A0A3Q0KIW4_SCHMA Loading...

CUB domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KIW4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 650 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	42.4	Very low	43.3	Very low	238 Å²	238	158 Å²	158	100%	1.172	82%	0.824	S	S	*	*				0	115.7	0	-83.8	164.3	65.7	0	0	107.7	L3	M1-L3 PolarHBondContact O-N 3.44Å
2	M	40.2	Very low	43.2	Very low	157 Å²	157	153.9 Å²	153.9	77%	0.773	81%	0.81	S	S	*	*			trans	-63.6	124.7	173.8	-73.5	170	86	0	0	109.6	Y4	M2-Y4 HydrophobicContact CE-CD2 4.32Å; M2-Y4 HydrophobicContact CE-CE2 3.81Å; M2-Y4 HydrophobicContact CG-CE2 4.47Å
3	L	40	Very low	42.9	Very low	169 Å²	169	155.2 Å²	155.2	89%	0.885	81%	0.806	S	S	*	*			trans	-154.9	102.2	145.9	-101.1	129.1	0	0	0	106.6	M1	M1-L3 PolarHBondContact O-N 3.44Å
4	Y	45.2	Very low	42.4	Very low	192 Å²	192	154.2 Å²	154.2	75%	0.753	80%	0.802	S	S	*	*			trans	-69.5	137.4	-174.7	-87.8	-98.5	0	0	0	111.4	M2 L6	M2-Y4 HydrophobicContact CE-CD2 4.32Å; M2-Y4 HydrophobicContact CE-CE2 3.81Å; M2-Y4 HydrophobicContact CG-CE2 4.47Å; Y4-L6 PolarHBondContact O-N 3.3Å
5	H	42.3	Very low	42.1	Very low	192 Å²	192	151 Å²	151	89%	0.889	79%	0.791	S	S	*	*			trans	-61.2	113.3	170	-74.7	-79.9	0	0	0	111.1	A7	H5-A7 PolarHBondContact O-N 3.41Å
6	L	45.1	Very low	41.6	Very low	170 Å²	170	150.8 Å²	150.8	89%	0.89	79%	0.791	S	S	*	*			trans	-87.1	96.1	165.1	-103.2	137.9	0	0	0	108.4	Y4 V8	Y4-L6 PolarHBondContact O-N 3.3Å; L6-V8 PolarHBondContact O-N 3.03Å
7	A	48.1	Very low	41.4	Very low	89 Å²	89	152.2 Å²	152.2	74%	0.736	79%	0.79	S	S	*	*			trans	-76.1	115.2	165.6	0	0	0	0	0	108.5	H5 L9	H5-A7 PolarHBondContact O-N 3.41Å; A7-L9 PolarHBondContact O-N 3.31Å
8	V	47	Very low	41.1	Very low	126 Å²	126	153.8 Å²	153.8	76%	0.764	79%	0.793	S	S	*	*			trans	-72.7	106.7	178.1	174.7	0	0	0	0	108.7	L6 L10	L6-V8 PolarHBondContact O-N 3.03Å; V8-L10 PolarHBondContact O-N 3.03Å
9	L	42.5	Very low	41.1	Very low	154 Å²	154	151.6 Å²	151.6	81%	0.806	79%	0.787	S	S	*	*			trans	-84.2	107.5	172.1	-131.6	118.9	0	0	0	108.3	A7 V11	A7-L9 PolarHBondContact O-N 3.31Å; L9-V11 PolarHBondContact O-N 2.92Å; L9-V11 VanDerWaalsContact O-N 3.11Å
10	L	39.8	Very low	41.2	Very low	152 Å²	152	153.9 Å²	153.9	80%	0.796	79%	0.794	S	S	*	*			trans	-74.3	93.5	176.1	-122.4	134.8	0	0	0	108.7	V8 V12	V8-L10 PolarHBondContact O-N 3.03Å; L10-V12 PolarHBondContact O-N 3.21Å
11	V	43.8	Very low	41.8	Very low	99 Å²	99	149.5 Å²	149.5	60%	0.6	79%	0.787	S	S	*	*			trans	-78.6	103.2	171.2	177.6	0	0	0	0	107.8	L9 F13	L9-V11 PolarHBondContact O-N 2.92Å; L9-V11 VanDerWaalsContact O-N 3.11Å; V11-F13 HydrophobicContact CG1-CD2 4.28Å; V11-F13 HydrophobicContact CG1-CE2 4.26Å; V11-F13 PolarHBondContact O-N 3.04Å; V11-F13 VanDerWaalsContact O-N 3.09Å
12	V	42.1	Very low	43.3	Very low	109 Å²	109	144 Å²	144	66%	0.661	77%	0.767	S	S	*	*			trans	-69	101	169.5	178.3	0	0	0	0	107.4	L10 N14	L10-V12 PolarHBondContact O-N 3.21Å; V12-N14 PolarHBondContact O-N 3.39Å
13	F	39.1	Very low	45.5	Very low	171 Å²	171	137.5 Å²	137.5	75%	0.75	74%	0.736	S	S	*	*			trans	-66.3	99.6	166.1	-86.1	-93.4	0	0	0	108.3	V11 V15	V11-F13 HydrophobicContact CG1-CD2 4.28Å; V11-F13 HydrophobicContact CG1-CE2 4.26Å; V11-F13 PolarHBondContact O-N 3.04Å; V11-F13 VanDerWaalsContact O-N 3.09Å; F13-V15 HydrophobicContact CB-CG2 4.4Å; F13-V15 PolarHBondContact O-N 3.01Å
14	N	36.5	Very low	47.9	Very low	141 Å²	141	134.3 Å²	134.3	75%	0.754	72%	0.717	S	S	*	*			trans	-68.1	90.8	155.8	-80.5	-48.1	0	0	0	106.8	V12 N16	V12-N14 PolarHBondContact O-N 3.39Å; N14-N16 VanDerWaalsContact C-N 3.33Å; N14-N16 PolarHBondContact O-N 3.22Å
15	V	37.6	Very low	50	Low	106 Å²	106	125.2 Å²	125.2	64%	0.642	68%	0.681	S	S	*	*			trans	-66.6	100.1	164	179	0	0	0	0	105.6	F13 F17	F13-V15 HydrophobicContact CB-CG2 4.4Å; F13-V15 PolarHBondContact O-N 3.01Å; V15-F17 HydrophobicContact CG1-CD2 4.15Å; V15-F17 PolarHBondContact O-N 3.41Å
16	N	34.6	Very low	52.4	Low	148 Å²	148	117.8 Å²	117.8	79%	0.791	65%	0.65	S	S	*	*			trans	-60.4	97.2	158.1	-79.2	-20.4	0	0	0	106	N14 E18	N14-N16 VanDerWaalsContact C-N 3.33Å; N14-N16 PolarHBondContact O-N 3.22Å; N16-E18 PolarHBondContact O-N 2.94Å
17	F	37.4	Very low	54.5	Low	175 Å²	175	113.6 Å²	113.6	77%	0.768	64%	0.64	S	S	*	*			trans	-64.7	93.1	163.6	-127.4	-96	0	0	0	105.4	V15 T19	V15-F17 HydrophobicContact CG1-CD2 4.15Å; V15-F17 PolarHBondContact O-N 3.41Å; F17-T19 HydrophobicContact CD1-CG2 4.42Å; F17-T19 PolarHBondContact O-N 3.47Å
18	E	35.8	Very low	56.5	Low	181 Å²	181	112.5 Å²	112.5	85%	0.846	62%	0.619	S	S	*	*			trans	-60.8	93.2	152.6	-77.2	-179.6	170.3	0	0	104.9	N16 E20	N16-E18 PolarHBondContact O-N 2.94Å; E18-E20 PolarHBondContact O-N 3.35Å
19	T	40.7	Very low	58.7	Low	111 Å²	111	106.5 Å²	106.5	68%	0.681	58%	0.582	S	S	*	*			trans	-56.1	115.4	165.7	48.5	0	0	0	0	106	F17 G21	F17-T19 HydrophobicContact CD1-CG2 4.42Å; F17-T19 PolarHBondContact O-N 3.47Å; T19-G21 PolarHBondContact O-N 3.46Å
20	E	43.9	Very low	61.1	Low	198 Å²	198	101 Å²	101	93%	0.925	56%	0.555	S	S	*	*			trans	-55.1	85.6	160.5	-76.4	179.3	154.3	0	0	107	E18 T22	E18-E20 PolarHBondContact O-N 3.35Å; E20-T22 PolarHBondContact O-N 3.05Å; E20-T22 VanDerWaalsContact O-N 3.15Å
21	G	54.5	Low	63.6	Low	62 Å²	62	95 Å²	95	64%	0.639	52%	0.522	S	S	*	.			trans	-67.9	114	-177.4	0	0	0	0	0	108	T19 C23	T19-G21 PolarHBondContact O-N 3.46Å; G21-C23 PolarHBondContact O-N 3.27Å; G21-C23 VanDerWaalsContact O-N 3.16Å
22	T	73.8	Confident	66	Low	123 Å²	123	91.8 Å²	91.8	76%	0.755	50%	0.503	S	S	*	.			trans	-57.5	120.3	168.6	48.5	0	0	0	0	108.7	E20 E24	E20-T22 PolarHBondContact O-N 3.05Å; E20-T22 VanDerWaalsContact O-N 3.15Å; T22-E24 PolarHBondContact O-N 3.43Å
23	C	86.3	Confident	68.5	Low	20 Å²	20	86.6 Å²	86.6	14%	0.135	47%	0.472	C	S	.	.			trans	-63	95.4	175.9	-171.4	0	0	0	0	109.6	G21 C62 M64	G21-C23 PolarHBondContact O-N 3.27Å; G21-C23 VanDerWaalsContact O-N 3.16Å; C23-C62 HydrophobicContact CB-CB 3.65Å; C23-C62 WeakPolarHBondContact CB-SG 3.33Å; C23-C62 PolarHBondContact O-SG 2.91Å; C23-C62 VanDerWaalsContact SG-C 3.54Å; C23-C62 WeakPolarHBondContact SG-CB 3.42Å; C23-C62 CovalentContact SG-SG 2.03Å; C23-C62 PolarHBondContact SG-SG 3.23Å; C23-M64 VanDerWaalsContact SG-C 3.52Å; C23-M64 WeakPolarHBondContact SG-CA 3.2Å; C23-M64 PolarHBondContact SG-N 3.12Å
24	E	89.5	Confident	71.1	Confident	101 Å²	101	78.4 Å²	78.4	47%	0.472	44%	0.436	S	S	.	.			trans	-113.5	121.4	179.3	-170.9	172.6	-171	0	0	110.6	T22 K48	T22-E24 PolarHBondContact O-N 3.43Å; E24-K48 WeakPolarHBondContact CA-O 3.36Å; E24-K48 HydrophobicContact CG-CB 4.36Å; E24-K48 WeakPolarHBondContact OE1-CD 3.48Å; E24-K48 WeakPolarHBondContact OE1-CE 3.38Å; E24-K48 IonicContact OE1-NZ 3.76Å; E24-K48 PolarHBondContact OE1-NZ 2.61Å
25	I	90.5	Very high	73.8	Confident	2 Å²	2	71.7 Å²	71.7	1%	0.01	40%	0.4	C	S	.	.			trans	-76.8	133	-178.1	-64.4	159.4	0	0	0	109.5	V30 I46 L47 K48 Y82	I25-V30 HydrophobicContact CG2-CG2 4.27Å; I25-I46 HydrophobicContact CD1-CG2 4.23Å; I25-I46 HydrophobicContact CG2-CG2 4.21Å; I25-L47 VanDerWaalsContact CD1-O 3.3Å; I25-L47 WeakPolarHBondContact CD1-O 3.32Å; I25-K48 PolarHBondContact N-O 3.19Å; I25-Y82 HydrophobicContact CD1-CE1 4.12Å; I25-Y82 WeakPolarHBondContact CD1-OH 3.45Å
26	P	91.4	Very high	76.4	Confident	35 Å²	35	66.9 Å²	66.9	23%	0.227	37%	0.371	C	S	.	.			trans	-57.4	140.5	178.9	-24.3	32.4	0	0	0	112.5	K28 Y29 I78	P26-K28 HydrophobicContact CB-CG 4.38Å; P26-K28 PolarHBondContact O-N 3.42Å; P26-Y29 HydrophobicContact CB-CD2 4.05Å; P26-Y29 HydrophobicContact CB-CE2 4.42Å; P26-Y29 HydrophobicContact CG-CD2 4.23Å; P26-Y29 HydrophobicContact CG-CE2 4.4Å; P26-Y29 PolarHBondContact O-N 3.11Å; P26-I78 HydrophobicContact CG-CD1 4.03Å
27	A	90.1	Very high	79	Confident	83 Å²	83	59.9 Å²	59.9	69%	0.686	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-26.6	-173.7	0	0	0	0	0	114.4	Y29 V30	A27-Y29 VanDerWaalsContact C-N 3.26Å; A27-Y29 PolarHBondContact O-N 2.98Å; A27-V30 PolarHBondContact O-N 2.94Å
28	K	89.9	Confident	81.3	Confident	66 Å²	66	57.3 Å²	57.3	29%	0.287	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-27.3	177.8	67.1	-179.8	-176.2	177.7	0	113.9	P26 K31 E76 F97	P26-K28 HydrophobicContact CB-CG 4.38Å; P26-K28 PolarHBondContact O-N 3.42Å; K28-K31 WeakPolarHBondContact O-CE 3.49Å; K28-E76 IonicContact NZ-OE2 3.01Å; K28-E76 PolarHBondContact NZ-OE2 3.08Å; K28-F97 HydrophobicContact CB-CE2 4.27Å; K28-F97 HydrophobicContact CD-CD2 4.44Å
29	Y	92.3	Very high	83.7	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-18.4	178.6	-61	-77.5	0	0	0	113.3	P26 A27 K31 I46 I78 F95 F97 L103	P26-Y29 HydrophobicContact CB-CD2 4.05Å; P26-Y29 HydrophobicContact CB-CE2 4.42Å; P26-Y29 HydrophobicContact CG-CD2 4.23Å; P26-Y29 HydrophobicContact CG-CE2 4.4Å; P26-Y29 PolarHBondContact O-N 3.11Å; A27-Y29 VanDerWaalsContact C-N 3.26Å; A27-Y29 PolarHBondContact O-N 2.98Å; Y29-K31 PolarHBondContact O-N 2.98Å; Y29-I46 WeakPolarHBondContact O-CD1 3.31Å; Y29-I78 HydrophobicContact CD1-CG2 4.02Å; Y29-I78 HydrophobicContact CD2-CG2 3.75Å; Y29-I78 HydrophobicContact CE1-CG2 3.72Å; Y29-I78 HydrophobicContact CE2-CB 4.02Å; Y29-I78 HydrophobicContact CE2-CG2 3.43Å; Y29-I78 VanDerWaalsContact CE2-CG2 3.43Å; Y29-I78 HydrophobicContact CG-CG2 4.04Å; Y29-I78 VanDerWaalsContact CZ-CG2 3.42Å; Y29-F95 HydrophobicContact CD1-CB 3.79Å; Y29-F95 HydrophobicContact CE1-CB 3.91Å; Y29-F97 HydrophobicContact CE1-CB 3.89Å; Y29-L103 HydrophobicContact CD1-CD1 4.31Å; Y29-L103 HydrophobicContact CD1-CD2 4.24Å
30	V	92.7	Very high	86	Confident	37 Å²	37	52 Å²	52	22%	0.224	30%	0.304	C	S	.	.			trans	-70.2	94.4	-178.9	177.8	0	0	0	0	109.5	I25 A27 I46 K48	I25-V30 HydrophobicContact CG2-CG2 4.27Å; A27-V30 PolarHBondContact O-N 2.94Å; V30-I46 CarbonylContact C-O 3.57Å; V30-I46 WeakPolarHBondContact CA-O 3.26Å; V30-I46 WeakPolarHBondContact CG1-O 3.26Å; V30-K48 HydrophobicContact CG2-CG 4.3Å
31	K	93.2	Very high	88.3	Confident	26 Å²	26	47.2 Å²	47.2	11%	0.113	28%	0.282	C	S	.	.			trans	-152.6	156.5	-173.2	-64.7	178.9	175.6	-83.4	0	111	K28 Y29 L33 I46 P100 L103 V136 D141	K28-K31 WeakPolarHBondContact O-CE 3.49Å; Y29-K31 PolarHBondContact O-N 2.98Å; K31-L33 HydrophobicContact CB-CD2 4.16Å; K31-I46 PolarHBondContact N-O 2.88Å; K31-I46 PolarHBondContact O-N 2.76Å; K31-P100 WeakPolarHBondContact CE-O 3.42Å; K31-P100 PolarHBondContact NZ-O 3.14Å; K31-L103 HydrophobicContact CD-CD1 4.24Å; K31-V136 HydrophobicContact CB-CG2 4.36Å; K31-V136 HydrophobicContact CD-CG2 3.68Å; K31-V136 HydrophobicContact CG-CG2 4.41Å; K31-D141 WeakPolarHBondContact CA-OD2 3.45Å; K31-D141 HydrophobicContact CB-CB 4.44Å; K31-D141 HydrophobicContact CG-CB 4.24Å; K31-D141 PolarHBondContact NZ-O 2.77Å
32	T	94.4	Very high	90.1	Very high	32 Å²	32	44.2 Å²	44.2	20%	0.196	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	112.6	166	-58.1	0	0	0	0	110.7	Q45 R137 D141	T32-Q45 HydrophobicContact CG2-CG 3.8Å; T32-R137 HydrophobicContact CG2-CB 4.4Å; T32-R137 PolarHBondContact O-N 3.43Å; T32-D141 PolarHBondContact N-OD2 2.87Å
33	L	94.2	Very high	91	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	148.3	-177.7	-54.7	177.2	0	0	0	112.1	K31 T43 T44 I46 L103 Y105 F135 V136	K31-L33 HydrophobicContact CB-CD2 4.16Å; L33-T43 VanDerWaalsContact O-CA 3.29Å; L33-T43 WeakPolarHBondContact O-CA 3.35Å; L33-T44 PolarHBondContact N-O 3.12Å; L33-T44 PolarHBondContact O-N 2.82Å; L33-I46 HydrophobicContact CD1-CD1 3.82Å; L33-I46 HydrophobicContact CG-CD1 4.45Å; L33-L103 HydrophobicContact CD1-CB 3.9Å; L33-L103 HydrophobicContact CD1-CD1 4.03Å; L33-L103 HydrophobicContact CD1-CG 4.46Å; L33-L103 HydrophobicContact CD2-CB 4.37Å; L33-L103 HydrophobicContact CD2-CD1 4.21Å; L33-L103 HydrophobicContact CD2-CG 4.39Å; L33-Y105 HydrophobicContact CD1-CD1 4.21Å; L33-Y105 HydrophobicContact CD1-CE1 4.17Å; L33-F135 CarbonylContact C-O 3.53Å; L33-F135 VanDerWaalsContact CA-O 3.3Å; L33-F135 WeakPolarHBondContact CA-O 3.17Å; L33-V136 HydrophobicContact CD2-CG2 4.05Å
34	F	94.7	Very high	91.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	135.2	167.8	173.7	-98.1	0	0	0	109.8	I36 E41 T43 G134 F135 R137 L244 Y248	F34-I36 HydrophobicContact CE1-CG1 4.29Å; F34-I36 HydrophobicContact CZ-CG1 4.17Å; F34-E41 HydrophobicContact CE2-CB 3.92Å; F34-E41 HydrophobicContact CE2-CG 4.03Å; F34-E41 HydrophobicContact CZ-CB 4.4Å; F34-E41 HydrophobicContact CZ-CG 4.04Å; F34-T43 HydrophobicContact CD2-CG2 4.46Å; F34-G134 WeakPolarHBondContact O-CA 3.45Å; F34-F135 PolarHBondContact N-O 2.93Å; F34-F135 PolarHBondContact O-N 3.23Å; F34-R137 HydrophobicContact CB-CB 4.13Å; F34-L244 HydrophobicContact CD2-CB 4.18Å; F34-L244 HydrophobicContact CD2-CD1 4.14Å; F34-L244 HydrophobicContact CE1-CB 4.13Å; F34-L244 VanDerWaalsContact CE1-O 3.31Å; F34-L244 WeakPolarHBondContact CE1-O 3.46Å; F34-L244 HydrophobicContact CE2-CB 3.55Å; F34-L244 HydrophobicContact CE2-CD1 4.02Å; F34-L244 HydrophobicContact CE2-CG 4.39Å; F34-L244 HydrophobicContact CZ-CB 3.52Å; F34-Y248 HydrophobicContact CB-CE2 4.15Å; F34-Y248 AromaticContact CD1-CD2 3.52Å; F34-Y248 HydrophobicContact CD1-CD2 3.52Å; F34-Y248 AromaticContact CD1-CE2 3.46Å; F34-Y248 HydrophobicContact CD1-CE2 3.46Å; F34-Y248 VanDerWaalsContact CD1-CE2 3.46Å; F34-Y248 AromaticContact CE1-CD2 3.96Å; F34-Y248 HydrophobicContact CE1-CD2 3.96Å; F34-Y248 HydrophobicContact CE1-CE2 4.16Å; F34-Y248 HydrophobicContact CG-CE2 4.06Å
35	S	93.3	Very high	91.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	163.7	177	57.2	0	0	0	0	109.9	E37 T42 Y105 T133	S35-E37 PolarHBondContact OG-OE1 3.25Å; S35-T42 PolarHBondContact N-O 3.18Å; S35-T42 PolarHBondContact O-N 3.28Å; S35-Y105 WeakPolarHBondContact CB-OH 3.44Å; S35-Y105 PolarHBondContact OG-OH 2.77Å; S35-T133 WeakPolarHBondContact CB-O 3.32Å
36	I	91.7	Very high	91.6	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.026	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	109.7	170.3	-64	177.1	0	0	0	107.3	F34 K40 R245 N271 D273	F34-I36 HydrophobicContact CE1-CG1 4.29Å; F34-I36 HydrophobicContact CZ-CG1 4.17Å; I36-K40 WeakPolarHBondContact CA-O 3.31Å; I36-R245 HydrophobicContact CD1-CB 4.46Å; I36-R245 HydrophobicContact CD1-CG 4.11Å; I36-N271 HydrophobicContact CD1-CB 4.32Å; I36-D273 HydrophobicContact CB-CB 4.18Å; I36-D273 HydrophobicContact CG2-CB 4.32Å
37	E	88.9	Confident	91.7	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	123	-179.2	-62.5	-174.1	-150	0	0	108.8	S35 G39 K40 Q53 L55 Y105 R107 E132	S35-E37 PolarHBondContact OG-OE1 3.25Å; E37-G39 PolarHBondContact O-N 3.2Å; E37-G39 VanDerWaalsContact O-N 3.16Å; E37-K40 PolarHBondContact N-O 3.2Å; E37-K40 PolarHBondContact O-N 3.16Å; E37-Q53 PolarHBondContact OE1-NE2 2.98Å; E37-Q53 PolarHBondContact OE2-NE2 2.94Å; E37-L55 HydrophobicContact CB-CD2 3.91Å; E37-L55 VanDerWaalsContact OE2-CD2 3.23Å; E37-L55 WeakPolarHBondContact OE2-CD2 3.41Å; E37-Y105 WeakPolarHBondContact OE1-CE2 3.33Å; E37-Y105 PolarHBondContact OE1-OH 3.42Å; E37-R107 IonicContact OE2-CZ 2.75Å; E37-R107 VanDerWaalsContact OE2-CZ 3.26Å; E37-R107 IonicContact OE2-NE 3.75Å; E37-R107 PolarHBondContact OE2-NE 2.97Å; E37-R107 IonicContact OE2-NH2 2.92Å; E37-R107 PolarHBondContact OE2-NH2 2.85Å; E37-E132 HydrophobicContact CG-CG 4.1Å
38	N	85.7	Confident	91.7	Very high	122 Å²	122	40.7 Å²	40.7	65%	0.652	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.1	39.2	-177.6	-60.6	-23.7	0	0	0	113.5	K40	N38-K40 PolarHBondContact O-N 3.29Å
39	G	85.3	Confident	91.8	Very high	43 Å²	43	40.3 Å²	40.3	44%	0.443	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	-1.2	-179.3	0	0	0	0	0	115.7	E37 R245	E37-G39 PolarHBondContact O-N 3.2Å; E37-G39 VanDerWaalsContact O-N 3.16Å; G39-R245 PolarHBondContact O-NH2 2.79Å; G39-R245 VanDerWaalsContact O-NH2 3.12Å
40	K	90.3	Very high	91.8	Very high	138 Å²	138	43.8 Å²	43.8	60%	0.6	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	141.3	177.3	-65.8	-178.7	-179.5	177.5	0	110.9	I36 E37 N38 T42 L55	I36-K40 WeakPolarHBondContact CA-O 3.31Å; E37-K40 PolarHBondContact N-O 3.2Å; E37-K40 PolarHBondContact O-N 3.16Å; N38-K40 PolarHBondContact O-N 3.29Å; K40-T42 PolarHBondContact O-N 3.1Å; K40-L55 HydrophobicContact CB-CD1 4.4Å; K40-L55 HydrophobicContact CD-CD1 4.2Å
41	E	91.6	Very high	91.8	Very high	96 Å²	96	42 Å²	42	45%	0.449	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	120.1	172.7	-69.9	-174	-170.9	0	0	109.8	F34 R245	F34-E41 HydrophobicContact CE2-CB 3.92Å; F34-E41 HydrophobicContact CE2-CG 4.03Å; F34-E41 HydrophobicContact CZ-CB 4.4Å; F34-E41 HydrophobicContact CZ-CG 4.04Å; E41-R245 WeakPolarHBondContact OE1-CB 3.46Å
42	T	92.4	Very high	91.8	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	137.6	-175.5	-61.1	0	0	0	0	109.5	S35 K40 Q53 L55	S35-T42 PolarHBondContact N-O 3.18Å; S35-T42 PolarHBondContact O-N 3.28Å; K40-T42 PolarHBondContact O-N 3.1Å; T42-Q53 HydrophobicContact CG2-CG 3.6Å; T42-L55 HydrophobicContact CG2-CB 3.67Å
43	T	93.1	Very high	91.6	Very high	23 Å²	23	41.7 Å²	41.7	14%	0.141	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	134.8	167.9	72.7	0	0	0	0	109.7	L33 F34 Q53 T54	L33-T43 VanDerWaalsContact O-CA 3.29Å; L33-T43 WeakPolarHBondContact O-CA 3.35Å; F34-T43 HydrophobicContact CD2-CG2 4.46Å; T43-Q53 WeakPolarHBondContact O-CA 3.47Å; T43-T54 PolarHBondContact O-N 3.38Å; T43-T54 PolarHBondContact O-OG1 3.39Å; T43-T54 PolarHBondContact OG1-OG1 3.01Å
44	T	93.2	Very high	91.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	109.6	-179.6	-51.2	0	0	0	0	107.3	L33 I46 L51 I52 Y105	L33-T44 PolarHBondContact N-O 3.12Å; L33-T44 PolarHBondContact O-N 2.82Å; T44-I46 HydrophobicContact CG2-CG1 4.3Å; T44-L51 HydrophobicContact CG2-CD1 4.13Å; T44-L51 HydrophobicContact CG2-CD2 4.46Å; T44-L51 HydrophobicContact CG2-CG 4.27Å; T44-I52 WeakPolarHBondContact CA-O 3.26Å; T44-Y105 PolarHBondContact OG1-OH 2.66Å
45	Q	93.3	Very high	90.6	Very high	73 Å²	73	46.6 Å²	46.6	34%	0.341	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	113.4	175.7	-67	178.3	-2	0	0	108.6	T32 L51 I52	T32-Q45 HydrophobicContact CG2-CG 3.8Å; Q45-L51 WeakPolarHBondContact O-CA 3.45Å; Q45-I52 HydrophobicContact CB-CB 4.27Å; Q45-I52 PolarHBondContact N-O 2.71Å; Q45-I52 PolarHBondContact O-N 2.78Å
46	I	92.7	Very high	90	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.015	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	106.8	176.7	-54.1	167.7	0	0	0	106.5	I25 Y29 V30 K31 L33 T44 L51 F95 L103	I25-I46 HydrophobicContact CD1-CG2 4.23Å; I25-I46 HydrophobicContact CG2-CG2 4.21Å; Y29-I46 WeakPolarHBondContact O-CD1 3.31Å; V30-I46 CarbonylContact C-O 3.57Å; V30-I46 WeakPolarHBondContact CA-O 3.26Å; V30-I46 WeakPolarHBondContact CG1-O 3.26Å; K31-I46 PolarHBondContact N-O 2.88Å; K31-I46 PolarHBondContact O-N 2.76Å; L33-I46 HydrophobicContact CD1-CD1 3.82Å; L33-I46 HydrophobicContact CG-CD1 4.45Å; T44-I46 HydrophobicContact CG2-CG1 4.3Å; I46-L51 HydrophobicContact CG1-CD1 4.37Å; I46-F95 HydrophobicContact CD1-CD1 3.86Å; I46-F95 HydrophobicContact CD1-CE1 3.4Å; I46-F95 HydrophobicContact CD1-CZ 3.85Å; I46-F95 HydrophobicContact CG1-CE1 4.11Å; I46-F95 HydrophobicContact CG1-CZ 4.14Å; I46-L103 HydrophobicContact CD1-CD1 4.42Å
47	L	92.8	Very high	89.5	Confident	71 Å²	71	57.2 Å²	57.2	37%	0.372	31%	0.305	S	S	.	.			trans	-95.5	174.7	173.8	-58.9	172.8	0	0	0	109.2	I25 S49 Q50 I52	I25-L47 VanDerWaalsContact CD1-O 3.3Å; I25-L47 WeakPolarHBondContact CD1-O 3.32Å; L47-S49 VanDerWaalsContact C-N 3.27Å; L47-S49 PolarHBondContact O-N 2.92Å; L47-Q50 WeakPolarHBondContact CA-O 3.48Å; L47-Q50 HydrophobicContact CB-CB 4.26Å; L47-Q50 WeakPolarHBondContact CB-O 3.33Å; L47-Q50 HydrophobicContact CD1-CB 4.19Å; L47-Q50 PolarHBondContact N-O 3.12Å; L47-I52 HydrophobicContact CD1-CD1 4.13Å
48	K	91.1	Very high	89.4	Confident	120 Å²	120	58 Å²	58	52%	0.522	31%	0.309	S	S	.	.	S	Bend	trans	-57.7	-35.9	-179.8	-76	-178	161.1	-137.1	0	114.4	E24 I25 V30	E24-K48 WeakPolarHBondContact CA-O 3.36Å; E24-K48 HydrophobicContact CG-CB 4.36Å; E24-K48 WeakPolarHBondContact OE1-CD 3.48Å; E24-K48 WeakPolarHBondContact OE1-CE 3.38Å; E24-K48 IonicContact OE1-NZ 3.76Å; E24-K48 PolarHBondContact OE1-NZ 2.61Å; I25-K48 PolarHBondContact N-O 3.19Å; V30-K48 HydrophobicContact CG2-CG 4.3Å
49	S	90.9	Very high	89.6	Confident	58 Å²	58	58.7 Å²	58.7	41%	0.406	30%	0.303	S	S	.	.	S	Bend	trans	-132.5	3.7	-175.6	58.2	0	0	0	0	113.4	L47 C62	L47-S49 VanDerWaalsContact C-N 3.27Å; L47-S49 PolarHBondContact O-N 2.92Å; S49-C62 VanDerWaalsContact O-CB 3.29Å; S49-C62 WeakPolarHBondContact O-CB 3.48Å; S49-C62 PolarHBondContact O-N 3.1Å
50	Q	92.8	Very high	89.9	Confident	72 Å²	72	56.7 Å²	56.7	34%	0.336	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	150.9	-173.3	-66.7	179.3	-5.4	0	0	110.8	L47 G60	L47-Q50 WeakPolarHBondContact CA-O 3.48Å; L47-Q50 HydrophobicContact CB-CB 4.26Å; L47-Q50 WeakPolarHBondContact CB-O 3.33Å; L47-Q50 HydrophobicContact CD1-CB 4.19Å; L47-Q50 PolarHBondContact N-O 3.12Å; Q50-G60 CarbonylContact C-O 3.55Å; Q50-G60 VanDerWaalsContact CA-O 3.28Å; Q50-G60 WeakPolarHBondContact CA-O 3.17Å
51	L	92.7	Very high	89.9	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	127.7	171.7	-178.3	142.8	0	0	0	109.7	T44 Q45 I46 Q53 G60 Y82 F91 Y93 F95	T44-L51 HydrophobicContact CG2-CD1 4.13Å; T44-L51 HydrophobicContact CG2-CD2 4.46Å; T44-L51 HydrophobicContact CG2-CG 4.27Å; Q45-L51 WeakPolarHBondContact O-CA 3.45Å; I46-L51 HydrophobicContact CG1-CD1 4.37Å; L51-Q53 HydrophobicContact CD2-CB 4.35Å; L51-G60 PolarHBondContact N-O 3.24Å; L51-G60 PolarHBondContact O-N 2.92Å; L51-Y82 HydrophobicContact CB-CD1 3.91Å; L51-Y82 HydrophobicContact CB-CE1 3.48Å; L51-Y82 VanDerWaalsContact CB-CE1 3.48Å; L51-Y82 HydrophobicContact CB-CE2 4.24Å; L51-Y82 HydrophobicContact CB-CG 4.46Å; L51-Y82 HydrophobicContact CD1-CE2 3.96Å; L51-F91 HydrophobicContact CD2-CE2 4.14Å; L51-F91 HydrophobicContact CD2-CZ 4.46Å; L51-Y93 HydrophobicContact CD1-CD1 4.22Å; L51-Y93 HydrophobicContact CD1-CD2 4.01Å; L51-Y93 HydrophobicContact CD1-CE1 4.19Å; L51-Y93 HydrophobicContact CD1-CE2 4Å; L51-Y93 HydrophobicContact CD1-CG 4.12Å; L51-Y93 HydrophobicContact CD2-CE2 3.82Å; L51-F95 HydrophobicContact CD1-CE1 4.42Å; L51-F95 HydrophobicContact CD1-CE2 4.47Å; L51-F95 HydrophobicContact CD1-CZ 3.58Å
52	I	92.5	Very high	90	Very high	48 Å²	48	48.5 Å²	48.5	25%	0.246	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	120.9	179.6	-60.1	169.9	0	0	0	107.8	T44 Q45 L47	T44-I52 WeakPolarHBondContact CA-O 3.26Å; Q45-I52 HydrophobicContact CB-CB 4.27Å; Q45-I52 PolarHBondContact N-O 2.71Å; Q45-I52 PolarHBondContact O-N 2.78Å; L47-I52 HydrophobicContact CD1-CD1 4.13Å
53	Q	89.9	Confident	89.8	Confident	4 Å²	4	52.5 Å²	52.5	2%	0.019	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136	176.2	-161.9	-178.9	26.9	0	0	110.7	E37 T42 T43 L51 L55 L58 Y93	E37-Q53 PolarHBondContact OE1-NE2 2.98Å; E37-Q53 PolarHBondContact OE2-NE2 2.94Å; T42-Q53 HydrophobicContact CG2-CG 3.6Å; T43-Q53 WeakPolarHBondContact O-CA 3.47Å; L51-Q53 HydrophobicContact CD2-CB 4.35Å; Q53-L55 VanDerWaalsContact C-N 3.34Å; Q53-L55 HydrophobicContact CG-CB 4.15Å; Q53-L58 HydrophobicContact CB-CB 4.27Å; Q53-L58 PolarHBondContact N-O 2.66Å; Q53-L58 PolarHBondContact O-N 3.31Å; Q53-Y93 VanDerWaalsContact CD-OH 3.27Å; Q53-Y93 PolarHBondContact OE1-OH 3.37Å
54	T	86.9	Confident	89.7	Confident	81 Å²	81	54.7 Å²	54.7	50%	0.497	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-34.5	177.2	-45	0	0	0	0	112	T43 E56 S57	T43-T54 PolarHBondContact O-N 3.38Å; T43-T54 PolarHBondContact O-OG1 3.39Å; T43-T54 PolarHBondContact OG1-OG1 3.01Å; T54-E56 PolarHBondContact O-N 3.01Å; T54-S57 PolarHBondContact O-N 3.23Å
55	L	82.5	Confident	89.6	Confident	22 Å²	22	57.4 Å²	57.4	12%	0.115	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-63.8	127.2	175.2	-167.9	71.3	0	0	0	109.2	E37 K40 T42 Q53 S57 L58 R107	E37-L55 HydrophobicContact CB-CD2 3.91Å; E37-L55 VanDerWaalsContact OE2-CD2 3.23Å; E37-L55 WeakPolarHBondContact OE2-CD2 3.41Å; K40-L55 HydrophobicContact CB-CD1 4.4Å; K40-L55 HydrophobicContact CD-CD1 4.2Å; T42-L55 HydrophobicContact CG2-CB 3.67Å; Q53-L55 VanDerWaalsContact C-N 3.34Å; Q53-L55 HydrophobicContact CG-CB 4.15Å; L55-S57 PolarHBondContact O-N 3.07Å; L55-L58 PolarHBondContact O-N 2.88Å; L55-R107 VanDerWaalsContact CD2-NH2 3.3Å
56	E	79.4	Confident	89.3	Confident	147 Å²	147	56.4 Å²	56.4	69%	0.687	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	58.7	7.8	-176	-60.8	177.4	-172.4	0	0	115.6	T54 L58	T54-E56 PolarHBondContact O-N 3.01Å; E56-L58 PolarHBondContact O-N 2.8Å
57	S	82.3	Confident	89	Confident	80 Å²	80	58.3 Å²	58.3	56%	0.559	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	50.6	44.7	-172.5	-56.8	0	0	0	0	112.3	T54 L55 W59	T54-S57 PolarHBondContact O-N 3.23Å; L55-S57 PolarHBondContact O-N 3.07Å; S57-W59 PolarHBondContact O-N 3.04Å
58	L	85.3	Confident	88.8	Confident	18 Å²	18	59.3 Å²	59.3	9%	0.094	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	115.3	-176.1	-173.4	76.6	0	0	0	110.9	Q53 L55 E56 F91 Y93	Q53-L58 HydrophobicContact CB-CB 4.27Å; Q53-L58 PolarHBondContact N-O 2.66Å; Q53-L58 PolarHBondContact O-N 3.31Å; L55-L58 PolarHBondContact O-N 2.88Å; E56-L58 PolarHBondContact O-N 2.8Å; L58-F91 HydrophobicContact CD1-CD1 3.95Å; L58-F91 HydrophobicContact CD1-CE1 3.69Å; L58-F91 HydrophobicContact CD1-CZ 4.14Å; L58-F91 HydrophobicContact CD2-CD1 4.25Å; L58-F91 HydrophobicContact CD2-CD2 3.91Å; L58-F91 HydrophobicContact CD2-CE1 3.94Å; L58-F91 HydrophobicContact CD2-CE2 3.6Å; L58-F91 HydrophobicContact CD2-CG 4.21Å; L58-F91 HydrophobicContact CD2-CZ 3.58Å; L58-F91 HydrophobicContact CG-CD1 4.39Å; L58-F91 HydrophobicContact CG-CE1 3.8Å; L58-F91 HydrophobicContact CG-CE2 4.26Å; L58-F91 HydrophobicContact CG-CZ 3.71Å; L58-Y93 HydrophobicContact CD2-CE2 4.39Å
59	W	90.1	Very high	88.5	Confident	135 Å²	135	56.6 Å²	56.6	51%	0.511	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	117.6	176.2	-60.8	-2.4	0	0	0	109.6	S57 N84 M85	S57-W59 PolarHBondContact O-N 3.04Å; W59-N84 WeakPolarHBondContact O-CA 3.1Å; W59-N84 PolarHBondContact O-OD1 3.38Å; W59-M85 PolarHBondContact O-N 3.21Å
60	G	91.1	Very high	87.7	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	142.7	-178.9	0	0	0	0	0	113.4	Q50 L51 K83	Q50-G60 CarbonylContact C-O 3.55Å; Q50-G60 VanDerWaalsContact CA-O 3.28Å; Q50-G60 WeakPolarHBondContact CA-O 3.17Å; L51-G60 PolarHBondContact N-O 3.24Å; L51-G60 PolarHBondContact O-N 2.92Å; G60-K83 CarbonylContact C-O 3.54Å; G60-K83 VanDerWaalsContact CA-O 3.25Å; G60-K83 WeakPolarHBondContact CA-O 3.43Å
61	S	92.3	Very high	86.4	Confident	48 Å²	48	60.1 Å²	60.1	34%	0.336	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	137.1	166.7	-171.9	0	0	0	0	109.5	H63 Y82 K83	S61-H63 PolarHBondContact O-N 3.21Å; S61-Y82 WeakPolarHBondContact O-CA 3.2Å; S61-K83 PolarHBondContact N-O 3.29Å; S61-K83 PolarHBondContact O-N 3.49Å
62	C	92.4	Very high	84.8	Confident	14 Å²	14	64 Å²	64	10%	0.095	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	120.3	176.6	-161.6	0	0	0	0	108.8	C23 S49 Y82	C23-C62 HydrophobicContact CB-CB 3.65Å; C23-C62 WeakPolarHBondContact CB-SG 3.33Å; C23-C62 PolarHBondContact O-SG 2.91Å; C23-C62 VanDerWaalsContact SG-C 3.54Å; C23-C62 WeakPolarHBondContact SG-CB 3.42Å; C23-C62 CovalentContact SG-SG 2.03Å; C23-C62 PolarHBondContact SG-SG 3.23Å; S49-C62 VanDerWaalsContact O-CB 3.29Å; S49-C62 WeakPolarHBondContact O-CB 3.48Å; S49-C62 PolarHBondContact O-N 3.1Å; C62-Y82 HydrophobicContact CB-CD1 4.49Å; C62-Y82 HydrophobicContact CB-CE1 4.29Å
63	H	89.4	Confident	83.1	Confident	85 Å²	85	67.2 Å²	67.2	39%	0.394	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-53.7	177.7	-176.6	-93	0	0	0	110.4	S61 L81 F90	S61-H63 PolarHBondContact O-N 3.21Å; H63-L81 HydrophobicContact CB-CG 4.44Å; H63-L81 WeakPolarHBondContact CB-O 3.43Å; H63-L81 PolarHBondContact N-O 3.42Å; H63-F90 AromaticContact CD2-CE1 3.77Å
64	M	90.6	Very high	82	Confident	68 Å²	68	71.8 Å²	71.8	34%	0.335	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	154.4	176.3	62.5	-177	-72.1	0	0	111.3	C23 V66 L81	C23-M64 VanDerWaalsContact SG-C 3.52Å; C23-M64 WeakPolarHBondContact SG-CA 3.2Å; C23-M64 PolarHBondContact SG-N 3.12Å; M64-V66 HydrophobicContact CE-CG2 4.21Å; M64-V66 HydrophobicContact CG-CG2 4.19Å; M64-L81 HydrophobicContact CG-CB 3.86Å; M64-L81 HydrophobicContact CG-CD2 3.91Å; M64-L81 HydrophobicContact CG-CG 4.49Å; M64-L81 PolarHBondContact N-O 3.22Å; M64-L81 PolarHBondContact O-N 2.92Å; M64-L81 HydrophobicContact SD-CD2 4.04Å
65	I	90	Very high	81.6	Confident	58 Å²	58	69.3 Å²	69.3	30%	0.297	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	117.4	166.1	-61.7	167.7	0	0	0	106.7	E68 I78 V80	I65-E68 HydrophobicContact CG2-CB 4.4Å; I65-I78 HydrophobicContact CD1-CD1 4.17Å; I65-I78 HydrophobicContact CG1-CD1 4.32Å; I65-I78 HydrophobicContact CG2-CD1 3.91Å; I65-I78 HydrophobicContact CG2-CG1 3.8Å; I65-V80 HydrophobicContact CG1-CG2 4.48Å
66	V	87.3	Confident	81.8	Confident	52 Å²	52	70.7 Å²	70.7	32%	0.315	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-40	-174.7	179.4	0	0	0	0	111	M64 V79 L81	M64-V66 HydrophobicContact CE-CG2 4.21Å; M64-V66 HydrophobicContact CG-CG2 4.19Å; V66-V79 HydrophobicContact CB-CB 4.29Å; V66-V79 HydrophobicContact CB-CG1 4.05Å; V66-V79 PolarHBondContact N-O 3.07Å; V66-L81 HydrophobicContact CG2-CB 3.95Å
67	S	87.3	Confident	82.4	Confident	42 Å²	42	65.1 Å²	65.1	29%	0.294	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	147.8	174.1	62.2	0	0	0	0	110.9	I78 V79	S67-I78 WeakPolarHBondContact O-CA 3.34Å; S67-V79 PolarHBondContact N-O 3.45Å; S67-V79 PolarHBondContact O-N 3.48Å; S67-V79 WeakPolarHBondContact OG-CB 3.04Å; S67-V79 VanDerWaalsContact OG-CG2 3.22Å; S67-V79 WeakPolarHBondContact OG-CG2 3.35Å
68	E	87.6	Confident	82.9	Confident	93 Å²	93	61.3 Å²	61.3	44%	0.435	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	112.1	173	-174.5	-179.9	-171.6	0	0	108.4	I65 T70 I78	I65-E68 HydrophobicContact CG2-CB 4.4Å; E68-T70 HydrophobicContact CG-CG2 4.09Å; E68-I78 HydrophobicContact CB-CG1 4.35Å; E68-I78 HydrophobicContact CG-CD1 4.49Å; E68-I78 HydrophobicContact CG-CG1 4.39Å
69	N	85	Confident	83.3	Confident	62 Å²	62	61.1 Å²	61.1	33%	0.332	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	118.7	175.1	-55.2	-38	0	0	0	109.3	E76 D77	N69-E76 WeakPolarHBondContact O-CA 3.08Å; N69-D77 WeakPolarHBondContact CB-OD1 3.41Å; N69-D77 PolarHBondContact N-O 3.42Å; N69-D77 PolarHBondContact ND2-OD1 3.2Å; N69-D77 PolarHBondContact O-N 2.95Å
70	T	75.3	Confident	83.4	Confident	84 Å²	84	54.7 Å²	54.7	52%	0.515	32%	0.318	S	S	.	.	S	Bend	trans	-102.9	-8.4	-174.8	50.2	0	0	0	0	114.9	E68	E68-T70 HydrophobicContact CG-CG2 4.09Å
71	N	65.3	Low	83.5	Confident	120 Å²	120	54.7 Å²	54.7	64%	0.642	32%	0.318	S	S	*	.	S	Bend	trans	176.5	34.7	169.3	-95.2	-29.8	0	0	0	116.7
72	S	57.9	Low	83.5	Confident	82 Å²	82	52.4 Å²	52.4	57%	0.573	30%	0.302	S	S	*	.	S	Bend	trans	-75.2	-40.4	-177.8	56.9	0	0	0	0	114.2
73	D	56.4	Low	83.4	Confident	116 Å²	116	55.9 Å²	55.9	62%	0.62	32%	0.315	S	S	*	.	S	Bend	trans	-134.8	36.5	-169.2	-70.3	-41.1	0	0	0	113.8	V75	D73-V75 PolarHBondContact O-N 2.87Å
74	A	67.9	Low	83.5	Confident	100 Å²	100	52.2 Å²	52.2	83%	0.826	30%	0.299	S	S	*	.	S	Bend	trans	58.2	13.3	-176	0	0	0	0	0	115.2
75	V	77.6	Confident	83.3	Confident	29 Å²	29	54.8 Å²	54.8	18%	0.176	31%	0.311	C	S	.	.			trans	-126	120	174.7	-177.3	0	0	0	0	107.3	D73 I96	D73-V75 PolarHBondContact O-N 2.87Å; V75-I96 HydrophobicContact CG1-CG2 3.58Å
76	E	88.3	Confident	83.1	Confident	50 Å²	50	56.4 Å²	56.4	23%	0.234	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	118	173	-67.8	-177.3	-164.7	0	0	109.2	K28 N69 F97	K28-E76 IonicContact NZ-OE2 3.01Å; K28-E76 PolarHBondContact NZ-OE2 3.08Å; N69-E76 WeakPolarHBondContact O-CA 3.08Å; E76-F97 HydrophobicContact CB-CB 4.17Å; E76-F97 PolarHBondContact O-N 3.08Å
77	D	91.4	Very high	82.9	Confident	30 Å²	30	60 Å²	60	16%	0.16	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	152.4	179.6	68.3	-30.3	0	0	0	113.1	N69 F95 I96	N69-D77 WeakPolarHBondContact CB-OD1 3.41Å; N69-D77 PolarHBondContact N-O 3.42Å; N69-D77 PolarHBondContact ND2-OD1 3.2Å; N69-D77 PolarHBondContact O-N 2.95Å; D77-F95 CarbonylContact C-O 3.06Å; D77-F95 WeakPolarHBondContact CA-O 3.45Å; D77-I96 HydrophobicContact CB-CG1 4.18Å
78	I	92.7	Very high	82.8	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	127.2	174.5	-171.4	177	0	0	0	109.5	P26 Y29 I65 S67 E68 V80 F95	P26-I78 HydrophobicContact CG-CD1 4.03Å; Y29-I78 HydrophobicContact CD1-CG2 4.02Å; Y29-I78 HydrophobicContact CD2-CG2 3.75Å; Y29-I78 HydrophobicContact CE1-CG2 3.72Å; Y29-I78 HydrophobicContact CE2-CB 4.02Å; Y29-I78 HydrophobicContact CE2-CG2 3.43Å; Y29-I78 VanDerWaalsContact CE2-CG2 3.43Å; Y29-I78 HydrophobicContact CG-CG2 4.04Å; Y29-I78 VanDerWaalsContact CZ-CG2 3.42Å; I65-I78 HydrophobicContact CD1-CD1 4.17Å; I65-I78 HydrophobicContact CG1-CD1 4.32Å; I65-I78 HydrophobicContact CG2-CD1 3.91Å; I65-I78 HydrophobicContact CG2-CG1 3.8Å; S67-I78 WeakPolarHBondContact O-CA 3.34Å; E68-I78 HydrophobicContact CB-CG1 4.35Å; E68-I78 HydrophobicContact CG-CD1 4.49Å; E68-I78 HydrophobicContact CG-CG1 4.39Å; I78-V80 HydrophobicContact CD1-CG2 4.02Å; I78-V80 HydrophobicContact CG1-CG2 3.9Å; I78-V80 HydrophobicContact CG2-CG2 4.47Å; I78-F95 HydrophobicContact CG2-CB 3.82Å; I78-F95 HydrophobicContact CG2-CD2 4.11Å; I78-F95 HydrophobicContact CG2-CG 4.47Å; I78-F95 PolarHBondContact N-O 3.34Å; I78-F95 PolarHBondContact O-N 2.71Å
79	V	92.7	Very high	82.9	Confident	15 Å²	15	58.9 Å²	58.9	9%	0.091	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	118.4	175.7	-176.4	0	0	0	0	108.7	V66 S67 Y93 D94 C123 L126	V66-V79 HydrophobicContact CB-CB 4.29Å; V66-V79 HydrophobicContact CB-CG1 4.05Å; V66-V79 PolarHBondContact N-O 3.07Å; S67-V79 PolarHBondContact N-O 3.45Å; S67-V79 PolarHBondContact O-N 3.48Å; S67-V79 WeakPolarHBondContact OG-CB 3.04Å; S67-V79 VanDerWaalsContact OG-CG2 3.22Å; S67-V79 WeakPolarHBondContact OG-CG2 3.35Å; V79-Y93 CarbonylContact C-O 3.54Å; V79-Y93 VanDerWaalsContact CA-O 3.31Å; V79-Y93 WeakPolarHBondContact CA-O 3.02Å; V79-D94 HydrophobicContact CG2-CB 4.16Å; V79-C123 HydrophobicContact CG1-CB 4.1Å; V79-L126 HydrophobicContact CG1-CD1 3.75Å
80	V	92.9	Very high	83.2	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.3	-176.6	-173	0	0	0	0	109.6	I65 I78 Y82 C92 Y93 F95	I65-V80 HydrophobicContact CG1-CG2 4.48Å; I78-V80 HydrophobicContact CD1-CG2 4.02Å; I78-V80 HydrophobicContact CG1-CG2 3.9Å; I78-V80 HydrophobicContact CG2-CG2 4.47Å; V80-Y82 HydrophobicContact CB-CD2 4.35Å; V80-Y82 HydrophobicContact CB-CE2 3.7Å; V80-Y82 HydrophobicContact CG1-CD2 4.01Å; V80-Y82 HydrophobicContact CG1-CE1 4.2Å; V80-Y82 HydrophobicContact CG1-CE2 3.51Å; V80-C92 WeakPolarHBondContact O-CA 3.48Å; V80-Y93 PolarHBondContact N-O 3.47Å; V80-Y93 PolarHBondContact O-N 2.97Å; V80-F95 HydrophobicContact CG2-CD2 4.39Å; V80-F95 HydrophobicContact CG2-CE2 4.44Å
81	L	92.5	Very high	83.9	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	125	171.8	-178.7	71.1	0	0	0	109.1	H63 M64 V66 F90 C92 E119	H63-L81 HydrophobicContact CB-CG 4.44Å; H63-L81 WeakPolarHBondContact CB-O 3.43Å; H63-L81 PolarHBondContact N-O 3.42Å; M64-L81 HydrophobicContact CG-CB 3.86Å; M64-L81 HydrophobicContact CG-CD2 3.91Å; M64-L81 HydrophobicContact CG-CG 4.49Å; M64-L81 PolarHBondContact N-O 3.22Å; M64-L81 PolarHBondContact O-N 2.92Å; M64-L81 HydrophobicContact SD-CD2 4.04Å; V66-L81 HydrophobicContact CG2-CB 3.95Å; L81-F90 HydrophobicContact CD1-CB 4.03Å; L81-F90 HydrophobicContact CD2-CD1 4.31Å; L81-F90 HydrophobicContact CG-CD1 4.31Å; L81-C92 WeakPolarHBondContact CD1-SG 3.17Å; L81-E119 HydrophobicContact CD2-CB 3.79Å
82	Y	92.5	Very high	85.2	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	141.4	175.8	-67.2	-90.1	0	0	0	110.9	I25 L51 S61 C62 V80 F90 F91 Y93 F95	I25-Y82 HydrophobicContact CD1-CE1 4.12Å; I25-Y82 WeakPolarHBondContact CD1-OH 3.45Å; L51-Y82 HydrophobicContact CB-CD1 3.91Å; L51-Y82 HydrophobicContact CB-CE1 3.48Å; L51-Y82 VanDerWaalsContact CB-CE1 3.48Å; L51-Y82 HydrophobicContact CB-CE2 4.24Å; L51-Y82 HydrophobicContact CB-CG 4.46Å; L51-Y82 HydrophobicContact CD1-CE2 3.96Å; S61-Y82 WeakPolarHBondContact O-CA 3.2Å; C62-Y82 HydrophobicContact CB-CD1 4.49Å; C62-Y82 HydrophobicContact CB-CE1 4.29Å; V80-Y82 HydrophobicContact CB-CD2 4.35Å; V80-Y82 HydrophobicContact CB-CE2 3.7Å; V80-Y82 HydrophobicContact CG1-CD2 4.01Å; V80-Y82 HydrophobicContact CG1-CE1 4.2Å; V80-Y82 HydrophobicContact CG1-CE2 3.51Å; Y82-F90 VanDerWaalsContact O-CA 3.32Å; Y82-F90 WeakPolarHBondContact O-CA 3.43Å; Y82-F91 VanDerWaalsContact CB-CE2 3.46Å; Y82-F91 VanDerWaalsContact CB-CZ 3.5Å; Y82-F91 HydrophobicContact CD2-CD2 4.4Å; Y82-F91 AromaticContact CD2-CE2 3.92Å; Y82-F91 HydrophobicContact CD2-CE2 3.92Å; Y82-F91 AromaticContact CG-CE2 3.86Å; Y82-F91 HydrophobicContact CG-CE2 3.86Å; Y82-F91 HydrophobicContact CG-CZ 4.17Å; Y82-F91 PolarHBondContact N-O 3.44Å; Y82-F91 PolarHBondContact O-N 3.14Å; Y82-Y93 HydrophobicContact CD2-CD2 4.11Å; Y82-Y93 HydrophobicContact CE2-CD2 4.2Å; Y82-Y93 HydrophobicContact CE2-CG 4.43Å; Y82-F95 HydrophobicContact CE2-CE2 4.25Å
83	K	90.9	Very high	86.9	Confident	88 Å²	88	43.2 Å²	43.2	38%	0.383	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	124	166.8	-173.8	176.1	-177	174.2	0	109.1	G60 S61 D88 F90	G60-K83 CarbonylContact C-O 3.54Å; G60-K83 VanDerWaalsContact CA-O 3.25Å; G60-K83 WeakPolarHBondContact CA-O 3.43Å; S61-K83 PolarHBondContact N-O 3.29Å; S61-K83 PolarHBondContact O-N 3.49Å; K83-D88 IonicContact NZ-OD1 2.99Å; K83-F90 HydrophobicContact CB-CD1 3.87Å; K83-F90 HydrophobicContact CB-CE1 3.71Å; K83-F90 HydrophobicContact CB-CZ 4.46Å; K83-F90 HydrophobicContact CD-CE1 4.03Å; K83-F90 HydrophobicContact CD-CZ 4Å; K83-F90 HydrophobicContact CG-CD1 4.18Å; K83-F90 HydrophobicContact CG-CE1 3.81Å; K83-F90 HydrophobicContact CG-CZ 4.07Å
84	N	91.2	Very high	88.7	Confident	8 Å²	8	38.1 Å²	38.1	4%	0.043	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	134.2	175.8	-175.4	-21.3	0	0	0	110.1	W59 T86 K87 C89 F91	W59-N84 WeakPolarHBondContact O-CA 3.1Å; W59-N84 PolarHBondContact O-OD1 3.38Å; N84-T86 PolarHBondContact OD1-N 3.18Å; N84-T86 PolarHBondContact OD1-OG1 3.01Å; N84-K87 CarbonylContact C-O 3.52Å; N84-K87 VanDerWaalsContact CB-O 3.25Å; N84-K87 WeakPolarHBondContact CB-O 3.36Å; N84-K87 PolarHBondContact OD1-N 3.01Å; N84-C89 VanDerWaalsContact CB-O 3.3Å; N84-C89 WeakPolarHBondContact CB-O 3.22Å; N84-C89 PolarHBondContact N-O 2.87Å; N84-F91 HydrophobicContact CB-CD1 4.15Å; N84-F91 HydrophobicContact CB-CE1 3.85Å
85	M	87.5	Confident	90	Very high	121 Å²	121	33.3 Å²	33.3	60%	0.596	17%	0.169	S	C	*	.	S	Bend	trans	-80.9	-25	-178.2	-65.7	-173.7	69.8	0	0	113.3	W59	W59-M85 PolarHBondContact O-N 3.21Å
86	T	85.1	Confident	90.7	Very high	92 Å²	92	32.2 Å²	32.2	56%	0.564	16%	0.162	S	C	*	.	S	Bend	trans	-97.2	-34.2	-175.2	60.9	0	0	0	0	112.6	N84	N84-T86 PolarHBondContact OD1-N 3.18Å; N84-T86 PolarHBondContact OD1-OG1 3.01Å
87	K	83.5	Confident	90.9	Very high	128 Å²	128	32.2 Å²	32.2	56%	0.557	16%	0.161	S	C	*	.	S	Bend	trans	-118.2	134.1	177.8	-61.7	176.9	-176.9	173.5	0	107.3	N84 C89	N84-K87 CarbonylContact C-O 3.52Å; N84-K87 VanDerWaalsContact CB-O 3.25Å; N84-K87 WeakPolarHBondContact CB-O 3.36Å; N84-K87 PolarHBondContact OD1-N 3.01Å; K87-C89 PolarHBondContact O-N 2.99Å
88	D	85.4	Confident	91	Very high	101 Å²	101	32.5 Å²	32.5	54%	0.54	16%	0.16	S	C	.	.	S	Bend	trans	-73.3	77.2	171.9	-165.8	40	0	0	0	109.3	K83 R112	K83-D88 IonicContact NZ-OD1 2.99Å; D88-R112 WeakPolarHBondContact O-CG 3.35Å; D88-R112 PolarHBondContact O-NE 3.08Å
89	C	89.2	Confident	91	Very high	10 Å²	10	32.7 Å²	32.7	7%	0.068	16%	0.161	C	C	.	.			trans	-150	158.6	175.8	61.4	0	0	0	0	109.6	N84 K87 C110 Q111 R112	N84-C89 VanDerWaalsContact CB-O 3.3Å; N84-C89 WeakPolarHBondContact CB-O 3.22Å; N84-C89 PolarHBondContact N-O 2.87Å; K87-C89 PolarHBondContact O-N 2.99Å; C89-C110 HydrophobicContact CB-CB 4.14Å; C89-C110 WeakPolarHBondContact CB-SG 3.04Å; C89-C110 WeakPolarHBondContact SG-CB 3.38Å; C89-C110 CovalentContact SG-SG 2.04Å; C89-C110 PolarHBondContact SG-SG 3.01Å; C89-Q111 WeakPolarHBondContact CB-O 3.27Å; C89-R112 HydrophobicContact CB-CG 4.3Å
90	F	90.5	Very high	90.9	Very high	16 Å²	16	34.5 Å²	34.5	7%	0.07	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	151.5	179.5	-63.6	-102.4	0	0	0	110.1	H63 L81 Y82 K83 C110 Q111 P113 E119 I122	H63-F90 AromaticContact CD2-CE1 3.77Å; L81-F90 HydrophobicContact CD1-CB 4.03Å; L81-F90 HydrophobicContact CD2-CD1 4.31Å; L81-F90 HydrophobicContact CG-CD1 4.31Å; Y82-F90 VanDerWaalsContact O-CA 3.32Å; Y82-F90 WeakPolarHBondContact O-CA 3.43Å; K83-F90 HydrophobicContact CB-CD1 3.87Å; K83-F90 HydrophobicContact CB-CE1 3.71Å; K83-F90 HydrophobicContact CB-CZ 4.46Å; K83-F90 HydrophobicContact CD-CE1 4.03Å; K83-F90 HydrophobicContact CD-CZ 4Å; K83-F90 HydrophobicContact CG-CD1 4.18Å; K83-F90 HydrophobicContact CG-CE1 3.81Å; K83-F90 HydrophobicContact CG-CZ 4.07Å; F90-C110 WeakPolarHBondContact O-CA 3.46Å; F90-Q111 PolarHBondContact N-O 3.34Å; F90-Q111 PolarHBondContact O-N 2.69Å; F90-P113 HydrophobicContact CD2-CG 4.1Å; F90-P113 HydrophobicContact CE2-CG 4Å; F90-E119 HydrophobicContact CZ-CG 4.39Å; F90-I122 HydrophobicContact CB-CD1 3.73Å
91	F	90.8	Very high	91	Very high	3 Å²	3	34.5 Å²	34.5	1%	0.013	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	147.1	176.1	60.2	-90.3	0	0	0	109.6	L51 L58 Y82 N84 Y93 S108	L51-F91 HydrophobicContact CD2-CE2 4.14Å; L51-F91 HydrophobicContact CD2-CZ 4.46Å; L58-F91 HydrophobicContact CD1-CD1 3.95Å; L58-F91 HydrophobicContact CD1-CE1 3.69Å; L58-F91 HydrophobicContact CD1-CZ 4.14Å; L58-F91 HydrophobicContact CD2-CD1 4.25Å; L58-F91 HydrophobicContact CD2-CD2 3.91Å; L58-F91 HydrophobicContact CD2-CE1 3.94Å; L58-F91 HydrophobicContact CD2-CE2 3.6Å; L58-F91 HydrophobicContact CD2-CG 4.21Å; L58-F91 HydrophobicContact CD2-CZ 3.58Å; L58-F91 HydrophobicContact CG-CD1 4.39Å; L58-F91 HydrophobicContact CG-CE1 3.8Å; L58-F91 HydrophobicContact CG-CE2 4.26Å; L58-F91 HydrophobicContact CG-CZ 3.71Å; Y82-F91 VanDerWaalsContact CB-CE2 3.46Å; Y82-F91 VanDerWaalsContact CB-CZ 3.5Å; Y82-F91 HydrophobicContact CD2-CD2 4.4Å; Y82-F91 AromaticContact CD2-CE2 3.92Å; Y82-F91 HydrophobicContact CD2-CE2 3.92Å; Y82-F91 AromaticContact CG-CE2 3.86Å; Y82-F91 HydrophobicContact CG-CE2 3.86Å; Y82-F91 HydrophobicContact CG-CZ 4.17Å; Y82-F91 PolarHBondContact N-O 3.44Å; Y82-F91 PolarHBondContact O-N 3.14Å; N84-F91 HydrophobicContact CB-CD1 4.15Å; N84-F91 HydrophobicContact CB-CE1 3.85Å; F91-Y93 AromaticContact CD2-CD2 3.71Å; F91-Y93 HydrophobicContact CD2-CD2 3.71Å; F91-Y93 AromaticContact CD2-CE2 3.57Å; F91-Y93 HydrophobicContact CD2-CE2 3.57Å; F91-Y93 AromaticContact CE2-CD2 3.79Å; F91-Y93 HydrophobicContact CE2-CD2 3.79Å; F91-Y93 AromaticContact CE2-CE2 3.5Å; F91-Y93 HydrophobicContact CE2-CE2 3.5Å; F91-S108 WeakPolarHBondContact CA-OG 3.06Å
92	C	92.5	Very high	91.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	148.9	179.7	-55.1	0	0	0	0	111.2	V80 L81 R107 S108 C123 L126	V80-C92 WeakPolarHBondContact O-CA 3.48Å; L81-C92 WeakPolarHBondContact CD1-SG 3.17Å; C92-R107 WeakPolarHBondContact O-CA 3.36Å; C92-S108 PolarHBondContact N-OG 3.5Å; C92-S108 PolarHBondContact O-N 2.8Å; C92-C123 HydrophobicContact CB-CB 3.78Å; C92-C123 WeakPolarHBondContact CB-SG 3.14Å; C92-C123 WeakPolarHBondContact SG-CA 2.98Å; C92-C123 WeakPolarHBondContact SG-CB 3.49Å; C92-C123 PolarHBondContact SG-N 3.21Å; C92-C123 CovalentContact SG-SG 2.04Å; C92-C123 PolarHBondContact SG-SG 3.19Å; C92-L126 HydrophobicContact CB-CD1 3.66Å; C92-L126 HydrophobicContact CB-CD2 4.25Å; C92-L126 HydrophobicContact CB-CG 4.09Å
93	Y	94	Very high	91.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	134.4	166.9	-88.3	-101.4	0	0	0	109.5	L51 Q53 L58 V79 V80 Y82 F91 F95 Y105 R106 R107	L51-Y93 HydrophobicContact CD1-CD1 4.22Å; L51-Y93 HydrophobicContact CD1-CD2 4.01Å; L51-Y93 HydrophobicContact CD1-CE1 4.19Å; L51-Y93 HydrophobicContact CD1-CE2 4Å; L51-Y93 HydrophobicContact CD1-CG 4.12Å; L51-Y93 HydrophobicContact CD2-CE2 3.82Å; Q53-Y93 VanDerWaalsContact CD-OH 3.27Å; Q53-Y93 PolarHBondContact OE1-OH 3.37Å; L58-Y93 HydrophobicContact CD2-CE2 4.39Å; V79-Y93 CarbonylContact C-O 3.54Å; V79-Y93 VanDerWaalsContact CA-O 3.31Å; V79-Y93 WeakPolarHBondContact CA-O 3.02Å; V80-Y93 PolarHBondContact N-O 3.47Å; V80-Y93 PolarHBondContact O-N 2.97Å; Y82-Y93 HydrophobicContact CD2-CD2 4.11Å; Y82-Y93 HydrophobicContact CE2-CD2 4.2Å; Y82-Y93 HydrophobicContact CE2-CG 4.43Å; F91-Y93 AromaticContact CD2-CD2 3.71Å; F91-Y93 HydrophobicContact CD2-CD2 3.71Å; F91-Y93 AromaticContact CD2-CE2 3.57Å; F91-Y93 HydrophobicContact CD2-CE2 3.57Å; F91-Y93 AromaticContact CE2-CD2 3.79Å; F91-Y93 HydrophobicContact CE2-CD2 3.79Å; F91-Y93 AromaticContact CE2-CE2 3.5Å; F91-Y93 HydrophobicContact CE2-CE2 3.5Å; Y93-F95 AromaticContact CD1-CE1 3.6Å; Y93-F95 HydrophobicContact CD1-CE1 3.6Å; Y93-F95 HydrophobicContact CD1-CE2 4.39Å; Y93-F95 AromaticContact CD1-CZ 3.53Å; Y93-F95 HydrophobicContact CD1-CZ 3.53Å; Y93-F95 HydrophobicContact CE1-CE1 4.36Å; Y93-F95 HydrophobicContact CE1-CZ 4.42Å; Y93-F95 HydrophobicContact CG-CE1 4.22Å; Y93-F95 HydrophobicContact CG-CE2 4.19Å; Y93-F95 AromaticContact CG-CZ 3.68Å; Y93-F95 HydrophobicContact CG-CZ 3.68Å; Y93-Y105 AromaticContact CD1-CD2 3.97Å; Y93-Y105 HydrophobicContact CD1-CD2 3.97Å; Y93-Y105 HydrophobicContact CD1-CG 4.43Å; Y93-Y105 AromaticContact CE1-CD2 3.68Å; Y93-Y105 HydrophobicContact CE1-CD2 3.68Å; Y93-Y105 AromaticContact CE1-CE2 3.99Å; Y93-Y105 HydrophobicContact CE1-CE2 3.99Å; Y93-Y105 HydrophobicContact CE1-CG 4.45Å; Y93-R106 WeakPolarHBondContact CA-O 3.37Å; Y93-R107 HydrophobicContact CD1-CB 4.22Å; Y93-R107 HydrophobicContact CD2-CB 4.36Å; Y93-R107 HydrophobicContact CE1-CB 3.86Å; Y93-R107 HydrophobicContact CE2-CB 3.98Å; Y93-R107 HydrophobicContact CG-CB 4.46Å
94	D	93.7	Very high	91.4	Very high	9 Å²	9	30.9 Å²	30.9	5%	0.048	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	109.7	165.6	161.6	24.8	0	0	0	107.1	V79 Y105 R106 L126	V79-D94 HydrophobicContact CG2-CB 4.16Å; D94-Y105 CarbonylContact O-C 3.55Å; D94-Y105 WeakPolarHBondContact O-CA 3.47Å; D94-Y105 WeakPolarHBondContact O-CB 3.3Å; D94-R106 HydrophobicContact CB-CB 4.28Å; D94-R106 PolarHBondContact N-O 3.11Å; D94-R106 PolarHBondContact O-N 3.43Å; D94-R106 IonicContact OD2-CZ 3.28Å; D94-R106 IonicContact OD2-NH1 3.26Å; D94-R106 PolarHBondContact OD2-NH1 2.96Å; D94-L126 HydrophobicContact CB-CD1 3.99Å
95	F	94.4	Very high	91.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	119.6	177.3	-61.6	-72.7	0	0	0	110.7	Y29 I46 L51 D77 I78 V80 Y82 Y93 Y105	Y29-F95 HydrophobicContact CD1-CB 3.79Å; Y29-F95 HydrophobicContact CE1-CB 3.91Å; I46-F95 HydrophobicContact CD1-CD1 3.86Å; I46-F95 HydrophobicContact CD1-CE1 3.4Å; I46-F95 HydrophobicContact CD1-CZ 3.85Å; I46-F95 HydrophobicContact CG1-CE1 4.11Å; I46-F95 HydrophobicContact CG1-CZ 4.14Å; L51-F95 HydrophobicContact CD1-CE1 4.42Å; L51-F95 HydrophobicContact CD1-CE2 4.47Å; L51-F95 HydrophobicContact CD1-CZ 3.58Å; D77-F95 CarbonylContact C-O 3.06Å; D77-F95 WeakPolarHBondContact CA-O 3.45Å; I78-F95 HydrophobicContact CG2-CB 3.82Å; I78-F95 HydrophobicContact CG2-CD2 4.11Å; I78-F95 HydrophobicContact CG2-CG 4.47Å; I78-F95 PolarHBondContact N-O 3.34Å; I78-F95 PolarHBondContact O-N 2.71Å; V80-F95 HydrophobicContact CG2-CD2 4.39Å; V80-F95 HydrophobicContact CG2-CE2 4.44Å; Y82-F95 HydrophobicContact CE2-CE2 4.25Å; Y93-F95 AromaticContact CD1-CE1 3.6Å; Y93-F95 HydrophobicContact CD1-CE1 3.6Å; Y93-F95 HydrophobicContact CD1-CE2 4.39Å; Y93-F95 AromaticContact CD1-CZ 3.53Å; Y93-F95 HydrophobicContact CD1-CZ 3.53Å; Y93-F95 HydrophobicContact CE1-CE1 4.36Å; Y93-F95 HydrophobicContact CE1-CZ 4.42Å; Y93-F95 HydrophobicContact CG-CE1 4.22Å; Y93-F95 HydrophobicContact CG-CE2 4.19Å; Y93-F95 AromaticContact CG-CZ 3.68Å; Y93-F95 HydrophobicContact CG-CZ 3.68Å; F95-Y105 HydrophobicContact CD1-CG 4.43Å; F95-Y105 HydrophobicContact CE1-CG 4.43Å
96	I	93	Very high	91.8	Very high	6 Å²	6	28 Å²	28	3%	0.031	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	116.9	178.5	-51.2	178.4	0	0	0	108.8	V75 D77 R98 Q104 L131	V75-I96 HydrophobicContact CG1-CG2 3.58Å; D77-I96 HydrophobicContact CB-CG1 4.18Å; I96-R98 PolarHBondContact O-N 3.46Å; I96-Q104 HydrophobicContact CB-CB 4.23Å; I96-Q104 PolarHBondContact N-O 3.3Å; I96-Q104 PolarHBondContact O-N 2.03Å; I96-L131 HydrophobicContact CD1-CD1 3.84Å
97	F	92.9	Very high	92.1	Very high	50 Å²	50	26.1 Å²	26.1	22%	0.219	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	113.4	176.2	-171.8	-92.5	0	0	0	109.8	K28 Y29 E76 P100 L103	K28-F97 HydrophobicContact CB-CE2 4.27Å; K28-F97 HydrophobicContact CD-CD2 4.44Å; Y29-F97 HydrophobicContact CE1-CB 3.89Å; E76-F97 HydrophobicContact CB-CB 4.17Å; E76-F97 PolarHBondContact O-N 3.08Å; F97-P100 HydrophobicContact CZ-CG 4.42Å; F97-L103 HydrophobicContact CB-CD2 4.22Å; F97-L103 HydrophobicContact CD2-CD2 3.52Å; F97-L103 HydrophobicContact CE2-CD2 4.24Å; F97-L103 HydrophobicContact CG-CD2 4.2Å
98	R	92.6	Very high	92.4	Very high	35 Å²	35	20.3 Å²	20.3	13%	0.132	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-46.6	177.2	-63.1	-54.6	-164.7	169	4.1	112.2	I96 V102 Q104 W226	I96-R98 PolarHBondContact O-N 3.46Å; R98-V102 WeakPolarHBondContact CB-O 3.31Å; R98-V102 PolarHBondContact N-O 2.84Å; R98-Q104 HydrophobicContact CG-CB 4.38Å; R98-Q104 HydrophobicContact CG-CG 3.94Å; R98-Q104 VanDerWaalsContact CZ-OE1 3.28Å; R98-W226 HydrophobicContact CB-CB 4.13Å; R98-W226 HydrophobicContact CB-CD2 3.86Å; R98-W226 HydrophobicContact CB-CE3 4.01Å; R98-W226 HydrophobicContact CB-CG 3.92Å; R98-W226 HydrophobicContact CG-CB 4.49Å; R98-W226 HydrophobicContact CG-CD2 4.02Å; R98-W226 HydrophobicContact CG-CG 3.96Å
99	S	92.5	Very high	92.6	Very high	4 Å²	4	22.4 Å²	22.4	3%	0.028	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	168	176.8	67.3	0	0	0	0	109.7	N101 V102 Y223 G224	S99-N101 PolarHBondContact O-N 3.24Å; S99-V102 PolarHBondContact N-O 2.04Å; S99-V102 VanDerWaalsContact N-O 3.08Å; S99-V102 PolarHBondContact O-N 3.1Å; S99-V102 VanDerWaalsContact O-N 3.1Å; S99-V102 VanDerWaalsContact OG-CB 3.32Å; S99-V102 WeakPolarHBondContact OG-CB 3.35Å; S99-V102 WeakPolarHBondContact OG-CG2 3.25Å; S99-V102 PolarHBondContact OG-N 3.42Å; S99-Y223 PolarHBondContact OG-O 2.85Å; S99-G224 WeakPolarHBondContact OG-CA 3.42Å
100	P	91.7	Very high	92.5	Very high	53 Å²	53	24.2 Å²	24.2	34%	0.344	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-24.6	-178.6	-31.5	40.5	0	0	0	115.2	K31 F97 S143	K31-P100 WeakPolarHBondContact CE-O 3.42Å; K31-P100 PolarHBondContact NZ-O 3.14Å; F97-P100 HydrophobicContact CZ-CG 4.42Å; P100-S143 WeakPolarHBondContact CB-OG 3.26Å
101	N	94.8	Very high	92.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-0.7	-179.7	-48.3	-53.3	0	0	0	114.6	S99 V136 S143 Y223	S99-N101 PolarHBondContact O-N 3.24Å; N101-V136 HydrophobicContact CB-CB 4.33Å; N101-V136 HydrophobicContact CB-CG2 4.4Å; N101-V136 WeakPolarHBondContact O-CG2 3.27Å; N101-V136 PolarHBondContact O-N 2.81Å; N101-S143 PolarHBondContact ND2-O 3.44Å; N101-S143 PolarHBondContact OD1-N 2.85Å; N101-S143 PolarHBondContact OD1-O 2.04Å; N101-S143 VanDerWaalsContact OD1-O 3.13Å; N101-S143 PolarHBondContact OD1-OG 2.78Å; N101-Y223 HydrophobicContact CB-CD1 3.64Å; N101-Y223 HydrophobicContact CB-CE1 4.22Å; N101-Y223 HydrophobicContact CB-CG 4.12Å; N101-Y223 WeakPolarHBondContact CB-O 3.48Å; N101-Y223 PolarHBondContact ND2-O 2.95Å
102	V	94.9	Very high	92.2	Very high	0 Å²	0	36 Å²	36	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	119.9	-176.5	-172.9	0	0	0	0	109.5	R98 S99 T133 G134 F135 W226 A236	R98-V102 WeakPolarHBondContact CB-O 3.31Å; R98-V102 PolarHBondContact N-O 2.84Å; S99-V102 PolarHBondContact N-O 2.04Å; S99-V102 VanDerWaalsContact N-O 3.08Å; S99-V102 PolarHBondContact O-N 3.1Å; S99-V102 VanDerWaalsContact O-N 3.1Å; S99-V102 VanDerWaalsContact OG-CB 3.32Å; S99-V102 WeakPolarHBondContact OG-CB 3.35Å; S99-V102 WeakPolarHBondContact OG-CG2 3.25Å; S99-V102 PolarHBondContact OG-N 3.42Å; V102-T133 HydrophobicContact CG1-CG2 3.75Å; V102-G134 WeakPolarHBondContact CA-O 3.28Å; V102-F135 HydrophobicContact CG2-CD1 4.24Å; V102-W226 HydrophobicContact CB-CZ3 4.28Å; V102-W226 HydrophobicContact CG1-CH2 3.91Å; V102-W226 HydrophobicContact CG1-CZ3 3.88Å; V102-W226 HydrophobicContact CG2-CZ3 4.31Å; V102-A236 HydrophobicContact CG2-CB 3.66Å
103	L	94.7	Very high	91.5	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	133.6	171.6	-64.2	-179.4	0	0	0	108.1	Y29 K31 L33 I46 F97 G134	Y29-L103 HydrophobicContact CD1-CD1 4.31Å; Y29-L103 HydrophobicContact CD1-CD2 4.24Å; K31-L103 HydrophobicContact CD-CD1 4.24Å; L33-L103 HydrophobicContact CD1-CB 3.9Å; L33-L103 HydrophobicContact CD1-CD1 4.03Å; L33-L103 HydrophobicContact CD1-CG 4.46Å; L33-L103 HydrophobicContact CD2-CB 4.37Å; L33-L103 HydrophobicContact CD2-CD1 4.21Å; L33-L103 HydrophobicContact CD2-CG 4.39Å; I46-L103 HydrophobicContact CD1-CD1 4.42Å; F97-L103 HydrophobicContact CB-CD2 4.22Å; F97-L103 HydrophobicContact CD2-CD2 3.52Å; F97-L103 HydrophobicContact CE2-CD2 4.24Å; F97-L103 HydrophobicContact CG-CD2 4.2Å; L103-G134 PolarHBondContact N-O 2.78Å; L103-G134 WeakPolarHBondContact O-CA 3.41Å; L103-G134 PolarHBondContact O-N 3.43Å; L103-G134 VanDerWaalsContact O-O 3.13Å
104	Q	93.8	Very high	90.9	Very high	12 Å²	12	45.5 Å²	45.5	6%	0.056	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	149.5	166	-69.6	-173.6	-43.9	0	0	108.9	I96 R98 L131 E132 T133	I96-Q104 HydrophobicContact CB-CB 4.23Å; I96-Q104 PolarHBondContact N-O 3.3Å; I96-Q104 PolarHBondContact O-N 2.03Å; R98-Q104 HydrophobicContact CG-CB 4.38Å; R98-Q104 HydrophobicContact CG-CG 3.94Å; R98-Q104 VanDerWaalsContact CZ-OE1 3.28Å; Q104-L131 HydrophobicContact CB-CD1 3.89Å; Q104-L131 HydrophobicContact CB-CG 4.27Å; Q104-E132 CarbonylContact C-O 3.49Å; Q104-E132 WeakPolarHBondContact CA-O 3.47Å; Q104-E132 WeakPolarHBondContact CB-O 3.29Å; Q104-T133 HydrophobicContact CG-CG2 4.25Å; Q104-T133 PolarHBondContact NE2-OG1 2.78Å; Q104-T133 VanDerWaalsContact NE2-OG1 3.17Å
105	Y	94.4	Very high	89.9	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	152.3	176.9	60.3	-92.3	0	0	0	113.3	L33 S35 E37 T44 Y93 D94 F95 E132	L33-Y105 HydrophobicContact CD1-CD1 4.21Å; L33-Y105 HydrophobicContact CD1-CE1 4.17Å; S35-Y105 WeakPolarHBondContact CB-OH 3.44Å; S35-Y105 PolarHBondContact OG-OH 2.77Å; E37-Y105 WeakPolarHBondContact OE1-CE2 3.33Å; E37-Y105 PolarHBondContact OE1-OH 3.42Å; T44-Y105 PolarHBondContact OG1-OH 2.66Å; Y93-Y105 AromaticContact CD1-CD2 3.97Å; Y93-Y105 HydrophobicContact CD1-CD2 3.97Å; Y93-Y105 HydrophobicContact CD1-CG 4.43Å; Y93-Y105 AromaticContact CE1-CD2 3.68Å; Y93-Y105 HydrophobicContact CE1-CD2 3.68Å; Y93-Y105 AromaticContact CE1-CE2 3.99Å; Y93-Y105 HydrophobicContact CE1-CE2 3.99Å; Y93-Y105 HydrophobicContact CE1-CG 4.45Å; D94-Y105 CarbonylContact O-C 3.55Å; D94-Y105 WeakPolarHBondContact O-CA 3.47Å; D94-Y105 WeakPolarHBondContact O-CB 3.3Å; F95-Y105 HydrophobicContact CD1-CG 4.43Å; F95-Y105 HydrophobicContact CE1-CG 4.43Å; Y105-E132 HydrophobicContact CD2-CB 4.07Å; Y105-E132 HydrophobicContact CE1-CB 4.25Å; Y105-E132 HydrophobicContact CE2-CB 3.7Å; Y105-E132 HydrophobicContact CE2-CG 4.06Å; Y105-E132 HydrophobicContact CG-CB 4.48Å; Y105-E132 PolarHBondContact N-O 2.78Å; Y105-E132 PolarHBondContact O-N 2.84Å
106	R	93.2	Very high	89.1	Confident	68 Å²	68	60 Å²	60	26%	0.257	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	145	167.4	-57.1	-175.9	-179.1	93.4	0.1	108.8	Y93 D94 L126 L131	Y93-R106 WeakPolarHBondContact CA-O 3.37Å; D94-R106 HydrophobicContact CB-CB 4.28Å; D94-R106 PolarHBondContact N-O 3.11Å; D94-R106 PolarHBondContact O-N 3.43Å; D94-R106 IonicContact OD2-CZ 3.28Å; D94-R106 IonicContact OD2-NH1 3.26Å; D94-R106 PolarHBondContact OD2-NH1 2.96Å; R106-L126 HydrophobicContact CB-CD2 4.15Å; R106-L126 VanDerWaalsContact CD-O 3.32Å; R106-L126 WeakPolarHBondContact CD-O 3.45Å; R106-L131 HydrophobicContact CG-CB 4.44Å; R106-L131 HydrophobicContact CG-CD1 3.77Å
107	R	90.8	Very high	88.4	Confident	53 Å²	53	61.7 Å²	61.7	20%	0.2	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	140.1	173.3	76.3	-178.5	152.7	77.7	6	111.5	E37 L55 C92 Y93 S129	E37-R107 IonicContact OE2-CZ 2.75Å; E37-R107 VanDerWaalsContact OE2-CZ 3.26Å; E37-R107 IonicContact OE2-NE 3.75Å; E37-R107 PolarHBondContact OE2-NE 2.97Å; E37-R107 IonicContact OE2-NH2 2.92Å; E37-R107 PolarHBondContact OE2-NH2 2.85Å; L55-R107 VanDerWaalsContact CD2-NH2 3.3Å; C92-R107 WeakPolarHBondContact O-CA 3.36Å; Y93-R107 HydrophobicContact CD1-CB 4.22Å; Y93-R107 HydrophobicContact CD2-CB 4.36Å; Y93-R107 HydrophobicContact CE1-CB 3.86Å; Y93-R107 HydrophobicContact CE2-CB 3.98Å; Y93-R107 HydrophobicContact CG-CB 4.46Å; R107-S129 WeakPolarHBondContact O-CB 3.46Å; R107-S129 PolarHBondContact O-OG 2.98Å
108	S	90.9	Very high	87.8	Confident	6 Å²	6	64.8 Å²	64.8	4%	0.042	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-79.5	167.1	168.9	77.3	0	0	0	0	110.8	F91 C92 S125	F91-S108 WeakPolarHBondContact CA-OG 3.06Å; C92-S108 PolarHBondContact N-OG 3.5Å; C92-S108 PolarHBondContact O-N 2.8Å; S108-S125 VanDerWaalsContact CB-OG 3.29Å; S108-S125 WeakPolarHBondContact CB-OG 3.47Å
109	Q	88.5	Confident	87.1	Confident	146 Å²	146	66.7 Å²	66.7	68%	0.682	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-71.4	155.6	164.4	-63	179.1	0.8	0	0	110.2	Q111	Q109-Q111 PolarHBondContact O-N 3.06Å
110	C	87.9	Confident	86.6	Confident	48 Å²	48	68.3 Å²	68.3	32%	0.324	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-75.3	116.7	173.8	-150.4	0	0	0	0	109.8	C89 F90	C89-C110 HydrophobicContact CB-CB 4.14Å; C89-C110 WeakPolarHBondContact CB-SG 3.04Å; C89-C110 WeakPolarHBondContact SG-CB 3.38Å; C89-C110 CovalentContact SG-SG 2.04Å; C89-C110 PolarHBondContact SG-SG 3.01Å; F90-C110 WeakPolarHBondContact O-CA 3.46Å
111	Q	88.5	Confident	86.2	Confident	78 Å²	78	70.2 Å²	70.2	36%	0.364	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-127.4	149.2	-175.9	-66.6	178.5	1.2	0	0	110.4	C89 F90 Q109 I122	C89-Q111 WeakPolarHBondContact CB-O 3.27Å; F90-Q111 PolarHBondContact N-O 3.34Å; F90-Q111 PolarHBondContact O-N 2.69Å; Q109-Q111 PolarHBondContact O-N 3.06Å; Q111-I122 HydrophobicContact CB-CD1 4.45Å; Q111-I122 HydrophobicContact CB-CG2 4.46Å
112	R	86.4	Confident	85.7	Confident	187 Å²	187	70.8 Å²	70.8	71%	0.706	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-86	134.1	168.7	-77.6	-179.3	-177.6	154.8	1	108.5	D88 C89	D88-R112 WeakPolarHBondContact O-CG 3.35Å; D88-R112 PolarHBondContact O-NE 3.08Å; C89-R112 HydrophobicContact CB-CG 4.3Å
113	P	78.9	Confident	85.4	Confident	42 Å²	42	71.5 Å²	71.5	27%	0.273	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-61.8	138.6	176	26.2	-33.5	0	0	0	109.5	F90 E119	F90-P113 HydrophobicContact CD2-CG 4.1Å; F90-P113 HydrophobicContact CE2-CG 4Å; P113-E119 HydrophobicContact CB-CG 4.13Å; P113-E119 HydrophobicContact CG-CG 4.19Å
114	E	79.5	Confident	84.9	Confident	159 Å²	159	74.3 Å²	74.3	74%	0.743	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-70.5	142.3	173.9	-63.9	-177.1	173.4	0	0	109.3	G116 S117	E114-G116 PolarHBondContact O-N 3.29Å; E114-G116 VanDerWaalsContact O-N 3.07Å; E114-S117 PolarHBondContact N-OG 3.17Å; E114-S117 PolarHBondContact O-N 3.28Å; E114-S117 PolarHBondContact O-OG 3.05Å
115	F	74.2	Confident	84.4	Confident	226 Å²	226	75.6 Å²	75.6	99%	0.991	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	116.4	-178.8	-76.7	-82.6	0	0	0	111.2
116	G	76.9	Confident	84	Confident	88 Å²	88	76.1 Å²	76.1	91%	0.907	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.3	-0.6	178.4	0	0	0	0	0	115.8	E114	E114-G116 PolarHBondContact O-N 3.29Å; E114-G116 VanDerWaalsContact O-N 3.07Å
117	S	78.2	Confident	83.5	Confident	41 Å²	41	77.5 Å²	77.5	29%	0.287	44%	0.439	S	S	.	.	S	Bend	trans	-88.8	146.5	170.3	67	0	0	0	0	111.3	E114	E114-S117 PolarHBondContact N-OG 3.17Å; E114-S117 PolarHBondContact O-N 3.28Å; E114-S117 PolarHBondContact O-OG 3.05Å
118	N	80.8	Confident	83.1	Confident	115 Å²	115	79.6 Å²	79.6	62%	0.615	47%	0.468	S	S	*	.			trans	-66.6	135.5	170.2	-70.8	-6.6	0	0	0	109.3	S120 T121	N118-S120 PolarHBondContact O-N 3.2Å; N118-S120 VanDerWaalsContact O-N 3.07Å; N118-T121 VanDerWaalsContact O-CB 3.29Å; N118-T121 WeakPolarHBondContact O-CB 3.39Å; N118-T121 PolarHBondContact O-N 3.16Å; N118-T121 PolarHBondContact O-OG1 3.26Å
119	E	78	Confident	82.9	Confident	74 Å²	74	80.8 Å²	80.8	35%	0.346	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-59.6	-25.1	-178	-63.7	82.2	175	0	0	112.5	L81 F90 P113 T121 I122	L81-E119 HydrophobicContact CD2-CB 3.79Å; F90-E119 HydrophobicContact CZ-CG 4.39Å; P113-E119 HydrophobicContact CB-CG 4.13Å; P113-E119 HydrophobicContact CG-CG 4.19Å; E119-T121 PolarHBondContact O-N 3.1Å; E119-I122 PolarHBondContact O-N 3.35Å
120	S	80.9	Confident	82.8	Confident	39 Å²	39	79.5 Å²	79.5	27%	0.273	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-62.9	-18.7	174.9	62.7	0	0	0	0	114	N118 I122 C123	N118-S120 PolarHBondContact O-N 3.2Å; N118-S120 VanDerWaalsContact O-N 3.07Å; S120-I122 PolarHBondContact O-N 2.8Å; S120-C123 WeakPolarHBondContact O-CB 3.33Å; S120-C123 PolarHBondContact O-N 2.91Å
121	T	84.2	Confident	82.9	Confident	92 Å²	92	79.6 Å²	79.6	56%	0.564	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-61.2	-29.9	179.3	-47.9	0	0	0	0	111.7	N118 E119 C123 G124	N118-T121 VanDerWaalsContact O-CB 3.29Å; N118-T121 WeakPolarHBondContact O-CB 3.39Å; N118-T121 PolarHBondContact O-N 3.16Å; N118-T121 PolarHBondContact O-OG1 3.26Å; E119-T121 PolarHBondContact O-N 3.1Å; T121-C123 PolarHBondContact O-N 3.16Å; T121-G124 PolarHBondContact O-N 2.89Å
122	I	84.7	Confident	83.1	Confident	12 Å²	12	76.3 Å²	76.3	6%	0.062	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-58	-34	176.5	-62	170.5	0	0	0	110.9	F90 Q111 E119 S120 G124 S125	F90-I122 HydrophobicContact CB-CD1 3.73Å; Q111-I122 HydrophobicContact CB-CD1 4.45Å; Q111-I122 HydrophobicContact CB-CG2 4.46Å; E119-I122 PolarHBondContact O-N 3.35Å; S120-I122 PolarHBondContact O-N 2.8Å; I122-G124 PolarHBondContact O-N 3.17Å; I122-S125 WeakPolarHBondContact O-CB 3.02Å; I122-S125 PolarHBondContact O-N 3.29Å; I122-S125 VanDerWaalsContact O-N 3.16Å; I122-S125 PolarHBondContact O-OG 2.95Å
123	C	87	Confident	83.4	Confident	15 Å²	15	67.9 Å²	67.9	10%	0.101	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-69.8	-15.6	-179.6	-56.8	0	0	0	0	112.9	V79 C92 S120 T121 S125 L126	V79-C123 HydrophobicContact CG1-CB 4.1Å; C92-C123 HydrophobicContact CB-CB 3.78Å; C92-C123 WeakPolarHBondContact CB-SG 3.14Å; C92-C123 WeakPolarHBondContact SG-CA 2.98Å; C92-C123 WeakPolarHBondContact SG-CB 3.49Å; C92-C123 PolarHBondContact SG-N 3.21Å; C92-C123 CovalentContact SG-SG 2.04Å; C92-C123 PolarHBondContact SG-SG 3.19Å; S120-C123 WeakPolarHBondContact O-CB 3.33Å; S120-C123 PolarHBondContact O-N 2.91Å; T121-C123 PolarHBondContact O-N 3.16Å; C123-S125 PolarHBondContact O-N 3.25Å; C123-L126 HydrophobicContact CB-CD1 3.99Å; C123-L126 VanDerWaalsContact O-CB 3.26Å; C123-L126 WeakPolarHBondContact O-CB 3.13Å; C123-L126 WeakPolarHBondContact O-CD1 3.25Å; C123-L126 WeakPolarHBondContact O-CG 3.2Å; C123-L126 PolarHBondContact O-N 2.85Å; C123-L126 VanDerWaalsContact O-N 3.13Å
124	G	84.4	Confident	84.2	Confident	59 Å²	59	65.9 Å²	65.9	61%	0.608	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-61.6	-25.7	171.5	0	0	0	0	0	113.3	T121 I122 L126	T121-G124 PolarHBondContact O-N 2.89Å; I122-G124 PolarHBondContact O-N 3.17Å; G124-L126 PolarHBondContact O-N 2.84Å
125	S	84.7	Confident	84.9	Confident	40 Å²	40	58.3 Å²	58.3	28%	0.28	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-71.5	-12.6	176.6	67.9	0	0	0	0	114.1	S108 I122 C123 A127 A128 S129	S108-S125 VanDerWaalsContact CB-OG 3.29Å; S108-S125 WeakPolarHBondContact CB-OG 3.47Å; I122-S125 WeakPolarHBondContact O-CB 3.02Å; I122-S125 PolarHBondContact O-N 3.29Å; I122-S125 VanDerWaalsContact O-N 3.16Å; I122-S125 PolarHBondContact O-OG 2.95Å; C123-S125 PolarHBondContact O-N 3.25Å; S125-A127 VanDerWaalsContact C-N 3.27Å; S125-A127 PolarHBondContact O-N 3.4Å; S125-A128 PolarHBondContact O-N 2.91Å; S125-S129 PolarHBondContact O-OG 3.4Å
126	L	86.3	Confident	85.8	Confident	10 Å²	10	47.6 Å²	47.6	5%	0.052	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-64.2	-30.4	-179.7	-70.8	169.6	0	0	0	112.9	V79 C92 D94 R106 C123 G124 A128 S129	V79-L126 HydrophobicContact CG1-CD1 3.75Å; C92-L126 HydrophobicContact CB-CD1 3.66Å; C92-L126 HydrophobicContact CB-CD2 4.25Å; C92-L126 HydrophobicContact CB-CG 4.09Å; D94-L126 HydrophobicContact CB-CD1 3.99Å; R106-L126 HydrophobicContact CB-CD2 4.15Å; R106-L126 VanDerWaalsContact CD-O 3.32Å; R106-L126 WeakPolarHBondContact CD-O 3.45Å; C123-L126 HydrophobicContact CB-CD1 3.99Å; C123-L126 VanDerWaalsContact O-CB 3.26Å; C123-L126 WeakPolarHBondContact O-CB 3.13Å; C123-L126 WeakPolarHBondContact O-CD1 3.25Å; C123-L126 WeakPolarHBondContact O-CG 3.2Å; C123-L126 PolarHBondContact O-N 2.85Å; C123-L126 VanDerWaalsContact O-N 3.13Å; G124-L126 PolarHBondContact O-N 2.84Å; L126-A128 PolarHBondContact O-N 2.95Å; L126-S129 WeakPolarHBondContact O-CB 3.48Å; L126-S129 PolarHBondContact O-N 2.93Å
127	A	82.2	Confident	86.3	Confident	97 Å²	97	48.3 Å²	48.3	80%	0.802	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-61.4	-30.1	179.8	0	0	0	0	0	112.9	S125	S125-A127 VanDerWaalsContact C-N 3.27Å; S125-A127 PolarHBondContact O-N 3.4Å
128	A	82.4	Confident	86.5	Confident	98 Å²	98	47.8 Å²	47.8	81%	0.81	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-92.1	-5.3	176.2	0	0	0	0	0	113.2	S125 L126	S125-A128 PolarHBondContact O-N 2.91Å; L126-A128 PolarHBondContact O-N 2.95Å
129	S	86.5	Confident	86.6	Confident	30 Å²	30	52.3 Å²	52.3	21%	0.21	31%	0.306	C	S	.	.	S	Bend	trans	-81.6	147	-176.2	-59.6	0	0	0	0	111.3	R107 S125 L126	R107-S129 WeakPolarHBondContact O-CB 3.46Å; R107-S129 PolarHBondContact O-OG 2.98Å; S125-S129 PolarHBondContact O-OG 3.4Å; L126-S129 WeakPolarHBondContact O-CB 3.48Å; L126-S129 PolarHBondContact O-N 2.93Å
130	E	85.8	Confident	86.9	Confident	120 Å²	120	57.3 Å²	57.3	56%	0.561	33%	0.33	S	S	*	.			trans	-66.2	144.8	178.8	-66.2	-174.6	-174.5	0	0	111.7	K275	E130-K275 IonicContact OE2-NZ 3.78Å; E130-K275 PolarHBondContact OE2-NZ 3.42Å
131	L	90.3	Very high	87.1	Confident	50 Å²	50	57.4 Å²	57.4	26%	0.262	33%	0.327	S	S	.	.			trans	-89.9	112.6	177.2	-174.4	67.5	0	0	0	110	I96 Q104 R106	I96-L131 HydrophobicContact CD1-CD1 3.84Å; Q104-L131 HydrophobicContact CB-CD1 3.89Å; Q104-L131 HydrophobicContact CB-CG 4.27Å; R106-L131 HydrophobicContact CG-CB 4.44Å; R106-L131 HydrophobicContact CG-CD1 3.77Å
132	E	92.3	Very high	87.3	Confident	9 Å²	9	55.5 Å²	55.5	4%	0.042	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	149.6	176.7	-58.4	-61.8	174.3	0	0	111.1	E37 Q104 Y105 K275	E37-E132 HydrophobicContact CG-CG 4.1Å; Q104-E132 CarbonylContact C-O 3.49Å; Q104-E132 WeakPolarHBondContact CA-O 3.47Å; Q104-E132 WeakPolarHBondContact CB-O 3.29Å; Y105-E132 HydrophobicContact CD2-CB 4.07Å; Y105-E132 HydrophobicContact CE1-CB 4.25Å; Y105-E132 HydrophobicContact CE2-CB 3.7Å; Y105-E132 HydrophobicContact CE2-CG 4.06Å; Y105-E132 HydrophobicContact CG-CB 4.48Å; Y105-E132 PolarHBondContact N-O 2.78Å; Y105-E132 PolarHBondContact O-N 2.84Å; E132-K275 IonicContact OE1-NZ 3.59Å; E132-K275 PolarHBondContact OE1-NZ 2.87Å; E132-K275 WeakPolarHBondContact OE2-CE 3.48Å; E132-K275 IonicContact OE2-NZ 2.68Å; E132-K275 PolarHBondContact OE2-NZ 2.88Å
133	T	94.1	Very high	87.6	Confident	9 Å²	9	57 Å²	57	6%	0.055	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	115.3	174.5	-55.9	0	0	0	0	109.6	S35 V102 Q104 F135	S35-T133 WeakPolarHBondContact CB-O 3.32Å; V102-T133 HydrophobicContact CG1-CG2 3.75Å; Q104-T133 HydrophobicContact CG-CG2 4.25Å; Q104-T133 PolarHBondContact NE2-OG1 2.78Å; Q104-T133 VanDerWaalsContact NE2-OG1 3.17Å; T133-F135 HydrophobicContact CG2-CE1 4.19Å; T133-F135 HydrophobicContact CG2-CE2 4.29Å; T133-F135 HydrophobicContact CG2-CZ 3.92Å
134	G	93.9	Very high	87.6	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	126.3	177.6	0	0	0	0	0	111.9	F34 V102 L103	F34-G134 WeakPolarHBondContact O-CA 3.45Å; V102-G134 WeakPolarHBondContact CA-O 3.28Å; L103-G134 PolarHBondContact N-O 2.78Å; L103-G134 WeakPolarHBondContact O-CA 3.41Å; L103-G134 PolarHBondContact O-N 3.43Å; L103-G134 VanDerWaalsContact O-O 3.13Å
135	F	95.1	Very high	87.9	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	136.3	175.2	-55.4	-82.3	0	0	0	110.5	L33 F34 V102 T133 R137 A236 Y248 S272 C274	L33-F135 CarbonylContact C-O 3.53Å; L33-F135 VanDerWaalsContact CA-O 3.3Å; L33-F135 WeakPolarHBondContact CA-O 3.17Å; F34-F135 PolarHBondContact N-O 2.93Å; F34-F135 PolarHBondContact O-N 3.23Å; V102-F135 HydrophobicContact CG2-CD1 4.24Å; T133-F135 HydrophobicContact CG2-CE1 4.19Å; T133-F135 HydrophobicContact CG2-CE2 4.29Å; T133-F135 HydrophobicContact CG2-CZ 3.92Å; F135-R137 PolarHBondContact O-N 2.87Å; F135-R137 VanDerWaalsContact O-N 3.12Å; F135-A236 HydrophobicContact CD1-CB 4.28Å; F135-A236 HydrophobicContact CE1-CB 3.73Å; F135-Y248 HydrophobicContact CB-CD1 3.67Å; F135-Y248 HydrophobicContact CB-CD2 3.99Å; F135-Y248 HydrophobicContact CB-CE1 3.8Å; F135-Y248 HydrophobicContact CB-CE2 4.08Å; F135-Y248 HydrophobicContact CB-CG 3.77Å; F135-Y248 HydrophobicContact CD1-CD1 4.05Å; F135-Y248 HydrophobicContact CD1-CG 4.08Å; F135-Y248 HydrophobicContact CD2-CD1 4.44Å; F135-Y248 AromaticContact CD2-CD2 3.94Å; F135-Y248 HydrophobicContact CD2-CD2 3.94Å; F135-Y248 AromaticContact CD2-CG 3.77Å; F135-Y248 HydrophobicContact CD2-CG 3.77Å; F135-Y248 HydrophobicContact CE2-CG 4.36Å; F135-Y248 AromaticContact CG-CD1 3.79Å; F135-Y248 HydrophobicContact CG-CD1 3.79Å; F135-Y248 HydrophobicContact CG-CD2 4.05Å; F135-Y248 HydrophobicContact CG-CE1 4.43Å; F135-Y248 AromaticContact CG-CG 3.58Å; F135-Y248 HydrophobicContact CG-CG 3.58Å; F135-S272 WeakPolarHBondContact CE2-O 3.47Å; F135-C274 VanDerWaalsContact CZ-SG 3.53Å
136	V	92.5	Very high	88.1	Confident	1 Å²	1	60 Å²	60	1%	0.006	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	119.9	174.2	170.2	0	0	0	0	110.6	K31 L33 N101 S138 D141 Y248	K31-V136 HydrophobicContact CB-CG2 4.36Å; K31-V136 HydrophobicContact CD-CG2 3.68Å; K31-V136 HydrophobicContact CG-CG2 4.41Å; L33-V136 HydrophobicContact CD2-CG2 4.05Å; N101-V136 HydrophobicContact CB-CB 4.33Å; N101-V136 HydrophobicContact CB-CG2 4.4Å; N101-V136 WeakPolarHBondContact O-CG2 3.27Å; N101-V136 PolarHBondContact O-N 2.81Å; V136-S138 WeakPolarHBondContact CG1-O 3.48Å; V136-D141 HydrophobicContact CG1-CB 3.57Å; V136-Y248 PolarHBondContact O-OH 2.97Å
137	R	87.7	Confident	88.3	Confident	103 Å²	103	59.7 Å²	59.7	39%	0.389	32%	0.316	S	S	.	.			trans	-95	-40.6	-179.6	177.5	179.9	168.4	160.7	-1.3	112.2	T32 F34 F135 L244	T32-R137 HydrophobicContact CG2-CB 4.4Å; T32-R137 PolarHBondContact O-N 3.43Å; F34-R137 HydrophobicContact CB-CB 4.13Å; F135-R137 PolarHBondContact O-N 2.87Å; F135-R137 VanDerWaalsContact O-N 3.12Å; R137-L244 VanDerWaalsContact NH1-CD1 3.28Å
138	S	82.6	Confident	88.6	Confident	31 Å²	31	60.2 Å²	60.2	22%	0.217	30%	0.3	C	S	.	.			trans	-68.3	137.2	-178.1	-173.4	0	0	0	0	110.2	V136 E140 D141 Y142	V136-S138 WeakPolarHBondContact CG1-O 3.48Å; S138-E140 PolarHBondContact O-N 2.79Å; S138-E140 PolarHBondContact OG-N 2.79Å; S138-D141 WeakPolarHBondContact CB-OD2 3.2Å; S138-D141 PolarHBondContact O-N 3.36Å; S138-Y142 PolarHBondContact O-N 3.38Å
139	R	83.5	Confident	88.9	Confident	210 Å²	210	57.7 Å²	57.7	79%	0.792	28%	0.277	S	S	*	.	S	Bend	trans	-68.4	-26.5	173.4	-72.5	-177.1	174.6	176.6	-1.7	111.9
140	E	84.4	Confident	89.1	Confident	179 Å²	179	56.8 Å²	56.8	84%	0.836	27%	0.269	S	S	*	.	S	Bend	trans	-71.6	-34.3	179.8	-63	173.4	-179.6	0	0	111.7	S138	S138-E140 PolarHBondContact O-N 2.79Å; S138-E140 PolarHBondContact OG-N 2.79Å
141	D	84.7	Confident	89.3	Confident	41 Å²	41	51.8 Å²	51.8	22%	0.219	25%	0.246	C	C	.	.	S	Bend	trans	-85.7	-11.2	-179.7	-61.9	-27.6	0	0	0	113	K31 T32 V136 S138	K31-D141 WeakPolarHBondContact CA-OD2 3.45Å; K31-D141 HydrophobicContact CB-CB 4.44Å; K31-D141 HydrophobicContact CG-CB 4.24Å; K31-D141 PolarHBondContact NZ-O 2.77Å; T32-D141 PolarHBondContact N-OD2 2.87Å; V136-D141 HydrophobicContact CG1-CB 3.57Å; S138-D141 WeakPolarHBondContact CB-OD2 3.2Å; S138-D141 PolarHBondContact O-N 3.36Å
142	Y	89.2	Confident	89.3	Confident	51 Å²	51	53.4 Å²	53.4	20%	0.2	25%	0.253	C	S	.	.			trans	-77	138.4	-175	175.4	-100.8	0	0	0	111.4	S138 Y223	S138-Y142 PolarHBondContact O-N 3.38Å; Y142-Y223 HydrophobicContact CD2-CE1 4.21Å; Y142-Y223 HydrophobicContact CD2-CE2 4.19Å; Y142-Y223 AromaticContact CD2-CZ 3.83Å; Y142-Y223 HydrophobicContact CE2-CD2 4.06Å; Y142-Y223 HydrophobicContact CE2-CE1 4.26Å; Y142-Y223 AromaticContact CE2-CE2 3.52Å; Y142-Y223 HydrophobicContact CE2-CE2 3.52Å; Y142-Y223 AromaticContact CE2-CZ 3.66Å
143	S	90.1	Very high	89.3	Confident	43 Å²	43	53.1 Å²	53.1	30%	0.301	25%	0.252	S	S	.	.			trans	-130.2	143.8	176.2	59.5	0	0	0	0	110.5	P100 N101 F145	P100-S143 WeakPolarHBondContact CB-OG 3.26Å; N101-S143 PolarHBondContact ND2-O 3.44Å; N101-S143 PolarHBondContact OD1-N 2.85Å; N101-S143 PolarHBondContact OD1-O 2.04Å; N101-S143 VanDerWaalsContact OD1-O 3.13Å; N101-S143 PolarHBondContact OD1-OG 2.78Å; S143-F145 PolarHBondContact O-N 2.83Å
144	D	87.3	Confident	89.3	Confident	74 Å²	74	52.7 Å²	52.7	40%	0.396	25%	0.25	S	C	.	.			trans	-66.8	134.1	-179	-62.1	-41.3	0	0	0	110.6	R186	D144-R186 IonicContact OD1-CZ 2.91Å; D144-R186 IonicContact OD1-NH1 2.72Å; D144-R186 PolarHBondContact OD1-NH1 3.03Å; D144-R186 WeakPolarHBondContact OD2-CD 3.36Å; D144-R186 IonicContact OD2-CZ 2.69Å; D144-R186 IonicContact OD2-NE 3.16Å; D144-R186 PolarHBondContact OD2-NE 2.87Å; D144-R186 IonicContact OD2-NH1 3.19Å; D144-R186 PolarHBondContact OD2-NH1 3.29Å; D144-R186 IonicContact OD2-NH2 3.42Å
145	F	90.4	Very high	89.3	Confident	39 Å²	39	54.5 Å²	54.5	17%	0.171	26%	0.257	C	S	.	.			trans	-120.6	134.7	178	-176	-90.4	0	0	0	110.7	S143 C147 S149 I150 S189 C222 R225	S143-F145 PolarHBondContact O-N 2.83Å; F145-C147 PolarHBondContact O-N 2.84Å; F145-S149 WeakPolarHBondContact CE1-OG 3.46Å; F145-S149 VanDerWaalsContact CZ-OG 3.28Å; F145-S149 WeakPolarHBondContact CZ-OG 3.38Å; F145-I150 HydrophobicContact CD1-CD1 4.45Å; F145-I150 HydrophobicContact CE1-CD1 4.03Å; F145-I150 HydrophobicContact CE1-CG1 4.34Å; F145-S189 WeakPolarHBondContact O-CA 3.49Å; F145-C222 HydrophobicContact CD1-CB 3.97Å; F145-R225 HydrophobicContact CE1-CB 4.3Å; F145-R225 HydrophobicContact CZ-CB 4Å; F145-R225 VanDerWaalsContact CZ-N 3.34Å
146	N	88.9	Confident	89.3	Confident	64 Å²	64	55 Å²	55	34%	0.342	26%	0.26	S	S	.	.			trans	-78.7	120.7	-174.4	-170.3	-24.5	0	0	0	111.8	K148 S149 Q179 N188	N146-K148 PolarHBondContact O-N 2.82Å; N146-K148 WeakPolarHBondContact OD1-CB 3.26Å; N146-K148 PolarHBondContact OD1-N 3.08Å; N146-S149 PolarHBondContact O-N 2.85Å; N146-S149 PolarHBondContact O-OG 2.96Å; N146-Q179 PolarHBondContact OD1-NE2 2.99Å; N146-N188 PolarHBondContact OD1-O 3.04Å
147	C	90.5	Very high	89.4	Confident	4 Å²	4	54.9 Å²	54.9	3%	0.027	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-65.8	-20.3	178.1	-69.3	0	0	0	0	114.5	F145 S149 I150 I151 N188 S189 I190 C222	F145-C147 PolarHBondContact O-N 2.84Å; C147-S149 PolarHBondContact O-N 3.03Å; C147-S149 VanDerWaalsContact O-N 3.07Å; C147-I150 WeakPolarHBondContact O-CA 3.18Å; C147-I150 PolarHBondContact O-N 2.76Å; C147-I151 PolarHBondContact O-N 2.8Å; C147-N188 PolarHBondContact N-O 3.21Å; C147-S189 PolarHBondContact SG-O 3.4Å; C147-S189 VanDerWaalsContact SG-O 3.33Å; C147-I190 VanDerWaalsContact SG-C 3.56Å; C147-I190 PolarHBondContact SG-N 2.92Å; C147-C222 WeakPolarHBondContact CA-SG 3.49Å; C147-C222 HydrophobicContact CB-CB 4.06Å; C147-C222 WeakPolarHBondContact CB-SG 3.44Å; C147-C222 WeakPolarHBondContact SG-CB 3.41Å; C147-C222 CovalentContact SG-SG 2.02Å; C147-C222 PolarHBondContact SG-SG 2.78Å
148	K	89	Confident	89.6	Confident	108 Å²	108	50.6 Å²	50.6	47%	0.47	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-52.6	-33.2	177.4	176.8	164.4	-175.4	127.5	0	112.4	N146 I150 E152	N146-K148 PolarHBondContact O-N 2.82Å; N146-K148 WeakPolarHBondContact OD1-CB 3.26Å; N146-K148 PolarHBondContact OD1-N 3.08Å; K148-I150 VanDerWaalsContact C-N 3.26Å; K148-I150 PolarHBondContact O-N 3.24Å; K148-E152 WeakPolarHBondContact CE-OE2 3.35Å; K148-E152 HydrophobicContact CG-CB 4.44Å; K148-E152 WeakPolarHBondContact CG-OE2 3.43Å; K148-E152 VanDerWaalsContact NZ-CD 3.31Å; K148-E152 IonicContact NZ-OE1 2.76Å; K148-E152 PolarHBondContact NZ-OE1 3.23Å; K148-E152 IonicContact NZ-OE2 2.99Å; K148-E152 PolarHBondContact NZ-OE2 2.9Å
149	S	87.1	Confident	90	Very high	45 Å²	45	49.1 Å²	49.1	32%	0.315	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-68.8	-23.3	176.5	66.8	0	0	0	0	112.6	F145 N146 C147 R225	F145-S149 WeakPolarHBondContact CE1-OG 3.46Å; F145-S149 VanDerWaalsContact CZ-OG 3.28Å; F145-S149 WeakPolarHBondContact CZ-OG 3.38Å; N146-S149 PolarHBondContact O-N 2.85Å; N146-S149 PolarHBondContact O-OG 2.96Å; C147-S149 PolarHBondContact O-N 3.03Å; C147-S149 VanDerWaalsContact O-N 3.07Å; S149-R225 WeakPolarHBondContact O-CD 3.03Å; S149-R225 PolarHBondContact O-NE 3.31Å; S149-R225 PolarHBondContact O-NH1 2.71Å
150	I	91.4	Very high	90.2	Very high	11 Å²	11	43.5 Å²	43.5	6%	0.056	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-66.1	-177.8	-60.6	167.2	0	0	0	110.6	F145 C147 K148 C222 R225 A235 L251 W266	F145-I150 HydrophobicContact CD1-CD1 4.45Å; F145-I150 HydrophobicContact CE1-CD1 4.03Å; F145-I150 HydrophobicContact CE1-CG1 4.34Å; C147-I150 WeakPolarHBondContact O-CA 3.18Å; C147-I150 PolarHBondContact O-N 2.76Å; K148-I150 VanDerWaalsContact C-N 3.26Å; K148-I150 PolarHBondContact O-N 3.24Å; I150-C222 HydrophobicContact CD1-CB 3.86Å; I150-R225 HydrophobicContact CG1-CB 4.01Å; I150-A235 HydrophobicContact CB-CB 4.35Å; I150-A235 HydrophobicContact CD1-CB 3.84Å; I150-A235 HydrophobicContact CG1-CB 3.72Å; I150-A235 HydrophobicContact CG2-CB 3.72Å; I150-L251 HydrophobicContact CG2-CD1 4.22Å; I150-W266 HydrophobicContact CG2-CH2 4.09Å; I150-W266 HydrophobicContact CG2-CZ2 4.48Å
151	I	90.4	Very high	90.2	Very high	15 Å²	15	35.5 Å²	35.5	8%	0.077	18%	0.176	C	C	.	.			trans	-142.8	133	179.8	-67.7	166.3	0	0	0	106.9	C147 Y155 I175 A177 L191 W266 L289	C147-I151 PolarHBondContact O-N 2.8Å; I151-Y155 HydrophobicContact CG2-CD2 3.77Å; I151-Y155 HydrophobicContact CG2-CE2 3.64Å; I151-I175 HydrophobicContact CG2-CG2 4.19Å; I151-A177 HydrophobicContact CG2-CB 4.07Å; I151-A177 WeakPolarHBondContact O-CB 3.47Å; I151-L191 HydrophobicContact CB-CD1 4.45Å; I151-L191 HydrophobicContact CG2-CD1 4.34Å; I151-W266 HydrophobicContact CG1-CZ2 4.22Å; I151-L289 HydrophobicContact CD1-CD2 4.1Å
152	E	90.4	Very high	89.9	Confident	85 Å²	85	37.3 Å²	37.3	40%	0.397	19%	0.189	S	C	.	.			trans	-129.6	128.1	175.6	-179.5	177.4	-156.6	0	0	108.6	K148 Y155	K148-E152 WeakPolarHBondContact CE-OE2 3.35Å; K148-E152 HydrophobicContact CG-CB 4.44Å; K148-E152 WeakPolarHBondContact CG-OE2 3.43Å; K148-E152 VanDerWaalsContact NZ-CD 3.31Å; K148-E152 IonicContact NZ-OE1 2.76Å; K148-E152 PolarHBondContact NZ-OE1 3.23Å; K148-E152 IonicContact NZ-OE2 2.99Å; K148-E152 PolarHBondContact NZ-OE2 2.9Å; E152-Y155 VanDerWaalsContact O-CE2 3.3Å; E152-Y155 WeakPolarHBondContact O-CE2 3.27Å; E152-Y155 PolarHBondContact O-OH 3.39Å
153	G	92.1	Very high	89.1	Confident	3 Å²	3	38.2 Å²	38.2	3%	0.031	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	110.4	-155	176.9	0	0	0	0	0	115.8	A177 G367	G153-A177 PolarHBondContact N-O 2.98Å; G153-A177 PolarHBondContact O-N 3.01Å; G153-G367 CarbonylContact C-O 3.59Å; G153-G367 WeakPolarHBondContact CA-O 3.14Å
154	V	93.9	Very high	88.1	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	122.5	-175.4	-176.1	0	0	0	0	110.2	L174 I175 K176 A292 D294 G367	V154-L174 HydrophobicContact CG1-CD1 3.65Å; V154-L174 HydrophobicContact CG1-CD2 4.18Å; V154-L174 HydrophobicContact CG1-CG 4.12Å; V154-I175 WeakPolarHBondContact CA-O 3.46Å; V154-K176 HydrophobicContact CG2-CG 4.46Å; V154-A292 HydrophobicContact CG1-CB 4.5Å; V154-A292 PolarHBondContact O-N 3.42Å; V154-D294 HydrophobicContact CG2-CB 4.32Å; V154-G367 PolarHBondContact N-O 3.33Å; V154-G367 WeakPolarHBondContact O-CA 3.32Å
155	Y	94.8	Very high	87.4	Confident	37 Å²	37	40.8 Å²	40.8	15%	0.145	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	126.6	-177.6	-64.1	-89.4	0	0	0	110.5	I151 E152 L174 I175 Y264 L289 R290 P291	I151-Y155 HydrophobicContact CG2-CD2 3.77Å; I151-Y155 HydrophobicContact CG2-CE2 3.64Å; E152-Y155 VanDerWaalsContact O-CE2 3.3Å; E152-Y155 WeakPolarHBondContact O-CE2 3.27Å; E152-Y155 PolarHBondContact O-OH 3.39Å; Y155-L174 CarbonylContact O-C 3.6Å; Y155-L174 WeakPolarHBondContact O-CA 3.48Å; Y155-I175 PolarHBondContact N-O 2.82Å; Y155-I175 PolarHBondContact O-N 3.02Å; Y155-Y264 HydrophobicContact CD1-CD2 4.41Å; Y155-Y264 AromaticContact CE1-CD2 3.83Å; Y155-Y264 HydrophobicContact CE1-CD2 3.83Å; Y155-Y264 AromaticContact CE1-CE2 3.87Å; Y155-Y264 HydrophobicContact CE1-CE2 3.87Å; Y155-L289 HydrophobicContact CD1-CB 4.09Å; Y155-L289 HydrophobicContact CG-CB 4.33Å; Y155-L289 HydrophobicContact CG-CD2 4.18Å; Y155-R290 CarbonylContact C-O 3.54Å; Y155-R290 VanDerWaalsContact CA-O 3.28Å; Y155-R290 WeakPolarHBondContact CA-O 3.4Å; Y155-P291 HydrophobicContact CD1-CG 4.45Å; Y155-P291 HydrophobicContact CE1-CG 4.12Å
156	A	94.7	Very high	86.9	Confident	10 Å²	10	40.4 Å²	40.4	8%	0.083	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	142.3	159.9	0	0	0	0	0	107.5	S173 L289 R290 A292	A156-S173 WeakPolarHBondContact CA-O 3.35Å; A156-L289 CarbonylContact O-C 3.57Å; A156-L289 WeakPolarHBondContact O-CA 3.18Å; A156-R290 HydrophobicContact CB-CG 3.94Å; A156-R290 PolarHBondContact N-O 2.81Å; A156-R290 WeakPolarHBondContact O-CG 3.31Å; A156-R290 PolarHBondContact O-N 2.82Å; A156-A292 HydrophobicContact CB-CB 3.72Å
157	F	94.5	Very high	86.8	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	138.6	179.1	71.7	-86.1	0	0	0	112.2	Y159 S173 I175 Q193 T194 F195 L287 E288 L289	F157-Y159 HydrophobicContact CD2-CD1 4.16Å; F157-Y159 AromaticContact CE2-CD1 3.69Å; F157-Y159 HydrophobicContact CE2-CD1 3.69Å; F157-Y159 HydrophobicContact CE2-CG 4.2Å; F157-S173 PolarHBondContact N-O 3.3Å; F157-S173 VanDerWaalsContact N-O 3.09Å; F157-S173 WeakPolarHBondContact O-CB 3.13Å; F157-I175 HydrophobicContact CB-CD1 4.43Å; F157-I175 HydrophobicContact CD1-CB 4.43Å; F157-I175 HydrophobicContact CD1-CD1 3.69Å; F157-I175 HydrophobicContact CD1-CG1 3.57Å; F157-I175 HydrophobicContact CE1-CD1 4.12Å; F157-I175 HydrophobicContact CE1-CG1 3.69Å; F157-I175 HydrophobicContact CG-CD1 4.07Å; F157-I175 HydrophobicContact CG-CG1 4.43Å; F157-Q193 HydrophobicContact CE1-CG 3.96Å; F157-Q193 HydrophobicContact CZ-CG 3.93Å; F157-T194 VanDerWaalsContact CE1-O 3.28Å; F157-T194 WeakPolarHBondContact CE1-O 3.25Å; F157-T194 WeakPolarHBondContact CZ-O 3.05Å; F157-F195 AromaticContact CE2-CD1 3.85Å; F157-F195 HydrophobicContact CE2-CD1 3.85Å; F157-F195 AromaticContact CE2-CE1 3.79Å; F157-F195 HydrophobicContact CE2-CE1 3.79Å; F157-F195 AromaticContact CZ-CD1 3.86Å; F157-F195 HydrophobicContact CZ-CD1 3.86Å; F157-F195 AromaticContact CZ-CE1 3.99Å; F157-F195 HydrophobicContact CZ-CE1 3.99Å; F157-F195 HydrophobicContact CZ-CG 4.22Å; F157-F195 HydrophobicContact CZ-CZ 4.45Å; F157-L287 HydrophobicContact CD2-CD2 3.84Å; F157-L287 HydrophobicContact CE2-CD2 3.97Å; F157-E288 CarbonylContact C-O 3.6Å; F157-E288 VanDerWaalsContact CA-O 3.23Å; F157-E288 WeakPolarHBondContact CA-O 3.29Å; F157-L289 HydrophobicContact CB-CD1 4.29Å; F157-L289 HydrophobicContact CB-CG 4.04Å
158	D	92.6	Very high	86.7	Confident	13 Å²	13	41 Å²	41	7%	0.07	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	144	167.1	-59.5	-17.8	0	0	0	107.2	L167 C168 S169 E288 R290	D158-L167 HydrophobicContact CB-CD1 3.91Å; D158-L167 HydrophobicContact CB-CD2 4Å; D158-L167 HydrophobicContact CB-CG 4.01Å; D158-C168 WeakPolarHBondContact CA-O 3.49Å; D158-S169 WeakPolarHBondContact OD1-CA 3.41Å; D158-S169 WeakPolarHBondContact OD1-CB 3.47Å; D158-S169 PolarHBondContact OD1-OG 3.03Å; D158-S169 PolarHBondContact OD2-OG 3.39Å; D158-E288 HydrophobicContact CB-CB 4.48Å; D158-E288 PolarHBondContact N-O 3.34Å; D158-E288 PolarHBondContact O-N 2.82Å; D158-R290 IonicContact OD1-CZ 3.9Å; D158-R290 IonicContact OD1-NH1 2.82Å; D158-R290 IonicContact OD1-NH2 3.67Å; D158-R290 PolarHBondContact OD1-NH2 2.85Å; D158-R290 IonicContact OD2-CZ 3.94Å; D158-R290 IonicContact OD2-NH1 2.74Å; D158-R290 PolarHBondContact OD2-NH1 2.85Å; D158-R290 IonicContact OD2-NH2 3.38Å
159	Y	90.6	Very high	86.8	Confident	0 Å²	0	39 Å²	39	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	147.4	-174.2	67.7	-91.1	0	0	0	113.1	F157 I161 C168 F195 G196 F201 I206 F214 R286	F157-Y159 HydrophobicContact CD2-CD1 4.16Å; F157-Y159 AromaticContact CE2-CD1 3.69Å; F157-Y159 HydrophobicContact CE2-CD1 3.69Å; F157-Y159 HydrophobicContact CE2-CG 4.2Å; Y159-I161 HydrophobicContact CD2-CD1 4.31Å; Y159-I161 HydrophobicContact CD2-CG1 4.17Å; Y159-I161 HydrophobicContact CE2-CD1 4.23Å; Y159-C168 HydrophobicContact CD1-CB 4.34Å; Y159-C168 HydrophobicContact CD2-CB 4.37Å; Y159-C168 HydrophobicContact CE1-CB 3.9Å; Y159-C168 WeakPolarHBondContact CE1-SG 3.5Å; Y159-C168 HydrophobicContact CE2-CB 3.91Å; Y159-C168 PolarHBondContact N-O 2.69Å; Y159-C168 PolarHBondContact O-N 3.44Å; Y159-C168 PolarHBondContact OH-SG 2.94Å; Y159-F195 HydrophobicContact CD1-CD1 4.01Å; Y159-F195 HydrophobicContact CD1-CE1 4.46Å; Y159-F195 AromaticContact CE1-CD1 3.97Å; Y159-F195 HydrophobicContact CE1-CD1 3.97Å; Y159-F195 HydrophobicContact CG-CD1 4.31Å; Y159-F195 HydrophobicContact CG-CE1 4.39Å; Y159-G196 PolarHBondContact OH-O 2.03Å; Y159-F201 HydrophobicContact CD2-CZ 4.42Å; Y159-F201 HydrophobicContact CE2-CE1 4.03Å; Y159-F201 HydrophobicContact CE2-CE2 4.4Å; Y159-F201 AromaticContact CE2-CZ 3.94Å; Y159-F201 HydrophobicContact CE2-CZ 3.94Å; Y159-I206 HydrophobicContact CE2-CD1 4.38Å; Y159-F214 WeakPolarHBondContact OH-CE1 3.49Å; Y159-R286 CarbonylContact C-O 3.6Å; Y159-R286 VanDerWaalsContact CA-O 3.27Å; Y159-R286 WeakPolarHBondContact CA-O 3.41Å
160	R	87.8	Confident	86.9	Confident	92 Å²	92	37.2 Å²	37.2	35%	0.347	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	129.7	175.4	178.6	174.6	72.8	163.2	4	109.8	L167 R286	R160-L167 HydrophobicContact CB-CD1 4.3Å; R160-R286 HydrophobicContact CB-CB 4.38Å; R160-R286 VanDerWaalsContact CZ-NH1 3.33Å; R160-R286 PolarHBondContact N-O 3.11Å; R160-R286 PolarHBondContact O-N 3.19Å
161	I	84.2	Confident	86.7	Confident	10 Å²	10	41.8 Å²	41.8	5%	0.051	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	138.9	176.2	-55.3	176.9	0	0	0	108.4	Y159 G163 S164 F201 I206 I212 P284 I285	Y159-I161 HydrophobicContact CD2-CD1 4.31Å; Y159-I161 HydrophobicContact CD2-CG1 4.17Å; Y159-I161 HydrophobicContact CE2-CD1 4.23Å; I161-G163 PolarHBondContact O-N 2.03Å; I161-S164 WeakPolarHBondContact O-CB 3.22Å; I161-S164 PolarHBondContact O-N 2.9Å; I161-F201 HydrophobicContact CB-CZ 4.3Å; I161-F201 HydrophobicContact CD1-CE1 4.14Å; I161-F201 HydrophobicContact CD1-CZ 4.26Å; I161-F201 HydrophobicContact CG1-CZ 4.2Å; I161-I206 HydrophobicContact CD1-CD1 3.76Å; I161-I206 HydrophobicContact CD1-CG1 3.57Å; I161-I212 HydrophobicContact CD1-CD1 4.47Å; I161-P284 CarbonylContact C-O 3.5Å; I161-P284 WeakPolarHBondContact CA-O 3.16Å; I161-I285 HydrophobicContact CG1-CG1 4.45Å
162	V	77.5	Confident	86.7	Confident	80 Å²	80	48.4 Å²	48.4	49%	0.485	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	127.5	174.7	170	0	0	0	0	109.2	P284	V162-P284 WeakPolarHBondContact CG2-O 3.38Å; V162-P284 PolarHBondContact N-O 2.96Å
163	G	72.5	Confident	86.8	Confident	70 Å²	70	44.4 Å²	44.4	72%	0.722	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.7	-21.7	-171.2	0	0	0	0	0	113.6	I161	I161-G163 PolarHBondContact O-N 2.03Å
164	S	70.6	Confident	86.9	Confident	24 Å²	24	45.5 Å²	45.5	17%	0.168	27%	0.273	C	S	.	.			trans	-73.8	150.7	177.4	-157	0	0	0	0	113.5	I161 G166 F201 D203	I161-S164 WeakPolarHBondContact O-CB 3.22Å; I161-S164 PolarHBondContact O-N 2.9Å; S164-G166 VanDerWaalsContact C-N 3.32Å; S164-G166 PolarHBondContact O-N 2.84Å; S164-F201 WeakPolarHBondContact OG-CE2 3.37Å; S164-F201 WeakPolarHBondContact OG-CZ 3.48Å; S164-D203 WeakPolarHBondContact CA-OD1 3.3Å; S164-D203 VanDerWaalsContact CA-OD2 3.27Å; S164-D203 WeakPolarHBondContact CA-OD2 3.48Å; S164-D203 WeakPolarHBondContact CB-OD2 3.37Å; S164-D203 PolarHBondContact OG-OD2 3.42Å
165	T	70.7	Confident	86.9	Confident	147 Å²	147	45.6 Å²	45.6	90%	0.902	27%	0.274	S	S	*	.	S	Bend	trans	-82.4	-0.1	175	53.2	0	0	0	0	114.2
166	G	81.4	Confident	86.8	Confident	31 Å²	31	45.6 Å²	45.6	32%	0.32	28%	0.275	S	S	.	.	S	Bend	trans	-171.7	-171.5	-179.4	0	0	0	0	0	116.9	S164	S164-G166 VanDerWaalsContact C-N 3.32Å; S164-G166 PolarHBondContact O-N 2.84Å
167	L	87.1	Confident	86.6	Confident	78 Å²	78	45.4 Å²	45.4	41%	0.408	27%	0.273	S	S	.	.			trans	-90.5	131.1	171	-178	72.4	0	0	0	108.9	D158 R160	D158-L167 HydrophobicContact CB-CD1 3.91Å; D158-L167 HydrophobicContact CB-CD2 4Å; D158-L167 HydrophobicContact CB-CG 4.01Å; R160-L167 HydrophobicContact CB-CD1 4.3Å
168	C	88.3	Confident	86.3	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.014	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-93.1	116.4	167.7	169.1	0	0	0	0	109.9	D158 Y159 C198 F201	D158-C168 WeakPolarHBondContact CA-O 3.49Å; Y159-C168 HydrophobicContact CD1-CB 4.34Å; Y159-C168 HydrophobicContact CD2-CB 4.37Å; Y159-C168 HydrophobicContact CE1-CB 3.9Å; Y159-C168 WeakPolarHBondContact CE1-SG 3.5Å; Y159-C168 HydrophobicContact CE2-CB 3.91Å; Y159-C168 PolarHBondContact N-O 2.69Å; Y159-C168 PolarHBondContact O-N 3.44Å; Y159-C168 PolarHBondContact OH-SG 2.94Å; C168-C198 VanDerWaalsContact CA-SG 3.54Å; C168-C198 HydrophobicContact CB-CB 3.89Å; C168-C198 WeakPolarHBondContact CB-SG 3.32Å; C168-C198 WeakPolarHBondContact SG-CB 3.23Å; C168-C198 CovalentContact SG-SG 2.04Å; C168-C198 PolarHBondContact SG-SG 3.06Å; C168-F201 HydrophobicContact CB-CD2 3.58Å; C168-F201 HydrophobicContact CB-CE2 3.89Å; C168-F201 HydrophobicContact CB-CG 4.13Å
169	S	89.9	Confident	85.5	Confident	67 Å²	67	49.1 Å²	49.1	47%	0.469	29%	0.292	S	S	.	.			trans	-109.4	111.7	171.2	-59.6	0	0	0	0	108.9	D158	D158-S169 WeakPolarHBondContact OD1-CA 3.41Å; D158-S169 WeakPolarHBondContact OD1-CB 3.47Å; D158-S169 PolarHBondContact OD1-OG 3.03Å; D158-S169 PolarHBondContact OD2-OG 3.39Å
170	S	90.2	Very high	84.6	Confident	6 Å²	6	56.5 Å²	56.5	4%	0.042	32%	0.32	C	S	.	.			trans	-129.4	135.5	178.3	-173.3	0	0	0	0	109.8	F172 S173 G196 Y197	S170-F172 PolarHBondContact O-N 2.85Å; S170-S173 WeakPolarHBondContact O-CB 3.31Å; S170-S173 PolarHBondContact O-N 2.67Å; S170-S173 VanDerWaalsContact O-N 3.16Å; S170-G196 WeakPolarHBondContact OG-CA 3.45Å; S170-Y197 PolarHBondContact OG-O 2.82Å
171	P	87.1	Confident	83.4	Confident	108 Å²	108	59.9 Å²	59.9	70%	0.701	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-16.2	179.1	29.2	-35.8	0	0	0	112.9
172	F	89.7	Confident	82.3	Confident	154 Å²	154	63.5 Å²	63.5	68%	0.675	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-5.9	178.4	-55.3	-69	0	0	0	113.2	S170 L174	S170-F172 PolarHBondContact O-N 2.85Å; F172-L174 PolarHBondContact O-N 3.24Å
173	S	93.1	Very high	81.7	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	37%	0.368	C	S	.	.			trans	-76.2	104.3	174	-67.7	0	0	0	0	109.7	A156 F157 S170 T194 G196	A156-S173 WeakPolarHBondContact CA-O 3.35Å; F157-S173 PolarHBondContact N-O 3.3Å; F157-S173 VanDerWaalsContact N-O 3.09Å; F157-S173 WeakPolarHBondContact O-CB 3.13Å; S170-S173 WeakPolarHBondContact O-CB 3.31Å; S170-S173 PolarHBondContact O-N 2.67Å; S170-S173 VanDerWaalsContact O-N 3.16Å; S173-T194 CarbonylContact C-O 3.58Å; S173-T194 VanDerWaalsContact CA-O 3.27Å; S173-T194 WeakPolarHBondContact CA-O 3.34Å; S173-G196 WeakPolarHBondContact OG-CA 3.02Å; S173-G196 PolarHBondContact OG-N 2.89Å
174	L	94.4	Very high	81.1	Confident	26 Å²	26	64.3 Å²	64.3	14%	0.136	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	137.2	-172.9	-163.1	76.9	0	0	0	111.7	V154 Y155 F172 Q193 T194 A292 P295	V154-L174 HydrophobicContact CG1-CD1 3.65Å; V154-L174 HydrophobicContact CG1-CD2 4.18Å; V154-L174 HydrophobicContact CG1-CG 4.12Å; Y155-L174 CarbonylContact O-C 3.6Å; Y155-L174 WeakPolarHBondContact O-CA 3.48Å; F172-L174 PolarHBondContact O-N 3.24Å; L174-Q193 CarbonylContact O-C 3.55Å; L174-Q193 WeakPolarHBondContact O-CA 3.34Å; L174-T194 PolarHBondContact N-O 2.79Å; L174-T194 PolarHBondContact O-N 2.78Å; L174-A292 HydrophobicContact CD1-CB 4.43Å; L174-P295 HydrophobicContact CD2-CG 4.31Å
175	I	94.2	Very high	80.7	Confident	3 Å²	3	68.4 Å²	68.4	2%	0.015	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126.2	166.2	-70.5	164.6	0	0	0	107.8	I151 V154 Y155 F157 L191 E192 Q193 L289	I151-I175 HydrophobicContact CG2-CG2 4.19Å; V154-I175 WeakPolarHBondContact CA-O 3.46Å; Y155-I175 PolarHBondContact N-O 2.82Å; Y155-I175 PolarHBondContact O-N 3.02Å; F157-I175 HydrophobicContact CB-CD1 4.43Å; F157-I175 HydrophobicContact CD1-CB 4.43Å; F157-I175 HydrophobicContact CD1-CD1 3.69Å; F157-I175 HydrophobicContact CD1-CG1 3.57Å; F157-I175 HydrophobicContact CE1-CD1 4.12Å; F157-I175 HydrophobicContact CE1-CG1 3.69Å; F157-I175 HydrophobicContact CG-CD1 4.07Å; F157-I175 HydrophobicContact CG-CG1 4.43Å; I175-L191 HydrophobicContact CG2-CD1 3.33Å; I175-L191 HydrophobicContact CG2-CD2 4.24Å; I175-L191 HydrophobicContact CG2-CG 4.01Å; I175-E192 CarbonylContact C-O 3.5Å; I175-E192 VanDerWaalsContact CA-O 3.3Å; I175-E192 WeakPolarHBondContact CA-O 3.47Å; I175-Q193 HydrophobicContact CD1-CG 4.44Å; I175-Q193 HydrophobicContact CG1-CB 4.15Å; I175-Q193 HydrophobicContact CG1-CG 3.77Å; I175-L289 HydrophobicContact CD1-CD2 3.95Å; I175-L289 HydrophobicContact CD1-CG 4.18Å
176	K	92	Very high	80.5	Confident	37 Å²	37	68.7 Å²	68.7	16%	0.161	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	113.2	-177.7	-176.9	176.4	-177.4	164.9	0	109.7	V154 C178 E192 D294	V154-K176 HydrophobicContact CG2-CG 4.46Å; K176-C178 HydrophobicContact CG-CB 4.4Å; K176-C178 WeakPolarHBondContact CG-SG 3.1Å; K176-E192 HydrophobicContact CB-CB 4.25Å; K176-E192 PolarHBondContact N-O 3.2Å; K176-E192 PolarHBondContact O-N 2.84Å; K176-D294 WeakPolarHBondContact CE-OD2 3.28Å; K176-D294 IonicContact NZ-OD1 2.89Å; K176-D294 IonicContact NZ-OD2 2.76Å; K176-D294 PolarHBondContact NZ-OD2 3.08Å
177	A	90.7	Very high	80.2	Confident	5 Å²	5	68.6 Å²	68.6	4%	0.041	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	62.8	-178.4	0	0	0	0	0	109.7	I151 G153 L191	I151-A177 HydrophobicContact CG2-CB 4.07Å; I151-A177 WeakPolarHBondContact O-CB 3.47Å; G153-A177 PolarHBondContact N-O 2.98Å; G153-A177 PolarHBondContact O-N 3.01Å; A177-L191 HydrophobicContact CB-CD1 3.45Å; A177-L191 VanDerWaalsContact CB-CD1 3.45Å
178	C	87.1	Confident	79.9	Confident	27 Å²	27	68.3 Å²	68.3	18%	0.182	37%	0.369	C	S	.	.			trans	-99.3	122.6	-171.5	-60.4	0	0	0	0	112.1	K176 C369	K176-C178 HydrophobicContact CG-CB 4.4Å; K176-C178 WeakPolarHBondContact CG-SG 3.1Å; C178-C369 WeakPolarHBondContact CA-SG 3.44Å; C178-C369 HydrophobicContact CB-CB 3.51Å; C178-C369 WeakPolarHBondContact CB-SG 3.41Å; C178-C369 WeakPolarHBondContact SG-CB 3.44Å; C178-C369 CovalentContact SG-SG 2.01Å; C178-C369 PolarHBondContact SG-SG 3.37Å
179	Q	77.3	Confident	79.9	Confident	64 Å²	64	68.4 Å²	68.4	30%	0.299	37%	0.37	S	S	.	.			trans	-92.1	123.2	174.1	-52.6	-165.1	-10.5	0	0	109.7	N146 N188	N146-Q179 PolarHBondContact OD1-NE2 2.99Å; Q179-N188 HydrophobicContact CG-CB 4.23Å
180	R	70.4	Confident	79.9	Confident	156 Å²	156	67.6 Å²	67.6	59%	0.589	36%	0.36	S	S	*	.			trans	-92.4	115.8	173.3	-66.9	-174.7	-167.9	121.5	-5.4	109.4	G182 S183 D187	R180-G182 PolarHBondContact O-N 2.6Å; R180-S183 WeakPolarHBondContact O-CB 3.32Å; R180-S183 PolarHBondContact O-N 2.93Å; R180-D187 IonicContact CZ-OD2 2.89Å; R180-D187 IonicContact NH1-OD2 2.69Å; R180-D187 PolarHBondContact NH1-OD2 3.21Å
181	Q	62.4	Low	79.9	Confident	163 Å²	163	67.5 Å²	67.5	76%	0.762	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	128.2	174.7	-61.8	-175.3	27.9	0	0	109.9	S183	Q181-S183 VanDerWaalsContact C-N 3.28Å; Q181-S183 PolarHBondContact O-N 2.83Å
182	G	62.4	Low	80.2	Confident	85 Å²	85	65.8 Å²	65.8	88%	0.876	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	8.6	179.4	0	0	0	0	0	115.9	R180	R180-G182 PolarHBondContact O-N 2.6Å
183	S	64.7	Low	80.3	Confident	35 Å²	35	58.5 Å²	58.5	25%	0.245	31%	0.31	C	S	.	.			trans	-65.8	130.7	172.6	-173	0	0	0	0	110.2	R180 Q181 L185 D187	R180-S183 WeakPolarHBondContact O-CB 3.32Å; R180-S183 PolarHBondContact O-N 2.93Å; Q181-S183 VanDerWaalsContact C-N 3.28Å; Q181-S183 PolarHBondContact O-N 2.83Å; S183-L185 PolarHBondContact O-N 2.89Å; S183-L185 WeakPolarHBondContact OG-CB 3.06Å; S183-L185 PolarHBondContact OG-N 2.65Å; S183-D187 WeakPolarHBondContact CB-OD2 3.16Å; S183-D187 PolarHBondContact OG-OD2 3.33Å
184	P	59.9	Low	80.3	Confident	132 Å²	132	59.7 Å²	59.7	86%	0.857	32%	0.317	S	S	*	.	S	Bend	trans	-70.7	-13.5	170.4	30.6	-34.6	0	0	0	112
185	L	61.6	Low	80.1	Confident	111 Å²	111	58.5 Å²	58.5	58%	0.581	31%	0.311	S	S	*	.	S	Bend	trans	-82.5	141.5	177.1	-60.4	164.4	0	0	0	109.1	S183 D187	S183-L185 PolarHBondContact O-N 2.89Å; S183-L185 WeakPolarHBondContact OG-CB 3.06Å; S183-L185 PolarHBondContact OG-N 2.65Å; L185-D187 WeakPolarHBondContact CB-OD1 3.3Å; L185-D187 PolarHBondContact O-N 2.58Å
186	R	67.7	Low	79.8	Confident	153 Å²	153	58.4 Å²	58.4	58%	0.577	31%	0.311	S	S	*	.			trans	-70.3	45.7	178.8	-64.6	-175.3	179.4	-170.3	-2.3	112.9	D144 N188 S189	D144-R186 IonicContact OD1-CZ 2.91Å; D144-R186 IonicContact OD1-NH1 2.72Å; D144-R186 PolarHBondContact OD1-NH1 3.03Å; D144-R186 WeakPolarHBondContact OD2-CD 3.36Å; D144-R186 IonicContact OD2-CZ 2.69Å; D144-R186 IonicContact OD2-NE 3.16Å; D144-R186 PolarHBondContact OD2-NE 2.87Å; D144-R186 IonicContact OD2-NH1 3.19Å; D144-R186 PolarHBondContact OD2-NH1 3.29Å; D144-R186 IonicContact OD2-NH2 3.42Å; R186-N188 PolarHBondContact O-N 2.75Å; R186-S189 PolarHBondContact O-N 3.07Å; R186-S189 VanDerWaalsContact O-N 3.16Å; R186-S189 PolarHBondContact O-OG 2.96Å
187	D	73.4	Confident	79.5	Confident	29 Å²	29	63.5 Å²	63.5	16%	0.155	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-63.3	-23.7	-172.6	-66.2	-16.5	0	0	0	111.9	R180 S183 L185 S189	R180-D187 IonicContact CZ-OD2 2.89Å; R180-D187 IonicContact NH1-OD2 2.69Å; R180-D187 PolarHBondContact NH1-OD2 3.21Å; S183-D187 WeakPolarHBondContact CB-OD2 3.16Å; S183-D187 PolarHBondContact OG-OD2 3.33Å; L185-D187 WeakPolarHBondContact CB-OD1 3.3Å; L185-D187 PolarHBondContact O-N 2.58Å; D187-S189 VanDerWaalsContact C-N 3.27Å; D187-S189 PolarHBondContact O-N 2.8Å
188	N	81.8	Confident	79.2	Confident	71 Å²	71	64 Å²	64	38%	0.38	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-73.5	-13.4	178.5	66.3	-18.7	0	0	0	114.7	N146 C147 Q179 R186	N146-N188 PolarHBondContact OD1-O 3.04Å; C147-N188 PolarHBondContact N-O 3.21Å; Q179-N188 HydrophobicContact CG-CB 4.23Å; R186-N188 PolarHBondContact O-N 2.75Å
189	S	87.5	Confident	78.7	Confident	4 Å²	4	67.1 Å²	67.1	3%	0.028	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-101.4	3.8	-179.4	67.1	0	0	0	0	113.6	F145 C147 R186 D187 R221 C222	F145-S189 WeakPolarHBondContact O-CA 3.49Å; C147-S189 PolarHBondContact SG-O 3.4Å; C147-S189 VanDerWaalsContact SG-O 3.33Å; R186-S189 PolarHBondContact O-N 3.07Å; R186-S189 VanDerWaalsContact O-N 3.16Å; R186-S189 PolarHBondContact O-OG 2.96Å; D187-S189 VanDerWaalsContact C-N 3.27Å; D187-S189 PolarHBondContact O-N 2.8Å; S189-R221 CarbonylContact O-C 3.49Å; S189-R221 WeakPolarHBondContact O-CA 3.37Å; S189-C222 PolarHBondContact O-N 3.46Å
190	I	90.4	Very high	78.4	Confident	50 Å²	50	71.4 Å²	71.4	26%	0.256	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	144.3	-169	-62.2	174.1	0	0	0	111.1	C147 I219 W220 R221	C147-I190 VanDerWaalsContact SG-C 3.56Å; C147-I190 PolarHBondContact SG-N 2.92Å; I190-I219 HydrophobicContact CG2-CG2 3.29Å; I190-W220 CarbonylContact C-O 3.46Å; I190-W220 WeakPolarHBondContact CA-O 3.37Å; I190-R221 HydrophobicContact CG1-CG 4.37Å
191	L	91.1	Very high	78.3	Confident	5 Å²	5	65 Å²	65	3%	0.026	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	129.7	174.1	177.8	75.9	0	0	0	108.4	I151 I175 A177 W220	I151-L191 HydrophobicContact CB-CD1 4.45Å; I151-L191 HydrophobicContact CG2-CD1 4.34Å; I175-L191 HydrophobicContact CG2-CD1 3.33Å; I175-L191 HydrophobicContact CG2-CD2 4.24Å; I175-L191 HydrophobicContact CG2-CG 4.01Å; A177-L191 HydrophobicContact CB-CD1 3.45Å; A177-L191 VanDerWaalsContact CB-CD1 3.45Å; L191-W220 HydrophobicContact CB-CB 4.19Å; L191-W220 PolarHBondContact N-O 2.91Å; L191-W220 PolarHBondContact O-N 2.93Å
192	E	91.5	Very high	78.1	Confident	71 Å²	71	65.8 Å²	65.8	33%	0.332	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	127.2	173.8	-172.9	-178.7	173.5	0	0	109.5	I175 K176 A217 N218	I175-E192 CarbonylContact C-O 3.5Å; I175-E192 VanDerWaalsContact CA-O 3.3Å; I175-E192 WeakPolarHBondContact CA-O 3.47Å; K176-E192 HydrophobicContact CB-CB 4.25Å; K176-E192 PolarHBondContact N-O 3.2Å; K176-E192 PolarHBondContact O-N 2.84Å; E192-A217 HydrophobicContact CG-CB 3.68Å; E192-A217 WeakPolarHBondContact OE1-CB 3.29Å; E192-N218 CarbonylContact C-O 3.57Å; E192-N218 WeakPolarHBondContact CA-O 3.28Å
193	Q	92.7	Very high	77.8	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	121.6	178.3	-178.9	178.5	22.6	0	0	110.4	F157 L174 I175 F195 N218 W220	F157-Q193 HydrophobicContact CE1-CG 3.96Å; F157-Q193 HydrophobicContact CZ-CG 3.93Å; L174-Q193 CarbonylContact O-C 3.55Å; L174-Q193 WeakPolarHBondContact O-CA 3.34Å; I175-Q193 HydrophobicContact CD1-CG 4.44Å; I175-Q193 HydrophobicContact CG1-CB 4.15Å; I175-Q193 HydrophobicContact CG1-CG 3.77Å; Q193-F195 HydrophobicContact CG-CD2 4.38Å; Q193-F195 HydrophobicContact CG-CE2 3.91Å; Q193-F195 HydrophobicContact CG-CZ 4.32Å; Q193-F195 VanDerWaalsContact NE2-CZ 3.27Å; Q193-N218 PolarHBondContact N-O 2.85Å; Q193-N218 WeakPolarHBondContact O-CB 3.02Å; Q193-N218 PolarHBondContact O-N 3.17Å; Q193-W220 VanDerWaalsContact OE1-NE1 3.08Å
194	T	92.6	Very high	77.3	Confident	25 Å²	25	69.2 Å²	69.2	15%	0.153	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	126.7	178.3	-57.4	0	0	0	0	109	F157 S173 L174 A217	F157-T194 VanDerWaalsContact CE1-O 3.28Å; F157-T194 WeakPolarHBondContact CE1-O 3.25Å; F157-T194 WeakPolarHBondContact CZ-O 3.05Å; S173-T194 CarbonylContact C-O 3.58Å; S173-T194 VanDerWaalsContact CA-O 3.27Å; S173-T194 WeakPolarHBondContact CA-O 3.34Å; L174-T194 PolarHBondContact N-O 2.79Å; L174-T194 PolarHBondContact O-N 2.78Å; T194-A217 WeakPolarHBondContact OG1-CA 3.38Å
195	F	89.9	Confident	77	Confident	2 Å²	2	64.8 Å²	64.8	1%	0.009	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-92.9	122.9	174.7	-71.5	-93.2	0	0	0	110	F157 Y159 Q193 I212 F214 G215	F157-F195 AromaticContact CE2-CD1 3.85Å; F157-F195 HydrophobicContact CE2-CD1 3.85Å; F157-F195 AromaticContact CE2-CE1 3.79Å; F157-F195 HydrophobicContact CE2-CE1 3.79Å; F157-F195 AromaticContact CZ-CD1 3.86Å; F157-F195 HydrophobicContact CZ-CD1 3.86Å; F157-F195 AromaticContact CZ-CE1 3.99Å; F157-F195 HydrophobicContact CZ-CE1 3.99Å; F157-F195 HydrophobicContact CZ-CG 4.22Å; F157-F195 HydrophobicContact CZ-CZ 4.45Å; Y159-F195 HydrophobicContact CD1-CD1 4.01Å; Y159-F195 HydrophobicContact CD1-CE1 4.46Å; Y159-F195 AromaticContact CE1-CD1 3.97Å; Y159-F195 HydrophobicContact CE1-CD1 3.97Å; Y159-F195 HydrophobicContact CG-CD1 4.31Å; Y159-F195 HydrophobicContact CG-CE1 4.39Å; Q193-F195 HydrophobicContact CG-CD2 4.38Å; Q193-F195 HydrophobicContact CG-CE2 3.91Å; Q193-F195 HydrophobicContact CG-CZ 4.32Å; Q193-F195 VanDerWaalsContact NE2-CZ 3.27Å; F195-I212 HydrophobicContact CB-CG2 4.28Å; F195-I212 HydrophobicContact CD1-CG2 4.09Å; F195-I212 HydrophobicContact CD2-CG2 4.04Å; F195-I212 HydrophobicContact CE1-CG2 4.43Å; F195-I212 HydrophobicContact CE2-CG1 4.3Å; F195-I212 HydrophobicContact CE2-CG2 4.38Å; F195-I212 HydrophobicContact CG-CG2 3.88Å; F195-I212 HydrophobicContact CZ-CG1 4.37Å; F195-F214 HydrophobicContact CB-CD1 4.33Å; F195-F214 WeakPolarHBondContact O-CA 3.21Å; F195-G215 PolarHBondContact O-N 3.28Å
196	G	89.4	Confident	76.6	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.01	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-78.8	145	173.9	0	0	0	0	0	112.2	Y159 S170 S173	Y159-G196 PolarHBondContact OH-O 2.03Å; S170-G196 WeakPolarHBondContact OG-CA 3.45Å; S173-G196 WeakPolarHBondContact OG-CA 3.02Å; S173-G196 PolarHBondContact OG-N 2.89Å
197	Y	85.2	Confident	75.9	Confident	144 Å²	144	60 Å²	60	57%	0.565	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-76.1	137.9	176	178.5	-106.4	0	0	0	111.3	S170 P199 F214	S170-Y197 PolarHBondContact OG-O 2.82Å; Y197-P199 HydrophobicContact CD1-CG 4.49Å; Y197-P199 HydrophobicContact CE1-CB 4.41Å; Y197-P199 HydrophobicContact CE1-CG 4.1Å; Y197-F214 AromaticContact CD2-CD2 3.74Å; Y197-F214 HydrophobicContact CD2-CD2 3.74Å; Y197-F214 AromaticContact CD2-CE2 3.84Å; Y197-F214 HydrophobicContact CD2-CE2 3.84Å; Y197-F214 HydrophobicContact CD2-CG 4.09Å; Y197-F214 HydrophobicContact CD2-CZ 4.28Å; Y197-F214 HydrophobicContact CE2-CE2 4.33Å
198	C	83.6	Confident	75.3	Confident	14 Å²	14	65.9 Å²	65.9	10%	0.095	33%	0.332	C	S	.	.			trans	-121.7	117.6	173.9	-80.8	0	0	0	0	109.9	C168 N200 F201	C168-C198 VanDerWaalsContact CA-SG 3.54Å; C168-C198 HydrophobicContact CB-CB 3.89Å; C168-C198 WeakPolarHBondContact CB-SG 3.32Å; C168-C198 WeakPolarHBondContact SG-CB 3.23Å; C168-C198 CovalentContact SG-SG 2.04Å; C168-C198 PolarHBondContact SG-SG 3.06Å; C198-N200 VanDerWaalsContact C-N 3.28Å; C198-N200 PolarHBondContact O-N 2.8Å; C198-F201 HydrophobicContact CB-CB 3.58Å; C198-F201 WeakPolarHBondContact O-CB 3.01Å; C198-F201 PolarHBondContact O-N 2.84Å
199	P	77.5	Confident	74.8	Confident	94 Å²	94	63.1 Å²	63.1	61%	0.61	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-34.4	-178.1	-26	33.8	0	0	0	114.6	Y197 F201	Y197-P199 HydrophobicContact CD1-CG 4.49Å; Y197-P199 HydrophobicContact CE1-CB 4.41Å; Y197-P199 HydrophobicContact CE1-CG 4.1Å; P199-F201 VanDerWaalsContact C-N 3.27Å; P199-F201 PolarHBondContact O-N 2.92Å
200	N	71.3	Confident	74	Confident	154 Å²	154	65.9 Å²	65.9	82%	0.824	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-4.5	-179.8	-64.3	-14.3	0	0	0	113.1	C198 Q202	C198-N200 VanDerWaalsContact C-N 3.28Å; C198-N200 PolarHBondContact O-N 2.8Å; N200-Q202 PolarHBondContact O-N 2.92Å
201	F	67.3	Low	73.2	Confident	20 Å²	20	63.7 Å²	63.7	9%	0.088	32%	0.324	C	S	.	.			trans	-93.7	76.8	-177.1	-156.4	-90.4	0	0	0	109.1	Y159 I161 S164 C168 C198 P199 D203 I206	Y159-F201 HydrophobicContact CD2-CZ 4.42Å; Y159-F201 HydrophobicContact CE2-CE1 4.03Å; Y159-F201 HydrophobicContact CE2-CE2 4.4Å; Y159-F201 AromaticContact CE2-CZ 3.94Å; Y159-F201 HydrophobicContact CE2-CZ 3.94Å; I161-F201 HydrophobicContact CB-CZ 4.3Å; I161-F201 HydrophobicContact CD1-CE1 4.14Å; I161-F201 HydrophobicContact CD1-CZ 4.26Å; I161-F201 HydrophobicContact CG1-CZ 4.2Å; S164-F201 WeakPolarHBondContact OG-CE2 3.37Å; S164-F201 WeakPolarHBondContact OG-CZ 3.48Å; C168-F201 HydrophobicContact CB-CD2 3.58Å; C168-F201 HydrophobicContact CB-CE2 3.89Å; C168-F201 HydrophobicContact CB-CG 4.13Å; C198-F201 HydrophobicContact CB-CB 3.58Å; C198-F201 WeakPolarHBondContact O-CB 3.01Å; C198-F201 PolarHBondContact O-N 2.84Å; P199-F201 VanDerWaalsContact C-N 3.27Å; P199-F201 PolarHBondContact O-N 2.92Å; F201-D203 HydrophobicContact CD1-CB 4.04Å; F201-D203 HydrophobicContact CE1-CB 3.76Å; F201-D203 WeakPolarHBondContact CE1-OD2 3.41Å; F201-D203 WeakPolarHBondContact CZ-OD2 3.46Å; F201-D203 PolarHBondContact O-N 2.82Å; F201-I206 HydrophobicContact CD1-CD1 3.75Å; F201-I206 HydrophobicContact CE1-CD1 3.48Å; F201-I206 VanDerWaalsContact CE1-CD1 3.48Å; F201-I206 HydrophobicContact CE1-CG1 4.43Å
202	Q	59.2	Low	72.5	Confident	181 Å²	181	64.1 Å²	64.1	85%	0.846	33%	0.326	S	S	*	.			trans	-85.6	75.8	175.3	-68.5	-177.6	-7.6	0	0	109.7	N200	N200-Q202 PolarHBondContact O-N 2.92Å
203	D	56.2	Low	71.7	Confident	29 Å²	29	63.9 Å²	63.9	16%	0.155	33%	0.33	C	S	.	.			trans	-107.5	127.4	175.7	-96.1	-38.5	0	0	0	112.7	S164 F201 S205	S164-D203 WeakPolarHBondContact CA-OD1 3.3Å; S164-D203 VanDerWaalsContact CA-OD2 3.27Å; S164-D203 WeakPolarHBondContact CA-OD2 3.48Å; S164-D203 WeakPolarHBondContact CB-OD2 3.37Å; S164-D203 PolarHBondContact OG-OD2 3.42Å; F201-D203 HydrophobicContact CD1-CB 4.04Å; F201-D203 HydrophobicContact CE1-CB 3.76Å; F201-D203 WeakPolarHBondContact CE1-OD2 3.41Å; F201-D203 WeakPolarHBondContact CZ-OD2 3.46Å; F201-D203 PolarHBondContact O-N 2.82Å; D203-S205 VanDerWaalsContact C-N 3.27Å
204	Q	54.2	Low	71	Confident	163 Å²	163	67 Å²	67	76%	0.762	34%	0.343	S	S	*	.	S	Bend	trans	-68.9	-25.9	169.7	-67	178.2	-8.8	0	0	111.8	I206 L207	Q204-I206 VanDerWaalsContact C-N 3.33Å; Q204-I206 PolarHBondContact O-N 3.14Å; Q204-L207 VanDerWaalsContact O-CB 3.25Å; Q204-L207 WeakPolarHBondContact O-CB 3.4Å; Q204-L207 PolarHBondContact O-N 2.82Å
205	S	52.7	Low	70.4	Confident	38 Å²	38	68.8 Å²	68.8	27%	0.266	37%	0.367	S	S	.	.	H	α-helix	trans	-68.3	-28.2	-178.1	59	0	0	0	0	113.7	D203 L207 E208 D209	D203-S205 VanDerWaalsContact C-N 3.27Å; S205-L207 PolarHBondContact O-N 3.01Å; S205-E208 PolarHBondContact O-N 3.07Å; S205-D209 PolarHBondContact O-N 3.45Å
206	I	54	Low	70.1	Confident	16 Å²	16	73.7 Å²	73.7	8%	0.082	39%	0.388	C	S	.	.	H	α-helix	trans	-67.7	-27.8	170.9	-78.1	175.2	0	0	0	111.5	Y159 I161 F201 Q204 E208 I212 F214	Y159-I206 HydrophobicContact CE2-CD1 4.38Å; I161-I206 HydrophobicContact CD1-CD1 3.76Å; I161-I206 HydrophobicContact CD1-CG1 3.57Å; F201-I206 HydrophobicContact CD1-CD1 3.75Å; F201-I206 HydrophobicContact CE1-CD1 3.48Å; F201-I206 VanDerWaalsContact CE1-CD1 3.48Å; F201-I206 HydrophobicContact CE1-CG1 4.43Å; Q204-I206 VanDerWaalsContact C-N 3.33Å; Q204-I206 PolarHBondContact O-N 3.14Å; I206-E208 PolarHBondContact O-N 3.02Å; I206-I212 HydrophobicContact CG1-CG2 4.3Å; I206-I212 HydrophobicContact CG2-CG2 4.47Å; I206-F214 HydrophobicContact CD1-CE1 3.9Å; I206-F214 HydrophobicContact CD1-CZ 3.52Å; I206-F214 HydrophobicContact CG2-CE2 3.82Å; I206-F214 HydrophobicContact CG2-CZ 3.72Å
207	L	51.7	Low	70	Confident	148 Å²	148	75.2 Å²	75.2	78%	0.775	40%	0.401	S	S	*	.	H	α-helix	trans	-71.5	-19.8	175.6	-56.6	170.5	0	0	0	112.1	Q204 S205	Q204-L207 VanDerWaalsContact O-CB 3.25Å; Q204-L207 WeakPolarHBondContact O-CB 3.4Å; Q204-L207 PolarHBondContact O-N 2.82Å; S205-L207 PolarHBondContact O-N 3.01Å
208	E	62.6	Low	70.2	Confident	152 Å²	152	68.4 Å²	68.4	71%	0.71	37%	0.374	S	S	*	.	H	α-helix	trans	-91.8	-26.5	-179.9	-64.4	-174	172.3	0	0	113.5	S205 I206 P210	S205-E208 PolarHBondContact O-N 3.07Å; I206-E208 PolarHBondContact O-N 3.02Å; E208-P210 VanDerWaalsContact O-CD 3.25Å; E208-P210 WeakPolarHBondContact O-CD 3.41Å
209	D	69.9	Low	70.6	Confident	14 Å²	14	72 Å²	72	8%	0.075	39%	0.391	C	S	.	.			trans	-88.5	105.9	178.3	-165.6	-25.6	0	0	0	110.8	S205 N211 I212 R249	S205-D209 PolarHBondContact O-N 3.45Å; D209-N211 PolarHBondContact O-N 2.93Å; D209-N211 VanDerWaalsContact O-N 3.09Å; D209-N211 WeakPolarHBondContact OD1-CB 3.5Å; D209-N211 PolarHBondContact OD1-N 3.31Å; D209-I212 HydrophobicContact CB-CB 4.46Å; D209-I212 HydrophobicContact CB-CD1 4.09Å; D209-I212 HydrophobicContact CB-CG1 4.13Å; D209-I212 PolarHBondContact O-N 2.77Å; D209-R249 IonicContact OD1-NH2 3.94Å; D209-R249 PolarHBondContact OD1-NH2 3.17Å; D209-R249 IonicContact OD2-CZ 3.51Å; D209-R249 VanDerWaalsContact OD2-CZ 3.29Å; D209-R249 IonicContact OD2-NH1 2.76Å; D209-R249 PolarHBondContact OD2-NH1 3.4Å; D209-R249 IonicContact OD2-NH2 3.27Å; D209-R249 PolarHBondContact OD2-NH2 3.46Å
210	P	70.5	Confident	71.3	Confident	61 Å²	61	67.7 Å²	67.7	40%	0.396	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-15.5	-177.1	30.1	-36.9	0	0	0	113.1	E208 F246	E208-P210 VanDerWaalsContact O-CD 3.25Å; E208-P210 WeakPolarHBondContact O-CD 3.41Å; P210-F246 HydrophobicContact CG-CB 4.33Å; P210-F246 HydrophobicContact CG-CD2 3.69Å; P210-F246 HydrophobicContact CG-CE2 4.09Å; P210-F246 HydrophobicContact CG-CG 3.99Å
211	N	75.2	Confident	72.3	Confident	4 Å²	4	64.3 Å²	64.3	2%	0.021	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-19.4	-179.5	-61.6	-16.9	0	0	0	112.1	D209 V213 N218 Y239 F246 R249	D209-N211 PolarHBondContact O-N 2.93Å; D209-N211 VanDerWaalsContact O-N 3.09Å; D209-N211 WeakPolarHBondContact OD1-CB 3.5Å; D209-N211 PolarHBondContact OD1-N 3.31Å; N211-V213 PolarHBondContact O-N 2.49Å; N211-N218 VanDerWaalsContact O-CG 3.29Å; N211-N218 PolarHBondContact O-ND2 2.74Å; N211-N218 PolarHBondContact O-OD1 2.92Å; N211-Y239 WeakPolarHBondContact OD1-CD1 3.01Å; N211-F246 PolarHBondContact ND2-O 3.03Å; N211-R249 PolarHBondContact ND2-NH2 3.45Å
212	I	74.5	Confident	73.5	Confident	14 Å²	14	63.4 Å²	63.4	7%	0.072	34%	0.335	C	S	.	.			trans	-93.1	82.5	-177.8	-56	177.5	0	0	0	109.2	I161 F195 I206 D209 I285	I161-I212 HydrophobicContact CD1-CD1 4.47Å; F195-I212 HydrophobicContact CB-CG2 4.28Å; F195-I212 HydrophobicContact CD1-CG2 4.09Å; F195-I212 HydrophobicContact CD2-CG2 4.04Å; F195-I212 HydrophobicContact CE1-CG2 4.43Å; F195-I212 HydrophobicContact CE2-CG1 4.3Å; F195-I212 HydrophobicContact CE2-CG2 4.38Å; F195-I212 HydrophobicContact CG-CG2 3.88Å; F195-I212 HydrophobicContact CZ-CG1 4.37Å; I206-I212 HydrophobicContact CG1-CG2 4.3Å; I206-I212 HydrophobicContact CG2-CG2 4.47Å; D209-I212 HydrophobicContact CB-CB 4.46Å; D209-I212 HydrophobicContact CB-CD1 4.09Å; D209-I212 HydrophobicContact CB-CG1 4.13Å; D209-I212 PolarHBondContact O-N 2.77Å; I212-I285 HydrophobicContact CD1-CD1 4.02Å
213	V	75.1	Confident	75.2	Confident	67 Å²	67	55.3 Å²	55.3	41%	0.406	30%	0.297	S	S	.	.			trans	-103.9	119.5	175.4	-177.8	0	0	0	0	109.8	N211 G215 K216	N211-V213 PolarHBondContact O-N 2.49Å; V213-G215 PolarHBondContact O-N 2.76Å; V213-K216 HydrophobicContact CB-CB 4.02Å; V213-K216 HydrophobicContact CB-CD 4.36Å; V213-K216 HydrophobicContact CG1-CB 3.9Å; V213-K216 HydrophobicContact CG1-CD 4.37Å; V213-K216 PolarHBondContact O-N 2.84Å
214	F	79.3	Confident	76.9	Confident	66 Å²	66	53.9 Å²	53.9	29%	0.289	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	-60.9	135.5	-179.7	-60	-60.2	0	0	0	112.5	Y159 F195 Y197 I206 K216	Y159-F214 WeakPolarHBondContact OH-CE1 3.49Å; F195-F214 HydrophobicContact CB-CD1 4.33Å; F195-F214 WeakPolarHBondContact O-CA 3.21Å; Y197-F214 AromaticContact CD2-CD2 3.74Å; Y197-F214 HydrophobicContact CD2-CD2 3.74Å; Y197-F214 AromaticContact CD2-CE2 3.84Å; Y197-F214 HydrophobicContact CD2-CE2 3.84Å; Y197-F214 HydrophobicContact CD2-CG 4.09Å; Y197-F214 HydrophobicContact CD2-CZ 4.28Å; Y197-F214 HydrophobicContact CE2-CE2 4.33Å; I206-F214 HydrophobicContact CD1-CE1 3.9Å; I206-F214 HydrophobicContact CD1-CZ 3.52Å; I206-F214 HydrophobicContact CG2-CE2 3.82Å; I206-F214 HydrophobicContact CG2-CZ 3.72Å; F214-K216 PolarHBondContact O-N 2.83Å; F214-K216 VanDerWaalsContact O-N 3.16Å
215	G	78.5	Confident	78.8	Confident	63 Å²	63	50.2 Å²	50.2	65%	0.649	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	-1.5	178.9	0	0	0	0	0	114.8	F195 V213	F195-G215 PolarHBondContact O-N 3.28Å; V213-G215 PolarHBondContact O-N 2.76Å
216	K	84.6	Confident	80.7	Confident	104 Å²	104	49.1 Å²	49.1	45%	0.452	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-100.5	129.9	173.8	-172.5	-178.6	175.8	-171.6	0	110	V213 F214 N218	V213-K216 HydrophobicContact CB-CB 4.02Å; V213-K216 HydrophobicContact CB-CD 4.36Å; V213-K216 HydrophobicContact CG1-CB 3.9Å; V213-K216 HydrophobicContact CG1-CD 4.37Å; V213-K216 PolarHBondContact O-N 2.84Å; F214-K216 PolarHBondContact O-N 2.83Å; F214-K216 VanDerWaalsContact O-N 3.16Å; K216-N218 PolarHBondContact O-N 2.96Å
217	A	86.7	Confident	82.4	Confident	34 Å²	34	52 Å²	52	28%	0.281	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	119.9	172	0	0	0	0	0	111.3	E192 T194	E192-A217 HydrophobicContact CG-CB 3.68Å; E192-A217 WeakPolarHBondContact OE1-CB 3.29Å; T194-A217 WeakPolarHBondContact OG1-CA 3.38Å
218	N	90	Very high	84	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	125.9	171.3	-67.4	-41.7	0	0	0	110.2	E192 Q193 N211 K216 Y239	E192-N218 CarbonylContact C-O 3.57Å; E192-N218 WeakPolarHBondContact CA-O 3.28Å; Q193-N218 PolarHBondContact N-O 2.85Å; Q193-N218 WeakPolarHBondContact O-CB 3.02Å; Q193-N218 PolarHBondContact O-N 3.17Å; N211-N218 VanDerWaalsContact O-CG 3.29Å; N211-N218 PolarHBondContact O-ND2 2.74Å; N211-N218 PolarHBondContact O-OD1 2.92Å; K216-N218 PolarHBondContact O-N 2.96Å; N218-Y239 HydrophobicContact CB-CD2 4.48Å; N218-Y239 HydrophobicContact CB-CE2 4.31Å
219	I	91	Very high	85	Confident	88 Å²	88	48.9 Å²	48.9	45%	0.451	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	104	-179.8	-58.3	-179.9	0	0	0	108.3	I190 Y239	I190-I219 HydrophobicContact CG2-CG2 3.29Å; I219-Y239 WeakPolarHBondContact O-CD2 2.96Å
220	W	92.3	Very high	85.6	Confident	5 Å²	5	52 Å²	52	2%	0.019	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	130.8	176.9	-63.9	104	0	0	0	110.4	I190 L191 Q193 I237 A238 Y239 R249	I190-W220 CarbonylContact C-O 3.46Å; I190-W220 WeakPolarHBondContact CA-O 3.37Å; L191-W220 HydrophobicContact CB-CB 4.19Å; L191-W220 PolarHBondContact N-O 2.91Å; L191-W220 PolarHBondContact O-N 2.93Å; Q193-W220 VanDerWaalsContact OE1-NE1 3.08Å; W220-I237 HydrophobicContact CB-CB 4.21Å; W220-I237 HydrophobicContact CB-CD1 4.17Å; W220-I237 HydrophobicContact CD2-CD1 3.57Å; W220-I237 HydrophobicContact CD2-CG1 4.14Å; W220-I237 HydrophobicContact CE3-CB 4.2Å; W220-I237 HydrophobicContact CE3-CD1 3.65Å; W220-I237 HydrophobicContact CE3-CG1 3.71Å; W220-I237 HydrophobicContact CG-CD1 3.8Å; W220-I237 HydrophobicContact CZ3-CD1 4.27Å; W220-I237 HydrophobicContact CZ3-CG1 4.24Å; W220-A238 CarbonylContact C-O 3.33Å; W220-A238 WeakPolarHBondContact CA-O 3.42Å; W220-Y239 VanDerWaalsContact CZ3-CB 3.43Å; W220-R249 HydrophobicContact CH2-CG 3.5Å; W220-R249 VanDerWaalsContact CH2-CG 3.5Å; W220-R249 HydrophobicContact CZ2-CG 4.49Å; W220-R249 HydrophobicContact CZ3-CB 4.31Å; W220-R249 HydrophobicContact CZ3-CG 3.53Å
221	R	92.2	Very high	86.2	Confident	82 Å²	82	50.5 Å²	50.5	31%	0.309	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	132.4	170	-64.2	-174.1	179.6	95.8	-5.1	109.5	S189 I190 Y223 I237 A238 D240	S189-R221 CarbonylContact O-C 3.49Å; S189-R221 WeakPolarHBondContact O-CA 3.37Å; I190-R221 HydrophobicContact CG1-CG 4.37Å; R221-Y223 HydrophobicContact CB-CE2 4.28Å; R221-I237 CarbonylContact O-C 3.49Å; R221-I237 VanDerWaalsContact O-CA 3.29Å; R221-I237 WeakPolarHBondContact O-CA 3.08Å; R221-A238 PolarHBondContact N-O 3.44Å; R221-A238 PolarHBondContact O-N 2.94Å; R221-D240 IonicContact CZ-OD2 3.73Å; R221-D240 IonicContact NH1-OD2 3.89Å; R221-D240 PolarHBondContact NH1-OD2 2.85Å; R221-D240 IonicContact NH2-OD2 3.24Å; R221-D240 PolarHBondContact NH2-OD2 2.93Å; R221-D240 VanDerWaalsContact NH2-OD2 3.11Å
222	C	93.6	Very high	86.9	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.007	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	132.8	175.4	-64.6	0	0	0	0	110.2	F145 C147 I150 S189	F145-C222 HydrophobicContact CD1-CB 3.97Å; C147-C222 WeakPolarHBondContact CA-SG 3.49Å; C147-C222 HydrophobicContact CB-CB 4.06Å; C147-C222 WeakPolarHBondContact CB-SG 3.44Å; C147-C222 WeakPolarHBondContact SG-CB 3.41Å; C147-C222 CovalentContact SG-SG 2.02Å; C147-C222 PolarHBondContact SG-SG 2.78Å; I150-C222 HydrophobicContact CD1-CB 3.86Å; S189-C222 PolarHBondContact O-N 3.46Å
223	Y	93.4	Very high	87.7	Confident	11 Å²	11	51 Å²	51	4%	0.043	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	-37.2	-177.1	-96.9	-124.3	0	0	0	112.1	S99 N101 Y142 R221 A236 A238 Y248	S99-Y223 PolarHBondContact OG-O 2.85Å; N101-Y223 HydrophobicContact CB-CD1 3.64Å; N101-Y223 HydrophobicContact CB-CE1 4.22Å; N101-Y223 HydrophobicContact CB-CG 4.12Å; N101-Y223 WeakPolarHBondContact CB-O 3.48Å; N101-Y223 PolarHBondContact ND2-O 2.95Å; Y142-Y223 HydrophobicContact CD2-CE1 4.21Å; Y142-Y223 HydrophobicContact CD2-CE2 4.19Å; Y142-Y223 AromaticContact CD2-CZ 3.83Å; Y142-Y223 HydrophobicContact CE2-CD2 4.06Å; Y142-Y223 HydrophobicContact CE2-CE1 4.26Å; Y142-Y223 AromaticContact CE2-CE2 3.52Å; Y142-Y223 HydrophobicContact CE2-CE2 3.52Å; Y142-Y223 AromaticContact CE2-CZ 3.66Å; R221-Y223 HydrophobicContact CB-CE2 4.28Å; Y223-A236 WeakPolarHBondContact CB-O 3.45Å; Y223-A236 PolarHBondContact N-O 2.85Å; Y223-A238 HydrophobicContact CD2-CB 3.54Å; Y223-A238 HydrophobicContact CE1-CB 4.39Å; Y223-A238 HydrophobicContact CE2-CB 3.19Å; Y223-A238 HydrophobicContact CG-CB 4.3Å; Y223-Y248 HydrophobicContact CD1-CD1 4.33Å; Y223-Y248 HydrophobicContact CD1-CE1 4.26Å; Y223-Y248 HydrophobicContact CE1-CD1 4.03Å; Y223-Y248 AromaticContact CE1-CE1 3.53Å; Y223-Y248 HydrophobicContact CE1-CE1 3.53Å; Y223-Y248 AromaticContact CZ-CE1 3.77Å
224	G	93.5	Very high	88.6	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.9	162.6	179.6	0	0	0	0	0	113.5	S99 A235 A236	S99-G224 WeakPolarHBondContact OG-CA 3.42Å; G224-A235 CarbonylContact O-C 3.51Å; G224-A235 VanDerWaalsContact O-CA 3.26Å; G224-A235 WeakPolarHBondContact O-CA 3.41Å; G224-A236 PolarHBondContact N-O 2.78Å; G224-A236 PolarHBondContact O-N 2.82Å
225	R	93.9	Very high	89.3	Confident	85 Å²	85	46.1 Å²	46.1	32%	0.321	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	139.6	169.4	171	173.9	166.6	142.5	-1.8	109.1	F145 S149 I150 I233 W234	F145-R225 HydrophobicContact CE1-CB 4.3Å; F145-R225 HydrophobicContact CZ-CB 4Å; F145-R225 VanDerWaalsContact CZ-N 3.34Å; S149-R225 WeakPolarHBondContact O-CD 3.03Å; S149-R225 PolarHBondContact O-NE 3.31Å; S149-R225 PolarHBondContact O-NH1 2.71Å; I150-R225 HydrophobicContact CG1-CB 4.01Å; R225-I233 HydrophobicContact CG-CG2 4.1Å; R225-W234 CarbonylContact C-O 3.53Å; R225-W234 VanDerWaalsContact CA-O 3.24Å; R225-W234 WeakPolarHBondContact CA-O 3.2Å
226	W	92.5	Very high	90.1	Very high	16 Å²	16	43.1 Å²	43.1	6%	0.061	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	163.9	172.7	63.2	98.7	0	0	0	110.5	R98 V102 W234 A236	R98-W226 HydrophobicContact CB-CB 4.13Å; R98-W226 HydrophobicContact CB-CD2 3.86Å; R98-W226 HydrophobicContact CB-CE3 4.01Å; R98-W226 HydrophobicContact CB-CG 3.92Å; R98-W226 HydrophobicContact CG-CB 4.49Å; R98-W226 HydrophobicContact CG-CD2 4.02Å; R98-W226 HydrophobicContact CG-CG 3.96Å; V102-W226 HydrophobicContact CB-CZ3 4.28Å; V102-W226 HydrophobicContact CG1-CH2 3.91Å; V102-W226 HydrophobicContact CG1-CZ3 3.88Å; V102-W226 HydrophobicContact CG2-CZ3 4.31Å; W226-W234 HydrophobicContact CD2-CB 3.73Å; W226-W234 AromaticContact CE2-CG 3.93Å; W226-W234 HydrophobicContact CE3-CB 4.31Å; W226-W234 HydrophobicContact CG-CB 4.14Å; W226-W234 HydrophobicContact CH2-CB 4.12Å; W226-W234 HydrophobicContact CZ2-CB 3.52Å; W226-W234 HydrophobicContact CZ2-CG 4.16Å; W226-W234 HydrophobicContact CZ3-CB 4.47Å; W226-W234 PolarHBondContact N-O 2.86Å; W226-W234 AromaticContact NE1-CD1 3.91Å; W226-W234 AromaticContact NE1-CG 3.67Å; W226-W234 PolarHBondContact O-N 2.62Å; W226-A236 HydrophobicContact CH2-CB 4.34Å; W226-A236 HydrophobicContact CZ3-CB 4.06Å
227	T	90.1	Very high	90.6	Very high	75 Å²	75	38.2 Å²	38.2	46%	0.46	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	138.2	175.3	50.2	0	0	0	0	109.4	T232 I233 I255	T227-T232 WeakPolarHBondContact CA-O 3.48Å; T227-I233 HydrophobicContact CG2-CG1 3.95Å; T227-I255 HydrophobicContact CG2-CD1 4.4Å
228	D	85.5	Confident	90.9	Very high	62 Å²	62	36.7 Å²	36.7	33%	0.332	19%	0.187	S	C	.	.			trans	-88.1	164.3	174	-178.5	40.6	0	0	0	111.4	S230 G231 T232	D228-S230 PolarHBondContact O-N 3.22Å; D228-S230 VanDerWaalsContact O-N 3.09Å; D228-S230 PolarHBondContact OD2-OG 2.89Å; D228-G231 PolarHBondContact O-N 3.5Å; D228-T232 PolarHBondContact N-O 2.74Å
229	K	82.2	Confident	91	Very high	173 Å²	173	38.6 Å²	38.6	75%	0.752	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-25.3	177.2	-64.8	-173.1	177.4	-172.4	0	112.8	G231	K229-G231 VanDerWaalsContact C-N 3.26Å; K229-G231 PolarHBondContact O-N 2.81Å
230	S	82.8	Confident	90.8	Very high	80 Å²	80	38.7 Å²	38.7	56%	0.559	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-5.2	175.4	59.7	0	0	0	0	115.1	D228 T232	D228-S230 PolarHBondContact O-N 3.22Å; D228-S230 VanDerWaalsContact O-N 3.09Å; D228-S230 PolarHBondContact OD2-OG 2.89Å; S230-T232 VanDerWaalsContact C-N 3.28Å; S230-T232 PolarHBondContact OG-OG1 2.84Å; S230-T232 VanDerWaalsContact OG-OG1 3.11Å
231	G	84.3	Confident	90.5	Very high	29 Å²	29	39.6 Å²	39.6	30%	0.299	20%	0.202	S	C	.	.	S	Bend	trans	78.9	9.2	-173.1	0	0	0	0	0	114	D228 K229 I255	D228-G231 PolarHBondContact O-N 3.5Å; K229-G231 VanDerWaalsContact C-N 3.26Å; K229-G231 PolarHBondContact O-N 2.81Å; G231-I255 VanDerWaalsContact O-CD1 3.26Å; G231-I255 WeakPolarHBondContact O-CD1 3.35Å; G231-I255 VanDerWaalsContact O-CG1 3.28Å; G231-I255 WeakPolarHBondContact O-CG1 3.25Å
232	T	89.4	Confident	90.3	Very high	20 Å²	20	43.5 Å²	43.5	12%	0.123	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	130.9	174	-53.6	0	0	0	0	109.9	T227 D228 S230 T252 T253	T227-T232 WeakPolarHBondContact CA-O 3.48Å; D228-T232 PolarHBondContact N-O 2.74Å; S230-T232 VanDerWaalsContact C-N 3.28Å; S230-T232 PolarHBondContact OG-OG1 2.84Å; S230-T232 VanDerWaalsContact OG-OG1 3.11Å; T232-T252 WeakPolarHBondContact CG2-OG1 3.48Å; T232-T253 VanDerWaalsContact CG2-O 3.32Å; T232-T253 WeakPolarHBondContact CG2-O 3.47Å
233	I	91.4	Very high	90	Very high	8 Å²	8	48.2 Å²	48.2	4%	0.041	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	135.3	173.1	-64.8	154.9	0	0	0	108.7	R225 T227 T252 T253 I255 W266	R225-I233 HydrophobicContact CG-CG2 4.1Å; T227-I233 HydrophobicContact CG2-CG1 3.95Å; I233-T252 CarbonylContact O-C 3.6Å; I233-T252 VanDerWaalsContact O-CA 3.32Å; I233-T252 WeakPolarHBondContact O-CA 3.32Å; I233-T253 HydrophobicContact CB-CG2 3.72Å; I233-T253 HydrophobicContact CD1-CG2 3.93Å; I233-T253 HydrophobicContact CG1-CG2 4.44Å; I233-T253 HydrophobicContact CG2-CG2 4.05Å; I233-T253 PolarHBondContact N-O 3.16Å; I233-T253 PolarHBondContact O-N 2.8Å; I233-I255 HydrophobicContact CD1-CB 4.26Å; I233-I255 HydrophobicContact CD1-CG1 3.51Å; I233-I255 HydrophobicContact CG1-CD1 4.42Å; I233-I255 HydrophobicContact CG1-CG1 3.58Å; I233-W266 HydrophobicContact CG2-CH2 4.29Å
234	W	93.3	Very high	89.8	Confident	32 Å²	32	48.8 Å²	48.8	12%	0.121	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	143.6	174.4	-66.3	84.4	0	0	0	109.9	R225 W226 L251 L277	R225-W234 CarbonylContact C-O 3.53Å; R225-W234 VanDerWaalsContact CA-O 3.24Å; R225-W234 WeakPolarHBondContact CA-O 3.2Å; W226-W234 HydrophobicContact CD2-CB 3.73Å; W226-W234 AromaticContact CE2-CG 3.93Å; W226-W234 HydrophobicContact CE3-CB 4.31Å; W226-W234 HydrophobicContact CG-CB 4.14Å; W226-W234 HydrophobicContact CH2-CB 4.12Å; W226-W234 HydrophobicContact CZ2-CB 3.52Å; W226-W234 HydrophobicContact CZ2-CG 4.16Å; W226-W234 HydrophobicContact CZ3-CB 4.47Å; W226-W234 PolarHBondContact N-O 2.86Å; W226-W234 AromaticContact NE1-CD1 3.91Å; W226-W234 AromaticContact NE1-CG 3.67Å; W226-W234 PolarHBondContact O-N 2.62Å; W234-L251 CarbonylContact C-O 3.53Å; W234-L251 WeakPolarHBondContact CA-O 3.15Å; W234-L277 HydrophobicContact CH2-CB 4Å; W234-L277 VanDerWaalsContact CH2-O 3.26Å; W234-L277 WeakPolarHBondContact CH2-O 3.29Å; W234-L277 HydrophobicContact CZ3-CB 3.79Å; W234-L277 HydrophobicContact CZ3-CD1 4.33Å
235	A	95.1	Very high	89.6	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	152.3	173.6	0	0	0	0	0	111	I150 G224 C250 L251 W266	I150-A235 HydrophobicContact CB-CB 4.35Å; I150-A235 HydrophobicContact CD1-CB 3.84Å; I150-A235 HydrophobicContact CG1-CB 3.72Å; I150-A235 HydrophobicContact CG2-CB 3.72Å; G224-A235 CarbonylContact O-C 3.51Å; G224-A235 VanDerWaalsContact O-CA 3.26Å; G224-A235 WeakPolarHBondContact O-CA 3.41Å; A235-C250 CarbonylContact O-C 3.56Å; A235-C250 WeakPolarHBondContact O-CA 3.41Å; A235-L251 HydrophobicContact CB-CB 3.96Å; A235-L251 HydrophobicContact CB-CD1 4.28Å; A235-L251 PolarHBondContact N-O 3.33Å; A235-L251 PolarHBondContact O-N 3.06Å; A235-W266 HydrophobicContact CB-CH2 4.4Å; A235-W266 HydrophobicContact CB-CZ3 4.22Å
236	A	95.1	Very high	89.4	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	134.8	178.1	0	0	0	0	0	109.7	V102 F135 Y223 G224 W226 R249	V102-A236 HydrophobicContact CG2-CB 3.66Å; F135-A236 HydrophobicContact CD1-CB 4.28Å; F135-A236 HydrophobicContact CE1-CB 3.73Å; Y223-A236 WeakPolarHBondContact CB-O 3.45Å; Y223-A236 PolarHBondContact N-O 2.85Å; G224-A236 PolarHBondContact N-O 2.78Å; G224-A236 PolarHBondContact O-N 2.82Å; W226-A236 HydrophobicContact CH2-CB 4.34Å; W226-A236 HydrophobicContact CZ3-CB 4.06Å; A236-R249 WeakPolarHBondContact CA-O 3.28Å
237	I	94.7	Very high	89.4	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	153.3	176.3	63.2	175.6	0	0	0	110.3	W220 R221 Y248 R249 L251 M268	W220-I237 HydrophobicContact CB-CB 4.21Å; W220-I237 HydrophobicContact CB-CD1 4.17Å; W220-I237 HydrophobicContact CD2-CD1 3.57Å; W220-I237 HydrophobicContact CD2-CG1 4.14Å; W220-I237 HydrophobicContact CE3-CB 4.2Å; W220-I237 HydrophobicContact CE3-CD1 3.65Å; W220-I237 HydrophobicContact CE3-CG1 3.71Å; W220-I237 HydrophobicContact CG-CD1 3.8Å; W220-I237 HydrophobicContact CZ3-CD1 4.27Å; W220-I237 HydrophobicContact CZ3-CG1 4.24Å; R221-I237 CarbonylContact O-C 3.49Å; R221-I237 VanDerWaalsContact O-CA 3.29Å; R221-I237 WeakPolarHBondContact O-CA 3.08Å; I237-Y248 WeakPolarHBondContact O-CA 3.25Å; I237-R249 HydrophobicContact CD1-CB 4.29Å; I237-R249 HydrophobicContact CG1-CB 3.81Å; I237-R249 PolarHBondContact N-O 2.88Å; I237-R249 PolarHBondContact O-N 3.18Å; I237-L251 HydrophobicContact CD1-CD1 4.14Å; I237-L251 HydrophobicContact CD1-CG 4.44Å; I237-L251 HydrophobicContact CG1-CD1 4.48Å; I237-L251 HydrophobicContact CG2-CD1 3.97Å; I237-M268 HydrophobicContact CD1-CE 3.85Å
238	A	93.2	Very high	89.6	Confident	2 Å²	2	49.5 Å²	49.5	2%	0.017	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	137.7	179.8	0	0	0	0	0	112.7	W220 R221 Y223 R247 Y248	W220-A238 CarbonylContact C-O 3.33Å; W220-A238 WeakPolarHBondContact CA-O 3.42Å; R221-A238 PolarHBondContact N-O 3.44Å; R221-A238 PolarHBondContact O-N 2.94Å; Y223-A238 HydrophobicContact CD2-CB 3.54Å; Y223-A238 HydrophobicContact CE1-CB 4.39Å; Y223-A238 HydrophobicContact CE2-CB 3.19Å; Y223-A238 HydrophobicContact CG-CB 4.3Å; A238-R247 CarbonylContact C-O 3.47Å; A238-R247 WeakPolarHBondContact CA-O 3.49Å; A238-Y248 HydrophobicContact CB-CD1 3.65Å; A238-Y248 HydrophobicContact CB-CE1 3.94Å
239	Y	91.2	Very high	89.9	Confident	41 Å²	41	46.7 Å²	46.7	16%	0.161	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	153.7	173.7	-178.4	-112.2	0	0	0	110.8	N211 N218 I219 W220 T241 R247	N211-Y239 WeakPolarHBondContact OD1-CD1 3.01Å; N218-Y239 HydrophobicContact CB-CD2 4.48Å; N218-Y239 HydrophobicContact CB-CE2 4.31Å; I219-Y239 WeakPolarHBondContact O-CD2 2.96Å; W220-Y239 VanDerWaalsContact CZ3-CB 3.43Å; Y239-T241 HydrophobicContact CD1-CG2 3.88Å; Y239-T241 PolarHBondContact O-N 3.22Å; Y239-T241 VanDerWaalsContact O-N 3.11Å; Y239-R247 PolarHBondContact N-O 2.82Å; Y239-R247 WeakPolarHBondContact O-CG 3.44Å
240	D	86.9	Confident	90.6	Very high	89 Å²	89	38.5 Å²	38.5	48%	0.476	20%	0.199	S	C	.	.			trans	-84	84.6	179.2	-147.3	-21.8	0	0	0	110.7	R221	R221-D240 IonicContact CZ-OD2 3.73Å; R221-D240 IonicContact NH1-OD2 3.89Å; R221-D240 PolarHBondContact NH1-OD2 2.85Å; R221-D240 IonicContact NH2-OD2 3.24Å; R221-D240 PolarHBondContact NH2-OD2 2.93Å; R221-D240 VanDerWaalsContact NH2-OD2 3.11Å
241	T	87.3	Confident	91.2	Very high	25 Å²	25	34.9 Å²	34.9	15%	0.153	17%	0.173	C	C	.	.			trans	-135.8	149.8	179	179.8	0	0	0	0	111.8	Y239 Q243 R247	Y239-T241 HydrophobicContact CD1-CG2 3.88Å; Y239-T241 PolarHBondContact O-N 3.22Å; Y239-T241 VanDerWaalsContact O-N 3.11Å; T241-Q243 VanDerWaalsContact C-N 3.28Å; T241-Q243 PolarHBondContact OG1-N 3.32Å; T241-R247 HydrophobicContact CG2-CB 3.91Å; T241-R247 HydrophobicContact CG2-CG 4.31Å
242	N	87	Confident	91.6	Very high	164 Å²	164	33.5 Å²	33.5	88%	0.877	16%	0.159	S	C	*	.	S	Bend	trans	-74.2	-20.7	174	-69.3	-23.9	0	0	0	112.3	L244	N242-L244 PolarHBondContact O-N 3.16Å
243	Q	88.4	Confident	91.7	Very high	100 Å²	100	33 Å²	33	47%	0.467	16%	0.156	S	C	.	.			trans	-82.9	99.1	178.3	-67.1	179.1	-10.8	0	0	110	T241 R245 F246 R247	T241-Q243 VanDerWaalsContact C-N 3.28Å; T241-Q243 PolarHBondContact OG1-N 3.32Å; Q243-R245 VanDerWaalsContact C-N 3.28Å; Q243-R245 PolarHBondContact O-N 3.38Å; Q243-F246 HydrophobicContact CB-CD2 4.17Å; Q243-F246 PolarHBondContact O-N 2.94Å; Q243-R247 PolarHBondContact O-N 3.2Å; Q243-R247 VanDerWaalsContact O-N 3.15Å
244	L	87.6	Confident	91.5	Very high	22 Å²	22	39.9 Å²	39.9	12%	0.115	18%	0.182	C	C	.	.	H	α-helix	trans	-58.7	-38.2	-174.2	-65.4	175.2	0	0	0	112.9	F34 R137 N242 F246 R247 S272	F34-L244 HydrophobicContact CD2-CB 4.18Å; F34-L244 HydrophobicContact CD2-CD1 4.14Å; F34-L244 HydrophobicContact CE1-CB 4.13Å; F34-L244 VanDerWaalsContact CE1-O 3.31Å; F34-L244 WeakPolarHBondContact CE1-O 3.46Å; F34-L244 HydrophobicContact CE2-CB 3.55Å; F34-L244 HydrophobicContact CE2-CD1 4.02Å; F34-L244 HydrophobicContact CE2-CG 4.39Å; F34-L244 HydrophobicContact CZ-CB 3.52Å; R137-L244 VanDerWaalsContact NH1-CD1 3.28Å; N242-L244 PolarHBondContact O-N 3.16Å; L244-F246 PolarHBondContact O-N 2.73Å; L244-R247 VanDerWaalsContact O-CB 3.31Å; L244-R247 WeakPolarHBondContact O-CB 3.13Å; L244-R247 PolarHBondContact O-N 3.08Å; L244-S272 PolarHBondContact O-OG 2.84Å
245	R	89.8	Confident	90.8	Very high	100 Å²	100	43.6 Å²	43.6	38%	0.377	20%	0.203	S	C	.	.	H	α-helix	trans	-51.8	-36.8	174.6	173	177.4	-75.9	-146.5	-5.6	114.3	I36 G39 E41 Q243 N271 S272	I36-R245 HydrophobicContact CD1-CB 4.46Å; I36-R245 HydrophobicContact CD1-CG 4.11Å; G39-R245 PolarHBondContact O-NH2 2.79Å; G39-R245 VanDerWaalsContact O-NH2 3.12Å; E41-R245 WeakPolarHBondContact OE1-CB 3.46Å; Q243-R245 VanDerWaalsContact C-N 3.28Å; Q243-R245 PolarHBondContact O-N 3.38Å; R245-N271 HydrophobicContact CG-CB 4.1Å; R245-N271 WeakPolarHBondContact O-CA 3.31Å; R245-N271 WeakPolarHBondContact O-CB 3.22Å; R245-S272 PolarHBondContact O-N 2.91Å; R245-S272 PolarHBondContact O-OG 2.91Å; R245-S272 VanDerWaalsContact O-OG 3.11Å
246	F	90	Very high	89.7	Confident	45 Å²	45	48.7 Å²	48.7	20%	0.197	23%	0.23	C	C	.	.	H	α-helix	trans	-103.6	3.2	-177.9	-60.1	-66	0	0	0	112.7	P210 N211 Q243 L244	P210-F246 HydrophobicContact CG-CB 4.33Å; P210-F246 HydrophobicContact CG-CD2 3.69Å; P210-F246 HydrophobicContact CG-CE2 4.09Å; P210-F246 HydrophobicContact CG-CG 3.99Å; N211-F246 PolarHBondContact ND2-O 3.03Å; Q243-F246 HydrophobicContact CB-CD2 4.17Å; Q243-F246 PolarHBondContact O-N 2.94Å; L244-F246 PolarHBondContact O-N 2.73Å
247	R	91.8	Very high	88.5	Confident	47 Å²	47	50.9 Å²	50.9	18%	0.177	24%	0.24	C	C	.	.	H	α-helix	trans	-71.9	-43.9	-175.9	-173.6	170.4	174.6	-179.8	-12.1	112.2	A238 Y239 T241 Q243 L244	A238-R247 CarbonylContact C-O 3.47Å; A238-R247 WeakPolarHBondContact CA-O 3.49Å; Y239-R247 PolarHBondContact N-O 2.82Å; Y239-R247 WeakPolarHBondContact O-CG 3.44Å; T241-R247 HydrophobicContact CG2-CB 3.91Å; T241-R247 HydrophobicContact CG2-CG 4.31Å; Q243-R247 PolarHBondContact O-N 3.2Å; Q243-R247 VanDerWaalsContact O-N 3.15Å; L244-R247 VanDerWaalsContact O-CB 3.31Å; L244-R247 WeakPolarHBondContact O-CB 3.13Å; L244-R247 PolarHBondContact O-N 3.08Å
248	Y	94.1	Very high	87.3	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	145.8	-177.6	-46.4	-81.3	0	0	0	111	F34 F135 V136 Y223 I237 A238 N271 S272	F34-Y248 HydrophobicContact CB-CE2 4.15Å; F34-Y248 AromaticContact CD1-CD2 3.52Å; F34-Y248 HydrophobicContact CD1-CD2 3.52Å; F34-Y248 AromaticContact CD1-CE2 3.46Å; F34-Y248 HydrophobicContact CD1-CE2 3.46Å; F34-Y248 VanDerWaalsContact CD1-CE2 3.46Å; F34-Y248 AromaticContact CE1-CD2 3.96Å; F34-Y248 HydrophobicContact CE1-CD2 3.96Å; F34-Y248 HydrophobicContact CE1-CE2 4.16Å; F34-Y248 HydrophobicContact CG-CE2 4.06Å; F135-Y248 HydrophobicContact CB-CD1 3.67Å; F135-Y248 HydrophobicContact CB-CD2 3.99Å; F135-Y248 HydrophobicContact CB-CE1 3.8Å; F135-Y248 HydrophobicContact CB-CE2 4.08Å; F135-Y248 HydrophobicContact CB-CG 3.77Å; F135-Y248 HydrophobicContact CD1-CD1 4.05Å; F135-Y248 HydrophobicContact CD1-CG 4.08Å; F135-Y248 HydrophobicContact CD2-CD1 4.44Å; F135-Y248 AromaticContact CD2-CD2 3.94Å; F135-Y248 HydrophobicContact CD2-CD2 3.94Å; F135-Y248 AromaticContact CD2-CG 3.77Å; F135-Y248 HydrophobicContact CD2-CG 3.77Å; F135-Y248 HydrophobicContact CE2-CG 4.36Å; F135-Y248 AromaticContact CG-CD1 3.79Å; F135-Y248 HydrophobicContact CG-CD1 3.79Å; F135-Y248 HydrophobicContact CG-CD2 4.05Å; F135-Y248 HydrophobicContact CG-CE1 4.43Å; F135-Y248 AromaticContact CG-CG 3.58Å; F135-Y248 HydrophobicContact CG-CG 3.58Å; V136-Y248 PolarHBondContact O-OH 2.97Å; Y223-Y248 HydrophobicContact CD1-CD1 4.33Å; Y223-Y248 HydrophobicContact CD1-CE1 4.26Å; Y223-Y248 HydrophobicContact CE1-CD1 4.03Å; Y223-Y248 AromaticContact CE1-CE1 3.53Å; Y223-Y248 HydrophobicContact CE1-CE1 3.53Å; Y223-Y248 AromaticContact CZ-CE1 3.77Å; I237-Y248 WeakPolarHBondContact O-CA 3.25Å; A238-Y248 HydrophobicContact CB-CD1 3.65Å; A238-Y248 HydrophobicContact CB-CE1 3.94Å; Y248-N271 CarbonylContact O-C 3.48Å; Y248-S272 WeakPolarHBondContact CA-OG 3.26Å; Y248-S272 WeakPolarHBondContact CB-OG 3.18Å; Y248-S272 PolarHBondContact N-OG 2.79Å; Y248-S272 VanDerWaalsContact N-OG 3.11Å; Y248-S272 VanDerWaalsContact O-CA 3.22Å; Y248-S272 WeakPolarHBondContact O-CA 3.49Å; Y248-S272 PolarHBondContact O-N 2.87Å; Y248-S272 PolarHBondContact O-OG 3.35Å
249	R	93.4	Very high	86.4	Confident	3 Å²	3	58.4 Å²	58.4	1%	0.011	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	143.6	173	-57.4	-65.8	176	117.5	0.4	109.8	D209 N211 W220 A236 I237 M268 S269 T270	D209-R249 IonicContact OD1-NH2 3.94Å; D209-R249 PolarHBondContact OD1-NH2 3.17Å; D209-R249 IonicContact OD2-CZ 3.51Å; D209-R249 VanDerWaalsContact OD2-CZ 3.29Å; D209-R249 IonicContact OD2-NH1 2.76Å; D209-R249 PolarHBondContact OD2-NH1 3.4Å; D209-R249 IonicContact OD2-NH2 3.27Å; D209-R249 PolarHBondContact OD2-NH2 3.46Å; N211-R249 PolarHBondContact ND2-NH2 3.45Å; W220-R249 HydrophobicContact CH2-CG 3.5Å; W220-R249 VanDerWaalsContact CH2-CG 3.5Å; W220-R249 HydrophobicContact CZ2-CG 4.49Å; W220-R249 HydrophobicContact CZ3-CB 4.31Å; W220-R249 HydrophobicContact CZ3-CG 3.53Å; A236-R249 WeakPolarHBondContact CA-O 3.28Å; I237-R249 HydrophobicContact CD1-CB 4.29Å; I237-R249 HydrophobicContact CG1-CB 3.81Å; I237-R249 PolarHBondContact N-O 2.88Å; I237-R249 PolarHBondContact O-N 3.18Å; R249-M268 HydrophobicContact CB-CG 4.42Å; R249-S269 WeakPolarHBondContact CD-O 3.47Å; R249-S269 PolarHBondContact NH1-O 3.36Å; R249-T270 PolarHBondContact NH1-O 2.76Å; R249-T270 PolarHBondContact NH2-O 3.13Å; R249-T270 VanDerWaalsContact NH2-O 3.13Å
250	C	95.2	Very high	85.4	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	148.5	168.7	-85.8	0	0	0	0	110.4	A235 M268 S269 C274 L277	A235-C250 CarbonylContact O-C 3.56Å; A235-C250 WeakPolarHBondContact O-CA 3.41Å; C250-M268 WeakPolarHBondContact O-CA 3.38Å; C250-S269 PolarHBondContact N-OG 2.97Å; C250-S269 PolarHBondContact O-N 3.37Å; C250-C274 HydrophobicContact CB-CB 3.63Å; C250-C274 WeakPolarHBondContact CB-SG 3.49Å; C250-C274 WeakPolarHBondContact SG-CB 3.36Å; C250-C274 CovalentContact SG-SG 2.02Å; C250-C274 PolarHBondContact SG-SG 2.98Å; C250-L277 HydrophobicContact CB-CD1 3.56Å; C250-L277 WeakPolarHBondContact O-CD1 3.42Å
251	L	95.1	Very high	85	Confident	4 Å²	4	62.6 Å²	62.6	2%	0.021	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	141.9	179.3	-72.6	174.7	0	0	0	108.6	I150 W234 A235 I237 W266 G267 M268	I150-L251 HydrophobicContact CG2-CD1 4.22Å; W234-L251 CarbonylContact C-O 3.53Å; W234-L251 WeakPolarHBondContact CA-O 3.15Å; A235-L251 HydrophobicContact CB-CB 3.96Å; A235-L251 HydrophobicContact CB-CD1 4.28Å; A235-L251 PolarHBondContact N-O 3.33Å; A235-L251 PolarHBondContact O-N 3.06Å; I237-L251 HydrophobicContact CD1-CD1 4.14Å; I237-L251 HydrophobicContact CD1-CG 4.44Å; I237-L251 HydrophobicContact CG1-CD1 4.48Å; I237-L251 HydrophobicContact CG2-CD1 3.97Å; L251-W266 HydrophobicContact CB-CE3 3.72Å; L251-W266 HydrophobicContact CB-CZ3 3.69Å; L251-W266 HydrophobicContact CD1-CE3 4.49Å; L251-W266 HydrophobicContact CD1-CZ3 4.47Å; L251-W266 HydrophobicContact CD2-CE3 4.4Å; L251-W266 HydrophobicContact CG-CE3 4.46Å; L251-G267 CarbonylContact C-O 3.6Å; L251-G267 WeakPolarHBondContact CA-O 3.31Å; L251-M268 HydrophobicContact CD2-CB 3.7Å; L251-M268 HydrophobicContact CD2-CE 3.56Å; L251-M268 HydrophobicContact CD2-CG 3.86Å
252	T	93.8	Very high	84.6	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.006	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	139.7	176.7	-173.8	0	0	0	0	111.8	T232 I233 G267 L277	T232-T252 WeakPolarHBondContact CG2-OG1 3.48Å; I233-T252 CarbonylContact O-C 3.6Å; I233-T252 VanDerWaalsContact O-CA 3.32Å; I233-T252 WeakPolarHBondContact O-CA 3.32Å; T252-G267 PolarHBondContact N-O 2.61Å; T252-G267 PolarHBondContact O-N 2.99Å; T252-L277 HydrophobicContact CG2-CB 4.27Å; T252-L277 HydrophobicContact CG2-CD1 4.5Å; T252-L277 HydrophobicContact CG2-CD2 4.43Å
253	T	92.5	Very high	84.7	Confident	8 Å²	8	56.7 Å²	56.7	5%	0.049	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	172.5	176.1	-165.9	0	0	0	0	111.1	T232 I233 Q257 Y265 W266	T232-T253 VanDerWaalsContact CG2-O 3.32Å; T232-T253 WeakPolarHBondContact CG2-O 3.47Å; I233-T253 HydrophobicContact CB-CG2 3.72Å; I233-T253 HydrophobicContact CD1-CG2 3.93Å; I233-T253 HydrophobicContact CG1-CG2 4.44Å; I233-T253 HydrophobicContact CG2-CG2 4.05Å; I233-T253 PolarHBondContact N-O 3.16Å; I233-T253 PolarHBondContact O-N 2.8Å; T253-Q257 PolarHBondContact OG1-NE2 2.75Å; T253-Y265 WeakPolarHBondContact CB-O 3.09Å; T253-Y265 PolarHBondContact OG1-O 2.81Å; T253-W266 HydrophobicContact CG2-CD2 4.04Å; T253-W266 HydrophobicContact CG2-CE3 3.93Å; T253-W266 HydrophobicContact CG2-CH2 3.47Å; T253-W266 VanDerWaalsContact CG2-CH2 3.47Å; T253-W266 HydrophobicContact CG2-CZ2 3.54Å; T253-W266 HydrophobicContact CG2-CZ3 3.65Å
254	R	86.6	Confident	84.7	Confident	154 Å²	154	55.1 Å²	55.1	58%	0.581	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	148	175.4	-70.8	-171.8	173.7	-171.2	-2.3	110.4	D256 Q257	R254-D256 VanDerWaalsContact C-N 3.33Å; R254-Q257 HydrophobicContact CB-CG 4.37Å
255	I	78.2	Confident	84.9	Confident	110 Å²	110	57.2 Å²	57.2	56%	0.564	27%	0.266	S	S	*	.	S	Bend	trans	-66.4	-38.1	177	-63.9	165.5	0	0	0	110.9	T227 G231 I233	T227-I255 HydrophobicContact CG2-CD1 4.4Å; G231-I255 VanDerWaalsContact O-CD1 3.26Å; G231-I255 WeakPolarHBondContact O-CD1 3.35Å; G231-I255 VanDerWaalsContact O-CG1 3.28Å; G231-I255 WeakPolarHBondContact O-CG1 3.25Å; I233-I255 HydrophobicContact CD1-CB 4.26Å; I233-I255 HydrophobicContact CD1-CG1 3.51Å; I233-I255 HydrophobicContact CG1-CD1 4.42Å; I233-I255 HydrophobicContact CG1-CG1 3.58Å
256	D	71.2	Confident	85.1	Confident	106 Å²	106	53.2 Å²	53.2	57%	0.567	25%	0.251	S	S	*	.			trans	-105.2	55.4	-168.1	64.1	-34.4	0	0	0	112.9	R254 Q258	R254-D256 VanDerWaalsContact C-N 3.33Å; D256-Q258 PolarHBondContact O-N 3.39Å
257	Q	71.7	Confident	85.3	Confident	47 Å²	47	51.1 Å²	51.1	22%	0.22	24%	0.241	C	C	.	.			trans	-74.9	80.7	169.3	-61.3	-171.6	-11	0	0	108.8	T253 R254 N259 Y265	T253-Q257 PolarHBondContact OG1-NE2 2.75Å; R254-Q257 HydrophobicContact CB-CG 4.37Å; Q257-N259 PolarHBondContact O-N 2.65Å; Q257-Y265 PolarHBondContact NE2-O 2.89Å
258	Q	67.9	Low	85.4	Confident	142 Å²	142	49.1 Å²	49.1	66%	0.664	23%	0.234	S	C	*	.			trans	-71.3	68.5	174.5	-65.3	-178.6	-1.8	0	0	109.9	D256 F342	D256-Q258 PolarHBondContact O-N 3.39Å; Q258-F342 HydrophobicContact CB-CD2 4.43Å; Q258-F342 HydrophobicContact CG-CD2 4.42Å
259	N	74.8	Confident	85.3	Confident	19 Å²	19	49.1 Å²	49.1	10%	0.102	23%	0.234	C	C	.	.			trans	-103.8	114.4	-173.5	-163.1	-25	0	0	0	110.8	Q257 Q261 D262 I263 Y265	Q257-N259 PolarHBondContact O-N 2.65Å; N259-Q261 PolarHBondContact O-N 3.42Å; N259-Q261 PolarHBondContact OD1-N 2.98Å; N259-Q261 PolarHBondContact OD1-OE1 2.89Å; N259-D262 PolarHBondContact O-N 3.32Å; N259-I263 WeakPolarHBondContact ND2-CB 3.22Å; N259-I263 PolarHBondContact ND2-O 2.82Å; N259-Y265 WeakPolarHBondContact ND2-CE2 3.4Å
260	P	70.6	Confident	85.1	Confident	91 Å²	91	51.5 Å²	51.5	59%	0.591	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-11.9	179	24.6	-27.9	0	0	0	113.9
261	Q	77.5	Confident	84.8	Confident	127 Å²	127	53 Å²	53	59%	0.593	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	8.7	177.8	-66.8	86.5	-1.5	0	0	114.3	N259 I263	N259-Q261 PolarHBondContact O-N 3.42Å; N259-Q261 PolarHBondContact OD1-N 2.98Å; N259-Q261 PolarHBondContact OD1-OE1 2.89Å; Q261-I263 HydrophobicContact CB-CD1 3.8Å; Q261-I263 HydrophobicContact CB-CG1 3.95Å; Q261-I263 PolarHBondContact O-N 3.03Å; Q261-I263 VanDerWaalsContact O-N 3.14Å
262	D	80	Confident	84.6	Confident	23 Å²	23	52.9 Å²	52.9	12%	0.123	26%	0.257	C	S	.	.			trans	55.3	29.1	-177.3	-57.5	-54.1	0	0	0	113.7	N259 P291 H346	N259-D262 PolarHBondContact O-N 3.32Å; D262-P291 VanDerWaalsContact O-CD 3.24Å; D262-P291 WeakPolarHBondContact O-CD 3.34Å; D262-H346 IonicContact OD2-NE2 3.9Å; D262-H346 PolarHBondContact OD2-NE2 2.61Å
263	I	87.8	Confident	84.5	Confident	42 Å²	42	54.1 Å²	54.1	22%	0.215	26%	0.263	C	S	.	.			trans	-93.7	130	177.8	-55.8	165.9	0	0	0	109.7	N259 Q261 Y265 E288 L289	N259-I263 WeakPolarHBondContact ND2-CB 3.22Å; N259-I263 PolarHBondContact ND2-O 2.82Å; Q261-I263 HydrophobicContact CB-CD1 3.8Å; Q261-I263 HydrophobicContact CB-CG1 3.95Å; Q261-I263 PolarHBondContact O-N 3.03Å; Q261-I263 VanDerWaalsContact O-N 3.14Å; I263-Y265 HydrophobicContact CG2-CE1 4.02Å; I263-E288 HydrophobicContact CG2-CB 4.21Å; I263-L289 CarbonylContact C-O 3.52Å; I263-L289 WeakPolarHBondContact CA-O 3.47Å
264	Y	89.3	Confident	84.5	Confident	66 Å²	66	54 Å²	54	26%	0.259	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	129	176.9	-56	-80.7	0	0	0	111.9	Y155 L289 P291	Y155-Y264 HydrophobicContact CD1-CD2 4.41Å; Y155-Y264 AromaticContact CE1-CD2 3.83Å; Y155-Y264 HydrophobicContact CE1-CD2 3.83Å; Y155-Y264 AromaticContact CE1-CE2 3.87Å; Y155-Y264 HydrophobicContact CE1-CE2 3.87Å; Y264-L289 PolarHBondContact N-O 2.96Å; Y264-L289 PolarHBondContact O-N 2.75Å; Y264-P291 HydrophobicContact CE2-CG 4.33Å
265	Y	91.7	Very high	84.5	Confident	67 Å²	67	48.7 Å²	48.7	26%	0.263	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	127	179.1	-58.7	-73.6	0	0	0	111.3	T253 Q257 N259 I263 Y280 L287 E288	T253-Y265 WeakPolarHBondContact CB-O 3.09Å; T253-Y265 PolarHBondContact OG1-O 2.81Å; Q257-Y265 PolarHBondContact NE2-O 2.89Å; N259-Y265 WeakPolarHBondContact ND2-CE2 3.4Å; I263-Y265 HydrophobicContact CG2-CE1 4.02Å; Y265-Y280 AromaticContact CD1-CE1 3.84Å; Y265-Y280 HydrophobicContact CD1-CE1 3.84Å; Y265-Y280 HydrophobicContact CD1-CE2 4.17Å; Y265-Y280 AromaticContact CD1-CZ 3.58Å; Y265-Y280 HydrophobicContact CG-CE1 4.18Å; Y265-Y280 HydrophobicContact CG-CE2 4.45Å; Y265-L287 WeakPolarHBondContact CA-O 3.29Å; Y265-E288 HydrophobicContact CD1-CB 4.4Å; Y265-E288 HydrophobicContact CD1-CG 3.88Å; Y265-E288 HydrophobicContact CE1-CB 4.32Å; Y265-E288 HydrophobicContact CE1-CG 3.85Å
266	W	93.9	Very high	84.9	Confident	16 Å²	16	46.3 Å²	46.3	6%	0.061	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	129.1	175.1	-79.3	91.2	0	0	0	111	I150 I151 I233 A235 L251 T253 L287 L289	I150-W266 HydrophobicContact CG2-CH2 4.09Å; I150-W266 HydrophobicContact CG2-CZ2 4.48Å; I151-W266 HydrophobicContact CG1-CZ2 4.22Å; I233-W266 HydrophobicContact CG2-CH2 4.29Å; A235-W266 HydrophobicContact CB-CH2 4.4Å; A235-W266 HydrophobicContact CB-CZ3 4.22Å; L251-W266 HydrophobicContact CB-CE3 3.72Å; L251-W266 HydrophobicContact CB-CZ3 3.69Å; L251-W266 HydrophobicContact CD1-CE3 4.49Å; L251-W266 HydrophobicContact CD1-CZ3 4.47Å; L251-W266 HydrophobicContact CD2-CE3 4.4Å; L251-W266 HydrophobicContact CG-CE3 4.46Å; T253-W266 HydrophobicContact CG2-CD2 4.04Å; T253-W266 HydrophobicContact CG2-CE3 3.93Å; T253-W266 HydrophobicContact CG2-CH2 3.47Å; T253-W266 VanDerWaalsContact CG2-CH2 3.47Å; T253-W266 HydrophobicContact CG2-CZ2 3.54Å; T253-W266 HydrophobicContact CG2-CZ3 3.65Å; W266-L287 HydrophobicContact CB-CB 4.26Å; W266-L287 PolarHBondContact N-O 2.77Å; W266-L287 PolarHBondContact O-N 2.05Å; W266-L289 HydrophobicContact CB-CD1 4.22Å; W266-L289 HydrophobicContact CG-CD1 4.42Å
267	G	94	Very high	85.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	135.6	169.2	0	0	0	0	0	110.1	L251 T252 A283 I285	L251-G267 CarbonylContact C-O 3.6Å; L251-G267 WeakPolarHBondContact CA-O 3.31Å; T252-G267 PolarHBondContact N-O 2.61Å; T252-G267 PolarHBondContact O-N 2.99Å; G267-A283 VanDerWaalsContact CA-CB 3.41Å; G267-I285 CarbonylContact C-O 3.55Å; G267-I285 WeakPolarHBondContact CA-O 3.29Å
268	M	93.5	Very high	86.4	Confident	5 Å²	5	47.1 Å²	47.1	3%	0.025	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	141.5	-179	-178	-173.6	-80.3	0	0	110.9	I237 R249 C250 L251 I285 L287	I237-M268 HydrophobicContact CD1-CE 3.85Å; R249-M268 HydrophobicContact CB-CG 4.42Å; C250-M268 WeakPolarHBondContact O-CA 3.38Å; L251-M268 HydrophobicContact CD2-CB 3.7Å; L251-M268 HydrophobicContact CD2-CE 3.56Å; L251-M268 HydrophobicContact CD2-CG 3.86Å; M268-I285 HydrophobicContact CB-CB 4.03Å; M268-I285 HydrophobicContact CB-CG2 4.26Å; M268-I285 PolarHBondContact N-O 3.18Å; M268-I285 PolarHBondContact O-N 3.11Å; M268-I285 HydrophobicContact SD-CD1 4.45Å; M268-L287 HydrophobicContact CE-CD1 4.01Å
269	S	92.9	Very high	87.3	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.21	C	C	.	.			trans	-77.2	158.1	175.6	64.5	0	0	0	0	112.4	R249 C250 N271	R249-S269 WeakPolarHBondContact CD-O 3.47Å; R249-S269 PolarHBondContact NH1-O 3.36Å; C250-S269 PolarHBondContact N-OG 2.97Å; C250-S269 PolarHBondContact O-N 3.37Å; S269-N271 WeakPolarHBondContact CB-O 3.39Å; S269-N271 PolarHBondContact OG-O 3.46Å
270	T	88.2	Confident	87.8	Confident	54 Å²	54	43.8 Å²	43.8	33%	0.331	21%	0.213	S	C	.	.	S	Bend	trans	-85.5	-16.8	173.9	43.7	0	0	0	0	113.5	R249 P284 I285	R249-T270 PolarHBondContact NH1-O 2.76Å; R249-T270 PolarHBondContact NH2-O 3.13Å; R249-T270 VanDerWaalsContact NH2-O 3.13Å; T270-P284 HydrophobicContact CG2-CB 3.63Å; T270-I285 HydrophobicContact CG2-CD1 4.24Å; T270-I285 HydrophobicContact CG2-CG1 4.22Å
271	N	89.7	Confident	88.6	Confident	30 Å²	30	44.2 Å²	44.2	16%	0.16	21%	0.21	C	C	.	.	S	Bend	trans	-149.8	-171.9	-179.5	62.4	6	0	0	0	109.3	I36 R245 Y248 S269 D273	I36-N271 HydrophobicContact CD1-CB 4.32Å; R245-N271 HydrophobicContact CG-CB 4.1Å; R245-N271 WeakPolarHBondContact O-CA 3.31Å; R245-N271 WeakPolarHBondContact O-CB 3.22Å; Y248-N271 CarbonylContact O-C 3.48Å; S269-N271 WeakPolarHBondContact CB-O 3.39Å; S269-N271 PolarHBondContact OG-O 3.46Å; N271-D273 PolarHBondContact O-N 3.16Å; N271-D273 VanDerWaalsContact O-N 3.16Å; N271-D273 VanDerWaalsContact OD1-CB 3.3Å; N271-D273 WeakPolarHBondContact OD1-CB 3.37Å; N271-D273 PolarHBondContact OD1-N 3.41Å
272	S	91.4	Very high	89.1	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.014	21%	0.205	C	C	.	.	S	Bend	trans	-73.6	8	177.1	-51.9	0	0	0	0	114.7	F135 L244 R245 Y248	F135-S272 WeakPolarHBondContact CE2-O 3.47Å; L244-S272 PolarHBondContact O-OG 2.84Å; R245-S272 PolarHBondContact O-N 2.91Å; R245-S272 PolarHBondContact O-OG 2.91Å; R245-S272 VanDerWaalsContact O-OG 3.11Å; Y248-S272 WeakPolarHBondContact CA-OG 3.26Å; Y248-S272 WeakPolarHBondContact CB-OG 3.18Å; Y248-S272 PolarHBondContact N-OG 2.79Å; Y248-S272 VanDerWaalsContact N-OG 3.11Å; Y248-S272 VanDerWaalsContact O-CA 3.22Å; Y248-S272 WeakPolarHBondContact O-CA 3.49Å; Y248-S272 PolarHBondContact O-N 2.87Å; Y248-S272 PolarHBondContact O-OG 3.35Å
273	D	91.3	Very high	89.6	Confident	27 Å²	27	41.4 Å²	41.4	14%	0.144	20%	0.199	C	C	.	.			trans	-90.3	114.1	171.7	-170.7	-2.8	0	0	0	110.2	I36 N271 K275	I36-D273 HydrophobicContact CB-CB 4.18Å; I36-D273 HydrophobicContact CG2-CB 4.32Å; N271-D273 PolarHBondContact O-N 3.16Å; N271-D273 VanDerWaalsContact O-N 3.16Å; N271-D273 VanDerWaalsContact OD1-CB 3.3Å; N271-D273 WeakPolarHBondContact OD1-CB 3.37Å; N271-D273 PolarHBondContact OD1-N 3.41Å; D273-K275 VanDerWaalsContact OD1-CB 3.25Å; D273-K275 WeakPolarHBondContact OD1-CB 3.46Å; D273-K275 WeakPolarHBondContact OD1-CE 3.26Å; D273-K275 WeakPolarHBondContact OD1-CG 3.37Å; D273-K275 PolarHBondContact OD1-N 3.33Å
274	C	91.7	Very high	89.7	Confident	6 Å²	6	40 Å²	40	4%	0.041	19%	0.193	C	C	.	.			trans	-88.2	-9.9	-179.7	-52.2	0	0	0	0	112.8	F135 C250 V276 L277	F135-C274 VanDerWaalsContact CZ-SG 3.53Å; C250-C274 HydrophobicContact CB-CB 3.63Å; C250-C274 WeakPolarHBondContact CB-SG 3.49Å; C250-C274 WeakPolarHBondContact SG-CB 3.36Å; C250-C274 CovalentContact SG-SG 2.02Å; C250-C274 PolarHBondContact SG-SG 2.98Å; C274-V276 PolarHBondContact O-N 3.44Å; C274-L277 WeakPolarHBondContact O-CB 3.48Å; C274-L277 PolarHBondContact O-N 2.84Å; C274-L277 VanDerWaalsContact O-N 3.12Å
275	K	88.2	Confident	89.7	Confident	43 Å²	43	36.9 Å²	36.9	19%	0.187	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-24	-178.2	-64.4	-175.3	-77.2	-175.2	0	112.9	E130 E132 D273 L277	E130-K275 IonicContact OE2-NZ 3.78Å; E130-K275 PolarHBondContact OE2-NZ 3.42Å; E132-K275 IonicContact OE1-NZ 3.59Å; E132-K275 PolarHBondContact OE1-NZ 2.87Å; E132-K275 WeakPolarHBondContact OE2-CE 3.48Å; E132-K275 IonicContact OE2-NZ 2.68Å; E132-K275 PolarHBondContact OE2-NZ 2.88Å; D273-K275 VanDerWaalsContact OD1-CB 3.25Å; D273-K275 WeakPolarHBondContact OD1-CB 3.46Å; D273-K275 WeakPolarHBondContact OD1-CE 3.26Å; D273-K275 WeakPolarHBondContact OD1-CG 3.37Å; D273-K275 PolarHBondContact OD1-N 3.33Å; K275-L277 PolarHBondContact O-N 2.84Å
276	V	86.7	Confident	89.7	Confident	60 Å²	60	35 Å²	35	36%	0.364	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-20.8	175.9	-170.2	0	0	0	0	111.7	C274 P284	C274-V276 PolarHBondContact O-N 3.44Å; V276-P284 HydrophobicContact CB-CG 4.37Å; V276-P284 HydrophobicContact CG1-CG 3.45Å; V276-P284 VanDerWaalsContact CG1-CG 3.45Å
277	L	87.9	Confident	89.7	Confident	4 Å²	4	34.4 Å²	34.4	2%	0.021	17%	0.171	C	C	.	.			trans	-89.3	121.3	176.4	-60.8	175.7	0	0	0	109.2	W234 C250 T252 C274 K275 A283	W234-L277 HydrophobicContact CH2-CB 4Å; W234-L277 VanDerWaalsContact CH2-O 3.26Å; W234-L277 WeakPolarHBondContact CH2-O 3.29Å; W234-L277 HydrophobicContact CZ3-CB 3.79Å; W234-L277 HydrophobicContact CZ3-CD1 4.33Å; C250-L277 HydrophobicContact CB-CD1 3.56Å; C250-L277 WeakPolarHBondContact O-CD1 3.42Å; T252-L277 HydrophobicContact CG2-CB 4.27Å; T252-L277 HydrophobicContact CG2-CD1 4.5Å; T252-L277 HydrophobicContact CG2-CD2 4.43Å; C274-L277 WeakPolarHBondContact O-CB 3.48Å; C274-L277 PolarHBondContact O-N 2.84Å; C274-L277 VanDerWaalsContact O-N 3.12Å; K275-L277 PolarHBondContact O-N 2.84Å; L277-A283 HydrophobicContact CD2-CB 3.53Å
278	Y	86.2	Confident	89.6	Confident	165 Å²	165	37 Å²	37	65%	0.647	18%	0.183	S	C	*	.	S	Bend	trans	-116.3	-43.3	169.4	-61.9	-78	0	0	0	111	N282	Y278-N282 HydrophobicContact CD2-CB 4.49Å
279	N	85.5	Confident	89.7	Confident	52 Å²	52	36.9 Å²	36.9	28%	0.278	18%	0.183	S	C	.	.	S	Bend	trans	-151.7	172	177.2	60.4	27.5	0	0	0	108.4	N281 N282 A283	N279-N281 VanDerWaalsContact C-N 3.25Å; N279-N281 PolarHBondContact O-N 2.79Å; N279-N281 PolarHBondContact OD1-N 3.45Å; N279-N281 VanDerWaalsContact OD1-N 3.13Å; N279-N282 PolarHBondContact O-N 3Å; N279-N282 WeakPolarHBondContact OD1-CB 3.46Å; N279-N282 PolarHBondContact OD1-N 2.95Å; N279-A283 PolarHBondContact O-N 3.12Å
280	Y	86.9	Confident	89.6	Confident	39 Å²	39	41.7 Å²	41.7	15%	0.153	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-52.8	-43.2	174.1	170.7	-106.6	0	0	0	112.7	Y265 N282 A283 R286 E288	Y265-Y280 AromaticContact CD1-CE1 3.84Å; Y265-Y280 HydrophobicContact CD1-CE1 3.84Å; Y265-Y280 HydrophobicContact CD1-CE2 4.17Å; Y265-Y280 AromaticContact CD1-CZ 3.58Å; Y265-Y280 HydrophobicContact CG-CE1 4.18Å; Y265-Y280 HydrophobicContact CG-CE2 4.45Å; Y280-N282 VanDerWaalsContact C-N 3.29Å; Y280-N282 PolarHBondContact O-N 3.48Å; Y280-A283 WeakPolarHBondContact O-CB 3.36Å; Y280-A283 PolarHBondContact O-N 2.84Å; Y280-R286 HydrophobicContact CD2-CB 4.38Å; Y280-R286 HydrophobicContact CD2-CG 4.43Å; Y280-R286 HydrophobicContact CE2-CB 3.58Å; Y280-R286 HydrophobicContact CE2-CG 4.06Å; Y280-R286 VanDerWaalsContact O-CD 3.3Å; Y280-R286 WeakPolarHBondContact O-CD 3.4Å; Y280-R286 WeakPolarHBondContact O-CG 3.21Å; Y280-R286 PolarHBondContact O-NE 3.13Å; Y280-E288 WeakPolarHBondContact OH-CG 3.43Å; Y280-E288 PolarHBondContact OH-OE1 3.14Å
281	N	86.5	Confident	89.9	Confident	100 Å²	100	40.6 Å²	40.6	54%	0.535	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-65.8	-28.2	-175.5	-72.3	-20.4	0	0	0	113.6	N279 R286	N279-N281 VanDerWaalsContact C-N 3.25Å; N279-N281 PolarHBondContact O-N 2.79Å; N279-N281 PolarHBondContact OD1-N 3.45Å; N279-N281 VanDerWaalsContact OD1-N 3.13Å; N281-R286 PolarHBondContact O-NE 3.45Å; N281-R286 PolarHBondContact O-NH2 3.45Å
282	N	88.1	Confident	90	Very high	92 Å²	92	39.9 Å²	39.9	49%	0.492	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-97.3	-5.3	179.5	-67.9	0.2	0	0	0	112.5	Y278 N279 Y280	Y278-N282 HydrophobicContact CD2-CB 4.49Å; N279-N282 PolarHBondContact O-N 3Å; N279-N282 WeakPolarHBondContact OD1-CB 3.46Å; N279-N282 PolarHBondContact OD1-N 2.95Å; Y280-N282 VanDerWaalsContact C-N 3.29Å; Y280-N282 PolarHBondContact O-N 3.48Å
283	A	90.5	Very high	90.1	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.202	C	C	.	.			trans	-63.7	135.3	-177.7	0	0	0	0	0	111.7	G267 L277 N279 Y280 I285 R286	G267-A283 VanDerWaalsContact CA-CB 3.41Å; L277-A283 HydrophobicContact CD2-CB 3.53Å; N279-A283 PolarHBondContact O-N 3.12Å; Y280-A283 WeakPolarHBondContact O-CB 3.36Å; Y280-A283 PolarHBondContact O-N 2.84Å; A283-I285 VanDerWaalsContact C-N 3.31Å; A283-I285 PolarHBondContact O-N 3.2Å; A283-R286 HydrophobicContact CB-CG 4.19Å; A283-R286 WeakPolarHBondContact O-CG 3.06Å; A283-R286 PolarHBondContact O-NE 3.34Å
284	P	89.7	Confident	90.1	Very high	12 Å²	12	41 Å²	41	8%	0.078	20%	0.197	C	C	.	.	S	Bend	trans	-56.4	-42.4	175.4	-30	37.9	0	0	0	113.5	I161 V162 T270 V276	I161-P284 CarbonylContact C-O 3.5Å; I161-P284 WeakPolarHBondContact CA-O 3.16Å; V162-P284 WeakPolarHBondContact CG2-O 3.38Å; V162-P284 PolarHBondContact N-O 2.96Å; T270-P284 HydrophobicContact CG2-CB 3.63Å; V276-P284 HydrophobicContact CB-CG 4.37Å; V276-P284 HydrophobicContact CG1-CG 3.45Å; V276-P284 VanDerWaalsContact CG1-CG 3.45Å
285	I	90.4	Very high	90	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127.2	174.6	-58.2	171.1	0	0	0	106.9	I161 I212 G267 M268 T270 A283 L287	I161-I285 HydrophobicContact CG1-CG1 4.45Å; I212-I285 HydrophobicContact CD1-CD1 4.02Å; G267-I285 CarbonylContact C-O 3.55Å; G267-I285 WeakPolarHBondContact CA-O 3.29Å; M268-I285 HydrophobicContact CB-CB 4.03Å; M268-I285 HydrophobicContact CB-CG2 4.26Å; M268-I285 PolarHBondContact N-O 3.18Å; M268-I285 PolarHBondContact O-N 3.11Å; M268-I285 HydrophobicContact SD-CD1 4.45Å; T270-I285 HydrophobicContact CG2-CD1 4.24Å; T270-I285 HydrophobicContact CG2-CG1 4.22Å; A283-I285 VanDerWaalsContact C-N 3.31Å; A283-I285 PolarHBondContact O-N 3.2Å; I285-L287 HydrophobicContact CG2-CD2 3.84Å; I285-L287 HydrophobicContact CG2-CG 4.35Å
286	R	91.5	Very high	89.8	Confident	28 Å²	28	49.7 Å²	49.7	11%	0.106	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	127.5	179.6	-61.6	-173.9	-160.2	87.2	-8.3	108.5	Y159 R160 Y280 N281 A283	Y159-R286 CarbonylContact C-O 3.6Å; Y159-R286 VanDerWaalsContact CA-O 3.27Å; Y159-R286 WeakPolarHBondContact CA-O 3.41Å; R160-R286 HydrophobicContact CB-CB 4.38Å; R160-R286 VanDerWaalsContact CZ-NH1 3.33Å; R160-R286 PolarHBondContact N-O 3.11Å; R160-R286 PolarHBondContact O-N 3.19Å; Y280-R286 HydrophobicContact CD2-CB 4.38Å; Y280-R286 HydrophobicContact CD2-CG 4.43Å; Y280-R286 HydrophobicContact CE2-CB 3.58Å; Y280-R286 HydrophobicContact CE2-CG 4.06Å; Y280-R286 VanDerWaalsContact O-CD 3.3Å; Y280-R286 WeakPolarHBondContact O-CD 3.4Å; Y280-R286 WeakPolarHBondContact O-CG 3.21Å; Y280-R286 PolarHBondContact O-NE 3.13Å; N281-R286 PolarHBondContact O-NE 3.45Å; N281-R286 PolarHBondContact O-NH2 3.45Å; A283-R286 HydrophobicContact CB-CG 4.19Å; A283-R286 WeakPolarHBondContact O-CG 3.06Å; A283-R286 PolarHBondContact O-NE 3.34Å
287	L	93.1	Very high	89.7	Confident	3 Å²	3	49 Å²	49	2%	0.016	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	130.1	-176.7	-51.5	176	0	0	0	108.8	F157 Y265 W266 M268 I285 L289	F157-L287 HydrophobicContact CD2-CD2 3.84Å; F157-L287 HydrophobicContact CE2-CD2 3.97Å; Y265-L287 WeakPolarHBondContact CA-O 3.29Å; W266-L287 HydrophobicContact CB-CB 4.26Å; W266-L287 PolarHBondContact N-O 2.77Å; W266-L287 PolarHBondContact O-N 2.05Å; M268-L287 HydrophobicContact CE-CD1 4.01Å; I285-L287 HydrophobicContact CG2-CD2 3.84Å; I285-L287 HydrophobicContact CG2-CG 4.35Å; L287-L289 HydrophobicContact CB-CD1 3.48Å; L287-L289 VanDerWaalsContact CB-CD1 3.48Å
288	E	93	Very high	89.9	Confident	53 Å²	53	48.8 Å²	48.8	25%	0.248	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	99.3	174.1	-52.2	-163.5	168.8	0	0	107.9	F157 D158 I263 Y265 Y280	F157-E288 CarbonylContact C-O 3.6Å; F157-E288 VanDerWaalsContact CA-O 3.23Å; F157-E288 WeakPolarHBondContact CA-O 3.29Å; D158-E288 HydrophobicContact CB-CB 4.48Å; D158-E288 PolarHBondContact N-O 3.34Å; D158-E288 PolarHBondContact O-N 2.82Å; I263-E288 HydrophobicContact CG2-CB 4.21Å; Y265-E288 HydrophobicContact CD1-CB 4.4Å; Y265-E288 HydrophobicContact CD1-CG 3.88Å; Y265-E288 HydrophobicContact CE1-CB 4.32Å; Y265-E288 HydrophobicContact CE1-CG 3.85Å; Y280-E288 WeakPolarHBondContact OH-CG 3.43Å; Y280-E288 PolarHBondContact OH-OE1 3.14Å
289	L	93.5	Very high	90	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.016	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	134.5	-173.7	-71	68.5	0	0	0	109.5	I151 Y155 A156 F157 I175 I263 Y264 W266 L287	I151-L289 HydrophobicContact CD1-CD2 4.1Å; Y155-L289 HydrophobicContact CD1-CB 4.09Å; Y155-L289 HydrophobicContact CG-CB 4.33Å; Y155-L289 HydrophobicContact CG-CD2 4.18Å; A156-L289 CarbonylContact O-C 3.57Å; A156-L289 WeakPolarHBondContact O-CA 3.18Å; F157-L289 HydrophobicContact CB-CD1 4.29Å; F157-L289 HydrophobicContact CB-CG 4.04Å; I175-L289 HydrophobicContact CD1-CD2 3.95Å; I175-L289 HydrophobicContact CD1-CG 4.18Å; I263-L289 CarbonylContact C-O 3.52Å; I263-L289 WeakPolarHBondContact CA-O 3.47Å; Y264-L289 PolarHBondContact N-O 2.96Å; Y264-L289 PolarHBondContact O-N 2.75Å; W266-L289 HydrophobicContact CB-CD1 4.22Å; W266-L289 HydrophobicContact CG-CD1 4.42Å; L287-L289 HydrophobicContact CB-CD1 3.48Å; L287-L289 VanDerWaalsContact CB-CD1 3.48Å
290	R	92.6	Very high	90.2	Very high	101 Å²	101	44.4 Å²	44.4	38%	0.381	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	137.3	169.6	59.7	-179.4	171.1	-113.5	-14.4	109.7	Y155 A156 D158 A292	Y155-R290 CarbonylContact C-O 3.54Å; Y155-R290 VanDerWaalsContact CA-O 3.28Å; Y155-R290 WeakPolarHBondContact CA-O 3.4Å; A156-R290 HydrophobicContact CB-CG 3.94Å; A156-R290 PolarHBondContact N-O 2.81Å; A156-R290 WeakPolarHBondContact O-CG 3.31Å; A156-R290 PolarHBondContact O-N 2.82Å; D158-R290 IonicContact OD1-CZ 3.9Å; D158-R290 IonicContact OD1-NH1 2.82Å; D158-R290 IonicContact OD1-NH2 3.67Å; D158-R290 PolarHBondContact OD1-NH2 2.85Å; D158-R290 IonicContact OD2-CZ 3.94Å; D158-R290 IonicContact OD2-NH1 2.74Å; D158-R290 PolarHBondContact OD2-NH1 2.85Å; D158-R290 IonicContact OD2-NH2 3.38Å; R290-A292 PolarHBondContact O-N 2.77Å
291	P	92.8	Very high	90.3	Very high	31 Å²	31	42.6 Å²	42.6	20%	0.201	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.3	132.6	172.4	-28.4	36.1	0	0	0	111.2	Y155 D262 Y264 L366	Y155-P291 HydrophobicContact CD1-CG 4.45Å; Y155-P291 HydrophobicContact CE1-CG 4.12Å; D262-P291 VanDerWaalsContact O-CD 3.24Å; D262-P291 WeakPolarHBondContact O-CD 3.34Å; Y264-P291 HydrophobicContact CE2-CG 4.33Å; P291-L366 HydrophobicContact CB-CD2 3.98Å; P291-L366 HydrophobicContact CB-CG 3.77Å
292	A	93.1	Very high	90.5	Very high	16 Å²	16	39.5 Å²	39.5	13%	0.132	21%	0.207	C	C	.	.			trans	-137.5	168.8	-178.3	0	0	0	0	0	111.5	V154 A156 L174 R290 G367	V154-A292 HydrophobicContact CG1-CB 4.5Å; V154-A292 PolarHBondContact O-N 3.42Å; A156-A292 HydrophobicContact CB-CB 3.72Å; L174-A292 HydrophobicContact CD1-CB 4.43Å; R290-A292 PolarHBondContact O-N 2.77Å; A292-G367 PolarHBondContact O-N 3.06Å
293	F	93.6	Very high	90.8	Very high	46 Å²	46	41.2 Å²	41.2	20%	0.202	21%	0.212	C	C	.	.			trans	-90.8	148	169.3	-57.7	-66.2	0	0	0	110.4	P295 Q298 L299 L302 Y348 I364 L366	F293-P295 WeakPolarHBondContact O-CD 3.46Å; F293-Q298 HydrophobicContact CB-CB 4.32Å; F293-L299 HydrophobicContact CB-CD2 4.05Å; F293-L302 HydrophobicContact CB-CD1 4.39Å; F293-L302 HydrophobicContact CD1-CD1 3.96Å; F293-L302 HydrophobicContact CD2-CD1 3.79Å; F293-L302 HydrophobicContact CE1-CD1 4.1Å; F293-L302 HydrophobicContact CE2-CD1 3.94Å; F293-L302 HydrophobicContact CG-CD1 3.79Å; F293-L302 HydrophobicContact CZ-CD1 4.07Å; F293-Y348 HydrophobicContact CE1-CD2 4.04Å; F293-Y348 HydrophobicContact CE1-CE2 4.29Å; F293-Y348 AromaticContact CZ-CD2 3.62Å; F293-Y348 HydrophobicContact CZ-CD2 3.62Å; F293-Y348 AromaticContact CZ-CE2 3.56Å; F293-Y348 HydrophobicContact CZ-CE2 3.56Å; F293-Y348 HydrophobicContact CZ-CG 4.29Å; F293-I364 HydrophobicContact CD1-CG2 3.71Å; F293-I364 HydrophobicContact CE1-CG2 3.72Å; F293-L366 HydrophobicContact CD1-CD1 4.02Å; F293-L366 HydrophobicContact CD2-CD1 3.96Å; F293-L366 HydrophobicContact CE1-CB 4.28Å; F293-L366 HydrophobicContact CE1-CD1 3.74Å; F293-L366 HydrophobicContact CE2-CD1 3.67Å; F293-L366 HydrophobicContact CG-CD1 4.13Å; F293-L366 HydrophobicContact CZ-CB 4.46Å; F293-L366 HydrophobicContact CZ-CD1 3.57Å
294	D	91	Very high	91	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.027	23%	0.233	C	C	.	.			trans	-69.7	116.7	171.8	-175.5	2.4	0	0	0	110.5	V154 K176 E296 S297 Q298 L299	V154-D294 HydrophobicContact CG2-CB 4.32Å; K176-D294 WeakPolarHBondContact CE-OD2 3.28Å; K176-D294 IonicContact NZ-OD1 2.89Å; K176-D294 IonicContact NZ-OD2 2.76Å; K176-D294 PolarHBondContact NZ-OD2 3.08Å; D294-E296 PolarHBondContact O-N 3.24Å; D294-E296 PolarHBondContact OD1-N 2.86Å; D294-S297 WeakPolarHBondContact CB-OG 3.45Å; D294-S297 VanDerWaalsContact CG-OG 3.22Å; D294-S297 WeakPolarHBondContact OD2-CB 3.49Å; D294-S297 PolarHBondContact OD2-OG 3.49Å; D294-Q298 HydrophobicContact CB-CB 4.19Å; D294-Q298 HydrophobicContact CB-CG 4.09Å; D294-Q298 WeakPolarHBondContact O-CB 3.23Å; D294-Q298 PolarHBondContact O-N 3.31Å; D294-L299 PolarHBondContact O-N 2.87Å
295	P	88.9	Confident	91.1	Very high	73 Å²	73	46.5 Å²	46.5	47%	0.474	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-27.2	-177.8	25.6	-34.1	0	0	0	113.8	L174 F293 L299	L174-P295 HydrophobicContact CD2-CG 4.31Å; F293-P295 WeakPolarHBondContact O-CD 3.46Å; P295-L299 HydrophobicContact CB-CD1 3.89Å
296	E	84.9	Confident	91.3	Very high	159 Å²	159	47.1 Å²	47.1	74%	0.743	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-42.7	-175.8	-62	-176.7	160.4	0	0	112.6	D294	D294-E296 PolarHBondContact O-N 3.24Å; D294-E296 PolarHBondContact OD1-N 2.86Å
297	S	84.7	Confident	91.5	Very high	45 Å²	45	53.2 Å²	53.2	32%	0.315	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-43.1	-171.1	68.2	0	0	0	0	113.4	D294 S300	D294-S297 WeakPolarHBondContact CB-OG 3.45Å; D294-S297 VanDerWaalsContact CG-OG 3.22Å; D294-S297 WeakPolarHBondContact OD2-CB 3.49Å; D294-S297 PolarHBondContact OD2-OG 3.49Å; S297-S300 PolarHBondContact O-OG 2.94Å
298	Q	90.9	Very high	91.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-41.9	-169.7	-75.3	178.8	-29.6	0	0	113.3	F293 D294 S300 E301 L302 I364 K368 E370 T371	F293-Q298 HydrophobicContact CB-CB 4.32Å; D294-Q298 HydrophobicContact CB-CB 4.19Å; D294-Q298 HydrophobicContact CB-CG 4.09Å; D294-Q298 WeakPolarHBondContact O-CB 3.23Å; D294-Q298 PolarHBondContact O-N 3.31Å; Q298-S300 PolarHBondContact O-N 3.48Å; Q298-E301 PolarHBondContact O-N 3.38Å; Q298-L302 PolarHBondContact O-N 3.21Å; Q298-L302 VanDerWaalsContact O-N 3.16Å; Q298-I364 HydrophobicContact CB-CD1 4.19Å; Q298-I364 HydrophobicContact CG-CD1 4.36Å; Q298-I364 HydrophobicContact CG-CG2 4.29Å; Q298-K368 PolarHBondContact NE2-O 3.43Å; Q298-E370 PolarHBondContact NE2-O 3.01Å; Q298-T371 HydrophobicContact CB-CG2 4.37Å; Q298-T371 HydrophobicContact CG-CG2 3.43Å; Q298-T371 VanDerWaalsContact CG-CG2 3.43Å
299	L	89.6	Confident	91.6	Very high	84 Å²	84	52.3 Å²	52.3	44%	0.44	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-35.7	-175.3	-73.5	-174.7	0	0	0	113.1	F293 D294 P295 E301 L302	F293-L299 HydrophobicContact CB-CD2 4.05Å; D294-L299 PolarHBondContact O-N 2.87Å; P295-L299 HydrophobicContact CB-CD1 3.89Å; L299-E301 VanDerWaalsContact C-N 3.26Å; L299-E301 PolarHBondContact O-N 3.1Å; L299-L302 HydrophobicContact CD2-CD1 4.12Å; L299-L302 PolarHBondContact O-N 3.02Å
300	S	88.5	Confident	91.5	Very high	41 Å²	41	58.1 Å²	58.1	29%	0.287	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-31.6	176.4	69.8	0	0	0	0	112.9	S297 Q298	S297-S300 PolarHBondContact O-OG 2.94Å; Q298-S300 PolarHBondContact O-N 3.48Å
301	E	89.7	Confident	91.5	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-11.5	-179.9	-59.9	-48.8	142.1	0	0	114	Q298 L299 Q303 R352 T362 I364 F373 R401 Y408	Q298-E301 PolarHBondContact O-N 3.38Å; L299-E301 VanDerWaalsContact C-N 3.26Å; L299-E301 PolarHBondContact O-N 3.1Å; E301-Q303 PolarHBondContact O-N 3.18Å; E301-R352 IonicContact OE2-CZ 2.79Å; E301-R352 IonicContact OE2-NE 3.86Å; E301-R352 PolarHBondContact OE2-NE 3.31Å; E301-R352 IonicContact OE2-NH2 2.69Å; E301-R352 PolarHBondContact OE2-NH2 3.19Å; E301-T362 HydrophobicContact CB-CG2 3.79Å; E301-T362 PolarHBondContact O-OG1 3.32Å; E301-I364 HydrophobicContact CB-CD1 4.29Å; E301-F373 HydrophobicContact CG-CZ 4.22Å; E301-F373 WeakPolarHBondContact OE2-CZ 3.41Å; E301-R401 IonicContact OE1-CZ 3.3Å; E301-R401 IonicContact OE1-NH1 3.02Å; E301-R401 PolarHBondContact OE1-NH1 2.75Å; E301-R401 IonicContact OE1-NH2 3.14Å; E301-R401 PolarHBondContact OE1-NH2 3.35Å; E301-Y408 PolarHBondContact OE1-OH 3.16Å; E301-Y408 PolarHBondContact OE2-OH 3.26Å
302	L	91.3	Very high	91.6	Very high	35 Å²	35	55.4 Å²	55.4	18%	0.183	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-4.5	169.9	-71.8	173.1	0	0	0	113.2	F293 Q298 L299 P304 V350 I364	F293-L302 HydrophobicContact CB-CD1 4.39Å; F293-L302 HydrophobicContact CD1-CD1 3.96Å; F293-L302 HydrophobicContact CD2-CD1 3.79Å; F293-L302 HydrophobicContact CE1-CD1 4.1Å; F293-L302 HydrophobicContact CE2-CD1 3.94Å; F293-L302 HydrophobicContact CG-CD1 3.79Å; F293-L302 HydrophobicContact CZ-CD1 4.07Å; Q298-L302 PolarHBondContact O-N 3.21Å; Q298-L302 VanDerWaalsContact O-N 3.16Å; L299-L302 HydrophobicContact CD2-CD1 4.12Å; L299-L302 PolarHBondContact O-N 3.02Å; L302-P304 WeakPolarHBondContact O-CD 3.41Å; L302-V350 HydrophobicContact CD2-CG2 3.75Å; L302-V350 WeakPolarHBondContact O-CG1 3.46Å; L302-I364 HydrophobicContact CD2-CB 4.36Å; L302-I364 HydrophobicContact CD2-CD1 3.72Å; L302-I364 HydrophobicContact CD2-CG1 4.48Å; L302-I364 HydrophobicContact CG-CD1 3.75Å
303	Q	92.7	Very high	91.7	Very high	128 Å²	128	57.4 Å²	57.4	60%	0.598	33%	0.327	S	S	*	.	S	Bend	trans	-73.6	125.1	174.9	-66.2	-175.1	-19.5	0	0	110.5	E301 R352	E301-Q303 PolarHBondContact O-N 3.18Å; Q303-R352 WeakPolarHBondContact O-CD 3.18Å; Q303-R352 PolarHBondContact O-NH1 3.4Å
304	P	94.7	Very high	91.7	Very high	69 Å²	69	56.3 Å²	56.3	45%	0.448	33%	0.328	S	S	.	.			trans	-75.6	135.9	178.8	30.2	-34.1	0	0	0	111.7	L302 T331 V350 C351	L302-P304 WeakPolarHBondContact O-CD 3.41Å; P304-T331 HydrophobicContact CB-CG2 3.94Å; P304-T331 HydrophobicContact CG-CG2 4.08Å; P304-V350 HydrophobicContact CB-CG1 4.03Å; P304-C351 CarbonylContact C-O 3.59Å; P304-C351 WeakPolarHBondContact CA-O 3.3Å
305	G	92.5	Very high	91.9	Very high	54 Å²	54	62.1 Å²	62.1	56%	0.557	36%	0.355	S	S	*	.			trans	-108.1	-12.3	173.8	0	0	0	0	0	114	C351 R352	G305-C351 PolarHBondContact N-O 2.95Å; G305-R352 CarbonylContact C-O 3.54Å; G305-R352 WeakPolarHBondContact CA-O 3.15Å
306	C	94.8	Very high	92.3	Very high	14 Å²	14	58.9 Å²	58.9	10%	0.095	33%	0.333	C	S	.	.	S	Bend	trans	-141.3	173.4	176.6	47.8	0	0	0	0	112.4	C351 R352 Q353 Q354	C306-C351 HydrophobicContact CB-CB 4.26Å; C306-C351 WeakPolarHBondContact CB-SG 3.49Å; C306-C351 PolarHBondContact N-O 3.43Å; C306-C351 VanDerWaalsContact SG-CA 3.59Å; C306-C351 WeakPolarHBondContact SG-CB 3.46Å; C306-C351 CovalentContact SG-SG 2.03Å; C306-C351 PolarHBondContact SG-SG 3.4Å; C306-R352 PolarHBondContact SG-N 2.87Å; C306-R352 VanDerWaalsContact SG-N 3.43Å; C306-Q353 VanDerWaalsContact SG-CA 3.57Å; C306-Q353 PolarHBondContact SG-N 2.94Å; C306-Q354 HydrophobicContact CB-CB 4.13Å; C306-Q354 HydrophobicContact CB-CG 3.91Å
307	K	95	Very high	92.7	Very high	156 Å²	156	51.4 Å²	51.4	68%	0.678	30%	0.298	S	S	*	.			trans	-116.8	135.8	177.8	-66.4	-175.8	-179.5	-178.5	0	110.4	A330 Q354	K307-A330 CarbonylContact C-O 3.55Å; K307-A330 WeakPolarHBondContact CA-O 3.36Å; K307-Q354 PolarHBondContact O-OE1 3.2Å
308	L	95.2	Very high	93.1	Very high	6 Å²	6	49.9 Å²	49.9	3%	0.031	29%	0.286	C	S	.	.			trans	-70.3	158.2	170.1	-72.8	169.2	0	0	0	111.1	T310 I328 N329 A330 I333 Y359 M361 F378	L308-T310 PolarHBondContact O-N 3.14Å; L308-I328 HydrophobicContact CD1-CG2 4.09Å; L308-N329 WeakPolarHBondContact CD1-O 3.24Å; L308-A330 PolarHBondContact N-O 3.47Å; L308-I333 HydrophobicContact CD1-CD1 4.16Å; L308-I333 HydrophobicContact CD1-CG1 3.67Å; L308-Y359 HydrophobicContact CD2-CD1 4.12Å; L308-Y359 HydrophobicContact CD2-CE1 4.31Å; L308-M361 HydrophobicContact CD2-CE 3.49Å; L308-M361 VanDerWaalsContact CD2-CE 3.49Å; L308-M361 HydrophobicContact CG-CE 4.41Å; L308-F378 HydrophobicContact CD2-CE2 3.99Å; L308-F378 HydrophobicContact CD2-CZ 4.47Å
309	P	94	Very high	93.1	Very high	31 Å²	31	50.4 Å²	50.4	20%	0.201	29%	0.289	C	S	.	.			trans	-53.8	132	173	-26.8	36.4	0	0	0	112	N311 F312 Y359	P309-N311 WeakPolarHBondContact CB-OD1 3.46Å; P309-N311 PolarHBondContact O-N 3.44Å; P309-F312 HydrophobicContact CB-CD1 4.07Å; P309-F312 HydrophobicContact CB-CD2 4.13Å; P309-F312 HydrophobicContact CB-CE1 4.13Å; P309-F312 HydrophobicContact CB-CE2 4.22Å; P309-F312 HydrophobicContact CB-CG 4.05Å; P309-F312 HydrophobicContact CB-CZ 4.23Å; P309-F312 HydrophobicContact CG-CD2 3.99Å; P309-F312 HydrophobicContact CG-CE1 4.41Å; P309-F312 HydrophobicContact CG-CE2 3.77Å; P309-F312 HydrophobicContact CG-CG 4.42Å; P309-F312 HydrophobicContact CG-CZ 4Å; P309-F312 WeakPolarHBondContact O-CB 3.49Å; P309-F312 PolarHBondContact O-N 3Å; P309-Y359 WeakPolarHBondContact CG-OH 3.12Å
310	T	91	Very high	92.9	Very high	126 Å²	126	47.9 Å²	47.9	77%	0.773	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-64.9	-25	-174.8	52.9	0	0	0	0	113.4	L308 F312	L308-T310 PolarHBondContact O-N 3.14Å; T310-F312 PolarHBondContact O-N 3.02Å
311	N	91.8	Very high	92.7	Very high	71 Å²	71	48.4 Å²	48.4	38%	0.38	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-78.8	-2.1	177.2	66.5	-27	0	0	0	113.7	P309 R381	P309-N311 WeakPolarHBondContact CB-OD1 3.46Å; P309-N311 PolarHBondContact O-N 3.44Å; N311-R381 VanDerWaalsContact O-CD 3.25Å; N311-R381 WeakPolarHBondContact O-CD 3.46Å; N311-R381 PolarHBondContact O-NE 2.85Å
312	F	94.7	Very high	92.4	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.018	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-94.2	-17.1	175	-67.4	4.7	0	0	0	112.5	P309 T310 G314 W316 I328 F378 R381 I386	P309-F312 HydrophobicContact CB-CD1 4.07Å; P309-F312 HydrophobicContact CB-CD2 4.13Å; P309-F312 HydrophobicContact CB-CE1 4.13Å; P309-F312 HydrophobicContact CB-CE2 4.22Å; P309-F312 HydrophobicContact CB-CG 4.05Å; P309-F312 HydrophobicContact CB-CZ 4.23Å; P309-F312 HydrophobicContact CG-CD2 3.99Å; P309-F312 HydrophobicContact CG-CE1 4.41Å; P309-F312 HydrophobicContact CG-CE2 3.77Å; P309-F312 HydrophobicContact CG-CG 4.42Å; P309-F312 HydrophobicContact CG-CZ 4Å; P309-F312 WeakPolarHBondContact O-CB 3.49Å; P309-F312 PolarHBondContact O-N 3Å; T310-F312 PolarHBondContact O-N 3.02Å; F312-G314 PolarHBondContact O-N 3.26Å; F312-W316 PolarHBondContact O-NE1 3.33Å; F312-I328 HydrophobicContact CB-CD1 4.47Å; F312-I328 HydrophobicContact CB-CG2 4.02Å; F312-I328 WeakPolarHBondContact O-CB 3.47Å; F312-F378 HydrophobicContact CD2-CD1 4.33Å; F312-F378 HydrophobicContact CE2-CB 3.83Å; F312-F378 AromaticContact CE2-CD1 3.56Å; F312-F378 HydrophobicContact CE2-CD1 3.56Å; F312-F378 HydrophobicContact CE2-CD2 4.29Å; F312-F378 HydrophobicContact CE2-CE1 4.19Å; F312-F378 AromaticContact CE2-CG 3.64Å; F312-F378 HydrophobicContact CE2-CG 3.64Å; F312-F378 HydrophobicContact CZ-CB 4.08Å; F312-F378 HydrophobicContact CZ-CD1 4.35Å; F312-F378 HydrophobicContact CZ-CG 4.37Å; F312-R381 HydrophobicContact CD1-CB 4.01Å; F312-R381 HydrophobicContact CE1-CB 3.67Å; F312-I386 HydrophobicContact CB-CD1 3.73Å; F312-I386 HydrophobicContact CD1-CD1 3.74Å; F312-I386 HydrophobicContact CD1-CG1 3.95Å; F312-I386 HydrophobicContact CD2-CD1 4.11Å; F312-I386 HydrophobicContact CD2-CG2 4.19Å; F312-I386 HydrophobicContact CE1-CD1 4.41Å; F312-I386 HydrophobicContact CE1-CG1 4.18Å; F312-I386 HydrophobicContact CE1-CG2 4.28Å; F312-I386 HydrophobicContact CE2-CG2 3.83Å; F312-I386 HydrophobicContact CG-CD1 3.59Å; F312-I386 HydrophobicContact CG-CG1 4.25Å; F312-I386 HydrophobicContact CZ-CG2 3.88Å
313	S	95.2	Very high	92	Very high	58 Å²	58	57.3 Å²	57.3	41%	0.406	31%	0.312	S	S	.	.			trans	-59.3	127.3	-177.9	-59.2	0	0	0	0	111.4	I328	S313-I328 VanDerWaalsContact CA-O 3.28Å; S313-I328 WeakPolarHBondContact CA-O 3.21Å
314	G	94.5	Very high	92	Very high	23 Å²	23	51.2 Å²	51.2	24%	0.237	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.7	-174	-177	0	0	0	0	0	113.3	F312 W316 I328	F312-G314 PolarHBondContact O-N 3.26Å; G314-W316 VanDerWaalsContact O-CD1 3.23Å; G314-I328 PolarHBondContact N-O 3.16Å; G314-I328 PolarHBondContact O-N 2.78Å
315	H	96.2	Very high	91.9	Very high	126 Å²	126	50.2 Å²	50.2	58%	0.583	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99	133.9	175.7	-60.7	67.8	0	0	0	108.8	D327 D437	H315-D327 IonicContact CD2-OD1 3.5Å; H315-D327 PolarHBondContact CD2-OD1 3.31Å; H315-D327 IonicContact CG-OD1 3.11Å; H315-D327 IonicContact NE2-OD1 3.25Å; H315-D437 WeakPolarHBondContact CB-O 3.33Å; H315-D437 PolarHBondContact O-N 3.26Å; H315-D437 VanDerWaalsContact O-N 3.08Å
316	W	95.8	Very high	92.1	Very high	5 Å²	5	47.6 Å²	47.6	2%	0.019	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	160.9	-172.2	-58	85.3	0	0	0	110	F312 G314 V326 I328 N384 I386 F434 V435 Q436	F312-W316 PolarHBondContact O-NE1 3.33Å; G314-W316 VanDerWaalsContact O-CD1 3.23Å; W316-V326 CarbonylContact C-O 3.51Å; W316-V326 WeakPolarHBondContact CA-O 3.47Å; W316-V326 HydrophobicContact CB-CB 4.09Å; W316-V326 HydrophobicContact CB-CG1 4.47Å; W316-V326 WeakPolarHBondContact CB-O 3.39Å; W316-V326 PolarHBondContact N-O 2.99Å; W316-V326 PolarHBondContact O-N 3.23Å; W316-I328 HydrophobicContact CG-CD1 4.16Å; W316-I328 HydrophobicContact CG-CG1 4.48Å; W316-N384 WeakPolarHBondContact CZ3-O 3.43Å; W316-I386 HydrophobicContact CD2-CD1 3.94Å; W316-I386 HydrophobicContact CE3-CD1 4.01Å; W316-I386 HydrophobicContact CE3-CG1 4.32Å; W316-I386 HydrophobicContact CH2-CD1 3.56Å; W316-I386 HydrophobicContact CH2-CG1 3.72Å; W316-I386 HydrophobicContact CZ2-CD1 3.39Å; W316-I386 HydrophobicContact CZ2-CG1 4.09Å; W316-I386 HydrophobicContact CZ3-CD1 3.82Å; W316-I386 HydrophobicContact CZ3-CG1 3.8Å; W316-F434 HydrophobicContact CB-CB 4.11Å; W316-F434 HydrophobicContact CD2-CB 4.32Å; W316-F434 HydrophobicContact CE3-CB 3.91Å; W316-F434 HydrophobicContact CG-CB 4.39Å; W316-V435 CarbonylContact C-O 3.57Å; W316-V435 VanDerWaalsContact CA-O 3.31Å; W316-V435 WeakPolarHBondContact CA-O 3.43Å; W316-V435 VanDerWaalsContact CE3-C 3.42Å; W316-Q436 HydrophobicContact CD2-CB 4.45Å; W316-Q436 VanDerWaalsContact CE3-CA 3.47Å; W316-Q436 HydrophobicContact CE3-CB 3.9Å; W316-Q436 HydrophobicContact CH2-CB 3.97Å; W316-Q436 HydrophobicContact CH2-CG 4.22Å; W316-Q436 HydrophobicContact CZ2-CG 4.4Å; W316-Q436 HydrophobicContact CZ3-CB 3.64Å; W316-Q436 HydrophobicContact CZ3-CG 4.32Å
317	F	93.4	Very high	92.2	Very high	3 Å²	3	49.2 Å²	49.2	1%	0.013	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	137.9	174.5	174.7	-107.7	0	0	0	108.8	P319 T324 V435 D437 N550 F552 N573	F317-P319 HydrophobicContact CD1-CB 4.49Å; F317-P319 HydrophobicContact CD1-CG 3.91Å; F317-P319 HydrophobicContact CE1-CB 3.93Å; F317-P319 HydrophobicContact CE1-CG 3.85Å; F317-P319 WeakPolarHBondContact O-CD 3.07Å; F317-T324 VanDerWaalsContact CD2-O 3.24Å; F317-T324 WeakPolarHBondContact CD2-O 3.28Å; F317-V435 PolarHBondContact N-O 3.19Å; F317-V435 PolarHBondContact O-N 3.22Å; F317-D437 HydrophobicContact CB-CB 4.22Å; F317-N550 WeakPolarHBondContact CD2-ND2 3.39Å; F317-N550 HydrophobicContact CE2-CB 4.33Å; F317-N550 WeakPolarHBondContact CE2-ND2 3.41Å; F317-N550 HydrophobicContact CZ-CB 4.39Å; F317-F552 HydrophobicContact CB-CD2 4.49Å; F317-F552 HydrophobicContact CB-CE2 4.12Å; F317-F552 AromaticContact CD1-CD2 3.73Å; F317-F552 HydrophobicContact CD1-CD2 3.73Å; F317-F552 HydrophobicContact CD1-CE2 4.2Å; F317-F552 HydrophobicContact CD1-CG 4.37Å; F317-F552 HydrophobicContact CE1-CD2 4.33Å; F317-F552 HydrophobicContact CG-CD2 4.2Å; F317-F552 HydrophobicContact CG-CE2 4.29Å; F317-N573 HydrophobicContact CE1-CB 3.96Å; F317-N573 WeakPolarHBondContact CE1-ND2 3.43Å; F317-N573 HydrophobicContact CZ-CB 4.4Å; F317-N573 WeakPolarHBondContact CZ-ND2 3.37Å
318	Y	94.2	Very high	92.3	Very high	12 Å²	12	42.1 Å²	42.1	5%	0.047	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	103.9	177	-175.3	-149.9	0	0	0	111.1	S320 E321 T324 F388 E432 F434	Y318-S320 VanDerWaalsContact C-N 3.31Å; Y318-S320 PolarHBondContact O-N 2.74Å; Y318-E321 HydrophobicContact CD1-CB 3.99Å; Y318-E321 HydrophobicContact CD1-CG 3.91Å; Y318-E321 HydrophobicContact CE1-CB 4.21Å; Y318-E321 HydrophobicContact CE1-CG 3.61Å; Y318-E321 WeakPolarHBondContact CE1-OE1 3.24Å; Y318-T324 HydrophobicContact CD1-CG2 4.44Å; Y318-T324 PolarHBondContact N-O 3.04Å; Y318-T324 VanDerWaalsContact N-O 3.08Å; Y318-F388 HydrophobicContact CD2-CZ 4.35Å; Y318-F388 HydrophobicContact CE2-CE1 4.49Å; Y318-F388 AromaticContact CE2-CZ 3.83Å; Y318-F388 HydrophobicContact CE2-CZ 3.83Å; Y318-E432 HydrophobicContact CE2-CB 4.18Å; Y318-F434 HydrophobicContact CD1-CE1 4.33Å; Y318-F434 AromaticContact CD2-CD1 3.8Å; Y318-F434 HydrophobicContact CD2-CD1 3.8Å; Y318-F434 AromaticContact CD2-CE1 3.74Å; Y318-F434 HydrophobicContact CD2-CE1 3.74Å; Y318-F434 HydrophobicContact CE2-CE1 4.37Å; Y318-F434 HydrophobicContact CG-CD1 4.01Å; Y318-F434 AromaticContact CG-CE1 3.73Å; Y318-F434 HydrophobicContact CG-CE1 3.73Å
319	P	89.8	Confident	92.2	Very high	11 Å²	11	45.7 Å²	45.7	7%	0.071	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-19.2	-171.9	-21.6	36.3	0	0	0	115.4	F317 E321 Y433 V435 N573 R574	F317-P319 HydrophobicContact CD1-CB 4.49Å; F317-P319 HydrophobicContact CD1-CG 3.91Å; F317-P319 HydrophobicContact CE1-CB 3.93Å; F317-P319 HydrophobicContact CE1-CG 3.85Å; F317-P319 WeakPolarHBondContact O-CD 3.07Å; P319-E321 VanDerWaalsContact C-N 3.32Å; P319-Y433 HydrophobicContact CB-CE2 4.31Å; P319-Y433 WeakPolarHBondContact CD-O 3.28Å; P319-Y433 HydrophobicContact CG-CD2 4.18Å; P319-Y433 HydrophobicContact CG-CE2 3.65Å; P319-V435 HydrophobicContact CG-CG2 3.79Å; P319-N573 HydrophobicContact CB-CB 3.9Å; P319-R574 HydrophobicContact CB-CB 4.24Å
320	S	86.3	Confident	92.3	Very high	32 Å²	32	45.9 Å²	45.9	22%	0.224	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-15.7	-175.3	-58.9	0	0	0	0	113.4	Y318 E432 R574	Y318-S320 VanDerWaalsContact C-N 3.31Å; Y318-S320 PolarHBondContact O-N 2.74Å; S320-E432 VanDerWaalsContact CB-OE2 3.26Å; S320-E432 WeakPolarHBondContact CB-OE2 3.43Å; S320-E432 PolarHBondContact OG-OE2 2.79Å; S320-R574 WeakPolarHBondContact OG-CD 3.43Å
321	E	84.5	Confident	92.5	Very high	51 Å²	51	41.6 Å²	41.6	24%	0.238	23%	0.225	C	C	.	.	S	Bend	trans	-115.4	151.1	174.4	-68.6	-169.1	-145.8	0	0	111	Y318 P319 Q323 T324 R337	Y318-E321 HydrophobicContact CD1-CB 3.99Å; Y318-E321 HydrophobicContact CD1-CG 3.91Å; Y318-E321 HydrophobicContact CE1-CB 4.21Å; Y318-E321 HydrophobicContact CE1-CG 3.61Å; Y318-E321 WeakPolarHBondContact CE1-OE1 3.24Å; P319-E321 VanDerWaalsContact C-N 3.32Å; E321-Q323 PolarHBondContact O-N 3.41Å; E321-T324 WeakPolarHBondContact CB-OG1 3.41Å; E321-R337 WeakPolarHBondContact OE2-CD 3.09Å; E321-R337 IonicContact OE2-CZ 3.37Å; E321-R337 IonicContact OE2-NE 3.42Å; E321-R337 IonicContact OE2-NH1 3.39Å; E321-R337 PolarHBondContact OE2-NH1 2.72Å
322	Y	82.9	Confident	92.7	Very high	156 Å²	156	40.8 Å²	40.8	61%	0.612	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	122.9	-177.4	-177.2	-103.6	0	0	0	111.1	T324 K338	Y322-T324 PolarHBondContact O-N 3.32Å; Y322-T324 PolarHBondContact O-OG1 2.66Å; Y322-K338 HydrophobicContact CE1-CD 4.36Å
323	Q	82.5	Confident	92.8	Very high	67 Å²	67	40.7 Å²	40.7	31%	0.313	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	43	57.6	173.3	-62.1	-167	-47.2	0	0	113.3	E321 K338	E321-Q323 PolarHBondContact O-N 3.41Å; Q323-K338 HydrophobicContact CB-CB 4.21Å; Q323-K338 HydrophobicContact CB-CD 4.39Å
324	T	92.1	Very high	92.9	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	117.2	-177.2	-60.6	0	0	0	0	111.4	F317 Y318 E321 Y322 V326 M335 K336 R337	F317-T324 VanDerWaalsContact CD2-O 3.24Å; F317-T324 WeakPolarHBondContact CD2-O 3.28Å; Y318-T324 HydrophobicContact CD1-CG2 4.44Å; Y318-T324 PolarHBondContact N-O 3.04Å; Y318-T324 VanDerWaalsContact N-O 3.08Å; E321-T324 WeakPolarHBondContact CB-OG1 3.41Å; Y322-T324 PolarHBondContact O-N 3.32Å; Y322-T324 PolarHBondContact O-OG1 2.66Å; T324-V326 HydrophobicContact CG2-CG2 4.24Å; T324-M335 HydrophobicContact CG2-CB 4.27Å; T324-K336 WeakPolarHBondContact CA-O 3.45Å; T324-R337 HydrophobicContact CG2-CB 4.21Å
325	S	93.9	Very high	92.9	Very high	48 Å²	48	39 Å²	39	34%	0.336	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	145.4	171.2	68.5	0	0	0	0	110.2	M335 K336	S325-M335 CarbonylContact O-C 3.56Å; S325-M335 WeakPolarHBondContact O-CA 3.44Å; S325-K336 PolarHBondContact N-O 2.72Å; S325-K336 PolarHBondContact O-N 3.24Å
326	V	96.3	Very high	92.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	118	-174.5	179.5	0	0	0	0	109.4	W316 T324 I328 I333 Y334 M335 F434	W316-V326 CarbonylContact C-O 3.51Å; W316-V326 WeakPolarHBondContact CA-O 3.47Å; W316-V326 HydrophobicContact CB-CB 4.09Å; W316-V326 HydrophobicContact CB-CG1 4.47Å; W316-V326 WeakPolarHBondContact CB-O 3.39Å; W316-V326 PolarHBondContact N-O 2.99Å; W316-V326 PolarHBondContact O-N 3.23Å; T324-V326 HydrophobicContact CG2-CG2 4.24Å; V326-I328 HydrophobicContact CG1-CD1 4.47Å; V326-I328 HydrophobicContact CG1-CG1 3.99Å; V326-I333 HydrophobicContact CG1-CG2 3.42Å; V326-I333 VanDerWaalsContact CG1-CG2 3.42Å; V326-Y334 CarbonylContact C-O 3.47Å; V326-Y334 VanDerWaalsContact CA-O 3.3Å; V326-Y334 WeakPolarHBondContact CA-O 3.49Å; V326-M335 HydrophobicContact CG1-CG 4.22Å; V326-M335 HydrophobicContact CG2-CB 4.32Å; V326-M335 HydrophobicContact CG2-CG 3.89Å; V326-M335 HydrophobicContact CG2-SD 4.13Å; V326-F434 HydrophobicContact CB-CE1 4.49Å; V326-F434 HydrophobicContact CG1-CD1 4.44Å; V326-F434 HydrophobicContact CG1-CE1 4.17Å; V326-F434 HydrophobicContact CG1-CE2 4.43Å; V326-F434 HydrophobicContact CG1-CZ 4.16Å; V326-F434 HydrophobicContact CG2-CD1 4.19Å; V326-F434 HydrophobicContact CG2-CE1 3.92Å
327	D	96.9	Very high	92.7	Very high	47 Å²	47	39.2 Å²	39.2	25%	0.251	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	118.4	175.2	-58.1	-44.7	0	0	0	109.2	H315 Y334	H315-D327 IonicContact CD2-OD1 3.5Å; H315-D327 PolarHBondContact CD2-OD1 3.31Å; H315-D327 IonicContact CG-OD1 3.11Å; H315-D327 IonicContact NE2-OD1 3.25Å; D327-Y334 HydrophobicContact CB-CD1 4.12Å; D327-Y334 PolarHBondContact N-O 3.32Å; D327-Y334 PolarHBondContact O-N 3.15Å
328	I	96.9	Very high	92.4	Very high	8 Å²	8	41.3 Å²	41.3	4%	0.041	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	121.9	-178.7	-55.8	-177.5	0	0	0	108.4	L308 F312 S313 G314 W316 V326 I333 I386 F434	L308-I328 HydrophobicContact CD1-CG2 4.09Å; F312-I328 HydrophobicContact CB-CD1 4.47Å; F312-I328 HydrophobicContact CB-CG2 4.02Å; F312-I328 WeakPolarHBondContact O-CB 3.47Å; S313-I328 VanDerWaalsContact CA-O 3.28Å; S313-I328 WeakPolarHBondContact CA-O 3.21Å; G314-I328 PolarHBondContact N-O 3.16Å; G314-I328 PolarHBondContact O-N 2.78Å; W316-I328 HydrophobicContact CG-CD1 4.16Å; W316-I328 HydrophobicContact CG-CG1 4.48Å; V326-I328 HydrophobicContact CG1-CD1 4.47Å; V326-I328 HydrophobicContact CG1-CG1 3.99Å; I328-I333 HydrophobicContact CG1-CG1 4.1Å; I328-I333 HydrophobicContact CG1-CG2 4.06Å; I328-I333 HydrophobicContact CG2-CG1 4.14Å; I328-I386 HydrophobicContact CD1-CD1 3.95Å; I328-F434 HydrophobicContact CD1-CD2 4.02Å; I328-F434 HydrophobicContact CD1-CE2 4.29Å
329	N	94.3	Very high	91.9	Very high	81 Å²	81	46 Å²	46	43%	0.433	23%	0.226	S	C	.	.			trans	-104.6	174.1	169.6	-162.8	-15.9	0	0	0	109.5	L308 T331 H332	L308-N329 WeakPolarHBondContact CD1-O 3.24Å; N329-T331 PolarHBondContact O-N 2.82Å; N329-T331 VanDerWaalsContact O-N 3.07Å; N329-H332 PolarHBondContact N-O 3.16Å; N329-H332 PolarHBondContact ND2-CE1 2.74Å
330	A	94.6	Very high	91.4	Very high	34 Å²	34	47.7 Å²	47.7	28%	0.281	24%	0.24	S	C	.	.	S	Bend	trans	-62.1	-15.7	178.6	0	0	0	0	0	114.1	K307 L308	K307-A330 CarbonylContact C-O 3.55Å; K307-A330 WeakPolarHBondContact CA-O 3.36Å; L308-A330 PolarHBondContact N-O 3.47Å
331	T	95.4	Very high	90.9	Very high	36 Å²	36	52.1 Å²	52.1	22%	0.221	26%	0.261	C	S	.	.	S	Bend	trans	-127.6	-21.8	-175.4	58.1	0	0	0	0	114.6	P304 N329 C351	P304-T331 HydrophobicContact CB-CG2 3.94Å; P304-T331 HydrophobicContact CG-CG2 4.08Å; N329-T331 PolarHBondContact O-N 2.82Å; N329-T331 VanDerWaalsContact O-N 3.07Å; T331-C351 VanDerWaalsContact O-CB 3.3Å; T331-C351 WeakPolarHBondContact O-CB 3.31Å; T331-C351 PolarHBondContact O-N 3.37Å
332	H	95.9	Very high	90.4	Very high	55 Å²	55	54.3 Å²	54.3	26%	0.255	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	154.8	-174.5	58.7	-85.5	0	0	0	111.5	N329 F349 V350	N329-H332 PolarHBondContact N-O 3.16Å; N329-H332 PolarHBondContact ND2-CE1 2.74Å; H332-F349 CarbonylContact C-O 3.54Å; H332-F349 WeakPolarHBondContact CA-O 3.24Å; H332-F349 VanDerWaalsContact CB-O 3.29Å; H332-F349 WeakPolarHBondContact CB-O 3.49Å; H332-V350 HydrophobicContact CB-CG2 4.14Å
333	I	96.9	Very high	90.4	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	123.7	170.6	-56.4	167.3	0	0	0	106.4	L308 V326 I328 M335 F349 F378	L308-I333 HydrophobicContact CD1-CD1 4.16Å; L308-I333 HydrophobicContact CD1-CG1 3.67Å; V326-I333 HydrophobicContact CG1-CG2 3.42Å; V326-I333 VanDerWaalsContact CG1-CG2 3.42Å; I328-I333 HydrophobicContact CG1-CG1 4.1Å; I328-I333 HydrophobicContact CG1-CG2 4.06Å; I328-I333 HydrophobicContact CG2-CG1 4.14Å; I333-M335 HydrophobicContact CG2-CG 4.15Å; I333-F349 HydrophobicContact CB-CB 4.09Å; I333-F349 HydrophobicContact CB-CD2 4.41Å; I333-F349 PolarHBondContact N-O 3.02Å; I333-F349 PolarHBondContact O-N 2.76Å; I333-F378 HydrophobicContact CD1-CE1 4.45Å; I333-F378 HydrophobicContact CD1-CZ 3.77Å
334	Y	97.3	Very high	90.7	Very high	42 Å²	42	50.6 Å²	50.6	17%	0.165	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	124.4	175.3	165.1	-110.4	0	0	0	108.6	V326 D327 K336 H346 I347 Y348	V326-Y334 CarbonylContact C-O 3.47Å; V326-Y334 VanDerWaalsContact CA-O 3.3Å; V326-Y334 WeakPolarHBondContact CA-O 3.49Å; D327-Y334 HydrophobicContact CB-CD1 4.12Å; D327-Y334 PolarHBondContact N-O 3.32Å; D327-Y334 PolarHBondContact O-N 3.15Å; Y334-K336 HydrophobicContact CE1-CB 4.21Å; Y334-H346 HydrophobicContact CE2-CB 4.03Å; Y334-H346 AromaticContact CE2-ND1 3.74Å; Y334-H346 AromaticContact CZ-ND1 3.64Å; Y334-H346 PolarHBondContact OH-CE1 3.01Å; Y334-H346 VanDerWaalsContact OH-CE1 3.31Å; Y334-H346 PolarHBondContact OH-ND1 3.3Å; Y334-I347 WeakPolarHBondContact CA-O 3.3Å; Y334-Y348 HydrophobicContact CD2-CD1 4.01Å; Y334-Y348 HydrophobicContact CD2-CD2 4.45Å; Y334-Y348 AromaticContact CD2-CE1 3.56Å; Y334-Y348 HydrophobicContact CD2-CE1 3.56Å; Y334-Y348 HydrophobicContact CD2-CE2 4.04Å; Y334-Y348 HydrophobicContact CD2-CG 4.45Å; Y334-Y348 AromaticContact CD2-CZ 3.59Å; Y334-Y348 HydrophobicContact CE2-CE1 4.2Å; Y334-Y348 HydrophobicContact CE2-CE2 4.11Å; Y334-Y348 AromaticContact CE2-CZ 3.76Å; Y334-Y348 HydrophobicContact CG-CE1 4.31Å
335	M	95.7	Very high	90.6	Very high	3 Å²	3	51.3 Å²	51.3	2%	0.015	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	127.6	176.2	-50.3	-164.3	-42.1	0	0	109.5	T324 S325 V326 I333 I347 F349	T324-M335 HydrophobicContact CG2-CB 4.27Å; S325-M335 CarbonylContact O-C 3.56Å; S325-M335 WeakPolarHBondContact O-CA 3.44Å; V326-M335 HydrophobicContact CG1-CG 4.22Å; V326-M335 HydrophobicContact CG2-CB 4.32Å; V326-M335 HydrophobicContact CG2-CG 3.89Å; V326-M335 HydrophobicContact CG2-SD 4.13Å; I333-M335 HydrophobicContact CG2-CG 4.15Å; M335-I347 HydrophobicContact CB-CB 4.36Å; M335-I347 HydrophobicContact CE-CD1 4.27Å; M335-I347 PolarHBondContact N-O 3.35Å; M335-I347 PolarHBondContact O-N 3.27Å; M335-F349 HydrophobicContact CB-CE2 4.46Å; M335-F349 HydrophobicContact CE-CD2 4.44Å; M335-F349 HydrophobicContact CE-CE2 3.27Å; M335-F349 HydrophobicContact CE-CZ 3.46Å; M335-F349 VanDerWaalsContact CE-CZ 3.46Å; M335-F349 HydrophobicContact CG-CD2 4.1Å; M335-F349 HydrophobicContact CG-CE2 3.7Å; M335-F349 HydrophobicContact SD-CD2 4.28Å; M335-F349 HydrophobicContact SD-CE2 3.57Å; M335-F349 VanDerWaalsContact SD-CE2 3.57Å; M335-F349 HydrophobicContact SD-CZ 4.14Å
336	K	94.2	Very high	90.7	Very high	66 Å²	66	50.2 Å²	50.2	29%	0.287	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	107.7	171.8	-175.3	-178.9	-179.8	175.7	0	108.7	T324 S325 Y334 Y344 D345	T324-K336 WeakPolarHBondContact CA-O 3.45Å; S325-K336 PolarHBondContact N-O 2.72Å; S325-K336 PolarHBondContact O-N 3.24Å; Y334-K336 HydrophobicContact CE1-CB 4.21Å; K336-Y344 HydrophobicContact CD-CD1 4.3Å; K336-Y344 HydrophobicContact CG-CD1 4.09Å; K336-Y344 HydrophobicContact CG-CG 4.4Å; K336-D345 WeakPolarHBondContact CA-O 3.5Å
337	R	91.9	Very high	90.6	Very high	70 Å²	70	50.8 Å²	50.8	26%	0.264	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	134.4	-179.4	173.8	174.5	78	-176.7	1.4	110.9	E321 T324 Y344 D345	E321-R337 WeakPolarHBondContact OE2-CD 3.09Å; E321-R337 IonicContact OE2-CZ 3.37Å; E321-R337 IonicContact OE2-NE 3.42Å; E321-R337 IonicContact OE2-NH1 3.39Å; E321-R337 PolarHBondContact OE2-NH1 2.72Å; T324-R337 HydrophobicContact CG2-CB 4.21Å; R337-Y344 CarbonylContact O-C 3.6Å; R337-Y344 VanDerWaalsContact O-CA 3.28Å; R337-Y344 WeakPolarHBondContact O-CA 3.02Å; R337-D345 HydrophobicContact CB-CB 4.28Å; R337-D345 IonicContact CZ-OD2 3.65Å; R337-D345 PolarHBondContact N-O 3.1Å; R337-D345 IonicContact NE-OD2 3.57Å; R337-D345 PolarHBondContact NE-OD2 3.01Å; R337-D345 VanDerWaalsContact NE-OD2 3.16Å; R337-D345 IonicContact NH2-OD2 2.75Å; R337-D345 PolarHBondContact NH2-OD2 3.1Å; R337-D345 PolarHBondContact O-N 3.02Å
338	K	87.7	Confident	90.6	Very high	46 Å²	46	51.3 Å²	51.3	20%	0.2	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	116.7	173.5	-170.6	-177	173.9	-172.8	0	110.5	Y322 Q323 A340 Y344	Y322-K338 HydrophobicContact CE1-CD 4.36Å; Q323-K338 HydrophobicContact CB-CB 4.21Å; Q323-K338 HydrophobicContact CB-CD 4.39Å; K338-A340 WeakPolarHBondContact CG-O 3.48Å; K338-Y344 HydrophobicContact CB-CD1 4.05Å; K338-Y344 HydrophobicContact CB-CE1 3.91Å; K338-Y344 HydrophobicContact CD-CE1 4.35Å; K338-Y344 HydrophobicContact CG-CD1 4.29Å; K338-Y344 HydrophobicContact CG-CE1 3.86Å
339	Q	83.2	Confident	90.6	Very high	112 Å²	112	51.4 Å²	51.4	52%	0.523	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-48.7	172.5	-71.1	-166.9	3.3	0	0	111.5	L343 D345	Q339-L343 PolarHBondContact N-O 2.91Å; Q339-D345 WeakPolarHBondContact CG-OD2 3.38Å; Q339-D345 PolarHBondContact NE2-OD1 3.05Å; Q339-D345 PolarHBondContact NE2-OD2 3.33Å
340	A	79.4	Confident	90.7	Very high	46 Å²	46	47.9 Å²	47.9	38%	0.38	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	-176.9	-178.2	0	0	0	0	0	109.9	K338 F342 L343	K338-A340 WeakPolarHBondContact CG-O 3.48Å; A340-F342 PolarHBondContact O-N 2.69Å; A340-F342 VanDerWaalsContact O-N 3.17Å; A340-L343 HydrophobicContact CB-CB 4.24Å; A340-L343 HydrophobicContact CB-CD1 4.18Å; A340-L343 PolarHBondContact N-O 3.42Å; A340-L343 PolarHBondContact O-N 3.49Å
341	N	76.9	Confident	90.8	Very high	124 Å²	124	46.3 Å²	46.3	66%	0.663	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	121	174.2	-69.3	-15.1	0	0	0	109.5	L343	N341-L343 PolarHBondContact O-N 2.59Å
342	F	74.6	Confident	90.8	Very high	98 Å²	98	46.5 Å²	46.5	43%	0.43	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	18.1	-179	-44	-76.9	0	0	0	115.6	Q258 A340	Q258-F342 HydrophobicContact CB-CD2 4.43Å; Q258-F342 HydrophobicContact CG-CD2 4.42Å; A340-F342 PolarHBondContact O-N 2.69Å; A340-F342 VanDerWaalsContact O-N 3.17Å
343	L	82.3	Confident	90.6	Very high	69 Å²	69	45.9 Å²	45.9	36%	0.361	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	118.8	173.9	-68.4	177.2	0	0	0	110	Q339 A340 N341	Q339-L343 PolarHBondContact N-O 2.91Å; A340-L343 HydrophobicContact CB-CB 4.24Å; A340-L343 HydrophobicContact CB-CD1 4.18Å; A340-L343 PolarHBondContact N-O 3.42Å; A340-L343 PolarHBondContact O-N 3.49Å; N341-L343 PolarHBondContact O-N 2.59Å
344	Y	87.8	Confident	90.4	Very high	75 Å²	75	50 Å²	50	29%	0.294	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135	-176.1	-59.9	-82.4	0	0	0	111.9	K336 R337 K338 H346	K336-Y344 HydrophobicContact CD-CD1 4.3Å; K336-Y344 HydrophobicContact CG-CD1 4.09Å; K336-Y344 HydrophobicContact CG-CG 4.4Å; R337-Y344 CarbonylContact O-C 3.6Å; R337-Y344 VanDerWaalsContact O-CA 3.28Å; R337-Y344 WeakPolarHBondContact O-CA 3.02Å; K338-Y344 HydrophobicContact CB-CD1 4.05Å; K338-Y344 HydrophobicContact CB-CE1 3.91Å; K338-Y344 HydrophobicContact CD-CE1 4.35Å; K338-Y344 HydrophobicContact CG-CD1 4.29Å; K338-Y344 HydrophobicContact CG-CE1 3.86Å; Y344-H346 PolarHBondContact O-CD2 3.37Å
345	D	91.1	Very high	90.1	Very high	16 Å²	16	52.1 Å²	52.1	9%	0.086	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	126.5	164.1	-74.4	-35	0	0	0	109.2	K336 R337 Q339 I347 T365	K336-D345 WeakPolarHBondContact CA-O 3.5Å; R337-D345 HydrophobicContact CB-CB 4.28Å; R337-D345 IonicContact CZ-OD2 3.65Å; R337-D345 PolarHBondContact N-O 3.1Å; R337-D345 IonicContact NE-OD2 3.57Å; R337-D345 PolarHBondContact NE-OD2 3.01Å; R337-D345 VanDerWaalsContact NE-OD2 3.16Å; R337-D345 IonicContact NH2-OD2 2.75Å; R337-D345 PolarHBondContact NH2-OD2 3.1Å; R337-D345 PolarHBondContact O-N 3.02Å; Q339-D345 WeakPolarHBondContact CG-OD2 3.38Å; Q339-D345 PolarHBondContact NE2-OD1 3.05Å; Q339-D345 PolarHBondContact NE2-OD2 3.33Å; D345-I347 HydrophobicContact CB-CD1 4.34Å; D345-I347 HydrophobicContact CB-CG1 4.13Å; D345-T365 HydrophobicContact CB-CG2 4.43Å
346	H	94.6	Very high	89.9	Confident	25 Å²	25	60 Å²	60	12%	0.116	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	101.2	174.4	-64.8	-98.3	0	0	0	108.8	D262 Y334 Y344 Y348 T365 L366	D262-H346 IonicContact OD2-NE2 3.9Å; D262-H346 PolarHBondContact OD2-NE2 2.61Å; Y334-H346 HydrophobicContact CE2-CB 4.03Å; Y334-H346 AromaticContact CE2-ND1 3.74Å; Y334-H346 AromaticContact CZ-ND1 3.64Å; Y334-H346 PolarHBondContact OH-CE1 3.01Å; Y334-H346 VanDerWaalsContact OH-CE1 3.31Å; Y334-H346 PolarHBondContact OH-ND1 3.3Å; Y344-H346 PolarHBondContact O-CD2 3.37Å; H346-Y348 HydrophobicContact CB-CE2 4.17Å; H346-T365 WeakPolarHBondContact O-CA 3.49Å; H346-L366 HydrophobicContact CB-CB 3.78Å; H346-L366 HydrophobicContact CB-CD2 4.12Å; H346-L366 PolarHBondContact O-N 3.23Å
347	I	95.6	Very high	89.8	Confident	12 Å²	12	58.9 Å²	58.9	6%	0.062	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128.9	-173	-47.7	172.5	0	0	0	109.3	Y334 M335 D345 F349 V363 T365	Y334-I347 WeakPolarHBondContact CA-O 3.3Å; M335-I347 HydrophobicContact CB-CB 4.36Å; M335-I347 HydrophobicContact CE-CD1 4.27Å; M335-I347 PolarHBondContact N-O 3.35Å; M335-I347 PolarHBondContact O-N 3.27Å; D345-I347 HydrophobicContact CB-CD1 4.34Å; D345-I347 HydrophobicContact CB-CG1 4.13Å; I347-F349 HydrophobicContact CB-CE2 4.17Å; I347-F349 HydrophobicContact CG2-CD2 4.28Å; I347-F349 HydrophobicContact CG2-CE2 3.47Å; I347-F349 VanDerWaalsContact CG2-CE2 3.47Å; I347-F349 HydrophobicContact CG2-CZ 3.76Å; I347-V363 HydrophobicContact CG2-CG1 3.76Å; I347-T365 HydrophobicContact CG1-CG2 4.2Å
348	Y	96.6	Very high	89.9	Confident	57 Å²	57	57.5 Å²	57.5	22%	0.224	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	124.5	-179.8	-65.5	-96.5	0	0	0	109.9	F293 Y334 H346 V363 I364 L366	F293-Y348 HydrophobicContact CE1-CD2 4.04Å; F293-Y348 HydrophobicContact CE1-CE2 4.29Å; F293-Y348 AromaticContact CZ-CD2 3.62Å; F293-Y348 HydrophobicContact CZ-CD2 3.62Å; F293-Y348 AromaticContact CZ-CE2 3.56Å; F293-Y348 HydrophobicContact CZ-CE2 3.56Å; F293-Y348 HydrophobicContact CZ-CG 4.29Å; Y334-Y348 HydrophobicContact CD2-CD1 4.01Å; Y334-Y348 HydrophobicContact CD2-CD2 4.45Å; Y334-Y348 AromaticContact CD2-CE1 3.56Å; Y334-Y348 HydrophobicContact CD2-CE1 3.56Å; Y334-Y348 HydrophobicContact CD2-CE2 4.04Å; Y334-Y348 HydrophobicContact CD2-CG 4.45Å; Y334-Y348 AromaticContact CD2-CZ 3.59Å; Y334-Y348 HydrophobicContact CE2-CE1 4.2Å; Y334-Y348 HydrophobicContact CE2-CE2 4.11Å; Y334-Y348 AromaticContact CE2-CZ 3.76Å; Y334-Y348 HydrophobicContact CG-CE1 4.31Å; H346-Y348 HydrophobicContact CB-CE2 4.17Å; Y348-V363 WeakPolarHBondContact O-CA 3.23Å; Y348-I364 PolarHBondContact N-O 3.29Å; Y348-I364 PolarHBondContact O-N 3.28Å; Y348-L366 HydrophobicContact CE2-CB 4.4Å
349	F	96.6	Very high	90.3	Very high	11 Å²	11	56.4 Å²	56.4	5%	0.048	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	111.1	170	-59	-100.3	0	0	0	108.1	H332 I333 M335 I347 M361 T362 V363 M374 M390	H332-F349 CarbonylContact C-O 3.54Å; H332-F349 WeakPolarHBondContact CA-O 3.24Å; H332-F349 VanDerWaalsContact CB-O 3.29Å; H332-F349 WeakPolarHBondContact CB-O 3.49Å; I333-F349 HydrophobicContact CB-CB 4.09Å; I333-F349 HydrophobicContact CB-CD2 4.41Å; I333-F349 PolarHBondContact N-O 3.02Å; I333-F349 PolarHBondContact O-N 2.76Å; M335-F349 HydrophobicContact CB-CE2 4.46Å; M335-F349 HydrophobicContact CE-CD2 4.44Å; M335-F349 HydrophobicContact CE-CE2 3.27Å; M335-F349 HydrophobicContact CE-CZ 3.46Å; M335-F349 VanDerWaalsContact CE-CZ 3.46Å; M335-F349 HydrophobicContact CG-CD2 4.1Å; M335-F349 HydrophobicContact CG-CE2 3.7Å; M335-F349 HydrophobicContact SD-CD2 4.28Å; M335-F349 HydrophobicContact SD-CE2 3.57Å; M335-F349 VanDerWaalsContact SD-CE2 3.57Å; M335-F349 HydrophobicContact SD-CZ 4.14Å; I347-F349 HydrophobicContact CB-CE2 4.17Å; I347-F349 HydrophobicContact CG2-CD2 4.28Å; I347-F349 HydrophobicContact CG2-CE2 3.47Å; I347-F349 VanDerWaalsContact CG2-CE2 3.47Å; I347-F349 HydrophobicContact CG2-CZ 3.76Å; F349-M361 HydrophobicContact CB-CB 4.15Å; F349-M361 HydrophobicContact CB-CG 4.31Å; F349-M361 HydrophobicContact CD1-CB 4.3Å; F349-T362 CarbonylContact C-O 3.49Å; F349-T362 VanDerWaalsContact CA-O 3.22Å; F349-T362 WeakPolarHBondContact CA-O 3.48Å; F349-V363 HydrophobicContact CD1-CB 4.34Å; F349-V363 HydrophobicContact CD1-CG1 4.17Å; F349-V363 HydrophobicContact CD1-CG2 3.54Å; F349-V363 HydrophobicContact CE1-CB 4.16Å; F349-V363 HydrophobicContact CE1-CG1 3.63Å; F349-V363 HydrophobicContact CE1-CG2 3.48Å; F349-V363 VanDerWaalsContact CE1-CG2 3.48Å; F349-V363 HydrophobicContact CZ-CG1 3.84Å; F349-V363 HydrophobicContact CZ-CG2 4.49Å; F349-M374 HydrophobicContact CD1-CE 4.13Å; F349-M374 HydrophobicContact CE1-CE 3.56Å; F349-M390 HydrophobicContact CE1-CE 4.3Å; F349-M390 HydrophobicContact CZ-CE 4.39Å
350	V	96.6	Very high	90.9	Very high	7 Å²	7	51 Å²	51	4%	0.042	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	127.2	-178.7	180	0	0	0	0	110.2	L302 P304 H332 R352 M361 T362	L302-V350 HydrophobicContact CD2-CG2 3.75Å; L302-V350 WeakPolarHBondContact O-CG1 3.46Å; P304-V350 HydrophobicContact CB-CG1 4.03Å; H332-V350 HydrophobicContact CB-CG2 4.14Å; V350-R352 PolarHBondContact O-N 3.29Å; V350-M361 CarbonylContact O-C 3.55Å; V350-M361 VanDerWaalsContact O-CA 3.29Å; V350-M361 WeakPolarHBondContact O-CA 3.04Å; V350-T362 PolarHBondContact N-O 3.23Å; V350-T362 PolarHBondContact O-N 3.48Å
351	C	96.6	Very high	91.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	115	178.3	-162.9	0	0	0	0	110.8	P304 G305 C306 T331 M361	P304-C351 CarbonylContact C-O 3.59Å; P304-C351 WeakPolarHBondContact CA-O 3.3Å; G305-C351 PolarHBondContact N-O 2.95Å; C306-C351 HydrophobicContact CB-CB 4.26Å; C306-C351 WeakPolarHBondContact CB-SG 3.49Å; C306-C351 PolarHBondContact N-O 3.43Å; C306-C351 VanDerWaalsContact SG-CA 3.59Å; C306-C351 WeakPolarHBondContact SG-CB 3.46Å; C306-C351 CovalentContact SG-SG 2.03Å; C306-C351 PolarHBondContact SG-SG 3.4Å; T331-C351 VanDerWaalsContact O-CB 3.3Å; T331-C351 WeakPolarHBondContact O-CB 3.31Å; T331-C351 PolarHBondContact O-N 3.37Å; C351-M361 WeakPolarHBondContact CA-SD 3.43Å; C351-M361 HydrophobicContact CB-SD 3.98Å
352	R	94.5	Very high	92.6	Very high	40 Å²	40	43 Å²	43	15%	0.151	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-45.1	178.1	-58.5	-66.5	-78.7	139.2	-2.7	112.7	E301 Q303 G305 C306 V350 L360 T362 F373 M409	E301-R352 IonicContact OE2-CZ 2.79Å; E301-R352 IonicContact OE2-NE 3.86Å; E301-R352 PolarHBondContact OE2-NE 3.31Å; E301-R352 IonicContact OE2-NH2 2.69Å; E301-R352 PolarHBondContact OE2-NH2 3.19Å; Q303-R352 WeakPolarHBondContact O-CD 3.18Å; Q303-R352 PolarHBondContact O-NH1 3.4Å; G305-R352 CarbonylContact C-O 3.54Å; G305-R352 WeakPolarHBondContact CA-O 3.15Å; C306-R352 PolarHBondContact SG-N 2.87Å; C306-R352 VanDerWaalsContact SG-N 3.43Å; V350-R352 PolarHBondContact O-N 3.29Å; R352-L360 PolarHBondContact N-O 3.27Å; R352-T362 WeakPolarHBondContact CD-OG1 3.42Å; R352-T362 WeakPolarHBondContact CG-OG1 3.18Å; R352-F373 HydrophobicContact CG-CE1 4.15Å; R352-M409 HydrophobicContact CB-CE 3.44Å; R352-M409 VanDerWaalsContact CB-CE 3.44Å; R352-M409 HydrophobicContact CG-CE 4.12Å
353	Q	93.4	Very high	93.6	Very high	43 Å²	43	39.3 Å²	39.3	20%	0.201	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	147.1	178.6	-172.7	170.5	-2.9	0	0	110.3	C306 L360 Y413	C306-Q353 VanDerWaalsContact SG-CA 3.57Å; C306-Q353 PolarHBondContact SG-N 2.94Å; Q353-L360 HydrophobicContact CB-CB 4.43Å; Q353-L360 PolarHBondContact O-N 2.92Å; Q353-Y413 HydrophobicContact CB-CD2 4.03Å; Q353-Y413 HydrophobicContact CG-CD2 3.92Å; Q353-Y413 HydrophobicContact CG-CE2 4.4Å; Q353-Y413 HydrophobicContact CG-CG 4.48Å
354	Q	92.5	Very high	94.2	Very high	88 Å²	88	36 Å²	36	41%	0.411	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	147.4	177.9	69.1	175.8	24	0	0	111	C306 K307 R358 Y359	C306-Q354 HydrophobicContact CB-CB 4.13Å; C306-Q354 HydrophobicContact CB-CG 3.91Å; K307-Q354 PolarHBondContact O-OE1 3.2Å; Q354-R358 WeakPolarHBondContact CA-O 2.95Å; Q354-Y359 HydrophobicContact CB-CD1 3.65Å; Q354-Y359 HydrophobicContact CB-CE1 3.81Å; Q354-Y359 HydrophobicContact CB-CG 4.32Å
355	Q	91.4	Very high	94.5	Very high	87 Å²	87	33.5 Å²	33.5	41%	0.407	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	131.1	159	-49.6	178.3	-9	0	0	108.6	S357 R358 Y413	Q355-S357 PolarHBondContact O-N 2.72Å; Q355-R358 PolarHBondContact N-O 3.26Å; Q355-R358 PolarHBondContact O-N 3.2Å; Q355-R358 VanDerWaalsContact O-O 3.14Å; Q355-Y413 HydrophobicContact CB-CE1 4.36Å; Q355-Y413 WeakPolarHBondContact CB-OH 3.44Å; Q355-Y413 HydrophobicContact CG-CE1 3.75Å; Q355-Y413 HydrophobicContact CG-CE2 4.19Å; Q355-Y413 WeakPolarHBondContact CG-OH 3.14Å; Q355-Y413 PolarHBondContact N-OH 3Å
356	E	90.7	Very high	94.6	Very high	167 Å²	167	34.7 Å²	34.7	78%	0.78	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	-119.1	-179	-57.9	175.5	171.9	0	0	111.8
357	S	92.3	Very high	94.4	Very high	44 Å²	44	33.8 Å²	33.8	31%	0.308	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-3.2	177.7	60.5	0	0	0	0	114.3	Q355 Y359 D377 F378	Q355-S357 PolarHBondContact O-N 2.72Å; S357-Y359 VanDerWaalsContact O-CD2 3.25Å; S357-Y359 WeakPolarHBondContact O-CD2 3.39Å; S357-Y359 WeakPolarHBondContact O-CE2 3.49Å; S357-D377 VanDerWaalsContact CB-OD1 3.26Å; S357-D377 WeakPolarHBondContact CB-OD1 3.49Å; S357-D377 WeakPolarHBondContact O-CA 3.3Å; S357-D377 PolarHBondContact OG-OD1 2.84Å; S357-F378 WeakPolarHBondContact CB-O 3.38Å; S357-F378 PolarHBondContact O-N 3.49Å
358	R	94.4	Very high	94.2	Very high	41 Å²	41	37.1 Å²	37.1	16%	0.155	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	129.2	-174.4	-60.4	-169	-153.3	97.9	19.7	112.5	Q354 Q355 M376 D377 Y413	Q354-R358 WeakPolarHBondContact CA-O 2.95Å; Q355-R358 PolarHBondContact N-O 3.26Å; Q355-R358 PolarHBondContact O-N 3.2Å; Q355-R358 VanDerWaalsContact O-O 3.14Å; R358-M376 CarbonylContact C-O 3.05Å; R358-M376 WeakPolarHBondContact CA-O 3.45Å; R358-D377 HydrophobicContact CG-CB 4.16Å; R358-D377 WeakPolarHBondContact CG-OD1 3.44Å; R358-Y413 PolarHBondContact O-OH 3.22Å
359	Y	95.6	Very high	93.9	Very high	22 Å²	22	36 Å²	36	9%	0.086	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	118.8	-173.6	-63.2	-103.1	0	0	0	109.6	L308 P309 Q354 S357 M361 C375 M376 F378	L308-Y359 HydrophobicContact CD2-CD1 4.12Å; L308-Y359 HydrophobicContact CD2-CE1 4.31Å; P309-Y359 WeakPolarHBondContact CG-OH 3.12Å; Q354-Y359 HydrophobicContact CB-CD1 3.65Å; Q354-Y359 HydrophobicContact CB-CE1 3.81Å; Q354-Y359 HydrophobicContact CB-CG 4.32Å; S357-Y359 VanDerWaalsContact O-CD2 3.25Å; S357-Y359 WeakPolarHBondContact O-CD2 3.39Å; S357-Y359 WeakPolarHBondContact O-CE2 3.49Å; Y359-M361 VanDerWaalsContact CB-CE 3.47Å; Y359-M361 HydrophobicContact CD1-CE 4.45Å; Y359-M361 HydrophobicContact CG-CE 4.18Å; Y359-M361 PolarHBondContact O-N 3.31Å; Y359-C375 CarbonylContact O-C 3.57Å; Y359-C375 WeakPolarHBondContact O-CA 3.36Å; Y359-M376 PolarHBondContact N-O 2.82Å; Y359-M376 PolarHBondContact O-N 2.86Å; Y359-F378 AromaticContact CD2-CD2 3.45Å; Y359-F378 HydrophobicContact CD2-CD2 3.45Å; Y359-F378 VanDerWaalsContact CD2-CD2 3.45Å; Y359-F378 AromaticContact CD2-CE2 3.97Å; Y359-F378 HydrophobicContact CD2-CE2 3.97Å; Y359-F378 AromaticContact CE2-CD2 3.77Å; Y359-F378 HydrophobicContact CE2-CD2 3.77Å; Y359-F378 HydrophobicContact CG-CD2 4.16Å; Y359-F378 HydrophobicContact CG-CE2 4.22Å
360	L	95.6	Very high	93.4	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	115.6	171.1	-179	69	0	0	0	109	R352 Q353 F373 M409 Y413 A416	R352-L360 PolarHBondContact N-O 3.27Å; Q353-L360 HydrophobicContact CB-CB 4.43Å; Q353-L360 PolarHBondContact O-N 2.92Å; L360-F373 HydrophobicContact CD1-CB 4.19Å; L360-F373 HydrophobicContact CD1-CD1 4.5Å; L360-F373 HydrophobicContact CD2-CD1 4.39Å; L360-F373 HydrophobicContact CG-CD1 4.33Å; L360-M409 HydrophobicContact CD2-CE 3.58Å; L360-Y413 HydrophobicContact CB-CD2 3.77Å; L360-Y413 HydrophobicContact CB-CE2 4.32Å; L360-Y413 HydrophobicContact CD2-CD2 4.38Å; L360-A416 HydrophobicContact CD1-CB 3.82Å
361	M	95.9	Very high	93.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	135.5	178.9	-57.6	-56.5	-175.8	0	0	110.6	L308 F349 V350 C351 Y359 F373 M374 M376 F378	L308-M361 HydrophobicContact CD2-CE 3.49Å; L308-M361 VanDerWaalsContact CD2-CE 3.49Å; L308-M361 HydrophobicContact CG-CE 4.41Å; F349-M361 HydrophobicContact CB-CB 4.15Å; F349-M361 HydrophobicContact CB-CG 4.31Å; F349-M361 HydrophobicContact CD1-CB 4.3Å; V350-M361 CarbonylContact O-C 3.55Å; V350-M361 VanDerWaalsContact O-CA 3.29Å; V350-M361 WeakPolarHBondContact O-CA 3.04Å; C351-M361 WeakPolarHBondContact CA-SD 3.43Å; C351-M361 HydrophobicContact CB-SD 3.98Å; Y359-M361 VanDerWaalsContact CB-CE 3.47Å; Y359-M361 HydrophobicContact CD1-CE 4.45Å; Y359-M361 HydrophobicContact CG-CE 4.18Å; Y359-M361 PolarHBondContact O-N 3.31Å; M361-F373 CarbonylContact O-C 3.59Å; M361-F373 WeakPolarHBondContact O-CA 3.04Å; M361-M374 PolarHBondContact N-O 2.73Å; M361-M374 PolarHBondContact O-N 2.01Å; M361-M376 HydrophobicContact CB-CG 4.47Å; M361-M376 HydrophobicContact CE-CB 4.37Å; M361-M376 HydrophobicContact CE-CG 4.39Å; M361-M376 HydrophobicContact CG-CB 4.23Å; M361-M376 HydrophobicContact CG-CG 3.56Å; M361-F378 HydrophobicContact CE-CE2 3.89Å; M361-F378 HydrophobicContact CE-CZ 4.38Å
362	T	95.5	Very high	93	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	129.6	158.6	-47.8	0	0	0	0	108	E301 F349 V350 R352 I364 D372 F373	E301-T362 HydrophobicContact CB-CG2 3.79Å; E301-T362 PolarHBondContact O-OG1 3.32Å; F349-T362 CarbonylContact C-O 3.49Å; F349-T362 VanDerWaalsContact CA-O 3.22Å; F349-T362 WeakPolarHBondContact CA-O 3.48Å; V350-T362 PolarHBondContact N-O 3.23Å; V350-T362 PolarHBondContact O-N 3.48Å; R352-T362 WeakPolarHBondContact CD-OG1 3.42Å; R352-T362 WeakPolarHBondContact CG-OG1 3.18Å; T362-I364 HydrophobicContact CG2-CD1 3.77Å; T362-I364 HydrophobicContact CG2-CG1 3.79Å; T362-D372 CarbonylContact C-O 3.53Å; T362-D372 WeakPolarHBondContact CA-O 3.37Å; T362-F373 HydrophobicContact CG2-CE1 4.35Å; T362-F373 HydrophobicContact CG2-CE2 4.43Å; T362-F373 HydrophobicContact CG2-CZ 4.2Å; T362-F373 WeakPolarHBondContact OG1-CE1 3.42Å
363	V	95.2	Very high	93	Very high	21 Å²	21	40.3 Å²	40.3	13%	0.127	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	116.9	175.1	-168.3	0	0	0	0	108.6	I347 Y348 F349 D372 M374	I347-V363 HydrophobicContact CG2-CG1 3.76Å; Y348-V363 WeakPolarHBondContact O-CA 3.23Å; F349-V363 HydrophobicContact CD1-CB 4.34Å; F349-V363 HydrophobicContact CD1-CG1 4.17Å; F349-V363 HydrophobicContact CD1-CG2 3.54Å; F349-V363 HydrophobicContact CE1-CB 4.16Å; F349-V363 HydrophobicContact CE1-CG1 3.63Å; F349-V363 HydrophobicContact CE1-CG2 3.48Å; F349-V363 VanDerWaalsContact CE1-CG2 3.48Å; F349-V363 HydrophobicContact CZ-CG1 3.84Å; F349-V363 HydrophobicContact CZ-CG2 4.49Å; V363-D372 HydrophobicContact CB-CB 4.31Å; V363-D372 PolarHBondContact N-O 3.1Å; V363-D372 PolarHBondContact O-N 2.72Å; V363-D372 VanDerWaalsContact O-N 3.11Å; V363-M374 HydrophobicContact CG2-CB 3.76Å; V363-M374 HydrophobicContact CG2-CE 4.33Å
364	I	94.9	Very high	93	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	127.3	177.9	-61.4	173.5	0	0	0	108.4	F293 Q298 E301 L302 Y348 T362 T371	F293-I364 HydrophobicContact CD1-CG2 3.71Å; F293-I364 HydrophobicContact CE1-CG2 3.72Å; Q298-I364 HydrophobicContact CB-CD1 4.19Å; Q298-I364 HydrophobicContact CG-CD1 4.36Å; Q298-I364 HydrophobicContact CG-CG2 4.29Å; E301-I364 HydrophobicContact CB-CD1 4.29Å; L302-I364 HydrophobicContact CD2-CB 4.36Å; L302-I364 HydrophobicContact CD2-CD1 3.72Å; L302-I364 HydrophobicContact CD2-CG1 4.48Å; L302-I364 HydrophobicContact CG-CD1 3.75Å; Y348-I364 PolarHBondContact N-O 3.29Å; Y348-I364 PolarHBondContact O-N 3.28Å; T362-I364 HydrophobicContact CG2-CD1 3.77Å; T362-I364 HydrophobicContact CG2-CG1 3.79Å; I364-T371 HydrophobicContact CD1-CG2 4.15Å; I364-T371 HydrophobicContact CG1-CG2 4.17Å
365	T	94	Very high	93.1	Very high	21 Å²	21	34.9 Å²	34.9	13%	0.129	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	127.6	171.9	-52.8	0	0	0	0	109	D345 H346 I347 G367 K368	D345-T365 HydrophobicContact CB-CG2 4.43Å; H346-T365 WeakPolarHBondContact O-CA 3.49Å; I347-T365 HydrophobicContact CG1-CG2 4.2Å; T365-G367 PolarHBondContact O-N 2.85Å; T365-K368 HydrophobicContact CG2-CD 3.91Å; T365-K368 HydrophobicContact CG2-CG 4.01Å; T365-K368 PolarHBondContact O-N 3.33Å
366	L	93.4	Very high	93.2	Very high	41 Å²	41	30.8 Å²	30.8	22%	0.215	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	132.1	177.3	-172.3	68.9	0	0	0	110.2	P291 F293 H346 Y348 K368	P291-L366 HydrophobicContact CB-CD2 3.98Å; P291-L366 HydrophobicContact CB-CG 3.77Å; F293-L366 HydrophobicContact CD1-CD1 4.02Å; F293-L366 HydrophobicContact CD2-CD1 3.96Å; F293-L366 HydrophobicContact CE1-CB 4.28Å; F293-L366 HydrophobicContact CE1-CD1 3.74Å; F293-L366 HydrophobicContact CE2-CD1 3.67Å; F293-L366 HydrophobicContact CG-CD1 4.13Å; F293-L366 HydrophobicContact CZ-CB 4.46Å; F293-L366 HydrophobicContact CZ-CD1 3.57Å; H346-L366 HydrophobicContact CB-CB 3.78Å; H346-L366 HydrophobicContact CB-CD2 4.12Å; H346-L366 PolarHBondContact O-N 3.23Å; Y348-L366 HydrophobicContact CE2-CB 4.4Å; L366-K368 PolarHBondContact O-N 3.45Å
367	G	91.5	Very high	93.4	Very high	7 Å²	7	23.1 Å²	23.1	7%	0.072	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	-10.9	-177.8	0	0	0	0	0	114.9	G153 V154 A292 T365	G153-G367 CarbonylContact C-O 3.59Å; G153-G367 WeakPolarHBondContact CA-O 3.14Å; V154-G367 PolarHBondContact N-O 3.33Å; V154-G367 WeakPolarHBondContact O-CA 3.32Å; A292-G367 PolarHBondContact O-N 3.06Å; T365-G367 PolarHBondContact O-N 2.85Å
368	K	91.4	Very high	93.5	Very high	82 Å²	82	21.4 Å²	21.4	36%	0.357	11%	0.108	S	C	.	.			trans	-94.1	157.4	171.3	-60.7	-168.7	-176.9	173.3	0	110.6	Q298 T365 L366	Q298-K368 PolarHBondContact NE2-O 3.43Å; T365-K368 HydrophobicContact CG2-CD 3.91Å; T365-K368 HydrophobicContact CG2-CG 4.01Å; T365-K368 PolarHBondContact O-N 3.33Å; L366-K368 PolarHBondContact O-N 3.45Å
369	C	89	Confident	93.3	Very high	33 Å²	33	21.7 Å²	21.7	22%	0.223	11%	0.112	C	C	.	.			trans	-90.7	-14.8	-179.1	-57.2	0	0	0	0	114.1	C178	C178-C369 WeakPolarHBondContact CA-SG 3.44Å; C178-C369 HydrophobicContact CB-CB 3.51Å; C178-C369 WeakPolarHBondContact CB-SG 3.41Å; C178-C369 WeakPolarHBondContact SG-CB 3.44Å; C178-C369 CovalentContact SG-SG 2.01Å; C178-C369 PolarHBondContact SG-SG 3.37Å
370	E	88.1	Confident	93.2	Very high	95 Å²	95	24.7 Å²	24.7	44%	0.444	13%	0.134	S	C	.	.			trans	-77.5	140.2	-172.2	-64.7	171.2	159.4	0	0	110.3	Q298	Q298-E370 PolarHBondContact NE2-O 3.01Å
371	T	91.3	Very high	93	Very high	18 Å²	18	29 Å²	29	11%	0.11	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	107.2	172.1	51.1	0	0	0	0	107.7	Q298 I364 L396	Q298-T371 HydrophobicContact CB-CG2 4.37Å; Q298-T371 HydrophobicContact CG-CG2 3.43Å; Q298-T371 VanDerWaalsContact CG-CG2 3.43Å; I364-T371 HydrophobicContact CD1-CG2 4.15Å; I364-T371 HydrophobicContact CG1-CG2 4.17Å; T371-L396 PolarHBondContact O-N 3.16Å
372	D	92.4	Very high	92.7	Very high	35 Å²	35	29.9 Å²	29.9	19%	0.187	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	154	-179.8	-61.6	-35.2	0	0	0	110.2	T362 V363 P393 P395	T362-D372 CarbonylContact C-O 3.53Å; T362-D372 WeakPolarHBondContact CA-O 3.37Å; V363-D372 HydrophobicContact CB-CB 4.31Å; V363-D372 PolarHBondContact N-O 3.1Å; V363-D372 PolarHBondContact O-N 2.72Å; V363-D372 VanDerWaalsContact O-N 3.11Å; D372-P393 HydrophobicContact CB-CB 4.06Å; D372-P395 VanDerWaalsContact OD1-CA 3.23Å; D372-P395 WeakPolarHBondContact OD1-CA 3.45Å; D372-P395 WeakPolarHBondContact OD1-CB 3.03Å
373	F	93.8	Very high	92.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	132.9	170	-71.3	-101.8	0	0	0	109.1	E301 R352 L360 M361 T362 P393 F394 L396 M409 L412	E301-F373 HydrophobicContact CG-CZ 4.22Å; E301-F373 WeakPolarHBondContact OE2-CZ 3.41Å; R352-F373 HydrophobicContact CG-CE1 4.15Å; L360-F373 HydrophobicContact CD1-CB 4.19Å; L360-F373 HydrophobicContact CD1-CD1 4.5Å; L360-F373 HydrophobicContact CD2-CD1 4.39Å; L360-F373 HydrophobicContact CG-CD1 4.33Å; M361-F373 CarbonylContact O-C 3.59Å; M361-F373 WeakPolarHBondContact O-CA 3.04Å; T362-F373 HydrophobicContact CG2-CE1 4.35Å; T362-F373 HydrophobicContact CG2-CE2 4.43Å; T362-F373 HydrophobicContact CG2-CZ 4.2Å; T362-F373 WeakPolarHBondContact OG1-CE1 3.42Å; F373-P393 CarbonylContact O-C 3.52Å; F373-F394 PolarHBondContact N-O 3.47Å; F373-F394 PolarHBondContact O-N 2.84Å; F373-L396 HydrophobicContact CD2-CB 3.91Å; F373-L396 HydrophobicContact CE2-CB 3.59Å; F373-L396 HydrophobicContact CE2-CD2 3.56Å; F373-L396 HydrophobicContact CE2-CG 4.09Å; F373-L396 HydrophobicContact CZ-CD2 4.04Å; F373-M409 HydrophobicContact CE1-CE 4.05Å; F373-M409 HydrophobicContact CE1-SD 4.04Å; F373-L412 HydrophobicContact CB-CD1 4.4Å; F373-L412 HydrophobicContact CB-CD2 3.61Å; F373-L412 HydrophobicContact CB-CG 4.07Å; F373-L412 HydrophobicContact CD1-CD2 3.49Å; F373-L412 VanDerWaalsContact CD1-CD2 3.49Å; F373-L412 HydrophobicContact CD1-CG 4.5Å; F373-L412 HydrophobicContact CD2-CD2 3.53Å; F373-L412 HydrophobicContact CE1-CD2 3.94Å; F373-L412 HydrophobicContact CE2-CD2 4.02Å; F373-L412 HydrophobicContact CG-CD2 3.24Å; F373-L412 HydrophobicContact CG-CG 4.22Å; F373-L412 HydrophobicContact CZ-CD2 4.19Å
374	M	93.7	Very high	92.4	Very high	18 Å²	18	31.4 Å²	31.4	9%	0.089	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	137.1	-177.1	-166.6	176.7	69.2	0	0	109.2	F349 M361 V363 M376 M390 G391	F349-M374 HydrophobicContact CD1-CE 4.13Å; F349-M374 HydrophobicContact CE1-CE 3.56Å; M361-M374 PolarHBondContact N-O 2.73Å; M361-M374 PolarHBondContact O-N 2.01Å; V363-M374 HydrophobicContact CG2-CB 3.76Å; V363-M374 HydrophobicContact CG2-CE 4.33Å; M374-M376 HydrophobicContact CE-SD 3.83Å; M374-M390 HydrophobicContact CE-CB 3.9Å; M374-M390 HydrophobicContact CE-CE 3.99Å; M374-M390 HydrophobicContact CE-CG 3.52Å; M374-M390 HydrophobicContact CE-SD 3.79Å; M374-M390 HydrophobicContact SD-CB 3.98Å; M374-M390 HydrophobicContact SD-CG 4.26Å; M374-G391 WeakPolarHBondContact CG-O 2.97Å
375	C	94.5	Very high	92.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	135.8	174.4	-161.2	0	0	0	0	110.8	Y359 G391 A416 C417 F422	Y359-C375 CarbonylContact O-C 3.57Å; Y359-C375 WeakPolarHBondContact O-CA 3.36Å; C375-G391 PolarHBondContact O-N 3.32Å; C375-A416 VanDerWaalsContact CB-O 3.26Å; C375-A416 WeakPolarHBondContact CB-O 3.27Å; C375-C417 HydrophobicContact CB-CB 3.86Å; C375-C417 WeakPolarHBondContact CB-SG 3.1Å; C375-C417 WeakPolarHBondContact SG-CA 3.48Å; C375-C417 WeakPolarHBondContact SG-CB 3.41Å; C375-C417 CovalentContact SG-SG 2.04Å; C375-C417 PolarHBondContact SG-SG 2.86Å; C375-F422 HydrophobicContact CB-CE1 4.43Å; C375-F422 HydrophobicContact CB-CZ 3.83Å; C375-F422 WeakPolarHBondContact O-CE1 3.3Å
376	M	94.5	Very high	92.5	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.7	174.5	-66.6	-74	-72.6	0	0	108.9	R358 Y359 M361 M374 F378 F388 R389 M390	R358-M376 CarbonylContact C-O 3.05Å; R358-M376 WeakPolarHBondContact CA-O 3.45Å; Y359-M376 PolarHBondContact N-O 2.82Å; Y359-M376 PolarHBondContact O-N 2.86Å; M361-M376 HydrophobicContact CB-CG 4.47Å; M361-M376 HydrophobicContact CE-CB 4.37Å; M361-M376 HydrophobicContact CE-CG 4.39Å; M361-M376 HydrophobicContact CG-CB 4.23Å; M361-M376 HydrophobicContact CG-CG 3.56Å; M374-M376 HydrophobicContact CE-SD 3.83Å; M376-F378 HydrophobicContact CB-CD2 4.34Å; M376-F378 HydrophobicContact CB-CE2 3.69Å; M376-F378 HydrophobicContact CB-CZ 3.99Å; M376-F378 HydrophobicContact CE-CE1 3.85Å; M376-F378 HydrophobicContact CE-CE2 4.45Å; M376-F378 HydrophobicContact CE-CZ 3.58Å; M376-F378 HydrophobicContact CG-CZ 4.44Å; M376-F388 HydrophobicContact CE-CB 4.28Å; M376-F388 HydrophobicContact CE-CD2 3.3Å; M376-F388 HydrophobicContact CE-CE2 3.74Å; M376-F388 HydrophobicContact CE-CG 3.82Å; M376-F388 HydrophobicContact SD-CD2 4.17Å; M376-R389 CarbonylContact C-O 3.48Å; M376-R389 VanDerWaalsContact CA-O 3.28Å; M376-R389 WeakPolarHBondContact CA-O 3.47Å; M376-M390 HydrophobicContact CE-CE 3.72Å; M376-M390 HydrophobicContact CE-CG 4.15Å; M376-M390 HydrophobicContact SD-CB 4.31Å; M376-M390 HydrophobicContact SD-CE 3.65Å; M376-M390 HydrophobicContact SD-CG 3.25Å; M376-M390 WeakPolarHBondContact SD-CG 3.42Å; M376-M390 HydrophobicContact SD-SD 4.28Å
377	D	93.5	Very high	92.5	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.027	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	117.4	171.5	-177.1	42.3	0	0	0	109.2	S357 R358 F388 R389 F422	S357-D377 VanDerWaalsContact CB-OD1 3.26Å; S357-D377 WeakPolarHBondContact CB-OD1 3.49Å; S357-D377 WeakPolarHBondContact O-CA 3.3Å; S357-D377 PolarHBondContact OG-OD1 2.84Å; R358-D377 HydrophobicContact CG-CB 4.16Å; R358-D377 WeakPolarHBondContact CG-OD1 3.44Å; D377-F388 CarbonylContact O-C 3.45Å; D377-F388 WeakPolarHBondContact O-CA 3.28Å; D377-F388 WeakPolarHBondContact O-CB 3.21Å; D377-R389 HydrophobicContact CB-CB 4.38Å; D377-R389 PolarHBondContact N-O 2.71Å; D377-R389 PolarHBondContact O-N 2.99Å; D377-F422 HydrophobicContact CB-CE1 4.19Å; D377-F422 HydrophobicContact CB-CZ 4.07Å
378	F	94.4	Very high	92.6	Very high	9 Å²	9	29.2 Å²	29.2	4%	0.039	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	134.6	-176.5	-68.8	-78.3	0	0	0	111.8	L308 F312 I333 S357 Y359 M361 M376 I386 F388	L308-F378 HydrophobicContact CD2-CE2 3.99Å; L308-F378 HydrophobicContact CD2-CZ 4.47Å; F312-F378 HydrophobicContact CD2-CD1 4.33Å; F312-F378 HydrophobicContact CE2-CB 3.83Å; F312-F378 AromaticContact CE2-CD1 3.56Å; F312-F378 HydrophobicContact CE2-CD1 3.56Å; F312-F378 HydrophobicContact CE2-CD2 4.29Å; F312-F378 HydrophobicContact CE2-CE1 4.19Å; F312-F378 AromaticContact CE2-CG 3.64Å; F312-F378 HydrophobicContact CE2-CG 3.64Å; F312-F378 HydrophobicContact CZ-CB 4.08Å; F312-F378 HydrophobicContact CZ-CD1 4.35Å; F312-F378 HydrophobicContact CZ-CG 4.37Å; I333-F378 HydrophobicContact CD1-CE1 4.45Å; I333-F378 HydrophobicContact CD1-CZ 3.77Å; S357-F378 WeakPolarHBondContact CB-O 3.38Å; S357-F378 PolarHBondContact O-N 3.49Å; Y359-F378 AromaticContact CD2-CD2 3.45Å; Y359-F378 HydrophobicContact CD2-CD2 3.45Å; Y359-F378 VanDerWaalsContact CD2-CD2 3.45Å; Y359-F378 AromaticContact CD2-CE2 3.97Å; Y359-F378 HydrophobicContact CD2-CE2 3.97Å; Y359-F378 AromaticContact CE2-CD2 3.77Å; Y359-F378 HydrophobicContact CE2-CD2 3.77Å; Y359-F378 HydrophobicContact CG-CD2 4.16Å; Y359-F378 HydrophobicContact CG-CE2 4.22Å; M361-F378 HydrophobicContact CE-CE2 3.89Å; M361-F378 HydrophobicContact CE-CZ 4.38Å; M376-F378 HydrophobicContact CB-CD2 4.34Å; M376-F378 HydrophobicContact CB-CE2 3.69Å; M376-F378 HydrophobicContact CB-CZ 3.99Å; M376-F378 HydrophobicContact CE-CE1 3.85Å; M376-F378 HydrophobicContact CE-CE2 4.45Å; M376-F378 HydrophobicContact CE-CZ 3.58Å; M376-F378 HydrophobicContact CG-CZ 4.44Å; F378-I386 HydrophobicContact CD1-CG2 3.86Å; F378-I386 HydrophobicContact CE1-CG2 4.3Å; F378-F388 HydrophobicContact CD1-CB 3.47Å; F378-F388 VanDerWaalsContact CD1-CB 3.47Å; F378-F388 HydrophobicContact CD1-CG 4.35Å; F378-F388 HydrophobicContact CE1-CB 3.69Å; F378-F388 HydrophobicContact CE1-CD1 4.46Å; F378-F388 HydrophobicContact CE1-CG 4.13Å; F378-F388 HydrophobicContact CG-CB 4.29Å
379	M	91.9	Very high	92.5	Very high	47 Å²	47	27 Å²	27	23%	0.232	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-81.9	155.6	162.8	-59.8	-163.7	92.5	0	0	110.5	R381 R387 Y431	M379-R381 PolarHBondContact O-N 2.65Å; M379-R387 HydrophobicContact CB-CB 4.16Å; M379-R387 HydrophobicContact CG-CB 4.22Å; M379-R387 PolarHBondContact N-O 3.13Å; M379-R387 HydrophobicContact SD-CB 4.22Å; M379-R387 VanDerWaalsContact SD-CZ 3.58Å; M379-Y431 HydrophobicContact CE-CE2 4.36Å; M379-Y431 HydrophobicContact CG-CD1 3.93Å; M379-Y431 HydrophobicContact CG-CE1 3.46Å; M379-Y431 VanDerWaalsContact CG-CE1 3.46Å; M379-Y431 HydrophobicContact CG-CE2 4.43Å; M379-Y431 HydrophobicContact SD-CD1 4.07Å; M379-Y431 HydrophobicContact SD-CD2 4.02Å; M379-Y431 HydrophobicContact SD-CE1 3.81Å; M379-Y431 HydrophobicContact SD-CE2 3.7Å; M379-Y431 HydrophobicContact SD-CG 4.2Å
380	P	91.8	Very high	92.6	Very high	85 Å²	85	28 Å²	28	55%	0.552	14%	0.136	S	C	*	.	P	Polyproline II helix	trans	-55.1	135.2	171.5	-23.2	33.3	0	0	0	111.1	H382 Y617	P380-H382 PolarHBondContact O-N 2.96Å; P380-Y617 HydrophobicContact CB-CE1 3.8Å; P380-Y617 WeakPolarHBondContact O-CE1 3.22Å; P380-Y617 PolarHBondContact O-OH 3.23Å
381	R	92	Very high	92.7	Very high	89 Å²	89	23.7 Å²	23.7	34%	0.336	12%	0.117	S	C	.	.	P	Polyproline II helix	trans	-56.5	136.3	177.1	-177	177.6	70.9	89.4	-3.8	109.8	N311 F312 M379 H383 I386	N311-R381 VanDerWaalsContact O-CD 3.25Å; N311-R381 WeakPolarHBondContact O-CD 3.46Å; N311-R381 PolarHBondContact O-NE 2.85Å; F312-R381 HydrophobicContact CD1-CB 4.01Å; F312-R381 HydrophobicContact CE1-CB 3.67Å; M379-R381 PolarHBondContact O-N 2.65Å; R381-H383 PolarHBondContact NH1-O 3.27Å; R381-I386 HydrophobicContact CB-CG1 4.31Å; R381-I386 HydrophobicContact CG-CG1 4.06Å
382	H	90.8	Very high	92.6	Very high	19 Å²	19	28.1 Å²	28.1	9%	0.088	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-134	130.9	174.2	173.6	62.9	0	0	0	109.5	P380 N384 I385 Y530 P616 Y617	P380-H382 PolarHBondContact O-N 2.96Å; H382-N384 PolarHBondContact O-N 3.05Å; H382-I385 PolarHBondContact N-O 3.14Å; H382-I385 VanDerWaalsContact N-O 3.11Å; H382-I385 PolarHBondContact O-N 3.02Å; H382-I385 VanDerWaalsContact O-O 3.08Å; H382-Y530 PolarHBondContact CD2-O 3.21Å; H382-Y530 PolarHBondContact NE2-O 3.01Å; H382-P616 HydrophobicContact CB-CB 4.4Å; H382-P616 WeakPolarHBondContact CD2-CB 3.05Å; H382-P616 VanDerWaalsContact CE1-CB 3.42Å; H382-P616 WeakPolarHBondContact CE1-CB 3.32Å; H382-P616 PolarHBondContact CE1-O 3.06Å; H382-P616 PolarHBondContact ND1-O 3.21Å; H382-P616 WeakPolarHBondContact NE2-CB 3.12Å; H382-Y617 HydrophobicContact CB-CD1 4.31Å; H382-Y617 HydrophobicContact CB-CE1 3.71Å
383	H	90.5	Very high	92.6	Very high	53 Å²	53	30 Å²	30	25%	0.245	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.5	-133.1	-171	-59.5	150.5	0	0	0	110.9	R381 I385 I442 Y530	R381-H383 PolarHBondContact NH1-O 3.27Å; H383-I385 VanDerWaalsContact C-N 3.29Å; H383-I385 PolarHBondContact O-N 2.9Å; H383-I442 HydrophobicContact CB-CD1 4.18Å; H383-I442 HydrophobicContact CB-CG2 4.19Å; H383-I442 VanDerWaalsContact ND1-CD1 3.29Å; H383-I442 WeakPolarHBondContact ND1-CD1 3.23Å; H383-Y530 AromaticContact CE1-CE1 3.57Å; H383-Y530 AromaticContact CE1-CZ 3.64Å
384	N	93.9	Very high	92.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	29	176.9	-57.8	-72.8	0	0	0	112.7	W316 H382 V435 Q436 T440 V528	W316-N384 WeakPolarHBondContact CZ3-O 3.43Å; H382-N384 PolarHBondContact O-N 3.05Å; N384-V435 WeakPolarHBondContact O-CA 3.46Å; N384-Q436 HydrophobicContact CB-CB 3.75Å; N384-Q436 PolarHBondContact O-N 3.36Å; N384-Q436 PolarHBondContact OD1-OE1 3.23Å; N384-T440 PolarHBondContact ND2-O 2.8Å; N384-T440 PolarHBondContact ND2-OG1 3.03Å; N384-T440 WeakPolarHBondContact OD1-CB 3.46Å; N384-T440 PolarHBondContact OD1-N 2.78Å; N384-T440 PolarHBondContact OD1-OG1 3.36Å; N384-V528 HydrophobicContact CB-CG1 3.63Å; N384-V528 PolarHBondContact ND2-O 2.92Å
385	I	94.6	Very high	92.1	Very high	5 Å²	5	33.8 Å²	33.8	3%	0.026	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	129.8	-172.3	-54.3	-173	0	0	0	110.8	H382 H383 R387 Y433 F434 W531 V540	H382-I385 PolarHBondContact N-O 3.14Å; H382-I385 VanDerWaalsContact N-O 3.11Å; H382-I385 PolarHBondContact O-N 3.02Å; H382-I385 VanDerWaalsContact O-O 3.08Å; H383-I385 VanDerWaalsContact C-N 3.29Å; H383-I385 PolarHBondContact O-N 2.9Å; I385-R387 HydrophobicContact CG2-CG 4.06Å; I385-Y433 HydrophobicContact CG2-CD2 4.31Å; I385-Y433 HydrophobicContact CG2-CG 4.4Å; I385-F434 WeakPolarHBondContact CA-O 3.47Å; I385-W531 HydrophobicContact CD1-CE3 3.7Å; I385-W531 HydrophobicContact CD1-CH2 4.29Å; I385-W531 HydrophobicContact CD1-CZ3 3.29Å; I385-W531 HydrophobicContact CG2-CZ3 4.46Å; I385-V540 HydrophobicContact CD1-CB 4.36Å; I385-V540 HydrophobicContact CD1-CG2 4.11Å
386	I	94.9	Very high	91.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	116.2	169.3	-61.7	166.9	0	0	0	107.3	F312 W316 I328 F378 R381 Y433 F434	F312-I386 HydrophobicContact CB-CD1 3.73Å; F312-I386 HydrophobicContact CD1-CD1 3.74Å; F312-I386 HydrophobicContact CD1-CG1 3.95Å; F312-I386 HydrophobicContact CD2-CD1 4.11Å; F312-I386 HydrophobicContact CD2-CG2 4.19Å; F312-I386 HydrophobicContact CE1-CD1 4.41Å; F312-I386 HydrophobicContact CE1-CG1 4.18Å; F312-I386 HydrophobicContact CE1-CG2 4.28Å; F312-I386 HydrophobicContact CE2-CG2 3.83Å; F312-I386 HydrophobicContact CG-CD1 3.59Å; F312-I386 HydrophobicContact CG-CG1 4.25Å; F312-I386 HydrophobicContact CZ-CG2 3.88Å; W316-I386 HydrophobicContact CD2-CD1 3.94Å; W316-I386 HydrophobicContact CE3-CD1 4.01Å; W316-I386 HydrophobicContact CE3-CG1 4.32Å; W316-I386 HydrophobicContact CH2-CD1 3.56Å; W316-I386 HydrophobicContact CH2-CG1 3.72Å; W316-I386 HydrophobicContact CZ2-CD1 3.39Å; W316-I386 HydrophobicContact CZ2-CG1 4.09Å; W316-I386 HydrophobicContact CZ3-CD1 3.82Å; W316-I386 HydrophobicContact CZ3-CG1 3.8Å; I328-I386 HydrophobicContact CD1-CD1 3.95Å; F378-I386 HydrophobicContact CD1-CG2 3.86Å; F378-I386 HydrophobicContact CE1-CG2 4.3Å; R381-I386 HydrophobicContact CB-CG1 4.31Å; R381-I386 HydrophobicContact CG-CG1 4.06Å; I386-Y433 CarbonylContact O-C 3.48Å; I386-Y433 WeakPolarHBondContact O-CA 3.44Å; I386-F434 HydrophobicContact CB-CB 4.33Å; I386-F434 HydrophobicContact CB-CD2 4.43Å; I386-F434 HydrophobicContact CG2-CD2 4.45Å; I386-F434 PolarHBondContact N-O 2.87Å; I386-F434 PolarHBondContact O-N 3.06Å
387	R	93.4	Very high	90.9	Very high	19 Å²	19	38.7 Å²	38.7	7%	0.072	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	136.9	175.2	-65.5	-179.1	-67.3	168.6	-0.5	109.8	M379 I385 Y431 E432 W531 Y617	M379-R387 HydrophobicContact CB-CB 4.16Å; M379-R387 HydrophobicContact CG-CB 4.22Å; M379-R387 PolarHBondContact N-O 3.13Å; M379-R387 HydrophobicContact SD-CB 4.22Å; M379-R387 VanDerWaalsContact SD-CZ 3.58Å; I385-R387 HydrophobicContact CG2-CG 4.06Å; R387-Y431 HydrophobicContact CB-CD1 4.34Å; R387-Y431 HydrophobicContact CB-CG 4.41Å; R387-E432 CarbonylContact C-O 3.54Å; R387-E432 VanDerWaalsContact CA-O 3.32Å; R387-E432 WeakPolarHBondContact CA-O 3.3Å; R387-W531 VanDerWaalsContact NH1-CD1 3.28Å; R387-Y617 PolarHBondContact NH2-OH 3.13Å
388	F	93.7	Very high	90.1	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	166.2	-178.3	67.1	-89.3	0	0	0	112.4	Y318 M376 D377 F378 M390 E432 F434	Y318-F388 HydrophobicContact CD2-CZ 4.35Å; Y318-F388 HydrophobicContact CE2-CE1 4.49Å; Y318-F388 AromaticContact CE2-CZ 3.83Å; Y318-F388 HydrophobicContact CE2-CZ 3.83Å; M376-F388 HydrophobicContact CE-CB 4.28Å; M376-F388 HydrophobicContact CE-CD2 3.3Å; M376-F388 HydrophobicContact CE-CE2 3.74Å; M376-F388 HydrophobicContact CE-CG 3.82Å; M376-F388 HydrophobicContact SD-CD2 4.17Å; D377-F388 CarbonylContact O-C 3.45Å; D377-F388 WeakPolarHBondContact O-CA 3.28Å; D377-F388 WeakPolarHBondContact O-CB 3.21Å; F378-F388 HydrophobicContact CD1-CB 3.47Å; F378-F388 VanDerWaalsContact CD1-CB 3.47Å; F378-F388 HydrophobicContact CD1-CG 4.35Å; F378-F388 HydrophobicContact CE1-CB 3.69Å; F378-F388 HydrophobicContact CE1-CD1 4.46Å; F378-F388 HydrophobicContact CE1-CG 4.13Å; F378-F388 HydrophobicContact CG-CB 4.29Å; F388-M390 HydrophobicContact CD2-CE 4.37Å; F388-M390 HydrophobicContact CD2-CG 4.05Å; F388-M390 HydrophobicContact CE2-CE 3.54Å; F388-M390 HydrophobicContact CE2-CG 3.77Å; F388-M390 HydrophobicContact CE2-SD 3.84Å; F388-M390 HydrophobicContact CZ-CE 4.15Å; F388-E432 HydrophobicContact CD2-CB 4.27Å; F388-E432 HydrophobicContact CE1-CB 4.22Å; F388-E432 HydrophobicContact CE2-CB 3.74Å; F388-E432 HydrophobicContact CZ-CB 3.73Å; F388-E432 PolarHBondContact N-O 2.69Å; F388-E432 PolarHBondContact O-N 3.11Å; F388-E432 VanDerWaalsContact O-O 3.13Å; F388-F434 AromaticContact CD1-CD2 3.76Å; F388-F434 HydrophobicContact CD1-CD2 3.76Å; F388-F434 AromaticContact CD1-CE2 3.66Å; F388-F434 HydrophobicContact CD1-CE2 3.66Å; F388-F434 HydrophobicContact CD1-CG 4.27Å; F388-F434 HydrophobicContact CD1-CZ 4.08Å; F388-F434 AromaticContact CE1-CD1 3.61Å; F388-F434 HydrophobicContact CE1-CD1 3.61Å; F388-F434 AromaticContact CE1-CD2 3.46Å; F388-F434 HydrophobicContact CE1-CD2 3.46Å; F388-F434 VanDerWaalsContact CE1-CD2 3.46Å; F388-F434 AromaticContact CE1-CE1 3.42Å; F388-F434 HydrophobicContact CE1-CE1 3.42Å; F388-F434 VanDerWaalsContact CE1-CE1 3.42Å; F388-F434 AromaticContact CE1-CE2 3.28Å; F388-F434 HydrophobicContact CE1-CE2 3.28Å; F388-F434 AromaticContact CE1-CG 3.62Å; F388-F434 HydrophobicContact CE1-CG 3.62Å; F388-F434 AromaticContact CE1-CZ 3.26Å; F388-F434 HydrophobicContact CE1-CZ 3.26Å; F388-F434 HydrophobicContact CE2-CZ 4.23Å; F388-F434 HydrophobicContact CG-CE2 4.48Å; F388-F434 HydrophobicContact CZ-CD1 4.11Å; F388-F434 HydrophobicContact CZ-CD2 4.39Å; F388-F434 AromaticContact CZ-CE1 3.5Å; F388-F434 HydrophobicContact CZ-CE1 3.5Å; F388-F434 VanDerWaalsContact CZ-CE1 3.5Å; F388-F434 AromaticContact CZ-CE2 3.84Å; F388-F434 HydrophobicContact CZ-CE2 3.84Å; F388-F434 AromaticContact CZ-CZ 3.35Å; F388-F434 HydrophobicContact CZ-CZ 3.35Å
389	R	90.9	Very high	89.3	Confident	36 Å²	36	55 Å²	55	14%	0.136	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143	170.9	-69.2	169.9	176	170.2	-4	109.9	M376 D377 F422 W429 Y431	M376-R389 CarbonylContact C-O 3.48Å; M376-R389 VanDerWaalsContact CA-O 3.28Å; M376-R389 WeakPolarHBondContact CA-O 3.47Å; D377-R389 HydrophobicContact CB-CB 4.38Å; D377-R389 PolarHBondContact N-O 2.71Å; D377-R389 PolarHBondContact O-N 2.99Å; R389-F422 HydrophobicContact CB-CD1 3.89Å; R389-F422 HydrophobicContact CB-CE1 4.16Å; R389-W429 PolarHBondContact NH2-O 2.75Å; R389-Y431 HydrophobicContact CG-CD1 3.52Å; R389-Y431 HydrophobicContact CG-CE1 3.65Å; R389-Y431 HydrophobicContact CG-CG 4.13Å; R389-Y431 PolarHBondContact NH1-OH 3.24Å
390	M	90.7	Very high	88.7	Confident	53 Å²	53	56.7 Å²	56.7	26%	0.261	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	127.7	174.5	-76.2	177	166.8	0	0	109.3	F349 M374 M376 F388	F349-M390 HydrophobicContact CE1-CE 4.3Å; F349-M390 HydrophobicContact CZ-CE 4.39Å; M374-M390 HydrophobicContact CE-CB 3.9Å; M374-M390 HydrophobicContact CE-CE 3.99Å; M374-M390 HydrophobicContact CE-CG 3.52Å; M374-M390 HydrophobicContact CE-SD 3.79Å; M374-M390 HydrophobicContact SD-CB 3.98Å; M374-M390 HydrophobicContact SD-CG 4.26Å; M376-M390 HydrophobicContact CE-CE 3.72Å; M376-M390 HydrophobicContact CE-CG 4.15Å; M376-M390 HydrophobicContact SD-CB 4.31Å; M376-M390 HydrophobicContact SD-CE 3.65Å; M376-M390 HydrophobicContact SD-CG 3.25Å; M376-M390 WeakPolarHBondContact SD-CG 3.42Å; M376-M390 HydrophobicContact SD-SD 4.28Å; F388-M390 HydrophobicContact CD2-CE 4.37Å; F388-M390 HydrophobicContact CD2-CG 4.05Å; F388-M390 HydrophobicContact CE2-CE 3.54Å; F388-M390 HydrophobicContact CE2-CG 3.77Å; F388-M390 HydrophobicContact CE2-SD 3.84Å; F388-M390 HydrophobicContact CZ-CE 4.15Å
391	G	89.6	Confident	88.2	Confident	6 Å²	6	56 Å²	56	6%	0.062	26%	0.255	C	S	.	.			trans	-77.5	177.9	170.3	0	0	0	0	0	111.8	M374 C375 S421	M374-G391 WeakPolarHBondContact CG-O 2.97Å; C375-G391 PolarHBondContact O-N 3.32Å; G391-S421 CarbonylContact C-O 3.58Å; G391-S421 WeakPolarHBondContact CA-O 3.2Å
392	R	89.6	Confident	87.7	Confident	111 Å²	111	57.7 Å²	57.7	42%	0.419	27%	0.267	S	S	.	.			trans	-63.4	144.1	169.9	74.6	-177	-178.1	-174.2	-3.2	111.3	F394 S421 L424	R392-F394 HydrophobicContact CG-CD2 3.88Å; R392-F394 HydrophobicContact CG-CE2 3.29Å; R392-F394 HydrophobicContact CG-CZ 3.85Å; R392-F394 VanDerWaalsContact NH2-CZ 3.29Å; R392-F394 VanDerWaalsContact O-CD2 3.22Å; R392-F394 WeakPolarHBondContact O-CD2 3.32Å; R392-F394 WeakPolarHBondContact O-CE2 2.96Å; R392-S421 PolarHBondContact N-O 2.02Å; R392-L424 HydrophobicContact CB-CD1 3.53Å; R392-L424 HydrophobicContact CB-CD2 3.83Å; R392-L424 HydrophobicContact CB-CG 3.81Å
393	P	91	Very high	87.5	Confident	73 Å²	73	61.1 Å²	61.1	47%	0.474	29%	0.293	S	S	.	.			trans	-70.4	138.2	169.7	29.5	-33.4	0	0	0	110.4	D372 F373	D372-P393 HydrophobicContact CB-CB 4.06Å; F373-P393 CarbonylContact O-C 3.52Å
394	F	90.4	Very high	87.2	Confident	24 Å²	24	59.9 Å²	59.9	11%	0.105	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	105	173.3	-72.1	-104.9	0	0	0	108.3	F373 R392 L396 L412 E415 A416	F373-F394 PolarHBondContact N-O 3.47Å; F373-F394 PolarHBondContact O-N 2.84Å; R392-F394 HydrophobicContact CG-CD2 3.88Å; R392-F394 HydrophobicContact CG-CE2 3.29Å; R392-F394 HydrophobicContact CG-CZ 3.85Å; R392-F394 VanDerWaalsContact NH2-CZ 3.29Å; R392-F394 VanDerWaalsContact O-CD2 3.22Å; R392-F394 WeakPolarHBondContact O-CD2 3.32Å; R392-F394 WeakPolarHBondContact O-CE2 2.96Å; F394-L396 PolarHBondContact O-N 2.89Å; F394-L412 HydrophobicContact CB-CD1 4.01Å; F394-L412 HydrophobicContact CG-CD1 4.41Å; F394-E415 HydrophobicContact CE1-CB 4.22Å; F394-E415 HydrophobicContact CZ-CB 4.5Å; F394-A416 HydrophobicContact CD2-CB 3.57Å; F394-A416 HydrophobicContact CE2-CB 3.55Å; F394-A416 HydrophobicContact CG-CB 4.27Å; F394-A416 HydrophobicContact CZ-CB 4.17Å
395	P	88.4	Confident	86.8	Confident	74 Å²	74	61.6 Å²	61.6	48%	0.481	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	132.8	177.4	27.2	-33.4	0	0	0	109.8	D372 L397	D372-P395 VanDerWaalsContact OD1-CA 3.23Å; D372-P395 WeakPolarHBondContact OD1-CA 3.45Å; D372-P395 WeakPolarHBondContact OD1-CB 3.03Å; P395-L397 PolarHBondContact O-N 3.19Å
396	L	82.8	Confident	86.3	Confident	20 Å²	20	66.6 Å²	66.6	11%	0.105	35%	0.348	C	S	.	.			trans	-90.2	96.2	174.3	-178.1	67.8	0	0	0	109.9	T371 F373 F394 R401 M404 Y408	T371-L396 PolarHBondContact O-N 3.16Å; F373-L396 HydrophobicContact CD2-CB 3.91Å; F373-L396 HydrophobicContact CE2-CB 3.59Å; F373-L396 HydrophobicContact CE2-CD2 3.56Å; F373-L396 HydrophobicContact CE2-CG 4.09Å; F373-L396 HydrophobicContact CZ-CD2 4.04Å; F394-L396 PolarHBondContact O-N 2.89Å; L396-R401 HydrophobicContact CD1-CB 3.96Å; L396-R401 HydrophobicContact CD1-CG 4.49Å; L396-R401 HydrophobicContact CD2-CB 4.47Å; L396-R401 HydrophobicContact CD2-CG 4.43Å; L396-R401 HydrophobicContact CG-CB 4.29Å; L396-M404 HydrophobicContact CD1-CE 3.98Å; L396-Y408 HydrophobicContact CD2-CE2 4.32Å
397	L	79.9	Confident	85.9	Confident	85 Å²	85	69.3 Å²	69.3	45%	0.445	37%	0.366	S	S	.	.			trans	-75.3	142.9	172.4	-58.3	175	0	0	0	110.3	P395 R399 E400 R401	P395-L397 PolarHBondContact O-N 3.19Å; L397-R399 PolarHBondContact O-N 3.09Å; L397-R399 VanDerWaalsContact O-N 3.12Å; L397-E400 HydrophobicContact CB-CB 4.36Å; L397-E400 HydrophobicContact CB-CG 4Å; L397-E400 WeakPolarHBondContact CB-OE2 3.28Å; L397-E400 WeakPolarHBondContact CG-OE2 3.03Å; L397-E400 PolarHBondContact N-OE2 2.8Å; L397-E400 VanDerWaalsContact N-OE2 3.16Å; L397-E400 WeakPolarHBondContact O-CB 3.4Å; L397-E400 PolarHBondContact O-N 2.92Å; L397-R401 PolarHBondContact O-N 3.44Å
398	H	76.8	Confident	85.7	Confident	138 Å²	138	69.5 Å²	69.5	64%	0.639	37%	0.368	S	S	*	.	H	α-helix	trans	-53.9	-37.4	179.1	-171.7	72.8	0	0	0	112.8	H402	H398-H402 AromaticContact CD2-CD2 3.56Å; H398-H402 AromaticContact CD2-NE2 3.48Å; H398-H402 PolarHBondContact CD2-NE2 3.02Å; H398-H402 AromaticContact CE1-CD2 3.9Å; H398-H402 AromaticContact CE1-NE2 3.13Å; H398-H402 PolarHBondContact CE1-NE2 2.77Å; H398-H402 AromaticContact ND1-NE2 3.83Å; H398-H402 AromaticContact NE2-CD2 3.45Å; H398-H402 PolarHBondContact NE2-CD2 2.75Å; H398-H402 AromaticContact NE2-NE2 2.84Å; H398-H402 PolarHBondContact NE2-NE2 3.02Å; H398-H402 PolarHBondContact O-CD2 3.36Å; H398-H402 PolarHBondContact O-N 3.18Å
399	R	78	Confident	85.4	Confident	218 Å²	218	71 Å²	71	82%	0.823	38%	0.375	S	S	*	.	H	α-helix	trans	-65.9	-40	176.9	-168.2	-178.5	-160.8	174.9	6	112.7	L397 H402 S403	L397-R399 PolarHBondContact O-N 3.09Å; L397-R399 VanDerWaalsContact O-N 3.12Å; R399-H402 PolarHBondContact O-N 2.99Å; R399-S403 PolarHBondContact O-N 2.78Å
400	E	78.8	Confident	85.4	Confident	82 Å²	82	72.4 Å²	72.4	38%	0.383	38%	0.383	S	S	.	.	H	α-helix	trans	-71.8	-38.4	-180	-65.5	170.7	157	0	0	110.8	L397 H402 S403 M404	L397-E400 HydrophobicContact CB-CB 4.36Å; L397-E400 HydrophobicContact CB-CG 4Å; L397-E400 WeakPolarHBondContact CB-OE2 3.28Å; L397-E400 WeakPolarHBondContact CG-OE2 3.03Å; L397-E400 PolarHBondContact N-OE2 2.8Å; L397-E400 VanDerWaalsContact N-OE2 3.16Å; L397-E400 WeakPolarHBondContact O-CB 3.4Å; L397-E400 PolarHBondContact O-N 2.92Å; E400-H402 VanDerWaalsContact C-N 3.34Å; E400-H402 PolarHBondContact O-N 3.43Å; E400-S403 PolarHBondContact O-N 3.34Å; E400-S403 PolarHBondContact O-OG 3.26Å; E400-M404 HydrophobicContact CB-CE 4.21Å; E400-M404 VanDerWaalsContact O-CE 3.31Å; E400-M404 WeakPolarHBondContact O-CE 3.37Å; E400-M404 WeakPolarHBondContact O-CG 3.43Å; E400-M404 PolarHBondContact O-N 3.17Å
401	R	81.6	Confident	85.4	Confident	70 Å²	70	75.8 Å²	75.8	26%	0.264	39%	0.393	S	S	.	.	H	α-helix	trans	-56.4	-49.5	171.7	-171.1	-174.6	-174.4	128.4	10	111.4	E301 L396 L397 M404 G405 Y408	E301-R401 IonicContact OE1-CZ 3.3Å; E301-R401 IonicContact OE1-NH1 3.02Å; E301-R401 PolarHBondContact OE1-NH1 2.75Å; E301-R401 IonicContact OE1-NH2 3.14Å; E301-R401 PolarHBondContact OE1-NH2 3.35Å; L396-R401 HydrophobicContact CD1-CB 3.96Å; L396-R401 HydrophobicContact CD1-CG 4.49Å; L396-R401 HydrophobicContact CD2-CB 4.47Å; L396-R401 HydrophobicContact CD2-CG 4.43Å; L396-R401 HydrophobicContact CG-CB 4.29Å; L397-R401 PolarHBondContact O-N 3.44Å; R401-M404 PolarHBondContact O-N 2.85Å; R401-G405 PolarHBondContact O-N 2.89Å; R401-Y408 PolarHBondContact NH2-OH 2.93Å
402	H	82.3	Confident	85.5	Confident	125 Å²	125	76 Å²	76	58%	0.579	39%	0.392	S	S	*	.	H	α-helix	trans	-64.4	-38.9	179	-75.9	-51.6	0	0	0	112.9	H398 R399 E400 M404 G405	H398-H402 AromaticContact CD2-CD2 3.56Å; H398-H402 AromaticContact CD2-NE2 3.48Å; H398-H402 PolarHBondContact CD2-NE2 3.02Å; H398-H402 AromaticContact CE1-CD2 3.9Å; H398-H402 AromaticContact CE1-NE2 3.13Å; H398-H402 PolarHBondContact CE1-NE2 2.77Å; H398-H402 AromaticContact ND1-NE2 3.83Å; H398-H402 AromaticContact NE2-CD2 3.45Å; H398-H402 PolarHBondContact NE2-CD2 2.75Å; H398-H402 AromaticContact NE2-NE2 2.84Å; H398-H402 PolarHBondContact NE2-NE2 3.02Å; H398-H402 PolarHBondContact O-CD2 3.36Å; H398-H402 PolarHBondContact O-N 3.18Å; R399-H402 PolarHBondContact O-N 2.99Å; E400-H402 VanDerWaalsContact C-N 3.34Å; E400-H402 PolarHBondContact O-N 3.43Å; H402-M404 VanDerWaalsContact C-N 3.31Å; H402-M404 PolarHBondContact O-N 2.78Å; H402-G405 PolarHBondContact O-N 3.27Å
403	S	85	Confident	85.6	Confident	91 Å²	91	71 Å²	71	64%	0.636	37%	0.374	S	S	*	.	H	α-helix	trans	-68.3	-30.8	179.7	72.4	0	0	0	0	113	R399 E400	R399-S403 PolarHBondContact O-N 2.78Å; E400-S403 PolarHBondContact O-N 3.34Å; E400-S403 PolarHBondContact O-OG 3.26Å
404	M	84.4	Confident	85.7	Confident	27 Å²	27	75.6 Å²	75.6	13%	0.133	38%	0.382	C	S	.	.	H	α-helix	trans	-81.9	-19.4	178.1	-70.1	-171.8	-82.4	0	0	114.1	L396 E400 R401 H402 S407 R411	L396-M404 HydrophobicContact CD1-CE 3.98Å; E400-M404 HydrophobicContact CB-CE 4.21Å; E400-M404 VanDerWaalsContact O-CE 3.31Å; E400-M404 WeakPolarHBondContact O-CE 3.37Å; E400-M404 WeakPolarHBondContact O-CG 3.43Å; E400-M404 PolarHBondContact O-N 3.17Å; R401-M404 PolarHBondContact O-N 2.85Å; H402-M404 VanDerWaalsContact C-N 3.31Å; H402-M404 PolarHBondContact O-N 2.78Å; M404-S407 PolarHBondContact O-OG 3.02Å; M404-R411 HydrophobicContact SD-CB 4.23Å
405	G	86.9	Confident	85.7	Confident	36 Å²	36	79.4 Å²	79.4	37%	0.371	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	61.2	-151.7	178.7	0	0	0	0	0	113.5	R401 H402 S407 Y408	R401-G405 PolarHBondContact O-N 2.89Å; H402-G405 PolarHBondContact O-N 3.27Å; G405-S407 PolarHBondContact O-N 2.82Å; G405-S407 VanDerWaalsContact O-N 3.14Å; G405-Y408 WeakPolarHBondContact O-CB 3.41Å; G405-Y408 WeakPolarHBondContact O-CD1 3.41Å; G405-Y408 PolarHBondContact O-N 3.43Å
406	A	84	Confident	85.8	Confident	111 Å²	111	75.9 Å²	75.9	92%	0.917	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-63	-21.7	-177.3	0	0	0	0	0	114.2	Y408	A406-Y408 VanDerWaalsContact C-N 3.33Å; A406-Y408 PolarHBondContact O-N 2.81Å
407	S	85.8	Confident	86.3	Confident	56 Å²	56	75.2 Å²	75.2	39%	0.392	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-87.3	5.3	-178.8	71.7	0	0	0	0	114.6	M404 G405 M409 Q410 R411	M404-S407 PolarHBondContact O-OG 3.02Å; G405-S407 PolarHBondContact O-N 2.82Å; G405-S407 VanDerWaalsContact O-N 3.14Å; S407-M409 VanDerWaalsContact C-N 3.3Å; S407-M409 PolarHBondContact O-N 2.79Å; S407-Q410 PolarHBondContact O-N 2.83Å; S407-Q410 VanDerWaalsContact O-N 3.12Å; S407-R411 PolarHBondContact O-N 2.93Å; S407-R411 PolarHBondContact OG-NE 3.35Å
408	Y	89	Confident	86.9	Confident	24 Å²	24	76.2 Å²	76.2	9%	0.094	38%	0.376	C	S	.	.	H	α-helix	trans	-55.4	-41.4	-170.9	80.6	-79.9	0	0	0	113.7	E301 L396 R401 G405 A406 Q410 R411 L412	E301-Y408 PolarHBondContact OE1-OH 3.16Å; E301-Y408 PolarHBondContact OE2-OH 3.26Å; L396-Y408 HydrophobicContact CD2-CE2 4.32Å; R401-Y408 PolarHBondContact NH2-OH 2.93Å; G405-Y408 WeakPolarHBondContact O-CB 3.41Å; G405-Y408 WeakPolarHBondContact O-CD1 3.41Å; G405-Y408 PolarHBondContact O-N 3.43Å; A406-Y408 VanDerWaalsContact C-N 3.33Å; A406-Y408 PolarHBondContact O-N 2.81Å; Y408-Q410 VanDerWaalsContact C-N 3.35Å; Y408-Q410 PolarHBondContact O-N 3.22Å; Y408-R411 PolarHBondContact O-N 2.81Å; Y408-L412 VanDerWaalsContact O-CB 3.31Å; Y408-L412 WeakPolarHBondContact O-CB 3.4Å; Y408-L412 PolarHBondContact O-N 3.04Å
409	M	88.7	Confident	87.3	Confident	31 Å²	31	75 Å²	75	15%	0.153	37%	0.366	C	S	.	.	H	α-helix	trans	-58.7	-43.1	178.8	-70.8	-55.5	-49	0	0	113.1	R352 L360 F373 S407 R411 L412 Y413	R352-M409 HydrophobicContact CB-CE 3.44Å; R352-M409 VanDerWaalsContact CB-CE 3.44Å; R352-M409 HydrophobicContact CG-CE 4.12Å; L360-M409 HydrophobicContact CD2-CE 3.58Å; F373-M409 HydrophobicContact CE1-CE 4.05Å; F373-M409 HydrophobicContact CE1-SD 4.04Å; S407-M409 VanDerWaalsContact C-N 3.3Å; S407-M409 PolarHBondContact O-N 2.79Å; M409-R411 PolarHBondContact O-N 2.77Å; M409-L412 PolarHBondContact O-N 3.24Å; M409-Y413 WeakPolarHBondContact O-CB 3.33Å; M409-Y413 PolarHBondContact O-N 3.2Å
410	Q	89.9	Confident	87.8	Confident	65 Å²	65	68 Å²	68	30%	0.304	35%	0.35	S	S	.	.	H	α-helix	trans	-69	-35.5	-179.5	-177.3	63.9	14.5	0	0	111.9	S407 Y408 R414	S407-Q410 PolarHBondContact O-N 2.83Å; S407-Q410 VanDerWaalsContact O-N 3.12Å; Y408-Q410 VanDerWaalsContact C-N 3.35Å; Y408-Q410 PolarHBondContact O-N 3.22Å; Q410-R414 WeakPolarHBondContact O-CG 3.28Å; Q410-R414 PolarHBondContact O-N 3.03Å
411	R	90.4	Very high	88.2	Confident	125 Å²	125	64.1 Å²	64.1	47%	0.472	33%	0.332	S	S	.	.	H	α-helix	trans	-68.5	-47.7	175.4	-66.2	-176.6	-177.8	-157.3	-1.2	110.6	M404 S407 Y408 M409 Y413 R414 E415	M404-R411 HydrophobicContact SD-CB 4.23Å; S407-R411 PolarHBondContact O-N 2.93Å; S407-R411 PolarHBondContact OG-NE 3.35Å; Y408-R411 PolarHBondContact O-N 2.81Å; M409-R411 PolarHBondContact O-N 2.77Å; R411-Y413 VanDerWaalsContact C-N 3.3Å; R411-Y413 PolarHBondContact O-N 2.04Å; R411-R414 WeakPolarHBondContact O-CB 3.28Å; R411-R414 PolarHBondContact O-N 3.24Å; R411-E415 PolarHBondContact O-N 3.25Å
412	L	91.1	Very high	88.3	Confident	10 Å²	10	62.6 Å²	62.6	5%	0.052	33%	0.328	C	S	.	.	H	α-helix	trans	-62	-38.7	178.5	-167.8	59.5	0	0	0	111.8	F373 F394 Y408 M409 E415 A416	F373-L412 HydrophobicContact CB-CD1 4.4Å; F373-L412 HydrophobicContact CB-CD2 3.61Å; F373-L412 HydrophobicContact CB-CG 4.07Å; F373-L412 HydrophobicContact CD1-CD2 3.49Å; F373-L412 VanDerWaalsContact CD1-CD2 3.49Å; F373-L412 HydrophobicContact CD1-CG 4.5Å; F373-L412 HydrophobicContact CD2-CD2 3.53Å; F373-L412 HydrophobicContact CE1-CD2 3.94Å; F373-L412 HydrophobicContact CE2-CD2 4.02Å; F373-L412 HydrophobicContact CG-CD2 3.24Å; F373-L412 HydrophobicContact CG-CG 4.22Å; F373-L412 HydrophobicContact CZ-CD2 4.19Å; F394-L412 HydrophobicContact CB-CD1 4.01Å; F394-L412 HydrophobicContact CG-CD1 4.41Å; Y408-L412 VanDerWaalsContact O-CB 3.31Å; Y408-L412 WeakPolarHBondContact O-CB 3.4Å; Y408-L412 PolarHBondContact O-N 3.04Å; M409-L412 PolarHBondContact O-N 3.24Å; L412-E415 PolarHBondContact O-N 3.48Å; L412-A416 WeakPolarHBondContact O-CB 3.41Å; L412-A416 PolarHBondContact O-N 2.78Å
413	Y	93	Very high	88	Confident	6 Å²	6	58.3 Å²	58.3	2%	0.024	31%	0.31	C	S	.	.	H	α-helix	trans	-58	-49.3	171.4	-176.3	-85.6	0	0	0	111.5	Q353 Q355 R358 L360 M409 R411 E415 C417	Q353-Y413 HydrophobicContact CB-CD2 4.03Å; Q353-Y413 HydrophobicContact CG-CD2 3.92Å; Q353-Y413 HydrophobicContact CG-CE2 4.4Å; Q353-Y413 HydrophobicContact CG-CG 4.48Å; Q355-Y413 HydrophobicContact CB-CE1 4.36Å; Q355-Y413 WeakPolarHBondContact CB-OH 3.44Å; Q355-Y413 HydrophobicContact CG-CE1 3.75Å; Q355-Y413 HydrophobicContact CG-CE2 4.19Å; Q355-Y413 WeakPolarHBondContact CG-OH 3.14Å; Q355-Y413 PolarHBondContact N-OH 3Å; R358-Y413 PolarHBondContact O-OH 3.22Å; L360-Y413 HydrophobicContact CB-CD2 3.77Å; L360-Y413 HydrophobicContact CB-CE2 4.32Å; L360-Y413 HydrophobicContact CD2-CD2 4.38Å; M409-Y413 WeakPolarHBondContact O-CB 3.33Å; M409-Y413 PolarHBondContact O-N 3.2Å; R411-Y413 VanDerWaalsContact C-N 3.3Å; R411-Y413 PolarHBondContact O-N 2.04Å; Y413-E415 VanDerWaalsContact C-N 3.32Å; Y413-E415 PolarHBondContact O-N 3.25Å; Y413-C417 HydrophobicContact CD1-CB 4.48Å; Y413-C417 HydrophobicContact CE1-CB 4.15Å; Y413-C417 HydrophobicContact CE2-CB 4.22Å; Y413-C417 VanDerWaalsContact CE2-SG 3.6Å; Y413-C417 WeakPolarHBondContact O-CA 3.33Å; Y413-C417 WeakPolarHBondContact O-CB 3.21Å; Y413-C417 PolarHBondContact O-N 3.16Å
414	R	91.9	Very high	87	Confident	170 Å²	170	59 Å²	59	64%	0.642	31%	0.307	S	S	*	.	H	α-helix	trans	-63	-37.5	-179.4	-72.4	174	179.4	-179.6	0.6	112.8	Q410 R411 H418	Q410-R414 WeakPolarHBondContact O-CG 3.28Å; Q410-R414 PolarHBondContact O-N 3.03Å; R411-R414 WeakPolarHBondContact O-CB 3.28Å; R411-R414 PolarHBondContact O-N 3.24Å; R414-H418 WeakPolarHBondContact O-CB 3.24Å
415	E	90.7	Very high	85.7	Confident	104 Å²	104	63.6 Å²	63.6	49%	0.486	33%	0.332	S	S	.	.	H	α-helix	trans	-78.1	-48.3	179.6	-68.9	175.6	-167	0	0	111.8	F394 R411 L412 Y413 S421	F394-E415 HydrophobicContact CE1-CB 4.22Å; F394-E415 HydrophobicContact CZ-CB 4.5Å; R411-E415 PolarHBondContact O-N 3.25Å; L412-E415 PolarHBondContact O-N 3.48Å; Y413-E415 VanDerWaalsContact C-N 3.32Å; Y413-E415 PolarHBondContact O-N 3.25Å; E415-S421 PolarHBondContact O-OG 2.76Å
416	A	91.5	Very high	84.2	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-75.5	-35	-175.1	0	0	0	0	0	113.7	L360 C375 F394 L412 S421	L360-A416 HydrophobicContact CD1-CB 3.82Å; C375-A416 VanDerWaalsContact CB-O 3.26Å; C375-A416 WeakPolarHBondContact CB-O 3.27Å; F394-A416 HydrophobicContact CD2-CB 3.57Å; F394-A416 HydrophobicContact CE2-CB 3.55Å; F394-A416 HydrophobicContact CG-CB 4.27Å; F394-A416 HydrophobicContact CZ-CB 4.17Å; L412-A416 WeakPolarHBondContact O-CB 3.41Å; L412-A416 PolarHBondContact O-N 2.78Å; A416-S421 WeakPolarHBondContact O-CB 3.47Å
417	C	92.8	Very high	82.7	Confident	6 Å²	6	73.2 Å²	73.2	4%	0.041	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	10	177.1	-64.3	0	0	0	0	113.8	C375 Y413	C375-C417 HydrophobicContact CB-CB 3.86Å; C375-C417 WeakPolarHBondContact CB-SG 3.1Å; C375-C417 WeakPolarHBondContact SG-CA 3.48Å; C375-C417 WeakPolarHBondContact SG-CB 3.41Å; C375-C417 CovalentContact SG-SG 2.04Å; C375-C417 PolarHBondContact SG-SG 2.86Å; Y413-C417 HydrophobicContact CD1-CB 4.48Å; Y413-C417 HydrophobicContact CE1-CB 4.15Å; Y413-C417 HydrophobicContact CE2-CB 4.22Å; Y413-C417 VanDerWaalsContact CE2-SG 3.6Å; Y413-C417 WeakPolarHBondContact O-CA 3.33Å; Y413-C417 WeakPolarHBondContact O-CB 3.21Å; Y413-C417 PolarHBondContact O-N 3.16Å
418	H	91.8	Very high	81.6	Confident	106 Å²	106	76 Å²	76	49%	0.491	35%	0.349	S	S	.	.	S	Bend	trans	-66	145.2	168.8	-168	-101.1	0	0	0	110.6	R414 S420 S421	R414-H418 WeakPolarHBondContact O-CB 3.24Å; H418-S420 PolarHBondContact ND1-N 3.38Å; H418-S420 PolarHBondContact ND1-OG 3.47Å; H418-S420 PolarHBondContact O-N 3.3Å; H418-S420 VanDerWaalsContact O-N 3.16Å; H418-S421 VanDerWaalsContact O-CB 3.27Å; H418-S421 WeakPolarHBondContact O-CB 3.41Å; H418-S421 PolarHBondContact O-N 3.07Å
419	W	86.7	Confident	80.5	Confident	111 Å²	111	82 Å²	82	42%	0.42	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-57.7	-34.2	-177	-75.5	125	0	0	0	114.1	S421 F422	W419-S421 PolarHBondContact O-N 3.11Å; W419-F422 HydrophobicContact CE3-CD2 4.12Å; W419-F422 HydrophobicContact CE3-CE2 4.41Å; W419-F422 PolarHBondContact O-N 2.86Å
420	S	86.8	Confident	79.9	Confident	71 Å²	71	82 Å²	82	50%	0.497	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-65.2	-18.7	176.3	65.3	0	0	0	0	113.8	H418 F422 T423	H418-S420 PolarHBondContact ND1-N 3.38Å; H418-S420 PolarHBondContact ND1-OG 3.47Å; H418-S420 PolarHBondContact O-N 3.3Å; H418-S420 VanDerWaalsContact O-N 3.16Å; S420-F422 VanDerWaalsContact C-N 3.25Å; S420-F422 PolarHBondContact O-N 3.47Å; S420-T423 PolarHBondContact O-N 3.29Å; S420-T423 PolarHBondContact O-OG1 2.86Å; S420-T423 VanDerWaalsContact O-OG1 3.04Å
421	S	87.1	Confident	79.8	Confident	2 Å²	2	80.7 Å²	80.7	1%	0.014	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-74.7	-17.8	179.4	-65.1	0	0	0	0	112.4	G391 R392 E415 A416 H418 W419	G391-S421 CarbonylContact C-O 3.58Å; G391-S421 WeakPolarHBondContact CA-O 3.2Å; R392-S421 PolarHBondContact N-O 2.02Å; E415-S421 PolarHBondContact O-OG 2.76Å; A416-S421 WeakPolarHBondContact O-CB 3.47Å; H418-S421 VanDerWaalsContact O-CB 3.27Å; H418-S421 WeakPolarHBondContact O-CB 3.41Å; H418-S421 PolarHBondContact O-N 3.07Å; W419-S421 PolarHBondContact O-N 3.11Å
422	F	85.5	Confident	79.9	Confident	37 Å²	37	76.3 Å²	76.3	16%	0.162	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-88.7	-12.5	175	-61.9	-82.5	0	0	0	113.2	C375 D377 R389 W419 S420	C375-F422 HydrophobicContact CB-CE1 4.43Å; C375-F422 HydrophobicContact CB-CZ 3.83Å; C375-F422 WeakPolarHBondContact O-CE1 3.3Å; D377-F422 HydrophobicContact CB-CE1 4.19Å; D377-F422 HydrophobicContact CB-CZ 4.07Å; R389-F422 HydrophobicContact CB-CD1 3.89Å; R389-F422 HydrophobicContact CB-CE1 4.16Å; W419-F422 HydrophobicContact CE3-CD2 4.12Å; W419-F422 HydrophobicContact CE3-CE2 4.41Å; W419-F422 PolarHBondContact O-N 2.86Å; S420-F422 VanDerWaalsContact C-N 3.25Å; S420-F422 PolarHBondContact O-N 3.47Å
423	T	76.2	Confident	80	Confident	36 Å²	36	76.3 Å²	76.3	22%	0.221	35%	0.35	C	S	.	.			trans	-102.5	35.8	-171.5	64.1	0	0	0	0	113.1	S420 N425 W429	S420-T423 PolarHBondContact O-N 3.29Å; S420-T423 PolarHBondContact O-OG1 2.86Å; S420-T423 VanDerWaalsContact O-OG1 3.04Å; T423-N425 CarbonylContact O-C 3.6Å; T423-N425 PolarHBondContact O-N 3.33Å; T423-W429 HydrophobicContact CG2-CZ2 3.77Å
424	L	63.7	Low	80.1	Confident	106 Å²	106	76 Å²	76	56%	0.555	35%	0.349	S	S	*	.	S	Bend	trans	-52.3	-41.4	-179.8	-81.5	171.5	0	0	0	112.2	R392	R392-L424 HydrophobicContact CB-CD1 3.53Å; R392-L424 HydrophobicContact CB-CD2 3.83Å; R392-L424 HydrophobicContact CB-CG 3.81Å
425	N	57.1	Low	80.3	Confident	123 Å²	123	68 Å²	68	66%	0.658	32%	0.319	S	S	*	.	S	Bend	trans	-97.7	115.2	170.1	-59.8	-28.5	0	0	0	106	T423 I427	T423-N425 CarbonylContact O-C 3.6Å; T423-N425 PolarHBondContact O-N 3.33Å; N425-I427 PolarHBondContact O-N 3.01Å
426	Y	55	Low	80.5	Confident	226 Å²	226	65.3 Å²	65.3	89%	0.886	31%	0.307	S	S	*	.	S	Bend	trans	-57.1	6.6	171.4	-70.6	-89.5	0	0	0	114
427	I	52.7	Low	80.5	Confident	123 Å²	123	68 Å²	68	63%	0.631	32%	0.321	S	S	*	.	S	Bend	trans	-122.3	103.8	-168.8	-52	174.6	0	0	0	107.6	N425	N425-I427 PolarHBondContact O-N 3.01Å
428	E	62.1	Low	80.5	Confident	113 Å²	113	72.2 Å²	72.2	53%	0.528	35%	0.348	S	S	.	.			trans	69.3	111.5	163.5	-63.5	169.6	-176.2	0	0	118	T430	E428-T430 HydrophobicContact CB-CG2 4.35Å; E428-T430 PolarHBondContact O-N 3.42Å
429	W	67	Low	80.6	Confident	151 Å²	151	67.9 Å²	67.9	57%	0.572	33%	0.33	S	S	*	.			trans	-76.3	53.1	-178.8	-77.6	37	0	0	0	113.5	R389 T423	R389-W429 PolarHBondContact NH2-O 2.75Å; T423-W429 HydrophobicContact CG2-CZ2 3.77Å
430	T	75.2	Confident	80.9	Confident	31 Å²	31	66.3 Å²	66.3	19%	0.19	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-83.1	139.2	-178.1	61	0	0	0	0	112.7	E428 E533 K577	E428-T430 HydrophobicContact CB-CG2 4.35Å; E428-T430 PolarHBondContact O-N 3.42Å; T430-E533 WeakPolarHBondContact CA-OE1 3.42Å; T430-K577 WeakPolarHBondContact OG1-CE 3.09Å; T430-K577 PolarHBondContact OG1-NZ 2.75Å; T430-K577 VanDerWaalsContact OG1-NZ 3.17Å
431	Y	88.2	Confident	81.2	Confident	38 Å²	38	66 Å²	66	15%	0.149	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-74.4	144.1	170.4	-74	-91	0	0	0	111.5	M379 R387 R389 E533	M379-Y431 HydrophobicContact CE-CE2 4.36Å; M379-Y431 HydrophobicContact CG-CD1 3.93Å; M379-Y431 HydrophobicContact CG-CE1 3.46Å; M379-Y431 VanDerWaalsContact CG-CE1 3.46Å; M379-Y431 HydrophobicContact CG-CE2 4.43Å; M379-Y431 HydrophobicContact SD-CD1 4.07Å; M379-Y431 HydrophobicContact SD-CD2 4.02Å; M379-Y431 HydrophobicContact SD-CE1 3.81Å; M379-Y431 HydrophobicContact SD-CE2 3.7Å; M379-Y431 HydrophobicContact SD-CG 4.2Å; R387-Y431 HydrophobicContact CB-CD1 4.34Å; R387-Y431 HydrophobicContact CB-CG 4.41Å; R389-Y431 HydrophobicContact CG-CD1 3.52Å; R389-Y431 HydrophobicContact CG-CE1 3.65Å; R389-Y431 HydrophobicContact CG-CG 4.13Å; R389-Y431 PolarHBondContact NH1-OH 3.24Å; Y431-E533 WeakPolarHBondContact CD2-OE1 3.39Å; Y431-E533 PolarHBondContact N-OE1 2.77Å
432	E	91.5	Very high	81.5	Confident	33 Å²	33	66.9 Å²	66.9	15%	0.154	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	160.2	162.2	-64.6	-62.1	160.2	0	0	108.9	Y318 S320 R387 F388 R574	Y318-E432 HydrophobicContact CE2-CB 4.18Å; S320-E432 VanDerWaalsContact CB-OE2 3.26Å; S320-E432 WeakPolarHBondContact CB-OE2 3.43Å; S320-E432 PolarHBondContact OG-OE2 2.79Å; R387-E432 CarbonylContact C-O 3.54Å; R387-E432 VanDerWaalsContact CA-O 3.32Å; R387-E432 WeakPolarHBondContact CA-O 3.3Å; F388-E432 HydrophobicContact CD2-CB 4.27Å; F388-E432 HydrophobicContact CE1-CB 4.22Å; F388-E432 HydrophobicContact CE2-CB 3.74Å; F388-E432 HydrophobicContact CZ-CB 3.73Å; F388-E432 PolarHBondContact N-O 2.69Å; F388-E432 PolarHBondContact O-N 3.11Å; F388-E432 VanDerWaalsContact O-O 3.13Å; E432-R574 IonicContact OE1-CZ 3.66Å; E432-R574 IonicContact OE1-NH1 2.8Å; E432-R574 PolarHBondContact OE1-NH1 2.91Å; E432-R574 IonicContact OE1-NH2 3.69Å; E432-R574 PolarHBondContact OE1-NH2 2.8Å; E432-R574 IonicContact OE2-CZ 2.71Å; E432-R574 IonicContact OE2-NH1 3.7Å; E432-R574 IonicContact OE2-NH2 2.62Å; E432-R574 PolarHBondContact OE2-NH2 2.97Å
433	Y	93.9	Very high	81.8	Confident	10 Å²	10	69 Å²	69	4%	0.039	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	142.6	-177.2	62	-86.9	0	0	0	113.7	P319 I385 I386 V435 W531 V540 R574	P319-Y433 HydrophobicContact CB-CE2 4.31Å; P319-Y433 WeakPolarHBondContact CD-O 3.28Å; P319-Y433 HydrophobicContact CG-CD2 4.18Å; P319-Y433 HydrophobicContact CG-CE2 3.65Å; I385-Y433 HydrophobicContact CG2-CD2 4.31Å; I385-Y433 HydrophobicContact CG2-CG 4.4Å; I386-Y433 CarbonylContact O-C 3.48Å; I386-Y433 WeakPolarHBondContact O-CA 3.44Å; Y433-V435 HydrophobicContact CD2-CG2 3.65Å; Y433-V435 HydrophobicContact CE2-CG2 3.69Å; Y433-W531 AromaticContact CD1-CH2 3.96Å; Y433-W531 HydrophobicContact CD1-CH2 3.96Å; Y433-W531 AromaticContact CD1-CZ2 3.82Å; Y433-W531 HydrophobicContact CD1-CZ2 3.82Å; Y433-W531 HydrophobicContact CD2-CH2 4.09Å; Y433-W531 AromaticContact CE1-CH2 3.91Å; Y433-W531 HydrophobicContact CE1-CH2 3.91Å; Y433-W531 AromaticContact CE1-CZ2 3.93Å; Y433-W531 HydrophobicContact CE1-CZ2 3.93Å; Y433-W531 HydrophobicContact CE2-CH2 4.01Å; Y433-W531 HydrophobicContact CG-CH2 4.07Å; Y433-W531 HydrophobicContact CG-CZ2 4.26Å; Y433-W531 AromaticContact CZ-CH2 3.95Å; Y433-V540 HydrophobicContact CE2-CG2 4.04Å; Y433-R574 HydrophobicContact CE1-CG 4.44Å
434	F	95.3	Very high	82.7	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	142	166.3	-60.9	-46.7	0	0	0	109.7	W316 Y318 V326 I328 I385 I386 F388	W316-F434 HydrophobicContact CB-CB 4.11Å; W316-F434 HydrophobicContact CD2-CB 4.32Å; W316-F434 HydrophobicContact CE3-CB 3.91Å; W316-F434 HydrophobicContact CG-CB 4.39Å; Y318-F434 HydrophobicContact CD1-CE1 4.33Å; Y318-F434 AromaticContact CD2-CD1 3.8Å; Y318-F434 HydrophobicContact CD2-CD1 3.8Å; Y318-F434 AromaticContact CD2-CE1 3.74Å; Y318-F434 HydrophobicContact CD2-CE1 3.74Å; Y318-F434 HydrophobicContact CE2-CE1 4.37Å; Y318-F434 HydrophobicContact CG-CD1 4.01Å; Y318-F434 AromaticContact CG-CE1 3.73Å; Y318-F434 HydrophobicContact CG-CE1 3.73Å; V326-F434 HydrophobicContact CB-CE1 4.49Å; V326-F434 HydrophobicContact CG1-CD1 4.44Å; V326-F434 HydrophobicContact CG1-CE1 4.17Å; V326-F434 HydrophobicContact CG1-CE2 4.43Å; V326-F434 HydrophobicContact CG1-CZ 4.16Å; V326-F434 HydrophobicContact CG2-CD1 4.19Å; V326-F434 HydrophobicContact CG2-CE1 3.92Å; I328-F434 HydrophobicContact CD1-CD2 4.02Å; I328-F434 HydrophobicContact CD1-CE2 4.29Å; I385-F434 WeakPolarHBondContact CA-O 3.47Å; I386-F434 HydrophobicContact CB-CB 4.33Å; I386-F434 HydrophobicContact CB-CD2 4.43Å; I386-F434 HydrophobicContact CG2-CD2 4.45Å; I386-F434 PolarHBondContact N-O 2.87Å; I386-F434 PolarHBondContact O-N 3.06Å; F388-F434 AromaticContact CD1-CD2 3.76Å; F388-F434 HydrophobicContact CD1-CD2 3.76Å; F388-F434 AromaticContact CD1-CE2 3.66Å; F388-F434 HydrophobicContact CD1-CE2 3.66Å; F388-F434 HydrophobicContact CD1-CG 4.27Å; F388-F434 HydrophobicContact CD1-CZ 4.08Å; F388-F434 AromaticContact CE1-CD1 3.61Å; F388-F434 HydrophobicContact CE1-CD1 3.61Å; F388-F434 AromaticContact CE1-CD2 3.46Å; F388-F434 HydrophobicContact CE1-CD2 3.46Å; F388-F434 VanDerWaalsContact CE1-CD2 3.46Å; F388-F434 AromaticContact CE1-CE1 3.42Å; F388-F434 HydrophobicContact CE1-CE1 3.42Å; F388-F434 VanDerWaalsContact CE1-CE1 3.42Å; F388-F434 AromaticContact CE1-CE2 3.28Å; F388-F434 HydrophobicContact CE1-CE2 3.28Å; F388-F434 AromaticContact CE1-CG 3.62Å; F388-F434 HydrophobicContact CE1-CG 3.62Å; F388-F434 AromaticContact CE1-CZ 3.26Å; F388-F434 HydrophobicContact CE1-CZ 3.26Å; F388-F434 HydrophobicContact CE2-CZ 4.23Å; F388-F434 HydrophobicContact CG-CE2 4.48Å; F388-F434 HydrophobicContact CZ-CD1 4.11Å; F388-F434 HydrophobicContact CZ-CD2 4.39Å; F388-F434 AromaticContact CZ-CE1 3.5Å; F388-F434 HydrophobicContact CZ-CE1 3.5Å; F388-F434 VanDerWaalsContact CZ-CE1 3.5Å; F388-F434 AromaticContact CZ-CE2 3.84Å; F388-F434 HydrophobicContact CZ-CE2 3.84Å; F388-F434 AromaticContact CZ-CZ 3.35Å; F388-F434 HydrophobicContact CZ-CZ 3.35Å
435	V	95	Very high	84.1	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	132.3	176.8	-173.6	0	0	0	0	108.9	W316 F317 P319 N384 Y433 V528 V540 F552	W316-V435 CarbonylContact C-O 3.57Å; W316-V435 VanDerWaalsContact CA-O 3.31Å; W316-V435 WeakPolarHBondContact CA-O 3.43Å; W316-V435 VanDerWaalsContact CE3-C 3.42Å; F317-V435 PolarHBondContact N-O 3.19Å; F317-V435 PolarHBondContact O-N 3.22Å; P319-V435 HydrophobicContact CG-CG2 3.79Å; N384-V435 WeakPolarHBondContact O-CA 3.46Å; Y433-V435 HydrophobicContact CD2-CG2 3.65Å; Y433-V435 HydrophobicContact CE2-CG2 3.69Å; V435-V528 HydrophobicContact CG1-CG1 3.66Å; V435-V540 HydrophobicContact CG1-CG1 4.16Å; V435-V540 HydrophobicContact CG2-CG1 4.27Å; V435-F552 HydrophobicContact CB-CE1 4.37Å; V435-F552 HydrophobicContact CG1-CD1 3.74Å; V435-F552 HydrophobicContact CG1-CE1 3.36Å; V435-F552 HydrophobicContact CG1-CZ 3.92Å
436	Q	94.9	Very high	85.8	Confident	49 Å²	49	56.8 Å²	56.8	23%	0.229	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	135.8	-178.4	-163.1	172	-8.1	0	0	111	W316 N384 P438 P439 F552	W316-Q436 HydrophobicContact CD2-CB 4.45Å; W316-Q436 VanDerWaalsContact CE3-CA 3.47Å; W316-Q436 HydrophobicContact CE3-CB 3.9Å; W316-Q436 HydrophobicContact CH2-CB 3.97Å; W316-Q436 HydrophobicContact CH2-CG 4.22Å; W316-Q436 HydrophobicContact CZ2-CG 4.4Å; W316-Q436 HydrophobicContact CZ3-CB 3.64Å; W316-Q436 HydrophobicContact CZ3-CG 4.32Å; N384-Q436 HydrophobicContact CB-CB 3.75Å; N384-Q436 PolarHBondContact O-N 3.36Å; N384-Q436 PolarHBondContact OD1-OE1 3.23Å; Q436-P438 CarbonylContact O-C 3.54Å; Q436-P439 WeakPolarHBondContact O-CA 3.35Å; Q436-P439 WeakPolarHBondContact O-CB 3.37Å; Q436-F552 WeakPolarHBondContact O-CZ 3.47Å
437	D	92.1	Very high	87.5	Confident	55 Å²	55	47.2 Å²	47.2	29%	0.294	24%	0.244	S	C	.	.	S	Bend	trans	-130.2	114.7	-179.4	-173	14.8	0	0	0	111	H315 F317 F552	H315-D437 WeakPolarHBondContact CB-O 3.33Å; H315-D437 PolarHBondContact O-N 3.26Å; H315-D437 VanDerWaalsContact O-N 3.08Å; F317-D437 HydrophobicContact CB-CB 4.22Å; D437-F552 HydrophobicContact CB-CE2 4.31Å; D437-F552 HydrophobicContact CB-CZ 4.33Å
438	P	92.6	Very high	89.4	Confident	95 Å²	95	41.4 Å²	41.4	62%	0.617	21%	0.214	S	C	*	.	S	Bend	cis	-71.7	149.2	-4.2	30.3	-35.2	0	0	0	112.3	Q436	Q436-P438 CarbonylContact O-C 3.54Å
439	P	93.3	Very high	90.9	Very high	16 Å²	16	36.6 Å²	36.6	10%	0.104	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-78.4	150	-177.9	30.4	-33.7	0	0	0	112.4	Q436 V528 Y542 F552	Q436-P439 WeakPolarHBondContact O-CA 3.35Å; Q436-P439 WeakPolarHBondContact O-CB 3.37Å; P439-V528 HydrophobicContact CB-CB 4.27Å; P439-V528 HydrophobicContact CB-CG1 3.6Å; P439-V528 HydrophobicContact CB-CG2 3.79Å; P439-V528 HydrophobicContact CG-CG2 3.93Å; P439-Y542 HydrophobicContact CG-CD1 3.86Å; P439-Y542 HydrophobicContact CG-CD2 3.73Å; P439-Y542 HydrophobicContact CG-CE1 4.38Å; P439-Y542 HydrophobicContact CG-CE2 4.24Å; P439-Y542 HydrophobicContact CG-CG 3.5Å; P439-F552 HydrophobicContact CB-CE1 4.22Å; P439-F552 HydrophobicContact CG-CE1 3.88Å; P439-F552 HydrophobicContact CG-CZ 4.14Å
440	T	94	Very high	92.2	Very high	77 Å²	77	29.6 Å²	29.6	47%	0.472	17%	0.165	S	C	.	.	P	Polyproline II helix	trans	-87.2	122.2	170.7	67.3	0	0	0	0	111	N384 I442	N384-T440 PolarHBondContact ND2-O 2.8Å; N384-T440 PolarHBondContact ND2-OG1 3.03Å; N384-T440 WeakPolarHBondContact OD1-CB 3.46Å; N384-T440 PolarHBondContact OD1-N 2.78Å; N384-T440 PolarHBondContact OD1-OG1 3.36Å; T440-I442 PolarHBondContact O-N 3.14Å
441	P	93.8	Very high	93.2	Very high	65 Å²	65	30.3 Å²	30.3	42%	0.422	17%	0.165	S	C	.	.	P	Polyproline II helix	trans	-60.6	127.7	-176.5	-25.5	34.4	0	0	0	112.9	K496 T526	P441-K496 HydrophobicContact CB-CB 4.08Å; P441-K496 HydrophobicContact CB-CD 3.92Å; P441-K496 WeakPolarHBondContact O-CD 3.28Å; P441-K496 PolarHBondContact O-NZ 2.85Å; P441-T526 HydrophobicContact CB-CG2 3.64Å; P441-T526 HydrophobicContact CG-CG2 3.81Å
442	I	93	Very high	93.5	Very high	21 Å²	21	28.9 Å²	28.9	11%	0.108	16%	0.16	C	C	.	.			trans	-112.7	164	174.9	65.5	159.6	0	0	0	110.9	H383 T440 C444 K496 C527 V528 G529 Y530	H383-I442 HydrophobicContact CB-CD1 4.18Å; H383-I442 HydrophobicContact CB-CG2 4.19Å; H383-I442 VanDerWaalsContact ND1-CD1 3.29Å; H383-I442 WeakPolarHBondContact ND1-CD1 3.23Å; T440-I442 PolarHBondContact O-N 3.14Å; I442-C444 PolarHBondContact O-N 2.9Å; I442-K496 WeakPolarHBondContact O-CA 3.36Å; I442-K496 VanDerWaalsContact O-CB 3.28Å; I442-K496 WeakPolarHBondContact O-CB 3.49Å; I442-C527 HydrophobicContact CG1-CB 4.24Å; I442-C527 VanDerWaalsContact CG1-O 3.3Å; I442-C527 WeakPolarHBondContact CG1-O 2.99Å; I442-C527 PolarHBondContact N-O 3.39Å; I442-C527 VanDerWaalsContact N-O 3.08Å; I442-V528 WeakPolarHBondContact CD1-O 3.32Å; I442-G529 VanDerWaalsContact CD1-CA 3.47Å; I442-Y530 HydrophobicContact CD1-CD1 3.81Å; I442-Y530 HydrophobicContact CD1-CE1 3.79Å
443	N	92.4	Very high	93.7	Very high	80 Å²	80	32 Å²	32	43%	0.428	18%	0.176	S	C	.	.			trans	-64.2	134.3	174	-67.3	-3	0	0	0	110.3	P495 K496	N443-P495 WeakPolarHBondContact CA-O 3.44Å; N443-K496 WeakPolarHBondContact OD1-CG 3.21Å
444	C	93.4	Very high	93.8	Very high	4 Å²	4	33.1 Å²	33.1	3%	0.027	18%	0.182	C	C	.	.			trans	-66.4	142	176.9	-65	0	0	0	0	110.7	I442 I446 Q447 A490 P495 L498 C527	I442-C444 PolarHBondContact O-N 2.9Å; C444-I446 PolarHBondContact O-N 2.8Å; C444-Q447 WeakPolarHBondContact O-CG 3.4Å; C444-Q447 PolarHBondContact O-NE2 3.49Å; C444-Q447 VanDerWaalsContact O-NE2 3.08Å; C444-A490 HydrophobicContact CB-CB 4.43Å; C444-P495 PolarHBondContact N-O 2.62Å; C444-L498 HydrophobicContact CB-CG 4.44Å; C444-C527 WeakPolarHBondContact CA-SG 3.45Å; C444-C527 HydrophobicContact CB-CB 3.99Å; C444-C527 WeakPolarHBondContact CB-SG 3.45Å; C444-C527 WeakPolarHBondContact SG-CB 3.24Å; C444-C527 CovalentContact SG-SG 2.03Å; C444-C527 PolarHBondContact SG-SG 3.16Å
445	P	92.9	Very high	93.7	Very high	4 Å²	4	39.2 Å²	39.2	3%	0.026	21%	0.205	C	C	.	.	S	Bend	trans	-71.4	-20.5	177.1	29.6	-34.9	0	0	0	112.2	Y530 L539 Y557 W610 D611	P445-Y530 HydrophobicContact CB-CD1 3.93Å; P445-Y530 HydrophobicContact CB-CD2 4.22Å; P445-Y530 HydrophobicContact CB-CE1 4.11Å; P445-Y530 HydrophobicContact CB-CE2 4.42Å; P445-Y530 HydrophobicContact CB-CG 3.99Å; P445-Y530 HydrophobicContact CG-CD1 3.89Å; P445-Y530 HydrophobicContact CG-CE1 4.47Å; P445-Y530 HydrophobicContact CG-CG 4.03Å; P445-L539 HydrophobicContact CG-CD1 3.92Å; P445-L539 HydrophobicContact CG-CD2 4.13Å; P445-L539 HydrophobicContact CG-CG 4.43Å; P445-Y557 HydrophobicContact CB-CE2 3.94Å; P445-Y557 WeakPolarHBondContact CB-OH 3.48Å; P445-Y557 HydrophobicContact CG-CE1 4.14Å; P445-Y557 HydrophobicContact CG-CE2 4Å; P445-W610 CarbonylContact O-C 3.43Å; P445-W610 VanDerWaalsContact O-CA 3.22Å; P445-W610 WeakPolarHBondContact O-CA 3.34Å; P445-D611 HydrophobicContact CB-CB 4.21Å; P445-D611 PolarHBondContact O-N 2.9Å
446	I	93	Very high	93.6	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	111.1	172.1	-60.4	163	0	0	0	106.8	C444 F450 Y557 M567 W610	C444-I446 PolarHBondContact O-N 2.8Å; I446-F450 HydrophobicContact CG2-CD2 4.5Å; I446-F450 HydrophobicContact CG2-CE2 3.67Å; I446-F450 HydrophobicContact CG2-CZ 3.96Å; I446-Y557 HydrophobicContact CD1-CD2 3.67Å; I446-Y557 HydrophobicContact CD1-CG 4.02Å; I446-Y557 HydrophobicContact CG1-CD2 3.94Å; I446-Y557 HydrophobicContact CG1-CE2 4.38Å; I446-M567 HydrophobicContact CD1-CE 3.98Å; I446-M567 HydrophobicContact CD1-CG 3.69Å; I446-M567 HydrophobicContact CD1-SD 3.32Å; I446-M567 WeakPolarHBondContact CD1-SD 3.41Å; I446-W610 HydrophobicContact CD1-CZ3 3.99Å; I446-W610 HydrophobicContact CG1-CE3 3.77Å; I446-W610 HydrophobicContact CG1-CZ3 3.6Å
447	Q	92.2	Very high	93.4	Very high	26 Å²	26	41.3 Å²	41.3	12%	0.121	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	153.6	172.7	-55.4	175.3	9.2	0	0	109.1	C444 A490 M608 S609	C444-Q447 WeakPolarHBondContact O-CG 3.4Å; C444-Q447 PolarHBondContact O-NE2 3.49Å; C444-Q447 VanDerWaalsContact O-NE2 3.08Å; Q447-A490 WeakPolarHBondContact CA-O 3.03Å; Q447-A490 WeakPolarHBondContact CB-O 3.16Å; Q447-M608 VanDerWaalsContact O-CA 3.31Å; Q447-M608 WeakPolarHBondContact O-CA 3.35Å; Q447-S609 PolarHBondContact N-O 2.86Å; Q447-S609 PolarHBondContact O-N 3.24Å
448	G	92.5	Very high	93.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	123.2	-177.5	-171.5	0	0	0	0	0	111.4	F450 E489 A490	G448-F450 VanDerWaalsContact C-CE2 3.43Å; G448-E489 WeakPolarHBondContact O-CA 3.39Å; G448-A490 PolarHBondContact N-O 2.76Å; G448-A490 PolarHBondContact O-N 3.43Å
449	K	93.2	Very high	93.1	Very high	12 Å²	12	48.6 Å²	48.6	5%	0.052	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	129.9	-179.8	-173.8	171.6	177.2	-179	0	110	E489 D599 D604 C606	K449-E489 HydrophobicContact CB-CB 4.37Å; K449-E489 HydrophobicContact CG-CB 4.22Å; K449-D599 WeakPolarHBondContact CD-O 3.22Å; K449-D599 PolarHBondContact O-N 2.98Å; K449-D604 WeakPolarHBondContact CD-OD2 3.41Å; K449-D604 IonicContact NZ-OD1 3.02Å; K449-D604 IonicContact NZ-OD2 3.5Å; K449-D604 PolarHBondContact NZ-OD2 3.39Å; K449-C606 HydrophobicContact CB-CB 4.42Å
450	F	94.9	Very high	92.9	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.018	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	141.5	-172.4	-48.2	-86.2	0	0	0	112.3	I446 G448 N487 I488 Y565 L596 T597 E598 M608	I446-F450 HydrophobicContact CG2-CD2 4.5Å; I446-F450 HydrophobicContact CG2-CE2 3.67Å; I446-F450 HydrophobicContact CG2-CZ 3.96Å; G448-F450 VanDerWaalsContact C-CE2 3.43Å; F450-N487 CarbonylContact O-C 3.57Å; F450-N487 WeakPolarHBondContact O-CA 3.28Å; F450-I488 HydrophobicContact CB-CG2 3.78Å; F450-I488 HydrophobicContact CD2-CG2 4.36Å; F450-I488 PolarHBondContact N-O 3.45Å; F450-I488 PolarHBondContact O-N 3.21Å; F450-Y565 HydrophobicContact CD1-CD2 4.14Å; F450-Y565 HydrophobicContact CD1-CE2 4.33Å; F450-Y565 AromaticContact CE1-CD2 3.65Å; F450-Y565 HydrophobicContact CE1-CD2 3.65Å; F450-Y565 AromaticContact CE1-CE2 3.47Å; F450-Y565 HydrophobicContact CE1-CE2 3.47Å; F450-Y565 VanDerWaalsContact CE1-CE2 3.47Å; F450-Y565 HydrophobicContact CZ-CD2 4.28Å; F450-Y565 HydrophobicContact CZ-CE2 4.06Å; F450-L596 HydrophobicContact CB-CB 4Å; F450-L596 HydrophobicContact CD1-CB 4.34Å; F450-L596 HydrophobicContact CG-CB 4.2Å; F450-T597 CarbonylContact C-O 3.57Å; F450-T597 VanDerWaalsContact CA-O 3.23Å; F450-T597 WeakPolarHBondContact CA-O 3.28Å; F450-E598 HydrophobicContact CD1-CB 4.49Å; F450-M608 HydrophobicContact CE1-CE 3.76Å; F450-M608 HydrophobicContact CZ-CE 4.31Å
451	K	94.6	Very high	92.8	Very high	47 Å²	47	49.9 Å²	49.9	20%	0.204	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	145	157.4	-82.8	165.7	169.3	144	0	109.8	E485 S486 L596 T597 D599	K451-E485 WeakPolarHBondContact CE-OE2 3.33Å; K451-E485 IonicContact NZ-OE1 2.77Å; K451-E485 PolarHBondContact NZ-OE1 3.28Å; K451-E485 VanDerWaalsContact NZ-OE1 3.14Å; K451-E485 IonicContact NZ-OE2 2.85Å; K451-E485 PolarHBondContact NZ-OE2 2.94Å; K451-S486 WeakPolarHBondContact CA-O 3.37Å; K451-S486 WeakPolarHBondContact CG-O 3.16Å; K451-L596 CarbonylContact O-C 3.57Å; K451-L596 WeakPolarHBondContact O-CA 3.03Å; K451-T597 WeakPolarHBondContact CB-OG1 3.31Å; K451-T597 PolarHBondContact N-O 3.01Å; K451-T597 PolarHBondContact O-N 3.18Å; K451-T597 PolarHBondContact O-OG1 3.33Å; K451-D599 HydrophobicContact CB-CB 4.35Å; K451-D599 HydrophobicContact CD-CB 3.99Å; K451-D599 VanDerWaalsContact CD-CG 3.44Å; K451-D599 WeakPolarHBondContact CD-OD1 3.37Å; K451-D599 WeakPolarHBondContact CD-OD2 3.41Å; K451-D599 VanDerWaalsContact CE-CG 3.41Å; K451-D599 WeakPolarHBondContact CE-OD1 3.42Å; K451-D599 WeakPolarHBondContact CE-OD2 3.36Å; K451-D599 HydrophobicContact CG-CB 3.83Å; K451-D599 WeakPolarHBondContact CG-OD2 3.03Å; K451-D599 IonicContact NZ-OD1 2.92Å; K451-D599 PolarHBondContact NZ-OD1 3.35Å; K451-D599 IonicContact NZ-OD2 3.46Å; K451-D599 PolarHBondContact NZ-OD2 2.89Å
452	F	95.4	Very high	92.7	Very high	8 Å²	8	47.9 Å²	47.9	4%	0.035	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	143.6	-179.5	70.7	-93.2	0	0	0	115.5	Q454 S486 N487 I488 L500 D501 V502 L594 E595 L596	F452-Q454 HydrophobicContact CD2-CG 3.73Å; F452-Q454 HydrophobicContact CE2-CG 3.58Å; F452-S486 PolarHBondContact N-OG 2.75Å; F452-S486 WeakPolarHBondContact O-CB 3.01Å; F452-S486 PolarHBondContact O-OG 2.86Å; F452-N487 WeakPolarHBondContact CE1-O 3.43Å; F452-I488 HydrophobicContact CB-CG2 4.29Å; F452-I488 HydrophobicContact CD1-CB 3.84Å; F452-I488 HydrophobicContact CD1-CG2 3.78Å; F452-I488 HydrophobicContact CE1-CB 4.15Å; F452-I488 HydrophobicContact CG-CG2 4.4Å; F452-L500 HydrophobicContact CD1-CD1 4.47Å; F452-L500 HydrophobicContact CE1-CD1 3.86Å; F452-L500 HydrophobicContact CE1-CG 3.81Å; F452-L500 HydrophobicContact CE2-CD1 4Å; F452-L500 HydrophobicContact CE2-CG 4.41Å; F452-L500 HydrophobicContact CZ-CD1 3.6Å; F452-L500 HydrophobicContact CZ-CD2 3.98Å; F452-L500 HydrophobicContact CZ-CG 3.58Å; F452-D501 VanDerWaalsContact CE1-O 3.24Å; F452-D501 WeakPolarHBondContact CE1-O 3.43Å; F452-D501 WeakPolarHBondContact CZ-O 3.45Å; F452-V502 HydrophobicContact CZ-CG2 4.19Å; F452-L594 HydrophobicContact CD2-CD2 3.94Å; F452-L594 HydrophobicContact CE2-CD2 4.37Å; F452-E595 CarbonylContact C-O 3.55Å; F452-E595 WeakPolarHBondContact CA-O 3.49Å; F452-L596 HydrophobicContact CB-CD2 3.37Å; F452-L596 HydrophobicContact CG-CD2 4.41Å
453	I	95.5	Very high	92.4	Very high	98 Å²	98	52.3 Å²	52.3	50%	0.503	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	129.6	172.4	-59.1	172.8	0	0	0	108.8	R455 E595	I453-R455 HydrophobicContact CG2-CG 4.45Å; I453-E595 HydrophobicContact CB-CB 4.39Å; I453-E595 PolarHBondContact N-O 3.22Å; I453-E595 PolarHBondContact O-N 2.97Å
454	Q	95.1	Very high	92	Very high	34 Å²	34	51.6 Å²	51.6	16%	0.159	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	123.6	178.9	-55.8	-167.8	64	0	0	111.3	F452 K461 Y462 L592 L593 L594	F452-Q454 HydrophobicContact CD2-CG 3.73Å; F452-Q454 HydrophobicContact CE2-CG 3.58Å; Q454-K461 HydrophobicContact CB-CD 4.45Å; Q454-K461 HydrophobicContact CB-CG 4.24Å; Q454-Y462 PolarHBondContact NE2-O 3.23Å; Q454-L592 HydrophobicContact CB-CD1 4.15Å; Q454-L593 WeakPolarHBondContact CA-O 3.23Å; Q454-L594 HydrophobicContact CB-CD2 4.38Å; Q454-L594 HydrophobicContact CG-CD2 3.73Å
455	R	94.8	Very high	91.2	Very high	127 Å²	127	54.6 Å²	54.6	48%	0.479	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	143.7	172.4	-54.4	-173	-169.1	-170	6.5	110.2	I453 L592 L593 E595	I453-R455 HydrophobicContact CG2-CG 4.45Å; R455-L592 CarbonylContact O-C 3.46Å; R455-L593 HydrophobicContact CB-CB 4.3Å; R455-L593 HydrophobicContact CB-CD2 4.47Å; R455-L593 PolarHBondContact N-O 3.17Å; R455-L593 PolarHBondContact O-N 3.42Å; R455-E595 IonicContact CZ-OE2 2.82Å; R455-E595 IonicContact NE-OE2 2.98Å; R455-E595 IonicContact NH2-OE2 3.03Å; R455-E595 PolarHBondContact NH2-OE2 3.46Å
456	G	92.2	Very high	90.2	Very high	20 Å²	20	57.9 Å²	57.9	21%	0.206	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	132.4	-163.1	-178.2	0	0	0	0	0	112.8	K461 S584	G456-K461 WeakPolarHBondContact O-CE 3.47Å; G456-S584 VanDerWaalsContact CA-O 3.3Å; G456-S584 WeakPolarHBondContact CA-O 3.19Å
457	Q	91	Very high	88.8	Confident	74 Å²	74	61.1 Å²	61.1	35%	0.346	30%	0.298	S	S	.	.			trans	-64.2	135.9	-178.4	-62.6	-69	-54.9	0	0	111	Q459 E460 K461 P586 S591	Q457-Q459 VanDerWaalsContact C-N 3.27Å; Q457-Q459 PolarHBondContact O-N 2.83Å; Q457-E460 HydrophobicContact CB-CB 4.27Å; Q457-E460 HydrophobicContact CB-CG 4.21Å; Q457-E460 PolarHBondContact O-N 2.62Å; Q457-E460 VanDerWaalsContact O-N 3.1Å; Q457-K461 PolarHBondContact O-N 3.25Å; Q457-P586 HydrophobicContact CG-CG 3.64Å; Q457-S591 PolarHBondContact N-O 2.9Å
458	E	89.9	Confident	87.4	Confident	150 Å²	150	63.8 Å²	63.8	70%	0.701	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-61.5	-34.5	-175.7	-67.4	-174.8	161.9	0	0	113.1	E460 K461	E458-E460 PolarHBondContact O-N 3.11Å; E458-K461 PolarHBondContact O-N 2.79Å
459	Q	88.5	Confident	86.3	Confident	153 Å²	153	66 Å²	66	72%	0.715	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-71.2	-20.2	179.8	-55.7	79.7	6.7	0	0	113	Q457	Q457-Q459 VanDerWaalsContact C-N 3.27Å; Q457-Q459 PolarHBondContact O-N 2.83Å
460	E	89	Confident	84.9	Confident	48 Å²	48	74 Å²	74	22%	0.224	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-98.1	-12.3	-177.7	-69	-73.7	146.6	0	0	111.8	Q457 E458 R553 R569	Q457-E460 HydrophobicContact CB-CB 4.27Å; Q457-E460 HydrophobicContact CB-CG 4.21Å; Q457-E460 PolarHBondContact O-N 2.62Å; Q457-E460 VanDerWaalsContact O-N 3.1Å; E458-E460 PolarHBondContact O-N 3.11Å; E460-R553 IonicContact OE2-CZ 2.89Å; E460-R553 IonicContact OE2-NH1 2.91Å; E460-R553 PolarHBondContact OE2-NH1 3.34Å; E460-R553 IonicContact OE2-NH2 2.76Å; E460-R569 PolarHBondContact O-NH2 2.96Å; E460-R569 IonicContact OE2-CZ 3.38Å; E460-R569 IonicContact OE2-NE 2.76Å; E460-R569 IonicContact OE2-NH2 3.49Å; E460-R569 PolarHBondContact OE2-NH2 3.16Å
461	K	91.8	Very high	83.4	Confident	72 Å²	72	76.3 Å²	76.3	31%	0.313	41%	0.41	S	S	.	.	S	Bend	trans	-64.7	141.7	174.6	-68.6	177.1	-173.4	172.4	0	110.3	Q454 G456 Q457 E458 I463 L592	Q454-K461 HydrophobicContact CB-CD 4.45Å; Q454-K461 HydrophobicContact CB-CG 4.24Å; G456-K461 WeakPolarHBondContact O-CE 3.47Å; Q457-K461 PolarHBondContact O-N 3.25Å; E458-K461 PolarHBondContact O-N 2.79Å; K461-I463 PolarHBondContact O-N 2.96Å; K461-L592 HydrophobicContact CG-CD1 4.04Å
462	Y	90.7	Very high	81.9	Confident	22 Å²	22	80.5 Å²	80.5	9%	0.086	44%	0.442	C	S	.	.			trans	-64.2	133.9	167.4	-68.7	-81.8	0	0	0	109.2	Q454 L500 V502 N523 M525 W555 R569 L592	Q454-Y462 PolarHBondContact NE2-O 3.23Å; Y462-L500 HydrophobicContact CD1-CD2 3.71Å; Y462-L500 HydrophobicContact CD2-CD1 4.1Å; Y462-L500 HydrophobicContact CD2-CD2 3.84Å; Y462-L500 HydrophobicContact CE1-CD2 4.38Å; Y462-L500 HydrophobicContact CE2-CD1 4.34Å; Y462-L500 HydrophobicContact CE2-CD2 4.49Å; Y462-L500 HydrophobicContact CG-CD2 3.41Å; Y462-L500 VanDerWaalsContact CG-CD2 3.41Å; Y462-V502 VanDerWaalsContact CB-CG2 3.48Å; Y462-V502 WeakPolarHBondContact O-CG2 3.36Å; Y462-N523 HydrophobicContact CD1-CB 4.19Å; Y462-N523 HydrophobicContact CE1-CB 4.42Å; Y462-M525 PolarHBondContact OH-SD 3.3Å; Y462-W555 HydrophobicContact CE2-CH2 4.12Å; Y462-W555 HydrophobicContact CE2-CZ2 4.49Å; Y462-R569 PolarHBondContact OH-NH1 3.28Å; Y462-L592 HydrophobicContact CD2-CD2 3.7Å; Y462-L592 HydrophobicContact CE2-CD2 3.52Å
463	I	87.5	Confident	80.6	Confident	114 Å²	114	89.8 Å²	89.8	59%	0.585	48%	0.477	S	S	*	.			trans	-113.1	157.5	172.8	59.4	172.5	0	0	0	108.7	K461 K465	K461-I463 PolarHBondContact O-N 2.96Å; I463-K465 PolarHBondContact O-N 2.79Å
464	T	83.7	Confident	79.3	Confident	65 Å²	65	91 Å²	91	40%	0.399	49%	0.491	S	S	.	.			trans	-62.5	125.7	168.6	51.7	0	0	0	0	109	V502 Q503 D522	T464-V502 HydrophobicContact CG2-CB 4.37Å; T464-Q503 HydrophobicContact CG2-CB 3.57Å; T464-Q503 HydrophobicContact CG2-CG 3.66Å; T464-D522 WeakPolarHBondContact CA-OD2 3.27Å
465	K	77.9	Confident	77.8	Confident	68 Å²	68	94.7 Å²	94.7	30%	0.296	50%	0.504	S	S	.	.			trans	-110.8	155.9	176.8	-63.7	175	179.8	168.8	0	107.9	I463 P467 D522 N523 E545	I463-K465 PolarHBondContact O-N 2.79Å; K465-P467 WeakPolarHBondContact O-CD 3.01Å; K465-D522 HydrophobicContact CB-CB 4.23Å; K465-D522 PolarHBondContact N-OD2 3.36Å; K465-N523 WeakPolarHBondContact CD-OD1 3.46Å; K465-N523 VanDerWaalsContact CE-OD1 3.23Å; K465-N523 WeakPolarHBondContact CE-OD1 3.26Å; K465-N523 PolarHBondContact NZ-OD1 2.99Å; K465-N523 VanDerWaalsContact NZ-OD1 3.1Å; K465-E545 IonicContact NZ-OE2 3.29Å; K465-E545 PolarHBondContact NZ-OE2 2.85Å
466	I	71.3	Confident	76.3	Confident	73 Å²	73	92.8 Å²	92.8	37%	0.374	51%	0.506	S	S	.	.			trans	-100.8	109.7	168.9	-59	177.7	0	0	0	106.9	G468 G469 T471 W475	I466-G468 PolarHBondContact O-N 2.83Å; I466-G469 WeakPolarHBondContact CG2-O 3.27Å; I466-G469 PolarHBondContact O-N 2.86Å; I466-T471 HydrophobicContact CG2-CG2 3.6Å; I466-W475 HydrophobicContact CD1-CH2 3.76Å; I466-W475 HydrophobicContact CD1-CZ2 3.97Å; I466-W475 HydrophobicContact CD1-CZ3 4.36Å; I466-W475 HydrophobicContact CG1-CH2 3.72Å; I466-W475 HydrophobicContact CG1-CZ2 3.85Å; I466-W475 HydrophobicContact CG2-CZ2 4.33Å
467	P	64.2	Low	74.9	Confident	69 Å²	69	100.4 Å²	100.4	45%	0.448	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	126	177.3	-23.3	33.1	0	0	0	110.5	K465 V520	K465-P467 WeakPolarHBondContact O-CD 3.01Å; P467-V520 HydrophobicContact CG-CG1 4.19Å
468	G	62.7	Low	73.7	Confident	81 Å²	81	98.9 Å²	98.9	84%	0.835	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	4.6	-178.6	0	0	0	0	0	115.9	I466 M470	I466-G468 PolarHBondContact O-N 2.83Å; G468-M470 PolarHBondContact O-N 2.93Å
469	G	68	Low	72.8	Confident	48 Å²	48	96.7 Å²	96.7	50%	0.495	52%	0.524	S	S	.	.	S	Bend	trans	78.7	-86.2	174.6	0	0	0	0	0	113	I466	I466-G469 WeakPolarHBondContact CG2-O 3.27Å; I466-G469 PolarHBondContact O-N 2.86Å
470	M	65	Low	72.2	Confident	179 Å²	179	89.9 Å²	89.9	88%	0.882	49%	0.493	S	S	*	.	S	Bend	trans	-94.4	122.9	178.7	-64.5	-66.4	-179.5	0	0	109.7	G468	G468-M470 PolarHBondContact O-N 2.93Å
471	T	62.4	Low	71.6	Confident	52 Å²	52	94.4 Å²	94.4	32%	0.319	51%	0.509	S	S	.	.			trans	-66.1	139.9	175.4	56.5	0	0	0	0	110.2	I466 R473	I466-T471 HydrophobicContact CG2-CG2 3.6Å; T471-R473 VanDerWaalsContact CB-O 3.28Å; T471-R473 WeakPolarHBondContact CB-O 3.12Å; T471-R473 PolarHBondContact O-N 2.67Å; T471-R473 VanDerWaalsContact O-N 3.11Å; T471-R473 PolarHBondContact OG1-O 2.85Å
472	P	63.8	Low	70.9	Confident	136 Å²	136	98.2 Å²	98.2	88%	0.883	53%	0.534	S	S	*	.	S	Bend	trans	-66.2	-13.1	178.5	24.4	-32.6	0	0	0	113.3
473	R	68.6	Low	70.6	Confident	203 Å²	203	103.9 Å²	103.9	77%	0.766	56%	0.556	S	S	*	*	S	Bend	trans	-137.3	142.7	176	-61.2	-179.4	-178.2	-175	-0.1	108.8	T471 W475	T471-R473 VanDerWaalsContact CB-O 3.28Å; T471-R473 WeakPolarHBondContact CB-O 3.12Å; T471-R473 PolarHBondContact O-N 2.67Å; T471-R473 VanDerWaalsContact O-N 3.11Å; T471-R473 PolarHBondContact OG1-O 2.85Å; R473-W475 PolarHBondContact O-N 3.09Å
474	P	66.7	Low	70.5	Confident	124 Å²	124	103 Å²	103	81%	0.805	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-57.4	133.4	170.9	23	-30.1	0	0	0	108.8	V476	P474-V476 PolarHBondContact O-N 3.01Å
475	W	63.3	Low	70.8	Confident	110 Å²	110	103 Å²	103	42%	0.417	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-54.4	130.4	172.7	-76.3	-17	0	0	0	108.9	I466 R473 Q477	I466-W475 HydrophobicContact CD1-CH2 3.76Å; I466-W475 HydrophobicContact CD1-CZ2 3.97Å; I466-W475 HydrophobicContact CD1-CZ3 4.36Å; I466-W475 HydrophobicContact CG1-CH2 3.72Å; I466-W475 HydrophobicContact CG1-CZ2 3.85Å; I466-W475 HydrophobicContact CG2-CZ2 4.33Å; R473-W475 PolarHBondContact O-N 3.09Å; W475-Q477 PolarHBondContact O-N 2.76Å
476	V	63.9	Low	71.5	Confident	88 Å²	88	100.9 Å²	100.9	53%	0.533	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-56.5	117.6	161.7	-173.4	0	0	0	0	103.9	P474 V478	P474-V476 PolarHBondContact O-N 3.01Å; V476-V478 HydrophobicContact CB-CG2 3.94Å; V476-V478 HydrophobicContact CG1-CG2 3.57Å; V476-V478 PolarHBondContact O-N 2.89Å
477	Q	62.4	Low	72.5	Confident	180 Å²	180	97.7 Å²	97.7	84%	0.841	52%	0.518	S	S	*	.			trans	-69.5	56.7	-176.6	-67.7	-179.4	-26	0	0	110.6	W475 L479	W475-Q477 PolarHBondContact O-N 2.76Å; Q477-L479 PolarHBondContact O-N 3.13Å; Q477-L479 VanDerWaalsContact O-N 3.13Å
478	V	67.4	Low	73.9	Confident	42 Å²	42	94.5 Å²	94.5	26%	0.255	50%	0.497	S	S	.	.			trans	-74.2	106	175.6	-171.1	0	0	0	0	106.2	V476 C480 I515 Y518	V476-V478 HydrophobicContact CB-CG2 3.94Å; V476-V478 HydrophobicContact CG1-CG2 3.57Å; V476-V478 PolarHBondContact O-N 2.89Å; V478-C480 PolarHBondContact O-N 2.89Å; V478-I515 HydrophobicContact CB-CG2 4.34Å; V478-I515 HydrophobicContact CG1-CD1 3.64Å; V478-I515 HydrophobicContact CG1-CG1 4.36Å; V478-I515 HydrophobicContact CG1-CG2 4.42Å; V478-I515 HydrophobicContact CG2-CG2 4.44Å; V478-Y518 HydrophobicContact CB-CE2 4.46Å; V478-Y518 WeakPolarHBondContact O-CE2 3.4Å; V478-Y518 PolarHBondContact O-OH 3.07Å
479	L	70.9	Confident	75.3	Confident	103 Å²	103	92.4 Å²	92.4	54%	0.539	47%	0.466	S	S	.	.			trans	-71.7	114.9	178	-63.6	170.6	0	0	0	109.2	Q477 Y481 R507	Q477-L479 PolarHBondContact O-N 3.13Å; Q477-L479 VanDerWaalsContact O-N 3.13Å; L479-Y481 HydrophobicContact CB-CD1 4.18Å; L479-Y481 HydrophobicContact CB-CE1 3.79Å; L479-Y481 HydrophobicContact CB-CE2 4.42Å; L479-Y481 HydrophobicContact CD1-CE1 3.85Å; L479-Y481 HydrophobicContact CG-CE1 4.49Å; L479-Y481 PolarHBondContact O-N 3Å; L479-Y481 VanDerWaalsContact O-N 3.16Å; L479-R507 PolarHBondContact O-NH1 2.82Å
480	C	76.1	Confident	76.6	Confident	10 Å²	10	90.1 Å²	90.1	7%	0.068	44%	0.442	C	S	.	.			trans	-76.8	94.2	165.7	-151.2	0	0	0	0	107.4	V478 N482 W484 C505	V478-C480 PolarHBondContact O-N 2.89Å; C480-N482 PolarHBondContact O-N 2.9Å; C480-W484 HydrophobicContact CB-CD2 4.06Å; C480-W484 HydrophobicContact CB-CE3 4.41Å; C480-W484 HydrophobicContact CB-CH2 3.84Å; C480-W484 HydrophobicContact CB-CZ2 3.39Å; C480-W484 HydrophobicContact CB-CZ3 4.32Å; C480-W484 PolarHBondContact O-NE1 3.06Å; C480-C505 HydrophobicContact CB-CB 3.94Å; C480-C505 WeakPolarHBondContact CB-SG 3.44Å; C480-C505 VanDerWaalsContact SG-CA 3.52Å; C480-C505 WeakPolarHBondContact SG-CB 3.3Å; C480-C505 CovalentContact SG-SG 2.05Å; C480-C505 PolarHBondContact SG-SG 3.27Å
481	Y	74.7	Confident	77.8	Confident	143 Å²	143	82.9 Å²	82.9	56%	0.561	41%	0.409	S	S	*	.			trans	-70.1	70	-177.7	-62	-66.5	0	0	0	111.8	L479 Y483	L479-Y481 HydrophobicContact CB-CD1 4.18Å; L479-Y481 HydrophobicContact CB-CE1 3.79Å; L479-Y481 HydrophobicContact CB-CE2 4.42Å; L479-Y481 HydrophobicContact CD1-CE1 3.85Å; L479-Y481 HydrophobicContact CG-CE1 4.49Å; L479-Y481 PolarHBondContact O-N 3Å; L479-Y481 VanDerWaalsContact O-N 3.16Å; Y481-Y483 WeakPolarHBondContact O-CD2 2.83Å
482	N	77.6	Confident	78.9	Confident	153 Å²	153	85.2 Å²	85.2	82%	0.818	42%	0.419	S	S	*	.	S	Bend	trans	72.5	15.6	177.8	-51.6	-29.1	0	0	0	116.8	C480 W484	C480-N482 PolarHBondContact O-N 2.9Å; N482-W484 PolarHBondContact O-N 2.76Å
483	Y	84.1	Confident	80.1	Confident	140 Å²	140	86.8 Å²	86.8	55%	0.549	42%	0.42	S	S	.	.			trans	-92.5	43.7	173.5	-64.9	-84.4	0	0	0	112.1	Y481 W506	Y481-Y483 WeakPolarHBondContact O-CD2 2.83Å; Y483-W506 PolarHBondContact O-N 2.81Å
484	W	86.6	Confident	81.1	Confident	97 Å²	97	79.7 Å²	79.7	37%	0.367	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	124	178.5	-63.4	110.6	0	0	0	109.7	C480 N482 Q503 C505 Y518	C480-W484 HydrophobicContact CB-CD2 4.06Å; C480-W484 HydrophobicContact CB-CE3 4.41Å; C480-W484 HydrophobicContact CB-CH2 3.84Å; C480-W484 HydrophobicContact CB-CZ2 3.39Å; C480-W484 HydrophobicContact CB-CZ3 4.32Å; C480-W484 PolarHBondContact O-NE1 3.06Å; N482-W484 PolarHBondContact O-N 2.76Å; W484-Q503 HydrophobicContact CD2-CB 4.28Å; W484-Q503 HydrophobicContact CE3-CB 3.68Å; W484-Q503 VanDerWaalsContact CE3-O 3.24Å; W484-Q503 HydrophobicContact CZ3-CB 4.1Å; W484-Q503 WeakPolarHBondContact CZ3-O 3.41Å; W484-C505 HydrophobicContact CE3-CB 4.07Å; W484-C505 HydrophobicContact CH2-CB 4.27Å; W484-C505 HydrophobicContact CZ3-CB 3.71Å; W484-Y518 AromaticContact CH2-CD1 3.85Å; W484-Y518 HydrophobicContact CH2-CD1 3.85Å; W484-Y518 AromaticContact CH2-CE1 3.66Å; W484-Y518 HydrophobicContact CH2-CE1 3.66Å; W484-Y518 HydrophobicContact CH2-CG 4.49Å; W484-Y518 HydrophobicContact CZ3-CD1 4.06Å; W484-Y518 HydrophobicContact CZ3-CE1 4.34Å
485	E	88.8	Confident	82.3	Confident	63 Å²	63	75 Å²	75	29%	0.294	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	144.2	175.5	-60.9	-168.8	152.4	0	0	109.5	K451 K504	K451-E485 WeakPolarHBondContact CE-OE2 3.33Å; K451-E485 IonicContact NZ-OE1 2.77Å; K451-E485 PolarHBondContact NZ-OE1 3.28Å; K451-E485 VanDerWaalsContact NZ-OE1 3.14Å; K451-E485 IonicContact NZ-OE2 2.85Å; K451-E485 PolarHBondContact NZ-OE2 2.94Å; E485-K504 PolarHBondContact N-O 3.41Å; E485-K504 WeakPolarHBondContact O-CA 3.16Å; E485-K504 WeakPolarHBondContact O-CB 2.96Å; E485-K504 PolarHBondContact O-N 3.19Å
486	S	92.2	Very high	83.7	Confident	24 Å²	24	73.7 Å²	73.7	17%	0.168	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	140.3	170.4	55.6	0	0	0	0	109.1	K451 F452 D501	K451-S486 WeakPolarHBondContact CA-O 3.37Å; K451-S486 WeakPolarHBondContact CG-O 3.16Å; F452-S486 PolarHBondContact N-OG 2.75Å; F452-S486 WeakPolarHBondContact O-CB 3.01Å; F452-S486 PolarHBondContact O-OG 2.86Å; S486-D501 WeakPolarHBondContact CA-O 3.14Å
487	N	92.5	Very high	85.2	Confident	7 Å²	7	70.3 Å²	70.3	4%	0.037	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	125.5	178.7	-178.5	13	0	0	0	110	F450 F452 E489 D501 K504	F450-N487 CarbonylContact O-C 3.57Å; F450-N487 WeakPolarHBondContact O-CA 3.28Å; F452-N487 WeakPolarHBondContact CE1-O 3.43Å; N487-E489 PolarHBondContact ND2-OE2 3.42Å; N487-D501 PolarHBondContact N-O 3.3Å; N487-D501 PolarHBondContact O-N 3.37Å; N487-K504 HydrophobicContact CB-CD 4.05Å
488	I	94.3	Very high	86.7	Confident	1 Å²	1	62 Å²	62	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	125.4	164.4	-175.6	175.9	0	0	0	108.9	F450 F452 L498 Q499 L500 M525 L596	F450-I488 HydrophobicContact CB-CG2 3.78Å; F450-I488 HydrophobicContact CD2-CG2 4.36Å; F450-I488 PolarHBondContact N-O 3.45Å; F450-I488 PolarHBondContact O-N 3.21Å; F452-I488 HydrophobicContact CB-CG2 4.29Å; F452-I488 HydrophobicContact CD1-CB 3.84Å; F452-I488 HydrophobicContact CD1-CG2 3.78Å; F452-I488 HydrophobicContact CE1-CB 4.15Å; F452-I488 HydrophobicContact CG-CG2 4.4Å; I488-L498 HydrophobicContact CD1-CB 4.38Å; I488-L498 HydrophobicContact CD1-CD2 4.18Å; I488-L498 HydrophobicContact CG1-CD2 4.28Å; I488-Q499 CarbonylContact C-O 3.51Å; I488-Q499 VanDerWaalsContact CA-O 3.28Å; I488-Q499 WeakPolarHBondContact CA-O 3.13Å; I488-L500 HydrophobicContact CB-CD1 4.49Å; I488-L500 HydrophobicContact CD1-CD1 4.1Å; I488-L500 HydrophobicContact CG1-CB 4.41Å; I488-L500 HydrophobicContact CG1-CD1 4.49Å; I488-M525 HydrophobicContact CD1-CE 4.18Å; I488-L596 HydrophobicContact CG2-CD1 4.39Å; I488-L596 HydrophobicContact CG2-CD2 3.67Å
489	E	93	Very high	87.9	Confident	37 Å²	37	62 Å²	62	17%	0.173	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	141	-177	63.9	-172	-146.9	0	0	112.8	G448 K449 N487 Q499	G448-E489 WeakPolarHBondContact O-CA 3.39Å; K449-E489 HydrophobicContact CB-CB 4.37Å; K449-E489 HydrophobicContact CG-CB 4.22Å; N487-E489 PolarHBondContact ND2-OE2 3.42Å; E489-Q499 HydrophobicContact CG-CB 3.99Å; E489-Q499 PolarHBondContact N-O 2.86Å; E489-Q499 PolarHBondContact O-N 2.79Å
490	A	93.4	Very high	89	Confident	1 Å²	1	57 Å²	57	1%	0.008	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	92.7	165.9	0	0	0	0	0	107.3	C444 Q447 G448 L498	C444-A490 HydrophobicContact CB-CB 4.43Å; Q447-A490 WeakPolarHBondContact CA-O 3.03Å; Q447-A490 WeakPolarHBondContact CB-O 3.16Å; G448-A490 PolarHBondContact N-O 2.76Å; G448-A490 PolarHBondContact O-N 3.43Å; A490-L498 HydrophobicContact CB-CD2 3.71Å; A490-L498 HydrophobicContact CB-CG 4.48Å
491	C	90.6	Very high	89.7	Confident	26 Å²	26	56.8 Å²	56.8	18%	0.176	27%	0.274	C	S	.	.			trans	-103.2	174	-173.1	-56	0	0	0	0	112	N493 D494 P495 C606	C491-N493 PolarHBondContact O-N 2.92Å; C491-N493 VanDerWaalsContact O-N 3.1Å; C491-D494 CarbonylContact O-C 3.52Å; C491-D494 PolarHBondContact O-N 3.02Å; C491-P495 VanDerWaalsContact O-CA 3.27Å; C491-P495 WeakPolarHBondContact O-CA 2.83Å; C491-P495 WeakPolarHBondContact O-CD 3.32Å; C491-C606 WeakPolarHBondContact CA-SG 3.47Å; C491-C606 HydrophobicContact CB-CB 3.83Å; C491-C606 WeakPolarHBondContact CB-SG 3.29Å; C491-C606 WeakPolarHBondContact SG-CB 3.32Å; C491-C606 CovalentContact SG-SG 2.04Å; C491-C606 PolarHBondContact SG-SG 2.88Å
492	L	87.1	Confident	90.4	Very high	101 Å²	101	51.2 Å²	51.2	53%	0.529	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-25.5	-175	-65.5	175.1	0	0	0	114.9	V605 P607	L492-V605 HydrophobicContact CD1-CG1 4.3Å; L492-P607 HydrophobicContact CD1-CG 4.08Å; L492-P607 HydrophobicContact CD2-CG 4.39Å; L492-P607 HydrophobicContact CG-CG 4.21Å
493	N	87.4	Confident	90.9	Very high	170 Å²	170	48.3 Å²	48.3	91%	0.909	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-36.3	177.2	-69	-14.2	0	0	0	112.1	C491	C491-N493 PolarHBondContact O-N 2.92Å; C491-N493 VanDerWaalsContact O-N 3.1Å
494	D	90.3	Very high	91	Very high	54 Å²	54	42.8 Å²	42.8	29%	0.289	22%	0.215	S	C	.	.	S	Bend	trans	-143.7	75.1	175.6	-169.5	3.9	0	0	0	110.5	C491 K496 T497	C491-D494 CarbonylContact O-C 3.52Å; C491-D494 PolarHBondContact O-N 3.02Å; D494-K496 PolarHBondContact O-N 3.4Å; D494-K496 VanDerWaalsContact O-N 3.17Å; D494-T497 WeakPolarHBondContact OD2-CG2 3.21Å; D494-T497 PolarHBondContact OD2-OG1 3.05Å
495	P	91.5	Very high	90.8	Very high	24 Å²	24	38.5 Å²	38.5	16%	0.156	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-0.9	-174.9	31.4	-35.6	0	0	0	112.3	N443 C444 C491	N443-P495 WeakPolarHBondContact CA-O 3.44Å; C444-P495 PolarHBondContact N-O 2.62Å; C491-P495 VanDerWaalsContact O-CA 3.27Å; C491-P495 WeakPolarHBondContact O-CA 2.83Å; C491-P495 WeakPolarHBondContact O-CD 3.32Å
496	K	93.6	Very high	90.4	Very high	83 Å²	83	40 Å²	40	36%	0.361	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-15.9	-172.5	-56.3	-175.8	174.3	-165.9	0	113	P441 I442 N443 D494 C527	P441-K496 HydrophobicContact CB-CB 4.08Å; P441-K496 HydrophobicContact CB-CD 3.92Å; P441-K496 WeakPolarHBondContact O-CD 3.28Å; P441-K496 PolarHBondContact O-NZ 2.85Å; I442-K496 WeakPolarHBondContact O-CA 3.36Å; I442-K496 VanDerWaalsContact O-CB 3.28Å; I442-K496 WeakPolarHBondContact O-CB 3.49Å; N443-K496 WeakPolarHBondContact OD1-CG 3.21Å; D494-K496 PolarHBondContact O-N 3.4Å; D494-K496 VanDerWaalsContact O-N 3.17Å; K496-C527 PolarHBondContact O-N 2.69Å
497	T	94.4	Very high	89.9	Confident	18 Å²	18	43.3 Å²	43.3	11%	0.11	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	136.9	176.3	75.5	0	0	0	0	109.5	D494 M525	D494-T497 WeakPolarHBondContact OD2-CG2 3.21Å; D494-T497 PolarHBondContact OD2-OG1 3.05Å; T497-M525 CarbonylContact C-O 3.51Å; T497-M525 WeakPolarHBondContact CA-O 3.38Å
498	L	94.1	Very high	89.3	Confident	4 Å²	4	47.1 Å²	47.1	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	112.6	166	-72.1	162.6	0	0	0	107	C444 I488 A490 M525	C444-L498 HydrophobicContact CB-CG 4.44Å; I488-L498 HydrophobicContact CD1-CB 4.38Å; I488-L498 HydrophobicContact CD1-CD2 4.18Å; I488-L498 HydrophobicContact CG1-CD2 4.28Å; A490-L498 HydrophobicContact CB-CD2 3.71Å; A490-L498 HydrophobicContact CB-CG 4.48Å; L498-M525 HydrophobicContact CB-CB 4.24Å; L498-M525 HydrophobicContact CB-CE 3.88Å; L498-M525 HydrophobicContact CD1-CE 4.24Å; L498-M525 PolarHBondContact N-O 3.36Å; L498-M525 PolarHBondContact O-N 3.03Å
499	Q	93.6	Very high	88.7	Confident	42 Å²	42	49.8 Å²	49.8	20%	0.196	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	111.7	177.5	-64.5	-172.3	26.1	0	0	107.7	I488 E489 V521 Y524	I488-Q499 CarbonylContact C-O 3.51Å; I488-Q499 VanDerWaalsContact CA-O 3.28Å; I488-Q499 WeakPolarHBondContact CA-O 3.13Å; E489-Q499 HydrophobicContact CG-CB 3.99Å; E489-Q499 PolarHBondContact N-O 2.86Å; E489-Q499 PolarHBondContact O-N 2.79Å; Q499-V521 HydrophobicContact CB-CG1 3.97Å; Q499-V521 HydrophobicContact CB-CG2 4.28Å; Q499-Y524 HydrophobicContact CG-CD1 4.04Å; Q499-Y524 HydrophobicContact CG-CE1 4.1Å
500	L	92.7	Very high	88.1	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	119	-176	178.6	136.7	0	0	0	110.9	F452 Y462 I488 V502 V521 N523 M525 L594	F452-L500 HydrophobicContact CD1-CD1 4.47Å; F452-L500 HydrophobicContact CE1-CD1 3.86Å; F452-L500 HydrophobicContact CE1-CG 3.81Å; F452-L500 HydrophobicContact CE2-CD1 4Å; F452-L500 HydrophobicContact CE2-CG 4.41Å; F452-L500 HydrophobicContact CZ-CD1 3.6Å; F452-L500 HydrophobicContact CZ-CD2 3.98Å; F452-L500 HydrophobicContact CZ-CG 3.58Å; Y462-L500 HydrophobicContact CD1-CD2 3.71Å; Y462-L500 HydrophobicContact CD2-CD1 4.1Å; Y462-L500 HydrophobicContact CD2-CD2 3.84Å; Y462-L500 HydrophobicContact CE1-CD2 4.38Å; Y462-L500 HydrophobicContact CE2-CD1 4.34Å; Y462-L500 HydrophobicContact CE2-CD2 4.49Å; Y462-L500 HydrophobicContact CG-CD2 3.41Å; Y462-L500 VanDerWaalsContact CG-CD2 3.41Å; I488-L500 HydrophobicContact CB-CD1 4.49Å; I488-L500 HydrophobicContact CD1-CD1 4.1Å; I488-L500 HydrophobicContact CG1-CB 4.41Å; I488-L500 HydrophobicContact CG1-CD1 4.49Å; L500-V502 HydrophobicContact CD2-CG2 3.87Å; L500-V521 WeakPolarHBondContact O-CG1 3.41Å; L500-N523 HydrophobicContact CB-CB 4.21Å; L500-N523 HydrophobicContact CD2-CB 3.88Å; L500-N523 PolarHBondContact N-O 3.41Å; L500-N523 WeakPolarHBondContact O-CB 3.41Å; L500-N523 PolarHBondContact O-N 3.04Å; L500-M525 HydrophobicContact CB-CE 4.42Å; L500-M525 HydrophobicContact CD1-CE 4.39Å; L500-L594 HydrophobicContact CD1-CD1 4.12Å
501	D	90.7	Very high	87.6	Confident	5 Å²	5	61 Å²	61	3%	0.027	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	121.2	173.7	-173.2	-4.9	0	0	0	109.5	F452 S486 N487 Q503 K504 V521	F452-D501 VanDerWaalsContact CE1-O 3.24Å; F452-D501 WeakPolarHBondContact CE1-O 3.43Å; F452-D501 WeakPolarHBondContact CZ-O 3.45Å; S486-D501 WeakPolarHBondContact CA-O 3.14Å; N487-D501 PolarHBondContact N-O 3.3Å; N487-D501 PolarHBondContact O-N 3.37Å; D501-Q503 PolarHBondContact OD1-N 3.44Å; D501-Q503 VanDerWaalsContact OD1-N 3.11Å; D501-K504 HydrophobicContact CB-CB 4.49Å; D501-K504 PolarHBondContact OD1-N 3.13Å; D501-K504 WeakPolarHBondContact OD2-CA 3.25Å; D501-K504 WeakPolarHBondContact OD2-CB 3.41Å; D501-K504 WeakPolarHBondContact OD2-CG 3.48Å; D501-V521 HydrophobicContact CB-CG1 4.49Å
502	V	90.9	Very high	87.1	Confident	25 Å²	25	62 Å²	62	15%	0.152	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-34.3	-175.5	-177.1	0	0	0	0	111.4	F452 Y462 T464 L500	F452-V502 HydrophobicContact CZ-CG2 4.19Å; Y462-V502 VanDerWaalsContact CB-CG2 3.48Å; Y462-V502 WeakPolarHBondContact O-CG2 3.36Å; T464-V502 HydrophobicContact CG2-CB 4.37Å; L500-V502 HydrophobicContact CD2-CG2 3.87Å
503	Q	86.5	Confident	86.7	Confident	93 Å²	93	63.2 Å²	63.2	44%	0.435	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	75.6	-176.6	-60.3	-176.6	-18	0	0	109.2	T464 W484 D501	T464-Q503 HydrophobicContact CG2-CB 3.57Å; T464-Q503 HydrophobicContact CG2-CG 3.66Å; W484-Q503 HydrophobicContact CD2-CB 4.28Å; W484-Q503 HydrophobicContact CE3-CB 3.68Å; W484-Q503 VanDerWaalsContact CE3-O 3.24Å; W484-Q503 HydrophobicContact CZ3-CB 4.1Å; W484-Q503 WeakPolarHBondContact CZ3-O 3.41Å; D501-Q503 PolarHBondContact OD1-N 3.44Å; D501-Q503 VanDerWaalsContact OD1-N 3.11Å
504	K	86.1	Confident	86	Confident	24 Å²	24	57.8 Å²	57.8	10%	0.104	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	125.9	170.9	-165.9	164.5	-177.5	163.9	0	109.3	E485 N487 D501 W506	E485-K504 PolarHBondContact N-O 3.41Å; E485-K504 WeakPolarHBondContact O-CA 3.16Å; E485-K504 WeakPolarHBondContact O-CB 2.96Å; E485-K504 PolarHBondContact O-N 3.19Å; N487-K504 HydrophobicContact CB-CD 4.05Å; D501-K504 HydrophobicContact CB-CB 4.49Å; D501-K504 PolarHBondContact OD1-N 3.13Å; D501-K504 WeakPolarHBondContact OD2-CA 3.25Å; D501-K504 WeakPolarHBondContact OD2-CB 3.41Å; D501-K504 WeakPolarHBondContact OD2-CG 3.48Å; K504-W506 PolarHBondContact O-N 2.73Å
505	C	83.7	Confident	85	Confident	6 Å²	6	56 Å²	56	4%	0.041	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	113	173.5	-176.3	0	0	0	0	109.7	C480 W484 R507 Y518	C480-C505 HydrophobicContact CB-CB 3.94Å; C480-C505 WeakPolarHBondContact CB-SG 3.44Å; C480-C505 VanDerWaalsContact SG-CA 3.52Å; C480-C505 WeakPolarHBondContact SG-CB 3.3Å; C480-C505 CovalentContact SG-SG 2.05Å; C480-C505 PolarHBondContact SG-SG 3.27Å; W484-C505 HydrophobicContact CE3-CB 4.07Å; W484-C505 HydrophobicContact CH2-CB 4.27Å; W484-C505 HydrophobicContact CZ3-CB 3.71Å; C505-R507 VanDerWaalsContact C-N 3.27Å; C505-R507 PolarHBondContact O-N 2.95Å; C505-Y518 HydrophobicContact CB-CD2 3.9Å; C505-Y518 HydrophobicContact CB-CG 3.82Å
506	W	80.5	Confident	83.7	Confident	96 Å²	96	59.1 Å²	59.1	36%	0.364	31%	0.307	S	S	.	.			trans	-82.4	-4.8	-179.6	-172.4	-112.4	0	0	0	113.8	Y483 K504 L508 Y601	Y483-W506 PolarHBondContact O-N 2.81Å; K504-W506 PolarHBondContact O-N 2.73Å; W506-L508 PolarHBondContact O-N 2.86Å; W506-Y601 AromaticContact CH2-CD2 3.63Å; W506-Y601 HydrophobicContact CH2-CD2 3.63Å; W506-Y601 AromaticContact CH2-CE2 3.19Å; W506-Y601 HydrophobicContact CH2-CE2 3.19Å; W506-Y601 AromaticContact CH2-CZ 3.75Å; W506-Y601 HydrophobicContact CZ2-CD2 4.15Å; W506-Y601 HydrophobicContact CZ2-CE1 4.21Å; W506-Y601 AromaticContact CZ2-CE2 3.54Å; W506-Y601 HydrophobicContact CZ2-CE2 3.54Å; W506-Y601 AromaticContact CZ2-CZ 3.57Å; W506-Y601 HydrophobicContact CZ3-CD2 4.39Å; W506-Y601 AromaticContact CZ3-CE2 3.75Å; W506-Y601 HydrophobicContact CZ3-CE2 3.75Å
507	R	80.9	Confident	82.4	Confident	93 Å²	93	58.6 Å²	58.6	35%	0.351	31%	0.306	S	S	.	.			trans	-67	128.1	-179.4	-174.7	179.6	-176.9	171.6	5.8	110.6	L479 C505 I515	L479-R507 PolarHBondContact O-NH1 2.82Å; C505-R507 VanDerWaalsContact C-N 3.27Å; C505-R507 PolarHBondContact O-N 2.95Å; R507-I515 HydrophobicContact CB-CD1 3.89Å; R507-I515 HydrophobicContact CG-CD1 4.08Å; R507-I515 WeakPolarHBondContact O-CD1 3.46Å; R507-I515 WeakPolarHBondContact O-CG1 3.4Å
508	L	81	Confident	81	Confident	87 Å²	87	59.8 Å²	59.8	46%	0.455	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-87.9	149.8	173	-55.5	176.5	0	0	0	110.7	W506 Q513 P514	W506-L508 PolarHBondContact O-N 2.86Å; L508-Q513 CarbonylContact C-O 3.55Å; L508-Q513 WeakPolarHBondContact CA-O 3.44Å; L508-P514 HydrophobicContact CD2-CB 4.45Å
509	D	80.1	Confident	80	Confident	57 Å²	57	63 Å²	63	31%	0.305	33%	0.326	S	S	.	.			trans	-74.9	-178.2	169.4	77.5	-5.2	0	0	0	111.6	S511 G512 Q513	D509-S511 PolarHBondContact O-N 2.02Å; D509-S511 VanDerWaalsContact OD1-C 3.29Å; D509-S511 VanDerWaalsContact OD1-CA 3.29Å; D509-S511 WeakPolarHBondContact OD1-CA 3.25Å; D509-S511 WeakPolarHBondContact OD1-CB 3.49Å; D509-S511 PolarHBondContact OD1-N 3.11Å; D509-S511 PolarHBondContact OD1-OG 2.86Å; D509-S511 PolarHBondContact OD2-OG 2.76Å; D509-G512 PolarHBondContact O-N 2.88Å; D509-G512 PolarHBondContact OD1-N 2.93Å; D509-Q513 PolarHBondContact N-O 2.95Å; D509-Q513 PolarHBondContact OD1-N 2.81Å
510	F	80.4	Confident	79.3	Confident	208 Å²	208	64.9 Å²	64.9	91%	0.912	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-15	177.9	66.9	-90.9	0	0	0	113.6
511	S	84.1	Confident	78.9	Confident	66 Å²	66	65.4 Å²	65.4	46%	0.462	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-2.9	177.8	80.4	0	0	0	0	112.9	D509 Q513	D509-S511 PolarHBondContact O-N 2.02Å; D509-S511 VanDerWaalsContact OD1-C 3.29Å; D509-S511 VanDerWaalsContact OD1-CA 3.29Å; D509-S511 WeakPolarHBondContact OD1-CA 3.25Å; D509-S511 WeakPolarHBondContact OD1-CB 3.49Å; D509-S511 PolarHBondContact OD1-N 3.11Å; D509-S511 PolarHBondContact OD1-OG 2.86Å; D509-S511 PolarHBondContact OD2-OG 2.76Å; S511-Q513 VanDerWaalsContact C-N 3.32Å; S511-Q513 WeakPolarHBondContact OG-CG 3.03Å
512	G	79.7	Confident	78.5	Confident	47 Å²	47	66.1 Å²	66.1	49%	0.485	35%	0.346	S	S	.	.	S	Bend	trans	80.2	11.4	-176.5	0	0	0	0	0	113.8	D509	D509-G512 PolarHBondContact O-N 2.88Å; D509-G512 PolarHBondContact OD1-N 2.93Å
513	Q	77.7	Confident	78.5	Confident	126 Å²	126	65 Å²	65	59%	0.589	34%	0.34	S	S	*	.			trans	-89.8	145	174.6	-65.7	-175.1	2.8	0	0	110.7	L508 D509 S511	L508-Q513 CarbonylContact C-O 3.55Å; L508-Q513 WeakPolarHBondContact CA-O 3.44Å; D509-Q513 PolarHBondContact N-O 2.95Å; D509-Q513 PolarHBondContact OD1-N 2.81Å; S511-Q513 VanDerWaalsContact C-N 3.32Å; S511-Q513 WeakPolarHBondContact OG-CG 3.03Å
514	P	73.1	Confident	78.7	Confident	55 Å²	55	65.3 Å²	65.3	36%	0.357	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-62.4	144.7	170.6	27.2	-33.4	0	0	0	110.1	L508 S516	L508-P514 HydrophobicContact CD2-CB 4.45Å; P514-S516 PolarHBondContact O-N 3.26Å
515	I	70	Confident	79	Confident	16 Å²	16	64.2 Å²	64.2	8%	0.082	33%	0.333	C	S	.	.			trans	-60.4	115.9	178.4	-62.8	158	0	0	0	109	V478 R507 E517 Y518	V478-I515 HydrophobicContact CB-CG2 4.34Å; V478-I515 HydrophobicContact CG1-CD1 3.64Å; V478-I515 HydrophobicContact CG1-CG1 4.36Å; V478-I515 HydrophobicContact CG1-CG2 4.42Å; V478-I515 HydrophobicContact CG2-CG2 4.44Å; R507-I515 HydrophobicContact CB-CD1 3.89Å; R507-I515 HydrophobicContact CG-CD1 4.08Å; R507-I515 WeakPolarHBondContact O-CD1 3.46Å; R507-I515 WeakPolarHBondContact O-CG1 3.4Å; I515-E517 VanDerWaalsContact C-N 3.28Å; I515-E517 PolarHBondContact O-N 3.27Å; I515-Y518 HydrophobicContact CB-CD2 4.17Å; I515-Y518 HydrophobicContact CG2-CD2 3.72Å; I515-Y518 HydrophobicContact CG2-CE2 4.16Å; I515-Y518 PolarHBondContact O-N 3.15Å; I515-Y518 VanDerWaalsContact O-N 3.1Å
516	S	63.7	Low	79.5	Confident	90 Å²	90	65.2 Å²	65.2	63%	0.629	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-55.9	-37	-167.6	179.3	0	0	0	0	113.8	P514 Y518 N519	P514-S516 PolarHBondContact O-N 3.26Å; S516-Y518 VanDerWaalsContact C-N 3.28Å; S516-Y518 PolarHBondContact O-N 3.07Å; S516-N519 PolarHBondContact O-N 3.18Å
517	E	66	Low	80.3	Confident	73 Å²	73	60.6 Å²	60.6	34%	0.341	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-68.3	-23.8	-177.5	-67.6	78.9	-176.8	0	0	113.7	I515	I515-E517 VanDerWaalsContact C-N 3.28Å; I515-E517 PolarHBondContact O-N 3.27Å
518	Y	66.3	Low	80.9	Confident	42 Å²	42	56.2 Å²	56.2	17%	0.165	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-107.4	10.9	-178.2	-59.1	-71.5	0	0	0	113.4	V478 W484 C505 I515 S516	V478-Y518 HydrophobicContact CB-CE2 4.46Å; V478-Y518 WeakPolarHBondContact O-CE2 3.4Å; V478-Y518 PolarHBondContact O-OH 3.07Å; W484-Y518 AromaticContact CH2-CD1 3.85Å; W484-Y518 HydrophobicContact CH2-CD1 3.85Å; W484-Y518 AromaticContact CH2-CE1 3.66Å; W484-Y518 HydrophobicContact CH2-CE1 3.66Å; W484-Y518 HydrophobicContact CH2-CG 4.49Å; W484-Y518 HydrophobicContact CZ3-CD1 4.06Å; W484-Y518 HydrophobicContact CZ3-CE1 4.34Å; C505-Y518 HydrophobicContact CB-CD2 3.9Å; C505-Y518 HydrophobicContact CB-CG 3.82Å; I515-Y518 HydrophobicContact CB-CD2 4.17Å; I515-Y518 HydrophobicContact CG2-CD2 3.72Å; I515-Y518 HydrophobicContact CG2-CE2 4.16Å; I515-Y518 PolarHBondContact O-N 3.15Å; I515-Y518 VanDerWaalsContact O-N 3.1Å; S516-Y518 VanDerWaalsContact C-N 3.28Å; S516-Y518 PolarHBondContact O-N 3.07Å
519	N	72.8	Confident	81.5	Confident	73 Å²	73	52 Å²	52	39%	0.39	28%	0.283	S	S	.	.			trans	-101.8	6.8	-178.6	-161.4	26.2	0	0	0	113	S516	S516-N519 PolarHBondContact O-N 3.18Å
520	V	79.2	Confident	82.2	Confident	80 Å²	80	50.3 Å²	50.3	49%	0.485	27%	0.272	S	S	.	.	S	Bend	trans	-93.1	127.6	175.7	-177.2	0	0	0	0	108.2	P467	P467-V520 HydrophobicContact CG-CG1 4.19Å
521	V	83.8	Confident	82.8	Confident	11 Å²	11	40.6 Å²	40.6	7%	0.067	23%	0.23	C	C	.	.			trans	-76.6	138.1	178.3	-178.8	0	0	0	0	110.5	Q499 L500 D501 Y524	Q499-V521 HydrophobicContact CB-CG1 3.97Å; Q499-V521 HydrophobicContact CB-CG2 4.28Å; L500-V521 WeakPolarHBondContact O-CG1 3.41Å; D501-V521 HydrophobicContact CB-CG1 4.49Å; V521-Y524 HydrophobicContact CB-CE1 4.2Å; V521-Y524 HydrophobicContact CG1-CE1 4.37Å; V521-Y524 WeakPolarHBondContact O-CE2 3.32Å; V521-Y524 VanDerWaalsContact O-CZ 3.32Å; V521-Y524 PolarHBondContact O-OH 3.11Å
522	D	82.3	Confident	83.2	Confident	20 Å²	20	39.7 Å²	39.7	11%	0.107	22%	0.218	C	C	.	.			trans	-91.8	-36.4	-173.8	-67.6	-12.3	0	0	0	114.1	T464 K465	T464-D522 WeakPolarHBondContact CA-OD2 3.27Å; K465-D522 HydrophobicContact CB-CB 4.23Å; K465-D522 PolarHBondContact N-OD2 3.36Å
523	N	90.2	Very high	83.6	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	126.5	-173.2	-57.9	-82.4	0	0	0	110.5	Y462 K465 L500	Y462-N523 HydrophobicContact CD1-CB 4.19Å; Y462-N523 HydrophobicContact CE1-CB 4.42Å; K465-N523 WeakPolarHBondContact CD-OD1 3.46Å; K465-N523 VanDerWaalsContact CE-OD1 3.23Å; K465-N523 WeakPolarHBondContact CE-OD1 3.26Å; K465-N523 PolarHBondContact NZ-OD1 2.99Å; K465-N523 VanDerWaalsContact NZ-OD1 3.1Å; L500-N523 HydrophobicContact CB-CB 4.21Å; L500-N523 HydrophobicContact CD2-CB 3.88Å; L500-N523 PolarHBondContact N-O 3.41Å; L500-N523 WeakPolarHBondContact O-CB 3.41Å; L500-N523 PolarHBondContact O-N 3.04Å
524	Y	91.4	Very high	84	Confident	100 Å²	100	37.2 Å²	37.2	39%	0.392	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	120.6	179.2	-60.1	-91.6	0	0	0	109.5	Q499 V521	Q499-Y524 HydrophobicContact CG-CD1 4.04Å; Q499-Y524 HydrophobicContact CG-CE1 4.1Å; V521-Y524 HydrophobicContact CB-CE1 4.2Å; V521-Y524 HydrophobicContact CG1-CE1 4.37Å; V521-Y524 WeakPolarHBondContact O-CE2 3.32Å; V521-Y524 VanDerWaalsContact O-CZ 3.32Å; V521-Y524 PolarHBondContact O-OH 3.11Å
525	M	92.5	Very high	84.8	Confident	2 Å²	2	41 Å²	41	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	114.8	174.3	-60.4	179.4	-65.5	0	0	109.1	Y462 I488 T497 L498 L500 T541 W555	Y462-M525 PolarHBondContact OH-SD 3.3Å; I488-M525 HydrophobicContact CD1-CE 4.18Å; T497-M525 CarbonylContact C-O 3.51Å; T497-M525 WeakPolarHBondContact CA-O 3.38Å; L498-M525 HydrophobicContact CB-CB 4.24Å; L498-M525 HydrophobicContact CB-CE 3.88Å; L498-M525 HydrophobicContact CD1-CE 4.24Å; L498-M525 PolarHBondContact N-O 3.36Å; L498-M525 PolarHBondContact O-N 3.03Å; L500-M525 HydrophobicContact CB-CE 4.42Å; L500-M525 HydrophobicContact CD1-CE 4.39Å; M525-T541 HydrophobicContact CB-CG2 4.38Å; M525-W555 HydrophobicContact SD-CZ2 3.73Å
526	T	95	Very high	85.8	Confident	26 Å²	26	42.9 Å²	42.9	16%	0.16	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	131.1	177.8	-55.7	0	0	0	0	110.1	P441 T541 Y542	P441-T526 HydrophobicContact CB-CG2 3.64Å; P441-T526 HydrophobicContact CG-CG2 3.81Å; T526-T541 CarbonylContact O-C 3.55Å; T526-T541 VanDerWaalsContact O-CA 3.25Å; T526-T541 WeakPolarHBondContact O-CA 3.39Å; T526-Y542 PolarHBondContact N-O 3.08Å; T526-Y542 PolarHBondContact O-N 3.1Å
527	C	95.4	Very high	87.3	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	128.5	175.8	-67.1	0	0	0	0	110.9	I442 C444 K496 L539	I442-C527 HydrophobicContact CG1-CB 4.24Å; I442-C527 VanDerWaalsContact CG1-O 3.3Å; I442-C527 WeakPolarHBondContact CG1-O 2.99Å; I442-C527 PolarHBondContact N-O 3.39Å; I442-C527 VanDerWaalsContact N-O 3.08Å; C444-C527 WeakPolarHBondContact CA-SG 3.45Å; C444-C527 HydrophobicContact CB-CB 3.99Å; C444-C527 WeakPolarHBondContact CB-SG 3.45Å; C444-C527 WeakPolarHBondContact SG-CB 3.24Å; C444-C527 CovalentContact SG-SG 2.03Å; C444-C527 PolarHBondContact SG-SG 3.16Å; K496-C527 PolarHBondContact O-N 2.69Å; C527-L539 HydrophobicContact CB-CD1 4.42Å
528	V	94.4	Very high	88.6	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	-43.9	-173.9	179.2	0	0	0	0	112.1	N384 V435 P439 I442 V540 Y542 F552	N384-V528 HydrophobicContact CB-CG1 3.63Å; N384-V528 PolarHBondContact ND2-O 2.92Å; V435-V528 HydrophobicContact CG1-CG1 3.66Å; P439-V528 HydrophobicContact CB-CB 4.27Å; P439-V528 HydrophobicContact CB-CG1 3.6Å; P439-V528 HydrophobicContact CB-CG2 3.79Å; P439-V528 HydrophobicContact CG-CG2 3.93Å; I442-V528 WeakPolarHBondContact CD1-O 3.32Å; V528-V540 HydrophobicContact CB-CB 4.34Å; V528-V540 HydrophobicContact CB-CG1 4.14Å; V528-V540 WeakPolarHBondContact CB-O 3.31Å; V528-V540 HydrophobicContact CG1-CG1 4.43Å; V528-V540 HydrophobicContact CG2-CG1 4.46Å; V528-V540 PolarHBondContact N-O 2.98Å; V528-Y542 VanDerWaalsContact CG2-CB 3.49Å; V528-F552 HydrophobicContact CG2-CD1 4.5Å; V528-F552 HydrophobicContact CG2-CE1 4.26Å
529	G	93.9	Very high	90	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.5	152	-176.3	0	0	0	0	0	111.5	I442 V540	I442-G529 VanDerWaalsContact CD1-CA 3.47Å; G529-V540 PolarHBondContact O-N 3.46Å
530	Y	94.1	Very high	91	Very high	21 Å²	21	31.4 Å²	31.4	8%	0.082	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	154.2	176.8	56.7	-92.9	0	0	0	110.6	H382 H383 I442 P445 F538 D611	H382-Y530 PolarHBondContact CD2-O 3.21Å; H382-Y530 PolarHBondContact NE2-O 3.01Å; H383-Y530 AromaticContact CE1-CE1 3.57Å; H383-Y530 AromaticContact CE1-CZ 3.64Å; I442-Y530 HydrophobicContact CD1-CD1 3.81Å; I442-Y530 HydrophobicContact CD1-CE1 3.79Å; P445-Y530 HydrophobicContact CB-CD1 3.93Å; P445-Y530 HydrophobicContact CB-CD2 4.22Å; P445-Y530 HydrophobicContact CB-CE1 4.11Å; P445-Y530 HydrophobicContact CB-CE2 4.42Å; P445-Y530 HydrophobicContact CB-CG 3.99Å; P445-Y530 HydrophobicContact CG-CD1 3.89Å; P445-Y530 HydrophobicContact CG-CE1 4.47Å; P445-Y530 HydrophobicContact CG-CG 4.03Å; Y530-F538 CarbonylContact C-O 3.53Å; Y530-F538 WeakPolarHBondContact CA-O 3.32Å; Y530-F538 WeakPolarHBondContact CB-O 3.32Å; Y530-D611 HydrophobicContact CE2-CB 4.12Å; Y530-D611 WeakPolarHBondContact CE2-OD2 3.15Å; Y530-D611 PolarHBondContact OH-OD2 2.9Å
531	W	93.6	Very high	91.8	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.015	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	159.5	175.5	68	98.5	0	0	0	110	I385 R387 Y433 E533 F538 V540	I385-W531 HydrophobicContact CD1-CE3 3.7Å; I385-W531 HydrophobicContact CD1-CH2 4.29Å; I385-W531 HydrophobicContact CD1-CZ3 3.29Å; I385-W531 HydrophobicContact CG2-CZ3 4.46Å; R387-W531 VanDerWaalsContact NH1-CD1 3.28Å; Y433-W531 AromaticContact CD1-CH2 3.96Å; Y433-W531 HydrophobicContact CD1-CH2 3.96Å; Y433-W531 AromaticContact CD1-CZ2 3.82Å; Y433-W531 HydrophobicContact CD1-CZ2 3.82Å; Y433-W531 HydrophobicContact CD2-CH2 4.09Å; Y433-W531 AromaticContact CE1-CH2 3.91Å; Y433-W531 HydrophobicContact CE1-CH2 3.91Å; Y433-W531 AromaticContact CE1-CZ2 3.93Å; Y433-W531 HydrophobicContact CE1-CZ2 3.93Å; Y433-W531 HydrophobicContact CE2-CH2 4.01Å; Y433-W531 HydrophobicContact CG-CH2 4.07Å; Y433-W531 HydrophobicContact CG-CZ2 4.26Å; Y433-W531 AromaticContact CZ-CH2 3.95Å; W531-E533 PolarHBondContact NE1-OE2 3.27Å; W531-F538 HydrophobicContact CD2-CB 3.97Å; W531-F538 HydrophobicContact CE3-CB 4.12Å; W531-F538 HydrophobicContact CH2-CB 3.88Å; W531-F538 HydrophobicContact CZ2-CB 3.73Å; W531-F538 HydrophobicContact CZ2-CD2 4.41Å; W531-F538 AromaticContact CZ2-CG 3.99Å; W531-F538 HydrophobicContact CZ2-CG 3.99Å; W531-F538 HydrophobicContact CZ3-CB 4.04Å; W531-F538 PolarHBondContact N-O 3.32Å; W531-F538 VanDerWaalsContact N-O 3.08Å; W531-F538 AromaticContact NE1-CD2 3.82Å; W531-F538 PolarHBondContact O-N 3.21Å; W531-V540 HydrophobicContact CH2-CG2 3.96Å; W531-V540 HydrophobicContact CZ3-CG2 3.79Å
532	M	91.4	Very high	92.3	Very high	46 Å²	46	28.5 Å²	28.5	23%	0.227	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	135.7	168.1	-168.5	179	-72.8	0	0	110.7	K536 S537 D612 G613 R614	M532-K536 WeakPolarHBondContact CA-O 3.26Å; M532-S537 WeakPolarHBondContact CE-OG 3.31Å; M532-D612 HydrophobicContact CE-CB 3.57Å; M532-D612 VanDerWaalsContact CE-CG 3.5Å; M532-D612 WeakPolarHBondContact CE-O 3.38Å; M532-G613 WeakPolarHBondContact CB-O 3.12Å; M532-G613 PolarHBondContact N-O 3.41Å; M532-R614 HydrophobicContact CE-CG 3.53Å; M532-R614 HydrophobicContact SD-CG 3.48Å; M532-R614 WeakPolarHBondContact SD-CG 3.42Å
533	E	89	Confident	92.7	Very high	23 Å²	23	28.3 Å²	28.3	11%	0.107	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	132.9	172.8	-179	168.9	-159.6	0	0	108.9	T430 Y431 W531 T535 K536 F538	T430-E533 WeakPolarHBondContact CA-OE1 3.42Å; Y431-E533 WeakPolarHBondContact CD2-OE1 3.39Å; Y431-E533 PolarHBondContact N-OE1 2.77Å; W531-E533 PolarHBondContact NE1-OE2 3.27Å; E533-T535 VanDerWaalsContact C-N 3.27Å; E533-T535 PolarHBondContact O-N 3.29Å; E533-T535 VanDerWaalsContact O-N 3.17Å; E533-K536 PolarHBondContact N-O 2.67Å; E533-K536 WeakPolarHBondContact O-CB 3.49Å; E533-K536 PolarHBondContact O-N 3.13Å; E533-K536 VanDerWaalsContact O-O 3.11Å; E533-F538 HydrophobicContact CB-CD2 4.26Å; E533-F538 HydrophobicContact CB-CE2 3.95Å
534	D	86.8	Confident	92.5	Very high	98 Å²	98	36.1 Å²	36.1	52%	0.524	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	44.8	-178.9	-60.3	-25.1	0	0	0	114.1	K536	D534-K536 PolarHBondContact O-N 2.75Å
535	T	88.2	Confident	92.1	Very high	134 Å²	134	36.9 Å²	36.9	82%	0.822	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.4	8.3	-177.5	71.7	0	0	0	0	115.9	E533	E533-T535 VanDerWaalsContact C-N 3.27Å; E533-T535 PolarHBondContact O-N 3.29Å; E533-T535 VanDerWaalsContact O-N 3.17Å
536	K	92.1	Very high	91.5	Very high	57 Å²	57	37.7 Å²	37.7	25%	0.248	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	131.6	175.2	-59.4	179.4	-173.5	-175.6	0	109.7	M532 E533 D534 F538 I556 K577 Q579	M532-K536 WeakPolarHBondContact CA-O 3.26Å; E533-K536 PolarHBondContact N-O 2.67Å; E533-K536 WeakPolarHBondContact O-CB 3.49Å; E533-K536 PolarHBondContact O-N 3.13Å; E533-K536 VanDerWaalsContact O-O 3.11Å; D534-K536 PolarHBondContact O-N 2.75Å; K536-F538 HydrophobicContact CB-CE2 3.8Å; K536-F538 HydrophobicContact CB-CZ 4.08Å; K536-F538 HydrophobicContact CD-CZ 4.41Å; K536-F538 WeakPolarHBondContact O-CD2 3.4Å; K536-I556 HydrophobicContact CB-CG2 4.23Å; K536-I556 HydrophobicContact CD-CD1 4.4Å; K536-K577 PolarHBondContact NZ-O 3.49Å; K536-Q579 PolarHBondContact NZ-O 2.87Å
537	S	94.5	Very high	90.4	Very high	8 Å²	8	41.7 Å²	41.7	6%	0.056	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	118	175.1	-58	0	0	0	0	109.8	M532 I556 Y557 D612	M532-S537 WeakPolarHBondContact CE-OG 3.31Å; S537-I556 VanDerWaalsContact O-CA 3.31Å; S537-I556 WeakPolarHBondContact O-CA 3.07Å; S537-Y557 WeakPolarHBondContact CB-O 3.47Å; S537-Y557 VanDerWaalsContact O-CD1 3.25Å; S537-Y557 WeakPolarHBondContact O-CD1 3.42Å; S537-Y557 PolarHBondContact O-N 3.01Å; S537-D612 WeakPolarHBondContact CB-O 3.47Å; S537-D612 PolarHBondContact OG-O 2.91Å
538	F	94.7	Very high	89.2	Confident	27 Å²	27	47 Å²	47	12%	0.118	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	140	179.1	-65.7	-88.9	0	0	0	110.4	Y530 W531 E533 K536 W555 I556 Y557 C575	Y530-F538 CarbonylContact C-O 3.53Å; Y530-F538 WeakPolarHBondContact CA-O 3.32Å; Y530-F538 WeakPolarHBondContact CB-O 3.32Å; W531-F538 HydrophobicContact CD2-CB 3.97Å; W531-F538 HydrophobicContact CE3-CB 4.12Å; W531-F538 HydrophobicContact CH2-CB 3.88Å; W531-F538 HydrophobicContact CZ2-CB 3.73Å; W531-F538 HydrophobicContact CZ2-CD2 4.41Å; W531-F538 AromaticContact CZ2-CG 3.99Å; W531-F538 HydrophobicContact CZ2-CG 3.99Å; W531-F538 HydrophobicContact CZ3-CB 4.04Å; W531-F538 PolarHBondContact N-O 3.32Å; W531-F538 VanDerWaalsContact N-O 3.08Å; W531-F538 AromaticContact NE1-CD2 3.82Å; W531-F538 PolarHBondContact O-N 3.21Å; E533-F538 HydrophobicContact CB-CD2 4.26Å; E533-F538 HydrophobicContact CB-CE2 3.95Å; K536-F538 HydrophobicContact CB-CE2 3.8Å; K536-F538 HydrophobicContact CB-CZ 4.08Å; K536-F538 HydrophobicContact CD-CZ 4.41Å; K536-F538 WeakPolarHBondContact O-CD2 3.4Å; F538-W555 CarbonylContact C-O 3.41Å; F538-W555 WeakPolarHBondContact CA-O 3.32Å; F538-I556 HydrophobicContact CD1-CD1 4.29Å; F538-I556 HydrophobicContact CD1-CG1 3.88Å; F538-I556 HydrophobicContact CE1-CD1 3.67Å; F538-I556 HydrophobicContact CE1-CG1 3.78Å; F538-I556 HydrophobicContact CZ-CD1 4.22Å; F538-Y557 WeakPolarHBondContact O-CE1 3.5Å; F538-C575 HydrophobicContact CD1-CB 3.98Å; F538-C575 HydrophobicContact CE1-CB 3.74Å
539	L	94.7	Very high	88	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	128.8	173.1	168	66	0	0	0	108.6	P445 C527 T541 W555 Y557 M567	P445-L539 HydrophobicContact CG-CD1 3.92Å; P445-L539 HydrophobicContact CG-CD2 4.13Å; P445-L539 HydrophobicContact CG-CG 4.43Å; C527-L539 HydrophobicContact CB-CD1 4.42Å; L539-T541 HydrophobicContact CD2-CG2 4.13Å; L539-T541 HydrophobicContact CG-CG2 4.07Å; L539-W555 HydrophobicContact CB-CB 4.2Å; L539-W555 PolarHBondContact N-O 2.69Å; L539-W555 WeakPolarHBondContact O-CB 3.47Å; L539-W555 PolarHBondContact O-N 2.97Å; L539-Y557 HydrophobicContact CB-CD1 3.6Å; L539-Y557 HydrophobicContact CB-CE1 3.63Å; L539-M567 HydrophobicContact CD2-CE 3.64Å
540	V	94.9	Very high	87.3	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	129.1	171.9	178.1	0	0	0	0	108.6	I385 Y433 V435 V528 G529 W531 F552 R553	I385-V540 HydrophobicContact CD1-CB 4.36Å; I385-V540 HydrophobicContact CD1-CG2 4.11Å; Y433-V540 HydrophobicContact CE2-CG2 4.04Å; V435-V540 HydrophobicContact CG1-CG1 4.16Å; V435-V540 HydrophobicContact CG2-CG1 4.27Å; V528-V540 HydrophobicContact CB-CB 4.34Å; V528-V540 HydrophobicContact CB-CG1 4.14Å; V528-V540 WeakPolarHBondContact CB-O 3.31Å; V528-V540 HydrophobicContact CG1-CG1 4.43Å; V528-V540 HydrophobicContact CG2-CG1 4.46Å; V528-V540 PolarHBondContact N-O 2.98Å; G529-V540 PolarHBondContact O-N 3.46Å; W531-V540 HydrophobicContact CH2-CG2 3.96Å; W531-V540 HydrophobicContact CZ3-CG2 3.79Å; V540-F552 HydrophobicContact CG1-CD1 4.12Å; V540-R553 WeakPolarHBondContact CA-O 3.17Å
541	T	94.6	Very high	87.1	Confident	3 Å²	3	50.9 Å²	50.9	2%	0.018	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	149.8	176.4	59.3	0	0	0	0	110.7	M525 T526 L539 F552 R553 W555	M525-T541 HydrophobicContact CB-CG2 4.38Å; T526-T541 CarbonylContact O-C 3.55Å; T526-T541 VanDerWaalsContact O-CA 3.25Å; T526-T541 WeakPolarHBondContact O-CA 3.39Å; L539-T541 HydrophobicContact CD2-CG2 4.13Å; L539-T541 HydrophobicContact CG-CG2 4.07Å; T541-F552 WeakPolarHBondContact O-CA 3.32Å; T541-R553 PolarHBondContact N-O 2.92Å; T541-R553 PolarHBondContact O-N 2.99Å; T541-R553 PolarHBondContact OG1-O 3.12Å; T541-W555 PolarHBondContact OG1-NE1 2.85Å
542	Y	94	Very high	87	Confident	28 Å²	28	50.8 Å²	50.8	11%	0.11	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	123.3	175.8	-179.7	-103.2	0	0	0	110.4	P439 T526 V528 K544 N551 F552	P439-Y542 HydrophobicContact CG-CD1 3.86Å; P439-Y542 HydrophobicContact CG-CD2 3.73Å; P439-Y542 HydrophobicContact CG-CE1 4.38Å; P439-Y542 HydrophobicContact CG-CE2 4.24Å; P439-Y542 HydrophobicContact CG-CG 3.5Å; T526-Y542 PolarHBondContact N-O 3.08Å; T526-Y542 PolarHBondContact O-N 3.1Å; V528-Y542 VanDerWaalsContact CG2-CB 3.49Å; Y542-K544 HydrophobicContact CD1-CG 4.23Å; Y542-K544 HydrophobicContact CE1-CD 4.39Å; Y542-K544 HydrophobicContact CE1-CG 3.45Å; Y542-K544 VanDerWaalsContact CE1-CG 3.45Å; Y542-N551 CarbonylContact C-O 3.54Å; Y542-N551 VanDerWaalsContact CA-O 3.26Å; Y542-N551 WeakPolarHBondContact CA-O 3.22Å; Y542-N551 HydrophobicContact CD2-CB 3.75Å; Y542-N551 VanDerWaalsContact CD2-O 3.3Å; Y542-N551 WeakPolarHBondContact CD2-O 3.32Å; Y542-N551 HydrophobicContact CE2-CB 3.3Å; Y542-N551 PolarHBondContact OH-ND2 3.09Å; Y542-F552 AromaticContact CD2-CD1 3.83Å; Y542-F552 HydrophobicContact CD2-CD1 3.83Å; Y542-F552 HydrophobicContact CD2-CD2 4.33Å; Y542-F552 AromaticContact CD2-CE1 3.5Å; Y542-F552 HydrophobicContact CD2-CE1 3.5Å; Y542-F552 HydrophobicContact CD2-CE2 4.05Å; Y542-F552 HydrophobicContact CD2-CG 4.24Å; Y542-F552 AromaticContact CD2-CZ 3.64Å; Y542-F552 HydrophobicContact CD2-CZ 3.64Å; Y542-F552 HydrophobicContact CE2-CE1 4.3Å; Y542-F552 HydrophobicContact CE2-CE2 4.13Å; Y542-F552 AromaticContact CE2-CZ 3.96Å; Y542-F552 HydrophobicContact CE2-CZ 3.96Å; Y542-F552 HydrophobicContact CG-CE1 4.26Å
543	D	91.1	Very high	87.1	Confident	16 Å²	16	49.2 Å²	49.2	9%	0.086	26%	0.26	C	S	.	.			trans	-123.2	117.3	176	-178.5	-4.1	0	0	0	108.6	E545 D546 N551	D543-E545 PolarHBondContact O-N 3.34Å; D543-E545 PolarHBondContact OD1-N 3.12Å; D543-D546 HydrophobicContact CB-CB 4.2Å; D543-D546 PolarHBondContact O-N 3.35Å; D543-N551 PolarHBondContact N-O 2.94Å; D543-N551 WeakPolarHBondContact O-CA 3.47Å; D543-N551 WeakPolarHBondContact O-CB 3.15Å
544	K	85.6	Confident	87.3	Confident	165 Å²	165	48.1 Å²	48.1	72%	0.717	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-20.2	-177.5	-68.7	178.7	-177.5	175.5	0	113.1	Y542	Y542-K544 HydrophobicContact CD1-CG 4.23Å; Y542-K544 HydrophobicContact CE1-CD 4.39Å; Y542-K544 HydrophobicContact CE1-CG 3.45Å; Y542-K544 VanDerWaalsContact CE1-CG 3.45Å
545	E	82.7	Confident	87.7	Confident	116 Å²	116	43.5 Å²	43.5	54%	0.542	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-0	-175.1	-60.4	-172.1	166.6	0	0	113.2	K465 D543 P547	K465-E545 IonicContact NZ-OE2 3.29Å; K465-E545 PolarHBondContact NZ-OE2 2.85Å; D543-E545 PolarHBondContact O-N 3.34Å; D543-E545 PolarHBondContact OD1-N 3.12Å; E545-P547 WeakPolarHBondContact O-CD 3.32Å
546	D	81.4	Confident	88.1	Confident	18 Å²	18	37.2 Å²	37.2	10%	0.096	19%	0.191	C	C	.	.			trans	-91.8	99.5	-177.8	-174.8	0.6	0	0	0	112.3	D543 V548 S549 N551 R553	D543-D546 HydrophobicContact CB-CB 4.2Å; D543-D546 PolarHBondContact O-N 3.35Å; D546-V548 VanDerWaalsContact C-N 3.29Å; D546-V548 PolarHBondContact O-N 3.34Å; D546-V548 WeakPolarHBondContact OD1-CB 3.37Å; D546-V548 PolarHBondContact OD1-N 2.95Å; D546-S549 WeakPolarHBondContact OD2-CB 3.03Å; D546-S549 PolarHBondContact OD2-OG 3.01Å; D546-N551 PolarHBondContact O-N 3.11Å; D546-N551 PolarHBondContact O-OD1 3.4Å; D546-R553 IonicContact OD1-NH2 2.66Å; D546-R553 PolarHBondContact OD1-NH2 3.34Å; D546-R553 IonicContact OD2-CZ 3.83Å; D546-R553 VanDerWaalsContact OD2-CZ 3.24Å; D546-R553 IonicContact OD2-NE 3.04Å; D546-R553 PolarHBondContact OD2-NE 3.32Å; D546-R553 IonicContact OD2-NH2 3.61Å; D546-R553 PolarHBondContact OD2-NH2 3.34Å
547	P	71	Confident	88.3	Confident	111 Å²	111	34.7 Å²	34.7	72%	0.721	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-21.2	-179.1	32.7	-37.9	0	0	0	113	E545	E545-P547 WeakPolarHBondContact O-CD 3.32Å
548	V	70.7	Confident	88.4	Confident	112 Å²	112	38.8 Å²	38.8	68%	0.679	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-34.7	-170	-177.6	0	0	0	0	110.7	D546	D546-V548 VanDerWaalsContact C-N 3.29Å; D546-V548 PolarHBondContact O-N 3.34Å; D546-V548 WeakPolarHBondContact OD1-CB 3.37Å; D546-V548 PolarHBondContact OD1-N 2.95Å
549	S	69.7	Low	88.3	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.007	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	20.8	-168.9	73.5	0	0	0	0	114.3	D546 N551 F552 R553 N573	D546-S549 WeakPolarHBondContact OD2-CB 3.03Å; D546-S549 PolarHBondContact OD2-OG 3.01Å; S549-N551 PolarHBondContact O-N 2.77Å; S549-N551 VanDerWaalsContact O-N 3.1Å; S549-F552 VanDerWaalsContact CB-O 3.28Å; S549-F552 WeakPolarHBondContact CB-O 3.41Å; S549-F552 PolarHBondContact O-N 2.86Å; S549-F552 PolarHBondContact OG-N 3.17Å; S549-F552 PolarHBondContact OG-O 3.01Å; S549-R553 PolarHBondContact OG-NE 3.12Å; S549-N573 VanDerWaalsContact C-OD1 3.29Å; S549-N573 WeakPolarHBondContact CA-OD1 3.44Å; S549-N573 WeakPolarHBondContact CB-OD1 3.16Å; S549-N573 PolarHBondContact O-ND2 3.29Å; S549-N573 PolarHBondContact O-OD1 2.88Å
550	N	79.5	Confident	88.3	Confident	58 Å²	58	46 Å²	46	31%	0.31	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	40.8	-172.9	-160.8	59.7	0	0	0	111.5	F317 F552	F317-N550 WeakPolarHBondContact CD2-ND2 3.39Å; F317-N550 HydrophobicContact CE2-CB 4.33Å; F317-N550 WeakPolarHBondContact CE2-ND2 3.41Å; F317-N550 HydrophobicContact CZ-CB 4.39Å; N550-F552 VanDerWaalsContact C-N 3.28Å; N550-F552 VanDerWaalsContact O-CD2 3.31Å; N550-F552 WeakPolarHBondContact O-CD2 3.36Å; N550-F552 PolarHBondContact O-N 2.82Å
551	N	88.6	Confident	88.2	Confident	43 Å²	43	49 Å²	49	23%	0.23	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	0.4	-179.2	-48.3	-21.4	0	0	0	117.5	Y542 D543 D546 S549	Y542-N551 CarbonylContact C-O 3.54Å; Y542-N551 VanDerWaalsContact CA-O 3.26Å; Y542-N551 WeakPolarHBondContact CA-O 3.22Å; Y542-N551 HydrophobicContact CD2-CB 3.75Å; Y542-N551 VanDerWaalsContact CD2-O 3.3Å; Y542-N551 WeakPolarHBondContact CD2-O 3.32Å; Y542-N551 HydrophobicContact CE2-CB 3.3Å; Y542-N551 PolarHBondContact OH-ND2 3.09Å; D543-N551 PolarHBondContact N-O 2.94Å; D543-N551 WeakPolarHBondContact O-CA 3.47Å; D543-N551 WeakPolarHBondContact O-CB 3.15Å; D546-N551 PolarHBondContact O-N 3.11Å; D546-N551 PolarHBondContact O-OD1 3.4Å; S549-N551 PolarHBondContact O-N 2.77Å; S549-N551 VanDerWaalsContact O-N 3.1Å
552	F	92.6	Very high	87.9	Confident	1 Å²	1	56.8 Å²	56.8	0%	0.004	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	130.4	-178.3	-68.4	-80.2	0	0	0	112.7	F317 V435 Q436 D437 P439 V528 V540 T541 Y542 S549 N550 N573	F317-F552 HydrophobicContact CB-CD2 4.49Å; F317-F552 HydrophobicContact CB-CE2 4.12Å; F317-F552 AromaticContact CD1-CD2 3.73Å; F317-F552 HydrophobicContact CD1-CD2 3.73Å; F317-F552 HydrophobicContact CD1-CE2 4.2Å; F317-F552 HydrophobicContact CD1-CG 4.37Å; F317-F552 HydrophobicContact CE1-CD2 4.33Å; F317-F552 HydrophobicContact CG-CD2 4.2Å; F317-F552 HydrophobicContact CG-CE2 4.29Å; V435-F552 HydrophobicContact CB-CE1 4.37Å; V435-F552 HydrophobicContact CG1-CD1 3.74Å; V435-F552 HydrophobicContact CG1-CE1 3.36Å; V435-F552 HydrophobicContact CG1-CZ 3.92Å; Q436-F552 WeakPolarHBondContact O-CZ 3.47Å; D437-F552 HydrophobicContact CB-CE2 4.31Å; D437-F552 HydrophobicContact CB-CZ 4.33Å; P439-F552 HydrophobicContact CB-CE1 4.22Å; P439-F552 HydrophobicContact CG-CE1 3.88Å; P439-F552 HydrophobicContact CG-CZ 4.14Å; V528-F552 HydrophobicContact CG2-CD1 4.5Å; V528-F552 HydrophobicContact CG2-CE1 4.26Å; V540-F552 HydrophobicContact CG1-CD1 4.12Å; T541-F552 WeakPolarHBondContact O-CA 3.32Å; Y542-F552 AromaticContact CD2-CD1 3.83Å; Y542-F552 HydrophobicContact CD2-CD1 3.83Å; Y542-F552 HydrophobicContact CD2-CD2 4.33Å; Y542-F552 AromaticContact CD2-CE1 3.5Å; Y542-F552 HydrophobicContact CD2-CE1 3.5Å; Y542-F552 HydrophobicContact CD2-CE2 4.05Å; Y542-F552 HydrophobicContact CD2-CG 4.24Å; Y542-F552 AromaticContact CD2-CZ 3.64Å; Y542-F552 HydrophobicContact CD2-CZ 3.64Å; Y542-F552 HydrophobicContact CE2-CE1 4.3Å; Y542-F552 HydrophobicContact CE2-CE2 4.13Å; Y542-F552 AromaticContact CE2-CZ 3.96Å; Y542-F552 HydrophobicContact CE2-CZ 3.96Å; Y542-F552 HydrophobicContact CG-CE1 4.26Å; S549-F552 VanDerWaalsContact CB-O 3.28Å; S549-F552 WeakPolarHBondContact CB-O 3.41Å; S549-F552 PolarHBondContact O-N 2.86Å; S549-F552 PolarHBondContact OG-N 3.17Å; S549-F552 PolarHBondContact OG-O 3.01Å; N550-F552 VanDerWaalsContact C-N 3.28Å; N550-F552 VanDerWaalsContact O-CD2 3.31Å; N550-F552 WeakPolarHBondContact O-CD2 3.36Å; N550-F552 PolarHBondContact O-N 2.82Å; F552-N573 WeakPolarHBondContact O-CA 3.29Å
553	R	92.4	Very high	87.8	Confident	14 Å²	14	63.2 Å²	63.2	5%	0.053	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	144.3	173	-68.2	-71.3	-174	146.4	1.1	111.1	E460 V540 T541 D546 S549 R569	E460-R553 IonicContact OE2-CZ 2.89Å; E460-R553 IonicContact OE2-NH1 2.91Å; E460-R553 PolarHBondContact OE2-NH1 3.34Å; E460-R553 IonicContact OE2-NH2 2.76Å; V540-R553 WeakPolarHBondContact CA-O 3.17Å; T541-R553 PolarHBondContact N-O 2.92Å; T541-R553 PolarHBondContact O-N 2.99Å; T541-R553 PolarHBondContact OG1-O 3.12Å; D546-R553 IonicContact OD1-NH2 2.66Å; D546-R553 PolarHBondContact OD1-NH2 3.34Å; D546-R553 IonicContact OD2-CZ 3.83Å; D546-R553 VanDerWaalsContact OD2-CZ 3.24Å; D546-R553 IonicContact OD2-NE 3.04Å; D546-R553 PolarHBondContact OD2-NE 3.32Å; D546-R553 IonicContact OD2-NH2 3.61Å; D546-R553 PolarHBondContact OD2-NH2 3.34Å; S549-R553 PolarHBondContact OG-NE 3.12Å; R553-R569 HydrophobicContact CB-CG 4.41Å
554	C	94.2	Very high	87.9	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	136.9	175	-174.7	0	0	0	0	110.7	G570 N573 C575	C554-G570 PolarHBondContact O-N 2.76Å; C554-N573 WeakPolarHBondContact CB-O 3.37Å; C554-C575 HydrophobicContact CB-CB 4.05Å; C554-C575 WeakPolarHBondContact CB-SG 3.4Å; C554-C575 WeakPolarHBondContact SG-CB 3.47Å; C554-C575 PolarHBondContact SG-N 2.98Å; C554-C575 CovalentContact SG-SG 2.03Å; C554-C575 PolarHBondContact SG-SG 2.96Å
555	W	95.5	Very high	88.4	Confident	1 Å²	1	56.6 Å²	56.6	0%	0.004	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.6	-179.8	-60.3	85.1	0	0	0	111	Y462 M525 F538 L539 T541 M567 S568 R569 L592 L594	Y462-W555 HydrophobicContact CE2-CH2 4.12Å; Y462-W555 HydrophobicContact CE2-CZ2 4.49Å; M525-W555 HydrophobicContact SD-CZ2 3.73Å; F538-W555 CarbonylContact C-O 3.41Å; F538-W555 WeakPolarHBondContact CA-O 3.32Å; L539-W555 HydrophobicContact CB-CB 4.2Å; L539-W555 PolarHBondContact N-O 2.69Å; L539-W555 WeakPolarHBondContact O-CB 3.47Å; L539-W555 PolarHBondContact O-N 2.97Å; T541-W555 PolarHBondContact OG1-NE1 2.85Å; W555-M567 HydrophobicContact CB-CE 4.32Å; W555-M567 HydrophobicContact CD2-CE 4.31Å; W555-M567 HydrophobicContact CE3-CB 3.96Å; W555-M567 HydrophobicContact CE3-CE 4.33Å; W555-M567 HydrophobicContact CG-CE 4.33Å; W555-M567 HydrophobicContact CZ3-CB 4.34Å; W555-S568 CarbonylContact C-O 3.59Å; W555-S568 WeakPolarHBondContact CA-O 3.4Å; W555-R569 HydrophobicContact CD2-CB 4.05Å; W555-R569 HydrophobicContact CD2-CG 4.09Å; W555-R569 HydrophobicContact CE3-CB 3.69Å; W555-R569 HydrophobicContact CE3-CG 4.24Å; W555-R569 HydrophobicContact CH2-CB 3.79Å; W555-R569 HydrophobicContact CH2-CG 4.03Å; W555-R569 HydrophobicContact CZ2-CB 4.13Å; W555-R569 VanDerWaalsContact CZ2-CD 3.47Å; W555-R569 HydrophobicContact CZ2-CG 3.85Å; W555-R569 HydrophobicContact CZ3-CB 3.57Å; W555-R569 HydrophobicContact CZ3-CG 4.22Å; W555-L592 HydrophobicContact CH2-CD2 4.19Å; W555-L594 HydrophobicContact CH2-CD1 3.85Å; W555-L594 HydrophobicContact CH2-CG 4.37Å; W555-L594 HydrophobicContact CZ3-CD1 3.85Å; W555-L594 HydrophobicContact CZ3-CG 4.07Å
556	I	96.3	Very high	89.1	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	122.4	165.8	-55.9	-175.7	0	0	0	107.4	K536 S537 F538 M567 S568 C575 Q579 A581	K536-I556 HydrophobicContact CB-CG2 4.23Å; K536-I556 HydrophobicContact CD-CD1 4.4Å; S537-I556 VanDerWaalsContact O-CA 3.31Å; S537-I556 WeakPolarHBondContact O-CA 3.07Å; F538-I556 HydrophobicContact CD1-CD1 4.29Å; F538-I556 HydrophobicContact CD1-CG1 3.88Å; F538-I556 HydrophobicContact CE1-CD1 3.67Å; F538-I556 HydrophobicContact CE1-CG1 3.78Å; F538-I556 HydrophobicContact CZ-CD1 4.22Å; I556-M567 WeakPolarHBondContact O-CA 3.18Å; I556-S568 PolarHBondContact N-O 2.97Å; I556-S568 PolarHBondContact O-N 2.89Å; I556-C575 HydrophobicContact CD1-CB 4.23Å; I556-C575 HydrophobicContact CG1-CB 4.21Å; I556-Q579 HydrophobicContact CD1-CB 3.76Å; I556-Q579 HydrophobicContact CD1-CG 3.78Å; I556-Q579 WeakPolarHBondContact CD1-O 3.49Å; I556-Q579 HydrophobicContact CG1-CG 4.42Å; I556-A581 HydrophobicContact CG2-CB 4.11Å
557	Y	96.1	Very high	89.7	Confident	3 Å²	3	50.8 Å²	50.8	1%	0.012	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	147.6	-173.7	68	-77.9	0	0	0	111.8	P445 I446 S537 F538 L539 L566 W610 D611	P445-Y557 HydrophobicContact CB-CE2 3.94Å; P445-Y557 WeakPolarHBondContact CB-OH 3.48Å; P445-Y557 HydrophobicContact CG-CE1 4.14Å; P445-Y557 HydrophobicContact CG-CE2 4Å; I446-Y557 HydrophobicContact CD1-CD2 3.67Å; I446-Y557 HydrophobicContact CD1-CG 4.02Å; I446-Y557 HydrophobicContact CG1-CD2 3.94Å; I446-Y557 HydrophobicContact CG1-CE2 4.38Å; S537-Y557 WeakPolarHBondContact CB-O 3.47Å; S537-Y557 VanDerWaalsContact O-CD1 3.25Å; S537-Y557 WeakPolarHBondContact O-CD1 3.42Å; S537-Y557 PolarHBondContact O-N 3.01Å; F538-Y557 WeakPolarHBondContact O-CE1 3.5Å; L539-Y557 HydrophobicContact CB-CD1 3.6Å; L539-Y557 HydrophobicContact CB-CE1 3.63Å; Y557-L566 CarbonylContact C-O 3.58Å; Y557-L566 WeakPolarHBondContact CA-O 3.3Å; Y557-W610 HydrophobicContact CD2-CE3 4.38Å; Y557-W610 AromaticContact CD2-CH2 3.16Å; Y557-W610 HydrophobicContact CD2-CH2 3.16Å; Y557-W610 HydrophobicContact CD2-CZ2 4.05Å; Y557-W610 AromaticContact CD2-CZ3 3.37Å; Y557-W610 HydrophobicContact CD2-CZ3 3.37Å; Y557-W610 HydrophobicContact CE2-CE3 4.41Å; Y557-W610 AromaticContact CE2-CH2 3.48Å; Y557-W610 HydrophobicContact CE2-CH2 3.48Å; Y557-W610 VanDerWaalsContact CE2-CH2 3.48Å; Y557-W610 AromaticContact CE2-CZ2 3.93Å; Y557-W610 HydrophobicContact CE2-CZ2 3.93Å; Y557-W610 AromaticContact CE2-CZ3 3.76Å; Y557-W610 HydrophobicContact CE2-CZ3 3.76Å; Y557-W610 HydrophobicContact CG-CH2 4.3Å; Y557-D611 VanDerWaalsContact CE2-O 3.27Å; Y557-D611 WeakPolarHBondContact CE2-O 3.29Å; Y557-D611 PolarHBondContact OH-O 2.91Å; Y557-D611 VanDerWaalsContact OH-O 3.04Å
558	K	95.3	Very high	91	Very high	94 Å²	94	45.5 Å²	45.5	41%	0.409	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	138.3	-177.3	-178.9	-178.6	171.8	-167.3	0	110	L560 Y565 L566 A581 E582	K558-L560 HydrophobicContact CD-CD2 4.46Å; K558-Y565 WeakPolarHBondContact O-CA 3.3Å; K558-L566 PolarHBondContact N-O 3.23Å; K558-L566 PolarHBondContact O-N 2.95Å; K558-A581 HydrophobicContact CB-CB 3.4Å; K558-A581 HydrophobicContact CD-CB 4.23Å; K558-A581 HydrophobicContact CG-CB 4.48Å; K558-E582 IonicContact NZ-OE1 3.16Å; K558-E582 PolarHBondContact NZ-OE1 2.87Å; K558-E582 VanDerWaalsContact NZ-OE1 3.16Å
559	R	94.3	Very high	92.1	Very high	93 Å²	93	40.7 Å²	40.7	35%	0.351	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	122.4	169.6	-174.1	175.9	-169.3	178.6	7.7	109.5	S561 F562 Y565 W610	R559-S561 WeakPolarHBondContact CG-O 3.45Å; R559-S561 PolarHBondContact NE-O 3.01Å; R559-F562 PolarHBondContact NH2-O 2.94Å; R559-Y565 HydrophobicContact CB-CD1 3.77Å; R559-Y565 HydrophobicContact CB-CE1 3.83Å; R559-Y565 HydrophobicContact CG-CD1 3.78Å; R559-Y565 HydrophobicContact CG-CE1 3.48Å; R559-Y565 VanDerWaalsContact CG-CE1 3.48Å; R559-Y565 PolarHBondContact NE-OH 2.81Å; R559-W610 HydrophobicContact CB-CD2 4.16Å; R559-W610 HydrophobicContact CB-CE3 4.31Å; R559-W610 HydrophobicContact CB-CH2 3.94Å; R559-W610 HydrophobicContact CB-CZ2 3.85Å; R559-W610 HydrophobicContact CB-CZ3 4.17Å; R559-W610 VanDerWaalsContact N-CH2 3.3Å
560	L	93	Very high	93.2	Very high	87 Å²	87	40.6 Å²	40.6	46%	0.455	19%	0.189	S	C	.	.			trans	-90.4	-43.7	177.7	-71	-177.8	0	0	0	112.1	K558 T564 L566	K558-L560 HydrophobicContact CD-CD2 4.46Å; L560-T564 PolarHBondContact N-O 2.73Å; L560-L566 HydrophobicContact CD1-CD1 3.62Å; L560-L566 HydrophobicContact CD1-CD2 4.07Å; L560-L566 HydrophobicContact CD1-CG 3.58Å; L560-L566 HydrophobicContact CD2-CD1 4.05Å; L560-L566 HydrophobicContact CD2-CG 4.5Å; L560-L566 HydrophobicContact CG-CD1 3.94Å; L560-L566 HydrophobicContact CG-CG 3.89Å
561	S	92.8	Very high	93.6	Very high	63 Å²	63	47 Å²	47	44%	0.441	21%	0.209	S	C	.	.	S	Bend	trans	-137.4	-177.3	-179.4	-172.2	0	0	0	0	109.9	R559 R563 T564	R559-S561 WeakPolarHBondContact CG-O 3.45Å; R559-S561 PolarHBondContact NE-O 3.01Å; S561-R563 PolarHBondContact O-N 2.98Å; S561-T564 WeakPolarHBondContact CB-OG1 3.41Å; S561-T564 PolarHBondContact N-O 2.76Å; S561-T564 PolarHBondContact N-OG1 2.76Å
562	F	88.9	Confident	93.6	Very high	167 Å²	167	46.1 Å²	46.1	73%	0.732	21%	0.21	S	C	*	.	S	Bend	trans	-58.7	-30.7	173.7	-68.6	-71.7	0	0	0	112.6	R559	R559-F562 PolarHBondContact NH2-O 2.94Å
563	R	91.5	Very high	93.4	Very high	163 Å²	163	47.3 Å²	47.3	62%	0.615	22%	0.217	S	C	*	.	S	Bend	trans	-117.8	-2.4	-173.1	-53.9	-164.4	161.9	169.9	0.5	115.2	S561 E598	S561-R563 PolarHBondContact O-N 2.98Å; R563-E598 HydrophobicContact CB-CB 3.98Å; R563-E598 WeakPolarHBondContact CD-OE2 3.26Å; R563-E598 WeakPolarHBondContact CG-OE2 3.38Å; R563-E598 IonicContact CZ-OE2 3.95Å; R563-E598 IonicContact NE-OE2 3.07Å; R563-E598 PolarHBondContact NE-OE2 3.01Å; R563-E598 VanDerWaalsContact NE-OE2 3.07Å; R563-E598 PolarHBondContact O-N 2.68Å
564	T	94.7	Very high	93.3	Very high	39 Å²	39	50 Å²	50	24%	0.239	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	136	-172	63.4	0	0	0	0	112	L560 S561 L596 T597	L560-T564 PolarHBondContact N-O 2.73Å; S561-T564 WeakPolarHBondContact CB-OG1 3.41Å; S561-T564 PolarHBondContact N-O 2.76Å; S561-T564 PolarHBondContact N-OG1 2.76Å; T564-L596 VanDerWaalsContact CA-O 3.26Å; T564-L596 WeakPolarHBondContact CA-O 3.43Å; T564-T597 HydrophobicContact CG2-CG2 4.1Å
565	Y	95.3	Very high	93.1	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.008	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	151.7	-175.7	-53.2	-98.5	0	0	0	109.9	F450 K558 R559 L596 M608 W610	F450-Y565 HydrophobicContact CD1-CD2 4.14Å; F450-Y565 HydrophobicContact CD1-CE2 4.33Å; F450-Y565 AromaticContact CE1-CD2 3.65Å; F450-Y565 HydrophobicContact CE1-CD2 3.65Å; F450-Y565 AromaticContact CE1-CE2 3.47Å; F450-Y565 HydrophobicContact CE1-CE2 3.47Å; F450-Y565 VanDerWaalsContact CE1-CE2 3.47Å; F450-Y565 HydrophobicContact CZ-CD2 4.28Å; F450-Y565 HydrophobicContact CZ-CE2 4.06Å; K558-Y565 WeakPolarHBondContact O-CA 3.3Å; R559-Y565 HydrophobicContact CB-CD1 3.77Å; R559-Y565 HydrophobicContact CB-CE1 3.83Å; R559-Y565 HydrophobicContact CG-CD1 3.78Å; R559-Y565 HydrophobicContact CG-CE1 3.48Å; R559-Y565 VanDerWaalsContact CG-CE1 3.48Å; R559-Y565 PolarHBondContact NE-OH 2.81Å; Y565-L596 PolarHBondContact N-O 2.85Å; Y565-L596 PolarHBondContact O-N 3.33Å; Y565-M608 HydrophobicContact CE2-CE 3.37Å; Y565-M608 WeakPolarHBondContact OH-CE 3.37Å; Y565-W610 HydrophobicContact CD1-CD2 4.38Å; Y565-W610 AromaticContact CD1-CE3 3.46Å; Y565-W610 HydrophobicContact CD1-CE3 3.46Å; Y565-W610 VanDerWaalsContact CD1-CE3 3.46Å; Y565-W610 HydrophobicContact CD1-CH2 4.37Å; Y565-W610 AromaticContact CD1-CZ3 3.42Å; Y565-W610 HydrophobicContact CD1-CZ3 3.42Å; Y565-W610 VanDerWaalsContact CD1-CZ3 3.42Å; Y565-W610 HydrophobicContact CE1-CB 4.48Å; Y565-W610 AromaticContact CE1-CD2 3.94Å; Y565-W610 HydrophobicContact CE1-CD2 3.94Å; Y565-W610 AromaticContact CE1-CE3 3.32Å; Y565-W610 HydrophobicContact CE1-CE3 3.32Å; Y565-W610 HydrophobicContact CE1-CG 4.41Å; Y565-W610 AromaticContact CE1-CZ3 3.83Å; Y565-W610 HydrophobicContact CE1-CZ3 3.83Å
566	L	96.5	Very high	92.8	Very high	11 Å²	11	52.4 Å²	52.4	6%	0.058	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	141	172.1	-64.8	-177.8	0	0	0	109.5	Y557 K558 L560 A581 E582 L593 L594 E595	Y557-L566 CarbonylContact C-O 3.58Å; Y557-L566 WeakPolarHBondContact CA-O 3.3Å; K558-L566 PolarHBondContact N-O 3.23Å; K558-L566 PolarHBondContact O-N 2.95Å; L560-L566 HydrophobicContact CD1-CD1 3.62Å; L560-L566 HydrophobicContact CD1-CD2 4.07Å; L560-L566 HydrophobicContact CD1-CG 3.58Å; L560-L566 HydrophobicContact CD2-CD1 4.05Å; L560-L566 HydrophobicContact CD2-CG 4.5Å; L560-L566 HydrophobicContact CG-CD1 3.94Å; L560-L566 HydrophobicContact CG-CG 3.89Å; L566-A581 WeakPolarHBondContact CB-O 3.38Å; L566-E582 HydrophobicContact CD1-CB 4.34Å; L566-E582 HydrophobicContact CD1-CG 3.33Å; L566-L593 HydrophobicContact CB-CD1 4.34Å; L566-L593 HydrophobicContact CD2-CD1 4.44Å; L566-L594 WeakPolarHBondContact CA-O 3.34Å; L566-E595 HydrophobicContact CD2-CB 3.83Å; L566-E595 HydrophobicContact CD2-CG 3.85Å
567	M	95.6	Very high	92.3	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	115.8	171.2	-59.7	-176.1	64.8	0	0	110.1	I446 L539 W555 I556 L594 L596	I446-M567 HydrophobicContact CD1-CE 3.98Å; I446-M567 HydrophobicContact CD1-CG 3.69Å; I446-M567 HydrophobicContact CD1-SD 3.32Å; I446-M567 WeakPolarHBondContact CD1-SD 3.41Å; L539-M567 HydrophobicContact CD2-CE 3.64Å; W555-M567 HydrophobicContact CB-CE 4.32Å; W555-M567 HydrophobicContact CD2-CE 4.31Å; W555-M567 HydrophobicContact CE3-CB 3.96Å; W555-M567 HydrophobicContact CE3-CE 4.33Å; W555-M567 HydrophobicContact CG-CE 4.33Å; W555-M567 HydrophobicContact CZ3-CB 4.34Å; I556-M567 WeakPolarHBondContact O-CA 3.18Å; M567-L594 HydrophobicContact CB-CB 4.4Å; M567-L594 PolarHBondContact N-O 3.38Å; M567-L594 PolarHBondContact O-N 3.38Å; M567-L596 HydrophobicContact CG-CD1 4.2Å; M567-L596 HydrophobicContact SD-CD1 3.86Å
568	S	96.7	Very high	92.1	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	129.7	176.8	176.2	0	0	0	0	110.4	W555 I556 Q579 T580 S583 A590 L592	W555-S568 CarbonylContact C-O 3.59Å; W555-S568 WeakPolarHBondContact CA-O 3.4Å; I556-S568 PolarHBondContact N-O 2.97Å; I556-S568 PolarHBondContact O-N 2.89Å; S568-Q579 PolarHBondContact O-NE2 2.76Å; S568-Q579 PolarHBondContact OG-NE2 3.35Å; S568-T580 WeakPolarHBondContact CB-O 3.45Å; S568-T580 PolarHBondContact OG-O 2.95Å; S568-S583 VanDerWaalsContact CB-O 3.29Å; S568-S583 WeakPolarHBondContact CB-O 3.38Å; S568-S583 PolarHBondContact OG-O 2.68Å; S568-A590 WeakPolarHBondContact OG-CB 3.49Å; S568-L592 CarbonylContact C-O 3.46Å; S568-L592 WeakPolarHBondContact CA-O 3.32Å
569	R	94.4	Very high	92	Very high	11 Å²	11	56.7 Å²	56.7	4%	0.042	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	136.5	176.2	-162.4	172.2	70.6	-166.2	0.9	110.9	E460 Y462 R553 W555 Q579 A590 S591 L592	E460-R569 PolarHBondContact O-NH2 2.96Å; E460-R569 IonicContact OE2-CZ 3.38Å; E460-R569 IonicContact OE2-NE 2.76Å; E460-R569 IonicContact OE2-NH2 3.49Å; E460-R569 PolarHBondContact OE2-NH2 3.16Å; Y462-R569 PolarHBondContact OH-NH1 3.28Å; R553-R569 HydrophobicContact CB-CG 4.41Å; W555-R569 HydrophobicContact CD2-CB 4.05Å; W555-R569 HydrophobicContact CD2-CG 4.09Å; W555-R569 HydrophobicContact CE3-CB 3.69Å; W555-R569 HydrophobicContact CE3-CG 4.24Å; W555-R569 HydrophobicContact CH2-CB 3.79Å; W555-R569 HydrophobicContact CH2-CG 4.03Å; W555-R569 HydrophobicContact CZ2-CB 4.13Å; W555-R569 VanDerWaalsContact CZ2-CD 3.47Å; W555-R569 HydrophobicContact CZ2-CG 3.85Å; W555-R569 HydrophobicContact CZ3-CB 3.57Å; W555-R569 HydrophobicContact CZ3-CG 4.22Å; R569-Q579 VanDerWaalsContact C-NE2 3.27Å; R569-A590 CarbonylContact O-C 3.52Å; R569-A590 VanDerWaalsContact O-CA 3.29Å; R569-A590 WeakPolarHBondContact O-CA 3.49Å; R569-S591 PolarHBondContact NE-OG 2.87Å; R569-S591 PolarHBondContact O-N 2.98Å; R569-S591 PolarHBondContact O-OG 2.99Å; R569-L592 HydrophobicContact CB-CB 4.04Å; R569-L592 PolarHBondContact N-O 2.96Å
570	G	92.3	Very high	91.9	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	164.6	171.2	0	0	0	0	0	113.1	C554 G572 S591	C554-G570 PolarHBondContact O-N 2.76Å; G570-G572 VanDerWaalsContact C-N 3.26Å; G570-G572 PolarHBondContact O-N 3.26Å; G570-S591 PolarHBondContact O-OG 3.01Å
571	R	89.3	Confident	92	Very high	192 Å²	192	51.2 Å²	51.2	73%	0.725	25%	0.248	S	C	*	.	S	Bend	trans	-66.2	-25.9	174.9	-177.4	178	172.9	-172.9	-0.9	113.6
572	G	87.5	Confident	92.1	Very high	25 Å²	25	53.3 Å²	53.3	26%	0.258	25%	0.251	S	S	.	.	S	Bend	trans	-143.4	-143.5	178.6	0	0	0	0	0	111.1	G570 R574	G570-G572 VanDerWaalsContact C-N 3.26Å; G570-G572 PolarHBondContact O-N 3.26Å; G572-R574 VanDerWaalsContact C-N 3.27Å; G572-R574 PolarHBondContact O-N 2.86Å
573	N	88.6	Confident	92.4	Very high	25 Å²	25	45.6 Å²	45.6	13%	0.134	22%	0.218	C	C	.	.	S	Bend	trans	-77.9	-17.7	-173.1	-50.7	16.3	0	0	0	112.7	F317 P319 S549 F552 C554	F317-N573 HydrophobicContact CE1-CB 3.96Å; F317-N573 WeakPolarHBondContact CE1-ND2 3.43Å; F317-N573 HydrophobicContact CZ-CB 4.4Å; F317-N573 WeakPolarHBondContact CZ-ND2 3.37Å; P319-N573 HydrophobicContact CB-CB 3.9Å; S549-N573 VanDerWaalsContact C-OD1 3.29Å; S549-N573 WeakPolarHBondContact CA-OD1 3.44Å; S549-N573 WeakPolarHBondContact CB-OD1 3.16Å; S549-N573 PolarHBondContact O-ND2 3.29Å; S549-N573 PolarHBondContact O-OD1 2.88Å; F552-N573 WeakPolarHBondContact O-CA 3.29Å; C554-N573 WeakPolarHBondContact CB-O 3.37Å
574	R	90	Very high	92.5	Very high	70 Å²	70	38.9 Å²	38.9	26%	0.264	20%	0.196	S	C	.	.	S	Bend	trans	-114.5	139.9	179.2	-169.3	-157	174.5	160.8	11	109.9	P319 S320 E432 Y433 G572	P319-R574 HydrophobicContact CB-CB 4.24Å; S320-R574 WeakPolarHBondContact OG-CD 3.43Å; E432-R574 IonicContact OE1-CZ 3.66Å; E432-R574 IonicContact OE1-NH1 2.8Å; E432-R574 PolarHBondContact OE1-NH1 2.91Å; E432-R574 IonicContact OE1-NH2 3.69Å; E432-R574 PolarHBondContact OE1-NH2 2.8Å; E432-R574 IonicContact OE2-CZ 2.71Å; E432-R574 IonicContact OE2-NH1 3.7Å; E432-R574 IonicContact OE2-NH2 2.62Å; E432-R574 PolarHBondContact OE2-NH2 2.97Å; Y433-R574 HydrophobicContact CE1-CG 4.44Å; G572-R574 VanDerWaalsContact C-N 3.27Å; G572-R574 PolarHBondContact O-N 2.86Å
575	C	90.3	Very high	92.5	Very high	7 Å²	7	40.3 Å²	40.3	5%	0.047	20%	0.202	C	C	.	.			trans	-71.1	137.3	168	-66.8	0	0	0	0	110.1	F538 C554 I556 Q579	F538-C575 HydrophobicContact CD1-CB 3.98Å; F538-C575 HydrophobicContact CE1-CB 3.74Å; C554-C575 HydrophobicContact CB-CB 4.05Å; C554-C575 WeakPolarHBondContact CB-SG 3.4Å; C554-C575 WeakPolarHBondContact SG-CB 3.47Å; C554-C575 PolarHBondContact SG-N 2.98Å; C554-C575 CovalentContact SG-SG 2.03Å; C554-C575 PolarHBondContact SG-SG 2.96Å; I556-C575 HydrophobicContact CD1-CB 4.23Å; I556-C575 HydrophobicContact CG1-CB 4.21Å; C575-Q579 VanDerWaalsContact CA-OE1 3.3Å; C575-Q579 VanDerWaalsContact CB-OE1 3.29Å
576	S	89.6	Confident	92.4	Very high	46 Å²	46	42.5 Å²	42.5	32%	0.322	22%	0.216	S	C	.	.			trans	-69.4	149.9	174.4	-175	0	0	0	0	110.4	I578 Q579	S576-I578 VanDerWaalsContact C-N 3.28Å; S576-I578 PolarHBondContact O-N 2.79Å; S576-I578 WeakPolarHBondContact OG-CG1 3.25Å; S576-Q579 WeakPolarHBondContact O-CB 3.45Å; S576-Q579 PolarHBondContact O-N 2.88Å; S576-Q579 VanDerWaalsContact O-N 3.13Å
577	K	86.6	Confident	92.2	Very high	80 Å²	80	48.8 Å²	48.8	35%	0.348	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-37.3	178.4	-63	-170.6	177.9	-161.7	0	112.5	T430 K536 Q579	T430-K577 WeakPolarHBondContact OG1-CE 3.09Å; T430-K577 PolarHBondContact OG1-NZ 2.75Å; T430-K577 VanDerWaalsContact OG1-NZ 3.17Å; K536-K577 PolarHBondContact NZ-O 3.49Å; K577-Q579 VanDerWaalsContact C-N 3.29Å; K577-Q579 PolarHBondContact O-N 2.94Å
578	I	90.6	Very high	92.1	Very high	108 Å²	108	52.4 Å²	52.4	55%	0.554	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-14.7	178.3	59.6	164.2	0	0	0	113.4	S576 E587	S576-I578 VanDerWaalsContact C-N 3.28Å; S576-I578 PolarHBondContact O-N 2.79Å; S576-I578 WeakPolarHBondContact OG-CG1 3.25Å; I578-E587 WeakPolarHBondContact CD1-O 3.22Å
579	Q	92.7	Very high	91.8	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.266	C	S	.	.			trans	-63.3	141.4	-177.4	-169.8	-174.3	-11.5	0	0	110.5	K536 I556 S568 R569 C575 S576 K577 E588 A590	K536-Q579 PolarHBondContact NZ-O 2.87Å; I556-Q579 HydrophobicContact CD1-CB 3.76Å; I556-Q579 HydrophobicContact CD1-CG 3.78Å; I556-Q579 WeakPolarHBondContact CD1-O 3.49Å; I556-Q579 HydrophobicContact CG1-CG 4.42Å; S568-Q579 PolarHBondContact O-NE2 2.76Å; S568-Q579 PolarHBondContact OG-NE2 3.35Å; R569-Q579 VanDerWaalsContact C-NE2 3.27Å; C575-Q579 VanDerWaalsContact CA-OE1 3.3Å; C575-Q579 VanDerWaalsContact CB-OE1 3.29Å; S576-Q579 WeakPolarHBondContact O-CB 3.45Å; S576-Q579 PolarHBondContact O-N 2.88Å; S576-Q579 VanDerWaalsContact O-N 3.13Å; K577-Q579 VanDerWaalsContact C-N 3.29Å; K577-Q579 PolarHBondContact O-N 2.94Å; Q579-E588 WeakPolarHBondContact CA-O 3.42Å; Q579-A590 HydrophobicContact CG-CB 4.17Å
580	T	93.7	Very high	91.8	Very high	58 Å²	58	52.3 Å²	52.3	36%	0.356	26%	0.264	S	S	.	.			trans	-124	169.9	172.1	71.3	0	0	0	0	110	S568 E582 S583	S568-T580 WeakPolarHBondContact CB-O 3.45Å; S568-T580 PolarHBondContact OG-O 2.95Å; T580-E582 PolarHBondContact O-N 2.81Å; T580-E582 PolarHBondContact OG1-N 2.87Å; T580-S583 PolarHBondContact N-OG 3.28Å; T580-S583 WeakPolarHBondContact O-CB 3.45Å; T580-S583 PolarHBondContact O-N 3.38Å; T580-S583 VanDerWaalsContact O-N 3.16Å; T580-S583 PolarHBondContact OG1-N 3.44Å; T580-S583 PolarHBondContact OG1-OG 2.57Å
581	A	93.9	Very high	91.9	Very high	8 Å²	8	52.5 Å²	52.5	7%	0.066	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-18.8	175.5	0	0	0	0	0	113.5	I556 K558 L566 L593	I556-A581 HydrophobicContact CG2-CB 4.11Å; K558-A581 HydrophobicContact CB-CB 3.4Å; K558-A581 HydrophobicContact CD-CB 4.23Å; K558-A581 HydrophobicContact CG-CB 4.48Å; L566-A581 WeakPolarHBondContact CB-O 3.38Å; A581-L593 WeakPolarHBondContact O-CD1 3.3Å
582	E	95	Very high	92.1	Very high	106 Å²	106	43.4 Å²	43.4	50%	0.495	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-7.5	179.3	-71.6	161.8	-145.1	0	0	112.3	K558 L566 T580	K558-E582 IonicContact NZ-OE1 3.16Å; K558-E582 PolarHBondContact NZ-OE1 2.87Å; K558-E582 VanDerWaalsContact NZ-OE1 3.16Å; L566-E582 HydrophobicContact CD1-CB 4.34Å; L566-E582 HydrophobicContact CD1-CG 3.33Å; T580-E582 PolarHBondContact O-N 2.81Å; T580-E582 PolarHBondContact OG1-N 2.87Å
583	S	95.9	Very high	92.6	Very high	5 Å²	5	42.7 Å²	42.7	4%	0.035	22%	0.222	C	C	.	.			trans	-71.6	136.4	-176.1	-62.6	0	0	0	0	111.7	S568 T580 E588 A590	S568-S583 VanDerWaalsContact CB-O 3.29Å; S568-S583 WeakPolarHBondContact CB-O 3.38Å; S568-S583 PolarHBondContact OG-O 2.68Å; T580-S583 PolarHBondContact N-OG 3.28Å; T580-S583 WeakPolarHBondContact O-CB 3.45Å; T580-S583 PolarHBondContact O-N 3.38Å; T580-S583 VanDerWaalsContact O-N 3.16Å; T580-S583 PolarHBondContact OG1-N 3.44Å; T580-S583 PolarHBondContact OG1-OG 2.57Å; S583-E588 WeakPolarHBondContact CA-OE2 3.05Å; S583-E588 WeakPolarHBondContact CB-OE2 3.34Å; S583-A590 WeakPolarHBondContact O-CB 3.47Å
584	S	94.1	Very high	92.9	Very high	22 Å²	22	41.5 Å²	41.5	15%	0.154	22%	0.215	C	C	.	.			trans	-131.3	-17.2	-178.3	65.5	0	0	0	0	114.3	G456 E588 S591	G456-S584 VanDerWaalsContact CA-O 3.3Å; G456-S584 WeakPolarHBondContact CA-O 3.19Å; S584-E588 PolarHBondContact N-OE2 2.83Å; S584-S591 CarbonylContact O-C 3.59Å
585	L	94.3	Very high	93.3	Very high	70 Å²	70	40.7 Å²	40.7	37%	0.366	21%	0.214	S	C	.	.	S	Bend	trans	-109.8	154.8	-172.3	-62.1	175.9	0	0	0	112.8	E587 E588 G589 A590	L585-E587 VanDerWaalsContact CB-OE2 3.28Å; L585-E587 WeakPolarHBondContact CB-OE2 3.5Å; L585-E587 PolarHBondContact O-N 2.75Å; L585-E588 PolarHBondContact N-OE2 2.84Å; L585-E588 WeakPolarHBondContact O-CB 3.33Å; L585-E588 PolarHBondContact O-N 2.92Å; L585-G589 PolarHBondContact O-N 2.87Å; L585-A590 CarbonylContact C-O 3.52Å; L585-A590 PolarHBondContact O-N 3.45Å; L585-A590 VanDerWaalsContact O-N 3.14Å
586	P	91.8	Very high	93.5	Very high	47 Å²	47	40.4 Å²	40.4	31%	0.305	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-58.8	-31.5	177.8	-25.9	36.1	0	0	0	114.1	Q457 E588 G589 A590	Q457-P586 HydrophobicContact CG-CG 3.64Å; P586-E588 PolarHBondContact O-N 2.93Å; P586-G589 PolarHBondContact O-N 2.82Å; P586-A590 WeakPolarHBondContact CA-O 3.48Å; P586-A590 VanDerWaalsContact N-O 3.12Å
587	E	92.9	Very high	93.8	Very high	143 Å²	143	40.8 Å²	40.8	67%	0.668	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-63.5	-28.2	176.8	-62.2	75.1	-161	0	0	111.9	I578 L585 G589	I578-E587 WeakPolarHBondContact CD1-O 3.22Å; L585-E587 VanDerWaalsContact CB-OE2 3.28Å; L585-E587 WeakPolarHBondContact CB-OE2 3.5Å; L585-E587 PolarHBondContact O-N 2.75Å; E587-G589 VanDerWaalsContact C-N 3.32Å
588	E	93.1	Very high	94.1	Very high	78 Å²	78	39.5 Å²	39.5	36%	0.364	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-91.9	4.2	176.3	-55.4	173.2	151.2	0	0	111.9	Q579 S583 S584 L585 P586 A590	Q579-E588 WeakPolarHBondContact CA-O 3.42Å; S583-E588 WeakPolarHBondContact CA-OE2 3.05Å; S583-E588 WeakPolarHBondContact CB-OE2 3.34Å; S584-E588 PolarHBondContact N-OE2 2.83Å; L585-E588 PolarHBondContact N-OE2 2.84Å; L585-E588 WeakPolarHBondContact O-CB 3.33Å; L585-E588 PolarHBondContact O-N 2.92Å; P586-E588 PolarHBondContact O-N 2.93Å; E588-A590 VanDerWaalsContact C-N 3.3Å; E588-A590 PolarHBondContact O-N 2.85Å
589	G	91.4	Very high	94.1	Very high	9 Å²	9	35.6 Å²	35.6	9%	0.093	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	11.1	-177	0	0	0	0	0	115.1	L585 P586 E587	L585-G589 PolarHBondContact O-N 2.87Å; P586-G589 PolarHBondContact O-N 2.82Å; E587-G589 VanDerWaalsContact C-N 3.32Å
590	A	94.9	Very high	93.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	163.5	175.9	0	0	0	0	0	111.8	S568 R569 Q579 S583 L585 P586 E588	S568-A590 WeakPolarHBondContact OG-CB 3.49Å; R569-A590 CarbonylContact O-C 3.52Å; R569-A590 VanDerWaalsContact O-CA 3.29Å; R569-A590 WeakPolarHBondContact O-CA 3.49Å; Q579-A590 HydrophobicContact CG-CB 4.17Å; S583-A590 WeakPolarHBondContact O-CB 3.47Å; L585-A590 CarbonylContact C-O 3.52Å; L585-A590 PolarHBondContact O-N 3.45Å; L585-A590 VanDerWaalsContact O-N 3.14Å; P586-A590 WeakPolarHBondContact CA-O 3.48Å; P586-A590 VanDerWaalsContact N-O 3.12Å; E588-A590 VanDerWaalsContact C-N 3.3Å; E588-A590 PolarHBondContact O-N 2.85Å
591	S	93	Very high	93.3	Very high	4 Å²	4	39.6 Å²	39.6	3%	0.028	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	-35.4	172.2	54.1	0	0	0	0	112.9	Q457 R569 G570 S584	Q457-S591 PolarHBondContact N-O 2.9Å; R569-S591 PolarHBondContact NE-OG 2.87Å; R569-S591 PolarHBondContact O-N 2.98Å; R569-S591 PolarHBondContact O-OG 2.99Å; G570-S591 PolarHBondContact O-OG 3.01Å; S584-S591 CarbonylContact O-C 3.59Å
592	L	94.9	Very high	92.6	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	141.5	-170.3	179.6	68	0	0	0	109.4	Q454 R455 K461 Y462 W555 S568 R569 L594	Q454-L592 HydrophobicContact CB-CD1 4.15Å; R455-L592 CarbonylContact O-C 3.46Å; K461-L592 HydrophobicContact CG-CD1 4.04Å; Y462-L592 HydrophobicContact CD2-CD2 3.7Å; Y462-L592 HydrophobicContact CE2-CD2 3.52Å; W555-L592 HydrophobicContact CH2-CD2 4.19Å; S568-L592 CarbonylContact C-O 3.46Å; S568-L592 WeakPolarHBondContact CA-O 3.32Å; R569-L592 HydrophobicContact CB-CB 4.04Å; R569-L592 PolarHBondContact N-O 2.96Å; L592-L594 HydrophobicContact CD1-CD2 4.48Å; L592-L594 HydrophobicContact CD2-CD2 4.13Å; L592-L594 HydrophobicContact CD2-CG 4.48Å; L592-L594 HydrophobicContact CG-CD2 4.23Å
593	L	96.7	Very high	91.8	Very high	11 Å²	11	51.6 Å²	51.6	6%	0.058	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	131.1	170	173.4	69.1	0	0	0	108.8	Q454 R455 L566 A581	Q454-L593 WeakPolarHBondContact CA-O 3.23Å; R455-L593 HydrophobicContact CB-CB 4.3Å; R455-L593 HydrophobicContact CB-CD2 4.47Å; R455-L593 PolarHBondContact N-O 3.17Å; R455-L593 PolarHBondContact O-N 3.42Å; L566-L593 HydrophobicContact CB-CD1 4.34Å; L566-L593 HydrophobicContact CD2-CD1 4.44Å; A581-L593 WeakPolarHBondContact O-CD1 3.3Å
594	L	96.4	Very high	91	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	117.2	170.3	-57.5	-178.6	0	0	0	108.9	F452 Q454 L500 W555 L566 M567 L592 L596	F452-L594 HydrophobicContact CD2-CD2 3.94Å; F452-L594 HydrophobicContact CE2-CD2 4.37Å; Q454-L594 HydrophobicContact CB-CD2 4.38Å; Q454-L594 HydrophobicContact CG-CD2 3.73Å; L500-L594 HydrophobicContact CD1-CD1 4.12Å; W555-L594 HydrophobicContact CH2-CD1 3.85Å; W555-L594 HydrophobicContact CH2-CG 4.37Å; W555-L594 HydrophobicContact CZ3-CD1 3.85Å; W555-L594 HydrophobicContact CZ3-CG 4.07Å; L566-L594 WeakPolarHBondContact CA-O 3.34Å; M567-L594 HydrophobicContact CB-CB 4.4Å; M567-L594 PolarHBondContact N-O 3.38Å; M567-L594 PolarHBondContact O-N 3.38Å; L592-L594 HydrophobicContact CD1-CD2 4.48Å; L592-L594 HydrophobicContact CD2-CD2 4.13Å; L592-L594 HydrophobicContact CD2-CG 4.48Å; L592-L594 HydrophobicContact CG-CD2 4.23Å; L594-L596 HydrophobicContact CB-CD2 3.95Å
595	E	96.5	Very high	90.6	Very high	52 Å²	52	58.1 Å²	58.1	24%	0.243	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	111.9	169.7	179.1	178	-179.6	0	0	108.5	F452 I453 R455 L566	F452-E595 CarbonylContact C-O 3.55Å; F452-E595 WeakPolarHBondContact CA-O 3.49Å; I453-E595 HydrophobicContact CB-CB 4.39Å; I453-E595 PolarHBondContact N-O 3.22Å; I453-E595 PolarHBondContact O-N 2.97Å; R455-E595 IonicContact CZ-OE2 2.82Å; R455-E595 IonicContact NE-OE2 2.98Å; R455-E595 IonicContact NH2-OE2 3.03Å; R455-E595 PolarHBondContact NH2-OE2 3.46Å; L566-E595 HydrophobicContact CD2-CB 3.83Å; L566-E595 HydrophobicContact CD2-CG 3.85Å
596	L	96.1	Very high	90.4	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	134.6	-173.8	-48.7	-174.1	0	0	0	110.8	F450 K451 F452 I488 T564 Y565 M567 L594	F450-L596 HydrophobicContact CB-CB 4Å; F450-L596 HydrophobicContact CD1-CB 4.34Å; F450-L596 HydrophobicContact CG-CB 4.2Å; K451-L596 CarbonylContact O-C 3.57Å; K451-L596 WeakPolarHBondContact O-CA 3.03Å; F452-L596 HydrophobicContact CB-CD2 3.37Å; F452-L596 HydrophobicContact CG-CD2 4.41Å; I488-L596 HydrophobicContact CG2-CD1 4.39Å; I488-L596 HydrophobicContact CG2-CD2 3.67Å; T564-L596 VanDerWaalsContact CA-O 3.26Å; T564-L596 WeakPolarHBondContact CA-O 3.43Å; Y565-L596 PolarHBondContact N-O 2.85Å; Y565-L596 PolarHBondContact O-N 3.33Å; M567-L596 HydrophobicContact CG-CD1 4.2Å; M567-L596 HydrophobicContact SD-CD1 3.86Å; L594-L596 HydrophobicContact CB-CD2 3.95Å
597	T	95.3	Very high	90.2	Very high	54 Å²	54	55.7 Å²	55.7	33%	0.331	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	129.2	174.1	57.1	0	0	0	0	109.5	F450 K451 T564 D599	F450-T597 CarbonylContact C-O 3.57Å; F450-T597 VanDerWaalsContact CA-O 3.23Å; F450-T597 WeakPolarHBondContact CA-O 3.28Å; K451-T597 WeakPolarHBondContact CB-OG1 3.31Å; K451-T597 PolarHBondContact N-O 3.01Å; K451-T597 PolarHBondContact O-N 3.18Å; K451-T597 PolarHBondContact O-OG1 3.33Å; T564-T597 HydrophobicContact CG2-CG2 4.1Å; T597-D599 PolarHBondContact O-N 3.24Å
598	E	93	Very high	90	Very high	54 Å²	54	51.4 Å²	51.4	25%	0.252	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.2	132.7	178.5	-174.2	-170.1	-178.2	0	0	112.4	F450 R563 M608	F450-E598 HydrophobicContact CD1-CB 4.49Å; R563-E598 HydrophobicContact CB-CB 3.98Å; R563-E598 WeakPolarHBondContact CD-OE2 3.26Å; R563-E598 WeakPolarHBondContact CG-OE2 3.38Å; R563-E598 IonicContact CZ-OE2 3.95Å; R563-E598 IonicContact NE-OE2 3.07Å; R563-E598 PolarHBondContact NE-OE2 3.01Å; R563-E598 VanDerWaalsContact NE-OE2 3.07Å; R563-E598 PolarHBondContact O-N 2.68Å; E598-M608 HydrophobicContact CB-CE 4.21Å; E598-M608 HydrophobicContact CB-SD 4.39Å; E598-M608 HydrophobicContact CG-CE 4.16Å; E598-M608 HydrophobicContact CG-CG 4.42Å; E598-M608 HydrophobicContact CG-SD 3.72Å; E598-M608 VanDerWaalsContact OE1-SD 3.35Å
599	D	90.6	Very high	89.8	Confident	25 Å²	25	50.4 Å²	50.4	13%	0.134	26%	0.26	C	S	.	.			trans	-143.7	42.5	-179.8	-162.9	52.5	0	0	0	111.3	K449 K451 T597	K449-D599 WeakPolarHBondContact CD-O 3.22Å; K449-D599 PolarHBondContact O-N 2.98Å; K451-D599 HydrophobicContact CB-CB 4.35Å; K451-D599 HydrophobicContact CD-CB 3.99Å; K451-D599 VanDerWaalsContact CD-CG 3.44Å; K451-D599 WeakPolarHBondContact CD-OD1 3.37Å; K451-D599 WeakPolarHBondContact CD-OD2 3.41Å; K451-D599 VanDerWaalsContact CE-CG 3.41Å; K451-D599 WeakPolarHBondContact CE-OD1 3.42Å; K451-D599 WeakPolarHBondContact CE-OD2 3.36Å; K451-D599 HydrophobicContact CG-CB 3.83Å; K451-D599 WeakPolarHBondContact CG-OD2 3.03Å; K451-D599 IonicContact NZ-OD1 2.92Å; K451-D599 PolarHBondContact NZ-OD1 3.35Å; K451-D599 IonicContact NZ-OD2 3.46Å; K451-D599 PolarHBondContact NZ-OD2 2.89Å; T597-D599 PolarHBondContact O-N 3.24Å
600	E	86.5	Confident	89.8	Confident	70 Å²	70	53 Å²	53	33%	0.327	27%	0.267	S	S	.	.			trans	-79.2	125.5	171.9	-172.4	-178.2	-161.7	0	0	110.4	D604 C606	E600-D604 HydrophobicContact CG-CB 4.08Å; E600-D604 VanDerWaalsContact OE1-O 3.1Å; E600-C606 VanDerWaalsContact CD-O 3.26Å; E600-C606 PolarHBondContact OE1-N 3.16Å
601	Y	82.6	Confident	89.6	Confident	72 Å²	72	55.1 Å²	55.1	28%	0.282	28%	0.278	S	S	.	.			trans	-88.1	163	174.2	-66.1	-70.6	0	0	0	112.4	W506 F603 D604	W506-Y601 AromaticContact CH2-CD2 3.63Å; W506-Y601 HydrophobicContact CH2-CD2 3.63Å; W506-Y601 AromaticContact CH2-CE2 3.19Å; W506-Y601 HydrophobicContact CH2-CE2 3.19Å; W506-Y601 AromaticContact CH2-CZ 3.75Å; W506-Y601 HydrophobicContact CZ2-CD2 4.15Å; W506-Y601 HydrophobicContact CZ2-CE1 4.21Å; W506-Y601 AromaticContact CZ2-CE2 3.54Å; W506-Y601 HydrophobicContact CZ2-CE2 3.54Å; W506-Y601 AromaticContact CZ2-CZ 3.57Å; W506-Y601 HydrophobicContact CZ3-CD2 4.39Å; W506-Y601 AromaticContact CZ3-CE2 3.75Å; W506-Y601 HydrophobicContact CZ3-CE2 3.75Å; Y601-F603 PolarHBondContact O-N 3.31Å; Y601-D604 VanDerWaalsContact CD2-OD2 3.3Å; Y601-D604 WeakPolarHBondContact CD2-OD2 3.46Å; Y601-D604 PolarHBondContact N-OD2 2.81Å; Y601-D604 PolarHBondContact O-N 3.35Å
602	Q	78.7	Confident	89.4	Confident	185 Å²	185	56.4 Å²	56.4	86%	0.864	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-16.7	-175.8	-70.6	-179.1	-9.8	0	0	115.9
603	F	79.2	Confident	89.1	Confident	181 Å²	181	56.4 Å²	56.4	79%	0.794	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.9	2	179.8	-59.8	-69.3	0	0	0	113.7	Y601 V605	Y601-F603 PolarHBondContact O-N 3.31Å; F603-V605 PolarHBondContact O-N 2.03Å
604	D	79.4	Confident	88.6	Confident	50 Å²	50	64.7 Å²	64.7	27%	0.267	32%	0.315	S	S	.	.			trans	-75	122.3	170.9	-71.8	-16.4	0	0	0	107.4	K449 E600 Y601 C606	K449-D604 WeakPolarHBondContact CD-OD2 3.41Å; K449-D604 IonicContact NZ-OD1 3.02Å; K449-D604 IonicContact NZ-OD2 3.5Å; K449-D604 PolarHBondContact NZ-OD2 3.39Å; E600-D604 HydrophobicContact CG-CB 4.08Å; E600-D604 VanDerWaalsContact OE1-O 3.1Å; Y601-D604 VanDerWaalsContact CD2-OD2 3.3Å; Y601-D604 WeakPolarHBondContact CD2-OD2 3.46Å; Y601-D604 PolarHBondContact N-OD2 2.81Å; Y601-D604 PolarHBondContact O-N 3.35Å; D604-C606 VanDerWaalsContact C-N 3.26Å; D604-C606 PolarHBondContact O-N 2.8Å; D604-C606 VanDerWaalsContact O-N 3.1Å
605	V	85	Confident	87.9	Confident	115 Å²	115	69.1 Å²	69.1	70%	0.697	34%	0.339	S	S	*	.			trans	-87.8	71.1	177.6	-172	0	0	0	0	108.2	L492 F603	L492-V605 HydrophobicContact CD1-CG1 4.3Å; F603-V605 PolarHBondContact O-N 2.03Å
606	C	90.2	Very high	86.8	Confident	2 Å²	2	67.4 Å²	67.4	1%	0.014	33%	0.332	C	S	.	.			trans	-141.4	66.1	-172.3	-160.8	0	0	0	0	112.6	K449 C491 E600 D604	K449-C606 HydrophobicContact CB-CB 4.42Å; C491-C606 WeakPolarHBondContact CA-SG 3.47Å; C491-C606 HydrophobicContact CB-CB 3.83Å; C491-C606 WeakPolarHBondContact CB-SG 3.29Å; C491-C606 WeakPolarHBondContact SG-CB 3.32Å; C491-C606 CovalentContact SG-SG 2.04Å; C491-C606 PolarHBondContact SG-SG 2.88Å; E600-C606 VanDerWaalsContact CD-O 3.26Å; E600-C606 PolarHBondContact OE1-N 3.16Å; D604-C606 VanDerWaalsContact C-N 3.26Å; D604-C606 PolarHBondContact O-N 2.8Å; D604-C606 VanDerWaalsContact O-N 3.1Å
607	P	88.4	Confident	85.9	Confident	63 Å²	63	72 Å²	72	41%	0.409	35%	0.35	S	S	.	.			trans	-63.1	142.1	-176.1	27.8	-35.8	0	0	0	111.5	L492 S609	L492-P607 HydrophobicContact CD1-CG 4.08Å; L492-P607 HydrophobicContact CD2-CG 4.39Å; L492-P607 HydrophobicContact CG-CG 4.21Å; P607-S609 PolarHBondContact O-N 2.87Å
608	M	88.7	Confident	84.9	Confident	54 Å²	54	71.5 Å²	71.5	27%	0.266	35%	0.352	S	S	.	.			trans	-66.8	130.6	174.8	-58.8	174.3	82.4	0	0	111.3	Q447 F450 Y565 E598	Q447-M608 VanDerWaalsContact O-CA 3.31Å; Q447-M608 WeakPolarHBondContact O-CA 3.35Å; F450-M608 HydrophobicContact CE1-CE 3.76Å; F450-M608 HydrophobicContact CZ-CE 4.31Å; Y565-M608 HydrophobicContact CE2-CE 3.37Å; Y565-M608 WeakPolarHBondContact OH-CE 3.37Å; E598-M608 HydrophobicContact CB-CE 4.21Å; E598-M608 HydrophobicContact CB-SD 4.39Å; E598-M608 HydrophobicContact CG-CE 4.16Å; E598-M608 HydrophobicContact CG-CG 4.42Å; E598-M608 HydrophobicContact CG-SD 3.72Å; E598-M608 VanDerWaalsContact OE1-SD 3.35Å
609	S	88.4	Confident	83.6	Confident	56 Å²	56	74.2 Å²	74.2	39%	0.392	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	141.8	168	-166.2	0	0	0	0	109.9	Q447 P607	Q447-S609 PolarHBondContact N-O 2.86Å; Q447-S609 PolarHBondContact O-N 3.24Å; P607-S609 PolarHBondContact O-N 2.87Å
610	W	90.7	Very high	82.2	Confident	63 Å²	63	78.3 Å²	78.3	24%	0.239	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	126.7	-178.6	171.6	-89.7	0	0	0	110.4	P445 I446 Y557 R559 Y565 D612	P445-W610 CarbonylContact O-C 3.43Å; P445-W610 VanDerWaalsContact O-CA 3.22Å; P445-W610 WeakPolarHBondContact O-CA 3.34Å; I446-W610 HydrophobicContact CD1-CZ3 3.99Å; I446-W610 HydrophobicContact CG1-CE3 3.77Å; I446-W610 HydrophobicContact CG1-CZ3 3.6Å; Y557-W610 HydrophobicContact CD2-CE3 4.38Å; Y557-W610 AromaticContact CD2-CH2 3.16Å; Y557-W610 HydrophobicContact CD2-CH2 3.16Å; Y557-W610 HydrophobicContact CD2-CZ2 4.05Å; Y557-W610 AromaticContact CD2-CZ3 3.37Å; Y557-W610 HydrophobicContact CD2-CZ3 3.37Å; Y557-W610 HydrophobicContact CE2-CE3 4.41Å; Y557-W610 AromaticContact CE2-CH2 3.48Å; Y557-W610 HydrophobicContact CE2-CH2 3.48Å; Y557-W610 VanDerWaalsContact CE2-CH2 3.48Å; Y557-W610 AromaticContact CE2-CZ2 3.93Å; Y557-W610 HydrophobicContact CE2-CZ2 3.93Å; Y557-W610 AromaticContact CE2-CZ3 3.76Å; Y557-W610 HydrophobicContact CE2-CZ3 3.76Å; Y557-W610 HydrophobicContact CG-CH2 4.3Å; R559-W610 HydrophobicContact CB-CD2 4.16Å; R559-W610 HydrophobicContact CB-CE3 4.31Å; R559-W610 HydrophobicContact CB-CH2 3.94Å; R559-W610 HydrophobicContact CB-CZ2 3.85Å; R559-W610 HydrophobicContact CB-CZ3 4.17Å; R559-W610 VanDerWaalsContact N-CH2 3.3Å; Y565-W610 HydrophobicContact CD1-CD2 4.38Å; Y565-W610 AromaticContact CD1-CE3 3.46Å; Y565-W610 HydrophobicContact CD1-CE3 3.46Å; Y565-W610 VanDerWaalsContact CD1-CE3 3.46Å; Y565-W610 HydrophobicContact CD1-CH2 4.37Å; Y565-W610 AromaticContact CD1-CZ3 3.42Å; Y565-W610 HydrophobicContact CD1-CZ3 3.42Å; Y565-W610 VanDerWaalsContact CD1-CZ3 3.42Å; Y565-W610 HydrophobicContact CE1-CB 4.48Å; Y565-W610 AromaticContact CE1-CD2 3.94Å; Y565-W610 HydrophobicContact CE1-CD2 3.94Å; Y565-W610 AromaticContact CE1-CE3 3.32Å; Y565-W610 HydrophobicContact CE1-CE3 3.32Å; Y565-W610 HydrophobicContact CE1-CG 4.41Å; Y565-W610 AromaticContact CE1-CZ3 3.83Å; Y565-W610 HydrophobicContact CE1-CZ3 3.83Å; W610-D612 HydrophobicContact CZ2-CB 4.19Å
611	D	91	Very high	80.9	Confident	45 Å²	45	78.9 Å²	78.9	24%	0.241	41%	0.413	C	S	.	.			trans	-122.7	132.8	166.6	-166.9	-24.2	0	0	0	108.6	P445 Y530 Y557 G613	P445-D611 HydrophobicContact CB-CB 4.21Å; P445-D611 PolarHBondContact O-N 2.9Å; Y530-D611 HydrophobicContact CE2-CB 4.12Å; Y530-D611 WeakPolarHBondContact CE2-OD2 3.15Å; Y530-D611 PolarHBondContact OH-OD2 2.9Å; Y557-D611 VanDerWaalsContact CE2-O 3.27Å; Y557-D611 WeakPolarHBondContact CE2-O 3.29Å; Y557-D611 PolarHBondContact OH-O 2.91Å; Y557-D611 VanDerWaalsContact OH-O 3.04Å; D611-G613 PolarHBondContact OD1-N 3.27Å
612	D	88.9	Confident	79.6	Confident	32 Å²	32	80.9 Å²	80.9	17%	0.171	43%	0.427	C	S	.	.			trans	-92.7	-6.5	177.5	66.5	3.9	0	0	0	113.4	M532 S537 W610 R614	M532-D612 HydrophobicContact CE-CB 3.57Å; M532-D612 VanDerWaalsContact CE-CG 3.5Å; M532-D612 WeakPolarHBondContact CE-O 3.38Å; S537-D612 WeakPolarHBondContact CB-O 3.47Å; S537-D612 PolarHBondContact OG-O 2.91Å; W610-D612 HydrophobicContact CZ2-CB 4.19Å; D612-R614 WeakPolarHBondContact OD1-CB 3.38Å; D612-R614 WeakPolarHBondContact OD1-CG 3.47Å; D612-R614 PolarHBondContact OD1-N 2.88Å; D612-R614 VanDerWaalsContact OD1-N 3.12Å; D612-R614 IonicContact OD1-NE 3.87Å; D612-R614 WeakPolarHBondContact OD2-CD 3.32Å; D612-R614 IonicContact OD2-CZ 3.24Å; D612-R614 VanDerWaalsContact OD2-CZ 3.24Å; D612-R614 IonicContact OD2-NE 2.66Å; D612-R614 PolarHBondContact OD2-NE 2.99Å; D612-R614 IonicContact OD2-NH2 3.12Å; D612-R614 PolarHBondContact OD2-NH2 2.04Å; D612-R614 VanDerWaalsContact OD2-NH2 3.12Å
613	G	88.7	Confident	78.5	Confident	0 Å²	0	79.1 Å²	79.1	0%	0	42%	0.423	C	S	.	.			trans	75.5	18.4	178.3	0	0	0	0	0	114.6	M532 D611 P616	M532-G613 WeakPolarHBondContact CB-O 3.12Å; M532-G613 PolarHBondContact N-O 3.41Å; D611-G613 PolarHBondContact OD1-N 3.27Å; G613-P616 WeakPolarHBondContact O-CD 3.36Å
614	R	87.2	Confident	77.4	Confident	184 Å²	184	76 Å²	76	69%	0.694	41%	0.414	S	S	*	.	S	Bend	trans	-58.5	-49.4	177.1	-82.2	-179.4	-151.7	-173	10.6	113.3	M532 D612 P616	M532-R614 HydrophobicContact CE-CG 3.53Å; M532-R614 HydrophobicContact SD-CG 3.48Å; M532-R614 WeakPolarHBondContact SD-CG 3.42Å; D612-R614 WeakPolarHBondContact OD1-CB 3.38Å; D612-R614 WeakPolarHBondContact OD1-CG 3.47Å; D612-R614 PolarHBondContact OD1-N 2.88Å; D612-R614 VanDerWaalsContact OD1-N 3.12Å; D612-R614 IonicContact OD1-NE 3.87Å; D612-R614 WeakPolarHBondContact OD2-CD 3.32Å; D612-R614 IonicContact OD2-CZ 3.24Å; D612-R614 VanDerWaalsContact OD2-CZ 3.24Å; D612-R614 IonicContact OD2-NE 2.66Å; D612-R614 PolarHBondContact OD2-NE 2.99Å; D612-R614 IonicContact OD2-NH2 3.12Å; D612-R614 PolarHBondContact OD2-NH2 2.04Å; D612-R614 VanDerWaalsContact OD2-NH2 3.12Å; R614-P616 VanDerWaalsContact C-CD 3.48Å; R614-P616 VanDerWaalsContact O-CD 3.32Å; R614-P616 WeakPolarHBondContact O-CD 3.37Å
615	N	81.5	Confident	76.3	Confident	94 Å²	94	79 Å²	79	50%	0.503	44%	0.435	S	S	.	.			trans	-117.3	82.4	175.3	-170.7	-0.5	0	0	0	109.6	Y617 A618	N615-Y617 PolarHBondContact O-N 3.01Å; N615-Y617 VanDerWaalsContact O-N 3.1Å; N615-Y617 PolarHBondContact OD1-N 3.24Å; N615-A618 HydrophobicContact CB-CB 4.03Å; N615-A618 WeakPolarHBondContact O-CB 3.26Å; N615-A618 PolarHBondContact O-N 3.25Å; N615-A618 VanDerWaalsContact O-N 3.1Å; N615-A618 PolarHBondContact OD1-N 3.36Å
616	P	71.9	Confident	74.9	Confident	15 Å²	15	83.3 Å²	83.3	10%	0.097	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.4	179.3	18	-23.5	0	0	0	112.1	H382 G613 R614	H382-P616 HydrophobicContact CB-CB 4.4Å; H382-P616 WeakPolarHBondContact CD2-CB 3.05Å; H382-P616 VanDerWaalsContact CE1-CB 3.42Å; H382-P616 WeakPolarHBondContact CE1-CB 3.32Å; H382-P616 PolarHBondContact CE1-O 3.06Å; H382-P616 PolarHBondContact ND1-O 3.21Å; H382-P616 WeakPolarHBondContact NE2-CB 3.12Å; G613-P616 WeakPolarHBondContact O-CD 3.36Å; R614-P616 VanDerWaalsContact C-CD 3.48Å; R614-P616 VanDerWaalsContact O-CD 3.32Å; R614-P616 WeakPolarHBondContact O-CD 3.37Å
617	Y	79	Confident	73.3	Confident	97 Å²	97	86.8 Å²	86.8	38%	0.38	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-5.8	-177.2	-50.1	-77.2	0	0	0	113.4	P380 H382 R387 N615	P380-Y617 HydrophobicContact CB-CE1 3.8Å; P380-Y617 WeakPolarHBondContact O-CE1 3.22Å; P380-Y617 PolarHBondContact O-OH 3.23Å; H382-Y617 HydrophobicContact CB-CD1 4.31Å; H382-Y617 HydrophobicContact CB-CE1 3.71Å; R387-Y617 PolarHBondContact NH2-OH 3.13Å; N615-Y617 PolarHBondContact O-N 3.01Å; N615-Y617 VanDerWaalsContact O-N 3.1Å; N615-Y617 PolarHBondContact OD1-N 3.24Å
618	A	74.3	Confident	71.7	Confident	45 Å²	45	89.7 Å²	89.7	37%	0.372	49%	0.49	S	S	.	.	S	Bend	trans	-71.4	146.2	173.7	0	0	0	0	0	110.8	N615 P620	N615-A618 HydrophobicContact CB-CB 4.03Å; N615-A618 WeakPolarHBondContact O-CB 3.26Å; N615-A618 PolarHBondContact O-N 3.25Å; N615-A618 VanDerWaalsContact O-N 3.1Å; N615-A618 PolarHBondContact OD1-N 3.36Å; A618-P620 WeakPolarHBondContact O-CD 3.37Å
619	N	64.6	Low	70	Confident	111 Å²	111	90.6 Å²	90.6	59%	0.594	51%	0.514	S	S	*	.			trans	-78.4	121.2	170.2	-162	-4.7	0	0	0	108.1	A621 I622	N619-A621 PolarHBondContact O-N 2.7Å; N619-I622 PolarHBondContact O-N 3.16Å
620	P	62	Low	68.7	Low	110 Å²	110	92.9 Å²	92.9	71%	0.714	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-12.9	-177.2	24.6	-35.4	0	0	0	113.5	A618 I622	A618-P620 WeakPolarHBondContact O-CD 3.37Å; P620-I622 PolarHBondContact O-N 3.31Å
621	A	58	Low	67	Low	82 Å²	82	97.4 Å²	97.4	68%	0.678	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-5.5	177	0	0	0	0	0	114.5	N619 L623	N619-A621 PolarHBondContact O-N 2.7Å; A621-L623 PolarHBondContact O-N 3.29Å; A621-L623 VanDerWaalsContact O-N 3.16Å
622	I	55.3	Low	65.4	Low	114 Å²	114	102.5 Å²	102.5	59%	0.585	58%	0.583	S	S	*	*			trans	-80.5	98.4	175.2	-57.8	171.4	0	0	0	107.7	N619 P620 D624	N619-I622 PolarHBondContact O-N 3.16Å; P620-I622 PolarHBondContact O-N 3.31Å; I622-D624 PolarHBondContact O-N 2.9Å
623	L	55.8	Low	64.1	Low	149 Å²	149	108.8 Å²	108.8	78%	0.78	61%	0.611	S	S	*	*			trans	-64.5	113.1	162.3	-119.3	104	0	0	0	107.4	A621 V625	A621-L623 PolarHBondContact O-N 3.29Å; A621-L623 VanDerWaalsContact O-N 3.16Å; L623-V625 HydrophobicContact CB-CG2 4.48Å; L623-V625 PolarHBondContact O-N 2.7Å
624	D	57.2	Low	62.6	Low	114 Å²	114	113.8 Å²	113.8	61%	0.61	64%	0.644	S	S	*	*			trans	-67.5	91.2	165	-78	-24.5	0	0	0	107.8	I622 Y626	I622-D624 PolarHBondContact O-N 2.9Å; D624-Y626 VanDerWaalsContact C-N 3.33Å; D624-Y626 HydrophobicContact CB-CD2 4.4Å; D624-Y626 HydrophobicContact CB-CE2 3.9Å; D624-Y626 VanDerWaalsContact O-CD2 3.31Å; D624-Y626 WeakPolarHBondContact O-CD2 3.29Å; D624-Y626 PolarHBondContact O-N 3.15Å
625	V	56.3	Low	61.6	Low	114 Å²	114	108.1 Å²	108.1	69%	0.691	63%	0.632	S	S	*	*			trans	-70.5	96.8	169.8	-177.1	0	0	0	0	106.4	L623 A627	L623-V625 HydrophobicContact CB-CG2 4.48Å; L623-V625 PolarHBondContact O-N 2.7Å; V625-A627 HydrophobicContact CG1-CB 4.34Å; V625-A627 PolarHBondContact O-N 3.06Å
626	Y	55.6	Low	61	Low	205 Å²	205	109.9 Å²	109.9	80%	0.804	64%	0.641	S	S	*	*			trans	-68.1	71.7	165.6	-65.3	-86.1	0	0	0	109	D624 S628	D624-Y626 VanDerWaalsContact C-N 3.33Å; D624-Y626 HydrophobicContact CB-CD2 4.4Å; D624-Y626 HydrophobicContact CB-CE2 3.9Å; D624-Y626 VanDerWaalsContact O-CD2 3.31Å; D624-Y626 WeakPolarHBondContact O-CD2 3.29Å; D624-Y626 PolarHBondContact O-N 3.15Å; Y626-S628 PolarHBondContact O-N 3.07Å
627	A	56.3	Low	60.9	Low	76 Å²	76	113 Å²	113	63%	0.628	66%	0.664	S	S	*	*			trans	-69.7	115.5	164.1	0	0	0	0	0	106.5	V625 G629	V625-A627 HydrophobicContact CG1-CB 4.34Å; V625-A627 PolarHBondContact O-N 3.06Å; A627-G629 VanDerWaalsContact C-N 3.29Å; A627-G629 PolarHBondContact O-N 2.9Å
628	S	54.6	Low	60.3	Low	123 Å²	123	113.7 Å²	113.7	86%	0.86	67%	0.673	S	S	*	*			trans	-59.4	99	165.4	-65.2	0	0	0	0	107	Y626 C630	Y626-S628 PolarHBondContact O-N 3.07Å; S628-C630 PolarHBondContact O-N 3.28Å
629	G	53.5	Low	60.2	Low	73 Å²	73	116.5 Å²	116.5	75%	0.753	68%	0.681	S	S	*	*			trans	-66.8	81.4	178.6	0	0	0	0	0	109.7	A627 L631	A627-G629 VanDerWaalsContact C-N 3.29Å; A627-G629 PolarHBondContact O-N 2.9Å; G629-L631 PolarHBondContact O-N 2.83Å; G629-L631 VanDerWaalsContact O-N 3.14Å
630	C	60.3	Low	60.8	Low	104 Å²	104	115 Å²	115	70%	0.703	68%	0.677	S	S	*	*			trans	-73.5	102.7	163.7	-151.3	0	0	0	0	105.6	S628 L632	S628-C630 PolarHBondContact O-N 3.28Å; C630-L632 PolarHBondContact O-N 2.93Å
631	L	55.1	Low	61.6	Low	159 Å²	159	114.9 Å²	114.9	83%	0.832	67%	0.669	S	S	*	*			trans	-59.4	87.8	165.9	-84	157.5	0	0	0	107.2	G629 H633	G629-L631 PolarHBondContact O-N 2.83Å; G629-L631 VanDerWaalsContact O-N 3.14Å; L631-H633 PolarHBondContact O-N 2.79Å
632	L	57.7	Low	62.5	Low	152 Å²	152	116 Å²	116	80%	0.796	66%	0.663	S	S	*	*			trans	-68.4	90.1	169.6	-76.5	163.8	0	0	0	106.6	C630 P634	C630-L632 PolarHBondContact O-N 2.93Å; L632-P634 WeakPolarHBondContact O-CD 3.49Å
633	H	60.9	Low	63.7	Low	164 Å²	164	115 Å²	115	76%	0.759	66%	0.658	S	S	*	*			trans	-61.5	117.3	157.9	-85.9	-31.8	0	0	0	106.9	L631 S635	L631-H633 PolarHBondContact O-N 2.79Å; H633-S635 PolarHBondContact O-N 2.83Å
634	P	58.3	Low	64.9	Low	105 Å²	105	112.2 Å²	112.2	68%	0.682	64%	0.644	S	S	*	*			trans	-60.7	115.7	179.6	24.3	-31.3	0	0	0	107.4	L632 N636	L632-P634 WeakPolarHBondContact O-CD 3.49Å; P634-N636 PolarHBondContact O-N 3.37Å; P634-N636 VanDerWaalsContact O-N 3.11Å
635	S	66.3	Low	66	Low	64 Å²	64	110.6 Å²	110.6	45%	0.448	63%	0.634	S	S	.	*			trans	-65.3	115.6	175.2	58.6	0	0	0	0	107.3	H633 S637 L638	H633-S635 PolarHBondContact O-N 2.83Å; S635-S637 WeakPolarHBondContact CB-OG 3.3Å; S635-S637 PolarHBondContact O-N 2.04Å; S635-S637 PolarHBondContact OG-OG 2.89Å; S635-L638 PolarHBondContact O-N 2.93Å
636	N	67.8	Low	67.1	Low	131 Å²	131	112.4 Å²	112.4	70%	0.701	64%	0.635	S	S	*	*	H	α-helix	trans	-51.4	-22.3	177.2	-79.4	-24.8	0	0	0	112.4	P634 L638 L639 V640	P634-N636 PolarHBondContact O-N 3.37Å; P634-N636 VanDerWaalsContact O-N 3.11Å; N636-L638 VanDerWaalsContact C-N 3.34Å; N636-L638 PolarHBondContact O-N 3.24Å; N636-L639 PolarHBondContact O-N 3.2Å; N636-V640 VanDerWaalsContact O-CG2 3.31Å; N636-V640 WeakPolarHBondContact O-CG2 3.11Å; N636-V640 PolarHBondContact O-N 2.96Å; N636-V640 VanDerWaalsContact O-N 3.08Å
637	S	69.3	Low	68.3	Low	82 Å²	82	108.1 Å²	108.1	57%	0.573	62%	0.624	S	S	*	*	H	α-helix	trans	-58.8	-37.3	173.8	50.2	0	0	0	0	114.1	S635 L641	S635-S637 WeakPolarHBondContact CB-OG 3.3Å; S635-S637 PolarHBondContact O-N 2.04Å; S635-S637 PolarHBondContact OG-OG 2.89Å; S637-L641 WeakPolarHBondContact O-CB 3.25Å; S637-L641 PolarHBondContact O-N 2.92Å
638	L	68	Low	69.3	Low	111 Å²	111	111.1 Å²	111.1	58%	0.581	63%	0.629	S	S	*	*	H	α-helix	trans	-74	-34.5	-176.9	-148.7	119	0	0	0	111.5	S635 N636 L641 L642	S635-L638 PolarHBondContact O-N 2.93Å; N636-L638 VanDerWaalsContact C-N 3.34Å; N636-L638 PolarHBondContact O-N 3.24Å; L638-L641 PolarHBondContact O-N 2.71Å; L638-L642 HydrophobicContact CD2-CD1 4.16Å; L638-L642 WeakPolarHBondContact O-CG 3.25Å; L638-L642 PolarHBondContact O-N 2.98Å
639	L	71	Confident	70.1	Confident	103 Å²	103	115 Å²	115	54%	0.539	63%	0.626	S	S	.	*	H	α-helix	trans	-69.8	-40.5	175.6	-126	145.8	0	0	0	111.2	N636 L642 I643	N636-L639 PolarHBondContact O-N 3.2Å; L639-L642 PolarHBondContact O-N 2.77Å; L639-I643 HydrophobicContact CD2-CD1 4.08Å; L639-I643 VanDerWaalsContact O-CG1 3.26Å; L639-I643 WeakPolarHBondContact O-CG1 3.49Å; L639-I643 PolarHBondContact O-N 3.29Å
640	V	77.4	Confident	70.4	Confident	81 Å²	81	125.2 Å²	125.2	49%	0.491	64%	0.642	S	S	.	*	H	α-helix	trans	-64.9	-40.3	173.6	173.2	0	0	0	0	111.4	N636 I643 L644	N636-V640 VanDerWaalsContact O-CG2 3.31Å; N636-V640 WeakPolarHBondContact O-CG2 3.11Å; N636-V640 PolarHBondContact O-N 2.96Å; N636-V640 VanDerWaalsContact O-N 3.08Å; V640-I643 PolarHBondContact O-N 3.09Å; V640-L644 HydrophobicContact CG1-CD1 3.91Å; V640-L644 WeakPolarHBondContact O-CB 3.44Å; V640-L644 PolarHBondContact O-N 3.03Å
641	L	78	Confident	71	Confident	106 Å²	106	126.3 Å²	126.3	56%	0.555	64%	0.639	S	S	*	*	H	α-helix	trans	-62.8	-44	176.4	-162.8	91.1	0	0	0	111.6	S637 L638 L644 I645	S637-L641 WeakPolarHBondContact O-CB 3.25Å; S637-L641 PolarHBondContact O-N 2.92Å; L638-L641 PolarHBondContact O-N 2.71Å; L641-L644 PolarHBondContact O-N 3.07Å; L641-I645 HydrophobicContact CD2-CD1 4.11Å; L641-I645 HydrophobicContact CG-CD1 4.13Å; L641-I645 VanDerWaalsContact O-CG1 3.26Å; L641-I645 WeakPolarHBondContact O-CG1 3.19Å; L641-I645 PolarHBondContact O-N 3.49Å
642	L	78.4	Confident	71.8	Confident	106 Å²	106	124.6 Å²	124.6	56%	0.555	63%	0.629	S	S	*	*	H	α-helix	trans	-63.8	-40	176.9	-78.7	162.9	0	0	0	112.1	L638 L639 I645 H646	L638-L642 HydrophobicContact CD2-CD1 4.16Å; L638-L642 WeakPolarHBondContact O-CG 3.25Å; L638-L642 PolarHBondContact O-N 2.98Å; L639-L642 PolarHBondContact O-N 2.77Å; L642-I645 PolarHBondContact O-N 3.11Å; L642-H646 WeakPolarHBondContact O-CB 3.29Å; L642-H646 PolarHBondContact O-N 3.25Å
643	I	80.4	Confident	72.6	Confident	92 Å²	92	123.1 Å²	123.1	47%	0.472	62%	0.62	S	S	.	*	H	α-helix	trans	-65.2	-42.3	175.3	-67.8	165.7	0	0	0	110.9	L639 V640 H646 I647	L639-I643 HydrophobicContact CD2-CD1 4.08Å; L639-I643 VanDerWaalsContact O-CG1 3.26Å; L639-I643 WeakPolarHBondContact O-CG1 3.49Å; L639-I643 PolarHBondContact O-N 3.29Å; V640-I643 PolarHBondContact O-N 3.09Å; I643-H646 PolarHBondContact O-N 3.05Å; I643-I647 HydrophobicContact CG2-CD1 3.95Å; I643-I647 WeakPolarHBondContact O-CG1 3.14Å; I643-I647 PolarHBondContact O-N 2.97Å
644	L	79.7	Confident	73.3	Confident	92 Å²	92	120.6 Å²	120.6	48%	0.482	61%	0.611	S	S	.	*	H	α-helix	trans	-62.7	-43.3	176.6	-90.7	156.1	0	0	0	112.5	V640 L641 H646 I647 L648	V640-L644 HydrophobicContact CG1-CD1 3.91Å; V640-L644 WeakPolarHBondContact O-CB 3.44Å; V640-L644 PolarHBondContact O-N 3.03Å; L641-L644 PolarHBondContact O-N 3.07Å; L644-H646 VanDerWaalsContact C-N 3.25Å; L644-H646 PolarHBondContact O-N 3Å; L644-I647 PolarHBondContact O-N 3.28Å; L644-L648 PolarHBondContact O-N 3.49Å
645	I	81.4	Confident	74.2	Confident	80 Å²	80	121.6 Å²	121.6	41%	0.41	61%	0.607	S	S	.	*	H	α-helix	trans	-62.6	-37.4	175.8	-67.9	164.5	0	0	0	110.3	L641 L642 L648 Y649	L641-I645 HydrophobicContact CD2-CD1 4.11Å; L641-I645 HydrophobicContact CG-CD1 4.13Å; L641-I645 VanDerWaalsContact O-CG1 3.26Å; L641-I645 WeakPolarHBondContact O-CG1 3.19Å; L641-I645 PolarHBondContact O-N 3.49Å; L642-I645 PolarHBondContact O-N 3.11Å; I645-L648 PolarHBondContact O-N 3.28Å; I645-Y649 HydrophobicContact CG2-CD2 4.24Å; I645-Y649 PolarHBondContact O-N 3.44Å
646	H	78.3	Confident	74.7	Confident	152 Å²	152	125.5 Å²	125.5	70%	0.704	62%	0.618	S	S	*	*	H	α-helix	trans	-71.6	-31	179.9	-137.8	9.1	0	0	0	113.3	L642 I643 L644	L642-H646 WeakPolarHBondContact O-CB 3.29Å; L642-H646 PolarHBondContact O-N 3.25Å; I643-H646 PolarHBondContact O-N 3.05Å; L644-H646 VanDerWaalsContact C-N 3.25Å; L644-H646 PolarHBondContact O-N 3Å
647	I	81.2	Confident	75.2	Confident	114 Å²	114	125.1 Å²	125.1	59%	0.585	61%	0.612	S	S	*	*	H	α-helix	trans	-73.4	-36	173.7	-65.6	166.3	0	0	0	111.1	I643 L644 Y649	I643-I647 HydrophobicContact CG2-CD1 3.95Å; I643-I647 WeakPolarHBondContact O-CG1 3.14Å; I643-I647 PolarHBondContact O-N 2.97Å; L644-I647 PolarHBondContact O-N 3.28Å; I647-Y649 VanDerWaalsContact C-N 3.29Å; I647-Y649 PolarHBondContact O-N 3.45Å
648	L	77.8	Confident	75.7	Confident	139 Å²	139	128.4 Å²	128.4	73%	0.728	62%	0.615	S	S	*	*	H	α-helix	trans	-72	-20.1	178.3	-83.4	158.2	0	0	0	114	L644 I645	L644-L648 PolarHBondContact O-N 3.49Å; I645-L648 PolarHBondContact O-N 3.28Å
649	Y	71.1	Confident	76.3	Confident	205 Å²	205	129.8 Å²	129.8	80%	0.804	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	4.7	179.4	-100.1	-86.4	0	0	0	114.4	I645 I647	I645-Y649 HydrophobicContact CG2-CD2 4.24Å; I645-Y649 PolarHBondContact O-N 3.44Å; I647-Y649 VanDerWaalsContact C-N 3.29Å; I647-Y649 PolarHBondContact O-N 3.45Å
650	R	61.1	Low	76.8	Confident	288 Å²	288	132.3 Å²	132.3	100%	1.087	63%	0.625	S	S	*	*			trans	-112.5	0	173.3	-124	-173.3	-174.8	-169.9	2	109.8

Retrieved 650 of 650 residues in 533.1 ms (Link to these results)

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