-CB 4.24Å; L217-P409 VanDerWaalsContact O-CA 3.24Å; L217-P409 WeakPolarHBondContact O-CA 3.29Å; G218-P409 WeakPolarHBondContact O-CD 3.5Å; F219-P409 HydrophobicContact CD1-CB 4.48Å; F219-P409 HydrophobicContact CE1-CB 3.89Å; F219-P409 HydrophobicContact CE2-CB 4.31Å; F219-P409 HydrophobicContact CZ-CB 3.8Å; Y287-P409 HydrophobicContact CD1-CG 3.65Å; Y287-P409 HydrophobicContact CD2-CG 3.49Å; Y287-P409 VanDerWaalsContact CD2-CG 3.49Å; Y287-P409 HydrophobicContact CE1-CG 3.83Å; Y287-P409 HydrophobicContact CE2-CG 3.68Å; Y287-P409 HydrophobicContact CG-CG 3.47Å; Y287-P409 VanDerWaalsContact CG-CG 3.47Å; P409-T411 PolarHBondContact O-N 3.45Å; P409-T411 VanDerWaalsContact O-N 3.16Å
410	Y	86.3	Confident	89.2	Confident	122 Å²	122	39 Å²	39	48%	0.478	19%	0.185	S	C	.	.			trans	-66.2	114.2	177	177	-101.9	0	0	0	111	L182 P183 E414	L182-Y410 HydrophobicContact CD1-CE1 4.16Å; L182-Y410 HydrophobicContact CD2-CD1 4.21Å; L182-Y410 HydrophobicContact CD2-CE1 4.33Å; P183-Y410 WeakPolarHBondContact CA-O 3.15Å; P183-Y410 WeakPolarHBondContact CB-O 3.48Å; Y410-E414 HydrophobicContact CE2-CG 4.27Å; Y410-E414 WeakPolarHBondContact CE2-OE1 3.31Å
411	T	82.3	Confident	89.2	Confident	40 Å²	40	38.2 Å²	38.2	25%	0.245	19%	0.19	C	C	.	.			trans	-99	-11.6	-179.2	62.5	0	0	0	0	113.3	L182 Y287 P409 A413	L182-T411 VanDerWaalsContact CB-O 3.3Å; L182-T411 WeakPolarHBondContact CB-O 3.45Å; L182-T411 VanDerWaalsContact CD1-O 3.22Å; L182-T411 WeakPolarHBondContact CD1-O 3.16Å; Y287-T411 HydrophobicContact CD1-CG2 3.78Å; Y287-T411 HydrophobicContact CE1-CG2 3.77Å; P409-T411 PolarHBondContact O-N 3.45Å; P409-T411 VanDerWaalsContact O-N 3.16Å; T411-A413 PolarHBondContact O-N 3.5Å; T411-A413 WeakPolarHBondContact OG1-CB 3.47Å; T411-A413 PolarHBondContact OG1-N 2.04Å
412	G	80.5	Confident	88.9	Confident	2 Å²	2	39.4 Å²	39.4	2%	0.021	20%	0.202	C	C	.	.	S	Bend	trans	66.4	8.1	-173.6	0	0	0	0	0	114.6	E414 T415	G412-E414 VanDerWaalsContact C-N 3.27Å; G412-E414 PolarHBondContact O-N 3.33Å; G412-T415 PolarHBondContact O-N 2.95Å; G412-T415 PolarHBondContact O-OG1 2.76Å
413	A	82	Confident	88.6	Confident	8 Å²	8	49.9 Å²	49.9	7%	0.066	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-63.4	-34.3	177.4	0	0	0	0	0	111.9	T411 T415 R416 Q461	T411-A413 PolarHBondContact O-N 3.5Å; T411-A413 WeakPolarHBondContact OG1-CB 3.47Å; T411-A413 PolarHBondContact OG1-N 2.04Å; A413-T415 PolarHBondContact O-N 3.11Å; A413-R416 WeakPolarHBondContact O-CB 3.23Å; A413-R416 PolarHBondContact O-N 3.25Å; A413-R416 VanDerWaalsContact O-N 3.08Å; A413-Q461 HydrophobicContact CB-CG 4.4Å; A413-Q461 PolarHBondContact O-NE2 3.32Å
414	E	81.4	Confident	88.3	Confident	88 Å²	88	52.6 Å²	52.6	41%	0.411	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-56.3	-31.5	176.8	62.5	-135.2	-129.4	0	0	113.6	Y410 G412 R416 I417 Q461	Y410-E414 HydrophobicContact CE2-CG 4.27Å; Y410-E414 WeakPolarHBondContact CE2-OE1 3.31Å; G412-E414 VanDerWaalsContact C-N 3.27Å; G412-E414 PolarHBondContact O-N 3.33Å; E414-R416 VanDerWaalsContact C-N 3.3Å; E414-R416 PolarHBondContact O-N 2.75Å; E414-I417 VanDerWaalsContact O-O 3.1Å; E414-Q461 VanDerWaalsContact CA-O 3.22Å; E414-Q461 WeakPolarHBondContact CA-O 3.3Å; E414-Q461 VanDerWaalsContact CB-O 3.26Å; E414-Q461 WeakPolarHBondContact CB-O 3.38Å
415	T	84.8	Confident	88.1	Confident	75 Å²	75	60.6 Å²	60.6	46%	0.46	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-80.8	-8.2	-178.6	65.7	0	0	0	0	114.1	G412 A413	G412-T415 PolarHBondContact O-N 2.95Å; G412-T415 PolarHBondContact O-OG1 2.76Å; A413-T415 PolarHBondContact O-N 3.11Å
416	R	87.5	Confident	88.1	Confident	101 Å²	101	60.7 Å²	60.7	38%	0.381	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-84.1	-17.5	-179.4	-64.9	-167.8	-174.1	137.4	10.2	113.6	A413 E414 Q433 D500	A413-R416 WeakPolarHBondContact O-CB 3.23Å; A413-R416 PolarHBondContact O-N 3.25Å; A413-R416 VanDerWaalsContact O-N 3.08Å; E414-R416 VanDerWaalsContact C-N 3.3Å; E414-R416 PolarHBondContact O-N 2.75Å; R416-Q433 WeakPolarHBondContact O-CB 3.27Å; R416-Q433 PolarHBondContact O-N 3.47Å; R416-D500 WeakPolarHBondContact CD-OD2 3.35Å; R416-D500 IonicContact NH1-OD2 3.93Å; R416-D500 PolarHBondContact NH1-OD2 2.85Å
417	I	93.2	Very high	88.1	Confident	6 Å²	6	61 Å²	61	3%	0.031	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	157.8	176.3	62.7	166.5	0	0	0	110	E414 V430 E431 V432 A458 Q461 L462 L499	E414-I417 VanDerWaalsContact O-O 3.1Å; I417-V430 HydrophobicContact CB-CG1 4.5Å; I417-E431 CarbonylContact C-O 3.58Å; I417-E431 WeakPolarHBondContact CA-O 3.1Å; I417-V432 HydrophobicContact CG2-CB 4.23Å; I417-V432 HydrophobicContact CG2-CG2 4.12Å; I417-A458 HydrophobicContact CD1-CB 4.37Å; I417-Q461 HydrophobicContact CD1-CB 3.92Å; I417-Q461 VanDerWaalsContact CD1-CD 3.48Å; I417-Q461 HydrophobicContact CD1-CG 3.77Å; I417-Q461 HydrophobicContact CG1-CG 3.95Å; I417-L462 HydrophobicContact CD1-CD1 4.17Å; I417-L462 HydrophobicContact CD1-CD2 4.17Å; I417-L462 HydrophobicContact CD1-CG 3.76Å; I417-L462 HydrophobicContact CG1-CD2 3.8Å; I417-L462 HydrophobicContact CG1-CG 3.97Å; I417-L499 HydrophobicContact CD1-CD1 4.24Å; I417-L499 HydrophobicContact CG2-CD1 4.38Å
418	R	92.8	Very high	88.2	Confident	95 Å²	95	59.5 Å²	59.5	36%	0.358	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	159.7	173.2	68.6	-178.3	-175	178.6	3.2	111.1	E431 W442	R418-E431 HydrophobicContact CG-CB 3.97Å; R418-E431 IonicContact CZ-OE2 3.58Å; R418-E431 VanDerWaalsContact CZ-OE2 3.24Å; R418-E431 PolarHBondContact N-O 3.25Å; R418-E431 IonicContact NE-OE2 2.9Å; R418-E431 PolarHBondContact NE-OE2 3.45Å; R418-E431 IonicContact NH2-OE2 3.48Å; R418-E431 PolarHBondContact NH2-OE2 3.41Å; R418-E431 PolarHBondContact O-N 3.28Å; R418-W442 HydrophobicContact CB-CH2 4.21Å; R418-W442 HydrophobicContact CB-CZ3 4.25Å; R418-W442 HydrophobicContact CG-CE3 4Å; R418-W442 HydrophobicContact CG-CH2 3.93Å; R418-W442 HydrophobicContact CG-CZ2 4.42Å; R418-W442 HydrophobicContact CG-CZ3 3.69Å
419	L	92.8	Very high	88.3	Confident	38 Å²	38	57.4 Å²	57.4	20%	0.199	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	140.7	170.7	-55.4	-176.1	0	0	0	110.6	R429 V430 L462 L464 V522	L419-R429 WeakPolarHBondContact CA-O 3.42Å; L419-V430 HydrophobicContact CD2-CG2 4Å; L419-L462 HydrophobicContact CD1-CD1 3.96Å; L419-L462 HydrophobicContact CD2-CD1 3.65Å; L419-L462 HydrophobicContact CG-CD1 3.6Å; L419-L464 HydrophobicContact CD1-CD1 3.76Å; L419-V522 HydrophobicContact CD1-CG2 4.13Å; L419-V522 HydrophobicContact CD2-CG2 3.44Å; L419-V522 VanDerWaalsContact CD2-CG2 3.44Å; L419-V522 HydrophobicContact CG-CG2 4.45Å
420	S	91.4	Very high	88.5	Confident	20 Å²	20	57.1 Å²	57.1	14%	0.14	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	139.8	-179.2	-174.7	0	0	0	0	111.2	G422 R429 E431 S479	S420-G422 VanDerWaalsContact C-N 3.34Å; S420-G422 PolarHBondContact O-N 3.4Å; S420-R429 PolarHBondContact N-O 2.87Å; S420-R429 PolarHBondContact O-N 3.45Å; S420-R429 PolarHBondContact OG-NH2 3.2Å; S420-E431 WeakPolarHBondContact CB-OE1 3.49Å; S420-E431 PolarHBondContact OG-OE1 3.46Å; S420-E431 VanDerWaalsContact OG-OE1 3.14Å; S420-S479 PolarHBondContact OG-OG 3.08Å
421	G	88.3	Confident	88.8	Confident	31 Å²	31	51.3 Å²	51.3	32%	0.32	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	81.5	-8.5	172.6	0	0	0	0	0	117.6	S479	G421-S479 WeakPolarHBondContact CA-OG 3.47Å; G421-S479 PolarHBondContact N-OG 3Å; G421-S479 VanDerWaalsContact N-OG 3.09Å
422	G	85.9	Confident	89.3	Confident	26 Å²	26	49.7 Å²	49.7	27%	0.268	25%	0.246	S	C	.	.			trans	-64.9	159.9	175.7	0	0	0	0	0	114.4	S420 S424 E427	S420-G422 VanDerWaalsContact C-N 3.34Å; S420-G422 PolarHBondContact O-N 3.4Å; G422-S424 PolarHBondContact O-N 2.99Å; G422-E427 WeakPolarHBondContact CA-O 3.24Å
423	R	87.4	Confident	89.6	Confident	221 Å²	221	52.5 Å²	52.5	83%	0.834	26%	0.259	S	S	*	.	S	Bend	trans	-78.4	-12.5	175.8	-56.5	172.4	-68.5	178.5	-1.6	112.5	E427	R423-E427 WeakPolarHBondContact CB-OE1 3.09Å; R423-E427 WeakPolarHBondContact CG-OE1 3.35Å; R423-E427 IonicContact CZ-OE1 3.9Å; R423-E427 PolarHBondContact N-OE1 2.85Å; R423-E427 IonicContact NE-OE1 2.72Å; R423-E427 PolarHBondContact NE-OE1 2.91Å; R423-E427 IonicContact NH2-OE1 3.8Å; R423-E427 IonicContact NH2-OE2 3.69Å
424	S	88.7	Confident	89.6	Confident	60 Å²	60	54.8 Å²	54.8	42%	0.42	27%	0.269	S	S	.	.	S	Bend	trans	-140.6	170.5	177.4	83.1	0	0	0	0	110.6	G422 H426 E427	G422-S424 PolarHBondContact O-N 2.99Å; S424-H426 PolarHBondContact O-N 3.41Å; S424-H426 PolarHBondContact OG-N 2.79Å; S424-H426 VanDerWaalsContact OG-N 3.15Å; S424-E427 PolarHBondContact O-N 2.76Å
425	Q	88.7	Confident	88.9	Confident	167 Å²	167	52.1 Å²	52.1	78%	0.78	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-11.8	175.3	-62	178.2	10.6	0	0	113.3	L464	Q425-L464 WeakPolarHBondContact O-CD1 3.48Å
426	H	91.6	Very high	87.9	Confident	65 Å²	65	50.9 Å²	50.9	30%	0.301	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-2.2	-178	-63.5	86.6	0	0	0	113.3	S424 I523 C524	S424-H426 PolarHBondContact O-N 3.41Å; S424-H426 PolarHBondContact OG-N 2.79Å; S424-H426 VanDerWaalsContact OG-N 3.15Å; H426-I523 CarbonylContact O-C 3.45Å; H426-I523 WeakPolarHBondContact O-CA 3.41Å; H426-C524 HydrophobicContact CB-CB 4.44Å; H426-C524 PolarHBondContact O-N 2.85Å
427	E	93.5	Very high	86.2	Confident	19 Å²	19	53.4 Å²	53.4	9%	0.089	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	152.7	178.6	61	173.4	-156.6	0	0	111.4	G422 R423 S424 W477 V522 I523	G422-E427 WeakPolarHBondContact CA-O 3.24Å; R423-E427 WeakPolarHBondContact CB-OE1 3.09Å; R423-E427 WeakPolarHBondContact CG-OE1 3.35Å; R423-E427 IonicContact CZ-OE1 3.9Å; R423-E427 PolarHBondContact N-OE1 2.85Å; R423-E427 IonicContact NE-OE1 2.72Å; R423-E427 PolarHBondContact NE-OE1 2.91Å; R423-E427 IonicContact NH2-OE1 3.8Å; R423-E427 IonicContact NH2-OE2 3.69Å; S424-E427 PolarHBondContact O-N 2.76Å; E427-W477 HydrophobicContact CB-CH2 4.37Å; E427-W477 HydrophobicContact CB-CZ2 3.89Å; E427-W477 HydrophobicContact CG-CZ2 4.26Å; E427-V522 WeakPolarHBondContact CA-O 3.41Å; E427-I523 HydrophobicContact CB-CB 4.41Å; E427-I523 HydrophobicContact CB-CG1 3.92Å; E427-I523 HydrophobicContact CB-CG2 4.36Å
428	G	93.1	Very high	84.6	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	154.3	177.5	171.3	0	0	0	0	0	113.9	W477 G521 V522	G428-W477 VanDerWaalsContact C-CE3 3.43Å; G428-W477 WeakPolarHBondContact O-CZ3 3.13Å; G428-G521 WeakPolarHBondContact O-CA 3.02Å; G428-V522 PolarHBondContact N-O 3.35Å; G428-V522 PolarHBondContact O-N 2.84Å
429	R	92.8	Very high	83.5	Confident	15 Å²	15	56.5 Å²	56.5	6%	0.057	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	135.2	171.4	-177.1	176.3	60.9	-102.5	-9.8	109.4	L419 S420 E431 L444 T474 W477 T519	L419-R429 WeakPolarHBondContact CA-O 3.42Å; S420-R429 PolarHBondContact N-O 2.87Å; S420-R429 PolarHBondContact O-N 3.45Å; S420-R429 PolarHBondContact OG-NH2 3.2Å; R429-E431 IonicContact CZ-OE1 3.63Å; R429-E431 IonicContact NE-OE1 3.45Å; R429-E431 IonicContact NH2-OE1 2.79Å; R429-E431 PolarHBondContact NH2-OE1 2.89Å; R429-L444 HydrophobicContact CG-CD2 4.4Å; R429-T474 HydrophobicContact CB-CG2 4.43Å; R429-W477 PolarHBondContact NH1-O 3.28Å; R429-T519 VanDerWaalsContact CD-OG1 3.23Å; R429-T519 WeakPolarHBondContact CD-OG1 3.44Å
430	V	93.9	Very high	82.9	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	119	178.4	-173.8	0	0	0	0	109.3	I417 L419 I445 W450 L499 A520 V522	I417-V430 HydrophobicContact CB-CG1 4.5Å; L419-V430 HydrophobicContact CD2-CG2 4Å; V430-I445 HydrophobicContact CB-CD1 4.21Å; V430-I445 HydrophobicContact CG1-CD1 3.67Å; V430-W450 HydrophobicContact CG2-CZ2 4.31Å; V430-L499 HydrophobicContact CG1-CD1 4.2Å; V430-A520 PolarHBondContact N-O 3.14Å; V430-V522 HydrophobicContact CG2-CB 4.39Å; V430-V522 HydrophobicContact CG2-CG1 3.8Å; V430-V522 HydrophobicContact CG2-CG2 3.86Å
431	E	92.3	Very high	82.7	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.3	174.6	-59.5	-177.2	176.8	0	0	109.3	I417 R418 S420 R429 W442 G443 L444 I482	I417-E431 CarbonylContact C-O 3.58Å; I417-E431 WeakPolarHBondContact CA-O 3.1Å; R418-E431 HydrophobicContact CG-CB 3.97Å; R418-E431 IonicContact CZ-OE2 3.58Å; R418-E431 VanDerWaalsContact CZ-OE2 3.24Å; R418-E431 PolarHBondContact N-O 3.25Å; R418-E431 IonicContact NE-OE2 2.9Å; R418-E431 PolarHBondContact NE-OE2 3.45Å; R418-E431 IonicContact NH2-OE2 3.48Å; R418-E431 PolarHBondContact NH2-OE2 3.41Å; R418-E431 PolarHBondContact O-N 3.28Å; S420-E431 WeakPolarHBondContact CB-OE1 3.49Å; S420-E431 PolarHBondContact OG-OE1 3.46Å; S420-E431 VanDerWaalsContact OG-OE1 3.14Å; R429-E431 IonicContact CZ-OE1 3.63Å; R429-E431 IonicContact NE-OE1 3.45Å; R429-E431 IonicContact NH2-OE1 2.79Å; R429-E431 PolarHBondContact NH2-OE1 2.89Å; E431-W442 HydrophobicContact CB-CE3 4.03Å; E431-W442 WeakPolarHBondContact O-CZ3 3.19Å; E431-G443 CarbonylContact C-O 3.56Å; E431-G443 WeakPolarHBondContact CA-O 3.35Å; E431-L444 HydrophobicContact CG-CD2 3.97Å; E431-I482 WeakPolarHBondContact OE2-CD1 3.36Å
432	V	91.9	Very high	82.7	Confident	6 Å²	6	64.2 Å²	64.2	4%	0.036	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	137.4	179.7	63	0	0	0	0	111	I417 W442 G443 I445 V486 M487	I417-V432 HydrophobicContact CG2-CB 4.23Å; I417-V432 HydrophobicContact CG2-CG2 4.12Å; V432-W442 VanDerWaalsContact C-CE3 3.48Å; V432-W442 WeakPolarHBondContact O-CA 3.31Å; V432-G443 PolarHBondContact N-O 3.31Å; V432-G443 PolarHBondContact O-N 3.31Å; V432-I445 HydrophobicContact CG1-CG1 4.26Å; V432-V486 HydrophobicContact CG1-CG2 3.4Å; V432-V486 VanDerWaalsContact CG1-CG2 3.4Å; V432-M487 HydrophobicContact CG2-CE 4.21Å
433	Q	88.1	Confident	82.9	Confident	62 Å²	62	63 Å²	63	29%	0.29	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	128.2	179	-170.5	178.4	72	0	0	110.3	R416 L440 W442	R416-Q433 WeakPolarHBondContact O-CB 3.27Å; R416-Q433 PolarHBondContact O-N 3.47Å; Q433-L440 HydrophobicContact CG-CB 4.33Å; Q433-L440 HydrophobicContact CG-CD2 4.05Å; Q433-W442 HydrophobicContact CB-CD2 4.39Å; Q433-W442 HydrophobicContact CB-CE3 3.96Å; Q433-W442 HydrophobicContact CB-CH2 3.8Å; Q433-W442 HydrophobicContact CB-CZ2 4.24Å; Q433-W442 HydrophobicContact CB-CZ3 3.65Å; Q433-W442 HydrophobicContact CG-CH2 4.43Å; Q433-W442 HydrophobicContact CG-CZ2 4.4Å
434	I	81.6	Confident	83.1	Confident	55 Å²	55	52.5 Å²	52.5	28%	0.282	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	137	178.1	-61.3	-167.8	0	0	0	109.7	R441 V486	I434-R441 HydrophobicContact CB-CG 4.32Å; I434-R441 PolarHBondContact N-O 3.35Å; I434-R441 PolarHBondContact O-N 3.34Å; I434-R441 VanDerWaalsContact O-O 3.06Å; I434-V486 HydrophobicContact CD1-CB 3.19Å; I434-V486 HydrophobicContact CD1-CG1 3.76Å; I434-V486 HydrophobicContact CD1-CG2 3.21Å; I434-V486 HydrophobicContact CG1-CB 4.5Å; I434-V486 HydrophobicContact CG1-CG2 4.15Å
435	G	66.8	Low	83.3	Confident	33 Å²	33	49.6 Å²	49.6	34%	0.34	29%	0.285	S	S	.	.			trans	-171.5	129.5	168.7	0	0	0	0	0	114.1
436	G	63.3	Low	83.4	Confident	48 Å²	48	41.8 Å²	41.8	50%	0.495	25%	0.249	S	C	.	.	S	Bend	trans	-86.9	-145.5	162.7	0	0	0	0	0	111.6	G438	G436-G438 PolarHBondContact O-N 2.87Å
437	P	51.3	Low	83.4	Confident	155 Å²	155	38.7 Å²	38.7	100%	1.006	24%	0.235	S	C	*	.	S	Bend	trans	-64.3	3.5	178.9	-18.2	30.3	0	0	0	116.1
438	G	60.8	Low	83.2	Confident	43 Å²	43	38.6 Å²	38.6	44%	0.443	24%	0.235	S	C	.	.	S	Bend	trans	-109	-169.7	-178.7	0	0	0	0	0	113.7	G436	G436-G438 PolarHBondContact O-N 2.87Å
439	P	69.8	Low	82.9	Confident	123 Å²	123	43.6 Å²	43.6	80%	0.799	26%	0.262	S	S	*	.			trans	-63.2	139.1	177.5	25.8	-32	0	0	0	111.1
440	L	78.6	Confident	82.9	Confident	87 Å²	87	43 Å²	43	46%	0.455	26%	0.26	S	S	.	.			trans	-63.5	133.5	176.3	-67.2	160.8	0	0	0	109.3	Q433	Q433-L440 HydrophobicContact CG-CB 4.33Å; Q433-L440 HydrophobicContact CG-CD2 4.05Å
441	R	87.4	Confident	82.9	Confident	103 Å²	103	44.2 Å²	44.2	39%	0.389	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	155.4	177	70.1	-172.7	-172.2	95.9	-12.7	110.3	I434 E484	I434-R441 HydrophobicContact CB-CG 4.32Å; I434-R441 PolarHBondContact N-O 3.35Å; I434-R441 PolarHBondContact O-N 3.34Å; I434-R441 VanDerWaalsContact O-O 3.06Å; R441-E484 IonicContact CZ-OE1 4Å; R441-E484 IonicContact CZ-OE2 3.83Å; R441-E484 IonicContact NH1-OE1 3.56Å; R441-E484 PolarHBondContact NH1-OE1 3.33Å; R441-E484 IonicContact NH1-OE2 3Å; R441-E484 PolarHBondContact NH1-OE2 2.97Å; R441-E484 IonicContact NH2-OE1 3.58Å; R441-E484 PolarHBondContact NH2-OE1 3.03Å; R441-E484 IonicContact NH2-OE2 3.2Å
442	W	90	Very high	82.9	Confident	61 Å²	61	44.7 Å²	44.7	23%	0.231	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	143.5	175.7	-67.2	96.5	0	0	0	109.9	R418 E431 V432 Q433 I482	R418-W442 HydrophobicContact CB-CH2 4.21Å; R418-W442 HydrophobicContact CB-CZ3 4.25Å; R418-W442 HydrophobicContact CG-CE3 4Å; R418-W442 HydrophobicContact CG-CH2 3.93Å; R418-W442 HydrophobicContact CG-CZ2 4.42Å; R418-W442 HydrophobicContact CG-CZ3 3.69Å; E431-W442 HydrophobicContact CB-CE3 4.03Å; E431-W442 WeakPolarHBondContact O-CZ3 3.19Å; V432-W442 VanDerWaalsContact C-CE3 3.48Å; V432-W442 WeakPolarHBondContact O-CA 3.31Å; Q433-W442 HydrophobicContact CB-CD2 4.39Å; Q433-W442 HydrophobicContact CB-CE3 3.96Å; Q433-W442 HydrophobicContact CB-CH2 3.8Å; Q433-W442 HydrophobicContact CB-CZ2 4.24Å; Q433-W442 HydrophobicContact CB-CZ3 3.65Å; Q433-W442 HydrophobicContact CG-CH2 4.43Å; Q433-W442 HydrophobicContact CG-CZ2 4.4Å; W442-I482 HydrophobicContact CB-CD1 3.53Å; W442-I482 HydrophobicContact CB-CG1 4.38Å; W442-I482 HydrophobicContact CG-CD1 4.45Å; W442-I482 WeakPolarHBondContact O-CG2 3.47Å
443	G	90	Very high	83	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	171.2	174.1	0	0	0	0	0	111.9	E431 V432	E431-G443 CarbonylContact C-O 3.56Å; E431-G443 WeakPolarHBondContact CA-O 3.35Å; V432-G443 PolarHBondContact N-O 3.31Å; V432-G443 PolarHBondContact O-N 3.31Å
444	L	90.6	Very high	83.3	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	159.6	-174.9	-51.1	-179.2	0	0	0	112	R429 E431 I482 E484 V485 V486 M487 T516 T519	R429-L444 HydrophobicContact CG-CD2 4.4Å; E431-L444 HydrophobicContact CG-CD2 3.97Å; L444-I482 HydrophobicContact CD2-CB 4.4Å; L444-I482 HydrophobicContact CD2-CG2 3.86Å; L444-I482 HydrophobicContact CG-CG2 3.93Å; L444-E484 PolarHBondContact N-O 3.44Å; L444-V485 HydrophobicContact CB-CG2 4.27Å; L444-V485 CarbonylContact O-C 3.53Å; L444-V485 WeakPolarHBondContact O-CA 3.38Å; L444-V486 WeakPolarHBondContact O-CG2 3.34Å; L444-V486 PolarHBondContact O-N 3.06Å; L444-M487 PolarHBondContact O-N 3.32Å; L444-T516 HydrophobicContact CD1-CG2 4.21Å; L444-T519 HydrophobicContact CB-CG2 3.86Å; L444-T519 HydrophobicContact CD1-CG2 3.76Å; L444-T519 HydrophobicContact CG-CG2 4.41Å
445	I	92.4	Very high	84	Confident	0 Å²	0	41 Å²	41	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	134.3	173.5	-50.2	-179.5	0	0	0	108.6	V430 V432 G447 W450 M487 V490 L499 T519 A520	V430-I445 HydrophobicContact CB-CD1 4.21Å; V430-I445 HydrophobicContact CG1-CD1 3.67Å; V432-I445 HydrophobicContact CG1-CG1 4.26Å; I445-G447 PolarHBondContact O-N 3.43Å; I445-W450 HydrophobicContact CD1-CH2 4.35Å; I445-W450 HydrophobicContact CD1-CZ3 4.29Å; I445-W450 HydrophobicContact CG2-CE3 4.2Å; I445-W450 HydrophobicContact CG2-CZ3 3.95Å; I445-M487 WeakPolarHBondContact CA-O 3.09Å; I445-M487 HydrophobicContact CD1-SD 4.12Å; I445-M487 HydrophobicContact CG1-CB 4.2Å; I445-M487 HydrophobicContact CG1-SD 4.36Å; I445-M487 HydrophobicContact CG2-CB 4.29Å; I445-M487 HydrophobicContact CG2-CG 4.36Å; I445-V490 HydrophobicContact CG2-CG2 3.87Å; I445-L499 HydrophobicContact CD1-CD1 3.78Å; I445-T519 CarbonylContact O-C 3.57Å; I445-T519 VanDerWaalsContact O-CA 3.24Å; I445-T519 WeakPolarHBondContact O-CA 3.46Å; I445-T519 VanDerWaalsContact O-CB 3.31Å; I445-T519 WeakPolarHBondContact O-CB 3.41Å; I445-A520 HydrophobicContact CB-CB 3.95Å; I445-A520 HydrophobicContact CG2-CB 4.11Å; I445-A520 PolarHBondContact O-N 2.95Å
446	C	91.8	Very high	85.3	Confident	3 Å²	3	40 Å²	40	2%	0.02	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-59.8	132.3	174.3	178.8	0	0	0	0	109.8	D448 V485 M487 C511	C446-D448 VanDerWaalsContact C-N 3.31Å; C446-D448 PolarHBondContact SG-OD2 2.98Å; C446-V485 HydrophobicContact CB-CG1 3.88Å; C446-M487 PolarHBondContact N-O 3.01Å; C446-C511 HydrophobicContact CB-CB 3.94Å; C446-C511 WeakPolarHBondContact CB-SG 3.49Å; C446-C511 VanDerWaalsContact SG-CA 3.57Å; C446-C511 WeakPolarHBondContact SG-CB 3.43Å; C446-C511 CovalentContact SG-SG 2.05Å; C446-C511 PolarHBondContact SG-SG 2.94Å
447	G	90.7	Very high	86.8	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.22	C	C	.	.			trans	-80.1	-7	180	0	0	0	0	0	114.5	I445 D449 W450 Q472 F518	I445-G447 PolarHBondContact O-N 3.43Å; G447-D449 PolarHBondContact O-N 2.85Å; G447-W450 WeakPolarHBondContact O-CB 3.5Å; G447-W450 PolarHBondContact O-N 2.98Å; G447-Q472 WeakPolarHBondContact O-CB 3.37Å; G447-Q472 VanDerWaalsContact O-CG 3.25Å; G447-Q472 WeakPolarHBondContact O-CG 3.41Å; G447-F518 PolarHBondContact N-O 2.65Å
448	D	90.2	Very high	88.9	Confident	17 Å²	17	30.4 Å²	30.4	9%	0.091	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	130.5	178.3	-67.9	-27.7	0	0	0	110.7	C446 W450 K512 R513	C446-D448 VanDerWaalsContact C-N 3.31Å; C446-D448 PolarHBondContact SG-OD2 2.98Å; D448-W450 PolarHBondContact O-N 2.7Å; D448-W450 VanDerWaalsContact O-N 3.09Å; D448-K512 WeakPolarHBondContact OD2-CA 3.4Å; D448-K512 VanDerWaalsContact OD2-CB 3.31Å; D448-K512 WeakPolarHBondContact OD2-CB 3.29Å; D448-K512 PolarHBondContact OD2-N 3.29Å; D448-R513 IonicContact OD1-NE 2.74Å; D448-R513 IonicContact OD1-NH2 2.7Å
449	D	87.6	Confident	90.5	Very high	105 Å²	105	28.3 Å²	28.3	56%	0.561	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.8	14.1	-178.7	-51.8	-42.2	0	0	0	114.3	G447 G451	G447-D449 PolarHBondContact O-N 2.85Å; D449-G451 PolarHBondContact O-N 2.73Å
450	W	92.6	Very high	91.5	Very high	3 Å²	3	24 Å²	24	1%	0.011	12%	0.118	C	C	.	.			trans	-70.8	116.5	173.4	-174.6	-93.7	0	0	0	110.3	V430 I445 G447 D448 E454 A458 Q472 V490 L499 A520 G521 V522	V430-W450 HydrophobicContact CG2-CZ2 4.31Å; I445-W450 HydrophobicContact CD1-CH2 4.35Å; I445-W450 HydrophobicContact CD1-CZ3 4.29Å; I445-W450 HydrophobicContact CG2-CE3 4.2Å; I445-W450 HydrophobicContact CG2-CZ3 3.95Å; G447-W450 WeakPolarHBondContact O-CB 3.5Å; G447-W450 PolarHBondContact O-N 2.98Å; D448-W450 PolarHBondContact O-N 2.7Å; D448-W450 VanDerWaalsContact O-N 3.09Å; W450-E454 HydrophobicContact CD2-CB 3.8Å; W450-E454 HydrophobicContact CD2-CG 4.49Å; W450-E454 HydrophobicContact CE3-CB 3.66Å; W450-E454 HydrophobicContact CE3-CG 4.05Å; W450-E454 HydrophobicContact CH2-CB 3.84Å; W450-E454 HydrophobicContact CZ2-CB 3.98Å; W450-E454 HydrophobicContact CZ3-CB 3.69Å; W450-E454 HydrophobicContact CZ3-CG 4.24Å; W450-A458 HydrophobicContact CH2-CB 4.43Å; W450-A458 HydrophobicContact CZ2-CB 4.3Å; W450-Q472 HydrophobicContact CB-CG 4.34Å; W450-Q472 VanDerWaalsContact O-CG 3.32Å; W450-Q472 WeakPolarHBondContact O-CG 3.35Å; W450-Q472 PolarHBondContact O-NE2 2.71Å; W450-V490 HydrophobicContact CE3-CB 4.45Å; W450-V490 HydrophobicContact CZ3-CB 4.22Å; W450-V490 HydrophobicContact CZ3-CG1 4.26Å; W450-V490 HydrophobicContact CZ3-CG2 4.45Å; W450-L499 HydrophobicContact CH2-CD1 3.91Å; W450-L499 HydrophobicContact CH2-CD2 3.87Å; W450-L499 HydrophobicContact CZ3-CD2 4.32Å; W450-A520 HydrophobicContact CB-CB 4.33Å; W450-A520 HydrophobicContact CD2-CB 3.37Å; W450-A520 HydrophobicContact CE3-CB 3.6Å; W450-A520 HydrophobicContact CG-CB 3.7Å; W450-A520 HydrophobicContact CH2-CB 4.3Å; W450-A520 HydrophobicContact CZ2-CB 4.11Å; W450-A520 HydrophobicContact CZ3-CB 4.06Å; W450-G521 PolarHBondContact NE1-O 2.74Å; W450-G521 VanDerWaalsContact NE1-O 3.08Å; W450-V522 HydrophobicContact CZ2-CG1 3.78Å
451	G	92.7	Very high	92.2	Very high	24 Å²	24	20.3 Å²	20.3	25%	0.247	10%	0.099	C	C	.	.			trans	-120.4	-165.5	-175.8	0	0	0	0	0	113.7	D449 E454 A455	D449-G451 PolarHBondContact O-N 2.73Å; G451-E454 WeakPolarHBondContact CA-OE2 3.34Å; G451-E454 PolarHBondContact N-OE2 3.26Å; G451-A455 WeakPolarHBondContact O-CB 3.2Å; G451-A455 PolarHBondContact O-N 2.96Å
452	T	92.6	Very high	92.4	Very high	10 Å²	10	17.1 Å²	17.1	6%	0.061	9%	0.089	C	C	.	.	H	α-helix	trans	-67.7	-38.5	179.5	-56	0	0	0	0	111.5	A455 M456 F699 A702 F706	T452-A455 WeakPolarHBondContact O-CB 3.42Å; T452-A455 PolarHBondContact O-N 3.03Å; T452-M456 HydrophobicContact CG2-CG 4.35Å; T452-M456 WeakPolarHBondContact O-CG 3.39Å; T452-M456 PolarHBondContact O-N 3.34Å; T452-F699 WeakPolarHBondContact CB-O 3.17Å; T452-F699 PolarHBondContact OG1-O 2.9Å; T452-A702 HydrophobicContact CG2-CB 3.66Å; T452-F706 HydrophobicContact CG2-CZ 4.31Å
453	L	93.4	Very high	92.4	Very high	31 Å²	31	16.7 Å²	16.7	16%	0.162	10%	0.103	C	C	.	.	H	α-helix	trans	-65.5	-42	-178.6	-62.5	179.3	0	0	0	112.4	A455 M456 V457 F699 F706	L453-A455 VanDerWaalsContact C-N 3.35Å; L453-M456 WeakPolarHBondContact O-CB 3.38Å; L453-M456 PolarHBondContact O-N 3.38Å; L453-V457 PolarHBondContact O-N 3.17Å; L453-F699 HydrophobicContact CD1-CD2 4.16Å; L453-F699 HydrophobicContact CD1-CE2 4.23Å; L453-F699 HydrophobicContact CD1-CG 4.39Å; L453-F699 HydrophobicContact CD2-CD1 4.2Å; L453-F699 HydrophobicContact CD2-CG 4.4Å; L453-F699 HydrophobicContact CG-CG 4.32Å; L453-F706 HydrophobicContact CD2-CD2 4.13Å; L453-F706 HydrophobicContact CD2-CE2 4.1Å
454	E	95.4	Very high	92.4	Very high	15 Å²	15	18.2 Å²	18.2	7%	0.07	11%	0.111	C	C	.	.	H	α-helix	trans	-64.7	-42.1	174.4	-66.4	64.9	-135.5	0	0	111	W450 G451 M456 V457 A458 V490 R491 C492	W450-E454 HydrophobicContact CD2-CB 3.8Å; W450-E454 HydrophobicContact CD2-CG 4.49Å; W450-E454 HydrophobicContact CE3-CB 3.66Å; W450-E454 HydrophobicContact CE3-CG 4.05Å; W450-E454 HydrophobicContact CH2-CB 3.84Å; W450-E454 HydrophobicContact CZ2-CB 3.98Å; W450-E454 HydrophobicContact CZ3-CB 3.69Å; W450-E454 HydrophobicContact CZ3-CG 4.24Å; G451-E454 WeakPolarHBondContact CA-OE2 3.34Å; G451-E454 PolarHBondContact N-OE2 3.26Å; E454-M456 VanDerWaalsContact C-N 3.31Å; E454-M456 PolarHBondContact O-N 2.94Å; E454-V457 PolarHBondContact O-N 2.78Å; E454-A458 PolarHBondContact O-N 3.32Å; E454-V490 HydrophobicContact CG-CB 4.34Å; E454-V490 HydrophobicContact CG-CG1 3.99Å; E454-V490 WeakPolarHBondContact CG-O 3.02Å; E454-R491 WeakPolarHBondContact OE1-CA 3.34Å; E454-C492 HydrophobicContact CG-CB 4.29Å; E454-C492 PolarHBondContact OE1-N 3.26Å
455	A	95.4	Very high	92.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.4	-39.2	175.6	0	0	0	0	0	112.1	G451 T452 L453 V457 A458 C459 A467 V522	G451-A455 WeakPolarHBondContact O-CB 3.2Å; G451-A455 PolarHBondContact O-N 2.96Å; T452-A455 WeakPolarHBondContact O-CB 3.42Å; T452-A455 PolarHBondContact O-N 3.03Å; L453-A455 VanDerWaalsContact C-N 3.35Å; A455-V457 VanDerWaalsContact C-N 3.34Å; A455-V457 PolarHBondContact O-N 3.44Å; A455-A458 PolarHBondContact O-N 3.35Å; A455-C459 WeakPolarHBondContact O-CB 3.24Å; A455-C459 PolarHBondContact O-N 2.66Å; A455-C459 PolarHBondContact O-SG 3.32Å; A455-C459 VanDerWaalsContact O-SG 3.39Å; A455-A467 HydrophobicContact CB-CB 3.64Å; A455-V522 HydrophobicContact CB-CB 4.39Å; A455-V522 HydrophobicContact CB-CG1 3.63Å
456	M	94	Very high	92.5	Very high	13 Å²	13	18.9 Å²	18.9	6%	0.064	12%	0.117	C	C	.	.	H	α-helix	trans	-60.5	-44.2	176.5	-72	-74.1	-77.8	0	0	110.9	T452 L453 E454 R460 Y466 A467 E703	T452-M456 HydrophobicContact CG2-CG 4.35Å; T452-M456 WeakPolarHBondContact O-CG 3.39Å; T452-M456 PolarHBondContact O-N 3.34Å; L453-M456 WeakPolarHBondContact O-CB 3.38Å; L453-M456 PolarHBondContact O-N 3.38Å; E454-M456 VanDerWaalsContact C-N 3.31Å; E454-M456 PolarHBondContact O-N 2.94Å; M456-R460 WeakPolarHBondContact O-CB 3.22Å; M456-R460 PolarHBondContact O-N 3.26Å; M456-Y466 HydrophobicContact CE-CD1 3.83Å; M456-A467 HydrophobicContact CB-CB 4.44Å; M456-A467 HydrophobicContact CG-CB 3.85Å; M456-A467 HydrophobicContact SD-CB 3.68Å; M456-A467 PolarHBondContact SD-N 3.32Å; M456-E703 WeakPolarHBondContact CE-O 3.32Å
457	V	94.5	Very high	92.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65.1	-40.1	176.2	176.5	0	0	0	0	111.1	L453 E454 A455 Q461 C492 E496 L499	L453-V457 PolarHBondContact O-N 3.17Å; E454-V457 PolarHBondContact O-N 2.78Å; A455-V457 VanDerWaalsContact C-N 3.34Å; A455-V457 PolarHBondContact O-N 3.44Å; V457-Q461 WeakPolarHBondContact O-CB 3.22Å; V457-Q461 PolarHBondContact O-N 2.76Å; V457-C492 HydrophobicContact CG2-CB 3.85Å; V457-E496 HydrophobicContact CG1-CB 4.03Å; V457-E496 HydrophobicContact CG2-CB 4.05Å; V457-L499 HydrophobicContact CB-CD2 4.09Å; V457-L499 HydrophobicContact CG1-CD2 3.92Å; V457-L499 HydrophobicContact CG1-CG 4.35Å
458	A	95.6	Very high	92.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.1	-48.8	177.5	0	0	0	0	0	112.6	I417 W450 E454 A455 R460 Q461 L462 L499 V522	I417-A458 HydrophobicContact CD1-CB 4.37Å; W450-A458 HydrophobicContact CH2-CB 4.43Å; W450-A458 HydrophobicContact CZ2-CB 4.3Å; E454-A458 PolarHBondContact O-N 3.32Å; A455-A458 PolarHBondContact O-N 3.35Å; A458-R460 VanDerWaalsContact C-N 3.33Å; A458-R460 PolarHBondContact O-N 3.23Å; A458-Q461 PolarHBondContact O-N 2.84Å; A458-L462 WeakPolarHBondContact O-CG 3.4Å; A458-L462 PolarHBondContact O-N 2.81Å; A458-L499 HydrophobicContact CB-CD1 4.09Å; A458-L499 HydrophobicContact CB-CD2 4.32Å; A458-L499 HydrophobicContact CB-CG 4.42Å; A458-V522 HydrophobicContact CB-CG1 4.04Å
459	C	95.1	Very high	92.5	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.9	-41.4	177.9	-68.8	0	0	0	0	111.7	A455 L462 G463 L464 G465 C524	A455-C459 WeakPolarHBondContact O-CB 3.24Å; A455-C459 PolarHBondContact O-N 2.66Å; A455-C459 PolarHBondContact O-SG 3.32Å; A455-C459 VanDerWaalsContact O-SG 3.39Å; C459-L462 PolarHBondContact O-N 2.59Å; C459-G463 PolarHBondContact O-N 2.83Å; C459-L464 PolarHBondContact O-N 2.79Å; C459-G465 CarbonylContact C-O 3.52Å; C459-C524 VanDerWaalsContact CA-SG 3.5Å; C459-C524 HydrophobicContact CB-CB 3.75Å; C459-C524 WeakPolarHBondContact CB-SG 3.32Å; C459-C524 WeakPolarHBondContact SG-CA 3.36Å; C459-C524 WeakPolarHBondContact SG-CB 3.47Å; C459-C524 CovalentContact SG-SG 2.04Å; C459-C524 PolarHBondContact SG-SG 3.43Å
460	R	91.8	Very high	92.7	Very high	32 Å²	32	19.2 Å²	19.2	12%	0.121	12%	0.118	C	C	.	.	H	α-helix	trans	-62.7	-46.5	173.1	-179.3	-172	-53.6	157.4	12.4	112.4	A313 H314 M456 A458 L462 G463 G465 G494 T495 E496	A313-R460 WeakPolarHBondContact O-CD 3.15Å; A313-R460 WeakPolarHBondContact O-CG 3.46Å; A313-R460 PolarHBondContact O-NE 2.92Å; H314-R460 PolarHBondContact CE1-O 3.09Å; M456-R460 WeakPolarHBondContact O-CB 3.22Å; M456-R460 PolarHBondContact O-N 3.26Å; A458-R460 VanDerWaalsContact C-N 3.33Å; A458-R460 PolarHBondContact O-N 3.23Å; R460-L462 PolarHBondContact O-N 3.14Å; R460-G463 PolarHBondContact O-N 2.88Å; R460-G463 VanDerWaalsContact O-N 3.09Å; R460-G465 PolarHBondContact N-O 2.84Å; R460-G494 PolarHBondContact NH1-O 2.76Å; R460-G494 PolarHBondContact NH2-O 3.33Å; R460-T495 PolarHBondContact NH1-O 2.86Å; R460-E496 PolarHBondContact NH1-O 2.97Å
461	Q	92.8	Very high	92.7	Very high	9 Å²	9	20.9 Å²	20.9	4%	0.042	13%	0.127	C	C	.	.	H	α-helix	trans	-61.3	-32.9	179.3	177.4	177.1	-4.1	0	0	111.5	A413 E414 I417 V457 A458 S498	A413-Q461 HydrophobicContact CB-CG 4.4Å; A413-Q461 PolarHBondContact O-NE2 3.32Å; E414-Q461 VanDerWaalsContact CA-O 3.22Å; E414-Q461 WeakPolarHBondContact CA-O 3.3Å; E414-Q461 VanDerWaalsContact CB-O 3.26Å; E414-Q461 WeakPolarHBondContact CB-O 3.38Å; I417-Q461 HydrophobicContact CD1-CB 3.92Å; I417-Q461 VanDerWaalsContact CD1-CD 3.48Å; I417-Q461 HydrophobicContact CD1-CG 3.77Å; I417-Q461 HydrophobicContact CG1-CG 3.95Å; V457-Q461 WeakPolarHBondContact O-CB 3.22Å; V457-Q461 PolarHBondContact O-N 2.76Å; A458-Q461 PolarHBondContact O-N 2.84Å; Q461-S498 VanDerWaalsContact OE1-CA 3.22Å
462	L	91.8	Very high	92.6	Very high	37 Å²	37	23.5 Å²	23.5	19%	0.194	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-9.1	177.1	-71.2	164.8	0	0	0	114.4	I417 L419 A458 C459 R460 L464	I417-L462 HydrophobicContact CD1-CD1 4.17Å; I417-L462 HydrophobicContact CD1-CD2 4.17Å; I417-L462 HydrophobicContact CD1-CG 3.76Å; I417-L462 HydrophobicContact CG1-CD2 3.8Å; I417-L462 HydrophobicContact CG1-CG 3.97Å; L419-L462 HydrophobicContact CD1-CD1 3.96Å; L419-L462 HydrophobicContact CD2-CD1 3.65Å; L419-L462 HydrophobicContact CG-CD1 3.6Å; A458-L462 WeakPolarHBondContact O-CG 3.4Å; A458-L462 PolarHBondContact O-N 2.81Å; C459-L462 PolarHBondContact O-N 2.59Å; R460-L462 PolarHBondContact O-N 3.14Å; L462-L464 VanDerWaalsContact C-N 3.34Å; L462-L464 HydrophobicContact CB-CB 4.46Å; L462-L464 HydrophobicContact CB-CD1 3.78Å; L462-L464 HydrophobicContact CB-CG 3.82Å; L462-L464 HydrophobicContact CD1-CD1 4.01Å; L462-L464 HydrophobicContact CG-CD1 4.49Å
463	G	89.6	Confident	92.4	Very high	51 Å²	51	26.5 Å²	26.5	53%	0.526	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	23	-174.1	0	0	0	0	0	114.1	C459 R460	C459-G463 PolarHBondContact O-N 2.83Å; R460-G463 PolarHBondContact O-N 2.88Å; R460-G463 VanDerWaalsContact O-N 3.09Å
464	L	90.8	Very high	92.1	Very high	32 Å²	32	25.1 Å²	25.1	17%	0.168	14%	0.139	C	C	.	.			trans	-103.8	17.1	-174.5	-61.2	175.2	0	0	0	113.4	L419 Q425 C459 L462 C524	L419-L464 HydrophobicContact CD1-CD1 3.76Å; Q425-L464 WeakPolarHBondContact O-CD1 3.48Å; C459-L464 PolarHBondContact O-N 2.79Å; L462-L464 VanDerWaalsContact C-N 3.34Å; L462-L464 HydrophobicContact CB-CB 4.46Å; L462-L464 HydrophobicContact CB-CD1 3.78Å; L462-L464 HydrophobicContact CB-CG 3.82Å; L462-L464 HydrophobicContact CD1-CD1 4.01Å; L462-L464 HydrophobicContact CG-CD1 4.49Å; L464-C524 HydrophobicContact CB-CB 3.72Å; L464-C524 HydrophobicContact CD1-CB 4.48Å
465	G	90.5	Very high	91.5	Very high	10 Å²	10	32 Å²	32	10%	0.103	17%	0.165	C	C	.	.			trans	80.8	-137.2	179.8	0	0	0	0	0	113.8	A313 C459 R460 S525	A313-G465 VanDerWaalsContact CB-C 3.48Å; C459-G465 CarbonylContact C-O 3.52Å; R460-G465 PolarHBondContact N-O 2.84Å; G465-S525 CarbonylContact C-O 3.51Å
466	Y	93.1	Very high	90.9	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.016	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	160.9	-178.9	-51.9	-84.4	0	0	0	111.1	G311 G312 A313 M456 C524 S525 E526 A528	G311-Y466 PolarHBondContact O-OH 3.29Å; G312-Y466 VanDerWaalsContact C-OH 3.23Å; G312-Y466 WeakPolarHBondContact CA-OH 3.43Å; A313-Y466 VanDerWaalsContact CA-CE1 3.41Å; A313-Y466 HydrophobicContact CB-CD1 3.81Å; A313-Y466 HydrophobicContact CB-CD2 4.08Å; A313-Y466 HydrophobicContact CB-CE1 3.62Å; A313-Y466 HydrophobicContact CB-CE2 3.89Å; A313-Y466 HydrophobicContact CB-CG 4.04Å; A313-Y466 VanDerWaalsContact N-CE1 3.31Å; A313-Y466 VanDerWaalsContact N-CZ 3.31Å; A313-Y466 PolarHBondContact N-OH 3.44Å; M456-Y466 HydrophobicContact CE-CD1 3.83Å; Y466-C524 CarbonylContact O-C 3.51Å; Y466-C524 WeakPolarHBondContact O-CA 3.12Å; Y466-S525 PolarHBondContact N-O 3.26Å; Y466-S525 PolarHBondContact O-N 3.09Å; Y466-E526 WeakPolarHBondContact CE2-O 3.27Å; Y466-A528 HydrophobicContact CD1-CB 4.11Å; Y466-A528 HydrophobicContact CD2-CB 4.03Å; Y466-A528 HydrophobicContact CG-CB 3.74Å
467	A	93.9	Very high	90.3	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.008	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	141.7	160.7	0	0	0	0	0	109.4	A455 M456 A702	A455-A467 HydrophobicContact CB-CB 3.64Å; M456-A467 HydrophobicContact CB-CB 4.44Å; M456-A467 HydrophobicContact CG-CB 3.85Å; M456-A467 HydrophobicContact SD-CB 3.68Å; M456-A467 PolarHBondContact SD-N 3.32Å; A467-A702 WeakPolarHBondContact O-CB 3.23Å
468	N	90.7	Very high	88.9	Confident	72 Å²	72	43.8 Å²	43.8	39%	0.385	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-43.1	162	-171.3	24.6	0	0	0	109.6	I523	N468-I523 HydrophobicContact CB-CG2 4.25Å; N468-I523 PolarHBondContact N-O 3.24Å
469	H	89.3	Confident	87.2	Confident	54 Å²	54	46.6 Å²	46.6	25%	0.25	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	137.5	177.8	-62.3	-60.6	0	0	0	113.1	V522 I523	H469-V522 WeakPolarHBondContact O-CA 3.41Å; H469-I523 HydrophobicContact CB-CB 4.31Å; H469-I523 HydrophobicContact CB-CD1 4.38Å; H469-I523 PolarHBondContact N-O 2.82Å; H469-I523 PolarHBondContact O-N 2.02Å
470	G	91.8	Very high	85.6	Confident	5 Å²	5	48.5 Å²	48.5	5%	0.052	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	126.3	161.4	0	0	0	0	0	110.8
471	L	91.6	Very high	84.6	Confident	38 Å²	38	55.2 Å²	55.2	20%	0.199	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	127.6	-172.8	-63.8	156.3	0	0	0	110.3	Y476 W477 A520 G521 I523	L471-Y476 VanDerWaalsContact CD1-OH 3.25Å; L471-Y476 WeakPolarHBondContact CD1-OH 3.18Å; L471-W477 HydrophobicContact CD1-CH2 3.19Å; L471-W477 HydrophobicContact CD1-CZ2 4.21Å; L471-W477 HydrophobicContact CD1-CZ3 3.58Å; L471-A520 WeakPolarHBondContact O-CA 3.42Å; L471-G521 PolarHBondContact N-O 2.99Å; L471-G521 PolarHBondContact O-N 2.94Å; L471-I523 HydrophobicContact CD1-CD1 3.99Å; L471-I523 HydrophobicContact CD1-CG1 3.84Å
472	Q	91.3	Very high	84.1	Confident	79 Å²	79	56.3 Å²	56.3	37%	0.369	30%	0.303	S	S	.	.	S	Bend	trans	-87.6	-16.8	177.9	-59.2	-171.8	0.2	0	0	112.6	G447 W450 F518	G447-Q472 WeakPolarHBondContact O-CB 3.37Å; G447-Q472 VanDerWaalsContact O-CG 3.25Å; G447-Q472 WeakPolarHBondContact O-CG 3.41Å; W450-Q472 HydrophobicContact CB-CG 4.34Å; W450-Q472 VanDerWaalsContact O-CG 3.32Å; W450-Q472 WeakPolarHBondContact O-CG 3.35Å; W450-Q472 PolarHBondContact O-NE2 2.71Å; Q472-F518 CarbonylContact O-C 3.41Å
473	E	88.4	Confident	83.6	Confident	74 Å²	74	59.5 Å²	59.5	35%	0.346	33%	0.325	S	S	.	.			trans	-131.8	130.2	-177.6	-56.3	-170.1	-175.8	0	0	110.5	Y476 R513 R517 F518	E473-Y476 VanDerWaalsContact O-CE1 3.25Å; E473-Y476 WeakPolarHBondContact O-CE1 3.42Å; E473-Y476 PolarHBondContact O-OH 3.47Å; E473-R513 IonicContact OE1-CZ 2.91Å; E473-R513 IonicContact OE1-NH1 3.55Å; E473-R513 PolarHBondContact OE1-NH1 3.39Å; E473-R517 CarbonylContact C-O 3.58Å; E473-R517 VanDerWaalsContact CA-O 3.27Å; E473-R517 WeakPolarHBondContact CA-O 3.37Å; E473-F518 HydrophobicContact CG-CD1 3.85Å; E473-F518 HydrophobicContact CG-CE1 4.27Å; E473-F518 WeakPolarHBondContact OE1-CE1 3.36Å
474	T	87.6	Confident	83.4	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.006	32%	0.321	C	S	.	.			trans	-132.4	25.2	-171.5	56.7	0	0	0	0	112.4	R429 Y476 W477 R517 T519	R429-T474 HydrophobicContact CB-CG2 4.43Å; T474-Y476 PolarHBondContact O-N 2.82Å; T474-Y476 VanDerWaalsContact O-N 3.13Å; T474-W477 HydrophobicContact CG2-CE3 3.61Å; T474-W477 HydrophobicContact CG2-CZ3 3.72Å; T474-W477 PolarHBondContact O-N 2.92Å; T474-W477 VanDerWaalsContact O-N 3.16Å; T474-R517 PolarHBondContact N-O 3.19Å; T474-T519 WeakPolarHBondContact CG2-O 3.49Å; T474-T519 PolarHBondContact OG1-O 2.67Å; T474-T519 PolarHBondContact OG1-OG1 3.15Å
475	W	82.4	Confident	83.3	Confident	161 Å²	161	61.7 Å²	61.7	61%	0.61	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.8	-177	62.4	-97.6	0	0	0	114.1	R517	W475-R517 HydrophobicContact CB-CB 3.8Å; W475-R517 HydrophobicContact CB-CG 3.64Å
476	Y	82.5	Confident	83.2	Confident	97 Å²	97	62.3 Å²	62.3	38%	0.38	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-13.1	-179.2	50.4	-89.2	0	0	0	113.6	L471 E473 T474 D478	L471-Y476 VanDerWaalsContact CD1-OH 3.25Å; L471-Y476 WeakPolarHBondContact CD1-OH 3.18Å; E473-Y476 VanDerWaalsContact O-CE1 3.25Å; E473-Y476 WeakPolarHBondContact O-CE1 3.42Å; E473-Y476 PolarHBondContact O-OH 3.47Å; T474-Y476 PolarHBondContact O-N 2.82Å; T474-Y476 VanDerWaalsContact O-N 3.13Å; Y476-D478 PolarHBondContact O-N 2.77Å
477	W	80.9	Confident	83.1	Confident	13 Å²	13	62.9 Å²	62.9	5%	0.049	33%	0.327	C	S	.	.			trans	-93.9	76.3	171.4	-68.8	-40	0	0	0	109.7	E427 G428 R429 L471 T474 S479 I523	E427-W477 HydrophobicContact CB-CH2 4.37Å; E427-W477 HydrophobicContact CB-CZ2 3.89Å; E427-W477 HydrophobicContact CG-CZ2 4.26Å; G428-W477 VanDerWaalsContact C-CE3 3.43Å; G428-W477 WeakPolarHBondContact O-CZ3 3.13Å; R429-W477 PolarHBondContact NH1-O 3.28Å; L471-W477 HydrophobicContact CD1-CH2 3.19Å; L471-W477 HydrophobicContact CD1-CZ2 4.21Å; L471-W477 HydrophobicContact CD1-CZ3 3.58Å; T474-W477 HydrophobicContact CG2-CE3 3.61Å; T474-W477 HydrophobicContact CG2-CZ3 3.72Å; T474-W477 PolarHBondContact O-N 2.92Å; T474-W477 VanDerWaalsContact O-N 3.16Å; W477-S479 PolarHBondContact O-N 3.46Å; W477-I523 HydrophobicContact CH2-CG1 4.15Å; W477-I523 HydrophobicContact CZ2-CG1 4.42Å
478	D	64.6	Low	82.9	Confident	150 Å²	150	62.8 Å²	62.8	80%	0.802	33%	0.326	S	S	*	.			trans	-86.7	100	-177.8	-163.8	16	0	0	0	110.8	Y476	Y476-D478 PolarHBondContact O-N 2.77Å
479	S	60.3	Low	82.9	Confident	59 Å²	59	60.3 Å²	60.3	41%	0.413	32%	0.317	S	S	.	.			trans	-167.6	47.4	177.7	71.9	0	0	0	0	114.8	S420 G421 W477	S420-S479 PolarHBondContact OG-OG 3.08Å; G421-S479 WeakPolarHBondContact CA-OG 3.47Å; G421-S479 PolarHBondContact N-OG 3Å; G421-S479 VanDerWaalsContact N-OG 3.09Å; W477-S479 PolarHBondContact O-N 3.46Å
480	G	61.2	Low	83.1	Confident	39 Å²	39	57.9 Å²	57.9	40%	0.402	31%	0.307	S	S	.	.			trans	-160.3	135.7	175.3	0	0	0	0	0	116.1	I482	G480-I482 PolarHBondContact O-N 3.19Å; G480-I482 VanDerWaalsContact O-N 3.16Å
481	N	72.6	Confident	83.2	Confident	173 Å²	173	66.4 Å²	66.4	93%	0.925	34%	0.337	S	S	*	.	S	Bend	trans	-69.7	3.2	165.7	-76.4	-12	0	0	0	113.1
482	I	81.3	Confident	83.3	Confident	33 Å²	33	65.1 Å²	65.1	17%	0.169	33%	0.332	C	S	.	.			trans	-91.9	116.5	-175.3	-58.3	158.7	0	0	0	107.7	E431 W442 L444 G480	E431-I482 WeakPolarHBondContact OE2-CD1 3.36Å; W442-I482 HydrophobicContact CB-CD1 3.53Å; W442-I482 HydrophobicContact CB-CG1 4.38Å; W442-I482 HydrophobicContact CG-CD1 4.45Å; W442-I482 WeakPolarHBondContact O-CG2 3.47Å; L444-I482 HydrophobicContact CD2-CB 4.4Å; L444-I482 HydrophobicContact CD2-CG2 3.86Å; L444-I482 HydrophobicContact CG-CG2 3.93Å; G480-I482 PolarHBondContact O-N 3.19Å; G480-I482 VanDerWaalsContact O-N 3.16Å
483	T	81	Confident	83.3	Confident	104 Å²	104	66 Å²	66	64%	0.638	34%	0.342	S	S	*	.			trans	-117.3	-15.7	-178.7	56.7	0	0	0	0	113.3	T516	T483-T516 HydrophobicContact CG2-CG2 3.94Å
484	E	85.9	Confident	83.2	Confident	97 Å²	97	63.1 Å²	63.1	45%	0.453	33%	0.332	S	S	.	.			trans	-81.8	124.2	-173.4	-167.9	-174.7	152	0	0	111.4	R441 L444 V486	R441-E484 IonicContact CZ-OE1 4Å; R441-E484 IonicContact CZ-OE2 3.83Å; R441-E484 IonicContact NH1-OE1 3.56Å; R441-E484 PolarHBondContact NH1-OE1 3.33Å; R441-E484 IonicContact NH1-OE2 3Å; R441-E484 PolarHBondContact NH1-OE2 2.97Å; R441-E484 IonicContact NH2-OE1 3.58Å; R441-E484 PolarHBondContact NH2-OE1 3.03Å; R441-E484 IonicContact NH2-OE2 3.2Å; L444-E484 PolarHBondContact N-O 3.44Å; E484-V486 HydrophobicContact CB-CG1 4.36Å; E484-V486 HydrophobicContact CG-CG1 3.89Å
485	V	88.2	Confident	83.1	Confident	32 Å²	32	68.3 Å²	68.3	19%	0.194	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	124.1	169.3	178.9	0	0	0	0	108.9	L444 C446 T519	L444-V485 HydrophobicContact CB-CG2 4.27Å; L444-V485 CarbonylContact O-C 3.53Å; L444-V485 WeakPolarHBondContact O-CA 3.38Å; C446-V485 HydrophobicContact CB-CG1 3.88Å; V485-T519 HydrophobicContact CG2-CG2 4.13Å
486	V	88.8	Confident	83.4	Confident	23 Å²	23	61.7 Å²	61.7	14%	0.139	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	-11.2	-168.8	-61.8	0	0	0	0	113.8	V432 I434 L444 E484 T509	V432-V486 HydrophobicContact CG1-CG2 3.4Å; V432-V486 VanDerWaalsContact CG1-CG2 3.4Å; I434-V486 HydrophobicContact CD1-CB 3.19Å; I434-V486 HydrophobicContact CD1-CG1 3.76Å; I434-V486 HydrophobicContact CD1-CG2 3.21Å; I434-V486 HydrophobicContact CG1-CB 4.5Å; I434-V486 HydrophobicContact CG1-CG2 4.15Å; L444-V486 WeakPolarHBondContact O-CG2 3.34Å; L444-V486 PolarHBondContact O-N 3.06Å; E484-V486 HydrophobicContact CB-CG1 4.36Å; E484-V486 HydrophobicContact CG-CG1 3.89Å; V486-T509 VanDerWaalsContact C-CG2 3.45Å; V486-T509 WeakPolarHBondContact O-CG2 3.17Å
487	M	90.2	Very high	83.6	Confident	15 Å²	15	58.7 Å²	58.7	7%	0.074	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	140.3	175.1	-174.2	-179.1	-78.3	0	0	108.8	V432 L444 I445 C446 V490	V432-M487 HydrophobicContact CG2-CE 4.21Å; L444-M487 PolarHBondContact O-N 3.32Å; I445-M487 WeakPolarHBondContact CA-O 3.09Å; I445-M487 HydrophobicContact CD1-SD 4.12Å; I445-M487 HydrophobicContact CG1-CB 4.2Å; I445-M487 HydrophobicContact CG1-SD 4.36Å; I445-M487 HydrophobicContact CG2-CB 4.29Å; I445-M487 HydrophobicContact CG2-CG 4.36Å; C446-M487 PolarHBondContact N-O 3.01Å; M487-V490 HydrophobicContact CG-CG2 3.61Å; M487-V490 HydrophobicContact SD-CG2 3.67Å
488	S	91.4	Very high	84.1	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.329	C	S	.	.			trans	-152.6	158.7	-177.7	65.6	0	0	0	0	111.8	V490 H505 T509 T510	S488-V490 VanDerWaalsContact C-N 3.27Å; S488-V490 PolarHBondContact O-N 2.85Å; S488-H505 WeakPolarHBondContact O-CB 3.47Å; S488-H505 PolarHBondContact O-N 3Å; S488-H505 PolarHBondContact O-ND1 3.18Å; S488-H505 PolarHBondContact OG-ND1 3.05Å; S488-T509 WeakPolarHBondContact OG-CA 3.1Å; S488-T510 WeakPolarHBondContact CB-O 3.41Å; S488-T510 PolarHBondContact OG-N 3.45Å; S488-T510 VanDerWaalsContact OG-N 3.07Å; S488-T510 PolarHBondContact OG-O 2.92Å
489	G	90.1	Very high	85.4	Confident	19 Å²	19	51.2 Å²	51.2	20%	0.196	29%	0.292	C	S	.	.			trans	63.2	33.4	178.8	0	0	0	0	0	113	R491 A503	G489-R491 PolarHBondContact O-N 2.94Å; G489-A503 VanDerWaalsContact O-O 3.13Å
490	V	93.2	Very high	86.8	Confident	4 Å²	4	51.3 Å²	51.3	2%	0.024	29%	0.287	C	S	.	.			trans	-69.8	121.9	179.5	-173.2	0	0	0	0	108.3	I445 W450 E454 M487 S488 L499 C502 A503 H504	I445-V490 HydrophobicContact CG2-CG2 3.87Å; W450-V490 HydrophobicContact CE3-CB 4.45Å; W450-V490 HydrophobicContact CZ3-CB 4.22Å; W450-V490 HydrophobicContact CZ3-CG1 4.26Å; W450-V490 HydrophobicContact CZ3-CG2 4.45Å; E454-V490 HydrophobicContact CG-CB 4.34Å; E454-V490 HydrophobicContact CG-CG1 3.99Å; E454-V490 WeakPolarHBondContact CG-O 3.02Å; M487-V490 HydrophobicContact CG-CG2 3.61Å; M487-V490 HydrophobicContact SD-CG2 3.67Å; S488-V490 VanDerWaalsContact C-N 3.27Å; S488-V490 PolarHBondContact O-N 2.85Å; V490-L499 HydrophobicContact CG1-CD2 4.37Å; V490-C502 HydrophobicContact CG1-CB 3.91Å; V490-A503 CarbonylContact C-O 3.53Å; V490-A503 WeakPolarHBondContact CA-O 3.49Å; V490-H504 HydrophobicContact CG2-CB 4.09Å
491	R	94.1	Very high	88.1	Confident	183 Å²	183	54.6 Å²	54.6	69%	0.691	29%	0.292	S	S	*	.	B	Isolated β-bridge	trans	-132.8	110.7	177.1	-66	-171.5	68.8	-150.7	-0.5	109	E454 G489 A503	E454-R491 WeakPolarHBondContact OE1-CA 3.34Å; G489-R491 PolarHBondContact O-N 2.94Å; R491-A503 PolarHBondContact N-O 3.36Å; R491-A503 PolarHBondContact O-N 3.45Å
492	C	93.4	Very high	89.1	Confident	12 Å²	12	46.6 Å²	46.6	8%	0.081	25%	0.25	C	C	.	.			trans	-101.1	150.7	180	-59.8	0	0	0	0	110.2	E454 V457 G494 C502	E454-C492 HydrophobicContact CG-CB 4.29Å; E454-C492 PolarHBondContact OE1-N 3.26Å; V457-C492 HydrophobicContact CG2-CB 3.85Å; C492-G494 VanDerWaalsContact C-N 3.31Å; C492-C502 HydrophobicContact CB-CB 4.01Å; C492-C502 WeakPolarHBondContact CB-SG 3.42Å; C492-C502 WeakPolarHBondContact SG-CB 3.26Å; C492-C502 CovalentContact SG-SG 2.04Å; C492-C502 PolarHBondContact SG-SG 3.14Å
493	T	90.4	Very high	89.6	Confident	97 Å²	97	48.3 Å²	48.3	60%	0.595	27%	0.269	S	S	*	.			trans	-81.1	-18.6	165.5	61.2	0	0	0	0	111.6	T495 E496	T493-T495 PolarHBondContact OG1-N 3.15Å; T493-T495 PolarHBondContact OG1-OG1 3.24Å; T493-E496 WeakPolarHBondContact CB-OE1 3.35Å; T493-E496 PolarHBondContact N-OE1 3.44Å; T493-E496 PolarHBondContact N-OE2 2.73Å; T493-E496 VanDerWaalsContact N-OE2 3.14Å; T493-E496 PolarHBondContact OG1-OE1 2.88Å; T493-E496 PolarHBondContact OG1-OE2 3.3Å; T493-E496 VanDerWaalsContact OG1-OE2 3.12Å
494	G	86.5	Confident	90.1	Very high	13 Å²	13	46.8 Å²	46.8	13%	0.134	25%	0.254	C	S	.	.	S	Bend	trans	94.9	-4.2	-176.2	0	0	0	0	0	113.2	R460 C492 E496	R460-G494 PolarHBondContact NH1-O 2.76Å; R460-G494 PolarHBondContact NH2-O 3.33Å; C492-G494 VanDerWaalsContact C-N 3.31Å; G494-E496 PolarHBondContact N-OE2 3.35Å
495	T	85.9	Confident	90.1	Very high	110 Å²	110	46.1 Å²	46.1	68%	0.675	25%	0.251	S	S	*	.			trans	-99.6	-10.6	179.3	61.4	0	0	0	0	113.5	R460 T493	R460-T495 PolarHBondContact NH1-O 2.86Å; T493-T495 PolarHBondContact OG1-N 3.15Å; T493-T495 PolarHBondContact OG1-OG1 3.24Å
496	E	89.8	Confident	89.7	Confident	22 Å²	22	47.4 Å²	47.4	10%	0.103	27%	0.271	C	S	.	.			trans	-62.7	151.8	-178	-61.6	84.5	176.3	0	0	112.2	V457 R460 T493 G494 Q501	V457-E496 HydrophobicContact CG1-CB 4.03Å; V457-E496 HydrophobicContact CG2-CB 4.05Å; R460-E496 PolarHBondContact NH1-O 2.97Å; T493-E496 WeakPolarHBondContact CB-OE1 3.35Å; T493-E496 PolarHBondContact N-OE1 3.44Å; T493-E496 PolarHBondContact N-OE2 2.73Å; T493-E496 VanDerWaalsContact N-OE2 3.14Å; T493-E496 PolarHBondContact OG1-OE1 2.88Å; T493-E496 PolarHBondContact OG1-OE2 3.3Å; T493-E496 VanDerWaalsContact OG1-OE2 3.12Å; G494-E496 PolarHBondContact N-OE2 3.35Å; E496-Q501 HydrophobicContact CB-CB 4.08Å; E496-Q501 HydrophobicContact CG-CB 4.05Å
497	L	86.3	Confident	89	Confident	35 Å²	35	52.7 Å²	52.7	18%	0.183	30%	0.303	C	S	.	.	S	Bend	trans	-88.5	-19	177.2	-58.2	179.1	0	0	0	112.9	Y287 P315	Y287-L497 HydrophobicContact CD1-CD1 4.46Å; Y287-L497 HydrophobicContact CE1-CD1 3.86Å; P315-L497 HydrophobicContact CG-CD2 3.27Å
498	S	90.8	Very high	88.4	Confident	4 Å²	4	59.2 Å²	59.2	3%	0.028	33%	0.333	C	S	.	.	S	Bend	trans	-156.7	151.3	-177.2	62.4	0	0	0	0	110.5	Q461 D500 Q501	Q461-S498 VanDerWaalsContact OE1-CA 3.22Å; S498-D500 PolarHBondContact O-N 2.73Å; S498-D500 VanDerWaalsContact O-N 3.13Å; S498-Q501 WeakPolarHBondContact O-CB 3.21Å; S498-Q501 PolarHBondContact O-N 3.33Å
499	L	92.3	Very high	87.8	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.005	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-57.3	-29.6	178.3	-65.8	175.4	0	0	0	113.4	I417 V430 I445 W450 V457 A458 V490 Q501 C502	I417-L499 HydrophobicContact CD1-CD1 4.24Å; I417-L499 HydrophobicContact CG2-CD1 4.38Å; V430-L499 HydrophobicContact CG1-CD1 4.2Å; I445-L499 HydrophobicContact CD1-CD1 3.78Å; W450-L499 HydrophobicContact CH2-CD1 3.91Å; W450-L499 HydrophobicContact CH2-CD2 3.87Å; W450-L499 HydrophobicContact CZ3-CD2 4.32Å; V457-L499 HydrophobicContact CB-CD2 4.09Å; V457-L499 HydrophobicContact CG1-CD2 3.92Å; V457-L499 HydrophobicContact CG1-CG 4.35Å; A458-L499 HydrophobicContact CB-CD1 4.09Å; A458-L499 HydrophobicContact CB-CD2 4.32Å; A458-L499 HydrophobicContact CB-CG 4.42Å; V490-L499 HydrophobicContact CG1-CD2 4.37Å; L499-Q501 PolarHBondContact O-N 3.14Å; L499-Q501 VanDerWaalsContact O-N 3.15Å; L499-C502 WeakPolarHBondContact O-CB 3.22Å; L499-C502 PolarHBondContact O-N 2.79Å; L499-C502 VanDerWaalsContact O-N 3.11Å
500	D	88.7	Confident	87.4	Confident	61 Å²	61	66.1 Å²	66.1	33%	0.326	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-62.3	-18.5	175.4	-64.8	-31	0	0	0	113.7	R416 S498	R416-D500 WeakPolarHBondContact CD-OD2 3.35Å; R416-D500 IonicContact NH1-OD2 3.93Å; R416-D500 PolarHBondContact NH1-OD2 2.85Å; S498-D500 PolarHBondContact O-N 2.73Å; S498-D500 VanDerWaalsContact O-N 3.13Å
501	Q	89.7	Confident	86.9	Confident	108 Å²	108	67.1 Å²	67.1	51%	0.505	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-91.8	-16.4	178.8	-66.3	171.2	7.9	0	0	112.4	E496 S498 L499	E496-Q501 HydrophobicContact CB-CB 4.08Å; E496-Q501 HydrophobicContact CG-CB 4.05Å; S498-Q501 WeakPolarHBondContact O-CB 3.21Å; S498-Q501 PolarHBondContact O-N 3.33Å; L499-Q501 PolarHBondContact O-N 3.14Å; L499-Q501 VanDerWaalsContact O-N 3.15Å
502	C	92.2	Very high	86.2	Confident	5 Å²	5	66.4 Å²	66.4	3%	0.034	38%	0.381	C	S	.	.	S	Bend	trans	-70.3	156.7	176.2	-59.5	0	0	0	0	110.1	V490 C492 L499 H504	V490-C502 HydrophobicContact CG1-CB 3.91Å; C492-C502 HydrophobicContact CB-CB 4.01Å; C492-C502 WeakPolarHBondContact CB-SG 3.42Å; C492-C502 WeakPolarHBondContact SG-CB 3.26Å; C492-C502 CovalentContact SG-SG 2.04Å; C492-C502 PolarHBondContact SG-SG 3.14Å; L499-C502 WeakPolarHBondContact O-CB 3.22Å; L499-C502 PolarHBondContact O-N 2.79Å; L499-C502 VanDerWaalsContact O-N 3.11Å; C502-H504 PolarHBondContact O-CD2 3.47Å; C502-H504 VanDerWaalsContact O-CD2 3.25Å; C502-H504 PolarHBondContact O-N 3.18Å
503	A	92.7	Very high	85.3	Confident	69 Å²	69	69.9 Å²	69.9	57%	0.57	39%	0.392	S	S	*	.	B	Isolated β-bridge	trans	-65.7	122.1	171.5	0	0	0	0	0	108.4	G489 V490 R491	G489-A503 VanDerWaalsContact O-O 3.13Å; V490-A503 CarbonylContact C-O 3.53Å; V490-A503 WeakPolarHBondContact CA-O 3.49Å; R491-A503 PolarHBondContact N-O 3.36Å; R491-A503 PolarHBondContact O-N 3.45Å
504	H	91	Very high	84	Confident	72 Å²	72	71.6 Å²	71.6	33%	0.333	40%	0.402	S	S	.	.			trans	-144.8	159.7	177.2	68.2	80.9	0	0	0	110.8	V490 C502	V490-H504 HydrophobicContact CG2-CB 4.09Å; C502-H504 PolarHBondContact O-CD2 3.47Å; C502-H504 VanDerWaalsContact O-CD2 3.25Å; C502-H504 PolarHBondContact O-N 3.18Å
505	H	87.4	Confident	83.1	Confident	84 Å²	84	72.3 Å²	72.3	39%	0.389	41%	0.41	S	S	.	.			trans	-63.1	141.6	173	-60.2	147.6	0	0	0	110.1	S488 H508	S488-H505 WeakPolarHBondContact O-CB 3.47Å; S488-H505 PolarHBondContact O-N 3Å; S488-H505 PolarHBondContact O-ND1 3.18Å; S488-H505 PolarHBondContact OG-ND1 3.05Å; H505-H508 WeakPolarHBondContact CB-O 3.49Å
506	G	78.5	Confident	82.2	Confident	58 Å²	58	70 Å²	70	60%	0.598	40%	0.396	S	S	*	.			trans	-69.9	-127.6	-179.2	0	0	0	0	0	113	H508	G506-H508 PolarHBondContact O-N 2.99Å
507	T	73.8	Confident	81.5	Confident	134 Å²	134	76.9 Å²	76.9	82%	0.822	42%	0.421	S	S	*	.	S	Bend	trans	-72.5	-15.8	-177.7	51.8	0	0	0	0	114.2
508	H	77.4	Confident	81.4	Confident	152 Å²	152	78 Å²	78	70%	0.704	42%	0.424	S	S	*	.	S	Bend	trans	-98.2	109.7	179.6	-67.1	-72	0	0	0	110.1	H505 G506	H505-H508 WeakPolarHBondContact CB-O 3.49Å; G506-H508 PolarHBondContact O-N 2.99Å
509	T	79.3	Confident	81.3	Confident	68 Å²	68	77.8 Å²	77.8	42%	0.417	42%	0.423	S	S	.	.			trans	-82.7	129	175.3	49.7	0	0	0	0	110.6	V486 S488	V486-T509 VanDerWaalsContact C-CG2 3.45Å; V486-T509 WeakPolarHBondContact O-CG2 3.17Å; S488-T509 WeakPolarHBondContact OG-CA 3.1Å
510	T	81.9	Confident	81.4	Confident	96 Å²	96	77.7 Å²	77.7	59%	0.589	42%	0.423	S	S	*	.			trans	-124.9	116.9	175	-47.6	0	0	0	0	107.7	S488	S488-T510 WeakPolarHBondContact CB-O 3.41Å; S488-T510 PolarHBondContact OG-N 3.45Å; S488-T510 VanDerWaalsContact OG-N 3.07Å; S488-T510 PolarHBondContact OG-O 2.92Å
511	C	82.3	Confident	81.7	Confident	25 Å²	25	74.8 Å²	74.8	17%	0.169	41%	0.407	C	S	.	.			trans	-133.1	123.3	179.5	-157.8	0	0	0	0	107.3	C446 R513	C446-C511 HydrophobicContact CB-CB 3.94Å; C446-C511 WeakPolarHBondContact CB-SG 3.49Å; C446-C511 VanDerWaalsContact SG-CA 3.57Å; C446-C511 WeakPolarHBondContact SG-CB 3.43Å; C446-C511 CovalentContact SG-SG 2.05Å; C446-C511 PolarHBondContact SG-SG 2.94Å; C511-R513 VanDerWaalsContact C-N 3.26Å; C511-R513 PolarHBondContact O-N 2.75Å; C511-R513 PolarHBondContact SG-O 2.86Å; C511-R513 VanDerWaalsContact SG-O 3.33Å
512	K	80.4	Confident	82	Confident	168 Å²	168	69.7 Å²	69.7	73%	0.73	38%	0.383	S	S	*	.	S	Bend	trans	-62.6	-38.4	-179.9	-63.7	170.9	-178	160.1	0	110.2	D448	D448-K512 WeakPolarHBondContact OD2-CA 3.4Å; D448-K512 VanDerWaalsContact OD2-CB 3.31Å; D448-K512 WeakPolarHBondContact OD2-CB 3.29Å; D448-K512 PolarHBondContact OD2-N 3.29Å
513	R	74.6	Confident	82.1	Confident	85 Å²	85	71.1 Å²	71.1	32%	0.321	39%	0.39	S	S	.	.	S	Bend	trans	-110.1	104.9	178.3	-67.7	-176.4	-77.8	171.3	-5.3	110.2	D448 E473 C511 G515 F518	D448-R513 IonicContact OD1-NE 2.74Å; D448-R513 IonicContact OD1-NH2 2.7Å; E473-R513 IonicContact OE1-CZ 2.91Å; E473-R513 IonicContact OE1-NH1 3.55Å; E473-R513 PolarHBondContact OE1-NH1 3.39Å; C511-R513 VanDerWaalsContact C-N 3.26Å; C511-R513 PolarHBondContact O-N 2.75Å; C511-R513 PolarHBondContact SG-O 2.86Å; C511-R513 VanDerWaalsContact SG-O 3.33Å; R513-G515 PolarHBondContact O-N 2.89Å; R513-F518 HydrophobicContact CB-CB 3.95Å; R513-F518 HydrophobicContact CB-CD1 4.27Å; R513-F518 HydrophobicContact CB-CD2 3.8Å; R513-F518 HydrophobicContact CB-CE2 4.37Å; R513-F518 HydrophobicContact CB-CG 3.74Å
514	T	62.4	Low	82.2	Confident	133 Å²	133	68.2 Å²	68.2	82%	0.816	37%	0.366	S	S	*	.			trans	-91.5	95.8	-178.3	56	0	0	0	0	110.7
515	G	67.6	Low	82.2	Confident	29 Å²	29	66.3 Å²	66.3	30%	0.299	36%	0.36	S	S	.	.	S	Bend	trans	-173.7	150.4	171.1	0	0	0	0	0	111.5	R513 R517 F518	R513-G515 PolarHBondContact O-N 2.89Å; G515-R517 PolarHBondContact O-N 3.15Å; G515-F518 PolarHBondContact O-N 2.94Å
516	T	67.2	Low	82.3	Confident	62 Å²	62	68.8 Å²	68.8	38%	0.38	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-13.4	178.4	54.4	0	0	0	0	114.1	L444 T483 T519	L444-T516 HydrophobicContact CD1-CG2 4.21Å; T483-T516 HydrophobicContact CG2-CG2 3.94Å; T516-T519 PolarHBondContact O-OG1 3.43Å; T516-T519 VanDerWaalsContact O-OG1 3.13Å
517	R	74.6	Confident	82.8	Confident	165 Å²	165	68.1 Å²	68.1	62%	0.623	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-27.5	176	-63.8	-171.7	-179.2	178.4	-0.5	113	E473 T474 W475 G515	E473-R517 CarbonylContact C-O 3.58Å; E473-R517 VanDerWaalsContact CA-O 3.27Å; E473-R517 WeakPolarHBondContact CA-O 3.37Å; T474-R517 PolarHBondContact N-O 3.19Å; W475-R517 HydrophobicContact CB-CB 3.8Å; W475-R517 HydrophobicContact CB-CG 3.64Å; G515-R517 PolarHBondContact O-N 3.15Å
518	F	83.9	Confident	83.8	Confident	58 Å²	58	62.1 Å²	62.1	25%	0.254	32%	0.32	S	S	.	.	S	Bend	trans	-105.6	48.2	-174.8	-55.4	-73.7	0	0	0	110.8	G447 Q472 E473 R513 G515	G447-F518 PolarHBondContact N-O 2.65Å; Q472-F518 CarbonylContact O-C 3.41Å; E473-F518 HydrophobicContact CG-CD1 3.85Å; E473-F518 HydrophobicContact CG-CE1 4.27Å; E473-F518 WeakPolarHBondContact OE1-CE1 3.36Å; R513-F518 HydrophobicContact CB-CB 3.95Å; R513-F518 HydrophobicContact CB-CD1 4.27Å; R513-F518 HydrophobicContact CB-CD2 3.8Å; R513-F518 HydrophobicContact CB-CE2 4.37Å; R513-F518 HydrophobicContact CB-CG 3.74Å; G515-F518 PolarHBondContact O-N 2.94Å
519	T	89.6	Confident	84.6	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-112.1	153.8	179.5	55.5	0	0	0	0	110.8	R429 L444 I445 T474 V485 T516	R429-T519 VanDerWaalsContact CD-OG1 3.23Å; R429-T519 WeakPolarHBondContact CD-OG1 3.44Å; L444-T519 HydrophobicContact CB-CG2 3.86Å; L444-T519 HydrophobicContact CD1-CG2 3.76Å; L444-T519 HydrophobicContact CG-CG2 4.41Å; I445-T519 CarbonylContact O-C 3.57Å; I445-T519 VanDerWaalsContact O-CA 3.24Å; I445-T519 WeakPolarHBondContact O-CA 3.46Å; I445-T519 VanDerWaalsContact O-CB 3.31Å; I445-T519 WeakPolarHBondContact O-CB 3.41Å; T474-T519 WeakPolarHBondContact CG2-O 3.49Å; T474-T519 PolarHBondContact OG1-O 2.67Å; T474-T519 PolarHBondContact OG1-OG1 3.15Å; V485-T519 HydrophobicContact CG2-CG2 4.13Å; T516-T519 PolarHBondContact O-OG1 3.43Å; T516-T519 VanDerWaalsContact O-OG1 3.13Å
520	A	94	Very high	85.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.269	C	S	.	.			trans	-65.8	138.7	-177.8	0	0	0	0	0	112.3	V430 I445 W450 L471	V430-A520 PolarHBondContact N-O 3.14Å; I445-A520 HydrophobicContact CB-CB 3.95Å; I445-A520 HydrophobicContact CG2-CB 4.11Å; I445-A520 PolarHBondContact O-N 2.95Å; W450-A520 HydrophobicContact CB-CB 4.33Å; W450-A520 HydrophobicContact CD2-CB 3.37Å; W450-A520 HydrophobicContact CE3-CB 3.6Å; W450-A520 HydrophobicContact CG-CB 3.7Å; W450-A520 HydrophobicContact CH2-CB 4.3Å; W450-A520 HydrophobicContact CZ2-CB 4.11Å; W450-A520 HydrophobicContact CZ3-CB 4.06Å; L471-A520 WeakPolarHBondContact O-CA 3.42Å
521	G	94.4	Very high	86.1	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	162.3	172.9	0	0	0	0	0	111.5	G428 W450 L471	G428-G521 WeakPolarHBondContact O-CA 3.02Å; W450-G521 PolarHBondContact NE1-O 2.74Å; W450-G521 VanDerWaalsContact NE1-O 3.08Å; L471-G521 PolarHBondContact N-O 2.99Å; L471-G521 PolarHBondContact O-N 2.94Å
522	V	95.8	Very high	86.7	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	151.7	178.3	-60.7	0	0	0	0	111	L419 E427 G428 V430 W450 A455 A458 H469	L419-V522 HydrophobicContact CD1-CG2 4.13Å; L419-V522 HydrophobicContact CD2-CG2 3.44Å; L419-V522 VanDerWaalsContact CD2-CG2 3.44Å; L419-V522 HydrophobicContact CG-CG2 4.45Å; E427-V522 WeakPolarHBondContact CA-O 3.41Å; G428-V522 PolarHBondContact N-O 3.35Å; G428-V522 PolarHBondContact O-N 2.84Å; V430-V522 HydrophobicContact CG2-CB 4.39Å; V430-V522 HydrophobicContact CG2-CG1 3.8Å; V430-V522 HydrophobicContact CG2-CG2 3.86Å; W450-V522 HydrophobicContact CZ2-CG1 3.78Å; A455-V522 HydrophobicContact CB-CB 4.39Å; A455-V522 HydrophobicContact CB-CG1 3.63Å; A458-V522 HydrophobicContact CB-CG1 4.04Å; H469-V522 WeakPolarHBondContact O-CA 3.41Å
523	I	94.3	Very high	87.4	Confident	36 Å²	36	38.5 Å²	38.5	19%	0.185	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	121	163.2	-57.9	176.3	0	0	0	105.6	H426 E427 N468 H469 L471 W477	H426-I523 CarbonylContact O-C 3.45Å; H426-I523 WeakPolarHBondContact O-CA 3.41Å; E427-I523 HydrophobicContact CB-CB 4.41Å; E427-I523 HydrophobicContact CB-CG1 3.92Å; E427-I523 HydrophobicContact CB-CG2 4.36Å; N468-I523 HydrophobicContact CB-CG2 4.25Å; N468-I523 PolarHBondContact N-O 3.24Å; H469-I523 HydrophobicContact CB-CB 4.31Å; H469-I523 HydrophobicContact CB-CD1 4.38Å; H469-I523 PolarHBondContact N-O 2.82Å; H469-I523 PolarHBondContact O-N 2.02Å; L471-I523 HydrophobicContact CD1-CD1 3.99Å; L471-I523 HydrophobicContact CD1-CG1 3.84Å; W477-I523 HydrophobicContact CH2-CG1 4.15Å; W477-I523 HydrophobicContact CZ2-CG1 4.42Å
524	C	95	Very high	88.3	Confident	8 Å²	8	37.6 Å²	37.6	5%	0.054	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	159.1	-178.1	-52.1	0	0	0	0	111.2	H426 C459 L464 Y466	H426-C524 HydrophobicContact CB-CB 4.44Å; H426-C524 PolarHBondContact O-N 2.85Å; C459-C524 VanDerWaalsContact CA-SG 3.5Å; C459-C524 HydrophobicContact CB-CB 3.75Å; C459-C524 WeakPolarHBondContact CB-SG 3.32Å; C459-C524 WeakPolarHBondContact SG-CA 3.36Å; C459-C524 WeakPolarHBondContact SG-CB 3.47Å; C459-C524 CovalentContact SG-SG 2.04Å; C459-C524 PolarHBondContact SG-SG 3.43Å; L464-C524 HydrophobicContact CB-CB 3.72Å; L464-C524 HydrophobicContact CD1-CB 4.48Å; Y466-C524 CarbonylContact O-C 3.51Å; Y466-C524 WeakPolarHBondContact O-CA 3.12Å
525	S	92.5	Very high	89.7	Confident	31 Å²	31	32.2 Å²	32.2	22%	0.217	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	145.1	-179.6	175.2	0	0	0	0	110.2	G465 Y466 T527	G465-S525 CarbonylContact C-O 3.51Å; Y466-S525 PolarHBondContact N-O 3.26Å; Y466-S525 PolarHBondContact O-N 3.09Å; S525-T527 WeakPolarHBondContact CB-O 3.49Å; S525-T527 PolarHBondContact O-N 2.94Å; S525-T527 PolarHBondContact OG-N 3.03Å; S525-T527 PolarHBondContact OG-O 2.76Å
526	E	88.7	Confident	90.9	Very high	137 Å²	137	32.5 Å²	32.5	64%	0.64	17%	0.167	S	C	*	.	S	Bend	trans	-72.6	-13.3	174.8	-63.5	-169	167.8	0	0	113.6	Y466	Y466-E526 WeakPolarHBondContact CE2-O 3.27Å
527	T	89.8	Confident	92.3	Very high	44 Å²	44	31 Å²	31	27%	0.27	16%	0.156	S	C	.	.			trans	-132.8	148.2	-177.7	55.1	0	0	0	0	111.1	S525 R589	S525-T527 WeakPolarHBondContact CB-O 3.49Å; S525-T527 PolarHBondContact O-N 2.94Å; S525-T527 PolarHBondContact OG-N 3.03Å; S525-T527 PolarHBondContact OG-O 2.76Å; T527-R589 HydrophobicContact CG2-CB 3.93Å
528	A	93.8	Very high	93.3	Very high	7 Å²	7	23.2 Å²	23.2	6%	0.058	13%	0.127	C	C	.	.			trans	-139.6	159	173.2	0	0	0	0	0	110.3	Y466 R589 A590	Y466-A528 HydrophobicContact CD1-CB 4.11Å; Y466-A528 HydrophobicContact CD2-CB 4.03Å; Y466-A528 HydrophobicContact CG-CB 3.74Å; A528-R589 PolarHBondContact O-N 2.72Å; A528-A590 PolarHBondContact O-N 2.97Å
529	S	95.4	Very high	93.8	Very high	6 Å²	6	24 Å²	24	4%	0.042	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-72.1	165	169.5	44.2	0	0	0	0	111.5	A590 F592 A702 E703 S704	S529-A590 WeakPolarHBondContact CA-O 3.43Å; S529-A590 WeakPolarHBondContact CB-O 3.32Å; S529-F592 WeakPolarHBondContact OG-CD2 3.28Å; S529-A702 PolarHBondContact OG-O 3.32Å; S529-E703 CarbonylContact O-C 3.57Å; S529-E703 WeakPolarHBondContact O-CA 3.45Å; S529-E703 WeakPolarHBondContact O-CB 3.2Å; S529-S704 PolarHBondContact O-N 3.43Å
530	D	96.1	Very high	94	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.166	C	C	.	.			trans	-146.3	107.4	175.5	-169.9	2.3	0	0	0	108.2	L532 N586 L587 G588 S704 N708	D530-L532 HydrophobicContact CB-CD1 4.32Å; D530-L532 WeakPolarHBondContact O-CD1 2.88Å; D530-N586 PolarHBondContact N-OD1 3.12Å; D530-N586 CarbonylContact O-C 3.54Å; D530-N586 WeakPolarHBondContact O-CA 3.44Å; D530-L587 PolarHBondContact O-N 2.87Å; D530-G588 VanDerWaalsContact CB-CA 3.47Å; D530-S704 WeakPolarHBondContact CB-OG 3.41Å; D530-N708 PolarHBondContact OD1-ND2 3.21Å
531	L	95.3	Very high	94.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	124.3	-174.8	-59.5	-173.3	0	0	0	112	I584 H585 N586 F592 F616 I662 I695 E703	L531-I584 HydrophobicContact CB-CG2 3.94Å; L531-I584 HydrophobicContact CD1-CG2 4.19Å; L531-I584 HydrophobicContact CD2-CG2 4.14Å; L531-I584 HydrophobicContact CG-CG2 4.33Å; L531-H585 VanDerWaalsContact CA-O 3.27Å; L531-H585 WeakPolarHBondContact CA-O 2.98Å; L531-N586 HydrophobicContact CD2-CB 3.97Å; L531-F592 HydrophobicContact CD1-CD1 4.19Å; L531-F592 HydrophobicContact CD1-CD2 3.48Å; L531-F592 VanDerWaalsContact CD1-CD2 3.48Å; L531-F592 HydrophobicContact CD1-CE1 4.12Å; L531-F592 HydrophobicContact CD1-CE2 3.38Å; L531-F592 HydrophobicContact CD1-CG 3.9Å; L531-F592 HydrophobicContact CD1-CZ 3.73Å; L531-F592 HydrophobicContact CD2-CB 3.93Å; L531-F592 HydrophobicContact CD2-CD2 3.98Å; L531-F592 HydrophobicContact CD2-CG 3.97Å; L531-F592 HydrophobicContact CG-CD2 3.74Å; L531-F592 HydrophobicContact CG-CE2 4.07Å; L531-F592 HydrophobicContact CG-CG 4.21Å; L531-F616 HydrophobicContact CD1-CE2 3.72Å; L531-F616 HydrophobicContact CD1-CZ 3.84Å; L531-I662 HydrophobicContact CD2-CD1 4.33Å; L531-I695 HydrophobicContact CB-CG2 4.02Å; L531-I695 HydrophobicContact CD1-CG2 3.71Å; L531-E703 WeakPolarHBondContact CA-OE2 3.07Å; L531-E703 WeakPolarHBondContact CB-OE2 3.04Å; L531-E703 VanDerWaalsContact CG-OE2 3.29Å; L531-E703 WeakPolarHBondContact CG-OE2 3.45Å; L531-E703 PolarHBondContact N-OE2 2.84Å
532	L	94.9	Very high	94.2	Very high	7 Å²	7	33.7 Å²	33.7	4%	0.037	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	137.4	178	-65.1	85.6	0	0	0	111.3	M366 D530 H585 L587 N708 I729	M366-L532 HydrophobicContact CB-CD2 4.16Å; M366-L532 HydrophobicContact CE-CB 4.04Å; D530-L532 HydrophobicContact CB-CD1 4.32Å; D530-L532 WeakPolarHBondContact O-CD1 2.88Å; L532-H585 PolarHBondContact N-O 2.93Å; L532-H585 PolarHBondContact O-N 2.93Å; L532-L587 HydrophobicContact CD1-CB 3.94Å; L532-L587 HydrophobicContact CD1-CD1 4.1Å; L532-L587 HydrophobicContact CD1-CG 4.2Å; L532-L587 HydrophobicContact CD2-CD1 4.37Å; L532-N708 WeakPolarHBondContact CD1-ND2 3.43Å; L532-N708 HydrophobicContact CD2-CB 4.18Å; L532-N708 HydrophobicContact CG-CB 4.23Å; L532-N708 VanDerWaalsContact CG-ND2 3.32Å; L532-N708 WeakPolarHBondContact CG-ND2 3.1Å; L532-I729 HydrophobicContact CB-CD1 4.42Å; L532-I729 HydrophobicContact CD2-CD1 4.08Å
533	L	94.5	Very high	94.2	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	132.2	174.3	-166.1	71.6	0	0	0	111.1	S535 V538 I584 V693 I695 M711	L533-S535 PolarHBondContact O-N 3.42Å; L533-V538 HydrophobicContact CD2-CG2 3.95Å; L533-V538 HydrophobicContact CG-CG2 4.39Å; L533-I584 HydrophobicContact CD1-CD1 4.37Å; L533-I584 HydrophobicContact CD1-CG1 4.05Å; L533-V693 HydrophobicContact CD1-CG1 4.49Å; L533-V693 HydrophobicContact CD2-CB 3.69Å; L533-V693 HydrophobicContact CD2-CG1 3.61Å; L533-V693 HydrophobicContact CD2-CG2 4.3Å; L533-I695 HydrophobicContact CB-CD1 3.65Å; L533-I695 HydrophobicContact CD1-CD1 4.15Å; L533-I695 HydrophobicContact CG-CD1 4.47Å; L533-M711 HydrophobicContact CB-CB 4.33Å; L533-M711 HydrophobicContact CD2-CB 3.66Å; L533-M711 HydrophobicContact CD2-CE 3.72Å; L533-M711 HydrophobicContact CD2-CG 4Å
534	H	94.3	Very high	94.3	Very high	65 Å²	65	37.8 Å²	37.8	30%	0.301	20%	0.198	S	C	.	.			trans	-73.2	92	170.7	-170.2	-168.7	0	0	0	111.3	A536 L537 Q583	H534-A536 PolarHBondContact O-N 2.78Å; H534-L537 HydrophobicContact CB-CB 4.44Å; H534-L537 PolarHBondContact O-N 2.76Å; H534-Q583 HydrophobicContact CB-CB 4.07Å; H534-Q583 HydrophobicContact CB-CG 4.45Å; H534-Q583 PolarHBondContact N-O 2.84Å; H534-Q583 PolarHBondContact ND1-OE1 2.99Å
535	S	93.1	Very high	94.3	Very high	21 Å²	21	40.3 Å²	40.3	15%	0.147	21%	0.209	C	C	.	.	H	α-helix	trans	-61.2	-34.1	-173.6	58.4	0	0	0	0	115	L533 V538 Q539 C727	L533-S535 PolarHBondContact O-N 3.42Å; S535-V538 PolarHBondContact O-N 3.47Å; S535-Q539 PolarHBondContact O-N 3.25Å; S535-C727 WeakPolarHBondContact O-CB 3.45Å
536	A	92.8	Very high	94.5	Very high	35 Å²	35	42.7 Å²	42.7	29%	0.289	22%	0.22	S	C	.	.	H	α-helix	trans	-65.3	-41.4	178.9	0	0	0	0	0	112.2	H534 V538 Q539 E540	H534-A536 PolarHBondContact O-N 2.78Å; A536-V538 VanDerWaalsContact C-N 3.3Å; A536-V538 PolarHBondContact O-N 3.47Å; A536-Q539 WeakPolarHBondContact O-CA 3.47Å; A536-Q539 VanDerWaalsContact O-CB 3.29Å; A536-Q539 WeakPolarHBondContact O-CB 3.28Å; A536-Q539 PolarHBondContact O-N 3.13Å; A536-E540 WeakPolarHBondContact O-CG 3.32Å; A536-E540 PolarHBondContact O-N 2.94Å
537	L	95.3	Very high	94.8	Very high	31 Å²	31	37.9 Å²	37.9	16%	0.162	20%	0.196	C	C	.	.	H	α-helix	trans	-61	-39.7	178.8	-176.2	67.9	0	0	0	112.1	H534 Q539 E540 T541 Q583 L669	H534-L537 HydrophobicContact CB-CB 4.44Å; H534-L537 PolarHBondContact O-N 2.76Å; L537-Q539 VanDerWaalsContact C-N 3.29Å; L537-Q539 PolarHBondContact O-N 3.27Å; L537-E540 PolarHBondContact O-N 2.87Å; L537-T541 HydrophobicContact CD1-CG2 3.75Å; L537-T541 HydrophobicContact CG-CG2 4.27Å; L537-T541 WeakPolarHBondContact O-CB 3.34Å; L537-T541 WeakPolarHBondContact O-CG2 3.36Å; L537-T541 PolarHBondContact O-N 3Å; L537-T541 PolarHBondContact O-OG1 2.94Å; L537-Q583 HydrophobicContact CD2-CB 3.56Å; L537-L669 HydrophobicContact CD2-CD1 3.7Å
538	V	95.3	Very high	95.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.4	-41.7	175.7	176.8	0	0	0	0	110.5	L533 S535 A536 A542 F580 S581 L691 M711	L533-V538 HydrophobicContact CD2-CG2 3.95Å; L533-V538 HydrophobicContact CG-CG2 4.39Å; S535-V538 PolarHBondContact O-N 3.47Å; A536-V538 VanDerWaalsContact C-N 3.3Å; A536-V538 PolarHBondContact O-N 3.47Å; V538-A542 WeakPolarHBondContact O-CB 3.37Å; V538-A542 PolarHBondContact O-N 2.87Å; V538-F580 HydrophobicContact CG1-CB 4.07Å; V538-F580 HydrophobicContact CG1-CD2 3.85Å; V538-F580 HydrophobicContact CG1-CG 4.03Å; V538-F580 HydrophobicContact CG2-CD2 4.26Å; V538-S581 VanDerWaalsContact CG2-O 3.26Å; V538-S581 WeakPolarHBondContact CG2-O 3.49Å; V538-L691 HydrophobicContact CG1-CD2 4.1Å; V538-M711 HydrophobicContact CB-CE 3.87Å; V538-M711 HydrophobicContact CG1-CE 3.6Å; V538-M711 HydrophobicContact CG2-CE 3.88Å
539	Q	94.8	Very high	95.1	Very high	75 Å²	75	36.7 Å²	36.7	35%	0.35	19%	0.188	S	C	.	.	H	α-helix	trans	-63.6	-44.6	177.9	-161.4	175.7	-86.4	0	0	112.3	S535 A536 L537 V724 H725 C727	S535-Q539 PolarHBondContact O-N 3.25Å; A536-Q539 WeakPolarHBondContact O-CA 3.47Å; A536-Q539 VanDerWaalsContact O-CB 3.29Å; A536-Q539 WeakPolarHBondContact O-CB 3.28Å; A536-Q539 PolarHBondContact O-N 3.13Å; L537-Q539 VanDerWaalsContact C-N 3.29Å; L537-Q539 PolarHBondContact O-N 3.27Å; Q539-V724 VanDerWaalsContact CG-O 3.32Å; Q539-V724 WeakPolarHBondContact CG-O 3.49Å; Q539-H725 VanDerWaalsContact OE1-C 3.26Å; Q539-H725 VanDerWaalsContact OE1-CA 3.3Å; Q539-C727 HydrophobicContact CB-CB 4.06Å; Q539-C727 VanDerWaalsContact CB-SG 3.53Å; Q539-C727 HydrophobicContact CG-CB 4.47Å
540	E	95.1	Very high	95	Very high	155 Å²	155	41.5 Å²	41.5	72%	0.724	21%	0.209	S	C	*	.	H	α-helix	trans	-73.4	-30.5	-174.8	-71	172.5	-172.9	0	0	113.2	A536 L537	A536-E540 WeakPolarHBondContact O-CG 3.32Å; A536-E540 PolarHBondContact O-N 2.94Å; L537-E540 PolarHBondContact O-N 2.87Å
541	T	96.7	Very high	94.8	Very high	26 Å²	26	45.9 Å²	45.9	16%	0.16	23%	0.231	C	C	.	.	H	α-helix	trans	-102.4	4.1	-173.4	61	0	0	0	0	113.9	L537 Y543 S581	L537-T541 HydrophobicContact CD1-CG2 3.75Å; L537-T541 HydrophobicContact CG-CG2 4.27Å; L537-T541 WeakPolarHBondContact O-CB 3.34Å; L537-T541 WeakPolarHBondContact O-CG2 3.36Å; L537-T541 PolarHBondContact O-N 3Å; L537-T541 PolarHBondContact O-OG1 2.94Å; T541-Y543 VanDerWaalsContact O-CD1 3.27Å; T541-Y543 WeakPolarHBondContact O-CD1 3.45Å; T541-S581 WeakPolarHBondContact OG1-CB 3.49Å; T541-S581 PolarHBondContact OG1-N 3Å
542	A	96	Very high	94.6	Very high	23 Å²	23	45.9 Å²	45.9	19%	0.19	23%	0.231	C	C	.	.			trans	-74.8	124.6	-178.4	0	0	0	0	0	112.8	V538 R579 F580 V724	V538-A542 WeakPolarHBondContact O-CB 3.37Å; V538-A542 PolarHBondContact O-N 2.87Å; A542-R579 CarbonylContact C-O 3.54Å; A542-R579 VanDerWaalsContact CA-O 3.24Å; A542-R579 WeakPolarHBondContact CA-O 3.47Å; A542-F580 HydrophobicContact CB-CB 4.35Å; A542-V724 HydrophobicContact CB-CB 3.95Å; A542-V724 HydrophobicContact CB-CG1 4.5Å; A542-V724 HydrophobicContact CB-CG2 3.63Å
543	Y	95.4	Very high	94.4	Very high	84 Å²	84	50.8 Å²	50.8	33%	0.329	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	167.2	173.1	66.4	-83.6	0	0	0	112.8	T541 E545 R579 H672	T541-Y543 VanDerWaalsContact O-CD1 3.27Å; T541-Y543 WeakPolarHBondContact O-CD1 3.45Å; Y543-E545 HydrophobicContact CE2-CB 4.24Å; Y543-R579 HydrophobicContact CD1-CB 4.31Å; Y543-R579 HydrophobicContact CE1-CB 3.89Å; Y543-R579 HydrophobicContact CE2-CB 4.21Å; Y543-R579 HydrophobicContact CE2-CG 4.5Å; Y543-R579 VanDerWaalsContact CZ-CD 3.5Å; Y543-R579 PolarHBondContact N-O 2.86Å; Y543-R579 PolarHBondContact O-N 3.42Å; Y543-R579 VanDerWaalsContact OH-CD 3.23Å; Y543-R579 WeakPolarHBondContact OH-CD 3.01Å; Y543-H672 HydrophobicContact CE1-CB 3.97Å; Y543-H672 AromaticContact CE1-CG 3.71Å; Y543-H672 AromaticContact CE1-ND1 3.35Å; Y543-H672 WeakPolarHBondContact CE1-ND1 3.38Å; Y543-H672 AromaticContact CZ-ND1 3.69Å; Y543-H672 PolarHBondContact OH-ND1 2.78Å; Y543-H672 VanDerWaalsContact OH-ND1 3.13Å
544	I	96.2	Very high	94	Very high	37 Å²	37	52.6 Å²	52.6	19%	0.19	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	138.1	174.1	-68.1	173.3	0	0	0	110.3	R576 L577 I681 Y717 I722	I544-R576 HydrophobicContact CG2-CG 3.46Å; I544-R576 VanDerWaalsContact CG2-CG 3.46Å; I544-L577 CarbonylContact C-O 3.57Å; I544-L577 WeakPolarHBondContact CA-O 3.4Å; I544-I681 HydrophobicContact CD1-CD1 3.7Å; I544-I681 HydrophobicContact CG1-CD1 3.93Å; I544-Y717 HydrophobicContact CD1-CD2 3.72Å; I544-Y717 HydrophobicContact CD1-CE2 3.5Å; I544-I722 HydrophobicContact CD1-CB 3.65Å; I544-I722 HydrophobicContact CD1-CD1 4.36Å; I544-I722 HydrophobicContact CD1-CG2 3.9Å; I544-I722 HydrophobicContact CG1-CB 4.02Å; I544-I722 HydrophobicContact CG1-CG2 3.69Å
545	E	95.6	Very high	93.7	Very high	61 Å²	61	49.5 Å²	49.5	29%	0.285	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	133.6	170	-175.7	-170.5	-154.6	0	0	110.3	Y543 R547 L577 R579	Y543-E545 HydrophobicContact CE2-CB 4.24Å; E545-R547 HydrophobicContact CG-CB 4.43Å; E545-L577 PolarHBondContact N-O 2.96Å; E545-L577 PolarHBondContact O-N 2.78Å; E545-R579 IonicContact OE2-CZ 2.81Å; E545-R579 VanDerWaalsContact OE2-CZ 3.26Å; E545-R579 IonicContact OE2-NE 3.64Å; E545-R579 PolarHBondContact OE2-NE 2.93Å; E545-R579 IonicContact OE2-NH2 3.42Å; E545-R579 PolarHBondContact OE2-NH2 2.72Å
546	D	95.7	Very high	93.4	Very high	82 Å²	82	50.2 Å²	50.2	44%	0.439	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	103.3	166.6	-73.9	-38.1	0	0	0	108.7	R575 R576	D546-R575 CarbonylContact C-O 3.44Å; D546-R575 WeakPolarHBondContact CA-O 3.46Å; D546-R576 WeakPolarHBondContact OD1-CA 3.42Å; D546-R576 VanDerWaalsContact OD1-CB 3.26Å; D546-R576 WeakPolarHBondContact OD1-CB 3.32Å; D546-R576 VanDerWaalsContact OD1-CG 3.31Å; D546-R576 WeakPolarHBondContact OD1-CG 2.97Å; D546-R576 IonicContact OD1-CZ 3.49Å; D546-R576 IonicContact OD1-NE 3.24Å; D546-R576 PolarHBondContact OD1-NE 2.79Å; D546-R576 IonicContact OD1-NH2 3.41Å; D546-R576 PolarHBondContact OD1-NH2 2.84Å; D546-R576 IonicContact OD2-CZ 2.81Å; D546-R576 IonicContact OD2-NE 2.88Å; D546-R576 IonicContact OD2-NH2 2.87Å; D546-R576 PolarHBondContact OD2-NH2 3.4Å
547	R	95.1	Very high	93.1	Very high	36 Å²	36	55.1 Å²	55.1	14%	0.136	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	129.6	-174.9	-167.2	159.1	165.9	-179.4	-17.2	110.8	E545 M551 L552 H574 R575 L577 D675	E545-R547 HydrophobicContact CG-CB 4.43Å; R547-M551 HydrophobicContact CG-CB 4.36Å; R547-M551 HydrophobicContact CG-CE 4.19Å; R547-M551 PolarHBondContact NH2-O 3.47Å; R547-L552 HydrophobicContact CB-CD1 4.34Å; R547-L552 HydrophobicContact CB-CD2 4.3Å; R547-L552 HydrophobicContact CG-CD1 4.5Å; R547-L552 HydrophobicContact CG-CD2 3.89Å; R547-L552 HydrophobicContact CG-CG 4.17Å; R547-H574 CarbonylContact O-C 3.56Å; R547-H574 VanDerWaalsContact O-CA 3.29Å; R547-H574 WeakPolarHBondContact O-CA 3.3Å; R547-R575 PolarHBondContact N-O 2.96Å; R547-R575 PolarHBondContact O-N 3.02Å; R547-L577 HydrophobicContact CB-CD1 3.95Å; R547-D675 IonicContact CZ-OD1 3.06Å; R547-D675 VanDerWaalsContact CZ-OD1 3.31Å; R547-D675 IonicContact NH1-OD1 3.69Å; R547-D675 PolarHBondContact NH1-OD1 3.18Å; R547-D675 IonicContact NH2-OD1 3.79Å; R547-D675 PolarHBondContact NH2-OD1 3.26Å; R547-D675 IonicContact NH2-OD2 2.98Å; R547-D675 PolarHBondContact NH2-OD2 2.98Å
548	P	95.9	Very high	92.4	Very high	21 Å²	21	54.7 Å²	54.7	14%	0.136	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	147.4	-179.3	28.1	-37.3	0	0	0	112.5	H550 M551 G573	P548-H550 VanDerWaalsContact C-N 3.32Å; P548-H550 VanDerWaalsContact CB-CE1 3.45Å; P548-H550 WeakPolarHBondContact CB-CE1 3.27Å; P548-H550 VanDerWaalsContact CG-CE1 3.42Å; P548-H550 WeakPolarHBondContact CG-CE1 3.24Å; P548-H550 PolarHBondContact O-N 2.82Å; P548-M551 VanDerWaalsContact CD-CE 3.41Å; P548-M551 HydrophobicContact CG-CE 3.27Å; P548-M551 HydrophobicContact CG-CG 4.24Å; P548-M551 PolarHBondContact O-N 3.08Å; P548-M551 VanDerWaalsContact O-N 3.08Å; P548-G573 CarbonylContact C-O 3.6Å; P548-G573 VanDerWaalsContact CA-O 3.26Å; P548-G573 WeakPolarHBondContact CA-O 3.35Å
549	L	94.3	Very high	92	Very high	4 Å²	4	58.7 Å²	58.7	2%	0.021	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-58.7	-38.4	-174.3	-72.6	175.1	0	0	0	113.2	M551 L552 A568 W570 Y572 G573 R575	L549-M551 PolarHBondContact O-N 3.19Å; L549-L552 HydrophobicContact CD2-CD1 4.45Å; L549-L552 PolarHBondContact O-N 2.79Å; L549-A568 HydrophobicContact CD1-CB 3.76Å; L549-A568 HydrophobicContact CD2-CB 4.42Å; L549-W570 HydrophobicContact CB-CD2 4.17Å; L549-W570 HydrophobicContact CB-CE3 3.82Å; L549-W570 HydrophobicContact CB-CH2 4.44Å; L549-W570 HydrophobicContact CB-CZ3 4Å; L549-W570 HydrophobicContact CD1-CD2 4.39Å; L549-W570 HydrophobicContact CD2-CD2 4.32Å; L549-W570 HydrophobicContact CD2-CE3 4.46Å; L549-W570 HydrophobicContact CD2-CH2 3.87Å; L549-W570 HydrophobicContact CD2-CZ2 3.69Å; L549-W570 HydrophobicContact CD2-CZ3 4.29Å; L549-W570 WeakPolarHBondContact O-CZ3 3.47Å; L549-Y572 WeakPolarHBondContact CD1-O 3.26Å; L549-G573 PolarHBondContact N-O 2.67Å; L549-R575 HydrophobicContact CD2-CG 3.6Å
550	H	92.7	Very high	91.6	Very high	107 Å²	107	55.4 Å²	55.4	50%	0.495	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-58.9	-16.2	178.7	66.2	-91.7	0	0	0	115.1	P548 Y553 P571	P548-H550 VanDerWaalsContact C-N 3.32Å; P548-H550 VanDerWaalsContact CB-CE1 3.45Å; P548-H550 WeakPolarHBondContact CB-CE1 3.27Å; P548-H550 VanDerWaalsContact CG-CE1 3.42Å; P548-H550 WeakPolarHBondContact CG-CE1 3.24Å; P548-H550 PolarHBondContact O-N 2.82Å; H550-Y553 HydrophobicContact CB-CE2 4.4Å; H550-Y553 WeakPolarHBondContact O-CD2 3.37Å; H550-P571 HydrophobicContact CB-CB 3.88Å; H550-P571 PolarHBondContact N-O 2.82Å
551	M	91.9	Very high	91.5	Very high	93 Å²	93	48.9 Å²	48.9	46%	0.458	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-98.8	7.4	175.3	-63.1	-159.6	-76.7	0	0	113.7	R547 P548 L549	R547-M551 HydrophobicContact CG-CB 4.36Å; R547-M551 HydrophobicContact CG-CE 4.19Å; R547-M551 PolarHBondContact NH2-O 3.47Å; P548-M551 VanDerWaalsContact CD-CE 3.41Å; P548-M551 HydrophobicContact CG-CE 3.27Å; P548-M551 HydrophobicContact CG-CG 4.24Å; P548-M551 PolarHBondContact O-N 3.08Å; P548-M551 VanDerWaalsContact O-N 3.08Å; L549-M551 PolarHBondContact O-N 3.19Å
552	L	91.9	Very high	91.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.246	C	C	.	.			trans	-121.6	13.5	-171.8	-63	175.9	0	0	0	113.5	R547 L549 C554 A555 A556 L561 W570 R575 L577 W678	R547-L552 HydrophobicContact CB-CD1 4.34Å; R547-L552 HydrophobicContact CB-CD2 4.3Å; R547-L552 HydrophobicContact CG-CD1 4.5Å; R547-L552 HydrophobicContact CG-CD2 3.89Å; R547-L552 HydrophobicContact CG-CG 4.17Å; L549-L552 HydrophobicContact CD2-CD1 4.45Å; L549-L552 PolarHBondContact O-N 2.79Å; L552-C554 PolarHBondContact O-N 2.97Å; L552-A555 HydrophobicContact CD2-CB 4.47Å; L552-A555 PolarHBondContact O-N 2.84Å; L552-A556 WeakPolarHBondContact O-CB 3.5Å; L552-A556 PolarHBondContact O-N 3Å; L552-L561 HydrophobicContact CB-CD1 4.17Å; L552-L561 HydrophobicContact CD1-CD2 4.32Å; L552-W570 HydrophobicContact CB-CH2 3.9Å; L552-W570 HydrophobicContact CB-CZ3 4.26Å; L552-R575 HydrophobicContact CD1-CB 3.8Å; L552-R575 HydrophobicContact CD1-CG 3.74Å; L552-L577 HydrophobicContact CD2-CD1 4.14Å; L552-W678 HydrophobicContact CD2-CH2 4.2Å; L552-W678 HydrophobicContact CD2-CZ2 4.28Å
553	Y	89.6	Confident	91	Very high	110 Å²	110	52.3 Å²	52.3	43%	0.431	27%	0.271	S	S	.	.	H	α-helix	trans	-57.2	-49.4	179.9	-78.5	-74.4	0	0	0	112.2	H550 A555 A556 E557 W570	H550-Y553 HydrophobicContact CB-CE2 4.4Å; H550-Y553 WeakPolarHBondContact O-CD2 3.37Å; Y553-A555 PolarHBondContact O-N 3.43Å; Y553-A556 WeakPolarHBondContact O-CB 3.48Å; Y553-A556 PolarHBondContact O-N 2.87Å; Y553-A556 VanDerWaalsContact O-N 3.08Å; Y553-E557 PolarHBondContact O-N 3.2Å; Y553-W570 AromaticContact CD1-CE3 3.96Å; Y553-W570 HydrophobicContact CD1-CE3 3.96Å; Y553-W570 AromaticContact CD1-CZ3 3.95Å; Y553-W570 HydrophobicContact CD1-CZ3 3.95Å; Y553-W570 HydrophobicContact CD2-CZ3 4.45Å; Y553-W570 HydrophobicContact CE1-CD2 4.45Å; Y553-W570 AromaticContact CE1-CE3 3.63Å; Y553-W570 HydrophobicContact CE1-CE3 3.63Å; Y553-W570 HydrophobicContact CE1-CZ3 4.1Å; Y553-W570 HydrophobicContact CE2-CE3 4.38Å; Y553-W570 HydrophobicContact CG-CE3 4.46Å; Y553-W570 HydrophobicContact CG-CZ3 4.13Å; Y553-W570 AromaticContact CZ-CE3 3.86Å
554	C	86.3	Confident	90.8	Very high	39 Å²	39	49.8 Å²	49.8	26%	0.264	27%	0.265	S	S	.	.	H	α-helix	trans	-56.9	-49.9	176	-77.7	0	0	0	0	113	L552 A556 E557 E558 C606	L552-C554 PolarHBondContact O-N 2.97Å; C554-A556 PolarHBondContact O-N 3.21Å; C554-E557 PolarHBondContact O-N 2.81Å; C554-E557 VanDerWaalsContact O-N 3.16Å; C554-E558 PolarHBondContact O-N 2.04Å; C554-C606 WeakPolarHBondContact CA-SG 3.38Å; C554-C606 HydrophobicContact CB-CB 3.38Å; C554-C606 WeakPolarHBondContact CB-SG 3.24Å; C554-C606 WeakPolarHBondContact SG-CB 3.11Å; C554-C606 CovalentContact SG-SG 2.03Å; C554-C606 PolarHBondContact SG-SG 3.13Å
555	A	87.8	Confident	90.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.3	-31	176.1	0	0	0	0	0	113.6	L552 Y553 N559 C560 L561 W678	L552-A555 HydrophobicContact CD2-CB 4.47Å; L552-A555 PolarHBondContact O-N 2.84Å; Y553-A555 PolarHBondContact O-N 3.43Å; A555-N559 PolarHBondContact O-N 3.39Å; A555-C560 HydrophobicContact CB-CB 4.17Å; A555-C560 WeakPolarHBondContact O-CB 3.46Å; A555-C560 PolarHBondContact O-N 3.33Å; A555-L561 HydrophobicContact CB-CD2 4.33Å; A555-L561 HydrophobicContact CB-CG 4.27Å; A555-W678 HydrophobicContact CB-CH2 3.9Å; A555-W678 HydrophobicContact CB-CZ2 3.49Å; A555-W678 VanDerWaalsContact CB-CZ2 3.49Å
556	A	87.8	Confident	90.4	Very high	35 Å²	35	54.7 Å²	54.7	29%	0.289	28%	0.279	S	S	.	.	H	α-helix	trans	-73.7	-39.3	176.5	0	0	0	0	0	112.1	L552 Y553 C554 E558 N559 L561 W570	L552-A556 WeakPolarHBondContact O-CB 3.5Å; L552-A556 PolarHBondContact O-N 3Å; Y553-A556 WeakPolarHBondContact O-CB 3.48Å; Y553-A556 PolarHBondContact O-N 2.87Å; Y553-A556 VanDerWaalsContact O-N 3.08Å; C554-A556 PolarHBondContact O-N 3.21Å; A556-E558 VanDerWaalsContact C-N 3.31Å; A556-N559 PolarHBondContact O-N 3.41Å; A556-L561 HydrophobicContact CB-CD1 3.93Å; A556-W570 HydrophobicContact CB-CH2 3.71Å; A556-W570 HydrophobicContact CB-CZ2 3.81Å
557	E	84.9	Confident	90.2	Very high	138 Å²	138	56 Å²	56	65%	0.645	30%	0.295	S	S	*	.	H	α-helix	trans	-63.4	-38.2	175.3	-71	175.8	-179.5	0	0	111.5	Y553 C554 N559	Y553-E557 PolarHBondContact O-N 3.2Å; C554-E557 PolarHBondContact O-N 2.81Å; C554-E557 VanDerWaalsContact O-N 3.16Å; E557-N559 PolarHBondContact O-N 2.82Å
558	E	80.6	Confident	90	Very high	22 Å²	22	55.8 Å²	55.8	10%	0.103	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	3.1	176.2	-71.9	179.2	-124.2	0	0	114.4	C554 A556 C560 H604 H607 H611	C554-E558 PolarHBondContact O-N 2.04Å; A556-E558 VanDerWaalsContact C-N 3.31Å; E558-C560 WeakPolarHBondContact CB-SG 3.29Å; E558-C560 PolarHBondContact O-N 3.47Å; E558-H604 VanDerWaalsContact CD-ND1 3.28Å; E558-H604 WeakPolarHBondContact CG-CE1 3.46Å; E558-H604 WeakPolarHBondContact CG-NE2 3.38Å; E558-H604 IonicContact OE1-CD2 3.85Å; E558-H604 IonicContact OE1-CE1 3.4Å; E558-H604 PolarHBondContact OE1-CE1 3.31Å; E558-H604 IonicContact OE1-CG 3.93Å; E558-H604 IonicContact OE1-ND1 3.89Å; E558-H604 PolarHBondContact OE1-ND1 2.98Å; E558-H604 IonicContact OE1-NE2 2.76Å; E558-H607 IonicContact OE1-CE1 2.78Å; E558-H607 PolarHBondContact OE1-CE1 3.13Å; E558-H607 IonicContact OE1-ND1 2.71Å; E558-H607 PolarHBondContact OE1-ND1 3.13Å; E558-H607 IonicContact OE1-NE2 3.18Å; E558-H607 PolarHBondContact OE1-NE2 2.69Å; E558-H607 IonicContact OE2-CE1 2.72Å; E558-H607 PolarHBondContact OE2-CE1 2.95Å; E558-H607 IonicContact OE2-ND1 3.18Å; E558-H611 IonicContact OE2-CE1 2.76Å
559	N	86.9	Confident	89.9	Confident	84 Å²	84	60.5 Å²	60.5	45%	0.449	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	27.3	-175.7	-58	-77.2	0	0	0	114.6	A555 A556 E557 L561 R566 H633	A555-N559 PolarHBondContact O-N 3.39Å; A556-N559 PolarHBondContact O-N 3.41Å; E557-N559 PolarHBondContact O-N 2.82Å; N559-L561 PolarHBondContact O-N 3.17Å; N559-R566 PolarHBondContact OD1-NH2 3.33Å; N559-H633 PolarHBondContact O-CE1 2.74Å
560	C	88.1	Confident	89.9	Confident	7 Å²	7	63.1 Å²	63.1	5%	0.047	34%	0.335	C	S	.	.			trans	-80.2	1.9	178	-54	0	0	0	0	114.2	A555 E558 C676 W678	A555-C560 HydrophobicContact CB-CB 4.17Å; A555-C560 WeakPolarHBondContact O-CB 3.46Å; A555-C560 PolarHBondContact O-N 3.33Å; E558-C560 WeakPolarHBondContact CB-SG 3.29Å; E558-C560 PolarHBondContact O-N 3.47Å; C560-C676 HydrophobicContact CB-CB 3.66Å; C560-C676 WeakPolarHBondContact CB-SG 3.37Å; C560-C676 WeakPolarHBondContact SG-CB 3.4Å; C560-C676 CovalentContact SG-SG 2.02Å; C560-C676 PolarHBondContact SG-SG 2.73Å; C560-W678 HydrophobicContact CB-CZ2 4.41Å; C560-W678 PolarHBondContact O-NE1 3.28Å
561	L	91.7	Very high	89.9	Confident	18 Å²	18	60.2 Å²	60.2	9%	0.094	33%	0.325	C	S	.	.	S	Bend	trans	-110	154.3	177.3	-57.9	178.4	0	0	0	109.9	L552 A555 A556 N559 A565 W570 L577 W678	L552-L561 HydrophobicContact CB-CD1 4.17Å; L552-L561 HydrophobicContact CD1-CD2 4.32Å; A555-L561 HydrophobicContact CB-CD2 4.33Å; A555-L561 HydrophobicContact CB-CG 4.27Å; A556-L561 HydrophobicContact CB-CD1 3.93Å; N559-L561 PolarHBondContact O-N 3.17Å; L561-A565 HydrophobicContact CB-CB 3.59Å; L561-A565 HydrophobicContact CD1-CB 3.88Å; L561-A565 HydrophobicContact CG-CB 4.4Å; L561-W570 HydrophobicContact CD1-CH2 4Å; L561-W570 HydrophobicContact CD1-CZ2 4.02Å; L561-L577 HydrophobicContact CD2-CD2 4.17Å; L561-W678 HydrophobicContact CD2-CZ2 4.21Å
562	A	91.8	Very high	90	Very high	21 Å²	21	64 Å²	64	17%	0.174	34%	0.335	C	S	.	.			trans	-63	155.3	177.1	0	0	0	0	0	110.7	S564 A565 D680	A562-S564 PolarHBondContact O-N 2.75Å; A562-A565 WeakPolarHBondContact O-CB 3.34Å; A562-A565 PolarHBondContact O-N 1.99Å; A562-D680 HydrophobicContact CB-CB 4.07Å; A562-D680 PolarHBondContact N-OD2 3.18Å
563	S	91.3	Very high	90	Very high	100 Å²	100	65.6 Å²	65.6	70%	0.699	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-55.7	-27.5	-174	58.4	0	0	0	0	114.5	A565 R566	S563-A565 PolarHBondContact O-N 3.5Å; S563-R566 WeakPolarHBondContact O-CB 3.46Å; S563-R566 PolarHBondContact O-N 3.44Å
564	S	91.9	Very high	90.3	Very high	30 Å²	30	66 Å²	66	21%	0.21	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-64.2	-21.2	174	65.9	0	0	0	0	114.1	A562 R566 S567 A568 R575 D683	A562-S564 PolarHBondContact O-N 2.75Å; S564-R566 PolarHBondContact O-N 2.76Å; S564-S567 PolarHBondContact O-N 3Å; S564-S567 PolarHBondContact O-OG 3.1Å; S564-S567 VanDerWaalsContact O-OG 3.13Å; S564-A568 PolarHBondContact O-N 3.04Å; S564-R575 PolarHBondContact OG-NH1 3.49Å; S564-R575 PolarHBondContact OG-NH2 2.76Å; S564-D683 WeakPolarHBondContact CB-OD2 3.25Å; S564-D683 VanDerWaalsContact OG-CG 3.29Å; S564-D683 PolarHBondContact OG-OD1 3.16Å; S564-D683 PolarHBondContact OG-OD2 3.3Å
565	A	91.8	Very high	90.7	Very high	4 Å²	4	64.7 Å²	64.7	3%	0.033	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-64.8	-24.6	175.9	0	0	0	0	0	112.4	L561 A562 S563 S567 A568 W570	L561-A565 HydrophobicContact CB-CB 3.59Å; L561-A565 HydrophobicContact CD1-CB 3.88Å; L561-A565 HydrophobicContact CG-CB 4.4Å; A562-A565 WeakPolarHBondContact O-CB 3.34Å; A562-A565 PolarHBondContact O-N 1.99Å; S563-A565 PolarHBondContact O-N 3.5Å; A565-S567 PolarHBondContact O-N 3.32Å; A565-A568 WeakPolarHBondContact O-CB 3.22Å; A565-A568 PolarHBondContact O-N 3.4Å; A565-W570 PolarHBondContact O-NE1 2.88Å
566	R	90.3	Very high	91.1	Very high	197 Å²	197	67.5 Å²	67.5	74%	0.743	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-65.4	-27.2	176.7	-64.8	-178.3	176.9	178.3	-0.7	113.1	N559 S563 S564	N559-R566 PolarHBondContact OD1-NH2 3.33Å; S563-R566 WeakPolarHBondContact O-CB 3.46Å; S563-R566 PolarHBondContact O-N 3.44Å; S564-R566 PolarHBondContact O-N 2.76Å
567	S	92	Very high	91.5	Very high	109 Å²	109	65.8 Å²	65.8	76%	0.762	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-104.2	10	177.4	54.6	0	0	0	0	113.2	S564 A565	S564-S567 PolarHBondContact O-N 3Å; S564-S567 PolarHBondContact O-OG 3.1Å; S564-S567 VanDerWaalsContact O-OG 3.13Å; A565-S567 PolarHBondContact O-N 3.32Å
568	A	91.7	Very high	92.1	Very high	32 Å²	32	59.2 Å²	59.2	26%	0.264	31%	0.313	S	S	.	.	S	Bend	trans	-71.6	158.3	177.4	0	0	0	0	0	112	L549 S564 A565 W570	L549-A568 HydrophobicContact CD1-CB 3.76Å; L549-A568 HydrophobicContact CD2-CB 4.42Å; S564-A568 PolarHBondContact O-N 3.04Å; A565-A568 WeakPolarHBondContact O-CB 3.22Å; A565-A568 PolarHBondContact O-N 3.4Å; A568-W570 VanDerWaalsContact C-N 3.32Å; A568-W570 PolarHBondContact O-N 3.19Å
569	N	92.4	Very high	92.8	Very high	120 Å²	120	58.3 Å²	58.3	64%	0.642	31%	0.309	S	S	*	.			trans	-83.5	67	-177.2	-174.1	23.3	0	0	0	112.4	Y572	N569-Y572 CarbonylContact O-C 3.49Å; N569-Y572 WeakPolarHBondContact O-CA 3.42Å; N569-Y572 PolarHBondContact O-N 3.43Å
570	W	93.9	Very high	93.2	Very high	60 Å²	60	54.3 Å²	54.3	23%	0.227	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	136.6	-180	-66.4	86.1	0	0	0	112.4	L549 L552 Y553 A556 L561 A565 A568	L549-W570 HydrophobicContact CB-CD2 4.17Å; L549-W570 HydrophobicContact CB-CE3 3.82Å; L549-W570 HydrophobicContact CB-CH2 4.44Å; L549-W570 HydrophobicContact CB-CZ3 4Å; L549-W570 HydrophobicContact CD1-CD2 4.39Å; L549-W570 HydrophobicContact CD2-CD2 4.32Å; L549-W570 HydrophobicContact CD2-CE3 4.46Å; L549-W570 HydrophobicContact CD2-CH2 3.87Å; L549-W570 HydrophobicContact CD2-CZ2 3.69Å; L549-W570 HydrophobicContact CD2-CZ3 4.29Å; L549-W570 WeakPolarHBondContact O-CZ3 3.47Å; L552-W570 HydrophobicContact CB-CH2 3.9Å; L552-W570 HydrophobicContact CB-CZ3 4.26Å; Y553-W570 AromaticContact CD1-CE3 3.96Å; Y553-W570 HydrophobicContact CD1-CE3 3.96Å; Y553-W570 AromaticContact CD1-CZ3 3.95Å; Y553-W570 HydrophobicContact CD1-CZ3 3.95Å; Y553-W570 HydrophobicContact CD2-CZ3 4.45Å; Y553-W570 HydrophobicContact CE1-CD2 4.45Å; Y553-W570 AromaticContact CE1-CE3 3.63Å; Y553-W570 HydrophobicContact CE1-CE3 3.63Å; Y553-W570 HydrophobicContact CE1-CZ3 4.1Å; Y553-W570 HydrophobicContact CE2-CE3 4.38Å; Y553-W570 HydrophobicContact CG-CE3 4.46Å; Y553-W570 HydrophobicContact CG-CZ3 4.13Å; Y553-W570 AromaticContact CZ-CE3 3.86Å; A556-W570 HydrophobicContact CB-CH2 3.71Å; A556-W570 HydrophobicContact CB-CZ2 3.81Å; L561-W570 HydrophobicContact CD1-CH2 4Å; L561-W570 HydrophobicContact CD1-CZ2 4.02Å; A565-W570 PolarHBondContact O-NE1 2.88Å; A568-W570 VanDerWaalsContact C-N 3.32Å; A568-W570 PolarHBondContact O-N 3.19Å
571	P	92.6	Very high	93.6	Very high	45 Å²	45	54.2 Å²	54.2	29%	0.292	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	cis	-88.1	7	0.6	33	-35.4	0	0	0	115.7	H550	H550-P571 HydrophobicContact CB-CB 3.88Å; H550-P571 PolarHBondContact N-O 2.82Å
572	Y	94.1	Very high	93.7	Very high	172 Å²	172	53.4 Å²	53.4	68%	0.675	28%	0.283	S	S	*	.	S	Bend	trans	-95.2	133.5	-168.2	-53.2	-77.7	0	0	0	113.4	L549 N569	L549-Y572 WeakPolarHBondContact CD1-O 3.26Å; N569-Y572 CarbonylContact O-C 3.49Å; N569-Y572 WeakPolarHBondContact O-CA 3.42Å; N569-Y572 PolarHBondContact O-N 3.43Å
573	G	93.1	Very high	93.9	Very high	34 Å²	34	53.4 Å²	53.4	35%	0.351	28%	0.279	S	S	.	.	S	Bend	trans	114.1	-174.5	-178.7	0	0	0	0	0	111.3	P548 L549	P548-G573 CarbonylContact C-O 3.6Å; P548-G573 VanDerWaalsContact CA-O 3.26Å; P548-G573 WeakPolarHBondContact CA-O 3.35Å; L549-G573 PolarHBondContact N-O 2.67Å
574	H	94.8	Very high	94.1	Very high	118 Å²	118	48.7 Å²	48.7	55%	0.546	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	155.2	-172.8	-58.6	72.5	0	0	0	110	R547	R547-H574 CarbonylContact O-C 3.56Å; R547-H574 VanDerWaalsContact O-CA 3.29Å; R547-H574 WeakPolarHBondContact O-CA 3.3Å
575	R	95.9	Very high	94.3	Very high	13 Å²	13	48.2 Å²	48.2	5%	0.049	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	142.9	166	-59.4	-62.1	-69.6	-177.6	-5.6	108.6	D546 R547 L549 L552 S564 L577 D680 T682 D683	D546-R575 CarbonylContact C-O 3.44Å; D546-R575 WeakPolarHBondContact CA-O 3.46Å; R547-R575 PolarHBondContact N-O 2.96Å; R547-R575 PolarHBondContact O-N 3.02Å; L549-R575 HydrophobicContact CD2-CG 3.6Å; L552-R575 HydrophobicContact CD1-CB 3.8Å; L552-R575 HydrophobicContact CD1-CG 3.74Å; S564-R575 PolarHBondContact OG-NH1 3.49Å; S564-R575 PolarHBondContact OG-NH2 2.76Å; R575-L577 HydrophobicContact CB-CD2 3.95Å; R575-D680 IonicContact CZ-OD1 3.18Å; R575-D680 IonicContact CZ-OD2 2.74Å; R575-D680 IonicContact NE-OD1 3.45Å; R575-D680 PolarHBondContact NE-OD1 3.34Å; R575-D680 IonicContact NE-OD2 2.71Å; R575-D680 PolarHBondContact NE-OD2 3.27Å; R575-D680 VanDerWaalsContact NH2-CG 3.26Å; R575-D680 IonicContact NH2-OD1 3.55Å; R575-D680 PolarHBondContact NH2-OD1 3Å; R575-D680 IonicContact NH2-OD2 2.66Å; R575-D680 PolarHBondContact NH2-OD2 2.81Å; R575-T682 WeakPolarHBondContact CA-OG1 3.1Å; R575-T682 PolarHBondContact NE-OG1 2.94Å; R575-D683 IonicContact NH2-OD2 3.61Å
576	R	95.9	Very high	94.5	Very high	58 Å²	58	48 Å²	48	22%	0.219	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	119.1	175.7	-173.8	167.1	-75.5	176.4	-7.1	109.7	I544 D546 I681 T682 Y717 G719	I544-R576 HydrophobicContact CG2-CG 3.46Å; I544-R576 VanDerWaalsContact CG2-CG 3.46Å; D546-R576 WeakPolarHBondContact OD1-CA 3.42Å; D546-R576 VanDerWaalsContact OD1-CB 3.26Å; D546-R576 WeakPolarHBondContact OD1-CB 3.32Å; D546-R576 VanDerWaalsContact OD1-CG 3.31Å; D546-R576 WeakPolarHBondContact OD1-CG 2.97Å; D546-R576 IonicContact OD1-CZ 3.49Å; D546-R576 IonicContact OD1-NE 3.24Å; D546-R576 PolarHBondContact OD1-NE 2.79Å; D546-R576 IonicContact OD1-NH2 3.41Å; D546-R576 PolarHBondContact OD1-NH2 2.84Å; D546-R576 IonicContact OD2-CZ 2.81Å; D546-R576 IonicContact OD2-NE 2.88Å; D546-R576 IonicContact OD2-NH2 2.87Å; D546-R576 PolarHBondContact OD2-NH2 3.4Å; R576-I681 HydrophobicContact CB-CG1 4.23Å; R576-I681 HydrophobicContact CG-CD1 3.96Å; R576-I681 HydrophobicContact CG-CG1 3.75Å; R576-I681 WeakPolarHBondContact O-CG1 3.33Å; R576-I681 PolarHBondContact O-N 3.4Å; R576-T682 PolarHBondContact N-OG1 3.13Å; R576-T682 PolarHBondContact O-N 2.66Å; R576-Y717 WeakPolarHBondContact CD-OH 3.25Å; R576-Y717 PolarHBondContact NH1-OH 3.27Å; R576-G719 PolarHBondContact NH1-O 3.48Å
577	L	96.1	Very high	94.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	126.6	-170.8	-51.1	179.4	0	0	0	109.4	I544 E545 R547 L552 L561 R575 W678 D680	I544-L577 CarbonylContact C-O 3.57Å; I544-L577 WeakPolarHBondContact CA-O 3.4Å; E545-L577 PolarHBondContact N-O 2.96Å; E545-L577 PolarHBondContact O-N 2.78Å; R547-L577 HydrophobicContact CB-CD1 3.95Å; L552-L577 HydrophobicContact CD2-CD1 4.14Å; L561-L577 HydrophobicContact CD2-CD2 4.17Å; R575-L577 HydrophobicContact CB-CD2 3.95Å; L577-W678 HydrophobicContact CB-CB 4.09Å; L577-W678 HydrophobicContact CB-CD2 4.48Å; L577-W678 HydrophobicContact CB-CG 4.05Å; L577-W678 HydrophobicContact CD1-CD2 3.91Å; L577-W678 HydrophobicContact CD1-CE3 4.17Å; L577-W678 HydrophobicContact CD1-CG 4.29Å; L577-W678 HydrophobicContact CD1-CH2 4.39Å; L577-W678 HydrophobicContact CD1-CZ2 4.19Å; L577-W678 HydrophobicContact CD1-CZ3 4.37Å; L577-W678 HydrophobicContact CD2-CD2 4.48Å; L577-W678 HydrophobicContact CD2-CG 4.22Å; L577-W678 HydrophobicContact CG-CG 4.41Å; L577-D680 HydrophobicContact CD2-CB 4.07Å
578	L	96.6	Very high	94.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	107.2	167	171.8	57.3	0	0	0	108.8	I621 W678 I679 I681 I722	L578-I621 HydrophobicContact CD2-CD1 3.88Å; L578-W678 CarbonylContact O-C 3.52Å; L578-W678 WeakPolarHBondContact O-CA 3.09Å; L578-W678 WeakPolarHBondContact O-CB 2.88Å; L578-I679 PolarHBondContact N-O 3.08Å; L578-I679 PolarHBondContact O-N 3.45Å; L578-I681 HydrophobicContact CB-CD1 4.2Å; L578-I681 HydrophobicContact CB-CG1 4.4Å; L578-I681 HydrophobicContact CB-CG2 3.99Å; L578-I722 HydrophobicContact CD1-CD1 3.69Å; L578-I722 HydrophobicContact CD1-CG1 4.39Å; L578-I722 HydrophobicContact CD1-CG2 3.92Å; L578-I722 HydrophobicContact CD2-CD1 3.65Å; L578-I722 HydrophobicContact CG-CD1 4.18Å
579	R	96.1	Very high	94.6	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.008	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	151.4	179.6	-71.1	177.3	173.3	-81.2	-2.4	111.6	A542 Y543 E545 H672 I674 W678	A542-R579 CarbonylContact C-O 3.54Å; A542-R579 VanDerWaalsContact CA-O 3.24Å; A542-R579 WeakPolarHBondContact CA-O 3.47Å; Y543-R579 HydrophobicContact CD1-CB 4.31Å; Y543-R579 HydrophobicContact CE1-CB 3.89Å; Y543-R579 HydrophobicContact CE2-CB 4.21Å; Y543-R579 HydrophobicContact CE2-CG 4.5Å; Y543-R579 VanDerWaalsContact CZ-CD 3.5Å; Y543-R579 PolarHBondContact N-O 2.86Å; Y543-R579 PolarHBondContact O-N 3.42Å; Y543-R579 VanDerWaalsContact OH-CD 3.23Å; Y543-R579 WeakPolarHBondContact OH-CD 3.01Å; E545-R579 IonicContact OE2-CZ 2.81Å; E545-R579 VanDerWaalsContact OE2-CZ 3.26Å; E545-R579 IonicContact OE2-NE 3.64Å; E545-R579 PolarHBondContact OE2-NE 2.93Å; E545-R579 IonicContact OE2-NH2 3.42Å; E545-R579 PolarHBondContact OE2-NH2 2.72Å; R579-H672 HydrophobicContact CB-CB 4.41Å; R579-H672 WeakPolarHBondContact CD-O 3.38Å; R579-H672 PolarHBondContact NH1-O 2.82Å; R579-I674 PolarHBondContact NH1-O 2.75Å; R579-W678 HydrophobicContact CG-CB 3.95Å; R579-W678 VanDerWaalsContact CZ-CE3 3.44Å; R579-W678 VanDerWaalsContact NH1-CE3 3.35Å
580	F	96.3	Very high	94.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.152	C	C	.	.			trans	-165.8	151.3	173.2	55	-89.5	0	0	0	109.9	V538 A542 Y619 Q677 I679 L691 V693	V538-F580 HydrophobicContact CG1-CB 4.07Å; V538-F580 HydrophobicContact CG1-CD2 3.85Å; V538-F580 HydrophobicContact CG1-CG 4.03Å; V538-F580 HydrophobicContact CG2-CD2 4.26Å; A542-F580 HydrophobicContact CB-CB 4.35Å; F580-Y619 HydrophobicContact CE2-CD1 4.22Å; F580-Y619 HydrophobicContact CE2-CE1 4.11Å; F580-Y619 AromaticContact CZ-CD1 3.83Å; F580-Y619 HydrophobicContact CZ-CD1 3.83Å; F580-Y619 AromaticContact CZ-CD2 3.92Å; F580-Y619 HydrophobicContact CZ-CD2 3.92Å; F580-Y619 HydrophobicContact CZ-CE1 4.11Å; F580-Y619 HydrophobicContact CZ-CE2 4.18Å; F580-Y619 AromaticContact CZ-CG 3.74Å; F580-Y619 HydrophobicContact CZ-CG 3.74Å; F580-Q677 WeakPolarHBondContact O-CG 3.18Å; F580-Q677 PolarHBondContact O-NE2 2.86Å; F580-I679 HydrophobicContact CE1-CD1 4.39Å; F580-I679 HydrophobicContact CE1-CG1 4.26Å; F580-L691 HydrophobicContact CE1-CD1 4.38Å; F580-V693 HydrophobicContact CE2-CG2 3.81Å; F580-V693 HydrophobicContact CZ-CG2 3.96Å
581	S	95.7	Very high	94.6	Very high	6 Å²	6	30.8 Å²	30.8	4%	0.042	15%	0.151	C	C	.	.			trans	-81.2	143.7	174	-65.4	0	0	0	0	110.6	V538 T541 Y670 H672	V538-S581 VanDerWaalsContact CG2-O 3.26Å; V538-S581 WeakPolarHBondContact CG2-O 3.49Å; T541-S581 WeakPolarHBondContact OG1-CB 3.49Å; T541-S581 PolarHBondContact OG1-N 3Å; S581-Y670 CarbonylContact C-O 3.58Å; S581-Y670 VanDerWaalsContact CA-O 3.24Å; S581-Y670 WeakPolarHBondContact CA-O 3.49Å; S581-H672 PolarHBondContact OG-CD2 2.91Å; S581-H672 VanDerWaalsContact OG-CD2 3.27Å; S581-H672 PolarHBondContact OG-N 3.41Å
582	S	94.1	Very high	94.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	118.6	169.8	53.1	0	0	0	0	110.3	Y670 Q677	S582-Y670 PolarHBondContact N-O 2.93Å; S582-Y670 PolarHBondContact O-N 2.84Å; S582-Y670 WeakPolarHBondContact OG-CB 3.04Å; S582-Q677 PolarHBondContact OG-NE2 2.75Å
583	Q	95	Very high	94.6	Very high	22 Å²	22	26.2 Å²	26.2	10%	0.103	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	116.8	173.8	-178.8	-176.3	69	0	0	108.8	H534 L537 H585 W667 D668 L669	H534-Q583 HydrophobicContact CB-CB 4.07Å; H534-Q583 HydrophobicContact CB-CG 4.45Å; H534-Q583 PolarHBondContact N-O 2.84Å; H534-Q583 PolarHBondContact ND1-OE1 2.99Å; L537-Q583 HydrophobicContact CD2-CB 3.56Å; Q583-H585 VanDerWaalsContact CD-NE2 3.35Å; Q583-H585 PolarHBondContact OE1-NE2 2.84Å; Q583-W667 HydrophobicContact CG-CB 3.94Å; Q583-W667 VanDerWaalsContact CG-CD1 3.48Å; Q583-W667 HydrophobicContact CG-CG 3.72Å; Q583-W667 VanDerWaalsContact NE2-CD1 3.27Å; Q583-D668 WeakPolarHBondContact CA-O 3.46Å; Q583-L669 HydrophobicContact CB-CD1 3.92Å; Q583-L669 HydrophobicContact CG-CD1 4.47Å
584	I	95.3	Very high	94.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	113	-175.5	-59.3	88.5	0	0	0	108.4	L531 L533 F616 I662 W667 D668 Y670 I695	L531-I584 HydrophobicContact CB-CG2 3.94Å; L531-I584 HydrophobicContact CD1-CG2 4.19Å; L531-I584 HydrophobicContact CD2-CG2 4.14Å; L531-I584 HydrophobicContact CG-CG2 4.33Å; L533-I584 HydrophobicContact CD1-CD1 4.37Å; L533-I584 HydrophobicContact CD1-CG1 4.05Å; I584-F616 HydrophobicContact CB-CE1 4.43Å; I584-F616 HydrophobicContact CD1-CE1 4.05Å; I584-F616 HydrophobicContact CG1-CE1 4.04Å; I584-F616 HydrophobicContact CG1-CZ 4.46Å; I584-F616 HydrophobicContact CG2-CE1 4.46Å; I584-F616 HydrophobicContact CG2-CZ 4.09Å; I584-I662 HydrophobicContact CG2-CD1 4.39Å; I584-W667 CarbonylContact O-C 3.56Å; I584-W667 WeakPolarHBondContact O-CA 3.47Å; I584-W667 VanDerWaalsContact O-CB 3.23Å; I584-W667 WeakPolarHBondContact O-CB 3.2Å; I584-D668 PolarHBondContact N-O 2.84Å; I584-D668 PolarHBondContact O-N 2.02Å; I584-Y670 HydrophobicContact CD1-CD2 3.84Å; I584-Y670 HydrophobicContact CD1-CE2 4.14Å; I584-I695 HydrophobicContact CB-CD1 4.42Å; I584-I695 HydrophobicContact CG1-CD1 3.85Å; I584-I695 HydrophobicContact CG1-CG1 4.14Å; I584-I695 HydrophobicContact CG2-CD1 3.88Å; I584-I695 HydrophobicContact CG2-CG2 4.26Å
585	H	95.7	Very high	93.8	Very high	20 Å²	20	25.3 Å²	25.3	9%	0.093	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	141.4	178.7	-70.2	-106	0	0	0	110.6	M366 L531 L532 Q583 L587 W667	M366-H585 HydrophobicContact CE-CB 4.19Å; L531-H585 VanDerWaalsContact CA-O 3.27Å; L531-H585 WeakPolarHBondContact CA-O 2.98Å; L532-H585 PolarHBondContact N-O 2.93Å; L532-H585 PolarHBondContact O-N 2.93Å; Q583-H585 VanDerWaalsContact CD-NE2 3.35Å; Q583-H585 PolarHBondContact OE1-NE2 2.84Å; H585-L587 HydrophobicContact CB-CD1 4.49Å; H585-L587 HydrophobicContact CB-CD2 4.17Å; H585-L587 HydrophobicContact CB-CG 3.97Å; H585-W667 HydrophobicContact CB-CB 4.39Å; H585-W667 AromaticContact CE1-CD2 3.57Å; H585-W667 AromaticContact CE1-CE3 3.31Å; H585-W667 AromaticContact CE1-CG 3.89Å; H585-W667 AromaticContact ND1-CD2 3.97Å; H585-W667 AromaticContact ND1-CE3 3.45Å
586	N	96.3	Very high	93.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	101.4	162.8	-178.9	12.3	0	0	0	110	D530 L531 G588 A590 F592 I662 G665 C666	D530-N586 PolarHBondContact N-OD1 3.12Å; D530-N586 CarbonylContact O-C 3.54Å; D530-N586 WeakPolarHBondContact O-CA 3.44Å; L531-N586 HydrophobicContact CD2-CB 3.97Å; N586-G588 PolarHBondContact OD1-N 3.14Å; N586-G588 VanDerWaalsContact OD1-N 3.16Å; N586-A590 PolarHBondContact ND2-O 2.83Å; N586-F592 PolarHBondContact ND2-N 2.94Å; N586-I662 HydrophobicContact CB-CB 4.19Å; N586-I662 HydrophobicContact CB-CG2 3.7Å; N586-I662 PolarHBondContact ND2-O 2.91Å; N586-G665 PolarHBondContact O-N 2.96Å; N586-C666 PolarHBondContact N-O 3.47Å
587	L	94.4	Very high	92.4	Very high	6 Å²	6	25.4 Å²	25.4	3%	0.031	13%	0.133	C	C	.	.			trans	-103	12.4	179.8	-60.6	-174.5	0	0	0	112.8	G363 Q364 G365 M366 D530 L532 H585	G363-L587 CarbonylContact C-O 3.57Å; G363-L587 VanDerWaalsContact CA-O 3.24Å; G363-L587 WeakPolarHBondContact CA-O 3.48Å; Q364-L587 HydrophobicContact CB-CB 4.01Å; Q364-L587 HydrophobicContact CB-CD1 4.5Å; Q364-L587 HydrophobicContact CB-CD2 4.17Å; Q364-L587 HydrophobicContact CB-CG 4.45Å; Q364-L587 PolarHBondContact N-O 2.86Å; G365-L587 WeakPolarHBondContact O-CD1 3.43Å; M366-L587 HydrophobicContact CB-CD1 4.15Å; M366-L587 HydrophobicContact CE-CD1 4.04Å; D530-L587 PolarHBondContact O-N 2.87Å; L532-L587 HydrophobicContact CD1-CB 3.94Å; L532-L587 HydrophobicContact CD1-CD1 4.1Å; L532-L587 HydrophobicContact CD1-CG 4.2Å; L532-L587 HydrophobicContact CD2-CD1 4.37Å; H585-L587 HydrophobicContact CB-CD1 4.49Å; H585-L587 HydrophobicContact CB-CD2 4.17Å; H585-L587 HydrophobicContact CB-CG 3.97Å
588	G	92.5	Very high	91.8	Very high	5 Å²	5	29.9 Å²	29.9	5%	0.052	15%	0.15	C	C	.	.	S	Bend	trans	-79.6	-151.7	-179.6	0	0	0	0	0	113.1	D530 N586 V664	D530-G588 VanDerWaalsContact CB-CA 3.47Å; N586-G588 PolarHBondContact OD1-N 3.14Å; N586-G588 VanDerWaalsContact OD1-N 3.16Å; G588-V664 VanDerWaalsContact O-CG1 3.27Å; G588-V664 WeakPolarHBondContact O-CG1 3.43Å
589	R	90.8	Very high	91.1	Very high	80 Å²	80	38.4 Å²	38.4	30%	0.302	19%	0.189	S	C	.	.	S	Bend	trans	-121.3	1.3	-178.9	-66.5	179.2	59.1	-170.4	-16.6	113.9	R361 T527 A528	R361-R589 WeakPolarHBondContact O-CD 3.03Å; R361-R589 PolarHBondContact O-NE 2.77Å; R361-R589 VanDerWaalsContact O-NE 3.12Å; R361-R589 PolarHBondContact O-NH1 2.04Å; T527-R589 HydrophobicContact CG2-CB 3.93Å; A528-R589 PolarHBondContact O-N 2.72Å
590	A	92.1	Very high	90.5	Very high	24 Å²	24	40.7 Å²	40.7	20%	0.198	21%	0.206	C	C	.	.	S	Bend	trans	-139.8	152.9	175.2	0	0	0	0	0	109.7	A528 S529 N586 F592 V664	A528-A590 PolarHBondContact O-N 2.97Å; S529-A590 WeakPolarHBondContact CA-O 3.43Å; S529-A590 WeakPolarHBondContact CB-O 3.32Å; N586-A590 PolarHBondContact ND2-O 2.83Å; A590-F592 PolarHBondContact O-N 3.15Å; A590-V664 WeakPolarHBondContact O-CG2 3.25Å
591	D	94.4	Very high	89.9	Confident	41 Å²	41	41.6 Å²	41.6	22%	0.219	21%	0.209	C	C	.	.			trans	-61.9	132.5	174.4	-65.7	-10.2	0	0	0	109.1	R593 R651 Y652 I662 T663 V664	D591-R593 HydrophobicContact CB-CG 4.5Å; D591-R651 IonicContact OD2-NH1 2.8Å; D591-R651 PolarHBondContact OD2-NH1 2.82Å; D591-Y652 HydrophobicContact CB-CE2 3.86Å; D591-Y652 WeakPolarHBondContact CB-OH 3.48Å; D591-Y652 PolarHBondContact OD2-OH 3.11Å; D591-Y652 VanDerWaalsContact OD2-OH 3.08Å; D591-I662 WeakPolarHBondContact CA-O 3.36Å; D591-T663 VanDerWaalsContact OD1-CA 3.31Å; D591-T663 WeakPolarHBondContact OD1-CA 3.21Å; D591-V664 PolarHBondContact OD1-N 3.3Å; D591-V664 VanDerWaalsContact OD1-N 3.11Å
592	F	94.1	Very high	89.2	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-73.9	127.3	173	-179.1	-91.1	0	0	0	108.4	S529 L531 N586 A590 M613 F616 L639 G661 I662 V701	S529-F592 WeakPolarHBondContact OG-CD2 3.28Å; L531-F592 HydrophobicContact CD1-CD1 4.19Å; L531-F592 HydrophobicContact CD1-CD2 3.48Å; L531-F592 VanDerWaalsContact CD1-CD2 3.48Å; L531-F592 HydrophobicContact CD1-CE1 4.12Å; L531-F592 HydrophobicContact CD1-CE2 3.38Å; L531-F592 HydrophobicContact CD1-CG 3.9Å; L531-F592 HydrophobicContact CD1-CZ 3.73Å; L531-F592 HydrophobicContact CD2-CB 3.93Å; L531-F592 HydrophobicContact CD2-CD2 3.98Å; L531-F592 HydrophobicContact CD2-CG 3.97Å; L531-F592 HydrophobicContact CG-CD2 3.74Å; L531-F592 HydrophobicContact CG-CE2 4.07Å; L531-F592 HydrophobicContact CG-CG 4.21Å; N586-F592 PolarHBondContact ND2-N 2.94Å; A590-F592 PolarHBondContact O-N 3.15Å; F592-M613 HydrophobicContact CE1-SD 3.98Å; F592-M613 HydrophobicContact CZ-SD 4.04Å; F592-F616 AromaticContact CE1-CE2 3.81Å; F592-F616 HydrophobicContact CE1-CE2 3.81Å; F592-F616 AromaticContact CZ-CE2 3.89Å; F592-F616 HydrophobicContact CZ-CE2 3.89Å; F592-L639 HydrophobicContact CD1-CD1 4.12Å; F592-L639 HydrophobicContact CE1-CD1 3.79Å; F592-L639 HydrophobicContact CE1-CD2 4.45Å; F592-G661 CarbonylContact O-C 3.52Å; F592-G661 WeakPolarHBondContact O-CA 3.36Å; F592-I662 HydrophobicContact CB-CB 4.28Å; F592-I662 PolarHBondContact N-O 3.13Å; F592-I662 PolarHBondContact O-N 2.99Å; F592-V701 HydrophobicContact CD2-CB 4.35Å; F592-V701 HydrophobicContact CD2-CG1 3.79Å; F592-V701 HydrophobicContact CE1-CG2 4.45Å; F592-V701 HydrophobicContact CE2-CB 3.48Å; F592-V701 VanDerWaalsContact CE2-CB 3.48Å; F592-V701 HydrophobicContact CE2-CG1 3.42Å; F592-V701 VanDerWaalsContact CE2-CG1 3.42Å; F592-V701 HydrophobicContact CE2-CG2 4.06Å; F592-V701 HydrophobicContact CZ-CB 3.69Å; F592-V701 HydrophobicContact CZ-CG1 3.94Å; F592-V701 HydrophobicContact CZ-CG2 3.73Å
593	R	90.6	Very high	88.5	Confident	121 Å²	121	51 Å²	51	46%	0.457	25%	0.252	S	S	.	.			trans	-132.6	142.1	-178.1	-61.4	-170.2	77.1	166.8	1.8	111.3	D591 K595 E659 V701	D591-R593 HydrophobicContact CB-CG 4.5Å; R593-K595 PolarHBondContact O-N 3.13Å; R593-E659 IonicContact CZ-OE2 3.14Å; R593-E659 IonicContact NH2-OE2 3.44Å; R593-E659 PolarHBondContact NH2-OE2 2.88Å; R593-V701 WeakPolarHBondContact O-CG1 3.25Å; R593-V701 WeakPolarHBondContact O-CG2 3.21Å
594	P	88.3	Confident	87.5	Confident	18 Å²	18	51.6 Å²	51.6	12%	0.117	26%	0.255	C	S	.	.			trans	-61	138.6	176.3	25.9	-33	0	0	0	110.1	A596 W601 M613 L639 Q660	P594-A596 PolarHBondContact O-N 2.99Å; P594-W601 HydrophobicContact CG-CZ2 4.11Å; P594-M613 HydrophobicContact CB-CG 4.09Å; P594-L639 HydrophobicContact CB-CD1 4.25Å; P594-L639 HydrophobicContact CG-CD1 4.43Å; P594-Q660 VanDerWaalsContact CD-O 3.31Å; P594-Q660 WeakPolarHBondContact CD-O 3.29Å; P594-Q660 HydrophobicContact CG-CB 4.41Å
595	K	84.7	Confident	86.3	Confident	116 Å²	116	59.9 Å²	59.9	50%	0.504	29%	0.294	S	S	.	.	S	Bend	trans	-59.9	-35.2	178.2	-179.2	179.5	-174.9	170.4	0	111.9	R593 V701	R593-K595 PolarHBondContact O-N 3.13Å; K595-V701 HydrophobicContact CB-CG2 4.34Å
596	A	79.9	Confident	85.2	Confident	39 Å²	39	60.9 Å²	60.9	32%	0.322	30%	0.303	S	S	.	.	S	Bend	trans	-95.9	134.9	-172.3	0	0	0	0	0	110.5	P594 S600 W601	P594-A596 PolarHBondContact O-N 2.99Å; A596-S600 WeakPolarHBondContact CB-OG 3.26Å; A596-W601 PolarHBondContact O-NE1 2.87Å
597	G	81.1	Confident	84	Confident	34 Å²	34	62.7 Å²	62.7	35%	0.351	31%	0.311	S	S	.	.			trans	-75.5	167.7	179.3	0	0	0	0	0	112.4	H599 S600 W601	G597-H599 PolarHBondContact O-N 2.68Å; G597-S600 PolarHBondContact O-N 3.26Å; G597-S600 PolarHBondContact O-OG 3.04Å; G597-W601 PolarHBondContact O-NE1 3.08Å
598	R	83.9	Confident	83	Confident	94 Å²	94	64.5 Å²	64.5	36%	0.355	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-44.6	-33	-177.7	-66.1	-179	-177	-138.1	4	116.3	S600 W601 F657 E659	R598-S600 PolarHBondContact O-N 3.25Å; R598-W601 HydrophobicContact CB-CD2 4.45Å; R598-W601 HydrophobicContact CB-CE3 4.48Å; R598-W601 HydrophobicContact CG-CD2 4.44Å; R598-W601 HydrophobicContact CG-CE3 4.23Å; R598-W601 HydrophobicContact CG-CH2 3.77Å; R598-W601 HydrophobicContact CG-CZ2 4Å; R598-W601 HydrophobicContact CG-CZ3 3.89Å; R598-W601 PolarHBondContact O-N 2.93Å; R598-F657 HydrophobicContact CB-CE1 4.17Å; R598-F657 HydrophobicContact CB-CE2 4.43Å; R598-F657 HydrophobicContact CB-CZ 3.73Å; R598-F657 HydrophobicContact CG-CZ 4.3Å; R598-F657 PolarHBondContact NH1-O 3Å; R598-E659 IonicContact CZ-OE1 3.29Å; R598-E659 IonicContact NE-OE1 3.56Å; R598-E659 PolarHBondContact NE-OE1 2.77Å; R598-E659 IonicContact NH2-OE1 3.83Å; R598-E659 PolarHBondContact NH2-OE1 3.2Å
599	H	82	Confident	82.2	Confident	178 Å²	178	66 Å²	66	82%	0.824	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-67	-17.8	-179.1	63.5	-87.2	0	0	0	114.2	G597	G597-H599 PolarHBondContact O-N 2.68Å
600	S	83.6	Confident	81.8	Confident	50 Å²	50	65.7 Å²	65.7	35%	0.35	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-103	-6	-179.6	62.2	0	0	0	0	113	A596 G597 R598	A596-S600 WeakPolarHBondContact CB-OG 3.26Å; G597-S600 PolarHBondContact O-N 3.26Å; G597-S600 PolarHBondContact O-OG 3.04Å; R598-S600 PolarHBondContact O-N 3.25Å
601	W	83.9	Confident	81.2	Confident	19 Å²	19	65.3 Å²	65.3	7%	0.072	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-72.5	135.6	-179	-59.3	-4.9	0	0	0	110.1	P594 A596 G597 R598 Y610 H611 F657 G658 Q660	P594-W601 HydrophobicContact CG-CZ2 4.11Å; A596-W601 PolarHBondContact O-NE1 2.87Å; G597-W601 PolarHBondContact O-NE1 3.08Å; R598-W601 HydrophobicContact CB-CD2 4.45Å; R598-W601 HydrophobicContact CB-CE3 4.48Å; R598-W601 HydrophobicContact CG-CD2 4.44Å; R598-W601 HydrophobicContact CG-CE3 4.23Å; R598-W601 HydrophobicContact CG-CH2 3.77Å; R598-W601 HydrophobicContact CG-CZ2 4Å; R598-W601 HydrophobicContact CG-CZ3 3.89Å; R598-W601 PolarHBondContact O-N 2.93Å; W601-Y610 HydrophobicContact CB-CD1 4.01Å; W601-Y610 HydrophobicContact CB-CG 4.42Å; W601-H611 VanDerWaalsContact CA-O 3.26Å; W601-H611 WeakPolarHBondContact CA-O 3.43Å; W601-H611 WeakPolarHBondContact CB-O 2.94Å; W601-F657 HydrophobicContact CE3-CD2 4.11Å; W601-F657 AromaticContact CE3-CE2 3.68Å; W601-F657 HydrophobicContact CE3-CE2 3.68Å; W601-F657 HydrophobicContact CZ3-CD2 4.32Å; W601-F657 HydrophobicContact CZ3-CE2 4.22Å; W601-G658 WeakPolarHBondContact CZ3-O 3.24Å; W601-Q660 HydrophobicContact CH2-CB 3.81Å; W601-Q660 HydrophobicContact CH2-CG 3.73Å; W601-Q660 HydrophobicContact CZ2-CB 4.14Å; W601-Q660 HydrophobicContact CZ2-CG 4.39Å; W601-Q660 HydrophobicContact CZ3-CB 4.44Å; W601-Q660 HydrophobicContact CZ3-CG 3.86Å
602	V	81.5	Confident	80.6	Confident	77 Å²	77	63.7 Å²	63.7	47%	0.467	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	124.9	-175.7	-177.9	0	0	0	0	108.8	Y610 H611	V602-Y610 CarbonylContact O-C 3.53Å; V602-Y610 WeakPolarHBondContact O-CA 3.34Å; V602-H611 PolarHBondContact N-O 2.72Å; V602-H611 VanDerWaalsContact N-O 3.11Å; V602-H611 PolarHBondContact O-N 2.93Å
603	W	79.3	Confident	79.9	Confident	127 Å²	127	64.1 Å²	64.1	48%	0.481	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	132.7	173.5	176.5	-96.2	0	0	0	110.1	G608 H609 Y610	W603-G608 WeakPolarHBondContact CH2-O 3.42Å; W603-G608 VanDerWaalsContact CZ2-C 3.44Å; W603-G608 VanDerWaalsContact CZ2-CA 3.48Å; W603-H609 VanDerWaalsContact CE3-C 3.47Å; W603-Y610 HydrophobicContact CB-CD1 3.97Å; W603-Y610 HydrophobicContact CB-CE1 3.72Å; W603-Y610 HydrophobicContact CD2-CE2 4.5Å; W603-Y610 HydrophobicContact CE3-CD1 4.38Å; W603-Y610 AromaticContact CE3-CD2 3.48Å; W603-Y610 HydrophobicContact CE3-CD2 3.48Å; W603-Y610 VanDerWaalsContact CE3-CD2 3.48Å; W603-Y610 HydrophobicContact CE3-CE1 4.35Å; W603-Y610 AromaticContact CE3-CE2 3.44Å; W603-Y610 HydrophobicContact CE3-CE2 3.44Å; W603-Y610 VanDerWaalsContact CE3-CE2 3.44Å; W603-Y610 AromaticContact CE3-CG 3.98Å; W603-Y610 HydrophobicContact CE3-CG 3.98Å; W603-Y610 AromaticContact CE3-CZ 3.9Å; W603-Y610 AromaticContact CZ3-CD2 3.89Å; W603-Y610 HydrophobicContact CZ3-CD2 3.89Å; W603-Y610 AromaticContact CZ3-CE2 3.88Å; W603-Y610 HydrophobicContact CZ3-CE2 3.88Å
604	H	72.4	Confident	79.1	Confident	34 Å²	34	64.2 Å²	64.2	16%	0.157	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	112.1	173.9	-148.8	-79.4	0	0	0	111.4	E558 C606 H607 G608 H609 H611	E558-H604 VanDerWaalsContact CD-ND1 3.28Å; E558-H604 WeakPolarHBondContact CG-CE1 3.46Å; E558-H604 WeakPolarHBondContact CG-NE2 3.38Å; E558-H604 IonicContact OE1-CD2 3.85Å; E558-H604 IonicContact OE1-CE1 3.4Å; E558-H604 PolarHBondContact OE1-CE1 3.31Å; E558-H604 IonicContact OE1-CG 3.93Å; E558-H604 IonicContact OE1-ND1 3.89Å; E558-H604 PolarHBondContact OE1-ND1 2.98Å; E558-H604 IonicContact OE1-NE2 2.76Å; H604-C606 PolarHBondContact O-N 3.11Å; H604-H607 AromaticContact ND1-ND1 3.9Å; H604-H607 PolarHBondContact O-N 2.73Å; H604-G608 PolarHBondContact O-N 3.26Å; H604-H609 PolarHBondContact N-O 3.08Å; H604-H611 WeakPolarHBondContact CB-NE2 2.85Å; H604-H611 AromaticContact CG-CE1 3.71Å; H604-H611 AromaticContact CG-NE2 3.98Å
605	E	71.2	Confident	78.8	Confident	175 Å²	175	65.6 Å²	65.6	82%	0.818	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-33.6	-173.6	-172.6	167.8	-174.4	0	0	112.4	H607	E605-H607 VanDerWaalsContact C-N 3.28Å; E605-H607 PolarHBondContact O-N 2.68Å
606	C	72.7	Confident	79	Confident	41 Å²	41	60.1 Å²	60.1	28%	0.277	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-24.5	-180	-70.2	0	0	0	0	114.4	C554 H604	C554-C606 WeakPolarHBondContact CA-SG 3.38Å; C554-C606 HydrophobicContact CB-CB 3.38Å; C554-C606 WeakPolarHBondContact CB-SG 3.24Å; C554-C606 WeakPolarHBondContact SG-CB 3.11Å; C554-C606 CovalentContact SG-SG 2.03Å; C554-C606 PolarHBondContact SG-SG 3.13Å; H604-C606 PolarHBondContact O-N 3.11Å
607	H	70.8	Confident	79.5	Confident	37 Å²	37	58.2 Å²	58.2	17%	0.171	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-7.4	-174.8	-54.3	139.7	0	0	0	113.7	E558 H604 E605 H609 F637	E558-H607 IonicContact OE1-CE1 2.78Å; E558-H607 PolarHBondContact OE1-CE1 3.13Å; E558-H607 IonicContact OE1-ND1 2.71Å; E558-H607 PolarHBondContact OE1-ND1 3.13Å; E558-H607 IonicContact OE1-NE2 3.18Å; E558-H607 PolarHBondContact OE1-NE2 2.69Å; E558-H607 IonicContact OE2-CE1 2.72Å; E558-H607 PolarHBondContact OE2-CE1 2.95Å; E558-H607 IonicContact OE2-ND1 3.18Å; H604-H607 AromaticContact ND1-ND1 3.9Å; H604-H607 PolarHBondContact O-N 2.73Å; E605-H607 VanDerWaalsContact C-N 3.28Å; E605-H607 PolarHBondContact O-N 2.68Å; H607-H609 VanDerWaalsContact C-N 3.29Å; H607-H609 VanDerWaalsContact CB-CE1 3.42Å; H607-H609 WeakPolarHBondContact CB-CE1 3.47Å; H607-H609 PolarHBondContact O-N 3.24Å; H607-H609 PolarHBondContact O-ND1 2.77Å; H607-F637 HydrophobicContact CB-CD1 4.44Å; H607-F637 HydrophobicContact CB-CE1 4.13Å; H607-F637 AromaticContact CD2-CE1 3.74Å; H607-F637 AromaticContact CD2-CZ 3.94Å; H607-F637 AromaticContact CE1-CE1 3.42Å; H607-F637 VanDerWaalsContact CE1-CE1 3.42Å; H607-F637 WeakPolarHBondContact CE1-CE1 3.44Å; H607-F637 AromaticContact CE1-CE2 3.56Å; H607-F637 AromaticContact CE1-CZ 2.87Å; H607-F637 WeakPolarHBondContact CE1-CZ 3.04Å; H607-F637 AromaticContact CG-CE1 3.44Å; H607-F637 VanDerWaalsContact CG-CE1 3.44Å; H607-F637 AromaticContact CG-CZ 3.76Å; H607-F637 AromaticContact ND1-CD1 3.96Å; H607-F637 AromaticContact ND1-CE1 3.24Å; H607-F637 WeakPolarHBondContact ND1-CE1 3.37Å; H607-F637 AromaticContact ND1-CE2 3.66Å; H607-F637 AromaticContact ND1-CZ 3.1Å; H607-F637 WeakPolarHBondContact ND1-CZ 3.1Å; H607-F637 AromaticContact NE2-CE1 3.72Å; H607-F637 AromaticContact NE2-CZ 3.42Å; H607-F637 WeakPolarHBondContact NE2-CZ 3.42Å
608	G	73.4	Confident	80	Confident	44 Å²	44	58.8 Å²	58.8	45%	0.454	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	66	29.6	174.6	0	0	0	0	0	113.7	W603 H604	W603-G608 WeakPolarHBondContact CH2-O 3.42Å; W603-G608 VanDerWaalsContact CZ2-C 3.44Å; W603-G608 VanDerWaalsContact CZ2-CA 3.48Å; H604-G608 PolarHBondContact O-N 3.26Å
609	H	75.4	Confident	80.5	Confident	38 Å²	38	54.3 Å²	54.3	18%	0.176	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	176.1	175.7	60.8	-104.6	0	0	0	112.9	W603 H604 H607 H611 F637	W603-H609 VanDerWaalsContact CE3-C 3.47Å; H604-H609 PolarHBondContact N-O 3.08Å; H607-H609 VanDerWaalsContact C-N 3.29Å; H607-H609 VanDerWaalsContact CB-CE1 3.42Å; H607-H609 WeakPolarHBondContact CB-CE1 3.47Å; H607-H609 PolarHBondContact O-N 3.24Å; H607-H609 PolarHBondContact O-ND1 2.77Å; H609-H611 AromaticContact CD2-CD2 3.97Å; H609-F637 PolarHBondContact CD2-O 3.47Å; H609-F637 AromaticContact CE1-CD1 3.55Å; H609-F637 VanDerWaalsContact NE2-C 3.31Å; H609-F637 AromaticContact NE2-CD1 3.49Å; H609-F637 WeakPolarHBondContact NE2-CD1 3.32Å; H609-F637 AromaticContact NE2-CG 3.69Å; H609-F637 PolarHBondContact NE2-O 3.4Å
610	Y	81.5	Confident	81.1	Confident	73 Å²	73	46.3 Å²	46.3	29%	0.286	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	133.5	-177.3	-77.4	-85.5	0	0	0	112.7	W601 V602 W603 F657 Q660	W601-Y610 HydrophobicContact CB-CD1 4.01Å; W601-Y610 HydrophobicContact CB-CG 4.42Å; V602-Y610 CarbonylContact O-C 3.53Å; V602-Y610 WeakPolarHBondContact O-CA 3.34Å; W603-Y610 HydrophobicContact CB-CD1 3.97Å; W603-Y610 HydrophobicContact CB-CE1 3.72Å; W603-Y610 HydrophobicContact CD2-CE2 4.5Å; W603-Y610 HydrophobicContact CE3-CD1 4.38Å; W603-Y610 AromaticContact CE3-CD2 3.48Å; W603-Y610 HydrophobicContact CE3-CD2 3.48Å; W603-Y610 VanDerWaalsContact CE3-CD2 3.48Å; W603-Y610 HydrophobicContact CE3-CE1 4.35Å; W603-Y610 AromaticContact CE3-CE2 3.44Å; W603-Y610 HydrophobicContact CE3-CE2 3.44Å; W603-Y610 VanDerWaalsContact CE3-CE2 3.44Å; W603-Y610 AromaticContact CE3-CG 3.98Å; W603-Y610 HydrophobicContact CE3-CG 3.98Å; W603-Y610 AromaticContact CE3-CZ 3.9Å; W603-Y610 AromaticContact CZ3-CD2 3.89Å; W603-Y610 HydrophobicContact CZ3-CD2 3.89Å; W603-Y610 AromaticContact CZ3-CE2 3.88Å; W603-Y610 HydrophobicContact CZ3-CE2 3.88Å; Y610-F657 HydrophobicContact CD1-CD2 4.46Å; Y610-F657 AromaticContact CD1-CE2 3.98Å; Y610-F657 HydrophobicContact CD1-CE2 3.98Å; Y610-F657 AromaticContact CD2-CD2 3.25Å; Y610-F657 HydrophobicContact CD2-CD2 3.25Å; Y610-F657 AromaticContact CD2-CE2 3.62Å; Y610-F657 HydrophobicContact CD2-CE2 3.62Å; Y610-F657 HydrophobicContact CD2-CG 4.28Å; Y610-F657 HydrophobicContact CE1-CE2 4.02Å; Y610-F657 HydrophobicContact CE2-CB 4.45Å; Y610-F657 AromaticContact CE2-CD2 3.36Å; Y610-F657 HydrophobicContact CE2-CD2 3.36Å; Y610-F657 AromaticContact CE2-CE2 3.66Å; Y610-F657 HydrophobicContact CE2-CE2 3.66Å; Y610-F657 HydrophobicContact CE2-CG 4.09Å; Y610-F657 AromaticContact CG-CD2 3.85Å; Y610-F657 HydrophobicContact CG-CD2 3.85Å; Y610-F657 AromaticContact CG-CE2 3.79Å; Y610-F657 HydrophobicContact CG-CE2 3.79Å; Y610-F657 AromaticContact CZ-CE2 3.87Å; Y610-Q660 PolarHBondContact O-NE2 2.88Å
611	H	79.6	Confident	81.6	Confident	16 Å²	16	44.1 Å²	44.1	7%	0.074	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	126	171.1	-60.4	179.8	0	0	0	110.4	E558 W601 V602 H604 H609 S636 F637	E558-H611 IonicContact OE2-CE1 2.76Å; W601-H611 VanDerWaalsContact CA-O 3.26Å; W601-H611 WeakPolarHBondContact CA-O 3.43Å; W601-H611 WeakPolarHBondContact CB-O 2.94Å; V602-H611 PolarHBondContact N-O 2.72Å; V602-H611 VanDerWaalsContact N-O 3.11Å; V602-H611 PolarHBondContact O-N 2.93Å; H604-H611 WeakPolarHBondContact CB-NE2 2.85Å; H604-H611 AromaticContact CG-CE1 3.71Å; H604-H611 AromaticContact CG-NE2 3.98Å; H609-H611 AromaticContact CD2-CD2 3.97Å; H611-S636 VanDerWaalsContact CA-O 3.25Å; H611-S636 WeakPolarHBondContact CA-O 3.35Å; H611-S636 WeakPolarHBondContact CB-O 3.43Å; H611-F637 PolarHBondContact CD2-O 3.09Å
612	S	82.6	Confident	82	Confident	7 Å²	7	44 Å²	44	5%	0.049	23%	0.225	C	C	.	.	S	Bend	trans	-97.6	-12.1	-177.9	61.1	0	0	0	0	115.2	S636 Q660	S612-S636 PolarHBondContact N-OG 2.92Å; S612-S636 PolarHBondContact OG-OG 3.36Å; S612-Q660 PolarHBondContact OG-OE1 2.76Å
613	M	79.3	Confident	82.4	Confident	9 Å²	9	41.6 Å²	41.6	4%	0.044	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	134	174.7	-58.4	179.2	56.5	0	0	109.3	F592 P594 F616 S636 L639 E700 V701	F592-M613 HydrophobicContact CE1-SD 3.98Å; F592-M613 HydrophobicContact CZ-SD 4.04Å; P594-M613 HydrophobicContact CB-CG 4.09Å; M613-F616 HydrophobicContact CE-CD2 4.26Å; M613-F616 HydrophobicContact SD-CD2 4.07Å; M613-S636 WeakPolarHBondContact CA-OG 3.5Å; M613-S636 VanDerWaalsContact CB-OG 3.29Å; M613-S636 WeakPolarHBondContact CB-OG 3.36Å; M613-S636 PolarHBondContact N-OG 3.14Å; M613-S636 PolarHBondContact O-N 3.36Å; M613-S636 PolarHBondContact O-OG 2.95Å; M613-L639 HydrophobicContact SD-CD1 4.11Å; M613-E700 HydrophobicContact CE-CB 4.25Å; M613-V701 HydrophobicContact CE-CG2 4.3Å; M613-V701 HydrophobicContact SD-CG2 4.3Å
614	D	74.3	Confident	82.6	Confident	123 Å²	123	38.5 Å²	38.5	66%	0.658	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68	-37.5	-177.7	-67.5	-27.3	0	0	0	112.3	A635	D614-A635 VanDerWaalsContact O-CA 3.25Å; D614-A635 WeakPolarHBondContact O-CA 3.25Å; D614-A635 VanDerWaalsContact O-CB 3.23Å; D614-A635 WeakPolarHBondContact O-CB 3.49Å
615	I	81.8	Confident	83.3	Confident	46 Å²	46	44.1 Å²	44.1	24%	0.236	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	106.6	178.1	-57.1	176.5	0	0	0	108.6	P697	I615-P697 HydrophobicContact CG2-CG 4.08Å
616	F	87.8	Confident	84	Confident	1 Å²	1	38.1 Å²	38.1	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-40.3	174.8	-175.9	-129.8	0	0	0	112	L531 I584 F592 M613 K634 L639 I662 Y670 I695 N696 P697	L531-F616 HydrophobicContact CD1-CE2 3.72Å; L531-F616 HydrophobicContact CD1-CZ 3.84Å; I584-F616 HydrophobicContact CB-CE1 4.43Å; I584-F616 HydrophobicContact CD1-CE1 4.05Å; I584-F616 HydrophobicContact CG1-CE1 4.04Å; I584-F616 HydrophobicContact CG1-CZ 4.46Å; I584-F616 HydrophobicContact CG2-CE1 4.46Å; I584-F616 HydrophobicContact CG2-CZ 4.09Å; F592-F616 AromaticContact CE1-CE2 3.81Å; F592-F616 HydrophobicContact CE1-CE2 3.81Å; F592-F616 AromaticContact CZ-CE2 3.89Å; F592-F616 HydrophobicContact CZ-CE2 3.89Å; M613-F616 HydrophobicContact CE-CD2 4.26Å; M613-F616 HydrophobicContact SD-CD2 4.07Å; F616-K634 PolarHBondContact N-O 3Å; F616-K634 VanDerWaalsContact N-O 3.13Å; F616-L639 HydrophobicContact CD1-CD2 4.13Å; F616-L639 HydrophobicContact CD2-CD2 4.19Å; F616-L639 HydrophobicContact CE1-CD2 3.86Å; F616-L639 HydrophobicContact CE2-CD2 3.94Å; F616-L639 HydrophobicContact CG-CD2 4.29Å; F616-L639 HydrophobicContact CZ-CD2 3.76Å; F616-I662 HydrophobicContact CZ-CD1 4.31Å; F616-Y670 HydrophobicContact CD1-CE2 4.29Å; F616-Y670 HydrophobicContact CE1-CE2 4.29Å; F616-I695 HydrophobicContact CE2-CG2 4Å; F616-I695 HydrophobicContact CZ-CG2 4Å; F616-N696 PolarHBondContact O-N 3.23Å; F616-P697 WeakPolarHBondContact O-CD 2.97Å
617	T	90.7	Very high	84.9	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	139.7	177.2	62.8	0	0	0	0	112.1	Y619 H633 K634 V694 I695	T617-Y619 WeakPolarHBondContact OG1-CE1 3.32Å; T617-Y619 PolarHBondContact OG1-OH 2.91Å; T617-H633 WeakPolarHBondContact O-CA 3.25Å; T617-K634 PolarHBondContact N-O 3.42Å; T617-K634 VanDerWaalsContact N-O 3.13Å; T617-K634 PolarHBondContact O-N 3.33Å; T617-K634 WeakPolarHBondContact OG1-CB 3.27Å; T617-V694 CarbonylContact C-O 3.03Å; T617-V694 VanDerWaalsContact CA-O 3.23Å; T617-V694 WeakPolarHBondContact CA-O 3.47Å; T617-I695 HydrophobicContact CG2-CB 4.38Å; T617-I695 HydrophobicContact CG2-CG1 3.93Å; T617-I695 HydrophobicContact CG2-CG2 4.47Å
618	H	92.4	Very high	85.9	Confident	45 Å²	45	42.7 Å²	42.7	21%	0.208	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	134.8	169.1	-89.5	-56	0	0	0	110.3	V693 V694 P697	H618-V693 WeakPolarHBondContact O-CA 3.39Å; H618-V694 PolarHBondContact N-O 2.68Å; H618-V694 PolarHBondContact O-N 3.37Å; H618-P697 HydrophobicContact CB-CG 4.39Å; H618-P697 WeakPolarHBondContact CD2-CG 2.99Å
619	Y	94.1	Very high	86.9	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	118.9	178.3	-52	-32.6	0	0	0	109	F580 T617 E631 G632 K634 Q677 I679 V693	F580-Y619 HydrophobicContact CE2-CD1 4.22Å; F580-Y619 HydrophobicContact CE2-CE1 4.11Å; F580-Y619 AromaticContact CZ-CD1 3.83Å; F580-Y619 HydrophobicContact CZ-CD1 3.83Å; F580-Y619 AromaticContact CZ-CD2 3.92Å; F580-Y619 HydrophobicContact CZ-CD2 3.92Å; F580-Y619 HydrophobicContact CZ-CE1 4.11Å; F580-Y619 HydrophobicContact CZ-CE2 4.18Å; F580-Y619 AromaticContact CZ-CG 3.74Å; F580-Y619 HydrophobicContact CZ-CG 3.74Å; T617-Y619 WeakPolarHBondContact OG1-CE1 3.32Å; T617-Y619 PolarHBondContact OG1-OH 2.91Å; Y619-E631 CarbonylContact O-C 3.46Å; Y619-E631 WeakPolarHBondContact O-CA 3.31Å; Y619-G632 PolarHBondContact N-O 3Å; Y619-G632 PolarHBondContact O-N 2.93Å; Y619-K634 HydrophobicContact CE2-CB 3.71Å; Y619-K634 WeakPolarHBondContact OH-CB 3.26Å; Y619-Q677 PolarHBondContact OH-NE2 2.89Å; Y619-Q677 PolarHBondContact OH-OE1 3.02Å; Y619-I679 HydrophobicContact CG-CG1 4.49Å; Y619-V693 HydrophobicContact CD1-CB 4.31Å; Y619-V693 HydrophobicContact CD1-CG1 3.79Å; Y619-V693 HydrophobicContact CD1-CG2 3.94Å; Y619-V693 HydrophobicContact CE1-CG1 3.74Å; Y619-V693 HydrophobicContact CE1-CG2 4.42Å
620	D	94	Very high	87.7	Confident	11 Å²	11	42.7 Å²	42.7	6%	0.059	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	137	-173.6	-69.8	-38.2	0	0	0	111.2	L622 K628 Q692	D620-L622 HydrophobicContact CB-CD2 3.92Å; D620-L622 HydrophobicContact CB-CG 4.29Å; D620-K628 HydrophobicContact CB-CG 4.45Å; D620-K628 VanDerWaalsContact CG-CE 3.4Å; D620-K628 VanDerWaalsContact OD1-CD 3.25Å; D620-K628 WeakPolarHBondContact OD1-CD 3.42Å; D620-K628 WeakPolarHBondContact OD1-CE 3.2Å; D620-K628 IonicContact OD1-NZ 3.17Å; D620-K628 PolarHBondContact OD1-NZ 2.91Å; D620-K628 WeakPolarHBondContact OD2-CE 3.46Å; D620-K628 IonicContact OD2-NZ 2.7Å; D620-K628 PolarHBondContact OD2-NZ 3.04Å; D620-Q692 HydrophobicContact CB-CB 4.35Å; D620-Q692 PolarHBondContact N-O 3.13Å; D620-Q692 PolarHBondContact O-N 3.35Å
621	I	94.4	Very high	88.1	Confident	4 Å²	4	45.1 Å²	45.1	2%	0.021	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	118.7	160.4	-58.1	-63.5	0	0	0	107.6	L578 I629 A630 I679 Y689 L691	L578-I621 HydrophobicContact CD2-CD1 3.88Å; I621-I629 HydrophobicContact CB-CD1 4.4Å; I621-I629 HydrophobicContact CB-CG1 4.05Å; I621-I629 HydrophobicContact CG2-CD1 3.64Å; I621-I629 HydrophobicContact CG2-CG1 3.68Å; I621-I629 WeakPolarHBondContact O-CG1 3.44Å; I621-I629 PolarHBondContact O-N 2.86Å; I621-A630 HydrophobicContact CB-CB 4.14Å; I621-A630 HydrophobicContact CG1-CB 4.31Å; I621-A630 PolarHBondContact N-O 3.04Å; I621-A630 PolarHBondContact O-N 2.75Å; I621-I679 HydrophobicContact CD1-CD1 3.8Å; I621-I679 HydrophobicContact CG1-CD1 3.78Å; I621-I679 HydrophobicContact CG1-CG2 4.1Å; I621-Y689 HydrophobicContact CG2-CD1 3.98Å; I621-Y689 HydrophobicContact CG2-CD2 4.34Å; I621-Y689 HydrophobicContact CG2-CG 3.7Å; I621-L691 HydrophobicContact CD1-CB 4.18Å; I621-L691 HydrophobicContact CD1-CD1 3.72Å
622	L	92.9	Very high	88.4	Confident	16 Å²	16	44.6 Å²	44.6	8%	0.084	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	148.3	-178.9	-50.5	175.7	0	0	0	110.1	D620 T627 K628 Y689 I690 Q692	D620-L622 HydrophobicContact CB-CD2 3.92Å; D620-L622 HydrophobicContact CB-CG 4.29Å; L622-T627 CarbonylContact C-O 3.58Å; L622-T627 WeakPolarHBondContact CA-O 3.42Å; L622-K628 HydrophobicContact CD2-CB 3.94Å; L622-K628 HydrophobicContact CD2-CG 4.23Å; L622-Y689 CarbonylContact O-C 3.44Å; L622-Y689 VanDerWaalsContact O-CA 3.28Å; L622-Y689 WeakPolarHBondContact O-CA 3.46Å; L622-Y689 WeakPolarHBondContact O-CB 3.31Å; L622-I690 HydrophobicContact CB-CB 4.3Å; L622-I690 PolarHBondContact N-O 3.16Å; L622-I690 PolarHBondContact O-N 2.89Å; L622-Q692 HydrophobicContact CD1-CB 4.05Å
623	T	90.1	Very high	88.3	Confident	26 Å²	26	46.4 Å²	46.4	16%	0.16	26%	0.257	C	S	.	.			trans	-69.9	164.3	162.3	67.6	0	0	0	0	110.2	N625 G626 T627 I629	T623-N625 PolarHBondContact O-N 2.86Å; T623-N625 PolarHBondContact OG1-N 3.47Å; T623-G626 PolarHBondContact O-N 2.87Å; T623-T627 WeakPolarHBondContact CB-OG1 3.32Å; T623-T627 WeakPolarHBondContact CG2-OG1 3.32Å; T623-T627 PolarHBondContact N-O 2.99Å; T623-T627 PolarHBondContact OG1-N 3.37Å; T623-T627 PolarHBondContact OG1-OG1 3.04Å; T623-I629 HydrophobicContact CG2-CG2 3.6Å
624	P	84.2	Confident	88.2	Confident	62 Å²	62	46 Å²	46	40%	0.403	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-19.6	170.6	-26.1	35.8	0	0	0	113.9	G626 N688	P624-G626 VanDerWaalsContact C-N 3.3Å; P624-N688 WeakPolarHBondContact CD-O 3.41Å
625	N	85.5	Confident	87.7	Confident	152 Å²	152	40.8 Å²	40.8	81%	0.813	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	1.5	174.9	-63.6	-20.5	0	0	0	113.2	T623	T623-N625 PolarHBondContact O-N 2.86Å; T623-N625 PolarHBondContact OG1-N 3.47Å
626	G	86.8	Confident	86.7	Confident	49 Å²	49	38.6 Å²	38.6	51%	0.505	22%	0.217	S	C	.	.	S	Bend	trans	82.5	7.3	-179.8	0	0	0	0	0	115.2	T623 P624	T623-G626 PolarHBondContact O-N 2.87Å; P624-G626 VanDerWaalsContact C-N 3.3Å
627	T	91.4	Very high	85.4	Confident	77 Å²	77	39.1 Å²	39.1	47%	0.472	22%	0.22	S	C	.	.			trans	-79.7	125.4	177.7	64.3	0	0	0	0	110.4	L622 T623 I629	L622-T627 CarbonylContact C-O 3.58Å; L622-T627 WeakPolarHBondContact CA-O 3.42Å; T623-T627 WeakPolarHBondContact CB-OG1 3.32Å; T623-T627 WeakPolarHBondContact CG2-OG1 3.32Å; T623-T627 PolarHBondContact N-O 2.99Å; T623-T627 PolarHBondContact OG1-N 3.37Å; T623-T627 PolarHBondContact OG1-OG1 3.04Å; T627-I629 PolarHBondContact O-N 2.66Å
628	K	92.3	Very high	84.7	Confident	97 Å²	97	39.7 Å²	39.7	42%	0.422	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	126.7	174.4	-166.7	-176.9	-60.7	-148.1	0	110.8	D620 L622 E631	D620-K628 HydrophobicContact CB-CG 4.45Å; D620-K628 VanDerWaalsContact CG-CE 3.4Å; D620-K628 VanDerWaalsContact OD1-CD 3.25Å; D620-K628 WeakPolarHBondContact OD1-CD 3.42Å; D620-K628 WeakPolarHBondContact OD1-CE 3.2Å; D620-K628 IonicContact OD1-NZ 3.17Å; D620-K628 PolarHBondContact OD1-NZ 2.91Å; D620-K628 WeakPolarHBondContact OD2-CE 3.46Å; D620-K628 IonicContact OD2-NZ 2.7Å; D620-K628 PolarHBondContact OD2-NZ 3.04Å; L622-K628 HydrophobicContact CD2-CB 3.94Å; L622-K628 HydrophobicContact CD2-CG 4.23Å; K628-E631 HydrophobicContact CD-CB 3.91Å
629	I	93.6	Very high	84.5	Confident	69 Å²	69	37.6 Å²	37.6	35%	0.354	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	-25.4	-179.9	57.6	144.3	0	0	0	113.8	I621 T623 T627 V684 Y689	I621-I629 HydrophobicContact CB-CD1 4.4Å; I621-I629 HydrophobicContact CB-CG1 4.05Å; I621-I629 HydrophobicContact CG2-CD1 3.64Å; I621-I629 HydrophobicContact CG2-CG1 3.68Å; I621-I629 WeakPolarHBondContact O-CG1 3.44Å; I621-I629 PolarHBondContact O-N 2.86Å; T623-I629 HydrophobicContact CG2-CG2 3.6Å; T627-I629 PolarHBondContact O-N 2.66Å; I629-V684 HydrophobicContact CD1-CG1 3.66Å; I629-V684 HydrophobicContact CD1-CG2 4.19Å; I629-Y689 HydrophobicContact CD1-CD1 3.5Å; I629-Y689 VanDerWaalsContact CD1-CD1 3.5Å; I629-Y689 HydrophobicContact CD1-CE1 3.2Å; I629-Y689 HydrophobicContact CD1-CE2 4.42Å; I629-Y689 HydrophobicContact CD1-CG 4.25Å; I629-Y689 HydrophobicContact CG1-CD1 4.23Å; I629-Y689 HydrophobicContact CG1-CE1 4.23Å
630	A	92.3	Very high	84.4	Confident	13 Å²	13	40.4 Å²	40.4	11%	0.107	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	146.6	169.8	0	0	0	0	0	107.9	I621 I679 V684	I621-A630 HydrophobicContact CB-CB 4.14Å; I621-A630 HydrophobicContact CG1-CB 4.31Å; I621-A630 PolarHBondContact N-O 3.04Å; I621-A630 PolarHBondContact O-N 2.75Å; A630-I679 HydrophobicContact CB-CG2 3.87Å; A630-V684 HydrophobicContact CB-CG2 3.65Å
631	E	89.8	Confident	84.4	Confident	125 Å²	125	40.2 Å²	40.2	58%	0.584	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-129.1	143.4	178	73.9	-172.5	171.7	0	0	109	Y619 K628	Y619-E631 CarbonylContact O-C 3.46Å; Y619-E631 WeakPolarHBondContact O-CA 3.31Å; K628-E631 HydrophobicContact CD-CB 3.91Å
632	G	85.6	Confident	84.4	Confident	4 Å²	4	41.5 Å²	41.5	4%	0.041	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	168.1	166.1	0	0	0	0	0	107.6	Y619	Y619-G632 PolarHBondContact N-O 3Å; Y619-G632 PolarHBondContact O-N 2.93Å
633	H	80.6	Confident	84.4	Confident	46 Å²	46	46 Å²	46	21%	0.213	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	161.5	173.7	64.6	-81.6	0	0	0	109	N559 T617	N559-H633 PolarHBondContact O-CE1 2.74Å; T617-H633 WeakPolarHBondContact O-CA 3.25Å
634	K	78.3	Confident	84.6	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	114	168.6	-167.5	67.8	165.6	169.8	0	106.7	F616 T617 Y619 F637 I674 D675 C676 Q677	F616-K634 PolarHBondContact N-O 3Å; F616-K634 VanDerWaalsContact N-O 3.13Å; T617-K634 PolarHBondContact N-O 3.42Å; T617-K634 VanDerWaalsContact N-O 3.13Å; T617-K634 PolarHBondContact O-N 3.33Å; T617-K634 WeakPolarHBondContact OG1-CB 3.27Å; Y619-K634 HydrophobicContact CE2-CB 3.71Å; Y619-K634 WeakPolarHBondContact OH-CB 3.26Å; K634-F637 HydrophobicContact CD-CD2 3.87Å; K634-F637 HydrophobicContact CD-CE2 3.85Å; K634-F637 VanDerWaalsContact NZ-CD2 3.34Å; K634-F637 VanDerWaalsContact NZ-CE1 3.35Å; K634-I674 VanDerWaalsContact NZ-CD1 3.3Å; K634-D675 PolarHBondContact NZ-O 3.45Å; K634-C676 HydrophobicContact CD-CB 4.16Å; K634-Q677 VanDerWaalsContact CE-OE1 3.26Å
635	A	63.7	Low	84.7	Confident	14 Å²	14	45.6 Å²	45.6	12%	0.116	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	153.6	161	0	0	0	0	0	108.5	D614 F637	D614-A635 VanDerWaalsContact O-CA 3.25Å; D614-A635 WeakPolarHBondContact O-CA 3.25Å; D614-A635 VanDerWaalsContact O-CB 3.23Å; D614-A635 WeakPolarHBondContact O-CB 3.49Å; A635-F637 PolarHBondContact O-N 3.3Å
636	S	59.4	Low	84.4	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	96.4	168.8	65.2	0	0	0	0	106.2	H611 S612 M613 C638	H611-S636 VanDerWaalsContact CA-O 3.25Å; H611-S636 WeakPolarHBondContact CA-O 3.35Å; H611-S636 WeakPolarHBondContact CB-O 3.43Å; S612-S636 PolarHBondContact N-OG 2.92Å; S612-S636 PolarHBondContact OG-OG 3.36Å; M613-S636 WeakPolarHBondContact CA-OG 3.5Å; M613-S636 VanDerWaalsContact CB-OG 3.29Å; M613-S636 WeakPolarHBondContact CB-OG 3.36Å; M613-S636 PolarHBondContact N-OG 3.14Å; M613-S636 PolarHBondContact O-N 3.36Å; M613-S636 PolarHBondContact O-OG 2.95Å; S636-C638 VanDerWaalsContact C-N 3.28Å
637	F	60.6	Low	84.1	Confident	12 Å²	12	53.4 Å²	53.4	5%	0.053	27%	0.272	C	S	.	.	S	Bend	trans	-54.4	-54.7	172.8	-105.5	-127.9	0	0	0	107.2	H607 H609 H611 K634 A635 Y670 D675 C676	H607-F637 HydrophobicContact CB-CD1 4.44Å; H607-F637 HydrophobicContact CB-CE1 4.13Å; H607-F637 AromaticContact CD2-CE1 3.74Å; H607-F637 AromaticContact CD2-CZ 3.94Å; H607-F637 AromaticContact CE1-CE1 3.42Å; H607-F637 VanDerWaalsContact CE1-CE1 3.42Å; H607-F637 WeakPolarHBondContact CE1-CE1 3.44Å; H607-F637 AromaticContact CE1-CE2 3.56Å; H607-F637 AromaticContact CE1-CZ 2.87Å; H607-F637 WeakPolarHBondContact CE1-CZ 3.04Å; H607-F637 AromaticContact CG-CE1 3.44Å; H607-F637 VanDerWaalsContact CG-CE1 3.44Å; H607-F637 AromaticContact CG-CZ 3.76Å; H607-F637 AromaticContact ND1-CD1 3.96Å; H607-F637 AromaticContact ND1-CE1 3.24Å; H607-F637 WeakPolarHBondContact ND1-CE1 3.37Å; H607-F637 AromaticContact ND1-CE2 3.66Å; H607-F637 AromaticContact ND1-CZ 3.1Å; H607-F637 WeakPolarHBondContact ND1-CZ 3.1Å; H607-F637 AromaticContact NE2-CE1 3.72Å; H607-F637 AromaticContact NE2-CZ 3.42Å; H607-F637 WeakPolarHBondContact NE2-CZ 3.42Å; H609-F637 PolarHBondContact CD2-O 3.47Å; H609-F637 AromaticContact CE1-CD1 3.55Å; H609-F637 VanDerWaalsContact NE2-C 3.31Å; H609-F637 AromaticContact NE2-CD1 3.49Å; H609-F637 WeakPolarHBondContact NE2-CD1 3.32Å; H609-F637 AromaticContact NE2-CG 3.69Å; H609-F637 PolarHBondContact NE2-O 3.4Å; H611-F637 PolarHBondContact CD2-O 3.09Å; K634-F637 HydrophobicContact CD-CD2 3.87Å; K634-F637 HydrophobicContact CD-CE2 3.85Å; K634-F637 VanDerWaalsContact NZ-CD2 3.34Å; K634-F637 VanDerWaalsContact NZ-CE1 3.35Å; A635-F637 PolarHBondContact O-N 3.3Å; F637-Y670 HydrophobicContact CB-CD1 4.3Å; F637-Y670 HydrophobicContact CB-CE1 3.49Å; F637-Y670 VanDerWaalsContact CB-CE1 3.49Å; F637-Y670 HydrophobicContact CG-CE1 4.38Å; F637-D675 WeakPolarHBondContact CZ-O 3.28Å; F637-C676 HydrophobicContact CE2-CB 4.01Å; F637-C676 HydrophobicContact CZ-CB 4.24Å
638	C	77.5	Confident	83.9	Confident	12 Å²	12	52.3 Å²	52.3	8%	0.081	27%	0.265	C	S	.	.			trans	-162.2	113.2	-174.7	158.4	0	0	0	0	108.9	S636 E640 C654 Y670	S636-C638 VanDerWaalsContact C-N 3.28Å; C638-E640 PolarHBondContact O-N 2.83Å; C638-E640 WeakPolarHBondContact SG-CG 3.23Å; C638-E640 PolarHBondContact SG-OE2 2.92Å; C638-E640 VanDerWaalsContact SG-OE2 3.32Å; C638-C654 WeakPolarHBondContact CA-SG 3.4Å; C638-C654 HydrophobicContact CB-CB 3.69Å; C638-C654 WeakPolarHBondContact CB-SG 3.42Å; C638-C654 WeakPolarHBondContact SG-CB 3.37Å; C638-C654 CovalentContact SG-SG 1.99Å; C638-C654 PolarHBondContact SG-SG 2.87Å; C638-Y670 PolarHBondContact N-OH 3.31Å; C638-Y670 PolarHBondContact O-OH 3.19Å
639	L	88.1	Confident	83.7	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.277	C	S	.	.			trans	-83.5	104.1	171.4	-56.9	170.5	0	0	0	108.6	F592 P594 M613 F616 Q660 G661 I662	F592-L639 HydrophobicContact CD1-CD1 4.12Å; F592-L639 HydrophobicContact CE1-CD1 3.79Å; F592-L639 HydrophobicContact CE1-CD2 4.45Å; P594-L639 HydrophobicContact CB-CD1 4.25Å; P594-L639 HydrophobicContact CG-CD1 4.43Å; M613-L639 HydrophobicContact SD-CD1 4.11Å; F616-L639 HydrophobicContact CD1-CD2 4.13Å; F616-L639 HydrophobicContact CD2-CD2 4.19Å; F616-L639 HydrophobicContact CE1-CD2 3.86Å; F616-L639 HydrophobicContact CE2-CD2 3.94Å; F616-L639 HydrophobicContact CG-CD2 4.29Å; F616-L639 HydrophobicContact CZ-CD2 3.76Å; L639-Q660 HydrophobicContact CB-CB 4.18Å; L639-Q660 VanDerWaalsContact N-OE1 3.17Å; L639-Q660 CarbonylContact O-C 3.58Å; L639-Q660 VanDerWaalsContact O-CA 3.27Å; L639-Q660 WeakPolarHBondContact O-CA 3.49Å; L639-Q660 WeakPolarHBondContact O-CB 3.33Å; L639-G661 CarbonylContact C-O 3.56Å; L639-G661 VanDerWaalsContact C-O 3.28Å; L639-G661 PolarHBondContact O-N 2.99Å; L639-G661 VanDerWaalsContact O-O 3.12Å; L639-I662 HydrophobicContact CD2-CD1 4.39Å
640	E	90.9	Very high	83.6	Confident	60 Å²	60	55 Å²	55	28%	0.28	29%	0.287	S	S	.	.			trans	-137.7	164.7	179.1	68.4	179.3	-170.3	0	0	113.4	C638 T642 Y652 C654 G661 D668	C638-E640 PolarHBondContact O-N 2.83Å; C638-E640 WeakPolarHBondContact SG-CG 3.23Å; C638-E640 PolarHBondContact SG-OE2 2.92Å; C638-E640 VanDerWaalsContact SG-OE2 3.32Å; E640-T642 PolarHBondContact O-N 2.79Å; E640-Y652 WeakPolarHBondContact CB-O 3.48Å; E640-C654 PolarHBondContact OE2-N 2.84Å; E640-G661 WeakPolarHBondContact CA-O 3.36Å; E640-G661 PolarHBondContact N-O 3.25Å; E640-D668 WeakPolarHBondContact O-CB 3.41Å
641	D	94.8	Very high	83.6	Confident	6 Å²	6	62.8 Å²	62.8	3%	0.032	31%	0.313	C	S	.	.			trans	-86.2	83.9	174.5	-61.3	-41.5	0	0	0	109.9	E643 K650 R651 Y652 I662 T663 C666	D641-E643 PolarHBondContact O-N 2.84Å; D641-K650 HydrophobicContact CB-CB 3.86Å; D641-K650 HydrophobicContact CB-CG 3.91Å; D641-K650 VanDerWaalsContact O-CD 3.24Å; D641-K650 WeakPolarHBondContact O-CD 3.36Å; D641-K650 WeakPolarHBondContact O-CE 3.46Å; D641-R651 PolarHBondContact OD2-N 2.95Å; D641-Y652 PolarHBondContact N-O 3.3Å; D641-Y652 PolarHBondContact OD2-N 3.03Å; D641-I662 WeakPolarHBondContact OD1-CA 3.13Å; D641-T663 PolarHBondContact OD1-N 3.02Å; D641-T663 PolarHBondContact OD2-OG1 2.7Å; D641-C666 HydrophobicContact CB-CB 4.09Å; D641-C666 WeakPolarHBondContact OD1-CB 3.13Å
642	T	93.3	Very high	83.7	Confident	32 Å²	32	57.4 Å²	57.4	20%	0.196	29%	0.288	C	S	.	.	S	Bend	trans	-60.4	-47.6	-179.9	-53	0	0	0	0	111	E640 K650 W667 L669	E640-T642 PolarHBondContact O-N 2.79Å; T642-K650 WeakPolarHBondContact O-CE 3.03Å; T642-K650 PolarHBondContact O-NZ 3.13Å; T642-W667 WeakPolarHBondContact CB-O 3.47Å; T642-W667 PolarHBondContact N-O 3.02Å; T642-L669 HydrophobicContact CG2-CB 3.96Å; T642-L669 PolarHBondContact OG1-N 3.18Å
643	E	94.6	Very high	83.8	Confident	109 Å²	109	63 Å²	63	51%	0.509	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	162.8	172.7	-71.3	179.4	176.8	0	0	109.5	D641 C666 W667	D641-E643 PolarHBondContact O-N 2.84Å; E643-C666 WeakPolarHBondContact O-CA 3.23Å; E643-W667 HydrophobicContact CB-CD2 4.49Å; E643-W667 HydrophobicContact CB-CH2 4.2Å; E643-W667 HydrophobicContact CB-CZ2 3.34Å; E643-W667 HydrophobicContact CG-CZ2 4.45Å; E643-W667 PolarHBondContact N-O 2.88Å; E643-W667 PolarHBondContact O-N 2.95Å; E643-W667 WeakPolarHBondContact OE2-CZ2 3.37Å
644	C	93.1	Very high	84	Confident	24 Å²	24	61.4 Å²	61.4	16%	0.162	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	162.7	-178.3	-52.8	0	0	0	0	111.1	V648 C666	C644-V648 HydrophobicContact CB-CB 3.89Å; C644-V648 HydrophobicContact CB-CG1 3.98Å; C644-V648 WeakPolarHBondContact CB-O 3.49Å; C644-C666 HydrophobicContact CB-CB 3.95Å; C644-C666 WeakPolarHBondContact CB-SG 3.21Å; C644-C666 WeakPolarHBondContact SG-CB 3Å; C644-C666 CovalentContact SG-SG 2.04Å; C644-C666 PolarHBondContact SG-SG 2.9Å
645	Q	87.8	Confident	84.2	Confident	57 Å²	57	63.6 Å²	63.6	27%	0.266	33%	0.325	S	S	.	.			trans	-57.9	158.7	168.2	-69.2	173.1	23.1	0	0	111.2	D647 V648 G665 W667	Q645-D647 PolarHBondContact O-N 2.84Å; Q645-V648 HydrophobicContact CB-CG2 4.4Å; Q645-V648 PolarHBondContact O-N 3.47Å; Q645-V648 VanDerWaalsContact O-N 3.14Å; Q645-G665 WeakPolarHBondContact CG-O 3.39Å; Q645-G665 PolarHBondContact N-O 2.93Å; Q645-W667 HydrophobicContact CG-CZ3 4.19Å
646	E	78.3	Confident	85.2	Confident	185 Å²	185	71 Å²	71	86%	0.864	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	140.8	174.5	-62.4	-178.1	170.4	0	0	109.9	V648	E646-V648 PolarHBondContact O-N 2.88Å
647	D	81.2	Confident	86.3	Confident	179 Å²	179	74.3 Å²	74.3	96%	0.957	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	3.5	-176.1	-52	-41.1	0	0	0	117.4	Q645	Q645-D647 PolarHBondContact O-N 2.84Å
648	V	86	Confident	87.4	Confident	54 Å²	54	74.7 Å²	74.7	33%	0.327	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-103.2	125.3	173.8	-177.1	0	0	0	0	111.1	C644 Q645 E646 T663	C644-V648 HydrophobicContact CB-CB 3.89Å; C644-V648 HydrophobicContact CB-CG1 3.98Å; C644-V648 WeakPolarHBondContact CB-O 3.49Å; Q645-V648 HydrophobicContact CB-CG2 4.4Å; Q645-V648 PolarHBondContact O-N 3.47Å; Q645-V648 VanDerWaalsContact O-N 3.14Å; E646-V648 PolarHBondContact O-N 2.88Å; V648-T663 HydrophobicContact CG1-CG2 4.14Å
649	S	88.9	Confident	87.9	Confident	97 Å²	97	77.6 Å²	77.6	68%	0.678	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-88.1	134	177.1	63.1	0	0	0	0	112.1
650	K	91.9	Very high	88	Confident	127 Å²	127	77.8 Å²	77.8	55%	0.552	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-57.8	139.2	168.9	-60.3	176.3	179.5	-172.4	0	111.3	D641 T642	D641-K650 HydrophobicContact CB-CB 3.86Å; D641-K650 HydrophobicContact CB-CG 3.91Å; D641-K650 VanDerWaalsContact O-CD 3.24Å; D641-K650 WeakPolarHBondContact O-CD 3.36Å; D641-K650 WeakPolarHBondContact O-CE 3.46Å; T642-K650 WeakPolarHBondContact O-CE 3.03Å; T642-K650 PolarHBondContact O-NZ 3.13Å
651	R	91	Very high	88.1	Confident	175 Å²	175	74.9 Å²	74.9	66%	0.66	38%	0.384	S	S	*	.			trans	-125.7	-38	-179.5	170.8	177.2	-98.6	160.6	-0.4	112.8	D591 D641	D591-R651 IonicContact OD2-NH1 2.8Å; D591-R651 PolarHBondContact OD2-NH1 2.82Å; D641-R651 PolarHBondContact OD2-N 2.95Å
652	Y	91.6	Very high	88.1	Confident	13 Å²	13	74.6 Å²	74.6	5%	0.051	38%	0.382	C	S	.	.			trans	-101.2	134.9	-173.9	-60.2	-71.8	0	0	0	111.2	D591 E640 D641 E659 G661 T663	D591-Y652 HydrophobicContact CB-CE2 3.86Å; D591-Y652 WeakPolarHBondContact CB-OH 3.48Å; D591-Y652 PolarHBondContact OD2-OH 3.11Å; D591-Y652 VanDerWaalsContact OD2-OH 3.08Å; E640-Y652 WeakPolarHBondContact CB-O 3.48Å; D641-Y652 PolarHBondContact N-O 3.3Å; D641-Y652 PolarHBondContact OD2-N 3.03Å; Y652-E659 HydrophobicContact CD1-CB 4.04Å; Y652-E659 HydrophobicContact CE1-CB 4.31Å; Y652-G661 WeakPolarHBondContact CB-O 3.25Å; Y652-G661 VanDerWaalsContact CD2-C 3.42Å; Y652-G661 WeakPolarHBondContact CD2-O 3.47Å; Y652-T663 WeakPolarHBondContact CD2-OG1 3.38Å; Y652-T663 WeakPolarHBondContact CE2-OG1 3.42Å
653	E	88.3	Confident	88.2	Confident	121 Å²	121	73.7 Å²	73.7	57%	0.565	38%	0.377	S	S	*	.			trans	-151.1	132.3	-178.7	-174.4	179.5	-173.8	0	0	108.3	A655 G658 E659	E653-A655 HydrophobicContact CG-CB 4.04Å; E653-G658 CarbonylContact O-C 3.56Å; E653-G658 VanDerWaalsContact O-CA 3.26Å; E653-G658 WeakPolarHBondContact O-CA 3.48Å; E653-E659 PolarHBondContact N-O 2.91Å
654	C	84.6	Confident	88.1	Confident	12 Å²	12	70.5 Å²	70.5	8%	0.081	37%	0.365	C	S	.	.			trans	-84.8	-18.5	-175.9	-56.5	0	0	0	0	113.9	C638 E640 F657	C638-C654 WeakPolarHBondContact CA-SG 3.4Å; C638-C654 HydrophobicContact CB-CB 3.69Å; C638-C654 WeakPolarHBondContact CB-SG 3.42Å; C638-C654 WeakPolarHBondContact SG-CB 3.37Å; C638-C654 CovalentContact SG-SG 1.99Å; C638-C654 PolarHBondContact SG-SG 2.87Å; E640-C654 PolarHBondContact OE2-N 2.84Å; C654-F657 PolarHBondContact O-N 3.24Å
655	A	83	Confident	88	Confident	47 Å²	47	69.5 Å²	69.5	39%	0.388	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-55	145	177.8	0	0	0	0	0	110.8	E653 F657 G658	E653-A655 HydrophobicContact CG-CB 4.04Å; A655-F657 PolarHBondContact O-N 2.74Å; A655-G658 PolarHBondContact O-N 2.71Å; A655-G658 VanDerWaalsContact O-N 3.1Å
656	N	84.5	Confident	88.4	Confident	168 Å²	168	66.8 Å²	66.8	90%	0.898	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	56.6	32.1	177.4	-53.3	-50.6	0	0	0	114.8	G658	N656-G658 VanDerWaalsContact C-N 3.25Å; N656-G658 PolarHBondContact O-N 2.91Å
657	F	83.4	Confident	89.2	Confident	71 Å²	71	59.5 Å²	59.5	31%	0.311	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	58.5	40.5	-177.3	-162.3	-133.3	0	0	0	111.9	R598 W601 Y610 C654 A655	R598-F657 HydrophobicContact CB-CE1 4.17Å; R598-F657 HydrophobicContact CB-CE2 4.43Å; R598-F657 HydrophobicContact CB-CZ 3.73Å; R598-F657 HydrophobicContact CG-CZ 4.3Å; R598-F657 PolarHBondContact NH1-O 3Å; W601-F657 HydrophobicContact CE3-CD2 4.11Å; W601-F657 AromaticContact CE3-CE2 3.68Å; W601-F657 HydrophobicContact CE3-CE2 3.68Å; W601-F657 HydrophobicContact CZ3-CD2 4.32Å; W601-F657 HydrophobicContact CZ3-CE2 4.22Å; Y610-F657 HydrophobicContact CD1-CD2 4.46Å; Y610-F657 AromaticContact CD1-CE2 3.98Å; Y610-F657 HydrophobicContact CD1-CE2 3.98Å; Y610-F657 AromaticContact CD2-CD2 3.25Å; Y610-F657 HydrophobicContact CD2-CD2 3.25Å; Y610-F657 AromaticContact CD2-CE2 3.62Å; Y610-F657 HydrophobicContact CD2-CE2 3.62Å; Y610-F657 HydrophobicContact CD2-CG 4.28Å; Y610-F657 HydrophobicContact CE1-CE2 4.02Å; Y610-F657 HydrophobicContact CE2-CB 4.45Å; Y610-F657 AromaticContact CE2-CD2 3.36Å; Y610-F657 HydrophobicContact CE2-CD2 3.36Å; Y610-F657 AromaticContact CE2-CE2 3.66Å; Y610-F657 HydrophobicContact CE2-CE2 3.66Å; Y610-F657 HydrophobicContact CE2-CG 4.09Å; Y610-F657 AromaticContact CG-CD2 3.85Å; Y610-F657 HydrophobicContact CG-CD2 3.85Å; Y610-F657 AromaticContact CG-CE2 3.79Å; Y610-F657 HydrophobicContact CG-CE2 3.79Å; Y610-F657 AromaticContact CZ-CE2 3.87Å; C654-F657 PolarHBondContact O-N 3.24Å; A655-F657 PolarHBondContact O-N 2.74Å
658	G	83.6	Confident	89.8	Confident	20 Å²	20	51.1 Å²	51.1	21%	0.206	27%	0.265	C	S	.	.			trans	-65.8	170.7	176	0	0	0	0	0	113.1	W601 E653 A655 N656	W601-G658 WeakPolarHBondContact CZ3-O 3.24Å; E653-G658 CarbonylContact O-C 3.56Å; E653-G658 VanDerWaalsContact O-CA 3.26Å; E653-G658 WeakPolarHBondContact O-CA 3.48Å; A655-G658 PolarHBondContact O-N 2.71Å; A655-G658 VanDerWaalsContact O-N 3.1Å; N656-G658 VanDerWaalsContact C-N 3.25Å; N656-G658 PolarHBondContact O-N 2.91Å
659	E	87.8	Confident	90.2	Very high	73 Å²	73	50.9 Å²	50.9	34%	0.341	26%	0.262	S	S	.	.			trans	-68.3	137.5	172.2	-74.6	-67.9	136.3	0	0	109.7	R593 R598 Y652 E653	R593-E659 IonicContact CZ-OE2 3.14Å; R593-E659 IonicContact NH2-OE2 3.44Å; R593-E659 PolarHBondContact NH2-OE2 2.88Å; R598-E659 IonicContact CZ-OE1 3.29Å; R598-E659 IonicContact NE-OE1 3.56Å; R598-E659 PolarHBondContact NE-OE1 2.77Å; R598-E659 IonicContact NH2-OE1 3.83Å; R598-E659 PolarHBondContact NH2-OE1 3.2Å; Y652-E659 HydrophobicContact CD1-CB 4.04Å; Y652-E659 HydrophobicContact CE1-CB 4.31Å; E653-E659 PolarHBondContact N-O 2.91Å
660	Q	89.9	Confident	90.3	Very high	3 Å²	3	46.7 Å²	46.7	1%	0.014	23%	0.231	C	C	.	.			trans	-105.6	143.1	178.7	-69.1	-163.1	23	0	0	111.2	P594 W601 Y610 S612 L639	P594-Q660 VanDerWaalsContact CD-O 3.31Å; P594-Q660 WeakPolarHBondContact CD-O 3.29Å; P594-Q660 HydrophobicContact CG-CB 4.41Å; W601-Q660 HydrophobicContact CH2-CB 3.81Å; W601-Q660 HydrophobicContact CH2-CG 3.73Å; W601-Q660 HydrophobicContact CZ2-CB 4.14Å; W601-Q660 HydrophobicContact CZ2-CG 4.39Å; W601-Q660 HydrophobicContact CZ3-CB 4.44Å; W601-Q660 HydrophobicContact CZ3-CG 3.86Å; Y610-Q660 PolarHBondContact O-NE2 2.88Å; S612-Q660 PolarHBondContact OG-OE1 2.76Å; L639-Q660 HydrophobicContact CB-CB 4.18Å; L639-Q660 VanDerWaalsContact N-OE1 3.17Å; L639-Q660 CarbonylContact O-C 3.58Å; L639-Q660 VanDerWaalsContact O-CA 3.27Å; L639-Q660 WeakPolarHBondContact O-CA 3.49Å; L639-Q660 WeakPolarHBondContact O-CB 3.33Å
661	G	92.3	Very high	90.3	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.229	C	C	.	.			trans	164.6	175.8	-179.7	0	0	0	0	0	111.7	F592 L639 E640 Y652	F592-G661 CarbonylContact O-C 3.52Å; F592-G661 WeakPolarHBondContact O-CA 3.36Å; L639-G661 CarbonylContact C-O 3.56Å; L639-G661 VanDerWaalsContact C-O 3.28Å; L639-G661 PolarHBondContact O-N 2.99Å; L639-G661 VanDerWaalsContact O-O 3.12Å; E640-G661 WeakPolarHBondContact CA-O 3.36Å; E640-G661 PolarHBondContact N-O 3.25Å; Y652-G661 WeakPolarHBondContact CB-O 3.25Å; Y652-G661 VanDerWaalsContact CD2-C 3.42Å; Y652-G661 WeakPolarHBondContact CD2-O 3.47Å
662	I	95	Very high	90.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-125.6	115.2	173	-50.9	176	0	0	0	107.6	L531 I584 N586 D591 F592 F616 L639 D641 C666 D668	L531-I662 HydrophobicContact CD2-CD1 4.33Å; I584-I662 HydrophobicContact CG2-CD1 4.39Å; N586-I662 HydrophobicContact CB-CB 4.19Å; N586-I662 HydrophobicContact CB-CG2 3.7Å; N586-I662 PolarHBondContact ND2-O 2.91Å; D591-I662 WeakPolarHBondContact CA-O 3.36Å; F592-I662 HydrophobicContact CB-CB 4.28Å; F592-I662 PolarHBondContact N-O 3.13Å; F592-I662 PolarHBondContact O-N 2.99Å; F616-I662 HydrophobicContact CZ-CD1 4.31Å; L639-I662 HydrophobicContact CD2-CD1 4.39Å; D641-I662 WeakPolarHBondContact OD1-CA 3.13Å; I662-C666 HydrophobicContact CG2-CB 4.48Å; I662-D668 HydrophobicContact CD1-CB 3.69Å; I662-D668 HydrophobicContact CG1-CB 4.1Å
663	T	95	Very high	90.3	Very high	12 Å²	12	44.4 Å²	44.4	7%	0.074	23%	0.227	C	C	.	.			trans	-68	147.3	179.1	-80.5	0	0	0	0	111.3	D591 D641 V648 Y652 G665 C666	D591-T663 VanDerWaalsContact OD1-CA 3.31Å; D591-T663 WeakPolarHBondContact OD1-CA 3.21Å; D641-T663 PolarHBondContact OD1-N 3.02Å; D641-T663 PolarHBondContact OD2-OG1 2.7Å; V648-T663 HydrophobicContact CG1-CG2 4.14Å; Y652-T663 WeakPolarHBondContact CD2-OG1 3.38Å; Y652-T663 WeakPolarHBondContact CE2-OG1 3.42Å; T663-G665 PolarHBondContact O-N 3.37Å; T663-C666 WeakPolarHBondContact O-CB 2.92Å; T663-C666 PolarHBondContact O-N 3.17Å
664	V	93.6	Very high	90.3	Very high	43 Å²	43	40.7 Å²	40.7	26%	0.261	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	126.2	174.6	179.8	0	0	0	0	110.4	G588 A590 D591 C666	G588-V664 VanDerWaalsContact O-CG1 3.27Å; G588-V664 WeakPolarHBondContact O-CG1 3.43Å; A590-V664 WeakPolarHBondContact O-CG2 3.25Å; D591-V664 PolarHBondContact OD1-N 3.3Å; D591-V664 VanDerWaalsContact OD1-N 3.11Å; V664-C666 VanDerWaalsContact C-N 3.31Å
665	G	91.3	Very high	90.4	Very high	2 Å²	2	41.7 Å²	41.7	2%	0.021	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	1.7	-176.7	0	0	0	0	0	114.4	N586 Q645 T663	N586-G665 PolarHBondContact O-N 2.96Å; Q645-G665 WeakPolarHBondContact CG-O 3.39Å; Q645-G665 PolarHBondContact N-O 2.93Å; T663-G665 PolarHBondContact O-N 3.37Å
666	C	95.4	Very high	90.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	169.4	171.8	-56.1	0	0	0	0	111.8	N586 D641 E643 C644 I662 T663 V664	N586-C666 PolarHBondContact N-O 3.47Å; D641-C666 HydrophobicContact CB-CB 4.09Å; D641-C666 WeakPolarHBondContact OD1-CB 3.13Å; E643-C666 WeakPolarHBondContact O-CA 3.23Å; C644-C666 HydrophobicContact CB-CB 3.95Å; C644-C666 WeakPolarHBondContact CB-SG 3.21Å; C644-C666 WeakPolarHBondContact SG-CB 3Å; C644-C666 CovalentContact SG-SG 2.04Å; C644-C666 PolarHBondContact SG-SG 2.9Å; I662-C666 HydrophobicContact CG2-CB 4.48Å; T663-C666 WeakPolarHBondContact O-CB 2.92Å; T663-C666 PolarHBondContact O-N 3.17Å; V664-C666 VanDerWaalsContact C-N 3.31Å
667	W	95.4	Very high	91	Very high	33 Å²	33	31.6 Å²	31.6	13%	0.125	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	152.1	172.6	57.7	79.4	0	0	0	112.4	Q583 I584 H585 T642 E643 Q645	Q583-W667 HydrophobicContact CG-CB 3.94Å; Q583-W667 VanDerWaalsContact CG-CD1 3.48Å; Q583-W667 HydrophobicContact CG-CG 3.72Å; Q583-W667 VanDerWaalsContact NE2-CD1 3.27Å; I584-W667 CarbonylContact O-C 3.56Å; I584-W667 WeakPolarHBondContact O-CA 3.47Å; I584-W667 VanDerWaalsContact O-CB 3.23Å; I584-W667 WeakPolarHBondContact O-CB 3.2Å; H585-W667 HydrophobicContact CB-CB 4.39Å; H585-W667 AromaticContact CE1-CD2 3.57Å; H585-W667 AromaticContact CE1-CE3 3.31Å; H585-W667 AromaticContact CE1-CG 3.89Å; H585-W667 AromaticContact ND1-CD2 3.97Å; H585-W667 AromaticContact ND1-CE3 3.45Å; T642-W667 WeakPolarHBondContact CB-O 3.47Å; T642-W667 PolarHBondContact N-O 3.02Å; E643-W667 HydrophobicContact CB-CD2 4.49Å; E643-W667 HydrophobicContact CB-CH2 4.2Å; E643-W667 HydrophobicContact CB-CZ2 3.34Å; E643-W667 HydrophobicContact CG-CZ2 4.45Å; E643-W667 PolarHBondContact N-O 2.88Å; E643-W667 PolarHBondContact O-N 2.95Å; E643-W667 WeakPolarHBondContact OE2-CZ2 3.37Å; Q645-W667 HydrophobicContact CG-CZ3 4.19Å
668	D	94.3	Very high	91.5	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.011	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	125.8	172	-173.2	10.4	0	0	0	109.3	Q583 I584 E640 I662 Y670	Q583-D668 WeakPolarHBondContact CA-O 3.46Å; I584-D668 PolarHBondContact N-O 2.84Å; I584-D668 PolarHBondContact O-N 2.02Å; E640-D668 WeakPolarHBondContact O-CB 3.41Å; I662-D668 HydrophobicContact CD1-CB 3.69Å; I662-D668 HydrophobicContact CG1-CB 4.1Å; D668-Y670 WeakPolarHBondContact OD2-CE2 3.36Å; D668-Y670 PolarHBondContact OD2-OH 3.09Å
669	L	93.1	Very high	92.1	Very high	50 Å²	50	27.3 Å²	27.3	26%	0.262	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	110.3	-176.3	173.4	67.1	0	0	0	111.3	L537 Q583 T642 R671	L537-L669 HydrophobicContact CD2-CD1 3.7Å; Q583-L669 HydrophobicContact CB-CD1 3.92Å; Q583-L669 HydrophobicContact CG-CD1 4.47Å; T642-L669 HydrophobicContact CG2-CB 3.96Å; T642-L669 PolarHBondContact OG1-N 3.18Å; L669-R671 HydrophobicContact CD2-CG 4.05Å; L669-R671 HydrophobicContact CG-CG 4.04Å
670	Y	91	Very high	92.4	Very high	8 Å²	8	24 Å²	24	3%	0.031	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	105.8	165.3	-62.7	-77.4	0	0	0	110	S581 S582 I584 F616 F637 C638 D668 I674	S581-Y670 CarbonylContact C-O 3.58Å; S581-Y670 VanDerWaalsContact CA-O 3.24Å; S581-Y670 WeakPolarHBondContact CA-O 3.49Å; S582-Y670 PolarHBondContact N-O 2.93Å; S582-Y670 PolarHBondContact O-N 2.84Å; S582-Y670 WeakPolarHBondContact OG-CB 3.04Å; I584-Y670 HydrophobicContact CD1-CD2 3.84Å; I584-Y670 HydrophobicContact CD1-CE2 4.14Å; F616-Y670 HydrophobicContact CD1-CE2 4.29Å; F616-Y670 HydrophobicContact CE1-CE2 4.29Å; F637-Y670 HydrophobicContact CB-CD1 4.3Å; F637-Y670 HydrophobicContact CB-CE1 3.49Å; F637-Y670 VanDerWaalsContact CB-CE1 3.49Å; F637-Y670 HydrophobicContact CG-CE1 4.38Å; C638-Y670 PolarHBondContact N-OH 3.31Å; C638-Y670 PolarHBondContact O-OH 3.19Å; D668-Y670 WeakPolarHBondContact OD2-CE2 3.36Å; D668-Y670 PolarHBondContact OD2-OH 3.09Å; Y670-I674 HydrophobicContact CD1-CD1 3.74Å; Y670-I674 HydrophobicContact CG-CD1 4.31Å
671	R	92.9	Very high	92.7	Very high	134 Å²	134	24 Å²	24	51%	0.506	12%	0.115	S	C	.	.			trans	-74.1	145.9	-178.8	-57	-166.8	-43.9	-143.6	2.6	112.2	L669 D673 I674 Q677	L669-R671 HydrophobicContact CD2-CG 4.05Å; L669-R671 HydrophobicContact CG-CG 4.04Å; R671-D673 WeakPolarHBondContact CB-OD1 3.41Å; R671-D673 IonicContact CZ-OD1 3.49Å; R671-D673 IonicContact CZ-OD2 3.47Å; R671-D673 IonicContact NE-OD1 3.11Å; R671-D673 PolarHBondContact NE-OD1 3.49Å; R671-D673 IonicContact NE-OD2 2.9Å; R671-D673 IonicContact NH2-OD1 2.73Å; R671-D673 IonicContact NH2-OD2 2.95Å; R671-D673 PolarHBondContact NH2-OD2 3.11Å; R671-D673 PolarHBondContact O-N 2.85Å; R671-I674 HydrophobicContact CB-CG2 4.45Å; R671-I674 VanDerWaalsContact O-CG1 3.25Å; R671-I674 WeakPolarHBondContact O-CG1 3.46Å; R671-I674 PolarHBondContact O-N 3.26Å; R671-Q677 WeakPolarHBondContact O-CG 3.2Å
672	H	92.8	Very high	92.8	Very high	60 Å²	60	26.3 Å²	26.3	28%	0.278	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-20.2	-179.7	61.7	74.5	0	0	0	115.7	Y543 R579 S581	Y543-H672 HydrophobicContact CE1-CB 3.97Å; Y543-H672 AromaticContact CE1-CG 3.71Å; Y543-H672 AromaticContact CE1-ND1 3.35Å; Y543-H672 WeakPolarHBondContact CE1-ND1 3.38Å; Y543-H672 AromaticContact CZ-ND1 3.69Å; Y543-H672 PolarHBondContact OH-ND1 2.78Å; Y543-H672 VanDerWaalsContact OH-ND1 3.13Å; R579-H672 HydrophobicContact CB-CB 4.41Å; R579-H672 WeakPolarHBondContact CD-O 3.38Å; R579-H672 PolarHBondContact NH1-O 2.82Å; S581-H672 PolarHBondContact OG-CD2 2.91Å; S581-H672 VanDerWaalsContact OG-CD2 3.27Å; S581-H672 PolarHBondContact OG-N 3.41Å
673	D	90.3	Very high	92.8	Very high	74 Å²	74	31 Å²	31	40%	0.396	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-15.7	-176.3	64.1	-39.1	0	0	0	114	R671	R671-D673 WeakPolarHBondContact CB-OD1 3.41Å; R671-D673 IonicContact CZ-OD1 3.49Å; R671-D673 IonicContact CZ-OD2 3.47Å; R671-D673 IonicContact NE-OD1 3.11Å; R671-D673 PolarHBondContact NE-OD1 3.49Å; R671-D673 IonicContact NE-OD2 2.9Å; R671-D673 IonicContact NH2-OD1 2.73Å; R671-D673 IonicContact NH2-OD2 2.95Å; R671-D673 PolarHBondContact NH2-OD2 3.11Å; R671-D673 PolarHBondContact O-N 2.85Å
674	I	87.6	Confident	92.8	Very high	43 Å²	43	31.3 Å²	31.3	22%	0.221	16%	0.156	C	C	.	.	S	Bend	trans	-76.4	161.3	-179.4	76.6	-169.2	0	0	0	111.7	R579 K634 Y670 R671 Q677	R579-I674 PolarHBondContact NH1-O 2.75Å; K634-I674 VanDerWaalsContact NZ-CD1 3.3Å; Y670-I674 HydrophobicContact CD1-CD1 3.74Å; Y670-I674 HydrophobicContact CG-CD1 4.31Å; R671-I674 HydrophobicContact CB-CG2 4.45Å; R671-I674 VanDerWaalsContact O-CG1 3.25Å; R671-I674 WeakPolarHBondContact O-CG1 3.46Å; R671-I674 PolarHBondContact O-N 3.26Å; I674-Q677 HydrophobicContact CD1-CB 4.27Å; I674-Q677 HydrophobicContact CG1-CB 3.59Å; I674-Q677 HydrophobicContact CG1-CG 4.33Å
675	D	86.5	Confident	92.8	Very high	33 Å²	33	36.9 Å²	36.9	18%	0.176	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	150.9	178.2	-79.1	-7.6	0	0	0	112.1	R547 K634 F637 Q677 W678	R547-D675 IonicContact CZ-OD1 3.06Å; R547-D675 VanDerWaalsContact CZ-OD1 3.31Å; R547-D675 IonicContact NH1-OD1 3.69Å; R547-D675 PolarHBondContact NH1-OD1 3.18Å; R547-D675 IonicContact NH2-OD1 3.79Å; R547-D675 PolarHBondContact NH2-OD1 3.26Å; R547-D675 IonicContact NH2-OD2 2.98Å; R547-D675 PolarHBondContact NH2-OD2 2.98Å; K634-D675 PolarHBondContact NZ-O 3.45Å; F637-D675 WeakPolarHBondContact CZ-O 3.28Å; D675-Q677 PolarHBondContact O-N 3.29Å; D675-W678 VanDerWaalsContact CA-CZ3 3.47Å; D675-W678 HydrophobicContact CB-CH2 4.06Å; D675-W678 HydrophobicContact CB-CZ3 4.23Å
676	C	86.5	Confident	93	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.014	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	5.5	-173.7	-57	0	0	0	0	116.2	C560 K634 F637 W678	C560-C676 HydrophobicContact CB-CB 3.66Å; C560-C676 WeakPolarHBondContact CB-SG 3.37Å; C560-C676 WeakPolarHBondContact SG-CB 3.4Å; C560-C676 CovalentContact SG-SG 2.02Å; C560-C676 PolarHBondContact SG-SG 2.73Å; K634-C676 HydrophobicContact CD-CB 4.16Å; F637-C676 HydrophobicContact CE2-CB 4.01Å; F637-C676 HydrophobicContact CZ-CB 4.24Å; C676-W678 PolarHBondContact O-N 2.91Å; C676-W678 VanDerWaalsContact O-N 3.13Å
677	Q	92.9	Very high	92.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.213	C	C	.	.			trans	-88.8	59.5	174.8	-167.8	63.8	32.7	0	0	111	F580 S582 Y619 K634 R671 I674 D675	F580-Q677 WeakPolarHBondContact O-CG 3.18Å; F580-Q677 PolarHBondContact O-NE2 2.86Å; S582-Q677 PolarHBondContact OG-NE2 2.75Å; Y619-Q677 PolarHBondContact OH-NE2 2.89Å; Y619-Q677 PolarHBondContact OH-OE1 3.02Å; K634-Q677 VanDerWaalsContact CE-OE1 3.26Å; R671-Q677 WeakPolarHBondContact O-CG 3.2Å; I674-Q677 HydrophobicContact CD1-CB 4.27Å; I674-Q677 HydrophobicContact CG1-CB 3.59Å; I674-Q677 HydrophobicContact CG1-CG 4.33Å; D675-Q677 PolarHBondContact O-N 3.29Å
678	W	93.7	Very high	92.5	Very high	1 Å²	1	43 Å²	43	0%	0.004	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	172.1	-179.1	58.5	71.8	0	0	0	113.2	L552 A555 C560 L561 L577 L578 R579 D675 C676	L552-W678 HydrophobicContact CD2-CH2 4.2Å; L552-W678 HydrophobicContact CD2-CZ2 4.28Å; A555-W678 HydrophobicContact CB-CH2 3.9Å; A555-W678 HydrophobicContact CB-CZ2 3.49Å; A555-W678 VanDerWaalsContact CB-CZ2 3.49Å; C560-W678 HydrophobicContact CB-CZ2 4.41Å; C560-W678 PolarHBondContact O-NE1 3.28Å; L561-W678 HydrophobicContact CD2-CZ2 4.21Å; L577-W678 HydrophobicContact CB-CB 4.09Å; L577-W678 HydrophobicContact CB-CD2 4.48Å; L577-W678 HydrophobicContact CB-CG 4.05Å; L577-W678 HydrophobicContact CD1-CD2 3.91Å; L577-W678 HydrophobicContact CD1-CE3 4.17Å; L577-W678 HydrophobicContact CD1-CG 4.29Å; L577-W678 HydrophobicContact CD1-CH2 4.39Å; L577-W678 HydrophobicContact CD1-CZ2 4.19Å; L577-W678 HydrophobicContact CD1-CZ3 4.37Å; L577-W678 HydrophobicContact CD2-CD2 4.48Å; L577-W678 HydrophobicContact CD2-CG 4.22Å; L577-W678 HydrophobicContact CG-CG 4.41Å; L578-W678 CarbonylContact O-C 3.52Å; L578-W678 WeakPolarHBondContact O-CA 3.09Å; L578-W678 WeakPolarHBondContact O-CB 2.88Å; R579-W678 HydrophobicContact CG-CB 3.95Å; R579-W678 VanDerWaalsContact CZ-CE3 3.44Å; R579-W678 VanDerWaalsContact NH1-CE3 3.35Å; D675-W678 VanDerWaalsContact CA-CZ3 3.47Å; D675-W678 HydrophobicContact CB-CH2 4.06Å; D675-W678 HydrophobicContact CB-CZ3 4.23Å; C676-W678 PolarHBondContact O-N 2.91Å; C676-W678 VanDerWaalsContact O-N 3.13Å
679	I	96	Very high	92.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129.4	158.2	-55.9	171.8	0	0	0	108.2	L578 F580 Y619 I621 A630 I681 L691	L578-I679 PolarHBondContact N-O 3.08Å; L578-I679 PolarHBondContact O-N 3.45Å; F580-I679 HydrophobicContact CE1-CD1 4.39Å; F580-I679 HydrophobicContact CE1-CG1 4.26Å; Y619-I679 HydrophobicContact CG-CG1 4.49Å; I621-I679 HydrophobicContact CD1-CD1 3.8Å; I621-I679 HydrophobicContact CG1-CD1 3.78Å; I621-I679 HydrophobicContact CG1-CG2 4.1Å; A630-I679 HydrophobicContact CB-CG2 3.87Å; I679-I681 HydrophobicContact CB-CG2 4.4Å; I679-I681 HydrophobicContact CG2-CG2 4.12Å; I679-I681 PolarHBondContact O-N 2.85Å; I679-L691 HydrophobicContact CD1-CD1 3.54Å
680	D	95.7	Very high	92.4	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.016	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	108.7	173.7	-175.2	-15	0	0	0	109.7	A562 R575 L577 T682	A562-D680 HydrophobicContact CB-CB 4.07Å; A562-D680 PolarHBondContact N-OD2 3.18Å; R575-D680 IonicContact CZ-OD1 3.18Å; R575-D680 IonicContact CZ-OD2 2.74Å; R575-D680 IonicContact NE-OD1 3.45Å; R575-D680 PolarHBondContact NE-OD1 3.34Å; R575-D680 IonicContact NE-OD2 2.71Å; R575-D680 PolarHBondContact NE-OD2 3.27Å; R575-D680 VanDerWaalsContact NH2-CG 3.26Å; R575-D680 IonicContact NH2-OD1 3.55Å; R575-D680 PolarHBondContact NH2-OD1 3Å; R575-D680 IonicContact NH2-OD2 2.66Å; R575-D680 PolarHBondContact NH2-OD2 2.81Å; L577-D680 HydrophobicContact CD2-CB 4.07Å; D680-T682 VanDerWaalsContact OD1-CB 3.25Å; D680-T682 WeakPolarHBondContact OD1-CB 3.06Å; D680-T682 PolarHBondContact OD1-N 2.76Å; D680-T682 VanDerWaalsContact OD1-N 3.08Å; D680-T682 PolarHBondContact OD1-OG1 2.77Å
681	I	96.1	Very high	92.6	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.021	22%	0.216	C	C	.	.			trans	-105.6	18.4	-175.7	62.4	162.8	0	0	0	112.3	I544 R576 L578 I679 D683 V684 Y717	I544-I681 HydrophobicContact CD1-CD1 3.7Å; I544-I681 HydrophobicContact CG1-CD1 3.93Å; R576-I681 HydrophobicContact CB-CG1 4.23Å; R576-I681 HydrophobicContact CG-CD1 3.96Å; R576-I681 HydrophobicContact CG-CG1 3.75Å; R576-I681 WeakPolarHBondContact O-CG1 3.33Å; R576-I681 PolarHBondContact O-N 3.4Å; L578-I681 HydrophobicContact CB-CD1 4.2Å; L578-I681 HydrophobicContact CB-CG1 4.4Å; L578-I681 HydrophobicContact CB-CG2 3.99Å; I679-I681 HydrophobicContact CB-CG2 4.4Å; I679-I681 HydrophobicContact CG2-CG2 4.12Å; I679-I681 PolarHBondContact O-N 2.85Å; I681-D683 PolarHBondContact O-N 2.94Å; I681-V684 HydrophobicContact CB-CB 4.05Å; I681-V684 HydrophobicContact CB-CG2 3.95Å; I681-V684 HydrophobicContact CG2-CG2 4.18Å; I681-V684 WeakPolarHBondContact O-CB 3.46Å; I681-V684 PolarHBondContact O-N 3.11Å; I681-V684 VanDerWaalsContact O-N 3.09Å; I681-Y717 HydrophobicContact CD1-CD2 4.48Å; I681-Y717 HydrophobicContact CD1-CE2 4.11Å
682	T	94.8	Very high	92.7	Very high	49 Å²	49	37.6 Å²	37.6	30%	0.301	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-38.5	-177.8	-54.9	0	0	0	0	112.5	R575 R576 D680	R575-T682 WeakPolarHBondContact CA-OG1 3.1Å; R575-T682 PolarHBondContact NE-OG1 2.94Å; R576-T682 PolarHBondContact N-OG1 3.13Å; R576-T682 PolarHBondContact O-N 2.66Å; D680-T682 VanDerWaalsContact OD1-CB 3.25Å; D680-T682 WeakPolarHBondContact OD1-CB 3.06Å; D680-T682 PolarHBondContact OD1-N 2.76Å; D680-T682 VanDerWaalsContact OD1-N 3.08Å; D680-T682 PolarHBondContact OD1-OG1 2.77Å
683	D	93.5	Very high	92.8	Very high	99 Å²	99	34.7 Å²	34.7	53%	0.529	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-1.9	-177.6	-52.3	-48.2	0	0	0	113.2	S564 R575 I681	S564-D683 WeakPolarHBondContact CB-OD2 3.25Å; S564-D683 VanDerWaalsContact OG-CG 3.29Å; S564-D683 PolarHBondContact OG-OD1 3.16Å; S564-D683 PolarHBondContact OG-OD2 3.3Å; R575-D683 IonicContact NH2-OD2 3.61Å; I681-D683 PolarHBondContact O-N 2.94Å
684	V	94.8	Very high	93	Very high	17 Å²	17	32.5 Å²	32.5	10%	0.103	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-79	130.1	-177.8	177.8	0	0	0	0	109.2	I629 A630 I681 Y689 Y717	I629-V684 HydrophobicContact CD1-CG1 3.66Å; I629-V684 HydrophobicContact CD1-CG2 4.19Å; A630-V684 HydrophobicContact CB-CG2 3.65Å; I681-V684 HydrophobicContact CB-CB 4.05Å; I681-V684 HydrophobicContact CB-CG2 3.95Å; I681-V684 HydrophobicContact CG2-CG2 4.18Å; I681-V684 WeakPolarHBondContact O-CB 3.46Å; I681-V684 PolarHBondContact O-N 3.11Å; I681-V684 VanDerWaalsContact O-N 3.09Å; V684-Y689 HydrophobicContact CG1-CE2 3.91Å; V684-Y717 HydrophobicContact CG1-CD1 4.18Å; V684-Y717 HydrophobicContact CG1-CE1 4.46Å; V684-Y717 WeakPolarHBondContact O-CE1 3.16Å
685	K	95	Very high	93.3	Very high	161 Å²	161	30.5 Å²	30.5	70%	0.7	17%	0.165	S	C	*	.	P	Polyproline II helix	trans	-79.4	158.3	175.8	-66.8	-177.5	-178.7	176.8	0	110.7	Y689 Y717	K685-Y689 WeakPolarHBondContact O-CE2 3.34Å; K685-Y689 PolarHBondContact O-OH 2.91Å; K685-Y717 WeakPolarHBondContact O-CD1 3.42Å
686	P	94.4	Very high	93.6	Very high	83 Å²	83	29 Å²	29	54%	0.539	16%	0.157	S	C	.	.	S	Bend	trans	-57.4	139.5	168.4	-25.8	36.1	0	0	0	111.7	Y717	P686-Y717 CarbonylContact C-O 3.54Å; P686-Y717 WeakPolarHBondContact CA-O 3.23Å; P686-Y717 WeakPolarHBondContact CB-O 3.46Å
687	G	91.4	Very high	93.8	Very high	23 Å²	23	30 Å²	30	24%	0.237	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.3	-175.4	-175.2	0	0	0	0	0	113.8	Y717	G687-Y717 PolarHBondContact N-O 3.47Å; G687-Y717 PolarHBondContact O-N 3.26Å
688	N	90.1	Very high	93.7	Very high	57 Å²	57	34 Å²	34	31%	0.305	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	135.1	171.5	-61.6	-74.7	0	0	0	108.9	P624 G746 Q747	P624-N688 WeakPolarHBondContact CD-O 3.41Å; N688-G746 WeakPolarHBondContact OD1-CA 3.48Å; N688-Q747 PolarHBondContact OD1-N 3.29Å
689	Y	92.1	Very high	93.6	Very high	31 Å²	31	37.6 Å²	37.6	12%	0.122	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	168.6	-170.6	-58.9	-66.7	0	0	0	110.6	I621 L622 I629 V684 K685 C715	I621-Y689 HydrophobicContact CG2-CD1 3.98Å; I621-Y689 HydrophobicContact CG2-CD2 4.34Å; I621-Y689 HydrophobicContact CG2-CG 3.7Å; L622-Y689 CarbonylContact O-C 3.44Å; L622-Y689 VanDerWaalsContact O-CA 3.28Å; L622-Y689 WeakPolarHBondContact O-CA 3.46Å; L622-Y689 WeakPolarHBondContact O-CB 3.31Å; I629-Y689 HydrophobicContact CD1-CD1 3.5Å; I629-Y689 VanDerWaalsContact CD1-CD1 3.5Å; I629-Y689 HydrophobicContact CD1-CE1 3.2Å; I629-Y689 HydrophobicContact CD1-CE2 4.42Å; I629-Y689 HydrophobicContact CD1-CG 4.25Å; I629-Y689 HydrophobicContact CG1-CD1 4.23Å; I629-Y689 HydrophobicContact CG1-CE1 4.23Å; V684-Y689 HydrophobicContact CG1-CE2 3.91Å; K685-Y689 WeakPolarHBondContact O-CE2 3.34Å; K685-Y689 PolarHBondContact O-OH 2.91Å; Y689-C715 PolarHBondContact N-O 3.02Å; Y689-C715 WeakPolarHBondContact O-CA 2.98Å; Y689-C715 PolarHBondContact O-N 3.07Å
690	I	92.6	Very high	93.2	Very high	13 Å²	13	40.3 Å²	40.3	7%	0.067	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	122	169.2	-60.6	172.3	0	0	0	106.7	L622 K712 C713	L622-I690 HydrophobicContact CB-CB 4.3Å; L622-I690 PolarHBondContact N-O 3.16Å; L622-I690 PolarHBondContact O-N 2.89Å; I690-K712 HydrophobicContact CG2-CB 4.15Å; I690-K712 HydrophobicContact CG2-CD 4.4Å; I690-K712 HydrophobicContact CG2-CG 4.26Å; I690-C713 WeakPolarHBondContact CA-O 3.35Å
691	L	94.3	Very high	92.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	127.7	167.8	170.2	64.7	0	0	0	107.6	V538 F580 I621 I679 K712 C713 C715 V724	V538-L691 HydrophobicContact CG1-CD2 4.1Å; F580-L691 HydrophobicContact CE1-CD1 4.38Å; I621-L691 HydrophobicContact CD1-CB 4.18Å; I621-L691 HydrophobicContact CD1-CD1 3.72Å; I679-L691 HydrophobicContact CD1-CD1 3.54Å; L691-K712 CarbonylContact O-C 3.6Å; L691-K712 VanDerWaalsContact O-CA 3.32Å; L691-K712 WeakPolarHBondContact O-CA 3.24Å; L691-C713 HydrophobicContact CB-CB 4.24Å; L691-C713 PolarHBondContact N-O 3.17Å; L691-C713 PolarHBondContact O-N 3.32Å; L691-C715 HydrophobicContact CB-CB 4.23Å; L691-V724 HydrophobicContact CD2-CG1 4.16Å; L691-V724 HydrophobicContact CD2-CG2 4.49Å
692	Q	94.9	Very high	92.7	Very high	36 Å²	36	40.9 Å²	40.9	17%	0.168	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	136.8	176	175.1	173.6	73.7	0	0	110.3	D620 L622 V694 M711	D620-Q692 HydrophobicContact CB-CB 4.35Å; D620-Q692 PolarHBondContact N-O 3.13Å; D620-Q692 PolarHBondContact O-N 3.35Å; L622-Q692 HydrophobicContact CD1-CB 4.05Å; Q692-V694 HydrophobicContact CG-CG2 3.76Å; Q692-M711 VanDerWaalsContact CA-O 3.3Å; Q692-M711 WeakPolarHBondContact CA-O 3.31Å
693	V	95.1	Very high	92.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	127.2	170.1	177.6	0	0	0	0	107.8	L533 F580 H618 Y619 A710 M711	L533-V693 HydrophobicContact CD1-CG1 4.49Å; L533-V693 HydrophobicContact CD2-CB 3.69Å; L533-V693 HydrophobicContact CD2-CG1 3.61Å; L533-V693 HydrophobicContact CD2-CG2 4.3Å; F580-V693 HydrophobicContact CE2-CG2 3.81Å; F580-V693 HydrophobicContact CZ-CG2 3.96Å; H618-V693 WeakPolarHBondContact O-CA 3.39Å; Y619-V693 HydrophobicContact CD1-CB 4.31Å; Y619-V693 HydrophobicContact CD1-CG1 3.79Å; Y619-V693 HydrophobicContact CD1-CG2 3.94Å; Y619-V693 HydrophobicContact CE1-CG1 3.74Å; Y619-V693 HydrophobicContact CE1-CG2 4.42Å; V693-A710 CarbonylContact O-C 3.58Å; V693-A710 WeakPolarHBondContact O-CA 3.2Å; V693-M711 HydrophobicContact CB-CE 4.12Å; V693-M711 HydrophobicContact CG2-CE 3.86Å; V693-M711 PolarHBondContact N-O 2.97Å; V693-M711 PolarHBondContact O-N 2.81Å
694	V	94.7	Very high	92.8	Very high	28 Å²	28	34.5 Å²	34.5	17%	0.17	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	122	179	-171.8	0	0	0	0	109.6	T617 H618 Q692 P697 A710	T617-V694 CarbonylContact C-O 3.03Å; T617-V694 VanDerWaalsContact CA-O 3.23Å; T617-V694 WeakPolarHBondContact CA-O 3.47Å; H618-V694 PolarHBondContact N-O 2.68Å; H618-V694 PolarHBondContact O-N 3.37Å; Q692-V694 HydrophobicContact CG-CG2 3.76Å; V694-P697 HydrophobicContact CB-CB 4.28Å; V694-P697 HydrophobicContact CG1-CB 3.84Å; V694-A710 HydrophobicContact CG1-CB 4.49Å; V694-A710 HydrophobicContact CG2-CB 4.11Å
695	I	94.4	Very high	92.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	143.2	175.5	-57.6	158.5	0	0	0	109.9	L531 L533 I584 F616 T617 P697 N709	L531-I695 HydrophobicContact CB-CG2 4.02Å; L531-I695 HydrophobicContact CD1-CG2 3.71Å; L533-I695 HydrophobicContact CB-CD1 3.65Å; L533-I695 HydrophobicContact CD1-CD1 4.15Å; L533-I695 HydrophobicContact CG-CD1 4.47Å; I584-I695 HydrophobicContact CB-CD1 4.42Å; I584-I695 HydrophobicContact CG1-CD1 3.85Å; I584-I695 HydrophobicContact CG1-CG1 4.14Å; I584-I695 HydrophobicContact CG2-CD1 3.88Å; I584-I695 HydrophobicContact CG2-CG2 4.26Å; F616-I695 HydrophobicContact CE2-CG2 4Å; F616-I695 HydrophobicContact CZ-CG2 4Å; T617-I695 HydrophobicContact CG2-CB 4.38Å; T617-I695 HydrophobicContact CG2-CG1 3.93Å; T617-I695 HydrophobicContact CG2-CG2 4.47Å; I695-P697 VanDerWaalsContact C-N 3.31Å; I695-N709 PolarHBondContact N-O 2.84Å; I695-N709 WeakPolarHBondContact O-CB 3.45Å; I695-N709 PolarHBondContact O-ND2 2.7Å
696	N	92.6	Very high	92.6	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	16%	0.156	C	C	.	.	S	Bend	trans	44.9	52.5	-179.2	-173.9	20.5	0	0	0	112.5	F616 N698 F699 E700 V701 E703	F616-N696 PolarHBondContact O-N 3.23Å; N696-N698 PolarHBondContact O-N 2.67Å; N696-N698 VanDerWaalsContact O-N 3.11Å; N696-F699 PolarHBondContact O-N 3.45Å; N696-F699 VanDerWaalsContact O-N 3.08Å; N696-E700 PolarHBondContact OD1-N 3.48Å; N696-V701 PolarHBondContact ND2-O 2.79Å; N696-E703 WeakPolarHBondContact CB-OE1 3.39Å; N696-E703 PolarHBondContact ND2-OE1 3.08Å
697	P	91.4	Very high	92.4	Very high	25 Å²	25	28.3 Å²	28.3	16%	0.162	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-20.8	-166.2	26.9	-36	0	0	0	114	I615 F616 H618 V694 I695	I615-P697 HydrophobicContact CG2-CG 4.08Å; F616-P697 WeakPolarHBondContact O-CD 2.97Å; H618-P697 HydrophobicContact CB-CG 4.39Å; H618-P697 WeakPolarHBondContact CD2-CG 2.99Å; V694-P697 HydrophobicContact CB-CB 4.28Å; V694-P697 HydrophobicContact CG1-CB 3.84Å; I695-P697 VanDerWaalsContact C-N 3.31Å
698	N	89.6	Confident	92.5	Very high	83 Å²	83	27.4 Å²	27.4	44%	0.444	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	3	-179.2	-65.3	-28.4	0	0	0	113.1	N696 E700	N696-N698 PolarHBondContact O-N 2.67Å; N696-N698 VanDerWaalsContact O-N 3.11Å; N698-E700 HydrophobicContact CB-CG 3.87Å; N698-E700 PolarHBondContact ND2-OE1 2.9Å; N698-E700 PolarHBondContact O-N 2.79Å
699	F	91.6	Very high	92.7	Very high	77 Å²	77	24.9 Å²	24.9	34%	0.338	13%	0.13	S	C	.	.			trans	55.7	36.5	-175.1	-43.4	-80.6	0	0	0	112.4	T452 L453 N696 F706	T452-F699 WeakPolarHBondContact CB-O 3.17Å; T452-F699 PolarHBondContact OG1-O 2.9Å; L453-F699 HydrophobicContact CD1-CD2 4.16Å; L453-F699 HydrophobicContact CD1-CE2 4.23Å; L453-F699 HydrophobicContact CD1-CG 4.39Å; L453-F699 HydrophobicContact CD2-CD1 4.2Å; L453-F699 HydrophobicContact CD2-CG 4.4Å; L453-F699 HydrophobicContact CG-CG 4.32Å; N696-F699 PolarHBondContact O-N 3.45Å; N696-F699 VanDerWaalsContact O-N 3.08Å; F699-F706 HydrophobicContact CB-CE1 4.37Å; F699-F706 HydrophobicContact CB-CZ 4.35Å; F699-F706 HydrophobicContact CD1-CB 4.23Å; F699-F706 AromaticContact CD1-CD1 3.55Å; F699-F706 HydrophobicContact CD1-CD1 3.55Å; F699-F706 HydrophobicContact CD1-CD2 4.09Å; F699-F706 AromaticContact CD1-CE1 3.75Å; F699-F706 HydrophobicContact CD1-CE1 3.75Å; F699-F706 HydrophobicContact CD1-CE2 4.28Å; F699-F706 AromaticContact CD1-CG 3.7Å; F699-F706 HydrophobicContact CD1-CG 3.7Å; F699-F706 HydrophobicContact CD1-CZ 4.1Å; F699-F706 HydrophobicContact CE1-CB 3.91Å; F699-F706 HydrophobicContact CE1-CD1 4.04Å; F699-F706 HydrophobicContact CE1-CD2 4.48Å; F699-F706 AromaticContact CE1-CG 3.92Å; F699-F706 HydrophobicContact CE1-CG 3.92Å
700	E	87.7	Confident	92.8	Very high	57 Å²	57	24.6 Å²	24.6	27%	0.266	13%	0.134	S	C	.	.			trans	-67.2	-39.7	-174.6	-79.3	175.8	-148.6	0	0	111.9	M613 N696 N698	M613-E700 HydrophobicContact CE-CB 4.25Å; N696-E700 PolarHBondContact OD1-N 3.48Å; N698-E700 HydrophobicContact CB-CG 3.87Å; N698-E700 PolarHBondContact ND2-OE1 2.9Å; N698-E700 PolarHBondContact O-N 2.79Å
701	V	90.6	Very high	92.8	Very high	13 Å²	13	24 Å²	24	8%	0.079	13%	0.131	C	C	.	.	S	Bend	trans	-107.9	143.9	174.4	-178.3	0	0	0	0	108.7	F592 R593 K595 M613 N696	F592-V701 HydrophobicContact CD2-CB 4.35Å; F592-V701 HydrophobicContact CD2-CG1 3.79Å; F592-V701 HydrophobicContact CE1-CG2 4.45Å; F592-V701 HydrophobicContact CE2-CB 3.48Å; F592-V701 VanDerWaalsContact CE2-CB 3.48Å; F592-V701 HydrophobicContact CE2-CG1 3.42Å; F592-V701 VanDerWaalsContact CE2-CG1 3.42Å; F592-V701 HydrophobicContact CE2-CG2 4.06Å; F592-V701 HydrophobicContact CZ-CB 3.69Å; F592-V701 HydrophobicContact CZ-CG1 3.94Å; F592-V701 HydrophobicContact CZ-CG2 3.73Å; R593-V701 WeakPolarHBondContact O-CG1 3.25Å; R593-V701 WeakPolarHBondContact O-CG2 3.21Å; K595-V701 HydrophobicContact CB-CG2 4.34Å; M613-V701 HydrophobicContact CE-CG2 4.3Å; M613-V701 HydrophobicContact SD-CG2 4.3Å; N696-V701 PolarHBondContact ND2-O 2.79Å
702	A	92.2	Very high	92.8	Very high	5 Å²	5	25.6 Å²	25.6	4%	0.041	14%	0.138	C	C	.	.			trans	-77.3	140.1	-179.5	0	0	0	0	0	112.3	T452 A467 S529	T452-A702 HydrophobicContact CG2-CB 3.66Å; A467-A702 WeakPolarHBondContact O-CB 3.23Å; S529-A702 PolarHBondContact OG-O 3.32Å
703	E	94.9	Very high	92.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-133.3	156.9	177.9	-60.4	-177.7	-110.6	0	0	110.2	M456 S529 L531 N696 F706 N709	M456-E703 WeakPolarHBondContact CE-O 3.32Å; S529-E703 CarbonylContact O-C 3.57Å; S529-E703 WeakPolarHBondContact O-CA 3.45Å; S529-E703 WeakPolarHBondContact O-CB 3.2Å; L531-E703 WeakPolarHBondContact CA-OE2 3.07Å; L531-E703 WeakPolarHBondContact CB-OE2 3.04Å; L531-E703 VanDerWaalsContact CG-OE2 3.29Å; L531-E703 WeakPolarHBondContact CG-OE2 3.45Å; L531-E703 PolarHBondContact N-OE2 2.84Å; N696-E703 WeakPolarHBondContact CB-OE1 3.39Å; N696-E703 PolarHBondContact ND2-OE1 3.08Å; E703-F706 HydrophobicContact CB-CD1 3.99Å; E703-F706 HydrophobicContact CB-CE1 3.64Å; E703-F706 HydrophobicContact CB-CE2 4.42Å; E703-F706 HydrophobicContact CB-CZ 3.89Å; E703-F706 HydrophobicContact CG-CD1 4.3Å; E703-F706 HydrophobicContact CG-CE1 3.75Å; E703-F706 HydrophobicContact CG-CZ 4.28Å; E703-F706 VanDerWaalsContact N-CZ 3.35Å; E703-F706 WeakPolarHBondContact OE1-CE1 2.87Å; E703-N709 PolarHBondContact OE1-ND2 3.03Å
704	S	93.9	Very high	92.5	Very high	15 Å²	15	24.2 Å²	24.2	11%	0.105	13%	0.132	C	C	.	.	S	Bend	trans	-74.7	-27.7	177.5	57.1	0	0	0	0	112.9	S529 D530	S529-S704 PolarHBondContact O-N 3.43Å; D530-S704 WeakPolarHBondContact CB-OG 3.41Å
705	D	93.1	Very high	92.4	Very high	15 Å²	15	23 Å²	23	8%	0.08	13%	0.125	C	C	.	.			trans	-140.2	135.2	173	-165.8	-9.7	0	0	0	108.1	K310 T707 N708 N709	K310-D705 WeakPolarHBondContact CD-OD2 3.31Å; K310-D705 IonicContact NZ-OD1 3.35Å; K310-D705 IonicContact NZ-OD2 3.86Å; K310-D705 PolarHBondContact NZ-OD2 2.89Å; D705-T707 WeakPolarHBondContact OD1-CB 3.41Å; D705-T707 PolarHBondContact OD1-N 3.09Å; D705-T707 PolarHBondContact OD1-OG1 2.87Å; D705-T707 PolarHBondContact OD2-OG1 2.87Å; D705-N708 PolarHBondContact O-OD1 3.45Å; D705-N709 PolarHBondContact O-OD1 3.23Å
706	F	92.6	Very high	92.2	Very high	36 Å²	36	24.3 Å²	24.3	16%	0.158	13%	0.13	C	C	.	.	S	Bend	trans	-111.4	-7.8	174.5	-70.4	-71.6	0	0	0	112	T452 L453 F699 E703 N708 N709	T452-F706 HydrophobicContact CG2-CZ 4.31Å; L453-F706 HydrophobicContact CD2-CD2 4.13Å; L453-F706 HydrophobicContact CD2-CE2 4.1Å; F699-F706 HydrophobicContact CB-CE1 4.37Å; F699-F706 HydrophobicContact CB-CZ 4.35Å; F699-F706 HydrophobicContact CD1-CB 4.23Å; F699-F706 AromaticContact CD1-CD1 3.55Å; F699-F706 HydrophobicContact CD1-CD1 3.55Å; F699-F706 HydrophobicContact CD1-CD2 4.09Å; F699-F706 AromaticContact CD1-CE1 3.75Å; F699-F706 HydrophobicContact CD1-CE1 3.75Å; F699-F706 HydrophobicContact CD1-CE2 4.28Å; F699-F706 AromaticContact CD1-CG 3.7Å; F699-F706 HydrophobicContact CD1-CG 3.7Å; F699-F706 HydrophobicContact CD1-CZ 4.1Å; F699-F706 HydrophobicContact CE1-CB 3.91Å; F699-F706 HydrophobicContact CE1-CD1 4.04Å; F699-F706 HydrophobicContact CE1-CD2 4.48Å; F699-F706 AromaticContact CE1-CG 3.92Å; F699-F706 HydrophobicContact CE1-CG 3.92Å; E703-F706 HydrophobicContact CB-CD1 3.99Å; E703-F706 HydrophobicContact CB-CE1 3.64Å; E703-F706 HydrophobicContact CB-CE2 4.42Å; E703-F706 HydrophobicContact CB-CZ 3.89Å; E703-F706 HydrophobicContact CG-CD1 4.3Å; E703-F706 HydrophobicContact CG-CE1 3.75Å; E703-F706 HydrophobicContact CG-CZ 4.28Å; E703-F706 VanDerWaalsContact N-CZ 3.35Å; E703-F706 WeakPolarHBondContact OE1-CE1 2.87Å; F706-N708 PolarHBondContact O-N 2.58Å; F706-N709 WeakPolarHBondContact CA-OD1 3.48Å; F706-N709 WeakPolarHBondContact O-CB 3.42Å; F706-N709 PolarHBondContact O-N 3.25Å
707	T	91.6	Very high	92.2	Very high	79 Å²	79	24.9 Å²	24.9	49%	0.485	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-14.8	-173.6	63.9	0	0	0	0	112.6	K310 D705	K310-T707 PolarHBondContact NZ-OG1 3.12Å; D705-T707 WeakPolarHBondContact OD1-CB 3.41Å; D705-T707 PolarHBondContact OD1-N 3.09Å; D705-T707 PolarHBondContact OD1-OG1 2.87Å; D705-T707 PolarHBondContact OD2-OG1 2.87Å
708	N	92.9	Very high	92.3	Very high	4 Å²	4	26 Å²	26	2%	0.021	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-2.8	175.8	56.4	-16.9	0	0	0	113.5	D530 L532 D705 F706 A710 I729	D530-N708 PolarHBondContact OD1-ND2 3.21Å; L532-N708 WeakPolarHBondContact CD1-ND2 3.43Å; L532-N708 HydrophobicContact CD2-CB 4.18Å; L532-N708 HydrophobicContact CG-CB 4.23Å; L532-N708 VanDerWaalsContact CG-ND2 3.32Å; L532-N708 WeakPolarHBondContact CG-ND2 3.1Å; D705-N708 PolarHBondContact O-OD1 3.45Å; F706-N708 PolarHBondContact O-N 2.58Å; N708-A710 PolarHBondContact O-N 2.9Å; N708-I729 HydrophobicContact CB-CG2 3.86Å; N708-I729 VanDerWaalsContact O-CG2 3.22Å; N708-I729 WeakPolarHBondContact O-CG2 3.39Å
709	N	94	Very high	92.3	Very high	5 Å²	5	22.7 Å²	22.7	3%	0.027	12%	0.122	C	C	.	.	S	Bend	trans	-67.8	-19.1	178.7	-76.2	41.3	0	0	0	114.3	I695 E703 D705 F706	I695-N709 PolarHBondContact N-O 2.84Å; I695-N709 WeakPolarHBondContact O-CB 3.45Å; I695-N709 PolarHBondContact O-ND2 2.7Å; E703-N709 PolarHBondContact OE1-ND2 3.03Å; D705-N709 PolarHBondContact O-OD1 3.23Å; F706-N709 WeakPolarHBondContact CA-OD1 3.48Å; F706-N709 WeakPolarHBondContact O-CB 3.42Å; F706-N709 PolarHBondContact O-N 3.25Å
710	A	93.4	Very high	92.3	Very high	24 Å²	24	26.2 Å²	26.2	20%	0.198	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	137.5	-177.3	0	0	0	0	0	111.2	V693 V694 N708 G730	V693-A710 CarbonylContact O-C 3.58Å; V693-A710 WeakPolarHBondContact O-CA 3.2Å; V694-A710 HydrophobicContact CG1-CB 4.49Å; V694-A710 HydrophobicContact CG2-CB 4.11Å; N708-A710 PolarHBondContact O-N 2.9Å; A710-G730 PolarHBondContact O-N 3.19Å
711	M	93.9	Very high	92.5	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	142.3	173.2	-177.6	-74.3	-71	0	0	109.2	L533 V538 Q692 V693 C713 C727 H728	L533-M711 HydrophobicContact CB-CB 4.33Å; L533-M711 HydrophobicContact CD2-CB 3.66Å; L533-M711 HydrophobicContact CD2-CE 3.72Å; L533-M711 HydrophobicContact CD2-CG 4Å; V538-M711 HydrophobicContact CB-CE 3.87Å; V538-M711 HydrophobicContact CG1-CE 3.6Å; V538-M711 HydrophobicContact CG2-CE 3.88Å; Q692-M711 VanDerWaalsContact CA-O 3.3Å; Q692-M711 WeakPolarHBondContact CA-O 3.31Å; V693-M711 HydrophobicContact CB-CE 4.12Å; V693-M711 HydrophobicContact CG2-CE 3.86Å; V693-M711 PolarHBondContact N-O 2.97Å; V693-M711 PolarHBondContact O-N 2.81Å; M711-C713 PolarHBondContact SD-SG 3.42Å; M711-C727 HydrophobicContact SD-CB 4.15Å; M711-H728 WeakPolarHBondContact CA-O 3.45Å; M711-H728 WeakPolarHBondContact CG-O 3.48Å
712	K	93.8	Very high	92.5	Very high	35 Å²	35	30.5 Å²	30.5	15%	0.152	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	141.7	175.3	-67	179.9	179	173.7	0	111.3	I690 L691 C727 H728 F741 E742	I690-K712 HydrophobicContact CG2-CB 4.15Å; I690-K712 HydrophobicContact CG2-CD 4.4Å; I690-K712 HydrophobicContact CG2-CG 4.26Å; L691-K712 CarbonylContact O-C 3.6Å; L691-K712 VanDerWaalsContact O-CA 3.32Å; L691-K712 WeakPolarHBondContact O-CA 3.24Å; K712-C727 WeakPolarHBondContact O-CA 3.42Å; K712-H728 PolarHBondContact N-O 3.38Å; K712-H728 PolarHBondContact O-N 3.08Å; K712-H728 PolarHBondContact O-ND1 3.34Å; K712-F741 HydrophobicContact CB-CE1 3.87Å; K712-F741 HydrophobicContact CB-CZ 4.04Å; K712-F741 HydrophobicContact CD-CE1 4.28Å; K712-E742 IonicContact NZ-OE1 3.57Å; K712-E742 PolarHBondContact NZ-OE1 2.76Å
713	C	92.9	Very high	92.5	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	151	170.4	-48.5	0	0	0	0	111.4	I690 L691 M711 V724 C727	I690-C713 WeakPolarHBondContact CA-O 3.35Å; L691-C713 HydrophobicContact CB-CB 4.24Å; L691-C713 PolarHBondContact N-O 3.17Å; L691-C713 PolarHBondContact O-N 3.32Å; M711-C713 PolarHBondContact SD-SG 3.42Å; C713-V724 HydrophobicContact CB-CG1 3.58Å; C713-C727 HydrophobicContact CB-CB 4.06Å; C713-C727 WeakPolarHBondContact CB-SG 3.29Å; C713-C727 VanDerWaalsContact SG-CA 3.52Å; C713-C727 WeakPolarHBondContact SG-CB 3.26Å; C713-C727 CovalentContact SG-SG 2.02Å; C713-C727 PolarHBondContact SG-SG 3.23Å
714	N	91.4	Very high	92.3	Very high	6 Å²	6	32.6 Å²	32.6	3%	0.032	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	130.5	164.7	-74.7	1.7	0	0	0	109.6	V724 H725 F741 Y744	N714-V724 WeakPolarHBondContact O-CA 3.26Å; N714-H725 WeakPolarHBondContact CB-O 3.43Å; N714-H725 PolarHBondContact N-O 3.46Å; N714-H725 PolarHBondContact O-N 3.33Å; N714-H725 PolarHBondContact O-ND1 3.46Å; N714-F741 HydrophobicContact CB-CE2 4.46Å; N714-F741 WeakPolarHBondContact OD1-CE2 3.39Å; N714-F741 WeakPolarHBondContact OD1-CZ 3.26Å; N714-Y744 WeakPolarHBondContact ND2-CD1 2.92Å; N714-Y744 WeakPolarHBondContact ND2-CE1 3.42Å; N714-Y744 VanDerWaalsContact ND2-CG 3.33Å
715	C	91.3	Very high	92.2	Very high	4 Å²	4	32 Å²	32	3%	0.027	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	120.1	-176	179.1	0	0	0	0	110.2	Y689 L691 I722 W723	Y689-C715 PolarHBondContact N-O 3.02Å; Y689-C715 WeakPolarHBondContact O-CA 2.98Å; Y689-C715 PolarHBondContact O-N 3.07Å; L691-C715 HydrophobicContact CB-CB 4.23Å; C715-I722 WeakPolarHBondContact SG-CD1 3.25Å; C715-I722 VanDerWaalsContact SG-CG1 3.58Å; C715-W723 CarbonylContact C-O 3.57Å; C715-W723 WeakPolarHBondContact CA-O 3.31Å
716	K	91.5	Very high	92	Very high	26 Å²	26	35 Å²	35	11%	0.113	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.1	171.5	174.3	173.9	170.4	178.5	0	109.7	I722 W723 Q747 S749 N750	K716-I722 CarbonylContact O-C 3.59Å; K716-I722 VanDerWaalsContact O-CA 3.25Å; K716-I722 WeakPolarHBondContact O-CA 3.47Å; K716-W723 HydrophobicContact CB-CB 4.48Å; K716-W723 HydrophobicContact CB-CE3 4.15Å; K716-W723 HydrophobicContact CD-CE3 4.16Å; K716-W723 HydrophobicContact CD-CZ3 4.43Å; K716-W723 HydrophobicContact CG-CE3 3.89Å; K716-W723 HydrophobicContact CG-CZ3 4.25Å; K716-W723 PolarHBondContact N-O 3.27Å; K716-W723 PolarHBondContact O-N 2.95Å; K716-Q747 HydrophobicContact CD-CB 3.84Å; K716-Q747 WeakPolarHBondContact CD-O 3.4Å; K716-Q747 WeakPolarHBondContact CE-O 3.34Å; K716-Q747 PolarHBondContact NZ-O 3.48Å; K716-S749 PolarHBondContact NZ-O 3.02Å; K716-N750 PolarHBondContact NZ-OD1 3.35Å
717	Y	92.9	Very high	92	Very high	13 Å²	13	34.1 Å²	34.1	5%	0.051	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	122.2	178.2	176	-130	0	0	0	110.1	I544 R576 I681 V684 K685 P686 G687 G719 R721	I544-Y717 HydrophobicContact CD1-CD2 3.72Å; I544-Y717 HydrophobicContact CD1-CE2 3.5Å; R576-Y717 WeakPolarHBondContact CD-OH 3.25Å; R576-Y717 PolarHBondContact NH1-OH 3.27Å; I681-Y717 HydrophobicContact CD1-CD2 4.48Å; I681-Y717 HydrophobicContact CD1-CE2 4.11Å; V684-Y717 HydrophobicContact CG1-CD1 4.18Å; V684-Y717 HydrophobicContact CG1-CE1 4.46Å; V684-Y717 WeakPolarHBondContact O-CE1 3.16Å; K685-Y717 WeakPolarHBondContact O-CD1 3.42Å; P686-Y717 CarbonylContact C-O 3.54Å; P686-Y717 WeakPolarHBondContact CA-O 3.23Å; P686-Y717 WeakPolarHBondContact CB-O 3.46Å; G687-Y717 PolarHBondContact N-O 3.47Å; G687-Y717 PolarHBondContact O-N 3.26Å; Y717-G719 VanDerWaalsContact CZ-CA 3.49Å; Y717-R721 WeakPolarHBondContact CD2-O 3.18Å
718	D	91.9	Very high	92	Very high	50 Å²	50	30.7 Å²	30.7	27%	0.267	15%	0.15	S	C	.	.			trans	-98.7	1	179.9	73.4	-1.7	0	0	0	113.8	H720 R721 W723	D718-H720 WeakPolarHBondContact OD1-CA 3.12Å; D718-H720 PolarHBondContact OD1-N 3.3Å; D718-R721 PolarHBondContact N-O 3.08Å; D718-R721 VanDerWaalsContact N-O 3.13Å; D718-R721 PolarHBondContact OD1-N 2.87Å; D718-R721 IonicContact OD2-NE 3.25Å; D718-R721 IonicContact OD2-NH2 2.94Å; D718-W723 HydrophobicContact CB-CH2 4.24Å; D718-W723 HydrophobicContact CB-CZ3 3.89Å; D718-W723 VanDerWaalsContact OD2-CH2 3.25Å; D718-W723 WeakPolarHBondContact OD2-CH2 3.44Å
719	G	90.9	Very high	91.9	Very high	12 Å²	12	31.2 Å²	31.2	12%	0.124	15%	0.152	C	C	.	.	S	Bend	trans	92.9	-8.1	-173.2	0	0	0	0	0	114.4	R576 Y717	R576-G719 PolarHBondContact NH1-O 3.48Å; Y717-G719 VanDerWaalsContact CZ-CA 3.49Å
720	H	90.9	Very high	91	Very high	151 Å²	151	31.9 Å²	31.9	70%	0.699	16%	0.16	S	C	*	.	S	Bend	trans	-131.1	-32.2	177.2	-62.5	-70.3	0	0	0	112.7	D718	D718-H720 WeakPolarHBondContact OD1-CA 3.12Å; D718-H720 PolarHBondContact OD1-N 3.3Å
721	R	91.3	Very high	90.6	Very high	137 Å²	137	32 Å²	32	52%	0.517	16%	0.158	S	C	.	.			trans	-137.4	158.9	-178	-67.9	177	-65.4	-169.4	-3.5	110.1	Y717 D718 W723	Y717-R721 WeakPolarHBondContact CD2-O 3.18Å; D718-R721 PolarHBondContact N-O 3.08Å; D718-R721 VanDerWaalsContact N-O 3.13Å; D718-R721 PolarHBondContact OD1-N 2.87Å; D718-R721 IonicContact OD2-NE 3.25Å; D718-R721 IonicContact OD2-NH2 2.94Å; R721-W723 HydrophobicContact CB-CH2 3.99Å; R721-W723 HydrophobicContact CB-CZ2 4.17Å; R721-W723 HydrophobicContact CB-CZ3 4.29Å
722	I	91.2	Very high	90.2	Very high	24 Å²	24	33.4 Å²	33.4	12%	0.123	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	142.7	175.5	-163.3	147	0	0	0	109.7	I544 L578 C715 K716 V724	I544-I722 HydrophobicContact CD1-CB 3.65Å; I544-I722 HydrophobicContact CD1-CD1 4.36Å; I544-I722 HydrophobicContact CD1-CG2 3.9Å; I544-I722 HydrophobicContact CG1-CB 4.02Å; I544-I722 HydrophobicContact CG1-CG2 3.69Å; L578-I722 HydrophobicContact CD1-CD1 3.69Å; L578-I722 HydrophobicContact CD1-CG1 4.39Å; L578-I722 HydrophobicContact CD1-CG2 3.92Å; L578-I722 HydrophobicContact CD2-CD1 3.65Å; L578-I722 HydrophobicContact CG-CD1 4.18Å; C715-I722 WeakPolarHBondContact SG-CD1 3.25Å; C715-I722 VanDerWaalsContact SG-CG1 3.58Å; K716-I722 CarbonylContact O-C 3.59Å; K716-I722 VanDerWaalsContact O-CA 3.25Å; K716-I722 WeakPolarHBondContact O-CA 3.47Å; I722-V724 HydrophobicContact CG1-CG2 4.3Å
723	W	92.1	Very high	89.9	Confident	36 Å²	36	34.5 Å²	34.5	14%	0.136	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	115.4	172.4	-62.4	-90.9	0	0	0	108.6	C715 K716 D718 R721 N750	C715-W723 CarbonylContact C-O 3.57Å; C715-W723 WeakPolarHBondContact CA-O 3.31Å; K716-W723 HydrophobicContact CB-CB 4.48Å; K716-W723 HydrophobicContact CB-CE3 4.15Å; K716-W723 HydrophobicContact CD-CE3 4.16Å; K716-W723 HydrophobicContact CD-CZ3 4.43Å; K716-W723 HydrophobicContact CG-CE3 3.89Å; K716-W723 HydrophobicContact CG-CZ3 4.25Å; K716-W723 PolarHBondContact N-O 3.27Å; K716-W723 PolarHBondContact O-N 2.95Å; D718-W723 HydrophobicContact CB-CH2 4.24Å; D718-W723 HydrophobicContact CB-CZ3 3.89Å; D718-W723 VanDerWaalsContact OD2-CH2 3.25Å; D718-W723 WeakPolarHBondContact OD2-CH2 3.44Å; R721-W723 HydrophobicContact CB-CH2 3.99Å; R721-W723 HydrophobicContact CB-CZ2 4.17Å; R721-W723 HydrophobicContact CB-CZ3 4.29Å; W723-N750 HydrophobicContact CH2-CB 4.43Å; W723-N750 HydrophobicContact CZ2-CB 3.9Å
724	V	92.1	Very high	89.6	Confident	13 Å²	13	34.6 Å²	34.6	8%	0.079	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	124.5	175	-177.2	0	0	0	0	107.7	Q539 A542 L691 C713 N714 I722 C727	Q539-V724 VanDerWaalsContact CG-O 3.32Å; Q539-V724 WeakPolarHBondContact CG-O 3.49Å; A542-V724 HydrophobicContact CB-CB 3.95Å; A542-V724 HydrophobicContact CB-CG1 4.5Å; A542-V724 HydrophobicContact CB-CG2 3.63Å; L691-V724 HydrophobicContact CD2-CG1 4.16Å; L691-V724 HydrophobicContact CD2-CG2 4.49Å; C713-V724 HydrophobicContact CB-CG1 3.58Å; N714-V724 WeakPolarHBondContact O-CA 3.26Å; I722-V724 HydrophobicContact CG1-CG2 4.3Å; V724-C727 VanDerWaalsContact CG1-SG 3.53Å
725	H	90.4	Very high	89.3	Confident	3 Å²	3	40.5 Å²	40.5	1%	0.014	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	168.2	-177.8	62.7	-73	0	0	0	111.7	Q539 N714 C727 Y744 Q747 I752	Q539-H725 VanDerWaalsContact OE1-C 3.26Å; Q539-H725 VanDerWaalsContact OE1-CA 3.3Å; N714-H725 WeakPolarHBondContact CB-O 3.43Å; N714-H725 PolarHBondContact N-O 3.46Å; N714-H725 PolarHBondContact O-N 3.33Å; N714-H725 PolarHBondContact O-ND1 3.46Å; H725-C727 PolarHBondContact O-N 3.26Å; H725-Y744 AromaticContact NE2-CE1 3.8Å; H725-Y744 AromaticContact NE2-CZ 3.97Å; H725-Q747 PolarHBondContact CE1-OE1 3Å; H725-Q747 VanDerWaalsContact CE1-OE1 3.29Å; H725-I752 HydrophobicContact CB-CG2 3.9Å
726	N	89.4	Confident	88.9	Confident	77 Å²	77	44.2 Å²	44.2	41%	0.412	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	52.6	37.4	-176.6	-64.2	-12.9	0	0	0	112.7	H728 F741	N726-H728 PolarHBondContact O-N 2.94Å; N726-H728 PolarHBondContact O-ND1 2.82Å; N726-F741 HydrophobicContact CB-CD2 4.36Å; N726-F741 HydrophobicContact CB-CE2 4.03Å; N726-F741 WeakPolarHBondContact O-CE2 3.25Å
727	C	92.1	Very high	88.5	Confident	17 Å²	17	44 Å²	44	12%	0.115	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	130.2	173.6	-66.4	0	0	0	0	110.3	S535 Q539 M711 K712 C713 V724 H725	S535-C727 WeakPolarHBondContact O-CB 3.45Å; Q539-C727 HydrophobicContact CB-CB 4.06Å; Q539-C727 VanDerWaalsContact CB-SG 3.53Å; Q539-C727 HydrophobicContact CG-CB 4.47Å; M711-C727 HydrophobicContact SD-CB 4.15Å; K712-C727 WeakPolarHBondContact O-CA 3.42Å; C713-C727 HydrophobicContact CB-CB 4.06Å; C713-C727 WeakPolarHBondContact CB-SG 3.29Å; C713-C727 VanDerWaalsContact SG-CA 3.52Å; C713-C727 WeakPolarHBondContact SG-CB 3.26Å; C713-C727 CovalentContact SG-SG 2.02Å; C713-C727 PolarHBondContact SG-SG 3.23Å; V724-C727 VanDerWaalsContact CG1-SG 3.53Å; H725-C727 PolarHBondContact O-N 3.26Å
728	H	91.6	Very high	88.1	Confident	8 Å²	8	44.9 Å²	44.9	4%	0.037	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	157.2	177.4	61.7	-73.7	0	0	0	110.7	M711 K712 N726 A732 F733 F741	M711-H728 WeakPolarHBondContact CA-O 3.45Å; M711-H728 WeakPolarHBondContact CG-O 3.48Å; K712-H728 PolarHBondContact N-O 3.38Å; K712-H728 PolarHBondContact O-N 3.08Å; K712-H728 PolarHBondContact O-ND1 3.34Å; N726-H728 PolarHBondContact O-N 2.94Å; N726-H728 PolarHBondContact O-ND1 2.82Å; H728-A732 HydrophobicContact CB-CB 4.45Å; H728-F733 HydrophobicContact CB-CE2 4.04Å; H728-F733 HydrophobicContact CB-CZ 3.96Å; H728-F733 AromaticContact CD2-CD2 3.37Å; H728-F733 WeakPolarHBondContact CD2-CD2 3.49Å; H728-F733 AromaticContact CD2-CE2 3.43Å; H728-F733 VanDerWaalsContact CD2-CE2 3.43Å; H728-F733 WeakPolarHBondContact CD2-CE2 3.39Å; H728-F733 AromaticContact CE1-CD2 3.89Å; H728-F733 AromaticContact CE1-CE2 3.62Å; H728-F733 AromaticContact CG-CD2 3.85Å; H728-F733 AromaticContact CG-CE2 3.38Å; H728-F733 AromaticContact CG-CZ 3.84Å; H728-F733 AromaticContact ND1-CE2 3.49Å; H728-F733 WeakPolarHBondContact ND1-CE2 3.25Å; H728-F733 AromaticContact NE2-CD2 3.41Å; H728-F733 WeakPolarHBondContact NE2-CD2 3.48Å; H728-F733 AromaticContact NE2-CE2 3.59Å; H728-F741 AromaticContact CE1-CD1 3.67Å; H728-F741 AromaticContact CE1-CD2 3.45Å; H728-F741 VanDerWaalsContact CE1-CD2 3.45Å; H728-F741 WeakPolarHBondContact CE1-CD2 3.27Å; H728-F741 AromaticContact CE1-CE1 3.63Å; H728-F741 AromaticContact CE1-CE2 3.37Å; H728-F741 WeakPolarHBondContact CE1-CE2 3.2Å; H728-F741 AromaticContact CE1-CG 3.59Å; H728-F741 AromaticContact CE1-CZ 3.47Å; H728-F741 VanDerWaalsContact CE1-CZ 3.47Å; H728-F741 WeakPolarHBondContact CE1-CZ 3.35Å; H728-F741 AromaticContact ND1-CE2 3.8Å
729	I	91.4	Very high	87.6	Confident	14 Å²	14	47.8 Å²	47.8	7%	0.072	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	141.4	172.9	-58	173.4	0	0	0	108.5	M366 L532 N708 D731 A732	M366-I729 HydrophobicContact SD-CD1 3.82Å; L532-I729 HydrophobicContact CB-CD1 4.42Å; L532-I729 HydrophobicContact CD2-CD1 4.08Å; N708-I729 HydrophobicContact CB-CG2 3.86Å; N708-I729 VanDerWaalsContact O-CG2 3.22Å; N708-I729 WeakPolarHBondContact O-CG2 3.39Å; I729-D731 WeakPolarHBondContact CG2-OD1 3.39Å; I729-D731 PolarHBondContact O-N 3.38Å; I729-A732 HydrophobicContact CB-CB 4.4Å; I729-A732 WeakPolarHBondContact O-CB 3.5Å; I729-A732 PolarHBondContact O-N 2.87Å
730	G	75.8	Confident	87.2	Confident	19 Å²	19	55.1 Å²	55.1	20%	0.196	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-20.7	-165.8	0	0	0	0	0	115.4	A710 N738	A710-G730 PolarHBondContact O-N 3.19Å; G730-N738 PolarHBondContact O-ND2 2.97Å
731	D	83.6	Confident	86.8	Confident	27 Å²	27	48.7 Å²	48.7	14%	0.144	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	7.8	179.1	79.3	-39.6	0	0	0	113.8	R308 K310 W328 I729 F733	R308-D731 IonicContact CZ-OD2 2.77Å; R308-D731 PolarHBondContact NH1-O 2.05Å; R308-D731 IonicContact NH1-OD2 3.31Å; R308-D731 PolarHBondContact NH2-O 3.2Å; R308-D731 VanDerWaalsContact NH2-O 3.15Å; R308-D731 IonicContact NH2-OD2 3.41Å; R308-D731 PolarHBondContact NH2-OD2 2.86Å; K310-D731 IonicContact NZ-OD2 2.99Å; K310-D731 PolarHBondContact NZ-OD2 3.48Å; W328-D731 VanDerWaalsContact CD1-O 3.29Å; I729-D731 WeakPolarHBondContact CG2-OD1 3.39Å; I729-D731 PolarHBondContact O-N 3.38Å; D731-F733 VanDerWaalsContact C-N 3.29Å; D731-F733 PolarHBondContact O-N 3.18Å
732	A	86.2	Confident	86.1	Confident	29 Å²	29	45.9 Å²	45.9	24%	0.24	22%	0.221	C	C	.	.	S	Bend	trans	-71.1	-22.1	-178.2	0	0	0	0	0	113.4	W328 H728 I729	W328-A732 PolarHBondContact N-O 2.76Å; H728-A732 HydrophobicContact CB-CB 4.45Å; I729-A732 HydrophobicContact CB-CB 4.4Å; I729-A732 WeakPolarHBondContact O-CB 3.5Å; I729-A732 PolarHBondContact O-N 2.87Å
733	F	88.1	Confident	85.3	Confident	59 Å²	59	54 Å²	54	26%	0.259	25%	0.25	S	S	.	.	B	Isolated β-bridge	trans	-107.8	156.1	-178.8	-66.1	-25	0	0	0	112.9	S326 T327 H728 D731 A737	S326-F733 WeakPolarHBondContact O-CA 3.34Å; T327-F733 HydrophobicContact CG2-CD1 3.86Å; T327-F733 HydrophobicContact CG2-CE1 3.78Å; H728-F733 HydrophobicContact CB-CE2 4.04Å; H728-F733 HydrophobicContact CB-CZ 3.96Å; H728-F733 AromaticContact CD2-CD2 3.37Å; H728-F733 WeakPolarHBondContact CD2-CD2 3.49Å; H728-F733 AromaticContact CD2-CE2 3.43Å; H728-F733 VanDerWaalsContact CD2-CE2 3.43Å; H728-F733 WeakPolarHBondContact CD2-CE2 3.39Å; H728-F733 AromaticContact CE1-CD2 3.89Å; H728-F733 AromaticContact CE1-CE2 3.62Å; H728-F733 AromaticContact CG-CD2 3.85Å; H728-F733 AromaticContact CG-CE2 3.38Å; H728-F733 AromaticContact CG-CZ 3.84Å; H728-F733 AromaticContact ND1-CE2 3.49Å; H728-F733 WeakPolarHBondContact ND1-CE2 3.25Å; H728-F733 AromaticContact NE2-CD2 3.41Å; H728-F733 WeakPolarHBondContact NE2-CD2 3.48Å; H728-F733 AromaticContact NE2-CE2 3.59Å; D731-F733 VanDerWaalsContact C-N 3.29Å; D731-F733 PolarHBondContact O-N 3.18Å; F733-A737 HydrophobicContact CB-CB 4.1Å
734	S	86.6	Confident	84.1	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.007	26%	0.255	C	S	.	.			trans	-52.7	152.9	161.6	49.6	0	0	0	0	112.3	E304 S326 E736 A737 N738	E304-S734 WeakPolarHBondContact OE1-CB 3.21Å; S326-S734 VanDerWaalsContact CB-OG 3.3Å; S326-S734 WeakPolarHBondContact CB-OG 3.11Å; S326-S734 PolarHBondContact O-N 2.91Å; S326-S734 PolarHBondContact O-OG 3.28Å; S326-S734 PolarHBondContact OG-OG 2.03Å; S734-E736 VanDerWaalsContact C-N 3.26Å; S734-E736 PolarHBondContact O-N 2.66Å; S734-A737 PolarHBondContact O-N 2.71Å; S734-A737 VanDerWaalsContact O-N 3.14Å; S734-A737 WeakPolarHBondContact OG-CB 3.15Å; S734-A737 PolarHBondContact OG-N 3.03Å; S734-N738 WeakPolarHBondContact O-CB 3.34Å; S734-N738 PolarHBondContact O-N 2.93Å
735	E	84.4	Confident	82.6	Confident	130 Å²	130	60 Å²	60	61%	0.607	29%	0.287	S	S	*	.	H	α-helix	trans	-57.7	-40	178	-167.9	-175.1	171.5	0	0	111.9	N738 R739	E735-N738 PolarHBondContact O-N 2.99Å; E735-R739 WeakPolarHBondContact O-CB 2.92Å; E735-R739 VanDerWaalsContact O-CG 3.28Å; E735-R739 WeakPolarHBondContact O-CG 3.15Å; E735-R739 PolarHBondContact O-N 3.35Å; E735-R739 IonicContact OE1-CZ 3.99Å; E735-R739 IonicContact OE1-NE 2.87Å; E735-R739 IonicContact OE1-NH2 3.88Å; E735-R739 PolarHBondContact OE1-NH2 2.49Å
736	E	83.1	Confident	81.2	Confident	83 Å²	83	60.2 Å²	60.2	39%	0.388	29%	0.29	S	S	.	.	H	α-helix	trans	-68.2	-41.3	177.3	175	59.3	-169	0	0	112.2	S734 R739 R740	S734-E736 VanDerWaalsContact C-N 3.26Å; S734-E736 PolarHBondContact O-N 2.66Å; E736-R739 PolarHBondContact O-N 2.03Å; E736-R740 WeakPolarHBondContact O-CG 3.07Å; E736-R740 PolarHBondContact O-N 2.74Å; E736-R740 IonicContact OE1-CZ 3.53Å; E736-R740 IonicContact OE1-NE 3.98Å; E736-R740 PolarHBondContact OE1-NE 3.36Å; E736-R740 IonicContact OE1-NH2 2.76Å; E736-R740 PolarHBondContact OE1-NH2 2.91Å
737	A	83	Confident	80	Confident	22 Å²	22	56.7 Å²	56.7	18%	0.182	27%	0.271	C	S	.	.	H	α-helix	trans	-67.7	-36.9	175.5	0	0	0	0	0	112	F733 S734 R740 F741	F733-A737 HydrophobicContact CB-CB 4.1Å; S734-A737 PolarHBondContact O-N 2.71Å; S734-A737 VanDerWaalsContact O-N 3.14Å; S734-A737 WeakPolarHBondContact OG-CB 3.15Å; S734-A737 PolarHBondContact OG-N 3.03Å; A737-R740 WeakPolarHBondContact O-CB 3.09Å; A737-R740 PolarHBondContact O-N 2.9Å; A737-F741 PolarHBondContact O-N 3.16Å
738	N	83.9	Confident	78.3	Confident	30 Å²	30	62.4 Å²	62.4	16%	0.16	31%	0.305	C	S	.	.	H	α-helix	trans	-65.3	-41.3	174.9	-157.9	7.7	0	0	0	111.2	G730 S734 E735 R740 F741 E742	G730-N738 PolarHBondContact O-ND2 2.97Å; S734-N738 WeakPolarHBondContact O-CB 3.34Å; S734-N738 PolarHBondContact O-N 2.93Å; E735-N738 PolarHBondContact O-N 2.99Å; N738-R740 VanDerWaalsContact C-N 3.29Å; N738-R740 PolarHBondContact O-N 2.96Å; N738-F741 WeakPolarHBondContact O-CB 3.43Å; N738-F741 PolarHBondContact O-N 2.69Å; N738-F741 VanDerWaalsContact O-N 3.15Å; N738-E742 WeakPolarHBondContact O-CG 3.35Å; N738-E742 PolarHBondContact O-N 3.02Å
739	R	81.7	Confident	76.8	Confident	112 Å²	112	64.1 Å²	64.1	42%	0.423	32%	0.318	S	S	.	.	H	α-helix	trans	-61.5	-35.9	171.9	-73.9	172.9	-177.8	-172	2.3	112.7	E735 E736 R743	E735-R739 WeakPolarHBondContact O-CB 2.92Å; E735-R739 VanDerWaalsContact O-CG 3.28Å; E735-R739 WeakPolarHBondContact O-CG 3.15Å; E735-R739 PolarHBondContact O-N 3.35Å; E735-R739 IonicContact OE1-CZ 3.99Å; E735-R739 IonicContact OE1-NE 2.87Å; E735-R739 IonicContact OE1-NH2 3.88Å; E735-R739 PolarHBondContact OE1-NH2 2.49Å; E736-R739 PolarHBondContact O-N 2.03Å; R739-R743 VanDerWaalsContact O-CB 3.28Å; R739-R743 WeakPolarHBondContact O-CB 2.85Å; R739-R743 WeakPolarHBondContact O-CG 3.36Å; R739-R743 PolarHBondContact O-N 2.99Å
740	R	82.1	Confident	75.4	Confident	166 Å²	166	67.3 Å²	67.3	63%	0.626	34%	0.336	S	S	*	.	H	α-helix	trans	-69	-38	174.1	-72.1	173.8	-170.3	-174.9	4.3	112	E736 A737 N738 R743 Y744	E736-R740 WeakPolarHBondContact O-CG 3.07Å; E736-R740 PolarHBondContact O-N 2.74Å; E736-R740 IonicContact OE1-CZ 3.53Å; E736-R740 IonicContact OE1-NE 3.98Å; E736-R740 PolarHBondContact OE1-NE 3.36Å; E736-R740 IonicContact OE1-NH2 2.76Å; E736-R740 PolarHBondContact OE1-NH2 2.91Å; A737-R740 WeakPolarHBondContact O-CB 3.09Å; A737-R740 PolarHBondContact O-N 2.9Å; N738-R740 VanDerWaalsContact C-N 3.29Å; N738-R740 PolarHBondContact O-N 2.96Å; R740-R743 CarbonylContact O-C 3.34Å; R740-R743 PolarHBondContact O-N 2.85Å; R740-Y744 PolarHBondContact O-N 3.31Å; R740-Y744 VanDerWaalsContact O-N 3.14Å
741	F	83.7	Confident	74.5	Confident	16 Å²	16	73.7 Å²	73.7	7%	0.07	36%	0.36	C	S	.	.	H	α-helix	trans	-60.5	-49.1	172.6	170.2	-91.1	0	0	0	111.1	K712 N714 N726 H728 A737 N738 R743 Y744	K712-F741 HydrophobicContact CB-CE1 3.87Å; K712-F741 HydrophobicContact CB-CZ 4.04Å; K712-F741 HydrophobicContact CD-CE1 4.28Å; N714-F741 HydrophobicContact CB-CE2 4.46Å; N714-F741 WeakPolarHBondContact OD1-CE2 3.39Å; N714-F741 WeakPolarHBondContact OD1-CZ 3.26Å; N726-F741 HydrophobicContact CB-CD2 4.36Å; N726-F741 HydrophobicContact CB-CE2 4.03Å; N726-F741 WeakPolarHBondContact O-CE2 3.25Å; H728-F741 AromaticContact CE1-CD1 3.67Å; H728-F741 AromaticContact CE1-CD2 3.45Å; H728-F741 VanDerWaalsContact CE1-CD2 3.45Å; H728-F741 WeakPolarHBondContact CE1-CD2 3.27Å; H728-F741 AromaticContact CE1-CE1 3.63Å; H728-F741 AromaticContact CE1-CE2 3.37Å; H728-F741 WeakPolarHBondContact CE1-CE2 3.2Å; H728-F741 AromaticContact CE1-CG 3.59Å; H728-F741 AromaticContact CE1-CZ 3.47Å; H728-F741 VanDerWaalsContact CE1-CZ 3.47Å; H728-F741 WeakPolarHBondContact CE1-CZ 3.35Å; H728-F741 AromaticContact ND1-CE2 3.8Å; A737-F741 PolarHBondContact O-N 3.16Å; N738-F741 WeakPolarHBondContact O-CB 3.43Å; N738-F741 PolarHBondContact O-N 2.69Å; N738-F741 VanDerWaalsContact O-N 3.15Å; F741-R743 VanDerWaalsContact C-N 3.32Å; F741-R743 PolarHBondContact O-N 3.33Å; F741-Y744 WeakPolarHBondContact O-CB 3.21Å; F741-Y744 PolarHBondContact O-N 3.38Å; F741-Y744 VanDerWaalsContact O-N 3.08Å
742	E	76.8	Confident	73.2	Confident	77 Å²	77	77.1 Å²	77.1	36%	0.36	38%	0.378	S	S	.	.	H	α-helix	trans	-66.9	-32.6	179.1	-68.2	-177.3	159.9	0	0	113	K712 N738 Y744	K712-E742 IonicContact NZ-OE1 3.57Å; K712-E742 PolarHBondContact NZ-OE1 2.76Å; N738-E742 WeakPolarHBondContact O-CG 3.35Å; N738-E742 PolarHBondContact O-N 3.02Å; E742-Y744 PolarHBondContact O-N 3.13Å
743	R	73.5	Confident	71.5	Confident	194 Å²	194	84.4 Å²	84.4	73%	0.732	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	3.1	174.8	-71.1	176.4	-176.4	-177.8	2.5	113.7	R739 R740 F741 P745	R739-R743 VanDerWaalsContact O-CB 3.28Å; R739-R743 WeakPolarHBondContact O-CB 2.85Å; R739-R743 WeakPolarHBondContact O-CG 3.36Å; R739-R743 PolarHBondContact O-N 2.99Å; R740-R743 CarbonylContact O-C 3.34Å; R740-R743 PolarHBondContact O-N 2.85Å; F741-R743 VanDerWaalsContact C-N 3.32Å; F741-R743 PolarHBondContact O-N 3.33Å; R743-P745 WeakPolarHBondContact O-CD 3.31Å; R743-P745 VanDerWaalsContact O-N 3.11Å
744	Y	67.4	Low	70.7	Confident	61 Å²	61	85.7 Å²	85.7	24%	0.239	42%	0.418	C	S	.	.			trans	-55.4	121.1	178.1	-178.5	-111.1	0	0	0	108.8	N714 H725 R740 F741 E742 G746 Q747	N714-Y744 WeakPolarHBondContact ND2-CD1 2.92Å; N714-Y744 WeakPolarHBondContact ND2-CE1 3.42Å; N714-Y744 VanDerWaalsContact ND2-CG 3.33Å; H725-Y744 AromaticContact NE2-CE1 3.8Å; H725-Y744 AromaticContact NE2-CZ 3.97Å; R740-Y744 PolarHBondContact O-N 3.31Å; R740-Y744 VanDerWaalsContact O-N 3.14Å; F741-Y744 WeakPolarHBondContact O-CB 3.21Å; F741-Y744 PolarHBondContact O-N 3.38Å; F741-Y744 VanDerWaalsContact O-N 3.08Å; E742-Y744 PolarHBondContact O-N 3.13Å; Y744-G746 PolarHBondContact O-N 3.24Å; Y744-Q747 HydrophobicContact CE1-CB 4.31Å
745	P	59.5	Low	69.8	Low	115 Å²	115	90.2 Å²	90.2	75%	0.747	44%	0.44	S	S	*	.			trans	-70.1	8.3	-172.7	29	-35.7	0	0	0	113.2	R743	R743-P745 WeakPolarHBondContact O-CD 3.31Å; R743-P745 VanDerWaalsContact O-N 3.11Å
746	G	61	Low	69	Low	7 Å²	7	87.9 Å²	87.9	7%	0.072	43%	0.431	C	S	.	.			trans	82	163	-167.8	0	0	0	0	0	111.8	N688 Y744 T748	N688-G746 WeakPolarHBondContact OD1-CA 3.48Å; Y744-G746 PolarHBondContact O-N 3.24Å; G746-T748 PolarHBondContact O-N 2.78Å
747	Q	65	Low	68.2	Low	4 Å²	4	88.2 Å²	88.2	2%	0.019	43%	0.433	C	S	.	.			trans	-82.6	114.7	-178.8	-160.6	-174.2	-19.1	0	0	108.4	N688 K716 H725 Y744 S749 Q751 I752	N688-Q747 PolarHBondContact OD1-N 3.29Å; K716-Q747 HydrophobicContact CD-CB 3.84Å; K716-Q747 WeakPolarHBondContact CD-O 3.4Å; K716-Q747 WeakPolarHBondContact CE-O 3.34Å; K716-Q747 PolarHBondContact NZ-O 3.48Å; H725-Q747 PolarHBondContact CE1-OE1 3Å; H725-Q747 VanDerWaalsContact CE1-OE1 3.29Å; Y744-Q747 HydrophobicContact CE1-CB 4.31Å; Q747-S749 VanDerWaalsContact C-N 3.34Å; Q747-S749 WeakPolarHBondContact CG-O 3.44Å; Q747-S749 PolarHBondContact NE2-O 3.22Å; Q747-Q751 PolarHBondContact NE2-O 3.25Å; Q747-I752 VanDerWaalsContact NE2-N 3.18Å
748	T	57.1	Low	67.3	Low	136 Å²	136	92.4 Å²	92.4	83%	0.834	45%	0.449	S	S	*	.	S	Bend	trans	-76.8	-22.6	-178.6	49	0	0	0	0	112.9	G746	G746-T748 PolarHBondContact O-N 2.78Å
749	S	59.3	Low	66.2	Low	44 Å²	44	96.5 Å²	96.5	31%	0.308	47%	0.468	S	S	.	.	S	Bend	trans	-112.4	176.8	175.2	81.1	0	0	0	0	111.6	K716 Q747 Q751	K716-S749 PolarHBondContact NZ-O 3.02Å; Q747-S749 VanDerWaalsContact C-N 3.34Å; Q747-S749 WeakPolarHBondContact CG-O 3.44Å; Q747-S749 PolarHBondContact NE2-O 3.22Å; S749-Q751 VanDerWaalsContact C-N 3.33Å; S749-Q751 PolarHBondContact OG-N 2.92Å; S749-Q751 VanDerWaalsContact OG-N 3.14Å; S749-Q751 PolarHBondContact OG-O 3.46Å
750	N	62.3	Low	65.1	Low	81 Å²	81	95.4 Å²	95.4	43%	0.433	47%	0.472	S	S	.	.	S	Bend	trans	-92.3	6.1	172	-63.9	-11.8	0	0	0	112.3	K716 W723	K716-N750 PolarHBondContact NZ-OD1 3.35Å; W723-N750 HydrophobicContact CH2-CB 4.43Å; W723-N750 HydrophobicContact CZ2-CB 3.9Å
751	Q	56.7	Low	63.8	Low	153 Å²	153	90 Å²	90	72%	0.715	46%	0.46	S	S	*	.	S	Bend	trans	-94.5	121.6	175.4	-70.6	-173.4	-31.6	0	0	109.1	Q747 S749 I753	Q747-Q751 PolarHBondContact NE2-O 3.25Å; S749-Q751 VanDerWaalsContact C-N 3.33Å; S749-Q751 PolarHBondContact OG-N 2.92Å; S749-Q751 VanDerWaalsContact OG-N 3.14Å; S749-Q751 PolarHBondContact OG-O 3.46Å; Q751-I753 PolarHBondContact O-N 3.46Å
752	I	56	Low	62.1	Low	100 Å²	100	96.2 Å²	96.2	51%	0.513	49%	0.492	S	S	.	.			trans	-67	120.3	173.6	-55.8	173.1	0	0	0	106	H725 Q747	H725-I752 HydrophobicContact CB-CG2 3.9Å; Q747-I752 VanDerWaalsContact NE2-N 3.18Å
753	I	50.5	Low	60.8	Low	182 Å²	182	97.9 Å²	97.9	93%	0.933	50%	0.504	S	S	*	.			trans	-92.6	0	-179.7	-59.3	176.9	0	0	0	109	Q751	Q751-I753 PolarHBondContact O-N 3.46Å

Retrieved 753 of 753 residues in 3263.2 ms (Link to these results)

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