A0A087YDJ9_POEFO Loading...

Macrophage stimulating 1

AlphaFold DB , UniProt , Accession A0A087YDJ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 709 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.9	Very low	32.2	Very low	241 Å²	241	165.5 Å²	165.5	100%	1.187	85%	0.854	S	S	*	*				0	108.2	0	-80.2	167.9	68	0	0	109.8
2	K	28.6	Very low	32.1	Very low	207 Å²	207	161.8 Å²	161.8	90%	0.9	85%	0.845	S	S	*	*			trans	174.7	122.5	146.4	-98.8	177.6	-176	-176.1	0	106.8
3	P	37.8	Very low	31.9	Very low	121 Å²	121	154.1 Å²	154.1	79%	0.786	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-85.3	147.3	-173.3	33.8	-31.7	0	0	0	111.4
4	F	32.3	Very low	31.8	Very low	204 Å²	204	154.7 Å²	154.7	90%	0.895	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-76.3	122.8	169.9	-102.5	-99.3	0	0	0	109.6
5	L	32.8	Very low	31.9	Very low	156 Å²	156	153.6 Å²	153.6	82%	0.817	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-74.7	118	164.1	-113.5	82.8	0	0	0	108.2
6	L	31.3	Very low	32.4	Very low	159 Å²	159	151.1 Å²	151.1	83%	0.832	82%	0.823	S	S	*	*			trans	-90.1	111.3	167.4	-139.9	86.1	0	0	0	107.9	I8	L6-I8 PolarHBondContact O-N 3.2Å
7	C	28.4	Very low	33.5	Very low	117 Å²	117	145 Å²	145	79%	0.791	80%	0.798	S	S	*	*			trans	-71.3	118.2	169	-84.9	0	0	0	0	109.4	L9	C7-L9 PolarHBondContact O-N 2.9Å
8	I	31.2	Very low	35.3	Very low	148 Å²	148	144.9 Å²	144.9	76%	0.759	80%	0.795	S	S	*	*			trans	-81.1	108.1	167.7	-65.2	172.8	0	0	0	107.2	L6 L10	L6-I8 PolarHBondContact O-N 3.2Å; I8-L10 PolarHBondContact O-N 2.92Å
9	L	30.3	Very low	37.9	Very low	159 Å²	159	143.7 Å²	143.7	83%	0.832	78%	0.778	S	S	*	*			trans	-75.3	102.2	164.7	-90.9	151.3	0	0	0	108.1	C7 I11	C7-L9 PolarHBondContact O-N 2.9Å; L9-I11 PolarHBondContact O-N 3.05Å; L9-I11 VanDerWaalsContact O-N 3.12Å
10	L	28.8	Very low	40.5	Very low	151 Å²	151	137.2 Å²	137.2	79%	0.791	74%	0.743	S	S	*	*			trans	-66.9	99.9	163.3	-86.6	152.6	0	0	0	108.3	I8 T12	I8-L10 PolarHBondContact O-N 2.92Å; L10-T12 PolarHBondContact O-N 3.44Å
11	I	31.8	Very low	43	Very low	157 Å²	157	131.6 Å²	131.6	81%	0.805	71%	0.714	S	S	*	*			trans	-75.2	98.9	162.8	-59.8	174.2	0	0	0	106	L9 G13	L9-I11 PolarHBondContact O-N 3.05Å; L9-I11 VanDerWaalsContact O-N 3.12Å; I11-G13 PolarHBondContact O-N 3.14Å
12	T	30.6	Very low	45.5	Very low	122 Å²	122	120.6 Å²	120.6	75%	0.748	66%	0.66	S	S	*	*			trans	-66	97.2	165	49.2	0	0	0	0	107.9	L10 L14	L10-T12 PolarHBondContact O-N 3.44Å; T12-L14 PolarHBondContact O-N 2.88Å; T12-L14 VanDerWaalsContact O-N 3.15Å
13	G	29.8	Very low	48.6	Very low	61 Å²	61	110.8 Å²	110.8	63%	0.629	62%	0.618	S	S	*	*			trans	-66.7	106.5	168.7	0	0	0	0	0	109.3	I11 T15	I11-G13 PolarHBondContact O-N 3.14Å; G13-T15 PolarHBondContact O-N 3.21Å; G13-T15 VanDerWaalsContact O-N 3.07Å
14	L	31.2	Very low	51.2	Low	163 Å²	163	107.3 Å²	107.3	85%	0.853	59%	0.592	S	S	*	*			trans	-59.8	105	158	-84.5	142.2	0	0	0	106.8	T12 T16	T12-L14 PolarHBondContact O-N 2.88Å; T12-L14 VanDerWaalsContact O-N 3.15Å; L14-T16 PolarHBondContact O-N 3.49Å
15	T	32.6	Very low	54.2	Low	138 Å²	138	97.6 Å²	97.6	85%	0.847	55%	0.55	S	S	*	.			trans	-70.3	85.5	169.9	47.9	0	0	0	0	108	G13 A17	G13-T15 PolarHBondContact O-N 3.21Å; G13-T15 VanDerWaalsContact O-N 3.07Å; T15-A17 PolarHBondContact O-N 3.29Å
16	T	40.5	Very low	57.1	Low	114 Å²	114	92.2 Å²	92.2	70%	0.699	52%	0.521	S	S	*	.			trans	-61.4	115.4	160.7	47.1	0	0	0	0	107	L14 L18	L14-T16 PolarHBondContact O-N 3.49Å; T16-L18 PolarHBondContact O-N 3.28Å; T16-L18 VanDerWaalsContact O-N 3.13Å
17	A	50.5	Low	60	Low	47 Å²	47	87.6 Å²	87.6	39%	0.388	49%	0.492	S	S	.	.			trans	-50.7	120	172.3	0	0	0	0	0	108.9	T15 R19 P255	T15-A17 PolarHBondContact O-N 3.29Å; A17-R19 PolarHBondContact O-N 3.03Å; A17-P255 HydrophobicContact CB-CG 3.65Å
18	L	66.2	Low	63	Low	144 Å²	144	83.5 Å²	83.5	75%	0.754	47%	0.465	S	S	*	.			trans	-70.2	101	-179.8	-98.8	89.2	0	0	0	109	T16 S20	T16-L18 PolarHBondContact O-N 3.28Å; T16-L18 VanDerWaalsContact O-N 3.13Å; L18-S20 PolarHBondContact O-N 2.66Å
19	R	84	Confident	65.7	Low	122 Å²	122	83.7 Å²	83.7	46%	0.46	46%	0.462	S	S	.	.			trans	-58.6	124.8	163	178.2	-171.1	-178	-106.2	-4	108.6	A17 D24 E210	A17-R19 PolarHBondContact O-N 3.03Å; R19-D24 IonicContact CZ-OD1 3.89Å; R19-D24 IonicContact NH1-OD1 3.49Å; R19-D24 PolarHBondContact NH1-OD1 2.85Å; R19-D24 VanDerWaalsContact NH1-OD1 3.11Å; R19-D24 IonicContact NH1-OD2 3.73Å; R19-D24 IonicContact NH2-OD1 3.5Å; R19-D24 PolarHBondContact NH2-OD1 2.03Å; R19-E210 IonicContact CZ-OE1 2.92Å; R19-E210 IonicContact CZ-OE2 2.97Å; R19-E210 IonicContact NE-OE1 2.78Å; R19-E210 PolarHBondContact NE-OE1 2.67Å; R19-E210 IonicContact NE-OE2 3.97Å; R19-E210 PolarHBondContact NE-OE2 3.31Å; R19-E210 IonicContact NH2-OE1 3.26Å; R19-E210 PolarHBondContact NH2-OE1 3.45Å; R19-E210 IonicContact NH2-OE2 3.7Å; R19-E210 PolarHBondContact NH2-OE2 2.78Å
20	S	90.4	Very high	68.4	Low	12 Å²	12	76.8 Å²	76.8	8%	0.084	43%	0.43	C	S	.	.			trans	-68.9	135.4	175.9	172.9	0	0	0	0	111.1	L18 L22 N23 E52 Q216	L18-S20 PolarHBondContact O-N 2.66Å; S20-L22 PolarHBondContact O-N 3.21Å; S20-L22 WeakPolarHBondContact OG-CB 3.46Å; S20-L22 PolarHBondContact OG-N 3.09Å; S20-L22 VanDerWaalsContact OG-N 3.09Å; S20-N23 WeakPolarHBondContact O-CB 3.15Å; S20-N23 PolarHBondContact O-N 2.76Å; S20-E52 VanDerWaalsContact CA-OE1 3.24Å; S20-E52 WeakPolarHBondContact CA-OE1 3.45Å; S20-E52 VanDerWaalsContact OG-CD 3.24Å; S20-E52 PolarHBondContact OG-OE1 2.83Å; S20-E52 VanDerWaalsContact OG-OE1 3.05Å; S20-E52 PolarHBondContact OG-OE2 2.81Å; S20-Q216 PolarHBondContact OG-NE2 2.73Å
21	S	93	Very high	71.3	Confident	20 Å²	20	74.9 Å²	74.9	14%	0.14	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-68.4	-18.7	173.9	-59	0	0	0	0	111.9	N23 D24 Y25 E52 S56	S21-N23 PolarHBondContact O-N 3.43Å; S21-D24 PolarHBondContact O-N 3.37Å; S21-Y25 WeakPolarHBondContact O-CD2 3.36Å; S21-Y25 VanDerWaalsContact O-CE2 3.23Å; S21-Y25 WeakPolarHBondContact O-CE2 3.44Å; S21-E52 PolarHBondContact N-OE1 3.08Å; S21-S56 WeakPolarHBondContact OG-CA 3.31Å
22	L	93.6	Very high	74.2	Confident	10 Å²	10	68.6 Å²	68.6	5%	0.052	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-67	-18.6	176.6	-67.6	166.1	0	0	0	113	S20 D24 Y25 L51 E52 A55 F67 Y100 R213	S20-L22 PolarHBondContact O-N 3.21Å; S20-L22 WeakPolarHBondContact OG-CB 3.46Å; S20-L22 PolarHBondContact OG-N 3.09Å; S20-L22 VanDerWaalsContact OG-N 3.09Å; L22-D24 PolarHBondContact O-N 2.92Å; L22-Y25 PolarHBondContact O-N 2.99Å; L22-Y25 VanDerWaalsContact O-N 3.16Å; L22-L51 HydrophobicContact CD1-CD2 3.94Å; L22-L51 HydrophobicContact CD1-CG 3.98Å; L22-L51 HydrophobicContact CD2-CD1 3.97Å; L22-L51 HydrophobicContact CD2-CD2 4.26Å; L22-L51 HydrophobicContact CD2-CG 3.84Å; L22-E52 WeakPolarHBondContact CD1-OE2 3.2Å; L22-A55 HydrophobicContact CD2-CB 3.61Å; L22-A55 HydrophobicContact CG-CB 3.98Å; L22-F67 HydrophobicContact CD2-CZ 4.12Å; L22-Y100 HydrophobicContact CD2-CD1 4.06Å; L22-Y100 HydrophobicContact CD2-CE1 3.95Å; L22-R213 PolarHBondContact O-NH1 3.24Å
23	N	93.3	Very high	77.2	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.011	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-58.7	-30.3	173.9	-82	32.9	0	0	0	112.4	S20 S21 Y25 K103 E210 C211 R213 N237	S20-N23 WeakPolarHBondContact O-CB 3.15Å; S20-N23 PolarHBondContact O-N 2.76Å; S21-N23 PolarHBondContact O-N 3.43Å; N23-Y25 PolarHBondContact O-N 3.39Å; N23-K103 WeakPolarHBondContact O-CD 3Å; N23-K103 WeakPolarHBondContact O-CE 3.48Å; N23-K103 PolarHBondContact O-NZ 2.88Å; N23-E210 VanDerWaalsContact CB-OE1 3.29Å; N23-E210 WeakPolarHBondContact CB-OE1 3.28Å; N23-E210 VanDerWaalsContact ND2-CD 3.32Å; N23-E210 PolarHBondContact ND2-OE1 2.74Å; N23-E210 VanDerWaalsContact ND2-OE1 3.09Å; N23-C211 PolarHBondContact ND2-O 3.17Å; N23-R213 VanDerWaalsContact OD1-CG 3.31Å; N23-R213 WeakPolarHBondContact OD1-CG 3.1Å; N23-N237 PolarHBondContact ND2-ND2 3.28Å
24	D	92.4	Very high	80.1	Confident	47 Å²	47	61.9 Å²	61.9	25%	0.251	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-75.4	-8.2	-178	-58.5	-28.9	0	0	0	113	R19 S21 L22 S59 K102 K103	R19-D24 IonicContact CZ-OD1 3.89Å; R19-D24 IonicContact NH1-OD1 3.49Å; R19-D24 PolarHBondContact NH1-OD1 2.85Å; R19-D24 VanDerWaalsContact NH1-OD1 3.11Å; R19-D24 IonicContact NH1-OD2 3.73Å; R19-D24 IonicContact NH2-OD1 3.5Å; R19-D24 PolarHBondContact NH2-OD1 2.03Å; S21-D24 PolarHBondContact O-N 3.37Å; L22-D24 PolarHBondContact O-N 2.92Å; D24-S59 PolarHBondContact OD2-OG 3.16Å; D24-K102 CarbonylContact O-C 3.49Å; D24-K102 WeakPolarHBondContact O-CA 3.41Å; D24-K103 PolarHBondContact O-N 2.78Å
25	Y	94.8	Very high	82.7	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	142.5	-171.5	-58.8	-95.6	0	0	0	112.2	S21 L22 N23 A55 C58 S59 F67 E101 K102 K103 R213	S21-Y25 WeakPolarHBondContact O-CD2 3.36Å; S21-Y25 VanDerWaalsContact O-CE2 3.23Å; S21-Y25 WeakPolarHBondContact O-CE2 3.44Å; L22-Y25 PolarHBondContact O-N 2.99Å; L22-Y25 VanDerWaalsContact O-N 3.16Å; N23-Y25 PolarHBondContact O-N 3.39Å; Y25-A55 HydrophobicContact CD2-CB 4.34Å; Y25-A55 HydrophobicContact CE2-CB 4.04Å; Y25-A55 PolarHBondContact OH-O 3.33Å; Y25-C58 HydrophobicContact CE1-CB 4.36Å; Y25-C58 VanDerWaalsContact OH-C 3.25Å; Y25-C58 VanDerWaalsContact OH-CB 3.23Å; Y25-C58 WeakPolarHBondContact OH-CB 2.94Å; Y25-C58 PolarHBondContact OH-SG 2.97Å; Y25-S59 WeakPolarHBondContact CE2-OG 3.29Å; Y25-S59 WeakPolarHBondContact OH-CA 3.02Å; Y25-S59 PolarHBondContact OH-N 3.05Å; Y25-S59 PolarHBondContact OH-OG 3.07Å; Y25-F67 AromaticContact CD1-CD1 3.98Å; Y25-F67 HydrophobicContact CD1-CD1 3.98Å; Y25-F67 AromaticContact CD1-CE1 3.61Å; Y25-F67 HydrophobicContact CD1-CE1 3.61Å; Y25-F67 HydrophobicContact CD2-CE1 4.14Å; Y25-F67 AromaticContact CE1-CD1 3.72Å; Y25-F67 HydrophobicContact CE1-CD1 3.72Å; Y25-F67 AromaticContact CE1-CE1 3.61Å; Y25-F67 HydrophobicContact CE1-CE1 3.61Å; Y25-F67 HydrophobicContact CE2-CE1 4.15Å; Y25-F67 AromaticContact CG-CE1 3.9Å; Y25-F67 HydrophobicContact CG-CE1 3.9Å; Y25-F67 AromaticContact CZ-CE1 3.93Å; Y25-E101 CarbonylContact C-O 3.52Å; Y25-E101 VanDerWaalsContact CA-O 3.3Å; Y25-E101 WeakPolarHBondContact CA-O 3.46Å; Y25-K102 HydrophobicContact CD1-CG 3.86Å; Y25-K102 HydrophobicContact CE1-CB 4.4Å; Y25-K102 HydrophobicContact CE1-CD 4.32Å; Y25-K102 HydrophobicContact CE1-CG 3.33Å; Y25-K102 WeakPolarHBondContact OH-CE 3.43Å; Y25-K103 VanDerWaalsContact O-CE 3.29Å; Y25-K103 WeakPolarHBondContact O-CE 3.26Å; Y25-R213 PolarHBondContact O-NH1 3.45Å
26	Q	93.8	Very high	85.2	Confident	44 Å²	44	50.7 Å²	50.7	21%	0.206	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	125.1	166.4	-178.6	-178	-50.9	0	0	108.7	Y100 E101 K103 V106 D236	Q26-Y100 WeakPolarHBondContact O-CA 3.28Å; Q26-E101 PolarHBondContact N-O 3.22Å; Q26-E101 PolarHBondContact O-N 3.04Å; Q26-K103 HydrophobicContact CB-CG 4.1Å; Q26-V106 HydrophobicContact CB-CG2 4.34Å; Q26-D236 VanDerWaalsContact CA-OD2 3.32Å; Q26-D236 WeakPolarHBondContact CA-OD2 3.39Å
27	R	93.2	Very high	86.8	Confident	62 Å²	62	49.9 Å²	49.9	23%	0.234	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	137	178.8	-175.8	178.8	172.3	-155.9	-8.3	111.3	D98 L99 Y100 D215 D236	R27-D98 IonicContact CZ-OD2 2.85Å; R27-D98 VanDerWaalsContact CZ-OD2 3.24Å; R27-D98 IonicContact NE-OD2 3.79Å; R27-D98 PolarHBondContact NE-OD2 2.84Å; R27-D98 IonicContact NH2-OD2 3.99Å; R27-D98 PolarHBondContact NH2-OD2 3.26Å; R27-L99 CarbonylContact C-O 3.59Å; R27-L99 WeakPolarHBondContact CA-O 3.07Å; R27-Y100 HydrophobicContact CB-CD1 4.08Å; R27-Y100 HydrophobicContact CB-CE1 3.83Å; R27-Y100 WeakPolarHBondContact CD-OH 3.3Å; R27-Y100 HydrophobicContact CG-CD1 4.27Å; R27-Y100 HydrophobicContact CG-CE1 3.69Å; R27-Y100 HydrophobicContact CG-CE2 4.47Å; R27-Y100 PolarHBondContact NE-OH 3.02Å; R27-D215 IonicContact NH1-OD2 3.04Å; R27-D236 WeakPolarHBondContact CB-OD1 3.4Å; R27-D236 PolarHBondContact N-OD1 2.02Å; R27-D236 PolarHBondContact N-OD2 2.79Å
28	S	90.8	Very high	87.9	Confident	31 Å²	31	59.3 Å²	59.3	22%	0.217	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	103.6	166.9	-66	0	0	0	0	108.9	L99	S28-L99 PolarHBondContact N-O 2.61Å; S28-L99 PolarHBondContact O-N 2.85Å; S28-L99 VanDerWaalsContact O-N 3.11Å
29	E	87.7	Confident	88.6	Confident	151 Å²	151	53.6 Å²	53.6	71%	0.706	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	136.9	-176.8	-170.2	-175.9	-176.6	0	0	112.2	R31 D98	E29-R31 PolarHBondContact O-N 3.25Å; E29-D98 WeakPolarHBondContact CA-OD1 2.97Å
30	G	87	Confident	88	Confident	14 Å²	14	50.4 Å²	50.4	14%	0.144	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	64	28.6	177.2	0	0	0	0	0	113.3	N94 C97 D98	G30-N94 CarbonylContact C-O 3.49Å; G30-N94 WeakPolarHBondContact CA-O 3.29Å; G30-N94 CarbonylContact O-C 3.3Å; G30-N94 PolarHBondContact O-N 2.81Å; G30-C97 CarbonylContact C-O 3.37Å; G30-C97 VanDerWaalsContact CA-O 3.24Å; G30-C97 WeakPolarHBondContact CA-O 3.46Å; G30-C97 PolarHBondContact N-O 3.35Å; G30-D98 PolarHBondContact N-OD1 3.3Å
31	R	91.1	Very high	87.4	Confident	111 Å²	111	54.6 Å²	54.6	42%	0.419	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	146.8	-179.7	-62.9	-60.3	-174.4	152	0.9	110.1	E29 V91 K92 C97 D98 L99	E29-R31 PolarHBondContact O-N 3.25Å; R31-V91 HydrophobicContact CB-CG1 3.85Å; R31-V91 HydrophobicContact CG-CG1 4.08Å; R31-K92 VanDerWaalsContact CA-O 3.31Å; R31-K92 WeakPolarHBondContact CA-O 3.39Å; R31-C97 PolarHBondContact N-O 2.74Å; R31-C97 CarbonylContact O-C 3.58Å; R31-C97 VanDerWaalsContact O-O 3.05Å; R31-D98 CarbonylContact O-C 3.55Å; R31-L99 HydrophobicContact CB-CB 4.24Å; R31-L99 WeakPolarHBondContact O-CB 3.48Å; R31-L99 PolarHBondContact O-N 3.28Å
32	E	92.7	Very high	86.8	Confident	26 Å²	26	60.8 Å²	60.8	12%	0.121	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	136	173.8	-173.7	177.7	-167.2	0	0	109	V34 N68 K78 K92 N94 C97	E32-V34 HydrophobicContact CB-CG2 4.38Å; E32-V34 HydrophobicContact CG-CG2 4.11Å; E32-V34 PolarHBondContact O-N 3.11Å; E32-N68 HydrophobicContact CG-CB 4.26Å; E32-N68 VanDerWaalsContact CG-ND2 3.27Å; E32-N68 WeakPolarHBondContact CG-ND2 3.42Å; E32-K78 IonicContact OE1-NZ 3.68Å; E32-K78 PolarHBondContact OE1-NZ 3.12Å; E32-K92 PolarHBondContact N-O 3.43Å; E32-K92 PolarHBondContact O-N 3.45Å; E32-N94 HydrophobicContact CB-CB 3.85Å; E32-N94 PolarHBondContact OE2-ND2 3.5Å; E32-C97 HydrophobicContact CB-CB 4.24Å
33	L	92.9	Very high	86.3	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	109.1	169.4	-173.8	64.4	0	0	0	109	A66 N68 L80 W82 A84 A89 V91 L99	L33-A66 HydrophobicContact CD2-CB 3.96Å; L33-N68 PolarHBondContact N-OD1 3.37Å; L33-N68 PolarHBondContact O-ND2 3.47Å; L33-L80 HydrophobicContact CB-CD2 4.4Å; L33-L80 HydrophobicContact CD2-CD2 4.16Å; L33-L80 HydrophobicContact CG-CD2 4.19Å; L33-W82 WeakPolarHBondContact CD2-O 3.29Å; L33-A84 HydrophobicContact CD1-CB 4.04Å; L33-A89 HydrophobicContact CD1-CB 3.57Å; L33-A89 HydrophobicContact CD2-CB 4.18Å; L33-A89 HydrophobicContact CG-CB 3.67Å; L33-V91 HydrophobicContact CD1-CG2 3.97Å; L33-L99 HydrophobicContact CB-CD1 3.48Å; L33-L99 VanDerWaalsContact CB-CD1 3.48Å; L33-L99 HydrophobicContact CB-CD2 3.89Å; L33-L99 HydrophobicContact CB-CG 4.3Å; L33-L99 HydrophobicContact CD2-CD1 4.33Å; L33-L99 HydrophobicContact CG-CD1 4.5Å
34	V	90	Very high	85.9	Confident	42 Å²	42	67.4 Å²	67.4	26%	0.255	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	117.8	-176.8	-178.1	0	0	0	0	109	E32 A89 E90 K92	E32-V34 HydrophobicContact CB-CG2 4.38Å; E32-V34 HydrophobicContact CG-CG2 4.11Å; E32-V34 PolarHBondContact O-N 3.11Å; V34-A89 WeakPolarHBondContact O-CA 3.32Å; V34-E90 PolarHBondContact N-O 3.29Å; V34-E90 PolarHBondContact O-N 3.28Å; V34-K92 HydrophobicContact CB-CD 4.18Å; V34-K92 HydrophobicContact CB-CG 4.5Å; V34-K92 HydrophobicContact CG2-CB 4.1Å; V34-K92 HydrophobicContact CG2-CD 4.02Å; V34-K92 HydrophobicContact CG2-CG 4.23Å
35	P	86.9	Confident	85.6	Confident	18 Å²	18	69.8 Å²	69.8	12%	0.117	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	153.2	177	27.3	-32.9	0	0	0	111.9	N39 A40 M43 W82	P35-N39 HydrophobicContact CB-CB 4.06Å; P35-A40 HydrophobicContact CG-CB 4.46Å; P35-M43 VanDerWaalsContact CD-CE 3.47Å; P35-M43 HydrophobicContact CG-CE 3.59Å; P35-W82 HydrophobicContact CB-CH2 4.37Å; P35-W82 HydrophobicContact CB-CZ3 3.74Å
36	T	83.5	Confident	85.2	Confident	48 Å²	48	71 Å²	71	29%	0.294	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-63.8	158.1	169.9	57.7	0	0	0	0	110.8	W38 N39 A40 N88	T36-W38 PolarHBondContact O-N 2.89Å; T36-N39 WeakPolarHBondContact O-CA 3.25Å; T36-N39 PolarHBondContact O-N 3.43Å; T36-N39 PolarHBondContact OG1-ND2 3.07Å; T36-A40 PolarHBondContact O-N 3.34Å; T36-N88 PolarHBondContact N-O 3.08Å; T36-N88 PolarHBondContact OG1-O 2.59Å
37	A	75.9	Confident	84.6	Confident	96 Å²	96	74 Å²	74	79%	0.793	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-33.5	-171.4	0	0	0	0	0	114.1	N39	A37-N39 VanDerWaalsContact C-N 3.32Å
38	W	73.4	Confident	84	Confident	245 Å²	245	73.9 Å²	73.9	93%	0.928	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-18.6	178.8	-62.8	-5.9	0	0	0	113.8	T36	T36-W38 PolarHBondContact O-N 2.89Å
39	N	79.2	Confident	83.7	Confident	25 Å²	25	73 Å²	73	13%	0.134	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-10.6	-174.4	-83.8	-27.2	0	0	0	112.7	P35 T36 A37 A41 R42 W82 N88	P35-N39 HydrophobicContact CB-CB 4.06Å; T36-N39 WeakPolarHBondContact O-CA 3.25Å; T36-N39 PolarHBondContact O-N 3.43Å; T36-N39 PolarHBondContact OG1-ND2 3.07Å; A37-N39 VanDerWaalsContact C-N 3.32Å; N39-A41 PolarHBondContact O-N 3.3Å; N39-A41 VanDerWaalsContact O-N 3.08Å; N39-R42 PolarHBondContact O-N 3.21Å; N39-W82 HydrophobicContact CB-CH2 3.45Å; N39-W82 VanDerWaalsContact CB-CH2 3.45Å; N39-W82 HydrophobicContact CB-CZ2 3.79Å; N39-W82 HydrophobicContact CB-CZ3 4.09Å; N39-W82 VanDerWaalsContact O-CH2 3.32Å; N39-W82 WeakPolarHBondContact O-CH2 3.27Å; N39-N88 PolarHBondContact ND2-O 3.07Å; N39-N88 PolarHBondContact ND2-OD1 3.4Å
40	A	73.4	Confident	83.8	Confident	55 Å²	55	69.2 Å²	69.2	46%	0.455	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-54	-33.1	-177.7	0	0	0	0	0	114.2	P35 T36 R42 M43	P35-A40 HydrophobicContact CG-CB 4.46Å; T36-A40 PolarHBondContact O-N 3.34Å; A40-R42 VanDerWaalsContact C-N 3.25Å; A40-R42 PolarHBondContact O-N 2.69Å; A40-M43 PolarHBondContact O-N 3.36Å
41	A	76	Confident	83.9	Confident	100 Å²	100	70.6 Å²	70.6	83%	0.826	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-70.8	-13.6	-179.7	0	0	0	0	0	114.8	N39	N39-A41 PolarHBondContact O-N 3.3Å; N39-A41 VanDerWaalsContact O-N 3.08Å
42	R	80.4	Confident	84	Confident	150 Å²	150	68.4 Å²	68.4	57%	0.566	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-94.7	1.7	180	-62.7	176.9	61.8	-174	4.4	113.2	N39 A40 P81 W82	N39-R42 PolarHBondContact O-N 3.21Å; A40-R42 VanDerWaalsContact C-N 3.25Å; A40-R42 PolarHBondContact O-N 2.69Å; R42-P81 HydrophobicContact CB-CG 4.36Å; R42-W82 HydrophobicContact CB-CH2 3.83Å; R42-W82 HydrophobicContact CB-CZ2 4Å
43	M	83.6	Confident	83.9	Confident	42 Å²	42	71.2 Å²	71.2	21%	0.207	40%	0.399	C	S	.	.			trans	-78.5	130.5	172	-177.2	-169.2	-66.1	0	0	109.8	P35 A40 M45 K78 L80	P35-M43 VanDerWaalsContact CD-CE 3.47Å; P35-M43 HydrophobicContact CG-CE 3.59Å; A40-M43 PolarHBondContact O-N 3.36Å; M43-M45 HydrophobicContact SD-SD 3.85Å; M43-K78 HydrophobicContact CG-CB 4.03Å; M43-K78 HydrophobicContact SD-CB 3.83Å; M43-K78 HydrophobicContact SD-CD 3.65Å; M43-K78 HydrophobicContact SD-CG 4.3Å; M43-L80 HydrophobicContact CE-CD2 4.17Å
44	Q	86	Confident	84	Confident	108 Å²	108	71.2 Å²	71.2	51%	0.505	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	115.9	176.2	-174.6	178.2	8.3	0	0	110.6	L46 K78 H79	Q44-L46 HydrophobicContact CG-CD2 4.25Å; Q44-L46 HydrophobicContact CG-CG 4.25Å; Q44-K78 CarbonylContact O-C 3.55Å; Q44-K78 WeakPolarHBondContact O-CA 3.47Å; Q44-H79 HydrophobicContact CB-CB 4.29Å; Q44-H79 PolarHBondContact N-O 3Å; Q44-H79 PolarHBondContact O-N 2.82Å
45	M	85.4	Confident	84.2	Confident	98 Å²	98	69.2 Å²	69.2	48%	0.483	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	125.4	177.1	-65.2	-65.7	-64.6	0	0	110.7	M43 T76 K78	M43-M45 HydrophobicContact SD-SD 3.85Å; M45-T76 HydrophobicContact CE-CG2 3.45Å; M45-T76 VanDerWaalsContact CE-CG2 3.45Å; M45-K78 HydrophobicContact CE-CD 4.01Å; M45-K78 HydrophobicContact CE-CG 3.91Å; M45-K78 HydrophobicContact SD-CB 3.82Å; M45-K78 HydrophobicContact SD-CD 3.48Å; M45-K78 WeakPolarHBondContact SD-CD 3.27Å; M45-K78 HydrophobicContact SD-CG 3.4Å; M45-K78 WeakPolarHBondContact SD-CG 3.32Å
46	L	85.8	Confident	84.5	Confident	25 Å²	25	70.1 Å²	70.1	13%	0.131	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	91.5	-178.8	-62.8	169.5	0	0	0	109.3	Q44 L49 C77 H79	Q44-L46 HydrophobicContact CG-CD2 4.25Å; Q44-L46 HydrophobicContact CG-CG 4.25Å; L46-L49 HydrophobicContact CB-CD1 3.68Å; L46-L49 HydrophobicContact CB-CG 4.39Å; L46-L49 HydrophobicContact CD1-CD1 3.96Å; L46-L49 HydrophobicContact CG-CD1 4.38Å; L46-C77 HydrophobicContact CB-CB 4.15Å; L46-C77 PolarHBondContact N-O 3.39Å; L46-C77 WeakPolarHBondContact O-CB 3.39Å; L46-C77 PolarHBondContact O-N 3.35Å; L46-H79 VanDerWaalsContact CD1-CE1 3.47Å; L46-H79 WeakPolarHBondContact CD1-CE1 3.26Å
47	P	81.8	Confident	85	Confident	106 Å²	106	74 Å²	74	69%	0.688	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	146.9	-179.9	29.8	-33.4	0	0	0	111.5	L49	P47-L49 PolarHBondContact O-N 2.84Å
48	G	80	Confident	85.8	Confident	60 Å²	60	69.4 Å²	69.4	62%	0.619	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	10.3	168.5	0	0	0	0	0	115.9	G75	G48-G75 PolarHBondContact N-O 3.41Å
49	L	85.3	Confident	86.7	Confident	12 Å²	12	59.6 Å²	59.6	6%	0.063	33%	0.333	C	S	.	.			trans	-85.7	138.1	171.2	-62.3	179.3	0	0	0	110.8	L46 P47 E53 C54 Y69 C77	L46-L49 HydrophobicContact CB-CD1 3.68Å; L46-L49 HydrophobicContact CB-CG 4.39Å; L46-L49 HydrophobicContact CD1-CD1 3.96Å; L46-L49 HydrophobicContact CG-CD1 4.38Å; P47-L49 PolarHBondContact O-N 2.84Å; L49-E53 HydrophobicContact CB-CB 4.31Å; L49-E53 HydrophobicContact CD2-CB 4.22Å; L49-C54 HydrophobicContact CB-CB 4.4Å; L49-Y69 WeakPolarHBondContact O-CE2 3.25Å; L49-Y69 PolarHBondContact O-OH 3.32Å; L49-Y69 VanDerWaalsContact O-OH 3.09Å; L49-C77 HydrophobicContact CB-CB 4.31Å; L49-C77 HydrophobicContact CD1-CB 4.35Å
50	N	89.1	Confident	87.2	Confident	72 Å²	72	65.8 Å²	65.8	39%	0.385	36%	0.361	S	S	.	.			trans	-72.5	167.4	163.9	67.7	51.3	0	0	0	110.4	E52 E53 C54 Y69	N50-E52 PolarHBondContact O-N 2.87Å; N50-E52 PolarHBondContact OD1-N 3.4Å; N50-E53 PolarHBondContact N-OE2 3.08Å; N50-E53 PolarHBondContact ND2-OE1 3.47Å; N50-E53 PolarHBondContact O-N 2.61Å; N50-E53 WeakPolarHBondContact OD1-CB 3.4Å; N50-E53 WeakPolarHBondContact OD1-CG 3.41Å; N50-E53 PolarHBondContact OD1-N 2.88Å; N50-C54 WeakPolarHBondContact O-CB 3.38Å; N50-C54 PolarHBondContact O-N 3.37Å; N50-Y69 WeakPolarHBondContact CA-OH 3.21Å
51	L	90.4	Very high	87.9	Confident	43 Å²	43	64.8 Å²	64.8	23%	0.225	35%	0.351	C	S	.	.	H	α-helix	trans	-59.5	-43.4	-174.5	177.3	61.1	0	0	0	112.8	L22 C54 A55 F67 Y69 Y100	L22-L51 HydrophobicContact CD1-CD2 3.94Å; L22-L51 HydrophobicContact CD1-CG 3.98Å; L22-L51 HydrophobicContact CD2-CD1 3.97Å; L22-L51 HydrophobicContact CD2-CD2 4.26Å; L22-L51 HydrophobicContact CD2-CG 3.84Å; L51-C54 WeakPolarHBondContact O-CB 3.49Å; L51-C54 PolarHBondContact O-N 2.89Å; L51-A55 PolarHBondContact O-N 3.44Å; L51-F67 HydrophobicContact CD1-CE2 3.73Å; L51-F67 HydrophobicContact CD1-CZ 4.08Å; L51-Y69 HydrophobicContact CB-CD1 4.42Å; L51-Y69 HydrophobicContact CB-CE1 4.09Å; L51-Y69 HydrophobicContact CB-CE2 4.29Å; L51-Y69 HydrophobicContact CD1-CD1 4.04Å; L51-Y69 HydrophobicContact CD1-CD2 4.09Å; L51-Y69 HydrophobicContact CD1-CG 3.8Å; L51-Y69 PolarHBondContact N-OH 3.09Å; L51-Y100 HydrophobicContact CD1-CD2 4.27Å; L51-Y100 HydrophobicContact CD1-CE1 4.23Å; L51-Y100 HydrophobicContact CD1-CE2 3.66Å; L51-Y100 WeakPolarHBondContact CD2-OH 3.3Å
52	E	91.4	Very high	88.2	Confident	65 Å²	65	65.2 Å²	65.2	30%	0.304	34%	0.336	S	S	.	.	H	α-helix	trans	-66.2	-42.7	-179.5	-171.6	63.4	-146.3	0	0	111.4	S20 S21 L22 N50 C54 A55 S56	S20-E52 VanDerWaalsContact CA-OE1 3.24Å; S20-E52 WeakPolarHBondContact CA-OE1 3.45Å; S20-E52 VanDerWaalsContact OG-CD 3.24Å; S20-E52 PolarHBondContact OG-OE1 2.83Å; S20-E52 VanDerWaalsContact OG-OE1 3.05Å; S20-E52 PolarHBondContact OG-OE2 2.81Å; S21-E52 PolarHBondContact N-OE1 3.08Å; L22-E52 WeakPolarHBondContact CD1-OE2 3.2Å; N50-E52 PolarHBondContact O-N 2.87Å; N50-E52 PolarHBondContact OD1-N 3.4Å; E52-C54 PolarHBondContact O-N 2.03Å; E52-A55 PolarHBondContact O-N 2.94Å; E52-S56 VanDerWaalsContact O-CB 3.31Å; E52-S56 WeakPolarHBondContact O-CB 3.09Å; E52-S56 PolarHBondContact O-N 2.84Å
53	E	92.1	Very high	88.4	Confident	86 Å²	86	63.9 Å²	63.9	40%	0.402	34%	0.34	S	S	.	.	H	α-helix	trans	-63.8	-39.9	174.6	-74.4	168.3	-168.5	0	0	112.2	L49 N50 S56 R57	L49-E53 HydrophobicContact CB-CB 4.31Å; L49-E53 HydrophobicContact CD2-CB 4.22Å; N50-E53 PolarHBondContact N-OE2 3.08Å; N50-E53 PolarHBondContact ND2-OE1 3.47Å; N50-E53 PolarHBondContact O-N 2.61Å; N50-E53 WeakPolarHBondContact OD1-CB 3.4Å; N50-E53 WeakPolarHBondContact OD1-CG 3.41Å; N50-E53 PolarHBondContact OD1-N 2.88Å; E53-S56 PolarHBondContact O-N 2.75Å; E53-R57 WeakPolarHBondContact O-CB 3.44Å; E53-R57 WeakPolarHBondContact O-CG 3.44Å; E53-R57 PolarHBondContact O-N 3.03Å
54	C	93.4	Very high	88.8	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-61	-46.4	176	179.6	0	0	0	0	110.9	L49 N50 L51 E52 C58 F67 Y69 C77 H79	L49-C54 HydrophobicContact CB-CB 4.4Å; N50-C54 WeakPolarHBondContact O-CB 3.38Å; N50-C54 PolarHBondContact O-N 3.37Å; L51-C54 WeakPolarHBondContact O-CB 3.49Å; L51-C54 PolarHBondContact O-N 2.89Å; E52-C54 PolarHBondContact O-N 2.03Å; C54-C58 WeakPolarHBondContact O-CB 3.23Å; C54-C58 PolarHBondContact O-N 2.9Å; C54-F67 HydrophobicContact CB-CE2 4.45Å; C54-F67 WeakPolarHBondContact SG-CD2 3.32Å; C54-Y69 HydrophobicContact CB-CD2 4.26Å; C54-Y69 HydrophobicContact CB-CE2 4.41Å; C54-C77 HydrophobicContact CB-CB 3.7Å; C54-C77 WeakPolarHBondContact CB-SG 3.34Å; C54-C77 WeakPolarHBondContact SG-CB 3.46Å; C54-C77 CovalentContact SG-SG 2.02Å; C54-C77 PolarHBondContact SG-SG 3.34Å; C54-H79 PolarHBondContact O-NE2 3.01Å
55	A	94.5	Very high	89.1	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-64.2	-46.6	176.1	0	0	0	0	0	111.8	L22 Y25 L51 E52 R57 C58 S59 F67	L22-A55 HydrophobicContact CD2-CB 3.61Å; L22-A55 HydrophobicContact CG-CB 3.98Å; Y25-A55 HydrophobicContact CD2-CB 4.34Å; Y25-A55 HydrophobicContact CE2-CB 4.04Å; Y25-A55 PolarHBondContact OH-O 3.33Å; L51-A55 PolarHBondContact O-N 3.44Å; E52-A55 PolarHBondContact O-N 2.94Å; A55-R57 PolarHBondContact O-N 3.33Å; A55-C58 PolarHBondContact O-N 3.39Å; A55-C58 VanDerWaalsContact O-N 3.16Å; A55-S59 PolarHBondContact O-N 3.46Å; A55-S59 PolarHBondContact O-OG 3.33Å; A55-F67 HydrophobicContact CB-CE1 3.93Å; A55-F67 HydrophobicContact CB-CZ 3.89Å
56	S	94	Very high	89.6	Confident	36 Å²	36	55.1 Å²	55.1	25%	0.252	30%	0.295	S	S	.	.	H	α-helix	trans	-58.9	-46.6	179.7	-172.5	0	0	0	0	112.3	S21 E52 E53 C58 S59 Q60	S21-S56 WeakPolarHBondContact OG-CA 3.31Å; E52-S56 VanDerWaalsContact O-CB 3.31Å; E52-S56 WeakPolarHBondContact O-CB 3.09Å; E52-S56 PolarHBondContact O-N 2.84Å; E53-S56 PolarHBondContact O-N 2.75Å; S56-C58 PolarHBondContact O-N 2.9Å; S56-S59 PolarHBondContact O-N 3.05Å; S56-Q60 WeakPolarHBondContact O-CG 3.23Å; S56-Q60 PolarHBondContact O-N 2.91Å; S56-Q60 VanDerWaalsContact O-N 3.07Å
57	R	93.3	Very high	90.1	Very high	130 Å²	130	53.9 Å²	53.9	49%	0.491	29%	0.289	S	S	.	.	H	α-helix	trans	-65.5	-37.8	175.8	-70.1	-172.4	-170.2	-161.3	3.4	112.3	E53 A55 S59 Q60 S61	E53-R57 WeakPolarHBondContact O-CB 3.44Å; E53-R57 WeakPolarHBondContact O-CG 3.44Å; E53-R57 PolarHBondContact O-N 3.03Å; A55-R57 PolarHBondContact O-N 3.33Å; R57-S59 VanDerWaalsContact C-N 3.34Å; R57-Q60 PolarHBondContact O-N 2.84Å; R57-S61 WeakPolarHBondContact O-CB 3.29Å; R57-S61 PolarHBondContact O-N 3.4Å; R57-S61 VanDerWaalsContact O-N 3.07Å
58	C	94.3	Very high	90.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-66.6	-37.1	175.5	-177.4	0	0	0	0	111.3	Y25 C54 A55 S56 Q60 S61 C64 F67 H79 K102	Y25-C58 HydrophobicContact CE1-CB 4.36Å; Y25-C58 VanDerWaalsContact OH-C 3.25Å; Y25-C58 VanDerWaalsContact OH-CB 3.23Å; Y25-C58 WeakPolarHBondContact OH-CB 2.94Å; Y25-C58 PolarHBondContact OH-SG 2.97Å; C54-C58 WeakPolarHBondContact O-CB 3.23Å; C54-C58 PolarHBondContact O-N 2.9Å; A55-C58 PolarHBondContact O-N 3.39Å; A55-C58 VanDerWaalsContact O-N 3.16Å; S56-C58 PolarHBondContact O-N 2.9Å; C58-Q60 VanDerWaalsContact C-N 3.34Å; C58-Q60 PolarHBondContact O-N 3.26Å; C58-S61 PolarHBondContact O-N 3.11Å; C58-S61 VanDerWaalsContact O-O 3.11Å; C58-C64 HydrophobicContact CB-CB 3.92Å; C58-C64 WeakPolarHBondContact CB-SG 3.29Å; C58-C64 WeakPolarHBondContact SG-CB 3.44Å; C58-C64 CovalentContact SG-SG 2.03Å; C58-C64 PolarHBondContact SG-SG 3.2Å; C58-F67 HydrophobicContact CB-CD1 4.05Å; C58-H79 PolarHBondContact N-CE1 2.74Å; C58-H79 VanDerWaalsContact N-CE1 3.32Å; C58-K102 WeakPolarHBondContact O-CE 3.41Å; C58-K102 PolarHBondContact O-NZ 3.29Å
59	S	91.5	Very high	91.3	Very high	38 Å²	38	47.6 Å²	47.6	27%	0.266	23%	0.233	S	C	.	.	H	α-helix	trans	-67.7	-34.9	178	-70.3	0	0	0	0	112	D24 Y25 A55 S56 R57 S61	D24-S59 PolarHBondContact OD2-OG 3.16Å; Y25-S59 WeakPolarHBondContact CE2-OG 3.29Å; Y25-S59 WeakPolarHBondContact OH-CA 3.02Å; Y25-S59 PolarHBondContact OH-N 3.05Å; Y25-S59 PolarHBondContact OH-OG 3.07Å; A55-S59 PolarHBondContact O-N 3.46Å; A55-S59 PolarHBondContact O-OG 3.33Å; S56-S59 PolarHBondContact O-N 3.05Å; R57-S59 VanDerWaalsContact C-N 3.34Å; S59-S61 VanDerWaalsContact C-N 3.35Å
60	Q	89.1	Confident	91.5	Very high	155 Å²	155	49.2 Å²	49.2	72%	0.724	24%	0.24	S	C	*	.	H	α-helix	trans	-75.8	-22.4	175.1	-67.2	170	13	0	0	113.3	S56 R57 C58	S56-Q60 WeakPolarHBondContact O-CG 3.23Å; S56-Q60 PolarHBondContact O-N 2.91Å; S56-Q60 VanDerWaalsContact O-N 3.07Å; R57-Q60 PolarHBondContact O-N 2.84Å; C58-Q60 VanDerWaalsContact C-N 3.34Å; C58-Q60 PolarHBondContact O-N 3.26Å
61	S	88.7	Confident	91	Very high	35 Å²	35	49.9 Å²	49.9	25%	0.245	24%	0.243	C	C	.	.			trans	-82.3	126.9	177.5	178.6	0	0	0	0	111.5	R57 C58 S59 D63 C64 K102	R57-S61 WeakPolarHBondContact O-CB 3.29Å; R57-S61 PolarHBondContact O-N 3.4Å; R57-S61 VanDerWaalsContact O-N 3.07Å; C58-S61 PolarHBondContact O-N 3.11Å; C58-S61 VanDerWaalsContact O-O 3.11Å; S59-S61 VanDerWaalsContact C-N 3.35Å; S61-D63 VanDerWaalsContact C-N 3.29Å; S61-D63 PolarHBondContact OG-N 3.46Å; S61-C64 PolarHBondContact OG-N 3.43Å; S61-K102 PolarHBondContact O-NZ 2.76Å
62	Q	81.3	Confident	90.2	Very high	109 Å²	109	56.9 Å²	56.9	51%	0.509	27%	0.267	S	S	.	.	S	Bend	trans	-70.5	-28.7	174	-67.6	-171.2	-3.5	0	0	112.5	P147	Q62-P147 PolarHBondContact OE1-O 3.28Å
63	D	85.2	Confident	88.5	Confident	122 Å²	122	60.1 Å²	60.1	65%	0.652	29%	0.293	S	S	*	.	S	Bend	trans	-83.9	-20.9	-178.9	-71.8	-38.9	0	0	0	112.1	S61 P81	S61-D63 VanDerWaalsContact C-N 3.29Å; S61-D63 PolarHBondContact OG-N 3.46Å; D63-P81 WeakPolarHBondContact O-CA 3.03Å; D63-P81 WeakPolarHBondContact O-CB 3.46Å
64	C	92.2	Very high	87.3	Confident	3 Å²	3	60.6 Å²	60.6	2%	0.02	30%	0.302	C	S	.	.			trans	-81	123.5	-177.3	-168.2	0	0	0	0	111.8	C58 S61 A66 H79 K102	C58-C64 HydrophobicContact CB-CB 3.92Å; C58-C64 WeakPolarHBondContact CB-SG 3.29Å; C58-C64 WeakPolarHBondContact SG-CB 3.44Å; C58-C64 CovalentContact SG-SG 2.03Å; C58-C64 PolarHBondContact SG-SG 3.2Å; S61-C64 PolarHBondContact OG-N 3.43Å; C64-A66 PolarHBondContact SG-O 3.06Å; C64-A66 VanDerWaalsContact SG-O 3.38Å; C64-H79 HydrophobicContact CB-CB 4.48Å; C64-H79 VanDerWaalsContact SG-CG 3.56Å; C64-K102 WeakPolarHBondContact O-CD 3.39Å; C64-K102 WeakPolarHBondContact O-CE 3.01Å; C64-K102 PolarHBondContact O-NZ 3.17Å
65	R	93.1	Very high	86.3	Confident	60 Å²	60	61.5 Å²	61.5	23%	0.226	31%	0.311	C	S	.	.	S	Bend	trans	-116.8	-23.8	175.8	-56	-170.6	-167.6	-158.4	-8.1	113	L80 P81 V83 K102 Y105 E152	R65-L80 PolarHBondContact N-O 3.2Å; R65-P81 WeakPolarHBondContact CD-O 3.19Å; R65-P81 WeakPolarHBondContact CG-O 3.04Å; R65-P81 PolarHBondContact NE-O 2.94Å; R65-P81 VanDerWaalsContact NE-O 3.15Å; R65-V83 HydrophobicContact CB-CG1 4.04Å; R65-K102 WeakPolarHBondContact O-CB 3.33Å; R65-K102 WeakPolarHBondContact O-CG 3.16Å; R65-K102 PolarHBondContact O-N 2.86Å; R65-Y105 HydrophobicContact CB-CD2 4.33Å; R65-Y105 HydrophobicContact CB-CE2 4.4Å; R65-Y105 HydrophobicContact CG-CD2 4.35Å; R65-Y105 HydrophobicContact CG-CE1 4.36Å; R65-Y105 HydrophobicContact CG-CE2 4.02Å; R65-E152 IonicContact CZ-OE1 3.41Å; R65-E152 IonicContact CZ-OE2 2.87Å; R65-E152 IonicContact NH1-OE1 2.64Å; R65-E152 PolarHBondContact NH1-OE1 2.83Å; R65-E152 IonicContact NH1-OE2 2.76Å; R65-E152 PolarHBondContact NH1-OE2 3.11Å; R65-E152 IonicContact NH2-OE1 2.83Å; R65-E152 PolarHBondContact NH2-OE1 2.9Å; R65-E152 IonicContact NH2-OE2 3.36Å; R65-E152 PolarHBondContact NH2-OE2 3.25Å
66	A	95.5	Very high	85.9	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	163	173.8	0	0	0	0	0	110.1	L33 C64 L80 W82 L99 Y100 E101	L33-A66 HydrophobicContact CD2-CB 3.96Å; C64-A66 PolarHBondContact SG-O 3.06Å; C64-A66 VanDerWaalsContact SG-O 3.38Å; A66-L80 PolarHBondContact N-O 2.56Å; A66-L80 VanDerWaalsContact N-O 3.11Å; A66-L80 PolarHBondContact O-N 3.25Å; A66-W82 WeakPolarHBondContact CB-O 3.3Å; A66-L99 HydrophobicContact CB-CD1 4.24Å; A66-Y100 CarbonylContact C-O 3.56Å; A66-Y100 WeakPolarHBondContact CA-O 3.48Å; A66-Y100 WeakPolarHBondContact CB-O 3.14Å; A66-E101 HydrophobicContact CB-CB 4.4Å; A66-E101 HydrophobicContact CB-CG 3.95Å
67	F	95.6	Very high	85.8	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	146.5	167	67	-93.2	0	0	0	112.3	L22 Y25 L51 C54 A55 C58 K78 Y100	L22-F67 HydrophobicContact CD2-CZ 4.12Å; Y25-F67 AromaticContact CD1-CD1 3.98Å; Y25-F67 HydrophobicContact CD1-CD1 3.98Å; Y25-F67 AromaticContact CD1-CE1 3.61Å; Y25-F67 HydrophobicContact CD1-CE1 3.61Å; Y25-F67 HydrophobicContact CD2-CE1 4.14Å; Y25-F67 AromaticContact CE1-CD1 3.72Å; Y25-F67 HydrophobicContact CE1-CD1 3.72Å; Y25-F67 AromaticContact CE1-CE1 3.61Å; Y25-F67 HydrophobicContact CE1-CE1 3.61Å; Y25-F67 HydrophobicContact CE2-CE1 4.15Å; Y25-F67 AromaticContact CG-CE1 3.9Å; Y25-F67 HydrophobicContact CG-CE1 3.9Å; Y25-F67 AromaticContact CZ-CE1 3.93Å; L51-F67 HydrophobicContact CD1-CE2 3.73Å; L51-F67 HydrophobicContact CD1-CZ 4.08Å; C54-F67 HydrophobicContact CB-CE2 4.45Å; C54-F67 WeakPolarHBondContact SG-CD2 3.32Å; A55-F67 HydrophobicContact CB-CE1 3.93Å; A55-F67 HydrophobicContact CB-CZ 3.89Å; C58-F67 HydrophobicContact CB-CD1 4.05Å; F67-K78 CarbonylContact C-O 3.6Å; F67-K78 WeakPolarHBondContact CA-O 3.22Å; F67-K78 WeakPolarHBondContact CB-O 3.28Å; F67-Y100 AromaticContact CD2-CD2 3.91Å; F67-Y100 HydrophobicContact CD2-CD2 3.91Å; F67-Y100 HydrophobicContact CD2-CG 4.24Å; F67-Y100 VanDerWaalsContact CE1-CB 3.42Å; F67-Y100 HydrophobicContact CE1-CG 4.03Å; F67-Y100 HydrophobicContact CE2-CD1 4.34Å; F67-Y100 AromaticContact CE2-CD2 3.26Å; F67-Y100 HydrophobicContact CE2-CD2 3.26Å; F67-Y100 AromaticContact CE2-CE2 4Å; F67-Y100 HydrophobicContact CE2-CE2 4Å; F67-Y100 AromaticContact CE2-CG 3.48Å; F67-Y100 HydrophobicContact CE2-CG 3.48Å; F67-Y100 VanDerWaalsContact CE2-CG 3.48Å; F67-Y100 AromaticContact CZ-CD1 3.91Å; F67-Y100 HydrophobicContact CZ-CD1 3.91Å; F67-Y100 AromaticContact CZ-CD2 3.69Å; F67-Y100 HydrophobicContact CZ-CD2 3.69Å; F67-Y100 HydrophobicContact CZ-CE2 4.49Å; F67-Y100 AromaticContact CZ-CG 3.35Å; F67-Y100 HydrophobicContact CZ-CG 3.35Å; F67-Y100 PolarHBondContact N-O 2.91Å; F67-Y100 PolarHBondContact O-N 3.27Å
68	N	94.5	Very high	85.8	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	131.4	168.8	-68.6	-31	0	0	0	108.4	E32 L33 K78 L80 L99	E32-N68 HydrophobicContact CG-CB 4.26Å; E32-N68 VanDerWaalsContact CG-ND2 3.27Å; E32-N68 WeakPolarHBondContact CG-ND2 3.42Å; L33-N68 PolarHBondContact N-OD1 3.37Å; L33-N68 PolarHBondContact O-ND2 3.47Å; N68-K78 HydrophobicContact CB-CB 4.12Å; N68-K78 HydrophobicContact CB-CD 4.25Å; N68-K78 HydrophobicContact CB-CG 4.18Å; N68-K78 PolarHBondContact N-O 3.27Å; N68-K78 PolarHBondContact O-N 3.19Å; N68-L80 HydrophobicContact CB-CD1 4.41Å; N68-L99 WeakPolarHBondContact OD1-CD1 3.27Å
69	Y	93.5	Very high	85.8	Confident	33 Å²	33	56.1 Å²	56.1	13%	0.129	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	109.7	175.7	-165.7	-102	0	0	0	110	L49 N50 L51 C54 I71 C77 C97 D98	L49-Y69 WeakPolarHBondContact O-CE2 3.25Å; L49-Y69 PolarHBondContact O-OH 3.32Å; L49-Y69 VanDerWaalsContact O-OH 3.09Å; N50-Y69 WeakPolarHBondContact CA-OH 3.21Å; L51-Y69 HydrophobicContact CB-CD1 4.42Å; L51-Y69 HydrophobicContact CB-CE1 4.09Å; L51-Y69 HydrophobicContact CB-CE2 4.29Å; L51-Y69 HydrophobicContact CD1-CD1 4.04Å; L51-Y69 HydrophobicContact CD1-CD2 4.09Å; L51-Y69 HydrophobicContact CD1-CG 3.8Å; L51-Y69 PolarHBondContact N-OH 3.09Å; C54-Y69 HydrophobicContact CB-CD2 4.26Å; C54-Y69 HydrophobicContact CB-CE2 4.41Å; Y69-I71 HydrophobicContact CD1-CG1 4.5Å; Y69-C77 HydrophobicContact CD2-CB 4.39Å; Y69-C97 WeakPolarHBondContact O-CA 3.39Å; Y69-C97 PolarHBondContact O-SG 2.86Å; Y69-D98 PolarHBondContact N-O 2.85Å; Y69-D98 PolarHBondContact O-N 2.84Å
70	E	88.9	Confident	85.9	Confident	46 Å²	46	54.3 Å²	54.3	22%	0.215	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	127.1	177	-69.8	-177.9	174.2	0	0	110.9	G75 T76 K78 N96 C97	E70-G75 VanDerWaalsContact O-CA 3.31Å; E70-G75 WeakPolarHBondContact O-CA 3.24Å; E70-T76 PolarHBondContact N-O 3.4Å; E70-T76 PolarHBondContact O-N 2.92Å; E70-K78 WeakPolarHBondContact OE1-CE 3.36Å; E70-K78 IonicContact OE1-NZ 2.79Å; E70-K78 PolarHBondContact OE1-NZ 3.39Å; E70-N96 CarbonylContact C-O 3.46Å; E70-N96 WeakPolarHBondContact CA-O 2.99Å; E70-C97 HydrophobicContact CG-CB 4.27Å
71	I	79.3	Confident	85.9	Confident	87 Å²	87	47.7 Å²	47.7	45%	0.446	25%	0.246	S	C	.	.			trans	-89.4	-23.8	-169.9	-54	170.3	0	0	0	111.7	Y69 N96	Y69-I71 HydrophobicContact CD1-CG1 4.5Å; I71-N96 PolarHBondContact N-O 3.15Å
72	R	72.3	Confident	85.9	Confident	190 Å²	190	47 Å²	47	72%	0.717	24%	0.238	S	C	*	.	S	Bend	trans	-145.3	143.9	-179.2	-61.7	-176.9	-172.1	-131.4	-0	111
73	P	57.4	Low	86.2	Confident	133 Å²	133	42.2 Å²	42.2	86%	0.864	22%	0.217	S	C	*	.	S	Bend	cis	-90.1	-12.1	3.6	33.3	-32.2	0	0	0	114.8
74	V	66.4	Low	86.1	Confident	95 Å²	95	38.5 Å²	38.5	58%	0.576	20%	0.203	S	C	*	.	S	Bend	trans	-139.9	134.4	172.9	-177.6	0	0	0	0	107.8	T76	V74-T76 PolarHBondContact O-N 2.72Å; V74-T76 PolarHBondContact O-OG1 3.32Å
75	G	71.6	Confident	85.4	Confident	19 Å²	19	40.4 Å²	40.4	20%	0.196	21%	0.213	C	C	.	.			trans	-50.7	104.8	177.9	0	0	0	0	0	111.9	G48 E70	G48-G75 PolarHBondContact N-O 3.41Å; E70-G75 VanDerWaalsContact O-CA 3.31Å; E70-G75 WeakPolarHBondContact O-CA 3.24Å
76	T	86.5	Confident	84.2	Confident	23 Å²	23	40.2 Å²	40.2	14%	0.141	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	119.6	-178.9	-56.7	0	0	0	0	109.6	M45 E70 V74	M45-T76 HydrophobicContact CE-CG2 3.45Å; M45-T76 VanDerWaalsContact CE-CG2 3.45Å; E70-T76 PolarHBondContact N-O 3.4Å; E70-T76 PolarHBondContact O-N 2.92Å; V74-T76 PolarHBondContact O-N 2.72Å; V74-T76 PolarHBondContact O-OG1 3.32Å
77	C	92	Very high	83.4	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	126.2	179.4	173.2	0	0	0	0	109.1	L46 L49 C54 Y69 H79	L46-C77 HydrophobicContact CB-CB 4.15Å; L46-C77 PolarHBondContact N-O 3.39Å; L46-C77 WeakPolarHBondContact O-CB 3.39Å; L46-C77 PolarHBondContact O-N 3.35Å; L49-C77 HydrophobicContact CB-CB 4.31Å; L49-C77 HydrophobicContact CD1-CB 4.35Å; C54-C77 HydrophobicContact CB-CB 3.7Å; C54-C77 WeakPolarHBondContact CB-SG 3.34Å; C54-C77 WeakPolarHBondContact SG-CB 3.46Å; C54-C77 CovalentContact SG-SG 2.02Å; C54-C77 PolarHBondContact SG-SG 3.34Å; Y69-C77 HydrophobicContact CD2-CB 4.39Å; C77-H79 PolarHBondContact SG-CD2 3.38Å; C77-H79 PolarHBondContact SG-NE2 3.02Å
78	K	92.7	Very high	82.7	Confident	21 Å²	21	46.8 Å²	46.8	9%	0.091	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	110.2	174.7	-33.1	-176.3	-178.1	165.2	0	109	E32 M43 Q44 M45 F67 N68 E70 L80	E32-K78 IonicContact OE1-NZ 3.68Å; E32-K78 PolarHBondContact OE1-NZ 3.12Å; M43-K78 HydrophobicContact CG-CB 4.03Å; M43-K78 HydrophobicContact SD-CB 3.83Å; M43-K78 HydrophobicContact SD-CD 3.65Å; M43-K78 HydrophobicContact SD-CG 4.3Å; Q44-K78 CarbonylContact O-C 3.55Å; Q44-K78 WeakPolarHBondContact O-CA 3.47Å; M45-K78 HydrophobicContact CE-CD 4.01Å; M45-K78 HydrophobicContact CE-CG 3.91Å; M45-K78 HydrophobicContact SD-CB 3.82Å; M45-K78 HydrophobicContact SD-CD 3.48Å; M45-K78 WeakPolarHBondContact SD-CD 3.27Å; M45-K78 HydrophobicContact SD-CG 3.4Å; M45-K78 WeakPolarHBondContact SD-CG 3.32Å; F67-K78 CarbonylContact C-O 3.6Å; F67-K78 WeakPolarHBondContact CA-O 3.22Å; F67-K78 WeakPolarHBondContact CB-O 3.28Å; N68-K78 HydrophobicContact CB-CB 4.12Å; N68-K78 HydrophobicContact CB-CD 4.25Å; N68-K78 HydrophobicContact CB-CG 4.18Å; N68-K78 PolarHBondContact N-O 3.27Å; N68-K78 PolarHBondContact O-N 3.19Å; E70-K78 WeakPolarHBondContact OE1-CE 3.36Å; E70-K78 IonicContact OE1-NZ 2.79Å; E70-K78 PolarHBondContact OE1-NZ 3.39Å; K78-L80 WeakPolarHBondContact O-CD1 3.45Å
79	H	94.4	Very high	82.2	Confident	9 Å²	9	46.8 Å²	46.8	4%	0.042	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	137.3	176.1	-71.2	-178.9	0	0	0	110.5	Q44 L46 C54 C58 C64 C77	Q44-H79 HydrophobicContact CB-CB 4.29Å; Q44-H79 PolarHBondContact N-O 3Å; Q44-H79 PolarHBondContact O-N 2.82Å; L46-H79 VanDerWaalsContact CD1-CE1 3.47Å; L46-H79 WeakPolarHBondContact CD1-CE1 3.26Å; C54-H79 PolarHBondContact O-NE2 3.01Å; C58-H79 PolarHBondContact N-CE1 2.74Å; C58-H79 VanDerWaalsContact N-CE1 3.32Å; C64-H79 HydrophobicContact CB-CB 4.48Å; C64-H79 VanDerWaalsContact SG-CG 3.56Å; C77-H79 PolarHBondContact SG-CD2 3.38Å; C77-H79 PolarHBondContact SG-NE2 3.02Å
80	L	92.9	Very high	81.9	Confident	1 Å²	1	50 Å²	50	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	140.1	179.8	-61.8	102.8	0	0	0	110.9	L33 M43 R65 A66 N68 K78 W82	L33-L80 HydrophobicContact CB-CD2 4.4Å; L33-L80 HydrophobicContact CD2-CD2 4.16Å; L33-L80 HydrophobicContact CG-CD2 4.19Å; M43-L80 HydrophobicContact CE-CD2 4.17Å; R65-L80 PolarHBondContact N-O 3.2Å; A66-L80 PolarHBondContact N-O 2.56Å; A66-L80 VanDerWaalsContact N-O 3.11Å; A66-L80 PolarHBondContact O-N 3.25Å; N68-L80 HydrophobicContact CB-CD1 4.41Å; K78-L80 WeakPolarHBondContact O-CD1 3.45Å; L80-W82 VanDerWaalsContact C-N 3.26Å; L80-W82 HydrophobicContact CD2-CZ3 4.48Å; L80-W82 PolarHBondContact O-N 2.97Å
81	P	90.5	Very high	81.9	Confident	15 Å²	15	50.4 Å²	50.4	10%	0.097	29%	0.293	C	S	.	.	S	Bend	trans	-87.3	10.6	179.7	34.4	-33.7	0	0	0	115.2	R42 D63 R65	R42-P81 HydrophobicContact CB-CG 4.36Å; D63-P81 WeakPolarHBondContact O-CA 3.03Å; D63-P81 WeakPolarHBondContact O-CB 3.46Å; R65-P81 WeakPolarHBondContact CD-O 3.19Å; R65-P81 WeakPolarHBondContact CG-O 3.04Å; R65-P81 PolarHBondContact NE-O 2.94Å; R65-P81 VanDerWaalsContact NE-O 3.15Å
82	W	88.2	Confident	82.3	Confident	20 Å²	20	51.2 Å²	51.2	8%	0.076	29%	0.293	C	S	.	.			trans	-135.7	159	177.7	-32	-76.3	0	0	0	109.9	L33 P35 N39 R42 A66 L80 N88 A89	L33-W82 WeakPolarHBondContact CD2-O 3.29Å; P35-W82 HydrophobicContact CB-CH2 4.37Å; P35-W82 HydrophobicContact CB-CZ3 3.74Å; N39-W82 HydrophobicContact CB-CH2 3.45Å; N39-W82 VanDerWaalsContact CB-CH2 3.45Å; N39-W82 HydrophobicContact CB-CZ2 3.79Å; N39-W82 HydrophobicContact CB-CZ3 4.09Å; N39-W82 VanDerWaalsContact O-CH2 3.32Å; N39-W82 WeakPolarHBondContact O-CH2 3.27Å; R42-W82 HydrophobicContact CB-CH2 3.83Å; R42-W82 HydrophobicContact CB-CZ2 4Å; A66-W82 WeakPolarHBondContact CB-O 3.3Å; L80-W82 VanDerWaalsContact C-N 3.26Å; L80-W82 HydrophobicContact CD2-CZ3 4.48Å; L80-W82 PolarHBondContact O-N 2.97Å; W82-N88 HydrophobicContact CB-CB 4.15Å; W82-N88 HydrophobicContact CD2-CB 3.88Å; W82-N88 HydrophobicContact CE3-CB 4.48Å; W82-N88 HydrophobicContact CG-CB 3.71Å; W82-A89 HydrophobicContact CE3-CB 4.29Å
83	V	87.9	Confident	83.1	Confident	10 Å²	10	51.6 Å²	51.6	6%	0.061	30%	0.295	C	S	.	.			trans	-100	171.3	162.8	-63.9	0	0	0	0	108.7	R65 D85 E101 V106	R65-V83 HydrophobicContact CB-CG1 4.04Å; V83-D85 PolarHBondContact O-N 2.85Å; V83-D85 VanDerWaalsContact O-N 3.07Å; V83-E101 WeakPolarHBondContact CB-OE1 3.29Å; V83-E101 HydrophobicContact CG1-CB 4.19Å; V83-V106 HydrophobicContact CB-CG1 3.85Å; V83-V106 HydrophobicContact CG1-CG1 3.9Å; V83-V106 HydrophobicContact CG2-CG1 4.16Å
84	A	82.1	Confident	84.4	Confident	43 Å²	43	47.1 Å²	47.1	36%	0.355	26%	0.264	S	S	.	.	S	Bend	trans	-55.2	112.5	174.2	0	0	0	0	0	111.4	L33 V91 E101	L33-A84 HydrophobicContact CD1-CB 4.04Å; A84-V91 HydrophobicContact CB-CG2 3.41Å; A84-V91 VanDerWaalsContact CB-CG2 3.41Å; A84-E101 WeakPolarHBondContact CB-OE1 3.35Å; A84-E101 PolarHBondContact N-OE1 2.03Å
85	D	79.1	Confident	85.2	Confident	44 Å²	44	47.3 Å²	47.3	24%	0.235	27%	0.265	C	S	.	.			trans	-138.1	1.9	-179.8	70.8	3.3	0	0	0	114.6	V83 S87 N88 K120	V83-D85 PolarHBondContact O-N 2.85Å; V83-D85 VanDerWaalsContact O-N 3.07Å; D85-S87 PolarHBondContact O-N 2.95Å; D85-S87 VanDerWaalsContact O-N 3.07Å; D85-S87 PolarHBondContact OD1-N 3.24Å; D85-N88 PolarHBondContact OD1-N 3.05Å; D85-N88 PolarHBondContact OD2-ND2 2.85Å; D85-K120 IonicContact OD2-NZ 2.73Å
86	G	67.8	Low	85.9	Confident	55 Å²	55	50.4 Å²	50.4	57%	0.567	28%	0.277	S	S	*	.	S	Bend	trans	70.7	-6.1	179	0	0	0	0	0	115	A89	G86-A89 PolarHBondContact N-O 3.13Å
87	S	77.3	Confident	86	Confident	89 Å²	89	49.3 Å²	49.3	62%	0.622	27%	0.27	S	S	*	.	S	Bend	trans	-108.9	-45.1	-179	-56.2	0	0	0	0	111.5	D85	D85-S87 PolarHBondContact O-N 2.95Å; D85-S87 VanDerWaalsContact O-N 3.07Å; D85-S87 PolarHBondContact OD1-N 3.24Å
88	N	81.3	Confident	86	Confident	50 Å²	50	49.5 Å²	49.5	27%	0.267	27%	0.271	S	S	.	.	S	Bend	trans	-97.8	-36.4	-176.9	-65.8	-59.9	0	0	0	112.4	T36 N39 W82 D85	T36-N88 PolarHBondContact N-O 3.08Å; T36-N88 PolarHBondContact OG1-O 2.59Å; N39-N88 PolarHBondContact ND2-O 3.07Å; N39-N88 PolarHBondContact ND2-OD1 3.4Å; W82-N88 HydrophobicContact CB-CB 4.15Å; W82-N88 HydrophobicContact CD2-CB 3.88Å; W82-N88 HydrophobicContact CE3-CB 4.48Å; W82-N88 HydrophobicContact CG-CB 3.71Å; D85-N88 PolarHBondContact OD1-N 3.05Å; D85-N88 PolarHBondContact OD2-ND2 2.85Å
89	A	83.4	Confident	86.1	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	151.2	-179.5	0	0	0	0	0	111.8	L33 V34 W82 G86	L33-A89 HydrophobicContact CD1-CB 3.57Å; L33-A89 HydrophobicContact CD2-CB 4.18Å; L33-A89 HydrophobicContact CG-CB 3.67Å; V34-A89 WeakPolarHBondContact O-CA 3.32Å; W82-A89 HydrophobicContact CE3-CB 4.29Å; G86-A89 PolarHBondContact N-O 3.13Å
90	E	87.4	Confident	86.2	Confident	99 Å²	99	48.3 Å²	48.3	46%	0.463	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	140.2	-179.2	-68.3	-178.5	169.7	0	0	110.9	V34 K92	V34-E90 PolarHBondContact N-O 3.29Å; V34-E90 PolarHBondContact O-N 3.28Å; E90-K92 PolarHBondContact O-N 3.03Å
91	V	89.4	Confident	86.3	Confident	56 Å²	56	48.8 Å²	48.8	34%	0.339	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	118.2	174.8	-177.1	0	0	0	0	109.3	R31 L33 A84 L99	R31-V91 HydrophobicContact CB-CG1 3.85Å; R31-V91 HydrophobicContact CG-CG1 4.08Å; L33-V91 HydrophobicContact CD1-CG2 3.97Å; A84-V91 HydrophobicContact CB-CG2 3.41Å; A84-V91 VanDerWaalsContact CB-CG2 3.41Å; V91-L99 HydrophobicContact CG1-CD2 4.12Å; V91-L99 HydrophobicContact CG2-CD2 3.85Å
92	K	87.8	Confident	86.4	Confident	103 Å²	103	49.3 Å²	49.3	45%	0.448	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	157.3	175.9	-67.2	-172.9	-180	176.9	0	110.7	R31 E32 V34 E90	R31-K92 VanDerWaalsContact CA-O 3.31Å; R31-K92 WeakPolarHBondContact CA-O 3.39Å; E32-K92 PolarHBondContact N-O 3.43Å; E32-K92 PolarHBondContact O-N 3.45Å; V34-K92 HydrophobicContact CB-CD 4.18Å; V34-K92 HydrophobicContact CB-CG 4.5Å; V34-K92 HydrophobicContact CG2-CB 4.1Å; V34-K92 HydrophobicContact CG2-CD 4.02Å; V34-K92 HydrophobicContact CG2-CG 4.23Å; E90-K92 PolarHBondContact O-N 3.03Å
93	R	88.4	Confident	86.6	Confident	199 Å²	199	48.5 Å²	48.5	75%	0.751	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	126	174.3	-174	179.7	-179.6	-178	0.2	109.1
94	N	84.8	Confident	86.8	Confident	38 Å²	38	50 Å²	50	20%	0.203	28%	0.275	C	S	.	.			trans	-148.2	104.2	173.4	-176.9	-10.1	0	0	0	108.8	G30 E32 N96 C97	G30-N94 CarbonylContact C-O 3.49Å; G30-N94 WeakPolarHBondContact CA-O 3.29Å; G30-N94 CarbonylContact O-C 3.3Å; G30-N94 PolarHBondContact O-N 2.81Å; E32-N94 HydrophobicContact CB-CB 3.85Å; E32-N94 PolarHBondContact OE2-ND2 3.5Å; N94-N96 PolarHBondContact O-N 3.43Å; N94-N96 VanDerWaalsContact O-N 3.09Å; N94-N96 PolarHBondContact OD1-N 3.38Å; N94-N96 VanDerWaalsContact OD1-N 3.07Å; N94-C97 HydrophobicContact CB-CB 4.16Å; N94-C97 PolarHBondContact O-N 3.08Å; N94-C97 VanDerWaalsContact O-N 3.12Å
95	V	83.4	Confident	87.2	Confident	99 Å²	99	49.8 Å²	49.8	60%	0.6	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-13.3	-176.3	-63.9	0	0	0	0	114.2
96	N	86.8	Confident	87.8	Confident	84 Å²	84	49.3 Å²	49.3	45%	0.449	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	1.5	179.7	-61.8	-34.7	0	0	0	112.7	E70 I71 N94	E70-N96 CarbonylContact C-O 3.46Å; E70-N96 WeakPolarHBondContact CA-O 2.99Å; I71-N96 PolarHBondContact N-O 3.15Å; N94-N96 PolarHBondContact O-N 3.43Å; N94-N96 VanDerWaalsContact O-N 3.09Å; N94-N96 PolarHBondContact OD1-N 3.38Å; N94-N96 VanDerWaalsContact OD1-N 3.07Å
97	C	88.2	Confident	88.8	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	139.5	-174.2	-169.3	0	0	0	0	111.1	G30 R31 E32 Y69 E70 N94	G30-C97 CarbonylContact C-O 3.37Å; G30-C97 VanDerWaalsContact CA-O 3.24Å; G30-C97 WeakPolarHBondContact CA-O 3.46Å; G30-C97 PolarHBondContact N-O 3.35Å; R31-C97 PolarHBondContact N-O 2.74Å; R31-C97 CarbonylContact O-C 3.58Å; R31-C97 VanDerWaalsContact O-O 3.05Å; E32-C97 HydrophobicContact CB-CB 4.24Å; Y69-C97 WeakPolarHBondContact O-CA 3.39Å; Y69-C97 PolarHBondContact O-SG 2.86Å; E70-C97 HydrophobicContact CG-CB 4.27Å; N94-C97 HydrophobicContact CB-CB 4.16Å; N94-C97 PolarHBondContact O-N 3.08Å; N94-C97 VanDerWaalsContact O-N 3.12Å
98	D	92.4	Very high	89.3	Confident	5 Å²	5	50.6 Å²	50.6	3%	0.027	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	136.8	169.4	-74.1	-9.5	0	0	0	109.9	R27 E29 G30 R31 Y69 Y100	R27-D98 IonicContact CZ-OD2 2.85Å; R27-D98 VanDerWaalsContact CZ-OD2 3.24Å; R27-D98 IonicContact NE-OD2 3.79Å; R27-D98 PolarHBondContact NE-OD2 2.84Å; R27-D98 IonicContact NH2-OD2 3.99Å; R27-D98 PolarHBondContact NH2-OD2 3.26Å; E29-D98 WeakPolarHBondContact CA-OD1 2.97Å; G30-D98 PolarHBondContact N-OD1 3.3Å; R31-D98 CarbonylContact O-C 3.55Å; Y69-D98 PolarHBondContact N-O 2.85Å; Y69-D98 PolarHBondContact O-N 2.84Å; D98-Y100 HydrophobicContact CB-CD2 4.38Å; D98-Y100 HydrophobicContact CB-CE2 3.59Å
99	L	94.8	Very high	89.8	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	130.5	177.8	166.8	61.6	0	0	0	109.7	R27 S28 R31 L33 A66 N68 V91 E101	R27-L99 CarbonylContact C-O 3.59Å; R27-L99 WeakPolarHBondContact CA-O 3.07Å; S28-L99 PolarHBondContact N-O 2.61Å; S28-L99 PolarHBondContact O-N 2.85Å; S28-L99 VanDerWaalsContact O-N 3.11Å; R31-L99 HydrophobicContact CB-CB 4.24Å; R31-L99 WeakPolarHBondContact O-CB 3.48Å; R31-L99 PolarHBondContact O-N 3.28Å; L33-L99 HydrophobicContact CB-CD1 3.48Å; L33-L99 VanDerWaalsContact CB-CD1 3.48Å; L33-L99 HydrophobicContact CB-CD2 3.89Å; L33-L99 HydrophobicContact CB-CG 4.3Å; L33-L99 HydrophobicContact CD2-CD1 4.33Å; L33-L99 HydrophobicContact CG-CD1 4.5Å; A66-L99 HydrophobicContact CB-CD1 4.24Å; N68-L99 WeakPolarHBondContact OD1-CD1 3.27Å; V91-L99 HydrophobicContact CG1-CD2 4.12Å; V91-L99 HydrophobicContact CG2-CD2 3.85Å; L99-E101 HydrophobicContact CD1-CG 3.78Å; L99-E101 HydrophobicContact CD2-CG 4.1Å; L99-E101 HydrophobicContact CG-CG 3.84Å
100	Y	95.6	Very high	90.2	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.016	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	114.9	175.9	-66.4	-96.8	0	0	0	109.7	L22 Q26 R27 L51 A66 F67 D98	L22-Y100 HydrophobicContact CD2-CD1 4.06Å; L22-Y100 HydrophobicContact CD2-CE1 3.95Å; Q26-Y100 WeakPolarHBondContact O-CA 3.28Å; R27-Y100 HydrophobicContact CB-CD1 4.08Å; R27-Y100 HydrophobicContact CB-CE1 3.83Å; R27-Y100 WeakPolarHBondContact CD-OH 3.3Å; R27-Y100 HydrophobicContact CG-CD1 4.27Å; R27-Y100 HydrophobicContact CG-CE1 3.69Å; R27-Y100 HydrophobicContact CG-CE2 4.47Å; R27-Y100 PolarHBondContact NE-OH 3.02Å; L51-Y100 HydrophobicContact CD1-CD2 4.27Å; L51-Y100 HydrophobicContact CD1-CE1 4.23Å; L51-Y100 HydrophobicContact CD1-CE2 3.66Å; L51-Y100 WeakPolarHBondContact CD2-OH 3.3Å; A66-Y100 CarbonylContact C-O 3.56Å; A66-Y100 WeakPolarHBondContact CA-O 3.48Å; A66-Y100 WeakPolarHBondContact CB-O 3.14Å; F67-Y100 AromaticContact CD2-CD2 3.91Å; F67-Y100 HydrophobicContact CD2-CD2 3.91Å; F67-Y100 HydrophobicContact CD2-CG 4.24Å; F67-Y100 VanDerWaalsContact CE1-CB 3.42Å; F67-Y100 HydrophobicContact CE1-CG 4.03Å; F67-Y100 HydrophobicContact CE2-CD1 4.34Å; F67-Y100 AromaticContact CE2-CD2 3.26Å; F67-Y100 HydrophobicContact CE2-CD2 3.26Å; F67-Y100 AromaticContact CE2-CE2 4Å; F67-Y100 HydrophobicContact CE2-CE2 4Å; F67-Y100 AromaticContact CE2-CG 3.48Å; F67-Y100 HydrophobicContact CE2-CG 3.48Å; F67-Y100 VanDerWaalsContact CE2-CG 3.48Å; F67-Y100 AromaticContact CZ-CD1 3.91Å; F67-Y100 HydrophobicContact CZ-CD1 3.91Å; F67-Y100 AromaticContact CZ-CD2 3.69Å; F67-Y100 HydrophobicContact CZ-CD2 3.69Å; F67-Y100 HydrophobicContact CZ-CE2 4.49Å; F67-Y100 AromaticContact CZ-CG 3.35Å; F67-Y100 HydrophobicContact CZ-CG 3.35Å; F67-Y100 PolarHBondContact N-O 2.91Å; F67-Y100 PolarHBondContact O-N 3.27Å; D98-Y100 HydrophobicContact CB-CD2 4.38Å; D98-Y100 HydrophobicContact CB-CE2 3.59Å
101	E	95.3	Very high	90.2	Very high	12 Å²	12	45.8 Å²	45.8	6%	0.056	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	133	-178.7	-61.8	-179.2	97	0	0	110.4	Y25 Q26 A66 V83 A84 L99 K103 V106	Y25-E101 CarbonylContact C-O 3.52Å; Y25-E101 VanDerWaalsContact CA-O 3.3Å; Y25-E101 WeakPolarHBondContact CA-O 3.46Å; Q26-E101 PolarHBondContact N-O 3.22Å; Q26-E101 PolarHBondContact O-N 3.04Å; A66-E101 HydrophobicContact CB-CB 4.4Å; A66-E101 HydrophobicContact CB-CG 3.95Å; V83-E101 WeakPolarHBondContact CB-OE1 3.29Å; V83-E101 HydrophobicContact CG1-CB 4.19Å; A84-E101 WeakPolarHBondContact CB-OE1 3.35Å; A84-E101 PolarHBondContact N-OE1 2.03Å; L99-E101 HydrophobicContact CD1-CG 3.78Å; L99-E101 HydrophobicContact CD2-CG 4.1Å; L99-E101 HydrophobicContact CG-CG 3.84Å; E101-K103 PolarHBondContact O-N 3.36Å; E101-K103 VanDerWaalsContact O-N 3.14Å; E101-V106 HydrophobicContact CB-CG1 3.88Å
102	K	94.2	Very high	90.1	Very high	25 Å²	25	45.5 Å²	45.5	11%	0.109	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	120.8	179	-79.9	-173.2	179.2	169.5	0	110.1	D24 Y25 C58 S61 C64 R65 V104 Y105	D24-K102 CarbonylContact O-C 3.49Å; D24-K102 WeakPolarHBondContact O-CA 3.41Å; Y25-K102 HydrophobicContact CD1-CG 3.86Å; Y25-K102 HydrophobicContact CE1-CB 4.4Å; Y25-K102 HydrophobicContact CE1-CD 4.32Å; Y25-K102 HydrophobicContact CE1-CG 3.33Å; Y25-K102 WeakPolarHBondContact OH-CE 3.43Å; C58-K102 WeakPolarHBondContact O-CE 3.41Å; C58-K102 PolarHBondContact O-NZ 3.29Å; S61-K102 PolarHBondContact O-NZ 2.76Å; C64-K102 WeakPolarHBondContact O-CD 3.39Å; C64-K102 WeakPolarHBondContact O-CE 3.01Å; C64-K102 PolarHBondContact O-NZ 3.17Å; R65-K102 WeakPolarHBondContact O-CB 3.33Å; R65-K102 WeakPolarHBondContact O-CG 3.16Å; R65-K102 PolarHBondContact O-N 2.86Å; K102-V104 VanDerWaalsContact C-N 3.25Å; K102-V104 HydrophobicContact CB-CG2 4.3Å; K102-V104 PolarHBondContact O-N 2.93Å; K102-V104 VanDerWaalsContact O-N 3.17Å; K102-Y105 HydrophobicContact CB-CD2 3.74Å; K102-Y105 HydrophobicContact CB-CE2 4.35Å; K102-Y105 HydrophobicContact CD-CD2 4.4Å; K102-Y105 HydrophobicContact CD-CE2 4.16Å; K102-Y105 PolarHBondContact O-N 2.81Å
103	K	92.4	Very high	90.2	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.017	23%	0.225	C	C	.	.	H	α-helix	trans	-52.8	-41.1	-176.3	-79.7	168.4	173	169.4	0	112.8	N23 D24 Y25 Q26 E101 Y105 V106 R107 N237 Y238	N23-K103 WeakPolarHBondContact O-CD 3Å; N23-K103 WeakPolarHBondContact O-CE 3.48Å; N23-K103 PolarHBondContact O-NZ 2.88Å; D24-K103 PolarHBondContact O-N 2.78Å; Y25-K103 VanDerWaalsContact O-CE 3.29Å; Y25-K103 WeakPolarHBondContact O-CE 3.26Å; Q26-K103 HydrophobicContact CB-CG 4.1Å; E101-K103 PolarHBondContact O-N 3.36Å; E101-K103 VanDerWaalsContact O-N 3.14Å; K103-Y105 PolarHBondContact O-N 3.29Å; K103-Y105 VanDerWaalsContact O-N 3.07Å; K103-V106 PolarHBondContact O-N 2.74Å; K103-V106 VanDerWaalsContact O-N 3.1Å; K103-R107 HydrophobicContact CB-CG 4.28Å; K103-R107 VanDerWaalsContact O-CB 3.27Å; K103-R107 WeakPolarHBondContact O-CB 2.97Å; K103-R107 WeakPolarHBondContact O-CG 3.18Å; K103-R107 PolarHBondContact O-N 3.32Å; K103-N237 PolarHBondContact NZ-OD1 2.97Å; K103-Y238 WeakPolarHBondContact CE-OH 3.33Å
104	V	91.3	Very high	90.3	Very high	40 Å²	40	35.1 Å²	35.1	24%	0.242	19%	0.19	C	C	.	.	H	α-helix	trans	-57.8	-25	-179.8	-61.9	0	0	0	0	114.1	K102 D116 R118 G119	K102-V104 VanDerWaalsContact C-N 3.25Å; K102-V104 HydrophobicContact CB-CG2 4.3Å; K102-V104 PolarHBondContact O-N 2.93Å; K102-V104 VanDerWaalsContact O-N 3.17Å; V104-D116 WeakPolarHBondContact CB-O 3.35Å; V104-D116 HydrophobicContact CG1-CB 4.2Å; V104-R118 HydrophobicContact CB-CB 4.43Å; V104-R118 HydrophobicContact CB-CG 4.24Å; V104-R118 HydrophobicContact CG2-CB 4.39Å; V104-R118 HydrophobicContact CG2-CG 4.08Å; V104-R118 CarbonylContact O-C 3.49Å; V104-R118 VanDerWaalsContact O-CA 3.29Å; V104-R118 WeakPolarHBondContact O-CA 3.4Å; V104-R118 WeakPolarHBondContact O-CB 3.36Å; V104-R118 PolarHBondContact O-N 3.2Å; V104-G119 PolarHBondContact O-N 2.83Å
105	Y	90.9	Very high	90.6	Very high	39 Å²	39	38.5 Å²	38.5	15%	0.153	20%	0.204	C	C	.	.	H	α-helix	trans	-93.8	-23.8	178.7	-70.2	-82.4	0	0	0	113.7	R65 K102 K103 R118	R65-Y105 HydrophobicContact CB-CD2 4.33Å; R65-Y105 HydrophobicContact CB-CE2 4.4Å; R65-Y105 HydrophobicContact CG-CD2 4.35Å; R65-Y105 HydrophobicContact CG-CE1 4.36Å; R65-Y105 HydrophobicContact CG-CE2 4.02Å; K102-Y105 HydrophobicContact CB-CD2 3.74Å; K102-Y105 HydrophobicContact CB-CE2 4.35Å; K102-Y105 HydrophobicContact CD-CD2 4.4Å; K102-Y105 HydrophobicContact CD-CE2 4.16Å; K102-Y105 PolarHBondContact O-N 2.81Å; K103-Y105 PolarHBondContact O-N 3.29Å; K103-Y105 VanDerWaalsContact O-N 3.07Å; Y105-R118 HydrophobicContact CD1-CB 3.55Å; Y105-R118 HydrophobicContact CD1-CG 4.39Å; Y105-R118 HydrophobicContact CD2-CB 4.46Å; Y105-R118 HydrophobicContact CE1-CB 3.61Å; Y105-R118 HydrophobicContact CE1-CG 4.02Å; Y105-R118 HydrophobicContact CE2-CG 4.44Å; Y105-R118 HydrophobicContact CG-CB 4.01Å
106	V	90.3	Very high	90.9	Very high	34 Å²	34	37.3 Å²	37.3	21%	0.206	19%	0.194	C	C	.	.	H	α-helix	trans	-105	-21.8	-175.4	-61.8	0	0	0	0	113.8	Q26 V83 E101 K103	Q26-V106 HydrophobicContact CB-CG2 4.34Å; V83-V106 HydrophobicContact CB-CG1 3.85Å; V83-V106 HydrophobicContact CG1-CG1 3.9Å; V83-V106 HydrophobicContact CG2-CG1 4.16Å; E101-V106 HydrophobicContact CB-CG1 3.88Å; K103-V106 PolarHBondContact O-N 2.74Å; K103-V106 VanDerWaalsContact O-N 3.1Å
107	R	89	Confident	91.2	Very high	19 Å²	19	33.7 Å²	33.7	7%	0.072	18%	0.175	C	C	.	.			trans	-62.9	140.9	176.2	-79.4	178.3	168	168.2	-4.9	111.5	K103 Q201 D203	K103-R107 HydrophobicContact CB-CG 4.28Å; K103-R107 VanDerWaalsContact O-CB 3.27Å; K103-R107 WeakPolarHBondContact O-CB 2.97Å; K103-R107 WeakPolarHBondContact O-CG 3.18Å; K103-R107 PolarHBondContact O-N 3.32Å; R107-Q201 PolarHBondContact NH2-O 3.07Å; R107-D203 IonicContact CZ-OD1 2.98Å; R107-D203 IonicContact CZ-OD2 3.36Å; R107-D203 VanDerWaalsContact CZ-OD2 3.26Å; R107-D203 IonicContact NH1-OD1 3.77Å; R107-D203 IonicContact NH1-OD2 2.98Å; R107-D203 PolarHBondContact NH1-OD2 2.02Å; R107-D203 IonicContact NH2-OD1 2.99Å; R107-D203 PolarHBondContact NH2-OD1 2.87Å; R107-D203 IonicContact NH2-OD2 2.88Å; R107-D203 PolarHBondContact NH2-OD2 3.24Å
108	K	88.1	Confident	91.4	Very high	153 Å²	153	36 Å²	36	67%	0.665	18%	0.183	S	C	*	.	S	Bend	trans	-98.1	-9.3	176.9	-65.6	179.8	-177.6	175.7	0	113.1	I182 E188	K108-I182 WeakPolarHBondContact O-CG2 3.39Å; K108-E188 WeakPolarHBondContact CB-OE1 3.26Å
109	C	91.8	Very high	91.3	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.014	18%	0.183	C	C	.	.	S	Bend	trans	-115.7	171.2	178.7	58.9	0	0	0	0	112.5	P183 C185 E188	C109-P183 CarbonylContact C-O 3.55Å; C109-P183 WeakPolarHBondContact CA-O 3.21Å; C109-P183 HydrophobicContact CB-CG 4.39Å; C109-P183 VanDerWaalsContact CB-O 3.25Å; C109-P183 WeakPolarHBondContact CB-O 3.46Å; C109-C185 HydrophobicContact CB-CB 3.85Å; C109-C185 WeakPolarHBondContact CB-SG 3.25Å; C109-C185 WeakPolarHBondContact SG-CA 3.3Å; C109-C185 WeakPolarHBondContact SG-CB 3.42Å; C109-C185 CovalentContact SG-SG 2.03Å; C109-C185 PolarHBondContact SG-SG 3.42Å; C109-E188 HydrophobicContact CB-CB 4.26Å; C109-E188 WeakPolarHBondContact CB-OE2 3.36Å; C109-E188 PolarHBondContact SG-OE2 2.88Å
110	I	91.8	Very high	91.2	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.026	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-107.9	149.4	172.6	58.2	176.2	0	0	0	112.2	Y117 P166 I182 P183 Q184 C185	I110-Y117 HydrophobicContact CG2-CD2 3.72Å; I110-Y117 HydrophobicContact CG2-CE2 4.38Å; I110-Y117 HydrophobicContact CG2-CG 3.88Å; I110-P166 HydrophobicContact CG2-CG 3.82Å; I110-I182 HydrophobicContact CG2-CB 4.4Å; I110-I182 HydrophobicContact CG2-CG2 3.75Å; I110-P183 PolarHBondContact N-O 3.2Å; I110-Q184 VanDerWaalsContact CD1-NE2 3.33Å; I110-Q184 HydrophobicContact CG1-CG 4.49Å; I110-Q184 WeakPolarHBondContact O-CA 3.28Å; I110-Q184 PolarHBondContact O-OE1 2.79Å; I110-C185 PolarHBondContact O-N 3.01Å; I110-C185 PolarHBondContact O-SG 3.19Å; I110-C185 VanDerWaalsContact O-SG 3.35Å
111	V	87.7	Confident	91.2	Very high	41 Å²	41	42.3 Å²	42.3	25%	0.248	22%	0.215	C	C	.	.	S	Bend	trans	-106.3	133.8	167.3	-177.9	0	0	0	0	108.7	K113 G114 C185	V111-K113 PolarHBondContact O-N 3.06Å; V111-K113 VanDerWaalsContact O-N 3.12Å; V111-G114 PolarHBondContact O-N 3.03Å; V111-C185 HydrophobicContact CG2-CB 4.45Å
112	G	86.4	Confident	91.2	Very high	49 Å²	49	46.4 Å²	46.4	51%	0.505	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	-116.4	-177.3	0	0	0	0	0	111.3	Q184	G112-Q184 PolarHBondContact O-NE2 3.06Å; G112-Q184 PolarHBondContact O-OE1 3.16Å
113	K	90.5	Very high	91.3	Very high	84 Å²	84	47.8 Å²	47.8	37%	0.365	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-4.5	178.9	-57.9	-175	-169.2	169.8	0	114.1	V111 E115 N158 G161 G165	V111-K113 PolarHBondContact O-N 3.06Å; V111-K113 VanDerWaalsContact O-N 3.12Å; K113-E115 HydrophobicContact CB-CG 4.25Å; K113-N158 PolarHBondContact O-ND2 3.26Å; K113-G161 VanDerWaalsContact CD-O 3.27Å; K113-G161 WeakPolarHBondContact CD-O 3.33Å; K113-G161 PolarHBondContact NZ-O 3.42Å; K113-G161 VanDerWaalsContact NZ-O 3.07Å; K113-G165 WeakPolarHBondContact O-CA 3.14Å
114	G	90.4	Very high	91.5	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.01	24%	0.244	C	C	.	.			trans	67	33.6	-177.7	0	0	0	0	0	114.8	V111 D116 Y117	V111-G114 PolarHBondContact O-N 3.03Å; G114-D116 VanDerWaalsContact C-N 3.29Å; G114-Y117 VanDerWaalsContact O-CB 3.3Å; G114-Y117 WeakPolarHBondContact O-CB 3.25Å; G114-Y117 PolarHBondContact O-N 3.41Å
115	E	91.8	Very high	91.6	Very high	109 Å²	109	52 Å²	52	51%	0.509	26%	0.259	S	S	.	.	S	Bend	trans	-65.9	-33.7	175.1	-66.2	178.8	-130.5	0	0	111.8	K113 R118	K113-E115 HydrophobicContact CB-CG 4.25Å; E115-R118 PolarHBondContact O-NH1 3.4Å
116	D	89.9	Confident	91.8	Very high	73 Å²	73	53.7 Å²	53.7	39%	0.39	28%	0.277	S	S	.	.	S	Bend	trans	-88.1	-5.5	177.6	69.1	-30.5	0	0	0	113.3	V104 G114 R118	V104-D116 WeakPolarHBondContact CB-O 3.35Å; V104-D116 HydrophobicContact CG1-CB 4.2Å; G114-D116 VanDerWaalsContact C-N 3.29Å; D116-R118 WeakPolarHBondContact O-CG 3.3Å; D116-R118 PolarHBondContact O-N 2.83Å; D116-R118 PolarHBondContact O-NH1 2.95Å
117	Y	92.1	Very high	92	Very high	9 Å²	9	54.6 Å²	54.6	4%	0.035	29%	0.293	C	S	.	.			trans	-58.5	125.9	-179.3	178.5	-101.7	0	0	0	111.6	I110 G114 G119 V121 R157 P166 I182	I110-Y117 HydrophobicContact CG2-CD2 3.72Å; I110-Y117 HydrophobicContact CG2-CE2 4.38Å; I110-Y117 HydrophobicContact CG2-CG 3.88Å; G114-Y117 VanDerWaalsContact O-CB 3.3Å; G114-Y117 WeakPolarHBondContact O-CB 3.25Å; G114-Y117 PolarHBondContact O-N 3.41Å; Y117-G119 VanDerWaalsContact CZ-CA 3.43Å; Y117-G119 WeakPolarHBondContact OH-CA 3.28Å; Y117-V121 WeakPolarHBondContact OH-CG2 3.43Å; Y117-R157 VanDerWaalsContact O-CD 3.32Å; Y117-R157 WeakPolarHBondContact O-CD 3.32Å; Y117-P166 HydrophobicContact CD1-CB 4.49Å; Y117-P166 HydrophobicContact CD1-CG 4.17Å; Y117-P166 HydrophobicContact CG-CG 4.4Å; Y117-I182 HydrophobicContact CD1-CD1 4.09Å; Y117-I182 HydrophobicContact CE1-CD1 3.53Å; Y117-I182 HydrophobicContact CE2-CG2 4.05Å
118	R	92.7	Very high	92.3	Very high	47 Å²	47	55.8 Å²	55.8	18%	0.177	30%	0.3	C	S	.	.			trans	-124.5	18.2	177.4	-57.8	-62.2	176.1	-95.8	1.3	113.4	V104 Y105 E115 D116 R157	V104-R118 HydrophobicContact CB-CB 4.43Å; V104-R118 HydrophobicContact CB-CG 4.24Å; V104-R118 HydrophobicContact CG2-CB 4.39Å; V104-R118 HydrophobicContact CG2-CG 4.08Å; V104-R118 CarbonylContact O-C 3.49Å; V104-R118 VanDerWaalsContact O-CA 3.29Å; V104-R118 WeakPolarHBondContact O-CA 3.4Å; V104-R118 WeakPolarHBondContact O-CB 3.36Å; V104-R118 PolarHBondContact O-N 3.2Å; Y105-R118 HydrophobicContact CD1-CB 3.55Å; Y105-R118 HydrophobicContact CD1-CG 4.39Å; Y105-R118 HydrophobicContact CD2-CB 4.46Å; Y105-R118 HydrophobicContact CE1-CB 3.61Å; Y105-R118 HydrophobicContact CE1-CG 4.02Å; Y105-R118 HydrophobicContact CE2-CG 4.44Å; Y105-R118 HydrophobicContact CG-CB 4.01Å; E115-R118 PolarHBondContact O-NH1 3.4Å; D116-R118 WeakPolarHBondContact O-CG 3.3Å; D116-R118 PolarHBondContact O-N 2.83Å; D116-R118 PolarHBondContact O-NH1 2.95Å; R118-R157 PolarHBondContact O-NH2 3.48Å
119	G	91.2	Very high	92.8	Very high	3 Å²	3	51.4 Å²	51.4	3%	0.031	29%	0.287	C	S	.	.			trans	-65.7	175.9	176.5	0	0	0	0	0	113.8	V104 Y117 R157	V104-G119 PolarHBondContact O-N 2.83Å; Y117-G119 VanDerWaalsContact CZ-CA 3.43Å; Y117-G119 WeakPolarHBondContact OH-CA 3.28Å; G119-R157 PolarHBondContact O-NH1 2.89Å; G119-R157 PolarHBondContact O-NH2 3.23Å
120	K	92.2	Very high	93	Very high	94 Å²	94	51.4 Å²	51.4	41%	0.409	29%	0.287	S	S	.	.			trans	-103	15.2	-168.9	-60.9	-176.6	-179.9	-179.2	0	114.5	D85 F122 Y155	D85-K120 IonicContact OD2-NZ 2.73Å; K120-F122 WeakPolarHBondContact O-CD1 3.01Å; K120-F122 PolarHBondContact O-N 3.37Å; K120-Y155 HydrophobicContact CB-CD1 4.15Å; K120-Y155 HydrophobicContact CB-CE1 3.76Å; K120-Y155 HydrophobicContact CG-CE1 4.22Å; K120-Y155 HydrophobicContact CG-CE2 4.24Å; K120-Y155 VanDerWaalsContact O-CD1 3.3Å; K120-Y155 WeakPolarHBondContact O-CD1 3.28Å; K120-Y155 WeakPolarHBondContact O-CE1 3.41Å
121	V	94.3	Very high	93.3	Very high	45 Å²	45	51.4 Å²	51.4	27%	0.273	29%	0.287	S	S	.	.			trans	-63.8	127.3	176.3	175.7	0	0	0	0	109.1	Y117 Y155 C156 C180 I182	Y117-V121 WeakPolarHBondContact OH-CG2 3.43Å; V121-Y155 CarbonylContact O-C 3.48Å; V121-Y155 VanDerWaalsContact O-CA 3.27Å; V121-Y155 WeakPolarHBondContact O-CA 3.01Å; V121-C156 PolarHBondContact O-N 2.96Å; V121-C156 PolarHBondContact O-SG 3.06Å; V121-C180 HydrophobicContact CG1-CB 4.2Å; V121-I182 HydrophobicContact CB-CD1 4.27Å; V121-I182 HydrophobicContact CB-CG1 4.16Å; V121-I182 HydrophobicContact CG1-CD1 4.47Å; V121-I182 HydrophobicContact CG1-CG1 4.14Å; V121-I182 HydrophobicContact CG2-CG1 4.09Å
122	F	95.5	Very high	93.7	Very high	99 Å²	99	53.5 Å²	53.5	43%	0.434	29%	0.293	S	S	.	.			trans	-129.4	15.8	-176.8	64.7	-91.4	0	0	0	112.7	K120 T129 C130 Y155	K120-F122 WeakPolarHBondContact O-CD1 3.01Å; K120-F122 PolarHBondContact O-N 3.37Å; F122-T129 HydrophobicContact CD2-CG2 4.44Å; F122-C130 VanDerWaalsContact O-CB 3.3Å; F122-C130 WeakPolarHBondContact O-CB 3.28Å; F122-C130 PolarHBondContact O-N 3.39Å; F122-C130 PolarHBondContact O-SG 2.86Å; F122-Y155 HydrophobicContact CB-CD1 4.13Å
123	T	96.4	Very high	94.1	Very high	54 Å²	54	51.1 Å²	51.1	33%	0.331	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-125.4	141.9	178.1	51	0	0	0	0	110.8	L128	T123-L128 CarbonylContact C-O 3.59Å; T123-L128 VanDerWaalsContact CA-O 3.26Å; T123-L128 WeakPolarHBondContact CA-O 3.45Å
124	T	96.4	Very high	94.3	Very high	5 Å²	5	53.3 Å²	53.3	3%	0.031	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-77.5	171.4	178.6	73.9	0	0	0	0	111.4	S126 G127 L128 T170 E178	T124-S126 PolarHBondContact O-N 3.02Å; T124-S126 PolarHBondContact OG1-N 3.17Å; T124-S126 PolarHBondContact OG1-OG 3.45Å; T124-G127 PolarHBondContact O-N 2.79Å; T124-L128 HydrophobicContact CG2-CB 4.19Å; T124-L128 PolarHBondContact N-O 3.31Å; T124-L128 WeakPolarHBondContact OG1-CB 3.33Å; T124-L128 PolarHBondContact OG1-N 2.03Å; T124-L128 VanDerWaalsContact OG1-N 3.15Å; T124-T170 HydrophobicContact CG2-CG2 3.87Å; T124-E178 WeakPolarHBondContact CB-OE2 3.18Å; T124-E178 HydrophobicContact CG2-CB 3.93Å; T124-E178 HydrophobicContact CG2-CG 4.45Å; T124-E178 PolarHBondContact OG1-OE2 2.76Å
125	K	94.3	Very high	94.5	Very high	126 Å²	126	54.9 Å²	54.9	55%	0.548	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-28.4	176.5	66.8	176.7	176.9	-174.2	0	114.3	G127 E178 S179 N181	K125-G127 VanDerWaalsContact C-N 3.31Å; K125-E178 HydrophobicContact CD-CG 4.41Å; K125-E178 VanDerWaalsContact CE-OE1 3.26Å; K125-E178 WeakPolarHBondContact CE-OE1 3.06Å; K125-E178 HydrophobicContact CG-CG 3.93Å; K125-S179 WeakPolarHBondContact CD-OG 3.49Å; K125-S179 PolarHBondContact N-O 3.38Å; K125-N181 HydrophobicContact CB-CB 4.2Å
126	S	94.6	Very high	94.6	Very high	76 Å²	76	54.1 Å²	54.1	53%	0.531	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	5.3	175.7	74.2	0	0	0	0	113.2	T124 L128 E178	T124-S126 PolarHBondContact O-N 3.02Å; T124-S126 PolarHBondContact OG1-N 3.17Å; T124-S126 PolarHBondContact OG1-OG 3.45Å; S126-L128 WeakPolarHBondContact OG-CG 3.38Å; S126-E178 WeakPolarHBondContact CB-OE2 3.41Å; S126-E178 PolarHBondContact N-OE2 3.17Å; S126-E178 PolarHBondContact OG-OE2 3.49Å
127	G	94.7	Very high	94.8	Very high	53 Å²	53	58.3 Å²	58.3	55%	0.546	30%	0.296	S	S	.	.			trans	83.4	12.2	179.8	0	0	0	0	0	115	T124 K125	T124-G127 PolarHBondContact O-N 2.79Å; K125-G127 VanDerWaalsContact C-N 3.31Å
128	L	96.1	Very high	94.9	Very high	43 Å²	43	59.5 Å²	59.5	23%	0.225	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-75.2	140.8	176.7	-61.8	171.2	0	0	0	110.5	T123 T124 S126 T170 D172 R175	T123-L128 CarbonylContact C-O 3.59Å; T123-L128 VanDerWaalsContact CA-O 3.26Å; T123-L128 WeakPolarHBondContact CA-O 3.45Å; T124-L128 HydrophobicContact CG2-CB 4.19Å; T124-L128 PolarHBondContact N-O 3.31Å; T124-L128 WeakPolarHBondContact OG1-CB 3.33Å; T124-L128 PolarHBondContact OG1-N 2.03Å; T124-L128 VanDerWaalsContact OG1-N 3.15Å; S126-L128 WeakPolarHBondContact OG-CG 3.38Å; L128-T170 HydrophobicContact CB-CG2 4.46Å; L128-T170 HydrophobicContact CD1-CG2 4.21Å; L128-D172 HydrophobicContact CD1-CB 4.22Å; L128-D172 HydrophobicContact CD2-CB 4.24Å; L128-R175 HydrophobicContact CD1-CB 3.92Å; L128-R175 HydrophobicContact CD1-CG 3.83Å
129	T	97.3	Very high	95.1	Very high	62 Å²	62	58 Å²	58	38%	0.38	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-71.6	138	175.2	-57.8	0	0	0	0	110.2	F122 T170 T171	F122-T129 HydrophobicContact CD2-CG2 4.44Å; T129-T170 CarbonylContact O-C 3.48Å; T129-T170 WeakPolarHBondContact O-CA 3.36Å; T129-T171 HydrophobicContact CG2-CG2 4.23Å; T129-T171 PolarHBondContact O-N 2.79Å; T129-T171 PolarHBondContact O-OG1 2.85Å
130	C	97.8	Very high	95.2	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.014	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-73.5	140.5	175.6	-64.9	0	0	0	0	111.9	F122 N154 C168 Y169	F122-C130 VanDerWaalsContact O-CB 3.3Å; F122-C130 WeakPolarHBondContact O-CB 3.28Å; F122-C130 PolarHBondContact O-N 3.39Å; F122-C130 PolarHBondContact O-SG 2.86Å; C130-N154 HydrophobicContact CB-CB 3.82Å; C130-N154 WeakPolarHBondContact CB-O 3.44Å; C130-N154 VanDerWaalsContact O-CB 3.27Å; C130-N154 WeakPolarHBondContact O-CB 2.95Å; C130-N154 PolarHBondContact O-ND2 2.85Å; C130-C168 VanDerWaalsContact CA-SG 3.56Å; C130-C168 HydrophobicContact CB-CB 3.57Å; C130-C168 WeakPolarHBondContact CB-SG 3.4Å; C130-C168 WeakPolarHBondContact SG-CB 3.44Å; C130-C168 CovalentContact SG-SG 2.01Å; C130-C168 PolarHBondContact SG-SG 3.33Å; C130-Y169 CarbonylContact C-O 3.58Å; C130-Y169 VanDerWaalsContact CA-O 3.31Å; C130-Y169 WeakPolarHBondContact CA-O 3.44Å
131	Q	96.8	Very high	95.3	Very high	5 Å²	5	58.8 Å²	58.8	2%	0.023	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-69.7	142	164.8	176	-177.9	-41.2	0	0	109.7	S135 F137 H139 H141 N154 Y169	Q131-S135 PolarHBondContact NE2-O 2.84Å; Q131-F137 PolarHBondContact OE1-O 3.15Å; Q131-H139 PolarHBondContact NE2-O 2.74Å; Q131-H141 PolarHBondContact NE2-NE2 2.83Å; Q131-N154 WeakPolarHBondContact O-CB 3.29Å; Q131-Y169 PolarHBondContact N-O 3.3Å
132	Q	96.3	Very high	95.2	Very high	84 Å²	84	65.7 Å²	65.7	39%	0.393	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-65.8	137.7	175.1	-67.8	174.2	-18.4	0	0	111.1	W134 S135 L153 N154	Q132-W134 HydrophobicContact CB-CD2 4.03Å; Q132-W134 HydrophobicContact CB-CG 4.47Å; Q132-W134 HydrophobicContact CB-CH2 4.5Å; Q132-W134 HydrophobicContact CB-CZ2 3.95Å; Q132-W134 HydrophobicContact CG-CH2 4.33Å; Q132-W134 HydrophobicContact CG-CZ2 3.81Å; Q132-W134 PolarHBondContact O-N 3.47Å; Q132-W134 VanDerWaalsContact O-N 3.16Å; Q132-S135 VanDerWaalsContact O-CB 3.29Å; Q132-S135 WeakPolarHBondContact O-CB 3.48Å; Q132-S135 PolarHBondContact O-N 2.83Å; Q132-L153 CarbonylContact C-O 3.6Å; Q132-L153 WeakPolarHBondContact CA-O 3.49Å; Q132-N154 HydrophobicContact CB-CB 4.43Å; Q132-N154 HydrophobicContact CG-CB 3.95Å
133	W	95.6	Very high	95	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-21.9	-175.9	-68.4	107.3	0	0	0	114.1	H141 W143 P145 L151 L153 Y155 R157 W167 C168 Y169	W133-H141 PolarHBondContact O-CE1 3.21Å; W133-H141 VanDerWaalsContact O-CE1 3.26Å; W133-W143 HydrophobicContact CE3-CB 4.05Å; W133-W143 HydrophobicContact CZ3-CB 3.91Å; W133-P145 HydrophobicContact CB-CG 3.91Å; W133-P145 WeakPolarHBondContact O-CD 3.29Å; W133-L151 HydrophobicContact CB-CB 3.99Å; W133-L151 HydrophobicContact CD2-CB 4.19Å; W133-L151 HydrophobicContact CD2-CD1 4.31Å; W133-L151 HydrophobicContact CD2-CD2 3.93Å; W133-L151 HydrophobicContact CD2-CG 4.37Å; W133-L151 HydrophobicContact CE3-CD1 4.12Å; W133-L151 HydrophobicContact CE3-CD2 4.19Å; W133-L151 HydrophobicContact CG-CB 3.79Å; W133-L151 HydrophobicContact CG-CD2 4.41Å; W133-L151 HydrophobicContact CG-CG 4.48Å; W133-L151 HydrophobicContact CH2-CD2 4.35Å; W133-L151 HydrophobicContact CZ2-CD2 4.11Å; W133-L151 HydrophobicContact CZ3-CD2 4.38Å; W133-L153 PolarHBondContact N-O 2.81Å; W133-Y155 PolarHBondContact NE1-O 3.1Å; W133-R157 HydrophobicContact CZ2-CB 3.96Å; W133-R157 HydrophobicContact CZ2-CG 4.41Å; W133-W167 HydrophobicContact CH2-CE3 4.33Å; W133-W167 HydrophobicContact CH2-CH2 4.39Å; W133-W167 HydrophobicContact CH2-CZ3 4.13Å; W133-W167 HydrophobicContact CZ3-CH2 4.45Å; W133-W167 HydrophobicContact CZ3-CZ3 4.38Å; W133-C168 HydrophobicContact CZ2-CB 4.37Å; W133-Y169 HydrophobicContact CE3-CD2 4.26Å; W133-Y169 HydrophobicContact CE3-CE2 4.49Å; W133-Y169 HydrophobicContact CH2-CD2 4.44Å; W133-Y169 AromaticContact CZ3-CD2 3.78Å; W133-Y169 HydrophobicContact CZ3-CD2 3.78Å; W133-Y169 AromaticContact CZ3-CE2 3.83Å; W133-Y169 HydrophobicContact CZ3-CE2 3.83Å
134	W	93.6	Very high	94.7	Very high	130 Å²	130	64.4 Å²	64.4	49%	0.492	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-14.4	171.9	59.9	77.8	0	0	0	113.4	Q132 P145 L153	Q132-W134 HydrophobicContact CB-CD2 4.03Å; Q132-W134 HydrophobicContact CB-CG 4.47Å; Q132-W134 HydrophobicContact CB-CH2 4.5Å; Q132-W134 HydrophobicContact CB-CZ2 3.95Å; Q132-W134 HydrophobicContact CG-CH2 4.33Å; Q132-W134 HydrophobicContact CG-CZ2 3.81Å; Q132-W134 PolarHBondContact O-N 3.47Å; Q132-W134 VanDerWaalsContact O-N 3.16Å; W134-P145 HydrophobicContact CB-CG 4.19Å; W134-P145 HydrophobicContact CE3-CG 4.33Å; W134-L153 HydrophobicContact CH2-CB 4.27Å; W134-L153 HydrophobicContact CH2-CD2 3.45Å; W134-L153 VanDerWaalsContact CH2-CD2 3.45Å; W134-L153 HydrophobicContact CH2-CG 4.42Å; W134-L153 HydrophobicContact CZ3-CB 4.41Å; W134-L153 HydrophobicContact CZ3-CD2 3.86Å
135	S	95.5	Very high	94.5	Very high	33 Å²	33	66.9 Å²	66.9	23%	0.231	34%	0.339	C	S	.	.			trans	-76.4	142.4	177.8	-174.9	0	0	0	0	110.1	Q131 Q132 F137 H141	Q131-S135 PolarHBondContact NE2-O 2.84Å; Q132-S135 VanDerWaalsContact O-CB 3.29Å; Q132-S135 WeakPolarHBondContact O-CB 3.48Å; Q132-S135 PolarHBondContact O-N 2.83Å; S135-F137 PolarHBondContact OG-N 2.86Å; S135-F137 VanDerWaalsContact OG-N 3.16Å; S135-F137 PolarHBondContact OG-O 3.06Å; S135-H141 PolarHBondContact O-NE2 2.83Å
136	K	94.4	Very high	94.2	Very high	93 Å²	93	63.1 Å²	63.1	40%	0.404	33%	0.328	S	S	.	.			trans	-104.1	11.2	170.2	-57.4	-50.5	-160.7	177.1	0	113	H139 D140 H141 T144	K136-H139 CarbonylContact C-O 3.44Å; K136-H139 CarbonylContact O-C 3.35Å; K136-D140 WeakPolarHBondContact CD-OD1 3.37Å; K136-D140 IonicContact NZ-OD1 3.19Å; K136-D140 PolarHBondContact O-N 2.76Å; K136-H141 PolarHBondContact NZ-O 2.9Å; K136-T144 VanDerWaalsContact NZ-CG2 3.26Å
137	F	93.6	Very high	93.5	Very high	161 Å²	161	64.8 Å²	64.8	71%	0.706	34%	0.337	S	S	*	.	S	Bend	trans	-136.5	140.2	-177.5	-175.8	-89.8	0	0	0	110.8	Q131 S135 H139	Q131-F137 PolarHBondContact OE1-O 3.15Å; S135-F137 PolarHBondContact OG-N 2.86Å; S135-F137 VanDerWaalsContact OG-N 3.16Å; S135-F137 PolarHBondContact OG-O 3.06Å; F137-H139 VanDerWaalsContact C-N 3.32Å
138	P	94.4	Very high	92.9	Very high	34 Å²	34	67.1 Å²	67.1	22%	0.221	34%	0.341	C	S	.	.	S	Bend	cis	-70.5	-17.8	-1.2	28.4	-35.7	0	0	0	114.7	P173	P138-P173 HydrophobicContact CB-CG 4.31Å
139	H	95.9	Very high	92.4	Very high	16 Å²	16	67.2 Å²	67.2	7%	0.074	34%	0.342	C	S	.	.	S	Bend	trans	-110.6	120.6	-177.1	-58.8	-62.8	0	0	0	111.8	Q131 K136 F137 H141 Y169 T170 D172 P173 R176	Q131-H139 PolarHBondContact NE2-O 2.74Å; K136-H139 CarbonylContact C-O 3.44Å; K136-H139 CarbonylContact O-C 3.35Å; F137-H139 VanDerWaalsContact C-N 3.32Å; H139-H141 PolarHBondContact O-CD2 2.91Å; H139-H141 VanDerWaalsContact O-CD2 3.24Å; H139-Y169 HydrophobicContact CB-CD1 4.02Å; H139-T170 PolarHBondContact CD2-O 2.87Å; H139-D172 PolarHBondContact NE2-O 2.9Å; H139-P173 PolarHBondContact CE1-O 3.01Å; H139-R176 HydrophobicContact CB-CG 4.3Å; H139-R176 PolarHBondContact CD2-O 2.8Å
140	D	94.5	Very high	91.9	Very high	103 Å²	103	64.7 Å²	64.7	55%	0.551	33%	0.328	S	S	*	.			trans	-75.5	141.9	166.6	-173.5	12.6	0	0	0	110.2	K136 R176	K136-D140 WeakPolarHBondContact CD-OD1 3.37Å; K136-D140 IonicContact NZ-OD1 3.19Å; K136-D140 PolarHBondContact O-N 2.76Å; D140-R176 VanDerWaalsContact O-CZ 3.23Å; D140-R176 PolarHBondContact O-NH1 3.12Å; D140-R176 PolarHBondContact O-NH2 2.72Å
141	H	93.3	Very high	91.7	Very high	11 Å²	11	64.9 Å²	64.9	5%	0.051	33%	0.329	C	S	.	.			trans	-157.2	161.3	-174.8	57.3	78.2	0	0	0	114.8	Q131 W133 S135 K136 H139 W143 Y169	Q131-H141 PolarHBondContact NE2-NE2 2.83Å; W133-H141 PolarHBondContact O-CE1 3.21Å; W133-H141 VanDerWaalsContact O-CE1 3.26Å; S135-H141 PolarHBondContact O-NE2 2.83Å; K136-H141 PolarHBondContact NZ-O 2.9Å; H139-H141 PolarHBondContact O-CD2 2.91Å; H139-H141 VanDerWaalsContact O-CD2 3.24Å; H141-W143 PolarHBondContact CE1-O 2.78Å; H141-W143 PolarHBondContact ND1-O 3.03Å; H141-Y169 HydrophobicContact CB-CD1 4.32Å; H141-Y169 HydrophobicContact CB-CD2 4.13Å; H141-Y169 HydrophobicContact CB-CE1 3.67Å; H141-Y169 HydrophobicContact CB-CE2 3.42Å; H141-Y169 VanDerWaalsContact CB-CE2 3.42Å; H141-Y169 VanDerWaalsContact CB-OH 3.28Å; H141-Y169 WeakPolarHBondContact CB-OH 3.43Å; H141-Y169 AromaticContact CD2-CD2 3.33Å; H141-Y169 WeakPolarHBondContact CD2-CD2 3.46Å; H141-Y169 AromaticContact CD2-CE2 3.56Å; H141-Y169 AromaticContact CD2-CG 3.59Å; H141-Y169 AromaticContact CG-CD2 3.64Å; H141-Y169 AromaticContact CG-CE2 3.32Å; H141-Y169 AromaticContact CG-CZ 3.66Å; H141-Y169 AromaticContact ND1-CE2 3.75Å; H141-Y169 AromaticContact NE2-CD2 3.62Å
142	R	92.8	Very high	91.4	Very high	190 Å²	190	67 Å²	67	72%	0.717	34%	0.339	S	S	*	.	S	Bend	trans	-78.9	-22.9	-177.5	71.9	178.2	-178.7	-173.3	-2.4	115.6	T144	R142-T144 PolarHBondContact O-N 3.49Å
143	W	91.1	Very high	91.2	Very high	57 Å²	57	66.5 Å²	66.5	22%	0.216	34%	0.339	C	S	.	.			trans	-83.4	110.5	-174.7	-61.7	120.9	0	0	0	110.5	W133 H141 L151 P159 D160 W167	W133-W143 HydrophobicContact CE3-CB 4.05Å; W133-W143 HydrophobicContact CZ3-CB 3.91Å; H141-W143 PolarHBondContact CE1-O 2.78Å; H141-W143 PolarHBondContact ND1-O 3.03Å; W143-L151 HydrophobicContact CB-CD1 3.96Å; W143-P159 HydrophobicContact CD2-CB 3.87Å; W143-P159 HydrophobicContact CD2-CG 3.81Å; W143-P159 HydrophobicContact CE3-CB 3.77Å; W143-P159 HydrophobicContact CE3-CG 4.24Å; W143-P159 HydrophobicContact CG-CB 4.49Å; W143-P159 HydrophobicContact CG-CG 4.02Å; W143-P159 HydrophobicContact CH2-CB 4.1Å; W143-P159 WeakPolarHBondContact CH2-O 3.3Å; W143-P159 HydrophobicContact CZ2-CB 4.21Å; W143-P159 HydrophobicContact CZ2-CG 4.31Å; W143-P159 HydrophobicContact CZ3-CB 3.88Å; W143-D160 HydrophobicContact CZ2-CB 3.97Å; W143-W167 AromaticContact CD1-CH2 3.67Å; W143-W167 AromaticContact NE1-CH2 3.88Å; W143-W167 AromaticContact NE1-CZ2 3.82Å
144	T	89.3	Confident	91.2	Very high	68 Å²	68	67.7 Å²	67.7	42%	0.417	35%	0.345	S	S	.	.			trans	-121.2	149.1	178.9	51.9	0	0	0	0	111	K136 R142 S146 N149	K136-T144 VanDerWaalsContact NZ-CG2 3.26Å; R142-T144 PolarHBondContact O-N 3.49Å; T144-S146 PolarHBondContact O-N 3.45Å; T144-N149 PolarHBondContact O-ND2 3.21Å
145	P	92.3	Very high	91.4	Very high	57 Å²	57	63.2 Å²	63.2	37%	0.37	33%	0.328	S	S	.	.			trans	-54.8	132.7	178.9	-25.1	34.1	0	0	0	112.8	W133 W134 L151	W133-P145 HydrophobicContact CB-CG 3.91Å; W133-P145 WeakPolarHBondContact O-CD 3.29Å; W134-P145 HydrophobicContact CB-CG 4.19Å; W134-P145 HydrophobicContact CE3-CG 4.33Å; P145-L151 WeakPolarHBondContact CB-O 2.97Å; P145-L151 WeakPolarHBondContact CG-O 3.35Å
146	S	88.1	Confident	91.4	Very high	47 Å²	47	61.7 Å²	61.7	33%	0.329	32%	0.317	S	S	.	.			trans	-131.5	162.7	168.9	83.8	0	0	0	0	109.4	T144 T148 N149	T144-S146 PolarHBondContact O-N 3.45Å; S146-T148 PolarHBondContact O-N 3.44Å; S146-T148 VanDerWaalsContact O-N 3.11Å; S146-T148 PolarHBondContact OG-N 3Å; S146-T148 PolarHBondContact OG-OG1 3.12Å; S146-N149 PolarHBondContact N-ND2 2.91Å; S146-N149 PolarHBondContact N-OD1 3.11Å; S146-N149 PolarHBondContact O-OD1 3.12Å; S146-N149 WeakPolarHBondContact OG-CB 3.3Å; S146-N149 PolarHBondContact OG-N 3.15Å; S146-N149 VanDerWaalsContact OG-N 3.17Å; S146-N149 PolarHBondContact OG-ND2 3.42Å
147	P	80.4	Confident	91.5	Very high	111 Å²	111	57.4 Å²	57.4	72%	0.721	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-23.5	177.9	-25.6	35.5	0	0	0	114.2	Q62	Q62-P147 PolarHBondContact OE1-O 3.28Å
148	T	81.7	Confident	91.6	Very high	102 Å²	102	50 Å²	50	63%	0.626	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	-24.1	-173.8	50.8	0	0	0	0	114.5	S146	S146-T148 PolarHBondContact O-N 3.44Å; S146-T148 VanDerWaalsContact O-N 3.11Å; S146-T148 PolarHBondContact OG-N 3Å; S146-T148 PolarHBondContact OG-OG1 3.12Å
149	N	86.1	Confident	91.6	Very high	46 Å²	46	50.2 Å²	50.2	25%	0.246	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-9.4	-170.7	70.4	14	0	0	0	114.3	T144 S146 L151	T144-N149 PolarHBondContact O-ND2 3.21Å; S146-N149 PolarHBondContact N-ND2 2.91Å; S146-N149 PolarHBondContact N-OD1 3.11Å; S146-N149 PolarHBondContact O-OD1 3.12Å; S146-N149 WeakPolarHBondContact OG-CB 3.3Å; S146-N149 PolarHBondContact OG-N 3.15Å; S146-N149 VanDerWaalsContact OG-N 3.17Å; S146-N149 PolarHBondContact OG-ND2 3.42Å; N149-L151 HydrophobicContact CB-CG 4.31Å; N149-L151 WeakPolarHBondContact ND2-CD1 3.45Å; N149-L151 PolarHBondContact O-N 3.5Å; N149-L151 WeakPolarHBondContact OD1-CB 3.35Å; N149-L151 WeakPolarHBondContact OD1-CG 3.42Å; N149-L151 PolarHBondContact OD1-N 2.79Å; N149-L151 VanDerWaalsContact OD1-N 3.13Å
150	G	86.7	Confident	91.4	Very high	9 Å²	9	53.1 Å²	53.1	9%	0.093	28%	0.284	C	S	.	.			trans	64.4	17.9	175.3	0	0	0	0	0	114.9	E152 R157	G150-E152 PolarHBondContact O-N 3.26Å; G150-R157 PolarHBondContact O-NE 2.84Å
151	L	92.9	Very high	91.3	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.026	26%	0.264	C	S	.	.			trans	-74	70.9	176	-60.5	-177.9	0	0	0	110.5	W133 W143 P145 N149 R157 P159	W133-L151 HydrophobicContact CB-CB 3.99Å; W133-L151 HydrophobicContact CD2-CB 4.19Å; W133-L151 HydrophobicContact CD2-CD1 4.31Å; W133-L151 HydrophobicContact CD2-CD2 3.93Å; W133-L151 HydrophobicContact CD2-CG 4.37Å; W133-L151 HydrophobicContact CE3-CD1 4.12Å; W133-L151 HydrophobicContact CE3-CD2 4.19Å; W133-L151 HydrophobicContact CG-CB 3.79Å; W133-L151 HydrophobicContact CG-CD2 4.41Å; W133-L151 HydrophobicContact CG-CG 4.48Å; W133-L151 HydrophobicContact CH2-CD2 4.35Å; W133-L151 HydrophobicContact CZ2-CD2 4.11Å; W133-L151 HydrophobicContact CZ3-CD2 4.38Å; W143-L151 HydrophobicContact CB-CD1 3.96Å; P145-L151 WeakPolarHBondContact CB-O 2.97Å; P145-L151 WeakPolarHBondContact CG-O 3.35Å; N149-L151 HydrophobicContact CB-CG 4.31Å; N149-L151 WeakPolarHBondContact ND2-CD1 3.45Å; N149-L151 PolarHBondContact O-N 3.5Å; N149-L151 WeakPolarHBondContact OD1-CB 3.35Å; N149-L151 WeakPolarHBondContact OD1-CG 3.42Å; N149-L151 PolarHBondContact OD1-N 2.79Å; N149-L151 VanDerWaalsContact OD1-N 3.13Å; L151-R157 HydrophobicContact CD2-CB 3.59Å; L151-R157 HydrophobicContact CD2-CG 3.75Å; L151-P159 HydrophobicContact CD2-CB 4.45Å; L151-P159 HydrophobicContact CD2-CG 4.49Å
152	E	90.5	Very high	91.2	Very high	50 Å²	50	50.7 Å²	50.7	23%	0.234	27%	0.274	C	S	.	.			trans	-88.6	137.7	-179.2	-67.4	177.5	-151.8	0	0	111.4	R65 G150 N154 Y155	R65-E152 IonicContact CZ-OE1 3.41Å; R65-E152 IonicContact CZ-OE2 2.87Å; R65-E152 IonicContact NH1-OE1 2.64Å; R65-E152 PolarHBondContact NH1-OE1 2.83Å; R65-E152 IonicContact NH1-OE2 2.76Å; R65-E152 PolarHBondContact NH1-OE2 3.11Å; R65-E152 IonicContact NH2-OE1 2.83Å; R65-E152 PolarHBondContact NH2-OE1 2.9Å; R65-E152 IonicContact NH2-OE2 3.36Å; R65-E152 PolarHBondContact NH2-OE2 3.25Å; G150-E152 PolarHBondContact O-N 3.26Å; E152-N154 PolarHBondContact O-N 3.37Å; E152-Y155 HydrophobicContact CB-CD2 3.96Å; E152-Y155 HydrophobicContact CB-CE2 4.32Å; E152-Y155 VanDerWaalsContact O-CD2 3.23Å; E152-Y155 WeakPolarHBondContact O-CD2 3.33Å; E152-Y155 PolarHBondContact O-N 3.35Å; E152-Y155 VanDerWaalsContact O-N 3.1Å
153	L	93.3	Very high	91.1	Very high	74 Å²	74	52.2 Å²	52.2	39%	0.387	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.3	-125.4	179.4	-50.8	-169.5	0	0	0	112.2	Q132 W133 W134 Y155	Q132-L153 CarbonylContact C-O 3.6Å; Q132-L153 WeakPolarHBondContact CA-O 3.49Å; W133-L153 PolarHBondContact N-O 2.81Å; W134-L153 HydrophobicContact CH2-CB 4.27Å; W134-L153 HydrophobicContact CH2-CD2 3.45Å; W134-L153 VanDerWaalsContact CH2-CD2 3.45Å; W134-L153 HydrophobicContact CH2-CG 4.42Å; W134-L153 HydrophobicContact CZ3-CB 4.41Å; W134-L153 HydrophobicContact CZ3-CD2 3.86Å; L153-Y155 HydrophobicContact CB-CD2 4.19Å; L153-Y155 HydrophobicContact CB-CE2 4.02Å; L153-Y155 HydrophobicContact CD1-CE1 4.22Å; L153-Y155 HydrophobicContact CD1-CE2 3.78Å; L153-Y155 VanDerWaalsContact CD1-CZ 3.49Å; L153-Y155 VanDerWaalsContact CD1-OH 3.23Å; L153-Y155 WeakPolarHBondContact CD1-OH 3.48Å; L153-Y155 HydrophobicContact CG-CD2 4.46Å; L153-Y155 HydrophobicContact CG-CE2 3.85Å
154	N	95.8	Very high	91	Very high	24 Å²	24	55.3 Å²	55.3	13%	0.128	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	24.4	173.4	63.2	-24.7	0	0	0	111.1	C130 Q131 Q132 E152	C130-N154 HydrophobicContact CB-CB 3.82Å; C130-N154 WeakPolarHBondContact CB-O 3.44Å; C130-N154 VanDerWaalsContact O-CB 3.27Å; C130-N154 WeakPolarHBondContact O-CB 2.95Å; C130-N154 PolarHBondContact O-ND2 2.85Å; Q131-N154 WeakPolarHBondContact O-CB 3.29Å; Q132-N154 HydrophobicContact CB-CB 4.43Å; Q132-N154 HydrophobicContact CG-CB 3.95Å; E152-N154 PolarHBondContact O-N 3.37Å
155	Y	96.1	Very high	91.2	Very high	37 Å²	37	52.1 Å²	52.1	15%	0.145	28%	0.281	C	S	.	.			trans	-72.5	144.7	-176.4	-56.8	-45.5	0	0	0	111.6	K120 V121 F122 W133 E152 L153 R157	K120-Y155 HydrophobicContact CB-CD1 4.15Å; K120-Y155 HydrophobicContact CB-CE1 3.76Å; K120-Y155 HydrophobicContact CG-CE1 4.22Å; K120-Y155 HydrophobicContact CG-CE2 4.24Å; K120-Y155 VanDerWaalsContact O-CD1 3.3Å; K120-Y155 WeakPolarHBondContact O-CD1 3.28Å; K120-Y155 WeakPolarHBondContact O-CE1 3.41Å; V121-Y155 CarbonylContact O-C 3.48Å; V121-Y155 VanDerWaalsContact O-CA 3.27Å; V121-Y155 WeakPolarHBondContact O-CA 3.01Å; F122-Y155 HydrophobicContact CB-CD1 4.13Å; W133-Y155 PolarHBondContact NE1-O 3.1Å; E152-Y155 HydrophobicContact CB-CD2 3.96Å; E152-Y155 HydrophobicContact CB-CE2 4.32Å; E152-Y155 VanDerWaalsContact O-CD2 3.23Å; E152-Y155 WeakPolarHBondContact O-CD2 3.33Å; E152-Y155 PolarHBondContact O-N 3.35Å; E152-Y155 VanDerWaalsContact O-N 3.1Å; L153-Y155 HydrophobicContact CB-CD2 4.19Å; L153-Y155 HydrophobicContact CB-CE2 4.02Å; L153-Y155 HydrophobicContact CD1-CE1 4.22Å; L153-Y155 HydrophobicContact CD1-CE2 3.78Å; L153-Y155 VanDerWaalsContact CD1-CZ 3.49Å; L153-Y155 VanDerWaalsContact CD1-OH 3.23Å; L153-Y155 WeakPolarHBondContact CD1-OH 3.48Å; L153-Y155 HydrophobicContact CG-CD2 4.46Å; L153-Y155 HydrophobicContact CG-CE2 3.85Å; Y155-R157 VanDerWaalsContact CB-NH1 3.31Å; Y155-R157 PolarHBondContact O-N 3.03Å
156	C	96.1	Very high	91.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.264	C	S	.	.			trans	-62.6	132.3	178.5	-57.5	0	0	0	0	111.7	V121 P166 W167 C180 I182	V121-C156 PolarHBondContact O-N 2.96Å; V121-C156 PolarHBondContact O-SG 3.06Å; C156-P166 HydrophobicContact CB-CB 4.11Å; C156-W167 WeakPolarHBondContact CA-O 3.44Å; C156-C180 HydrophobicContact CB-CB 3.58Å; C156-C180 WeakPolarHBondContact CB-SG 3.35Å; C156-C180 WeakPolarHBondContact SG-CB 3.49Å; C156-C180 CovalentContact SG-SG 2.01Å; C156-C180 PolarHBondContact SG-SG 2.86Å; C156-I182 HydrophobicContact CB-CD1 4.05Å
157	R	96.4	Very high	91.8	Very high	3 Å²	3	47.8 Å²	47.8	1%	0.011	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-142.4	164.1	-177.2	-65.2	-67.2	-179.5	-95.1	3.9	110.2	Y117 R118 G119 W133 G150 L151 Y155 P159 P166 W167	Y117-R157 VanDerWaalsContact O-CD 3.32Å; Y117-R157 WeakPolarHBondContact O-CD 3.32Å; R118-R157 PolarHBondContact O-NH2 3.48Å; G119-R157 PolarHBondContact O-NH1 2.89Å; G119-R157 PolarHBondContact O-NH2 3.23Å; W133-R157 HydrophobicContact CZ2-CB 3.96Å; W133-R157 HydrophobicContact CZ2-CG 4.41Å; G150-R157 PolarHBondContact O-NE 2.84Å; L151-R157 HydrophobicContact CD2-CB 3.59Å; L151-R157 HydrophobicContact CD2-CG 3.75Å; Y155-R157 VanDerWaalsContact CB-NH1 3.31Å; Y155-R157 PolarHBondContact O-N 3.03Å; R157-P159 VanDerWaalsContact C-CD 3.43Å; R157-P159 WeakPolarHBondContact O-CD 3.17Å; R157-P166 WeakPolarHBondContact O-CA 3.34Å; R157-W167 PolarHBondContact N-O 3.33Å; R157-W167 PolarHBondContact O-N 3.29Å
158	N	95.4	Very high	92.6	Very high	6 Å²	6	42.5 Å²	42.5	3%	0.032	22%	0.216	C	C	.	.			trans	-123	67.9	177.9	-165.3	2.1	0	0	0	111.8	K113 D160 G161 D162 P166	K113-N158 PolarHBondContact O-ND2 3.26Å; N158-D160 PolarHBondContact O-N 2.72Å; N158-D160 PolarHBondContact OD1-OD1 3.23Å; N158-D160 VanDerWaalsContact OD1-OD1 3.1Å; N158-G161 PolarHBondContact O-N 2.8Å; N158-G161 PolarHBondContact OD1-N 3.32Å; N158-D162 PolarHBondContact ND2-N 3.46Å; N158-D162 PolarHBondContact ND2-O 2.92Å; N158-D162 PolarHBondContact OD1-N 3.04Å; N158-P166 HydrophobicContact CB-CB 4.49Å; N158-P166 HydrophobicContact CB-CG 4.46Å
159	P	94.1	Very high	93.4	Very high	39 Å²	39	38.5 Å²	38.5	25%	0.253	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-14	-174.1	30.7	-36.5	0	0	0	114.4	W143 L151 R157 W167	W143-P159 HydrophobicContact CD2-CB 3.87Å; W143-P159 HydrophobicContact CD2-CG 3.81Å; W143-P159 HydrophobicContact CE3-CB 3.77Å; W143-P159 HydrophobicContact CE3-CG 4.24Å; W143-P159 HydrophobicContact CG-CB 4.49Å; W143-P159 HydrophobicContact CG-CG 4.02Å; W143-P159 HydrophobicContact CH2-CB 4.1Å; W143-P159 WeakPolarHBondContact CH2-O 3.3Å; W143-P159 HydrophobicContact CZ2-CB 4.21Å; W143-P159 HydrophobicContact CZ2-CG 4.31Å; W143-P159 HydrophobicContact CZ3-CB 3.88Å; L151-P159 HydrophobicContact CD2-CB 4.45Å; L151-P159 HydrophobicContact CD2-CG 4.49Å; R157-P159 VanDerWaalsContact C-CD 3.43Å; R157-P159 WeakPolarHBondContact O-CD 3.17Å; P159-W167 HydrophobicContact CG-CZ2 4.08Å
160	D	92.3	Very high	93.9	Very high	76 Å²	76	36.3 Å²	36.3	41%	0.406	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	1.9	179.8	52	-7.3	0	0	0	114.2	W143 N158 D162 W167	W143-D160 HydrophobicContact CZ2-CB 3.97Å; N158-D160 PolarHBondContact O-N 2.72Å; N158-D160 PolarHBondContact OD1-OD1 3.23Å; N158-D160 VanDerWaalsContact OD1-OD1 3.1Å; D160-D162 VanDerWaalsContact C-N 3.31Å; D160-D162 PolarHBondContact O-N 2.69Å; D160-W167 PolarHBondContact OD1-NE1 3.44Å
161	G	91.9	Very high	94.4	Very high	13 Å²	13	39.3 Å²	39.3	13%	0.134	19%	0.194	C	C	.	.			trans	64.3	35.3	178.4	0	0	0	0	0	113.1	K113 N158	K113-G161 VanDerWaalsContact CD-O 3.27Å; K113-G161 WeakPolarHBondContact CD-O 3.33Å; K113-G161 PolarHBondContact NZ-O 3.42Å; K113-G161 VanDerWaalsContact NZ-O 3.07Å; N158-G161 PolarHBondContact O-N 2.8Å; N158-G161 PolarHBondContact OD1-N 3.32Å
162	D	92.5	Very high	94.6	Very high	50 Å²	50	41.6 Å²	41.6	27%	0.267	21%	0.206	S	C	.	.			trans	-57	137.3	175.1	-166.1	-35.3	0	0	0	109.8	N158 D160 I164 G165	N158-D162 PolarHBondContact ND2-N 3.46Å; N158-D162 PolarHBondContact ND2-O 2.92Å; N158-D162 PolarHBondContact OD1-N 3.04Å; D160-D162 VanDerWaalsContact C-N 3.31Å; D160-D162 PolarHBondContact O-N 2.69Å; D162-I164 PolarHBondContact O-N 3.46Å; D162-I164 WeakPolarHBondContact OD1-CB 3.4Å; D162-I164 WeakPolarHBondContact OD1-CG1 3.47Å; D162-I164 PolarHBondContact OD1-N 2.02Å; D162-G165 PolarHBondContact O-N 3.06Å
163	R	90	Very high	94.8	Very high	222 Å²	222	43.3 Å²	43.3	84%	0.838	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-22.5	178.6	-64.5	-177.5	178.7	-178.4	-1.4	112.7	G165	R163-G165 VanDerWaalsContact C-N 3.29Å
164	I	90	Very high	94.9	Very high	122 Å²	122	48 Å²	48	63%	0.626	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-28.1	177.9	-61.1	173.7	0	0	0	110.7	D162	D162-I164 PolarHBondContact O-N 3.46Å; D162-I164 WeakPolarHBondContact OD1-CB 3.4Å; D162-I164 WeakPolarHBondContact OD1-CG1 3.47Å; D162-I164 PolarHBondContact OD1-N 2.02Å
165	G	93.1	Very high	94.8	Very high	2 Å²	2	51.5 Å²	51.5	2%	0.021	25%	0.253	C	S	.	.			trans	109.6	-163.9	-179.7	0	0	0	0	0	113.2	K113 D162 R163	K113-G165 WeakPolarHBondContact O-CA 3.14Å; D162-G165 PolarHBondContact O-N 3.06Å; R163-G165 VanDerWaalsContact C-N 3.29Å
166	P	96.8	Very high	94.8	Very high	3 Å²	3	55 Å²	55	2%	0.019	27%	0.266	C	S	.	.			trans	-63.9	143.3	-174.4	-20	30.9	0	0	0	113.7	I110 Y117 C156 R157 N158 C180 I182	I110-P166 HydrophobicContact CG2-CG 3.82Å; Y117-P166 HydrophobicContact CD1-CB 4.49Å; Y117-P166 HydrophobicContact CD1-CG 4.17Å; Y117-P166 HydrophobicContact CG-CG 4.4Å; C156-P166 HydrophobicContact CB-CB 4.11Å; R157-P166 WeakPolarHBondContact O-CA 3.34Å; N158-P166 HydrophobicContact CB-CB 4.49Å; N158-P166 HydrophobicContact CB-CG 4.46Å; P166-C180 PolarHBondContact O-N 2.77Å; P166-I182 HydrophobicContact CB-CD1 3.8Å; P166-I182 HydrophobicContact CG-CD1 3.87Å
167	W	96.7	Very high	94.8	Very high	9 Å²	9	60.6 Å²	60.6	3%	0.034	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	172.4	-178.3	60.2	-92.4	0	0	0	110.3	W133 W143 C156 R157 P159 D160 Y169 Y177 E178	W133-W167 HydrophobicContact CH2-CE3 4.33Å; W133-W167 HydrophobicContact CH2-CH2 4.39Å; W133-W167 HydrophobicContact CH2-CZ3 4.13Å; W133-W167 HydrophobicContact CZ3-CH2 4.45Å; W133-W167 HydrophobicContact CZ3-CZ3 4.38Å; W143-W167 AromaticContact CD1-CH2 3.67Å; W143-W167 AromaticContact NE1-CH2 3.88Å; W143-W167 AromaticContact NE1-CZ2 3.82Å; C156-W167 WeakPolarHBondContact CA-O 3.44Å; R157-W167 PolarHBondContact N-O 3.33Å; R157-W167 PolarHBondContact O-N 3.29Å; P159-W167 HydrophobicContact CG-CZ2 4.08Å; D160-W167 PolarHBondContact OD1-NE1 3.44Å; W167-Y169 HydrophobicContact CH2-CD2 4.43Å; W167-Y169 AromaticContact CH2-CE2 3.67Å; W167-Y169 HydrophobicContact CH2-CE2 3.67Å; W167-Y169 AromaticContact CH2-CZ 3.79Å; W167-Y169 AromaticContact CZ3-CD2 3.82Å; W167-Y169 HydrophobicContact CZ3-CD2 3.82Å; W167-Y169 HydrophobicContact CZ3-CE1 4.26Å; W167-Y169 AromaticContact CZ3-CE2 3.47Å; W167-Y169 HydrophobicContact CZ3-CE2 3.47Å; W167-Y169 VanDerWaalsContact CZ3-CE2 3.47Å; W167-Y169 HydrophobicContact CZ3-CG 4.33Å; W167-Y169 AromaticContact CZ3-CZ 3.7Å; W167-Y177 HydrophobicContact CD2-CD2 4.49Å; W167-Y177 HydrophobicContact CE3-CD2 4.13Å; W167-Y177 HydrophobicContact CE3-CG 4.34Å; W167-Y177 HydrophobicContact CZ3-CG 4.4Å; W167-E178 WeakPolarHBondContact CA-O 2.96Å; W167-E178 WeakPolarHBondContact CB-O 3.35Å
168	C	97.4	Very high	94.8	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	158.9	171.2	68.6	0	0	0	0	111	C130 W133 Y177 E178	C130-C168 VanDerWaalsContact CA-SG 3.56Å; C130-C168 HydrophobicContact CB-CB 3.57Å; C130-C168 WeakPolarHBondContact CB-SG 3.4Å; C130-C168 WeakPolarHBondContact SG-CB 3.44Å; C130-C168 CovalentContact SG-SG 2.01Å; C130-C168 PolarHBondContact SG-SG 3.33Å; W133-C168 HydrophobicContact CZ2-CB 4.37Å; C168-Y177 VanDerWaalsContact O-CA 3.29Å; C168-Y177 WeakPolarHBondContact O-CA 3.47Å; C168-Y177 WeakPolarHBondContact O-CB 3.26Å; C168-E178 PolarHBondContact N-O 2.95Å; C168-E178 VanDerWaalsContact N-O 3.13Å; C168-E178 PolarHBondContact O-N 3.07Å
169	Y	97.5	Very high	94.8	Very high	18 Å²	18	61.9 Å²	61.9	7%	0.071	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	143.9	161.4	-68.9	-81.5	0	0	0	108.6	C130 Q131 W133 H139 H141 W167 R176	C130-Y169 CarbonylContact C-O 3.58Å; C130-Y169 VanDerWaalsContact CA-O 3.31Å; C130-Y169 WeakPolarHBondContact CA-O 3.44Å; Q131-Y169 PolarHBondContact N-O 3.3Å; W133-Y169 HydrophobicContact CE3-CD2 4.26Å; W133-Y169 HydrophobicContact CE3-CE2 4.49Å; W133-Y169 HydrophobicContact CH2-CD2 4.44Å; W133-Y169 AromaticContact CZ3-CD2 3.78Å; W133-Y169 HydrophobicContact CZ3-CD2 3.78Å; W133-Y169 AromaticContact CZ3-CE2 3.83Å; W133-Y169 HydrophobicContact CZ3-CE2 3.83Å; H139-Y169 HydrophobicContact CB-CD1 4.02Å; H141-Y169 HydrophobicContact CB-CD1 4.32Å; H141-Y169 HydrophobicContact CB-CD2 4.13Å; H141-Y169 HydrophobicContact CB-CE1 3.67Å; H141-Y169 HydrophobicContact CB-CE2 3.42Å; H141-Y169 VanDerWaalsContact CB-CE2 3.42Å; H141-Y169 VanDerWaalsContact CB-OH 3.28Å; H141-Y169 WeakPolarHBondContact CB-OH 3.43Å; H141-Y169 AromaticContact CD2-CD2 3.33Å; H141-Y169 WeakPolarHBondContact CD2-CD2 3.46Å; H141-Y169 AromaticContact CD2-CE2 3.56Å; H141-Y169 AromaticContact CD2-CG 3.59Å; H141-Y169 AromaticContact CG-CD2 3.64Å; H141-Y169 AromaticContact CG-CE2 3.32Å; H141-Y169 AromaticContact CG-CZ 3.66Å; H141-Y169 AromaticContact ND1-CE2 3.75Å; H141-Y169 AromaticContact NE2-CD2 3.62Å; W167-Y169 HydrophobicContact CH2-CD2 4.43Å; W167-Y169 AromaticContact CH2-CE2 3.67Å; W167-Y169 HydrophobicContact CH2-CE2 3.67Å; W167-Y169 AromaticContact CH2-CZ 3.79Å; W167-Y169 AromaticContact CZ3-CD2 3.82Å; W167-Y169 HydrophobicContact CZ3-CD2 3.82Å; W167-Y169 HydrophobicContact CZ3-CE1 4.26Å; W167-Y169 AromaticContact CZ3-CE2 3.47Å; W167-Y169 HydrophobicContact CZ3-CE2 3.47Å; W167-Y169 VanDerWaalsContact CZ3-CE2 3.47Å; W167-Y169 HydrophobicContact CZ3-CG 4.33Å; W167-Y169 AromaticContact CZ3-CZ 3.7Å; Y169-R176 WeakPolarHBondContact CA-O 3.36Å; Y169-R176 HydrophobicContact CD1-CG 4.14Å; Y169-R176 WeakPolarHBondContact CD1-O 3.25Å; Y169-R176 HydrophobicContact CE1-CG 4.18Å
170	T	97.3	Very high	94.9	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-99.6	162.1	-176.8	93.2	0	0	0	0	111.6	T124 L128 T129 H139 D172 R175 R176 E178	T124-T170 HydrophobicContact CG2-CG2 3.87Å; L128-T170 HydrophobicContact CB-CG2 4.46Å; L128-T170 HydrophobicContact CD1-CG2 4.21Å; T129-T170 CarbonylContact O-C 3.48Å; T129-T170 WeakPolarHBondContact O-CA 3.36Å; H139-T170 PolarHBondContact CD2-O 2.87Å; T170-D172 PolarHBondContact O-N 2.81Å; T170-D172 WeakPolarHBondContact OG1-CB 3.38Å; T170-D172 PolarHBondContact OG1-N 3.13Å; T170-D172 PolarHBondContact OG1-O 2.79Å; T170-R175 WeakPolarHBondContact CB-O 3.43Å; T170-R175 HydrophobicContact CG2-CB 4.48Å; T170-R175 HydrophobicContact CG2-CG 4.11Å; T170-R175 VanDerWaalsContact CG2-O 3.28Å; T170-R175 WeakPolarHBondContact CG2-O 3.26Å; T170-R175 PolarHBondContact OG1-O 3.41Å; T170-R176 PolarHBondContact N-O 3.01Å; T170-E178 HydrophobicContact CG2-CB 4.24Å
171	T	96.8	Very high	94.9	Very high	73 Å²	73	63.4 Å²	63.4	45%	0.448	30%	0.304	S	S	.	.	S	Bend	trans	-79	-3.5	170.5	55.8	0	0	0	0	113.4	T129	T129-T171 HydrophobicContact CG2-CG2 4.23Å; T129-T171 PolarHBondContact O-N 2.79Å; T129-T171 PolarHBondContact O-OG1 2.85Å
172	D	96.3	Very high	95	Very high	52 Å²	52	63.5 Å²	63.5	28%	0.278	30%	0.301	S	S	.	.			trans	-87.4	119.9	177.3	-179.2	-5.2	0	0	0	110.1	L128 H139 T170 E174 R175	L128-D172 HydrophobicContact CD1-CB 4.22Å; L128-D172 HydrophobicContact CD2-CB 4.24Å; H139-D172 PolarHBondContact NE2-O 2.9Å; T170-D172 PolarHBondContact O-N 2.81Å; T170-D172 WeakPolarHBondContact OG1-CB 3.38Å; T170-D172 PolarHBondContact OG1-N 3.13Å; T170-D172 PolarHBondContact OG1-O 2.79Å; D172-E174 PolarHBondContact O-N 3.08Å; D172-E174 PolarHBondContact OD1-N 3.48Å; D172-R175 HydrophobicContact CB-CB 4.21Å; D172-R175 CarbonylContact O-C 3.44Å; D172-R175 PolarHBondContact O-N 3.1Å
173	P	94.9	Very high	95	Very high	87 Å²	87	63.5 Å²	63.5	57%	0.565	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-27.8	176.7	-24.2	34.9	0	0	0	114.5	P138 H139	P138-P173 HydrophobicContact CB-CG 4.31Å; H139-P173 PolarHBondContact CE1-O 3.01Å
174	E	95.1	Very high	95.1	Very high	173 Å²	173	55.5 Å²	55.5	81%	0.808	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-18.1	-178.6	-61.7	-57.8	130.7	0	0	112.4	D172	D172-E174 PolarHBondContact O-N 3.08Å; D172-E174 PolarHBondContact OD1-N 3.48Å
175	R	94.9	Very high	95.1	Very high	96 Å²	96	49.9 Å²	49.9	36%	0.362	25%	0.248	S	C	.	.			trans	-121	90.8	-178.1	-168.6	72.1	171.9	110.2	5.2	110.7	L128 T170 D172 Y177 E178	L128-R175 HydrophobicContact CD1-CB 3.92Å; L128-R175 HydrophobicContact CD1-CG 3.83Å; T170-R175 WeakPolarHBondContact CB-O 3.43Å; T170-R175 HydrophobicContact CG2-CB 4.48Å; T170-R175 HydrophobicContact CG2-CG 4.11Å; T170-R175 VanDerWaalsContact CG2-O 3.28Å; T170-R175 WeakPolarHBondContact CG2-O 3.26Å; T170-R175 PolarHBondContact OG1-O 3.41Å; D172-R175 HydrophobicContact CB-CB 4.21Å; D172-R175 CarbonylContact O-C 3.44Å; D172-R175 PolarHBondContact O-N 3.1Å; R175-Y177 VanDerWaalsContact CZ-O 3.3Å; R175-Y177 PolarHBondContact NH1-O 2.84Å; R175-Y177 PolarHBondContact O-N 2.99Å; R175-E178 IonicContact CZ-OE1 2.72Å; R175-E178 IonicContact NE-OE1 3.36Å; R175-E178 PolarHBondContact NE-OE1 3.16Å; R175-E178 IonicContact NH2-OE1 2.99Å; R175-E178 PolarHBondContact NH2-OE1 2.92Å
176	R	96.1	Very high	95	Very high	111 Å²	111	53.4 Å²	53.4	42%	0.419	26%	0.262	S	S	.	.			trans	-53.8	-51.8	-175.9	-174.8	172.4	169.7	77.7	0.9	115.1	H139 D140 Y169 T170	H139-R176 HydrophobicContact CB-CG 4.3Å; H139-R176 PolarHBondContact CD2-O 2.8Å; D140-R176 VanDerWaalsContact O-CZ 3.23Å; D140-R176 PolarHBondContact O-NH1 3.12Å; D140-R176 PolarHBondContact O-NH2 2.72Å; Y169-R176 WeakPolarHBondContact CA-O 3.36Å; Y169-R176 HydrophobicContact CD1-CG 4.14Å; Y169-R176 WeakPolarHBondContact CD1-O 3.25Å; Y169-R176 HydrophobicContact CE1-CG 4.18Å; T170-R176 PolarHBondContact N-O 3.01Å
177	Y	95.3	Very high	94.7	Very high	117 Å²	117	57 Å²	57	46%	0.459	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	156	178.4	70.5	-82.6	0	0	0	110.2	W167 C168 R175	W167-Y177 HydrophobicContact CD2-CD2 4.49Å; W167-Y177 HydrophobicContact CE3-CD2 4.13Å; W167-Y177 HydrophobicContact CE3-CG 4.34Å; W167-Y177 HydrophobicContact CZ3-CG 4.4Å; C168-Y177 VanDerWaalsContact O-CA 3.29Å; C168-Y177 WeakPolarHBondContact O-CA 3.47Å; C168-Y177 WeakPolarHBondContact O-CB 3.26Å; R175-Y177 VanDerWaalsContact CZ-O 3.3Å; R175-Y177 PolarHBondContact NH1-O 2.84Å; R175-Y177 PolarHBondContact O-N 2.99Å
178	E	96.4	Very high	94.3	Very high	13 Å²	13	59.9 Å²	59.9	6%	0.061	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	150.6	176.4	-178.8	169.7	-111.6	0	0	111.9	T124 K125 S126 W167 C168 T170 R175	T124-E178 WeakPolarHBondContact CB-OE2 3.18Å; T124-E178 HydrophobicContact CG2-CB 3.93Å; T124-E178 HydrophobicContact CG2-CG 4.45Å; T124-E178 PolarHBondContact OG1-OE2 2.76Å; K125-E178 HydrophobicContact CD-CG 4.41Å; K125-E178 VanDerWaalsContact CE-OE1 3.26Å; K125-E178 WeakPolarHBondContact CE-OE1 3.06Å; K125-E178 HydrophobicContact CG-CG 3.93Å; S126-E178 WeakPolarHBondContact CB-OE2 3.41Å; S126-E178 PolarHBondContact N-OE2 3.17Å; S126-E178 PolarHBondContact OG-OE2 3.49Å; W167-E178 WeakPolarHBondContact CA-O 2.96Å; W167-E178 WeakPolarHBondContact CB-O 3.35Å; C168-E178 PolarHBondContact N-O 2.95Å; C168-E178 VanDerWaalsContact N-O 3.13Å; C168-E178 PolarHBondContact O-N 3.07Å; T170-E178 HydrophobicContact CG2-CB 4.24Å; R175-E178 IonicContact CZ-OE1 2.72Å; R175-E178 IonicContact NE-OE1 3.36Å; R175-E178 PolarHBondContact NE-OE1 3.16Å; R175-E178 IonicContact NH2-OE1 2.99Å; R175-E178 PolarHBondContact NH2-OE1 2.92Å
179	S	96.1	Very high	93.9	Very high	24 Å²	24	62.6 Å²	62.6	17%	0.168	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	143.3	173.5	59.9	0	0	0	0	112.2	K125	K125-S179 WeakPolarHBondContact CD-OG 3.49Å; K125-S179 PolarHBondContact N-O 3.38Å
180	C	96	Very high	93.4	Very high	13 Å²	13	64 Å²	64	9%	0.088	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-91.4	149.9	175.8	-56	0	0	0	0	111.2	V121 C156 P166 I182	V121-C180 HydrophobicContact CG1-CB 4.2Å; C156-C180 HydrophobicContact CB-CB 3.58Å; C156-C180 WeakPolarHBondContact CB-SG 3.35Å; C156-C180 WeakPolarHBondContact SG-CB 3.49Å; C156-C180 CovalentContact SG-SG 2.01Å; C156-C180 PolarHBondContact SG-SG 2.86Å; P166-C180 PolarHBondContact O-N 2.77Å; C180-I182 VanDerWaalsContact C-N 3.29Å; C180-I182 HydrophobicContact CB-CD1 4.05Å; C180-I182 HydrophobicContact CB-CG1 4.21Å; C180-I182 PolarHBondContact O-N 2.94Å
181	N	91.6	Very high	92.9	Very high	133 Å²	133	64.2 Å²	64.2	71%	0.711	33%	0.325	S	S	*	.			trans	-84.9	71.8	-179.1	-169.8	28.7	0	0	0	110.8	K125	K125-N181 HydrophobicContact CB-CB 4.2Å
182	I	93.6	Very high	92	Very high	15 Å²	15	62.9 Å²	62.9	8%	0.077	32%	0.317	C	S	.	.			trans	-106.9	120.9	177.4	-55.3	158.6	0	0	0	108	K108 I110 Y117 V121 C156 P166 C180	K108-I182 WeakPolarHBondContact O-CG2 3.39Å; I110-I182 HydrophobicContact CG2-CB 4.4Å; I110-I182 HydrophobicContact CG2-CG2 3.75Å; Y117-I182 HydrophobicContact CD1-CD1 4.09Å; Y117-I182 HydrophobicContact CE1-CD1 3.53Å; Y117-I182 HydrophobicContact CE2-CG2 4.05Å; V121-I182 HydrophobicContact CB-CD1 4.27Å; V121-I182 HydrophobicContact CB-CG1 4.16Å; V121-I182 HydrophobicContact CG1-CD1 4.47Å; V121-I182 HydrophobicContact CG1-CG1 4.14Å; V121-I182 HydrophobicContact CG2-CG1 4.09Å; C156-I182 HydrophobicContact CB-CD1 4.05Å; P166-I182 HydrophobicContact CB-CD1 3.8Å; P166-I182 HydrophobicContact CG-CD1 3.87Å; C180-I182 VanDerWaalsContact C-N 3.29Å; C180-I182 HydrophobicContact CB-CD1 4.05Å; C180-I182 HydrophobicContact CB-CG1 4.21Å; C180-I182 PolarHBondContact O-N 2.94Å
183	P	92.6	Very high	91.2	Very high	51 Å²	51	62.8 Å²	62.8	33%	0.331	32%	0.319	S	S	.	.			trans	-69.7	152	-176.5	28.9	-34.7	0	0	0	111.7	C109 I110 E188	C109-P183 CarbonylContact C-O 3.55Å; C109-P183 WeakPolarHBondContact CA-O 3.21Å; C109-P183 HydrophobicContact CB-CG 4.39Å; C109-P183 VanDerWaalsContact CB-O 3.25Å; C109-P183 WeakPolarHBondContact CB-O 3.46Å; I110-P183 PolarHBondContact N-O 3.2Å; P183-E188 HydrophobicContact CB-CB 4.23Å; P183-E188 HydrophobicContact CG-CB 4.14Å; P183-E188 HydrophobicContact CG-CG 4.12Å
184	Q	92.2	Very high	90.8	Very high	54 Å²	54	59 Å²	59	25%	0.252	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-67.6	142.8	164	-69.9	-73.3	-26.7	0	0	109.1	I110 G112 K186 D187 E188	I110-Q184 VanDerWaalsContact CD1-NE2 3.33Å; I110-Q184 HydrophobicContact CG1-CG 4.49Å; I110-Q184 WeakPolarHBondContact O-CA 3.28Å; I110-Q184 PolarHBondContact O-OE1 2.79Å; G112-Q184 PolarHBondContact O-NE2 3.06Å; G112-Q184 PolarHBondContact O-OE1 3.16Å; Q184-K186 HydrophobicContact CB-CG 4.02Å; Q184-K186 PolarHBondContact O-N 2.7Å; Q184-K186 VanDerWaalsContact O-N 3.13Å; Q184-D187 HydrophobicContact CB-CB 4.35Å; Q184-D187 WeakPolarHBondContact CB-OD2 3.31Å; Q184-D187 PolarHBondContact O-N 3.29Å; Q184-E188 PolarHBondContact O-N 2.86Å
185	C	91.2	Very high	90.4	Very high	4 Å²	4	50.8 Å²	50.8	3%	0.027	26%	0.256	C	S	.	.	H	α-helix	trans	-60.1	-29.1	-178.9	-63.2	0	0	0	0	112.7	C109 I110 V111 D187 V202	C109-C185 HydrophobicContact CB-CB 3.85Å; C109-C185 WeakPolarHBondContact CB-SG 3.25Å; C109-C185 WeakPolarHBondContact SG-CA 3.3Å; C109-C185 WeakPolarHBondContact SG-CB 3.42Å; C109-C185 CovalentContact SG-SG 2.03Å; C109-C185 PolarHBondContact SG-SG 3.42Å; I110-C185 PolarHBondContact O-N 3.01Å; I110-C185 PolarHBondContact O-SG 3.19Å; I110-C185 VanDerWaalsContact O-SG 3.35Å; V111-C185 HydrophobicContact CG2-CB 4.45Å; C185-D187 VanDerWaalsContact C-N 3.26Å; C185-D187 PolarHBondContact O-N 2.89Å; C185-V202 VanDerWaalsContact C-CG2 3.48Å; C185-V202 HydrophobicContact CB-CG2 4.09Å; C185-V202 WeakPolarHBondContact O-CG2 3.05Å
186	K	91.3	Very high	89.9	Confident	75 Å²	75	48.2 Å²	48.2	33%	0.326	25%	0.248	S	C	.	.	H	α-helix	trans	-70.3	-18.3	174.8	69.2	175	-166	172.8	0	115	Q184 V202 D263 S265	Q184-K186 HydrophobicContact CB-CG 4.02Å; Q184-K186 PolarHBondContact O-N 2.7Å; Q184-K186 VanDerWaalsContact O-N 3.13Å; K186-V202 HydrophobicContact CB-CG2 4.18Å; K186-D263 VanDerWaalsContact CB-O 3.23Å; K186-D263 WeakPolarHBondContact CB-O 3.11Å; K186-D263 WeakPolarHBondContact CD-OD2 3.47Å; K186-D263 IonicContact NZ-OD2 3.93Å; K186-D263 PolarHBondContact NZ-OD2 3.44Å; K186-S265 WeakPolarHBondContact O-CB 3.07Å; K186-S265 PolarHBondContact O-N 2.82Å
187	D	90.1	Very high	89.2	Confident	79 Å²	79	47.4 Å²	47.4	42%	0.422	25%	0.252	S	S	.	.	H	α-helix	trans	-110.3	-16.9	-177.1	-61.1	-42.2	0	0	0	112.5	Q184 C185 S265	Q184-D187 HydrophobicContact CB-CB 4.35Å; Q184-D187 WeakPolarHBondContact CB-OD2 3.31Å; Q184-D187 PolarHBondContact O-N 3.29Å; C185-D187 VanDerWaalsContact C-N 3.26Å; C185-D187 PolarHBondContact O-N 2.89Å; D187-S265 WeakPolarHBondContact OD1-CB 3.33Å; D187-S265 PolarHBondContact OD1-OG 2.88Å
188	E	87.8	Confident	89	Confident	70 Å²	70	42 Å²	42	33%	0.327	23%	0.231	S	C	.	.	H	α-helix	trans	-64.9	-44.8	-179.7	-174.6	-176.4	-165.4	0	0	111.7	K108 C109 P183 Q184	K108-E188 WeakPolarHBondContact CB-OE1 3.26Å; C109-E188 HydrophobicContact CB-CB 4.26Å; C109-E188 WeakPolarHBondContact CB-OE2 3.36Å; C109-E188 PolarHBondContact SG-OE2 2.88Å; P183-E188 HydrophobicContact CB-CB 4.23Å; P183-E188 HydrophobicContact CG-CB 4.14Å; P183-E188 HydrophobicContact CG-CG 4.12Å; Q184-E188 PolarHBondContact O-N 2.86Å
189	V	89.4	Confident	88.7	Confident	57 Å²	57	46.1 Å²	46.1	35%	0.345	25%	0.246	S	C	.	.	S	Bend	trans	-122.6	118.3	174.8	-177.7	0	0	0	0	107.1	Y198	V189-Y198 HydrophobicContact CB-CE2 3.96Å; V189-Y198 HydrophobicContact CG1-CD2 3.96Å; V189-Y198 HydrophobicContact CG1-CE2 3.87Å; V189-Y198 WeakPolarHBondContact O-CE2 3.22Å
190	C	86.7	Confident	88.4	Confident	47 Å²	47	45.1 Å²	45.1	32%	0.318	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-89.3	155.2	178.3	58.1	0	0	0	0	111.4	S265 C267	C190-S265 CarbonylContact C-O 3.55Å; C190-S265 WeakPolarHBondContact CA-O 3.42Å; C190-S265 WeakPolarHBondContact CB-O 3.31Å; C190-C267 VanDerWaalsContact C-SG 3.59Å; C190-C267 HydrophobicContact CB-CB 3.92Å; C190-C267 WeakPolarHBondContact CB-SG 3.19Å; C190-C267 WeakPolarHBondContact SG-CA 3.35Å; C190-C267 WeakPolarHBondContact SG-CB 3.25Å; C190-C267 CovalentContact SG-SG 2.03Å; C190-C267 PolarHBondContact SG-SG 2.97Å
191	I	86.4	Confident	88.2	Confident	5 Å²	5	46.4 Å²	46.4	3%	0.026	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-85.3	139.5	172.2	58.6	173.4	0	0	0	110.8	Y198 P248 I264 S265 K266 C267	I191-Y198 HydrophobicContact CG2-CD2 3.72Å; I191-Y198 HydrophobicContact CG2-CE2 4.43Å; I191-Y198 HydrophobicContact CG2-CG 3.93Å; I191-P248 HydrophobicContact CG2-CG 3.91Å; I191-I264 HydrophobicContact CG2-CB 4.08Å; I191-I264 HydrophobicContact CG2-CD1 4.31Å; I191-I264 HydrophobicContact CG2-CG2 3.67Å; I191-S265 PolarHBondContact N-O 3.11Å; I191-K266 HydrophobicContact CD1-CG 4.2Å; I191-K266 HydrophobicContact CG1-CG 3.97Å; I191-C267 PolarHBondContact O-N 2.8Å; I191-C267 VanDerWaalsContact O-N 3.16Å; I191-C267 PolarHBondContact O-SG 2.87Å
192	T	79	Confident	88.3	Confident	45 Å²	45	40.6 Å²	40.6	28%	0.276	21%	0.213	S	C	.	.	S	Bend	trans	-101.2	152.1	159.7	72.8	0	0	0	0	108.3	N194 G195 D197	T192-N194 PolarHBondContact O-N 2.83Å; T192-G195 PolarHBondContact O-N 3.12Å; T192-D197 PolarHBondContact OG1-OD2 3.06Å
193	C	79.3	Confident	88.4	Confident	50 Å²	50	40.1 Å²	40.1	34%	0.338	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	-118.2	-178.9	-81.5	0	0	0	0	111.8	C325	C193-C325 WeakPolarHBondContact CA-SG 3.49Å; C193-C325 HydrophobicContact CB-CB 4.01Å; C193-C325 WeakPolarHBondContact CB-SG 3.48Å; C193-C325 WeakPolarHBondContact SG-CB 3.23Å; C193-C325 CovalentContact SG-SG 2.01Å; C193-C325 PolarHBondContact SG-SG 3.27Å
194	N	85.3	Confident	88.4	Confident	7 Å²	7	40.4 Å²	40.4	4%	0.037	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	6.4	179.1	-61.7	18.7	0	0	0	111.3	T192 N241 S245 P246 P248 Y323	T192-N194 PolarHBondContact O-N 2.83Å; N194-N241 PolarHBondContact O-ND2 3.32Å; N194-S245 WeakPolarHBondContact CB-O 3.43Å; N194-S245 PolarHBondContact ND2-O 3.11Å; N194-P246 WeakPolarHBondContact CB-O 3.14Å; N194-P248 VanDerWaalsContact O-CD 3.32Å; N194-P248 WeakPolarHBondContact O-CD 3.12Å; N194-Y323 WeakPolarHBondContact ND2-CD1 3.46Å; N194-Y323 WeakPolarHBondContact ND2-CE1 3.32Å
195	G	87.1	Confident	88.6	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	78.1	30.4	176	0	0	0	0	0	115.4	T192 D197 Y198	T192-G195 PolarHBondContact O-N 3.12Å; G195-D197 VanDerWaalsContact C-N 3.26Å; G195-D197 PolarHBondContact O-N 3.37Å; G195-Y198 WeakPolarHBondContact O-CB 3.26Å; G195-Y198 PolarHBondContact O-N 3.1Å
196	E	84.3	Confident	88.7	Confident	43 Å²	43	44.4 Å²	44.4	20%	0.201	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-31.7	173.3	-57.6	97.7	140.4	0	0	112.7	Y198 R199 N241 K326	E196-Y198 VanDerWaalsContact C-N 3.34Å; E196-R199 PolarHBondContact O-NH1 3.08Å; E196-N241 HydrophobicContact CG-CB 4.49Å; E196-K326 WeakPolarHBondContact OE1-CE 3.22Å; E196-K326 IonicContact OE1-NZ 3.2Å; E196-K326 PolarHBondContact OE1-NZ 2.85Å
197	D	82.3	Confident	88.8	Confident	94 Å²	94	44 Å²	44	50%	0.503	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	1.7	174.8	70.3	-24.8	0	0	0	113	T192 G195 R199	T192-D197 PolarHBondContact OG1-OD2 3.06Å; G195-D197 VanDerWaalsContact C-N 3.26Å; G195-D197 PolarHBondContact O-N 3.37Å; D197-R199 WeakPolarHBondContact O-CG 3.39Å; D197-R199 PolarHBondContact O-N 3.4Å; D197-R199 PolarHBondContact O-NH1 3.14Å
198	Y	89.8	Confident	88.8	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.008	24%	0.238	C	C	.	.			trans	-62.6	126.5	-179.6	178.1	-110.1	0	0	0	111.4	V189 I191 G195 E196 G200 V202 C239 R240 P248 I264	V189-Y198 HydrophobicContact CB-CE2 3.96Å; V189-Y198 HydrophobicContact CG1-CD2 3.96Å; V189-Y198 HydrophobicContact CG1-CE2 3.87Å; V189-Y198 WeakPolarHBondContact O-CE2 3.22Å; I191-Y198 HydrophobicContact CG2-CD2 3.72Å; I191-Y198 HydrophobicContact CG2-CE2 4.43Å; I191-Y198 HydrophobicContact CG2-CG 3.93Å; G195-Y198 WeakPolarHBondContact O-CB 3.26Å; G195-Y198 PolarHBondContact O-N 3.1Å; E196-Y198 VanDerWaalsContact C-N 3.34Å; Y198-G200 WeakPolarHBondContact OH-CA 3.49Å; Y198-V202 WeakPolarHBondContact OH-CB 3.43Å; Y198-V202 WeakPolarHBondContact OH-CG2 3.44Å; Y198-C239 VanDerWaalsContact CD1-O 3.32Å; Y198-C239 WeakPolarHBondContact CD1-O 3.45Å; Y198-C239 HydrophobicContact CE1-CB 4.45Å; Y198-C239 WeakPolarHBondContact CE1-O 3.25Å; Y198-R240 WeakPolarHBondContact O-CD 3.42Å; Y198-P248 HydrophobicContact CD1-CB 4.38Å; Y198-P248 HydrophobicContact CD1-CG 4.32Å; Y198-P248 HydrophobicContact CG-CG 4.45Å; Y198-I264 HydrophobicContact CD1-CD1 3.87Å; Y198-I264 HydrophobicContact CD2-CG2 4.22Å; Y198-I264 HydrophobicContact CE1-CD1 3.48Å; Y198-I264 VanDerWaalsContact CE1-CD1 3.48Å; Y198-I264 HydrophobicContact CE1-CG1 4.38Å; Y198-I264 HydrophobicContact CE2-CD1 4.26Å; Y198-I264 HydrophobicContact CE2-CG2 3.63Å; Y198-I264 HydrophobicContact CG-CD1 4.39Å
199	R	90.1	Very high	89.1	Confident	101 Å²	101	41.9 Å²	41.9	38%	0.381	23%	0.233	S	C	.	.			trans	-128.1	22.5	178.8	-59	-60.9	177.5	-93.6	3.5	112.9	E196 D197 S233	E196-R199 PolarHBondContact O-NH1 3.08Å; D197-R199 WeakPolarHBondContact O-CG 3.39Å; D197-R199 PolarHBondContact O-N 3.4Å; D197-R199 PolarHBondContact O-NH1 3.14Å; R199-S233 VanDerWaalsContact CD-CB 3.46Å; R199-S233 VanDerWaalsContact CD-OG 3.27Å; R199-S233 WeakPolarHBondContact CD-OG 3.25Å; R199-S233 PolarHBondContact NE-OG 2.79Å
200	G	90.9	Very high	89.3	Confident	2 Å²	2	40.3 Å²	40.3	2%	0.021	22%	0.222	C	C	.	.			trans	-73	173.9	177.1	0	0	0	0	0	113.3	Y198 R240	Y198-G200 WeakPolarHBondContact OH-CA 3.49Å; G200-R240 PolarHBondContact O-NH1 3.25Å
201	Q	91.9	Very high	89.8	Confident	41 Å²	41	38.1 Å²	38.1	19%	0.192	21%	0.207	C	C	.	.			trans	-101.9	14.9	-170	-62.1	-171.2	-34.4	0	0	114.3	R107 D203 Y238	R107-Q201 PolarHBondContact NH2-O 3.07Å; Q201-D203 PolarHBondContact O-N 3.19Å; Q201-Y238 VanDerWaalsContact C-CD1 3.42Å; Q201-Y238 VanDerWaalsContact CA-CD1 3.48Å; Q201-Y238 HydrophobicContact CB-CD1 4.2Å; Q201-Y238 HydrophobicContact CB-CE1 3.82Å; Q201-Y238 HydrophobicContact CG-CE1 4.28Å; Q201-Y238 VanDerWaalsContact O-CD1 3.28Å; Q201-Y238 WeakPolarHBondContact O-CD1 3.43Å; Q201-Y238 WeakPolarHBondContact O-CE1 3.26Å
202	V	94.1	Very high	90.2	Very high	11 Å²	11	37.9 Å²	37.9	7%	0.067	21%	0.206	C	C	.	.			trans	-64.3	125.3	173.6	178.2	0	0	0	0	109.3	C185 K186 Y198 H204 Y238 C239 C262 I264	C185-V202 VanDerWaalsContact C-CG2 3.48Å; C185-V202 HydrophobicContact CB-CG2 4.09Å; C185-V202 WeakPolarHBondContact O-CG2 3.05Å; K186-V202 HydrophobicContact CB-CG2 4.18Å; Y198-V202 WeakPolarHBondContact OH-CB 3.43Å; Y198-V202 WeakPolarHBondContact OH-CG2 3.44Å; V202-H204 WeakPolarHBondContact CG1-O 3.29Å; V202-Y238 CarbonylContact O-C 3.38Å; V202-Y238 VanDerWaalsContact O-CA 3.25Å; V202-Y238 WeakPolarHBondContact O-CA 3.26Å; V202-C239 PolarHBondContact O-N 2.95Å; V202-C239 PolarHBondContact O-SG 2.93Å; V202-C262 HydrophobicContact CG1-CB 4.26Å; V202-I264 HydrophobicContact CB-CG1 4.45Å; V202-I264 HydrophobicContact CG1-CG1 4.44Å; V202-I264 HydrophobicContact CG2-CG1 4.27Å
203	D	94.1	Very high	91	Very high	5 Å²	5	35.8 Å²	35.8	3%	0.027	19%	0.193	C	C	.	.			trans	-130.9	15.4	-175.2	65.3	-24.1	0	0	0	112.6	R107 Q201 C211 Y238	R107-D203 IonicContact CZ-OD1 2.98Å; R107-D203 IonicContact CZ-OD2 3.36Å; R107-D203 VanDerWaalsContact CZ-OD2 3.26Å; R107-D203 IonicContact NH1-OD1 3.77Å; R107-D203 IonicContact NH1-OD2 2.98Å; R107-D203 PolarHBondContact NH1-OD2 2.02Å; R107-D203 IonicContact NH2-OD1 2.99Å; R107-D203 PolarHBondContact NH2-OD1 2.87Å; R107-D203 IonicContact NH2-OD2 2.88Å; R107-D203 PolarHBondContact NH2-OD2 3.24Å; Q201-D203 PolarHBondContact O-N 3.19Å; D203-C211 WeakPolarHBondContact O-CB 3.5Å; D203-C211 PolarHBondContact O-N 3.05Å; D203-C211 PolarHBondContact O-SG 2.82Å; D203-Y238 HydrophobicContact CB-CD1 4.16Å
204	H	93.5	Very high	91.8	Very high	56 Å²	56	33.5 Å²	33.5	26%	0.259	18%	0.177	S	C	.	.	B	Isolated β-bridge	trans	-129.4	145.9	175	-68.5	73.4	0	0	0	109.9	V202 K209	V202-H204 WeakPolarHBondContact CG1-O 3.29Å; H204-K209 CarbonylContact C-O 3.35Å; H204-K209 WeakPolarHBondContact CA-O 3.32Å
205	T	95.3	Very high	92	Very high	8 Å²	8	35.3 Å²	35.3	5%	0.049	19%	0.187	C	C	.	.			trans	-73.4	171	176.6	71.9	0	0	0	0	111.1	S207 G208 K209 T252 E260 S261	T205-S207 PolarHBondContact O-N 3.02Å; T205-S207 PolarHBondContact OG1-N 2.88Å; T205-S207 PolarHBondContact OG1-OG 2.91Å; T205-G208 WeakPolarHBondContact O-CA 3.41Å; T205-G208 PolarHBondContact O-N 2.04Å; T205-K209 HydrophobicContact CG2-CB 4.13Å; T205-K209 PolarHBondContact N-O 2.89Å; T205-K209 WeakPolarHBondContact OG1-CB 3.48Å; T205-K209 PolarHBondContact OG1-N 2.89Å; T205-T252 HydrophobicContact CG2-CG2 3.85Å; T205-E260 WeakPolarHBondContact CB-OE2 3.07Å; T205-E260 HydrophobicContact CG2-CB 3.74Å; T205-E260 HydrophobicContact CG2-CG 4.24Å; T205-E260 PolarHBondContact OG1-OE2 3.43Å; T205-S261 WeakPolarHBondContact CA-O 3.38Å; T205-S261 WeakPolarHBondContact CB-O 2.93Å
206	E	93.6	Very high	92.2	Very high	134 Å²	134	37 Å²	37	63%	0.626	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-36.4	174.3	-177.2	177.1	-176.6	0	0	112.7	G208 S261 D263	E206-G208 PolarHBondContact O-N 2.98Å; E206-S261 PolarHBondContact N-O 3.47Å; E206-D263 HydrophobicContact CB-CB 4.42Å; E206-D263 HydrophobicContact CG-CB 4.38Å
207	S	93.4	Very high	92.5	Very high	68 Å²	68	37.8 Å²	37.8	48%	0.476	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	0.8	176	89.1	0	0	0	0	113.5	T205 K209 E260	T205-S207 PolarHBondContact O-N 3.02Å; T205-S207 PolarHBondContact OG1-N 2.88Å; T205-S207 PolarHBondContact OG1-OG 2.91Å; S207-K209 WeakPolarHBondContact OG-CG 3.25Å; S207-E260 WeakPolarHBondContact CB-OE1 2.82Å; S207-E260 PolarHBondContact OG-OE1 3.37Å; S207-E260 PolarHBondContact OG-OE2 3.35Å
208	G	91.3	Very high	92.8	Very high	50 Å²	50	39 Å²	39	52%	0.515	20%	0.2	S	C	.	.			trans	79.6	15.7	-177.1	0	0	0	0	0	115	T205 E206	T205-G208 WeakPolarHBondContact O-CA 3.41Å; T205-G208 PolarHBondContact O-N 2.04Å; E206-G208 PolarHBondContact O-N 2.98Å
209	K	93.7	Very high	92.9	Very high	54 Å²	54	40.5 Å²	40.5	24%	0.235	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-74.7	139.3	172.1	-69.3	168.7	-174.3	153.4	0	109.3	H204 T205 S207 T252 D254 T257	H204-K209 CarbonylContact C-O 3.35Å; H204-K209 WeakPolarHBondContact CA-O 3.32Å; T205-K209 HydrophobicContact CG2-CB 4.13Å; T205-K209 PolarHBondContact N-O 2.89Å; T205-K209 WeakPolarHBondContact OG1-CB 3.48Å; T205-K209 PolarHBondContact OG1-N 2.89Å; S207-K209 WeakPolarHBondContact OG-CG 3.25Å; K209-T252 HydrophobicContact CB-CG2 4.5Å; K209-T252 HydrophobicContact CD-CG2 4.43Å; K209-D254 HydrophobicContact CD-CB 4.12Å; K209-D254 VanDerWaalsContact CE-OD2 3.31Å; K209-D254 WeakPolarHBondContact CE-OD2 3.34Å; K209-D254 IonicContact NZ-OD2 3.41Å; K209-T257 HydrophobicContact CD-CG2 4.23Å; K209-T257 PolarHBondContact NZ-OG1 3.17Å
210	E	93.9	Very high	93.1	Very high	24 Å²	24	36.7 Å²	36.7	11%	0.112	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-72.5	139.1	176.9	-171.6	-177.6	-167.7	0	0	110.4	R19 N23 T253	R19-E210 IonicContact CZ-OE1 2.92Å; R19-E210 IonicContact CZ-OE2 2.97Å; R19-E210 IonicContact NE-OE1 2.78Å; R19-E210 PolarHBondContact NE-OE1 2.67Å; R19-E210 IonicContact NE-OE2 3.97Å; R19-E210 PolarHBondContact NE-OE2 3.31Å; R19-E210 IonicContact NH2-OE1 3.26Å; R19-E210 PolarHBondContact NH2-OE1 3.45Å; R19-E210 IonicContact NH2-OE2 3.7Å; R19-E210 PolarHBondContact NH2-OE2 2.78Å; N23-E210 VanDerWaalsContact CB-OE1 3.29Å; N23-E210 WeakPolarHBondContact CB-OE1 3.28Å; N23-E210 VanDerWaalsContact ND2-CD 3.32Å; N23-E210 PolarHBondContact ND2-OE1 2.74Å; N23-E210 VanDerWaalsContact ND2-OE1 3.09Å; E210-T253 HydrophobicContact CB-CG2 4.37Å; E210-T253 HydrophobicContact CG-CG2 4.43Å; E210-T253 PolarHBondContact O-N 3.27Å; E210-T253 PolarHBondContact O-OG1 3.15Å
211	C	96.6	Very high	93.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-72.6	139.4	176.5	-65.2	0	0	0	0	111.7	N23 D203 N237 C239 C250 Y251	N23-C211 PolarHBondContact ND2-O 3.17Å; D203-C211 WeakPolarHBondContact O-CB 3.5Å; D203-C211 PolarHBondContact O-N 3.05Å; D203-C211 PolarHBondContact O-SG 2.82Å; C211-N237 HydrophobicContact CB-CB 3.88Å; C211-N237 WeakPolarHBondContact CB-O 3.44Å; C211-N237 VanDerWaalsContact O-CB 3.27Å; C211-N237 WeakPolarHBondContact O-CB 3.37Å; C211-N237 PolarHBondContact O-ND2 3.03Å; C211-C239 VanDerWaalsContact SG-SG 3.7Å; C211-C250 VanDerWaalsContact CA-SG 3.55Å; C211-C250 HydrophobicContact CB-CB 3.53Å; C211-C250 WeakPolarHBondContact CB-SG 3.41Å; C211-C250 WeakPolarHBondContact SG-CB 3.3Å; C211-C250 CovalentContact SG-SG 2.02Å; C211-C250 PolarHBondContact SG-SG 3.43Å; C211-Y251 CarbonylContact C-O 3.36Å; C211-Y251 VanDerWaalsContact CA-O 3.32Å; C211-Y251 WeakPolarHBondContact CA-O 3.35Å
212	Q	95.6	Very high	92.9	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-69.3	143.6	164.2	177.3	-177.1	-42.8	0	0	109.4	Q216 F218 P219 H220 H222 N237 Y251	Q212-Q216 HydrophobicContact CG-CB 4.41Å; Q212-Q216 PolarHBondContact NE2-O 3.42Å; Q212-Q216 VanDerWaalsContact NE2-O 3.08Å; Q212-F218 VanDerWaalsContact CD-O 3.27Å; Q212-F218 PolarHBondContact OE1-O 2.73Å; Q212-P219 VanDerWaalsContact OE1-CD 3.23Å; Q212-H220 PolarHBondContact NE2-O 2.73Å; Q212-H222 PolarHBondContact NE2-CD2 2.95Å; Q212-H222 PolarHBondContact NE2-NE2 2.93Å; Q212-N237 WeakPolarHBondContact O-CB 3.3Å; Q212-Y251 PolarHBondContact N-O 2.68Å
213	R	95.2	Very high	92.5	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-68.5	140.5	174.4	-64.6	174.2	64.4	87.6	12	111.5	L22 N23 Y25 D215 Q216 D236 N237	L22-R213 PolarHBondContact O-NH1 3.24Å; N23-R213 VanDerWaalsContact OD1-CG 3.31Å; N23-R213 WeakPolarHBondContact OD1-CG 3.1Å; Y25-R213 PolarHBondContact O-NH1 3.45Å; R213-D215 WeakPolarHBondContact CB-OD1 3.38Å; R213-D215 IonicContact CZ-OD1 3.24Å; R213-D215 IonicContact CZ-OD2 3Å; R213-D215 IonicContact NE-OD1 3.66Å; R213-D215 PolarHBondContact NE-OD1 2.01Å; R213-D215 IonicContact NE-OD2 3.67Å; R213-D215 IonicContact NH2-OD1 3.53Å; R213-D215 IonicContact NH2-OD2 3.15Å; R213-D215 PolarHBondContact NH2-OD2 3.46Å; R213-D215 PolarHBondContact O-N 2.82Å; R213-Q216 HydrophobicContact CB-CB 4.31Å; R213-Q216 HydrophobicContact CB-CG 4.02Å; R213-Q216 WeakPolarHBondContact O-CB 3.19Å; R213-Q216 PolarHBondContact O-N 2.91Å; R213-D236 CarbonylContact C-O 3.54Å; R213-D236 VanDerWaalsContact CA-O 3.23Å; R213-D236 WeakPolarHBondContact CA-O 3.48Å; R213-D236 IonicContact CZ-OD1 3.58Å; R213-D236 VanDerWaalsContact CZ-OD1 3.26Å; R213-D236 IonicContact NH1-OD1 3.11Å; R213-D236 PolarHBondContact NH1-OD1 2.79Å; R213-D236 IonicContact NH2-OD1 2.73Å; R213-D236 PolarHBondContact NH2-OD1 2.86Å; R213-N237 HydrophobicContact CB-CB 4.29Å; R213-N237 HydrophobicContact CG-CB 3.81Å
214	W	95.1	Very high	92.1	Very high	1 Å²	1	48.2 Å²	48.2	0%	0.004	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-26.2	178.4	-61.5	103.1	0	0	0	112.8	Q216 H222 Y224 P226 L234 D236 Y238 R240 P242 W249 C250 Y251	W214-Q216 PolarHBondContact O-N 2.92Å; W214-H222 PolarHBondContact O-CE1 2.84Å; W214-Y224 HydrophobicContact CZ3-CD2 4.41Å; W214-Y224 HydrophobicContact CZ3-CG 4.33Å; W214-P226 HydrophobicContact CB-CG 3.97Å; W214-P226 VanDerWaalsContact O-CD 3.3Å; W214-P226 WeakPolarHBondContact O-CD 3.42Å; W214-L234 HydrophobicContact CB-CB 3.82Å; W214-L234 HydrophobicContact CD2-CB 4.24Å; W214-L234 HydrophobicContact CD2-CD2 3.95Å; W214-L234 HydrophobicContact CE3-CD1 4.42Å; W214-L234 HydrophobicContact CE3-CD2 4.11Å; W214-L234 HydrophobicContact CG-CB 3.79Å; W214-L234 HydrophobicContact CG-CD2 4.37Å; W214-L234 HydrophobicContact CZ2-CD2 4.39Å; W214-L234 HydrophobicContact CZ3-CD2 4.4Å; W214-D236 PolarHBondContact N-O 2.85Å; W214-Y238 PolarHBondContact NE1-O 2.87Å; W214-R240 HydrophobicContact CZ2-CB 3.83Å; W214-R240 HydrophobicContact CZ2-CG 4.36Å; W214-P242 HydrophobicContact CH2-CG 4.32Å; W214-P242 HydrophobicContact CZ3-CG 4.41Å; W214-W249 HydrophobicContact CH2-CE3 4.24Å; W214-W249 HydrophobicContact CH2-CH2 4.2Å; W214-W249 HydrophobicContact CH2-CZ3 4.05Å; W214-W249 HydrophobicContact CZ3-CH2 4.2Å; W214-W249 HydrophobicContact CZ3-CZ3 4.27Å; W214-C250 HydrophobicContact CZ2-CB 4.38Å; W214-Y251 HydrophobicContact CE3-CD2 4.27Å; W214-Y251 HydrophobicContact CE3-CE2 4.43Å; W214-Y251 AromaticContact CZ3-CD2 3.87Å; W214-Y251 HydrophobicContact CZ3-CD2 3.87Å; W214-Y251 AromaticContact CZ3-CE2 3.84Å; W214-Y251 HydrophobicContact CZ3-CE2 3.84Å
215	D	90.8	Very high	91.6	Very high	46 Å²	46	49 Å²	49	25%	0.246	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	1.3	174.1	59.2	3.5	0	0	0	113.4	R27 R213 P226	R27-D215 IonicContact NH1-OD2 3.04Å; R213-D215 WeakPolarHBondContact CB-OD1 3.38Å; R213-D215 IonicContact CZ-OD1 3.24Å; R213-D215 IonicContact CZ-OD2 3Å; R213-D215 IonicContact NE-OD1 3.66Å; R213-D215 PolarHBondContact NE-OD1 2.01Å; R213-D215 IonicContact NE-OD2 3.67Å; R213-D215 IonicContact NH2-OD1 3.53Å; R213-D215 IonicContact NH2-OD2 3.15Å; R213-D215 PolarHBondContact NH2-OD2 3.46Å; R213-D215 PolarHBondContact O-N 2.82Å; D215-P226 HydrophobicContact CB-CG 4.25Å
216	Q	91.1	Very high	91.1	Very high	34 Å²	34	50 Å²	50	16%	0.159	26%	0.259	C	S	.	.			trans	-109.8	154.2	178.1	-67.7	-174.9	-17.5	0	0	112.1	S20 Q212 R213 W214 H222	S20-Q216 PolarHBondContact OG-NE2 2.73Å; Q212-Q216 HydrophobicContact CG-CB 4.41Å; Q212-Q216 PolarHBondContact NE2-O 3.42Å; Q212-Q216 VanDerWaalsContact NE2-O 3.08Å; R213-Q216 HydrophobicContact CB-CB 4.31Å; R213-Q216 HydrophobicContact CB-CG 4.02Å; R213-Q216 WeakPolarHBondContact O-CB 3.19Å; R213-Q216 PolarHBondContact O-N 2.91Å; W214-Q216 PolarHBondContact O-N 2.92Å; Q216-H222 PolarHBondContact O-NE2 3.39Å; Q216-H222 VanDerWaalsContact O-NE2 3.1Å
217	Q	90.8	Very high	90.3	Very high	61 Å²	61	49.4 Å²	49.4	29%	0.285	26%	0.257	S	S	.	.			trans	-121.7	20.7	-178.8	-66.2	-63.9	-64.3	0	0	112	H220 Q221 H222 Q225	Q217-H220 CarbonylContact C-O 3.55Å; Q217-H220 VanDerWaalsContact C-O 3.27Å; Q217-H220 CarbonylContact O-C 3.55Å; Q217-Q221 HydrophobicContact CB-CG 4.38Å; Q217-Q221 WeakPolarHBondContact O-CG 3.2Å; Q217-H222 PolarHBondContact NE2-CE1 2.92Å; Q217-H222 PolarHBondContact NE2-ND1 3.13Å; Q217-H222 PolarHBondContact NE2-O 2.95Å; Q217-H222 PolarHBondContact OE1-O 3.14Å; Q217-H222 VanDerWaalsContact OE1-O 3.1Å; Q217-Q225 VanDerWaalsContact CD-NE2 3.3Å
218	F	88.9	Confident	89.3	Confident	120 Å²	120	52.5 Å²	52.5	53%	0.526	26%	0.262	S	S	.	.	S	Bend	trans	-143.9	139	-179.9	-178.6	-91	0	0	0	109.4	Q212 H220	Q212-F218 VanDerWaalsContact CD-O 3.27Å; Q212-F218 PolarHBondContact OE1-O 2.73Å; F218-H220 VanDerWaalsContact C-N 3.34Å
219	P	92.1	Very high	88.5	Confident	33 Å²	33	53 Å²	53	21%	0.214	25%	0.249	C	C	.	.	S	Bend	cis	-67.9	-24.9	0.1	28	-36	0	0	0	114.4	Q212 P255	Q212-P219 VanDerWaalsContact OE1-CD 3.23Å; P219-P255 HydrophobicContact CB-CB 4.49Å; P219-P255 HydrophobicContact CB-CG 4.35Å
220	H	92.9	Very high	87.5	Confident	20 Å²	20	55.4 Å²	55.4	9%	0.093	27%	0.27	C	S	.	.	S	Bend	trans	-103.8	126.9	-175.3	-53.6	-57.3	0	0	0	111.5	Q212 Q217 F218 H222 Y251 T252 D254 P255 T257 E258	Q212-H220 PolarHBondContact NE2-O 2.73Å; Q217-H220 CarbonylContact C-O 3.55Å; Q217-H220 VanDerWaalsContact C-O 3.27Å; Q217-H220 CarbonylContact O-C 3.55Å; F218-H220 VanDerWaalsContact C-N 3.34Å; H220-H222 PolarHBondContact O-CD2 2.92Å; H220-Y251 HydrophobicContact CB-CD1 4.02Å; H220-T252 PolarHBondContact CD2-O 3.33Å; H220-T252 PolarHBondContact NE2-O 2.98Å; H220-D254 PolarHBondContact CE1-O 3.19Å; H220-D254 PolarHBondContact NE2-O 2.99Å; H220-P255 PolarHBondContact CE1-O 3.25Å; H220-T257 PolarHBondContact NE2-O 3.45Å; H220-T257 VanDerWaalsContact NE2-O 3.1Å; H220-E258 HydrophobicContact CB-CG 4.33Å; H220-E258 PolarHBondContact CD2-O 3.36Å; H220-E258 VanDerWaalsContact CD2-O 3.3Å
221	Q	91.3	Very high	86.4	Confident	159 Å²	159	58.5 Å²	58.5	74%	0.743	29%	0.287	S	S	*	.			trans	-79.8	137	169.8	-68	-174.5	-3	0	0	109.6	Q217	Q217-Q221 HydrophobicContact CB-CG 4.38Å; Q217-Q221 WeakPolarHBondContact O-CG 3.2Å
222	H	88.8	Confident	85.5	Confident	12 Å²	12	61.1 Å²	61.1	6%	0.056	30%	0.298	C	S	.	.			trans	-153.7	156.8	-175.5	61.5	72.9	0	0	0	114.3	Q212 W214 Q216 Q217 H220 Y224 Y251	Q212-H222 PolarHBondContact NE2-CD2 2.95Å; Q212-H222 PolarHBondContact NE2-NE2 2.93Å; W214-H222 PolarHBondContact O-CE1 2.84Å; Q216-H222 PolarHBondContact O-NE2 3.39Å; Q216-H222 VanDerWaalsContact O-NE2 3.1Å; Q217-H222 PolarHBondContact NE2-CE1 2.92Å; Q217-H222 PolarHBondContact NE2-ND1 3.13Å; Q217-H222 PolarHBondContact NE2-O 2.95Å; Q217-H222 PolarHBondContact OE1-O 3.14Å; Q217-H222 VanDerWaalsContact OE1-O 3.1Å; H220-H222 PolarHBondContact O-CD2 2.92Å; H222-Y224 PolarHBondContact CE1-O 2.85Å; H222-Y224 PolarHBondContact ND1-N 3.47Å; H222-Y224 PolarHBondContact ND1-O 2.81Å; H222-Y251 HydrophobicContact CB-CD1 4.31Å; H222-Y251 HydrophobicContact CB-CD2 4.01Å; H222-Y251 HydrophobicContact CB-CE1 3.69Å; H222-Y251 HydrophobicContact CB-CE2 3.33Å; H222-Y251 HydrophobicContact CB-CG 4.46Å; H222-Y251 WeakPolarHBondContact CB-OH 3.28Å; H222-Y251 AromaticContact CD2-CD2 3.3Å; H222-Y251 WeakPolarHBondContact CD2-CD2 3.27Å; H222-Y251 AromaticContact CD2-CE2 3.55Å; H222-Y251 AromaticContact CD2-CG 3.67Å; H222-Y251 AromaticContact CG-CD2 3.63Å; H222-Y251 AromaticContact CG-CE2 3.33Å; H222-Y251 AromaticContact CG-CZ 3.76Å; H222-Y251 AromaticContact ND1-CE2 3.87Å; H222-Y251 AromaticContact NE2-CD2 3.72Å
223	I	83.6	Confident	85.1	Confident	95 Å²	95	62.6 Å²	62.6	49%	0.487	31%	0.309	S	S	.	.	S	Bend	trans	-75.2	-27.1	-177	64	173.7	0	0	0	113.5	Q225 Y229	I223-Q225 VanDerWaalsContact C-N 3.28Å; I223-Q225 PolarHBondContact O-N 3.08Å; I223-Y229 VanDerWaalsContact O-CE2 3.24Å; I223-Y229 WeakPolarHBondContact O-CE2 3.44Å
224	Y	86.9	Confident	84.9	Confident	36 Å²	36	62.7 Å²	62.7	14%	0.141	31%	0.309	C	S	.	.			trans	-79.8	67.4	-171.6	-61.4	-70	0	0	0	112.8	W214 H222 Y229 L234 P242 D243 W249 Y251	W214-Y224 HydrophobicContact CZ3-CD2 4.41Å; W214-Y224 HydrophobicContact CZ3-CG 4.33Å; H222-Y224 PolarHBondContact CE1-O 2.85Å; H222-Y224 PolarHBondContact ND1-N 3.47Å; H222-Y224 PolarHBondContact ND1-O 2.81Å; Y224-Y229 HydrophobicContact CD1-CD2 4.25Å; Y224-Y229 HydrophobicContact CD1-CE2 4.13Å; Y224-L234 WeakPolarHBondContact O-CD1 3.41Å; Y224-P242 HydrophobicContact CD1-CB 3.74Å; Y224-P242 HydrophobicContact CD1-CG 3.73Å; Y224-P242 HydrophobicContact CD2-CG 4.36Å; Y224-P242 HydrophobicContact CE1-CB 3.91Å; Y224-P242 HydrophobicContact CE1-CG 3.92Å; Y224-P242 HydrophobicContact CG-CB 4.44Å; Y224-P242 HydrophobicContact CG-CG 3.97Å; Y224-D243 HydrophobicContact CE1-CB 4.4Å; Y224-D243 VanDerWaalsContact OH-CB 3.24Å; Y224-D243 WeakPolarHBondContact OH-CB 3.38Å; Y224-W249 AromaticContact CD2-CH2 3.78Å; Y224-W249 HydrophobicContact CD2-CH2 3.78Å; Y224-W249 HydrophobicContact CD2-CZ2 4.09Å; Y224-W249 AromaticContact CE2-CH2 3.81Å; Y224-W249 HydrophobicContact CE2-CH2 3.81Å; Y224-W249 AromaticContact CE2-CZ2 3.8Å; Y224-W249 HydrophobicContact CE2-CZ2 3.8Å; Y224-Y251 HydrophobicContact CD2-CE2 4.08Å
225	Q	83.7	Confident	84.6	Confident	72 Å²	72	66.3 Å²	66.3	34%	0.336	33%	0.328	S	S	.	.			trans	-89	137.2	174.5	-68.2	172.4	25.9	0	0	110.3	Q217 I223 E227 K228 Y229	Q217-Q225 VanDerWaalsContact CD-NE2 3.3Å; I223-Q225 VanDerWaalsContact C-N 3.28Å; I223-Q225 PolarHBondContact O-N 3.08Å; Q225-E227 PolarHBondContact O-N 3.17Å; Q225-K228 HydrophobicContact CB-CB 4.47Å; Q225-K228 PolarHBondContact O-N 2.93Å; Q225-Y229 PolarHBondContact O-N 3.16Å
226	P	83.3	Confident	84.7	Confident	28 Å²	28	64.5 Å²	64.5	18%	0.182	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-35.7	-178.8	-25.6	34.3	0	0	0	113.3	W214 D215 K228 Y229 P230 L234	W214-P226 HydrophobicContact CB-CG 3.97Å; W214-P226 VanDerWaalsContact O-CD 3.3Å; W214-P226 WeakPolarHBondContact O-CD 3.42Å; D215-P226 HydrophobicContact CB-CG 4.25Å; P226-K228 VanDerWaalsContact C-N 3.26Å; P226-K228 PolarHBondContact O-N 2.98Å; P226-Y229 CarbonylContact O-C 3.37Å; P226-Y229 VanDerWaalsContact O-C 3.3Å; P226-Y229 PolarHBondContact O-N 3.06Å; P226-P230 WeakPolarHBondContact O-CA 3.41Å; P226-P230 VanDerWaalsContact O-N 3.14Å; P226-L234 HydrophobicContact CB-CB 4.3Å; P226-L234 HydrophobicContact CG-CB 3.96Å; P226-L234 VanDerWaalsContact CG-O 3.25Å; P226-L234 WeakPolarHBondContact CG-O 3.22Å
227	E	77.1	Confident	84.9	Confident	123 Å²	123	62.9 Å²	62.9	58%	0.575	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-30.4	179.4	-60.2	74.1	-161.9	0	0	112.2	Q225	Q225-E227 PolarHBondContact O-N 3.17Å
228	K	72.1	Confident	85.2	Confident	132 Å²	132	60.4 Å²	60.4	57%	0.574	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-29.6	179	-172.3	173.6	177.3	178.4	0	112.3	Q225 P226 P230	Q225-K228 HydrophobicContact CB-CB 4.47Å; Q225-K228 PolarHBondContact O-N 2.93Å; P226-K228 VanDerWaalsContact C-N 3.26Å; P226-K228 PolarHBondContact O-N 2.98Å; K228-P230 VanDerWaalsContact C-CD 3.43Å
229	Y	74.6	Confident	85.5	Confident	62 Å²	62	54.7 Å²	54.7	24%	0.243	27%	0.274	C	S	.	.			trans	-128.2	62.3	-177.6	-58.3	-76.8	0	0	0	112.3	I223 Y224 Q225 P226 D231 K232	I223-Y229 VanDerWaalsContact O-CE2 3.24Å; I223-Y229 WeakPolarHBondContact O-CE2 3.44Å; Y224-Y229 HydrophobicContact CD1-CD2 4.25Å; Y224-Y229 HydrophobicContact CD1-CE2 4.13Å; Q225-Y229 PolarHBondContact O-N 3.16Å; P226-Y229 CarbonylContact O-C 3.37Å; P226-Y229 VanDerWaalsContact O-C 3.3Å; P226-Y229 PolarHBondContact O-N 3.06Å; Y229-D231 PolarHBondContact O-N 2.85Å; Y229-K232 PolarHBondContact O-N 3.15Å; Y229-K232 VanDerWaalsContact O-N 3.07Å
230	P	73.8	Confident	85.7	Confident	104 Å²	104	53.4 Å²	53.4	68%	0.675	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-66.4	-20.8	-174.8	27.2	-36	0	0	0	113.4	P226 K228 K232	P226-P230 WeakPolarHBondContact O-CA 3.41Å; P226-P230 VanDerWaalsContact O-N 3.14Å; K228-P230 VanDerWaalsContact C-CD 3.43Å; P230-K232 VanDerWaalsContact C-N 3.31Å
231	D	70.2	Confident	85.7	Confident	88 Å²	88	52.6 Å²	52.6	47%	0.471	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-79.6	-11.5	176.6	64.3	-40.6	0	0	0	113.6	Y229 R288	Y229-D231 PolarHBondContact O-N 2.85Å; D231-R288 IonicContact OD2-NH2 2.92Å
232	K	78.4	Confident	85.5	Confident	56 Å²	56	45.5 Å²	45.5	24%	0.243	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-90.5	-2.6	-178.1	-62.4	-63.9	-174	156.7	0	113.8	Y229 P230 L234 P242	Y229-K232 PolarHBondContact O-N 3.15Å; Y229-K232 VanDerWaalsContact O-N 3.07Å; P230-K232 VanDerWaalsContact C-N 3.31Å; K232-L234 VanDerWaalsContact C-N 3.29Å; K232-L234 HydrophobicContact CB-CD1 4.3Å; K232-L234 HydrophobicContact CB-CD2 4.07Å; K232-L234 HydrophobicContact CB-CG 3.84Å; K232-L234 PolarHBondContact O-N 3.35Å; K232-P242 HydrophobicContact CB-CB 4.3Å; K232-P242 HydrophobicContact CD-CB 4.31Å; K232-P242 WeakPolarHBondContact CE-O 3.08Å; K232-P242 HydrophobicContact CG-CB 4.23Å; K232-P242 PolarHBondContact NZ-O 3.46Å
233	S	85.8	Confident	85.2	Confident	32 Å²	32	47.4 Å²	47.4	22%	0.224	24%	0.24	C	C	.	.			trans	51.3	48.9	177.8	-154	0	0	0	0	111.9	R199 D235 R240	R199-S233 VanDerWaalsContact CD-CB 3.46Å; R199-S233 VanDerWaalsContact CD-OG 3.27Å; R199-S233 WeakPolarHBondContact CD-OG 3.25Å; R199-S233 PolarHBondContact NE-OG 2.79Å; S233-D235 PolarHBondContact O-N 2.89Å; S233-D235 VanDerWaalsContact O-OD2 3.06Å; S233-D235 PolarHBondContact OG-OD2 2.76Å; S233-R240 WeakPolarHBondContact O-CD 3.05Å; S233-R240 PolarHBondContact O-NE 2.94Å
234	L	91.6	Very high	85.1	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.016	22%	0.219	C	C	.	.			trans	-77.4	57.3	-178.6	-61.4	-179.7	0	0	0	110.3	W214 Y224 P226 K232 R240 P242	W214-L234 HydrophobicContact CB-CB 3.82Å; W214-L234 HydrophobicContact CD2-CB 4.24Å; W214-L234 HydrophobicContact CD2-CD2 3.95Å; W214-L234 HydrophobicContact CE3-CD1 4.42Å; W214-L234 HydrophobicContact CE3-CD2 4.11Å; W214-L234 HydrophobicContact CG-CB 3.79Å; W214-L234 HydrophobicContact CG-CD2 4.37Å; W214-L234 HydrophobicContact CZ2-CD2 4.39Å; W214-L234 HydrophobicContact CZ3-CD2 4.4Å; Y224-L234 WeakPolarHBondContact O-CD1 3.41Å; P226-L234 HydrophobicContact CB-CB 4.3Å; P226-L234 HydrophobicContact CG-CB 3.96Å; P226-L234 VanDerWaalsContact CG-O 3.25Å; P226-L234 WeakPolarHBondContact CG-O 3.22Å; K232-L234 VanDerWaalsContact C-N 3.29Å; K232-L234 HydrophobicContact CB-CD1 4.3Å; K232-L234 HydrophobicContact CB-CD2 4.07Å; K232-L234 HydrophobicContact CB-CG 3.84Å; K232-L234 PolarHBondContact O-N 3.35Å; L234-R240 HydrophobicContact CD2-CB 3.94Å; L234-R240 HydrophobicContact CD2-CG 4.09Å; L234-P242 HydrophobicContact CD2-CB 4.14Å; L234-P242 HydrophobicContact CD2-CG 4.25Å
235	D	89.8	Confident	85.1	Confident	76 Å²	76	42.2 Å²	42.2	41%	0.406	22%	0.218	S	C	.	.			trans	-79.8	133	-172.8	-45.6	-60.6	0	0	0	110.3	S233 N237 Y238 R240	S233-D235 PolarHBondContact O-N 2.89Å; S233-D235 VanDerWaalsContact O-OD2 3.06Å; S233-D235 PolarHBondContact OG-OD2 2.76Å; D235-N237 PolarHBondContact O-N 2.87Å; D235-Y238 HydrophobicContact CB-CD2 4.23Å; D235-Y238 WeakPolarHBondContact O-CD2 3.09Å; D235-Y238 PolarHBondContact O-N 3.17Å; D235-R240 IonicContact OD2-NH2 3.98Å
236	D	92.9	Very high	85.3	Confident	8 Å²	8	41.9 Å²	41.9	4%	0.043	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	-124.7	178.4	-57.8	-48.3	0	0	0	113.1	Q26 R27 R213 W214 Y238	Q26-D236 VanDerWaalsContact CA-OD2 3.32Å; Q26-D236 WeakPolarHBondContact CA-OD2 3.39Å; R27-D236 WeakPolarHBondContact CB-OD1 3.4Å; R27-D236 PolarHBondContact N-OD1 2.02Å; R27-D236 PolarHBondContact N-OD2 2.79Å; R213-D236 CarbonylContact C-O 3.54Å; R213-D236 VanDerWaalsContact CA-O 3.23Å; R213-D236 WeakPolarHBondContact CA-O 3.48Å; R213-D236 IonicContact CZ-OD1 3.58Å; R213-D236 VanDerWaalsContact CZ-OD1 3.26Å; R213-D236 IonicContact NH1-OD1 3.11Å; R213-D236 PolarHBondContact NH1-OD1 2.79Å; R213-D236 IonicContact NH2-OD1 2.73Å; R213-D236 PolarHBondContact NH2-OD1 2.86Å; W214-D236 PolarHBondContact N-O 2.85Å; D236-Y238 HydrophobicContact CB-CD2 4.12Å; D236-Y238 HydrophobicContact CB-CE2 3.88Å; D236-Y238 VanDerWaalsContact OD2-CE2 3.29Å; D236-Y238 WeakPolarHBondContact OD2-CE2 3.36Å
237	N	95.2	Very high	85.6	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.6	23.9	175.2	68.3	-25.1	0	0	0	111.6	N23 K103 C211 Q212 R213 D235	N23-N237 PolarHBondContact ND2-ND2 3.28Å; K103-N237 PolarHBondContact NZ-OD1 2.97Å; C211-N237 HydrophobicContact CB-CB 3.88Å; C211-N237 WeakPolarHBondContact CB-O 3.44Å; C211-N237 VanDerWaalsContact O-CB 3.27Å; C211-N237 WeakPolarHBondContact O-CB 3.37Å; C211-N237 PolarHBondContact O-ND2 3.03Å; Q212-N237 WeakPolarHBondContact O-CB 3.3Å; R213-N237 HydrophobicContact CB-CB 4.29Å; R213-N237 HydrophobicContact CG-CB 3.81Å; D235-N237 PolarHBondContact O-N 2.87Å
238	Y	95.5	Very high	86.5	Confident	9 Å²	9	37.2 Å²	37.2	4%	0.035	20%	0.201	C	C	.	.			trans	-71.7	146.1	-178.7	-57.4	-56.9	0	0	0	111.1	K103 Q201 V202 D203 W214 D235 D236 R240	K103-Y238 WeakPolarHBondContact CE-OH 3.33Å; Q201-Y238 VanDerWaalsContact C-CD1 3.42Å; Q201-Y238 VanDerWaalsContact CA-CD1 3.48Å; Q201-Y238 HydrophobicContact CB-CD1 4.2Å; Q201-Y238 HydrophobicContact CB-CE1 3.82Å; Q201-Y238 HydrophobicContact CG-CE1 4.28Å; Q201-Y238 VanDerWaalsContact O-CD1 3.28Å; Q201-Y238 WeakPolarHBondContact O-CD1 3.43Å; Q201-Y238 WeakPolarHBondContact O-CE1 3.26Å; V202-Y238 CarbonylContact O-C 3.38Å; V202-Y238 VanDerWaalsContact O-CA 3.25Å; V202-Y238 WeakPolarHBondContact O-CA 3.26Å; D203-Y238 HydrophobicContact CB-CD1 4.16Å; W214-Y238 PolarHBondContact NE1-O 2.87Å; D235-Y238 HydrophobicContact CB-CD2 4.23Å; D235-Y238 WeakPolarHBondContact O-CD2 3.09Å; D235-Y238 PolarHBondContact O-N 3.17Å; D236-Y238 HydrophobicContact CB-CD2 4.12Å; D236-Y238 HydrophobicContact CB-CE2 3.88Å; D236-Y238 VanDerWaalsContact OD2-CE2 3.29Å; D236-Y238 WeakPolarHBondContact OD2-CE2 3.36Å; Y238-R240 PolarHBondContact O-N 3.28Å
239	C	96.6	Very high	87.7	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.175	C	C	.	.			trans	-59.2	133.5	174.3	-58.4	0	0	0	0	110.7	Y198 V202 C211 P248 C262 I264	Y198-C239 VanDerWaalsContact CD1-O 3.32Å; Y198-C239 WeakPolarHBondContact CD1-O 3.45Å; Y198-C239 HydrophobicContact CE1-CB 4.45Å; Y198-C239 WeakPolarHBondContact CE1-O 3.25Å; V202-C239 PolarHBondContact O-N 2.95Å; V202-C239 PolarHBondContact O-SG 2.93Å; C211-C239 VanDerWaalsContact SG-SG 3.7Å; C239-P248 HydrophobicContact CB-CB 4.31Å; C239-C262 HydrophobicContact CB-CB 3.6Å; C239-C262 WeakPolarHBondContact CB-SG 3Å; C239-C262 WeakPolarHBondContact SG-CB 3.33Å; C239-C262 CovalentContact SG-SG 2.02Å; C239-C262 PolarHBondContact SG-SG 3.08Å; C239-I264 HydrophobicContact CB-CD1 4.22Å
240	R	96.4	Very high	88.8	Confident	6 Å²	6	28.4 Å²	28.4	2%	0.023	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-141.6	165.3	-179.3	-67	-64	-179.2	-97.2	0.4	109.9	Y198 G200 W214 S233 L234 D235 Y238 P242 P248 W249	Y198-R240 WeakPolarHBondContact O-CD 3.42Å; G200-R240 PolarHBondContact O-NH1 3.25Å; W214-R240 HydrophobicContact CZ2-CB 3.83Å; W214-R240 HydrophobicContact CZ2-CG 4.36Å; S233-R240 WeakPolarHBondContact O-CD 3.05Å; S233-R240 PolarHBondContact O-NE 2.94Å; L234-R240 HydrophobicContact CD2-CB 3.94Å; L234-R240 HydrophobicContact CD2-CG 4.09Å; D235-R240 IonicContact OD2-NH2 3.98Å; Y238-R240 PolarHBondContact O-N 3.28Å; R240-P242 VanDerWaalsContact C-CD 3.47Å; R240-P248 WeakPolarHBondContact O-CA 3.45Å; R240-W249 PolarHBondContact N-O 2.95Å; R240-W249 PolarHBondContact O-N 3Å
241	N	92.3	Very high	89.9	Confident	4 Å²	4	24.1 Å²	24.1	2%	0.021	13%	0.134	C	C	.	.			trans	-125.1	73.5	174.3	-168.6	-5	0	0	0	110.6	N194 E196 D243 A244 S245 P248	N194-N241 PolarHBondContact O-ND2 3.32Å; E196-N241 HydrophobicContact CG-CB 4.49Å; N241-D243 VanDerWaalsContact C-N 3.28Å; N241-D243 PolarHBondContact O-N 2.77Å; N241-D243 PolarHBondContact OD1-OD1 3.35Å; N241-A244 WeakPolarHBondContact OD1-CA 3.04Å; N241-A244 PolarHBondContact OD1-N 3.46Å; N241-A244 VanDerWaalsContact OD1-N 3.08Å; N241-S245 PolarHBondContact ND2-O 2.94Å; N241-S245 PolarHBondContact OD1-N 3.13Å; N241-P248 HydrophobicContact CB-CB 4.34Å; N241-P248 HydrophobicContact CB-CG 4.33Å
242	P	87.8	Confident	91.1	Very high	9 Å²	9	20 Å²	20	6%	0.058	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-20.4	-176.9	28.6	-33.6	0	0	0	113.7	W214 Y224 K232 L234 R240 W249	W214-P242 HydrophobicContact CH2-CG 4.32Å; W214-P242 HydrophobicContact CZ3-CG 4.41Å; Y224-P242 HydrophobicContact CD1-CB 3.74Å; Y224-P242 HydrophobicContact CD1-CG 3.73Å; Y224-P242 HydrophobicContact CD2-CG 4.36Å; Y224-P242 HydrophobicContact CE1-CB 3.91Å; Y224-P242 HydrophobicContact CE1-CG 3.92Å; Y224-P242 HydrophobicContact CG-CB 4.44Å; Y224-P242 HydrophobicContact CG-CG 3.97Å; K232-P242 HydrophobicContact CB-CB 4.3Å; K232-P242 HydrophobicContact CD-CB 4.31Å; K232-P242 WeakPolarHBondContact CE-O 3.08Å; K232-P242 HydrophobicContact CG-CB 4.23Å; K232-P242 PolarHBondContact NZ-O 3.46Å; L234-P242 HydrophobicContact CD2-CB 4.14Å; L234-P242 HydrophobicContact CD2-CG 4.25Å; R240-P242 VanDerWaalsContact C-CD 3.47Å; P242-W249 HydrophobicContact CG-CZ2 4.2Å
243	D	82.9	Confident	91.9	Very high	52 Å²	52	19 Å²	19	28%	0.278	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113	10.6	-168.7	68.9	-14.6	0	0	0	114.3	Y224 N241 S245 W249 R259	Y224-D243 HydrophobicContact CE1-CB 4.4Å; Y224-D243 VanDerWaalsContact OH-CB 3.24Å; Y224-D243 WeakPolarHBondContact OH-CB 3.38Å; N241-D243 VanDerWaalsContact C-N 3.28Å; N241-D243 PolarHBondContact O-N 2.77Å; N241-D243 PolarHBondContact OD1-OD1 3.35Å; D243-S245 PolarHBondContact O-N 2.68Å; D243-S245 VanDerWaalsContact OD1-CB 3.27Å; D243-S245 WeakPolarHBondContact OD1-CB 3.2Å; D243-S245 PolarHBondContact OD1-N 3.38Å; D243-S245 PolarHBondContact OD1-OG 2.86Å; D243-S245 PolarHBondContact OD2-OG 3.15Å; D243-S245 VanDerWaalsContact OD2-OG 3.1Å; D243-W249 PolarHBondContact OD1-NE1 3.18Å; D243-R259 IonicContact OD2-NH1 3.89Å; D243-R259 PolarHBondContact OD2-NH1 3.05Å; D243-R259 VanDerWaalsContact OD2-NH1 3.15Å
244	A	81.1	Confident	92.3	Very high	6 Å²	6	19.8 Å²	19.8	5%	0.05	11%	0.112	C	C	.	.			trans	55.9	37.7	-175.4	0	0	0	0	0	112.7	N241 Y323	N241-A244 WeakPolarHBondContact OD1-CA 3.04Å; N241-A244 PolarHBondContact OD1-N 3.46Å; N241-A244 VanDerWaalsContact OD1-N 3.08Å; A244-Y323 WeakPolarHBondContact O-CE1 3.44Å; A244-Y323 PolarHBondContact O-OH 3.16Å
245	S	87.3	Confident	92.3	Very high	17 Å²	17	22.9 Å²	22.9	12%	0.119	13%	0.133	C	C	.	.			trans	-57.6	164.2	165.8	-75.6	0	0	0	0	111.7	N194 N241 D243 V247 W249	N194-S245 WeakPolarHBondContact CB-O 3.43Å; N194-S245 PolarHBondContact ND2-O 3.11Å; N241-S245 PolarHBondContact ND2-O 2.94Å; N241-S245 PolarHBondContact OD1-N 3.13Å; D243-S245 PolarHBondContact O-N 2.68Å; D243-S245 VanDerWaalsContact OD1-CB 3.27Å; D243-S245 WeakPolarHBondContact OD1-CB 3.2Å; D243-S245 PolarHBondContact OD1-N 3.38Å; D243-S245 PolarHBondContact OD1-OG 2.86Å; D243-S245 PolarHBondContact OD2-OG 3.15Å; D243-S245 VanDerWaalsContact OD2-OG 3.1Å; S245-V247 PolarHBondContact O-N 2.88Å; S245-W249 PolarHBondContact OG-NE1 3.12Å
246	P	86.1	Confident	92.5	Very high	64 Å²	64	27.5 Å²	27.5	42%	0.416	15%	0.152	S	C	.	.	S	Bend	trans	-57.4	-33.8	179	-29.8	38.3	0	0	0	114.7	N194 I322	N194-P246 WeakPolarHBondContact CB-O 3.14Å; P246-I322 HydrophobicContact CB-CG2 3.64Å; P246-I322 HydrophobicContact CG-CG2 3.73Å
247	V	90.6	Very high	92.6	Very high	53 Å²	53	28.6 Å²	28.6	32%	0.321	16%	0.159	S	C	.	.	S	Bend	trans	-144.4	161.7	178.2	-67.1	0	0	0	0	109.7	S245	S245-V247 PolarHBondContact O-N 2.88Å
248	P	95.4	Very high	92.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.			trans	-60.9	147.6	172.3	-21.6	35.2	0	0	0	112.1	I191 N194 Y198 C239 R240 N241 C262 I264	I191-P248 HydrophobicContact CG2-CG 3.91Å; N194-P248 VanDerWaalsContact O-CD 3.32Å; N194-P248 WeakPolarHBondContact O-CD 3.12Å; Y198-P248 HydrophobicContact CD1-CB 4.38Å; Y198-P248 HydrophobicContact CD1-CG 4.32Å; Y198-P248 HydrophobicContact CG-CG 4.45Å; C239-P248 HydrophobicContact CB-CB 4.31Å; R240-P248 WeakPolarHBondContact O-CA 3.45Å; N241-P248 HydrophobicContact CB-CB 4.34Å; N241-P248 HydrophobicContact CB-CG 4.33Å; P248-C262 PolarHBondContact O-N 3.23Å; P248-I264 HydrophobicContact CB-CD1 3.64Å; P248-I264 HydrophobicContact CG-CD1 3.67Å
249	W	96.6	Very high	92.5	Very high	9 Å²	9	39.3 Å²	39.3	3%	0.034	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	172.6	-175	62.1	-89.8	0	0	0	110	W214 Y224 R240 P242 D243 S245 Y251 R259 E260	W214-W249 HydrophobicContact CH2-CE3 4.24Å; W214-W249 HydrophobicContact CH2-CH2 4.2Å; W214-W249 HydrophobicContact CH2-CZ3 4.05Å; W214-W249 HydrophobicContact CZ3-CH2 4.2Å; W214-W249 HydrophobicContact CZ3-CZ3 4.27Å; Y224-W249 AromaticContact CD2-CH2 3.78Å; Y224-W249 HydrophobicContact CD2-CH2 3.78Å; Y224-W249 HydrophobicContact CD2-CZ2 4.09Å; Y224-W249 AromaticContact CE2-CH2 3.81Å; Y224-W249 HydrophobicContact CE2-CH2 3.81Å; Y224-W249 AromaticContact CE2-CZ2 3.8Å; Y224-W249 HydrophobicContact CE2-CZ2 3.8Å; R240-W249 PolarHBondContact N-O 2.95Å; R240-W249 PolarHBondContact O-N 3Å; P242-W249 HydrophobicContact CG-CZ2 4.2Å; D243-W249 PolarHBondContact OD1-NE1 3.18Å; S245-W249 PolarHBondContact OG-NE1 3.12Å; W249-Y251 HydrophobicContact CH2-CD2 4.25Å; W249-Y251 HydrophobicContact CH2-CE1 4.46Å; W249-Y251 AromaticContact CH2-CE2 3.51Å; W249-Y251 HydrophobicContact CH2-CE2 3.51Å; W249-Y251 AromaticContact CH2-CZ 3.61Å; W249-Y251 HydrophobicContact CZ3-CD1 4.36Å; W249-Y251 AromaticContact CZ3-CD2 3.71Å; W249-Y251 HydrophobicContact CZ3-CD2 3.71Å; W249-Y251 HydrophobicContact CZ3-CE1 4.13Å; W249-Y251 AromaticContact CZ3-CE2 3.43Å; W249-Y251 HydrophobicContact CZ3-CE2 3.43Å; W249-Y251 VanDerWaalsContact CZ3-CE2 3.43Å; W249-Y251 HydrophobicContact CZ3-CG 4.16Å; W249-Y251 AromaticContact CZ3-CZ 3.63Å; W249-R259 HydrophobicContact CE3-CB 3.7Å; W249-R259 HydrophobicContact CE3-CG 4.3Å; W249-R259 HydrophobicContact CZ3-CB 3.78Å; W249-R259 HydrophobicContact CZ3-CG 4.35Å; W249-E260 WeakPolarHBondContact CA-O 3.46Å; W249-E260 VanDerWaalsContact CB-O 3.27Å; W249-E260 WeakPolarHBondContact CB-O 3.24Å
250	C	97.8	Very high	92.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	158.5	169.9	65.3	0	0	0	0	110.4	C211 W214 R259 E260	C211-C250 VanDerWaalsContact CA-SG 3.55Å; C211-C250 HydrophobicContact CB-CB 3.53Å; C211-C250 WeakPolarHBondContact CB-SG 3.41Å; C211-C250 WeakPolarHBondContact SG-CB 3.3Å; C211-C250 CovalentContact SG-SG 2.02Å; C211-C250 PolarHBondContact SG-SG 3.43Å; W214-C250 HydrophobicContact CZ2-CB 4.38Å; C250-R259 VanDerWaalsContact O-CA 3.31Å; C250-R259 WeakPolarHBondContact O-CA 3.42Å; C250-R259 WeakPolarHBondContact O-CB 3.5Å; C250-E260 PolarHBondContact N-O 2.88Å; C250-E260 PolarHBondContact O-N 2.79Å; C250-E260 VanDerWaalsContact O-N 3.14Å
251	Y	97.3	Very high	92.6	Very high	15 Å²	15	43.2 Å²	43.2	6%	0.059	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	146.9	160.7	-67.8	-82.3	0	0	0	108.5	C211 Q212 W214 H220 H222 Y224 W249 E258 R259	C211-Y251 CarbonylContact C-O 3.36Å; C211-Y251 VanDerWaalsContact CA-O 3.32Å; C211-Y251 WeakPolarHBondContact CA-O 3.35Å; Q212-Y251 PolarHBondContact N-O 2.68Å; W214-Y251 HydrophobicContact CE3-CD2 4.27Å; W214-Y251 HydrophobicContact CE3-CE2 4.43Å; W214-Y251 AromaticContact CZ3-CD2 3.87Å; W214-Y251 HydrophobicContact CZ3-CD2 3.87Å; W214-Y251 AromaticContact CZ3-CE2 3.84Å; W214-Y251 HydrophobicContact CZ3-CE2 3.84Å; H220-Y251 HydrophobicContact CB-CD1 4.02Å; H222-Y251 HydrophobicContact CB-CD1 4.31Å; H222-Y251 HydrophobicContact CB-CD2 4.01Å; H222-Y251 HydrophobicContact CB-CE1 3.69Å; H222-Y251 HydrophobicContact CB-CE2 3.33Å; H222-Y251 HydrophobicContact CB-CG 4.46Å; H222-Y251 WeakPolarHBondContact CB-OH 3.28Å; H222-Y251 AromaticContact CD2-CD2 3.3Å; H222-Y251 WeakPolarHBondContact CD2-CD2 3.27Å; H222-Y251 AromaticContact CD2-CE2 3.55Å; H222-Y251 AromaticContact CD2-CG 3.67Å; H222-Y251 AromaticContact CG-CD2 3.63Å; H222-Y251 AromaticContact CG-CE2 3.33Å; H222-Y251 AromaticContact CG-CZ 3.76Å; H222-Y251 AromaticContact ND1-CE2 3.87Å; H222-Y251 AromaticContact NE2-CD2 3.72Å; Y224-Y251 HydrophobicContact CD2-CE2 4.08Å; W249-Y251 HydrophobicContact CH2-CD2 4.25Å; W249-Y251 HydrophobicContact CH2-CE1 4.46Å; W249-Y251 AromaticContact CH2-CE2 3.51Å; W249-Y251 HydrophobicContact CH2-CE2 3.51Å; W249-Y251 AromaticContact CH2-CZ 3.61Å; W249-Y251 HydrophobicContact CZ3-CD1 4.36Å; W249-Y251 AromaticContact CZ3-CD2 3.71Å; W249-Y251 HydrophobicContact CZ3-CD2 3.71Å; W249-Y251 HydrophobicContact CZ3-CE1 4.13Å; W249-Y251 AromaticContact CZ3-CE2 3.43Å; W249-Y251 HydrophobicContact CZ3-CE2 3.43Å; W249-Y251 VanDerWaalsContact CZ3-CE2 3.43Å; W249-Y251 HydrophobicContact CZ3-CG 4.16Å; W249-Y251 AromaticContact CZ3-CZ 3.63Å; Y251-E258 CarbonylContact C-O 3.49Å; Y251-E258 WeakPolarHBondContact CA-O 3.39Å; Y251-E258 HydrophobicContact CD1-CG 4Å; Y251-E258 VanDerWaalsContact CD1-O 3.32Å; Y251-E258 WeakPolarHBondContact CD1-O 3.28Å; Y251-E258 HydrophobicContact CE1-CG 4.01Å; Y251-R259 HydrophobicContact CD1-CB 4.21Å; Y251-R259 HydrophobicContact CE1-CB 4.45Å
252	T	96.6	Very high	92.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-102	157.5	-177	92.8	0	0	0	0	111.8	T205 K209 H220 D254 T257 E258 E260	T205-T252 HydrophobicContact CG2-CG2 3.85Å; K209-T252 HydrophobicContact CB-CG2 4.5Å; K209-T252 HydrophobicContact CD-CG2 4.43Å; H220-T252 PolarHBondContact CD2-O 3.33Å; H220-T252 PolarHBondContact NE2-O 2.98Å; T252-D254 PolarHBondContact O-N 2.69Å; T252-D254 WeakPolarHBondContact OG1-CB 3.45Å; T252-D254 PolarHBondContact OG1-N 3.3Å; T252-D254 VanDerWaalsContact OG1-N 3.11Å; T252-D254 PolarHBondContact OG1-O 3.06Å; T252-T257 WeakPolarHBondContact CB-O 3.42Å; T252-T257 HydrophobicContact CG2-CG2 3.88Å; T252-T257 WeakPolarHBondContact CG2-O 3.27Å; T252-T257 PolarHBondContact OG1-O 2.72Å; T252-E258 PolarHBondContact N-O 2.9Å; T252-E260 HydrophobicContact CG2-CB 4.03Å
253	T	95.1	Very high	93.1	Very high	36 Å²	36	46.4 Å²	46.4	22%	0.221	24%	0.244	C	C	.	.	S	Bend	trans	-76.5	-6.2	171.4	57.5	0	0	0	0	113.1	E210 P255	E210-T253 HydrophobicContact CB-CG2 4.37Å; E210-T253 HydrophobicContact CG-CG2 4.43Å; E210-T253 PolarHBondContact O-N 3.27Å; E210-T253 PolarHBondContact O-OG1 3.15Å; T253-P255 WeakPolarHBondContact O-CD 3.29Å
254	D	94.1	Very high	93.6	Very high	49 Å²	49	44.6 Å²	44.6	26%	0.262	23%	0.234	S	C	.	.	S	Bend	trans	-81.9	117.8	175.4	179.3	-0.6	0	0	0	109.9	K209 H220 T252 E256 T257	K209-D254 HydrophobicContact CD-CB 4.12Å; K209-D254 VanDerWaalsContact CE-OD2 3.31Å; K209-D254 WeakPolarHBondContact CE-OD2 3.34Å; K209-D254 IonicContact NZ-OD2 3.41Å; H220-D254 PolarHBondContact CE1-O 3.19Å; H220-D254 PolarHBondContact NE2-O 2.99Å; T252-D254 PolarHBondContact O-N 2.69Å; T252-D254 WeakPolarHBondContact OG1-CB 3.45Å; T252-D254 PolarHBondContact OG1-N 3.3Å; T252-D254 VanDerWaalsContact OG1-N 3.11Å; T252-D254 PolarHBondContact OG1-O 3.06Å; D254-E256 PolarHBondContact O-N 3.02Å; D254-E256 VanDerWaalsContact O-N 3.14Å; D254-E256 PolarHBondContact OD1-N 2.67Å; D254-T257 CarbonylContact O-C 3.53Å; D254-T257 PolarHBondContact O-N 2.83Å; D254-T257 VanDerWaalsContact O-N 3.1Å; D254-T257 VanDerWaalsContact O-O 3.12Å; D254-T257 PolarHBondContact OD2-OG1 3.1Å
255	P	92.1	Very high	94	Very high	68 Å²	68	46.1 Å²	46.1	44%	0.442	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-23.2	178.5	-23.3	33.8	0	0	0	114.7	A17 P219 H220 T253	A17-P255 HydrophobicContact CB-CG 3.65Å; P219-P255 HydrophobicContact CB-CB 4.49Å; P219-P255 HydrophobicContact CB-CG 4.35Å; H220-P255 PolarHBondContact CE1-O 3.25Å; T253-P255 WeakPolarHBondContact O-CD 3.29Å
256	E	93.6	Very high	94	Very high	173 Å²	173	52.5 Å²	52.5	81%	0.808	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-16.4	-179.4	-60.3	-59.7	131.9	0	0	112.6	D254	D254-E256 PolarHBondContact O-N 3.02Å; D254-E256 VanDerWaalsContact O-N 3.14Å; D254-E256 PolarHBondContact OD1-N 2.67Å
257	T	94.3	Very high	93.9	Very high	30 Å²	30	51.2 Å²	51.2	18%	0.184	26%	0.262	C	S	.	.			trans	-122.2	97.9	-177.4	-53.5	0	0	0	0	110	K209 H220 T252 D254 E260	K209-T257 HydrophobicContact CD-CG2 4.23Å; K209-T257 PolarHBondContact NZ-OG1 3.17Å; H220-T257 PolarHBondContact NE2-O 3.45Å; H220-T257 VanDerWaalsContact NE2-O 3.1Å; T252-T257 WeakPolarHBondContact CB-O 3.42Å; T252-T257 HydrophobicContact CG2-CG2 3.88Å; T252-T257 WeakPolarHBondContact CG2-O 3.27Å; T252-T257 PolarHBondContact OG1-O 2.72Å; D254-T257 CarbonylContact O-C 3.53Å; D254-T257 PolarHBondContact O-N 2.83Å; D254-T257 VanDerWaalsContact O-N 3.1Å; D254-T257 VanDerWaalsContact O-O 3.12Å; D254-T257 PolarHBondContact OD2-OG1 3.1Å; T257-E260 HydrophobicContact CG2-CB 4.25Å
258	E	93.9	Very high	93	Very high	111 Å²	111	53.9 Å²	53.9	52%	0.519	28%	0.278	S	S	.	.	S	Bend	trans	-57.4	-55.6	-177.4	-174.4	-177.6	-175.2	0	0	112.3	H220 Y251 T252	H220-E258 HydrophobicContact CB-CG 4.33Å; H220-E258 PolarHBondContact CD2-O 3.36Å; H220-E258 VanDerWaalsContact CD2-O 3.3Å; Y251-E258 CarbonylContact C-O 3.49Å; Y251-E258 WeakPolarHBondContact CA-O 3.39Å; Y251-E258 HydrophobicContact CD1-CG 4Å; Y251-E258 VanDerWaalsContact CD1-O 3.32Å; Y251-E258 WeakPolarHBondContact CD1-O 3.28Å; Y251-E258 HydrophobicContact CE1-CG 4.01Å; T252-E258 PolarHBondContact N-O 2.9Å
259	R	95.5	Very high	91.1	Very high	124 Å²	124	61.5 Å²	61.5	47%	0.468	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	152.5	178.5	67.1	175.4	-171.4	163	2.8	111.7	D243 W249 C250 Y251	D243-R259 IonicContact OD2-NH1 3.89Å; D243-R259 PolarHBondContact OD2-NH1 3.05Å; D243-R259 VanDerWaalsContact OD2-NH1 3.15Å; W249-R259 HydrophobicContact CE3-CB 3.7Å; W249-R259 HydrophobicContact CE3-CG 4.3Å; W249-R259 HydrophobicContact CZ3-CB 3.78Å; W249-R259 HydrophobicContact CZ3-CG 4.35Å; C250-R259 VanDerWaalsContact O-CA 3.31Å; C250-R259 WeakPolarHBondContact O-CA 3.42Å; C250-R259 WeakPolarHBondContact O-CB 3.5Å; Y251-R259 HydrophobicContact CD1-CB 4.21Å; Y251-R259 HydrophobicContact CE1-CB 4.45Å
260	E	97.4	Very high	88.9	Confident	47 Å²	47	67.4 Å²	67.4	22%	0.22	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	154.1	179.4	-172.5	173.6	-139.8	0	0	110.9	T205 S207 W249 C250 T252 T257	T205-E260 WeakPolarHBondContact CB-OE2 3.07Å; T205-E260 HydrophobicContact CG2-CB 3.74Å; T205-E260 HydrophobicContact CG2-CG 4.24Å; T205-E260 PolarHBondContact OG1-OE2 3.43Å; S207-E260 WeakPolarHBondContact CB-OE1 2.82Å; S207-E260 PolarHBondContact OG-OE1 3.37Å; S207-E260 PolarHBondContact OG-OE2 3.35Å; W249-E260 WeakPolarHBondContact CA-O 3.46Å; W249-E260 VanDerWaalsContact CB-O 3.27Å; W249-E260 WeakPolarHBondContact CB-O 3.24Å; C250-E260 PolarHBondContact N-O 2.88Å; C250-E260 PolarHBondContact O-N 2.79Å; C250-E260 VanDerWaalsContact O-N 3.14Å; T252-E260 HydrophobicContact CG2-CB 4.03Å; T257-E260 HydrophobicContact CG2-CB 4.25Å
261	S	96.7	Very high	86.6	Confident	41 Å²	41	74.7 Å²	74.7	29%	0.287	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	153.7	175.9	43	0	0	0	0	112.2	T205 E206	T205-S261 WeakPolarHBondContact CA-O 3.38Å; T205-S261 WeakPolarHBondContact CB-O 2.93Å; E206-S261 PolarHBondContact N-O 3.47Å
262	C	95.9	Very high	84.2	Confident	7 Å²	7	76.2 Å²	76.2	5%	0.047	40%	0.4	C	S	.	.			trans	-106.8	138.7	173.9	-54.2	0	0	0	0	111.1	V202 C239 P248 I264	V202-C262 HydrophobicContact CG1-CB 4.26Å; C239-C262 HydrophobicContact CB-CB 3.6Å; C239-C262 WeakPolarHBondContact CB-SG 3Å; C239-C262 WeakPolarHBondContact SG-CB 3.33Å; C239-C262 CovalentContact SG-SG 2.02Å; C239-C262 PolarHBondContact SG-SG 3.08Å; P248-C262 PolarHBondContact O-N 3.23Å; C262-I264 HydrophobicContact CB-CD1 4.08Å; C262-I264 HydrophobicContact CB-CG1 4.19Å; C262-I264 PolarHBondContact O-N 2.91Å
263	D	94.1	Very high	81.5	Confident	73 Å²	73	84.4 Å²	84.4	39%	0.39	44%	0.438	S	S	.	.			trans	-76	108.1	171.5	179.6	26.2	0	0	0	109.4	K186 E206	K186-D263 VanDerWaalsContact CB-O 3.23Å; K186-D263 WeakPolarHBondContact CB-O 3.11Å; K186-D263 WeakPolarHBondContact CD-OD2 3.47Å; K186-D263 IonicContact NZ-OD2 3.93Å; K186-D263 PolarHBondContact NZ-OD2 3.44Å; E206-D263 HydrophobicContact CB-CB 4.42Å; E206-D263 HydrophobicContact CG-CB 4.38Å
264	I	93.4	Very high	78.9	Confident	14 Å²	14	92.6 Å²	92.6	7%	0.072	47%	0.471	C	S	.	.			trans	-135	130.6	178.7	-53.4	159.1	0	0	0	108.4	I191 Y198 V202 C239 P248 C262	I191-I264 HydrophobicContact CG2-CB 4.08Å; I191-I264 HydrophobicContact CG2-CD1 4.31Å; I191-I264 HydrophobicContact CG2-CG2 3.67Å; Y198-I264 HydrophobicContact CD1-CD1 3.87Å; Y198-I264 HydrophobicContact CD2-CG2 4.22Å; Y198-I264 HydrophobicContact CE1-CD1 3.48Å; Y198-I264 VanDerWaalsContact CE1-CD1 3.48Å; Y198-I264 HydrophobicContact CE1-CG1 4.38Å; Y198-I264 HydrophobicContact CE2-CD1 4.26Å; Y198-I264 HydrophobicContact CE2-CG2 3.63Å; Y198-I264 HydrophobicContact CG-CD1 4.39Å; V202-I264 HydrophobicContact CB-CG1 4.45Å; V202-I264 HydrophobicContact CG1-CG1 4.44Å; V202-I264 HydrophobicContact CG2-CG1 4.27Å; C239-I264 HydrophobicContact CB-CD1 4.22Å; P248-I264 HydrophobicContact CB-CD1 3.64Å; P248-I264 HydrophobicContact CG-CD1 3.67Å; C262-I264 HydrophobicContact CB-CD1 4.08Å; C262-I264 HydrophobicContact CB-CG1 4.19Å; C262-I264 PolarHBondContact O-N 2.91Å
265	S	91.2	Very high	76.5	Confident	38 Å²	38	101 Å²	101	27%	0.266	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-66.6	139.2	-175.5	-76	0	0	0	0	112.1	K186 D187 C190 I191	K186-S265 WeakPolarHBondContact O-CB 3.07Å; K186-S265 PolarHBondContact O-N 2.82Å; D187-S265 WeakPolarHBondContact OD1-CB 3.33Å; D187-S265 PolarHBondContact OD1-OG 2.88Å; C190-S265 CarbonylContact C-O 3.55Å; C190-S265 WeakPolarHBondContact CA-O 3.42Å; C190-S265 WeakPolarHBondContact CB-O 3.31Å; I191-S265 PolarHBondContact N-O 3.11Å
266	K	86.8	Confident	74.6	Confident	151 Å²	151	102.6 Å²	102.6	66%	0.657	50%	0.5	S	S	*	.	B	Isolated β-bridge	trans	-76.6	142.6	170.1	-70.4	-172.2	174.6	-173.7	0	110	I191 T268	I191-K266 HydrophobicContact CD1-CG 4.2Å; I191-K266 HydrophobicContact CG1-CG 3.97Å; K266-T268 PolarHBondContact O-N 2.99Å
267	C	82.8	Confident	72.2	Confident	37 Å²	37	106.2 Å²	106.2	25%	0.25	51%	0.506	C	S	.	.	P	Polyproline II helix	trans	-64.6	122.4	177.1	-56.7	0	0	0	0	110.5	C190 I191	C190-C267 VanDerWaalsContact C-SG 3.59Å; C190-C267 HydrophobicContact CB-CB 3.92Å; C190-C267 WeakPolarHBondContact CB-SG 3.19Å; C190-C267 WeakPolarHBondContact SG-CA 3.35Å; C190-C267 WeakPolarHBondContact SG-CB 3.25Å; C190-C267 CovalentContact SG-SG 2.03Å; C190-C267 PolarHBondContact SG-SG 2.97Å; I191-C267 PolarHBondContact O-N 2.8Å; I191-C267 VanDerWaalsContact O-N 3.16Å; I191-C267 PolarHBondContact O-SG 2.87Å
268	T	72.3	Confident	70	Confident	108 Å²	108	110 Å²	110	66%	0.663	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-66.5	137.8	173.1	39.5	0	0	0	0	111.2	K266 V270 L271	K266-T268 PolarHBondContact O-N 2.99Å; T268-V270 PolarHBondContact O-N 3.19Å; T268-L271 PolarHBondContact O-N 2.83Å
269	E	56.7	Low	68.6	Low	161 Å²	161	107.3 Å²	107.3	75%	0.752	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-53.9	-16.9	-171.5	-65.3	-176.2	157.1	0	0	115.8	L271 V272	E269-L271 PolarHBondContact O-N 2.86Å; E269-L271 VanDerWaalsContact O-N 3.15Å; E269-V272 WeakPolarHBondContact O-CB 3.14Å; E269-V272 PolarHBondContact O-N 3.41Å
270	V	49.9	Very low	67.5	Low	132 Å²	132	106.7 Å²	106.7	80%	0.8	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-65.7	-18.1	-178.2	-172.7	0	0	0	0	113.1	T268	T268-V270 PolarHBondContact O-N 3.19Å
271	L	48.4	Very low	66.6	Low	154 Å²	154	104.8 Å²	104.8	81%	0.806	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-99	-4.8	170.1	-68.8	172.1	0	0	0	113.7	T268 E269	T268-L271 PolarHBondContact O-N 2.83Å; E269-L271 PolarHBondContact O-N 2.86Å; E269-L271 VanDerWaalsContact O-N 3.15Å
272	V	48	Very low	66.1	Low	47 Å²	47	106.6 Å²	106.6	29%	0.285	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-21.9	-173.2	-177	0	0	0	0	112.2	E269 K274 R275 Q276	E269-V272 WeakPolarHBondContact O-CB 3.14Å; E269-V272 PolarHBondContact O-N 3.41Å; V272-K274 PolarHBondContact O-N 3.26Å; V272-R275 PolarHBondContact O-N 2.75Å; V272-Q276 HydrophobicContact CG1-CB 3.99Å; V272-Q276 HydrophobicContact CG1-CG 4.07Å
273	E	40	Very low	65.4	Low	171 Å²	171	113.2 Å²	113.2	80%	0.799	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	2.1	-173.6	-70.1	-157.4	141.8	0	0	116.6
274	K	40.8	Very low	64.7	Low	209 Å²	209	111.2 Å²	111.2	91%	0.909	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.1	2.1	172.1	-79.2	-171.5	-176.5	-180	0	116.7	V272	V272-K274 PolarHBondContact O-N 3.26Å
275	R	42	Very low	63.9	Low	226 Å²	226	111 Å²	111	85%	0.853	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117	-27.4	174.7	-95	-178	172.3	176.9	-2.5	115.7	V272	V272-R275 PolarHBondContact O-N 2.75Å
276	Q	52.3	Low	63.2	Low	100 Å²	100	112.3 Å²	112.3	47%	0.467	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.9	4.8	-164.8	-72.2	-159.5	-17.4	0	0	117.7	V272	V272-Q276 HydrophobicContact CG1-CB 3.99Å; V272-Q276 HydrophobicContact CG1-CG 4.07Å
277	R	43	Very low	62.4	Low	250 Å²	250	106.9 Å²	106.9	94%	0.943	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	2.1	176.7	-91.6	-176.4	173	172.2	0.7	116.1
278	S	48.6	Very low	61.9	Low	109 Å²	109	110.3 Å²	110.3	76%	0.762	55%	0.548	S	S	*	.	S	Bend	trans	-114.8	-5.5	-173.3	80.2	0	0	0	0	117.8
279	S	64	Low	62.2	Low	54 Å²	54	105.1 Å²	105.1	38%	0.378	52%	0.516	S	S	.	.			trans	-114.6	-1.1	-168.9	92.8	0	0	0	0	117.6	R286	S279-R286 PolarHBondContact O-NH1 2.82Å
280	F	74.1	Confident	63.5	Low	111 Å²	111	101 Å²	101	49%	0.487	50%	0.497	S	S	.	.			trans	-72	140.7	177.4	-63	-48.8	0	0	0	111.9	D291 R293	F280-D291 HydrophobicContact CD1-CB 4.14Å; F280-D291 WeakPolarHBondContact CD1-O 3.2Å; F280-R293 HydrophobicContact CB-CB 4.3Å; F280-R293 HydrophobicContact CB-CG 3.94Å; F280-R293 HydrophobicContact CD1-CG 3.77Å; F280-R293 HydrophobicContact CD2-CG 4.39Å; F280-R293 HydrophobicContact CE1-CG 4.39Å; F280-R293 HydrophobicContact CG-CG 3.78Å
281	T	78.3	Confident	65.1	Low	8 Å²	8	96.1 Å²	96.1	5%	0.049	47%	0.466	C	S	.	.	B	Isolated β-bridge	trans	-116.5	134.4	-177.9	55.1	0	0	0	0	110.8	C284 R286 D291 Y292 R293 G294 C362	T281-C284 WeakPolarHBondContact CB-O 3.09Å; T281-C284 PolarHBondContact OG1-O 3.48Å; T281-R286 HydrophobicContact CG2-CG 3.85Å; T281-D291 PolarHBondContact N-O 3.38Å; T281-Y292 CarbonylContact O-C 3.39Å; T281-Y292 WeakPolarHBondContact O-CA 3.18Å; T281-Y292 VanDerWaalsContact O-CD2 3.26Å; T281-Y292 WeakPolarHBondContact O-CD2 3.5Å; T281-R293 PolarHBondContact O-N 2.98Å; T281-G294 PolarHBondContact O-N 2.98Å; T281-C362 VanDerWaalsContact CG2-SG 3.59Å
282	T	85.3	Confident	67.1	Low	79 Å²	79	89 Å²	89	49%	0.485	43%	0.429	S	S	.	.	S	Bend	trans	-112.6	-34.2	-173.6	52.5	0	0	0	0	112.9	Y292 G294	T282-Y292 VanDerWaalsContact O-CE2 3.25Å; T282-Y292 WeakPolarHBondContact O-CE2 3.44Å; T282-Y292 PolarHBondContact O-OH 3.28Å; T282-G294 VanDerWaalsContact O-CA 3.26Å; T282-G294 WeakPolarHBondContact O-CA 3.34Å
283	N	82	Confident	69.2	Low	145 Å²	145	88.9 Å²	88.9	78%	0.775	42%	0.423	S	S	*	.	S	Bend	trans	-101.5	-14.6	-176.7	-62.6	-28.9	0	0	0	113.6
284	C	78.1	Confident	71.6	Confident	32 Å²	32	80.8 Å²	80.8	22%	0.216	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	173.4	179.9	57.4	0	0	0	0	108.3	T281 Y292 K360 C362	T281-C284 WeakPolarHBondContact CB-O 3.09Å; T281-C284 PolarHBondContact OG1-O 3.48Å; C284-Y292 WeakPolarHBondContact O-CD2 3.25Å; C284-K360 CarbonylContact C-O 3.46Å; C284-K360 VanDerWaalsContact C-O 3.3Å; C284-K360 WeakPolarHBondContact CA-O 3.42Å; C284-K360 WeakPolarHBondContact CB-O 3.39Å; C284-C362 HydrophobicContact CB-CB 3.95Å; C284-C362 WeakPolarHBondContact CB-SG 3.18Å; C284-C362 WeakPolarHBondContact SG-CA 3.25Å; C284-C362 WeakPolarHBondContact SG-CB 3.49Å; C284-C362 CovalentContact SG-SG 2.04Å; C284-C362 PolarHBondContact SG-SG 3.43Å
285	F	78	Confident	74.1	Confident	10 Å²	10	78.4 Å²	78.4	4%	0.044	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	149.2	174.8	76.5	-97.1	0	0	0	112.3	Y292 A341 P342 I359 K360 R361 C362	F285-Y292 HydrophobicContact CB-CD2 4.04Å; F285-Y292 HydrophobicContact CB-CG 4.27Å; F285-A341 HydrophobicContact CE1-CB 4.46Å; F285-A341 HydrophobicContact CE2-CB 4.46Å; F285-A341 HydrophobicContact CZ-CB 3.92Å; F285-P342 HydrophobicContact CB-CG 4.02Å; F285-P342 HydrophobicContact CD1-CG 4.03Å; F285-P342 HydrophobicContact CD2-CG 4.41Å; F285-P342 HydrophobicContact CG-CG 3.92Å; F285-I359 HydrophobicContact CB-CG2 4.36Å; F285-I359 HydrophobicContact CD1-CB 4.07Å; F285-I359 HydrophobicContact CD1-CG2 3.75Å; F285-I359 VanDerWaalsContact CE1-O 3.28Å; F285-I359 WeakPolarHBondContact CE1-O 3.47Å; F285-K360 PolarHBondContact N-O 3.42Å; F285-R361 HydrophobicContact CD1-CG 4.5Å; F285-R361 HydrophobicContact CD2-CG 4.27Å; F285-R361 HydrophobicContact CE1-CG 4.01Å; F285-R361 HydrophobicContact CE2-CG 3.77Å; F285-R361 HydrophobicContact CZ-CG 3.62Å; F285-R361 CarbonylContact O-C 3.51Å; F285-R361 VanDerWaalsContact O-CA 3.27Å; F285-R361 WeakPolarHBondContact O-CA 2.98Å; F285-C362 PolarHBondContact O-N 3.29Å
286	R	75.5	Confident	76.5	Confident	65 Å²	65	69.7 Å²	69.7	25%	0.245	35%	0.347	C	S	.	.			trans	-105.6	155.4	175.4	-57.7	-158.9	-176.4	98.6	-6.8	111.3	S279 T281 R288 G289 C362 D364 D365	S279-R286 PolarHBondContact O-NH1 2.82Å; T281-R286 HydrophobicContact CG2-CG 3.85Å; R286-R288 PolarHBondContact O-N 2.05Å; R286-G289 WeakPolarHBondContact O-CA 3.39Å; R286-G289 PolarHBondContact O-N 3.21Å; R286-C362 HydrophobicContact CG-CB 3.96Å; R286-D364 IonicContact CZ-OD1 3.95Å; R286-D364 IonicContact CZ-OD2 3.5Å; R286-D364 VanDerWaalsContact CZ-OD2 3.3Å; R286-D364 IonicContact NE-OD1 3.47Å; R286-D364 PolarHBondContact NE-OD1 3.03Å; R286-D364 IonicContact NE-OD2 2.71Å; R286-D364 PolarHBondContact NE-OD2 3.42Å; R286-D364 VanDerWaalsContact NE-OD2 3.13Å; R286-D364 IonicContact NH2-OD1 3.35Å; R286-D364 IonicContact NH2-OD2 3.87Å; R286-D364 PolarHBondContact NH2-OD2 3.05Å; R286-D365 VanDerWaalsContact CA-OD2 3.28Å; R286-D365 WeakPolarHBondContact CA-OD2 3.49Å; R286-D365 HydrophobicContact CB-CB 3.89Å; R286-D365 HydrophobicContact CG-CB 3.77Å
287	G	70.6	Confident	78.5	Confident	36 Å²	36	67.8 Å²	67.8	37%	0.371	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	-112.3	179.2	0	0	0	0	0	112.3	R361 D365	G287-R361 PolarHBondContact O-NH1 2.9Å; G287-R361 PolarHBondContact O-NH2 3.25Å; G287-D365 VanDerWaalsContact N-CG 3.29Å; G287-D365 PolarHBondContact N-OD1 3.2Å; G287-D365 PolarHBondContact N-OD2 3.12Å
288	R	71.3	Confident	80.6	Confident	109 Å²	109	61 Å²	61	41%	0.411	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-2.2	173.1	-64.7	-172.9	-163.4	178.8	6.7	113.3	D231 R286 E290 N335 G338 S339 A341	D231-R288 IonicContact OD2-NH2 2.92Å; R286-R288 PolarHBondContact O-N 2.05Å; R288-E290 HydrophobicContact CB-CG 4.32Å; R288-N335 PolarHBondContact O-ND2 2Å; R288-G338 WeakPolarHBondContact CD-O 3.45Å; R288-G338 PolarHBondContact NH1-O 2.92Å; R288-S339 WeakPolarHBondContact CB-O 3.02Å; R288-A341 CarbonylContact O-C 3.49Å; R288-A341 WeakPolarHBondContact O-CA 3.5Å
289	G	80.5	Confident	81.9	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.285	C	S	.	.	S	Bend	trans	79.9	25.1	-179.1	0	0	0	0	0	114.2	R286 D291 Y292	R286-G289 WeakPolarHBondContact O-CA 3.39Å; R286-G289 PolarHBondContact O-N 3.21Å; G289-D291 PolarHBondContact O-N 2.77Å; G289-Y292 WeakPolarHBondContact O-CB 3.49Å; G289-Y292 PolarHBondContact O-N 2.78Å
290	E	83.1	Confident	82	Confident	75 Å²	75	57.3 Å²	57.3	35%	0.35	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-25.8	173.6	-61.7	178.2	-127.7	0	0	112.1	R288 R293 K326 N335	R288-E290 HydrophobicContact CB-CG 4.32Å; E290-R293 PolarHBondContact O-NH1 3.22Å; E290-R293 PolarHBondContact O-NH2 3.08Å; E290-K326 IonicContact OE2-NZ 2.69Å; E290-N335 HydrophobicContact CG-CB 4.29Å
291	D	83.4	Confident	81.4	Confident	29 Å²	29	56.5 Å²	56.5	16%	0.155	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	0.7	175.1	70.1	-25.7	0	0	0	113.1	F280 T281 G289 R293	F280-D291 HydrophobicContact CD1-CB 4.14Å; F280-D291 WeakPolarHBondContact CD1-O 3.2Å; T281-D291 PolarHBondContact N-O 3.38Å; G289-D291 PolarHBondContact O-N 2.77Å; D291-R293 VanDerWaalsContact C-NH1 3.35Å; D291-R293 PolarHBondContact O-N 3.19Å
292	Y	89.6	Confident	81.4	Confident	4 Å²	4	58.5 Å²	58.5	2%	0.016	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-68.1	124.7	178.4	-179.6	-106.5	0	0	0	110.4	T281 T282 C284 F285 G289 G294 V296 C333 R334 P342 I359	T281-Y292 CarbonylContact O-C 3.39Å; T281-Y292 WeakPolarHBondContact O-CA 3.18Å; T281-Y292 VanDerWaalsContact O-CD2 3.26Å; T281-Y292 WeakPolarHBondContact O-CD2 3.5Å; T282-Y292 VanDerWaalsContact O-CE2 3.25Å; T282-Y292 WeakPolarHBondContact O-CE2 3.44Å; T282-Y292 PolarHBondContact O-OH 3.28Å; C284-Y292 WeakPolarHBondContact O-CD2 3.25Å; F285-Y292 HydrophobicContact CB-CD2 4.04Å; F285-Y292 HydrophobicContact CB-CG 4.27Å; G289-Y292 WeakPolarHBondContact O-CB 3.49Å; G289-Y292 PolarHBondContact O-N 2.78Å; Y292-G294 WeakPolarHBondContact OH-CA 3.36Å; Y292-V296 VanDerWaalsContact OH-CG2 3.32Å; Y292-V296 WeakPolarHBondContact OH-CG2 3.44Å; Y292-C333 WeakPolarHBondContact CD1-O 3.32Å; Y292-R334 WeakPolarHBondContact O-CD 3.32Å; Y292-P342 HydrophobicContact CD1-CB 4.23Å; Y292-P342 HydrophobicContact CD1-CG 4.23Å; Y292-P342 HydrophobicContact CG-CG 4.18Å; Y292-I359 HydrophobicContact CD1-CD1 4.05Å; Y292-I359 HydrophobicContact CD2-CG2 4.01Å; Y292-I359 HydrophobicContact CE1-CD1 3.47Å; Y292-I359 VanDerWaalsContact CE1-CD1 3.47Å; Y292-I359 HydrophobicContact CE1-CG1 4.35Å; Y292-I359 HydrophobicContact CE2-CD1 4.41Å; Y292-I359 HydrophobicContact CE2-CG2 3.5Å; Y292-I359 VanDerWaalsContact CE2-CG2 3.5Å
293	R	91.9	Very high	81.3	Confident	44 Å²	44	56.6 Å²	56.6	17%	0.166	32%	0.315	C	S	.	.			trans	-127.1	23.3	179.7	-61.9	-65.2	176.7	-80.8	-2.4	112.3	F280 T281 E290 D291 C325	F280-R293 HydrophobicContact CB-CB 4.3Å; F280-R293 HydrophobicContact CB-CG 3.94Å; F280-R293 HydrophobicContact CD1-CG 3.77Å; F280-R293 HydrophobicContact CD2-CG 4.39Å; F280-R293 HydrophobicContact CE1-CG 4.39Å; F280-R293 HydrophobicContact CG-CG 3.78Å; T281-R293 PolarHBondContact O-N 2.98Å; E290-R293 PolarHBondContact O-NH1 3.22Å; E290-R293 PolarHBondContact O-NH2 3.08Å; D291-R293 VanDerWaalsContact C-NH1 3.35Å; D291-R293 PolarHBondContact O-N 3.19Å; R293-C325 PolarHBondContact NH2-O 2.86Å
294	G	90.9	Very high	81.8	Confident	2 Å²	2	51.9 Å²	51.9	2%	0.021	30%	0.296	C	S	.	.			trans	-73.4	175.9	174.9	0	0	0	0	0	113.6	T281 T282 Y292 R334	T281-G294 PolarHBondContact O-N 2.98Å; T282-G294 VanDerWaalsContact O-CA 3.26Å; T282-G294 WeakPolarHBondContact O-CA 3.34Å; Y292-G294 WeakPolarHBondContact OH-CA 3.36Å; G294-R334 PolarHBondContact O-NH1 2.91Å; G294-R334 PolarHBondContact O-NH2 2.81Å
295	K	94.6	Very high	82.6	Confident	158 Å²	158	50.6 Å²	50.6	69%	0.687	29%	0.287	S	S	*	.			trans	-105.5	13.2	-171.6	-63.5	-171.9	178.2	-173.3	0	114.7	N297 Y332	K295-N297 PolarHBondContact O-N 3.18Å; K295-Y332 VanDerWaalsContact C-CD1 3.46Å; K295-Y332 VanDerWaalsContact CA-CD1 3.48Å; K295-Y332 HydrophobicContact CB-CD1 4.03Å; K295-Y332 HydrophobicContact CB-CE1 3.73Å; K295-Y332 HydrophobicContact CG-CE1 4.11Å; K295-Y332 HydrophobicContact CG-CE2 4.26Å; K295-Y332 VanDerWaalsContact O-CD1 3.23Å; K295-Y332 WeakPolarHBondContact O-CD1 3.32Å; K295-Y332 WeakPolarHBondContact O-CE1 3.16Å
296	V	92.2	Very high	83.5	Confident	44 Å²	44	50.5 Å²	50.5	27%	0.267	29%	0.287	S	S	.	.			trans	-63.2	125.3	176.3	176.7	0	0	0	0	108.7	Y292 Y332 C333 Q358 I359	Y292-V296 VanDerWaalsContact OH-CG2 3.32Å; Y292-V296 WeakPolarHBondContact OH-CG2 3.44Å; V296-Y332 CarbonylContact O-C 3.38Å; V296-Y332 WeakPolarHBondContact O-CA 3.11Å; V296-C333 PolarHBondContact O-N 3.45Å; V296-C333 PolarHBondContact O-SG 2.86Å; V296-C333 VanDerWaalsContact O-SG 3.36Å; V296-Q358 HydrophobicContact CG1-CG 4.16Å; V296-I359 HydrophobicContact CB-CD1 4.22Å; V296-I359 HydrophobicContact CB-CG1 4.13Å; V296-I359 HydrophobicContact CG1-CD1 4.35Å; V296-I359 HydrophobicContact CG1-CG1 4.13Å; V296-I359 HydrophobicContact CG2-CG1 4.05Å
297	N	93.6	Very high	84.5	Confident	60 Å²	60	52 Å²	52	32%	0.321	29%	0.292	S	S	.	.			trans	-136.2	15.7	-173.1	64.5	-15.2	0	0	0	113.7	K295 C305 N331 Y332	K295-N297 PolarHBondContact O-N 3.18Å; N297-C305 VanDerWaalsContact C-SG 3.5Å; N297-C305 VanDerWaalsContact O-CB 3.29Å; N297-C305 WeakPolarHBondContact O-CB 3.41Å; N297-C305 PolarHBondContact O-N 2.85Å; N297-C305 PolarHBondContact O-SG 3.33Å; N297-C305 VanDerWaalsContact O-SG 3.4Å; N297-N331 WeakPolarHBondContact CB-O 3.26Å; N297-N331 VanDerWaalsContact CB-OD1 3.29Å; N297-N331 WeakPolarHBondContact CB-OD1 3.38Å; N297-N331 PolarHBondContact ND2-OD1 3.48Å; N297-Y332 HydrophobicContact CB-CD1 4Å
298	E	86.8	Confident	85.6	Confident	108 Å²	108	50.3 Å²	50.3	51%	0.505	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-136.2	158	174.5	61	-177.6	-178.4	0	0	108.7	I303 Q358	E298-I303 CarbonylContact C-O 3.57Å; E298-I303 WeakPolarHBondContact CA-O 3.45Å; E298-Q358 PolarHBondContact O-NE2 3.15Å
299	T	76.8	Confident	86.7	Confident	5 Å²	5	49.2 Å²	49.2	3%	0.031	28%	0.277	C	S	.	.			trans	-81.4	169.4	177.6	69.7	0	0	0	0	111.7	S301 G302 I303 V354	T299-S301 PolarHBondContact O-N 3.35Å; T299-S301 VanDerWaalsContact O-N 3.08Å; T299-S301 PolarHBondContact OG1-N 2.82Å; T299-S301 PolarHBondContact OG1-OG 3.1Å; T299-G302 PolarHBondContact O-N 2.67Å; T299-G302 PolarHBondContact OG1-N 2.71Å; T299-I303 HydrophobicContact CG2-CB 4.03Å; T299-I303 WeakPolarHBondContact CG2-O 3.13Å; T299-I303 PolarHBondContact N-O 3Å; T299-I303 WeakPolarHBondContact OG1-CB 3.48Å; T299-I303 PolarHBondContact OG1-N 2.95Å; T299-V354 HydrophobicContact CG2-CB 3.75Å; T299-V354 HydrophobicContact CG2-CG1 3.44Å; T299-V354 VanDerWaalsContact CG2-CG1 3.44Å; T299-V354 HydrophobicContact CG2-CG2 4.35Å
300	A	66.2	Low	87.4	Confident	79 Å²	79	51.8 Å²	51.8	65%	0.653	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-21.5	172.8	0	0	0	0	0	113.9	Q358	A300-Q358 HydrophobicContact CB-CB 4.19Å
301	S	61.4	Low	87.9	Confident	94 Å²	94	51.3 Å²	51.3	66%	0.657	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	6.2	174.9	52.6	0	0	0	0	113.8	T299	T299-S301 PolarHBondContact O-N 3.35Å; T299-S301 VanDerWaalsContact O-N 3.08Å; T299-S301 PolarHBondContact OG1-N 2.82Å; T299-S301 PolarHBondContact OG1-OG 3.1Å
302	G	77.8	Confident	88.2	Confident	50 Å²	50	55.3 Å²	55.3	52%	0.515	32%	0.316	S	S	.	.			trans	81	15.1	177.5	0	0	0	0	0	115.2	T299	T299-G302 PolarHBondContact O-N 2.67Å; T299-G302 PolarHBondContact OG1-N 2.71Å
303	I	82.3	Confident	88.3	Confident	40 Å²	40	57.5 Å²	57.5	21%	0.205	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-81.5	125.9	177.3	-57.7	173	0	0	0	108.8	E298 T299 T346 V348 M351	E298-I303 CarbonylContact C-O 3.57Å; E298-I303 WeakPolarHBondContact CA-O 3.45Å; T299-I303 HydrophobicContact CG2-CB 4.03Å; T299-I303 WeakPolarHBondContact CG2-O 3.13Å; T299-I303 PolarHBondContact N-O 3Å; T299-I303 WeakPolarHBondContact OG1-CB 3.48Å; T299-I303 PolarHBondContact OG1-N 2.95Å; I303-T346 HydrophobicContact CG2-CG2 4.42Å; I303-V348 HydrophobicContact CG2-CG2 3.79Å; I303-M351 HydrophobicContact CD1-SD 3.88Å
304	A	93.1	Very high	88.3	Confident	45 Å²	45	56 Å²	56	37%	0.372	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-69.1	144	179	0	0	0	0	0	112.1	S347	A304-S347 WeakPolarHBondContact O-CB 3.34Å; A304-S347 PolarHBondContact O-N 3.05Å; A304-S347 PolarHBondContact O-OG 3.03Å
305	C	95.8	Very high	88.4	Confident	5 Å²	5	65.4 Å²	65.4	3%	0.034	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-77.3	143	172.6	-65.8	0	0	0	0	110.8	N297 N331 C344 F345	N297-C305 VanDerWaalsContact C-SG 3.5Å; N297-C305 VanDerWaalsContact O-CB 3.29Å; N297-C305 WeakPolarHBondContact O-CB 3.41Å; N297-C305 PolarHBondContact O-N 2.85Å; N297-C305 PolarHBondContact O-SG 3.33Å; N297-C305 VanDerWaalsContact O-SG 3.4Å; C305-N331 HydrophobicContact CB-CB 4Å; C305-N331 WeakPolarHBondContact CB-O 3.37Å; C305-N331 VanDerWaalsContact O-CB 3.29Å; C305-N331 WeakPolarHBondContact O-CB 3.35Å; C305-N331 PolarHBondContact O-ND2 3.27Å; C305-C344 HydrophobicContact CB-CB 3.55Å; C305-C344 WeakPolarHBondContact CB-SG 3.24Å; C305-C344 WeakPolarHBondContact SG-CB 3.43Å; C305-C344 CovalentContact SG-SG 2.03Å; C305-C344 PolarHBondContact SG-SG 2.85Å; C305-F345 CarbonylContact C-O 3.54Å; C305-F345 VanDerWaalsContact CA-O 3.32Å; C305-F345 WeakPolarHBondContact CA-O 3.08Å
306	Q	95.9	Very high	88.1	Confident	8 Å²	8	58.4 Å²	58.4	4%	0.037	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-70.3	144.3	165.1	176.4	-174.7	-39.1	0	0	109.3	V310 H314 N331 F345	Q306-V310 HydrophobicContact CG-CG2 3.54Å; Q306-V310 PolarHBondContact NE2-O 3.02Å; Q306-H314 PolarHBondContact NE2-O 2.82Å; Q306-H314 PolarHBondContact OE1-CD2 2.82Å; Q306-N331 WeakPolarHBondContact O-CB 3.33Å; Q306-F345 HydrophobicContact CB-CB 3.89Å; Q306-F345 HydrophobicContact CG-CB 4.48Å; Q306-F345 PolarHBondContact N-O 3.12Å
307	R	96.2	Very high	87.8	Confident	96 Å²	96	60.2 Å²	60.2	36%	0.362	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-68	145.5	174.5	-67.6	171.6	53.8	135.6	-5.4	111.7	D309 V310 E330 N331	R307-D309 VanDerWaalsContact C-N 3.28Å; R307-D309 VanDerWaalsContact CB-OD1 3.22Å; R307-D309 WeakPolarHBondContact CB-OD1 3.45Å; R307-D309 IonicContact CZ-OD1 3.52Å; R307-D309 IonicContact CZ-OD2 3.59Å; R307-D309 IonicContact NE-OD1 3.36Å; R307-D309 PolarHBondContact NE-OD1 3.02Å; R307-D309 IonicContact NE-OD2 3.86Å; R307-D309 IonicContact NH2-OD1 2.69Å; R307-D309 PolarHBondContact NH2-OD1 3.14Å; R307-D309 IonicContact NH2-OD2 3.02Å; R307-D309 PolarHBondContact NH2-OD2 2.75Å; R307-D309 PolarHBondContact O-N 3.45Å; R307-V310 HydrophobicContact CB-CG1 4.21Å; R307-V310 HydrophobicContact CB-CG2 3.96Å; R307-V310 VanDerWaalsContact O-CG2 3.28Å; R307-V310 WeakPolarHBondContact O-CG2 3.42Å; R307-V310 PolarHBondContact O-N 3.24Å; R307-E330 CarbonylContact C-O 3.57Å; R307-E330 VanDerWaalsContact CA-O 3.23Å; R307-E330 WeakPolarHBondContact CA-O 3.5Å; R307-E330 IonicContact CZ-OE2 3.24Å; R307-E330 VanDerWaalsContact CZ-OE2 3.24Å; R307-E330 IonicContact NE-OE2 3.8Å; R307-E330 IonicContact NH1-OE2 2.85Å; R307-E330 PolarHBondContact NH1-OE2 3.44Å; R307-E330 IonicContact NH2-OE2 3.71Å; R307-N331 HydrophobicContact CB-CB 4.3Å; R307-N331 HydrophobicContact CG-CB 3.81Å
308	W	94.6	Very high	87.5	Confident	1 Å²	1	58.4 Å²	58.4	0%	0.004	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-21.4	-179.1	-62.9	102.5	0	0	0	113.6	H316 F318 P320 L328 E330 Y332 R334 P336 W343 C344 F345	W308-H316 PolarHBondContact O-CE1 3.38Å; W308-F318 HydrophobicContact CE3-CB 4.01Å; W308-F318 HydrophobicContact CZ3-CB 4.1Å; W308-F318 HydrophobicContact CZ3-CD2 4.38Å; W308-F318 HydrophobicContact CZ3-CG 4.42Å; W308-P320 HydrophobicContact CB-CG 4.06Å; W308-L328 HydrophobicContact CB-CB 3.86Å; W308-L328 HydrophobicContact CD2-CB 4.34Å; W308-L328 HydrophobicContact CD2-CD2 3.94Å; W308-L328 HydrophobicContact CE3-CD1 4.34Å; W308-L328 HydrophobicContact CE3-CD2 4.17Å; W308-L328 HydrophobicContact CG-CB 3.85Å; W308-L328 HydrophobicContact CG-CD2 4.29Å; W308-L328 HydrophobicContact CZ2-CD2 4.42Å; W308-L328 HydrophobicContact CZ3-CD2 4.5Å; W308-E330 VanDerWaalsContact CD1-O 3.26Å; W308-E330 PolarHBondContact N-O 3.25Å; W308-Y332 PolarHBondContact NE1-O 3.49Å; W308-R334 HydrophobicContact CZ2-CB 3.81Å; W308-R334 HydrophobicContact CZ2-CG 4.43Å; W308-P336 HydrophobicContact CH2-CG 4.18Å; W308-P336 HydrophobicContact CZ3-CG 4.1Å; W308-W343 HydrophobicContact CH2-CE3 4.24Å; W308-W343 HydrophobicContact CH2-CH2 4.1Å; W308-W343 HydrophobicContact CH2-CZ2 4.41Å; W308-W343 HydrophobicContact CH2-CZ3 4Å; W308-W343 HydrophobicContact CZ3-CH2 4.11Å; W308-W343 HydrophobicContact CZ3-CZ3 4.27Å; W308-C344 HydrophobicContact CZ2-CB 4.29Å; W308-F345 HydrophobicContact CE3-CD2 4.16Å; W308-F345 HydrophobicContact CE3-CE2 4.26Å; W308-F345 HydrophobicContact CH2-CD2 4.41Å; W308-F345 AromaticContact CZ3-CD2 3.77Å; W308-F345 HydrophobicContact CZ3-CD2 3.77Å; W308-F345 AromaticContact CZ3-CE2 3.69Å; W308-F345 HydrophobicContact CZ3-CE2 3.69Å
309	D	93.8	Very high	87.5	Confident	87 Å²	87	56.7 Å²	56.7	47%	0.465	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-2.8	177.6	65.9	-21.5	0	0	0	113.7	R307 P320	R307-D309 VanDerWaalsContact C-N 3.28Å; R307-D309 VanDerWaalsContact CB-OD1 3.22Å; R307-D309 WeakPolarHBondContact CB-OD1 3.45Å; R307-D309 IonicContact CZ-OD1 3.52Å; R307-D309 IonicContact CZ-OD2 3.59Å; R307-D309 IonicContact NE-OD1 3.36Å; R307-D309 PolarHBondContact NE-OD1 3.02Å; R307-D309 IonicContact NE-OD2 3.86Å; R307-D309 IonicContact NH2-OD1 2.69Å; R307-D309 PolarHBondContact NH2-OD1 3.14Å; R307-D309 IonicContact NH2-OD2 3.02Å; R307-D309 PolarHBondContact NH2-OD2 2.75Å; R307-D309 PolarHBondContact O-N 3.45Å; D309-P320 HydrophobicContact CB-CG 4.23Å
310	V	94.4	Very high	88	Confident	54 Å²	54	57.8 Å²	57.8	33%	0.327	33%	0.333	S	S	.	.			trans	-108.3	150.1	177.3	-52.6	0	0	0	0	111.5	Q306 R307 H316	Q306-V310 HydrophobicContact CG-CG2 3.54Å; Q306-V310 PolarHBondContact NE2-O 3.02Å; R307-V310 HydrophobicContact CB-CG1 4.21Å; R307-V310 HydrophobicContact CB-CG2 3.96Å; R307-V310 VanDerWaalsContact O-CG2 3.28Å; R307-V310 WeakPolarHBondContact O-CG2 3.42Å; R307-V310 PolarHBondContact O-N 3.24Å; V310-H316 PolarHBondContact O-NE2 3.4Å
311	Q	93.9	Very high	88.6	Confident	65 Å²	65	61 Å²	61	30%	0.304	34%	0.339	S	S	.	.			trans	-110.9	17.8	-175.3	-68.8	-67.6	-46.1	0	0	112.7	H314 R315 H316	Q311-H314 CarbonylContact C-O 3.42Å; Q311-H314 CarbonylContact O-C 3.44Å; Q311-R315 HydrophobicContact CB-CG 4.24Å; Q311-R315 VanDerWaalsContact O-CG 3.29Å; Q311-R315 WeakPolarHBondContact O-CG 3.44Å; Q311-R315 PolarHBondContact O-N 2.88Å; Q311-R315 VanDerWaalsContact OE1-CA 3.26Å; Q311-H316 PolarHBondContact NE2-O 3.05Å; Q311-H316 PolarHBondContact OE1-O 2.91Å
312	V	90.2	Very high	89.4	Confident	112 Å²	112	60.1 Å²	60.1	68%	0.679	33%	0.326	S	S	*	.	S	Bend	trans	-139.9	136.2	-176.4	-179.2	0	0	0	0	108.5
313	P	91.5	Very high	89.5	Confident	51 Å²	51	58.2 Å²	58.2	33%	0.331	30%	0.304	S	S	.	.	S	Bend	cis	-70	-22.6	0.2	28	-35.4	0	0	0	114.6	P349	P313-P349 HydrophobicContact CB-CB 4.38Å; P313-P349 HydrophobicContact CB-CG 4.1Å
314	H	92.8	Very high	89.2	Confident	13 Å²	13	63.9 Å²	63.9	6%	0.06	33%	0.329	C	S	.	.	S	Bend	trans	-106.5	121.7	-175.6	-55.8	-62.6	0	0	0	111.9	Q306 Q311 H316 F345 T346 V348 P349 M351 R352	Q306-H314 PolarHBondContact NE2-O 2.82Å; Q306-H314 PolarHBondContact OE1-CD2 2.82Å; Q311-H314 CarbonylContact C-O 3.42Å; Q311-H314 CarbonylContact O-C 3.44Å; H314-H316 PolarHBondContact O-CD2 3.15Å; H314-F345 HydrophobicContact CB-CD1 3.9Å; H314-F345 HydrophobicContact CB-CG 4.46Å; H314-T346 PolarHBondContact CD2-O 2.57Å; H314-T346 PolarHBondContact NE2-O 3.47Å; H314-V348 PolarHBondContact NE2-O 3.15Å; H314-P349 PolarHBondContact CE1-O 3.35Å; H314-M351 PolarHBondContact NE2-O 3.34Å; H314-R352 HydrophobicContact CB-CG 4.38Å
315	R	92.9	Very high	88.4	Confident	198 Å²	198	63.8 Å²	63.8	75%	0.747	33%	0.325	S	S	*	.			trans	-73.9	135.4	166.9	-70.5	-167.8	177.3	-158.9	0.5	110.9	Q311 R352	Q311-R315 HydrophobicContact CB-CG 4.24Å; Q311-R315 VanDerWaalsContact O-CG 3.29Å; Q311-R315 WeakPolarHBondContact O-CG 3.44Å; Q311-R315 PolarHBondContact O-N 2.88Å; Q311-R315 VanDerWaalsContact OE1-CA 3.26Å; R315-R352 PolarHBondContact O-NH2 3.08Å
316	H	88.8	Confident	87.8	Confident	11 Å²	11	64.1 Å²	64.1	5%	0.051	33%	0.326	C	S	.	.			trans	-153.8	156.8	-176.8	64.2	76.1	0	0	0	113.9	W308 V310 Q311 H314 F318 F345	W308-H316 PolarHBondContact O-CE1 3.38Å; V310-H316 PolarHBondContact O-NE2 3.4Å; Q311-H316 PolarHBondContact NE2-O 3.05Å; Q311-H316 PolarHBondContact OE1-O 2.91Å; H314-H316 PolarHBondContact O-CD2 3.15Å; H316-F318 PolarHBondContact CE1-O 3.21Å; H316-F318 VanDerWaalsContact CE1-O 3.24Å; H316-F318 PolarHBondContact ND1-N 2.93Å; H316-F318 PolarHBondContact ND1-O 2.79Å; H316-F345 HydrophobicContact CB-CD2 4.18Å; H316-F345 HydrophobicContact CB-CE1 3.79Å; H316-F345 HydrophobicContact CB-CE2 3.38Å; H316-F345 HydrophobicContact CB-CZ 3.17Å; H316-F345 AromaticContact CD2-CD2 3.3Å; H316-F345 WeakPolarHBondContact CD2-CD2 3.06Å; H316-F345 AromaticContact CD2-CE2 3.37Å; H316-F345 WeakPolarHBondContact CD2-CE2 3.27Å; H316-F345 AromaticContact CD2-CG 3.83Å; H316-F345 AromaticContact CD2-CZ 3.97Å; H316-F345 AromaticContact CG-CD2 3.72Å; H316-F345 AromaticContact CG-CE2 3.24Å; H316-F345 AromaticContact CG-CZ 3.64Å; H316-F345 AromaticContact ND1-CE2 3.75Å; H316-F345 AromaticContact NE2-CD2 3.66Å; H316-F345 AromaticContact NE2-CE2 3.92Å
317	P	85	Confident	87.4	Confident	83 Å²	83	64.1 Å²	64.1	54%	0.539	33%	0.328	S	S	.	.	S	Bend	trans	-80.5	-14.4	-176	32.2	-36.3	0	0	0	114.6	I319 Y323	P317-I319 PolarHBondContact O-N 2.99Å; P317-Y323 WeakPolarHBondContact O-CE2 3.23Å
318	F	87.4	Confident	87.1	Confident	22 Å²	22	59.9 Å²	59.9	10%	0.096	31%	0.313	C	S	.	.			trans	-76.6	80.3	-174.5	-59	-69.3	0	0	0	113.1	W308 H316 Y323 L328 P336 D337 W343 F345	W308-F318 HydrophobicContact CE3-CB 4.01Å; W308-F318 HydrophobicContact CZ3-CB 4.1Å; W308-F318 HydrophobicContact CZ3-CD2 4.38Å; W308-F318 HydrophobicContact CZ3-CG 4.42Å; H316-F318 PolarHBondContact CE1-O 3.21Å; H316-F318 VanDerWaalsContact CE1-O 3.24Å; H316-F318 PolarHBondContact ND1-N 2.93Å; H316-F318 PolarHBondContact ND1-O 2.79Å; F318-Y323 HydrophobicContact CD1-CD1 4.43Å; F318-Y323 HydrophobicContact CD1-CD2 4.49Å; F318-Y323 HydrophobicContact CD1-CE1 4.1Å; F318-Y323 HydrophobicContact CD1-CE2 4.18Å; F318-Y323 AromaticContact CD1-CZ 3.98Å; F318-Y323 HydrophobicContact CE1-CE1 4.34Å; F318-L328 HydrophobicContact CB-CD1 3.83Å; F318-P336 HydrophobicContact CB-CG 4.44Å; F318-P336 HydrophobicContact CD1-CB 3.53Å; F318-P336 HydrophobicContact CD1-CG 3.56Å; F318-P336 HydrophobicContact CD2-CG 4.3Å; F318-P336 HydrophobicContact CE1-CB 3.8Å; F318-P336 HydrophobicContact CE1-CG 3.8Å; F318-P336 HydrophobicContact CE2-CG 4.5Å; F318-P336 HydrophobicContact CG-CB 4.25Å; F318-P336 HydrophobicContact CG-CG 3.83Å; F318-P336 HydrophobicContact CZ-CG 4.27Å; F318-D337 HydrophobicContact CE1-CB 4.13Å; F318-D337 HydrophobicContact CZ-CB 3.78Å; F318-W343 AromaticContact CD2-CH2 4Å; F318-W343 HydrophobicContact CD2-CH2 4Å; F318-W343 HydrophobicContact CD2-CZ2 4.35Å; F318-W343 AromaticContact CE2-CH2 3.75Å; F318-W343 HydrophobicContact CE2-CH2 3.75Å; F318-W343 AromaticContact CE2-CZ2 3.86Å; F318-W343 HydrophobicContact CE2-CZ2 3.86Å; F318-W343 HydrophobicContact CZ-CZ2 4.31Å; F318-F345 AromaticContact CD2-CE2 3.89Å; F318-F345 HydrophobicContact CD2-CE2 3.89Å; F318-F345 HydrophobicContact CD2-CZ 4.06Å; F318-F345 HydrophobicContact CE2-CZ 4.39Å
319	I	86.4	Confident	86.9	Confident	71 Å²	71	65.5 Å²	65.5	36%	0.364	34%	0.339	S	S	.	.			trans	-92.3	127.5	179.8	-61.9	167.2	0	0	0	109.7	P317 N321 I322 Y323	P317-I319 PolarHBondContact O-N 2.99Å; I319-N321 VanDerWaalsContact C-N 3.31Å; I319-N321 PolarHBondContact O-N 3.46Å; I319-N321 VanDerWaalsContact O-N 3.16Å; I319-I322 HydrophobicContact CB-CB 4.42Å; I319-I322 HydrophobicContact CB-CD1 4.07Å; I319-I322 HydrophobicContact CB-CG1 4.17Å; I319-I322 HydrophobicContact CD1-CD1 3.93Å; I319-I322 HydrophobicContact CG2-CG1 4.35Å; I319-I322 PolarHBondContact O-N 3.49Å; I319-Y323 WeakPolarHBondContact O-CD2 3.28Å; I319-Y323 PolarHBondContact O-N 3.49Å; I319-Y323 VanDerWaalsContact O-N 3.07Å
320	P	86.8	Confident	87	Confident	29 Å²	29	65.5 Å²	65.5	19%	0.188	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-41.1	-173.4	-29.8	36	0	0	0	114.9	W308 D309 I322 Y323 E324 L328	W308-P320 HydrophobicContact CB-CG 4.06Å; D309-P320 HydrophobicContact CB-CG 4.23Å; P320-I322 VanDerWaalsContact C-N 3.27Å; P320-I322 PolarHBondContact O-N 3.25Å; P320-Y323 CarbonylContact O-C 3.5Å; P320-Y323 VanDerWaalsContact O-C 3.24Å; P320-Y323 PolarHBondContact O-N 2.03Å; P320-E324 VanDerWaalsContact O-CA 3.26Å; P320-E324 WeakPolarHBondContact O-CA 3.39Å; P320-E324 PolarHBondContact O-N 2.85Å; P320-L328 HydrophobicContact CB-CB 4.2Å; P320-L328 HydrophobicContact CG-CB 4.05Å; P320-L328 VanDerWaalsContact CG-O 3.28Å; P320-L328 WeakPolarHBondContact CG-O 3.48Å
321	N	79.6	Confident	87	Confident	147 Å²	147	64.3 Å²	64.3	79%	0.786	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-24.4	180	-63.5	-9.1	0	0	0	113.7	I319	I319-N321 VanDerWaalsContact C-N 3.31Å; I319-N321 PolarHBondContact O-N 3.46Å; I319-N321 VanDerWaalsContact O-N 3.16Å
322	I	78.6	Confident	87.1	Confident	75 Å²	75	63.2 Å²	63.2	39%	0.385	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-33.2	177.6	-60.2	-178.5	0	0	0	110.2	P246 I319 P320	P246-I322 HydrophobicContact CB-CG2 3.64Å; P246-I322 HydrophobicContact CG-CG2 3.73Å; I319-I322 HydrophobicContact CB-CB 4.42Å; I319-I322 HydrophobicContact CB-CD1 4.07Å; I319-I322 HydrophobicContact CB-CG1 4.17Å; I319-I322 HydrophobicContact CD1-CD1 3.93Å; I319-I322 HydrophobicContact CG2-CG1 4.35Å; I319-I322 PolarHBondContact O-N 3.49Å; P320-I322 VanDerWaalsContact C-N 3.27Å; P320-I322 PolarHBondContact O-N 3.25Å
323	Y	78.7	Confident	87.3	Confident	10 Å²	10	57.9 Å²	57.9	4%	0.039	29%	0.289	C	S	.	.	S	Bend	trans	-110.2	43.1	-178	-66.6	-92.4	0	0	0	111.1	N194 A244 P317 F318 I319 P320 C325 K326 L328	N194-Y323 WeakPolarHBondContact ND2-CD1 3.46Å; N194-Y323 WeakPolarHBondContact ND2-CE1 3.32Å; A244-Y323 WeakPolarHBondContact O-CE1 3.44Å; A244-Y323 PolarHBondContact O-OH 3.16Å; P317-Y323 WeakPolarHBondContact O-CE2 3.23Å; F318-Y323 HydrophobicContact CD1-CD1 4.43Å; F318-Y323 HydrophobicContact CD1-CD2 4.49Å; F318-Y323 HydrophobicContact CD1-CE1 4.1Å; F318-Y323 HydrophobicContact CD1-CE2 4.18Å; F318-Y323 AromaticContact CD1-CZ 3.98Å; F318-Y323 HydrophobicContact CE1-CE1 4.34Å; I319-Y323 WeakPolarHBondContact O-CD2 3.28Å; I319-Y323 PolarHBondContact O-N 3.49Å; I319-Y323 VanDerWaalsContact O-N 3.07Å; P320-Y323 CarbonylContact O-C 3.5Å; P320-Y323 VanDerWaalsContact O-C 3.24Å; P320-Y323 PolarHBondContact O-N 2.03Å; Y323-C325 PolarHBondContact O-N 2.89Å; Y323-C325 VanDerWaalsContact O-N 3.13Å; Y323-K326 HydrophobicContact CD1-CG 4.12Å; Y323-K326 WeakPolarHBondContact O-CB 3.36Å; Y323-K326 PolarHBondContact O-N 2.52Å; Y323-L328 HydrophobicContact CG-CD1 4.34Å
324	E	77.3	Confident	87.5	Confident	158 Å²	158	55.5 Å²	55.5	74%	0.738	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-53.4	-41.5	-169	-171.6	175.8	-174.2	0	0	112.2	P320 K326 G327	P320-E324 VanDerWaalsContact O-CA 3.26Å; P320-E324 WeakPolarHBondContact O-CA 3.39Å; P320-E324 PolarHBondContact O-N 2.85Å; E324-K326 VanDerWaalsContact C-N 3.28Å; E324-K326 PolarHBondContact O-N 3.47Å; E324-G327 PolarHBondContact O-N 3.04Å
325	C	76.3	Confident	87.3	Confident	43 Å²	43	55 Å²	55	29%	0.291	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-73.1	-15.8	-179.6	83	0	0	0	0	114.4	C193 R293 Y323 G327	C193-C325 WeakPolarHBondContact CA-SG 3.49Å; C193-C325 HydrophobicContact CB-CB 4.01Å; C193-C325 WeakPolarHBondContact CB-SG 3.48Å; C193-C325 WeakPolarHBondContact SG-CB 3.23Å; C193-C325 CovalentContact SG-SG 2.01Å; C193-C325 PolarHBondContact SG-SG 3.27Å; R293-C325 PolarHBondContact NH2-O 2.86Å; Y323-C325 PolarHBondContact O-N 2.89Å; Y323-C325 VanDerWaalsContact O-N 3.13Å; C325-G327 PolarHBondContact O-N 2.93Å
326	K	83.3	Confident	86.9	Confident	12 Å²	12	45.6 Å²	45.6	5%	0.052	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-79.6	-7.2	178.6	-58.7	-63.5	-170	175.3	0	112	E196 E290 Y323 E324 L328 P336	E196-K326 WeakPolarHBondContact OE1-CE 3.22Å; E196-K326 IonicContact OE1-NZ 3.2Å; E196-K326 PolarHBondContact OE1-NZ 2.85Å; E290-K326 IonicContact OE2-NZ 2.69Å; Y323-K326 HydrophobicContact CD1-CG 4.12Å; Y323-K326 WeakPolarHBondContact O-CB 3.36Å; Y323-K326 PolarHBondContact O-N 2.52Å; E324-K326 VanDerWaalsContact C-N 3.28Å; E324-K326 PolarHBondContact O-N 3.47Å; K326-L328 HydrophobicContact CB-CD2 4.17Å; K326-L328 HydrophobicContact CB-CG 4.05Å; K326-L328 PolarHBondContact O-N 3.24Å; K326-P336 HydrophobicContact CB-CB 4.33Å; K326-P336 WeakPolarHBondContact CE-O 3.48Å; K326-P336 HydrophobicContact CG-CB 4.22Å
327	G	85.9	Confident	86.3	Confident	8 Å²	8	47.7 Å²	47.7	8%	0.082	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	41.1	174.2	0	0	0	0	0	112.9	E324 C325 E329 R334	E324-G327 PolarHBondContact O-N 3.04Å; C325-G327 PolarHBondContact O-N 2.93Å; G327-E329 PolarHBondContact O-N 2.89Å; G327-R334 PolarHBondContact O-NE 3.46Å
328	L	91.4	Very high	85.6	Confident	7 Å²	7	44.2 Å²	44.2	4%	0.037	23%	0.226	C	C	.	.			trans	-72.3	57.4	-178.7	-59.4	-174.5	0	0	0	112.3	W308 F318 P320 Y323 K326 R334 P336	W308-L328 HydrophobicContact CB-CB 3.86Å; W308-L328 HydrophobicContact CD2-CB 4.34Å; W308-L328 HydrophobicContact CD2-CD2 3.94Å; W308-L328 HydrophobicContact CE3-CD1 4.34Å; W308-L328 HydrophobicContact CE3-CD2 4.17Å; W308-L328 HydrophobicContact CG-CB 3.85Å; W308-L328 HydrophobicContact CG-CD2 4.29Å; W308-L328 HydrophobicContact CZ2-CD2 4.42Å; W308-L328 HydrophobicContact CZ3-CD2 4.5Å; F318-L328 HydrophobicContact CB-CD1 3.83Å; P320-L328 HydrophobicContact CB-CB 4.2Å; P320-L328 HydrophobicContact CG-CB 4.05Å; P320-L328 VanDerWaalsContact CG-O 3.28Å; P320-L328 WeakPolarHBondContact CG-O 3.48Å; Y323-L328 HydrophobicContact CG-CD1 4.34Å; K326-L328 HydrophobicContact CB-CD2 4.17Å; K326-L328 HydrophobicContact CB-CG 4.05Å; K326-L328 PolarHBondContact O-N 3.24Å; L328-R334 HydrophobicContact CD2-CB 3.64Å; L328-R334 HydrophobicContact CD2-CG 3.86Å; L328-P336 HydrophobicContact CD1-CB 4.44Å; L328-P336 HydrophobicContact CD2-CB 4.08Å; L328-P336 HydrophobicContact CD2-CG 4.14Å
329	E	90.4	Very high	84.7	Confident	119 Å²	119	45 Å²	45	56%	0.556	24%	0.235	S	C	*	.			trans	-84.7	139.5	-179.4	-65.5	170.5	-162.1	0	0	110.9	G327 N331 Y332	G327-E329 PolarHBondContact O-N 2.89Å; E329-N331 PolarHBondContact O-N 2.83Å; E329-Y332 HydrophobicContact CB-CD2 4.11Å; E329-Y332 HydrophobicContact CB-CE2 4.35Å; E329-Y332 VanDerWaalsContact O-CD2 3.25Å; E329-Y332 WeakPolarHBondContact O-CD2 3.44Å; E329-Y332 PolarHBondContact O-N 2.73Å
330	E	94.4	Very high	83.6	Confident	88 Å²	88	47.3 Å²	47.3	41%	0.411	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	-130.4	176.2	-62.3	-64.4	164.2	0	0	111.9	R307 W308 Y332	R307-E330 CarbonylContact C-O 3.57Å; R307-E330 VanDerWaalsContact CA-O 3.23Å; R307-E330 WeakPolarHBondContact CA-O 3.5Å; R307-E330 IonicContact CZ-OE2 3.24Å; R307-E330 VanDerWaalsContact CZ-OE2 3.24Å; R307-E330 IonicContact NE-OE2 3.8Å; R307-E330 IonicContact NH1-OE2 2.85Å; R307-E330 PolarHBondContact NH1-OE2 3.44Å; R307-E330 IonicContact NH2-OE2 3.71Å; W308-E330 VanDerWaalsContact CD1-O 3.26Å; W308-E330 PolarHBondContact N-O 3.25Å; E330-Y332 HydrophobicContact CB-CD2 4.17Å; E330-Y332 HydrophobicContact CB-CE1 4.47Å; E330-Y332 HydrophobicContact CB-CE2 3.93Å; E330-Y332 HydrophobicContact CG-CE2 4.09Å
331	N	95.3	Very high	83.1	Confident	28 Å²	28	46.3 Å²	46.3	15%	0.15	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	26.7	174.8	66.6	-23.3	0	0	0	112.5	N297 C305 Q306 R307 E329	N297-N331 WeakPolarHBondContact CB-O 3.26Å; N297-N331 VanDerWaalsContact CB-OD1 3.29Å; N297-N331 WeakPolarHBondContact CB-OD1 3.38Å; N297-N331 PolarHBondContact ND2-OD1 3.48Å; C305-N331 HydrophobicContact CB-CB 4Å; C305-N331 WeakPolarHBondContact CB-O 3.37Å; C305-N331 VanDerWaalsContact O-CB 3.29Å; C305-N331 WeakPolarHBondContact O-CB 3.35Å; C305-N331 PolarHBondContact O-ND2 3.27Å; Q306-N331 WeakPolarHBondContact O-CB 3.33Å; R307-N331 HydrophobicContact CB-CB 4.3Å; R307-N331 HydrophobicContact CG-CB 3.81Å; E329-N331 PolarHBondContact O-N 2.83Å
332	Y	96.8	Very high	83.6	Confident	42 Å²	42	39.3 Å²	39.3	17%	0.165	20%	0.2	C	C	.	.			trans	-71	144.9	-178	-56.4	-45.4	0	0	0	111.8	K295 V296 N297 W308 E329 E330 R334	K295-Y332 VanDerWaalsContact C-CD1 3.46Å; K295-Y332 VanDerWaalsContact CA-CD1 3.48Å; K295-Y332 HydrophobicContact CB-CD1 4.03Å; K295-Y332 HydrophobicContact CB-CE1 3.73Å; K295-Y332 HydrophobicContact CG-CE1 4.11Å; K295-Y332 HydrophobicContact CG-CE2 4.26Å; K295-Y332 VanDerWaalsContact O-CD1 3.23Å; K295-Y332 WeakPolarHBondContact O-CD1 3.32Å; K295-Y332 WeakPolarHBondContact O-CE1 3.16Å; V296-Y332 CarbonylContact O-C 3.38Å; V296-Y332 WeakPolarHBondContact O-CA 3.11Å; N297-Y332 HydrophobicContact CB-CD1 4Å; W308-Y332 PolarHBondContact NE1-O 3.49Å; E329-Y332 HydrophobicContact CB-CD2 4.11Å; E329-Y332 HydrophobicContact CB-CE2 4.35Å; E329-Y332 VanDerWaalsContact O-CD2 3.25Å; E329-Y332 WeakPolarHBondContact O-CD2 3.44Å; E329-Y332 PolarHBondContact O-N 2.73Å; E330-Y332 HydrophobicContact CB-CD2 4.17Å; E330-Y332 HydrophobicContact CB-CE1 4.47Å; E330-Y332 HydrophobicContact CB-CE2 3.93Å; E330-Y332 HydrophobicContact CG-CE2 4.09Å; Y332-R334 VanDerWaalsContact CB-NH1 3.28Å; Y332-R334 PolarHBondContact O-N 2.97Å
333	C	94.4	Very high	84.2	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.184	C	C	.	.			trans	-58.7	128.2	173.4	-61.3	0	0	0	0	110.5	Y292 V296 P342 W343 C356 I359	Y292-C333 WeakPolarHBondContact CD1-O 3.32Å; V296-C333 PolarHBondContact O-N 3.45Å; V296-C333 PolarHBondContact O-SG 2.86Å; V296-C333 VanDerWaalsContact O-SG 3.36Å; C333-P342 HydrophobicContact CB-CB 4.29Å; C333-W343 WeakPolarHBondContact CA-O 3.42Å; C333-C356 HydrophobicContact CB-CB 3.57Å; C333-C356 WeakPolarHBondContact CB-SG 3.22Å; C333-C356 WeakPolarHBondContact SG-CB 3.48Å; C333-C356 CovalentContact SG-SG 2.02Å; C333-C356 PolarHBondContact SG-SG 3.4Å; C333-I359 HydrophobicContact CB-CD1 3.82Å
334	R	94.3	Very high	85	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.008	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-140.8	168.6	-178.6	-68	-65	179.8	-92.2	-1	109.9	Y292 G294 W308 G327 L328 Y332 W343	Y292-R334 WeakPolarHBondContact O-CD 3.32Å; G294-R334 PolarHBondContact O-NH1 2.91Å; G294-R334 PolarHBondContact O-NH2 2.81Å; W308-R334 HydrophobicContact CZ2-CB 3.81Å; W308-R334 HydrophobicContact CZ2-CG 4.43Å; G327-R334 PolarHBondContact O-NE 3.46Å; L328-R334 HydrophobicContact CD2-CB 3.64Å; L328-R334 HydrophobicContact CD2-CG 3.86Å; Y332-R334 VanDerWaalsContact CB-NH1 3.28Å; Y332-R334 PolarHBondContact O-N 2.97Å; R334-W343 PolarHBondContact N-O 3.3Å; R334-W343 CarbonylContact O-C 3.57Å; R334-W343 PolarHBondContact O-N 3.18Å
335	N	88.3	Confident	85.8	Confident	2 Å²	2	28.7 Å²	28.7	1%	0.011	15%	0.149	C	C	.	.			trans	-129	73.5	175.2	-167.5	2.5	0	0	0	110.8	R288 E290 D337 G338 S339	R288-N335 PolarHBondContact O-ND2 2Å; E290-N335 HydrophobicContact CG-CB 4.29Å; N335-D337 VanDerWaalsContact C-N 3.33Å; N335-D337 PolarHBondContact OD1-OD1 2.61Å; N335-G338 WeakPolarHBondContact OD1-CA 3.2Å; N335-G338 PolarHBondContact OD1-N 3.36Å; N335-S339 PolarHBondContact ND2-O 3.2Å; N335-S339 WeakPolarHBondContact OD1-CB 3.48Å; N335-S339 PolarHBondContact OD1-N 3.45Å
336	P	85.4	Confident	86.6	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-72.7	-23.7	-176.3	26.9	-32.5	0	0	0	114.1	W308 F318 K326 L328 W343	W308-P336 HydrophobicContact CH2-CG 4.18Å; W308-P336 HydrophobicContact CZ3-CG 4.1Å; F318-P336 HydrophobicContact CB-CG 4.44Å; F318-P336 HydrophobicContact CD1-CB 3.53Å; F318-P336 HydrophobicContact CD1-CG 3.56Å; F318-P336 HydrophobicContact CD2-CG 4.3Å; F318-P336 HydrophobicContact CE1-CB 3.8Å; F318-P336 HydrophobicContact CE1-CG 3.8Å; F318-P336 HydrophobicContact CE2-CG 4.5Å; F318-P336 HydrophobicContact CG-CB 4.25Å; F318-P336 HydrophobicContact CG-CG 3.83Å; F318-P336 HydrophobicContact CZ-CG 4.27Å; K326-P336 HydrophobicContact CB-CB 4.33Å; K326-P336 WeakPolarHBondContact CE-O 3.48Å; K326-P336 HydrophobicContact CG-CB 4.22Å; L328-P336 HydrophobicContact CD1-CB 4.44Å; L328-P336 HydrophobicContact CD2-CB 4.08Å; L328-P336 HydrophobicContact CD2-CG 4.14Å; P336-W343 HydrophobicContact CG-CZ2 4.05Å
337	D	75.9	Confident	87	Confident	56 Å²	56	28.9 Å²	28.9	30%	0.299	15%	0.152	S	C	.	.	S	Bend	trans	-102.6	0.4	-173.7	65.6	-14.4	0	0	0	114	F318 N335 S339 W343	F318-D337 HydrophobicContact CE1-CB 4.13Å; F318-D337 HydrophobicContact CZ-CB 3.78Å; N335-D337 VanDerWaalsContact C-N 3.33Å; N335-D337 PolarHBondContact OD1-OD1 2.61Å; D337-S339 VanDerWaalsContact C-N 3.28Å; D337-S339 PolarHBondContact O-N 3.41Å; D337-S339 WeakPolarHBondContact OD1-CB 3.27Å; D337-S339 PolarHBondContact OD1-N 2.88Å; D337-S339 VanDerWaalsContact OD1-N 3.08Å; D337-S339 PolarHBondContact OD1-OG 2.79Å; D337-S339 PolarHBondContact OD2-OG 2.94Å; D337-W343 PolarHBondContact OD1-NE1 2.91Å
338	G	70.3	Confident	87	Confident	9 Å²	9	30.8 Å²	30.8	9%	0.093	16%	0.162	C	C	.	.			trans	68.9	27.7	-177.1	0	0	0	0	0	113.2	R288 N335	R288-G338 WeakPolarHBondContact CD-O 3.45Å; R288-G338 PolarHBondContact NH1-O 2.92Å; N335-G338 WeakPolarHBondContact OD1-CA 3.2Å; N335-G338 PolarHBondContact OD1-N 3.36Å
339	S	68.2	Low	86.8	Confident	40 Å²	40	34.7 Å²	34.7	28%	0.28	19%	0.188	S	C	.	.			trans	-53.8	171.7	166.8	-84.8	0	0	0	0	112	R288 N335 D337 A341	R288-S339 WeakPolarHBondContact CB-O 3.02Å; N335-S339 PolarHBondContact ND2-O 3.2Å; N335-S339 WeakPolarHBondContact OD1-CB 3.48Å; N335-S339 PolarHBondContact OD1-N 3.45Å; D337-S339 VanDerWaalsContact C-N 3.28Å; D337-S339 PolarHBondContact O-N 3.41Å; D337-S339 WeakPolarHBondContact OD1-CB 3.27Å; D337-S339 PolarHBondContact OD1-N 2.88Å; D337-S339 VanDerWaalsContact OD1-N 3.08Å; D337-S339 PolarHBondContact OD1-OG 2.79Å; D337-S339 PolarHBondContact OD2-OG 2.94Å; S339-A341 PolarHBondContact O-N 3.5Å; S339-A341 VanDerWaalsContact O-N 3.16Å
340	E	64.1	Low	86.6	Confident	119 Å²	119	36.8 Å²	36.8	56%	0.556	20%	0.198	S	C	*	.	S	Bend	trans	-69.7	-17	-169.4	-58.6	-164.4	136	0	0	115.1	K385	E340-K385 IonicContact OE1-NZ 2.73Å; E340-K385 PolarHBondContact OE1-NZ 2.92Å
341	A	77.1	Confident	85.7	Confident	7 Å²	7	36.5 Å²	36.5	6%	0.058	20%	0.198	C	C	.	.	S	Bend	trans	-158	167.3	177.3	0	0	0	0	0	110.3	F285 R288 S339 W343 L357	F285-A341 HydrophobicContact CE1-CB 4.46Å; F285-A341 HydrophobicContact CE2-CB 4.46Å; F285-A341 HydrophobicContact CZ-CB 3.92Å; R288-A341 CarbonylContact O-C 3.49Å; R288-A341 WeakPolarHBondContact O-CA 3.5Å; S339-A341 PolarHBondContact O-N 3.5Å; S339-A341 VanDerWaalsContact O-N 3.16Å; A341-W343 PolarHBondContact O-N 2.95Å; A341-L357 HydrophobicContact CB-CD2 4.48Å
342	P	88.7	Confident	85.1	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.214	C	C	.	.			trans	-54.3	138.1	168.1	-23.9	34.2	0	0	0	112.1	F285 Y292 C333 C356 I359	F285-P342 HydrophobicContact CB-CG 4.02Å; F285-P342 HydrophobicContact CD1-CG 4.03Å; F285-P342 HydrophobicContact CD2-CG 4.41Å; F285-P342 HydrophobicContact CG-CG 3.92Å; Y292-P342 HydrophobicContact CD1-CB 4.23Å; Y292-P342 HydrophobicContact CD1-CG 4.23Å; Y292-P342 HydrophobicContact CG-CG 4.18Å; C333-P342 HydrophobicContact CB-CB 4.29Å; P342-C356 WeakPolarHBondContact O-CB 3.44Å; P342-C356 PolarHBondContact O-N 3.47Å; P342-I359 HydrophobicContact CB-CD1 3.87Å; P342-I359 HydrophobicContact CG-CD1 4.29Å
343	W	92.1	Very high	84.4	Confident	13 Å²	13	42.8 Å²	42.8	5%	0.049	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	173.9	-175.6	66.7	-91.4	0	0	0	111.1	W308 F318 C333 R334 P336 D337 A341 F345 T353 V354 L355	W308-W343 HydrophobicContact CH2-CE3 4.24Å; W308-W343 HydrophobicContact CH2-CH2 4.1Å; W308-W343 HydrophobicContact CH2-CZ2 4.41Å; W308-W343 HydrophobicContact CH2-CZ3 4Å; W308-W343 HydrophobicContact CZ3-CH2 4.11Å; W308-W343 HydrophobicContact CZ3-CZ3 4.27Å; F318-W343 AromaticContact CD2-CH2 4Å; F318-W343 HydrophobicContact CD2-CH2 4Å; F318-W343 HydrophobicContact CD2-CZ2 4.35Å; F318-W343 AromaticContact CE2-CH2 3.75Å; F318-W343 HydrophobicContact CE2-CH2 3.75Å; F318-W343 AromaticContact CE2-CZ2 3.86Å; F318-W343 HydrophobicContact CE2-CZ2 3.86Å; F318-W343 HydrophobicContact CZ-CZ2 4.31Å; C333-W343 WeakPolarHBondContact CA-O 3.42Å; R334-W343 PolarHBondContact N-O 3.3Å; R334-W343 CarbonylContact O-C 3.57Å; R334-W343 PolarHBondContact O-N 3.18Å; P336-W343 HydrophobicContact CG-CZ2 4.05Å; D337-W343 PolarHBondContact OD1-NE1 2.91Å; A341-W343 PolarHBondContact O-N 2.95Å; W343-F345 HydrophobicContact CH2-CD2 4.32Å; W343-F345 HydrophobicContact CH2-CE1 4.34Å; W343-F345 AromaticContact CH2-CE2 3.6Å; W343-F345 HydrophobicContact CH2-CE2 3.6Å; W343-F345 AromaticContact CH2-CZ 3.58Å; W343-F345 HydrophobicContact CH2-CZ 3.58Å; W343-F345 HydrophobicContact CZ3-CD1 4.32Å; W343-F345 AromaticContact CZ3-CD2 3.89Å; W343-F345 HydrophobicContact CZ3-CD2 3.89Å; W343-F345 HydrophobicContact CZ3-CE1 4.06Å; W343-F345 AromaticContact CZ3-CE2 3.62Å; W343-F345 HydrophobicContact CZ3-CE2 3.62Å; W343-F345 HydrophobicContact CZ3-CG 4.22Å; W343-F345 AromaticContact CZ3-CZ 3.68Å; W343-F345 HydrophobicContact CZ3-CZ 3.68Å; W343-T353 HydrophobicContact CE3-CG2 3.87Å; W343-T353 HydrophobicContact CH2-CG2 4.33Å; W343-T353 HydrophobicContact CZ3-CG2 3.47Å; W343-T353 VanDerWaalsContact CZ3-CG2 3.47Å; W343-V354 VanDerWaalsContact CA-O 3.29Å; W343-V354 WeakPolarHBondContact CA-O 3.37Å; W343-V354 VanDerWaalsContact CB-O 3.28Å; W343-V354 WeakPolarHBondContact CB-O 3.29Å; W343-L355 HydrophobicContact CB-CD2 3.77Å; W343-L355 HydrophobicContact CG-CD2 4.49Å
344	C	94.9	Very high	83.9	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	160	171.9	68.4	0	0	0	0	111.7	C305 W308 T353 V354	C305-C344 HydrophobicContact CB-CB 3.55Å; C305-C344 WeakPolarHBondContact CB-SG 3.24Å; C305-C344 WeakPolarHBondContact SG-CB 3.43Å; C305-C344 CovalentContact SG-SG 2.03Å; C305-C344 PolarHBondContact SG-SG 2.85Å; W308-C344 HydrophobicContact CZ2-CB 4.29Å; C344-T353 WeakPolarHBondContact O-CA 3.35Å; C344-V354 PolarHBondContact N-O 3.4Å; C344-V354 PolarHBondContact O-N 3.02Å
345	F	95.3	Very high	83.2	Confident	8 Å²	8	47.5 Å²	47.5	4%	0.035	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	142.9	160.4	-67.9	-77.2	0	0	0	108.8	C305 Q306 W308 H314 H316 F318 W343 R352 T353	C305-F345 CarbonylContact C-O 3.54Å; C305-F345 VanDerWaalsContact CA-O 3.32Å; C305-F345 WeakPolarHBondContact CA-O 3.08Å; Q306-F345 HydrophobicContact CB-CB 3.89Å; Q306-F345 HydrophobicContact CG-CB 4.48Å; Q306-F345 PolarHBondContact N-O 3.12Å; W308-F345 HydrophobicContact CE3-CD2 4.16Å; W308-F345 HydrophobicContact CE3-CE2 4.26Å; W308-F345 HydrophobicContact CH2-CD2 4.41Å; W308-F345 AromaticContact CZ3-CD2 3.77Å; W308-F345 HydrophobicContact CZ3-CD2 3.77Å; W308-F345 AromaticContact CZ3-CE2 3.69Å; W308-F345 HydrophobicContact CZ3-CE2 3.69Å; H314-F345 HydrophobicContact CB-CD1 3.9Å; H314-F345 HydrophobicContact CB-CG 4.46Å; H316-F345 HydrophobicContact CB-CD2 4.18Å; H316-F345 HydrophobicContact CB-CE1 3.79Å; H316-F345 HydrophobicContact CB-CE2 3.38Å; H316-F345 HydrophobicContact CB-CZ 3.17Å; H316-F345 AromaticContact CD2-CD2 3.3Å; H316-F345 WeakPolarHBondContact CD2-CD2 3.06Å; H316-F345 AromaticContact CD2-CE2 3.37Å; H316-F345 WeakPolarHBondContact CD2-CE2 3.27Å; H316-F345 AromaticContact CD2-CG 3.83Å; H316-F345 AromaticContact CD2-CZ 3.97Å; H316-F345 AromaticContact CG-CD2 3.72Å; H316-F345 AromaticContact CG-CE2 3.24Å; H316-F345 AromaticContact CG-CZ 3.64Å; H316-F345 AromaticContact ND1-CE2 3.75Å; H316-F345 AromaticContact NE2-CD2 3.66Å; H316-F345 AromaticContact NE2-CE2 3.92Å; F318-F345 AromaticContact CD2-CE2 3.89Å; F318-F345 HydrophobicContact CD2-CE2 3.89Å; F318-F345 HydrophobicContact CD2-CZ 4.06Å; F318-F345 HydrophobicContact CE2-CZ 4.39Å; W343-F345 HydrophobicContact CH2-CD2 4.32Å; W343-F345 HydrophobicContact CH2-CE1 4.34Å; W343-F345 AromaticContact CH2-CE2 3.6Å; W343-F345 HydrophobicContact CH2-CE2 3.6Å; W343-F345 AromaticContact CH2-CZ 3.58Å; W343-F345 HydrophobicContact CH2-CZ 3.58Å; W343-F345 HydrophobicContact CZ3-CD1 4.32Å; W343-F345 AromaticContact CZ3-CD2 3.89Å; W343-F345 HydrophobicContact CZ3-CD2 3.89Å; W343-F345 HydrophobicContact CZ3-CE1 4.06Å; W343-F345 AromaticContact CZ3-CE2 3.62Å; W343-F345 HydrophobicContact CZ3-CE2 3.62Å; W343-F345 HydrophobicContact CZ3-CG 4.22Å; W343-F345 AromaticContact CZ3-CZ 3.68Å; W343-F345 HydrophobicContact CZ3-CZ 3.68Å; F345-R352 VanDerWaalsContact CA-O 3.29Å; F345-R352 WeakPolarHBondContact CA-O 3.27Å; F345-R352 HydrophobicContact CD1-CG 4.27Å; F345-R352 WeakPolarHBondContact CD1-O 3.24Å; F345-R352 HydrophobicContact CE1-CG 4.34Å; F345-T353 HydrophobicContact CD1-CG2 3.58Å; F345-T353 HydrophobicContact CE1-CG2 3.5Å; F345-T353 HydrophobicContact CG-CG2 4.4Å; F345-T353 HydrophobicContact CZ-CG2 4.29Å
346	T	92	Very high	82.9	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-91.2	155.3	-179.9	92.8	0	0	0	0	111.4	I303 H314 V348 M351 R352 V354	I303-T346 HydrophobicContact CG2-CG2 4.42Å; H314-T346 PolarHBondContact CD2-O 2.57Å; H314-T346 PolarHBondContact NE2-O 3.47Å; T346-V348 PolarHBondContact O-N 3.16Å; T346-V348 PolarHBondContact OG1-N 3.39Å; T346-V348 PolarHBondContact OG1-O 3.49Å; T346-V348 VanDerWaalsContact OG1-O 3.06Å; T346-M351 WeakPolarHBondContact CB-O 3.4Å; T346-M351 HydrophobicContact CG2-CB 4.27Å; T346-M351 HydrophobicContact CG2-CG 3.97Å; T346-M351 VanDerWaalsContact CG2-O 3.27Å; T346-M351 WeakPolarHBondContact CG2-O 3.36Å; T346-M351 HydrophobicContact CG2-SD 4.41Å; T346-M351 PolarHBondContact OG1-O 3.11Å; T346-R352 PolarHBondContact N-O 2.85Å; T346-V354 HydrophobicContact CG2-CB 4.08Å; T346-V354 HydrophobicContact CG2-CG2 3.6Å
347	S	91.1	Very high	82.4	Confident	58 Å²	58	53.2 Å²	53.2	41%	0.406	28%	0.283	S	S	.	.	S	Bend	trans	-71.2	-3.2	172	67.3	0	0	0	0	113.4	A304	A304-S347 WeakPolarHBondContact O-CB 3.34Å; A304-S347 PolarHBondContact O-N 3.05Å; A304-S347 PolarHBondContact O-OG 3.03Å
348	V	86.5	Confident	82.4	Confident	49 Å²	49	53.6 Å²	53.6	30%	0.297	28%	0.283	S	S	.	.	S	Bend	trans	-103.8	125	-173.9	179.2	0	0	0	0	109.5	I303 H314 T346 E350 M351	I303-V348 HydrophobicContact CG2-CG2 3.79Å; H314-V348 PolarHBondContact NE2-O 3.15Å; T346-V348 PolarHBondContact O-N 3.16Å; T346-V348 PolarHBondContact OG1-N 3.39Å; T346-V348 PolarHBondContact OG1-O 3.49Å; T346-V348 VanDerWaalsContact OG1-O 3.06Å; V348-E350 VanDerWaalsContact C-N 3.28Å; V348-E350 HydrophobicContact CG1-CB 4.41Å; V348-E350 WeakPolarHBondContact CG1-OE2 3.42Å; V348-E350 PolarHBondContact O-N 3.23Å; V348-M351 PolarHBondContact O-N 2.9Å; V348-M351 VanDerWaalsContact O-O 3.13Å
349	P	87.4	Confident	82.7	Confident	89 Å²	89	53.6 Å²	53.6	58%	0.578	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-30.3	-177	-24.7	34.2	0	0	0	114.9	P313 H314 M351	P313-P349 HydrophobicContact CB-CB 4.38Å; P313-P349 HydrophobicContact CB-CG 4.1Å; H314-P349 PolarHBondContact CE1-O 3.35Å; P349-M351 VanDerWaalsContact C-N 3.26Å; P349-M351 PolarHBondContact O-N 3.42Å
350	E	85.3	Confident	83.1	Confident	162 Å²	162	59.4 Å²	59.4	76%	0.757	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-14.4	-177.5	-61.3	76.9	-168.9	0	0	113	V348	V348-E350 VanDerWaalsContact C-N 3.28Å; V348-E350 HydrophobicContact CG1-CB 4.41Å; V348-E350 WeakPolarHBondContact CG1-OE2 3.42Å; V348-E350 PolarHBondContact O-N 3.23Å
351	M	77.3	Confident	83.3	Confident	83 Å²	83	59.5 Å²	59.5	41%	0.409	30%	0.296	S	S	.	.			trans	-130.8	100.5	-174.4	-168.8	171.9	-75.5	0	0	110.4	I303 H314 T346 V348 P349 V354	I303-M351 HydrophobicContact CD1-SD 3.88Å; H314-M351 PolarHBondContact NE2-O 3.34Å; T346-M351 WeakPolarHBondContact CB-O 3.4Å; T346-M351 HydrophobicContact CG2-CB 4.27Å; T346-M351 HydrophobicContact CG2-CG 3.97Å; T346-M351 VanDerWaalsContact CG2-O 3.27Å; T346-M351 WeakPolarHBondContact CG2-O 3.36Å; T346-M351 HydrophobicContact CG2-SD 4.41Å; T346-M351 PolarHBondContact OG1-O 3.11Å; V348-M351 PolarHBondContact O-N 2.9Å; V348-M351 VanDerWaalsContact O-O 3.13Å; P349-M351 VanDerWaalsContact C-N 3.26Å; P349-M351 PolarHBondContact O-N 3.42Å; M351-V354 HydrophobicContact CG-CG2 3.7Å; M351-V354 HydrophobicContact SD-CG2 3.26Å; M351-V354 WeakPolarHBondContact SD-CG2 3.11Å
352	R	80.8	Confident	82.9	Confident	132 Å²	132	59.3 Å²	59.3	50%	0.498	29%	0.294	S	S	.	.			trans	-64.7	-50.7	-172.5	-166.7	179.7	173.4	83.4	1.3	113.5	H314 R315 F345 T346	H314-R352 HydrophobicContact CB-CG 4.38Å; R315-R352 PolarHBondContact O-NH2 3.08Å; F345-R352 VanDerWaalsContact CA-O 3.29Å; F345-R352 WeakPolarHBondContact CA-O 3.27Å; F345-R352 HydrophobicContact CD1-CG 4.27Å; F345-R352 WeakPolarHBondContact CD1-O 3.24Å; F345-R352 HydrophobicContact CE1-CG 4.34Å; T346-R352 PolarHBondContact N-O 2.85Å
353	T	83.4	Confident	81.4	Confident	70 Å²	70	63.3 Å²	63.3	43%	0.429	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	147	-174.2	54.2	0	0	0	0	111.2	W343 C344 F345	W343-T353 HydrophobicContact CE3-CG2 3.87Å; W343-T353 HydrophobicContact CH2-CG2 4.33Å; W343-T353 HydrophobicContact CZ3-CG2 3.47Å; W343-T353 VanDerWaalsContact CZ3-CG2 3.47Å; C344-T353 WeakPolarHBondContact O-CA 3.35Å; F345-T353 HydrophobicContact CD1-CG2 3.58Å; F345-T353 HydrophobicContact CE1-CG2 3.5Å; F345-T353 HydrophobicContact CG-CG2 4.4Å; F345-T353 HydrophobicContact CZ-CG2 4.29Å
354	V	82.7	Confident	79.5	Confident	33 Å²	33	66.8 Å²	66.8	20%	0.2	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	142.2	174.9	172.6	0	0	0	0	111	T299 W343 C344 T346 M351	T299-V354 HydrophobicContact CG2-CB 3.75Å; T299-V354 HydrophobicContact CG2-CG1 3.44Å; T299-V354 VanDerWaalsContact CG2-CG1 3.44Å; T299-V354 HydrophobicContact CG2-CG2 4.35Å; W343-V354 VanDerWaalsContact CA-O 3.29Å; W343-V354 WeakPolarHBondContact CA-O 3.37Å; W343-V354 VanDerWaalsContact CB-O 3.28Å; W343-V354 WeakPolarHBondContact CB-O 3.29Å; C344-V354 PolarHBondContact N-O 3.4Å; C344-V354 PolarHBondContact O-N 3.02Å; T346-V354 HydrophobicContact CG2-CB 4.08Å; T346-V354 HydrophobicContact CG2-CG2 3.6Å; M351-V354 HydrophobicContact CG-CG2 3.7Å; M351-V354 HydrophobicContact SD-CG2 3.26Å; M351-V354 WeakPolarHBondContact SD-CG2 3.11Å
355	L	81.2	Confident	77.2	Confident	67 Å²	67	69.8 Å²	69.8	35%	0.351	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	133.8	170.9	-60.7	-178	0	0	0	111	W343 L357	W343-L355 HydrophobicContact CB-CD2 3.77Å; W343-L355 HydrophobicContact CG-CD2 4.49Å; L355-L357 HydrophobicContact CB-CD2 3.82Å; L355-L357 HydrophobicContact CB-CG 3.84Å; L355-L357 HydrophobicContact CD1-CD2 4.04Å; L355-L357 PolarHBondContact O-N 3.26Å
356	C	80.6	Confident	75.1	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	38%	0.381	C	S	.	.			trans	-85.4	61.9	177.1	-60	0	0	0	0	111.3	C333 P342 Q358 I359	C333-C356 HydrophobicContact CB-CB 3.57Å; C333-C356 WeakPolarHBondContact CB-SG 3.22Å; C333-C356 WeakPolarHBondContact SG-CB 3.48Å; C333-C356 CovalentContact SG-SG 2.02Å; C333-C356 PolarHBondContact SG-SG 3.4Å; P342-C356 WeakPolarHBondContact O-CB 3.44Å; P342-C356 PolarHBondContact O-N 3.47Å; C356-Q358 PolarHBondContact O-N 2.85Å; C356-I359 HydrophobicContact CB-CD1 3.62Å; C356-I359 HydrophobicContact CB-CG1 4.24Å; C356-I359 WeakPolarHBondContact O-CG1 3.31Å; C356-I359 PolarHBondContact O-N 3.01Å
357	L	76	Confident	72.5	Confident	123 Å²	123	81.2 Å²	81.2	64%	0.644	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-12	-173.9	-61.4	178.9	0	0	0	114.6	A341 L355 I359	A341-L357 HydrophobicContact CB-CD2 4.48Å; L355-L357 HydrophobicContact CB-CD2 3.82Å; L355-L357 HydrophobicContact CB-CG 3.84Å; L355-L357 HydrophobicContact CD1-CD2 4.04Å; L355-L357 PolarHBondContact O-N 3.26Å; L357-I359 PolarHBondContact O-N 2.72Å
358	Q	74.9	Confident	69.7	Low	63 Å²	63	83.3 Å²	83.3	29%	0.294	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-18.4	172.5	68.9	-77.4	1	0	0	113.2	V296 E298 A300 C356 K360	V296-Q358 HydrophobicContact CG1-CG 4.16Å; E298-Q358 PolarHBondContact O-NE2 3.15Å; A300-Q358 HydrophobicContact CB-CB 4.19Å; C356-Q358 PolarHBondContact O-N 2.85Å; Q358-K360 PolarHBondContact O-N 3.33Å
359	I	77.3	Confident	67.7	Low	9 Å²	9	89.3 Å²	89.3	5%	0.046	46%	0.464	C	S	.	.	S	Bend	trans	-75.4	121.2	173.1	-53	162	0	0	0	107.5	F285 Y292 V296 C333 P342 C356 L357	F285-I359 HydrophobicContact CB-CG2 4.36Å; F285-I359 HydrophobicContact CD1-CB 4.07Å; F285-I359 HydrophobicContact CD1-CG2 3.75Å; F285-I359 VanDerWaalsContact CE1-O 3.28Å; F285-I359 WeakPolarHBondContact CE1-O 3.47Å; Y292-I359 HydrophobicContact CD1-CD1 4.05Å; Y292-I359 HydrophobicContact CD2-CG2 4.01Å; Y292-I359 HydrophobicContact CE1-CD1 3.47Å; Y292-I359 VanDerWaalsContact CE1-CD1 3.47Å; Y292-I359 HydrophobicContact CE1-CG1 4.35Å; Y292-I359 HydrophobicContact CE2-CD1 4.41Å; Y292-I359 HydrophobicContact CE2-CG2 3.5Å; Y292-I359 VanDerWaalsContact CE2-CG2 3.5Å; V296-I359 HydrophobicContact CB-CD1 4.22Å; V296-I359 HydrophobicContact CB-CG1 4.13Å; V296-I359 HydrophobicContact CG1-CD1 4.35Å; V296-I359 HydrophobicContact CG1-CG1 4.13Å; V296-I359 HydrophobicContact CG2-CG1 4.05Å; C333-I359 HydrophobicContact CB-CD1 3.82Å; P342-I359 HydrophobicContact CB-CD1 3.87Å; P342-I359 HydrophobicContact CG-CD1 4.29Å; C356-I359 HydrophobicContact CB-CD1 3.62Å; C356-I359 HydrophobicContact CB-CG1 4.24Å; C356-I359 WeakPolarHBondContact O-CG1 3.31Å; C356-I359 PolarHBondContact O-N 3.01Å; L357-I359 PolarHBondContact O-N 2.72Å
360	K	75.7	Confident	66.5	Low	162 Å²	162	87.7 Å²	87.7	70%	0.704	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	155.1	-178.3	-61.6	-178.7	-178.3	178	0	110.9	C284 F285 Q358	C284-K360 CarbonylContact C-O 3.46Å; C284-K360 VanDerWaalsContact C-O 3.3Å; C284-K360 WeakPolarHBondContact CA-O 3.42Å; C284-K360 WeakPolarHBondContact CB-O 3.39Å; F285-K360 PolarHBondContact N-O 3.42Å; Q358-K360 PolarHBondContact O-N 3.33Å
361	R	69.6	Low	65.7	Low	122 Å²	122	82.1 Å²	82.1	46%	0.46	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	144.2	166.8	-77.1	175.7	171.2	-87.8	-7.5	110.9	F285 G287 D365	F285-R361 HydrophobicContact CD1-CG 4.5Å; F285-R361 HydrophobicContact CD2-CG 4.27Å; F285-R361 HydrophobicContact CE1-CG 4.01Å; F285-R361 HydrophobicContact CE2-CG 3.77Å; F285-R361 HydrophobicContact CZ-CG 3.62Å; F285-R361 CarbonylContact O-C 3.51Å; F285-R361 VanDerWaalsContact O-CA 3.27Å; F285-R361 WeakPolarHBondContact O-CA 2.98Å; G287-R361 PolarHBondContact O-NH1 2.9Å; G287-R361 PolarHBondContact O-NH2 3.25Å; R361-D365 IonicContact NH1-OD2 3.51Å
362	C	68.2	Low	65.4	Low	3 Å²	3	79.4 Å²	79.4	2%	0.02	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-70	146.4	-179.6	-58.5	0	0	0	0	112	T281 C284 F285 R286 D364 D365 I366	T281-C362 VanDerWaalsContact CG2-SG 3.59Å; C284-C362 HydrophobicContact CB-CB 3.95Å; C284-C362 WeakPolarHBondContact CB-SG 3.18Å; C284-C362 WeakPolarHBondContact SG-CA 3.25Å; C284-C362 WeakPolarHBondContact SG-CB 3.49Å; C284-C362 CovalentContact SG-SG 2.04Å; C284-C362 PolarHBondContact SG-SG 3.43Å; F285-C362 PolarHBondContact O-N 3.29Å; R286-C362 HydrophobicContact CG-CB 3.96Å; C362-D364 VanDerWaalsContact C-N 3.27Å; C362-D364 WeakPolarHBondContact CB-OD1 3.25Å; C362-D364 PolarHBondContact O-N 2.9Å; C362-D365 HydrophobicContact CB-CB 4.39Å; C362-I366 WeakPolarHBondContact O-CD1 3.04Å; C362-I366 WeakPolarHBondContact O-CG1 3.35Å
363	A	57.2	Low	65.2	Low	83 Å²	83	78.8 Å²	78.8	69%	0.686	42%	0.42	S	S	*	.	S	Bend	trans	-70.1	-21.2	-174.9	0	0	0	0	0	113.9	I366	A363-I366 WeakPolarHBondContact O-CB 3.07Å
364	D	52.3	Low	64.8	Low	86 Å²	86	81.5 Å²	81.5	46%	0.46	43%	0.428	S	S	.	.	S	Bend	trans	-91.9	-28.3	-179.7	58	-19.1	0	0	0	113.1	R286 C362 I366 E367	R286-D364 IonicContact CZ-OD1 3.95Å; R286-D364 IonicContact CZ-OD2 3.5Å; R286-D364 VanDerWaalsContact CZ-OD2 3.3Å; R286-D364 IonicContact NE-OD1 3.47Å; R286-D364 PolarHBondContact NE-OD1 3.03Å; R286-D364 IonicContact NE-OD2 2.71Å; R286-D364 PolarHBondContact NE-OD2 3.42Å; R286-D364 VanDerWaalsContact NE-OD2 3.13Å; R286-D364 IonicContact NH2-OD1 3.35Å; R286-D364 IonicContact NH2-OD2 3.87Å; R286-D364 PolarHBondContact NH2-OD2 3.05Å; C362-D364 VanDerWaalsContact C-N 3.27Å; C362-D364 WeakPolarHBondContact CB-OD1 3.25Å; C362-D364 PolarHBondContact O-N 2.9Å; D364-I366 PolarHBondContact O-N 2.78Å; D364-I366 VanDerWaalsContact O-N 3.12Å; D364-E367 PolarHBondContact O-N 2.6Å
365	D	46.9	Very low	64.5	Low	64 Å²	64	80.9 Å²	80.9	34%	0.342	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-2.9	165.6	-166.5	59.9	0	0	0	112.9	R286 G287 R361 C362	R286-D365 VanDerWaalsContact CA-OD2 3.28Å; R286-D365 WeakPolarHBondContact CA-OD2 3.49Å; R286-D365 HydrophobicContact CB-CB 3.89Å; R286-D365 HydrophobicContact CG-CB 3.77Å; G287-D365 VanDerWaalsContact N-CG 3.29Å; G287-D365 PolarHBondContact N-OD1 3.2Å; G287-D365 PolarHBondContact N-OD2 3.12Å; R361-D365 IonicContact NH1-OD2 3.51Å; C362-D365 HydrophobicContact CB-CB 4.39Å
366	I	50.4	Low	64.5	Low	80 Å²	80	77.7 Å²	77.7	41%	0.41	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-0.3	173.3	-67.9	161.7	0	0	0	110.9	C362 A363 D364 K447	C362-I366 WeakPolarHBondContact O-CD1 3.04Å; C362-I366 WeakPolarHBondContact O-CG1 3.35Å; A363-I366 WeakPolarHBondContact O-CB 3.07Å; D364-I366 PolarHBondContact O-N 2.78Å; D364-I366 VanDerWaalsContact O-N 3.12Å; I366-K447 HydrophobicContact CG2-CD 4.29Å
367	E	37.5	Very low	64.7	Low	167 Å²	167	83.3 Å²	83.3	78%	0.78	43%	0.432	S	S	*	.			trans	-118.1	94.4	-178.1	-64.9	-152.9	163.1	0	0	115.4	D364	D364-E367 PolarHBondContact O-N 2.6Å
368	A	31.6	Very low	64.9	Low	103 Å²	103	83.4 Å²	83.4	85%	0.851	43%	0.433	S	S	*	.	S	Bend		-159.9	72.8	129.2	0	0	0	0	0	107.4
369	E	46.1	Very low	65.2	Low	174 Å²	174	81 Å²	81	81%	0.813	42%	0.421	S	S	*	.	S	Bend	trans	40.5	81	163.4	-65.9	176.8	170	0	0	118.4
370	D	61.2	Low	65.4	Low	56 Å²	56	85.2 Å²	85.2	30%	0.299	44%	0.437	S	S	.	.			trans	-126.2	65.7	144.1	-101.5	-11.3	0	0	0	106.8	Y379 G381 V382 V383 I446	D370-Y379 HydrophobicContact CB-CE2 4.42Å; D370-Y379 WeakPolarHBondContact CB-OH 3.23Å; D370-Y379 PolarHBondContact OD1-OH 3.3Å; D370-Y379 PolarHBondContact OD2-OH 3.48Å; D370-G381 WeakPolarHBondContact OD1-CA 3.05Å; D370-V382 PolarHBondContact OD2-N 3.06Å; D370-V382 VanDerWaalsContact OD2-N 3.12Å; D370-V383 HydrophobicContact CB-CG2 3.88Å; D370-V383 VanDerWaalsContact OD2-CG2 3.28Å; D370-V383 WeakPolarHBondContact OD2-CG2 3.37Å; D370-V383 PolarHBondContact OD2-N 3.27Å; D370-I446 WeakPolarHBondContact O-CG2 3.39Å
371	C	68.8	Low	65.5	Low	45 Å²	45	78 Å²	78	30%	0.304	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	157.6	164.9	68.7	0	0	0	0	109.4	K447 C449	C371-K447 CarbonylContact C-O 3.57Å; C371-K447 WeakPolarHBondContact CA-O 3.33Å; C371-K447 WeakPolarHBondContact CB-O 3.42Å; C371-C449 HydrophobicContact CB-CB 3.99Å; C371-C449 WeakPolarHBondContact CB-SG 3.23Å; C371-C449 WeakPolarHBondContact SG-CA 3.47Å; C371-C449 WeakPolarHBondContact SG-CB 3.29Å; C371-C449 CovalentContact SG-SG 2.04Å; C371-C449 PolarHBondContact SG-SG 3.46Å
372	Y	71.6	Confident	65.9	Low	26 Å²	26	76.4 Å²	76.4	10%	0.102	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	144	177.6	70.8	-94.8	0	0	0	111.8	E374 G376 H428 P430 I446 K447 Q448 C449	Y372-E374 VanDerWaalsContact CE2-O 3.31Å; Y372-E374 WeakPolarHBondContact CE2-O 3.19Å; Y372-G376 VanDerWaalsContact CD2-N 3.35Å; Y372-H428 PolarHBondContact OH-O 3.33Å; Y372-P430 HydrophobicContact CD1-CG 3.97Å; Y372-P430 HydrophobicContact CG-CG 4.04Å; Y372-I446 HydrophobicContact CD1-CB 3.92Å; Y372-I446 HydrophobicContact CD1-CG2 3.6Å; Y372-I446 HydrophobicContact CE1-CB 4.32Å; Y372-I446 HydrophobicContact CE1-CG2 4.43Å; Y372-I446 WeakPolarHBondContact CE1-O 3.46Å; Y372-K447 WeakPolarHBondContact CD1-O 3.46Å; Y372-K447 PolarHBondContact N-O 3.34Å; Y372-Q448 HydrophobicContact CD2-CG 4.32Å; Y372-Q448 HydrophobicContact CE2-CB 4.23Å; Y372-Q448 HydrophobicContact CE2-CG 4.04Å; Y372-Q448 CarbonylContact O-C 3.51Å; Y372-Q448 VanDerWaalsContact O-CA 3.25Å; Y372-Q448 WeakPolarHBondContact O-CA 3.4Å; Y372-Q448 WeakPolarHBondContact O-CG 3.48Å; Y372-C449 PolarHBondContact O-N 3.25Å
373	N	75.6	Confident	66.2	Low	118 Å²	118	77.9 Å²	77.9	63%	0.631	42%	0.421	S	S	*	.	S	Bend	trans	-90.9	151.4	173.4	-65.8	-45.1	0	0	0	110.4	N375 G376 C449	N373-N375 PolarHBondContact O-N 3.04Å; N373-G376 WeakPolarHBondContact O-CA 3.45Å; N373-G376 PolarHBondContact O-N 3.41Å; N373-C449 VanDerWaalsContact OD1-CB 3.28Å; N373-C449 WeakPolarHBondContact OD1-CB 3.36Å; N373-C449 PolarHBondContact OD1-SG 3.39Å; N373-C449 VanDerWaalsContact OD1-SG 3.39Å
374	E	75.9	Confident	67.4	Low	128 Å²	128	80.6 Å²	80.6	60%	0.598	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	-122.1	-178.1	-59.7	173.7	-175	0	0	111.1	Y372 Q448	Y372-E374 VanDerWaalsContact CE2-O 3.31Å; Y372-E374 WeakPolarHBondContact CE2-O 3.19Å; E374-Q448 PolarHBondContact O-NE2 2.94Å
375	N	75.1	Confident	68.1	Low	19 Å²	19	80.6 Å²	80.6	10%	0.102	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-1.2	174.1	67	0.4	0	0	0	113.2	N373 K377 N422 G425 D426 G429	N373-N375 PolarHBondContact O-N 3.04Å; N375-K377 VanDerWaalsContact OD1-CB 3.31Å; N375-K377 WeakPolarHBondContact OD1-CB 3.48Å; N375-K377 PolarHBondContact OD1-N 3.01Å; N375-N422 PolarHBondContact O-ND2 3.38Å; N375-G425 PolarHBondContact ND2-O 3.02Å; N375-D426 WeakPolarHBondContact CB-O 3.09Å; N375-G429 WeakPolarHBondContact O-CA 3.45Å
376	G	81.1	Confident	69	Low	1 Å²	1	77.6 Å²	77.6	1%	0.01	39%	0.393	C	S	.	.	S	Bend	trans	79.5	18.2	179.5	0	0	0	0	0	115	Y372 N373 N378 Y379 N422	Y372-G376 VanDerWaalsContact CD2-N 3.35Å; N373-G376 WeakPolarHBondContact O-CA 3.45Å; N373-G376 PolarHBondContact O-N 3.41Å; G376-N378 PolarHBondContact O-N 3.03Å; G376-Y379 WeakPolarHBondContact O-CB 3.21Å; G376-Y379 PolarHBondContact O-N 3.07Å; G376-N422 WeakPolarHBondContact O-CB 3.34Å
377	K	85.1	Confident	69.4	Low	117 Å²	117	76.4 Å²	76.4	51%	0.509	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-35.6	170.5	-169.6	174	-173.8	175.3	0	112.7	N375 Y379 R380	N375-K377 VanDerWaalsContact OD1-CB 3.31Å; N375-K377 WeakPolarHBondContact OD1-CB 3.48Å; N375-K377 PolarHBondContact OD1-N 3.01Å; K377-Y379 VanDerWaalsContact C-N 3.35Å; K377-R380 PolarHBondContact O-NH1 2.78Å
378	N	80	Confident	69.9	Low	126 Å²	126	72 Å²	72	67%	0.674	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	6.1	177.2	-63.7	-27.8	0	0	0	113.4	G376 R380	G376-N378 PolarHBondContact O-N 3.03Å; N378-R380 VanDerWaalsContact C-NH1 3.32Å; N378-R380 WeakPolarHBondContact O-CG 2.93Å; N378-R380 PolarHBondContact O-N 3.42Å
379	Y	81.8	Confident	70.8	Confident	12 Å²	12	68.5 Å²	68.5	5%	0.047	34%	0.335	C	S	.	.			trans	-65.7	127.6	177.8	-179.2	-102.3	0	0	0	110.4	D370 G376 K377 V383 C420 P430 I446	D370-Y379 HydrophobicContact CB-CE2 4.42Å; D370-Y379 WeakPolarHBondContact CB-OH 3.23Å; D370-Y379 PolarHBondContact OD1-OH 3.3Å; D370-Y379 PolarHBondContact OD2-OH 3.48Å; G376-Y379 WeakPolarHBondContact O-CB 3.21Å; G376-Y379 PolarHBondContact O-N 3.07Å; K377-Y379 VanDerWaalsContact C-N 3.35Å; Y379-V383 WeakPolarHBondContact OH-CG2 3.11Å; Y379-C420 WeakPolarHBondContact CD1-O 3.42Å; Y379-C420 HydrophobicContact CE1-CB 4.41Å; Y379-C420 WeakPolarHBondContact CE1-O 3.28Å; Y379-P430 HydrophobicContact CD1-CB 4.02Å; Y379-P430 HydrophobicContact CD1-CG 3.83Å; Y379-P430 HydrophobicContact CG-CG 3.84Å; Y379-I446 HydrophobicContact CD1-CD1 4.08Å; Y379-I446 HydrophobicContact CD2-CG2 4.35Å; Y379-I446 HydrophobicContact CE1-CD1 3.45Å; Y379-I446 VanDerWaalsContact CE1-CD1 3.45Å; Y379-I446 HydrophobicContact CE1-CG1 4.49Å; Y379-I446 HydrophobicContact CE2-CD1 4.33Å; Y379-I446 HydrophobicContact CE2-CG2 3.7Å
380	R	82.4	Confident	71.3	Confident	98 Å²	98	61.2 Å²	61.2	37%	0.37	30%	0.302	S	S	.	.			trans	-127.6	16.3	-178.6	-61.3	-61.9	178.7	-93	2.3	113	K377 N378	K377-R380 PolarHBondContact O-NH1 2.78Å; N378-R380 VanDerWaalsContact C-NH1 3.32Å; N378-R380 WeakPolarHBondContact O-CG 2.93Å; N378-R380 PolarHBondContact O-N 3.42Å
381	G	76.2	Confident	72.1	Confident	10 Å²	10	61.3 Å²	61.3	10%	0.103	31%	0.305	C	S	.	.			trans	-65.4	-178.5	179.7	0	0	0	0	0	114.9	D370 R421	D370-G381 WeakPolarHBondContact OD1-CA 3.05Å; G381-R421 PolarHBondContact O-NH1 3.48Å; G381-R421 PolarHBondContact O-NH2 2.74Å
382	V	79.6	Confident	72.9	Confident	89 Å²	89	59.2 Å²	59.2	54%	0.539	29%	0.291	S	S	.	.			trans	-112.3	4.2	-172.2	-62.9	0	0	0	0	113.9	D370 R384 Y419	D370-V382 PolarHBondContact OD2-N 3.06Å; D370-V382 VanDerWaalsContact OD2-N 3.12Å; V382-R384 PolarHBondContact O-N 3.48Å; V382-Y419 HydrophobicContact CB-CD1 4.18Å; V382-Y419 HydrophobicContact CB-CE1 3.95Å; V382-Y419 HydrophobicContact CG1-CE1 4.32Å; V382-Y419 HydrophobicContact CG1-CE2 4.48Å; V382-Y419 WeakPolarHBondContact O-CD1 3.35Å; V382-Y419 WeakPolarHBondContact O-CE1 3.36Å
383	V	74.8	Confident	73.8	Confident	33 Å²	33	58.3 Å²	58.3	20%	0.2	29%	0.287	C	S	.	.			trans	-51.2	130.6	168.9	179.3	0	0	0	0	110.6	D370 Y379 Y419 C420 C444 I446	D370-V383 HydrophobicContact CB-CG2 3.88Å; D370-V383 VanDerWaalsContact OD2-CG2 3.28Å; D370-V383 WeakPolarHBondContact OD2-CG2 3.37Å; D370-V383 PolarHBondContact OD2-N 3.27Å; Y379-V383 WeakPolarHBondContact OH-CG2 3.11Å; V383-Y419 CarbonylContact O-C 3.48Å; V383-Y419 WeakPolarHBondContact O-CA 3.29Å; V383-C420 WeakPolarHBondContact O-CB 3.42Å; V383-C420 PolarHBondContact O-N 3.43Å; V383-C420 PolarHBondContact O-SG 3.1Å; V383-C444 HydrophobicContact CG1-CB 4.19Å; V383-I446 HydrophobicContact CB-CD1 4.13Å; V383-I446 HydrophobicContact CB-CG1 3.93Å; V383-I446 HydrophobicContact CG1-CD1 4.31Å; V383-I446 HydrophobicContact CG1-CG1 3.9Å; V383-I446 HydrophobicContact CG2-CG1 3.91Å
384	R	80.6	Confident	74.6	Confident	141 Å²	141	56.9 Å²	56.9	53%	0.532	28%	0.275	S	S	.	.			trans	-135.4	18.3	-176.6	64.3	-177.1	178.7	-150.6	-1.3	113.3	V382 C392 Y419	V382-R384 PolarHBondContact O-N 3.48Å; R384-C392 WeakPolarHBondContact O-CB 3.49Å; R384-C392 PolarHBondContact O-N 3.18Å; R384-C392 PolarHBondContact O-SG 3.4Å; R384-Y419 HydrophobicContact CB-CD1 4.22Å
385	K	68.3	Low	75.4	Confident	85 Å²	85	50.8 Å²	50.8	37%	0.37	25%	0.247	S	C	.	.	B	Isolated β-bridge	trans	-125.2	140	174.9	-76.7	-168.3	170.6	-164.5	0	109.4	E340 I390	E340-K385 IonicContact OE1-NZ 2.73Å; E340-K385 PolarHBondContact OE1-NZ 2.92Å; K385-I390 CarbonylContact C-O 3.55Å; K385-I390 WeakPolarHBondContact CA-O 3.4Å
386	T	65.4	Low	76.2	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.012	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-68.9	165.1	170.8	86	0	0	0	0	109	K388 G389 I390 T434 D442 Y443	T386-K388 PolarHBondContact O-N 2.76Å; T386-K388 PolarHBondContact OG1-N 3.11Å; T386-G389 WeakPolarHBondContact O-CA 3.36Å; T386-G389 PolarHBondContact O-N 3.25Å; T386-I390 HydrophobicContact CG2-CB 4.16Å; T386-I390 WeakPolarHBondContact CG2-O 3.15Å; T386-I390 PolarHBondContact N-O 3.4Å; T386-I390 PolarHBondContact OG1-N 3.1Å; T386-T434 HydrophobicContact CG2-CG2 3.75Å; T386-D442 VanDerWaalsContact CB-OD2 3.27Å; T386-D442 WeakPolarHBondContact CB-OD2 3.01Å; T386-D442 HydrophobicContact CG2-CB 3.68Å; T386-D442 PolarHBondContact OG1-OD2 3.27Å; T386-Y443 CarbonylContact C-O 3.52Å; T386-Y443 VanDerWaalsContact CA-O 3.29Å; T386-Y443 WeakPolarHBondContact CA-O 3.39Å; T386-Y443 WeakPolarHBondContact CB-O 3.46Å
387	R	58.9	Low	76.5	Confident	54 Å²	54	58.1 Å²	58.1	20%	0.204	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-19	174.9	70.8	-157.7	171.1	174.7	2.4	114.5	D442 Y443 A445 G561 S563	R387-D442 IonicContact CZ-OD1 3.74Å; R387-D442 IonicContact NE-OD1 3.73Å; R387-D442 PolarHBondContact NE-OD1 3.45Å; R387-D442 IonicContact NE-OD2 2.75Å; R387-D442 IonicContact NH2-OD1 3.58Å; R387-D442 PolarHBondContact NH2-OD1 3.46Å; R387-Y443 WeakPolarHBondContact CG-O 3.29Å; R387-Y443 PolarHBondContact N-O 2.98Å; R387-A445 HydrophobicContact CB-CB 4Å; R387-G561 PolarHBondContact NH2-O 3.28Å; R387-S563 WeakPolarHBondContact CD-OG 3.19Å
388	K	48.9	Very low	76.7	Confident	75 Å²	75	56.9 Å²	56.9	33%	0.326	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	4.6	171.5	-63.8	176.5	-167.5	163.4	0	112	T386 I390 D442	T386-K388 PolarHBondContact O-N 2.76Å; T386-K388 PolarHBondContact OG1-N 3.11Å; K388-I390 HydrophobicContact CB-CD1 4.15Å; K388-I390 HydrophobicContact CB-CG1 4.05Å; K388-I390 HydrophobicContact CD-CD1 4.46Å; K388-I390 PolarHBondContact O-N 2.59Å; K388-D442 WeakPolarHBondContact CB-OD2 3.11Å; K388-D442 WeakPolarHBondContact CD-OD2 3.47Å; K388-D442 WeakPolarHBondContact CG-OD2 3.32Å; K388-D442 IonicContact NZ-OD1 2.91Å
389	G	49.1	Very low	76.8	Confident	29 Å²	29	55.8 Å²	55.8	30%	0.299	29%	0.285	S	S	.	.	S	Bend	trans	79.3	1.6	-177.8	0	0	0	0	0	114.2	T386	T386-G389 WeakPolarHBondContact O-CA 3.36Å; T386-G389 PolarHBondContact O-N 3.25Å
390	I	57.9	Low	76.9	Confident	21 Å²	21	57.9 Å²	57.9	11%	0.108	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-72.1	132.5	-177.8	-50.6	173.9	0	0	0	108.7	K385 T386 K388 T434 D436 T439	K385-I390 CarbonylContact C-O 3.55Å; K385-I390 WeakPolarHBondContact CA-O 3.4Å; T386-I390 HydrophobicContact CG2-CB 4.16Å; T386-I390 WeakPolarHBondContact CG2-O 3.15Å; T386-I390 PolarHBondContact N-O 3.4Å; T386-I390 PolarHBondContact OG1-N 3.1Å; K388-I390 HydrophobicContact CB-CD1 4.15Å; K388-I390 HydrophobicContact CB-CG1 4.05Å; K388-I390 HydrophobicContact CD-CD1 4.46Å; K388-I390 PolarHBondContact O-N 2.59Å; I390-T434 HydrophobicContact CG2-CG2 4.45Å; I390-D436 HydrophobicContact CD1-CB 4.31Å; I390-D436 HydrophobicContact CG2-CB 3.88Å; I390-T439 HydrophobicContact CD1-CG2 4.24Å
391	T	76.8	Confident	77.1	Confident	58 Å²	58	54.1 Å²	54.1	36%	0.356	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-67.2	139.9	177.7	-57.3	0	0	0	0	110.3	T435	T391-T435 HydrophobicContact CG2-CG2 4.29Å; T391-T435 WeakPolarHBondContact O-CG2 3.33Å; T391-T435 PolarHBondContact O-N 3.1Å; T391-T435 PolarHBondContact O-OG1 2.85Å; T391-T435 VanDerWaalsContact O-OG1 3.12Å
392	C	85.3	Confident	77.7	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.014	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-72	138.4	175.2	-64.4	0	0	0	0	111.1	R384 N418 C420 C432 Y433	R384-C392 WeakPolarHBondContact O-CB 3.49Å; R384-C392 PolarHBondContact O-N 3.18Å; R384-C392 PolarHBondContact O-SG 3.4Å; C392-N418 HydrophobicContact CB-CB 3.83Å; C392-N418 WeakPolarHBondContact CB-O 3.49Å; C392-N418 VanDerWaalsContact O-CB 3.28Å; C392-N418 WeakPolarHBondContact O-CB 3.49Å; C392-N418 PolarHBondContact O-ND2 2.77Å; C392-C420 VanDerWaalsContact SG-SG 3.68Å; C392-C432 VanDerWaalsContact CA-SG 3.54Å; C392-C432 HydrophobicContact CB-CB 3.52Å; C392-C432 WeakPolarHBondContact CB-SG 3.3Å; C392-C432 WeakPolarHBondContact SG-CB 2.98Å; C392-C432 CovalentContact SG-SG 2.01Å; C392-C432 PolarHBondContact SG-SG 3.14Å; C392-Y433 CarbonylContact C-O 3Å; C392-Y433 VanDerWaalsContact CA-O 3.26Å; C392-Y433 WeakPolarHBondContact CA-O 3.47Å
393	Q	91	Very high	78	Confident	6 Å²	6	57.4 Å²	57.4	3%	0.028	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-72.1	145.6	164.7	177.1	-177.3	-45.9	0	0	109.4	V397 T399 H401 N418 Y433 T435	Q393-V397 PolarHBondContact NE2-O 3.4Å; Q393-T399 VanDerWaalsContact CD-O 3.25Å; Q393-T399 WeakPolarHBondContact CG-O 3.46Å; Q393-T399 PolarHBondContact OE1-O 2.04Å; Q393-H401 PolarHBondContact NE2-O 3.05Å; Q393-N418 WeakPolarHBondContact O-CB 3.46Å; Q393-Y433 PolarHBondContact N-O 3.32Å; Q393-T435 HydrophobicContact CB-CG2 4.48Å
394	K	92.4	Very high	78.5	Confident	88 Å²	88	61.7 Å²	61.7	38%	0.383	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-65.9	136.5	175.6	-65.8	-168.7	-177.8	-152.8	0	110.7	N396 V397 E417 N418	K394-N396 WeakPolarHBondContact CB-OD1 3.47Å; K394-N396 PolarHBondContact O-N 2.83Å; K394-N396 VanDerWaalsContact O-N 3.09Å; K394-V397 HydrophobicContact CB-CB 4.24Å; K394-V397 HydrophobicContact CB-CG2 3.89Å; K394-V397 HydrophobicContact CD-CG2 4.48Å; K394-V397 PolarHBondContact O-N 3.26Å; K394-V397 VanDerWaalsContact O-N 3.08Å; K394-E417 WeakPolarHBondContact CA-O 3.46Å; K394-E417 WeakPolarHBondContact CE-OE2 3.37Å; K394-E417 IonicContact NZ-OE2 3.26Å; K394-E417 PolarHBondContact NZ-OE2 3.23Å; K394-N418 HydrophobicContact CB-CB 4.46Å; K394-N418 HydrophobicContact CG-CB 3.99Å
395	W	92.6	Very high	78.8	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-19.5	-177.3	-66	102.5	0	0	0	114.2	T403 I405 N406 P407 L415 E417 Y419 R421 P423 W431 C432 Y433	W395-T403 PolarHBondContact O-OG1 3.39Å; W395-I405 HydrophobicContact CZ3-CB 4.47Å; W395-I405 HydrophobicContact CZ3-CG2 4.17Å; W395-N406 WeakPolarHBondContact O-CB 3.5Å; W395-P407 HydrophobicContact CB-CG 4.4Å; W395-P407 WeakPolarHBondContact O-CD 3.42Å; W395-L415 HydrophobicContact CB-CB 3.86Å; W395-L415 HydrophobicContact CD2-CB 4.25Å; W395-L415 HydrophobicContact CD2-CD1 4.41Å; W395-L415 HydrophobicContact CD2-CD2 3.89Å; W395-L415 HydrophobicContact CD2-CG 4.4Å; W395-L415 HydrophobicContact CE3-CD1 4.21Å; W395-L415 HydrophobicContact CE3-CD2 4.17Å; W395-L415 HydrophobicContact CG-CB 3.8Å; W395-L415 HydrophobicContact CG-CD2 4.3Å; W395-L415 HydrophobicContact CG-CG 4.46Å; W395-L415 HydrophobicContact CH2-CD2 4.45Å; W395-L415 HydrophobicContact CZ2-CD2 4.2Å; W395-L415 HydrophobicContact CZ3-CD2 4.43Å; W395-E417 PolarHBondContact N-O 2.91Å; W395-Y419 PolarHBondContact NE1-O 3.45Å; W395-R421 HydrophobicContact CZ2-CB 3.93Å; W395-R421 HydrophobicContact CZ2-CG 4.44Å; W395-P423 HydrophobicContact CH2-CG 4.41Å; W395-W431 HydrophobicContact CH2-CD2 4.18Å; W395-W431 AromaticContact CH2-CE3 3.97Å; W395-W431 HydrophobicContact CH2-CE3 3.97Å; W395-W431 AromaticContact CH2-CH2 3.84Å; W395-W431 HydrophobicContact CH2-CH2 3.84Å; W395-W431 HydrophobicContact CH2-CZ2 4.05Å; W395-W431 AromaticContact CH2-CZ3 3.78Å; W395-W431 HydrophobicContact CH2-CZ3 3.78Å; W395-W431 WeakPolarHBondContact CZ2-O 3.32Å; W395-W431 AromaticContact CZ3-CH2 3.72Å; W395-W431 HydrophobicContact CZ3-CH2 3.72Å; W395-W431 HydrophobicContact CZ3-CZ2 4.21Å; W395-W431 AromaticContact CZ3-CZ3 3.88Å; W395-W431 HydrophobicContact CZ3-CZ3 3.88Å; W395-C432 HydrophobicContact CZ2-CB 4.14Å; W395-Y433 AromaticContact CE3-CD2 3.73Å; W395-Y433 HydrophobicContact CE3-CD2 3.73Å; W395-Y433 AromaticContact CE3-CE2 3.87Å; W395-Y433 HydrophobicContact CE3-CE2 3.87Å; W395-Y433 AromaticContact CZ3-CD2 3.63Å; W395-Y433 HydrophobicContact CZ3-CD2 3.63Å; W395-Y433 AromaticContact CZ3-CE2 3.65Å; W395-Y433 HydrophobicContact CZ3-CE2 3.65Å
396	N	91.1	Very high	79.8	Confident	114 Å²	114	53.3 Å²	53.3	61%	0.61	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	5	179.6	67.9	-14.8	0	0	0	114	K394 P407	K394-N396 WeakPolarHBondContact CB-OD1 3.47Å; K394-N396 PolarHBondContact O-N 2.83Å; K394-N396 VanDerWaalsContact O-N 3.09Å; N396-P407 HydrophobicContact CB-CG 4.28Å
397	V	89.3	Confident	81	Confident	60 Å²	60	55.6 Å²	55.6	36%	0.364	29%	0.291	S	S	.	.			trans	-112.1	139.2	179.5	177.1	0	0	0	0	108.9	Q393 K394 T403	Q393-V397 PolarHBondContact NE2-O 3.4Å; K394-V397 HydrophobicContact CB-CB 4.24Å; K394-V397 HydrophobicContact CB-CG2 3.89Å; K394-V397 HydrophobicContact CD-CG2 4.48Å; K394-V397 PolarHBondContact O-N 3.26Å; K394-V397 VanDerWaalsContact O-N 3.08Å; V397-T403 WeakPolarHBondContact O-CG2 3.43Å
398	N	89.4	Confident	82.4	Confident	92 Å²	92	64.2 Å²	64.2	49%	0.492	32%	0.324	S	S	.	.			trans	-103.6	36.2	-178.5	-71.2	-34.4	0	0	0	112.8	H401 T403	N398-H401 CarbonylContact C-O 3.5Å; N398-H401 VanDerWaalsContact CA-O 3.22Å; N398-H401 WeakPolarHBondContact CA-O 3.46Å; N398-T403 PolarHBondContact OD1-N 2.72Å; N398-T403 PolarHBondContact OD1-OG1 3.3Å
399	T	81.3	Confident	84.3	Confident	102 Å²	102	64.2 Å²	64.2	63%	0.626	33%	0.33	S	S	*	.	S	Bend	trans	-151.1	132.2	-177.7	-51.2	0	0	0	0	109.5	Q393 H401	Q393-T399 VanDerWaalsContact CD-O 3.25Å; Q393-T399 WeakPolarHBondContact CG-O 3.46Å; Q393-T399 PolarHBondContact OE1-O 2.04Å; T399-H401 PolarHBondContact N-O 3.25Å
400	P	84.2	Confident	86.2	Confident	56 Å²	56	66 Å²	66	36%	0.364	33%	0.33	S	S	.	.	S	Bend	cis	-68.6	-23.5	-0.6	28.5	-37.1	0	0	0	115.1	P437	P400-P437 HydrophobicContact CB-CB 4.48Å; P400-P437 HydrophobicContact CB-CG 4.26Å
401	H	86.5	Confident	87.5	Confident	19 Å²	19	69.1 Å²	69.1	9%	0.088	35%	0.352	C	S	.	.	S	Bend	trans	-103.9	147.1	-177	-54	-62.1	0	0	0	112.4	Q393 N398 T399 Y433 T434 D436 P437 T439 E440	Q393-H401 PolarHBondContact NE2-O 3.05Å; N398-H401 CarbonylContact C-O 3.5Å; N398-H401 VanDerWaalsContact CA-O 3.22Å; N398-H401 WeakPolarHBondContact CA-O 3.46Å; T399-H401 PolarHBondContact N-O 3.25Å; H401-Y433 HydrophobicContact CB-CD1 4.36Å; H401-T434 PolarHBondContact CD2-O 2.77Å; H401-T434 PolarHBondContact NE2-O 3.35Å; H401-D436 PolarHBondContact CE1-O 3.21Å; H401-D436 VanDerWaalsContact CE1-O 3.27Å; H401-D436 PolarHBondContact NE2-O 2.87Å; H401-P437 PolarHBondContact CE1-O 3.12Å; H401-T439 PolarHBondContact NE2-O 3.35Å; H401-T439 VanDerWaalsContact NE2-O 3.12Å; H401-E440 HydrophobicContact CB-CG 4.23Å; H401-E440 PolarHBondContact CD2-O 3.17Å; H401-E440 WeakPolarHBondContact NE2-CA 3.31Å
402	Q	87.9	Confident	87.9	Confident	157 Å²	157	73.4 Å²	73.4	73%	0.734	37%	0.373	S	S	*	.			trans	-76.9	123.8	171.5	-66.7	-171.7	7.3	0	0	110.3	R404	Q402-R404 PolarHBondContact O-N 3.19Å
403	T	85.4	Confident	87.7	Confident	12 Å²	12	74 Å²	74	7%	0.074	38%	0.378	C	S	.	.			trans	-84.9	107.1	-174.5	59.2	0	0	0	0	111.8	W395 V397 N398 N406 Y433	W395-T403 PolarHBondContact O-OG1 3.39Å; V397-T403 WeakPolarHBondContact O-CG2 3.43Å; N398-T403 PolarHBondContact OD1-N 2.72Å; N398-T403 PolarHBondContact OD1-OG1 3.3Å; T403-N406 PolarHBondContact O-ND2 2.88Å; T403-Y433 HydrophobicContact CG2-CD2 3.79Å; T403-Y433 HydrophobicContact CG2-CE2 3.91Å; T403-Y433 HydrophobicContact CG2-CG 4.21Å
404	R	86.9	Confident	87.4	Confident	123 Å²	123	77 Å²	77	46%	0.464	40%	0.395	S	S	.	.	S	Bend	trans	-72.5	-40.3	171.9	-56	178.4	-161.5	-164.4	-1.7	110.5	Q402 T409 Y433 E707 M708 A709	Q402-R404 PolarHBondContact O-N 3.19Å; R404-T409 PolarHBondContact O-OG1 2.85Å; R404-T409 VanDerWaalsContact O-OG1 3.1Å; R404-Y433 PolarHBondContact N-OH 3.22Å; R404-E707 PolarHBondContact NH1-O 3.22Å; R404-M708 PolarHBondContact NE-O 2.86Å; R404-M708 VanDerWaalsContact NH1-C 3.35Å; R404-M708 PolarHBondContact NH1-O 3.05Å; R404-M708 PolarHBondContact NH2-O 3.29Å; R404-A709 PolarHBondContact NH1-O 3.02Å; R404-A709 VanDerWaalsContact NH2-C 3.28Å; R404-A709 PolarHBondContact NH2-O 3.08Å
405	I	87.3	Confident	87.2	Confident	23 Å²	23	73.4 Å²	73.4	12%	0.118	38%	0.379	C	S	.	.	S	Bend	trans	-99.9	117	173.7	-63.1	169.9	0	0	0	109	W395 H410 L415 P423 D424 W431 Y433	W395-I405 HydrophobicContact CZ3-CB 4.47Å; W395-I405 HydrophobicContact CZ3-CG2 4.17Å; I405-H410 HydrophobicContact CG2-CB 4.41Å; I405-L415 HydrophobicContact CG2-CD1 3.72Å; I405-P423 HydrophobicContact CD1-CG 4.38Å; I405-P423 HydrophobicContact CG2-CB 3.79Å; I405-P423 HydrophobicContact CG2-CG 3.47Å; I405-P423 VanDerWaalsContact CG2-CG 3.47Å; I405-D424 HydrophobicContact CD1-CB 4.32Å; I405-W431 HydrophobicContact CB-CH2 4.48Å; I405-W431 HydrophobicContact CD1-CH2 3.93Å; I405-W431 HydrophobicContact CD1-CZ2 3.69Å; I405-Y433 HydrophobicContact CB-CE2 4.41Å; I405-Y433 PolarHBondContact N-OH 3.35Å; I405-Y433 VanDerWaalsContact N-OH 3.12Å; I405-Y433 WeakPolarHBondContact O-CE2 3.4Å
406	N	89.1	Confident	86.6	Confident	26 Å²	26	76.4 Å²	76.4	14%	0.139	40%	0.398	C	S	.	.			trans	-152.4	171.5	-175	63.6	58.5	0	0	0	110.5	W395 T403 R408 T409 H410 L415	W395-N406 WeakPolarHBondContact O-CB 3.5Å; T403-N406 PolarHBondContact O-ND2 2.88Å; N406-R408 PolarHBondContact O-N 3.31Å; N406-R408 WeakPolarHBondContact OD1-CA 3.35Å; N406-R408 VanDerWaalsContact OD1-CB 3.29Å; N406-R408 WeakPolarHBondContact OD1-CB 3.26Å; N406-R408 PolarHBondContact OD1-N 2.88Å; N406-T409 PolarHBondContact N-OG1 2.95Å; N406-T409 PolarHBondContact O-N 3.49Å; N406-T409 PolarHBondContact O-OG1 3.4Å; N406-T409 PolarHBondContact OD1-N 2.72Å; N406-T409 VanDerWaalsContact OD1-N 3.09Å; N406-H410 PolarHBondContact O-N 3.29Å; N406-L415 VanDerWaalsContact C-CD1 3.46Å
407	P	90.8	Very high	86.5	Confident	51 Å²	51	75.3 Å²	75.3	33%	0.331	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-18.5	-176.6	-26.2	35.3	0	0	0	115	W395 N396 L415	W395-P407 HydrophobicContact CB-CG 4.4Å; W395-P407 WeakPolarHBondContact O-CD 3.42Å; N396-P407 HydrophobicContact CB-CG 4.28Å; P407-L415 HydrophobicContact CG-CB 4.01Å; P407-L415 WeakPolarHBondContact CG-O 3.39Å
408	R	86.8	Confident	86.6	Confident	235 Å²	235	73.5 Å²	73.5	89%	0.887	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-38.7	176	-58.5	-178.7	177.4	-178.5	-0.7	111.9	N406	N406-R408 PolarHBondContact O-N 3.31Å; N406-R408 WeakPolarHBondContact OD1-CA 3.35Å; N406-R408 VanDerWaalsContact OD1-CB 3.29Å; N406-R408 WeakPolarHBondContact OD1-CB 3.26Å; N406-R408 PolarHBondContact OD1-N 2.88Å
409	T	88.8	Confident	86.5	Confident	74 Å²	74	71.9 Å²	71.9	45%	0.454	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-31.1	-179.5	57.7	0	0	0	0	112.4	R404 N406	R404-T409 PolarHBondContact O-OG1 2.85Å; R404-T409 VanDerWaalsContact O-OG1 3.1Å; N406-T409 PolarHBondContact N-OG1 2.95Å; N406-T409 PolarHBondContact O-N 3.49Å; N406-T409 PolarHBondContact O-OG1 3.4Å; N406-T409 PolarHBondContact OD1-N 2.72Å; N406-T409 VanDerWaalsContact OD1-N 3.09Å
410	H	88.6	Confident	86.9	Confident	66 Å²	66	67 Å²	67	31%	0.306	34%	0.335	S	S	.	.			trans	-131.1	71.2	-177.8	-63.5	72.1	0	0	0	110.9	I405 N406 D412 A413 L415 P423	I405-H410 HydrophobicContact CG2-CB 4.41Å; N406-H410 PolarHBondContact O-N 3.29Å; H410-D412 VanDerWaalsContact C-N 3.3Å; H410-D412 PolarHBondContact O-N 3.24Å; H410-A413 HydrophobicContact CB-CB 4Å; H410-A413 PolarHBondContact O-N 2.85Å; H410-L415 HydrophobicContact CB-CD1 4.06Å; H410-P423 HydrophobicContact CB-CB 4.46Å
411	P	87.1	Confident	87.3	Confident	88 Å²	88	64.6 Å²	64.6	57%	0.571	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-63.2	-34.1	-174	25.2	-34.1	0	0	0	113	A413	P411-A413 VanDerWaalsContact C-N 3.29Å; P411-A413 PolarHBondContact O-N 3.41Å
412	D	84.6	Confident	87.5	Confident	147 Å²	147	63.8 Å²	63.8	79%	0.786	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-79.4	-9.8	-176.7	-56.7	-44.4	0	0	0	113.7	H410 N414	H410-D412 VanDerWaalsContact C-N 3.3Å; H410-D412 PolarHBondContact O-N 3.24Å; D412-N414 VanDerWaalsContact C-N 3.28Å; D412-N414 PolarHBondContact O-N 3.05Å
413	A	81.4	Confident	87.6	Confident	15 Å²	15	57.1 Å²	57.1	12%	0.124	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-82.8	-0.1	-176.9	0	0	0	0	0	114.2	H410 P411 L415 P423	H410-A413 HydrophobicContact CB-CB 4Å; H410-A413 PolarHBondContact O-N 2.85Å; P411-A413 VanDerWaalsContact C-N 3.29Å; P411-A413 PolarHBondContact O-N 3.41Å; A413-L415 VanDerWaalsContact C-N 3.32Å; A413-L415 HydrophobicContact CB-CD1 4.43Å; A413-L415 HydrophobicContact CB-CD2 3.99Å; A413-L415 HydrophobicContact CB-CG 3.91Å; A413-L415 PolarHBondContact O-N 2.91Å; A413-P423 HydrophobicContact CB-CB 3.63Å
414	N	83.3	Confident	87.5	Confident	70 Å²	70	59.7 Å²	59.7	37%	0.374	30%	0.298	S	S	.	.			trans	49.2	51.2	179.6	-166.7	-11.8	0	0	0	112.4	D412 T416 R421	D412-N414 VanDerWaalsContact C-N 3.28Å; D412-N414 PolarHBondContact O-N 3.05Å; N414-T416 PolarHBondContact O-N 3.32Å; N414-T416 PolarHBondContact O-OG1 2.01Å; N414-T416 WeakPolarHBondContact OD1-CG2 3.23Å; N414-T416 PolarHBondContact OD1-OG1 3.13Å; N414-R421 PolarHBondContact O-NE 2.69Å
415	L	88.1	Confident	87.3	Confident	12 Å²	12	54.7 Å²	54.7	6%	0.063	29%	0.285	C	S	.	.			trans	-75.3	65.9	-179.5	-60.8	-178	0	0	0	111	W395 I405 N406 P407 H410 A413 R421 P423	W395-L415 HydrophobicContact CB-CB 3.86Å; W395-L415 HydrophobicContact CD2-CB 4.25Å; W395-L415 HydrophobicContact CD2-CD1 4.41Å; W395-L415 HydrophobicContact CD2-CD2 3.89Å; W395-L415 HydrophobicContact CD2-CG 4.4Å; W395-L415 HydrophobicContact CE3-CD1 4.21Å; W395-L415 HydrophobicContact CE3-CD2 4.17Å; W395-L415 HydrophobicContact CG-CB 3.8Å; W395-L415 HydrophobicContact CG-CD2 4.3Å; W395-L415 HydrophobicContact CG-CG 4.46Å; W395-L415 HydrophobicContact CH2-CD2 4.45Å; W395-L415 HydrophobicContact CZ2-CD2 4.2Å; W395-L415 HydrophobicContact CZ3-CD2 4.43Å; I405-L415 HydrophobicContact CG2-CD1 3.72Å; N406-L415 VanDerWaalsContact C-CD1 3.46Å; P407-L415 HydrophobicContact CG-CB 4.01Å; P407-L415 WeakPolarHBondContact CG-O 3.39Å; H410-L415 HydrophobicContact CB-CD1 4.06Å; A413-L415 VanDerWaalsContact C-N 3.32Å; A413-L415 HydrophobicContact CB-CD1 4.43Å; A413-L415 HydrophobicContact CB-CD2 3.99Å; A413-L415 HydrophobicContact CB-CG 3.91Å; A413-L415 PolarHBondContact O-N 2.91Å; L415-R421 HydrophobicContact CD2-CB 3.62Å; L415-R421 HydrophobicContact CD2-CG 3.77Å; L415-P423 HydrophobicContact CD2-CB 4.17Å; L415-P423 HydrophobicContact CD2-CG 4.15Å
416	T	80.1	Confident	86.9	Confident	62 Å²	62	54 Å²	54	38%	0.38	28%	0.282	S	S	.	.			trans	-91.2	139.2	-177.8	38.8	0	0	0	0	111.8	N414 N418 Y419 R421	N414-T416 PolarHBondContact O-N 3.32Å; N414-T416 PolarHBondContact O-OG1 2.01Å; N414-T416 WeakPolarHBondContact OD1-CG2 3.23Å; N414-T416 PolarHBondContact OD1-OG1 3.13Å; T416-N418 PolarHBondContact O-N 3.25Å; T416-Y419 VanDerWaalsContact O-CD2 3.28Å; T416-Y419 WeakPolarHBondContact O-CD2 3.45Å; T416-Y419 PolarHBondContact O-N 2.99Å; T416-R421 PolarHBondContact OG1-NH2 3.38Å
417	E	89.6	Confident	86.1	Confident	92 Å²	92	55.7 Å²	55.7	43%	0.43	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	-130	-177.4	-63.7	-62	159.1	0	0	112.6	K394 W395 Y419	K394-E417 WeakPolarHBondContact CA-O 3.46Å; K394-E417 WeakPolarHBondContact CE-OE2 3.37Å; K394-E417 IonicContact NZ-OE2 3.26Å; K394-E417 PolarHBondContact NZ-OE2 3.23Å; W395-E417 PolarHBondContact N-O 2.91Å; E417-Y419 HydrophobicContact CB-CD2 4.07Å; E417-Y419 HydrophobicContact CB-CE1 4.49Å; E417-Y419 HydrophobicContact CB-CE2 3.86Å; E417-Y419 HydrophobicContact CB-CG 4.48Å; E417-Y419 HydrophobicContact CG-CE2 3.99Å
418	N	90.8	Very high	85.2	Confident	22 Å²	22	55 Å²	55	12%	0.118	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	28.2	172.8	65.6	-22	0	0	0	111.5	C392 Q393 K394 T416	C392-N418 HydrophobicContact CB-CB 3.83Å; C392-N418 WeakPolarHBondContact CB-O 3.49Å; C392-N418 VanDerWaalsContact O-CB 3.28Å; C392-N418 WeakPolarHBondContact O-CB 3.49Å; C392-N418 PolarHBondContact O-ND2 2.77Å; Q393-N418 WeakPolarHBondContact O-CB 3.46Å; K394-N418 HydrophobicContact CB-CB 4.46Å; K394-N418 HydrophobicContact CG-CB 3.99Å; T416-N418 PolarHBondContact O-N 3.25Å
419	Y	89.1	Confident	84.9	Confident	57 Å²	57	43.8 Å²	43.8	22%	0.224	24%	0.239	C	C	.	.			trans	-72.7	144.1	-179.2	-57.5	-45.3	0	0	0	111.4	V382 V383 R384 W395 T416 E417 R421	V382-Y419 HydrophobicContact CB-CD1 4.18Å; V382-Y419 HydrophobicContact CB-CE1 3.95Å; V382-Y419 HydrophobicContact CG1-CE1 4.32Å; V382-Y419 HydrophobicContact CG1-CE2 4.48Å; V382-Y419 WeakPolarHBondContact O-CD1 3.35Å; V382-Y419 WeakPolarHBondContact O-CE1 3.36Å; V383-Y419 CarbonylContact O-C 3.48Å; V383-Y419 WeakPolarHBondContact O-CA 3.29Å; R384-Y419 HydrophobicContact CB-CD1 4.22Å; W395-Y419 PolarHBondContact NE1-O 3.45Å; T416-Y419 VanDerWaalsContact O-CD2 3.28Å; T416-Y419 WeakPolarHBondContact O-CD2 3.45Å; T416-Y419 PolarHBondContact O-N 2.99Å; E417-Y419 HydrophobicContact CB-CD2 4.07Å; E417-Y419 HydrophobicContact CB-CE1 4.49Å; E417-Y419 HydrophobicContact CB-CE2 3.86Å; E417-Y419 HydrophobicContact CB-CG 4.48Å; E417-Y419 HydrophobicContact CG-CE2 3.99Å; Y419-R421 PolarHBondContact O-N 3.39Å
420	C	88.7	Confident	84.9	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.218	C	C	.	.			trans	-62.3	132	176.5	-62.8	0	0	0	0	111.1	Y379 V383 C392 P430 W431 C444 I446	Y379-C420 WeakPolarHBondContact CD1-O 3.42Å; Y379-C420 HydrophobicContact CE1-CB 4.41Å; Y379-C420 WeakPolarHBondContact CE1-O 3.28Å; V383-C420 WeakPolarHBondContact O-CB 3.42Å; V383-C420 PolarHBondContact O-N 3.43Å; V383-C420 PolarHBondContact O-SG 3.1Å; C392-C420 VanDerWaalsContact SG-SG 3.68Å; C420-P430 HydrophobicContact CB-CB 4.21Å; C420-W431 WeakPolarHBondContact CA-O 3.45Å; C420-C444 HydrophobicContact CB-CB 3.55Å; C420-C444 WeakPolarHBondContact CB-SG 3.1Å; C420-C444 WeakPolarHBondContact SG-CB 2.94Å; C420-C444 CovalentContact SG-SG 2Å; C420-C444 PolarHBondContact SG-SG 3.38Å; C420-I446 HydrophobicContact CB-CD1 3.65Å
421	R	92.6	Very high	85	Confident	5 Å²	5	37.2 Å²	37.2	2%	0.019	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-141.4	162.8	-177.6	-65.4	-69.6	179.4	-95.6	2.7	109.4	G381 W395 N414 L415 T416 Y419 P423 P430 W431	G381-R421 PolarHBondContact O-NH1 3.48Å; G381-R421 PolarHBondContact O-NH2 2.74Å; W395-R421 HydrophobicContact CZ2-CB 3.93Å; W395-R421 HydrophobicContact CZ2-CG 4.44Å; N414-R421 PolarHBondContact O-NE 2.69Å; L415-R421 HydrophobicContact CD2-CB 3.62Å; L415-R421 HydrophobicContact CD2-CG 3.77Å; T416-R421 PolarHBondContact OG1-NH2 3.38Å; Y419-R421 PolarHBondContact O-N 3.39Å; R421-P423 WeakPolarHBondContact O-CD 3.36Å; R421-P430 WeakPolarHBondContact O-CA 3.2Å; R421-W431 PolarHBondContact N-O 3.34Å; R421-W431 PolarHBondContact O-N 2.78Å
422	N	91.4	Very high	85.2	Confident	3 Å²	3	33 Å²	33	2%	0.016	18%	0.176	C	C	.	.			trans	-123.7	69	171.7	-168.8	6.7	0	0	0	110.8	N375 G376 D424 G425 D426 P430	N375-N422 PolarHBondContact O-ND2 3.38Å; G376-N422 WeakPolarHBondContact O-CB 3.34Å; N422-D424 VanDerWaalsContact C-N 3.3Å; N422-D424 PolarHBondContact O-N 3.47Å; N422-D424 PolarHBondContact OD1-OD1 2.02Å; N422-G425 WeakPolarHBondContact OD1-CA 3.24Å; N422-G425 PolarHBondContact OD1-N 2.79Å; N422-D426 PolarHBondContact ND2-N 2.76Å; N422-D426 PolarHBondContact ND2-O 2.84Å; N422-D426 WeakPolarHBondContact OD1-CB 3.46Å; N422-D426 PolarHBondContact OD1-N 3.35Å; N422-P430 HydrophobicContact CB-CB 4.44Å
423	P	89.9	Confident	85.6	Confident	17 Å²	17	26 Å²	26	11%	0.11	14%	0.139	C	C	.	.	S	Bend	trans	-66.5	-29.7	-176.8	25.7	-33.9	0	0	0	113.9	W395 I405 H410 A413 L415 R421 W431	W395-P423 HydrophobicContact CH2-CG 4.41Å; I405-P423 HydrophobicContact CD1-CG 4.38Å; I405-P423 HydrophobicContact CG2-CB 3.79Å; I405-P423 HydrophobicContact CG2-CG 3.47Å; I405-P423 VanDerWaalsContact CG2-CG 3.47Å; H410-P423 HydrophobicContact CB-CB 4.46Å; A413-P423 HydrophobicContact CB-CB 3.63Å; L415-P423 HydrophobicContact CD2-CB 4.17Å; L415-P423 HydrophobicContact CD2-CG 4.15Å; R421-P423 WeakPolarHBondContact O-CD 3.36Å; P423-W431 HydrophobicContact CG-CZ2 3.98Å
424	D	83.6	Confident	85.6	Confident	66 Å²	66	25.3 Å²	25.3	35%	0.353	13%	0.133	S	C	.	.	S	Bend	trans	-90.3	-10	-177	52.2	-19.9	0	0	0	113.2	I405 N422 W431 K704	I405-D424 HydrophobicContact CD1-CB 4.32Å; N422-D424 VanDerWaalsContact C-N 3.3Å; N422-D424 PolarHBondContact O-N 3.47Å; N422-D424 PolarHBondContact OD1-OD1 2.02Å; D424-W431 PolarHBondContact OD1-NE1 3.04Å; D424-W431 PolarHBondContact OD2-NE1 3.35Å; D424-K704 IonicContact OD1-NZ 3.52Å; D424-K704 VanDerWaalsContact OD2-CE 3.25Å; D424-K704 WeakPolarHBondContact OD2-CE 3.29Å; D424-K704 IonicContact OD2-NZ 3.76Å; D424-K704 PolarHBondContact OD2-NZ 2.8Å
425	G	81.2	Confident	85.5	Confident	18 Å²	18	25.2 Å²	25.2	19%	0.186	13%	0.134	C	C	.	.			trans	75.6	24.3	178.2	0	0	0	0	0	114.1	N375 N422 Q427	N375-G425 PolarHBondContact ND2-O 3.02Å; N422-G425 WeakPolarHBondContact OD1-CA 3.24Å; N422-G425 PolarHBondContact OD1-N 2.79Å; G425-Q427 PolarHBondContact O-N 2.81Å
426	D	79.3	Confident	84.7	Confident	8 Å²	8	26.1 Å²	26.1	4%	0.043	14%	0.14	C	C	.	.			trans	-54.8	128.5	177.7	-173.2	-43.5	0	0	0	111.9	N375 N422 H428 G429 Y443 K704	N375-D426 WeakPolarHBondContact CB-O 3.09Å; N422-D426 PolarHBondContact ND2-N 2.76Å; N422-D426 PolarHBondContact ND2-O 2.84Å; N422-D426 WeakPolarHBondContact OD1-CB 3.46Å; N422-D426 PolarHBondContact OD1-N 3.35Å; D426-H428 PolarHBondContact O-N 3.12Å; D426-H428 VanDerWaalsContact OD1-CB 3.28Å; D426-H428 WeakPolarHBondContact OD1-CB 3.48Å; D426-H428 IonicContact OD1-CG 3.3Å; D426-H428 PolarHBondContact OD1-N 3.07Å; D426-H428 IonicContact OD1-ND1 3.79Å; D426-G429 PolarHBondContact O-N 2.02Å; D426-Y443 VanDerWaalsContact CG-OH 3.31Å; D426-Y443 WeakPolarHBondContact OD1-CE1 3.48Å; D426-Y443 PolarHBondContact OD1-OH 3.07Å; D426-Y443 WeakPolarHBondContact OD2-CE1 3.19Å; D426-Y443 VanDerWaalsContact OD2-CZ 3.29Å; D426-Y443 PolarHBondContact OD2-OH 3.43Å; D426-K704 WeakPolarHBondContact OD2-CD 3.47Å; D426-K704 IonicContact OD2-NZ 3.62Å; D426-K704 PolarHBondContact OD2-NZ 3.19Å
427	Q	72.6	Confident	84.4	Confident	61 Å²	61	28 Å²	28	29%	0.285	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-15.4	-173.5	-65	-70.9	-12.8	0	0	113	G425 G429 D700	G425-Q427 PolarHBondContact O-N 2.81Å; Q427-G429 VanDerWaalsContact C-N 3.27Å; Q427-G429 PolarHBondContact O-N 2.75Å; Q427-D700 WeakPolarHBondContact CA-OD2 3.46Å; Q427-D700 VanDerWaalsContact CB-OD2 3.29Å; Q427-D700 WeakPolarHBondContact CB-OD2 3.46Å; Q427-D700 PolarHBondContact N-OD2 3.11Å
428	H	72.8	Confident	83.1	Confident	37 Å²	37	30 Å²	30	17%	0.171	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-2.2	177.8	-66.4	81.9	0	0	0	113.9	Y372 D426 Y443 P562 V697 Y698 D700	Y372-H428 PolarHBondContact OH-O 3.33Å; D426-H428 PolarHBondContact O-N 3.12Å; D426-H428 VanDerWaalsContact OD1-CB 3.28Å; D426-H428 WeakPolarHBondContact OD1-CB 3.48Å; D426-H428 IonicContact OD1-CG 3.3Å; D426-H428 PolarHBondContact OD1-N 3.07Å; D426-H428 IonicContact OD1-ND1 3.79Å; H428-Y443 HydrophobicContact CB-CD1 3.91Å; H428-Y443 HydrophobicContact CB-CE1 3.42Å; H428-Y443 VanDerWaalsContact CB-CE1 3.42Å; H428-Y443 HydrophobicContact CB-CE2 4.3Å; H428-P562 VanDerWaalsContact CD2-CG 3.49Å; H428-P562 WeakPolarHBondContact CD2-CG 3.45Å; H428-V697 PolarHBondContact CE1-O 2.83Å; H428-V697 PolarHBondContact NE2-O 3.25Å; H428-Y698 AromaticContact CE1-CD1 3.98Å; H428-Y698 AromaticContact NE2-CD1 3.23Å; H428-Y698 WeakPolarHBondContact NE2-CD1 3.39Å; H428-Y698 AromaticContact NE2-CE1 3.61Å; H428-D700 IonicContact CE1-OD1 3.84Å; H428-D700 PolarHBondContact CE1-OD1 3.28Å; H428-D700 IonicContact CE1-OD2 2.7Å; H428-D700 IonicContact CG-OD2 2.94Å; H428-D700 VanDerWaalsContact ND1-CG 3.29Å; H428-D700 IonicContact ND1-OD1 3.13Å; H428-D700 PolarHBondContact ND1-OD1 2.82Å; H428-D700 IonicContact ND1-OD2 2.68Å; H428-D700 PolarHBondContact ND1-OD2 2.89Å
429	G	80.4	Confident	82	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.			trans	104.8	-173.7	172.1	0	0	0	0	0	114.5	N375 D426 Q427	N375-G429 WeakPolarHBondContact O-CA 3.45Å; D426-G429 PolarHBondContact O-N 2.02Å; Q427-G429 VanDerWaalsContact C-N 3.27Å; Q427-G429 PolarHBondContact O-N 2.75Å
430	P	87.6	Confident	81.6	Confident	2 Å²	2	28.4 Å²	28.4	1%	0.013	16%	0.155	C	C	.	.			trans	-65.3	143.7	-179.9	-14	26.9	0	0	0	112.7	Y372 Y379 C420 R421 N422 C444 I446	Y372-P430 HydrophobicContact CD1-CG 3.97Å; Y372-P430 HydrophobicContact CG-CG 4.04Å; Y379-P430 HydrophobicContact CD1-CB 4.02Å; Y379-P430 HydrophobicContact CD1-CG 3.83Å; Y379-P430 HydrophobicContact CG-CG 3.84Å; C420-P430 HydrophobicContact CB-CB 4.21Å; R421-P430 WeakPolarHBondContact O-CA 3.2Å; N422-P430 HydrophobicContact CB-CB 4.44Å; P430-C444 WeakPolarHBondContact O-CB 3.48Å; P430-C444 PolarHBondContact O-N 2.81Å; P430-I446 HydrophobicContact CB-CD1 3.71Å; P430-I446 HydrophobicContact CG-CD1 3.84Å
431	W	90.2	Very high	81.5	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	177	-176.7	63.6	-83	0	0	0	110	W395 I405 C420 R421 P423 D424 Y433 F441 D442 Y443 K704 M708	W395-W431 HydrophobicContact CH2-CD2 4.18Å; W395-W431 AromaticContact CH2-CE3 3.97Å; W395-W431 HydrophobicContact CH2-CE3 3.97Å; W395-W431 AromaticContact CH2-CH2 3.84Å; W395-W431 HydrophobicContact CH2-CH2 3.84Å; W395-W431 HydrophobicContact CH2-CZ2 4.05Å; W395-W431 AromaticContact CH2-CZ3 3.78Å; W395-W431 HydrophobicContact CH2-CZ3 3.78Å; W395-W431 WeakPolarHBondContact CZ2-O 3.32Å; W395-W431 AromaticContact CZ3-CH2 3.72Å; W395-W431 HydrophobicContact CZ3-CH2 3.72Å; W395-W431 HydrophobicContact CZ3-CZ2 4.21Å; W395-W431 AromaticContact CZ3-CZ3 3.88Å; W395-W431 HydrophobicContact CZ3-CZ3 3.88Å; I405-W431 HydrophobicContact CB-CH2 4.48Å; I405-W431 HydrophobicContact CD1-CH2 3.93Å; I405-W431 HydrophobicContact CD1-CZ2 3.69Å; C420-W431 WeakPolarHBondContact CA-O 3.45Å; R421-W431 PolarHBondContact N-O 3.34Å; R421-W431 PolarHBondContact O-N 2.78Å; P423-W431 HydrophobicContact CG-CZ2 3.98Å; D424-W431 PolarHBondContact OD1-NE1 3.04Å; D424-W431 PolarHBondContact OD2-NE1 3.35Å; W431-Y433 HydrophobicContact CH2-CE2 4.03Å; W431-Y433 HydrophobicContact CZ3-CD2 4.11Å; W431-Y433 HydrophobicContact CZ3-CE2 4.04Å; W431-Y433 HydrophobicContact CZ3-CG 4.37Å; W431-F441 HydrophobicContact CE3-CB 3.79Å; W431-F441 HydrophobicContact CE3-CD2 4.11Å; W431-F441 HydrophobicContact CE3-CG 4.28Å; W431-F441 HydrophobicContact CZ3-CB 3.9Å; W431-F441 HydrophobicContact CZ3-CG 4.49Å; W431-D442 WeakPolarHBondContact CB-O 3.28Å; W431-Y443 HydrophobicContact CB-CD1 3.91Å; W431-Y443 HydrophobicContact CB-CE1 4.34Å; W431-Y443 HydrophobicContact CB-CG 4.44Å; W431-K704 VanDerWaalsContact CG-NZ 3.29Å; W431-M708 HydrophobicContact CH2-CE 3.69Å; W431-M708 HydrophobicContact CH2-SD 4.14Å; W431-M708 HydrophobicContact CZ3-CE 3.63Å; W431-M708 HydrophobicContact CZ3-SD 4.26Å
432	C	91.9	Very high	80.4	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	158.6	171.3	63.5	0	0	0	0	111	C392 W395 F441 D442	C392-C432 VanDerWaalsContact CA-SG 3.54Å; C392-C432 HydrophobicContact CB-CB 3.52Å; C392-C432 WeakPolarHBondContact CB-SG 3.3Å; C392-C432 WeakPolarHBondContact SG-CB 2.98Å; C392-C432 CovalentContact SG-SG 2.01Å; C392-C432 PolarHBondContact SG-SG 3.14Å; W395-C432 HydrophobicContact CZ2-CB 4.14Å; C432-F441 VanDerWaalsContact O-CA 3.31Å; C432-F441 WeakPolarHBondContact O-CA 3.46Å; C432-F441 WeakPolarHBondContact O-CB 3.32Å; C432-D442 PolarHBondContact N-O 3.21Å; C432-D442 PolarHBondContact O-N 3.02Å; C432-D442 VanDerWaalsContact O-N 3.16Å
433	Y	92.1	Very high	79.7	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	144.8	159.8	-69.1	-79.1	0	0	0	109	C392 Q393 W395 H401 T403 R404 I405 W431 E440 M708	C392-Y433 CarbonylContact C-O 3Å; C392-Y433 VanDerWaalsContact CA-O 3.26Å; C392-Y433 WeakPolarHBondContact CA-O 3.47Å; Q393-Y433 PolarHBondContact N-O 3.32Å; W395-Y433 AromaticContact CE3-CD2 3.73Å; W395-Y433 HydrophobicContact CE3-CD2 3.73Å; W395-Y433 AromaticContact CE3-CE2 3.87Å; W395-Y433 HydrophobicContact CE3-CE2 3.87Å; W395-Y433 AromaticContact CZ3-CD2 3.63Å; W395-Y433 HydrophobicContact CZ3-CD2 3.63Å; W395-Y433 AromaticContact CZ3-CE2 3.65Å; W395-Y433 HydrophobicContact CZ3-CE2 3.65Å; H401-Y433 HydrophobicContact CB-CD1 4.36Å; T403-Y433 HydrophobicContact CG2-CD2 3.79Å; T403-Y433 HydrophobicContact CG2-CE2 3.91Å; T403-Y433 HydrophobicContact CG2-CG 4.21Å; R404-Y433 PolarHBondContact N-OH 3.22Å; I405-Y433 HydrophobicContact CB-CE2 4.41Å; I405-Y433 PolarHBondContact N-OH 3.35Å; I405-Y433 VanDerWaalsContact N-OH 3.12Å; I405-Y433 WeakPolarHBondContact O-CE2 3.4Å; W431-Y433 HydrophobicContact CH2-CE2 4.03Å; W431-Y433 HydrophobicContact CZ3-CD2 4.11Å; W431-Y433 HydrophobicContact CZ3-CE2 4.04Å; W431-Y433 HydrophobicContact CZ3-CG 4.37Å; Y433-E440 VanDerWaalsContact CA-O 3.28Å; Y433-E440 WeakPolarHBondContact CA-O 3.31Å; Y433-E440 HydrophobicContact CD1-CG 4.29Å; Y433-E440 WeakPolarHBondContact CD1-O 3.39Å; Y433-E440 HydrophobicContact CE1-CG 4.37Å; Y433-M708 HydrophobicContact CD1-CE 4.03Å; Y433-M708 HydrophobicContact CE1-CE 3.26Å
434	T	82.8	Confident	79.1	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-105.4	158.6	-176.6	99.2	0	0	0	0	112.4	T386 I390 H401 D436 T439 E440 D442	T386-T434 HydrophobicContact CG2-CG2 3.75Å; I390-T434 HydrophobicContact CG2-CG2 4.45Å; H401-T434 PolarHBondContact CD2-O 2.77Å; H401-T434 PolarHBondContact NE2-O 3.35Å; T434-D436 PolarHBondContact O-N 2.62Å; T434-D436 WeakPolarHBondContact OG1-CB 3.06Å; T434-D436 PolarHBondContact OG1-N 2.84Å; T434-D436 PolarHBondContact OG1-O 3.39Å; T434-T439 WeakPolarHBondContact CB-O 3.32Å; T434-T439 HydrophobicContact CG2-CG2 3.88Å; T434-T439 WeakPolarHBondContact CG2-O 3.08Å; T434-T439 PolarHBondContact OG1-O 3.39Å; T434-E440 PolarHBondContact N-O 2.73Å; T434-D442 HydrophobicContact CG2-CB 3.88Å
435	T	80.7	Confident	78.3	Confident	67 Å²	67	28.9 Å²	28.9	41%	0.411	17%	0.167	S	C	.	.	S	Bend	trans	-79.1	-3.4	172.7	57	0	0	0	0	113.5	T391 Q393 P437	T391-T435 HydrophobicContact CG2-CG2 4.29Å; T391-T435 WeakPolarHBondContact O-CG2 3.33Å; T391-T435 PolarHBondContact O-N 3.1Å; T391-T435 PolarHBondContact O-OG1 2.85Å; T391-T435 VanDerWaalsContact O-OG1 3.12Å; Q393-T435 HydrophobicContact CB-CG2 4.48Å; T435-P437 WeakPolarHBondContact O-CD 3.28Å
436	D	71.8	Confident	77.8	Confident	32 Å²	32	28.7 Å²	28.7	17%	0.171	16%	0.161	C	C	.	.			trans	-83.9	118	175.9	170.6	15.5	0	0	0	110	I390 H401 T434 K438 T439	I390-D436 HydrophobicContact CD1-CB 4.31Å; I390-D436 HydrophobicContact CG2-CB 3.88Å; H401-D436 PolarHBondContact CE1-O 3.21Å; H401-D436 VanDerWaalsContact CE1-O 3.27Å; H401-D436 PolarHBondContact NE2-O 2.87Å; T434-D436 PolarHBondContact O-N 2.62Å; T434-D436 WeakPolarHBondContact OG1-CB 3.06Å; T434-D436 PolarHBondContact OG1-N 2.84Å; T434-D436 PolarHBondContact OG1-O 3.39Å; D436-K438 PolarHBondContact O-N 2.75Å; D436-K438 PolarHBondContact OD1-N 3Å; D436-T439 CarbonylContact O-C 3.49Å; D436-T439 PolarHBondContact O-N 3.3Å; D436-T439 WeakPolarHBondContact OD2-CB 3.31Å; D436-T439 PolarHBondContact OD2-OG1 3.1Å
437	P	72.6	Confident	77.2	Confident	100 Å²	100	34.2 Å²	34.2	65%	0.649	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-20.7	179	-24	34.1	0	0	0	114.9	P400 H401 T435	P400-P437 HydrophobicContact CB-CB 4.48Å; P400-P437 HydrophobicContact CB-CG 4.26Å; H401-P437 PolarHBondContact CE1-O 3.12Å; T435-P437 WeakPolarHBondContact O-CD 3.28Å
438	K	64.2	Low	76.9	Confident	136 Å²	136	35.3 Å²	35.3	59%	0.591	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-21.9	177.7	-61.9	-175.5	178.8	-173.8	0	112.9	D436	D436-K438 PolarHBondContact O-N 2.75Å; D436-K438 PolarHBondContact OD1-N 3Å
439	T	66.1	Low	77	Confident	22 Å²	22	34.9 Å²	34.9	14%	0.135	19%	0.191	C	C	.	.			trans	-116.1	95.6	-175.5	-53.1	0	0	0	0	109.2	I390 H401 T434 D436 F441 D442	I390-T439 HydrophobicContact CD1-CG2 4.24Å; H401-T439 PolarHBondContact NE2-O 3.35Å; H401-T439 VanDerWaalsContact NE2-O 3.12Å; T434-T439 WeakPolarHBondContact CB-O 3.32Å; T434-T439 HydrophobicContact CG2-CG2 3.88Å; T434-T439 WeakPolarHBondContact CG2-O 3.08Å; T434-T439 PolarHBondContact OG1-O 3.39Å; D436-T439 CarbonylContact O-C 3.49Å; D436-T439 PolarHBondContact O-N 3.3Å; D436-T439 WeakPolarHBondContact OD2-CB 3.31Å; D436-T439 PolarHBondContact OD2-OG1 3.1Å; T439-F441 WeakPolarHBondContact CG2-O 3.44Å; T439-F441 PolarHBondContact O-N 3.4Å; T439-D442 HydrophobicContact CG2-CB 4.12Å
440	E	81.2	Confident	75.9	Confident	23 Å²	23	40.7 Å²	40.7	11%	0.107	24%	0.239	C	C	.	.	S	Bend	trans	-60.7	-44.3	-175.7	-175.5	162.4	-167.1	0	0	113.2	H401 Y433 T434 K557 M708	H401-E440 HydrophobicContact CB-CG 4.23Å; H401-E440 PolarHBondContact CD2-O 3.17Å; H401-E440 WeakPolarHBondContact NE2-CA 3.31Å; Y433-E440 VanDerWaalsContact CA-O 3.28Å; Y433-E440 WeakPolarHBondContact CA-O 3.31Å; Y433-E440 HydrophobicContact CD1-CG 4.29Å; Y433-E440 WeakPolarHBondContact CD1-O 3.39Å; Y433-E440 HydrophobicContact CE1-CG 4.37Å; T434-E440 PolarHBondContact N-O 2.73Å; E440-K557 IonicContact OE2-NZ 3.18Å; E440-K557 PolarHBondContact OE2-NZ 3.11Å; E440-M708 VanDerWaalsContact OE2-O 3.06Å
441	F	86.9	Confident	74.1	Confident	13 Å²	13	43.2 Å²	43.2	6%	0.057	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	158.6	174.5	79.1	-84	0	0	0	110.4	W431 C432 T439 Y443 K704 V705 M708	W431-F441 HydrophobicContact CE3-CB 3.79Å; W431-F441 HydrophobicContact CE3-CD2 4.11Å; W431-F441 HydrophobicContact CE3-CG 4.28Å; W431-F441 HydrophobicContact CZ3-CB 3.9Å; W431-F441 HydrophobicContact CZ3-CG 4.49Å; C432-F441 VanDerWaalsContact O-CA 3.31Å; C432-F441 WeakPolarHBondContact O-CA 3.46Å; C432-F441 WeakPolarHBondContact O-CB 3.32Å; T439-F441 WeakPolarHBondContact CG2-O 3.44Å; T439-F441 PolarHBondContact O-N 3.4Å; F441-Y443 HydrophobicContact CE2-CE2 4.35Å; F441-K704 HydrophobicContact CD2-CD 4.45Å; F441-K704 HydrophobicContact CE1-CG 4.27Å; F441-K704 HydrophobicContact CE2-CD 3.71Å; F441-K704 VanDerWaalsContact CE2-CE 3.49Å; F441-K704 HydrophobicContact CE2-CG 4.13Å; F441-K704 HydrophobicContact CZ-CD 3.84Å; F441-K704 HydrophobicContact CZ-CG 3.75Å; F441-V705 HydrophobicContact CE1-CG2 4.07Å; F441-V705 HydrophobicContact CZ-CG2 3.79Å; F441-M708 HydrophobicContact CB-CE 3.86Å; F441-M708 HydrophobicContact CB-SD 4.3Å; F441-M708 HydrophobicContact CD1-CB 4.21Å; F441-M708 HydrophobicContact CD1-CE 3.76Å; F441-M708 HydrophobicContact CD1-CG 4.41Å; F441-M708 HydrophobicContact CD1-SD 3.35Å; F441-M708 WeakPolarHBondContact CD1-SD 3.34Å; F441-M708 HydrophobicContact CD2-SD 4.23Å; F441-M708 HydrophobicContact CE1-CB 4.14Å; F441-M708 HydrophobicContact CE1-CG 4.36Å; F441-M708 HydrophobicContact CE1-SD 3.59Å; F441-M708 VanDerWaalsContact CE1-SD 3.59Å; F441-M708 HydrophobicContact CE2-SD 4.44Å; F441-M708 HydrophobicContact CG-CE 3.91Å; F441-M708 HydrophobicContact CG-SD 3.7Å; F441-M708 HydrophobicContact CZ-SD 4.14Å
442	D	68.6	Low	71.7	Confident	4 Å²	4	52.1 Å²	52.1	2%	0.021	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	157.5	169.7	-174.7	34.4	0	0	0	109.7	T386 R387 K388 W431 C432 T434 T439	T386-D442 VanDerWaalsContact CB-OD2 3.27Å; T386-D442 WeakPolarHBondContact CB-OD2 3.01Å; T386-D442 HydrophobicContact CG2-CB 3.68Å; T386-D442 PolarHBondContact OG1-OD2 3.27Å; R387-D442 IonicContact CZ-OD1 3.74Å; R387-D442 IonicContact NE-OD1 3.73Å; R387-D442 PolarHBondContact NE-OD1 3.45Å; R387-D442 IonicContact NE-OD2 2.75Å; R387-D442 IonicContact NH2-OD1 3.58Å; R387-D442 PolarHBondContact NH2-OD1 3.46Å; K388-D442 WeakPolarHBondContact CB-OD2 3.11Å; K388-D442 WeakPolarHBondContact CD-OD2 3.47Å; K388-D442 WeakPolarHBondContact CG-OD2 3.32Å; K388-D442 IonicContact NZ-OD1 2.91Å; W431-D442 WeakPolarHBondContact CB-O 3.28Å; C432-D442 PolarHBondContact N-O 3.21Å; C432-D442 PolarHBondContact O-N 3.02Å; C432-D442 VanDerWaalsContact O-N 3.16Å; T434-D442 HydrophobicContact CG2-CB 3.88Å; T439-D442 HydrophobicContact CG2-CB 4.12Å
443	Y	77.1	Confident	69.6	Low	3 Å²	3	58.8 Å²	58.8	1%	0.012	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	151	-179.5	-64.4	-85	0	0	0	111.3	T386 R387 D426 H428 W431 F441 P562 W701	T386-Y443 CarbonylContact C-O 3.52Å; T386-Y443 VanDerWaalsContact CA-O 3.29Å; T386-Y443 WeakPolarHBondContact CA-O 3.39Å; T386-Y443 WeakPolarHBondContact CB-O 3.46Å; R387-Y443 WeakPolarHBondContact CG-O 3.29Å; R387-Y443 PolarHBondContact N-O 2.98Å; D426-Y443 VanDerWaalsContact CG-OH 3.31Å; D426-Y443 WeakPolarHBondContact OD1-CE1 3.48Å; D426-Y443 PolarHBondContact OD1-OH 3.07Å; D426-Y443 WeakPolarHBondContact OD2-CE1 3.19Å; D426-Y443 VanDerWaalsContact OD2-CZ 3.29Å; D426-Y443 PolarHBondContact OD2-OH 3.43Å; H428-Y443 HydrophobicContact CB-CD1 3.91Å; H428-Y443 HydrophobicContact CB-CE1 3.42Å; H428-Y443 VanDerWaalsContact CB-CE1 3.42Å; H428-Y443 HydrophobicContact CB-CE2 4.3Å; W431-Y443 HydrophobicContact CB-CD1 3.91Å; W431-Y443 HydrophobicContact CB-CE1 4.34Å; W431-Y443 HydrophobicContact CB-CG 4.44Å; F441-Y443 HydrophobicContact CE2-CE2 4.35Å; Y443-P562 HydrophobicContact CE2-CG 4.02Å; Y443-W701 AromaticContact CE2-CD1 3.52Å; Y443-W701 HydrophobicContact CE2-CG 4.32Å; Y443-W701 AromaticContact CZ-CD1 3.92Å; Y443-W701 WeakPolarHBondContact OH-CB 3.32Å
444	C	77.4	Confident	67.3	Low	11 Å²	11	63.1 Å²	63.1	7%	0.074	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-86.4	150.5	-178.7	-61.5	0	0	0	0	112.9	V383 C420 P430 I446	V383-C444 HydrophobicContact CG1-CB 4.19Å; C420-C444 HydrophobicContact CB-CB 3.55Å; C420-C444 WeakPolarHBondContact CB-SG 3.1Å; C420-C444 WeakPolarHBondContact SG-CB 2.94Å; C420-C444 CovalentContact SG-SG 2Å; C420-C444 PolarHBondContact SG-SG 3.38Å; P430-C444 WeakPolarHBondContact O-CB 3.48Å; P430-C444 PolarHBondContact O-N 2.81Å; C444-I446 HydrophobicContact CB-CD1 3.55Å; C444-I446 HydrophobicContact CB-CG1 3.77Å; C444-I446 PolarHBondContact O-N 3.08Å
445	A	66.8	Low	65.5	Low	70 Å²	70	68.3 Å²	68.3	58%	0.579	39%	0.392	S	S	*	.	S	Bend	trans	-77.2	60.3	175.6	0	0	0	0	0	110.9	R387	R387-A445 HydrophobicContact CB-CB 4Å
446	I	71.2	Confident	63.8	Low	13 Å²	13	68.5 Å²	68.5	7%	0.067	39%	0.391	C	S	.	.			trans	-110.4	131.4	178.3	-51.4	163	0	0	0	105.8	D370 Y372 Y379 V383 C420 P430 C444	D370-I446 WeakPolarHBondContact O-CG2 3.39Å; Y372-I446 HydrophobicContact CD1-CB 3.92Å; Y372-I446 HydrophobicContact CD1-CG2 3.6Å; Y372-I446 HydrophobicContact CE1-CB 4.32Å; Y372-I446 HydrophobicContact CE1-CG2 4.43Å; Y372-I446 WeakPolarHBondContact CE1-O 3.46Å; Y379-I446 HydrophobicContact CD1-CD1 4.08Å; Y379-I446 HydrophobicContact CD2-CG2 4.35Å; Y379-I446 HydrophobicContact CE1-CD1 3.45Å; Y379-I446 VanDerWaalsContact CE1-CD1 3.45Å; Y379-I446 HydrophobicContact CE1-CG1 4.49Å; Y379-I446 HydrophobicContact CE2-CD1 4.33Å; Y379-I446 HydrophobicContact CE2-CG2 3.7Å; V383-I446 HydrophobicContact CB-CD1 4.13Å; V383-I446 HydrophobicContact CB-CG1 3.93Å; V383-I446 HydrophobicContact CG1-CD1 4.31Å; V383-I446 HydrophobicContact CG1-CG1 3.9Å; V383-I446 HydrophobicContact CG2-CG1 3.91Å; C420-I446 HydrophobicContact CB-CD1 3.65Å; P430-I446 HydrophobicContact CB-CD1 3.71Å; P430-I446 HydrophobicContact CG-CD1 3.84Å; C444-I446 HydrophobicContact CB-CD1 3.55Å; C444-I446 HydrophobicContact CB-CG1 3.77Å; C444-I446 PolarHBondContact O-N 3.08Å
447	K	66.3	Low	62.3	Low	124 Å²	124	71.2 Å²	71.2	54%	0.539	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	148.8	177.4	-67.6	-178.7	-179.6	175.3	0	109.6	I366 C371 Y372	I366-K447 HydrophobicContact CG2-CD 4.29Å; C371-K447 CarbonylContact C-O 3.57Å; C371-K447 WeakPolarHBondContact CA-O 3.33Å; C371-K447 WeakPolarHBondContact CB-O 3.42Å; Y372-K447 WeakPolarHBondContact CD1-O 3.46Å; Y372-K447 PolarHBondContact N-O 3.34Å
448	Q	66.9	Low	60.8	Low	85 Å²	85	75.2 Å²	75.2	40%	0.397	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	137.1	164.9	-160.2	175	14.1	0	0	108.3	Y372 E374	Y372-Q448 HydrophobicContact CD2-CG 4.32Å; Y372-Q448 HydrophobicContact CE2-CB 4.23Å; Y372-Q448 HydrophobicContact CE2-CG 4.04Å; Y372-Q448 CarbonylContact O-C 3.51Å; Y372-Q448 VanDerWaalsContact O-CA 3.25Å; Y372-Q448 WeakPolarHBondContact O-CA 3.4Å; Y372-Q448 WeakPolarHBondContact O-CG 3.48Å; E374-Q448 PolarHBondContact O-NE2 2.94Å
449	C	74.1	Confident	59.5	Low	27 Å²	27	73.3 Å²	73.3	18%	0.182	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-60.6	149.1	178.6	-57.6	0	0	0	0	110.2	C371 Y372 N373 G451	C371-C449 HydrophobicContact CB-CB 3.99Å; C371-C449 WeakPolarHBondContact CB-SG 3.23Å; C371-C449 WeakPolarHBondContact SG-CA 3.47Å; C371-C449 WeakPolarHBondContact SG-CB 3.29Å; C371-C449 CovalentContact SG-SG 2.04Å; C371-C449 PolarHBondContact SG-SG 3.46Å; Y372-C449 PolarHBondContact O-N 3.25Å; N373-C449 VanDerWaalsContact OD1-CB 3.28Å; N373-C449 WeakPolarHBondContact OD1-CB 3.36Å; N373-C449 PolarHBondContact OD1-SG 3.39Å; N373-C449 VanDerWaalsContact OD1-SG 3.39Å; C449-G451 VanDerWaalsContact C-N 3.31Å; C449-G451 PolarHBondContact O-N 3.05Å
450	A	56.7	Low	58.3	Low	122 Å²	122	78.3 Å²	78.3	100%	1.008	45%	0.449	S	S	*	.	S	Bend	trans	-69.8	87.7	179.6	0	0	0	0	0	110.4
451	G	51.1	Low	56.2	Low	56 Å²	56	84.8 Å²	84.8	58%	0.577	48%	0.479	S	S	*	.	S	Bend	trans	-172.1	126.2	178.5	0	0	0	0	0	110.4	C449	C449-G451 VanDerWaalsContact C-N 3.31Å; C449-G451 PolarHBondContact O-N 3.05Å
452	E	39.9	Very low	54.1	Low	186 Å²	186	90.3 Å²	90.3	87%	0.869	51%	0.514	S	S	*	.			trans	25.2	101.8	173.6	-63.4	-174.2	171.6	0	0	117.5	L454	E452-L454 PolarHBondContact O-N 2.76Å; E452-L454 VanDerWaalsContact O-N 3.15Å
453	K	46.3	Very low	52.8	Low	140 Å²	140	93.2 Å²	93.2	61%	0.609	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-53.1	121.3	158.6	-74.3	-177.1	170	-161.4	0	108.1	E640	K453-E640 IonicContact NZ-OE1 3.43Å; K453-E640 PolarHBondContact NZ-OE1 3.09Å; K453-E640 IonicContact NZ-OE2 3.16Å; K453-E640 PolarHBondContact NZ-OE2 3.41Å
454	L	45.4	Very low	51.1	Low	92 Å²	92	102 Å²	102	48%	0.482	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-49.7	124.1	168.5	-80.7	158.5	0	0	0	108.6	E452	E452-L454 PolarHBondContact O-N 2.76Å; E452-L454 VanDerWaalsContact O-N 3.15Å
455	P	44.4	Very low	49.8	Very low	108 Å²	108	103.8 Å²	103.8	70%	0.701	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-62.3	143.4	179.5	23.1	-30.7	0	0	0	110.3	T457	P455-T457 PolarHBondContact O-N 2.85Å
456	L	45.1	Very low	49.1	Very low	72 Å²	72	104.5 Å²	104.5	38%	0.377	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-65.1	122.5	171.6	-65	159.1	0	0	0	108	R591 I593	L456-R591 HydrophobicContact CD2-CB 4.29Å; L456-I593 HydrophobicContact CB-CD1 3.8Å; L456-I593 HydrophobicContact CD1-CD1 3.82Å; L456-I593 HydrophobicContact CG-CD1 4.26Å
457	T	40.8	Very low	49	Very low	88 Å²	88	111.5 Å²	111.5	54%	0.54	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-86.3	125.5	-176.1	-16.9	0	0	0	0	110.7	P455 T459	P455-T457 PolarHBondContact O-N 2.85Å; T457-T459 HydrophobicContact CG2-CG2 3.72Å; T457-T459 PolarHBondContact O-N 3.47Å
458	E	40.1	Very low	49.8	Very low	185 Å²	185	106.5 Å²	106.5	86%	0.864	59%	0.593	S	S	*	*			trans	-81.7	31.4	170.7	-70.3	-172.8	157.2	0	0	112.8	V460	E458-V460 PolarHBondContact O-N 2.8Å; E458-V460 VanDerWaalsContact O-N 3.15Å
459	T	36.7	Very low	50.7	Low	95 Å²	95	102.5 Å²	102.5	58%	0.583	58%	0.575	S	S	*	*			trans	-80.1	108.5	-176.9	45.1	0	0	0	0	110.8	T457 E461	T457-T459 HydrophobicContact CG2-CG2 3.72Å; T457-T459 PolarHBondContact O-N 3.47Å; T459-E461 VanDerWaalsContact C-N 3.27Å; T459-E461 PolarHBondContact O-N 3.41Å
460	V	42	Very low	51.1	Low	128 Å²	128	107.2 Å²	107.2	78%	0.776	59%	0.592	S	S	*	*			trans	-69.9	82.1	166.5	-175.6	0	0	0	0	108.4	E458	E458-V460 PolarHBondContact O-N 2.8Å; E458-V460 VanDerWaalsContact O-N 3.15Å
461	E	36.9	Very low	52.3	Low	159 Å²	159	103.7 Å²	103.7	74%	0.743	55%	0.553	S	S	*	*			trans	-88.3	116.5	156.1	-77.6	-172.5	167	0	0	107.4	T459 V463	T459-E461 VanDerWaalsContact C-N 3.27Å; T459-E461 PolarHBondContact O-N 3.41Å; E461-V463 VanDerWaalsContact C-N 3.3Å; E461-V463 PolarHBondContact O-N 2.84Å
462	T	42.2	Very low	53.2	Low	129 Å²	129	103.8 Å²	103.8	79%	0.791	54%	0.54	S	S	*	.			trans	-65.6	92	171.9	46.1	0	0	0	0	108.4	E464	T462-E464 PolarHBondContact O-N 2.84Å
463	V	42.1	Very low	54.3	Low	65 Å²	65	99.1 Å²	99.1	39%	0.394	52%	0.521	S	S	.	.			trans	-75.2	110.3	174.5	-178.1	0	0	0	0	108.1	E461 F465 P589	E461-V463 VanDerWaalsContact C-N 3.3Å; E461-V463 PolarHBondContact O-N 2.84Å; V463-F465 HydrophobicContact CB-CD2 4.28Å; V463-F465 HydrophobicContact CB-CE2 3.69Å; V463-F465 HydrophobicContact CB-CZ 3.87Å; V463-F465 HydrophobicContact CG1-CD1 4.1Å; V463-F465 HydrophobicContact CG1-CD2 4.04Å; V463-F465 HydrophobicContact CG1-CE1 3.69Å; V463-F465 HydrophobicContact CG1-CE2 3.63Å; V463-F465 HydrophobicContact CG1-CG 4.28Å; V463-F465 HydrophobicContact CG1-CZ 3.45Å; V463-F465 VanDerWaalsContact CG1-CZ 3.45Å; V463-F465 VanDerWaalsContact O-CD2 3.23Å; V463-F465 WeakPolarHBondContact O-CD2 3.37Å; V463-F465 PolarHBondContact O-N 2.93Å; V463-P589 HydrophobicContact CG2-CG 3.85Å
464	E	41.3	Very low	54.6	Low	188 Å²	188	101.8 Å²	101.8	88%	0.879	53%	0.527	S	S	*	.			trans	-73.2	107.9	170.4	-79.2	-169.9	156.7	0	0	109.6	T462 S466	T462-E464 PolarHBondContact O-N 2.84Å; E464-S466 PolarHBondContact O-N 3.34Å
465	F	48.9	Very low	54.5	Low	47 Å²	47	103.4 Å²	103.4	21%	0.206	54%	0.543	C	S	.	.			trans	-93.8	90.6	173.4	-63	-82.9	0	0	0	110.1	V463 C586 L587 C670 V672	V463-F465 HydrophobicContact CB-CD2 4.28Å; V463-F465 HydrophobicContact CB-CE2 3.69Å; V463-F465 HydrophobicContact CB-CZ 3.87Å; V463-F465 HydrophobicContact CG1-CD1 4.1Å; V463-F465 HydrophobicContact CG1-CD2 4.04Å; V463-F465 HydrophobicContact CG1-CE1 3.69Å; V463-F465 HydrophobicContact CG1-CE2 3.63Å; V463-F465 HydrophobicContact CG1-CG 4.28Å; V463-F465 HydrophobicContact CG1-CZ 3.45Å; V463-F465 VanDerWaalsContact CG1-CZ 3.45Å; V463-F465 VanDerWaalsContact O-CD2 3.23Å; V463-F465 WeakPolarHBondContact O-CD2 3.37Å; V463-F465 PolarHBondContact O-N 2.93Å; F465-C586 VanDerWaalsContact CB-SG 3.52Å; F465-C586 HydrophobicContact CD1-CB 3.89Å; F465-C586 HydrophobicContact CE1-CB 4.11Å; F465-C586 HydrophobicContact CG-CB 4.18Å; F465-L587 VanDerWaalsContact CE1-O 3.26Å; F465-L587 WeakPolarHBondContact CE1-O 3.29Å; F465-L587 WeakPolarHBondContact CZ-O 3.48Å; F465-C670 HydrophobicContact CB-CB 4.22Å; F465-C670 WeakPolarHBondContact CD2-SG 3.23Å; F465-V672 HydrophobicContact CE2-CG2 4.33Å
466	S	52.8	Low	54.3	Low	86 Å²	86	103.9 Å²	103.9	60%	0.601	54%	0.536	S	S	*	.	S	Bend	trans	-80.4	-12.8	-176.7	58.2	0	0	0	0	114.6	E464 K470	E464-S466 PolarHBondContact O-N 3.34Å; S466-K470 WeakPolarHBondContact O-CE 3.37Å; S466-K470 PolarHBondContact O-NZ 3.21Å
467	E	68.1	Low	54.2	Low	159 Å²	159	106.5 Å²	106.5	74%	0.743	56%	0.558	S	S	*	*	S	Bend	trans	-128.7	-3.2	-168.3	-63.4	-171.3	168.1	0	0	117	Q584	E467-Q584 PolarHBondContact O-NE2 2.92Å
468	C	85	Confident	54	Low	20 Å²	20	107 Å²	107	14%	0.135	56%	0.561	C	S	.	*	S	Bend	trans	-132.8	170.7	-177.2	59.1	0	0	0	0	111.5	K470 Q584 C586	C468-K470 PolarHBondContact O-N 3.38Å; C468-Q584 HydrophobicContact CB-CG 3.88Å; C468-C586 VanDerWaalsContact CA-SG 3.57Å; C468-C586 HydrophobicContact CB-CB 4.08Å; C468-C586 WeakPolarHBondContact CB-SG 3.36Å; C468-C586 PolarHBondContact O-SG 3.07Å; C468-C586 WeakPolarHBondContact SG-CA 3.46Å; C468-C586 WeakPolarHBondContact SG-CB 3.43Å; C468-C586 CovalentContact SG-SG 2.05Å; C468-C586 PolarHBondContact SG-SG 3Å
469	G	83.9	Confident	53.9	Low	1 Å²	1	110.2 Å²	110.2	1%	0.01	57%	0.565	C	S	.	*	S	Bend	trans	64.8	16.9	171.7	0	0	0	0	0	113.9	Q584 C586 W671	G469-Q584 PolarHBondContact N-O 2.91Å; G469-C586 PolarHBondContact N-SG 3.17Å; G469-C586 VanDerWaalsContact N-SG 3.42Å; G469-W671 VanDerWaalsContact CA-O 3.25Å; G469-W671 WeakPolarHBondContact CA-O 3.34Å; G469-W671 PolarHBondContact O-N 3.49Å
470	K	83.7	Confident	53.8	Low	125 Å²	125	113 Å²	113	54%	0.543	58%	0.576	S	S	.	*			trans	-87.4	123.7	178.5	-62.3	-166.9	-176.5	177.7	0	109.4	S466 C468 S583	S466-K470 WeakPolarHBondContact O-CE 3.37Å; S466-K470 PolarHBondContact O-NZ 3.21Å; C468-K470 PolarHBondContact O-N 3.38Å; K470-S583 PolarHBondContact O-OG 3.28Å
471	R	81.7	Confident	53.2	Low	49 Å²	49	118.8 Å²	118.8	19%	0.185	58%	0.583	C	S	.	*			trans	-117.4	133.4	171.8	-172.9	169.6	71.6	-175.3	3.2	108	D473 N489 P491 W492 E601 W671	R471-D473 IonicContact CZ-OD1 2.83Å; R471-D473 IonicContact NE-OD1 3.66Å; R471-D473 PolarHBondContact NE-OD1 2.03Å; R471-D473 IonicContact NE-OD2 3.61Å; R471-D473 IonicContact NH2-OD1 3.91Å; R471-D473 PolarHBondContact NH2-OD1 2.63Å; R471-D473 VanDerWaalsContact NH2-OD1 3.16Å; R471-D473 IonicContact NH2-OD2 2.86Å; R471-D473 PolarHBondContact O-N 3.28Å; R471-D473 VanDerWaalsContact O-N 3.11Å; R471-N489 WeakPolarHBondContact CD-O 3.12Å; R471-N489 WeakPolarHBondContact CG-ND2 2.99Å; R471-N489 PolarHBondContact NH1-O 2.92Å; R471-P491 HydrophobicContact CB-CG 4.39Å; R471-P491 HydrophobicContact CG-CG 4.18Å; R471-W492 HydrophobicContact CB-CH2 4.02Å; R471-W492 HydrophobicContact CB-CZ3 4.11Å; R471-E601 IonicContact CZ-OE2 3.76Å; R471-E601 IonicContact NH1-OE1 3.57Å; R471-E601 PolarHBondContact NH1-OE1 3.25Å; R471-E601 IonicContact NH1-OE2 3.49Å; R471-E601 PolarHBondContact NH1-OE2 3.14Å; R471-E601 IonicContact NH2-OE2 2.64Å; R471-W671 VanDerWaalsContact CZ-CZ2 3.48Å
472	D	70.3	Confident	53.1	Low	58 Å²	58	117.1 Å²	117.1	31%	0.31	58%	0.578	S	S	.	*			trans	-76.2	98.8	169.6	-168.8	4.7	0	0	0	108.7	R474 N489	D472-R474 VanDerWaalsContact C-N 3.27Å; D472-R474 VanDerWaalsContact OD1-CB 3.22Å; D472-R474 WeakPolarHBondContact OD1-CB 3.32Å; D472-R474 WeakPolarHBondContact OD1-CD 3.41Å; D472-R474 WeakPolarHBondContact OD1-CG 3.42Å; D472-R474 PolarHBondContact OD1-N 3.4Å; D472-R474 VanDerWaalsContact OD1-N 3.08Å; D472-R474 IonicContact OD1-NE 2.73Å; D472-N489 PolarHBondContact O-ND2 3.49Å
473	D	63	Low	52.4	Low	88 Å²	88	116.6 Å²	116.6	47%	0.471	58%	0.575	S	S	.	*			trans	-86.6	6.1	176.8	-72.2	-33.5	0	0	0	112.3	R471	R471-D473 IonicContact CZ-OD1 2.83Å; R471-D473 IonicContact NE-OD1 3.66Å; R471-D473 PolarHBondContact NE-OD1 2.03Å; R471-D473 IonicContact NE-OD2 3.61Å; R471-D473 IonicContact NH2-OD1 3.91Å; R471-D473 PolarHBondContact NH2-OD1 2.63Å; R471-D473 VanDerWaalsContact NH2-OD1 3.16Å; R471-D473 IonicContact NH2-OD2 2.86Å; R471-D473 PolarHBondContact O-N 3.28Å; R471-D473 VanDerWaalsContact O-N 3.11Å
474	R	52.9	Low	51.8	Low	196 Å²	196	121.1 Å²	121.1	74%	0.74	60%	0.596	S	S	*	*	S	Bend	trans	-59.8	128	175.3	-70.3	171.9	-169.7	-177.8	6.1	108.9	D472 Q476	D472-R474 VanDerWaalsContact C-N 3.27Å; D472-R474 VanDerWaalsContact OD1-CB 3.22Å; D472-R474 WeakPolarHBondContact OD1-CB 3.32Å; D472-R474 WeakPolarHBondContact OD1-CD 3.41Å; D472-R474 WeakPolarHBondContact OD1-CG 3.42Å; D472-R474 PolarHBondContact OD1-N 3.4Å; D472-R474 VanDerWaalsContact OD1-N 3.08Å; D472-R474 IonicContact OD1-NE 2.73Å; R474-Q476 PolarHBondContact O-N 2.73Å
475	P	43.3	Very low	51.5	Low	126 Å²	126	113.7 Å²	113.7	82%	0.818	57%	0.571	S	S	*	*			trans	-63.9	101.3	174.7	23.8	-30.3	0	0	0	108.6	P477	P475-P477 WeakPolarHBondContact O-CD 3.27Å
476	Q	40.1	Very low	51.5	Low	117 Å²	117	118.8 Å²	118.8	55%	0.547	60%	0.599	S	S	.	*			trans	-65.5	125.2	171.4	-73.2	-161	13.5	0	0	108.4	R474 T478	R474-Q476 PolarHBondContact O-N 2.73Å; Q476-T478 VanDerWaalsContact C-N 3.34Å; Q476-T478 PolarHBondContact O-N 3.12Å
477	P	42.5	Very low	51.4	Low	128 Å²	128	119.1 Å²	119.1	83%	0.831	60%	0.599	S	S	*	*			trans	-81	82.9	176.7	31.8	-30.7	0	0	0	108.9	P475	P475-P477 WeakPolarHBondContact O-CD 3.27Å
478	T	37.3	Very low	51.1	Low	98 Å²	98	111.8 Å²	111.8	60%	0.601	57%	0.566	S	S	*	*			trans	-136.3	101.9	176.3	40.7	0	0	0	0	113.4	Q476 L480	Q476-T478 VanDerWaalsContact C-N 3.34Å; Q476-T478 PolarHBondContact O-N 3.12Å; T478-L480 PolarHBondContact O-N 3Å
479	R	37.3	Very low	50.7	Low	252 Å²	252	113.5 Å²	113.5	95%	0.951	57%	0.574	S	S	*	*			trans	-5.4	51.3	142.5	-65.2	179.9	171.6	165.9	-1.6	119.7
480	L	34.2	Very low	50.9	Low	155 Å²	155	113.8 Å²	113.8	81%	0.812	58%	0.575	S	S	*	*			trans	-129.6	83.7	162.6	-72.5	169.1	0	0	0	108.7	T478 I482	T478-L480 PolarHBondContact O-N 3Å; L480-I482 PolarHBondContact O-N 3.35Å
481	R	30.2	Very low	51.2	Low	249 Å²	249	108.1 Å²	108.1	94%	0.94	55%	0.551	S	S	*	*			trans	-69.5	107.6	166.5	-83.9	-179.5	171.7	167.4	-3.3	108.1
482	I	34.5	Very low	51.8	Low	123 Å²	123	105.9 Å²	105.9	63%	0.631	54%	0.543	S	S	*	.			trans	-118.7	130.9	154.4	-56.6	-176.9	0	0	0	106.5	L480	L480-I482 PolarHBondContact O-N 3.35Å
483	V	26.8	Very low	52.9	Low	119 Å²	119	103.3 Å²	103.3	72%	0.721	53%	0.529	S	S	*	.	S	Bend	trans	-83.3	130.3	-166.8	174.8	0	0	0	0	110.4
484	N	30.9	Very low	54.5	Low	159 Å²	159	99.1 Å²	99.1	85%	0.85	51%	0.507	S	S	*	.	S	Bend	trans	79.1	11.4	166	-64.4	-14.6	0	0	0	121
485	G	34.9	Very low	56.6	Low	33 Å²	33	89.8 Å²	89.8	34%	0.34	47%	0.472	S	S	.	.			trans	-112	142.7	155.3	0	0	0	0	0	109.4	P487	G485-P487 VanDerWaalsContact O-CD 3.25Å; G485-P487 WeakPolarHBondContact O-CD 3.49Å
486	I	47.4	Very low	59.2	Low	154 Å²	154	83.8 Å²	83.8	79%	0.79	43%	0.433	S	S	*	.			trans	-86.1	106.1	162.6	-59.6	171.6	0	0	0	104.8	G488	I486-G488 PolarHBondContact O-N 2.64Å; I486-G488 VanDerWaalsContact O-N 3.07Å
487	P	51.5	Low	61.8	Low	93 Å²	93	78.5 Å²	78.5	60%	0.604	41%	0.408	S	S	*	.			trans	-58.5	117.6	177.6	-19.9	33.5	0	0	0	108.7	G485 L539	G485-P487 VanDerWaalsContact O-CD 3.25Å; G485-P487 WeakPolarHBondContact O-CD 3.49Å; P487-L539 HydrophobicContact CB-CD1 4.38Å
488	G	61.9	Low	64.2	Low	5 Å²	5	74.2 Å²	74.2	5%	0.052	38%	0.378	C	S	.	.			trans	-85.7	126.2	-173.9	0	0	0	0	0	111.7	I486 L539 L617	I486-G488 PolarHBondContact O-N 2.64Å; I486-G488 VanDerWaalsContact O-N 3.07Å; G488-L539 WeakPolarHBondContact O-CD2 2.98Å; G488-L617 PolarHBondContact N-O 3.49Å; G488-L617 WeakPolarHBondContact O-CD2 3.47Å
489	N	75.6	Confident	66.8	Low	56 Å²	56	76 Å²	76	30%	0.299	37%	0.374	S	S	.	.			trans	-87.2	111.9	170.1	-172.9	13	0	0	0	108.9	R471 D472	R471-N489 WeakPolarHBondContact CD-O 3.12Å; R471-N489 WeakPolarHBondContact CG-ND2 2.99Å; R471-N489 PolarHBondContact NH1-O 2.92Å; D472-N489 PolarHBondContact O-ND2 3.49Å
490	S	87.9	Confident	69.4	Low	7 Å²	7	72.6 Å²	72.6	5%	0.049	37%	0.366	C	S	.	.			trans	-138.7	80.4	176.1	-160.2	0	0	0	0	109.7	W492 T493	S490-W492 PolarHBondContact O-N 3.05Å; S490-W492 VanDerWaalsContact O-N 3.12Å; S490-W492 PolarHBondContact OG-NE1 3.25Å; S490-T493 VanDerWaalsContact CB-OG1 3.28Å; S490-T493 WeakPolarHBondContact CB-OG1 3Å; S490-T493 WeakPolarHBondContact O-CB 3.46Å; S490-T493 PolarHBondContact O-N 2.62Å; S490-T493 PolarHBondContact OG-OG1 3.3Å
491	P	90.3	Very high	72.1	Confident	6 Å²	6	67.1 Å²	67.1	4%	0.039	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-13.8	-166.5	26.6	-35.4	0	0	0	114.6	R471 R581 V582 S583	R471-P491 HydrophobicContact CB-CG 4.39Å; R471-P491 HydrophobicContact CG-CG 4.18Å; P491-R581 WeakPolarHBondContact CA-O 3.37Å; P491-V582 WeakPolarHBondContact O-CA 3.01Å; P491-S583 WeakPolarHBondContact CB-OG 3.35Å; P491-S583 WeakPolarHBondContact CG-OG 3.45Å; P491-S583 PolarHBondContact O-N 2.73Å
492	W	94.2	Very high	75	Confident	1 Å²	1	59.1 Å²	59.1	0%	0.004	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-7.6	173.5	46.5	73.9	0	0	0	113.5	R471 S490 S508 L509 S583 I585 A664 W671	R471-W492 HydrophobicContact CB-CH2 4.02Å; R471-W492 HydrophobicContact CB-CZ3 4.11Å; S490-W492 PolarHBondContact O-N 3.05Å; S490-W492 VanDerWaalsContact O-N 3.12Å; S490-W492 PolarHBondContact OG-NE1 3.25Å; W492-S508 CarbonylContact O-C 3.41Å; W492-S508 WeakPolarHBondContact O-CA 2.94Å; W492-L509 PolarHBondContact O-N 3.46Å; W492-S583 WeakPolarHBondContact CA-O 3.4Å; W492-S583 WeakPolarHBondContact CB-O 3.25Å; W492-I585 HydrophobicContact CB-CB 3.75Å; W492-I585 HydrophobicContact CB-CG2 4.35Å; W492-I585 HydrophobicContact CD2-CB 3.91Å; W492-I585 HydrophobicContact CD2-CD1 3.98Å; W492-I585 HydrophobicContact CD2-CG1 4.08Å; W492-I585 HydrophobicContact CE3-CB 4.3Å; W492-I585 HydrophobicContact CE3-CG1 4.49Å; W492-I585 HydrophobicContact CG-CB 3.64Å; W492-I585 HydrophobicContact CG-CD1 3.97Å; W492-I585 HydrophobicContact CG-CG1 4.17Å; W492-I585 HydrophobicContact CG-CG2 4.49Å; W492-I585 HydrophobicContact CZ2-CD1 4.5Å; W492-A664 HydrophobicContact CZ2-CB 4.31Å; W492-W671 HydrophobicContact CH2-CB 3.26Å; W492-W671 AromaticContact CH2-CD1 3.49Å; W492-W671 VanDerWaalsContact CH2-CD1 3.49Å; W492-W671 AromaticContact CH2-CD2 3.83Å; W492-W671 HydrophobicContact CH2-CD2 3.83Å; W492-W671 AromaticContact CH2-CG 3.2Å; W492-W671 HydrophobicContact CH2-CG 3.2Å; W492-W671 HydrophobicContact CZ2-CB 3.65Å; W492-W671 AromaticContact CZ2-CD2 3.94Å; W492-W671 HydrophobicContact CZ2-CD2 3.94Å; W492-W671 HydrophobicContact CZ2-CE3 4.23Å; W492-W671 AromaticContact CZ2-CG 3.7Å; W492-W671 HydrophobicContact CZ2-CG 3.7Å; W492-W671 HydrophobicContact CZ3-CB 3.8Å; W492-W671 HydrophobicContact CZ3-CG 4.08Å
493	T	94.6	Very high	77.8	Confident	4 Å²	4	53.8 Å²	53.8	3%	0.025	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	129.1	-179	-64.4	0	0	0	0	110.4	S490 A603 W605 L617 P662	S490-T493 VanDerWaalsContact CB-OG1 3.28Å; S490-T493 WeakPolarHBondContact CB-OG1 3Å; S490-T493 WeakPolarHBondContact O-CB 3.46Å; S490-T493 PolarHBondContact O-N 2.62Å; S490-T493 PolarHBondContact OG-OG1 3.3Å; T493-A603 HydrophobicContact CG2-CB 4.46Å; T493-W605 HydrophobicContact CG2-CH2 4.06Å; T493-W605 HydrophobicContact CG2-CZ3 3.74Å; T493-L617 HydrophobicContact CG2-CD1 4.1Å; T493-P662 VanDerWaalsContact OG1-CG 3.32Å; T493-P662 WeakPolarHBondContact OG1-CG 3.43Å
494	V	96.8	Very high	80.9	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	135.8	-176.5	178.1	0	0	0	0	110	L496 G506 G507 L509 V515 A534 M536	V494-L496 HydrophobicContact CG1-CD2 4.2Å; V494-G506 CarbonylContact O-C 3.57Å; V494-G506 WeakPolarHBondContact O-CA 3.02Å; V494-G507 PolarHBondContact N-O 3.12Å; V494-G507 PolarHBondContact O-N 2.86Å; V494-L509 HydrophobicContact CG2-CB 4.03Å; V494-V515 HydrophobicContact CB-CG1 3.97Å; V494-V515 HydrophobicContact CG1-CG1 4.03Å; V494-V515 HydrophobicContact CG1-CG2 4.27Å; V494-V515 HydrophobicContact CG2-CG1 4.02Å; V494-V515 HydrophobicContact CG2-CG2 4.02Å; V494-A534 HydrophobicContact CG1-CB 3.64Å; V494-M536 HydrophobicContact CG2-CE 4.45Å
495	S	96.1	Very high	83.9	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.007	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	111.3	169.8	174.4	0	0	0	0	109.5	R497 H503 M535	S495-R497 PolarHBondContact OG-NE 2.84Å; S495-R497 VanDerWaalsContact OG-NE 3.15Å; S495-R497 PolarHBondContact OG-NH2 3.08Å; S495-H503 PolarHBondContact OG-ND1 3.13Å; S495-M535 PolarHBondContact N-O 3.48Å; S495-M535 PolarHBondContact O-N 3.32Å
496	L	97.1	Very high	86.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	128.2	173.8	-61.4	178	0	0	0	109.6	V494 F504 C505 G506 S517 F522 A534 L555 L570	V494-L496 HydrophobicContact CG1-CD2 4.2Å; L496-F504 VanDerWaalsContact C-CE1 3.49Å; L496-F504 HydrophobicContact CB-CD1 4.31Å; L496-F504 HydrophobicContact CB-CE1 3.64Å; L496-F504 HydrophobicContact CB-CZ 3.8Å; L496-F504 HydrophobicContact CD1-CZ 4.49Å; L496-F504 WeakPolarHBondContact O-CD1 3.41Å; L496-F504 WeakPolarHBondContact O-CE1 3.22Å; L496-F504 PolarHBondContact O-N 3.07Å; L496-F504 VanDerWaalsContact O-N 3.12Å; L496-C505 HydrophobicContact CB-CB 4.31Å; L496-C505 WeakPolarHBondContact CB-O 3.32Å; L496-C505 HydrophobicContact CD1-CB 4.08Å; L496-C505 PolarHBondContact N-O 3.18Å; L496-G506 WeakPolarHBondContact CD1-O 3Å; L496-S517 WeakPolarHBondContact CD1-OG 3.45Å; L496-F522 HydrophobicContact CD1-CE2 4.41Å; L496-F522 HydrophobicContact CD1-CZ 4.11Å; L496-A534 HydrophobicContact CD2-CB 4.32Å; L496-L555 HydrophobicContact CD2-CD1 4.39Å; L496-L570 HydrophobicContact CD1-CD1 3.68Å; L496-L570 HydrophobicContact CD2-CD1 3.64Å; L496-L570 HydrophobicContact CG-CD1 4.34Å
497	R	95.6	Very high	89.1	Confident	5 Å²	5	34.1 Å²	34.1	2%	0.019	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	132.9	-176	-58.3	-61	-172.9	157.9	-8	111.3	S495 G501 N502 F504 Y532 S533 M535 R541 D542	S495-R497 PolarHBondContact OG-NE 2.84Å; S495-R497 VanDerWaalsContact OG-NE 3.15Å; S495-R497 PolarHBondContact OG-NH2 3.08Å; R497-G501 WeakPolarHBondContact CD-O 3.44Å; R497-G501 PolarHBondContact NH1-O 3.4Å; R497-N502 VanDerWaalsContact CA-O 3.29Å; R497-N502 WeakPolarHBondContact CA-O 3.26Å; R497-F504 VanDerWaalsContact C-CE1 3.49Å; R497-Y532 WeakPolarHBondContact O-CA 3.39Å; R497-Y532 WeakPolarHBondContact O-CD1 3.28Å; R497-S533 WeakPolarHBondContact CB-OG 3.25Å; R497-S533 PolarHBondContact N-O 3.09Å; R497-S533 PolarHBondContact O-N 2.7Å; R497-M535 HydrophobicContact CG-CB 4.2Å; R497-M535 HydrophobicContact CG-CE 4.47Å; R497-M535 PolarHBondContact NH2-SD 2.92Å; R497-R541 PolarHBondContact NH1-O 3.05Å; R497-R541 VanDerWaalsContact NH1-O 3.08Å; R497-R541 PolarHBondContact NH2-O 3.25Å; R497-D542 IonicContact NH1-OD1 2.74Å; R497-D542 PolarHBondContact NH1-OD1 3.1Å
498	D	92.5	Very high	91.3	Very high	38 Å²	38	29.7 Å²	29.7	20%	0.203	15%	0.15	C	C	.	.			trans	-74.2	178.6	173.3	75.8	4.6	0	0	0	111.2	K500 G501 N502 F504 Y532	D498-K500 PolarHBondContact O-N 2.71Å; D498-K500 VanDerWaalsContact OD1-CA 3.32Å; D498-K500 WeakPolarHBondContact OD1-CA 3.45Å; D498-K500 WeakPolarHBondContact OD1-CB 3.38Å; D498-K500 PolarHBondContact OD1-N 3.47Å; D498-G501 PolarHBondContact O-N 3.43Å; D498-G501 PolarHBondContact OD1-N 2.75Å; D498-N502 PolarHBondContact N-O 2.99Å; D498-N502 PolarHBondContact OD1-N 2.84Å; D498-N502 PolarHBondContact OD2-ND2 3.21Å; D498-F504 HydrophobicContact CB-CD1 4.01Å; D498-F504 HydrophobicContact CB-CE1 4.48Å; D498-Y532 HydrophobicContact CB-CE1 4.32Å
499	R	92.3	Very high	93	Very high	137 Å²	137	29.5 Å²	29.5	52%	0.517	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-14	179.1	-60.9	-177.5	175.9	-162.1	-5.2	114.7	D528 P530 G531 Y532	R499-D528 IonicContact CZ-OD2 3.72Å; R499-D528 PolarHBondContact NH2-O 3.03Å; R499-D528 IonicContact NH2-OD2 2.84Å; R499-D528 PolarHBondContact NH2-OD2 2.91Å; R499-P530 PolarHBondContact NE-O 3.09Å; R499-G531 WeakPolarHBondContact CA-O 3.28Å; R499-Y532 HydrophobicContact CG-CD2 4.04Å; R499-Y532 HydrophobicContact CG-CE2 3.92Å
500	K	91.8	Very high	93.9	Very high	179 Å²	179	27.2 Å²	27.2	78%	0.778	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-0.9	177.3	-61.3	177	-179.2	178.3	0	111.8	D498 N502	D498-K500 PolarHBondContact O-N 2.71Å; D498-K500 VanDerWaalsContact OD1-CA 3.32Å; D498-K500 WeakPolarHBondContact OD1-CA 3.45Å; D498-K500 WeakPolarHBondContact OD1-CB 3.38Å; D498-K500 PolarHBondContact OD1-N 3.47Å; K500-N502 WeakPolarHBondContact CB-ND2 3.28Å
501	G	90.6	Very high	94.2	Very high	41 Å²	41	28.4 Å²	28.4	42%	0.423	14%	0.142	S	C	.	.	S	Bend	trans	83	9	-176.4	0	0	0	0	0	114.3	R497 D498	R497-G501 WeakPolarHBondContact CD-O 3.44Å; R497-G501 PolarHBondContact NH1-O 3.4Å; D498-G501 PolarHBondContact O-N 3.43Å; D498-G501 PolarHBondContact OD1-N 2.75Å
502	N	92.4	Very high	94.4	Very high	81 Å²	81	30.2 Å²	30.2	43%	0.433	15%	0.153	S	C	.	.			trans	-81.6	139.5	179.8	-56.3	-55.9	0	0	0	110.9	R497 D498 K500 F504	R497-N502 VanDerWaalsContact CA-O 3.29Å; R497-N502 WeakPolarHBondContact CA-O 3.26Å; D498-N502 PolarHBondContact N-O 2.99Å; D498-N502 PolarHBondContact OD1-N 2.84Å; D498-N502 PolarHBondContact OD2-ND2 3.21Å; K500-N502 WeakPolarHBondContact CB-ND2 3.28Å; N502-F504 PolarHBondContact O-N 3.15Å
503	H	92.6	Very high	94.5	Very high	11 Å²	11	35.4 Å²	35.4	5%	0.051	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	124.2	166.9	174.9	68.9	0	0	0	110.4	S495 C505 R541 W605 K657	S495-H503 PolarHBondContact OG-ND1 3.13Å; H503-C505 VanDerWaalsContact CE1-C 3.48Å; H503-C505 PolarHBondContact CE1-O 2.91Å; H503-C505 PolarHBondContact ND1-O 3.01Å; H503-R541 HydrophobicContact CB-CG 4.04Å; H503-W605 AromaticContact CE1-CE3 3.96Å; H503-K657 PolarHBondContact NE2-O 3.49Å
504	F	91.6	Very high	94.6	Very high	45 Å²	45	35.5 Å²	35.5	20%	0.197	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	-23.8	178.5	75.2	-84.2	0	0	0	114.1	L496 R497 D498 N502 C521 F522 Y532	L496-F504 VanDerWaalsContact C-CE1 3.49Å; L496-F504 HydrophobicContact CB-CD1 4.31Å; L496-F504 HydrophobicContact CB-CE1 3.64Å; L496-F504 HydrophobicContact CB-CZ 3.8Å; L496-F504 HydrophobicContact CD1-CZ 4.49Å; L496-F504 WeakPolarHBondContact O-CD1 3.41Å; L496-F504 WeakPolarHBondContact O-CE1 3.22Å; L496-F504 PolarHBondContact O-N 3.07Å; L496-F504 VanDerWaalsContact O-N 3.12Å; R497-F504 VanDerWaalsContact C-CE1 3.49Å; D498-F504 HydrophobicContact CB-CD1 4.01Å; D498-F504 HydrophobicContact CB-CE1 4.48Å; N502-F504 PolarHBondContact O-N 3.15Å; F504-C521 HydrophobicContact CE2-CB 3.98Å; F504-C521 VanDerWaalsContact CE2-O 3.3Å; F504-C521 WeakPolarHBondContact CE2-O 3.25Å; F504-F522 HydrophobicContact CE2-CE1 4.37Å; F504-F522 AromaticContact CZ-CE1 3.95Å; F504-F522 HydrophobicContact CZ-CE1 3.95Å; F504-F522 HydrophobicContact CZ-CZ 4.19Å; F504-Y532 AromaticContact CE1-CD1 3.81Å; F504-Y532 HydrophobicContact CE1-CD1 3.81Å; F504-Y532 AromaticContact CE1-CE1 3.86Å; F504-Y532 HydrophobicContact CE1-CE1 3.86Å; F504-Y532 AromaticContact CZ-CD1 3.94Å; F504-Y532 HydrophobicContact CZ-CD1 3.94Å; F504-Y532 AromaticContact CZ-CE1 3.82Å; F504-Y532 HydrophobicContact CZ-CE1 3.82Å
505	C	93.9	Very high	94.6	Very high	4 Å²	4	35.5 Å²	35.5	3%	0.027	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	162.4	178	-95.2	0	0	0	0	112.1	L496 H503 C521 K657 Y659	L496-C505 HydrophobicContact CB-CB 4.31Å; L496-C505 WeakPolarHBondContact CB-O 3.32Å; L496-C505 HydrophobicContact CD1-CB 4.08Å; L496-C505 PolarHBondContact N-O 3.18Å; H503-C505 VanDerWaalsContact CE1-C 3.48Å; H503-C505 PolarHBondContact CE1-O 2.91Å; H503-C505 PolarHBondContact ND1-O 3.01Å; C505-C521 HydrophobicContact CB-CB 3.71Å; C505-C521 WeakPolarHBondContact CB-SG 3.19Å; C505-C521 VanDerWaalsContact SG-CA 3.56Å; C505-C521 WeakPolarHBondContact SG-CB 3.49Å; C505-C521 CovalentContact SG-SG 2.03Å; C505-C521 PolarHBondContact SG-SG 2.84Å; C505-K657 CarbonylContact C-O 3.5Å; C505-K657 WeakPolarHBondContact CA-O 3.43Å; C505-Y659 WeakPolarHBondContact CB-O 3.31Å; C505-Y659 PolarHBondContact SG-O 2.87Å
506	G	94.9	Very high	94.7	Very high	3 Å²	3	35.5 Å²	35.5	3%	0.031	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	169.8	168.5	0	0	0	0	0	113.6	V494 L496 S517 K657 Y659 G660	V494-G506 CarbonylContact O-C 3.57Å; V494-G506 WeakPolarHBondContact O-CA 3.02Å; L496-G506 WeakPolarHBondContact CD1-O 3Å; G506-S517 PolarHBondContact O-OG 3.29Å; G506-K657 PolarHBondContact N-O 3.26Å; G506-Y659 WeakPolarHBondContact CA-O 3.02Å; G506-Y659 PolarHBondContact N-O 3.29Å; G506-G660 VanDerWaalsContact C-C 3.48Å; G506-G660 CarbonylContact O-C 3.48Å; G506-G660 WeakPolarHBondContact O-CA 2.93Å
507	G	97.1	Very high	94.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	171.5	172.9	0	0	0	0	0	110.3	V494 I516 G660	V494-G507 PolarHBondContact N-O 3.12Å; V494-G507 PolarHBondContact O-N 2.86Å; G507-I516 CarbonylContact C-O 3.59Å; G507-I516 VanDerWaalsContact CA-O 3.25Å; G507-I516 WeakPolarHBondContact CA-O 3.31Å; G507-G660 VanDerWaalsContact CA-O 3.25Å; G507-G660 WeakPolarHBondContact CA-O 3.44Å
508	S	97.8	Very high	94.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	130.6	172.1	-52	0	0	0	0	110.8	W492 V510 V515 I516 P662	W492-S508 CarbonylContact O-C 3.41Å; W492-S508 WeakPolarHBondContact O-CA 2.94Å; S508-V510 PolarHBondContact O-N 3.44Å; S508-V515 CarbonylContact O-C 2.97Å; S508-V515 VanDerWaalsContact O-CA 3.32Å; S508-V515 WeakPolarHBondContact O-CA 3.46Å; S508-I516 PolarHBondContact N-O 3.34Å; S508-I516 PolarHBondContact O-N 3.38Å; S508-P662 WeakPolarHBondContact OG-CA 3.45Å; S508-P662 VanDerWaalsContact OG-CB 3.29Å; S508-P662 WeakPolarHBondContact OG-CB 3.3Å; S508-P662 WeakPolarHBondContact OG-CD 3.48Å
509	L	97	Very high	94.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	107.6	177.4	-168.2	67.8	0	0	0	109.3	W492 V494 N511 V515 M536 L572 A576 F578 V582 Q584 I585	W492-L509 PolarHBondContact O-N 3.46Å; V494-L509 HydrophobicContact CG2-CB 4.03Å; L509-N511 WeakPolarHBondContact CD1-O 3.22Å; L509-N511 WeakPolarHBondContact CG-O 3.49Å; L509-V515 HydrophobicContact CD1-CG2 3.87Å; L509-M536 HydrophobicContact CD1-CE 4.47Å; L509-M536 HydrophobicContact CD1-SD 4.36Å; L509-M536 HydrophobicContact CD2-SD 3.92Å; L509-L572 HydrophobicContact CD1-CD1 4.07Å; L509-A576 HydrophobicContact CD2-CB 4.16Å; L509-F578 HydrophobicContact CD2-CD1 4.47Å; L509-F578 HydrophobicContact CD2-CE1 3.8Å; L509-V582 HydrophobicContact CD2-CG1 3.85Å; L509-Q584 WeakPolarHBondContact O-CA 3.32Å; L509-I585 PolarHBondContact O-N 3.1Å
510	V	95.8	Very high	94.2	Very high	8 Å²	8	36.6 Å²	36.6	5%	0.048	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	-21.3	-177.7	-66.6	0	0	0	0	112.5	S508 W514 I516 M569 I585 L587 L673 M706	S508-V510 PolarHBondContact O-N 3.44Å; V510-W514 HydrophobicContact CG2-CB 3.92Å; V510-W514 WeakPolarHBondContact CG2-O 3.46Å; V510-W514 PolarHBondContact N-O 3.42Å; V510-I516 HydrophobicContact CG1-CB 4.06Å; V510-I516 HydrophobicContact CG1-CG2 3.56Å; V510-M569 HydrophobicContact CG2-CE 3.91Å; V510-M569 HydrophobicContact CG2-SD 4.1Å; V510-I585 HydrophobicContact CG1-CG2 4.25Å; V510-L587 HydrophobicContact CG1-CD2 3.99Å; V510-L673 HydrophobicContact CG1-CD2 4.14Å; V510-M706 HydrophobicContact CG2-SD 4Å
511	N	93.2	Very high	93.9	Very high	32 Å²	32	29 Å²	29	17%	0.171	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	178.1	166.6	81.9	12.8	0	0	0	110	L509 R513 W514 M706	L509-N511 WeakPolarHBondContact CD1-O 3.22Å; L509-N511 WeakPolarHBondContact CG-O 3.49Å; N511-R513 PolarHBondContact O-N 3.4Å; N511-R513 WeakPolarHBondContact OD1-CA 3.07Å; N511-R513 PolarHBondContact OD1-N 3.47Å; N511-W514 PolarHBondContact N-O 2.92Å; N511-W514 PolarHBondContact O-N 3.03Å; N511-W514 VanDerWaalsContact OD1-CB 3.29Å; N511-W514 WeakPolarHBondContact OD1-CB 3.49Å; N511-W514 VanDerWaalsContact OD1-CD1 3.26Å; N511-W514 PolarHBondContact OD1-N 3.03Å; N511-M706 HydrophobicContact CB-SD 3.99Å; N511-M706 WeakPolarHBondContact ND2-CG 3.32Å; N511-M706 PolarHBondContact ND2-SD 3.05Å
512	P	94.2	Very high	93.7	Very high	44 Å²	44	27.8 Å²	27.8	29%	0.286	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-21.9	-177.2	-23.3	30.6	0	0	0	115.5	P575 A576 F578	P512-P575 HydrophobicContact CB-CB 3.91Å; P512-P575 CarbonylContact O-C 3.24Å; P512-P575 VanDerWaalsContact O-CA 3.25Å; P512-P575 WeakPolarHBondContact O-CA 3.36Å; P512-A576 PolarHBondContact O-N 3.41Å; P512-F578 HydrophobicContact CB-CE1 4.37Å; P512-F578 HydrophobicContact CB-CZ 4.11Å; P512-F578 HydrophobicContact CG-CE1 4.18Å; P512-F578 HydrophobicContact CG-CE2 3.77Å; P512-F578 HydrophobicContact CG-CZ 3.46Å; P512-F578 VanDerWaalsContact CG-CZ 3.46Å
513	R	96.1	Very high	92.8	Very high	110 Å²	110	29.5 Å²	29.5	42%	0.415	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-5.3	-175.8	-71.3	-171.6	179.7	-96	6.6	114.3	N511 Q571 L572 E573 P575	N511-R513 PolarHBondContact O-N 3.4Å; N511-R513 WeakPolarHBondContact OD1-CA 3.07Å; N511-R513 PolarHBondContact OD1-N 3.47Å; R513-Q571 WeakPolarHBondContact O-CA 3.21Å; R513-L572 PolarHBondContact O-N 3.19Å; R513-E573 PolarHBondContact NH1-O 2.89Å; R513-P575 HydrophobicContact CG-CB 3.88Å
514	W	97.1	Very high	91.9	Very high	7 Å²	7	31 Å²	31	3%	0.027	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	129.4	-168.4	-72.2	93.7	0	0	0	112.5	V510 N511 K557 V559 M569 L570 Q571 V705 M706 A709	V510-W514 HydrophobicContact CG2-CB 3.92Å; V510-W514 WeakPolarHBondContact CG2-O 3.46Å; V510-W514 PolarHBondContact N-O 3.42Å; N511-W514 PolarHBondContact N-O 2.92Å; N511-W514 PolarHBondContact O-N 3.03Å; N511-W514 VanDerWaalsContact OD1-CB 3.29Å; N511-W514 WeakPolarHBondContact OD1-CB 3.49Å; N511-W514 VanDerWaalsContact OD1-CD1 3.26Å; N511-W514 PolarHBondContact OD1-N 3.03Å; W514-K557 HydrophobicContact CH2-CD 4.48Å; W514-V559 HydrophobicContact CH2-CG2 4.02Å; W514-V559 HydrophobicContact CZ3-CG2 4.12Å; W514-M569 HydrophobicContact CB-CE 3.69Å; W514-M569 HydrophobicContact CD2-CE 3.93Å; W514-M569 HydrophobicContact CE3-CB 3.8Å; W514-M569 HydrophobicContact CE3-CE 3.8Å; W514-M569 HydrophobicContact CG-CE 3.92Å; W514-M569 HydrophobicContact CZ3-CB 3.84Å; W514-L570 WeakPolarHBondContact CA-O 3.3Å; W514-Q571 HydrophobicContact CD2-CB 4.5Å; W514-Q571 HydrophobicContact CE3-CB 4.2Å; W514-Q571 HydrophobicContact CH2-CB 3.56Å; W514-Q571 HydrophobicContact CH2-CG 3.94Å; W514-Q571 HydrophobicContact CZ2-CB 3.8Å; W514-Q571 HydrophobicContact CZ2-CG 3.62Å; W514-Q571 HydrophobicContact CZ3-CB 3.77Å; W514-Q571 HydrophobicContact CZ3-CG 4.48Å; W514-V705 HydrophobicContact CD2-CG1 4.49Å; W514-V705 HydrophobicContact CE3-CG1 4.11Å; W514-V705 HydrophobicContact CH2-CG1 3.78Å; W514-V705 HydrophobicContact CZ2-CG1 4.24Å; W514-V705 HydrophobicContact CZ3-CG1 3.71Å; W514-M706 HydrophobicContact CB-CG 4.27Å; W514-M706 HydrophobicContact CG-CG 3.99Å; W514-A709 HydrophobicContact CH2-CB 4.05Å; W514-A709 HydrophobicContact CZ2-CB 3.28Å
515	V	98	Very high	91	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	126.6	173.8	179.7	0	0	0	0	108.5	V494 S508 L509 A534 L570 L572	V494-V515 HydrophobicContact CB-CG1 3.97Å; V494-V515 HydrophobicContact CG1-CG1 4.03Å; V494-V515 HydrophobicContact CG1-CG2 4.27Å; V494-V515 HydrophobicContact CG2-CG1 4.02Å; V494-V515 HydrophobicContact CG2-CG2 4.02Å; S508-V515 CarbonylContact O-C 2.97Å; S508-V515 VanDerWaalsContact O-CA 3.32Å; S508-V515 WeakPolarHBondContact O-CA 3.46Å; L509-V515 HydrophobicContact CD1-CG2 3.87Å; V515-A534 HydrophobicContact CG2-CB 4.43Å; V515-L570 HydrophobicContact CB-CB 4.35Å; V515-L570 PolarHBondContact N-O 2.63Å; V515-L570 PolarHBondContact O-N 3.33Å; V515-L572 HydrophobicContact CG2-CD1 4.34Å; V515-L572 HydrophobicContact CG2-CD2 3.97Å; V515-L572 HydrophobicContact CG2-CG 4.31Å
516	I	97.6	Very high	89.8	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	140.8	170	-165.2	171.8	0	0	0	109.8	G507 S508 V510 L567 V568 M569 L673 V676 I702	G507-I516 CarbonylContact C-O 3.59Å; G507-I516 VanDerWaalsContact CA-O 3.25Å; G507-I516 WeakPolarHBondContact CA-O 3.31Å; S508-I516 PolarHBondContact N-O 3.34Å; S508-I516 PolarHBondContact O-N 3.38Å; V510-I516 HydrophobicContact CG1-CB 4.06Å; V510-I516 HydrophobicContact CG1-CG2 3.56Å; I516-L567 HydrophobicContact CD1-CD1 4.42Å; I516-L567 HydrophobicContact CD1-CD2 4.07Å; I516-L567 HydrophobicContact CG1-CD2 4.2Å; I516-V568 WeakPolarHBondContact CA-O 3.5Å; I516-M569 HydrophobicContact CB-SD 3.83Å; I516-M569 HydrophobicContact CD1-SD 4.48Å; I516-M569 HydrophobicContact CG1-SD 4.07Å; I516-L673 HydrophobicContact CG2-CD2 3.51Å; I516-V676 HydrophobicContact CD1-CG2 4.33Å; I516-V676 HydrophobicContact CG1-CG2 4.47Å; I516-I702 HydrophobicContact CD1-CD1 3.53Å; I516-I702 HydrophobicContact CD1-CG1 3.99Å
517	S	96.6	Very high	88.9	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	-165.3	177.6	-173.3	0	0	0	0	109.5	L496 G506 V568 G660	L496-S517 WeakPolarHBondContact CD1-OG 3.45Å; G506-S517 PolarHBondContact O-OG 3.29Å; S517-V568 PolarHBondContact N-O 3.28Å; S517-V568 PolarHBondContact O-N 2.86Å; S517-G660 WeakPolarHBondContact OG-CA 3.3Å
518	T	93.3	Very high	88.1	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	144.6	177.8	-178.2	0	0	0	0	112.8	Q520 C521 Q566	T518-Q520 HydrophobicContact CG2-CB 4.09Å; T518-Q520 PolarHBondContact O-N 3.28Å; T518-Q520 PolarHBondContact OG1-N 3.39Å; T518-C521 WeakPolarHBondContact CG2-SG 3.44Å; T518-C521 WeakPolarHBondContact O-CB 3.18Å; T518-C521 PolarHBondContact O-N 3.34Å; T518-C521 VanDerWaalsContact O-N 3.17Å; T518-Q566 CarbonylContact C-O 3.52Å; T518-Q566 VanDerWaalsContact CA-O 3.25Å; T518-Q566 WeakPolarHBondContact CA-O 3.5Å; T518-Q566 PolarHBondContact OG1-O 2.84Å
519	K	88.9	Confident	87.6	Confident	101 Å²	101	41.1 Å²	41.1	44%	0.439	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-57.6	-28.7	174	-177.3	-177.8	172.6	-174.2	0	112.1	C521 F522 Q566 V568	K519-C521 PolarHBondContact O-N 2.86Å; K519-C521 VanDerWaalsContact O-N 3.17Å; K519-F522 PolarHBondContact O-N 3.38Å; K519-Q566 PolarHBondContact N-O 3.36Å; K519-V568 HydrophobicContact CB-CG1 3.78Å; K519-V568 HydrophobicContact CG-CG1 4.39Å
520	Q	87.3	Confident	87.2	Confident	103 Å²	103	45 Å²	45	48%	0.481	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-61.7	-21.9	-179.9	-63.6	-108.3	7.1	0	0	112.8	T518 F522 P679	T518-Q520 HydrophobicContact CG2-CB 4.09Å; T518-Q520 PolarHBondContact O-N 3.28Å; T518-Q520 PolarHBondContact OG1-N 3.39Å; Q520-F522 PolarHBondContact O-N 3.45Å; Q520-P679 HydrophobicContact CB-CG 3.77Å; Q520-P679 HydrophobicContact CG-CG 3.95Å
521	C	87.2	Confident	87	Confident	19 Å²	19	47.2 Å²	47.2	13%	0.128	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-70.5	-17.4	175.3	-68	0	0	0	0	113.4	F504 C505 T518 K519 Y659	F504-C521 HydrophobicContact CE2-CB 3.98Å; F504-C521 VanDerWaalsContact CE2-O 3.3Å; F504-C521 WeakPolarHBondContact CE2-O 3.25Å; C505-C521 HydrophobicContact CB-CB 3.71Å; C505-C521 WeakPolarHBondContact CB-SG 3.19Å; C505-C521 VanDerWaalsContact SG-CA 3.56Å; C505-C521 WeakPolarHBondContact SG-CB 3.49Å; C505-C521 CovalentContact SG-SG 2.03Å; C505-C521 PolarHBondContact SG-SG 2.84Å; T518-C521 WeakPolarHBondContact CG2-SG 3.44Å; T518-C521 WeakPolarHBondContact O-CB 3.18Å; T518-C521 PolarHBondContact O-N 3.34Å; T518-C521 VanDerWaalsContact O-N 3.17Å; K519-C521 PolarHBondContact O-N 2.86Å; K519-C521 VanDerWaalsContact O-N 3.17Å; C521-Y659 PolarHBondContact SG-O 3.07Å
522	F	85.1	Confident	87.1	Confident	16 Å²	16	47.9 Å²	47.9	7%	0.07	26%	0.263	C	S	.	.	S	Bend	trans	-122.3	143.4	-173.2	-58.4	-83.2	0	0	0	110.8	L496 F504 K519 Q520 S524 V527 I558 V568 L570	L496-F522 HydrophobicContact CD1-CE2 4.41Å; L496-F522 HydrophobicContact CD1-CZ 4.11Å; F504-F522 HydrophobicContact CE2-CE1 4.37Å; F504-F522 AromaticContact CZ-CE1 3.95Å; F504-F522 HydrophobicContact CZ-CE1 3.95Å; F504-F522 HydrophobicContact CZ-CZ 4.19Å; K519-F522 PolarHBondContact O-N 3.38Å; Q520-F522 PolarHBondContact O-N 3.45Å; F522-S524 PolarHBondContact O-N 3.07Å; F522-V527 HydrophobicContact CB-CG1 4.37Å; F522-V527 HydrophobicContact CD1-CG1 3.93Å; F522-V527 HydrophobicContact CG-CG1 4.44Å; F522-I558 HydrophobicContact CB-CD1 4.32Å; F522-I558 HydrophobicContact CD1-CD1 4.22Å; F522-I558 HydrophobicContact CD2-CD1 3.77Å; F522-I558 HydrophobicContact CE2-CD1 4.11Å; F522-I558 HydrophobicContact CG-CD1 3.83Å; F522-I558 HydrophobicContact CZ-CD1 4.45Å; F522-V568 HydrophobicContact CD2-CG2 4.16Å; F522-V568 HydrophobicContact CE2-CG2 3.88Å; F522-L570 HydrophobicContact CE2-CD1 4.08Å; F522-L570 HydrophobicContact CE2-CD2 3.98Å; F522-L570 HydrophobicContact CZ-CD1 3.77Å; F522-L570 HydrophobicContact CZ-CD2 3.75Å; F522-L570 HydrophobicContact CZ-CG 4.4Å
523	S	73.6	Confident	87.2	Confident	116 Å²	116	46.7 Å²	46.7	81%	0.811	26%	0.256	S	S	*	.	S	Bend	trans	-63.5	-31.4	178.3	58.6	0	0	0	0	112.8
524	S	74.2	Confident	87.3	Confident	43 Å²	43	41.5 Å²	41.5	30%	0.301	24%	0.236	S	C	.	.			trans	-160.7	169.5	174.5	76.7	0	0	0	0	111.7	F522 Y526 V527	F522-S524 PolarHBondContact O-N 3.07Å; S524-Y526 PolarHBondContact O-N 3.17Å; S524-Y526 PolarHBondContact OG-N 3.1Å; S524-Y526 VanDerWaalsContact OG-N 3.14Å; S524-V527 PolarHBondContact O-N 3.47Å; S524-V527 PolarHBondContact OG-N 2.79Å
525	C	71.4	Confident	87.3	Confident	24 Å²	24	42.3 Å²	42.3	16%	0.162	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-4.5	171.7	-59.4	0	0	0	0	113.8	C560	C525-C560 HydrophobicContact CB-CB 3.96Å; C525-C560 WeakPolarHBondContact CB-SG 3.26Å; C525-C560 WeakPolarHBondContact SG-CB 3.1Å; C525-C560 CovalentContact SG-SG 2.02Å; C525-C560 PolarHBondContact SG-SG 3.26Å
526	Y	69.9	Low	87.1	Confident	121 Å²	121	42.3 Å²	42.3	48%	0.475	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	14.6	179.9	-56.8	-78.4	0	0	0	111.8	S524 D528	S524-Y526 PolarHBondContact O-N 3.17Å; S524-Y526 PolarHBondContact OG-N 3.1Å; S524-Y526 VanDerWaalsContact OG-N 3.14Å; Y526-D528 PolarHBondContact O-N 3.35Å
527	V	75.2	Confident	86.7	Confident	24 Å²	24	42.6 Å²	42.6	15%	0.145	24%	0.243	C	C	.	.			trans	-54.9	135	177	67.5	0	0	0	0	109.6	F522 S524 L529 Y532 I558	F522-V527 HydrophobicContact CB-CG1 4.37Å; F522-V527 HydrophobicContact CD1-CG1 3.93Å; F522-V527 HydrophobicContact CG-CG1 4.44Å; S524-V527 PolarHBondContact O-N 3.47Å; S524-V527 PolarHBondContact OG-N 2.79Å; V527-L529 HydrophobicContact CG1-CD2 3.96Å; V527-L529 PolarHBondContact O-N 2.97Å; V527-Y532 HydrophobicContact CG2-CE2 4.42Å; V527-I558 HydrophobicContact CG1-CD1 4.26Å; V527-I558 HydrophobicContact CG1-CG2 4.39Å
528	D	80.1	Confident	86.2	Confident	85 Å²	85	43.2 Å²	43.2	46%	0.455	25%	0.247	S	C	.	.			trans	-74.7	109.7	175.5	-175.9	47.2	0	0	0	108.7	R499 Y526 P530	R499-D528 IonicContact CZ-OD2 3.72Å; R499-D528 PolarHBondContact NH2-O 3.03Å; R499-D528 IonicContact NH2-OD2 2.84Å; R499-D528 PolarHBondContact NH2-OD2 2.91Å; Y526-D528 PolarHBondContact O-N 3.35Å; D528-P530 VanDerWaalsContact CG-CD 3.46Å; D528-P530 WeakPolarHBondContact OD1-CD 3.04Å
529	L	87.3	Confident	85.8	Confident	11 Å²	11	46.4 Å²	46.4	6%	0.058	26%	0.264	C	S	.	.			trans	-75.9	-18.2	-174.7	-67.4	175.3	0	0	0	117.2	V527 G531 Y532 L555 I558	V527-L529 HydrophobicContact CG1-CD2 3.96Å; V527-L529 PolarHBondContact O-N 2.97Å; L529-G531 PolarHBondContact O-N 3.06Å; L529-Y532 WeakPolarHBondContact O-CB 3.07Å; L529-Y532 PolarHBondContact O-N 3.09Å; L529-L555 HydrophobicContact CB-CB 4.5Å; L529-L555 HydrophobicContact CD1-CB 4.35Å; L529-L555 HydrophobicContact CD2-CB 4.38Å; L529-I558 HydrophobicContact CD1-CB 4Å; L529-I558 HydrophobicContact CD1-CG2 4.02Å; L529-I558 HydrophobicContact CG-CG2 4.37Å
530	P	90.1	Very high	85.7	Confident	82 Å²	82	45.9 Å²	45.9	53%	0.532	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	126.6	174	-30.5	37.2	0	0	0	112.7	R499 D528	R499-P530 PolarHBondContact NE-O 3.09Å; D528-P530 VanDerWaalsContact CG-CD 3.46Å; D528-P530 WeakPolarHBondContact OD1-CD 3.04Å
531	G	89.9	Confident	85.7	Confident	54 Å²	54	43.5 Å²	43.5	56%	0.557	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.5	-11.6	-176.8	0	0	0	0	0	115.5	R499 L529	R499-G531 WeakPolarHBondContact CA-O 3.28Å; L529-G531 PolarHBondContact O-N 3.06Å
532	Y	95.9	Very high	85.8	Confident	46 Å²	46	46.7 Å²	46.7	18%	0.18	26%	0.264	C	S	.	.			trans	-81.7	146	169.2	-73.6	-97.4	0	0	0	111	R497 D498 R499 F504 V527 L529 L555	R497-Y532 WeakPolarHBondContact O-CA 3.39Å; R497-Y532 WeakPolarHBondContact O-CD1 3.28Å; D498-Y532 HydrophobicContact CB-CE1 4.32Å; R499-Y532 HydrophobicContact CG-CD2 4.04Å; R499-Y532 HydrophobicContact CG-CE2 3.92Å; F504-Y532 AromaticContact CE1-CD1 3.81Å; F504-Y532 HydrophobicContact CE1-CD1 3.81Å; F504-Y532 AromaticContact CE1-CE1 3.86Å; F504-Y532 HydrophobicContact CE1-CE1 3.86Å; F504-Y532 AromaticContact CZ-CD1 3.94Å; F504-Y532 HydrophobicContact CZ-CD1 3.94Å; F504-Y532 AromaticContact CZ-CE1 3.82Å; F504-Y532 HydrophobicContact CZ-CE1 3.82Å; V527-Y532 HydrophobicContact CG2-CE2 4.42Å; L529-Y532 WeakPolarHBondContact O-CB 3.07Å; L529-Y532 PolarHBondContact O-N 3.09Å; Y532-L555 PolarHBondContact O-N 2.99Å
533	S	97.3	Very high	85.9	Confident	19 Å²	19	47.3 Å²	47.3	13%	0.133	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	159	177.3	62.6	0	0	0	0	112.7	R497 T552 I553	R497-S533 WeakPolarHBondContact CB-OG 3.25Å; R497-S533 PolarHBondContact N-O 3.09Å; R497-S533 PolarHBondContact O-N 2.7Å; S533-T552 WeakPolarHBondContact OG-CG2 3.28Å; S533-I553 CarbonylContact C-O 3.3Å; S533-I553 VanDerWaalsContact CA-O 3.3Å; S533-I553 WeakPolarHBondContact CA-O 3.27Å; S533-I553 WeakPolarHBondContact CB-O 3.39Å
534	A	97.6	Very high	86.5	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	123.3	170.3	0	0	0	0	0	109	V494 L496 V515 M536 T552 I553 L555 L572	V494-A534 HydrophobicContact CG1-CB 3.64Å; L496-A534 HydrophobicContact CD2-CB 4.32Å; V515-A534 HydrophobicContact CG2-CB 4.43Å; A534-M536 HydrophobicContact CB-CE 4.15Å; A534-T552 WeakPolarHBondContact O-CA 3.29Å; A534-I553 PolarHBondContact N-O 3.29Å; A534-I553 PolarHBondContact O-N 2.78Å; A534-L555 HydrophobicContact CB-CD2 3.99Å; A534-L572 HydrophobicContact CB-CD2 3.58Å
535	M	96.1	Very high	86.8	Confident	24 Å²	24	57.7 Å²	57.7	12%	0.118	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	135.7	175.6	-174.2	-174.2	-69.1	0	0	110.7	S495 R497 T538 P543 V550 Q551 T552	S495-M535 PolarHBondContact N-O 3.48Å; S495-M535 PolarHBondContact O-N 3.32Å; R497-M535 HydrophobicContact CG-CB 4.2Å; R497-M535 HydrophobicContact CG-CE 4.47Å; R497-M535 PolarHBondContact NH2-SD 2.92Å; M535-T538 HydrophobicContact SD-CG2 4.24Å; M535-P543 HydrophobicContact CE-CG 4.22Å; M535-P543 HydrophobicContact SD-CG 3.59Å; M535-P543 VanDerWaalsContact SD-CG 3.59Å; M535-V550 HydrophobicContact CG-CG1 3.88Å; M535-V550 HydrophobicContact SD-CG1 4.12Å; M535-Q551 CarbonylContact C-O 3.59Å; M535-Q551 VanDerWaalsContact CA-O 3.26Å; M535-Q551 WeakPolarHBondContact CA-O 3.47Å; M535-T552 WeakPolarHBondContact CE-OG1 3.19Å
536	M	93.9	Very high	87.1	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.005	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	165	-179	61.7	-160	79.1	0	0	111.1	V494 L509 A534 V550 Q551 I553 L572 A576 V582	V494-M536 HydrophobicContact CG2-CE 4.45Å; L509-M536 HydrophobicContact CD1-CE 4.47Å; L509-M536 HydrophobicContact CD1-SD 4.36Å; L509-M536 HydrophobicContact CD2-SD 3.92Å; A534-M536 HydrophobicContact CB-CE 4.15Å; M536-V550 WeakPolarHBondContact O-CA 3.33Å; M536-Q551 HydrophobicContact CG-CB 3.89Å; M536-Q551 PolarHBondContact N-O 3.05Å; M536-Q551 PolarHBondContact O-N 3Å; M536-I553 HydrophobicContact CE-CD1 4.46Å; M536-L572 HydrophobicContact CE-CD1 4.06Å; M536-A576 HydrophobicContact CE-CB 4.44Å; M536-A576 HydrophobicContact SD-CB 3.62Å; M536-V582 HydrophobicContact CB-CG2 4.35Å; M536-V582 HydrophobicContact CG-CG1 3.89Å; M536-V582 HydrophobicContact CG-CG2 3.93Å; M536-V582 HydrophobicContact SD-CG1 3.67Å
537	G	89.1	Confident	87.7	Confident	6 Å²	6	56.2 Å²	56.2	6%	0.062	32%	0.316	C	S	.	.	S	Bend	trans	84.1	15.6	176.1	0	0	0	0	0	115.8	R581 V582	G537-R581 WeakPolarHBondContact O-CD 3.33Å; G537-V582 VanDerWaalsContact CA-CG2 3.42Å
538	T	87.1	Confident	87.9	Confident	12 Å²	12	59.9 Å²	59.9	7%	0.074	34%	0.34	C	S	.	.			trans	-126.6	154.1	174.7	-173.1	0	0	0	0	111.1	M535 F540 P543 E547	M535-T538 HydrophobicContact SD-CG2 4.24Å; T538-F540 VanDerWaalsContact CG2-O 3.3Å; T538-F540 WeakPolarHBondContact CG2-O 3.41Å; T538-F540 PolarHBondContact OG1-N 3Å; T538-P543 HydrophobicContact CG2-CB 4.48Å; T538-P543 HydrophobicContact CG2-CG 4.16Å; T538-E547 PolarHBondContact OG1-OE1 3.5Å; T538-E547 PolarHBondContact OG1-OE2 2.78Å
539	L	84.6	Confident	87.9	Confident	68 Å²	68	57.3 Å²	57.3	36%	0.356	33%	0.334	S	S	.	.	S	Bend	trans	-91.3	-18.5	166.3	-62.4	179.7	0	0	0	111.9	P487 G488 W605 V616 L617	P487-L539 HydrophobicContact CB-CD1 4.38Å; G488-L539 WeakPolarHBondContact O-CD2 2.98Å; L539-W605 PolarHBondContact O-NE1 2.87Å; L539-V616 CarbonylContact O-C 3.46Å; L539-V616 VanDerWaalsContact O-CA 3.27Å; L539-V616 WeakPolarHBondContact O-CA 3.36Å; L539-L617 HydrophobicContact CD2-CB 4.41Å; L539-L617 HydrophobicContact CD2-CD2 4.27Å; L539-L617 PolarHBondContact O-N 3.35Å
540	F	86.8	Confident	88.1	Confident	89 Å²	89	58.7 Å²	58.7	39%	0.39	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-87.7	138.7	-174.6	-62	-76.5	0	0	0	111.2	T538 D542 P543 E547 T615 V616	T538-F540 VanDerWaalsContact CG2-O 3.3Å; T538-F540 WeakPolarHBondContact CG2-O 3.41Å; T538-F540 PolarHBondContact OG1-N 3Å; F540-D542 PolarHBondContact O-N 2.95Å; F540-P543 HydrophobicContact CB-CB 4.33Å; F540-E547 WeakPolarHBondContact CD2-OE2 3.27Å; F540-T615 CarbonylContact C-O 3.56Å; F540-T615 WeakPolarHBondContact CA-O 2.99Å; F540-V616 HydrophobicContact CD1-CG1 3.85Å; F540-V616 HydrophobicContact CE1-CG1 3.94Å
541	R	87.2	Confident	88.3	Confident	54 Å²	54	56.2 Å²	56.2	20%	0.204	32%	0.324	C	S	.	.	S	Bend	trans	-62.5	-34.8	173	-170.4	-174.1	70.5	-157.8	-2.6	110.6	R497 H503 W605 E614 T615	R497-R541 PolarHBondContact NH1-O 3.05Å; R497-R541 VanDerWaalsContact NH1-O 3.08Å; R497-R541 PolarHBondContact NH2-O 3.25Å; H503-R541 HydrophobicContact CB-CG 4.04Å; R541-W605 HydrophobicContact CB-CB 4.1Å; R541-W605 HydrophobicContact CB-CG 3.96Å; R541-W605 HydrophobicContact CG-CB 3.82Å; R541-W605 HydrophobicContact CG-CG 4.08Å; R541-E614 WeakPolarHBondContact CD-O 2.97Å; R541-E614 PolarHBondContact NH1-O 3.01Å; R541-T615 PolarHBondContact N-O 2.89Å
542	D	89.3	Confident	88.5	Confident	85 Å²	85	56.5 Å²	56.5	46%	0.455	32%	0.315	S	S	.	.	S	Bend	trans	-135.1	81.9	179.8	-61.3	-56.1	0	0	0	108.2	R497 F540	R497-D542 IonicContact NH1-OD1 2.74Å; R497-D542 PolarHBondContact NH1-OD1 3.1Å; F540-D542 PolarHBondContact O-N 2.95Å
543	P	87.8	Confident	88.6	Confident	29 Å²	29	54.3 Å²	54.3	19%	0.188	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-67.9	153.1	-174.8	28.9	-36	0	0	0	112.1	M535 T538 F540 E547 V550	M535-P543 HydrophobicContact CE-CG 4.22Å; M535-P543 HydrophobicContact SD-CG 3.59Å; M535-P543 VanDerWaalsContact SD-CG 3.59Å; T538-P543 HydrophobicContact CG2-CB 4.48Å; T538-P543 HydrophobicContact CG2-CG 4.16Å; F540-P543 HydrophobicContact CB-CB 4.33Å; P543-E547 HydrophobicContact CB-CB 4.36Å; P543-E547 WeakPolarHBondContact CB-OE2 3.38Å; P543-V550 HydrophobicContact CB-CG2 4.44Å; P543-V550 HydrophobicContact CG-CG1 4.35Å
544	Q	85.3	Confident	88.6	Confident	171 Å²	171	55.6 Å²	55.6	80%	0.799	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-71.2	150.4	173.8	-68.6	-166.4	-8	0	0	111.3	G546 E547	Q544-G546 PolarHBondContact O-N 2.79Å; Q544-E547 WeakPolarHBondContact O-CB 3.13Å; Q544-E547 PolarHBondContact O-N 3.28Å; Q544-E547 VanDerWaalsContact O-N 3.13Å
545	E	81.8	Confident	88.5	Confident	206 Å²	206	56 Å²	56	96%	0.963	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	126.7	178.1	-167.2	174.5	-172.4	0	0	110.6
546	G	77.6	Confident	88.3	Confident	75 Å²	75	58.3 Å²	58.3	77%	0.773	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	10.5	-178	0	0	0	0	0	115.7	Q544 P548	Q544-G546 PolarHBondContact O-N 2.79Å; G546-P548 WeakPolarHBondContact O-CD 3.23Å
547	E	82.8	Confident	88	Confident	39 Å²	39	60.2 Å²	60.2	18%	0.182	34%	0.34	C	S	.	.			trans	-55	125.1	172.2	-176.8	-179.7	145.9	0	0	111	T538 F540 P543 Q544 G549 V550	T538-E547 PolarHBondContact OG1-OE1 3.5Å; T538-E547 PolarHBondContact OG1-OE2 2.78Å; F540-E547 WeakPolarHBondContact CD2-OE2 3.27Å; P543-E547 HydrophobicContact CB-CB 4.36Å; P543-E547 WeakPolarHBondContact CB-OE2 3.38Å; Q544-E547 WeakPolarHBondContact O-CB 3.13Å; Q544-E547 PolarHBondContact O-N 3.28Å; Q544-E547 VanDerWaalsContact O-N 3.13Å; E547-G549 PolarHBondContact O-N 3.16Å; E547-V550 HydrophobicContact CB-CG2 3.67Å; E547-V550 HydrophobicContact CG-CG2 3.73Å; E547-V550 WeakPolarHBondContact O-CG2 3.25Å; E547-V550 PolarHBondContact O-N 3.06Å
548	P	77.8	Confident	88	Confident	101 Å²	101	60.9 Å²	60.9	66%	0.656	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	135.3	-178	-24.8	34	0	0	0	112.9	G546 V550 R581	G546-P548 WeakPolarHBondContact O-CD 3.23Å; P548-V550 VanDerWaalsContact C-N 3.31Å; P548-V550 PolarHBondContact O-N 2.92Å; P548-R581 PolarHBondContact O-NH1 3.47Å
549	G	80.6	Confident	88.1	Confident	31 Å²	31	61.4 Å²	61.4	32%	0.32	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	-9	175.7	0	0	0	0	0	115.1	E547	E547-G549 PolarHBondContact O-N 3.16Å
550	V	91	Very high	88.1	Confident	40 Å²	40	58.6 Å²	58.6	24%	0.242	33%	0.331	C	S	.	.			trans	-72.4	129	175.8	-174.2	0	0	0	0	110.5	M535 M536 P543 E547 P548	M535-V550 HydrophobicContact CG-CG1 3.88Å; M535-V550 HydrophobicContact SD-CG1 4.12Å; M536-V550 WeakPolarHBondContact O-CA 3.33Å; P543-V550 HydrophobicContact CB-CG2 4.44Å; P543-V550 HydrophobicContact CG-CG1 4.35Å; E547-V550 HydrophobicContact CB-CG2 3.67Å; E547-V550 HydrophobicContact CG-CG2 3.73Å; E547-V550 WeakPolarHBondContact O-CG2 3.25Å; E547-V550 PolarHBondContact O-N 3.06Å; P548-V550 VanDerWaalsContact C-N 3.31Å; P548-V550 PolarHBondContact O-N 2.92Å
551	Q	94.2	Very high	87.8	Confident	30 Å²	30	54.7 Å²	54.7	14%	0.14	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	123.9	174.4	-67.6	176.2	66.5	0	0	108.6	M535 M536 Q577 N579	M535-Q551 CarbonylContact C-O 3.59Å; M535-Q551 VanDerWaalsContact CA-O 3.26Å; M535-Q551 WeakPolarHBondContact CA-O 3.47Å; M536-Q551 HydrophobicContact CG-CB 3.89Å; M536-Q551 PolarHBondContact N-O 3.05Å; M536-Q551 PolarHBondContact O-N 3Å; Q551-Q577 PolarHBondContact NE2-O 2.01Å; Q551-N579 PolarHBondContact NE2-ND2 3.32Å
552	T	95.6	Very high	87.3	Confident	60 Å²	60	52.6 Å²	52.6	37%	0.368	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	118.3	171.7	-57.9	0	0	0	0	107.9	S533 A534 M535 Y574	S533-T552 WeakPolarHBondContact OG-CG2 3.28Å; A534-T552 WeakPolarHBondContact O-CA 3.29Å; M535-T552 WeakPolarHBondContact CE-OG1 3.19Å; T552-Y574 PolarHBondContact O-OH 2.92Å
553	I	97.6	Very high	86.1	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	126.2	-171.7	-50.7	-173.7	0	0	0	109.4	S533 A534 M536 L572 Y574 A576	S533-I553 CarbonylContact C-O 3.3Å; S533-I553 VanDerWaalsContact CA-O 3.3Å; S533-I553 WeakPolarHBondContact CA-O 3.27Å; S533-I553 WeakPolarHBondContact CB-O 3.39Å; A534-I553 PolarHBondContact N-O 3.29Å; A534-I553 PolarHBondContact O-N 2.78Å; M536-I553 HydrophobicContact CE-CD1 4.46Å; I553-L572 HydrophobicContact CB-CD2 4.36Å; I553-L572 HydrophobicContact CD1-CD1 4.26Å; I553-L572 HydrophobicContact CG2-CB 3.83Å; I553-L572 HydrophobicContact CG2-CD2 4.4Å; I553-Y574 HydrophobicContact CB-CE2 4.03Å; I553-Y574 HydrophobicContact CD1-CD2 3.96Å; I553-Y574 HydrophobicContact CD1-CE2 3.81Å; I553-Y574 HydrophobicContact CG1-CD2 4.15Å; I553-Y574 HydrophobicContact CG1-CE2 3.54Å; I553-Y574 HydrophobicContact CG2-CD1 4.13Å; I553-Y574 HydrophobicContact CG2-CD2 3.79Å; I553-Y574 HydrophobicContact CG2-CE1 3.98Å; I553-Y574 HydrophobicContact CG2-CE2 3.64Å; I553-Y574 HydrophobicContact CG2-CG 4.03Å; I553-A576 HydrophobicContact CD1-CB 4.01Å
554	P	97.7	Very high	85.3	Confident	46 Å²	46	56.7 Å²	56.7	30%	0.299	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	150.3	177.7	-24.7	36.4	0	0	0	113.2	E573	P554-E573 HydrophobicContact CB-CB 4.33Å; P554-E573 WeakPolarHBondContact CB-OE2 3.14Å; P554-E573 VanDerWaalsContact CG-OE2 3.26Å; P554-E573 WeakPolarHBondContact CG-OE2 3.29Å; P554-E573 PolarHBondContact O-N 2.87Å
555	L	95.5	Very high	85	Confident	8 Å²	8	48.7 Å²	48.7	4%	0.042	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	131.5	175.1	-60.2	-176.5	0	0	0	110.9	L496 L529 Y532 A534 L570 Q571 L572	L496-L555 HydrophobicContact CD2-CD1 4.39Å; L529-L555 HydrophobicContact CB-CB 4.5Å; L529-L555 HydrophobicContact CD1-CB 4.35Å; L529-L555 HydrophobicContact CD2-CB 4.38Å; Y532-L555 PolarHBondContact O-N 2.99Å; A534-L555 HydrophobicContact CB-CD2 3.99Å; L555-L570 HydrophobicContact CD1-CB 4.45Å; L555-L570 HydrophobicContact CD1-CD1 4.11Å; L555-L570 HydrophobicContact CD1-CD2 4.38Å; L555-L570 HydrophobicContact CD2-CB 4.11Å; L555-Q571 WeakPolarHBondContact CA-O 3.27Å; L555-L572 HydrophobicContact CD2-CD2 3.75Å
556	T	91.1	Very high	85.2	Confident	72 Å²	72	42.7 Å²	42.7	44%	0.442	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-31	-177.8	53.4	0	0	0	0	113.7	Q571 E573	T556-Q571 PolarHBondContact N-O 2.72Å; T556-Q571 PolarHBondContact OG1-O 3.15Å; T556-E573 HydrophobicContact CG2-CB 3.6Å; T556-E573 HydrophobicContact CG2-CG 3.83Å
557	K	88.9	Confident	85.9	Confident	41 Å²	41	39.2 Å²	39.2	18%	0.178	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	143.2	-175.5	-166.5	176.7	-179.2	178.7	0	110.9	E440 W514 V559 L570 Q571	E440-K557 IonicContact OE2-NZ 3.18Å; E440-K557 PolarHBondContact OE2-NZ 3.11Å; W514-K557 HydrophobicContact CH2-CD 4.48Å; K557-V559 HydrophobicContact CD-CG2 4.31Å; K557-V559 HydrophobicContact CG-CG2 4.18Å; K557-L570 WeakPolarHBondContact O-CA 3.31Å; K557-Q571 HydrophobicContact CB-CB 3.7Å; K557-Q571 PolarHBondContact O-N 2.73Å
558	I	88.8	Confident	86.5	Confident	21 Å²	21	37.3 Å²	37.3	11%	0.108	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	125	171.5	-179.2	167	0	0	0	108.5	F522 V527 L529 V568 L570	F522-I558 HydrophobicContact CB-CD1 4.32Å; F522-I558 HydrophobicContact CD1-CD1 4.22Å; F522-I558 HydrophobicContact CD2-CD1 3.77Å; F522-I558 HydrophobicContact CE2-CD1 4.11Å; F522-I558 HydrophobicContact CG-CD1 3.83Å; F522-I558 HydrophobicContact CZ-CD1 4.45Å; V527-I558 HydrophobicContact CG1-CD1 4.26Å; V527-I558 HydrophobicContact CG1-CG2 4.39Å; L529-I558 HydrophobicContact CD1-CB 4Å; L529-I558 HydrophobicContact CD1-CG2 4.02Å; L529-I558 HydrophobicContact CG-CG2 4.37Å; I558-V568 HydrophobicContact CD1-CB 4.38Å; I558-V568 HydrophobicContact CD1-CG1 4.23Å; I558-V568 HydrophobicContact CG1-CB 4.24Å; I558-V568 HydrophobicContact CG1-CG1 4.37Å; I558-L570 HydrophobicContact CB-CD2 3.91Å; I558-L570 HydrophobicContact CD1-CD2 3.88Å; I558-L570 HydrophobicContact CG1-CD2 3.71Å
559	V	87.9	Confident	87.3	Confident	22 Å²	22	32.5 Å²	32.5	13%	0.133	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	107.4	178.8	-173.9	0	0	0	0	108.4	W514 K557 V568 M569 W701 V705	W514-V559 HydrophobicContact CH2-CG2 4.02Å; W514-V559 HydrophobicContact CZ3-CG2 4.12Å; K557-V559 HydrophobicContact CD-CG2 4.31Å; K557-V559 HydrophobicContact CG-CG2 4.18Å; V559-V568 WeakPolarHBondContact O-CA 3.43Å; V559-M569 HydrophobicContact CB-CB 4.27Å; V559-M569 PolarHBondContact N-O 3.03Å; V559-M569 PolarHBondContact O-N 3.24Å; V559-W701 HydrophobicContact CG1-CZ2 4.25Å; V559-V705 HydrophobicContact CB-CG1 4.13Å; V559-V705 HydrophobicContact CG1-CG1 4.21Å; V559-V705 HydrophobicContact CG1-CG2 3.84Å; V559-V705 HydrophobicContact CG2-CG1 4.1Å
560	C	84.9	Confident	88	Confident	9 Å²	9	31 Å²	31	6%	0.061	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	132.7	176.7	-78	0	0	0	0	111.6	C525	C525-C560 HydrophobicContact CB-CB 3.96Å; C525-C560 WeakPolarHBondContact CB-SG 3.26Å; C525-C560 WeakPolarHBondContact SG-CB 3.1Å; C525-C560 CovalentContact SG-SG 2.02Å; C525-C560 PolarHBondContact SG-SG 3.26Å
561	G	81.6	Confident	88.3	Confident	8 Å²	8	30.5 Å²	30.5	8%	0.082	17%	0.17	C	C	.	.			trans	-73.8	-172.7	-177.2	0	0	0	0	0	115.2	R387 L567 W701	R387-G561 PolarHBondContact NH2-O 3.28Å; G561-L567 PolarHBondContact N-O 2.91Å; G561-W701 VanDerWaalsContact CA-CE2 3.48Å; G561-W701 VanDerWaalsContact CA-CH2 3.48Å
562	P	76.5	Confident	88.4	Confident	9 Å²	9	29.1 Å²	29.1	6%	0.058	16%	0.163	C	C	.	.	S	Bend	trans	-56.5	157.4	-174.2	-29.4	37.6	0	0	0	115.9	H428 Y443 E564 S565 Y698 W701	H428-P562 VanDerWaalsContact CD2-CG 3.49Å; H428-P562 WeakPolarHBondContact CD2-CG 3.45Å; Y443-P562 HydrophobicContact CE2-CG 4.02Å; P562-E564 PolarHBondContact O-N 2.77Å; P562-S565 VanDerWaalsContact O-CB 3.31Å; P562-S565 WeakPolarHBondContact O-CB 3.46Å; P562-S565 PolarHBondContact O-N 3.33Å; P562-S565 PolarHBondContact O-OG 3.32Å; P562-Y698 HydrophobicContact CB-CD1 4.34Å; P562-Y698 HydrophobicContact CB-CE1 4.09Å; P562-Y698 HydrophobicContact CG-CD1 3.95Å; P562-Y698 HydrophobicContact CG-CE1 4.21Å; P562-W701 HydrophobicContact CG-CB 4.16Å; P562-W701 HydrophobicContact CG-CD2 4.25Å; P562-W701 HydrophobicContact CG-CG 3.88Å
563	S	64.4	Low	88.4	Confident	75 Å²	75	31.4 Å²	31.4	52%	0.524	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51	135.7	172.2	-68.2	0	0	0	0	109.2	R387 S565	R387-S563 WeakPolarHBondContact CD-OG 3.19Å; S563-S565 PolarHBondContact O-N 3.09Å
564	E	70.9	Confident	88.3	Confident	126 Å²	126	36.5 Å²	36.5	59%	0.589	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.1	-3.3	-175.2	-46.4	-63.7	125.3	0	0	116.8	P562 R639 N641	P562-E564 PolarHBondContact O-N 2.77Å; E564-R639 IonicContact OE2-CZ 2.95Å; E564-R639 IonicContact OE2-NH1 3.94Å; E564-R639 PolarHBondContact OE2-NH1 3.46Å; E564-R639 IonicContact OE2-NH2 3.83Å; E564-N641 PolarHBondContact O-ND2 2.91Å
565	S	78.1	Confident	88.2	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.014	19%	0.188	C	C	.	.			trans	-76.9	-25.7	-177.7	79.8	0	0	0	0	114.5	P562 S563 L567 I693 Y698	P562-S565 VanDerWaalsContact O-CB 3.31Å; P562-S565 WeakPolarHBondContact O-CB 3.46Å; P562-S565 PolarHBondContact O-N 3.33Å; P562-S565 PolarHBondContact O-OG 3.32Å; S563-S565 PolarHBondContact O-N 3.09Å; S565-L567 PolarHBondContact O-N 2.67Å; S565-L567 PolarHBondContact OG-N 3.05Å; S565-L567 VanDerWaalsContact OG-N 3.14Å; S565-I693 WeakPolarHBondContact O-CD1 3.48Å; S565-I693 WeakPolarHBondContact O-CG1 3.36Å; S565-Y698 VanDerWaalsContact CA-OH 3.27Å; S565-Y698 WeakPolarHBondContact CA-OH 3.47Å; S565-Y698 WeakPolarHBondContact CB-OH 3.45Å
566	Q	86.4	Confident	88.2	Confident	80 Å²	80	36.1 Å²	36.1	37%	0.374	19%	0.188	S	C	.	.			trans	51.2	16.4	-169.6	-56.3	-170.9	-3.5	0	0	114.1	T518 K519 I693	T518-Q566 CarbonylContact C-O 3.52Å; T518-Q566 VanDerWaalsContact CA-O 3.25Å; T518-Q566 WeakPolarHBondContact CA-O 3.5Å; T518-Q566 PolarHBondContact OG1-O 2.84Å; K519-Q566 PolarHBondContact N-O 3.36Å; Q566-I693 HydrophobicContact CB-CD1 4.02Å
567	L	92.8	Very high	88.3	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	152	178.9	-70.7	171.5	0	0	0	112	I516 G561 S565 V676 I693 Y698 W701	I516-L567 HydrophobicContact CD1-CD1 4.42Å; I516-L567 HydrophobicContact CD1-CD2 4.07Å; I516-L567 HydrophobicContact CG1-CD2 4.2Å; G561-L567 PolarHBondContact N-O 2.91Å; S565-L567 PolarHBondContact O-N 2.67Å; S565-L567 PolarHBondContact OG-N 3.05Å; S565-L567 VanDerWaalsContact OG-N 3.14Å; L567-V676 HydrophobicContact CD2-CB 3.92Å; L567-V676 HydrophobicContact CD2-CG1 4.15Å; L567-V676 HydrophobicContact CD2-CG2 3.72Å; L567-I693 HydrophobicContact CD1-CG2 3.98Å; L567-I693 HydrophobicContact CD2-CB 4.35Å; L567-I693 HydrophobicContact CD2-CD1 3.68Å; L567-I693 HydrophobicContact CD2-CG2 4Å; L567-I693 HydrophobicContact CG-CD1 4.05Å; L567-I693 HydrophobicContact CG-CG2 3.88Å; L567-Y698 HydrophobicContact CD1-CD1 4.4Å; L567-Y698 HydrophobicContact CD1-CD2 3.4Å; L567-Y698 VanDerWaalsContact CD1-CD2 3.4Å; L567-Y698 HydrophobicContact CD1-CE2 4.14Å; L567-Y698 HydrophobicContact CD1-CG 3.56Å; L567-W701 HydrophobicContact CB-CH2 4.22Å; L567-W701 HydrophobicContact CB-CZ3 3.87Å; L567-W701 HydrophobicContact CD1-CZ3 4.15Å
568	V	93.6	Very high	88.4	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	146	165.9	-62	0	0	0	0	110.3	I516 S517 K519 F522 I558 V559 L570	I516-V568 WeakPolarHBondContact CA-O 3.5Å; S517-V568 PolarHBondContact N-O 3.28Å; S517-V568 PolarHBondContact O-N 2.86Å; K519-V568 HydrophobicContact CB-CG1 3.78Å; K519-V568 HydrophobicContact CG-CG1 4.39Å; F522-V568 HydrophobicContact CD2-CG2 4.16Å; F522-V568 HydrophobicContact CE2-CG2 3.88Å; I558-V568 HydrophobicContact CD1-CB 4.38Å; I558-V568 HydrophobicContact CD1-CG1 4.23Å; I558-V568 HydrophobicContact CG1-CB 4.24Å; I558-V568 HydrophobicContact CG1-CG1 4.37Å; V559-V568 WeakPolarHBondContact O-CA 3.43Å; V568-L570 HydrophobicContact CG2-CD2 4.42Å; V568-L570 HydrophobicContact CG2-CG 4.42Å
569	M	95.3	Very high	88.2	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	130.2	169.4	-77.4	-76.5	-77	0	0	108.4	V510 W514 I516 V559 W701 I702 V705 M706	V510-M569 HydrophobicContact CG2-CE 3.91Å; V510-M569 HydrophobicContact CG2-SD 4.1Å; W514-M569 HydrophobicContact CB-CE 3.69Å; W514-M569 HydrophobicContact CD2-CE 3.93Å; W514-M569 HydrophobicContact CE3-CB 3.8Å; W514-M569 HydrophobicContact CE3-CE 3.8Å; W514-M569 HydrophobicContact CG-CE 3.92Å; W514-M569 HydrophobicContact CZ3-CB 3.84Å; I516-M569 HydrophobicContact CB-SD 3.83Å; I516-M569 HydrophobicContact CD1-SD 4.48Å; I516-M569 HydrophobicContact CG1-SD 4.07Å; V559-M569 HydrophobicContact CB-CB 4.27Å; V559-M569 PolarHBondContact N-O 3.03Å; V559-M569 PolarHBondContact O-N 3.24Å; M569-W701 HydrophobicContact CB-CH2 4.09Å; M569-W701 HydrophobicContact CB-CZ2 4.42Å; M569-W701 HydrophobicContact CG-CH2 3.41Å; M569-W701 VanDerWaalsContact CG-CH2 3.41Å; M569-W701 HydrophobicContact CG-CZ2 4.02Å; M569-W701 HydrophobicContact CG-CZ3 3.87Å; M569-I702 HydrophobicContact CE-CG2 3.92Å; M569-I702 HydrophobicContact SD-CG2 4.09Å; M569-V705 HydrophobicContact CB-CG1 3.87Å; M569-V705 HydrophobicContact CE-CB 4.45Å; M569-V705 HydrophobicContact CE-CG1 4.18Å; M569-V705 HydrophobicContact CG-CG1 4.2Å; M569-M706 HydrophobicContact CE-CG 3.66Å; M569-M706 HydrophobicContact CE-SD 4.33Å
570	L	96.3	Very high	87.8	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	125	-176.5	-57.5	169.1	0	0	0	109	L496 W514 V515 F522 L555 K557 I558 V568	L496-L570 HydrophobicContact CD1-CD1 3.68Å; L496-L570 HydrophobicContact CD2-CD1 3.64Å; L496-L570 HydrophobicContact CG-CD1 4.34Å; W514-L570 WeakPolarHBondContact CA-O 3.3Å; V515-L570 HydrophobicContact CB-CB 4.35Å; V515-L570 PolarHBondContact N-O 2.63Å; V515-L570 PolarHBondContact O-N 3.33Å; F522-L570 HydrophobicContact CE2-CD1 4.08Å; F522-L570 HydrophobicContact CE2-CD2 3.98Å; F522-L570 HydrophobicContact CZ-CD1 3.77Å; F522-L570 HydrophobicContact CZ-CD2 3.75Å; F522-L570 HydrophobicContact CZ-CG 4.4Å; L555-L570 HydrophobicContact CD1-CB 4.45Å; L555-L570 HydrophobicContact CD1-CD1 4.11Å; L555-L570 HydrophobicContact CD1-CD2 4.38Å; L555-L570 HydrophobicContact CD2-CB 4.11Å; K557-L570 WeakPolarHBondContact O-CA 3.31Å; I558-L570 HydrophobicContact CB-CD2 3.91Å; I558-L570 HydrophobicContact CD1-CD2 3.88Å; I558-L570 HydrophobicContact CG1-CD2 3.71Å; V568-L570 HydrophobicContact CG2-CD2 4.42Å; V568-L570 HydrophobicContact CG2-CG 4.42Å
571	Q	95.4	Very high	87.8	Confident	29 Å²	29	53.6 Å²	53.6	14%	0.136	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	130.2	178.4	-163	172.9	22.8	0	0	110.4	R513 W514 L555 T556 K557	R513-Q571 WeakPolarHBondContact O-CA 3.21Å; W514-Q571 HydrophobicContact CD2-CB 4.5Å; W514-Q571 HydrophobicContact CE3-CB 4.2Å; W514-Q571 HydrophobicContact CH2-CB 3.56Å; W514-Q571 HydrophobicContact CH2-CG 3.94Å; W514-Q571 HydrophobicContact CZ2-CB 3.8Å; W514-Q571 HydrophobicContact CZ2-CG 3.62Å; W514-Q571 HydrophobicContact CZ3-CB 3.77Å; W514-Q571 HydrophobicContact CZ3-CG 4.48Å; L555-Q571 WeakPolarHBondContact CA-O 3.27Å; T556-Q571 PolarHBondContact N-O 2.72Å; T556-Q571 PolarHBondContact OG1-O 3.15Å; K557-Q571 HydrophobicContact CB-CB 3.7Å; K557-Q571 PolarHBondContact O-N 2.73Å
572	L	96.6	Very high	88.3	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	140.4	171.7	-56	-176.8	0	0	0	110	L509 R513 V515 A534 M536 I553 L555 Y574 A576	L509-L572 HydrophobicContact CD1-CD1 4.07Å; R513-L572 PolarHBondContact O-N 3.19Å; V515-L572 HydrophobicContact CG2-CD1 4.34Å; V515-L572 HydrophobicContact CG2-CD2 3.97Å; V515-L572 HydrophobicContact CG2-CG 4.31Å; A534-L572 HydrophobicContact CB-CD2 3.58Å; M536-L572 HydrophobicContact CE-CD1 4.06Å; I553-L572 HydrophobicContact CB-CD2 4.36Å; I553-L572 HydrophobicContact CD1-CD1 4.26Å; I553-L572 HydrophobicContact CG2-CB 3.83Å; I553-L572 HydrophobicContact CG2-CD2 4.4Å; L555-L572 HydrophobicContact CD2-CD2 3.75Å; L572-Y574 VanDerWaalsContact C-N 3.3Å; L572-Y574 WeakPolarHBondContact CB-O 3.34Å; L572-Y574 PolarHBondContact O-N 2.96Å; L572-A576 HydrophobicContact CD1-CB 4.26Å
573	E	95.4	Very high	88.9	Confident	108 Å²	108	53.6 Å²	53.6	51%	0.505	26%	0.258	S	S	.	.	S	Bend	trans	-57	-43.6	177.3	-171.6	172.3	-167.7	0	0	112.3	R513 P554 T556	R513-E573 PolarHBondContact NH1-O 2.89Å; P554-E573 HydrophobicContact CB-CB 4.33Å; P554-E573 WeakPolarHBondContact CB-OE2 3.14Å; P554-E573 VanDerWaalsContact CG-OE2 3.26Å; P554-E573 WeakPolarHBondContact CG-OE2 3.29Å; P554-E573 PolarHBondContact O-N 2.87Å; T556-E573 HydrophobicContact CG2-CB 3.6Å; T556-E573 HydrophobicContact CG2-CG 3.83Å
574	Y	95.5	Very high	90.3	Very high	108 Å²	108	51.6 Å²	51.6	42%	0.424	24%	0.24	S	C	.	.	S	Bend	trans	-132.7	155.6	176.6	46.5	-93.7	0	0	0	110.5	T552 I553 L572 A576	T552-Y574 PolarHBondContact O-OH 2.92Å; I553-Y574 HydrophobicContact CB-CE2 4.03Å; I553-Y574 HydrophobicContact CD1-CD2 3.96Å; I553-Y574 HydrophobicContact CD1-CE2 3.81Å; I553-Y574 HydrophobicContact CG1-CD2 4.15Å; I553-Y574 HydrophobicContact CG1-CE2 3.54Å; I553-Y574 HydrophobicContact CG2-CD1 4.13Å; I553-Y574 HydrophobicContact CG2-CD2 3.79Å; I553-Y574 HydrophobicContact CG2-CE1 3.98Å; I553-Y574 HydrophobicContact CG2-CE2 3.64Å; I553-Y574 HydrophobicContact CG2-CG 4.03Å; L572-Y574 VanDerWaalsContact C-N 3.3Å; L572-Y574 WeakPolarHBondContact CB-O 3.34Å; L572-Y574 PolarHBondContact O-N 2.96Å; Y574-A576 PolarHBondContact O-N 3.07Å
575	P	96.1	Very high	91.5	Very high	41 Å²	41	45.7 Å²	45.7	27%	0.266	21%	0.212	S	C	.	.			trans	-70.2	134.3	-174.7	28.1	-31.5	0	0	0	111.3	P512 R513 Q577	P512-P575 HydrophobicContact CB-CB 3.91Å; P512-P575 CarbonylContact O-C 3.24Å; P512-P575 VanDerWaalsContact O-CA 3.25Å; P512-P575 WeakPolarHBondContact O-CA 3.36Å; R513-P575 HydrophobicContact CG-CB 3.88Å; P575-Q577 PolarHBondContact O-NE2 3.13Å
576	A	95.5	Very high	92	Very high	5 Å²	5	45.6 Å²	45.6	4%	0.041	21%	0.212	C	C	.	.			trans	-59.1	137.8	169.1	0	0	0	0	0	110.5	L509 P512 M536 I553 L572 Y574 V582	L509-A576 HydrophobicContact CD2-CB 4.16Å; P512-A576 PolarHBondContact O-N 3.41Å; M536-A576 HydrophobicContact CE-CB 4.44Å; M536-A576 HydrophobicContact SD-CB 3.62Å; I553-A576 HydrophobicContact CD1-CB 4.01Å; L572-A576 HydrophobicContact CD1-CB 4.26Å; Y574-A576 PolarHBondContact O-N 3.07Å; A576-V582 HydrophobicContact CB-CG1 4.43Å
577	Q	94	Very high	92.2	Very high	124 Å²	124	43 Å²	43	58%	0.579	20%	0.2	S	C	*	.			trans	-89.1	113.9	178.4	-60.5	-58.6	-50.4	0	0	109.1	Q551 P575 N579	Q551-Q577 PolarHBondContact NE2-O 2.01Å; P575-Q577 PolarHBondContact O-NE2 3.13Å; Q577-N579 PolarHBondContact O-ND2 2.77Å
578	F	90.1	Very high	91.8	Very high	90 Å²	90	43 Å²	43	40%	0.395	20%	0.2	S	C	.	.			trans	-70	137.3	178.8	-63.4	-21.5	0	0	0	111.7	L509 P512 V582 Q584	L509-F578 HydrophobicContact CD2-CD1 4.47Å; L509-F578 HydrophobicContact CD2-CE1 3.8Å; P512-F578 HydrophobicContact CB-CE1 4.37Å; P512-F578 HydrophobicContact CB-CZ 4.11Å; P512-F578 HydrophobicContact CG-CE1 4.18Å; P512-F578 HydrophobicContact CG-CE2 3.77Å; P512-F578 HydrophobicContact CG-CZ 3.46Å; P512-F578 VanDerWaalsContact CG-CZ 3.46Å; F578-V582 CarbonylContact C-O 3.6Å; F578-V582 VanDerWaalsContact CA-O 3.24Å; F578-V582 WeakPolarHBondContact CA-O 3.38Å; F578-V582 HydrophobicContact CD1-CG1 4.42Å; F578-Q584 HydrophobicContact CE1-CB 4.27Å; F578-Q584 HydrophobicContact CE2-CB 4.3Å; F578-Q584 HydrophobicContact CE2-CG 3.93Å; F578-Q584 HydrophobicContact CZ-CB 3.68Å; F578-Q584 HydrophobicContact CZ-CG 3.83Å
579	N	84.9	Confident	90.9	Very high	68 Å²	68	45 Å²	45	36%	0.364	21%	0.213	S	C	.	.	B	Isolated β-bridge	trans	-157.1	-171.5	178.3	63.1	53.9	0	0	0	109.6	Q551 Q577 R581 V582	Q551-N579 PolarHBondContact NE2-ND2 3.32Å; Q577-N579 PolarHBondContact O-ND2 2.77Å; N579-R581 PolarHBondContact O-N 3Å; N579-R581 VanDerWaalsContact O-N 3.1Å; N579-R581 WeakPolarHBondContact OD1-CA 3.49Å; N579-R581 WeakPolarHBondContact OD1-CB 3.29Å; N579-R581 PolarHBondContact OD1-N 2.89Å; N579-V582 PolarHBondContact N-O 3.32Å; N579-V582 CarbonylContact O-C 3.27Å; N579-V582 PolarHBondContact O-N 3.49Å; N579-V582 PolarHBondContact OD1-N 2.84Å; N579-V582 VanDerWaalsContact OD1-N 3.08Å
580	E	80.7	Confident	89.7	Confident	131 Å²	131	49 Å²	49	61%	0.612	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-22.4	-179.1	-63	178.2	-178.4	0	0	114.4
581	R	84.9	Confident	88.5	Confident	118 Å²	118	52.9 Å²	52.9	45%	0.445	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-11.8	-177.9	-58.2	-175.1	178.2	-169.9	-5.6	114	P491 G537 P548 N579	P491-R581 WeakPolarHBondContact CA-O 3.37Å; G537-R581 WeakPolarHBondContact O-CD 3.33Å; P548-R581 PolarHBondContact O-NH1 3.47Å; N579-R581 PolarHBondContact O-N 3Å; N579-R581 VanDerWaalsContact O-N 3.1Å; N579-R581 WeakPolarHBondContact OD1-CA 3.49Å; N579-R581 WeakPolarHBondContact OD1-CB 3.29Å; N579-R581 PolarHBondContact OD1-N 2.89Å
582	V	90.2	Very high	87.7	Confident	0 Å²	0	54 Å²	54	0%	0	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-132	111.5	-178	-177.5	0	0	0	0	108.7	P491 L509 M536 G537 A576 F578 N579	P491-V582 WeakPolarHBondContact O-CA 3.01Å; L509-V582 HydrophobicContact CD2-CG1 3.85Å; M536-V582 HydrophobicContact CB-CG2 4.35Å; M536-V582 HydrophobicContact CG-CG1 3.89Å; M536-V582 HydrophobicContact CG-CG2 3.93Å; M536-V582 HydrophobicContact SD-CG1 3.67Å; G537-V582 VanDerWaalsContact CA-CG2 3.42Å; A576-V582 HydrophobicContact CB-CG1 4.43Å; F578-V582 CarbonylContact C-O 3.6Å; F578-V582 VanDerWaalsContact CA-O 3.24Å; F578-V582 WeakPolarHBondContact CA-O 3.38Å; F578-V582 HydrophobicContact CD1-CG1 4.42Å; N579-V582 PolarHBondContact N-O 3.32Å; N579-V582 CarbonylContact O-C 3.27Å; N579-V582 PolarHBondContact O-N 3.49Å; N579-V582 PolarHBondContact OD1-N 2.84Å; N579-V582 VanDerWaalsContact OD1-N 3.08Å
583	S	91	Very high	86.8	Confident	18 Å²	18	57.4 Å²	57.4	13%	0.126	27%	0.268	C	S	.	.			trans	-142	160.6	177.1	73.6	0	0	0	0	111.2	K470 P491 W492	K470-S583 PolarHBondContact O-OG 3.28Å; P491-S583 WeakPolarHBondContact CB-OG 3.35Å; P491-S583 WeakPolarHBondContact CG-OG 3.45Å; P491-S583 PolarHBondContact O-N 2.73Å; W492-S583 WeakPolarHBondContact CA-O 3.4Å; W492-S583 WeakPolarHBondContact CB-O 3.25Å
584	Q	93.3	Very high	86.3	Confident	32 Å²	32	52.6 Å²	52.6	15%	0.15	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-84.4	141.6	173.8	60.9	-175.2	7.6	0	0	111.1	E467 C468 G469 L509 F578	E467-Q584 PolarHBondContact O-NE2 2.92Å; C468-Q584 HydrophobicContact CB-CG 3.88Å; G469-Q584 PolarHBondContact N-O 2.91Å; L509-Q584 WeakPolarHBondContact O-CA 3.32Å; F578-Q584 HydrophobicContact CE1-CB 4.27Å; F578-Q584 HydrophobicContact CE2-CB 4.3Å; F578-Q584 HydrophobicContact CE2-CG 3.93Å; F578-Q584 HydrophobicContact CZ-CB 3.68Å; F578-Q584 HydrophobicContact CZ-CG 3.83Å
585	I	94.7	Very high	85.6	Confident	2 Å²	2	50.7 Å²	50.7	1%	0.01	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-83.2	149.3	170.5	-165.8	161	0	0	0	110.9	W492 L509 V510 A664 W671 L673	W492-I585 HydrophobicContact CB-CB 3.75Å; W492-I585 HydrophobicContact CB-CG2 4.35Å; W492-I585 HydrophobicContact CD2-CB 3.91Å; W492-I585 HydrophobicContact CD2-CD1 3.98Å; W492-I585 HydrophobicContact CD2-CG1 4.08Å; W492-I585 HydrophobicContact CE3-CB 4.3Å; W492-I585 HydrophobicContact CE3-CG1 4.49Å; W492-I585 HydrophobicContact CG-CB 3.64Å; W492-I585 HydrophobicContact CG-CD1 3.97Å; W492-I585 HydrophobicContact CG-CG1 4.17Å; W492-I585 HydrophobicContact CG-CG2 4.49Å; W492-I585 HydrophobicContact CZ2-CD1 4.5Å; L509-I585 PolarHBondContact O-N 3.1Å; V510-I585 HydrophobicContact CG1-CG2 4.25Å; I585-A664 HydrophobicContact CD1-CB 3.6Å; I585-W671 WeakPolarHBondContact CG1-O 3.32Å; I585-L673 HydrophobicContact CB-CB 4.45Å; I585-L673 HydrophobicContact CD1-CB 3.64Å; I585-L673 HydrophobicContact CD1-CD1 4.04Å; I585-L673 HydrophobicContact CD1-CG 4.43Å; I585-L673 HydrophobicContact CG1-CB 3.88Å; I585-L673 HydrophobicContact CG2-CB 3.75Å; I585-L673 HydrophobicContact CG2-CD2 4.17Å; I585-L673 HydrophobicContact CG2-CG 4.38Å
586	C	90.1	Very high	85.1	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.007	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-73.4	148.5	173.3	-65.8	0	0	0	0	111.9	F465 C468 G469 W671 V672 L673	F465-C586 VanDerWaalsContact CB-SG 3.52Å; F465-C586 HydrophobicContact CD1-CB 3.89Å; F465-C586 HydrophobicContact CE1-CB 4.11Å; F465-C586 HydrophobicContact CG-CB 4.18Å; C468-C586 VanDerWaalsContact CA-SG 3.57Å; C468-C586 HydrophobicContact CB-CB 4.08Å; C468-C586 WeakPolarHBondContact CB-SG 3.36Å; C468-C586 PolarHBondContact O-SG 3.07Å; C468-C586 WeakPolarHBondContact SG-CA 3.46Å; C468-C586 WeakPolarHBondContact SG-CB 3.43Å; C468-C586 CovalentContact SG-SG 2.05Å; C468-C586 PolarHBondContact SG-SG 3Å; G469-C586 PolarHBondContact N-SG 3.17Å; G469-C586 VanDerWaalsContact N-SG 3.42Å; C586-W671 WeakPolarHBondContact CB-O 3.47Å; C586-W671 PolarHBondContact N-O 3.49Å; C586-W671 VanDerWaalsContact N-O 3.15Å; C586-V672 HydrophobicContact CB-CG2 4.14Å; C586-L673 PolarHBondContact O-N 2.88Å
587	L	89.6	Confident	84.6	Confident	24 Å²	24	59.5 Å²	59.5	13%	0.126	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-92	140.4	168	-66.3	174.7	0	0	0	109.5	F465 V510 V695 V699 I702 M706	F465-L587 VanDerWaalsContact CE1-O 3.26Å; F465-L587 WeakPolarHBondContact CE1-O 3.29Å; F465-L587 WeakPolarHBondContact CZ-O 3.48Å; V510-L587 HydrophobicContact CG1-CD2 3.99Å; L587-V695 HydrophobicContact CD2-CG1 4.11Å; L587-V699 HydrophobicContact CB-CG1 4.47Å; L587-V699 HydrophobicContact CB-CG2 4.47Å; L587-I702 HydrophobicContact CD1-CB 4.33Å; L587-I702 HydrophobicContact CD1-CG2 3.62Å; L587-I702 HydrophobicContact CD2-CD1 4.22Å; L587-I702 HydrophobicContact CD2-CG2 4.34Å; L587-M706 HydrophobicContact CD1-CE 4Å
588	P	85.6	Confident	84.2	Confident	3 Å²	3	55.3 Å²	55.3	2%	0.019	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-67.6	163.5	178.2	26.7	-33.3	0	0	0	111.3	Y592 V672 L673 E674 V695 V699	P588-Y592 HydrophobicContact CB-CD1 4.48Å; P588-V672 VanDerWaalsContact CA-CG1 3.48Å; P588-V672 HydrophobicContact CB-CG1 3.65Å; P588-V672 HydrophobicContact CG-CG1 4.24Å; P588-L673 WeakPolarHBondContact CD-O 3.41Å; P588-E674 WeakPolarHBondContact CB-OE2 3.36Å; P588-V695 HydrophobicContact CG-CB 4.36Å; P588-V695 HydrophobicContact CG-CG1 4.1Å; P588-V699 HydrophobicContact CG-CG2 3.99Å; P588-V699 WeakPolarHBondContact O-CG2 3.17Å
589	P	73.4	Confident	84	Confident	41 Å²	41	58.5 Å²	58.5	27%	0.266	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-57.8	148.7	165.4	-17.4	29.8	0	0	0	110.8	V463 R591 Y592 S696	V463-P589 HydrophobicContact CG2-CG 3.85Å; P589-R591 PolarHBondContact O-N 3.11Å; P589-Y592 HydrophobicContact CG-CG 4.5Å; P589-Y592 VanDerWaalsContact O-CB 3.23Å; P589-Y592 WeakPolarHBondContact O-CB 3.23Å; P589-Y592 PolarHBondContact O-N 3.29Å; P589-S696 WeakPolarHBondContact O-CB 3.27Å
590	E	71.4	Confident	84.2	Confident	86 Å²	86	55.3 Å²	55.3	40%	0.402	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	132.6	179	-77.4	168.4	-145	0	0	110.9	Y592 V699 K703	E590-Y592 PolarHBondContact O-N 3.01Å; E590-Y592 VanDerWaalsContact O-N 3.1Å; E590-V699 HydrophobicContact CG-CB 3.77Å; E590-V699 HydrophobicContact CG-CG1 3.83Å; E590-K703 IonicContact OE1-NZ 2.86Å
591	R	71.1	Confident	84.6	Confident	81 Å²	81	49.3 Å²	49.3	31%	0.306	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	13	-178.5	-55.7	179	177.3	-90.9	-0.3	115.6	L456 P589 I593 S696	L456-R591 HydrophobicContact CD2-CB 4.29Å; P589-R591 PolarHBondContact O-N 3.11Å; R591-I593 PolarHBondContact O-N 2.79Å; R591-S696 PolarHBondContact N-O 3.41Å
592	Y	77.5	Confident	84.8	Confident	53 Å²	53	44.2 Å²	44.2	21%	0.208	22%	0.215	C	C	.	.			trans	-55.9	134	173.9	-178.1	-111.2	0	0	0	111.8	P588 P589 E590 V594 P595 E674 S696	P588-Y592 HydrophobicContact CB-CD1 4.48Å; P589-Y592 HydrophobicContact CG-CG 4.5Å; P589-Y592 VanDerWaalsContact O-CB 3.23Å; P589-Y592 WeakPolarHBondContact O-CB 3.23Å; P589-Y592 PolarHBondContact O-N 3.29Å; E590-Y592 PolarHBondContact O-N 3.01Å; E590-Y592 VanDerWaalsContact O-N 3.1Å; Y592-V594 HydrophobicContact CD1-CG2 4.29Å; Y592-V594 HydrophobicContact CE1-CB 4.47Å; Y592-V594 HydrophobicContact CE1-CG2 4.11Å; Y592-P595 VanDerWaalsContact OH-CD 3.3Å; Y592-P595 WeakPolarHBondContact OH-CD 3.19Å; Y592-E674 WeakPolarHBondContact CD1-OE1 3.41Å; Y592-S696 WeakPolarHBondContact O-CB 3.34Å; Y592-S696 PolarHBondContact O-OG 3.39Å
593	I	78.9	Confident	84.8	Confident	72 Å²	72	44.3 Å²	44.3	37%	0.369	22%	0.217	S	C	.	.			trans	-105.3	115.6	171.9	-57.4	-179.9	0	0	0	107.9	L456 R591 P595	L456-I593 HydrophobicContact CB-CD1 3.8Å; L456-I593 HydrophobicContact CD1-CD1 3.82Å; L456-I593 HydrophobicContact CG-CD1 4.26Å; R591-I593 PolarHBondContact O-N 2.79Å; I593-P595 WeakPolarHBondContact O-CD 3.34Å
594	V	83.8	Confident	84.6	Confident	7 Å²	7	43.8 Å²	43.8	4%	0.042	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-60.7	125.4	173.1	-168.6	0	0	0	0	109.8	Y592 T598 V624 M643 E674	Y592-V594 HydrophobicContact CD1-CG2 4.29Å; Y592-V594 HydrophobicContact CE1-CB 4.47Å; Y592-V594 HydrophobicContact CE1-CG2 4.11Å; V594-T598 HydrophobicContact CG1-CG2 3.68Å; V594-V624 HydrophobicContact CB-CG1 4.32Å; V594-V624 HydrophobicContact CB-CG2 4.29Å; V594-V624 HydrophobicContact CG1-CB 4.4Å; V594-V624 HydrophobicContact CG1-CG1 4.48Å; V594-V624 HydrophobicContact CG1-CG2 3.82Å; V594-M643 HydrophobicContact CB-CE 4.32Å; V594-M643 HydrophobicContact CG2-CE 3.97Å; V594-E674 HydrophobicContact CG2-CB 3.75Å; V594-E674 HydrophobicContact CG2-CG 3.48Å; V594-E674 VanDerWaalsContact CG2-CG 3.48Å; V594-E674 VanDerWaalsContact CG2-OE2 3.28Å; V594-E674 WeakPolarHBondContact CG2-OE2 3.31Å
595	P	81.6	Confident	84.3	Confident	67 Å²	67	42.4 Å²	42.4	44%	0.435	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-57.9	147.5	178.4	-26	34.4	0	0	0	112.4	Y592 I593 T598	Y592-P595 VanDerWaalsContact OH-CD 3.3Å; Y592-P595 WeakPolarHBondContact OH-CD 3.19Å; I593-P595 WeakPolarHBondContact O-CD 3.34Å; P595-T598 VanDerWaalsContact O-CB 3.24Å; P595-T598 WeakPolarHBondContact O-CB 3.37Å; P595-T598 PolarHBondContact O-N 3.34Å; P595-T598 PolarHBondContact O-OG1 2.88Å
596	E	85.3	Confident	83.6	Confident	93 Å²	93	42.5 Å²	42.5	44%	0.435	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	147.7	174.7	-58.1	-167.5	-122.1	0	0	111.2	T598 S626	E596-T598 PolarHBondContact O-N 2.88Å; E596-T598 VanDerWaalsContact O-N 3.12Å; E596-S626 WeakPolarHBondContact OE1-CB 3.24Å; E596-S626 PolarHBondContact OE1-OG 2.57Å; E596-S626 VanDerWaalsContact OE2-CB 3.26Å; E596-S626 WeakPolarHBondContact OE2-CB 3.35Å; E596-S626 PolarHBondContact OE2-N 3.35Å; E596-S626 VanDerWaalsContact OE2-N 3.11Å; E596-S626 PolarHBondContact OE2-OG 3.35Å
597	H	85.1	Confident	82.8	Confident	139 Å²	139	46.1 Å²	46.1	64%	0.644	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	66	1.2	-176.7	-46.4	-57.5	0	0	0	116.1	K599 V624	H597-K599 PolarHBondContact O-N 2.89Å; H597-V624 PolarHBondContact N-O 3.23Å
598	T	86.1	Confident	81.8	Confident	35 Å²	35	46 Å²	46	22%	0.215	23%	0.226	C	C	.	.			trans	-56.8	125.7	169.3	-58.1	0	0	0	0	108.9	V594 P595 E596 C600 P623 V624 C665	V594-T598 HydrophobicContact CG1-CG2 3.68Å; P595-T598 VanDerWaalsContact O-CB 3.24Å; P595-T598 WeakPolarHBondContact O-CB 3.37Å; P595-T598 PolarHBondContact O-N 3.34Å; P595-T598 PolarHBondContact O-OG1 2.88Å; E596-T598 PolarHBondContact O-N 2.88Å; E596-T598 VanDerWaalsContact O-N 3.12Å; T598-C600 PolarHBondContact O-N 2.93Å; T598-P623 CarbonylContact O-C 3.45Å; T598-P623 WeakPolarHBondContact O-CA 3.32Å; T598-V624 PolarHBondContact O-N 3.18Å; T598-C665 HydrophobicContact CG2-CB 4.28Å
599	K	85.2	Confident	81.1	Confident	158 Å²	158	52.5 Å²	52.5	69%	0.687	25%	0.25	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	119.2	179	-67.4	-176	-178.1	178.3	0	108.7	H597	H597-K599 PolarHBondContact O-N 2.89Å
600	C	89.3	Confident	80.5	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	164.1	176	-54.2	0	0	0	0	109.9	T598 H621 V622 V624 L663 A664 C665	T598-C600 PolarHBondContact O-N 2.93Å; C600-H621 CarbonylContact O-C 3.6Å; C600-H621 VanDerWaalsContact O-CA 3.28Å; C600-H621 WeakPolarHBondContact O-CA 3.47Å; C600-V622 PolarHBondContact N-O 2.91Å; C600-V622 PolarHBondContact O-N 2.86Å; C600-V624 WeakPolarHBondContact SG-CG2 3.2Å; C600-L663 HydrophobicContact CB-CD1 3.66Å; C600-L663 HydrophobicContact CB-CG 4.1Å; C600-A664 CarbonylContact C-O 3.51Å; C600-A664 VanDerWaalsContact CA-O 3.31Å; C600-A664 WeakPolarHBondContact CA-O 3.24Å; C600-A664 WeakPolarHBondContact CB-O 3.43Å; C600-C665 HydrophobicContact CB-CB 4.03Å; C600-C665 WeakPolarHBondContact CB-SG 3.28Å; C600-C665 WeakPolarHBondContact SG-CB 3.1Å; C600-C665 CovalentContact SG-SG 2.02Å; C600-C665 PolarHBondContact SG-SG 2.96Å
601	E	89.3	Confident	80.2	Confident	6 Å²	6	56.1 Å²	56.1	3%	0.028	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	127.5	-175.2	-166.7	-175.8	95.4	0	0	108.7	R471 V619 A620 L663 A664 W671	R471-E601 IonicContact CZ-OE2 3.76Å; R471-E601 IonicContact NH1-OE1 3.57Å; R471-E601 PolarHBondContact NH1-OE1 3.25Å; R471-E601 IonicContact NH1-OE2 3.49Å; R471-E601 PolarHBondContact NH1-OE2 3.14Å; R471-E601 IonicContact NH2-OE2 2.64Å; E601-V619 HydrophobicContact CG-CB 4.4Å; E601-V619 HydrophobicContact CG-CG1 3.28Å; E601-V619 HydrophobicContact CG-CG2 4.38Å; E601-V619 WeakPolarHBondContact OE2-CG1 3.44Å; E601-A620 CarbonylContact C-O 3.49Å; E601-A620 WeakPolarHBondContact CA-O 3.29Å; E601-L663 CarbonylContact O-C 3.58Å; E601-L663 WeakPolarHBondContact O-CA 3.27Å; E601-A664 PolarHBondContact N-O 2.97Å; E601-A664 PolarHBondContact O-N 3.06Å; E601-W671 HydrophobicContact CB-CH2 3.96Å; E601-W671 HydrophobicContact CB-CZ3 3.49Å; E601-W671 VanDerWaalsContact CB-CZ3 3.49Å; E601-W671 HydrophobicContact CG-CZ3 4.41Å
602	I	89.1	Confident	80	Confident	10 Å²	10	53.9 Å²	53.9	5%	0.051	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	143.1	163.8	58.9	173.7	0	0	0	108.9	V619 A620 V622 A654 P662 L663 I677 F692	I602-V619 WeakPolarHBondContact O-CA 3.47Å; I602-A620 HydrophobicContact CD1-CB 3.99Å; I602-A620 HydrophobicContact CG1-CB 3.64Å; I602-A620 WeakPolarHBondContact CG1-O 3.26Å; I602-A620 PolarHBondContact N-O 2.93Å; I602-A620 PolarHBondContact O-N 3.09Å; I602-V622 HydrophobicContact CG2-CG2 4.12Å; I602-A654 HydrophobicContact CD1-CB 4.24Å; I602-P662 WeakPolarHBondContact CA-O 3.41Å; I602-L663 HydrophobicContact CG2-CB 4.26Å; I602-L663 HydrophobicContact CG2-CD1 3.42Å; I602-L663 VanDerWaalsContact CG2-CD1 3.42Å; I602-L663 HydrophobicContact CG2-CG 4.46Å; I602-I677 HydrophobicContact CB-CD1 4.35Å; I602-F692 HydrophobicContact CG2-CE1 3.72Å; I602-F692 HydrophobicContact CG2-CZ 3.94Å
603	A	88.8	Confident	79.8	Confident	3 Å²	3	54.2 Å²	54.2	3%	0.025	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	138.6	179.5	0	0	0	0	0	111.3	T493 L617 N618 V619 P662	T493-A603 HydrophobicContact CG2-CB 4.46Å; A603-L617 HydrophobicContact CB-CD1 4.36Å; A603-N618 WeakPolarHBondContact CA-O 3.42Å; A603-V619 HydrophobicContact CB-CG2 3.84Å; A603-P662 HydrophobicContact CB-CG 4.24Å
604	G	88.3	Confident	79.5	Confident	6 Å²	6	53.2 Å²	53.2	6%	0.062	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.7	175.9	177	0	0	0	0	0	115.3	N618 D658	G604-N618 PolarHBondContact N-O 3.4Å; G604-N618 PolarHBondContact O-N 2.83Å; G604-D658 VanDerWaalsContact C-OD1 3.27Å; G604-D658 VanDerWaalsContact CA-OD1 3.24Å; G604-D658 WeakPolarHBondContact CA-OD1 3.34Å
605	W	86.7	Confident	79.3	Confident	3 Å²	3	56.3 Å²	56.3	1%	0.011	31%	0.312	C	S	.	.			trans	-112.5	24.5	179.7	-62.2	-87.7	0	0	0	112.2	T493 H503 L539 R541 L617 D658	T493-W605 HydrophobicContact CG2-CH2 4.06Å; T493-W605 HydrophobicContact CG2-CZ3 3.74Å; H503-W605 AromaticContact CE1-CE3 3.96Å; L539-W605 PolarHBondContact O-NE1 2.87Å; R541-W605 HydrophobicContact CB-CB 4.1Å; R541-W605 HydrophobicContact CB-CG 3.96Å; R541-W605 HydrophobicContact CG-CB 3.82Å; R541-W605 HydrophobicContact CG-CG 4.08Å; W605-L617 HydrophobicContact CD2-CD1 3.82Å; W605-L617 HydrophobicContact CE3-CD1 4.01Å; W605-L617 HydrophobicContact CG-CD1 4.46Å; W605-L617 HydrophobicContact CH2-CD1 3.91Å; W605-L617 HydrophobicContact CH2-CD2 4.47Å; W605-L617 HydrophobicContact CZ2-CB 3.91Å; W605-L617 HydrophobicContact CZ2-CD1 3.72Å; W605-L617 HydrophobicContact CZ2-CD2 4.15Å; W605-L617 HydrophobicContact CZ2-CG 4.14Å; W605-L617 HydrophobicContact CZ3-CD1 4.05Å; W605-D658 PolarHBondContact N-OD1 2.02Å
606	G	78.8	Confident	79.4	Confident	5 Å²	5	54.2 Å²	54.2	5%	0.052	30%	0.298	C	S	.	.			trans	-69.5	174.1	-177.4	0	0	0	0	0	114.7	T608 E656 D658	G606-T608 PolarHBondContact O-N 2.89Å; G606-E656 CarbonylContact C-O 3.32Å; G606-E656 WeakPolarHBondContact CA-O 3.4Å; G606-D658 VanDerWaalsContact CA-CG 3.49Å; G606-D658 WeakPolarHBondContact CA-OD1 3.33Å; G606-D658 PolarHBondContact N-OD1 2.93Å
607	E	75.1	Confident	79.4	Confident	77 Å²	77	50 Å²	50	36%	0.36	28%	0.279	S	S	.	.			trans	-56.8	124.1	178.3	174.5	59.7	-131	0	0	111.1	R609 E614 C655 E656	E607-R609 HydrophobicContact CG-CG 4.26Å; E607-R609 WeakPolarHBondContact OE1-CA 3.44Å; E607-R609 PolarHBondContact OE1-N 2.97Å; E607-E614 VanDerWaalsContact OE1-OE1 3.1Å; E607-C655 HydrophobicContact CB-CB 4.19Å; E607-C655 VanDerWaalsContact O-CB 3.3Å; E607-C655 WeakPolarHBondContact O-CB 3.28Å; E607-E656 PolarHBondContact N-O 2.83Å
608	T	68.6	Low	79.2	Confident	20 Å²	20	45.4 Å²	45.4	12%	0.123	26%	0.259	C	S	.	.			trans	-93.1	-4.9	-176.7	65	0	0	0	0	112.7	G606 G610 T611 G612 E614	G606-T608 PolarHBondContact O-N 2.89Å; T608-G610 PolarHBondContact O-N 3.22Å; T608-G610 VanDerWaalsContact O-N 3.14Å; T608-G610 PolarHBondContact OG1-N 3.29Å; T608-T611 PolarHBondContact O-N 3.43Å; T608-T611 PolarHBondContact O-OG1 2.84Å; T608-G612 PolarHBondContact OG1-N 3.29Å; T608-G612 PolarHBondContact OG1-O 2.88Å; T608-E614 HydrophobicContact CG2-CG 3.5Å; T608-E614 VanDerWaalsContact CG2-CG 3.5Å; T608-E614 PolarHBondContact N-OE1 2.98Å; T608-E614 WeakPolarHBondContact OG1-CG 3.29Å; T608-E614 PolarHBondContact OG1-OE1 3.28Å
609	R	68.9	Low	79.1	Confident	141 Å²	141	45.5 Å²	45.5	53%	0.532	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	31.2	-172.9	-60.1	-176.2	166.2	177.8	-0.4	112.7	E607 T611 C683	E607-R609 HydrophobicContact CG-CG 4.26Å; E607-R609 WeakPolarHBondContact OE1-CA 3.44Å; E607-R609 PolarHBondContact OE1-N 2.97Å; R609-T611 VanDerWaalsContact C-N 3.35Å; R609-C683 VanDerWaalsContact CZ-O 3.25Å; R609-C683 PolarHBondContact NH1-O 2.98Å; R609-C683 PolarHBondContact NH2-O 3.26Å; R609-C683 PolarHBondContact NH2-SG 2.99Å
610	G	61.3	Low	79	Confident	73 Å²	73	39.2 Å²	39.2	75%	0.753	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.6	11.7	-179.4	0	0	0	0	0	115.5	T608	T608-G610 PolarHBondContact O-N 3.22Å; T608-G610 VanDerWaalsContact O-N 3.14Å; T608-G610 PolarHBondContact OG1-N 3.29Å
611	T	65.4	Low	78.7	Confident	130 Å²	130	44.9 Å²	44.9	80%	0.798	26%	0.263	S	S	*	.	S	Bend	trans	-96.8	-7.2	178.5	67.8	0	0	0	0	114.2	T608 R609	T608-T611 PolarHBondContact O-N 3.43Å; T608-T611 PolarHBondContact O-OG1 2.84Å; R609-T611 VanDerWaalsContact C-N 3.35Å
612	G	67.4	Low	78.5	Confident	34 Å²	34	44.7 Å²	44.7	35%	0.351	26%	0.262	S	S	.	.	S	Bend	trans	-149.3	-178	-175.5	0	0	0	0	0	112.8	T608	T608-G612 PolarHBondContact OG1-N 3.29Å; T608-G612 PolarHBondContact OG1-O 2.88Å
613	D	71.9	Confident	78.5	Confident	60 Å²	60	45.1 Å²	45.1	32%	0.321	27%	0.265	S	S	.	.			trans	-96.6	111.1	176.3	-176.1	-8.3	0	0	0	110	T615 V616 N618	D613-T615 VanDerWaalsContact CG-OG1 3.26Å; D613-T615 PolarHBondContact O-N 3.16Å; D613-T615 VanDerWaalsContact OD1-CB 3.29Å; D613-T615 WeakPolarHBondContact OD1-CB 3.34Å; D613-T615 WeakPolarHBondContact OD1-CG2 3.4Å; D613-T615 PolarHBondContact OD1-N 3.43Å; D613-T615 PolarHBondContact OD1-OG1 3.35Å; D613-T615 PolarHBondContact OD2-OG1 2.99Å; D613-V616 HydrophobicContact CB-CG2 3.83Å; D613-N618 PolarHBondContact O-ND2 3.32Å
614	E	73.5	Confident	78.6	Confident	51 Å²	51	45.1 Å²	45.1	24%	0.238	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-6.7	-179.5	-70.3	171.3	-166.8	0	0	113.9	R541 E607 T608 V616	R541-E614 WeakPolarHBondContact CD-O 2.97Å; R541-E614 PolarHBondContact NH1-O 3.01Å; E607-E614 VanDerWaalsContact OE1-OE1 3.1Å; T608-E614 HydrophobicContact CG2-CG 3.5Å; T608-E614 VanDerWaalsContact CG2-CG 3.5Å; T608-E614 PolarHBondContact N-OE1 2.98Å; T608-E614 WeakPolarHBondContact OG1-CG 3.29Å; T608-E614 PolarHBondContact OG1-OE1 3.28Å; E614-V616 VanDerWaalsContact C-N 3.34Å
615	T	80.1	Confident	78.7	Confident	72 Å²	72	45.1 Å²	45.1	44%	0.442	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-11.4	178.5	72.3	0	0	0	0	112.5	F540 R541 D613	F540-T615 CarbonylContact C-O 3.56Å; F540-T615 WeakPolarHBondContact CA-O 2.99Å; R541-T615 PolarHBondContact N-O 2.89Å; D613-T615 VanDerWaalsContact CG-OG1 3.26Å; D613-T615 PolarHBondContact O-N 3.16Å; D613-T615 VanDerWaalsContact OD1-CB 3.29Å; D613-T615 WeakPolarHBondContact OD1-CB 3.34Å; D613-T615 WeakPolarHBondContact OD1-CG2 3.4Å; D613-T615 PolarHBondContact OD1-N 3.43Å; D613-T615 PolarHBondContact OD1-OG1 3.35Å; D613-T615 PolarHBondContact OD2-OG1 2.99Å
616	V	83.9	Confident	78.9	Confident	23 Å²	23	46.3 Å²	46.3	14%	0.139	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-127.5	159.7	-178.1	-62.6	0	0	0	0	112.1	L539 F540 D613 E614 N618	L539-V616 CarbonylContact O-C 3.46Å; L539-V616 VanDerWaalsContact O-CA 3.27Å; L539-V616 WeakPolarHBondContact O-CA 3.36Å; F540-V616 HydrophobicContact CD1-CG1 3.85Å; F540-V616 HydrophobicContact CE1-CG1 3.94Å; D613-V616 HydrophobicContact CB-CG2 3.83Å; E614-V616 VanDerWaalsContact C-N 3.34Å; V616-N618 PolarHBondContact O-N 3.26Å; V616-N618 PolarHBondContact O-ND2 3.38Å
617	L	83.9	Confident	79.4	Confident	4 Å²	4	47.4 Å²	47.4	2%	0.021	28%	0.277	C	S	.	.			trans	-69.4	118.8	179.3	-178.4	62.6	0	0	0	109	G488 T493 L539 A603 W605	G488-L617 PolarHBondContact N-O 3.49Å; G488-L617 WeakPolarHBondContact O-CD2 3.47Å; T493-L617 HydrophobicContact CG2-CD1 4.1Å; L539-L617 HydrophobicContact CD2-CB 4.41Å; L539-L617 HydrophobicContact CD2-CD2 4.27Å; L539-L617 PolarHBondContact O-N 3.35Å; A603-L617 HydrophobicContact CB-CD1 4.36Å; W605-L617 HydrophobicContact CD2-CD1 3.82Å; W605-L617 HydrophobicContact CE3-CD1 4.01Å; W605-L617 HydrophobicContact CG-CD1 4.46Å; W605-L617 HydrophobicContact CH2-CD1 3.91Å; W605-L617 HydrophobicContact CH2-CD2 4.47Å; W605-L617 HydrophobicContact CZ2-CB 3.91Å; W605-L617 HydrophobicContact CZ2-CD1 3.72Å; W605-L617 HydrophobicContact CZ2-CD2 4.15Å; W605-L617 HydrophobicContact CZ2-CG 4.14Å; W605-L617 HydrophobicContact CZ3-CD1 4.05Å
618	N	82.7	Confident	80	Confident	43 Å²	43	48.6 Å²	48.6	23%	0.23	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	143.3	177.3	-70	-81.3	0	0	0	110	A603 G604 D613 V616	A603-N618 WeakPolarHBondContact CA-O 3.42Å; G604-N618 PolarHBondContact N-O 3.4Å; G604-N618 PolarHBondContact O-N 2.83Å; D613-N618 PolarHBondContact O-ND2 3.32Å; V616-N618 PolarHBondContact O-N 3.26Å; V616-N618 PolarHBondContact O-ND2 3.38Å
619	V	83.6	Confident	81.1	Confident	36 Å²	36	51 Å²	51	22%	0.218	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	135.1	176.2	158.2	0	0	0	0	109.4	E601 I602 A603	E601-V619 HydrophobicContact CG-CB 4.4Å; E601-V619 HydrophobicContact CG-CG1 3.28Å; E601-V619 HydrophobicContact CG-CG2 4.38Å; E601-V619 WeakPolarHBondContact OE2-CG1 3.44Å; I602-V619 WeakPolarHBondContact O-CA 3.47Å; A603-V619 HydrophobicContact CB-CG2 3.84Å
620	A	81.6	Confident	82.1	Confident	26 Å²	26	44.2 Å²	44.2	22%	0.215	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	136.7	179.4	0	0	0	0	0	111.6	E601 I602 V652	E601-A620 CarbonylContact C-O 3.49Å; E601-A620 WeakPolarHBondContact CA-O 3.29Å; I602-A620 HydrophobicContact CD1-CB 3.99Å; I602-A620 HydrophobicContact CG1-CB 3.64Å; I602-A620 WeakPolarHBondContact CG1-O 3.26Å; I602-A620 PolarHBondContact N-O 2.93Å; I602-A620 PolarHBondContact O-N 3.09Å; A620-V652 HydrophobicContact CB-CG1 3.38Å
621	H	84.1	Confident	83.5	Confident	120 Å²	120	42.4 Å²	42.4	56%	0.556	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	128.4	177.6	-65.8	84.9	0	0	0	110.7	C600	C600-H621 CarbonylContact O-C 3.6Å; C600-H621 VanDerWaalsContact O-CA 3.28Å; C600-H621 WeakPolarHBondContact O-CA 3.47Å
622	V	85.4	Confident	84.7	Confident	2 Å²	2	45.4 Å²	45.4	1%	0.012	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	128	-177.8	-69.5	0	0	0	0	110.1	C600 I602 T645 V652 L663	C600-V622 PolarHBondContact N-O 2.91Å; C600-V622 PolarHBondContact O-N 2.86Å; I602-V622 HydrophobicContact CG2-CG2 4.12Å; V622-T645 HydrophobicContact CB-CG2 4.34Å; V622-T645 HydrophobicContact CG2-CG2 3.87Å; V622-V652 HydrophobicContact CG1-CG1 4.05Å; V622-L663 HydrophobicContact CG2-CD1 3.63Å
623	P	88.4	Confident	85.7	Confident	18 Å²	18	49.1 Å²	49.1	12%	0.117	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	141	177.6	33.9	-35.9	0	0	0	110.8	T598 T645 N646 F648	T598-P623 CarbonylContact O-C 3.45Å; T598-P623 WeakPolarHBondContact O-CA 3.32Å; P623-T645 CarbonylContact O-C 3.56Å; P623-T645 WeakPolarHBondContact O-CA 3.43Å; P623-T645 VanDerWaalsContact O-CB 3.25Å; P623-T645 WeakPolarHBondContact O-CB 3.34Å; P623-N646 HydrophobicContact CG-CB 3.86Å; P623-N646 PolarHBondContact O-N 2.87Å; P623-F648 HydrophobicContact CG-CD2 3.81Å; P623-F648 HydrophobicContact CG-CE2 3.86Å
624	V	90.9	Very high	86.4	Confident	4 Å²	4	48 Å²	48	2%	0.024	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	143.2	172.8	176.6	0	0	0	0	110.7	V594 H597 T598 C600 M643 T645	V594-V624 HydrophobicContact CB-CG1 4.32Å; V594-V624 HydrophobicContact CB-CG2 4.29Å; V594-V624 HydrophobicContact CG1-CB 4.4Å; V594-V624 HydrophobicContact CG1-CG1 4.48Å; V594-V624 HydrophobicContact CG1-CG2 3.82Å; H597-V624 PolarHBondContact N-O 3.23Å; T598-V624 PolarHBondContact O-N 3.18Å; C600-V624 WeakPolarHBondContact SG-CG2 3.2Å; V624-M643 HydrophobicContact CG1-CE 4.35Å; V624-M643 HydrophobicContact CG2-CE 3.86Å; V624-T645 HydrophobicContact CG2-CG2 4.36Å
625	I	91.6	Very high	87	Confident	6 Å²	6	55.9 Å²	55.9	3%	0.031	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	152.2	168.9	62.7	171.8	0	0	0	109.4	C630 C644 N646 P689	I625-C630 HydrophobicContact CD1-CB 3.94Å; I625-C630 HydrophobicContact CG1-CB 4.33Å; I625-C644 HydrophobicContact CD1-CB 4.03Å; I625-C644 HydrophobicContact CG1-CB 3.61Å; I625-C644 PolarHBondContact N-O 2.79Å; I625-N646 HydrophobicContact CG2-CB 3.77Å; I625-P689 HydrophobicContact CD1-CB 3.65Å; I625-P689 HydrophobicContact CD1-CG 3.82Å
626	S	88.9	Confident	87.3	Confident	28 Å²	28	55.1 Å²	55.1	20%	0.196	28%	0.275	C	S	.	.			trans	-62.1	150.3	176.3	53.5	0	0	0	0	112.2	E596 T628 E629 C630	E596-S626 WeakPolarHBondContact OE1-CB 3.24Å; E596-S626 PolarHBondContact OE1-OG 2.57Å; E596-S626 VanDerWaalsContact OE2-CB 3.26Å; E596-S626 WeakPolarHBondContact OE2-CB 3.35Å; E596-S626 PolarHBondContact OE2-N 3.35Å; E596-S626 VanDerWaalsContact OE2-N 3.11Å; E596-S626 PolarHBondContact OE2-OG 3.35Å; S626-T628 PolarHBondContact O-N 2.8Å; S626-E629 PolarHBondContact O-N 3.18Å; S626-E629 VanDerWaalsContact O-N 3.15Å; S626-E629 WeakPolarHBondContact OG-CB 3.43Å; S626-E629 PolarHBondContact OG-N 2.86Å; S626-C630 WeakPolarHBondContact O-CB 3.36Å; S626-C630 PolarHBondContact O-N 2.89Å
627	N	89.6	Confident	87.4	Confident	27 Å²	27	63 Å²	63	14%	0.144	30%	0.302	C	S	.	.	H	α-helix	trans	-59.5	-29.7	171.7	-76.1	30.2	0	0	0	111.3	N631 R639 E642 R694	N627-N631 WeakPolarHBondContact O-CB 3.33Å; N627-N631 PolarHBondContact O-N 3.18Å; N627-N631 PolarHBondContact O-ND2 2.74Å; N627-N631 VanDerWaalsContact O-ND2 3.12Å; N627-R639 PolarHBondContact ND2-O 3.27Å; N627-E642 PolarHBondContact ND2-O 3.17Å; N627-E642 PolarHBondContact OD1-O 2.73Å; N627-R694 PolarHBondContact OD1-NH2 3.28Å
628	T	88.9	Confident	87.6	Confident	102 Å²	102	63.3 Å²	63.3	63%	0.626	30%	0.304	S	S	*	.	H	α-helix	trans	-62.6	-48.9	174.5	-54.5	0	0	0	0	111.5	S626 N631 R632	S626-T628 PolarHBondContact O-N 2.8Å; T628-N631 PolarHBondContact O-N 3.01Å; T628-R632 PolarHBondContact O-N 3.11Å
629	E	90.6	Very high	87.8	Confident	70 Å²	70	67.6 Å²	67.6	33%	0.327	32%	0.317	S	S	.	.	H	α-helix	trans	-65.1	-46.2	175.8	-174.3	175.5	-172	0	0	111.3	S626 N631 R632	S626-E629 PolarHBondContact O-N 3.18Å; S626-E629 VanDerWaalsContact O-N 3.15Å; S626-E629 WeakPolarHBondContact OG-CB 3.43Å; S626-E629 PolarHBondContact OG-N 2.86Å; E629-N631 VanDerWaalsContact C-N 3.25Å; E629-N631 PolarHBondContact O-N 3.4Å; E629-R632 VanDerWaalsContact O-CB 3.27Å; E629-R632 WeakPolarHBondContact O-CB 3.3Å; E629-R632 PolarHBondContact O-N 3.32Å
630	C	90.4	Very high	87.8	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-57.2	-39.7	177.6	-164.4	0	0	0	0	112.2	I625 S626 R632 Y633 F634 C644	I625-C630 HydrophobicContact CD1-CB 3.94Å; I625-C630 HydrophobicContact CG1-CB 4.33Å; S626-C630 WeakPolarHBondContact O-CB 3.36Å; S626-C630 PolarHBondContact O-N 2.89Å; C630-R632 PolarHBondContact O-N 2.79Å; C630-Y633 WeakPolarHBondContact O-CB 3.4Å; C630-Y633 PolarHBondContact O-N 2.68Å; C630-Y633 VanDerWaalsContact O-N 3.07Å; C630-F634 WeakPolarHBondContact O-CD2 3.49Å; C630-F634 PolarHBondContact O-N 3.1Å; C630-F634 VanDerWaalsContact O-N 3.11Å; C630-F634 VanDerWaalsContact SG-CD2 3.58Å; C630-C644 HydrophobicContact CB-CB 3.48Å; C630-C644 VanDerWaalsContact CB-CB 3.48Å; C630-C644 WeakPolarHBondContact CB-SG 3.41Å; C630-C644 WeakPolarHBondContact SG-CB 3.32Å; C630-C644 CovalentContact SG-SG 2.03Å; C630-C644 PolarHBondContact SG-SG 3.38Å
631	N	91.7	Very high	88	Confident	34 Å²	34	70.7 Å²	70.7	18%	0.182	33%	0.325	C	S	.	.	H	α-helix	trans	-69.8	-15.7	178.7	-88.9	-43.3	0	0	0	114.4	N627 T628 E629 Y633 R635 G636 R637 V638	N627-N631 WeakPolarHBondContact O-CB 3.33Å; N627-N631 PolarHBondContact O-N 3.18Å; N627-N631 PolarHBondContact O-ND2 2.74Å; N627-N631 VanDerWaalsContact O-ND2 3.12Å; T628-N631 PolarHBondContact O-N 3.01Å; E629-N631 VanDerWaalsContact C-N 3.25Å; E629-N631 PolarHBondContact O-N 3.4Å; N631-Y633 PolarHBondContact O-N 2.91Å; N631-R635 VanDerWaalsContact O-CA 3.3Å; N631-R635 WeakPolarHBondContact O-CA 3.42Å; N631-R635 PolarHBondContact O-N 2.78Å; N631-G636 PolarHBondContact O-N 3.25Å; N631-G636 VanDerWaalsContact O-N 3.15Å; N631-G636 WeakPolarHBondContact OD1-CA 3.42Å; N631-G636 PolarHBondContact OD1-N 3.45Å; N631-R637 PolarHBondContact OD1-N 2.79Å; N631-R637 VanDerWaalsContact OD1-N 3.08Å; N631-V638 PolarHBondContact ND2-O 2.85Å; N631-V638 WeakPolarHBondContact OD1-CB 3.44Å; N631-V638 PolarHBondContact OD1-N 2.01Å
632	R	90.1	Very high	88.4	Confident	193 Å²	193	67 Å²	67	73%	0.728	31%	0.308	S	S	*	.	H	α-helix	trans	-62.1	-37.6	168.1	-62.3	179.3	-179.8	146.2	0.1	110.9	T628 E629 C630	T628-R632 PolarHBondContact O-N 3.11Å; E629-R632 VanDerWaalsContact O-CB 3.27Å; E629-R632 WeakPolarHBondContact O-CB 3.3Å; E629-R632 PolarHBondContact O-N 3.32Å; C630-R632 PolarHBondContact O-N 2.79Å
633	Y	87.3	Confident	88.8	Confident	112 Å²	112	67 Å²	67	44%	0.439	31%	0.308	S	S	.	.	H	α-helix	trans	-79.1	-48.3	176.2	-171.6	-90.9	0	0	0	111.9	C630 N631 R635 Q688	C630-Y633 WeakPolarHBondContact O-CB 3.4Å; C630-Y633 PolarHBondContact O-N 2.68Å; C630-Y633 VanDerWaalsContact O-N 3.07Å; N631-Y633 PolarHBondContact O-N 2.91Å; Y633-R635 VanDerWaalsContact C-N 3.3Å; Y633-R635 PolarHBondContact O-N 2.74Å; Y633-Q688 HydrophobicContact CD1-CG 4.4Å; Y633-Q688 HydrophobicContact CE1-CB 4.23Å; Y633-Q688 HydrophobicContact CE1-CG 3.61Å
634	F	86.5	Confident	89	Confident	36 Å²	36	66.1 Å²	66.1	16%	0.158	30%	0.302	C	S	.	.	H	α-helix	trans	-85.1	3.9	-174.8	-68.9	-72.3	0	0	0	115	C630 G636 R637 V638 M680 Q688 P689 I691	C630-F634 WeakPolarHBondContact O-CD2 3.49Å; C630-F634 PolarHBondContact O-N 3.1Å; C630-F634 VanDerWaalsContact O-N 3.11Å; C630-F634 VanDerWaalsContact SG-CD2 3.58Å; F634-G636 PolarHBondContact O-N 2.84Å; F634-R637 WeakPolarHBondContact O-CB 3.35Å; F634-R637 WeakPolarHBondContact O-CD 3.23Å; F634-R637 VanDerWaalsContact O-CG 3.28Å; F634-R637 WeakPolarHBondContact O-CG 3.31Å; F634-R637 PolarHBondContact O-N 3.13Å; F634-V638 HydrophobicContact CB-CG2 3.76Å; F634-V638 HydrophobicContact CD2-CG2 3.66Å; F634-V638 HydrophobicContact CG-CG2 3.88Å; F634-M680 HydrophobicContact CZ-CE 4.22Å; F634-Q688 HydrophobicContact CZ-CG 4.35Å; F634-P689 HydrophobicContact CE2-CB 4.17Å; F634-P689 HydrophobicContact CE2-CG 4.44Å; F634-P689 WeakPolarHBondContact CZ-O 3.11Å; F634-I691 HydrophobicContact CD1-CD1 4.13Å; F634-I691 HydrophobicContact CD2-CD1 4.01Å; F634-I691 HydrophobicContact CD2-CG1 4.42Å; F634-I691 HydrophobicContact CE1-CD1 3.84Å; F634-I691 HydrophobicContact CE2-CD1 3.7Å; F634-I691 HydrophobicContact CE2-CG1 3.8Å; F634-I691 HydrophobicContact CG-CD1 4.22Å; F634-I691 HydrophobicContact CZ-CD1 3.61Å; F634-I691 HydrophobicContact CZ-CG1 3.93Å
635	R	87.8	Confident	88.9	Confident	217 Å²	217	65.9 Å²	65.9	82%	0.819	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	48.3	177.7	-53.9	-178.9	-176.6	-178.1	-0.5	113.1	N631 Y633 R637	N631-R635 VanDerWaalsContact O-CA 3.3Å; N631-R635 WeakPolarHBondContact O-CA 3.42Å; N631-R635 PolarHBondContact O-N 2.78Å; Y633-R635 VanDerWaalsContact C-N 3.3Å; Y633-R635 PolarHBondContact O-N 2.74Å; R635-R637 VanDerWaalsContact C-N 3.33Å; R635-R637 PolarHBondContact O-N 3.17Å
636	G	84.9	Confident	88.5	Confident	57 Å²	57	68.1 Å²	68.1	59%	0.588	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	13.1	175.9	0	0	0	0	0	115.6	N631 F634	N631-G636 PolarHBondContact O-N 3.25Å; N631-G636 VanDerWaalsContact O-N 3.15Å; N631-G636 WeakPolarHBondContact OD1-CA 3.42Å; N631-G636 PolarHBondContact OD1-N 3.45Å; F634-G636 PolarHBondContact O-N 2.84Å
637	R	86.4	Confident	87.5	Confident	189 Å²	189	67 Å²	67	71%	0.713	31%	0.305	S	S	*	.			trans	-85.7	-18.7	-177.5	-67.4	177.7	-179.7	171.8	-0.2	114.5	N631 F634 R635	N631-R637 PolarHBondContact OD1-N 2.79Å; N631-R637 VanDerWaalsContact OD1-N 3.08Å; F634-R637 WeakPolarHBondContact O-CB 3.35Å; F634-R637 WeakPolarHBondContact O-CD 3.23Å; F634-R637 VanDerWaalsContact O-CG 3.28Å; F634-R637 WeakPolarHBondContact O-CG 3.31Å; F634-R637 PolarHBondContact O-N 3.13Å; R635-R637 VanDerWaalsContact C-N 3.33Å; R635-R637 PolarHBondContact O-N 3.17Å
638	V	87.4	Confident	85.9	Confident	10 Å²	10	71.9 Å²	71.9	6%	0.061	33%	0.325	C	S	.	.			trans	-77.4	124	179.7	-177.2	0	0	0	0	109.1	N631 F634 E642 I691	N631-V638 PolarHBondContact ND2-O 2.85Å; N631-V638 WeakPolarHBondContact OD1-CB 3.44Å; N631-V638 PolarHBondContact OD1-N 2.01Å; F634-V638 HydrophobicContact CB-CG2 3.76Å; F634-V638 HydrophobicContact CD2-CG2 3.66Å; F634-V638 HydrophobicContact CG-CG2 3.88Å; V638-E642 WeakPolarHBondContact CA-OE2 3.47Å; V638-E642 HydrophobicContact CG1-CB 3.87Å; V638-I691 HydrophobicContact CG2-CD1 3.91Å; V638-I691 HydrophobicContact CG2-CG1 4.42Å
639	R	87.4	Confident	83.9	Confident	133 Å²	133	76 Å²	76	50%	0.502	34%	0.337	S	S	.	.			trans	-93.6	168	-175.2	-61.9	-178.7	-176.2	177.4	5.5	111.7	E564 N627 N641 E642	E564-R639 IonicContact OE2-CZ 2.95Å; E564-R639 IonicContact OE2-NH1 3.94Å; E564-R639 PolarHBondContact OE2-NH1 3.46Å; E564-R639 IonicContact OE2-NH2 3.83Å; N627-R639 PolarHBondContact ND2-O 3.27Å; R639-N641 VanDerWaalsContact C-N 3.25Å; R639-N641 WeakPolarHBondContact CB-OD1 3.44Å; R639-N641 PolarHBondContact O-N 2.76Å; R639-E642 PolarHBondContact N-OE2 2.82Å; R639-E642 PolarHBondContact O-N 2.9Å; R639-E642 VanDerWaalsContact O-N 3.1Å
640	E	83.8	Confident	82.3	Confident	103 Å²	103	76.8 Å²	76.8	48%	0.481	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-29.8	178.9	-73.1	163.5	-167.7	0	0	113	K453 E642 R694	K453-E640 IonicContact NZ-OE1 3.43Å; K453-E640 PolarHBondContact NZ-OE1 3.09Å; K453-E640 IonicContact NZ-OE2 3.16Å; K453-E640 PolarHBondContact NZ-OE2 3.41Å; E640-E642 PolarHBondContact O-N 3.04Å; E640-R694 WeakPolarHBondContact O-CD 3.45Å; E640-R694 PolarHBondContact O-NE 3.12Å; E640-R694 VanDerWaalsContact O-NE 3.15Å
641	N	86.4	Confident	81	Confident	24 Å²	24	77.6 Å²	77.6	13%	0.128	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	5.8	175.6	69.7	-41.4	0	0	0	114.1	E564 R639 R694 V697 Y698	E564-N641 PolarHBondContact O-ND2 2.91Å; R639-N641 VanDerWaalsContact C-N 3.25Å; R639-N641 WeakPolarHBondContact CB-OD1 3.44Å; R639-N641 PolarHBondContact O-N 2.76Å; N641-R694 WeakPolarHBondContact O-CB 3.07Å; N641-R694 PolarHBondContact O-N 2.67Å; N641-V697 HydrophobicContact CB-CG1 4.22Å; N641-Y698 HydrophobicContact CB-CE2 4.23Å; N641-Y698 VanDerWaalsContact CB-OH 3.28Å; N641-Y698 WeakPolarHBondContact CB-OH 3.11Å; N641-Y698 PolarHBondContact ND2-OH 3.37Å
642	E	92.6	Very high	79.9	Confident	43 Å²	43	78.1 Å²	78.1	20%	0.201	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	153.6	174.8	-62.8	170.2	142.8	0	0	109.2	N627 V638 R639 E640 I691 F692 R694	N627-E642 PolarHBondContact ND2-O 3.17Å; N627-E642 PolarHBondContact OD1-O 2.73Å; V638-E642 WeakPolarHBondContact CA-OE2 3.47Å; V638-E642 HydrophobicContact CG1-CB 3.87Å; R639-E642 PolarHBondContact N-OE2 2.82Å; R639-E642 PolarHBondContact O-N 2.9Å; R639-E642 VanDerWaalsContact O-N 3.1Å; E640-E642 PolarHBondContact O-N 3.04Å; E642-I691 HydrophobicContact CB-CG2 3.95Å; E642-I691 HydrophobicContact CG-CG2 4.18Å; E642-F692 CarbonylContact C-O 3.43Å; E642-F692 VanDerWaalsContact CA-O 3.3Å; E642-F692 WeakPolarHBondContact CA-O 3.03Å; E642-R694 PolarHBondContact O-NE 3.11Å; E642-R694 PolarHBondContact O-NH2 2.86Å; E642-R694 VanDerWaalsContact O-NH2 3.11Å
643	M	92.9	Very high	78.9	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	155	171.9	71	179.2	-69.2	0	0	110.6	V594 V624 L663 E674 F692 R694	V594-M643 HydrophobicContact CB-CE 4.32Å; V594-M643 HydrophobicContact CG2-CE 3.97Å; V624-M643 HydrophobicContact CG1-CE 4.35Å; V624-M643 HydrophobicContact CG2-CE 3.86Å; M643-L663 HydrophobicContact CE-CD2 3.71Å; M643-L663 HydrophobicContact CG-CD2 4.34Å; M643-L663 HydrophobicContact SD-CD2 3.82Å; M643-E674 HydrophobicContact CE-CB 4.22Å; M643-E674 HydrophobicContact SD-CB 4.06Å; M643-F692 HydrophobicContact CG-CB 3.98Å; M643-F692 PolarHBondContact N-O 3.07Å; M643-F692 PolarHBondContact O-N 2.8Å; M643-R694 HydrophobicContact CB-CB 4.28Å; M643-R694 VanDerWaalsContact CB-NH2 3.32Å
644	C	92.1	Very high	78.4	Confident	0 Å²	0	65 Å²	65	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	149.1	-177.2	-63.5	0	0	0	0	113	I625 C630 N690	I625-C644 HydrophobicContact CD1-CB 4.03Å; I625-C644 HydrophobicContact CG1-CB 3.61Å; I625-C644 PolarHBondContact N-O 2.79Å; C630-C644 HydrophobicContact CB-CB 3.48Å; C630-C644 VanDerWaalsContact CB-CB 3.48Å; C630-C644 WeakPolarHBondContact CB-SG 3.41Å; C630-C644 WeakPolarHBondContact SG-CB 3.32Å; C630-C644 CovalentContact SG-SG 2.03Å; C630-C644 PolarHBondContact SG-SG 3.38Å; C644-N690 WeakPolarHBondContact CA-O 3.39Å
645	T	89.6	Confident	77.9	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	152.6	166.6	69.6	0	0	0	0	110.2	V622 P623 V624 L663 P689 N690 F692	V622-T645 HydrophobicContact CB-CG2 4.34Å; V622-T645 HydrophobicContact CG2-CG2 3.87Å; P623-T645 CarbonylContact O-C 3.56Å; P623-T645 WeakPolarHBondContact O-CA 3.43Å; P623-T645 VanDerWaalsContact O-CB 3.25Å; P623-T645 WeakPolarHBondContact O-CB 3.34Å; V624-T645 HydrophobicContact CG2-CG2 4.36Å; T645-L663 HydrophobicContact CG2-CD1 4.12Å; T645-L663 HydrophobicContact CG2-CD2 3.89Å; T645-P689 CarbonylContact O-C 3.54Å; T645-P689 VanDerWaalsContact O-CA 3.31Å; T645-P689 WeakPolarHBondContact O-CA 3.06Å; T645-P689 WeakPolarHBondContact O-CB 3.42Å; T645-N690 PolarHBondContact N-O 2.87Å; T645-N690 PolarHBondContact O-N 3.29Å; T645-F692 HydrophobicContact CG2-CD2 4.24Å; T645-F692 HydrophobicContact CG2-CE2 3.76Å; T645-F692 VanDerWaalsContact OG1-CE2 3.3Å; T645-F692 WeakPolarHBondContact OG1-CE2 3.4Å
646	N	83.4	Confident	77.3	Confident	53 Å²	53	59.4 Å²	59.4	28%	0.283	31%	0.311	S	S	.	.			trans	-75.1	141.6	175.8	-152.3	-12.5	0	0	0	110.2	P623 I625 F648	P623-N646 HydrophobicContact CG-CB 3.86Å; P623-N646 PolarHBondContact O-N 2.87Å; I625-N646 HydrophobicContact CG2-CB 3.77Å; N646-F648 PolarHBondContact O-N 3.07Å
647	S	68.6	Low	77.1	Confident	4 Å²	4	60.5 Å²	60.5	3%	0.028	30%	0.3	C	S	.	.			trans	-89.3	97.1	164.1	-169.6	0	0	0	0	106.6	V652 Q688	S647-V652 PolarHBondContact OG-N 2.03Å; S647-V652 PolarHBondContact OG-O 3.45Å; S647-Q688 WeakPolarHBondContact CB-O 3.07Å
648	F	56.1	Low	76.9	Confident	130 Å²	130	52.3 Å²	52.3	57%	0.57	27%	0.27	S	S	*	.			trans	-55	161.5	175.1	-116	-87	0	0	0	110.2	P623 N646 A650 G651	P623-F648 HydrophobicContact CG-CD2 3.81Å; P623-F648 HydrophobicContact CG-CE2 3.86Å; N646-F648 PolarHBondContact O-N 3.07Å; F648-A650 PolarHBondContact O-N 2.84Å; F648-G651 PolarHBondContact O-N 3.34Å; F648-G651 VanDerWaalsContact O-N 3.08Å
649	Q	46.7	Very low	77.1	Confident	187 Å²	187	53.5 Å²	53.5	87%	0.874	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44	-10.6	-171.3	-72.5	172.8	-22.1	0	0	118.2
650	A	56.6	Low	77.3	Confident	87 Å²	87	47.1 Å²	47.1	72%	0.719	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.4	2.6	179.1	0	0	0	0	0	115.6	F648 V652	F648-A650 PolarHBondContact O-N 2.84Å; A650-V652 HydrophobicContact CB-CG2 4.21Å
651	G	62.6	Low	77.8	Confident	17 Å²	17	42.2 Å²	42.2	18%	0.175	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	36.7	178.4	0	0	0	0	0	113.7	F648 G684	F648-G651 PolarHBondContact O-N 3.34Å; F648-G651 VanDerWaalsContact O-N 3.08Å; G651-G684 CarbonylContact C-O 3.29Å; G651-G684 VanDerWaalsContact C-O 3.29Å; G651-G684 WeakPolarHBondContact CA-O 3.1Å; G651-G684 CarbonylContact O-C 3.47Å; G651-G684 WeakPolarHBondContact O-CA 3.41Å
652	V	68.2	Low	78.2	Confident	45 Å²	45	41.1 Å²	41.1	27%	0.273	22%	0.221	S	C	.	.			trans	-77	132.6	179.9	-179.7	0	0	0	0	110.3	A620 V622 S647 A650 N690	A620-V652 HydrophobicContact CB-CG1 3.38Å; V622-V652 HydrophobicContact CG1-CG1 4.05Å; S647-V652 PolarHBondContact OG-N 2.03Å; S647-V652 PolarHBondContact OG-O 3.45Å; A650-V652 HydrophobicContact CB-CG2 4.21Å; V652-N690 PolarHBondContact O-ND2 2.85Å
653	G	70.4	Confident	78.4	Confident	21 Å²	21	39.1 Å²	39.1	22%	0.216	21%	0.212	C	C	.	.			trans	-179.4	165.4	176	0	0	0	0	0	112.5
654	A	76.1	Confident	78.4	Confident	9 Å²	9	39.1 Å²	39.1	7%	0.074	21%	0.212	C	C	.	.			trans	-84	138.3	178.4	0	0	0	0	0	111.4	I602 D658 I677 C683	I602-A654 HydrophobicContact CD1-CB 4.24Å; A654-D658 HydrophobicContact CB-CB 3.89Å; A654-I677 HydrophobicContact CB-CB 4.45Å; A654-I677 HydrophobicContact CB-CD1 3.89Å; A654-I677 HydrophobicContact CB-CG1 4.16Å; A654-I677 HydrophobicContact CB-CG2 3.41Å; A654-I677 VanDerWaalsContact CB-CG2 3.41Å; A654-C683 WeakPolarHBondContact O-CB 3.41Å
655	C	76.6	Confident	78.3	Confident	7 Å²	7	39.2 Å²	39.2	5%	0.047	21%	0.212	C	C	.	.			trans	-120.4	-168	-175.2	-77.9	0	0	0	0	111.8	E607 K657 D658 Y659 C683	E607-C655 HydrophobicContact CB-CB 4.19Å; E607-C655 VanDerWaalsContact O-CB 3.3Å; E607-C655 WeakPolarHBondContact O-CB 3.28Å; C655-K657 PolarHBondContact O-N 3.25Å; C655-D658 PolarHBondContact N-OD2 2.83Å; C655-D658 WeakPolarHBondContact O-CB 3.5Å; C655-D658 PolarHBondContact O-N 3.01Å; C655-D658 VanDerWaalsContact O-N 3.11Å; C655-Y659 VanDerWaalsContact O-CE1 3.25Å; C655-Y659 WeakPolarHBondContact O-CE1 2.99Å; C655-C683 VanDerWaalsContact CA-SG 3.58Å; C655-C683 HydrophobicContact CB-CB 3.84Å; C655-C683 WeakPolarHBondContact CB-SG 3.14Å; C655-C683 WeakPolarHBondContact SG-CB 3.2Å; C655-C683 CovalentContact SG-SG 2.03Å; C655-C683 PolarHBondContact SG-SG 2.85Å
656	E	74.6	Confident	77.9	Confident	128 Å²	128	44.3 Å²	44.3	60%	0.598	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.4	138.8	176.6	-66.9	-175.9	179.9	0	0	111	G606 E607 D658 Y659	G606-E656 CarbonylContact C-O 3.32Å; G606-E656 WeakPolarHBondContact CA-O 3.4Å; E607-E656 PolarHBondContact N-O 2.83Å; E656-D658 VanDerWaalsContact C-N 3.27Å; E656-D658 PolarHBondContact O-N 3.25Å; E656-Y659 HydrophobicContact CG-CE2 4.33Å
657	K	81.3	Confident	77.2	Confident	81 Å²	81	45 Å²	45	35%	0.352	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	-11.6	-173.1	-46.4	170.8	-178.1	167.2	0	116.7	H503 C505 G506 C655 Y659	H503-K657 PolarHBondContact NE2-O 3.49Å; C505-K657 CarbonylContact C-O 3.5Å; C505-K657 WeakPolarHBondContact CA-O 3.43Å; G506-K657 PolarHBondContact N-O 3.26Å; C655-K657 PolarHBondContact O-N 3.25Å; K657-Y659 VanDerWaalsContact C-N 3.28Å
658	D	82.3	Confident	77.1	Confident	17 Å²	17	48.8 Å²	48.8	9%	0.091	27%	0.271	C	S	.	.			trans	-79.1	-13	168.5	-64.5	-45.1	0	0	0	113.1	G604 W605 G606 A654 C655 E656 G660 G661 I677	G604-D658 VanDerWaalsContact C-OD1 3.27Å; G604-D658 VanDerWaalsContact CA-OD1 3.24Å; G604-D658 WeakPolarHBondContact CA-OD1 3.34Å; W605-D658 PolarHBondContact N-OD1 2.02Å; G606-D658 VanDerWaalsContact CA-CG 3.49Å; G606-D658 WeakPolarHBondContact CA-OD1 3.33Å; G606-D658 PolarHBondContact N-OD1 2.93Å; A654-D658 HydrophobicContact CB-CB 3.89Å; C655-D658 PolarHBondContact N-OD2 2.83Å; C655-D658 WeakPolarHBondContact O-CB 3.5Å; C655-D658 PolarHBondContact O-N 3.01Å; C655-D658 VanDerWaalsContact O-N 3.11Å; E656-D658 VanDerWaalsContact C-N 3.27Å; E656-D658 PolarHBondContact O-N 3.25Å; D658-G660 PolarHBondContact O-N 3.44Å; D658-G661 PolarHBondContact O-N 3.07Å; D658-I677 HydrophobicContact CB-CD1 4.23Å; D658-I677 HydrophobicContact CB-CG2 4.3Å
659	Y	90.4	Very high	77.9	Confident	34 Å²	34	50.2 Å²	50.2	13%	0.133	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	134.6	-174.2	-53.2	-35	0	0	0	111.8	C505 G506 C521 C655 E656 K657 G661 I677 P679	C505-Y659 WeakPolarHBondContact CB-O 3.31Å; C505-Y659 PolarHBondContact SG-O 2.87Å; G506-Y659 WeakPolarHBondContact CA-O 3.02Å; G506-Y659 PolarHBondContact N-O 3.29Å; C521-Y659 PolarHBondContact SG-O 3.07Å; C655-Y659 VanDerWaalsContact O-CE1 3.25Å; C655-Y659 WeakPolarHBondContact O-CE1 2.99Å; E656-Y659 HydrophobicContact CG-CE2 4.33Å; K657-Y659 VanDerWaalsContact C-N 3.28Å; Y659-G661 VanDerWaalsContact C-N 3.26Å; Y659-I677 HydrophobicContact CD1-CG2 4.07Å; Y659-P679 HydrophobicContact CD1-CB 4.42Å; Y659-P679 HydrophobicContact CD1-CG 4.06Å; Y659-P679 HydrophobicContact CD2-CB 4.4Å; Y659-P679 HydrophobicContact CD2-CG 3.72Å; Y659-P679 VanDerWaalsContact CE1-CA 3.4Å; Y659-P679 HydrophobicContact CE1-CB 4.03Å; Y659-P679 HydrophobicContact CE1-CG 4.15Å; Y659-P679 HydrophobicContact CE2-CB 3.95Å; Y659-P679 HydrophobicContact CE2-CG 3.75Å; Y659-P679 HydrophobicContact CG-CG 3.86Å
660	G	92.9	Very high	79.5	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	-11.5	-174	0	0	0	0	0	114.7	G506 G507 S517 D658 I677	G506-G660 VanDerWaalsContact C-C 3.48Å; G506-G660 CarbonylContact O-C 3.48Å; G506-G660 WeakPolarHBondContact O-CA 2.93Å; G507-G660 VanDerWaalsContact CA-O 3.25Å; G507-G660 WeakPolarHBondContact CA-O 3.44Å; S517-G660 WeakPolarHBondContact OG-CA 3.3Å; D658-G660 PolarHBondContact O-N 3.44Å; G660-I677 PolarHBondContact N-O 3.07Å
661	G	93.8	Very high	81.1	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.213	C	C	.	.			trans	-69.2	170.4	174.6	0	0	0	0	0	113.8	D658 Y659 I677	D658-G661 PolarHBondContact O-N 3.07Å; Y659-G661 VanDerWaalsContact C-N 3.26Å; G661-I677 WeakPolarHBondContact O-CG1 3.48Å; G661-I677 PolarHBondContact O-N 2.87Å
662	P	95.5	Very high	82.4	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	145.5	-173.6	28.3	-32.3	0	0	0	113.5	T493 S508 I602 A603 L673	T493-P662 VanDerWaalsContact OG1-CG 3.32Å; T493-P662 WeakPolarHBondContact OG1-CG 3.43Å; S508-P662 WeakPolarHBondContact OG-CA 3.45Å; S508-P662 VanDerWaalsContact OG-CB 3.29Å; S508-P662 WeakPolarHBondContact OG-CB 3.3Å; S508-P662 WeakPolarHBondContact OG-CD 3.48Å; I602-P662 WeakPolarHBondContact CA-O 3.41Å; A603-P662 HydrophobicContact CB-CG 4.24Å; P662-L673 HydrophobicContact CB-CD1 3.56Å
663	L	94.8	Very high	83.7	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	100.3	146.6	176.6	73.5	0	0	0	107.1	C600 E601 I602 V622 M643 T645 E674 G675 F692	C600-L663 HydrophobicContact CB-CD1 3.66Å; C600-L663 HydrophobicContact CB-CG 4.1Å; E601-L663 CarbonylContact O-C 3.58Å; E601-L663 WeakPolarHBondContact O-CA 3.27Å; I602-L663 HydrophobicContact CG2-CB 4.26Å; I602-L663 HydrophobicContact CG2-CD1 3.42Å; I602-L663 VanDerWaalsContact CG2-CD1 3.42Å; I602-L663 HydrophobicContact CG2-CG 4.46Å; V622-L663 HydrophobicContact CG2-CD1 3.63Å; M643-L663 HydrophobicContact CE-CD2 3.71Å; M643-L663 HydrophobicContact CG-CD2 4.34Å; M643-L663 HydrophobicContact SD-CD2 3.82Å; T645-L663 HydrophobicContact CG2-CD1 4.12Å; T645-L663 HydrophobicContact CG2-CD2 3.89Å; L663-E674 PolarHBondContact O-N 3.48Å; L663-G675 PolarHBondContact N-O 2.78Å; L663-G675 PolarHBondContact O-N 3.32Å; L663-G675 VanDerWaalsContact O-N 3.12Å; L663-F692 HydrophobicContact CB-CD1 3.88Å; L663-F692 HydrophobicContact CB-CE1 4.11Å; L663-F692 HydrophobicContact CB-CG 4.39Å; L663-F692 HydrophobicContact CD1-CE1 4.25Å; L663-F692 HydrophobicContact CD1-CZ 4.21Å; L663-F692 HydrophobicContact CD2-CB 4.29Å; L663-F692 HydrophobicContact CD2-CD1 4.1Å; L663-F692 HydrophobicContact CD2-CD2 3.83Å; L663-F692 HydrophobicContact CD2-CE1 4.4Å; L663-F692 HydrophobicContact CD2-CE2 4.18Å; L663-F692 HydrophobicContact CD2-CG 3.81Å; L663-F692 HydrophobicContact CD2-CZ 4.46Å; L663-F692 HydrophobicContact CG-CD1 4.45Å; L663-F692 HydrophobicContact CG-CE1 4.5Å
664	A	93.5	Very high	84.9	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	128.2	-176.2	0	0	0	0	0	110.6	W492 I585 C600 E601 W671 V672	W492-A664 HydrophobicContact CZ2-CB 4.31Å; I585-A664 HydrophobicContact CD1-CB 3.6Å; C600-A664 CarbonylContact C-O 3.51Å; C600-A664 VanDerWaalsContact CA-O 3.31Å; C600-A664 WeakPolarHBondContact CA-O 3.24Å; C600-A664 WeakPolarHBondContact CB-O 3.43Å; E601-A664 PolarHBondContact N-O 2.97Å; E601-A664 PolarHBondContact O-N 3.06Å; A664-W671 HydrophobicContact CB-CE3 3.75Å; A664-W671 HydrophobicContact CB-CZ3 4.32Å; A664-V672 CarbonylContact C-O 3.52Å; A664-V672 VanDerWaalsContact CA-O 3.26Å; A664-V672 WeakPolarHBondContact CA-O 3.3Å
665	C	89.5	Confident	85.8	Confident	3 Å²	3	33.8 Å²	33.8	2%	0.02	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	137	176.7	-52.9	0	0	0	0	109.4	T598 C600 V672 E674	T598-C665 HydrophobicContact CG2-CB 4.28Å; C600-C665 HydrophobicContact CB-CB 4.03Å; C600-C665 WeakPolarHBondContact CB-SG 3.28Å; C600-C665 WeakPolarHBondContact SG-CB 3.1Å; C600-C665 CovalentContact SG-SG 2.02Å; C600-C665 PolarHBondContact SG-SG 2.96Å; C665-V672 PolarHBondContact N-O 3.33Å; C665-V672 PolarHBondContact O-N 3.19Å; C665-E674 HydrophobicContact CB-CB 4.48Å; C665-E674 HydrophobicContact CB-CG 3.68Å; C665-E674 WeakPolarHBondContact SG-CG 3.33Å
666	Q	82.3	Confident	86.7	Confident	106 Å²	106	33.5 Å²	33.5	50%	0.495	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	122.1	176.4	-170.1	173.8	13.5	0	0	109.2	W671	Q666-W671 HydrophobicContact CB-CD2 4.42Å; Q666-W671 HydrophobicContact CB-CE3 4.41Å; Q666-W671 HydrophobicContact CB-CH2 4.3Å; Q666-W671 HydrophobicContact CB-CZ2 4.26Å; Q666-W671 HydrophobicContact CB-CZ3 4.36Å
667	N	69.3	Low	87.6	Confident	69 Å²	69	27.5 Å²	27.5	37%	0.369	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	113.6	175.5	-171.5	7.6	0	0	0	109.5	D669 C670 V672	N667-D669 PolarHBondContact O-N 3.31Å; N667-C670 PolarHBondContact N-O 3.45Å; N667-C670 PolarHBondContact O-N 3.04Å; N667-C670 VanDerWaalsContact O-N 3.11Å; N667-V672 HydrophobicContact CB-CG2 4.09Å
668	A	66.6	Low	88	Confident	83 Å²	83	24.4 Å²	24.4	69%	0.686	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.5	-97.5	-170.9	0	0	0	0	0	112.4
669	D	71.3	Confident	88	Confident	159 Å²	159	25.6 Å²	25.6	85%	0.85	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.8	6.6	-171.7	-63	-36.9	0	0	0	114.7	N667	N667-D669 PolarHBondContact O-N 3.31Å
670	C	82.1	Confident	87.3	Confident	7 Å²	7	25.5 Å²	25.5	5%	0.047	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	158.7	-178.3	71	0	0	0	0	113.4	F465 N667	F465-C670 HydrophobicContact CB-CB 4.22Å; F465-C670 WeakPolarHBondContact CD2-SG 3.23Å; N667-C670 PolarHBondContact N-O 3.45Å; N667-C670 PolarHBondContact O-N 3.04Å; N667-C670 VanDerWaalsContact O-N 3.11Å
671	W	88.4	Confident	86.2	Confident	11 Å²	11	37.4 Å²	37.4	4%	0.042	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	126.6	172.7	-71.2	85.2	0	0	0	111	G469 R471 W492 I585 C586 E601 A664 Q666	G469-W671 VanDerWaalsContact CA-O 3.25Å; G469-W671 WeakPolarHBondContact CA-O 3.34Å; G469-W671 PolarHBondContact O-N 3.49Å; R471-W671 VanDerWaalsContact CZ-CZ2 3.48Å; W492-W671 HydrophobicContact CH2-CB 3.26Å; W492-W671 AromaticContact CH2-CD1 3.49Å; W492-W671 VanDerWaalsContact CH2-CD1 3.49Å; W492-W671 AromaticContact CH2-CD2 3.83Å; W492-W671 HydrophobicContact CH2-CD2 3.83Å; W492-W671 AromaticContact CH2-CG 3.2Å; W492-W671 HydrophobicContact CH2-CG 3.2Å; W492-W671 HydrophobicContact CZ2-CB 3.65Å; W492-W671 AromaticContact CZ2-CD2 3.94Å; W492-W671 HydrophobicContact CZ2-CD2 3.94Å; W492-W671 HydrophobicContact CZ2-CE3 4.23Å; W492-W671 AromaticContact CZ2-CG 3.7Å; W492-W671 HydrophobicContact CZ2-CG 3.7Å; W492-W671 HydrophobicContact CZ3-CB 3.8Å; W492-W671 HydrophobicContact CZ3-CG 4.08Å; I585-W671 WeakPolarHBondContact CG1-O 3.32Å; C586-W671 WeakPolarHBondContact CB-O 3.47Å; C586-W671 PolarHBondContact N-O 3.49Å; C586-W671 VanDerWaalsContact N-O 3.15Å; E601-W671 HydrophobicContact CB-CH2 3.96Å; E601-W671 HydrophobicContact CB-CZ3 3.49Å; E601-W671 VanDerWaalsContact CB-CZ3 3.49Å; E601-W671 HydrophobicContact CG-CZ3 4.41Å; A664-W671 HydrophobicContact CB-CE3 3.75Å; A664-W671 HydrophobicContact CB-CZ3 4.32Å; Q666-W671 HydrophobicContact CB-CD2 4.42Å; Q666-W671 HydrophobicContact CB-CE3 4.41Å; Q666-W671 HydrophobicContact CB-CH2 4.3Å; Q666-W671 HydrophobicContact CB-CZ2 4.26Å; Q666-W671 HydrophobicContact CB-CZ3 4.36Å
672	V	91.3	Very high	85.1	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	133.8	-175.3	-174	0	0	0	0	109.8	F465 C586 P588 A664 C665 N667 E674	F465-V672 HydrophobicContact CE2-CG2 4.33Å; C586-V672 HydrophobicContact CB-CG2 4.14Å; P588-V672 VanDerWaalsContact CA-CG1 3.48Å; P588-V672 HydrophobicContact CB-CG1 3.65Å; P588-V672 HydrophobicContact CG-CG1 4.24Å; A664-V672 CarbonylContact C-O 3.52Å; A664-V672 VanDerWaalsContact CA-O 3.26Å; A664-V672 WeakPolarHBondContact CA-O 3.3Å; C665-V672 PolarHBondContact N-O 3.33Å; C665-V672 PolarHBondContact O-N 3.19Å; N667-V672 HydrophobicContact CB-CG2 4.09Å; V672-E674 HydrophobicContact CG1-CG 4.42Å; V672-E674 WeakPolarHBondContact CG1-OE1 3.48Å; V672-E674 PolarHBondContact O-N 3.32Å; V672-E674 VanDerWaalsContact O-N 3.13Å
673	L	95.8	Very high	84	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	91.7	177.9	-175.8	70.1	0	0	0	109.9	V510 I516 I585 C586 P588 P662 G675 V695	V510-L673 HydrophobicContact CG1-CD2 4.14Å; I516-L673 HydrophobicContact CG2-CD2 3.51Å; I585-L673 HydrophobicContact CB-CB 4.45Å; I585-L673 HydrophobicContact CD1-CB 3.64Å; I585-L673 HydrophobicContact CD1-CD1 4.04Å; I585-L673 HydrophobicContact CD1-CG 4.43Å; I585-L673 HydrophobicContact CG1-CB 3.88Å; I585-L673 HydrophobicContact CG2-CB 3.75Å; I585-L673 HydrophobicContact CG2-CD2 4.17Å; I585-L673 HydrophobicContact CG2-CG 4.38Å; C586-L673 PolarHBondContact O-N 2.88Å; P588-L673 WeakPolarHBondContact CD-O 3.41Å; P662-L673 HydrophobicContact CB-CD1 3.56Å; L673-G675 WeakPolarHBondContact CD1-O 3.42Å; L673-V695 HydrophobicContact CD2-CG2 4.25Å; L673-V695 HydrophobicContact CG-CG2 4.11Å; L673-V695 VanDerWaalsContact O-CB 3.25Å; L673-V695 WeakPolarHBondContact O-CB 3.4Å; L673-V695 WeakPolarHBondContact O-CG1 3.36Å
674	E	93.9	Very high	82.6	Confident	3 Å²	3	45.5 Å²	45.5	1%	0.014	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-28.6	-177.8	-65.3	-66	177.2	0	0	112.6	P588 Y592 V594 M643 L663 C665 V672 V695	P588-E674 WeakPolarHBondContact CB-OE2 3.36Å; Y592-E674 WeakPolarHBondContact CD1-OE1 3.41Å; V594-E674 HydrophobicContact CG2-CB 3.75Å; V594-E674 HydrophobicContact CG2-CG 3.48Å; V594-E674 VanDerWaalsContact CG2-CG 3.48Å; V594-E674 VanDerWaalsContact CG2-OE2 3.28Å; V594-E674 WeakPolarHBondContact CG2-OE2 3.31Å; M643-E674 HydrophobicContact CE-CB 4.22Å; M643-E674 HydrophobicContact SD-CB 4.06Å; L663-E674 PolarHBondContact O-N 3.48Å; C665-E674 HydrophobicContact CB-CB 4.48Å; C665-E674 HydrophobicContact CB-CG 3.68Å; C665-E674 WeakPolarHBondContact SG-CG 3.33Å; V672-E674 HydrophobicContact CG1-CG 4.42Å; V672-E674 WeakPolarHBondContact CG1-OE1 3.48Å; V672-E674 PolarHBondContact O-N 3.32Å; V672-E674 VanDerWaalsContact O-N 3.13Å; E674-V695 PolarHBondContact O-N 2.76Å
675	G	95.3	Very high	81.6	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	160.4	179	0	0	0	0	0	115.6	L663 L673 I693	L663-G675 PolarHBondContact N-O 2.78Å; L663-G675 PolarHBondContact O-N 3.32Å; L663-G675 VanDerWaalsContact O-N 3.12Å; L673-G675 WeakPolarHBondContact CD1-O 3.42Å; G675-I693 WeakPolarHBondContact CA-O 3.31Å
676	V	96.8	Very high	80.9	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	131.9	171.3	176.5	0	0	0	0	109.5	I516 L567 I693 V695	I516-V676 HydrophobicContact CD1-CG2 4.33Å; I516-V676 HydrophobicContact CG1-CG2 4.47Å; L567-V676 HydrophobicContact CD2-CB 3.92Å; L567-V676 HydrophobicContact CD2-CG1 4.15Å; L567-V676 HydrophobicContact CD2-CG2 3.72Å; V676-I693 HydrophobicContact CB-CB 4.33Å; V676-I693 HydrophobicContact CB-CD1 4.28Å; V676-I693 HydrophobicContact CG1-CD1 4.37Å; V676-I693 PolarHBondContact N-O 2.84Å; V676-I693 VanDerWaalsContact N-O 3.1Å; V676-I693 PolarHBondContact O-N 3.36Å; V676-I693 VanDerWaalsContact O-N 3.08Å; V676-V695 HydrophobicContact CG2-CG2 3.78Å
677	I	93	Very high	80.6	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	132	-178.3	-62.6	169.1	0	0	0	110.4	I602 A654 D658 Y659 G660 G661 F692	I602-I677 HydrophobicContact CB-CD1 4.35Å; A654-I677 HydrophobicContact CB-CB 4.45Å; A654-I677 HydrophobicContact CB-CD1 3.89Å; A654-I677 HydrophobicContact CB-CG1 4.16Å; A654-I677 HydrophobicContact CB-CG2 3.41Å; A654-I677 VanDerWaalsContact CB-CG2 3.41Å; D658-I677 HydrophobicContact CB-CD1 4.23Å; D658-I677 HydrophobicContact CB-CG2 4.3Å; Y659-I677 HydrophobicContact CD1-CG2 4.07Å; G660-I677 PolarHBondContact N-O 3.07Å; G661-I677 WeakPolarHBondContact O-CG1 3.48Å; G661-I677 PolarHBondContact O-N 2.87Å; I677-F692 HydrophobicContact CG1-CD1 4.02Å; I677-F692 HydrophobicContact CG1-CE1 3.83Å
678	I	88.8	Confident	81.3	Confident	17 Å²	17	47.3 Å²	47.3	9%	0.087	25%	0.253	C	S	.	.			trans	-125.3	159.7	175.8	54.6	170.8	0	0	0	112.5	M680 I691 I693	I678-M680 PolarHBondContact O-N 3Å; I678-I691 HydrophobicContact CD1-CG2 4.19Å; I678-I691 WeakPolarHBondContact CG1-O 3.33Å; I678-I693 HydrophobicContact CG2-CD1 3.31Å; I678-I693 HydrophobicContact CG2-CG1 3.51Å
679	P	83.1	Confident	82.3	Confident	42 Å²	42	43.9 Å²	43.9	27%	0.273	22%	0.223	S	C	.	.			trans	-60.6	132.2	176	-23.5	34.3	0	0	0	113.9	Q520 Y659	Q520-P679 HydrophobicContact CB-CG 3.77Å; Q520-P679 HydrophobicContact CG-CG 3.95Å; Y659-P679 HydrophobicContact CD1-CB 4.42Å; Y659-P679 HydrophobicContact CD1-CG 4.06Å; Y659-P679 HydrophobicContact CD2-CB 4.4Å; Y659-P679 HydrophobicContact CD2-CG 3.72Å; Y659-P679 VanDerWaalsContact CE1-CA 3.4Å; Y659-P679 HydrophobicContact CE1-CB 4.03Å; Y659-P679 HydrophobicContact CE1-CG 4.15Å; Y659-P679 HydrophobicContact CE2-CB 3.95Å; Y659-P679 HydrophobicContact CE2-CG 3.75Å; Y659-P679 HydrophobicContact CG-CG 3.86Å
680	M	75.4	Confident	83.1	Confident	32 Å²	32	36.4 Å²	36.4	16%	0.158	18%	0.184	C	C	.	.			trans	-118	145.9	173.9	-68	-169.3	71.9	0	0	110.8	F634 I678 R682 P689 N690	F634-M680 HydrophobicContact CZ-CE 4.22Å; I678-M680 PolarHBondContact O-N 3Å; M680-R682 PolarHBondContact O-N 3.27Å; M680-P689 WeakPolarHBondContact CE-O 3.26Å; M680-N690 HydrophobicContact SD-CB 4.18Å
681	R	69.9	Low	83.5	Confident	249 Å²	249	37.2 Å²	37.2	94%	0.94	19%	0.187	S	C	*	.	S	Bend	trans	-58.4	-32.2	177	-70.5	-174.6	179.5	-171.4	-2	113.5
682	R	71.4	Confident	83.7	Confident	151 Å²	151	36.9 Å²	36.9	57%	0.57	19%	0.186	S	C	*	.	S	Bend	trans	-140.6	105.3	175.1	-66	-174.1	-178.2	-166.3	-0.4	107.5	M680 H685	M680-R682 PolarHBondContact O-N 3.27Å; R682-H685 HydrophobicContact CB-CB 4.27Å
683	C	70.9	Confident	83.9	Confident	9 Å²	9	37.1 Å²	37.1	6%	0.061	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	146.2	173.1	60.1	0	0	0	0	111.1	R609 A654 C655 H685	R609-C683 VanDerWaalsContact CZ-O 3.25Å; R609-C683 PolarHBondContact NH1-O 2.98Å; R609-C683 PolarHBondContact NH2-O 3.26Å; R609-C683 PolarHBondContact NH2-SG 2.99Å; A654-C683 WeakPolarHBondContact O-CB 3.41Å; C655-C683 VanDerWaalsContact CA-SG 3.58Å; C655-C683 HydrophobicContact CB-CB 3.84Å; C655-C683 WeakPolarHBondContact CB-SG 3.14Å; C655-C683 WeakPolarHBondContact SG-CB 3.2Å; C655-C683 CovalentContact SG-SG 2.03Å; C655-C683 PolarHBondContact SG-SG 2.85Å; C683-H685 PolarHBondContact O-N 3.24Å; C683-H685 VanDerWaalsContact O-N 3.09Å
684	G	66.4	Low	83.7	Confident	11 Å²	11	38 Å²	38	11%	0.113	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	29.4	172.2	0	0	0	0	0	115.1	G651 P686	G651-G684 CarbonylContact C-O 3.29Å; G651-G684 VanDerWaalsContact C-O 3.29Å; G651-G684 WeakPolarHBondContact CA-O 3.1Å; G651-G684 CarbonylContact O-C 3.47Å; G651-G684 WeakPolarHBondContact O-CA 3.41Å; G684-P686 WeakPolarHBondContact O-CD 3.36Å
685	H	73.1	Confident	83.7	Confident	68 Å²	68	37.9 Å²	37.9	32%	0.315	19%	0.19	S	C	.	.			trans	-77.9	125.1	179.4	-171	-72.1	0	0	0	109.8	R682 C683 G687 Q688	R682-H685 HydrophobicContact CB-CB 4.27Å; C683-H685 PolarHBondContact O-N 3.24Å; C683-H685 VanDerWaalsContact O-N 3.09Å; H685-G687 PolarHBondContact O-N 2.89Å; H685-Q688 HydrophobicContact CB-CB 3.99Å; H685-Q688 WeakPolarHBondContact O-CB 3.46Å; H685-Q688 PolarHBondContact O-N 2.88Å
686	P	74.6	Confident	83.2	Confident	78 Å²	78	37.9 Å²	37.9	51%	0.506	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	131.3	178.1	-26.8	34.4	0	0	0	111.7	G684 Q688	G684-P686 WeakPolarHBondContact O-CD 3.36Å; P686-Q688 PolarHBondContact O-N 3.16Å
687	G	76.1	Confident	82.6	Confident	53 Å²	53	39.4 Å²	39.4	55%	0.546	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	0.5	179.2	0	0	0	0	0	115.8	H685	H685-G687 PolarHBondContact O-N 2.89Å
688	Q	83.8	Confident	82.4	Confident	17 Å²	17	39.7 Å²	39.7	8%	0.079	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-97.3	122.7	171.3	176	170.8	-13	0	0	109.8	Y633 F634 S647 H685 P686	Y633-Q688 HydrophobicContact CD1-CG 4.4Å; Y633-Q688 HydrophobicContact CE1-CB 4.23Å; Y633-Q688 HydrophobicContact CE1-CG 3.61Å; F634-Q688 HydrophobicContact CZ-CG 4.35Å; S647-Q688 WeakPolarHBondContact CB-O 3.07Å; H685-Q688 HydrophobicContact CB-CB 3.99Å; H685-Q688 WeakPolarHBondContact O-CB 3.46Å; H685-Q688 PolarHBondContact O-N 2.88Å; P686-Q688 PolarHBondContact O-N 3.16Å
689	P	87.9	Confident	82.2	Confident	11 Å²	11	38.9 Å²	38.9	7%	0.071	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-64.3	148.1	173.4	-19.2	31.2	0	0	0	112.4	I625 F634 T645 M680	I625-P689 HydrophobicContact CD1-CB 3.65Å; I625-P689 HydrophobicContact CD1-CG 3.82Å; F634-P689 HydrophobicContact CE2-CB 4.17Å; F634-P689 HydrophobicContact CE2-CG 4.44Å; F634-P689 WeakPolarHBondContact CZ-O 3.11Å; T645-P689 CarbonylContact O-C 3.54Å; T645-P689 VanDerWaalsContact O-CA 3.31Å; T645-P689 WeakPolarHBondContact O-CA 3.06Å; T645-P689 WeakPolarHBondContact O-CB 3.42Å; M680-P689 WeakPolarHBondContact CE-O 3.26Å
690	N	86.8	Confident	82	Confident	3 Å²	3	37.7 Å²	37.7	2%	0.016	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	143.8	174.9	-62	-66.5	0	0	0	110	C644 T645 V652 M680 F692	C644-N690 WeakPolarHBondContact CA-O 3.39Å; T645-N690 PolarHBondContact N-O 2.87Å; T645-N690 PolarHBondContact O-N 3.29Å; V652-N690 PolarHBondContact O-ND2 2.85Å; M680-N690 HydrophobicContact SD-CB 4.18Å; N690-F692 HydrophobicContact CB-CE2 3.51Å; N690-F692 HydrophobicContact CB-CZ 3.84Å
691	I	90.6	Very high	82.6	Confident	24 Å²	24	36.3 Å²	36.3	12%	0.123	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	135.5	178.3	-57.5	173	0	0	0	109.2	F634 V638 E642 I678	F634-I691 HydrophobicContact CD1-CD1 4.13Å; F634-I691 HydrophobicContact CD2-CD1 4.01Å; F634-I691 HydrophobicContact CD2-CG1 4.42Å; F634-I691 HydrophobicContact CE1-CD1 3.84Å; F634-I691 HydrophobicContact CE2-CD1 3.7Å; F634-I691 HydrophobicContact CE2-CG1 3.8Å; F634-I691 HydrophobicContact CG-CD1 4.22Å; F634-I691 HydrophobicContact CZ-CD1 3.61Å; F634-I691 HydrophobicContact CZ-CG1 3.93Å; V638-I691 HydrophobicContact CG2-CD1 3.91Å; V638-I691 HydrophobicContact CG2-CG1 4.42Å; E642-I691 HydrophobicContact CB-CG2 3.95Å; E642-I691 HydrophobicContact CG-CG2 4.18Å; I678-I691 HydrophobicContact CD1-CG2 4.19Å; I678-I691 WeakPolarHBondContact CG1-O 3.33Å
692	F	93.3	Very high	83.5	Confident	4 Å²	4	24.5 Å²	24.5	2%	0.018	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	155.1	177	-54.2	-100.7	0	0	0	109.5	I602 E642 M643 T645 L663 I677 N690 R694	I602-F692 HydrophobicContact CG2-CE1 3.72Å; I602-F692 HydrophobicContact CG2-CZ 3.94Å; E642-F692 CarbonylContact C-O 3.43Å; E642-F692 VanDerWaalsContact CA-O 3.3Å; E642-F692 WeakPolarHBondContact CA-O 3.03Å; M643-F692 HydrophobicContact CG-CB 3.98Å; M643-F692 PolarHBondContact N-O 3.07Å; M643-F692 PolarHBondContact O-N 2.8Å; T645-F692 HydrophobicContact CG2-CD2 4.24Å; T645-F692 HydrophobicContact CG2-CE2 3.76Å; T645-F692 VanDerWaalsContact OG1-CE2 3.3Å; T645-F692 WeakPolarHBondContact OG1-CE2 3.4Å; L663-F692 HydrophobicContact CB-CD1 3.88Å; L663-F692 HydrophobicContact CB-CE1 4.11Å; L663-F692 HydrophobicContact CB-CG 4.39Å; L663-F692 HydrophobicContact CD1-CE1 4.25Å; L663-F692 HydrophobicContact CD1-CZ 4.21Å; L663-F692 HydrophobicContact CD2-CB 4.29Å; L663-F692 HydrophobicContact CD2-CD1 4.1Å; L663-F692 HydrophobicContact CD2-CD2 3.83Å; L663-F692 HydrophobicContact CD2-CE1 4.4Å; L663-F692 HydrophobicContact CD2-CE2 4.18Å; L663-F692 HydrophobicContact CD2-CG 3.81Å; L663-F692 HydrophobicContact CD2-CZ 4.46Å; L663-F692 HydrophobicContact CG-CD1 4.45Å; L663-F692 HydrophobicContact CG-CE1 4.5Å; I677-F692 HydrophobicContact CG1-CD1 4.02Å; I677-F692 HydrophobicContact CG1-CE1 3.83Å; N690-F692 HydrophobicContact CB-CE2 3.51Å; N690-F692 HydrophobicContact CB-CZ 3.84Å; F692-R694 PolarHBondContact O-N 2.92Å
693	I	94.6	Very high	84.2	Confident	6 Å²	6	21.5 Å²	21.5	3%	0.031	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	130.1	166.5	-60.2	157.2	0	0	0	107.6	S565 Q566 L567 G675 V676 I678 V695 Y698	S565-I693 WeakPolarHBondContact O-CD1 3.48Å; S565-I693 WeakPolarHBondContact O-CG1 3.36Å; Q566-I693 HydrophobicContact CB-CD1 4.02Å; L567-I693 HydrophobicContact CD1-CG2 3.98Å; L567-I693 HydrophobicContact CD2-CB 4.35Å; L567-I693 HydrophobicContact CD2-CD1 3.68Å; L567-I693 HydrophobicContact CD2-CG2 4Å; L567-I693 HydrophobicContact CG-CD1 4.05Å; L567-I693 HydrophobicContact CG-CG2 3.88Å; G675-I693 WeakPolarHBondContact CA-O 3.31Å; V676-I693 HydrophobicContact CB-CB 4.33Å; V676-I693 HydrophobicContact CB-CD1 4.28Å; V676-I693 HydrophobicContact CG1-CD1 4.37Å; V676-I693 PolarHBondContact N-O 2.84Å; V676-I693 VanDerWaalsContact N-O 3.1Å; V676-I693 PolarHBondContact O-N 3.36Å; V676-I693 VanDerWaalsContact O-N 3.08Å; I678-I693 HydrophobicContact CG2-CD1 3.31Å; I678-I693 HydrophobicContact CG2-CG1 3.51Å; I693-V695 PolarHBondContact O-N 3.4Å; I693-Y698 HydrophobicContact CG2-CD2 3.94Å; I693-Y698 HydrophobicContact CG2-CE2 3.62Å
694	R	93.1	Very high	84.8	Confident	18 Å²	18	21.5 Å²	21.5	7%	0.068	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	110.7	176.9	-177.6	-177.8	-62.1	-82.8	-1	110.2	N627 E640 N641 E642 M643 F692 S696 V697 Y698	N627-R694 PolarHBondContact OD1-NH2 3.28Å; E640-R694 WeakPolarHBondContact O-CD 3.45Å; E640-R694 PolarHBondContact O-NE 3.12Å; E640-R694 VanDerWaalsContact O-NE 3.15Å; N641-R694 WeakPolarHBondContact O-CB 3.07Å; N641-R694 PolarHBondContact O-N 2.67Å; E642-R694 PolarHBondContact O-NE 3.11Å; E642-R694 PolarHBondContact O-NH2 2.86Å; E642-R694 VanDerWaalsContact O-NH2 3.11Å; M643-R694 HydrophobicContact CB-CB 4.28Å; M643-R694 VanDerWaalsContact CB-NH2 3.32Å; F692-R694 PolarHBondContact O-N 2.92Å; R694-S696 WeakPolarHBondContact CG-OG 3.44Å; R694-S696 PolarHBondContact O-N 3.19Å; R694-V697 HydrophobicContact CB-CG2 4.39Å; R694-V697 HydrophobicContact CG-CG2 4.12Å; R694-V697 PolarHBondContact O-N 2.87Å; R694-Y698 VanDerWaalsContact O-CD2 3.29Å; R694-Y698 WeakPolarHBondContact O-CD2 3.37Å
695	V	92.6	Very high	85.8	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-68	-36	-173.5	171.6	0	0	0	0	112.4	L587 P588 L673 E674 V676 I693 V697 Y698 V699 I702	L587-V695 HydrophobicContact CD2-CG1 4.11Å; P588-V695 HydrophobicContact CG-CB 4.36Å; P588-V695 HydrophobicContact CG-CG1 4.1Å; L673-V695 HydrophobicContact CD2-CG2 4.25Å; L673-V695 HydrophobicContact CG-CG2 4.11Å; L673-V695 VanDerWaalsContact O-CB 3.25Å; L673-V695 WeakPolarHBondContact O-CB 3.4Å; L673-V695 WeakPolarHBondContact O-CG1 3.36Å; E674-V695 PolarHBondContact O-N 2.76Å; V676-V695 HydrophobicContact CG2-CG2 3.78Å; I693-V695 PolarHBondContact O-N 3.4Å; V695-V697 PolarHBondContact O-N 2.83Å; V695-Y698 WeakPolarHBondContact O-CA 3.39Å; V695-Y698 PolarHBondContact O-N 3.31Å; V695-V699 HydrophobicContact CG1-CG2 4.3Å; V695-V699 WeakPolarHBondContact O-CG2 3.03Å; V695-V699 PolarHBondContact O-N 3.22Å; V695-I702 HydrophobicContact CG1-CD1 3.87Å
696	S	84.1	Confident	86.6	Confident	1 Å²	1	20 Å²	20	1%	0.007	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-56.1	-25	-179.1	66	0	0	0	0	114.3	P589 R591 Y592 R694 Y698	P589-S696 WeakPolarHBondContact O-CB 3.27Å; R591-S696 PolarHBondContact N-O 3.41Å; Y592-S696 WeakPolarHBondContact O-CB 3.34Å; Y592-S696 PolarHBondContact O-OG 3.39Å; R694-S696 WeakPolarHBondContact CG-OG 3.44Å; R694-S696 PolarHBondContact O-N 3.19Å; S696-Y698 VanDerWaalsContact C-N 3.26Å; S696-Y698 PolarHBondContact O-N 3.15Å
697	V	85	Confident	86.9	Confident	32 Å²	32	22.8 Å²	22.8	19%	0.194	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-72.3	-21.4	175.9	176.1	0	0	0	0	112.3	H428 N641 R694 V695	H428-V697 PolarHBondContact CE1-O 2.83Å; H428-V697 PolarHBondContact NE2-O 3.25Å; N641-V697 HydrophobicContact CB-CG1 4.22Å; R694-V697 HydrophobicContact CB-CG2 4.39Å; R694-V697 HydrophobicContact CG-CG2 4.12Å; R694-V697 PolarHBondContact O-N 2.87Å; V695-V697 PolarHBondContact O-N 2.83Å
698	Y	88.4	Confident	86.7	Confident	8 Å²	8	20.8 Å²	20.8	3%	0.031	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-116.6	7.6	-170.2	-59.1	-67	0	0	0	114	H428 P562 S565 L567 N641 I693 R694 V695 S696 D700 W701 I702	H428-Y698 AromaticContact CE1-CD1 3.98Å; H428-Y698 AromaticContact NE2-CD1 3.23Å; H428-Y698 WeakPolarHBondContact NE2-CD1 3.39Å; H428-Y698 AromaticContact NE2-CE1 3.61Å; P562-Y698 HydrophobicContact CB-CD1 4.34Å; P562-Y698 HydrophobicContact CB-CE1 4.09Å; P562-Y698 HydrophobicContact CG-CD1 3.95Å; P562-Y698 HydrophobicContact CG-CE1 4.21Å; S565-Y698 VanDerWaalsContact CA-OH 3.27Å; S565-Y698 WeakPolarHBondContact CA-OH 3.47Å; S565-Y698 WeakPolarHBondContact CB-OH 3.45Å; L567-Y698 HydrophobicContact CD1-CD1 4.4Å; L567-Y698 HydrophobicContact CD1-CD2 3.4Å; L567-Y698 VanDerWaalsContact CD1-CD2 3.4Å; L567-Y698 HydrophobicContact CD1-CE2 4.14Å; L567-Y698 HydrophobicContact CD1-CG 3.56Å; N641-Y698 HydrophobicContact CB-CE2 4.23Å; N641-Y698 VanDerWaalsContact CB-OH 3.28Å; N641-Y698 WeakPolarHBondContact CB-OH 3.11Å; N641-Y698 PolarHBondContact ND2-OH 3.37Å; I693-Y698 HydrophobicContact CG2-CD2 3.94Å; I693-Y698 HydrophobicContact CG2-CE2 3.62Å; R694-Y698 VanDerWaalsContact O-CD2 3.29Å; R694-Y698 WeakPolarHBondContact O-CD2 3.37Å; V695-Y698 WeakPolarHBondContact O-CA 3.39Å; V695-Y698 PolarHBondContact O-N 3.31Å; S696-Y698 VanDerWaalsContact C-N 3.26Å; S696-Y698 PolarHBondContact O-N 3.15Å; Y698-D700 PolarHBondContact O-N 3.38Å; Y698-W701 WeakPolarHBondContact O-CB 3.23Å; Y698-W701 PolarHBondContact O-N 3.16Å; Y698-I702 WeakPolarHBondContact O-CD1 3.43Å; Y698-I702 VanDerWaalsContact O-CG1 3.22Å; Y698-I702 WeakPolarHBondContact O-CG1 3.38Å; Y698-I702 PolarHBondContact O-N 2.94Å
699	V	84.5	Confident	85.6	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-63.5	-41.9	-172.3	167.8	0	0	0	0	112.9	L587 P588 E590 V695 I702 K703	L587-V699 HydrophobicContact CB-CG1 4.47Å; L587-V699 HydrophobicContact CB-CG2 4.47Å; P588-V699 HydrophobicContact CG-CG2 3.99Å; P588-V699 WeakPolarHBondContact O-CG2 3.17Å; E590-V699 HydrophobicContact CG-CB 3.77Å; E590-V699 HydrophobicContact CG-CG1 3.83Å; V695-V699 HydrophobicContact CG1-CG2 4.3Å; V695-V699 WeakPolarHBondContact O-CG2 3.03Å; V695-V699 PolarHBondContact O-N 3.22Å; V699-I702 PolarHBondContact O-N 2.83Å; V699-K703 HydrophobicContact CG1-CD 4.07Å; V699-K703 HydrophobicContact CG1-CG 4.43Å; V699-K703 WeakPolarHBondContact O-CB 3.37Å; V699-K703 WeakPolarHBondContact O-CG 3.35Å; V699-K703 PolarHBondContact O-N 3.45Å
700	D	79.3	Confident	85.5	Confident	17 Å²	17	23.2 Å²	23.2	9%	0.091	12%	0.12	C	C	.	.	H	α-helix	trans	-58.6	-46.4	173.1	60.3	-31.2	0	0	0	111.6	Q427 H428 Y698 I702 K703 K704	Q427-D700 WeakPolarHBondContact CA-OD2 3.46Å; Q427-D700 VanDerWaalsContact CB-OD2 3.29Å; Q427-D700 WeakPolarHBondContact CB-OD2 3.46Å; Q427-D700 PolarHBondContact N-OD2 3.11Å; H428-D700 IonicContact CE1-OD1 3.84Å; H428-D700 PolarHBondContact CE1-OD1 3.28Å; H428-D700 IonicContact CE1-OD2 2.7Å; H428-D700 IonicContact CG-OD2 2.94Å; H428-D700 VanDerWaalsContact ND1-CG 3.29Å; H428-D700 IonicContact ND1-OD1 3.13Å; H428-D700 PolarHBondContact ND1-OD1 2.82Å; H428-D700 IonicContact ND1-OD2 2.68Å; H428-D700 PolarHBondContact ND1-OD2 2.89Å; Y698-D700 PolarHBondContact O-N 3.38Å; D700-I702 PolarHBondContact O-N 2.64Å; D700-K703 PolarHBondContact O-N 3.31Å; D700-K704 VanDerWaalsContact O-CB 3.29Å; D700-K704 WeakPolarHBondContact O-CB 3.4Å; D700-K704 PolarHBondContact O-N 3.38Å
701	W	87.5	Confident	85.4	Confident	3 Å²	3	24.2 Å²	24.2	1%	0.011	13%	0.125	C	C	.	.	H	α-helix	trans	-60.9	-45	174.3	168.7	66.8	0	0	0	111.6	Y443 V559 G561 P562 L567 M569 Y698 K704 V705	Y443-W701 AromaticContact CE2-CD1 3.52Å; Y443-W701 HydrophobicContact CE2-CG 4.32Å; Y443-W701 AromaticContact CZ-CD1 3.92Å; Y443-W701 WeakPolarHBondContact OH-CB 3.32Å; V559-W701 HydrophobicContact CG1-CZ2 4.25Å; G561-W701 VanDerWaalsContact CA-CE2 3.48Å; G561-W701 VanDerWaalsContact CA-CH2 3.48Å; P562-W701 HydrophobicContact CG-CB 4.16Å; P562-W701 HydrophobicContact CG-CD2 4.25Å; P562-W701 HydrophobicContact CG-CG 3.88Å; L567-W701 HydrophobicContact CB-CH2 4.22Å; L567-W701 HydrophobicContact CB-CZ3 3.87Å; L567-W701 HydrophobicContact CD1-CZ3 4.15Å; M569-W701 HydrophobicContact CB-CH2 4.09Å; M569-W701 HydrophobicContact CB-CZ2 4.42Å; M569-W701 HydrophobicContact CG-CH2 3.41Å; M569-W701 VanDerWaalsContact CG-CH2 3.41Å; M569-W701 HydrophobicContact CG-CZ2 4.02Å; M569-W701 HydrophobicContact CG-CZ3 3.87Å; Y698-W701 WeakPolarHBondContact O-CB 3.23Å; Y698-W701 PolarHBondContact O-N 3.16Å; W701-K704 PolarHBondContact O-N 3.36Å; W701-V705 HydrophobicContact CD2-CG2 4.33Å; W701-V705 HydrophobicContact CZ2-CG2 3.84Å; W701-V705 WeakPolarHBondContact O-CG2 3.27Å; W701-V705 PolarHBondContact O-N 2.79Å
702	I	89.6	Confident	85.1	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.5	-49.4	179.3	-66.5	160.5	0	0	0	110	I516 M569 L587 V695 Y698 V699 D700 K704 V705 M706	I516-I702 HydrophobicContact CD1-CD1 3.53Å; I516-I702 HydrophobicContact CD1-CG1 3.99Å; M569-I702 HydrophobicContact CE-CG2 3.92Å; M569-I702 HydrophobicContact SD-CG2 4.09Å; L587-I702 HydrophobicContact CD1-CB 4.33Å; L587-I702 HydrophobicContact CD1-CG2 3.62Å; L587-I702 HydrophobicContact CD2-CD1 4.22Å; L587-I702 HydrophobicContact CD2-CG2 4.34Å; V695-I702 HydrophobicContact CG1-CD1 3.87Å; Y698-I702 WeakPolarHBondContact O-CD1 3.43Å; Y698-I702 VanDerWaalsContact O-CG1 3.22Å; Y698-I702 WeakPolarHBondContact O-CG1 3.38Å; Y698-I702 PolarHBondContact O-N 2.94Å; V699-I702 PolarHBondContact O-N 2.83Å; D700-I702 PolarHBondContact O-N 2.64Å; I702-K704 VanDerWaalsContact C-N 3.35Å; I702-K704 PolarHBondContact O-N 3.01Å; I702-V705 PolarHBondContact O-N 3.18Å; I702-M706 HydrophobicContact CG2-CE 4.02Å; I702-M706 HydrophobicContact CG2-SD 4.37Å; I702-M706 WeakPolarHBondContact O-CG 3.44Å; I702-M706 PolarHBondContact O-N 3.16Å; I702-M706 VanDerWaalsContact O-N 3.08Å
703	K	86.9	Confident	84.6	Confident	89 Å²	89	25.4 Å²	25.4	39%	0.387	13%	0.131	S	C	.	.	H	α-helix	trans	-57.4	-47.5	177	-74.3	174.3	-179.2	171.1	0	111.6	E590 V699 D700 V705 M706 E707	E590-K703 IonicContact OE1-NZ 2.86Å; V699-K703 HydrophobicContact CG1-CD 4.07Å; V699-K703 HydrophobicContact CG1-CG 4.43Å; V699-K703 WeakPolarHBondContact O-CB 3.37Å; V699-K703 WeakPolarHBondContact O-CG 3.35Å; V699-K703 PolarHBondContact O-N 3.45Å; D700-K703 PolarHBondContact O-N 3.31Å; K703-V705 PolarHBondContact O-N 3.29Å; K703-M706 HydrophobicContact CG-CE 4.22Å; K703-M706 WeakPolarHBondContact O-CB 3.38Å; K703-M706 PolarHBondContact O-N 3.43Å; K703-M706 VanDerWaalsContact O-N 3.11Å; K703-E707 WeakPolarHBondContact O-CG 3.48Å; K703-E707 PolarHBondContact O-N 3.37Å
704	K	83.3	Confident	84	Confident	8 Å²	8	26.6 Å²	26.6	4%	0.035	14%	0.138	C	C	.	.	H	α-helix	trans	-59	-43.7	176.8	-179.2	176	-173.4	155.5	0	113.2	D424 D426 W431 F441 D700 W701 I702 M706 E707 M708	D424-K704 IonicContact OD1-NZ 3.52Å; D424-K704 VanDerWaalsContact OD2-CE 3.25Å; D424-K704 WeakPolarHBondContact OD2-CE 3.29Å; D424-K704 IonicContact OD2-NZ 3.76Å; D424-K704 PolarHBondContact OD2-NZ 2.8Å; D426-K704 WeakPolarHBondContact OD2-CD 3.47Å; D426-K704 IonicContact OD2-NZ 3.62Å; D426-K704 PolarHBondContact OD2-NZ 3.19Å; W431-K704 VanDerWaalsContact CG-NZ 3.29Å; F441-K704 HydrophobicContact CD2-CD 4.45Å; F441-K704 HydrophobicContact CE1-CG 4.27Å; F441-K704 HydrophobicContact CE2-CD 3.71Å; F441-K704 VanDerWaalsContact CE2-CE 3.49Å; F441-K704 HydrophobicContact CE2-CG 4.13Å; F441-K704 HydrophobicContact CZ-CD 3.84Å; F441-K704 HydrophobicContact CZ-CG 3.75Å; D700-K704 VanDerWaalsContact O-CB 3.29Å; D700-K704 WeakPolarHBondContact O-CB 3.4Å; D700-K704 PolarHBondContact O-N 3.38Å; W701-K704 PolarHBondContact O-N 3.36Å; I702-K704 VanDerWaalsContact C-N 3.35Å; I702-K704 PolarHBondContact O-N 3.01Å; K704-M706 VanDerWaalsContact C-N 3.29Å; K704-M706 PolarHBondContact O-N 3.29Å; K704-E707 PolarHBondContact O-N 3.23Å; K704-M708 HydrophobicContact CD-SD 4.15Å; K704-M708 VanDerWaalsContact CE-SD 3.59Å; K704-M708 HydrophobicContact CG-CG 3.97Å; K704-M708 HydrophobicContact CG-SD 3.54Å; K704-M708 VanDerWaalsContact CG-SD 3.54Å; K704-M708 VanDerWaalsContact O-CB 3.26Å; K704-M708 WeakPolarHBondContact O-CB 3.49Å; K704-M708 VanDerWaalsContact O-CG 3.23Å; K704-M708 WeakPolarHBondContact O-CG 2.99Å; K704-M708 PolarHBondContact O-N 2.86Å
705	V	87.6	Confident	83.4	Confident	3 Å²	3	27.2 Å²	27.2	2%	0.018	14%	0.142	C	C	.	.	H	α-helix	trans	-60.6	-42.2	175.7	172.2	0	0	0	0	111.1	F441 W514 V559 M569 W701 I702 K703 E707 A709	F441-V705 HydrophobicContact CE1-CG2 4.07Å; F441-V705 HydrophobicContact CZ-CG2 3.79Å; W514-V705 HydrophobicContact CD2-CG1 4.49Å; W514-V705 HydrophobicContact CE3-CG1 4.11Å; W514-V705 HydrophobicContact CH2-CG1 3.78Å; W514-V705 HydrophobicContact CZ2-CG1 4.24Å; W514-V705 HydrophobicContact CZ3-CG1 3.71Å; V559-V705 HydrophobicContact CB-CG1 4.13Å; V559-V705 HydrophobicContact CG1-CG1 4.21Å; V559-V705 HydrophobicContact CG1-CG2 3.84Å; V559-V705 HydrophobicContact CG2-CG1 4.1Å; M569-V705 HydrophobicContact CB-CG1 3.87Å; M569-V705 HydrophobicContact CE-CB 4.45Å; M569-V705 HydrophobicContact CE-CG1 4.18Å; M569-V705 HydrophobicContact CG-CG1 4.2Å; W701-V705 HydrophobicContact CD2-CG2 4.33Å; W701-V705 HydrophobicContact CZ2-CG2 3.84Å; W701-V705 WeakPolarHBondContact O-CG2 3.27Å; W701-V705 PolarHBondContact O-N 2.79Å; I702-V705 PolarHBondContact O-N 3.18Å; K703-V705 PolarHBondContact O-N 3.29Å; V705-E707 VanDerWaalsContact C-N 3.32Å; V705-E707 PolarHBondContact O-N 3.4Å; V705-A709 PolarHBondContact O-N 2.8Å
706	M	88.2	Confident	82.7	Confident	44 Å²	44	29.1 Å²	29.1	22%	0.217	15%	0.153	C	C	.	.	H	α-helix	trans	-66	-34.8	177.6	-65.1	-174.9	-59.8	0	0	112.4	V510 N511 W514 M569 L587 I702 K703 K704	V510-M706 HydrophobicContact CG2-SD 4Å; N511-M706 HydrophobicContact CB-SD 3.99Å; N511-M706 WeakPolarHBondContact ND2-CG 3.32Å; N511-M706 PolarHBondContact ND2-SD 3.05Å; W514-M706 HydrophobicContact CB-CG 4.27Å; W514-M706 HydrophobicContact CG-CG 3.99Å; M569-M706 HydrophobicContact CE-CG 3.66Å; M569-M706 HydrophobicContact CE-SD 4.33Å; L587-M706 HydrophobicContact CD1-CE 4Å; I702-M706 HydrophobicContact CG2-CE 4.02Å; I702-M706 HydrophobicContact CG2-SD 4.37Å; I702-M706 WeakPolarHBondContact O-CG 3.44Å; I702-M706 PolarHBondContact O-N 3.16Å; I702-M706 VanDerWaalsContact O-N 3.08Å; K703-M706 HydrophobicContact CG-CE 4.22Å; K703-M706 WeakPolarHBondContact O-CB 3.38Å; K703-M706 PolarHBondContact O-N 3.43Å; K703-M706 VanDerWaalsContact O-N 3.11Å; K704-M706 VanDerWaalsContact C-N 3.29Å; K704-M706 PolarHBondContact O-N 3.29Å
707	E	82.6	Confident	82.6	Confident	138 Å²	138	31.3 Å²	31.3	65%	0.645	16%	0.164	S	C	*	.	H	α-helix	trans	-81.8	-27.3	-179.7	-74.9	177.1	-171.3	0	0	114.3	R404 K703 K704 V705	R404-E707 PolarHBondContact NH1-O 3.22Å; K703-E707 WeakPolarHBondContact O-CG 3.48Å; K703-E707 PolarHBondContact O-N 3.37Å; K704-E707 PolarHBondContact O-N 3.23Å; V705-E707 VanDerWaalsContact C-N 3.32Å; V705-E707 PolarHBondContact O-N 3.4Å
708	M	70.7	Confident	82.4	Confident	11 Å²	11	31.3 Å²	31.3	5%	0.054	16%	0.161	C	C	.	.	H	α-helix	trans	-89.9	-16.7	-174.2	-72.5	-168.5	73.9	0	0	113.7	R404 W431 Y433 E440 F441 K704	R404-M708 PolarHBondContact NE-O 2.86Å; R404-M708 VanDerWaalsContact NH1-C 3.35Å; R404-M708 PolarHBondContact NH1-O 3.05Å; R404-M708 PolarHBondContact NH2-O 3.29Å; W431-M708 HydrophobicContact CH2-CE 3.69Å; W431-M708 HydrophobicContact CH2-SD 4.14Å; W431-M708 HydrophobicContact CZ3-CE 3.63Å; W431-M708 HydrophobicContact CZ3-SD 4.26Å; Y433-M708 HydrophobicContact CD1-CE 4.03Å; Y433-M708 HydrophobicContact CE1-CE 3.26Å; E440-M708 VanDerWaalsContact OE2-O 3.06Å; F441-M708 HydrophobicContact CB-CE 3.86Å; F441-M708 HydrophobicContact CB-SD 4.3Å; F441-M708 HydrophobicContact CD1-CB 4.21Å; F441-M708 HydrophobicContact CD1-CE 3.76Å; F441-M708 HydrophobicContact CD1-CG 4.41Å; F441-M708 HydrophobicContact CD1-SD 3.35Å; F441-M708 WeakPolarHBondContact CD1-SD 3.34Å; F441-M708 HydrophobicContact CD2-SD 4.23Å; F441-M708 HydrophobicContact CE1-CB 4.14Å; F441-M708 HydrophobicContact CE1-CG 4.36Å; F441-M708 HydrophobicContact CE1-SD 3.59Å; F441-M708 VanDerWaalsContact CE1-SD 3.59Å; F441-M708 HydrophobicContact CE2-SD 4.44Å; F441-M708 HydrophobicContact CG-CE 3.91Å; F441-M708 HydrophobicContact CG-SD 3.7Å; F441-M708 HydrophobicContact CZ-SD 4.14Å; K704-M708 HydrophobicContact CD-SD 4.15Å; K704-M708 VanDerWaalsContact CE-SD 3.59Å; K704-M708 HydrophobicContact CG-CG 3.97Å; K704-M708 HydrophobicContact CG-SD 3.54Å; K704-M708 VanDerWaalsContact CG-SD 3.54Å; K704-M708 VanDerWaalsContact O-CB 3.26Å; K704-M708 WeakPolarHBondContact O-CB 3.49Å; K704-M708 VanDerWaalsContact O-CG 3.23Å; K704-M708 WeakPolarHBondContact O-CG 2.99Å; K704-M708 PolarHBondContact O-N 2.86Å
709	A	60.8	Low	81.9	Confident	54 Å²	54	33.4 Å²	33.4	45%	0.446	17%	0.173	S	C	.	.			trans	-91.4	0	-174.1	0	0	0	0	0	115.7	R404 W514 V705	R404-A709 PolarHBondContact NH1-O 3.02Å; R404-A709 VanDerWaalsContact NH2-C 3.28Å; R404-A709 PolarHBondContact NH2-O 3.08Å; W514-A709 HydrophobicContact CH2-CB 4.05Å; W514-A709 HydrophobicContact CZ2-CB 3.28Å; V705-A709 PolarHBondContact O-N 2.8Å

Retrieved 709 of 709 residues in 524.7 ms (Link to these results)

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